Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
622856 | 5y22 RC | 36109 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 HT1 LEU 1 -10.990 6.794 -0.301
2 H2 LEU 1 HT2 LEU 1 -10.285 6.850 1.232
3 H3 LEU 1 HT3 LEU 1 -10.440 8.264 0.327
4 HA LEU 1 HA LEU 1 -12.083 8.212 2.053
5 HB2 LEU 1 HB2 LEU 1 -12.645 9.263 -0.091
6 HB3 LEU 1 HB1 LEU 1 -13.257 7.730 -0.684
7 HG LEU 1 HG LEU 1 -15.008 7.775 1.064
8 HD11 LEU 1 HD11 LEU 1 -13.912 10.523 1.642
9 HD12 LEU 1 HD12 LEU 1 -13.878 9.133 2.726
10 HD13 LEU 1 HD13 LEU 1 -15.418 9.866 2.280
11 HD21 LEU 1 HD21 LEU 1 -15.510 8.589 -1.153
12 HD22 LEU 1 HD22 LEU 1 -14.881 10.183 -0.738
13 HD23 LEU 1 HD23 LEU 1 -16.337 9.578 0.051
14 H ARG 2 HN ARG 2 -12.951 5.664 -0.307
15 HA ARG 2 HA ARG 2 -14.450 4.277 1.747
16 HB2 ARG 2 HB2 ARG 2 -15.167 4.463 -0.683
17 HB3 ARG 2 HB1 ARG 2 -13.870 3.326 -1.038
18 HG2 ARG 2 HG2 ARG 2 -14.911 1.576 0.049
19 HG3 ARG 2 HG1 ARG 2 -15.938 2.647 1.002
20 HD2 ARG 2 HD2 ARG 2 -17.174 1.456 -0.777
21 HD3 ARG 2 HD1 ARG 2 -17.246 3.208 -0.931
22 HE ARG 2 HE ARG 2 -15.283 1.704 -2.509
23 HH11 ARG 2 HH11 ARG 2 -18.182 3.657 -2.358
24 HH12 ARG 2 HH12 ARG 2 -18.190 4.002 -4.057
25 HH21 ARG 2 HH21 ARG 2 -15.297 2.154 -4.757
26 HH22 ARG 2 HH22 ARG 2 -16.554 3.152 -5.418
27 H LEU 3 HN LEU 3 -14.082 2.154 2.377
28 HA LEU 3 HA LEU 3 -11.536 1.800 3.316
29 HB2 LEU 3 HB2 LEU 3 -12.351 -0.608 3.787
30 HB3 LEU 3 HB1 LEU 3 -13.070 0.752 4.630
31 HG LEU 3 HG LEU 3 -14.910 0.664 2.846
32 HD11 LEU 3 HD11 LEU 3 -15.263 -1.469 1.761
33 HD12 LEU 3 HD12 LEU 3 -13.757 -2.086 2.437
34 HD13 LEU 3 HD13 LEU 3 -13.721 -0.776 1.260
35 HD21 LEU 3 HD21 LEU 3 -14.568 -1.615 4.774
36 HD22 LEU 3 HD22 LEU 3 -16.089 -1.098 4.045
37 HD23 LEU 3 HD23 LEU 3 -15.228 -0.023 5.145
38 H ILE 4 HN ILE 4 -12.877 0.527 0.385
39 HA ILE 4 HA ILE 4 -10.995 -1.477 -0.078
40 HB ILE 4 HB ILE 4 -12.481 0.248 -2.064
41 HG12 ILE 4 HG12 ILE 4 -13.927 -1.147 -0.683
42 HG13 ILE 4 HG11 ILE 4 -13.894 -1.758 -2.330
43 HG21 ILE 4 HG21 ILE 4 -10.914 -2.273 -2.584
44 HG22 ILE 4 HG22 ILE 4 -10.467 -0.650 -3.104
45 HG23 ILE 4 HG23 ILE 4 -11.914 -1.416 -3.757
46 HD11 ILE 4 HD11 ILE 4 -13.816 -3.591 -0.786
47 HD12 ILE 4 HD12 ILE 4 -12.421 -2.893 0.032
48 HD13 ILE 4 HD13 ILE 4 -12.271 -3.474 -1.627
49 H HIS 5 HN HIS 5 -10.898 1.989 -0.778
50 HA HIS 5 HA HIS 5 -8.323 1.828 -2.059
51 HB2 HIS 5 HB2 HIS 5 -10.028 4.143 -1.155
52 HB3 HIS 5 HB1 HIS 5 -8.420 4.367 -1.826
53 HD1 HIS 5 HD1 HIS 5 -8.569 5.045 -4.183
54 HD2 HIS 5 HD2 HIS 5 -11.573 2.359 -3.162
55 HE1 HIS 5 HE1 HIS 5 -9.918 4.706 -6.275
56 HE2 HIS 5 HE2 HIS 5 -11.829 3.228 -5.582
57 H ALA 6 HN ALA 6 -9.531 2.209 1.146
58 HA ALA 6 HA ALA 6 -7.180 3.332 2.296
59 HB1 ALA 6 HB1 ALA 6 -9.398 3.477 3.362
60 HB2 ALA 6 HB2 ALA 6 -8.183 2.776 4.431
61 HB3 ALA 6 HB3 ALA 6 -9.362 1.735 3.635
62 H VAL 7 HN VAL 7 -8.491 0.027 2.094
63 HA VAL 7 HA VAL 7 -6.227 -1.112 3.399
64 HB VAL 7 HB VAL 7 -8.381 -2.230 3.530
65 HG11 VAL 7 HG11 VAL 7 -9.311 -1.680 1.378
66 HG12 VAL 7 HG12 VAL 7 -9.301 -3.433 1.590
67 HG13 VAL 7 HG13 VAL 7 -8.090 -2.663 0.565
68 HG21 VAL 7 HG21 VAL 7 -7.655 -4.514 3.017
69 HG22 VAL 7 HG22 VAL 7 -6.380 -3.578 3.798
70 HG23 VAL 7 HG23 VAL 7 -6.323 -3.868 2.059
71 H ARG 8 HN ARG 8 -7.183 -0.743 -0.012
72 HA ARG 8 HA ARG 8 -5.061 -2.173 -1.140
73 HB2 ARG 8 HB2 ARG 8 -6.942 -0.105 -2.062
74 HB3 ARG 8 HB1 ARG 8 -5.417 -0.150 -2.933
75 HG2 ARG 8 HG2 ARG 8 -7.043 -1.504 -4.072
76 HG3 ARG 8 HG1 ARG 8 -5.779 -2.531 -3.401
77 HD2 ARG 8 HD2 ARG 8 -7.192 -3.209 -1.596
78 HD3 ARG 8 HD1 ARG 8 -8.424 -2.037 -2.058
79 HE ARG 8 HE ARG 8 -7.974 -3.734 -4.234
80 HH11 ARG 8 HH11 ARG 8 -9.231 -3.930 -0.976
81 HH12 ARG 8 HH12 ARG 8 -10.379 -5.172 -1.353
82 HH21 ARG 8 HH21 ARG 8 -9.509 -5.351 -4.744
83 HH22 ARG 8 HH22 ARG 8 -10.534 -5.978 -3.494
84 H GLY 9 HN GLY 9 -5.311 1.327 -0.580
85 HA2 GLY 9 HA2 GLY 9 -2.715 2.025 -1.264
86 HA3 GLY 9 HA1 GLY 9 -3.714 2.905 -0.116
87 H TYR 10 HN TYR 10 -3.960 0.698 1.730
88 HA TYR 10 HA TYR 10 -1.795 1.107 3.407
89 HB2 TYR 10 HB2 TYR 10 -3.689 0.258 4.459
90 HB3 TYR 10 HB1 TYR 10 -3.920 -0.997 3.248
91 HD1 TYR 10 HD1 TYR 10 -3.533 -3.148 3.936
92 HD2 TYR 10 HD2 TYR 10 -1.310 -0.011 5.754
93 HE1 TYR 10 HE1 TYR 10 -2.420 -4.788 5.389
94 HE2 TYR 10 HE2 TYR 10 -0.194 -1.644 7.214
95 HH TYR 10 HH TYR 10 -0.624 -3.911 8.111
96 H TRP 11 HN TRP 11 -2.408 -1.884 1.488
97 HA TRP 11 HA TRP 11 0.210 -2.808 2.201
98 HB2 TRP 11 HB2 TRP 11 -0.275 -4.799 0.899
99 HB3 TRP 11 HB1 TRP 11 -1.612 -4.402 1.956
100 HD1 TRP 11 HD1 TRP 11 -3.901 -3.616 0.814
101 HE1 TRP 11 HE1 TRP 11 -4.836 -4.040 -1.545
102 HE3 TRP 11 HE3 TRP 11 0.418 -4.996 -1.525
103 HZ2 TRP 11 HZ2 TRP 11 -3.862 -4.858 -4.072
104 HZ3 TRP 11 HZ3 TRP 11 0.336 -5.596 -3.911
105 HH2 TRP 11 HH2 TRP 11 -1.762 -5.525 -5.156
106 H LEU 12 HN LEU 12 -1.196 -1.268 -0.596
107 HA LEU 12 HA LEU 12 0.848 -1.720 -2.442
108 HB2 LEU 12 HB2 LEU 12 -1.038 0.603 -2.114
109 HB3 LEU 12 HB1 LEU 12 0.037 0.421 -3.485
110 HG LEU 12 HG LEU 12 -2.064 -1.606 -2.720
111 HD11 LEU 12 HD11 LEU 12 -3.120 0.503 -3.349
112 HD12 LEU 12 HD12 LEU 12 -3.349 -0.706 -4.614
113 HD13 LEU 12 HD13 LEU 12 -2.147 0.570 -4.819
114 HD21 LEU 12 HD21 LEU 12 -0.376 -1.253 -5.200
115 HD22 LEU 12 HD22 LEU 12 -1.671 -2.434 -5.005
116 HD23 LEU 12 HD23 LEU 12 -0.224 -2.535 -4.001
117 H THR 13 HN THR 13 0.668 0.561 0.218
118 HA THR 13 HA THR 13 3.098 1.909 -0.659
119 HB THR 13 HB THR 13 2.804 3.244 1.458
120 HG1 THR 13 HG1 THR 13 0.219 2.061 1.558
121 HG21 THR 13 HG21 THR 13 0.875 4.515 0.614
122 HG22 THR 13 HG22 THR 13 0.487 3.181 -0.474
123 HG23 THR 13 HG23 THR 13 1.991 4.078 -0.680
124 H ASN 14 HN ASN 14 2.354 -0.851 1.032
125 HA ASN 14 HA ASN 14 4.600 -0.599 2.899
126 HB2 ASN 14 HB2 ASN 14 2.195 -2.358 2.770
127 HB3 ASN 14 HB1 ASN 14 3.587 -2.864 3.718
128 HD21 ASN 14 HD21 ASN 14 2.635 0.477 3.328
129 HD22 ASN 14 HD22 ASN 14 2.117 0.722 4.959
130 H LYS 15 HN LYS 15 3.498 -2.500 0.149
131 HA LYS 15 HA LYS 15 5.506 -4.507 0.256
132 HB2 LYS 15 HB2 LYS 15 4.150 -3.405 -2.212
133 HB3 LYS 15 HB1 LYS 15 4.938 -4.967 -2.057
134 HG2 LYS 15 HG2 LYS 15 2.481 -4.093 -0.572
135 HG3 LYS 15 HG1 LYS 15 2.502 -5.136 -1.998
136 HD2 LYS 15 HD2 LYS 15 3.877 -6.765 -0.751
137 HD3 LYS 15 HD1 LYS 15 3.769 -5.733 0.676
138 HE2 LYS 15 HE2 LYS 15 1.346 -5.997 0.690
139 HE3 LYS 15 HE1 LYS 15 1.439 -7.009 -0.751
140 HZ1 LYS 15 HZ1 LYS 15 1.253 -8.371 1.205
141 HZ2 LYS 15 HZ2 LYS 15 2.598 -7.627 1.911
142 HZ3 LYS 15 HZ3 LYS 15 2.789 -8.583 0.532
143 H VAL 16 HN VAL 16 5.438 -1.262 -0.733
144 HA VAL 16 HA VAL 16 7.956 -1.391 -2.178
145 HB VAL 16 HB VAL 16 6.412 -0.014 -3.282
146 HG11 VAL 16 HG11 VAL 16 5.040 1.680 -2.188
147 HG12 VAL 16 HG12 VAL 16 5.769 1.276 -0.633
148 HG13 VAL 16 HG13 VAL 16 4.765 0.087 -1.470
149 HG21 VAL 16 HG21 VAL 16 8.023 1.889 -1.581
150 HG22 VAL 16 HG22 VAL 16 7.297 2.248 -3.148
151 HG23 VAL 16 HG23 VAL 16 8.606 1.073 -3.030
152 HA PRO 17 HA PRO 17 10.163 -0.237 1.561
153 HB2 PRO 17 HB2 PRO 17 12.332 0.429 -0.274
154 HB3 PRO 17 HB1 PRO 17 12.306 -0.753 1.032
155 HG2 PRO 17 HG2 PRO 17 12.326 -1.480 -1.573
156 HG3 PRO 17 HG1 PRO 17 11.518 -2.435 -0.318
157 HD2 PRO 17 HD2 PRO 17 10.346 -0.601 -2.358
158 HD3 PRO 17 HD1 PRO 17 9.707 -2.121 -1.699
159 H ILE 18 HN ILE 18 9.845 1.665 2.448
160 HA ILE 18 HA ILE 18 9.613 4.035 0.794
161 HB ILE 18 HB ILE 18 9.102 3.765 3.764
162 HG12 ILE 18 HG12 ILE 18 7.126 3.651 1.471
163 HG13 ILE 18 HG11 ILE 18 7.657 2.264 2.413
164 HG21 ILE 18 HG21 ILE 18 7.808 5.826 3.485
165 HG22 ILE 18 HG22 ILE 18 8.245 5.871 1.777
166 HG23 ILE 18 HG23 ILE 18 9.492 6.058 3.010
167 HD11 ILE 18 HD11 ILE 18 5.477 3.036 3.138
168 HD12 ILE 18 HD12 ILE 18 6.139 4.637 3.467
169 HD13 ILE 18 HD13 ILE 18 6.672 3.250 4.417
170 H LYS 19 HN LYS 19 11.823 4.204 0.294
171 HA LYS 19 HA LYS 19 13.774 4.578 2.371
172 HB2 LYS 19 HB2 LYS 19 13.960 5.047 -0.610
173 HB3 LYS 19 HB1 LYS 19 15.317 5.094 0.508
174 HG2 LYS 19 HG2 LYS 19 14.885 2.731 1.077
175 HG3 LYS 19 HG1 LYS 19 13.600 2.704 -0.132
176 HD2 LYS 19 HD2 LYS 19 15.238 3.265 -1.871
177 HD3 LYS 19 HD1 LYS 19 16.519 3.269 -0.657
178 HE2 LYS 19 HE2 LYS 19 14.801 0.914 -1.434
179 HE3 LYS 19 HE1 LYS 19 16.489 1.161 -1.878
180 HZ1 LYS 19 HZ1 LYS 19 17.089 1.041 0.459
181 HZ2 LYS 19 HZ2 LYS 19 16.264 -0.359 -0.009
182 HZ3 LYS 19 HZ3 LYS 19 15.468 0.826 0.893
183 H ARG 20 HN ARG 20 11.542 6.570 0.727
184 HA ARG 20 HA ARG 20 12.976 9.026 1.120
185 HB2 ARG 20 HB2 ARG 20 10.941 10.133 0.371
186 HB3 ARG 20 HB1 ARG 20 11.346 8.805 -0.705
187 HG2 ARG 20 HG2 ARG 20 9.648 7.418 0.300
188 HG3 ARG 20 HG1 ARG 20 9.297 8.677 1.488
189 HD2 ARG 20 HD2 ARG 20 9.024 9.081 -1.482
190 HD3 ARG 20 HD1 ARG 20 7.701 8.524 -0.460
191 HE ARG 20 HE ARG 20 8.809 10.902 0.602
192 HH11 ARG 20 HH11 ARG 20 6.825 9.787 -2.066
193 HH12 ARG 20 HH12 ARG 20 5.950 11.279 -2.197
194 HH21 ARG 20 HH21 ARG 20 7.657 12.836 0.451
195 HH22 ARG 20 HH22 ARG 20 6.420 13.020 -0.764
196 HA PRO 21 HA PRO 21 11.599 9.552 5.374
197 HB2 PRO 21 HB2 PRO 21 12.574 12.273 5.244
198 HB3 PRO 21 HB1 PRO 21 13.241 10.908 6.138
199 HG2 PRO 21 HG2 PRO 21 14.464 12.070 3.981
200 HG3 PRO 21 HG1 PRO 21 14.727 10.394 4.488
201 HD2 PRO 21 HD2 PRO 21 13.041 11.460 2.264
202 HD3 PRO 21 HD1 PRO 21 14.023 9.984 2.346
203 H SER 22 HN SER 22 9.475 9.580 3.981
204 HA SER 22 HA SER 22 7.503 10.484 3.348
205 HB2 SER 22 HB2 SER 22 6.452 11.993 5.060
206 HB3 SER 22 HB1 SER 22 7.103 10.494 5.714
207 HG SER 22 HG SER 22 8.981 12.440 5.732
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 -9.968 8.928 0.576
2 H2 LEU 1 HT2 LEU 1 -11.326 8.530 -0.341
3 H3 LEU 1 HT3 LEU 1 -10.320 7.310 0.248
4 HA LEU 1 HA LEU 1 -10.888 7.943 2.521
5 HB2 LEU 1 HB2 LEU 1 -12.715 9.826 1.041
6 HB3 LEU 1 HB1 LEU 1 -13.063 9.302 2.673
7 HG LEU 1 HG LEU 1 -12.068 11.433 2.852
8 HD11 LEU 1 HD11 LEU 1 -11.269 9.796 4.481
9 HD12 LEU 1 HD12 LEU 1 -10.056 11.026 4.133
10 HD13 LEU 1 HD13 LEU 1 -9.905 9.419 3.428
11 HD21 LEU 1 HD21 LEU 1 -9.797 10.470 1.123
12 HD22 LEU 1 HD22 LEU 1 -9.955 12.064 1.855
13 HD23 LEU 1 HD23 LEU 1 -11.090 11.551 0.607
14 H ARG 2 HN ARG 2 -11.137 5.712 1.164
15 HA ARG 2 HA ARG 2 -13.849 4.848 1.797
16 HB2 ARG 2 HB2 ARG 2 -13.593 5.440 -0.722
17 HB3 ARG 2 HB1 ARG 2 -12.630 3.972 -0.795
18 HG2 ARG 2 HG2 ARG 2 -14.855 3.446 -1.467
19 HG3 ARG 2 HG1 ARG 2 -14.566 2.716 0.112
20 HD2 ARG 2 HD2 ARG 2 -15.744 4.567 1.185
21 HD3 ARG 2 HD1 ARG 2 -16.014 5.315 -0.387
22 HE ARG 2 HE ARG 2 -17.132 2.885 -0.698
23 HH11 ARG 2 HH11 ARG 2 -17.469 5.339 1.776
24 HH12 ARG 2 HH12 ARG 2 -19.112 4.919 2.145
25 HH21 ARG 2 HH21 ARG 2 -19.288 2.328 -0.209
26 HH22 ARG 2 HH22 ARG 2 -20.141 3.185 1.035
27 H LEU 3 HN LEU 3 -13.949 2.638 2.341
28 HA LEU 3 HA LEU 3 -11.772 1.633 3.657
29 HB2 LEU 3 HB2 LEU 3 -14.374 0.912 3.386
30 HB3 LEU 3 HB1 LEU 3 -13.521 -0.389 2.593
31 HG LEU 3 HG LEU 3 -13.084 0.470 5.445
32 HD11 LEU 3 HD11 LEU 3 -15.241 -0.581 5.168
33 HD12 LEU 3 HD12 LEU 3 -14.139 -1.690 5.986
34 HD13 LEU 3 HD13 LEU 3 -14.507 -1.912 4.275
35 HD21 LEU 3 HD21 LEU 3 -11.731 -1.557 5.621
36 HD22 LEU 3 HD22 LEU 3 -11.062 -0.445 4.427
37 HD23 LEU 3 HD23 LEU 3 -11.963 -1.865 3.900
38 H ILE 4 HN ILE 4 -13.004 0.478 0.568
39 HA ILE 4 HA ILE 4 -11.098 -1.487 0.122
40 HB ILE 4 HB ILE 4 -12.577 0.134 -1.942
41 HG12 ILE 4 HG12 ILE 4 -14.109 -0.930 -0.400
42 HG13 ILE 4 HG11 ILE 4 -14.128 -1.803 -1.924
43 HG21 ILE 4 HG21 ILE 4 -11.236 -2.556 -2.182
44 HG22 ILE 4 HG22 ILE 4 -10.687 -1.052 -2.920
45 HG23 ILE 4 HG23 ILE 4 -12.214 -1.777 -3.427
46 HD11 ILE 4 HD11 ILE 4 -12.710 -2.643 0.587
47 HD12 ILE 4 HD12 ILE 4 -12.648 -3.502 -0.952
48 HD13 ILE 4 HD13 ILE 4 -14.177 -3.351 -0.088
49 H HIS 5 HN HIS 5 -10.976 1.959 -0.638
50 HA HIS 5 HA HIS 5 -8.470 1.681 -2.047
51 HB2 HIS 5 HB2 HIS 5 -10.107 4.070 -1.229
52 HB3 HIS 5 HB1 HIS 5 -8.511 4.234 -1.947
53 HD1 HIS 5 HD1 HIS 5 -8.532 4.490 -4.394
54 HD2 HIS 5 HD2 HIS 5 -11.878 2.446 -3.025
55 HE1 HIS 5 HE1 HIS 5 -9.958 4.092 -6.418
56 HE2 HIS 5 HE2 HIS 5 -11.877 2.687 -5.597
57 H ALA 6 HN ALA 6 -9.503 2.100 1.196
58 HA ALA 6 HA ALA 6 -7.080 3.317 2.150
59 HB1 ALA 6 HB1 ALA 6 -7.955 2.870 4.371
60 HB2 ALA 6 HB2 ALA 6 -9.209 1.835 3.691
61 HB3 ALA 6 HB3 ALA 6 -9.212 3.565 3.347
62 H VAL 7 HN VAL 7 -8.418 0.038 2.044
63 HA VAL 7 HA VAL 7 -6.136 -1.129 3.295
64 HB VAL 7 HB VAL 7 -8.217 -2.295 3.499
65 HG11 VAL 7 HG11 VAL 7 -8.224 -2.497 0.495
66 HG12 VAL 7 HG12 VAL 7 -9.337 -1.561 1.495
67 HG13 VAL 7 HG13 VAL 7 -9.349 -3.323 1.572
68 HG21 VAL 7 HG21 VAL 7 -6.214 -3.686 3.446
69 HG22 VAL 7 HG22 VAL 7 -6.364 -3.849 1.696
70 HG23 VAL 7 HG23 VAL 7 -7.594 -4.539 2.754
71 H ARG 8 HN ARG 8 -7.145 -0.679 -0.084
72 HA ARG 8 HA ARG 8 -5.058 -2.080 -1.295
73 HB2 ARG 8 HB2 ARG 8 -6.970 -0.032 -2.121
74 HB3 ARG 8 HB1 ARG 8 -5.433 0.082 -2.966
75 HG2 ARG 8 HG2 ARG 8 -6.822 -1.293 -4.282
76 HG3 ARG 8 HG1 ARG 8 -5.662 -2.357 -3.491
77 HD2 ARG 8 HD2 ARG 8 -7.378 -2.838 -1.758
78 HD3 ARG 8 HD1 ARG 8 -8.531 -1.901 -2.708
79 HE ARG 8 HE ARG 8 -7.446 -4.528 -3.350
80 HH11 ARG 8 HH11 ARG 8 -9.329 -1.770 -4.403
81 HH12 ARG 8 HH12 ARG 8 -10.178 -2.661 -5.625
82 HH21 ARG 8 HH21 ARG 8 -8.557 -5.691 -4.973
83 HH22 ARG 8 HH22 ARG 8 -9.742 -4.883 -5.948
84 H GLY 9 HN GLY 9 -5.231 1.420 -0.679
85 HA2 GLY 9 HA2 GLY 9 -2.609 2.049 -1.338
86 HA3 GLY 9 HA1 GLY 9 -3.589 2.947 -0.189
87 H TYR 10 HN TYR 10 -3.903 0.688 1.603
88 HA TYR 10 HA TYR 10 -1.699 0.992 3.279
89 HB2 TYR 10 HB2 TYR 10 -3.683 0.263 4.297
90 HB3 TYR 10 HB1 TYR 10 -3.917 -1.030 3.129
91 HD1 TYR 10 HD1 TYR 10 -1.348 -0.006 5.669
92 HD2 TYR 10 HD2 TYR 10 -3.589 -3.157 3.889
93 HE1 TYR 10 HE1 TYR 10 -0.324 -1.610 7.228
94 HE2 TYR 10 HE2 TYR 10 -2.570 -4.767 5.439
95 HH TYR 10 HH TYR 10 -0.768 -3.801 8.182
96 H TRP 11 HN TRP 11 -2.533 -1.989 1.414
97 HA TRP 11 HA TRP 11 -0.014 -3.111 2.113
98 HB2 TRP 11 HB2 TRP 11 -0.607 -5.015 0.750
99 HB3 TRP 11 HB1 TRP 11 -1.973 -4.523 1.727
100 HD1 TRP 11 HD1 TRP 11 -4.164 -3.778 0.496
101 HE1 TRP 11 HE1 TRP 11 -4.952 -3.979 -1.941
102 HE3 TRP 11 HE3 TRP 11 0.314 -4.859 -1.709
103 HZ2 TRP 11 HZ2 TRP 11 -3.821 -4.515 -4.472
104 HZ3 TRP 11 HZ3 TRP 11 0.376 -5.209 -4.144
105 HH2 TRP 11 HH2 TRP 11 -1.651 -5.038 -5.495
106 H LEU 12 HN LEU 12 -1.071 -1.141 -0.482
107 HA LEU 12 HA LEU 12 1.002 -1.732 -2.313
108 HB2 LEU 12 HB2 LEU 12 -0.748 0.687 -1.939
109 HB3 LEU 12 HB1 LEU 12 0.404 0.532 -3.251
110 HG LEU 12 HG LEU 12 -1.831 -1.443 -2.776
111 HD11 LEU 12 HD11 LEU 12 -3.001 -0.306 -4.615
112 HD12 LEU 12 HD12 LEU 12 -1.749 0.935 -4.648
113 HD13 LEU 12 HD13 LEU 12 -2.784 0.762 -3.230
114 HD21 LEU 12 HD21 LEU 12 -0.046 -0.895 -5.154
115 HD22 LEU 12 HD22 LEU 12 -1.362 -2.068 -5.102
116 HD23 LEU 12 HD23 LEU 12 0.054 -2.285 -4.075
117 H THR 13 HN THR 13 0.627 0.916 0.056
118 HA THR 13 HA THR 13 3.149 2.082 -0.530
119 HB THR 13 HB THR 13 2.790 3.353 1.606
120 HG1 THR 13 HG1 THR 13 0.218 2.155 1.677
121 HG21 THR 13 HG21 THR 13 0.477 3.277 -0.328
122 HG22 THR 13 HG22 THR 13 1.959 4.218 -0.513
123 HG23 THR 13 HG23 THR 13 0.833 4.590 0.794
124 H ASN 14 HN ASN 14 2.360 -0.696 1.126
125 HA ASN 14 HA ASN 14 4.593 -0.541 2.999
126 HB2 ASN 14 HB2 ASN 14 2.149 -2.177 2.720
127 HB3 ASN 14 HB1 ASN 14 3.514 -2.905 3.563
128 HD21 ASN 14 HD21 ASN 14 1.160 -0.335 3.592
129 HD22 ASN 14 HD22 ASN 14 1.381 0.123 5.245
130 H LYS 15 HN LYS 15 3.968 -1.632 -0.103
131 HA LYS 15 HA LYS 15 5.987 -3.736 -0.073
132 HB2 LYS 15 HB2 LYS 15 4.499 -2.439 -2.369
133 HB3 LYS 15 HB1 LYS 15 5.557 -3.831 -2.498
134 HG2 LYS 15 HG2 LYS 15 3.007 -3.730 -0.914
135 HG3 LYS 15 HG1 LYS 15 3.182 -4.435 -2.521
136 HD2 LYS 15 HD2 LYS 15 4.771 -6.065 -1.650
137 HD3 LYS 15 HD1 LYS 15 4.654 -5.339 -0.046
138 HE2 LYS 15 HE2 LYS 15 2.352 -6.575 -1.550
139 HE3 LYS 15 HE1 LYS 15 3.288 -7.389 -0.297
140 HZ1 LYS 15 HZ1 LYS 15 1.203 -6.427 0.524
141 HZ2 LYS 15 HZ2 LYS 15 1.753 -4.882 0.109
142 HZ3 LYS 15 HZ3 LYS 15 2.560 -5.777 1.298
143 H VAL 16 HN VAL 16 5.901 -0.513 0.004
144 HA VAL 16 HA VAL 16 8.058 0.038 -1.870
145 HB VAL 16 HB VAL 16 6.714 2.124 -0.201
146 HG11 VAL 16 HG11 VAL 16 7.075 3.499 -2.193
147 HG12 VAL 16 HG12 VAL 16 7.762 2.105 -3.025
148 HG13 VAL 16 HG13 VAL 16 8.576 2.778 -1.613
149 HG21 VAL 16 HG21 VAL 16 4.871 0.758 -1.014
150 HG22 VAL 16 HG22 VAL 16 5.502 0.872 -2.663
151 HG23 VAL 16 HG23 VAL 16 4.907 2.318 -1.847
152 HA PRO 17 HA PRO 17 10.837 0.063 1.659
153 HB2 PRO 17 HB2 PRO 17 13.052 0.825 0.265
154 HB3 PRO 17 HB1 PRO 17 12.456 -0.836 0.297
155 HG2 PRO 17 HG2 PRO 17 12.125 1.258 -1.802
156 HG3 PRO 17 HG1 PRO 17 12.410 -0.481 -1.988
157 HD2 PRO 17 HD2 PRO 17 9.962 0.679 -2.289
158 HD3 PRO 17 HD1 PRO 17 10.182 -0.995 -1.744
159 H ILE 18 HN ILE 18 10.661 1.704 3.025
160 HA ILE 18 HA ILE 18 11.321 4.411 2.093
161 HB ILE 18 HB ILE 18 9.096 3.749 4.034
162 HG12 ILE 18 HG12 ILE 18 8.973 4.691 1.162
163 HG13 ILE 18 HG11 ILE 18 8.482 3.111 1.755
164 HG21 ILE 18 HG21 ILE 18 8.557 6.144 3.858
165 HG22 ILE 18 HG22 ILE 18 9.984 6.378 2.850
166 HG23 ILE 18 HG23 ILE 18 10.165 5.869 4.528
167 HD11 ILE 18 HD11 ILE 18 6.557 4.512 1.343
168 HD12 ILE 18 HD12 ILE 18 7.191 5.742 2.436
169 HD13 ILE 18 HD13 ILE 18 6.707 4.167 3.066
170 H LYS 19 HN LYS 19 13.340 4.425 2.989
171 HA LYS 19 HA LYS 19 13.697 3.560 5.743
172 HB2 LYS 19 HB2 LYS 19 15.680 4.591 3.711
173 HB3 LYS 19 HB1 LYS 19 16.103 4.045 5.327
174 HG2 LYS 19 HG2 LYS 19 14.892 2.375 3.133
175 HG3 LYS 19 HG1 LYS 19 16.556 2.305 3.718
176 HD2 LYS 19 HD2 LYS 19 15.674 1.665 5.957
177 HD3 LYS 19 HD1 LYS 19 14.058 1.604 5.257
178 HE2 LYS 19 HE2 LYS 19 16.412 -0.066 4.388
179 HE3 LYS 19 HE1 LYS 19 15.088 -0.620 5.408
180 HZ1 LYS 19 HZ1 LYS 19 13.563 -0.183 3.570
181 HZ2 LYS 19 HZ2 LYS 19 14.751 -1.301 3.136
182 HZ3 LYS 19 HZ3 LYS 19 14.859 0.297 2.594
183 H ARG 20 HN ARG 20 12.685 6.303 4.291
184 HA ARG 20 HA ARG 20 14.041 8.186 6.038
185 HB2 ARG 20 HB2 ARG 20 11.840 8.617 4.005
186 HB3 ARG 20 HB1 ARG 20 12.728 9.888 4.836
187 HG2 ARG 20 HG2 ARG 20 14.779 9.208 3.751
188 HG3 ARG 20 HG1 ARG 20 13.947 7.861 2.971
189 HD2 ARG 20 HD2 ARG 20 12.481 9.486 1.822
190 HD3 ARG 20 HD1 ARG 20 13.410 10.798 2.547
191 HE ARG 20 HE ARG 20 15.135 9.035 1.169
192 HH11 ARG 20 HH11 ARG 20 12.749 11.534 0.598
193 HH12 ARG 20 HH12 ARG 20 13.414 11.990 -0.939
194 HH21 ARG 20 HH21 ARG 20 16.023 9.643 -0.839
195 HH22 ARG 20 HH22 ARG 20 15.276 10.911 -1.760
196 HA PRO 21 HA PRO 21 10.840 8.103 9.099
197 HB2 PRO 21 HB2 PRO 21 11.271 10.841 9.881
198 HB3 PRO 21 HB1 PRO 21 11.854 9.374 10.668
199 HG2 PRO 21 HG2 PRO 21 13.472 11.202 9.407
200 HG3 PRO 21 HG1 PRO 21 13.892 9.499 9.657
201 HD2 PRO 21 HD2 PRO 21 12.845 10.857 7.206
202 HD3 PRO 21 HD1 PRO 21 14.071 9.582 7.356
203 H SER 22 HN SER 22 10.104 9.089 6.366
204 HA SER 22 HA SER 22 7.504 10.034 6.946
205 HB2 SER 22 HB2 SER 22 8.746 12.162 7.253
206 HB3 SER 22 HB1 SER 22 9.387 12.008 5.619
207 HG SER 22 HG SER 22 6.718 12.459 6.437
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 -11.343 9.209 0.909
2 H2 LEU 1 HT2 LEU 1 -12.012 8.308 -0.354
3 H3 LEU 1 HT3 LEU 1 -11.073 7.543 0.823
4 HA LEU 1 HA LEU 1 -12.687 7.987 2.504
5 HB2 LEU 1 HB2 LEU 1 -14.197 9.334 0.269
6 HB3 LEU 1 HB1 LEU 1 -14.878 8.965 1.840
7 HG LEU 1 HG LEU 1 -12.577 10.852 1.325
8 HD11 LEU 1 HD11 LEU 1 -14.162 12.586 1.989
9 HD12 LEU 1 HD12 LEU 1 -15.435 11.372 2.112
10 HD13 LEU 1 HD13 LEU 1 -14.707 11.728 0.546
11 HD21 LEU 1 HD21 LEU 1 -14.033 10.164 3.876
12 HD22 LEU 1 HD22 LEU 1 -12.830 11.441 3.694
13 HD23 LEU 1 HD23 LEU 1 -12.363 9.752 3.487
14 H ARG 2 HN ARG 2 -11.963 5.742 1.372
15 HA ARG 2 HA ARG 2 -14.394 4.241 1.322
16 HB2 ARG 2 HB2 ARG 2 -14.019 5.069 -1.098
17 HB3 ARG 2 HB1 ARG 2 -12.668 3.942 -1.116
18 HG2 ARG 2 HG2 ARG 2 -14.430 2.751 -2.069
19 HG3 ARG 2 HG1 ARG 2 -14.351 2.169 -0.404
20 HD2 ARG 2 HD2 ARG 2 -16.271 4.235 -1.481
21 HD3 ARG 2 HD1 ARG 2 -16.662 2.564 -1.103
22 HE ARG 2 HE ARG 2 -16.015 4.665 0.856
23 HH11 ARG 2 HH11 ARG 2 -17.316 1.501 0.102
24 HH12 ARG 2 HH12 ARG 2 -18.082 1.309 1.649
25 HH21 ARG 2 HH21 ARG 2 -17.019 4.396 2.905
26 HH22 ARG 2 HH22 ARG 2 -17.904 2.943 3.237
27 H LEU 3 HN LEU 3 -14.026 2.295 2.135
28 HA LEU 3 HA LEU 3 -11.578 1.726 3.306
29 HB2 LEU 3 HB2 LEU 3 -12.685 -0.676 3.421
30 HB3 LEU 3 HB1 LEU 3 -13.159 0.641 4.475
31 HG LEU 3 HG LEU 3 -15.038 1.129 2.860
32 HD11 LEU 3 HD11 LEU 3 -14.234 0.034 0.880
33 HD12 LEU 3 HD12 LEU 3 -15.732 -0.740 1.397
34 HD13 LEU 3 HD13 LEU 3 -14.180 -1.518 1.711
35 HD21 LEU 3 HD21 LEU 3 -15.401 -0.039 4.949
36 HD22 LEU 3 HD22 LEU 3 -14.983 -1.570 4.182
37 HD23 LEU 3 HD23 LEU 3 -16.431 -0.699 3.678
38 H ILE 4 HN ILE 4 -12.843 0.702 0.226
39 HA ILE 4 HA ILE 4 -11.002 -1.328 -0.306
40 HB ILE 4 HB ILE 4 -12.237 0.609 -2.270
41 HG12 ILE 4 HG12 ILE 4 -13.927 -0.634 -1.047
42 HG13 ILE 4 HG11 ILE 4 -13.830 -1.238 -2.693
43 HG21 ILE 4 HG21 ILE 4 -11.756 -1.106 -3.968
44 HG22 ILE 4 HG22 ILE 4 -10.887 -2.045 -2.754
45 HG23 ILE 4 HG23 ILE 4 -10.287 -0.459 -3.237
46 HD11 ILE 4 HD11 ILE 4 -12.480 -3.128 -1.896
47 HD12 ILE 4 HD12 ILE 4 -14.079 -3.067 -1.155
48 HD13 ILE 4 HD13 ILE 4 -12.667 -2.535 -0.246
49 H HIS 5 HN HIS 5 -10.814 2.160 -0.851
50 HA HIS 5 HA HIS 5 -8.189 2.109 -1.951
51 HB2 HIS 5 HB2 HIS 5 -9.853 4.323 -0.757
52 HB3 HIS 5 HB1 HIS 5 -8.225 4.591 -1.358
53 HD1 HIS 5 HD1 HIS 5 -8.093 5.291 -3.711
54 HD2 HIS 5 HD2 HIS 5 -11.604 3.221 -2.911
55 HE1 HIS 5 HE1 HIS 5 -9.453 5.429 -5.812
56 HE2 HIS 5 HE2 HIS 5 -11.637 4.302 -5.261
57 H ALA 6 HN ALA 6 -9.511 2.231 1.270
58 HA ALA 6 HA ALA 6 -7.178 3.198 2.577
59 HB1 ALA 6 HB1 ALA 6 -8.293 2.549 4.637
60 HB2 ALA 6 HB2 ALA 6 -9.481 1.624 3.718
61 HB3 ALA 6 HB3 ALA 6 -9.416 3.379 3.559
62 H VAL 7 HN VAL 7 -8.490 -0.057 2.010
63 HA VAL 7 HA VAL 7 -6.308 -1.276 3.436
64 HB VAL 7 HB VAL 7 -8.488 -2.349 3.504
65 HG11 VAL 7 HG11 VAL 7 -8.145 -2.726 0.540
66 HG12 VAL 7 HG12 VAL 7 -9.361 -1.733 1.347
67 HG13 VAL 7 HG13 VAL 7 -9.395 -3.490 1.520
68 HG21 VAL 7 HG21 VAL 7 -7.806 -4.642 2.925
69 HG22 VAL 7 HG22 VAL 7 -6.549 -3.761 3.792
70 HG23 VAL 7 HG23 VAL 7 -6.420 -3.990 2.048
71 H ARG 8 HN ARG 8 -7.184 -0.796 0.024
72 HA ARG 8 HA ARG 8 -5.070 -2.320 -1.049
73 HB2 ARG 8 HB2 ARG 8 -6.940 -0.277 -2.080
74 HB3 ARG 8 HB1 ARG 8 -5.427 -0.440 -2.959
75 HG2 ARG 8 HG2 ARG 8 -7.098 -1.821 -3.985
76 HG3 ARG 8 HG1 ARG 8 -5.874 -2.842 -3.233
77 HD2 ARG 8 HD2 ARG 8 -7.348 -3.181 -1.307
78 HD3 ARG 8 HD1 ARG 8 -8.576 -2.176 -2.076
79 HE ARG 8 HE ARG 8 -7.847 -4.260 -3.823
80 HH11 ARG 8 HH11 ARG 8 -9.565 -3.756 -0.818
81 HH12 ARG 8 HH12 ARG 8 -10.610 -5.121 -1.034
82 HH21 ARG 8 HH21 ARG 8 -9.219 -6.061 -4.115
83 HH22 ARG 8 HH22 ARG 8 -10.411 -6.437 -2.910
84 H GLY 9 HN GLY 9 -5.348 1.205 -0.644
85 HA2 GLY 9 HA2 GLY 9 -2.741 1.859 -1.362
86 HA3 GLY 9 HA1 GLY 9 -3.755 2.815 -0.290
87 H TYR 10 HN TYR 10 -3.993 0.604 1.630
88 HA TYR 10 HA TYR 10 -1.856 1.125 3.330
89 HB2 TYR 10 HB2 TYR 10 -3.749 0.269 4.381
90 HB3 TYR 10 HB1 TYR 10 -3.939 -1.027 3.209
91 HD1 TYR 10 HD1 TYR 10 -1.355 0.088 5.695
92 HD2 TYR 10 HD2 TYR 10 -3.552 -3.135 3.988
93 HE1 TYR 10 HE1 TYR 10 -0.235 -1.478 7.226
94 HE2 TYR 10 HE2 TYR 10 -2.435 -4.706 5.512
95 HH TYR 10 HH TYR 10 -0.312 -4.823 6.794
96 H TRP 11 HN TRP 11 -2.403 -1.955 1.531
97 HA TRP 11 HA TRP 11 0.223 -2.804 2.291
98 HB2 TRP 11 HB2 TRP 11 -0.224 -4.851 1.064
99 HB3 TRP 11 HB1 TRP 11 -1.584 -4.428 2.087
100 HD1 TRP 11 HD1 TRP 11 -3.877 -3.790 0.893
101 HE1 TRP 11 HE1 TRP 11 -4.754 -4.259 -1.479
102 HE3 TRP 11 HE3 TRP 11 0.538 -4.994 -1.367
103 HZ2 TRP 11 HZ2 TRP 11 -3.703 -5.046 -3.983
104 HZ3 TRP 11 HZ3 TRP 11 0.519 -5.607 -3.752
105 HH2 TRP 11 HH2 TRP 11 -1.559 -5.629 -5.033
106 H LEU 12 HN LEU 12 -1.142 -1.277 -0.503
107 HA LEU 12 HA LEU 12 0.911 -1.845 -2.340
108 HB2 LEU 12 HB2 LEU 12 -1.017 0.457 -2.140
109 HB3 LEU 12 HB1 LEU 12 0.072 0.230 -3.491
110 HG LEU 12 HG LEU 12 -1.980 -1.816 -2.668
111 HD11 LEU 12 HD11 LEU 12 -3.354 -0.952 -4.482
112 HD12 LEU 12 HD12 LEU 12 -2.158 0.300 -4.817
113 HD13 LEU 12 HD13 LEU 12 -3.045 0.317 -3.294
114 HD21 LEU 12 HD21 LEU 12 -0.128 -2.691 -3.977
115 HD22 LEU 12 HD22 LEU 12 -0.348 -1.418 -5.177
116 HD23 LEU 12 HD23 LEU 12 -1.596 -2.643 -4.953
117 H THR 13 HN THR 13 0.667 0.548 0.199
118 HA THR 13 HA THR 13 3.018 1.916 -0.818
119 HB THR 13 HB THR 13 2.678 3.437 1.144
120 HG1 THR 13 HG1 THR 13 0.146 2.239 1.501
121 HG21 THR 13 HG21 THR 13 0.339 2.963 -0.709
122 HG22 THR 13 HG22 THR 13 1.725 4.019 -0.999
123 HG23 THR 13 HG23 THR 13 0.565 4.414 0.269
124 H ASN 14 HN ASN 14 2.374 -0.712 1.044
125 HA ASN 14 HA ASN 14 4.689 -0.370 2.806
126 HB2 ASN 14 HB2 ASN 14 2.209 -2.001 2.875
127 HB3 ASN 14 HB1 ASN 14 3.635 -2.630 3.700
128 HD21 ASN 14 HD21 ASN 14 1.310 -0.025 3.604
129 HD22 ASN 14 HD22 ASN 14 1.664 0.607 5.175
130 H LYS 15 HN LYS 15 3.217 -2.953 0.836
131 HA LYS 15 HA LYS 15 5.543 -4.592 0.920
132 HB2 LYS 15 HB2 LYS 15 3.280 -4.730 -1.076
133 HB3 LYS 15 HB1 LYS 15 4.380 -6.027 -0.632
134 HG2 LYS 15 HG2 LYS 15 2.341 -4.751 1.172
135 HG3 LYS 15 HG1 LYS 15 2.187 -6.322 0.383
136 HD2 LYS 15 HD2 LYS 15 4.121 -7.151 1.621
137 HD3 LYS 15 HD1 LYS 15 4.322 -5.573 2.383
138 HE2 LYS 15 HE2 LYS 15 2.139 -5.795 3.438
139 HE3 LYS 15 HE1 LYS 15 1.910 -7.359 2.657
140 HZ1 LYS 15 HZ1 LYS 15 3.798 -8.217 3.881
141 HZ2 LYS 15 HZ2 LYS 15 2.646 -7.593 4.946
142 HZ3 LYS 15 HZ3 LYS 15 4.048 -6.713 4.613
143 H VAL 16 HN VAL 16 4.385 -2.101 -1.118
144 HA VAL 16 HA VAL 16 6.380 -2.658 -3.184
145 HB VAL 16 HB VAL 16 4.371 -0.472 -3.391
146 HG11 VAL 16 HG11 VAL 16 5.456 -2.452 -5.387
147 HG12 VAL 16 HG12 VAL 16 5.989 -0.783 -5.179
148 HG13 VAL 16 HG13 VAL 16 4.355 -1.123 -5.748
149 HG21 VAL 16 HG21 VAL 16 3.686 -3.393 -3.687
150 HG22 VAL 16 HG22 VAL 16 2.659 -2.052 -4.197
151 HG23 VAL 16 HG23 VAL 16 3.044 -2.266 -2.481
152 HA PRO 17 HA PRO 17 8.759 0.667 -1.328
153 HB2 PRO 17 HB2 PRO 17 10.420 0.626 -3.707
154 HB3 PRO 17 HB1 PRO 17 10.841 0.178 -2.055
155 HG2 PRO 17 HG2 PRO 17 10.614 -1.630 -4.085
156 HG3 PRO 17 HG1 PRO 17 10.334 -2.028 -2.382
157 HD2 PRO 17 HD2 PRO 17 8.360 -1.534 -4.566
158 HD3 PRO 17 HD1 PRO 17 8.284 -2.670 -3.203
159 H ILE 18 HN ILE 18 8.037 2.668 -1.401
160 HA ILE 18 HA ILE 18 7.709 3.996 -4.000
161 HB ILE 18 HB ILE 18 5.830 4.337 -1.654
162 HG12 ILE 18 HG12 ILE 18 5.441 2.897 -4.288
163 HG13 ILE 18 HG11 ILE 18 5.484 2.160 -2.692
164 HG21 ILE 18 HG21 ILE 18 5.724 5.453 -4.454
165 HG22 ILE 18 HG22 ILE 18 6.113 6.359 -2.993
166 HG23 ILE 18 HG23 ILE 18 4.499 5.680 -3.206
167 HD11 ILE 18 HD11 ILE 18 3.386 4.033 -3.752
168 HD12 ILE 18 HD12 ILE 18 3.445 3.413 -2.104
169 HD13 ILE 18 HD13 ILE 18 3.216 2.303 -3.454
170 H LYS 19 HN LYS 19 9.500 5.223 -3.894
171 HA LYS 19 HA LYS 19 10.252 6.578 -1.452
172 HB2 LYS 19 HB2 LYS 19 11.474 6.645 -4.217
173 HB3 LYS 19 HB1 LYS 19 12.144 7.457 -2.811
174 HG2 LYS 19 HG2 LYS 19 13.384 5.514 -2.913
175 HG3 LYS 19 HG1 LYS 19 12.136 5.120 -1.737
176 HD2 LYS 19 HD2 LYS 19 12.382 3.254 -3.210
177 HD3 LYS 19 HD1 LYS 19 10.844 4.035 -3.568
178 HE2 LYS 19 HE2 LYS 19 12.006 3.420 -5.619
179 HE3 LYS 19 HE1 LYS 19 11.862 5.169 -5.480
180 HZ1 LYS 19 HZ1 LYS 19 14.290 3.611 -4.782
181 HZ2 LYS 19 HZ2 LYS 19 14.142 5.293 -4.760
182 HZ3 LYS 19 HZ3 LYS 19 14.068 4.458 -6.226
183 H ARG 20 HN ARG 20 8.750 7.317 -4.498
184 HA ARG 20 HA ARG 20 8.904 10.137 -4.294
185 HB2 ARG 20 HB2 ARG 20 7.224 10.194 -6.056
186 HB3 ARG 20 HB1 ARG 20 8.464 9.007 -6.426
187 HG2 ARG 20 HG2 ARG 20 6.988 7.207 -5.764
188 HG3 ARG 20 HG1 ARG 20 5.757 8.372 -5.270
189 HD2 ARG 20 HD2 ARG 20 6.818 7.986 -8.068
190 HD3 ARG 20 HD1 ARG 20 5.252 7.441 -7.469
191 HE ARG 20 HE ARG 20 5.351 10.160 -6.997
192 HH11 ARG 20 HH11 ARG 20 5.492 8.060 -9.787
193 HH12 ARG 20 HH12 ARG 20 4.801 9.235 -10.861
194 HH21 ARG 20 HH21 ARG 20 4.433 11.698 -8.397
195 HH22 ARG 20 HH22 ARG 20 4.182 11.299 -10.069
196 HA PRO 21 HA PRO 21 5.966 10.863 -1.021
197 HB2 PRO 21 HB2 PRO 21 5.622 13.471 -2.388
198 HB3 PRO 21 HB1 PRO 21 6.067 13.130 -0.714
199 HG2 PRO 21 HG2 PRO 21 7.875 14.014 -2.470
200 HG3 PRO 21 HG1 PRO 21 8.300 12.823 -1.226
201 HD2 PRO 21 HD2 PRO 21 7.796 12.420 -4.143
202 HD3 PRO 21 HD1 PRO 21 8.975 11.631 -3.074
203 H SER 22 HN SER 22 4.044 9.875 -1.199
204 HA SER 22 HA SER 22 2.298 10.635 -3.441
205 HB2 SER 22 HB2 SER 22 2.276 8.038 -1.889
206 HB3 SER 22 HB1 SER 22 1.354 8.409 -3.348
207 HG SER 22 HG SER 22 4.196 8.390 -3.198
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 -13.225 7.226 3.450
2 H2 LEU 1 HT2 LEU 1 -12.567 8.692 2.930
3 H3 LEU 1 HT3 LEU 1 -11.944 7.235 2.349
4 HA LEU 1 HA LEU 1 -14.644 8.315 1.833
5 HB2 LEU 1 HB2 LEU 1 -12.293 7.890 -0.009
6 HB3 LEU 1 HB1 LEU 1 -13.881 8.432 -0.504
7 HG LEU 1 HG LEU 1 -11.964 9.938 1.271
8 HD11 LEU 1 HD11 LEU 1 -11.294 9.915 -1.061
9 HD12 LEU 1 HD12 LEU 1 -11.883 11.513 -0.604
10 HD13 LEU 1 HD13 LEU 1 -12.909 10.432 -1.546
11 HD21 LEU 1 HD21 LEU 1 -14.712 10.678 0.280
12 HD22 LEU 1 HD22 LEU 1 -13.600 11.767 1.107
13 HD23 LEU 1 HD23 LEU 1 -14.249 10.363 1.951
14 H ARG 2 HN ARG 2 -12.409 5.612 1.604
15 HA ARG 2 HA ARG 2 -14.571 3.753 1.277
16 HB2 ARG 2 HB2 ARG 2 -14.135 4.631 -1.069
17 HB3 ARG 2 HB1 ARG 2 -12.541 3.898 -0.949
18 HG2 ARG 2 HG2 ARG 2 -13.541 2.150 -1.921
19 HG3 ARG 2 HG1 ARG 2 -14.091 1.797 -0.283
20 HD2 ARG 2 HD2 ARG 2 -15.614 3.314 -2.398
21 HD3 ARG 2 HD1 ARG 2 -15.936 1.669 -1.863
22 HE ARG 2 HE ARG 2 -16.095 3.280 0.388
23 HH11 ARG 2 HH11 ARG 2 -17.724 2.968 -2.687
24 HH12 ARG 2 HH12 ARG 2 -19.252 3.529 -2.087
25 HH21 ARG 2 HH21 ARG 2 -18.094 4.035 1.196
26 HH22 ARG 2 HH22 ARG 2 -19.460 4.142 0.133
27 H LEU 3 HN LEU 3 -13.969 2.024 2.451
28 HA LEU 3 HA LEU 3 -11.375 1.773 3.477
29 HB2 LEU 3 HB2 LEU 3 -12.122 -0.584 4.084
30 HB3 LEU 3 HB1 LEU 3 -12.956 0.768 4.830
31 HG LEU 3 HG LEU 3 -14.694 0.405 2.919
32 HD11 LEU 3 HD11 LEU 3 -14.876 -1.886 2.155
33 HD12 LEU 3 HD12 LEU 3 -13.399 -2.314 3.015
34 HD13 LEU 3 HD13 LEU 3 -13.332 -1.201 1.650
35 HD21 LEU 3 HD21 LEU 3 -14.347 -1.482 5.232
36 HD22 LEU 3 HD22 LEU 3 -15.838 -1.278 4.315
37 HD23 LEU 3 HD23 LEU 3 -15.184 0.069 5.245
38 H ILE 4 HN ILE 4 -12.835 0.476 0.619
39 HA ILE 4 HA ILE 4 -10.970 -1.518 0.085
40 HB ILE 4 HB ILE 4 -12.506 0.217 -1.855
41 HG12 ILE 4 HG12 ILE 4 -13.904 -1.174 -0.408
42 HG13 ILE 4 HG11 ILE 4 -13.951 -1.757 -2.067
43 HG21 ILE 4 HG21 ILE 4 -10.969 -2.317 -2.413
44 HG22 ILE 4 HG22 ILE 4 -10.529 -0.698 -2.952
45 HG23 ILE 4 HG23 ILE 4 -11.999 -1.459 -3.559
46 HD11 ILE 4 HD11 ILE 4 -12.340 -3.512 -1.478
47 HD12 ILE 4 HD12 ILE 4 -13.825 -3.608 -0.534
48 HD13 ILE 4 HD13 ILE 4 -12.362 -2.948 0.192
49 H HIS 5 HN HIS 5 -10.972 1.905 -0.940
50 HA HIS 5 HA HIS 5 -8.388 1.805 -2.095
51 HB2 HIS 5 HB2 HIS 5 -10.215 4.003 -1.246
52 HB3 HIS 5 HB1 HIS 5 -8.529 4.393 -1.544
53 HD1 HIS 5 HD1 HIS 5 -8.039 5.055 -3.863
54 HD2 HIS 5 HD2 HIS 5 -11.388 2.602 -3.625
55 HE1 HIS 5 HE1 HIS 5 -8.953 4.928 -6.192
56 HE2 HIS 5 HE2 HIS 5 -11.038 3.530 -6.017
57 H ALA 6 HN ALA 6 -9.547 2.259 1.157
58 HA ALA 6 HA ALA 6 -7.185 3.319 2.281
59 HB1 ALA 6 HB1 ALA 6 -9.286 1.639 3.638
60 HB2 ALA 6 HB2 ALA 6 -9.384 3.383 3.392
61 HB3 ALA 6 HB3 ALA 6 -8.122 2.706 4.423
62 H VAL 7 HN VAL 7 -8.420 -0.032 2.166
63 HA VAL 7 HA VAL 7 -6.056 -1.100 3.331
64 HB VAL 7 HB VAL 7 -8.117 -2.330 3.570
65 HG11 VAL 7 HG11 VAL 7 -8.059 -2.676 0.580
66 HG12 VAL 7 HG12 VAL 7 -9.220 -1.718 1.502
67 HG13 VAL 7 HG13 VAL 7 -9.180 -3.473 1.684
68 HG21 VAL 7 HG21 VAL 7 -6.167 -3.851 1.845
69 HG22 VAL 7 HG22 VAL 7 -7.365 -4.560 2.930
70 HG23 VAL 7 HG23 VAL 7 -6.036 -3.604 3.587
71 H ARG 8 HN ARG 8 -7.150 -0.696 -0.021
72 HA ARG 8 HA ARG 8 -5.085 -2.129 -1.260
73 HB2 ARG 8 HB2 ARG 8 -6.972 -0.014 -2.097
74 HB3 ARG 8 HB1 ARG 8 -5.520 -0.174 -3.073
75 HG2 ARG 8 HG2 ARG 8 -7.335 -1.464 -4.018
76 HG3 ARG 8 HG1 ARG 8 -6.049 -2.531 -3.458
77 HD2 ARG 8 HD2 ARG 8 -7.286 -3.136 -1.520
78 HD3 ARG 8 HD1 ARG 8 -8.493 -1.890 -1.830
79 HE ARG 8 HE ARG 8 -8.557 -3.483 -4.050
80 HH11 ARG 8 HH11 ARG 8 -8.955 -4.038 -0.616
81 HH12 ARG 8 HH12 ARG 8 -10.088 -5.333 -0.827
82 HH21 ARG 8 HH21 ARG 8 -10.040 -5.196 -4.328
83 HH22 ARG 8 HH22 ARG 8 -10.710 -5.985 -2.935
84 H GLY 9 HN GLY 9 -5.301 1.378 -0.699
85 HA2 GLY 9 HA2 GLY 9 -2.688 2.000 -1.472
86 HA3 GLY 9 HA1 GLY 9 -3.672 2.958 -0.378
87 H TYR 10 HN TYR 10 -3.936 0.704 1.492
88 HA TYR 10 HA TYR 10 -1.776 1.200 3.191
89 HB2 TYR 10 HB2 TYR 10 -3.742 0.439 4.219
90 HB3 TYR 10 HB1 TYR 10 -3.908 -0.915 3.110
91 HD1 TYR 10 HD1 TYR 10 -1.670 0.369 5.809
92 HD2 TYR 10 HD2 TYR 10 -3.252 -3.022 3.781
93 HE1 TYR 10 HE1 TYR 10 -0.586 -1.109 7.448
94 HE2 TYR 10 HE2 TYR 10 -2.168 -4.508 5.414
95 HH TYR 10 HH TYR 10 -0.280 -4.461 6.976
96 H TRP 11 HN TRP 11 -2.446 -1.749 1.239
97 HA TRP 11 HA TRP 11 0.135 -2.767 2.000
98 HB2 TRP 11 HB2 TRP 11 -0.396 -4.741 0.721
99 HB3 TRP 11 HB1 TRP 11 -1.749 -4.299 1.740
100 HD1 TRP 11 HD1 TRP 11 -4.014 -3.628 0.555
101 HE1 TRP 11 HE1 TRP 11 -4.877 -3.981 -1.841
102 HE3 TRP 11 HE3 TRP 11 0.406 -4.748 -1.742
103 HZ2 TRP 11 HZ2 TRP 11 -3.828 -4.647 -4.365
104 HZ3 TRP 11 HZ3 TRP 11 0.389 -5.243 -4.151
105 HH2 TRP 11 HH2 TRP 11 -1.687 -5.193 -5.435
106 H LEU 12 HN LEU 12 -1.188 -1.074 -0.722
107 HA LEU 12 HA LEU 12 0.869 -1.606 -2.571
108 HB2 LEU 12 HB2 LEU 12 -1.008 0.729 -2.277
109 HB3 LEU 12 HB1 LEU 12 0.097 0.548 -3.623
110 HG LEU 12 HG LEU 12 -2.005 -1.496 -2.928
111 HD11 LEU 12 HD11 LEU 12 -3.069 0.642 -3.483
112 HD12 LEU 12 HD12 LEU 12 -3.315 -0.544 -4.764
113 HD13 LEU 12 HD13 LEU 12 -2.118 0.735 -4.965
114 HD21 LEU 12 HD21 LEU 12 -0.337 -1.023 -5.402
115 HD22 LEU 12 HD22 LEU 12 -1.600 -2.241 -5.234
116 HD23 LEU 12 HD23 LEU 12 -0.143 -2.342 -4.247
117 H THR 13 HN THR 13 0.725 0.481 0.185
118 HA THR 13 HA THR 13 3.235 1.751 -0.572
119 HB THR 13 HB THR 13 2.971 2.909 1.681
120 HG1 THR 13 HG1 THR 13 0.256 2.119 1.492
121 HG21 THR 13 HG21 THR 13 2.435 3.967 -0.468
122 HG22 THR 13 HG22 THR 13 1.329 4.487 0.803
123 HG23 THR 13 HG23 THR 13 0.806 3.295 -0.388
124 H ASN 14 HN ASN 14 2.017 -0.686 1.631
125 HA ASN 14 HA ASN 14 4.390 -0.606 3.286
126 HB2 ASN 14 HB2 ASN 14 1.740 -1.929 3.426
127 HB3 ASN 14 HB1 ASN 14 3.056 -2.589 4.394
128 HD21 ASN 14 HD21 ASN 14 1.032 0.208 3.836
129 HD22 ASN 14 HD22 ASN 14 1.349 0.975 5.355
130 H LYS 15 HN LYS 15 2.950 -2.913 0.976
131 HA LYS 15 HA LYS 15 4.762 -5.035 1.565
132 HB2 LYS 15 HB2 LYS 15 3.175 -4.494 -0.931
133 HB3 LYS 15 HB1 LYS 15 4.057 -5.974 -0.599
134 HG2 LYS 15 HG2 LYS 15 2.627 -6.111 1.521
135 HG3 LYS 15 HG1 LYS 15 1.621 -4.901 0.717
136 HD2 LYS 15 HD2 LYS 15 1.378 -6.396 -1.210
137 HD3 LYS 15 HD1 LYS 15 2.388 -7.590 -0.404
138 HE2 LYS 15 HE2 LYS 15 -0.266 -6.596 0.624
139 HE3 LYS 15 HE1 LYS 15 -0.026 -8.097 -0.262
140 HZ1 LYS 15 HZ1 LYS 15 1.227 -7.435 2.346
141 HZ2 LYS 15 HZ2 LYS 15 1.390 -8.891 1.504
142 HZ3 LYS 15 HZ3 LYS 15 -0.113 -8.445 2.134
143 H VAL 16 HN VAL 16 5.261 -2.118 0.278
144 HA VAL 16 HA VAL 16 7.208 -2.878 -1.745
145 HB VAL 16 HB VAL 16 6.511 -0.078 -0.936
146 HG11 VAL 16 HG11 VAL 16 7.286 -1.311 -3.572
147 HG12 VAL 16 HG12 VAL 16 8.343 -0.378 -2.513
148 HG13 VAL 16 HG13 VAL 16 6.962 0.398 -3.290
149 HG21 VAL 16 HG21 VAL 16 4.401 -1.309 -1.183
150 HG22 VAL 16 HG22 VAL 16 4.910 -1.827 -2.796
151 HG23 VAL 16 HG23 VAL 16 4.626 -0.117 -2.471
152 HA PRO 17 HA PRO 17 10.271 -2.444 1.550
153 HB2 PRO 17 HB2 PRO 17 12.387 -3.214 0.005
154 HB3 PRO 17 HB1 PRO 17 11.308 -4.351 0.821
155 HG2 PRO 17 HG2 PRO 17 11.330 -3.470 -2.033
156 HG3 PRO 17 HG1 PRO 17 11.026 -5.082 -1.358
157 HD2 PRO 17 HD2 PRO 17 9.041 -3.450 -2.217
158 HD3 PRO 17 HD1 PRO 17 8.824 -4.604 -0.886
159 H ILE 18 HN ILE 18 11.143 -0.540 2.059
160 HA ILE 18 HA ILE 18 11.743 1.372 -0.033
161 HB ILE 18 HB ILE 18 12.081 1.719 2.954
162 HG12 ILE 18 HG12 ILE 18 9.738 2.484 1.195
163 HG13 ILE 18 HG11 ILE 18 9.745 1.159 2.352
164 HG21 ILE 18 HG21 ILE 18 11.969 4.121 2.419
165 HG22 ILE 18 HG22 ILE 18 11.899 3.720 0.702
166 HG23 ILE 18 HG23 ILE 18 13.339 3.328 1.641
167 HD11 ILE 18 HD11 ILE 18 10.051 2.755 4.173
168 HD12 ILE 18 HD12 ILE 18 8.596 3.104 3.238
169 HD13 ILE 18 HD13 ILE 18 10.047 4.080 3.009
170 H LYS 19 HN LYS 19 13.406 -0.136 -0.847
171 HA LYS 19 HA LYS 19 15.812 -0.550 0.603
172 HB2 LYS 19 HB2 LYS 19 14.908 -1.921 -1.347
173 HB3 LYS 19 HB1 LYS 19 15.471 -0.624 -2.392
174 HG2 LYS 19 HG2 LYS 19 17.744 -0.957 -1.592
175 HG3 LYS 19 HG1 LYS 19 17.173 -2.247 -0.536
176 HD2 LYS 19 HD2 LYS 19 16.404 -3.496 -2.518
177 HD3 LYS 19 HD1 LYS 19 17.049 -2.216 -3.549
178 HE2 LYS 19 HE2 LYS 19 18.611 -4.070 -3.424
179 HE3 LYS 19 HE1 LYS 19 19.291 -2.637 -2.657
180 HZ1 LYS 19 HZ1 LYS 19 18.035 -4.927 -1.244
181 HZ2 LYS 19 HZ2 LYS 19 18.675 -3.551 -0.503
182 HZ3 LYS 19 HZ3 LYS 19 19.693 -4.610 -1.335
183 H ARG 20 HN ARG 20 14.790 1.666 -1.935
184 HA ARG 20 HA ARG 20 17.215 3.258 -1.547
185 HB2 ARG 20 HB2 ARG 20 15.038 3.364 -3.645
186 HB3 ARG 20 HB1 ARG 20 16.356 4.527 -3.546
187 HG2 ARG 20 HG2 ARG 20 17.975 2.786 -3.926
188 HG3 ARG 20 HG1 ARG 20 16.711 1.562 -3.898
189 HD2 ARG 20 HD2 ARG 20 17.363 2.072 -6.183
190 HD3 ARG 20 HD1 ARG 20 15.698 2.566 -5.887
191 HE ARG 20 HE ARG 20 17.386 4.758 -5.413
192 HH11 ARG 20 HH11 ARG 20 16.339 2.752 -8.080
193 HH12 ARG 20 HH12 ARG 20 16.417 4.035 -9.245
194 HH21 ARG 20 HH21 ARG 20 17.514 6.448 -6.951
195 HH22 ARG 20 HH22 ARG 20 17.097 6.135 -8.606
196 HA PRO 21 HA PRO 21 15.447 6.036 1.364
197 HB2 PRO 21 HB2 PRO 21 16.710 8.064 -0.434
198 HB3 PRO 21 HB1 PRO 21 16.798 7.913 1.324
199 HG2 PRO 21 HG2 PRO 21 18.811 7.118 -0.254
200 HG3 PRO 21 HG1 PRO 21 18.398 6.254 1.236
201 HD2 PRO 21 HD2 PRO 21 17.989 5.449 -1.577
202 HD3 PRO 21 HD1 PRO 21 18.119 4.449 -0.119
203 H SER 22 HN SER 22 13.262 6.121 1.119
204 HA SER 22 HA SER 22 12.224 8.049 -0.837
205 HB2 SER 22 HB2 SER 22 10.887 5.410 -0.184
206 HB3 SER 22 HB1 SER 22 10.370 6.595 -1.383
207 HG SER 22 HG SER 22 12.814 5.130 -1.434
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 -13.473 7.646 2.522
2 H2 LEU 1 HT2 LEU 1 -12.310 8.862 2.667
3 H3 LEU 1 HT3 LEU 1 -11.876 7.245 2.904
4 HA LEU 1 HA LEU 1 -12.869 8.374 0.373
5 HB2 LEU 1 HB2 LEU 1 -10.478 7.968 -0.379
6 HB3 LEU 1 HB1 LEU 1 -10.795 9.368 0.625
7 HG LEU 1 HG LEU 1 -10.067 7.761 2.573
8 HD11 LEU 1 HD11 LEU 1 -9.881 5.752 1.187
9 HD12 LEU 1 HD12 LEU 1 -8.338 6.190 1.918
10 HD13 LEU 1 HD13 LEU 1 -8.638 6.542 0.215
11 HD21 LEU 1 HD21 LEU 1 -8.986 9.835 1.924
12 HD22 LEU 1 HD22 LEU 1 -8.125 8.992 0.637
13 HD23 LEU 1 HD23 LEU 1 -7.799 8.593 2.324
14 H ARG 2 HN ARG 2 -13.911 6.074 1.627
15 HA ARG 2 HA ARG 2 -14.587 3.979 1.058
16 HB2 ARG 2 HB2 ARG 2 -14.229 4.793 -1.314
17 HB3 ARG 2 HB1 ARG 2 -12.639 4.053 -1.228
18 HG2 ARG 2 HG2 ARG 2 -13.983 2.495 -2.331
19 HG3 ARG 2 HG1 ARG 2 -13.829 1.887 -0.683
20 HD2 ARG 2 HD2 ARG 2 -16.159 3.564 -1.575
21 HD3 ARG 2 HD1 ARG 2 -16.143 1.814 -1.749
22 HE ARG 2 HE ARG 2 -16.156 3.302 0.792
23 HH11 ARG 2 HH11 ARG 2 -16.498 0.305 -0.989
24 HH12 ARG 2 HH12 ARG 2 -17.225 -0.548 0.333
25 HH21 ARG 2 HH21 ARG 2 -17.122 2.174 2.549
26 HH22 ARG 2 HH22 ARG 2 -17.587 0.515 2.340
27 H LEU 3 HN LEU 3 -14.021 2.321 2.256
28 HA LEU 3 HA LEU 3 -11.458 2.051 3.319
29 HB2 LEU 3 HB2 LEU 3 -12.316 -0.263 4.026
30 HB3 LEU 3 HB1 LEU 3 -13.081 1.167 4.696
31 HG LEU 3 HG LEU 3 -14.806 0.818 2.766
32 HD11 LEU 3 HD11 LEU 3 -13.536 -0.930 1.605
33 HD12 LEU 3 HD12 LEU 3 -15.121 -1.500 2.126
34 HD13 LEU 3 HD13 LEU 3 -13.678 -1.966 3.025
35 HD21 LEU 3 HD21 LEU 3 -15.363 0.643 5.090
36 HD22 LEU 3 HD22 LEU 3 -14.620 -0.951 5.185
37 HD23 LEU 3 HD23 LEU 3 -16.080 -0.715 4.224
38 H ILE 4 HN ILE 4 -12.889 0.626 0.508
39 HA ILE 4 HA ILE 4 -11.057 -1.435 0.125
40 HB ILE 4 HB ILE 4 -12.483 0.218 -1.968
41 HG12 ILE 4 HG12 ILE 4 -14.008 -0.966 -0.477
42 HG13 ILE 4 HG11 ILE 4 -14.017 -1.713 -2.068
43 HG21 ILE 4 HG21 ILE 4 -12.030 -1.641 -3.508
44 HG22 ILE 4 HG22 ILE 4 -11.045 -2.416 -2.268
45 HG23 ILE 4 HG23 ILE 4 -10.547 -0.870 -2.949
46 HD11 ILE 4 HD11 ILE 4 -14.051 -3.401 -0.356
47 HD12 ILE 4 HD12 ILE 4 -12.592 -2.735 0.374
48 HD13 ILE 4 HD13 ILE 4 -12.520 -3.469 -1.227
49 H HIS 5 HN HIS 5 -10.932 1.982 -0.791
50 HA HIS 5 HA HIS 5 -8.386 1.824 -2.058
51 HB2 HIS 5 HB2 HIS 5 -9.991 4.129 -0.971
52 HB3 HIS 5 HB1 HIS 5 -8.384 4.356 -1.644
53 HD1 HIS 5 HD1 HIS 5 -8.377 4.939 -4.032
54 HD2 HIS 5 HD2 HIS 5 -11.765 2.776 -2.984
55 HE1 HIS 5 HE1 HIS 5 -9.788 4.847 -6.101
56 HE2 HIS 5 HE2 HIS 5 -11.903 3.679 -5.401
57 H ALA 6 HN ALA 6 -9.484 2.328 1.220
58 HA ALA 6 HA ALA 6 -7.058 3.251 2.316
59 HB1 ALA 6 HB1 ALA 6 -9.233 1.668 3.680
60 HB2 ALA 6 HB2 ALA 6 -9.213 3.420 3.479
61 HB3 ALA 6 HB3 ALA 6 -7.988 2.633 4.473
62 H VAL 7 HN VAL 7 -8.450 -0.034 2.173
63 HA VAL 7 HA VAL 7 -6.160 -1.248 3.334
64 HB VAL 7 HB VAL 7 -8.253 -2.391 3.548
65 HG11 VAL 7 HG11 VAL 7 -9.400 -3.395 1.607
66 HG12 VAL 7 HG12 VAL 7 -8.288 -2.531 0.544
67 HG13 VAL 7 HG13 VAL 7 -9.397 -1.629 1.582
68 HG21 VAL 7 HG21 VAL 7 -6.443 -3.945 1.702
69 HG22 VAL 7 HG22 VAL 7 -7.669 -4.633 2.770
70 HG23 VAL 7 HG23 VAL 7 -6.269 -3.805 3.451
71 H ARG 8 HN ARG 8 -7.196 -0.786 -0.045
72 HA ARG 8 HA ARG 8 -5.116 -2.261 -1.223
73 HB2 ARG 8 HB2 ARG 8 -6.979 -0.152 -2.141
74 HB3 ARG 8 HB1 ARG 8 -5.504 -0.342 -3.078
75 HG2 ARG 8 HG2 ARG 8 -7.296 -1.649 -4.041
76 HG3 ARG 8 HG1 ARG 8 -6.029 -2.704 -3.420
77 HD2 ARG 8 HD2 ARG 8 -7.344 -3.133 -1.421
78 HD3 ARG 8 HD1 ARG 8 -8.602 -2.043 -2.001
79 HE ARG 8 HE ARG 8 -8.403 -3.853 -3.998
80 HH11 ARG 8 HH11 ARG 8 -8.827 -4.127 -0.544
81 HH12 ARG 8 HH12 ARG 8 -9.689 -5.626 -0.628
82 HH21 ARG 8 HH21 ARG 8 -9.562 -5.819 -4.135
83 HH22 ARG 8 HH22 ARG 8 -10.116 -6.589 -2.682
84 H GLY 9 HN GLY 9 -5.339 1.252 -0.703
85 HA2 GLY 9 HA2 GLY 9 -2.732 1.905 -1.424
86 HA3 GLY 9 HA1 GLY 9 -3.717 2.822 -0.295
87 H TYR 10 HN TYR 10 -3.981 0.562 1.541
88 HA TYR 10 HA TYR 10 -1.841 1.007 3.251
89 HB2 TYR 10 HB2 TYR 10 -3.705 0.128 4.312
90 HB3 TYR 10 HB1 TYR 10 -3.961 -1.100 3.078
91 HD1 TYR 10 HD1 TYR 10 -3.440 -3.281 3.583
92 HD2 TYR 10 HD2 TYR 10 -1.462 -0.168 5.710
93 HE1 TYR 10 HE1 TYR 10 -2.318 -4.959 4.989
94 HE2 TYR 10 HE2 TYR 10 -0.340 -1.841 7.121
95 HH TYR 10 HH TYR 10 -0.620 -4.126 7.841
96 H TRP 11 HN TRP 11 -2.404 -2.028 1.380
97 HA TRP 11 HA TRP 11 0.211 -2.915 2.066
98 HB2 TRP 11 HB2 TRP 11 -0.181 -4.820 0.591
99 HB3 TRP 11 HB1 TRP 11 -1.536 -4.544 1.664
100 HD1 TRP 11 HD1 TRP 11 -3.854 -3.811 0.572
101 HE1 TRP 11 HE1 TRP 11 -4.756 -4.066 -1.825
102 HE3 TRP 11 HE3 TRP 11 0.550 -4.731 -1.863
103 HZ2 TRP 11 HZ2 TRP 11 -3.738 -4.574 -4.404
104 HZ3 TRP 11 HZ3 TRP 11 0.495 -5.094 -4.296
105 HH2 TRP 11 HH2 TRP 11 -1.606 -5.019 -5.538
106 H LEU 12 HN LEU 12 -1.139 -1.224 -0.665
107 HA LEU 12 HA LEU 12 0.937 -1.570 -2.491
108 HB2 LEU 12 HB2 LEU 12 -0.975 0.711 -2.062
109 HB3 LEU 12 HB1 LEU 12 0.145 0.646 -3.406
110 HG LEU 12 HG LEU 12 -1.897 -1.507 -2.872
111 HD11 LEU 12 HD11 LEU 12 -2.084 0.872 -4.730
112 HD12 LEU 12 HD12 LEU 12 -3.052 0.608 -3.280
113 HD13 LEU 12 HD13 LEU 12 -3.222 -0.472 -4.662
114 HD21 LEU 12 HD21 LEU 12 -0.232 -0.797 -5.290
115 HD22 LEU 12 HD22 LEU 12 -1.457 -2.064 -5.227
116 HD23 LEU 12 HD23 LEU 12 -0.004 -2.192 -4.236
117 H THR 13 HN THR 13 0.655 0.655 0.229
118 HA THR 13 HA THR 13 3.132 1.993 -0.515
119 HB THR 13 HB THR 13 2.718 3.322 1.587
120 HG1 THR 13 HG1 THR 13 0.096 2.258 1.551
121 HG21 THR 13 HG21 THR 13 0.859 4.597 0.635
122 HG22 THR 13 HG22 THR 13 0.501 3.259 -0.457
123 HG23 THR 13 HG23 THR 13 2.023 4.137 -0.607
124 H ASN 14 HN ASN 14 2.302 -0.765 1.163
125 HA ASN 14 HA ASN 14 4.436 -0.468 3.150
126 HB2 ASN 14 HB2 ASN 14 1.958 -2.060 2.985
127 HB3 ASN 14 HB1 ASN 14 3.304 -2.777 3.870
128 HD21 ASN 14 HD21 ASN 14 1.071 -0.097 3.722
129 HD22 ASN 14 HD22 ASN 14 1.322 0.459 5.341
130 H LYS 15 HN LYS 15 3.475 -2.508 0.433
131 HA LYS 15 HA LYS 15 5.467 -4.482 0.676
132 HB2 LYS 15 HB2 LYS 15 4.457 -3.316 -1.927
133 HB3 LYS 15 HB1 LYS 15 5.145 -4.911 -1.679
134 HG2 LYS 15 HG2 LYS 15 2.568 -3.976 -0.454
135 HG3 LYS 15 HG1 LYS 15 2.682 -4.872 -1.969
136 HD2 LYS 15 HD2 LYS 15 3.781 -5.882 0.646
137 HD3 LYS 15 HD1 LYS 15 2.157 -6.254 0.067
138 HE2 LYS 15 HE2 LYS 15 3.275 -7.117 -2.044
139 HE3 LYS 15 HE1 LYS 15 4.795 -7.018 -1.158
140 HZ1 LYS 15 HZ1 LYS 15 3.878 -8.526 0.498
141 HZ2 LYS 15 HZ2 LYS 15 3.856 -9.231 -1.039
142 HZ3 LYS 15 HZ3 LYS 15 2.427 -8.622 -0.367
143 H VAL 16 HN VAL 16 5.540 -1.213 -0.233
144 HA VAL 16 HA VAL 16 7.827 -1.049 -1.831
145 HB VAL 16 HB VAL 16 6.979 1.104 0.081
146 HG11 VAL 16 HG11 VAL 16 7.593 2.580 -1.784
147 HG12 VAL 16 HG12 VAL 16 8.061 1.166 -2.729
148 HG13 VAL 16 HG13 VAL 16 8.937 1.568 -1.253
149 HG21 VAL 16 HG21 VAL 16 4.913 0.264 -0.823
150 HG22 VAL 16 HG22 VAL 16 5.575 0.304 -2.461
151 HG23 VAL 16 HG23 VAL 16 5.296 1.811 -1.589
152 HA PRO 17 HA PRO 17 10.955 -1.694 1.364
153 HB2 PRO 17 HB2 PRO 17 12.791 -0.852 -0.743
154 HB3 PRO 17 HB1 PRO 17 12.731 -2.383 0.129
155 HG2 PRO 17 HG2 PRO 17 12.040 -2.173 -2.480
156 HG3 PRO 17 HG1 PRO 17 11.288 -3.344 -1.380
157 HD2 PRO 17 HD2 PRO 17 10.233 -0.737 -2.388
158 HD3 PRO 17 HD1 PRO 17 9.376 -2.261 -2.079
159 H ILE 18 HN ILE 18 11.440 -0.130 2.777
160 HA ILE 18 HA ILE 18 11.230 2.623 1.923
161 HB ILE 18 HB ILE 18 11.765 1.559 4.704
162 HG12 ILE 18 HG12 ILE 18 9.150 2.427 3.446
163 HG13 ILE 18 HG11 ILE 18 9.612 0.760 3.769
164 HG21 ILE 18 HG21 ILE 18 12.433 3.880 4.434
165 HG22 ILE 18 HG22 ILE 18 10.985 3.776 5.435
166 HG23 ILE 18 HG23 ILE 18 10.856 4.275 3.749
167 HD11 ILE 18 HD11 ILE 18 8.084 1.611 5.456
168 HD12 ILE 18 HD12 ILE 18 9.217 2.909 5.836
169 HD13 ILE 18 HD13 ILE 18 9.660 1.231 6.156
170 H LYS 19 HN LYS 19 13.096 2.581 0.585
171 HA LYS 19 HA LYS 19 15.714 2.292 1.648
172 HB2 LYS 19 HB2 LYS 19 14.940 2.159 -0.804
173 HB3 LYS 19 HB1 LYS 19 14.938 3.915 -0.777
174 HG2 LYS 19 HG2 LYS 19 17.350 2.285 -0.084
175 HG3 LYS 19 HG1 LYS 19 16.987 2.795 -1.729
176 HD2 LYS 19 HD2 LYS 19 17.032 5.135 -1.012
177 HD3 LYS 19 HD1 LYS 19 17.392 4.624 0.638
178 HE2 LYS 19 HE2 LYS 19 19.118 4.099 -1.776
179 HE3 LYS 19 HE1 LYS 19 19.398 5.360 -0.578
180 HZ1 LYS 19 HZ1 LYS 19 19.620 3.618 1.109
181 HZ2 LYS 19 HZ2 LYS 19 20.769 3.455 -0.120
182 HZ3 LYS 19 HZ3 LYS 19 19.423 2.434 -0.081
183 H ARG 20 HN ARG 20 13.866 5.141 0.601
184 HA ARG 20 HA ARG 20 15.476 6.806 2.401
185 HB2 ARG 20 HB2 ARG 20 14.491 8.717 1.177
186 HB3 ARG 20 HB1 ARG 20 15.359 7.621 0.113
187 HG2 ARG 20 HG2 ARG 20 13.397 6.794 -0.834
188 HG3 ARG 20 HG1 ARG 20 12.396 7.403 0.485
189 HD2 ARG 20 HD2 ARG 20 13.855 9.089 -1.544
190 HD3 ARG 20 HD1 ARG 20 12.130 8.732 -1.552
191 HE ARG 20 HE ARG 20 13.371 10.139 0.715
192 HH11 ARG 20 HH11 ARG 20 11.007 10.033 -1.868
193 HH12 ARG 20 HH12 ARG 20 10.164 11.447 -1.322
194 HH21 ARG 20 HH21 ARG 20 12.269 11.999 1.431
195 HH22 ARG 20 HH22 ARG 20 10.885 12.570 0.551
196 HA PRO 21 HA PRO 21 12.102 7.098 5.324
197 HB2 PRO 21 HB2 PRO 21 13.067 9.859 5.787
198 HB3 PRO 21 HB1 PRO 21 12.882 8.526 6.931
199 HG2 PRO 21 HG2 PRO 21 15.298 9.318 6.108
200 HG3 PRO 21 HG1 PRO 21 14.934 7.607 6.396
201 HD2 PRO 21 HD2 PRO 21 15.131 9.094 3.809
202 HD3 PRO 21 HD1 PRO 21 15.687 7.457 4.218
203 H SER 22 HN SER 22 10.457 7.146 3.735
204 HA SER 22 HA SER 22 9.735 9.707 2.565
205 HB2 SER 22 HB2 SER 22 8.416 7.010 2.195
206 HB3 SER 22 HB1 SER 22 8.222 8.436 1.176
207 HG SER 22 HG SER 22 10.750 7.227 1.595
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 -15.347 8.342 -0.246
2 H2 LEU 1 HT2 LEU 1 -14.482 9.538 0.576
3 H3 LEU 1 HT3 LEU 1 -15.575 8.557 1.415
4 HA LEU 1 HA LEU 1 -13.137 7.579 0.069
5 HB2 LEU 1 HB2 LEU 1 -13.669 8.446 2.876
6 HB3 LEU 1 HB1 LEU 1 -12.570 7.115 2.601
7 HG LEU 1 HG LEU 1 -11.194 8.610 1.158
8 HD11 LEU 1 HD11 LEU 1 -13.073 10.735 2.163
9 HD12 LEU 1 HD12 LEU 1 -12.866 10.217 0.491
10 HD13 LEU 1 HD13 LEU 1 -11.549 11.035 1.331
11 HD21 LEU 1 HD21 LEU 1 -11.654 9.553 3.984
12 HD22 LEU 1 HD22 LEU 1 -10.220 9.880 3.007
13 HD23 LEU 1 HD23 LEU 1 -10.605 8.225 3.484
14 H ARG 2 HN ARG 2 -12.721 5.362 0.401
15 HA ARG 2 HA ARG 2 -14.842 3.792 1.668
16 HB2 ARG 2 HB2 ARG 2 -15.260 3.997 -0.835
17 HB3 ARG 2 HB1 ARG 2 -13.762 3.103 -1.053
18 HG2 ARG 2 HG2 ARG 2 -15.716 1.651 -1.237
19 HG3 ARG 2 HG1 ARG 2 -14.683 1.195 0.117
20 HD2 ARG 2 HD2 ARG 2 -16.186 2.336 1.660
21 HD3 ARG 2 HD1 ARG 2 -17.204 2.841 0.314
22 HE ARG 2 HE ARG 2 -17.371 0.269 -0.033
23 HH11 ARG 2 HH11 ARG 2 -17.296 1.954 3.035
24 HH12 ARG 2 HH12 ARG 2 -18.259 0.770 3.855
25 HH21 ARG 2 HH21 ARG 2 -18.660 -1.286 1.040
26 HH22 ARG 2 HH22 ARG 2 -19.038 -1.076 2.721
27 H LEU 3 HN LEU 3 -14.145 1.922 2.559
28 HA LEU 3 HA LEU 3 -11.517 1.797 3.386
29 HB2 LEU 3 HB2 LEU 3 -12.160 -0.622 4.023
30 HB3 LEU 3 HB1 LEU 3 -12.922 0.733 4.841
31 HG LEU 3 HG LEU 3 -14.835 0.432 3.144
32 HD11 LEU 3 HD11 LEU 3 -13.510 -2.258 2.847
33 HD12 LEU 3 HD12 LEU 3 -13.632 -1.028 1.588
34 HD13 LEU 3 HD13 LEU 3 -15.092 -1.796 2.215
35 HD21 LEU 3 HD21 LEU 3 -15.835 -1.350 4.494
36 HD22 LEU 3 HD22 LEU 3 -15.046 -0.120 5.480
37 HD23 LEU 3 HD23 LEU 3 -14.256 -1.673 5.208
38 H ILE 4 HN ILE 4 -12.947 0.369 0.583
39 HA ILE 4 HA ILE 4 -11.015 -1.556 0.046
40 HB ILE 4 HB ILE 4 -12.639 0.129 -1.863
41 HG12 ILE 4 HG12 ILE 4 -13.938 -1.394 -0.458
42 HG13 ILE 4 HG11 ILE 4 -13.952 -1.934 -2.131
43 HG21 ILE 4 HG21 ILE 4 -12.044 -1.482 -3.616
44 HG22 ILE 4 HG22 ILE 4 -10.918 -2.263 -2.504
45 HG23 ILE 4 HG23 ILE 4 -10.636 -0.601 -3.022
46 HD11 ILE 4 HD11 ILE 4 -13.701 -3.827 -0.699
47 HD12 ILE 4 HD12 ILE 4 -12.333 -3.083 0.124
48 HD13 ILE 4 HD13 ILE 4 -12.186 -3.573 -1.564
49 H HIS 5 HN HIS 5 -11.097 1.884 -0.823
50 HA HIS 5 HA HIS 5 -8.563 1.894 -2.106
51 HB2 HIS 5 HB2 HIS 5 -10.260 4.093 -0.931
52 HB3 HIS 5 HB1 HIS 5 -8.692 4.411 -1.656
53 HD1 HIS 5 HD1 HIS 5 -8.992 5.299 -3.931
54 HD2 HIS 5 HD2 HIS 5 -11.847 2.420 -3.014
55 HE1 HIS 5 HE1 HIS 5 -10.432 5.095 -5.977
56 HE2 HIS 5 HE2 HIS 5 -12.104 3.296 -5.436
57 H ALA 6 HN ALA 6 -9.644 2.311 1.192
58 HA ALA 6 HA ALA 6 -7.276 3.330 2.298
59 HB1 ALA 6 HB1 ALA 6 -8.161 2.621 4.442
60 HB2 ALA 6 HB2 ALA 6 -9.344 1.593 3.634
61 HB3 ALA 6 HB3 ALA 6 -9.436 3.345 3.462
62 H VAL 7 HN VAL 7 -8.459 -0.038 2.127
63 HA VAL 7 HA VAL 7 -6.106 -1.099 3.305
64 HB VAL 7 HB VAL 7 -8.117 -2.380 3.491
65 HG11 VAL 7 HG11 VAL 7 -8.109 -2.550 0.486
66 HG12 VAL 7 HG12 VAL 7 -9.282 -1.701 1.498
67 HG13 VAL 7 HG13 VAL 7 -9.179 -3.462 1.551
68 HG21 VAL 7 HG21 VAL 7 -6.060 -3.661 3.450
69 HG22 VAL 7 HG22 VAL 7 -6.154 -3.792 1.693
70 HG23 VAL 7 HG23 VAL 7 -7.367 -4.577 2.704
71 H ARG 8 HN ARG 8 -7.122 -0.650 -0.063
72 HA ARG 8 HA ARG 8 -5.032 -2.071 -1.264
73 HB2 ARG 8 HB2 ARG 8 -6.914 0.035 -2.131
74 HB3 ARG 8 HB1 ARG 8 -5.443 -0.123 -3.082
75 HG2 ARG 8 HG2 ARG 8 -7.242 -1.430 -4.044
76 HG3 ARG 8 HG1 ARG 8 -5.947 -2.478 -3.474
77 HD2 ARG 8 HD2 ARG 8 -7.203 -3.054 -1.514
78 HD3 ARG 8 HD1 ARG 8 -8.450 -1.878 -1.915
79 HE ARG 8 HE ARG 8 -8.337 -3.576 -4.068
80 HH11 ARG 8 HH11 ARG 8 -8.894 -3.953 -0.636
81 HH12 ARG 8 HH12 ARG 8 -9.981 -5.289 -0.827
82 HH21 ARG 8 HH21 ARG 8 -9.787 -5.322 -4.326
83 HH22 ARG 8 HH22 ARG 8 -10.494 -6.063 -2.926
84 H GLY 9 HN GLY 9 -5.259 1.444 -0.734
85 HA2 GLY 9 HA2 GLY 9 -2.642 2.069 -1.477
86 HA3 GLY 9 HA1 GLY 9 -3.628 3.022 -0.376
87 H TYR 10 HN TYR 10 -3.934 0.909 1.563
88 HA TYR 10 HA TYR 10 -1.743 1.295 3.221
89 HB2 TYR 10 HB2 TYR 10 -3.676 0.578 4.305
90 HB3 TYR 10 HB1 TYR 10 -3.964 -0.718 3.153
91 HD1 TYR 10 HD1 TYR 10 -3.487 -2.877 3.767
92 HD2 TYR 10 HD2 TYR 10 -1.490 0.296 5.778
93 HE1 TYR 10 HE1 TYR 10 -2.447 -4.501 5.284
94 HE2 TYR 10 HE2 TYR 10 -0.447 -1.325 7.304
95 HH TYR 10 HH TYR 10 -0.796 -3.571 8.131
96 H TRP 11 HN TRP 11 -2.503 -1.732 1.403
97 HA TRP 11 HA TRP 11 0.032 -2.790 2.197
98 HB2 TRP 11 HB2 TRP 11 -0.522 -4.776 0.972
99 HB3 TRP 11 HB1 TRP 11 -1.927 -4.242 1.870
100 HD1 TRP 11 HD1 TRP 11 -4.079 -3.556 0.494
101 HE1 TRP 11 HE1 TRP 11 -4.765 -3.958 -1.953
102 HE3 TRP 11 HE3 TRP 11 0.468 -4.861 -1.417
103 HZ2 TRP 11 HZ2 TRP 11 -3.535 -4.726 -4.378
104 HZ3 TRP 11 HZ3 TRP 11 0.634 -5.421 -3.805
105 HH2 TRP 11 HH2 TRP 11 -1.328 -5.352 -5.255
106 H LEU 12 HN LEU 12 -1.137 -1.121 -0.611
107 HA LEU 12 HA LEU 12 0.926 -1.753 -2.398
108 HB2 LEU 12 HB2 LEU 12 -0.830 0.673 -2.130
109 HB3 LEU 12 HB1 LEU 12 0.302 0.461 -3.450
110 HG LEU 12 HG LEU 12 -1.910 -1.494 -2.831
111 HD11 LEU 12 HD11 LEU 12 -1.851 0.750 -4.859
112 HD12 LEU 12 HD12 LEU 12 -2.862 0.684 -3.416
113 HD13 LEU 12 HD13 LEU 12 -3.107 -0.479 -4.718
114 HD21 LEU 12 HD21 LEU 12 -1.466 -2.255 -5.127
115 HD22 LEU 12 HD22 LEU 12 -0.050 -2.426 -4.089
116 HD23 LEU 12 HD23 LEU 12 -0.139 -1.098 -5.246
117 H THR 13 HN THR 13 0.789 0.554 0.239
118 HA THR 13 HA THR 13 3.310 1.775 -0.550
119 HB THR 13 HB THR 13 2.981 3.101 1.586
120 HG1 THR 13 HG1 THR 13 0.304 2.194 1.522
121 HG21 THR 13 HG21 THR 13 1.197 4.491 0.640
122 HG22 THR 13 HG22 THR 13 0.791 3.195 -0.485
123 HG23 THR 13 HG23 THR 13 2.358 3.997 -0.593
124 H ASN 14 HN ASN 14 2.341 -0.902 1.200
125 HA ASN 14 HA ASN 14 4.584 -0.760 3.078
126 HB2 ASN 14 HB2 ASN 14 2.006 -2.218 3.009
127 HB3 ASN 14 HB1 ASN 14 3.340 -2.965 3.880
128 HD21 ASN 14 HD21 ASN 14 1.175 -0.233 3.735
129 HD22 ASN 14 HD22 ASN 14 1.483 0.340 5.339
130 H LYS 15 HN LYS 15 3.582 -2.387 0.207
131 HA LYS 15 HA LYS 15 5.378 -4.615 0.420
132 HB2 LYS 15 HB2 LYS 15 4.062 -3.339 -1.982
133 HB3 LYS 15 HB1 LYS 15 4.972 -4.840 -2.028
134 HG2 LYS 15 HG2 LYS 15 2.509 -4.380 -0.382
135 HG3 LYS 15 HG1 LYS 15 2.522 -5.150 -1.973
136 HD2 LYS 15 HD2 LYS 15 4.123 -6.844 -1.040
137 HD3 LYS 15 HD1 LYS 15 3.848 -6.140 0.553
138 HE2 LYS 15 HE2 LYS 15 1.697 -7.292 -1.218
139 HE3 LYS 15 HE1 LYS 15 2.474 -8.156 0.108
140 HZ1 LYS 15 HZ1 LYS 15 1.597 -6.595 1.662
141 HZ2 LYS 15 HZ2 LYS 15 0.319 -7.143 0.699
142 HZ3 LYS 15 HZ3 LYS 15 0.984 -5.614 0.430
143 H VAL 16 HN VAL 16 5.876 -1.430 0.133
144 HA VAL 16 HA VAL 16 7.836 -1.357 -1.969
145 HB VAL 16 HB VAL 16 7.254 0.834 0.003
146 HG11 VAL 16 HG11 VAL 16 9.104 1.195 -1.547
147 HG12 VAL 16 HG12 VAL 16 7.764 2.286 -1.896
148 HG13 VAL 16 HG13 VAL 16 8.033 0.869 -2.910
149 HG21 VAL 16 HG21 VAL 16 5.386 1.542 -1.369
150 HG22 VAL 16 HG22 VAL 16 5.111 -0.109 -0.789
151 HG23 VAL 16 HG23 VAL 16 5.635 0.176 -2.454
152 HA PRO 17 HA PRO 17 11.290 -2.470 0.681
153 HB2 PRO 17 HB2 PRO 17 12.770 -1.111 -1.497
154 HB3 PRO 17 HB1 PRO 17 13.009 -2.719 -0.810
155 HG2 PRO 17 HG2 PRO 17 11.896 -2.409 -3.211
156 HG3 PRO 17 HG1 PRO 17 11.327 -3.662 -2.092
157 HD2 PRO 17 HD2 PRO 17 10.094 -1.030 -2.781
158 HD3 PRO 17 HD1 PRO 17 9.316 -2.591 -2.447
159 H ILE 18 HN ILE 18 12.418 -1.353 2.197
160 HA ILE 18 HA ILE 18 12.179 1.553 2.117
161 HB ILE 18 HB ILE 18 12.656 -0.130 4.583
162 HG12 ILE 18 HG12 ILE 18 10.045 1.033 3.574
163 HG13 ILE 18 HG11 ILE 18 10.464 -0.677 3.547
164 HG21 ILE 18 HG21 ILE 18 13.354 2.240 4.664
165 HG22 ILE 18 HG22 ILE 18 12.035 1.883 5.780
166 HG23 ILE 18 HG23 ILE 18 11.705 2.717 4.262
167 HD11 ILE 18 HD11 ILE 18 10.148 1.027 6.006
168 HD12 ILE 18 HD12 ILE 18 10.570 -0.688 5.984
169 HD13 ILE 18 HD13 ILE 18 8.991 -0.159 5.399
170 H LYS 19 HN LYS 19 13.907 2.458 1.531
171 HA LYS 19 HA LYS 19 16.383 1.337 1.105
172 HB2 LYS 19 HB2 LYS 19 15.452 3.338 -0.010
173 HB3 LYS 19 HB1 LYS 19 15.703 4.255 1.467
174 HG2 LYS 19 HG2 LYS 19 17.495 4.777 0.030
175 HG3 LYS 19 HG1 LYS 19 18.120 3.707 1.282
176 HD2 LYS 19 HD2 LYS 19 19.038 2.980 -0.797
177 HD3 LYS 19 HD1 LYS 19 17.823 1.798 -0.309
178 HE2 LYS 19 HE2 LYS 19 16.202 2.874 -1.811
179 HE3 LYS 19 HE1 LYS 19 17.440 4.020 -2.316
180 HZ1 LYS 19 HZ1 LYS 19 17.266 2.271 -3.919
181 HZ2 LYS 19 HZ2 LYS 19 17.474 1.082 -2.734
182 HZ3 LYS 19 HZ3 LYS 19 18.750 2.122 -3.123
183 H ARG 20 HN ARG 20 15.120 2.385 4.094
184 HA ARG 20 HA ARG 20 17.340 3.423 5.399
185 HB2 ARG 20 HB2 ARG 20 16.281 2.843 7.473
186 HB3 ARG 20 HB1 ARG 20 15.038 3.356 6.344
187 HG2 ARG 20 HG2 ARG 20 14.272 1.150 6.029
188 HG3 ARG 20 HG1 ARG 20 15.699 0.463 6.804
189 HD2 ARG 20 HD2 ARG 20 13.589 2.137 8.165
190 HD3 ARG 20 HD1 ARG 20 13.740 0.383 8.272
191 HE ARG 20 HE ARG 20 16.020 2.009 9.105
192 HH11 ARG 20 HH11 ARG 20 13.295 0.013 10.022
193 HH12 ARG 20 HH12 ARG 20 13.899 -0.295 11.620
194 HH21 ARG 20 HH21 ARG 20 16.820 1.609 11.194
195 HH22 ARG 20 HH22 ARG 20 15.905 0.620 12.288
196 HA PRO 21 HA PRO 21 20.221 0.022 5.531
197 HB2 PRO 21 HB2 PRO 21 21.191 1.337 7.997
198 HB3 PRO 21 HB1 PRO 21 22.071 0.928 6.523
199 HG2 PRO 21 HG2 PRO 21 21.431 3.459 7.103
200 HG3 PRO 21 HG1 PRO 21 21.410 2.856 5.435
201 HD2 PRO 21 HD2 PRO 21 19.129 3.365 7.297
202 HD3 PRO 21 HD1 PRO 21 19.247 3.642 5.548
203 H SER 22 HN SER 22 18.996 -1.724 6.115
204 HA SER 22 HA SER 22 18.190 -1.996 8.914
205 HB2 SER 22 HB2 SER 22 17.458 -3.796 6.597
206 HB3 SER 22 HB1 SER 22 16.662 -3.682 8.168
207 HG SER 22 HG SER 22 16.806 -1.312 6.751
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 -11.640 9.587 -0.557
2 H2 LEU 1 HT2 LEU 1 -11.391 8.397 -1.728
3 H3 LEU 1 HT3 LEU 1 -10.150 9.479 -1.347
4 HA LEU 1 HA LEU 1 -9.738 7.333 -0.356
5 HB2 LEU 1 HB2 LEU 1 -10.541 9.417 1.673
6 HB3 LEU 1 HB1 LEU 1 -9.460 8.069 1.964
7 HG LEU 1 HG LEU 1 -8.936 10.395 0.113
8 HD11 LEU 1 HD11 LEU 1 -7.744 9.625 2.766
9 HD12 LEU 1 HD12 LEU 1 -8.810 10.994 2.454
10 HD13 LEU 1 HD13 LEU 1 -7.198 10.952 1.743
11 HD21 LEU 1 HD21 LEU 1 -7.919 8.363 -0.755
12 HD22 LEU 1 HD22 LEU 1 -7.200 8.030 0.820
13 HD23 LEU 1 HD23 LEU 1 -6.684 9.440 -0.104
14 H ARG 2 HN ARG 2 -10.700 5.478 0.165
15 HA ARG 2 HA ARG 2 -13.125 5.479 1.770
16 HB2 ARG 2 HB2 ARG 2 -13.699 5.676 -0.746
17 HB3 ARG 2 HB1 ARG 2 -13.146 4.011 -0.852
18 HG2 ARG 2 HG2 ARG 2 -14.917 3.194 0.348
19 HG3 ARG 2 HG1 ARG 2 -15.199 4.722 1.181
20 HD2 ARG 2 HD2 ARG 2 -16.954 4.191 -0.472
21 HD3 ARG 2 HD1 ARG 2 -16.116 5.699 -0.818
22 HE ARG 2 HE ARG 2 -15.015 3.437 -2.206
23 HH11 ARG 2 HH11 ARG 2 -17.486 5.915 -2.272
24 HH12 ARG 2 HH12 ARG 2 -17.656 5.882 -3.997
25 HH21 ARG 2 HH21 ARG 2 -15.241 3.387 -4.490
26 HH22 ARG 2 HH22 ARG 2 -16.390 4.440 -5.255
27 H LEU 3 HN LEU 3 -13.810 3.055 2.076
28 HA LEU 3 HA LEU 3 -11.824 1.874 3.547
29 HB2 LEU 3 HB2 LEU 3 -14.475 1.414 3.108
30 HB3 LEU 3 HB1 LEU 3 -13.694 -0.011 2.467
31 HG LEU 3 HG LEU 3 -13.365 1.003 5.282
32 HD11 LEU 3 HD11 LEU 3 -15.604 0.157 4.901
33 HD12 LEU 3 HD12 LEU 3 -14.686 -0.969 5.902
34 HD13 LEU 3 HD13 LEU 3 -14.948 -1.318 4.192
35 HD21 LEU 3 HD21 LEU 3 -12.254 -1.139 5.683
36 HD22 LEU 3 HD22 LEU 3 -11.394 -0.186 4.473
37 HD23 LEU 3 HD23 LEU 3 -12.405 -1.539 3.972
38 H ILE 4 HN ILE 4 -13.009 0.662 0.441
39 HA ILE 4 HA ILE 4 -11.182 -1.421 0.180
40 HB ILE 4 HB ILE 4 -12.564 0.167 -1.973
41 HG12 ILE 4 HG12 ILE 4 -14.097 -0.953 -0.455
42 HG13 ILE 4 HG11 ILE 4 -14.095 -1.764 -2.011
43 HG21 ILE 4 HG21 ILE 4 -11.165 -2.490 -2.194
44 HG22 ILE 4 HG22 ILE 4 -10.615 -0.965 -2.890
45 HG23 ILE 4 HG23 ILE 4 -12.110 -1.707 -3.460
46 HD11 ILE 4 HD11 ILE 4 -12.689 -2.688 0.476
47 HD12 ILE 4 HD12 ILE 4 -12.611 -3.485 -1.094
48 HD13 ILE 4 HD13 ILE 4 -14.146 -3.382 -0.233
49 H HIS 5 HN HIS 5 -10.886 1.964 -0.652
50 HA HIS 5 HA HIS 5 -8.381 1.616 -2.014
51 HB2 HIS 5 HB2 HIS 5 -9.962 4.027 -1.159
52 HB3 HIS 5 HB1 HIS 5 -8.330 4.183 -1.799
53 HD1 HIS 5 HD1 HIS 5 -8.325 4.688 -4.196
54 HD2 HIS 5 HD2 HIS 5 -11.601 2.368 -3.135
55 HE1 HIS 5 HE1 HIS 5 -9.624 4.354 -6.309
56 HE2 HIS 5 HE2 HIS 5 -11.705 3.126 -5.605
57 H ALA 6 HN ALA 6 -9.432 2.084 1.230
58 HA ALA 6 HA ALA 6 -6.981 3.188 2.223
59 HB1 ALA 6 HB1 ALA 6 -9.208 1.823 3.728
60 HB2 ALA 6 HB2 ALA 6 -9.126 3.545 3.358
61 HB3 ALA 6 HB3 ALA 6 -7.929 2.815 4.428
62 H VAL 7 HN VAL 7 -8.416 -0.036 2.067
63 HA VAL 7 HA VAL 7 -6.202 -1.280 3.377
64 HB VAL 7 HB VAL 7 -8.260 -2.429 3.580
65 HG11 VAL 7 HG11 VAL 7 -8.410 -2.466 0.573
66 HG12 VAL 7 HG12 VAL 7 -9.421 -1.513 1.662
67 HG13 VAL 7 HG13 VAL 7 -9.536 -3.273 1.664
68 HG21 VAL 7 HG21 VAL 7 -6.306 -3.878 3.316
69 HG22 VAL 7 HG22 VAL 7 -6.587 -3.943 1.576
70 HG23 VAL 7 HG23 VAL 7 -7.765 -4.642 2.688
71 H ARG 8 HN ARG 8 -7.168 -0.841 -0.020
72 HA ARG 8 HA ARG 8 -5.041 -2.302 -1.124
73 HB2 ARG 8 HB2 ARG 8 -7.047 -0.419 -2.101
74 HB3 ARG 8 HB1 ARG 8 -5.523 -0.323 -2.974
75 HG2 ARG 8 HG2 ARG 8 -6.903 -1.878 -4.117
76 HG3 ARG 8 HG1 ARG 8 -5.638 -2.787 -3.292
77 HD2 ARG 8 HD2 ARG 8 -7.310 -3.128 -1.413
78 HD3 ARG 8 HD1 ARG 8 -8.532 -2.523 -2.531
79 HE ARG 8 HE ARG 8 -6.911 -4.950 -2.969
80 HH11 ARG 8 HH11 ARG 8 -9.846 -3.113 -3.475
81 HH12 ARG 8 HH12 ARG 8 -10.661 -4.404 -4.292
82 HH21 ARG 8 HH21 ARG 8 -7.980 -6.644 -4.044
83 HH22 ARG 8 HH22 ARG 8 -9.600 -6.407 -4.622
84 H GLY 9 HN GLY 9 -5.349 1.203 -0.592
85 HA2 GLY 9 HA2 GLY 9 -2.767 1.914 -1.381
86 HA3 GLY 9 HA1 GLY 9 -3.754 2.819 -0.243
87 H TYR 10 HN TYR 10 -3.942 0.554 1.584
88 HA TYR 10 HA TYR 10 -1.793 1.024 3.282
89 HB2 TYR 10 HB2 TYR 10 -3.694 0.170 4.307
90 HB3 TYR 10 HB1 TYR 10 -3.908 -1.086 3.098
91 HD1 TYR 10 HD1 TYR 10 -3.652 -3.206 3.879
92 HD2 TYR 10 HD2 TYR 10 -1.254 -0.131 5.580
93 HE1 TYR 10 HE1 TYR 10 -2.623 -4.852 5.389
94 HE2 TYR 10 HE2 TYR 10 -0.221 -1.767 7.096
95 HH TYR 10 HH TYR 10 -0.789 -3.977 8.086
96 H TRP 11 HN TRP 11 -2.366 -1.969 1.351
97 HA TRP 11 HA TRP 11 0.246 -2.897 2.047
98 HB2 TRP 11 HB2 TRP 11 -0.201 -4.824 0.631
99 HB3 TRP 11 HB1 TRP 11 -1.562 -4.487 1.681
100 HD1 TRP 11 HD1 TRP 11 -3.858 -3.807 0.554
101 HE1 TRP 11 HE1 TRP 11 -4.724 -4.033 -1.855
102 HE3 TRP 11 HE3 TRP 11 0.578 -4.664 -1.834
103 HZ2 TRP 11 HZ2 TRP 11 -3.677 -4.505 -4.425
104 HZ3 TRP 11 HZ3 TRP 11 0.555 -4.996 -4.270
105 HH2 TRP 11 HH2 TRP 11 -1.528 -4.920 -5.538
106 H LEU 12 HN LEU 12 -1.068 -1.098 -0.602
107 HA LEU 12 HA LEU 12 1.019 -1.498 -2.450
108 HB2 LEU 12 HB2 LEU 12 -0.946 0.746 -2.071
109 HB3 LEU 12 HB1 LEU 12 0.194 0.694 -3.401
110 HG LEU 12 HG LEU 12 -1.800 -1.504 -2.875
111 HD11 LEU 12 HD11 LEU 12 -3.161 -0.519 -4.645
112 HD12 LEU 12 HD12 LEU 12 -2.042 0.837 -4.771
113 HD13 LEU 12 HD13 LEU 12 -2.986 0.607 -3.300
114 HD21 LEU 12 HD21 LEU 12 -1.321 -2.082 -5.201
115 HD22 LEU 12 HD22 LEU 12 0.146 -2.109 -4.225
116 HD23 LEU 12 HD23 LEU 12 -0.172 -0.749 -5.303
117 H THR 13 HN THR 13 0.682 0.687 0.280
118 HA THR 13 HA THR 13 3.128 2.097 -0.428
119 HB THR 13 HB THR 13 2.726 3.294 1.770
120 HG1 THR 13 HG1 THR 13 0.150 2.091 1.624
121 HG21 THR 13 HG21 THR 13 0.877 4.636 0.888
122 HG22 THR 13 HG22 THR 13 0.520 3.370 -0.287
123 HG23 THR 13 HG23 THR 13 2.048 4.249 -0.373
124 H ASN 14 HN ASN 14 2.321 -0.727 1.123
125 HA ASN 14 HA ASN 14 4.472 -0.625 3.086
126 HB2 ASN 14 HB2 ASN 14 2.208 -2.464 2.514
127 HB3 ASN 14 HB1 ASN 14 3.569 -3.069 3.445
128 HD21 ASN 14 HD21 ASN 14 2.441 0.248 3.569
129 HD22 ASN 14 HD22 ASN 14 1.841 0.181 5.190
130 H LYS 15 HN LYS 15 3.778 -1.972 -0.039
131 HA LYS 15 HA LYS 15 5.934 -3.839 -0.132
132 HB2 LYS 15 HB2 LYS 15 4.546 -2.394 -2.398
133 HB3 LYS 15 HB1 LYS 15 5.593 -3.791 -2.563
134 HG2 LYS 15 HG2 LYS 15 2.932 -3.701 -1.172
135 HG3 LYS 15 HG1 LYS 15 3.279 -4.447 -2.734
136 HD2 LYS 15 HD2 LYS 15 4.882 -5.967 -1.571
137 HD3 LYS 15 HD1 LYS 15 4.335 -5.291 -0.036
138 HE2 LYS 15 HE2 LYS 15 3.144 -7.325 -0.398
139 HE3 LYS 15 HE1 LYS 15 2.016 -5.993 -0.647
140 HZ1 LYS 15 HZ1 LYS 15 1.735 -7.623 -2.367
141 HZ2 LYS 15 HZ2 LYS 15 3.377 -7.577 -2.758
142 HZ3 LYS 15 HZ3 LYS 15 2.402 -6.229 -3.056
143 H VAL 16 HN VAL 16 5.839 -0.576 0.046
144 HA VAL 16 HA VAL 16 8.142 -0.008 -1.631
145 HB VAL 16 HB VAL 16 6.834 2.013 0.130
146 HG11 VAL 16 HG11 VAL 16 7.937 2.126 -2.667
147 HG12 VAL 16 HG12 VAL 16 8.751 2.672 -1.201
148 HG13 VAL 16 HG13 VAL 16 7.292 3.492 -1.757
149 HG21 VAL 16 HG21 VAL 16 4.955 0.779 -0.805
150 HG22 VAL 16 HG22 VAL 16 5.630 0.974 -2.428
151 HG23 VAL 16 HG23 VAL 16 5.076 2.389 -1.533
152 HA PRO 17 HA PRO 17 10.813 -0.541 1.948
153 HB2 PRO 17 HB2 PRO 17 12.787 0.830 0.269
154 HB3 PRO 17 HB1 PRO 17 12.860 -0.775 0.997
155 HG2 PRO 17 HG2 PRO 17 12.534 -0.430 -1.652
156 HG3 PRO 17 HG1 PRO 17 11.789 -1.779 -0.776
157 HD2 PRO 17 HD2 PRO 17 10.557 0.759 -1.759
158 HD3 PRO 17 HD1 PRO 17 9.882 -0.883 -1.710
159 H ILE 18 HN ILE 18 11.014 0.792 3.630
160 HA ILE 18 HA ILE 18 10.532 3.614 3.226
161 HB ILE 18 HB ILE 18 11.005 2.155 5.833
162 HG12 ILE 18 HG12 ILE 18 8.407 2.869 4.451
163 HG13 ILE 18 HG11 ILE 18 9.064 1.245 4.617
164 HG21 ILE 18 HG21 ILE 18 11.353 4.573 5.964
165 HG22 ILE 18 HG22 ILE 18 9.898 4.097 6.840
166 HG23 ILE 18 HG23 ILE 18 9.763 4.847 5.250
167 HD11 ILE 18 HD11 ILE 18 8.169 3.032 6.864
168 HD12 ILE 18 HD12 ILE 18 8.841 1.412 7.043
169 HD13 ILE 18 HD13 ILE 18 7.299 1.640 6.221
170 H LYS 19 HN LYS 19 12.474 3.987 2.071
171 HA LYS 19 HA LYS 19 15.010 3.727 3.405
172 HB2 LYS 19 HB2 LYS 19 15.892 4.918 1.397
173 HB3 LYS 19 HB1 LYS 19 14.980 3.466 1.019
174 HG2 LYS 19 HG2 LYS 19 13.030 4.855 0.464
175 HG3 LYS 19 HG1 LYS 19 13.989 6.299 0.796
176 HD2 LYS 19 HD2 LYS 19 15.536 5.704 -0.983
177 HD3 LYS 19 HD1 LYS 19 14.640 4.214 -1.285
178 HE2 LYS 19 HE2 LYS 19 14.001 5.834 -2.932
179 HE3 LYS 19 HE1 LYS 19 12.648 5.593 -1.831
180 HZ1 LYS 19 HZ1 LYS 19 12.937 7.919 -2.285
181 HZ2 LYS 19 HZ2 LYS 19 14.553 7.871 -1.797
182 HZ3 LYS 19 HZ3 LYS 19 13.320 7.625 -0.663
183 H ARG 20 HN ARG 20 12.523 6.076 3.205
184 HA ARG 20 HA ARG 20 14.043 8.371 3.861
185 HB2 ARG 20 HB2 ARG 20 11.914 9.387 4.497
186 HB3 ARG 20 HB1 ARG 20 11.759 8.523 2.975
187 HG2 ARG 20 HG2 ARG 20 10.746 6.629 4.195
188 HG3 ARG 20 HG1 ARG 20 10.835 7.586 5.676
189 HD2 ARG 20 HD2 ARG 20 9.357 8.426 3.189
190 HD3 ARG 20 HD1 ARG 20 8.604 7.636 4.572
191 HE ARG 20 HE ARG 20 9.632 9.680 5.818
192 HH11 ARG 20 HH11 ARG 20 8.138 9.671 2.648
193 HH12 ARG 20 HH12 ARG 20 7.602 11.315 2.757
194 HH21 ARG 20 HH21 ARG 20 8.949 11.834 5.968
195 HH22 ARG 20 HH22 ARG 20 8.060 12.553 4.657
196 HA PRO 21 HA PRO 21 15.070 7.235 8.034
197 HB2 PRO 21 HB2 PRO 21 15.687 10.040 8.532
198 HB3 PRO 21 HB1 PRO 21 16.776 8.653 8.503
199 HG2 PRO 21 HG2 PRO 21 16.778 10.567 6.583
200 HG3 PRO 21 HG1 PRO 21 17.222 8.881 6.270
201 HD2 PRO 21 HD2 PRO 21 14.679 10.319 5.645
202 HD3 PRO 21 HD1 PRO 21 15.546 9.081 4.716
203 H SER 22 HN SER 22 12.677 9.326 7.141
204 HA SER 22 HA SER 22 11.159 8.915 9.501
205 HB2 SER 22 HB2 SER 22 12.734 10.761 10.224
206 HB3 SER 22 HB1 SER 22 11.990 11.783 8.997
207 HG SER 22 HG SER 22 10.107 11.772 10.099
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 -12.714 9.435 0.403
2 H2 LEU 1 HT2 LEU 1 -13.658 8.524 -0.661
3 H3 LEU 1 HT3 LEU 1 -12.182 7.916 -0.110
4 HA LEU 1 HA LEU 1 -13.006 7.784 2.127
5 HB2 LEU 1 HB2 LEU 1 -15.559 8.805 0.887
6 HB3 LEU 1 HB1 LEU 1 -15.445 8.136 2.504
7 HG LEU 1 HG LEU 1 -14.053 10.635 1.534
8 HD11 LEU 1 HD11 LEU 1 -16.387 10.260 3.403
9 HD12 LEU 1 HD12 LEU 1 -16.465 10.909 1.765
10 HD13 LEU 1 HD13 LEU 1 -15.601 11.792 3.023
11 HD21 LEU 1 HD21 LEU 1 -12.735 9.493 3.226
12 HD22 LEU 1 HD22 LEU 1 -14.152 9.362 4.269
13 HD23 LEU 1 HD23 LEU 1 -13.470 10.946 3.900
14 H ARG 2 HN ARG 2 -12.269 5.787 1.065
15 HA ARG 2 HA ARG 2 -14.482 3.901 0.799
16 HB2 ARG 2 HB2 ARG 2 -13.924 4.672 -1.504
17 HB3 ARG 2 HB1 ARG 2 -12.274 4.123 -1.243
18 HG2 ARG 2 HG2 ARG 2 -12.846 2.132 -1.999
19 HG3 ARG 2 HG1 ARG 2 -13.933 1.947 -0.624
20 HD2 ARG 2 HD2 ARG 2 -14.675 3.318 -3.195
21 HD3 ARG 2 HD1 ARG 2 -15.006 1.622 -2.858
22 HE ARG 2 HE ARG 2 -16.125 2.922 -0.758
23 HH11 ARG 2 HH11 ARG 2 -16.417 3.268 -4.232
24 HH12 ARG 2 HH12 ARG 2 -18.066 3.803 -4.164
25 HH21 ARG 2 HH21 ARG 2 -18.281 3.628 -0.666
26 HH22 ARG 2 HH22 ARG 2 -19.128 4.007 -2.134
27 H LEU 3 HN LEU 3 -14.008 2.286 2.159
28 HA LEU 3 HA LEU 3 -11.463 1.995 3.305
29 HB2 LEU 3 HB2 LEU 3 -12.365 -0.267 4.067
30 HB3 LEU 3 HB1 LEU 3 -13.135 1.186 4.677
31 HG LEU 3 HG LEU 3 -14.828 0.775 2.728
32 HD11 LEU 3 HD11 LEU 3 -13.694 -1.989 3.099
33 HD12 LEU 3 HD12 LEU 3 -13.556 -1.007 1.642
34 HD13 LEU 3 HD13 LEU 3 -15.138 -1.571 2.179
35 HD21 LEU 3 HD21 LEU 3 -14.694 -0.915 5.207
36 HD22 LEU 3 HD22 LEU 3 -16.134 -0.708 4.210
37 HD23 LEU 3 HD23 LEU 3 -15.433 0.678 5.047
38 H ILE 4 HN ILE 4 -12.925 0.495 0.533
39 HA ILE 4 HA ILE 4 -11.078 -1.574 0.218
40 HB ILE 4 HB ILE 4 -12.608 -0.023 -1.878
41 HG12 ILE 4 HG12 ILE 4 -13.985 -1.333 -0.327
42 HG13 ILE 4 HG11 ILE 4 -14.033 -2.012 -1.946
43 HG21 ILE 4 HG21 ILE 4 -11.012 -2.556 -2.239
44 HG22 ILE 4 HG22 ILE 4 -10.624 -0.973 -2.911
45 HG23 ILE 4 HG23 ILE 4 -12.071 -1.827 -3.445
46 HD11 ILE 4 HD11 ILE 4 -13.894 -3.772 -0.309
47 HD12 ILE 4 HD12 ILE 4 -12.435 -3.057 0.375
48 HD13 ILE 4 HD13 ILE 4 -12.408 -3.719 -1.259
49 H HIS 5 HN HIS 5 -11.025 1.782 -0.921
50 HA HIS 5 HA HIS 5 -8.474 1.583 -2.163
51 HB2 HIS 5 HB2 HIS 5 -10.210 3.883 -1.329
52 HB3 HIS 5 HB1 HIS 5 -8.557 4.168 -1.851
53 HD1 HIS 5 HD1 HIS 5 -8.464 4.813 -4.212
54 HD2 HIS 5 HD2 HIS 5 -11.568 2.153 -3.481
55 HE1 HIS 5 HE1 HIS 5 -9.604 4.477 -6.421
56 HE2 HIS 5 HE2 HIS 5 -11.570 2.988 -5.925
57 H ALA 6 HN ALA 6 -9.582 2.275 1.077
58 HA ALA 6 HA ALA 6 -7.182 3.354 2.095
59 HB1 ALA 6 HB1 ALA 6 -8.097 2.861 4.294
60 HB2 ALA 6 HB2 ALA 6 -9.317 1.815 3.569
61 HB3 ALA 6 HB3 ALA 6 -9.339 3.549 3.247
62 H VAL 7 HN VAL 7 -8.469 0.019 2.166
63 HA VAL 7 HA VAL 7 -6.138 -1.030 3.407
64 HB VAL 7 HB VAL 7 -8.204 -2.240 3.658
65 HG11 VAL 7 HG11 VAL 7 -9.306 -1.677 1.591
66 HG12 VAL 7 HG12 VAL 7 -9.249 -3.433 1.775
67 HG13 VAL 7 HG13 VAL 7 -8.132 -2.625 0.674
68 HG21 VAL 7 HG21 VAL 7 -6.237 -3.812 2.001
69 HG22 VAL 7 HG22 VAL 7 -7.483 -4.503 3.039
70 HG23 VAL 7 HG23 VAL 7 -6.171 -3.561 3.745
71 H ARG 8 HN ARG 8 -7.158 -0.690 0.034
72 HA ARG 8 HA ARG 8 -5.058 -2.106 -1.150
73 HB2 ARG 8 HB2 ARG 8 -6.972 -0.048 -2.004
74 HB3 ARG 8 HB1 ARG 8 -5.470 -0.076 -2.917
75 HG2 ARG 8 HG2 ARG 8 -7.147 -1.435 -4.002
76 HG3 ARG 8 HG1 ARG 8 -5.824 -2.438 -3.415
77 HD2 ARG 8 HD2 ARG 8 -7.120 -3.198 -1.566
78 HD3 ARG 8 HD1 ARG 8 -8.394 -2.031 -1.907
79 HE ARG 8 HE ARG 8 -8.201 -3.545 -4.177
80 HH11 ARG 8 HH11 ARG 8 -8.755 -4.259 -0.801
81 HH12 ARG 8 HH12 ARG 8 -9.794 -5.607 -1.123
82 HH21 ARG 8 HH21 ARG 8 -9.588 -5.306 -4.609
83 HH22 ARG 8 HH22 ARG 8 -10.278 -6.194 -3.288
84 H GLY 9 HN GLY 9 -5.303 1.397 -0.574
85 HA2 GLY 9 HA2 GLY 9 -2.703 2.086 -1.282
86 HA3 GLY 9 HA1 GLY 9 -3.691 2.973 -0.134
87 H TYR 10 HN TYR 10 -3.912 0.655 1.644
88 HA TYR 10 HA TYR 10 -1.718 1.057 3.319
89 HB2 TYR 10 HB2 TYR 10 -3.670 0.227 4.331
90 HB3 TYR 10 HB1 TYR 10 -3.831 -1.078 3.163
91 HD1 TYR 10 HD1 TYR 10 -1.343 0.103 5.704
92 HD2 TYR 10 HD2 TYR 10 -3.358 -3.195 3.915
93 HE1 TYR 10 HE1 TYR 10 -0.204 -1.426 7.254
94 HE2 TYR 10 HE2 TYR 10 -2.217 -4.732 5.462
95 HH TYR 10 HH TYR 10 -0.519 -3.653 8.208
96 H TRP 11 HN TRP 11 -2.419 -1.874 1.337
97 HA TRP 11 HA TRP 11 0.172 -2.892 1.999
98 HB2 TRP 11 HB2 TRP 11 -0.354 -4.797 0.575
99 HB3 TRP 11 HB1 TRP 11 -1.658 -4.441 1.686
100 HD1 TRP 11 HD1 TRP 11 -3.982 -3.700 0.669
101 HE1 TRP 11 HE1 TRP 11 -4.970 -3.911 -1.693
102 HE3 TRP 11 HE3 TRP 11 0.313 -4.664 -1.922
103 HZ2 TRP 11 HZ2 TRP 11 -4.055 -4.420 -4.309
104 HZ3 TRP 11 HZ3 TRP 11 0.169 -5.010 -4.354
105 HH2 TRP 11 HH2 TRP 11 -1.972 -4.889 -5.522
106 H LEU 12 HN LEU 12 -1.101 -1.004 -0.589
107 HA LEU 12 HA LEU 12 0.924 -1.485 -2.496
108 HB2 LEU 12 HB2 LEU 12 -0.817 0.933 -2.038
109 HB3 LEU 12 HB1 LEU 12 0.206 0.705 -3.440
110 HG LEU 12 HG LEU 12 -2.017 -1.189 -2.695
111 HD11 LEU 12 HD11 LEU 12 -2.044 1.098 -4.671
112 HD12 LEU 12 HD12 LEU 12 -2.888 1.071 -3.124
113 HD13 LEU 12 HD13 LEU 12 -3.346 -0.061 -4.397
114 HD21 LEU 12 HD21 LEU 12 -0.457 -0.766 -5.249
115 HD22 LEU 12 HD22 LEU 12 -1.785 -1.905 -5.029
116 HD23 LEU 12 HD23 LEU 12 -0.280 -2.124 -4.137
117 H THR 13 HN THR 13 0.738 0.640 0.281
118 HA THR 13 HA THR 13 3.248 1.911 -0.464
119 HB THR 13 HB THR 13 2.892 3.258 1.614
120 HG1 THR 13 HG1 THR 13 0.266 2.198 1.698
121 HG21 THR 13 HG21 THR 13 0.981 4.531 0.716
122 HG22 THR 13 HG22 THR 13 0.600 3.184 -0.360
123 HG23 THR 13 HG23 THR 13 2.114 4.070 -0.555
124 H ASN 14 HN ASN 14 2.284 -0.842 1.107
125 HA ASN 14 HA ASN 14 4.483 -0.829 3.047
126 HB2 ASN 14 HB2 ASN 14 1.972 -2.416 2.755
127 HB3 ASN 14 HB1 ASN 14 3.302 -3.051 3.724
128 HD21 ASN 14 HD21 ASN 14 2.399 0.340 3.426
129 HD22 ASN 14 HD22 ASN 14 1.933 0.545 5.076
130 H LYS 15 HN LYS 15 3.013 -3.104 0.725
131 HA LYS 15 HA LYS 15 5.107 -5.004 0.940
132 HB2 LYS 15 HB2 LYS 15 3.164 -4.673 -1.353
133 HB3 LYS 15 HB1 LYS 15 4.051 -6.127 -0.930
134 HG2 LYS 15 HG2 LYS 15 1.912 -4.829 0.738
135 HG3 LYS 15 HG1 LYS 15 1.703 -6.254 -0.280
136 HD2 LYS 15 HD2 LYS 15 3.430 -7.413 1.077
137 HD3 LYS 15 HD1 LYS 15 3.485 -6.007 2.142
138 HE2 LYS 15 HE2 LYS 15 2.062 -7.709 3.104
139 HE3 LYS 15 HE1 LYS 15 1.096 -6.313 2.634
140 HZ1 LYS 15 HZ1 LYS 15 1.353 -8.843 1.102
141 HZ2 LYS 15 HZ2 LYS 15 0.454 -7.499 0.615
142 HZ3 LYS 15 HZ3 LYS 15 0.005 -8.356 2.000
143 H VAL 16 HN VAL 16 4.728 -2.124 -0.805
144 HA VAL 16 HA VAL 16 6.692 -2.852 -2.844
145 HB VAL 16 HB VAL 16 5.124 -0.295 -2.735
146 HG11 VAL 16 HG11 VAL 16 6.915 -0.385 -4.358
147 HG12 VAL 16 HG12 VAL 16 5.354 -0.416 -5.181
148 HG13 VAL 16 HG13 VAL 16 6.287 -1.901 -5.004
149 HG21 VAL 16 HG21 VAL 16 3.507 -2.091 -2.447
150 HG22 VAL 16 HG22 VAL 16 4.169 -2.929 -3.858
151 HG23 VAL 16 HG23 VAL 16 3.361 -1.374 -4.059
152 HA PRO 17 HA PRO 17 9.699 -0.515 -0.449
153 HB2 PRO 17 HB2 PRO 17 11.373 -0.777 -2.834
154 HB3 PRO 17 HB1 PRO 17 11.657 -1.376 -1.200
155 HG2 PRO 17 HG2 PRO 17 11.075 -3.028 -3.252
156 HG3 PRO 17 HG1 PRO 17 10.568 -3.361 -1.587
157 HD2 PRO 17 HD2 PRO 17 8.973 -2.292 -3.878
158 HD3 PRO 17 HD1 PRO 17 8.499 -3.437 -2.605
159 H ILE 18 HN ILE 18 9.754 1.625 -0.310
160 HA ILE 18 HA ILE 18 9.033 3.185 -2.671
161 HB ILE 18 HB ILE 18 8.981 4.013 0.237
162 HG12 ILE 18 HG12 ILE 18 6.704 3.227 -1.602
163 HG13 ILE 18 HG11 ILE 18 7.349 2.225 -0.305
164 HG21 ILE 18 HG21 ILE 18 7.867 5.372 -2.215
165 HG22 ILE 18 HG22 ILE 18 9.274 5.895 -1.289
166 HG23 ILE 18 HG23 ILE 18 7.672 5.923 -0.552
167 HD11 ILE 18 HD11 ILE 18 6.026 4.904 0.043
168 HD12 ILE 18 HD12 ILE 18 6.644 3.873 1.334
169 HD13 ILE 18 HD13 ILE 18 5.284 3.334 0.348
170 H LYS 19 HN LYS 19 11.070 3.225 -3.604
171 HA LYS 19 HA LYS 19 13.184 4.693 -2.232
172 HB2 LYS 19 HB2 LYS 19 13.067 3.485 -5.004
173 HB3 LYS 19 HB1 LYS 19 14.469 4.306 -4.330
174 HG2 LYS 19 HG2 LYS 19 14.615 2.613 -2.575
175 HG3 LYS 19 HG1 LYS 19 13.210 1.790 -3.255
176 HD2 LYS 19 HD2 LYS 19 14.414 1.389 -5.324
177 HD3 LYS 19 HD1 LYS 19 15.809 2.276 -4.709
178 HE2 LYS 19 HE2 LYS 19 16.136 -0.136 -4.531
179 HE3 LYS 19 HE1 LYS 19 16.095 0.627 -2.942
180 HZ1 LYS 19 HZ1 LYS 19 14.814 -1.447 -3.059
181 HZ2 LYS 19 HZ2 LYS 19 13.792 -0.748 -4.208
182 HZ3 LYS 19 HZ3 LYS 19 13.855 -0.121 -2.638
183 H ARG 20 HN ARG 20 10.591 5.165 -4.386
184 HA ARG 20 HA ARG 20 11.428 7.423 -5.818
185 HB2 ARG 20 HB2 ARG 20 9.015 7.823 -6.169
186 HB3 ARG 20 HB1 ARG 20 9.463 6.148 -6.461
187 HG2 ARG 20 HG2 ARG 20 8.608 5.535 -4.252
188 HG3 ARG 20 HG1 ARG 20 8.148 7.215 -3.970
189 HD2 ARG 20 HD2 ARG 20 6.226 5.909 -4.679
190 HD3 ARG 20 HD1 ARG 20 6.638 7.117 -5.892
191 HE ARG 20 HE ARG 20 7.351 4.263 -6.122
192 HH11 ARG 20 HH11 ARG 20 6.309 7.291 -7.552
193 HH12 ARG 20 HH12 ARG 20 6.192 6.631 -9.150
194 HH21 ARG 20 HH21 ARG 20 7.190 3.408 -8.224
195 HH22 ARG 20 HH22 ARG 20 6.680 4.431 -9.530
196 HA PRO 21 HA PRO 21 11.313 10.711 -2.789
197 HB2 PRO 21 HB2 PRO 21 10.341 12.425 -4.985
198 HB3 PRO 21 HB1 PRO 21 11.799 12.581 -4.001
199 HG2 PRO 21 HG2 PRO 21 11.916 11.817 -6.568
200 HG3 PRO 21 HG1 PRO 21 13.020 11.158 -5.347
201 HD2 PRO 21 HD2 PRO 21 10.588 9.920 -6.568
202 HD3 PRO 21 HD1 PRO 21 12.148 9.180 -6.154
203 H SER 22 HN SER 22 9.453 9.732 -1.748
204 HA SER 22 HA SER 22 7.000 11.271 -2.248
205 HB2 SER 22 HB2 SER 22 7.147 8.326 -1.548
206 HB3 SER 22 HB1 SER 22 5.666 9.271 -1.698
207 HG SER 22 HG SER 22 6.182 9.609 -3.893
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 -9.135 6.567 0.609
2 H2 LEU 1 HT2 LEU 1 -8.475 5.930 2.025
3 H3 LEU 1 HT3 LEU 1 -8.079 7.497 1.546
4 HA LEU 1 HA LEU 1 -9.638 7.566 3.348
5 HB2 LEU 1 HB2 LEU 1 -10.922 8.318 0.716
6 HB3 LEU 1 HB1 LEU 1 -11.428 8.896 2.288
7 HG LEU 1 HG LEU 1 -8.974 9.798 2.440
8 HD11 LEU 1 HD11 LEU 1 -8.161 8.734 0.402
9 HD12 LEU 1 HD12 LEU 1 -8.068 10.490 0.288
10 HD13 LEU 1 HD13 LEU 1 -9.357 9.620 -0.544
11 HD21 LEU 1 HD21 LEU 1 -10.967 11.179 2.453
12 HD22 LEU 1 HD22 LEU 1 -11.072 11.069 0.697
13 HD23 LEU 1 HD23 LEU 1 -9.712 11.904 1.448
14 H ARG 2 HN ARG 2 -11.475 6.369 0.524
15 HA ARG 2 HA ARG 2 -13.491 5.115 2.062
16 HB2 ARG 2 HB2 ARG 2 -13.398 5.752 -0.484
17 HB3 ARG 2 HB1 ARG 2 -12.717 4.142 -0.659
18 HG2 ARG 2 HG2 ARG 2 -15.028 3.954 -1.084
19 HG3 ARG 2 HG1 ARG 2 -14.739 3.259 0.511
20 HD2 ARG 2 HD2 ARG 2 -15.502 5.332 1.555
21 HD3 ARG 2 HD1 ARG 2 -15.785 6.033 -0.039
22 HE ARG 2 HE ARG 2 -17.290 3.829 -0.153
23 HH11 ARG 2 HH11 ARG 2 -17.012 6.274 2.339
24 HH12 ARG 2 HH12 ARG 2 -18.653 6.088 2.873
25 HH21 ARG 2 HH21 ARG 2 -19.446 3.592 0.550
26 HH22 ARG 2 HH22 ARG 2 -20.034 4.573 1.857
27 H LEU 3 HN LEU 3 -13.838 2.764 2.299
28 HA LEU 3 HA LEU 3 -11.712 1.672 3.662
29 HB2 LEU 3 HB2 LEU 3 -14.347 1.060 3.379
30 HB3 LEU 3 HB1 LEU 3 -13.531 -0.298 2.645
31 HG LEU 3 HG LEU 3 -13.060 0.665 5.458
32 HD11 LEU 3 HD11 LEU 3 -15.270 -0.328 5.176
33 HD12 LEU 3 HD12 LEU 3 -14.216 -1.361 6.141
34 HD13 LEU 3 HD13 LEU 3 -14.537 -1.760 4.454
35 HD21 LEU 3 HD21 LEU 3 -11.083 -0.370 4.464
36 HD22 LEU 3 HD22 LEU 3 -12.041 -1.782 4.020
37 HD23 LEU 3 HD23 LEU 3 -11.779 -1.393 5.720
38 H ILE 4 HN ILE 4 -13.008 0.380 0.627
39 HA ILE 4 HA ILE 4 -11.035 -1.553 0.270
40 HB ILE 4 HB ILE 4 -12.665 -0.128 -1.828
41 HG12 ILE 4 HG12 ILE 4 -14.012 -1.345 -0.195
42 HG13 ILE 4 HG11 ILE 4 -14.040 -2.171 -1.743
43 HG21 ILE 4 HG21 ILE 4 -10.682 -1.131 -2.839
44 HG22 ILE 4 HG22 ILE 4 -12.142 -2.001 -3.307
45 HG23 ILE 4 HG23 ILE 4 -11.068 -2.676 -2.081
46 HD11 ILE 4 HD11 ILE 4 -13.855 -3.778 0.024
47 HD12 ILE 4 HD12 ILE 4 -12.437 -2.954 0.673
48 HD13 ILE 4 HD13 ILE 4 -12.351 -3.751 -0.897
49 H HIS 5 HN HIS 5 -11.112 1.823 -0.688
50 HA HIS 5 HA HIS 5 -8.674 1.695 -2.186
51 HB2 HIS 5 HB2 HIS 5 -10.263 4.030 -1.120
52 HB3 HIS 5 HB1 HIS 5 -8.808 4.210 -2.090
53 HD1 HIS 5 HD1 HIS 5 -9.246 4.507 -4.486
54 HD2 HIS 5 HD2 HIS 5 -12.295 2.390 -2.622
55 HE1 HIS 5 HE1 HIS 5 -10.988 4.134 -6.253
56 HE2 HIS 5 HE2 HIS 5 -12.879 2.959 -5.078
57 H ALA 6 HN ALA 6 -9.511 2.053 1.138
58 HA ALA 6 HA ALA 6 -7.056 3.346 1.915
59 HB1 ALA 6 HB1 ALA 6 -7.825 3.012 4.199
60 HB2 ALA 6 HB2 ALA 6 -9.118 1.960 3.625
61 HB3 ALA 6 HB3 ALA 6 -9.121 3.671 3.199
62 H VAL 7 HN VAL 7 -8.408 0.080 2.133
63 HA VAL 7 HA VAL 7 -6.087 -1.029 3.326
64 HB VAL 7 HB VAL 7 -8.187 -2.166 3.617
65 HG11 VAL 7 HG11 VAL 7 -8.187 -2.594 0.636
66 HG12 VAL 7 HG12 VAL 7 -9.290 -1.562 1.551
67 HG13 VAL 7 HG13 VAL 7 -9.326 -3.313 1.776
68 HG21 VAL 7 HG21 VAL 7 -7.549 -4.453 3.012
69 HG22 VAL 7 HG22 VAL 7 -6.185 -3.546 3.667
70 HG23 VAL 7 HG23 VAL 7 -6.310 -3.817 1.927
71 H ARG 8 HN ARG 8 -7.164 -0.660 -0.030
72 HA ARG 8 HA ARG 8 -5.099 -2.096 -1.249
73 HB2 ARG 8 HB2 ARG 8 -6.998 -0.007 -2.076
74 HB3 ARG 8 HB1 ARG 8 -5.507 -0.056 -3.006
75 HG2 ARG 8 HG2 ARG 8 -7.232 -1.398 -4.059
76 HG3 ARG 8 HG1 ARG 8 -5.890 -2.402 -3.516
77 HD2 ARG 8 HD2 ARG 8 -7.148 -3.086 -1.565
78 HD3 ARG 8 HD1 ARG 8 -8.478 -2.024 -2.023
79 HE ARG 8 HE ARG 8 -7.993 -3.758 -4.154
80 HH11 ARG 8 HH11 ARG 8 -9.115 -3.922 -0.846
81 HH12 ARG 8 HH12 ARG 8 -10.151 -5.284 -1.124
82 HH21 ARG 8 HH21 ARG 8 -9.354 -5.551 -4.533
83 HH22 ARG 8 HH22 ARG 8 -10.279 -6.214 -3.224
84 H GLY 9 HN GLY 9 -5.290 1.400 -0.600
85 HA2 GLY 9 HA2 GLY 9 -2.679 2.053 -1.320
86 HA3 GLY 9 HA1 GLY 9 -3.647 2.939 -0.151
87 H TYR 10 HN TYR 10 -3.928 0.663 1.631
88 HA TYR 10 HA TYR 10 -1.770 0.990 3.331
89 HB2 TYR 10 HB2 TYR 10 -3.707 0.112 4.301
90 HB3 TYR 10 HB1 TYR 10 -3.871 -1.138 3.077
91 HD1 TYR 10 HD1 TYR 10 -1.439 -0.104 5.738
92 HD2 TYR 10 HD2 TYR 10 -3.381 -3.290 3.692
93 HE1 TYR 10 HE1 TYR 10 -0.350 -1.721 7.237
94 HE2 TYR 10 HE2 TYR 10 -2.294 -4.914 5.183
95 HH TYR 10 HH TYR 10 -0.272 -5.044 6.605
96 H TRP 11 HN TRP 11 -2.375 -2.005 1.405
97 HA TRP 11 HA TRP 11 0.234 -2.932 2.067
98 HB2 TRP 11 HB2 TRP 11 -0.205 -4.817 0.565
99 HB3 TRP 11 HB1 TRP 11 -1.529 -4.537 1.678
100 HD1 TRP 11 HD1 TRP 11 -3.837 -3.625 0.645
101 HE1 TRP 11 HE1 TRP 11 -4.810 -3.844 -1.721
102 HE3 TRP 11 HE3 TRP 11 0.435 -4.847 -1.868
103 HZ2 TRP 11 HZ2 TRP 11 -3.885 -4.457 -4.322
104 HZ3 TRP 11 HZ3 TRP 11 0.307 -5.247 -4.294
105 HH2 TRP 11 HH2 TRP 11 -1.810 -5.054 -5.493
106 H LEU 12 HN LEU 12 -1.089 -1.187 -0.643
107 HA LEU 12 HA LEU 12 1.025 -1.529 -2.447
108 HB2 LEU 12 HB2 LEU 12 -0.916 0.738 -2.066
109 HB3 LEU 12 HB1 LEU 12 0.216 0.651 -3.402
110 HG LEU 12 HG LEU 12 -1.865 -1.460 -2.833
111 HD11 LEU 12 HD11 LEU 12 -1.929 0.821 -4.818
112 HD12 LEU 12 HD12 LEU 12 -2.944 0.666 -3.385
113 HD13 LEU 12 HD13 LEU 12 -3.108 -0.484 -4.709
114 HD21 LEU 12 HD21 LEU 12 -1.367 -2.152 -5.136
115 HD22 LEU 12 HD22 LEU 12 0.054 -2.260 -4.097
116 HD23 LEU 12 HD23 LEU 12 -0.109 -0.918 -5.230
117 H THR 13 HN THR 13 0.717 0.567 0.341
118 HA THR 13 HA THR 13 3.152 2.011 -0.352
119 HB THR 13 HB THR 13 2.769 3.169 1.858
120 HG1 THR 13 HG1 THR 13 0.220 1.886 1.745
121 HG21 THR 13 HG21 THR 13 0.881 4.498 1.047
122 HG22 THR 13 HG22 THR 13 0.514 3.248 -0.141
123 HG23 THR 13 HG23 THR 13 2.027 4.150 -0.249
124 H ASN 14 HN ASN 14 2.387 -0.865 1.105
125 HA ASN 14 HA ASN 14 4.566 -0.768 3.062
126 HB2 ASN 14 HB2 ASN 14 2.089 -2.346 2.744
127 HB3 ASN 14 HB1 ASN 14 3.443 -3.143 3.540
128 HD21 ASN 14 HD21 ASN 14 1.178 -0.495 3.696
129 HD22 ASN 14 HD22 ASN 14 1.426 -0.124 5.369
130 H LYS 15 HN LYS 15 3.688 -2.197 0.035
131 HA LYS 15 HA LYS 15 5.677 -4.256 0.033
132 HB2 LYS 15 HB2 LYS 15 4.337 -2.854 -2.286
133 HB3 LYS 15 HB1 LYS 15 5.267 -4.338 -2.385
134 HG2 LYS 15 HG2 LYS 15 2.692 -3.958 -0.888
135 HG3 LYS 15 HG1 LYS 15 2.890 -4.801 -2.427
136 HD2 LYS 15 HD2 LYS 15 4.345 -6.444 -1.343
137 HD3 LYS 15 HD1 LYS 15 4.157 -5.601 0.194
138 HE2 LYS 15 HE2 LYS 15 1.754 -6.052 0.141
139 HE3 LYS 15 HE1 LYS 15 1.949 -6.903 -1.390
140 HZ1 LYS 15 HZ1 LYS 15 1.851 -8.427 0.494
141 HZ2 LYS 15 HZ2 LYS 15 3.208 -7.692 1.183
142 HZ3 LYS 15 HZ3 LYS 15 3.348 -8.518 -0.286
143 H VAL 16 HN VAL 16 5.834 -1.004 0.013
144 HA VAL 16 HA VAL 16 8.058 -0.646 -1.798
145 HB VAL 16 HB VAL 16 7.034 1.453 0.076
146 HG11 VAL 16 HG11 VAL 16 8.942 2.004 -1.306
147 HG12 VAL 16 HG12 VAL 16 7.533 2.933 -1.821
148 HG13 VAL 16 HG13 VAL 16 8.057 1.535 -2.758
149 HG21 VAL 16 HG21 VAL 16 5.647 0.592 -2.462
150 HG22 VAL 16 HG22 VAL 16 5.245 2.013 -1.497
151 HG23 VAL 16 HG23 VAL 16 5.025 0.393 -0.817
152 HA PRO 17 HA PRO 17 10.852 -1.483 1.645
153 HB2 PRO 17 HB2 PRO 17 13.130 -0.980 0.212
154 HB3 PRO 17 HB1 PRO 17 12.293 -2.536 0.218
155 HG2 PRO 17 HG2 PRO 17 12.227 -0.351 -1.808
156 HG3 PRO 17 HG1 PRO 17 12.202 -2.106 -2.047
157 HD2 PRO 17 HD2 PRO 17 9.984 -0.554 -2.236
158 HD3 PRO 17 HD1 PRO 17 9.931 -2.245 -1.700
159 H ILE 18 HN ILE 18 12.025 -0.181 3.031
160 HA ILE 18 HA ILE 18 11.561 2.645 2.661
161 HB ILE 18 HB ILE 18 12.923 1.301 5.000
162 HG12 ILE 18 HG12 ILE 18 9.997 2.000 4.633
163 HG13 ILE 18 HG11 ILE 18 10.661 0.371 4.586
164 HG21 ILE 18 HG21 ILE 18 11.538 3.973 4.741
165 HG22 ILE 18 HG22 ILE 18 13.280 3.721 4.840
166 HG23 ILE 18 HG23 ILE 18 12.251 3.323 6.216
167 HD11 ILE 18 HD11 ILE 18 10.663 2.222 6.952
168 HD12 ILE 18 HD12 ILE 18 11.363 0.604 6.915
169 HD13 ILE 18 HD13 ILE 18 9.623 0.817 6.718
170 H LYS 19 HN LYS 19 12.983 2.770 0.817
171 HA LYS 19 HA LYS 19 15.835 2.689 1.326
172 HB2 LYS 19 HB2 LYS 19 15.051 1.866 -0.805
173 HB3 LYS 19 HB1 LYS 19 14.180 3.358 -1.114
174 HG2 LYS 19 HG2 LYS 19 16.283 4.564 -1.263
175 HG3 LYS 19 HG1 LYS 19 17.171 3.072 -0.945
176 HD2 LYS 19 HD2 LYS 19 15.332 3.548 -3.295
177 HD3 LYS 19 HD1 LYS 19 17.093 3.621 -3.349
178 HE2 LYS 19 HE2 LYS 19 17.222 1.275 -2.700
179 HE3 LYS 19 HE1 LYS 19 15.467 1.194 -2.594
180 HZ1 LYS 19 HZ1 LYS 19 15.344 1.675 -4.960
181 HZ2 LYS 19 HZ2 LYS 19 16.252 0.281 -4.671
182 HZ3 LYS 19 HZ3 LYS 19 17.031 1.732 -5.057
183 H ARG 20 HN ARG 20 13.245 4.988 0.821
184 HA ARG 20 HA ARG 20 15.069 7.236 1.283
185 HB2 ARG 20 HB2 ARG 20 12.124 7.347 0.623
186 HB3 ARG 20 HB1 ARG 20 13.285 8.661 0.536
187 HG2 ARG 20 HG2 ARG 20 14.360 7.675 -1.355
188 HG3 ARG 20 HG1 ARG 20 13.388 6.210 -1.203
189 HD2 ARG 20 HD2 ARG 20 12.390 8.976 -1.873
190 HD3 ARG 20 HD1 ARG 20 12.493 7.599 -2.970
191 HE ARG 20 HE ARG 20 10.922 6.732 -0.897
192 HH11 ARG 20 HH11 ARG 20 10.769 9.381 -3.182
193 HH12 ARG 20 HH12 ARG 20 9.038 9.441 -3.184
194 HH21 ARG 20 HH21 ARG 20 8.641 6.826 -0.886
195 HH22 ARG 20 HH22 ARG 20 7.829 8.009 -1.860
196 HA PRO 21 HA PRO 21 13.422 7.598 5.452
197 HB2 PRO 21 HB2 PRO 21 14.092 10.428 5.445
198 HB3 PRO 21 HB1 PRO 21 14.842 9.116 6.356
199 HG2 PRO 21 HG2 PRO 21 16.096 10.428 4.331
200 HG3 PRO 21 HG1 PRO 21 16.437 8.741 4.755
201 HD2 PRO 21 HD2 PRO 21 14.749 9.838 2.541
202 HD3 PRO 21 HD1 PRO 21 15.873 8.463 2.528
203 H SER 22 HN SER 22 11.265 7.354 4.453
204 HA SER 22 HA SER 22 9.809 9.884 4.150
205 HB2 SER 22 HB2 SER 22 8.917 7.088 3.395
206 HB3 SER 22 HB1 SER 22 8.117 8.603 2.970
207 HG SER 22 HG SER 22 10.345 9.064 1.991
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 -12.741 7.547 4.961
2 H2 LEU 1 HT2 LEU 1 -11.634 8.629 4.281
3 H3 LEU 1 HT3 LEU 1 -11.219 7.006 4.474
4 HA LEU 1 HA LEU 1 -13.355 8.018 2.706
5 HB2 LEU 1 HB2 LEU 1 -10.594 6.972 2.095
6 HB3 LEU 1 HB1 LEU 1 -11.837 7.228 0.888
7 HG LEU 1 HG LEU 1 -10.627 9.393 2.610
8 HD11 LEU 1 HD11 LEU 1 -10.182 8.699 -0.286
9 HD12 LEU 1 HD12 LEU 1 -9.018 8.505 1.023
10 HD13 LEU 1 HD13 LEU 1 -9.542 10.118 0.540
11 HD21 LEU 1 HD21 LEU 1 -12.917 9.896 1.965
12 HD22 LEU 1 HD22 LEU 1 -12.541 9.529 0.284
13 HD23 LEU 1 HD23 LEU 1 -11.787 10.914 1.072
14 H ARG 2 HN ARG 2 -13.234 6.012 0.861
15 HA ARG 2 HA ARG 2 -14.600 3.884 2.116
16 HB2 ARG 2 HB2 ARG 2 -14.791 4.611 -0.303
17 HB3 ARG 2 HB1 ARG 2 -13.274 3.759 -0.573
18 HG2 ARG 2 HG2 ARG 2 -14.220 1.678 -0.032
19 HG3 ARG 2 HG1 ARG 2 -15.673 2.428 0.628
20 HD2 ARG 2 HD2 ARG 2 -16.200 3.290 -1.621
21 HD3 ARG 2 HD1 ARG 2 -14.811 2.408 -2.256
22 HE ARG 2 HE ARG 2 -16.484 0.649 -0.831
23 HH11 ARG 2 HH11 ARG 2 -16.381 2.446 -3.823
24 HH12 ARG 2 HH12 ARG 2 -17.414 1.340 -4.672
25 HH21 ARG 2 HH21 ARG 2 -17.837 -0.821 -1.942
26 HH22 ARG 2 HH22 ARG 2 -18.240 -0.524 -3.601
27 H LEU 3 HN LEU 3 -13.918 1.984 2.888
28 HA LEU 3 HA LEU 3 -11.232 1.705 3.598
29 HB2 LEU 3 HB2 LEU 3 -11.954 -0.669 4.215
30 HB3 LEU 3 HB1 LEU 3 -12.664 0.680 5.085
31 HG LEU 3 HG LEU 3 -14.586 0.424 3.321
32 HD11 LEU 3 HD11 LEU 3 -14.927 -1.869 2.596
33 HD12 LEU 3 HD12 LEU 3 -13.377 -2.336 3.293
34 HD13 LEU 3 HD13 LEU 3 -13.430 -1.221 1.928
35 HD21 LEU 3 HD21 LEU 3 -14.862 0.109 5.688
36 HD22 LEU 3 HD22 LEU 3 -14.117 -1.486 5.591
37 HD23 LEU 3 HD23 LEU 3 -15.678 -1.192 4.820
38 H ILE 4 HN ILE 4 -12.972 0.499 0.855
39 HA ILE 4 HA ILE 4 -11.165 -1.493 0.116
40 HB ILE 4 HB ILE 4 -12.876 0.248 -1.670
41 HG12 ILE 4 HG12 ILE 4 -14.156 -1.101 -0.075
42 HG13 ILE 4 HG11 ILE 4 -14.373 -1.699 -1.714
43 HG21 ILE 4 HG21 ILE 4 -12.573 -1.518 -3.366
44 HG22 ILE 4 HG22 ILE 4 -11.390 -2.296 -2.317
45 HG23 ILE 4 HG23 ILE 4 -11.067 -0.691 -2.972
46 HD11 ILE 4 HD11 ILE 4 -12.584 -2.899 0.386
47 HD12 ILE 4 HD12 ILE 4 -12.765 -3.489 -1.266
48 HD13 ILE 4 HD13 ILE 4 -14.137 -3.535 -0.158
49 H HIS 5 HN HIS 5 -11.204 1.978 -0.604
50 HA HIS 5 HA HIS 5 -8.782 1.906 -2.123
51 HB2 HIS 5 HB2 HIS 5 -10.421 4.117 -0.917
52 HB3 HIS 5 HB1 HIS 5 -8.830 4.450 -1.585
53 HD1 HIS 5 HD1 HIS 5 -8.804 5.009 -3.983
54 HD2 HIS 5 HD2 HIS 5 -12.189 2.845 -2.932
55 HE1 HIS 5 HE1 HIS 5 -10.210 4.908 -6.050
56 HE2 HIS 5 HE2 HIS 5 -12.344 3.790 -5.330
57 H ALA 6 HN ALA 6 -9.625 2.260 1.233
58 HA ALA 6 HA ALA 6 -7.171 3.298 2.165
59 HB1 ALA 6 HB1 ALA 6 -9.304 3.330 3.434
60 HB2 ALA 6 HB2 ALA 6 -7.941 2.706 4.363
61 HB3 ALA 6 HB3 ALA 6 -9.134 1.594 3.691
62 H VAL 7 HN VAL 7 -8.425 -0.039 2.003
63 HA VAL 7 HA VAL 7 -6.080 -1.170 3.121
64 HB VAL 7 HB VAL 7 -8.143 -2.399 3.269
65 HG11 VAL 7 HG11 VAL 7 -9.233 -1.676 1.240
66 HG12 VAL 7 HG12 VAL 7 -9.187 -3.440 1.308
67 HG13 VAL 7 HG13 VAL 7 -8.062 -2.568 0.265
68 HG21 VAL 7 HG21 VAL 7 -6.114 -3.710 3.274
69 HG22 VAL 7 HG22 VAL 7 -6.141 -3.807 1.515
70 HG23 VAL 7 HG23 VAL 7 -7.400 -4.600 2.461
71 H ARG 8 HN ARG 8 -7.133 -0.622 -0.221
72 HA ARG 8 HA ARG 8 -5.094 -1.994 -1.528
73 HB2 ARG 8 HB2 ARG 8 -6.946 0.184 -2.217
74 HB3 ARG 8 HB1 ARG 8 -5.466 0.154 -3.160
75 HG2 ARG 8 HG2 ARG 8 -7.217 -1.068 -4.290
76 HG3 ARG 8 HG1 ARG 8 -5.925 -2.158 -3.797
77 HD2 ARG 8 HD2 ARG 8 -7.216 -2.977 -1.967
78 HD3 ARG 8 HD1 ARG 8 -8.451 -1.746 -2.219
79 HE ARG 8 HE ARG 8 -8.439 -3.058 -4.571
80 HH11 ARG 8 HH11 ARG 8 -8.621 -4.194 -1.265
81 HH12 ARG 8 HH12 ARG 8 -9.635 -5.545 -1.652
82 HH21 ARG 8 HH21 ARG 8 -9.780 -4.832 -5.075
83 HH22 ARG 8 HH22 ARG 8 -10.285 -5.910 -3.817
84 H GLY 9 HN GLY 9 -5.202 1.499 -0.848
85 HA2 GLY 9 HA2 GLY 9 -2.562 2.056 -1.547
86 HA3 GLY 9 HA1 GLY 9 -3.524 3.004 -0.423
87 H TYR 10 HN TYR 10 -3.913 0.840 1.436
88 HA TYR 10 HA TYR 10 -1.782 1.157 3.165
89 HB2 TYR 10 HB2 TYR 10 -3.802 0.401 4.096
90 HB3 TYR 10 HB1 TYR 10 -3.936 -0.928 2.953
91 HD1 TYR 10 HD1 TYR 10 -3.420 -3.052 3.672
92 HD2 TYR 10 HD2 TYR 10 -1.696 0.269 5.697
93 HE1 TYR 10 HE1 TYR 10 -2.400 -4.583 5.301
94 HE2 TYR 10 HE2 TYR 10 -0.673 -1.255 7.336
95 HH TYR 10 HH TYR 10 -1.033 -3.523 8.221
96 H TRP 11 HN TRP 11 -2.469 -1.897 1.367
97 HA TRP 11 HA TRP 11 0.061 -2.922 2.170
98 HB2 TRP 11 HB2 TRP 11 -0.419 -4.873 0.825
99 HB3 TRP 11 HB1 TRP 11 -1.842 -4.409 1.735
100 HD1 TRP 11 HD1 TRP 11 -3.957 -3.534 0.356
101 HE1 TRP 11 HE1 TRP 11 -4.639 -3.870 -2.100
102 HE3 TRP 11 HE3 TRP 11 0.540 -5.036 -1.530
103 HZ2 TRP 11 HZ2 TRP 11 -3.429 -4.672 -4.523
104 HZ3 TRP 11 HZ3 TRP 11 0.697 -5.576 -3.925
105 HH2 TRP 11 HH2 TRP 11 -1.249 -5.396 -5.392
106 H LEU 12 HN LEU 12 -1.080 -1.304 -0.700
107 HA LEU 12 HA LEU 12 1.049 -1.810 -2.416
108 HB2 LEU 12 HB2 LEU 12 -0.758 0.583 -2.142
109 HB3 LEU 12 HB1 LEU 12 0.403 0.410 -3.441
110 HG LEU 12 HG LEU 12 -1.799 -1.582 -2.906
111 HD11 LEU 12 HD11 LEU 12 -2.788 0.569 -3.476
112 HD12 LEU 12 HD12 LEU 12 -2.945 -0.554 -4.827
113 HD13 LEU 12 HD13 LEU 12 -1.718 0.714 -4.872
114 HD21 LEU 12 HD21 LEU 12 0.024 -1.136 -5.271
115 HD22 LEU 12 HD22 LEU 12 -1.297 -2.301 -5.203
116 HD23 LEU 12 HD23 LEU 12 0.095 -2.484 -4.136
117 H THR 13 HN THR 13 0.788 0.554 0.194
118 HA THR 13 HA THR 13 3.352 1.728 -0.541
119 HB THR 13 HB THR 13 2.940 3.203 1.457
120 HG1 THR 13 HG1 THR 13 0.276 2.233 1.419
121 HG21 THR 13 HG21 THR 13 2.343 3.918 -0.799
122 HG22 THR 13 HG22 THR 13 1.162 4.499 0.374
123 HG23 THR 13 HG23 THR 13 0.780 3.115 -0.650
124 H ASN 14 HN ASN 14 2.240 -0.797 1.403
125 HA ASN 14 HA ASN 14 4.326 -0.471 3.418
126 HB2 ASN 14 HB2 ASN 14 1.799 -1.978 3.216
127 HB3 ASN 14 HB1 ASN 14 3.057 -2.673 4.236
128 HD21 ASN 14 HD21 ASN 14 0.942 0.062 3.749
129 HD22 ASN 14 HD22 ASN 14 1.094 0.714 5.348
130 H LYS 15 HN LYS 15 3.604 -2.421 0.642
131 HA LYS 15 HA LYS 15 5.480 -4.505 1.212
132 HB2 LYS 15 HB2 LYS 15 4.412 -3.536 -1.447
133 HB3 LYS 15 HB1 LYS 15 5.276 -5.040 -1.179
134 HG2 LYS 15 HG2 LYS 15 2.606 -4.303 -0.019
135 HG3 LYS 15 HG1 LYS 15 2.884 -5.414 -1.361
136 HD2 LYS 15 HD2 LYS 15 4.188 -6.868 0.142
137 HD3 LYS 15 HD1 LYS 15 3.841 -5.770 1.478
138 HE2 LYS 15 HE2 LYS 15 1.446 -6.185 1.190
139 HE3 LYS 15 HE1 LYS 15 1.800 -7.287 -0.138
140 HZ1 LYS 15 HZ1 LYS 15 3.013 -8.697 1.414
141 HZ2 LYS 15 HZ2 LYS 15 1.409 -8.494 1.905
142 HZ3 LYS 15 HZ3 LYS 15 2.644 -7.645 2.686
143 H VAL 16 HN VAL 16 5.780 -1.313 0.542
144 HA VAL 16 HA VAL 16 8.225 -1.426 -1.020
145 HB VAL 16 HB VAL 16 7.125 1.091 0.145
146 HG11 VAL 16 HG11 VAL 16 7.831 2.022 -2.003
147 HG12 VAL 16 HG12 VAL 16 8.317 0.413 -2.538
148 HG13 VAL 16 HG13 VAL 16 9.153 1.183 -1.190
149 HG21 VAL 16 HG21 VAL 16 5.876 -0.360 -2.186
150 HG22 VAL 16 HG22 VAL 16 5.475 1.271 -1.654
151 HG23 VAL 16 HG23 VAL 16 5.132 -0.108 -0.601
152 HA PRO 17 HA PRO 17 10.551 -1.103 2.825
153 HB2 PRO 17 HB2 PRO 17 12.993 -1.462 1.778
154 HB3 PRO 17 HB1 PRO 17 11.857 -2.805 1.966
155 HG2 PRO 17 HG2 PRO 17 12.564 -1.248 -0.483
156 HG3 PRO 17 HG1 PRO 17 12.250 -2.982 -0.308
157 HD2 PRO 17 HD2 PRO 17 10.420 -1.137 -1.247
158 HD3 PRO 17 HD1 PRO 17 9.999 -2.711 -0.546
159 H ILE 18 HN ILE 18 12.000 0.381 3.738
160 HA ILE 18 HA ILE 18 12.701 2.466 4.214
161 HB ILE 18 HB ILE 18 13.682 2.244 1.387
162 HG12 ILE 18 HG12 ILE 18 15.022 1.694 4.036
163 HG13 ILE 18 HG11 ILE 18 14.490 0.481 2.877
164 HG21 ILE 18 HG21 ILE 18 13.667 4.584 2.093
165 HG22 ILE 18 HG22 ILE 18 15.319 3.977 1.987
166 HG23 ILE 18 HG23 ILE 18 14.543 4.153 3.561
167 HD11 ILE 18 HD11 ILE 18 16.892 0.832 2.772
168 HD12 ILE 18 HD12 ILE 18 16.635 2.538 2.410
169 HD13 ILE 18 HD13 ILE 18 16.113 1.305 1.263
170 H LYS 19 HN LYS 19 10.777 3.548 4.545
171 HA LYS 19 HA LYS 19 9.530 4.872 2.261
172 HB2 LYS 19 HB2 LYS 19 8.654 4.896 5.152
173 HB3 LYS 19 HB1 LYS 19 7.723 5.449 3.770
174 HG2 LYS 19 HG2 LYS 19 8.538 2.614 4.362
175 HG3 LYS 19 HG1 LYS 19 6.926 3.301 4.526
176 HD2 LYS 19 HD2 LYS 19 8.422 3.149 1.914
177 HD3 LYS 19 HD1 LYS 19 7.303 1.910 2.470
178 HE2 LYS 19 HE2 LYS 19 5.924 3.167 1.139
179 HE3 LYS 19 HE1 LYS 19 5.652 3.927 2.703
180 HZ1 LYS 19 HZ1 LYS 19 7.131 5.698 2.105
181 HZ2 LYS 19 HZ2 LYS 19 5.990 5.516 0.873
182 HZ3 LYS 19 HZ3 LYS 19 7.559 4.930 0.660
183 H ARG 20 HN ARG 20 11.779 5.485 4.720
184 HA ARG 20 HA ARG 20 11.315 8.312 4.892
185 HB2 ARG 20 HB2 ARG 20 13.402 8.383 6.185
186 HB3 ARG 20 HB1 ARG 20 12.291 7.168 6.795
187 HG2 ARG 20 HG2 ARG 20 13.598 5.438 5.603
188 HG3 ARG 20 HG1 ARG 20 14.740 6.689 5.114
189 HD2 ARG 20 HD2 ARG 20 15.482 5.432 7.112
190 HD3 ARG 20 HD1 ARG 20 15.289 7.158 7.412
191 HE ARG 20 HE ARG 20 12.906 5.773 8.066
192 HH11 ARG 20 HH11 ARG 20 16.163 6.298 9.234
193 HH12 ARG 20 HH12 ARG 20 15.736 6.076 10.900
194 HH21 ARG 20 HH21 ARG 20 12.340 5.487 10.256
195 HH22 ARG 20 HH22 ARG 20 13.563 5.614 11.482
196 HA PRO 21 HA PRO 21 13.302 9.407 1.103
197 HB2 PRO 21 HB2 PRO 21 13.907 11.987 2.387
198 HB3 PRO 21 HB1 PRO 21 12.948 11.644 0.947
199 HG2 PRO 21 HG2 PRO 21 11.811 12.398 3.253
200 HG3 PRO 21 HG1 PRO 21 11.030 11.252 2.152
201 HD2 PRO 21 HD2 PRO 21 12.478 10.736 4.711
202 HD3 PRO 21 HD1 PRO 21 11.024 9.962 4.051
203 H SER 22 HN SER 22 15.290 9.077 0.358
204 HA SER 22 HA SER 22 17.561 9.449 2.186
205 HB2 SER 22 HB2 SER 22 17.447 7.845 -0.383
206 HB3 SER 22 HB1 SER 22 18.762 7.859 0.791
207 HG SER 22 HG SER 22 17.480 6.796 2.244
Start of MODEL 11
1 H1 LEU 1 HT1 LEU 1 -11.898 8.653 2.589
2 H2 LEU 1 HT2 LEU 1 -10.350 9.048 2.047
3 H3 LEU 1 HT3 LEU 1 -10.682 7.484 2.592
4 HA LEU 1 HA LEU 1 -11.830 8.775 0.192
5 HB2 LEU 1 HB2 LEU 1 -9.915 6.444 0.431
6 HB3 LEU 1 HB1 LEU 1 -10.620 7.028 -1.058
7 HG LEU 1 HG LEU 1 -8.460 7.871 -1.109
8 HD11 LEU 1 HD11 LEU 1 -8.635 10.285 -0.826
9 HD12 LEU 1 HD12 LEU 1 -10.117 10.069 0.104
10 HD13 LEU 1 HD13 LEU 1 -10.069 9.610 -1.596
11 HD21 LEU 1 HD21 LEU 1 -8.732 8.651 1.788
12 HD22 LEU 1 HD22 LEU 1 -7.327 8.949 0.766
13 HD23 LEU 1 HD23 LEU 1 -7.802 7.295 1.152
14 H ARG 2 HN ARG 2 -11.258 5.463 1.353
15 HA ARG 2 HA ARG 2 -13.908 4.777 1.924
16 HB2 ARG 2 HB2 ARG 2 -13.936 5.185 -0.659
17 HB3 ARG 2 HB1 ARG 2 -13.100 3.645 -0.737
18 HG2 ARG 2 HG2 ARG 2 -15.438 3.286 -1.089
19 HG3 ARG 2 HG1 ARG 2 -14.984 2.604 0.474
20 HD2 ARG 2 HD2 ARG 2 -15.857 4.602 1.590
21 HD3 ARG 2 HD1 ARG 2 -16.311 5.276 0.025
22 HE ARG 2 HE ARG 2 -17.508 2.770 0.245
23 HH11 ARG 2 HH11 ARG 2 -17.722 5.940 1.723
24 HH12 ARG 2 HH12 ARG 2 -19.365 5.723 2.232
25 HH21 ARG 2 HH21 ARG 2 -19.664 2.499 0.883
26 HH22 ARG 2 HH22 ARG 2 -20.471 3.764 1.755
27 H LEU 3 HN LEU 3 -14.111 2.351 2.148
28 HA LEU 3 HA LEU 3 -12.028 1.284 3.569
29 HB2 LEU 3 HB2 LEU 3 -14.474 0.567 3.378
30 HB3 LEU 3 HB1 LEU 3 -13.904 -0.373 2.032
31 HG LEU 3 HG LEU 3 -12.758 -0.729 4.778
32 HD11 LEU 3 HD11 LEU 3 -14.295 -2.626 5.029
33 HD12 LEU 3 HD12 LEU 3 -15.092 -2.166 3.525
34 HD13 LEU 3 HD13 LEU 3 -15.159 -1.092 4.921
35 HD21 LEU 3 HD21 LEU 3 -11.456 -1.642 2.922
36 HD22 LEU 3 HD22 LEU 3 -12.873 -2.523 2.352
37 HD23 LEU 3 HD23 LEU 3 -12.147 -2.932 3.907
38 H ILE 4 HN ILE 4 -12.961 0.351 0.297
39 HA ILE 4 HA ILE 4 -10.898 -1.466 -0.135
40 HB ILE 4 HB ILE 4 -12.324 0.193 -2.215
41 HG12 ILE 4 HG12 ILE 4 -13.918 -1.001 -0.836
42 HG13 ILE 4 HG11 ILE 4 -13.804 -1.795 -2.398
43 HG21 ILE 4 HG21 ILE 4 -11.761 -1.606 -3.760
44 HG22 ILE 4 HG22 ILE 4 -10.888 -2.446 -2.480
45 HG23 ILE 4 HG23 ILE 4 -10.303 -0.893 -3.073
46 HD11 ILE 4 HD11 ILE 4 -13.918 -3.417 -0.605
47 HD12 ILE 4 HD12 ILE 4 -12.488 -2.711 0.146
48 HD13 ILE 4 HD13 ILE 4 -12.359 -3.506 -1.423
49 H HIS 5 HN HIS 5 -11.053 1.991 -0.825
50 HA HIS 5 HA HIS 5 -8.460 2.104 -2.014
51 HB2 HIS 5 HB2 HIS 5 -10.311 4.230 -0.944
52 HB3 HIS 5 HB1 HIS 5 -8.722 4.610 -1.591
53 HD1 HIS 5 HD1 HIS 5 -8.727 5.185 -3.993
54 HD2 HIS 5 HD2 HIS 5 -11.917 2.723 -2.983
55 HE1 HIS 5 HE1 HIS 5 -10.094 4.957 -6.080
56 HE2 HIS 5 HE2 HIS 5 -11.894 3.295 -5.504
57 H ALA 6 HN ALA 6 -9.644 2.047 1.218
58 HA ALA 6 HA ALA 6 -7.365 3.334 2.411
59 HB1 ALA 6 HB1 ALA 6 -9.455 1.567 3.676
60 HB2 ALA 6 HB2 ALA 6 -9.554 3.318 3.515
61 HB3 ALA 6 HB3 ALA 6 -8.307 2.597 4.528
62 H VAL 7 HN VAL 7 -8.513 -0.025 2.201
63 HA VAL 7 HA VAL 7 -6.200 -1.067 3.472
64 HB VAL 7 HB VAL 7 -8.254 -2.319 3.588
65 HG11 VAL 7 HG11 VAL 7 -9.276 -1.698 1.497
66 HG12 VAL 7 HG12 VAL 7 -9.186 -3.458 1.617
67 HG13 VAL 7 HG13 VAL 7 -8.041 -2.585 0.599
68 HG21 VAL 7 HG21 VAL 7 -7.453 -4.542 2.886
69 HG22 VAL 7 HG22 VAL 7 -6.219 -3.611 3.735
70 HG23 VAL 7 HG23 VAL 7 -6.154 -3.767 1.978
71 H ARG 8 HN ARG 8 -7.122 -0.689 0.058
72 HA ARG 8 HA ARG 8 -5.013 -2.136 -1.058
73 HB2 ARG 8 HB2 ARG 8 -6.895 -0.088 -2.011
74 HB3 ARG 8 HB1 ARG 8 -5.380 -0.173 -2.903
75 HG2 ARG 8 HG2 ARG 8 -7.049 -1.564 -3.952
76 HG3 ARG 8 HG1 ARG 8 -5.755 -2.558 -3.290
77 HD2 ARG 8 HD2 ARG 8 -7.143 -3.052 -1.335
78 HD3 ARG 8 HD1 ARG 8 -8.440 -2.072 -2.014
79 HE ARG 8 HE ARG 8 -7.723 -4.005 -3.901
80 HH11 ARG 8 HH11 ARG 8 -9.196 -3.836 -0.737
81 HH12 ARG 8 HH12 ARG 8 -10.168 -5.251 -0.969
82 HH21 ARG 8 HH21 ARG 8 -8.997 -5.866 -4.220
83 HH22 ARG 8 HH22 ARG 8 -10.064 -6.398 -2.958
84 H GLY 9 HN GLY 9 -5.212 1.393 -0.644
85 HA2 GLY 9 HA2 GLY 9 -2.606 1.996 -1.387
86 HA3 GLY 9 HA1 GLY 9 -3.579 2.964 -0.290
87 H TYR 10 HN TYR 10 -3.851 0.827 1.654
88 HA TYR 10 HA TYR 10 -1.666 1.309 3.296
89 HB2 TYR 10 HB2 TYR 10 -3.612 0.582 4.375
90 HB3 TYR 10 HB1 TYR 10 -3.813 -0.789 3.292
91 HD1 TYR 10 HD1 TYR 10 -1.237 0.465 5.721
92 HD2 TYR 10 HD2 TYR 10 -3.440 -2.848 4.203
93 HE1 TYR 10 HE1 TYR 10 -0.146 -1.005 7.364
94 HE2 TYR 10 HE2 TYR 10 -2.350 -4.325 5.844
95 HH TYR 10 HH TYR 10 -0.220 -4.361 7.157
96 H TRP 11 HN TRP 11 -2.368 -1.760 1.533
97 HA TRP 11 HA TRP 11 0.227 -2.717 2.287
98 HB2 TRP 11 HB2 TRP 11 -0.305 -4.752 1.062
99 HB3 TRP 11 HB1 TRP 11 -1.610 -4.291 2.135
100 HD1 TRP 11 HD1 TRP 11 -3.917 -3.536 1.013
101 HE1 TRP 11 HE1 TRP 11 -4.911 -4.038 -1.303
102 HE3 TRP 11 HE3 TRP 11 0.338 -5.021 -1.375
103 HZ2 TRP 11 HZ2 TRP 11 -4.001 -4.942 -3.822
104 HZ3 TRP 11 HZ3 TRP 11 0.195 -5.700 -3.735
105 HH2 TRP 11 HH2 TRP 11 -1.931 -5.658 -4.932
106 H LEU 12 HN LEU 12 -1.135 -1.226 -0.545
107 HA LEU 12 HA LEU 12 0.887 -1.864 -2.377
108 HB2 LEU 12 HB2 LEU 12 -0.962 0.502 -2.181
109 HB3 LEU 12 HB1 LEU 12 0.107 0.230 -3.541
110 HG LEU 12 HG LEU 12 -1.981 -1.759 -2.661
111 HD11 LEU 12 HD11 LEU 12 -2.148 0.324 -4.840
112 HD12 LEU 12 HD12 LEU 12 -3.068 0.324 -3.336
113 HD13 LEU 12 HD13 LEU 12 -3.330 -0.945 -4.532
114 HD21 LEU 12 HD21 LEU 12 -1.629 -2.684 -4.898
115 HD22 LEU 12 HD22 LEU 12 -0.136 -2.684 -3.959
116 HD23 LEU 12 HD23 LEU 12 -0.391 -1.467 -5.211
117 H THR 13 HN THR 13 0.782 0.535 0.168
118 HA THR 13 HA THR 13 3.257 1.764 -0.760
119 HB THR 13 HB THR 13 3.027 3.142 1.345
120 HG1 THR 13 HG1 THR 13 0.376 2.141 1.466
121 HG21 THR 13 HG21 THR 13 2.243 3.964 -0.817
122 HG22 THR 13 HG22 THR 13 1.178 4.491 0.483
123 HG23 THR 13 HG23 THR 13 0.696 3.160 -0.566
124 H ASN 14 HN ASN 14 2.396 -0.908 1.014
125 HA ASN 14 HA ASN 14 4.686 -0.736 2.837
126 HB2 ASN 14 HB2 ASN 14 2.087 -2.118 2.870
127 HB3 ASN 14 HB1 ASN 14 3.420 -2.972 3.629
128 HD21 ASN 14 HD21 ASN 14 1.373 -0.179 3.751
129 HD22 ASN 14 HD22 ASN 14 1.823 0.316 5.345
130 H LYS 15 HN LYS 15 3.586 -2.392 0.018
131 HA LYS 15 HA LYS 15 5.364 -4.628 0.179
132 HB2 LYS 15 HB2 LYS 15 4.139 -3.341 -2.266
133 HB3 LYS 15 HB1 LYS 15 4.873 -4.930 -2.192
134 HG2 LYS 15 HG2 LYS 15 2.379 -4.050 -0.767
135 HG3 LYS 15 HG1 LYS 15 2.458 -5.095 -2.186
136 HD2 LYS 15 HD2 LYS 15 3.684 -5.745 0.493
137 HD3 LYS 15 HD1 LYS 15 2.112 -6.326 -0.054
138 HE2 LYS 15 HE2 LYS 15 3.178 -7.475 -1.927
139 HE3 LYS 15 HE1 LYS 15 4.751 -6.861 -1.417
140 HZ1 LYS 15 HZ1 LYS 15 4.452 -9.111 -0.669
141 HZ2 LYS 15 HZ2 LYS 15 3.013 -8.707 0.122
142 HZ3 LYS 15 HZ3 LYS 15 4.482 -8.077 0.668
143 H VAL 16 HN VAL 16 5.913 -1.459 -0.082
144 HA VAL 16 HA VAL 16 8.120 -1.523 -1.972
145 HB VAL 16 HB VAL 16 7.427 0.883 -0.351
146 HG11 VAL 16 HG11 VAL 16 9.254 0.987 -1.948
147 HG12 VAL 16 HG12 VAL 16 7.932 2.044 -2.441
148 HG13 VAL 16 HG13 VAL 16 8.167 0.492 -3.246
149 HG21 VAL 16 HG21 VAL 16 5.721 -0.122 -2.630
150 HG22 VAL 16 HG22 VAL 16 5.574 1.455 -1.856
151 HG23 VAL 16 HG23 VAL 16 5.233 -0.016 -0.934
152 HA PRO 17 HA PRO 17 10.708 -2.332 1.649
153 HB2 PRO 17 HB2 PRO 17 13.026 -2.656 0.282
154 HB3 PRO 17 HB1 PRO 17 11.810 -3.932 0.431
155 HG2 PRO 17 HG2 PRO 17 12.320 -2.060 -1.847
156 HG3 PRO 17 HG1 PRO 17 11.932 -3.790 -1.884
157 HD2 PRO 17 HD2 PRO 17 10.091 -1.859 -2.369
158 HD3 PRO 17 HD1 PRO 17 9.673 -3.415 -1.624
159 H ILE 18 HN ILE 18 12.398 -1.250 2.703
160 HA ILE 18 HA ILE 18 13.222 0.654 3.580
161 HB ILE 18 HB ILE 18 14.214 0.941 0.759
162 HG12 ILE 18 HG12 ILE 18 15.453 -0.405 3.164
163 HG13 ILE 18 HG11 ILE 18 14.761 -1.227 1.770
164 HG21 ILE 18 HG21 ILE 18 14.483 3.013 2.052
165 HG22 ILE 18 HG22 ILE 18 16.043 2.259 1.722
166 HG23 ILE 18 HG23 ILE 18 15.311 2.108 3.319
167 HD11 ILE 18 HD11 ILE 18 17.190 -1.182 1.671
168 HD12 ILE 18 HD12 ILE 18 17.166 0.581 1.730
169 HD13 ILE 18 HD13 ILE 18 16.482 -0.264 0.342
170 H LYS 19 HN LYS 19 11.133 1.558 3.938
171 HA LYS 19 HA LYS 19 9.741 3.062 1.999
172 HB2 LYS 19 HB2 LYS 19 8.313 3.776 3.864
173 HB3 LYS 19 HB1 LYS 19 8.593 2.043 3.879
174 HG2 LYS 19 HG2 LYS 19 10.383 2.446 5.592
175 HG3 LYS 19 HG1 LYS 19 9.820 4.116 5.675
176 HD2 LYS 19 HD2 LYS 19 8.162 1.655 6.235
177 HD3 LYS 19 HD1 LYS 19 8.837 2.741 7.448
178 HE2 LYS 19 HE2 LYS 19 6.808 3.482 5.344
179 HE3 LYS 19 HE1 LYS 19 6.467 3.192 7.047
180 HZ1 LYS 19 HZ1 LYS 19 6.618 5.533 6.633
181 HZ2 LYS 19 HZ2 LYS 19 8.145 5.370 5.933
182 HZ3 LYS 19 HZ3 LYS 19 7.937 5.067 7.581
183 H ARG 20 HN ARG 20 12.242 3.897 4.262
184 HA ARG 20 HA ARG 20 11.784 6.738 4.012
185 HB2 ARG 20 HB2 ARG 20 14.092 5.247 5.266
186 HB3 ARG 20 HB1 ARG 20 13.814 6.976 5.378
187 HG2 ARG 20 HG2 ARG 20 11.777 6.610 6.616
188 HG3 ARG 20 HG1 ARG 20 11.954 4.864 6.443
189 HD2 ARG 20 HD2 ARG 20 14.048 4.958 7.705
190 HD3 ARG 20 HD1 ARG 20 13.864 6.703 7.878
191 HE ARG 20 HE ARG 20 11.551 5.607 8.893
192 HH11 ARG 20 HH11 ARG 20 14.970 5.331 9.585
193 HH12 ARG 20 HH12 ARG 20 14.738 5.052 11.280
194 HH21 ARG 20 HH21 ARG 20 11.232 5.225 11.123
195 HH22 ARG 20 HH22 ARG 20 12.604 4.981 12.156
196 HA PRO 21 HA PRO 21 14.530 7.091 0.459
197 HB2 PRO 21 HB2 PRO 21 14.491 9.955 0.786
198 HB3 PRO 21 HB1 PRO 21 13.691 8.983 -0.450
199 HG2 PRO 21 HG2 PRO 21 12.382 10.382 1.525
200 HG3 PRO 21 HG1 PRO 21 11.710 8.990 0.659
201 HD2 PRO 21 HD2 PRO 21 12.906 9.129 3.392
202 HD3 PRO 21 HD1 PRO 21 11.559 8.145 2.784
203 H SER 22 HN SER 22 15.713 6.492 2.915
204 HA SER 22 HA SER 22 18.271 7.673 2.705
205 HB2 SER 22 HB2 SER 22 17.036 9.543 3.832
206 HB3 SER 22 HB1 SER 22 16.686 8.454 5.171
207 HG SER 22 HG SER 22 19.228 9.361 4.289
Start of MODEL 12
1 H1 LEU 1 HT1 LEU 1 -13.227 8.954 2.662
2 H2 LEU 1 HT2 LEU 1 -13.798 8.850 1.073
3 H3 LEU 1 HT3 LEU 1 -12.496 9.866 1.440
4 HA LEU 1 HA LEU 1 -11.755 7.859 0.346
5 HB2 LEU 1 HB2 LEU 1 -10.420 9.083 2.119
6 HB3 LEU 1 HB1 LEU 1 -10.969 7.880 3.264
7 HG LEU 1 HG LEU 1 -8.625 7.608 2.297
8 HD11 LEU 1 HD11 LEU 1 -10.556 5.310 2.060
9 HD12 LEU 1 HD12 LEU 1 -9.735 5.836 3.529
10 HD13 LEU 1 HD13 LEU 1 -8.803 5.177 2.185
11 HD21 LEU 1 HD21 LEU 1 -10.194 6.646 -0.087
12 HD22 LEU 1 HD22 LEU 1 -8.452 6.504 0.140
13 HD23 LEU 1 HD23 LEU 1 -9.193 8.096 -0.027
14 H ARG 2 HN ARG 2 -12.429 5.894 -0.150
15 HA ARG 2 HA ARG 2 -14.226 4.467 1.623
16 HB2 ARG 2 HB2 ARG 2 -14.466 4.722 -0.930
17 HB3 ARG 2 HB1 ARG 2 -13.204 3.504 -1.032
18 HG2 ARG 2 HG2 ARG 2 -15.364 2.471 -1.282
19 HG3 ARG 2 HG1 ARG 2 -14.621 1.948 0.231
20 HD2 ARG 2 HD2 ARG 2 -15.966 3.602 1.447
21 HD3 ARG 2 HD1 ARG 2 -16.721 4.095 -0.065
22 HE ARG 2 HE ARG 2 -17.319 1.516 -0.050
23 HH11 ARG 2 HH11 ARG 2 -17.443 3.852 2.558
24 HH12 ARG 2 HH12 ARG 2 -18.779 3.083 3.354
25 HH21 ARG 2 HH21 ARG 2 -19.077 0.501 0.997
26 HH22 ARG 2 HH22 ARG 2 -19.703 1.167 2.469
27 H LEU 3 HN LEU 3 -13.877 2.439 2.453
28 HA LEU 3 HA LEU 3 -11.358 1.864 3.412
29 HB2 LEU 3 HB2 LEU 3 -12.393 -0.491 3.791
30 HB3 LEU 3 HB1 LEU 3 -12.971 0.895 4.700
31 HG LEU 3 HG LEU 3 -14.813 1.055 2.904
32 HD11 LEU 3 HD11 LEU 3 -13.761 -0.469 1.294
33 HD12 LEU 3 HD12 LEU 3 -15.374 -0.999 1.767
34 HD13 LEU 3 HD13 LEU 3 -13.952 -1.791 2.444
35 HD21 LEU 3 HD21 LEU 3 -14.696 -1.268 4.806
36 HD22 LEU 3 HD22 LEU 3 -16.163 -0.637 4.058
37 HD23 LEU 3 HD23 LEU 3 -15.241 0.368 5.175
38 H ILE 4 HN ILE 4 -12.832 0.799 0.452
39 HA ILE 4 HA ILE 4 -11.119 -1.309 -0.146
40 HB ILE 4 HB ILE 4 -12.390 0.676 -2.038
41 HG12 ILE 4 HG12 ILE 4 -13.996 -0.633 -0.720
42 HG13 ILE 4 HG11 ILE 4 -14.047 -1.081 -2.417
43 HG21 ILE 4 HG21 ILE 4 -11.087 -1.970 -2.662
44 HG22 ILE 4 HG22 ILE 4 -10.493 -0.374 -3.124
45 HG23 ILE 4 HG23 ILE 4 -12.001 -0.983 -3.804
46 HD11 ILE 4 HD11 ILE 4 -14.210 -3.040 -1.027
47 HD12 ILE 4 HD12 ILE 4 -12.704 -2.621 -0.213
48 HD13 ILE 4 HD13 ILE 4 -12.689 -3.062 -1.920
49 H HIS 5 HN HIS 5 -10.782 2.157 -0.741
50 HA HIS 5 HA HIS 5 -8.213 1.919 -1.976
51 HB2 HIS 5 HB2 HIS 5 -9.691 4.309 -0.853
52 HB3 HIS 5 HB1 HIS 5 -8.135 4.418 -1.664
53 HD1 HIS 5 HD1 HIS 5 -8.485 5.296 -3.941
54 HD2 HIS 5 HD2 HIS 5 -11.530 2.705 -2.799
55 HE1 HIS 5 HE1 HIS 5 -10.018 5.125 -5.928
56 HE2 HIS 5 HE2 HIS 5 -11.820 3.504 -5.239
57 H ALA 6 HN ALA 6 -9.425 2.233 1.245
58 HA ALA 6 HA ALA 6 -7.048 3.147 2.489
59 HB1 ALA 6 HB1 ALA 6 -9.315 1.587 3.714
60 HB2 ALA 6 HB2 ALA 6 -9.282 3.338 3.511
61 HB3 ALA 6 HB3 ALA 6 -8.114 2.552 4.572
62 H VAL 7 HN VAL 7 -8.440 -0.116 2.049
63 HA VAL 7 HA VAL 7 -6.195 -1.328 3.371
64 HB VAL 7 HB VAL 7 -8.312 -2.462 3.541
65 HG11 VAL 7 HG11 VAL 7 -9.365 -3.522 1.577
66 HG12 VAL 7 HG12 VAL 7 -8.212 -2.681 0.542
67 HG13 VAL 7 HG13 VAL 7 -9.373 -1.760 1.501
68 HG21 VAL 7 HG21 VAL 7 -6.402 -4.038 1.815
69 HG22 VAL 7 HG22 VAL 7 -7.673 -4.718 2.834
70 HG23 VAL 7 HG23 VAL 7 -6.318 -3.861 3.570
71 H ARG 8 HN ARG 8 -7.191 -0.864 -0.001
72 HA ARG 8 HA ARG 8 -5.104 -2.361 -1.159
73 HB2 ARG 8 HB2 ARG 8 -6.971 -0.259 -2.118
74 HB3 ARG 8 HB1 ARG 8 -5.516 -0.523 -3.066
75 HG2 ARG 8 HG2 ARG 8 -7.368 -1.816 -3.945
76 HG3 ARG 8 HG1 ARG 8 -6.104 -2.877 -3.326
77 HD2 ARG 8 HD2 ARG 8 -7.374 -3.279 -1.312
78 HD3 ARG 8 HD1 ARG 8 -8.602 -2.120 -1.818
79 HE ARG 8 HE ARG 8 -8.268 -4.173 -3.753
80 HH11 ARG 8 HH11 ARG 8 -9.702 -3.528 -0.630
81 HH12 ARG 8 HH12 ARG 8 -10.940 -4.728 -0.804
82 HH21 ARG 8 HH21 ARG 8 -9.891 -5.775 -3.980
83 HH22 ARG 8 HH22 ARG 8 -11.041 -6.014 -2.701
84 H GLY 9 HN GLY 9 -5.384 1.147 -0.654
85 HA2 GLY 9 HA2 GLY 9 -2.811 1.850 -1.441
86 HA3 GLY 9 HA1 GLY 9 -3.788 2.753 -0.293
87 H TYR 10 HN TYR 10 -3.969 0.575 1.599
88 HA TYR 10 HA TYR 10 -1.794 1.030 3.237
89 HB2 TYR 10 HB2 TYR 10 -3.617 0.127 4.345
90 HB3 TYR 10 HB1 TYR 10 -3.894 -1.097 3.112
91 HD1 TYR 10 HD1 TYR 10 -3.322 -3.277 3.568
92 HD2 TYR 10 HD2 TYR 10 -1.358 -0.161 5.706
93 HE1 TYR 10 HE1 TYR 10 -2.134 -4.956 4.919
94 HE2 TYR 10 HE2 TYR 10 -0.170 -1.833 7.063
95 HH TYR 10 HH TYR 10 -0.070 -5.129 6.243
96 H TRP 11 HN TRP 11 -2.355 -1.981 1.337
97 HA TRP 11 HA TRP 11 0.289 -2.850 2.009
98 HB2 TRP 11 HB2 TRP 11 -0.165 -4.834 0.687
99 HB3 TRP 11 HB1 TRP 11 -1.512 -4.476 1.748
100 HD1 TRP 11 HD1 TRP 11 -3.836 -3.856 0.638
101 HE1 TRP 11 HE1 TRP 11 -4.744 -4.182 -1.747
102 HE3 TRP 11 HE3 TRP 11 0.569 -4.768 -1.784
103 HZ2 TRP 11 HZ2 TRP 11 -3.720 -4.747 -4.319
104 HZ3 TRP 11 HZ3 TRP 11 0.518 -5.196 -4.204
105 HH2 TRP 11 HH2 TRP 11 -1.581 -5.187 -5.442
106 H LEU 12 HN LEU 12 -1.156 -1.200 -0.674
107 HA LEU 12 HA LEU 12 0.845 -1.641 -2.590
108 HB2 LEU 12 HB2 LEU 12 -1.098 0.618 -2.181
109 HB3 LEU 12 HB1 LEU 12 -0.011 0.540 -3.553
110 HG LEU 12 HG LEU 12 -1.982 -1.643 -2.905
111 HD11 LEU 12 HD11 LEU 12 -2.290 0.694 -4.800
112 HD12 LEU 12 HD12 LEU 12 -3.212 0.421 -3.321
113 HD13 LEU 12 HD13 LEU 12 -3.385 -0.683 -4.684
114 HD21 LEU 12 HD21 LEU 12 -0.115 -2.310 -4.313
115 HD22 LEU 12 HD22 LEU 12 -0.416 -0.949 -5.393
116 HD23 LEU 12 HD23 LEU 12 -1.602 -2.247 -5.257
117 H THR 13 HN THR 13 0.656 0.619 0.084
118 HA THR 13 HA THR 13 3.154 1.878 -0.740
119 HB THR 13 HB THR 13 2.818 3.236 1.382
120 HG1 THR 13 HG1 THR 13 0.160 2.224 1.256
121 HG21 THR 13 HG21 THR 13 0.669 3.333 -0.737
122 HG22 THR 13 HG22 THR 13 2.252 4.104 -0.829
123 HG23 THR 13 HG23 THR 13 1.076 4.642 0.371
124 H ASN 14 HN ASN 14 2.046 -0.556 1.469
125 HA ASN 14 HA ASN 14 4.276 -0.202 3.294
126 HB2 ASN 14 HB2 ASN 14 1.732 -1.685 3.304
127 HB3 ASN 14 HB1 ASN 14 3.035 -2.354 4.282
128 HD21 ASN 14 HD21 ASN 14 0.898 0.358 3.822
129 HD22 ASN 14 HD22 ASN 14 1.159 1.077 5.377
130 H LYS 15 HN LYS 15 3.244 -2.586 0.896
131 HA LYS 15 HA LYS 15 5.117 -4.594 1.660
132 HB2 LYS 15 HB2 LYS 15 3.800 -4.124 -1.019
133 HB3 LYS 15 HB1 LYS 15 4.647 -5.581 -0.538
134 HG2 LYS 15 HG2 LYS 15 2.184 -4.511 0.800
135 HG3 LYS 15 HG1 LYS 15 2.190 -5.779 -0.425
136 HD2 LYS 15 HD2 LYS 15 3.808 -6.047 2.088
137 HD3 LYS 15 HD1 LYS 15 2.094 -6.451 2.067
138 HE2 LYS 15 HE2 LYS 15 3.276 -8.467 1.691
139 HE3 LYS 15 HE1 LYS 15 2.583 -7.994 0.148
140 HZ1 LYS 15 HZ1 LYS 15 5.394 -7.466 0.935
141 HZ2 LYS 15 HZ2 LYS 15 4.702 -7.228 -0.589
142 HZ3 LYS 15 HZ3 LYS 15 4.897 -8.790 0.014
143 H VAL 16 HN VAL 16 5.501 -1.632 0.316
144 HA VAL 16 HA VAL 16 7.641 -2.242 -1.527
145 HB VAL 16 HB VAL 16 6.808 0.505 -0.670
146 HG11 VAL 16 HG11 VAL 16 7.354 1.071 -2.979
147 HG12 VAL 16 HG12 VAL 16 7.736 -0.618 -3.306
148 HG13 VAL 16 HG13 VAL 16 8.716 0.302 -2.166
149 HG21 VAL 16 HG21 VAL 16 5.336 -1.241 -2.637
150 HG22 VAL 16 HG22 VAL 16 5.006 0.461 -2.313
151 HG23 VAL 16 HG23 VAL 16 4.742 -0.747 -1.046
152 HA PRO 17 HA PRO 17 10.539 -1.797 1.864
153 HB2 PRO 17 HB2 PRO 17 12.750 -2.495 0.499
154 HB3 PRO 17 HB1 PRO 17 11.542 -3.687 0.991
155 HG2 PRO 17 HG2 PRO 17 11.931 -2.374 -1.674
156 HG3 PRO 17 HG1 PRO 17 11.594 -4.076 -1.306
157 HD2 PRO 17 HD2 PRO 17 9.678 -2.312 -2.106
158 HD3 PRO 17 HD1 PRO 17 9.340 -3.702 -1.056
159 H ILE 18 HN ILE 18 11.758 -0.122 2.563
160 HA ILE 18 HA ILE 18 12.452 1.948 0.602
161 HB ILE 18 HB ILE 18 12.325 2.273 3.603
162 HG12 ILE 18 HG12 ILE 18 10.234 2.971 1.523
163 HG13 ILE 18 HG11 ILE 18 10.105 1.668 2.699
164 HG21 ILE 18 HG21 ILE 18 12.391 4.278 1.347
165 HG22 ILE 18 HG22 ILE 18 13.719 3.904 2.445
166 HG23 ILE 18 HG23 ILE 18 12.255 4.668 3.062
167 HD11 ILE 18 HD11 ILE 18 10.121 3.296 4.511
168 HD12 ILE 18 HD12 ILE 18 8.810 3.610 3.373
169 HD13 ILE 18 HD13 ILE 18 10.267 4.605 3.339
170 H LYS 19 HN LYS 19 14.253 0.468 0.054
171 HA LYS 19 HA LYS 19 16.446 0.463 1.979
172 HB2 LYS 19 HB2 LYS 19 16.191 -0.779 -0.765
173 HB3 LYS 19 HB1 LYS 19 17.632 -0.883 0.236
174 HG2 LYS 19 HG2 LYS 19 14.911 -1.983 0.917
175 HG3 LYS 19 HG1 LYS 19 16.321 -2.912 0.404
176 HD2 LYS 19 HD2 LYS 19 17.532 -2.120 2.405
177 HD3 LYS 19 HD1 LYS 19 16.075 -1.278 2.929
178 HE2 LYS 19 HE2 LYS 19 16.236 -3.374 4.096
179 HE3 LYS 19 HE1 LYS 19 14.885 -3.446 2.966
180 HZ1 LYS 19 HZ1 LYS 19 16.235 -5.470 2.948
181 HZ2 LYS 19 HZ2 LYS 19 17.586 -4.576 2.466
182 HZ3 LYS 19 HZ3 LYS 19 16.247 -4.700 1.442
183 H ARG 20 HN ARG 20 15.414 1.974 -0.966
184 HA ARG 20 HA ARG 20 17.897 3.365 -1.403
185 HB2 ARG 20 HB2 ARG 20 15.135 3.877 -2.523
186 HB3 ARG 20 HB1 ARG 20 16.608 4.654 -3.074
187 HG2 ARG 20 HG2 ARG 20 17.477 2.520 -3.832
188 HG3 ARG 20 HG1 ARG 20 16.035 1.703 -3.229
189 HD2 ARG 20 HD2 ARG 20 14.655 3.013 -4.770
190 HD3 ARG 20 HD1 ARG 20 16.100 3.817 -5.377
191 HE ARG 20 HE ARG 20 16.526 1.101 -5.687
192 HH11 ARG 20 HH11 ARG 20 14.271 3.504 -6.854
193 HH12 ARG 20 HH12 ARG 20 13.980 2.691 -8.357
194 HH21 ARG 20 HH21 ARG 20 16.143 0.019 -7.671
195 HH22 ARG 20 HH22 ARG 20 15.046 0.708 -8.824
196 HA PRO 21 HA PRO 21 17.366 6.349 1.883
197 HB2 PRO 21 HB2 PRO 21 18.954 7.949 -0.081
198 HB3 PRO 21 HB1 PRO 21 19.211 7.723 1.653
199 HG2 PRO 21 HG2 PRO 21 20.705 6.421 -0.121
200 HG3 PRO 21 HG1 PRO 21 20.171 5.636 1.376
201 HD2 PRO 21 HD2 PRO 21 19.209 5.248 -1.412
202 HD3 PRO 21 HD1 PRO 21 19.295 4.090 -0.071
203 H SER 22 HN SER 22 15.267 6.991 1.825
204 HA SER 22 HA SER 22 14.199 8.465 -0.412
205 HB2 SER 22 HB2 SER 22 12.118 8.481 1.078
206 HB3 SER 22 HB1 SER 22 12.700 6.900 0.557
207 HG SER 22 HG SER 22 13.377 8.111 3.033
Start of MODEL 13
1 H1 LEU 1 HT1 LEU 1 -13.544 8.286 4.135
2 H2 LEU 1 HT2 LEU 1 -12.733 6.987 3.426
3 H3 LEU 1 HT3 LEU 1 -14.184 6.726 4.248
4 HA LEU 1 HA LEU 1 -15.396 7.986 2.627
5 HB2 LEU 1 HB2 LEU 1 -13.453 9.487 2.100
6 HB3 LEU 1 HB1 LEU 1 -12.756 8.183 1.167
7 HG LEU 1 HG LEU 1 -13.971 10.042 -0.104
8 HD11 LEU 1 HD11 LEU 1 -14.898 8.491 -1.756
9 HD12 LEU 1 HD12 LEU 1 -14.776 7.179 -0.586
10 HD13 LEU 1 HD13 LEU 1 -13.316 7.968 -1.178
11 HD21 LEU 1 HD21 LEU 1 -15.931 10.185 1.332
12 HD22 LEU 1 HD22 LEU 1 -16.375 8.533 0.906
13 HD23 LEU 1 HD23 LEU 1 -16.385 9.793 -0.325
14 H ARG 2 HN ARG 2 -12.629 5.915 1.723
15 HA ARG 2 HA ARG 2 -14.546 3.937 0.728
16 HB2 ARG 2 HB2 ARG 2 -13.656 5.354 -1.168
17 HB3 ARG 2 HB1 ARG 2 -12.061 4.716 -0.785
18 HG2 ARG 2 HG2 ARG 2 -12.980 3.481 -2.619
19 HG3 ARG 2 HG1 ARG 2 -12.902 2.440 -1.196
20 HD2 ARG 2 HD2 ARG 2 -15.008 2.136 -2.373
21 HD3 ARG 2 HD1 ARG 2 -15.278 2.835 -0.779
22 HE ARG 2 HE ARG 2 -15.066 4.782 -2.891
23 HH11 ARG 2 HH11 ARG 2 -17.235 2.653 -1.149
24 HH12 ARG 2 HH12 ARG 2 -18.650 3.581 -1.532
25 HH21 ARG 2 HH21 ARG 2 -16.928 5.996 -3.396
26 HH22 ARG 2 HH22 ARG 2 -18.476 5.479 -2.811
27 H LEU 3 HN LEU 3 -14.147 2.223 1.972
28 HA LEU 3 HA LEU 3 -11.731 1.706 3.259
29 HB2 LEU 3 HB2 LEU 3 -12.667 -0.698 3.370
30 HB3 LEU 3 HB1 LEU 3 -13.471 0.587 4.251
31 HG LEU 3 HG LEU 3 -15.022 0.716 2.170
32 HD11 LEU 3 HD11 LEU 3 -13.931 -2.071 1.843
33 HD12 LEU 3 HD12 LEU 3 -13.674 -0.731 0.729
34 HD13 LEU 3 HD13 LEU 3 -15.296 -1.373 0.974
35 HD21 LEU 3 HD21 LEU 3 -15.754 -0.007 4.348
36 HD22 LEU 3 HD22 LEU 3 -15.069 -1.607 4.074
37 HD23 LEU 3 HD23 LEU 3 -16.438 -1.056 3.108
38 H ILE 4 HN ILE 4 -12.820 0.829 0.085
39 HA ILE 4 HA ILE 4 -11.027 -1.209 -0.464
40 HB ILE 4 HB ILE 4 -12.048 0.897 -2.377
41 HG12 ILE 4 HG12 ILE 4 -13.852 -0.363 -1.317
42 HG13 ILE 4 HG11 ILE 4 -13.704 -0.806 -3.011
43 HG21 ILE 4 HG21 ILE 4 -10.811 -1.786 -2.974
44 HG22 ILE 4 HG22 ILE 4 -10.073 -0.213 -3.272
45 HG23 ILE 4 HG23 ILE 4 -11.521 -0.690 -4.160
46 HD11 ILE 4 HD11 ILE 4 -14.112 -2.755 -1.643
47 HD12 ILE 4 HD12 ILE 4 -12.685 -2.397 -0.674
48 HD13 ILE 4 HD13 ILE 4 -12.510 -2.838 -2.373
49 H HIS 5 HN HIS 5 -10.635 2.283 -0.998
50 HA HIS 5 HA HIS 5 -7.924 2.009 -1.855
51 HB2 HIS 5 HB2 HIS 5 -9.578 4.403 -1.074
52 HB3 HIS 5 HB1 HIS 5 -7.885 4.538 -1.530
53 HD1 HIS 5 HD1 HIS 5 -7.603 5.146 -3.899
54 HD2 HIS 5 HD2 HIS 5 -11.062 2.931 -3.285
55 HE1 HIS 5 HE1 HIS 5 -8.706 4.980 -6.144
56 HE2 HIS 5 HE2 HIS 5 -10.884 3.791 -5.714
57 H ALA 6 HN ALA 6 -9.475 2.167 1.190
58 HA ALA 6 HA ALA 6 -7.261 3.181 2.677
59 HB1 ALA 6 HB1 ALA 6 -9.566 3.300 3.511
60 HB2 ALA 6 HB2 ALA 6 -8.496 2.470 4.641
61 HB3 ALA 6 HB3 ALA 6 -9.603 1.540 3.631
62 H VAL 7 HN VAL 7 -8.552 -0.099 2.071
63 HA VAL 7 HA VAL 7 -6.348 -1.271 3.511
64 HB VAL 7 HB VAL 7 -8.478 -2.406 3.616
65 HG11 VAL 7 HG11 VAL 7 -8.217 -2.768 0.640
66 HG12 VAL 7 HG12 VAL 7 -9.421 -1.791 1.482
67 HG13 VAL 7 HG13 VAL 7 -9.428 -3.547 1.657
68 HG21 VAL 7 HG21 VAL 7 -6.516 -3.785 3.853
69 HG22 VAL 7 HG22 VAL 7 -6.395 -3.980 2.105
70 HG23 VAL 7 HG23 VAL 7 -7.757 -4.684 2.978
71 H ARG 8 HN ARG 8 -7.247 -0.892 0.091
72 HA ARG 8 HA ARG 8 -5.107 -2.358 -0.988
73 HB2 ARG 8 HB2 ARG 8 -6.904 -0.228 -2.009
74 HB3 ARG 8 HB1 ARG 8 -5.406 -0.486 -2.887
75 HG2 ARG 8 HG2 ARG 8 -7.181 -1.752 -3.905
76 HG3 ARG 8 HG1 ARG 8 -6.009 -2.852 -3.180
77 HD2 ARG 8 HD2 ARG 8 -7.446 -3.274 -1.327
78 HD3 ARG 8 HD1 ARG 8 -8.550 -1.991 -1.815
79 HE ARG 8 HE ARG 8 -8.347 -3.886 -3.891
80 HH11 ARG 8 HH11 ARG 8 -9.610 -3.596 -0.655
81 HH12 ARG 8 HH12 ARG 8 -10.944 -4.665 -0.926
82 HH21 ARG 8 HH21 ARG 8 -10.098 -5.320 -4.268
83 HH22 ARG 8 HH22 ARG 8 -11.227 -5.646 -2.992
84 H GLY 9 HN GLY 9 -5.384 1.153 -0.525
85 HA2 GLY 9 HA2 GLY 9 -2.793 1.848 -1.221
86 HA3 GLY 9 HA1 GLY 9 -3.811 2.765 -0.119
87 H TYR 10 HN TYR 10 -3.994 0.488 1.751
88 HA TYR 10 HA TYR 10 -1.830 1.033 3.425
89 HB2 TYR 10 HB2 TYR 10 -3.657 0.165 4.550
90 HB3 TYR 10 HB1 TYR 10 -3.947 -1.078 3.341
91 HD1 TYR 10 HD1 TYR 10 -3.687 -3.205 4.121
92 HD2 TYR 10 HD2 TYR 10 -1.121 -0.170 5.646
93 HE1 TYR 10 HE1 TYR 10 -2.557 -4.872 5.526
94 HE2 TYR 10 HE2 TYR 10 0.014 -1.835 7.058
95 HH TYR 10 HH TYR 10 -0.487 -5.218 6.659
96 H TRP 11 HN TRP 11 -2.418 -2.023 1.603
97 HA TRP 11 HA TRP 11 0.234 -2.871 2.278
98 HB2 TRP 11 HB2 TRP 11 -0.249 -4.907 1.004
99 HB3 TRP 11 HB1 TRP 11 -1.518 -4.527 2.149
100 HD1 TRP 11 HD1 TRP 11 -3.904 -3.843 1.177
101 HE1 TRP 11 HE1 TRP 11 -5.008 -4.317 -1.094
102 HE3 TRP 11 HE3 TRP 11 0.268 -5.078 -1.494
103 HZ2 TRP 11 HZ2 TRP 11 -4.211 -5.110 -3.683
104 HZ3 TRP 11 HZ3 TRP 11 0.010 -5.691 -3.864
105 HH2 TRP 11 HH2 TRP 11 -2.183 -5.706 -4.935
106 H LEU 12 HN LEU 12 -1.216 -1.327 -0.458
107 HA LEU 12 HA LEU 12 0.749 -1.883 -2.380
108 HB2 LEU 12 HB2 LEU 12 -1.110 0.466 -2.070
109 HB3 LEU 12 HB1 LEU 12 -0.107 0.200 -3.479
110 HG LEU 12 HG LEU 12 -2.199 -1.753 -2.516
111 HD11 LEU 12 HD11 LEU 12 -2.350 0.307 -4.723
112 HD12 LEU 12 HD12 LEU 12 -3.243 0.350 -3.203
113 HD13 LEU 12 HD13 LEU 12 -3.563 -0.925 -4.379
114 HD21 LEU 12 HD21 LEU 12 -1.931 -2.695 -4.771
115 HD22 LEU 12 HD22 LEU 12 -0.438 -2.772 -3.837
116 HD23 LEU 12 HD23 LEU 12 -0.632 -1.545 -5.088
117 H THR 13 HN THR 13 0.637 0.581 0.147
118 HA THR 13 HA THR 13 2.934 1.966 -0.968
119 HB THR 13 HB THR 13 2.713 3.420 1.069
120 HG1 THR 13 HG1 THR 13 0.188 2.232 1.507
121 HG21 THR 13 HG21 THR 13 0.237 3.072 -0.620
122 HG22 THR 13 HG22 THR 13 1.654 4.035 -1.042
123 HG23 THR 13 HG23 THR 13 0.645 4.504 0.325
124 H ASN 14 HN ASN 14 2.469 -0.676 1.011
125 HA ASN 14 HA ASN 14 4.788 -0.146 2.705
126 HB2 ASN 14 HB2 ASN 14 2.452 -1.948 2.809
127 HB3 ASN 14 HB1 ASN 14 3.922 -2.507 3.604
128 HD21 ASN 14 HD21 ASN 14 1.430 -0.059 3.565
129 HD22 ASN 14 HD22 ASN 14 1.759 0.577 5.141
130 H LYS 15 HN LYS 15 3.875 -1.997 -0.050
131 HA LYS 15 HA LYS 15 6.021 -3.899 0.077
132 HB2 LYS 15 HB2 LYS 15 4.439 -2.942 -2.315
133 HB3 LYS 15 HB1 LYS 15 5.443 -4.380 -2.246
134 HG2 LYS 15 HG2 LYS 15 2.953 -3.890 -0.638
135 HG3 LYS 15 HG1 LYS 15 3.078 -4.919 -2.065
136 HD2 LYS 15 HD2 LYS 15 4.699 -6.340 -0.882
137 HD3 LYS 15 HD1 LYS 15 4.531 -5.320 0.549
138 HE2 LYS 15 HE2 LYS 15 3.169 -7.336 0.733
139 HE3 LYS 15 HE1 LYS 15 2.165 -5.888 0.688
140 HZ1 LYS 15 HZ1 LYS 15 2.684 -7.736 -1.577
141 HZ2 LYS 15 HZ2 LYS 15 1.783 -6.315 -1.683
142 HZ3 LYS 15 HZ3 LYS 15 1.237 -7.590 -0.717
143 H VAL 16 HN VAL 16 5.840 -0.670 -0.439
144 HA VAL 16 HA VAL 16 7.890 -0.397 -2.457
145 HB VAL 16 HB VAL 16 6.831 1.871 -0.821
146 HG11 VAL 16 HG11 VAL 16 7.576 1.592 -3.729
147 HG12 VAL 16 HG12 VAL 16 8.558 2.329 -2.464
148 HG13 VAL 16 HG13 VAL 16 7.035 3.075 -2.944
149 HG21 VAL 16 HG21 VAL 16 5.319 0.506 -3.047
150 HG22 VAL 16 HG22 VAL 16 4.873 2.034 -2.291
151 HG23 VAL 16 HG23 VAL 16 4.856 0.541 -1.340
152 HA PRO 17 HA PRO 17 10.980 -0.298 0.840
153 HB2 PRO 17 HB2 PRO 17 12.944 -0.182 -1.292
154 HB3 PRO 17 HB1 PRO 17 12.646 -1.481 -0.136
155 HG2 PRO 17 HG2 PRO 17 12.099 -1.690 -2.797
156 HG3 PRO 17 HG1 PRO 17 11.222 -2.585 -1.544
157 HD2 PRO 17 HD2 PRO 17 10.421 -0.110 -3.023
158 HD3 PRO 17 HD1 PRO 17 9.435 -1.505 -2.539
159 H ILE 18 HN ILE 18 12.718 1.171 1.390
160 HA ILE 18 HA ILE 18 13.576 3.212 1.760
161 HB ILE 18 HB ILE 18 13.098 3.488 -1.189
162 HG12 ILE 18 HG12 ILE 18 15.607 2.729 0.314
163 HG13 ILE 18 HG11 ILE 18 14.542 1.590 -0.503
164 HG21 ILE 18 HG21 ILE 18 13.407 5.686 -0.187
165 HG22 ILE 18 HG22 ILE 18 14.830 5.245 -1.131
166 HG23 ILE 18 HG23 ILE 18 14.868 5.127 0.628
167 HD11 ILE 18 HD11 ILE 18 15.037 2.652 -2.638
168 HD12 ILE 18 HD12 ILE 18 16.508 2.093 -1.840
169 HD13 ILE 18 HD13 ILE 18 16.090 3.806 -1.822
170 H LYS 19 HN LYS 19 11.784 3.773 3.084
171 HA LYS 19 HA LYS 19 9.550 5.226 2.138
172 HB2 LYS 19 HB2 LYS 19 9.714 4.021 4.331
173 HB3 LYS 19 HB1 LYS 19 10.801 5.285 4.888
174 HG2 LYS 19 HG2 LYS 19 9.079 6.932 4.696
175 HG3 LYS 19 HG1 LYS 19 8.007 5.761 3.936
176 HD2 LYS 19 HD2 LYS 19 9.080 5.535 6.745
177 HD3 LYS 19 HD1 LYS 19 7.485 6.162 6.330
178 HE2 LYS 19 HE2 LYS 19 6.907 4.013 5.314
179 HE3 LYS 19 HE1 LYS 19 8.500 3.387 5.725
180 HZ1 LYS 19 HZ1 LYS 19 6.826 2.687 7.314
181 HZ2 LYS 19 HZ2 LYS 19 6.459 4.297 7.678
182 HZ3 LYS 19 HZ3 LYS 19 7.982 3.671 8.060
183 H ARG 20 HN ARG 20 12.794 6.008 2.984
184 HA ARG 20 HA ARG 20 12.676 8.758 3.390
185 HB2 ARG 20 HB2 ARG 20 14.852 7.181 2.004
186 HB3 ARG 20 HB1 ARG 20 15.028 8.789 2.685
187 HG2 ARG 20 HG2 ARG 20 14.400 6.300 4.246
188 HG3 ARG 20 HG1 ARG 20 15.983 7.059 4.113
189 HD2 ARG 20 HD2 ARG 20 15.103 9.083 5.164
190 HD3 ARG 20 HD1 ARG 20 13.517 8.325 5.293
191 HE ARG 20 HE ARG 20 15.039 6.568 6.597
192 HH11 ARG 20 HH11 ARG 20 14.909 10.061 6.817
193 HH12 ARG 20 HH12 ARG 20 15.356 10.098 8.491
194 HH21 ARG 20 HH21 ARG 20 15.618 6.618 8.804
195 HH22 ARG 20 HH22 ARG 20 15.761 8.141 9.621
196 HA PRO 21 HA PRO 21 11.798 10.296 -0.687
197 HB2 PRO 21 HB2 PRO 21 12.928 12.837 -0.296
198 HB3 PRO 21 HB1 PRO 21 11.264 12.366 0.037
199 HG2 PRO 21 HG2 PRO 21 13.280 13.065 1.911
200 HG3 PRO 21 HG1 PRO 21 11.640 12.499 2.248
201 HD2 PRO 21 HD2 PRO 21 14.186 11.038 2.384
202 HD3 PRO 21 HD1 PRO 21 12.621 10.665 3.129
203 H SER 22 HN SER 22 13.850 8.682 -0.966
204 HA SER 22 HA SER 22 15.701 8.171 -2.153
205 HB2 SER 22 HB2 SER 22 14.461 9.385 -3.945
206 HB3 SER 22 HB1 SER 22 15.293 10.865 -3.476
207 HG SER 22 HG SER 22 16.235 8.639 -4.848
Start of MODEL 14
1 H1 LEU 1 HT1 LEU 1 -16.828 7.579 2.183
2 H2 LEU 1 HT2 LEU 1 -16.057 7.950 0.727
3 H3 LEU 1 HT3 LEU 1 -15.855 8.958 2.066
4 HA LEU 1 HA LEU 1 -13.910 7.597 1.718
5 HB2 LEU 1 HB2 LEU 1 -15.552 6.882 4.146
6 HB3 LEU 1 HB1 LEU 1 -13.847 6.521 3.973
7 HG LEU 1 HG LEU 1 -15.049 9.289 4.028
8 HD11 LEU 1 HD11 LEU 1 -15.137 8.170 6.189
9 HD12 LEU 1 HD12 LEU 1 -13.949 9.473 6.197
10 HD13 LEU 1 HD13 LEU 1 -13.419 7.796 6.073
11 HD21 LEU 1 HD21 LEU 1 -12.174 8.380 3.922
12 HD22 LEU 1 HD22 LEU 1 -12.715 10.042 4.141
13 HD23 LEU 1 HD23 LEU 1 -13.055 9.199 2.632
14 H ARG 2 HN ARG 2 -13.138 5.792 0.858
15 HA ARG 2 HA ARG 2 -14.912 3.441 0.737
16 HB2 ARG 2 HB2 ARG 2 -14.335 4.647 -1.441
17 HB3 ARG 2 HB1 ARG 2 -12.689 4.080 -1.194
18 HG2 ARG 2 HG2 ARG 2 -13.603 2.496 -2.617
19 HG3 ARG 2 HG1 ARG 2 -13.722 1.747 -1.018
20 HD2 ARG 2 HD2 ARG 2 -15.795 1.432 -2.242
21 HD3 ARG 2 HD1 ARG 2 -16.061 2.504 -0.868
22 HE ARG 2 HE ARG 2 -15.525 3.759 -3.442
23 HH11 ARG 2 HH11 ARG 2 -17.891 2.794 -1.046
24 HH12 ARG 2 HH12 ARG 2 -19.117 3.871 -1.634
25 HH21 ARG 2 HH21 ARG 2 -17.142 5.167 -4.228
26 HH22 ARG 2 HH22 ARG 2 -18.693 5.217 -3.453
27 H LEU 3 HN LEU 3 -14.203 1.954 2.158
28 HA LEU 3 HA LEU 3 -11.606 1.949 3.212
29 HB2 LEU 3 HB2 LEU 3 -12.240 -0.431 3.956
30 HB3 LEU 3 HB1 LEU 3 -13.098 0.939 4.641
31 HG LEU 3 HG LEU 3 -14.858 0.450 2.801
32 HD11 LEU 3 HD11 LEU 3 -13.504 -2.236 2.933
33 HD12 LEU 3 HD12 LEU 3 -13.454 -1.145 1.551
34 HD13 LEU 3 HD13 LEU 3 -14.988 -1.841 2.068
35 HD21 LEU 3 HD21 LEU 3 -15.265 0.156 5.153
36 HD22 LEU 3 HD22 LEU 3 -14.421 -1.392 5.131
37 HD23 LEU 3 HD23 LEU 3 -15.939 -1.203 4.254
38 H ILE 4 HN ILE 4 -12.952 0.375 0.440
39 HA ILE 4 HA ILE 4 -10.988 -1.548 0.047
40 HB ILE 4 HB ILE 4 -12.500 0.010 -2.059
41 HG12 ILE 4 HG12 ILE 4 -13.949 -1.240 -0.521
42 HG13 ILE 4 HG11 ILE 4 -13.971 -1.946 -2.128
43 HG21 ILE 4 HG21 ILE 4 -11.952 -1.814 -3.584
44 HG22 ILE 4 HG22 ILE 4 -10.980 -2.581 -2.328
45 HG23 ILE 4 HG23 ILE 4 -10.493 -1.021 -2.992
46 HD11 ILE 4 HD11 ILE 4 -12.425 -3.685 -1.378
47 HD12 ILE 4 HD12 ILE 4 -13.918 -3.669 -0.439
48 HD13 ILE 4 HD13 ILE 4 -12.441 -2.987 0.241
49 H HIS 5 HN HIS 5 -11.046 1.875 -0.855
50 HA HIS 5 HA HIS 5 -8.517 1.815 -2.182
51 HB2 HIS 5 HB2 HIS 5 -10.256 4.048 -1.158
52 HB3 HIS 5 HB1 HIS 5 -8.649 4.366 -1.794
53 HD1 HIS 5 HD1 HIS 5 -8.814 5.177 -4.112
54 HD2 HIS 5 HD2 HIS 5 -11.693 2.298 -3.280
55 HE1 HIS 5 HE1 HIS 5 -10.112 4.882 -6.241
56 HE2 HIS 5 HE2 HIS 5 -11.743 3.024 -5.758
57 H ALA 6 HN ALA 6 -9.587 2.291 1.097
58 HA ALA 6 HA ALA 6 -7.169 3.376 2.114
59 HB1 ALA 6 HB1 ALA 6 -9.349 1.882 3.567
60 HB2 ALA 6 HB2 ALA 6 -9.305 3.622 3.279
61 HB3 ALA 6 HB3 ALA 6 -8.092 2.867 4.313
62 H VAL 7 HN VAL 7 -8.529 0.068 2.181
63 HA VAL 7 HA VAL 7 -6.244 -1.046 3.437
64 HB VAL 7 HB VAL 7 -8.376 -2.185 3.592
65 HG11 VAL 7 HG11 VAL 7 -9.325 -1.616 1.447
66 HG12 VAL 7 HG12 VAL 7 -9.343 -3.368 1.671
67 HG13 VAL 7 HG13 VAL 7 -8.133 -2.625 0.626
68 HG21 VAL 7 HG21 VAL 7 -6.344 -3.822 2.076
69 HG22 VAL 7 HG22 VAL 7 -7.665 -4.470 3.051
70 HG23 VAL 7 HG23 VAL 7 -6.376 -3.544 3.819
71 H ARG 8 HN ARG 8 -7.165 -0.649 0.039
72 HA ARG 8 HA ARG 8 -5.052 -2.106 -1.076
73 HB2 ARG 8 HB2 ARG 8 -6.944 -0.062 -2.013
74 HB3 ARG 8 HB1 ARG 8 -5.418 -0.099 -2.887
75 HG2 ARG 8 HG2 ARG 8 -7.065 -1.493 -3.984
76 HG3 ARG 8 HG1 ARG 8 -5.741 -2.467 -3.351
77 HD2 ARG 8 HD2 ARG 8 -7.112 -3.058 -1.408
78 HD3 ARG 8 HD1 ARG 8 -8.442 -2.108 -2.068
79 HE ARG 8 HE ARG 8 -7.757 -3.905 -4.039
80 HH11 ARG 8 HH11 ARG 8 -8.884 -4.082 -0.729
81 HH12 ARG 8 HH12 ARG 8 -9.677 -5.609 -0.942
82 HH21 ARG 8 HH21 ARG 8 -8.809 -5.915 -4.323
83 HH22 ARG 8 HH22 ARG 8 -9.641 -6.644 -2.985
84 H GLY 9 HN GLY 9 -5.291 1.385 -0.445
85 HA2 GLY 9 HA2 GLY 9 -2.688 2.085 -1.139
86 HA3 GLY 9 HA1 GLY 9 -3.674 2.947 0.032
87 H TYR 10 HN TYR 10 -3.929 0.642 1.783
88 HA TYR 10 HA TYR 10 -1.774 0.995 3.495
89 HB2 TYR 10 HB2 TYR 10 -3.710 0.114 4.468
90 HB3 TYR 10 HB1 TYR 10 -3.876 -1.133 3.240
91 HD1 TYR 10 HD1 TYR 10 -1.390 -0.103 5.847
92 HD2 TYR 10 HD2 TYR 10 -3.435 -3.281 3.895
93 HE1 TYR 10 HE1 TYR 10 -0.283 -1.714 7.329
94 HE2 TYR 10 HE2 TYR 10 -2.325 -4.905 5.373
95 HH TYR 10 HH TYR 10 -0.697 -4.018 8.184
96 H TRP 11 HN TRP 11 -2.381 -1.882 1.414
97 HA TRP 11 HA TRP 11 0.235 -2.862 2.088
98 HB2 TRP 11 HB2 TRP 11 -0.260 -4.767 0.641
99 HB3 TRP 11 HB1 TRP 11 -1.557 -4.460 1.777
100 HD1 TRP 11 HD1 TRP 11 -3.886 -3.602 0.786
101 HE1 TRP 11 HE1 TRP 11 -4.917 -3.855 -1.553
102 HE3 TRP 11 HE3 TRP 11 0.333 -4.791 -1.836
103 HZ2 TRP 11 HZ2 TRP 11 -4.058 -4.474 -4.171
104 HZ3 TRP 11 HZ3 TRP 11 0.143 -5.209 -4.252
105 HH2 TRP 11 HH2 TRP 11 -2.009 -5.053 -5.395
106 H LEU 12 HN LEU 12 -1.181 -1.159 -0.605
107 HA LEU 12 HA LEU 12 0.811 -1.624 -2.512
108 HB2 LEU 12 HB2 LEU 12 -1.047 0.701 -2.083
109 HB3 LEU 12 HB1 LEU 12 0.023 0.582 -3.465
110 HG LEU 12 HG LEU 12 -2.027 -1.518 -2.791
111 HD11 LEU 12 HD11 LEU 12 -3.131 0.635 -3.231
112 HD12 LEU 12 HD12 LEU 12 -3.423 -0.526 -4.523
113 HD13 LEU 12 HD13 LEU 12 -2.250 0.770 -4.752
114 HD21 LEU 12 HD21 LEU 12 -0.208 -2.292 -4.194
115 HD22 LEU 12 HD22 LEU 12 -0.422 -0.919 -5.278
116 HD23 LEU 12 HD23 LEU 12 -1.683 -2.147 -5.151
117 H THR 13 HN THR 13 0.765 0.524 0.233
118 HA THR 13 HA THR 13 3.174 1.888 -0.667
119 HB THR 13 HB THR 13 2.957 3.101 1.546
120 HG1 THR 13 HG1 THR 13 0.309 2.118 1.636
121 HG21 THR 13 HG21 THR 13 1.055 4.464 0.787
122 HG22 THR 13 HG22 THR 13 0.628 3.204 -0.371
123 HG23 THR 13 HG23 THR 13 2.152 4.074 -0.536
124 H ASN 14 HN ASN 14 2.373 -0.863 1.165
125 HA ASN 14 HA ASN 14 4.770 -0.651 2.840
126 HB2 ASN 14 HB2 ASN 14 2.197 -2.091 3.074
127 HB3 ASN 14 HB1 ASN 14 3.605 -2.817 3.844
128 HD21 ASN 14 HD21 ASN 14 1.343 -0.204 3.894
129 HD22 ASN 14 HD22 ASN 14 1.853 0.478 5.403
130 H LYS 15 HN LYS 15 3.405 -2.621 0.286
131 HA LYS 15 HA LYS 15 5.222 -4.801 0.526
132 HB2 LYS 15 HB2 LYS 15 3.787 -3.788 -1.934
133 HB3 LYS 15 HB1 LYS 15 4.563 -5.352 -1.771
134 HG2 LYS 15 HG2 LYS 15 2.192 -4.372 -0.216
135 HG3 LYS 15 HG1 LYS 15 2.162 -5.539 -1.540
136 HD2 LYS 15 HD2 LYS 15 3.638 -7.021 -0.187
137 HD3 LYS 15 HD1 LYS 15 3.477 -5.886 1.152
138 HE2 LYS 15 HE2 LYS 15 1.924 -7.698 1.458
139 HE3 LYS 15 HE1 LYS 15 1.033 -6.223 1.095
140 HZ1 LYS 15 HZ1 LYS 15 1.659 -8.390 -0.835
141 HZ2 LYS 15 HZ2 LYS 15 0.805 -6.976 -1.195
142 HZ3 LYS 15 HZ3 LYS 15 0.152 -8.106 -0.121
143 H VAL 16 HN VAL 16 5.646 -1.660 -0.275
144 HA VAL 16 HA VAL 16 7.617 -1.874 -2.348
145 HB VAL 16 HB VAL 16 7.141 0.541 -0.629
146 HG11 VAL 16 HG11 VAL 16 7.799 0.214 -3.550
147 HG12 VAL 16 HG12 VAL 16 8.924 0.672 -2.274
148 HG13 VAL 16 HG13 VAL 16 7.596 1.748 -2.706
149 HG21 VAL 16 HG21 VAL 16 5.248 1.158 -2.035
150 HG22 VAL 16 HG22 VAL 16 4.933 -0.362 -1.187
151 HG23 VAL 16 HG23 VAL 16 5.378 -0.373 -2.898
152 HA PRO 17 HA PRO 17 10.794 -2.420 0.821
153 HB2 PRO 17 HB2 PRO 17 12.702 -3.389 -0.818
154 HB3 PRO 17 HB1 PRO 17 11.365 -4.392 -0.241
155 HG2 PRO 17 HG2 PRO 17 11.761 -3.099 -2.897
156 HG3 PRO 17 HG1 PRO 17 11.028 -4.665 -2.507
157 HD2 PRO 17 HD2 PRO 17 9.629 -2.332 -3.077
158 HD3 PRO 17 HD1 PRO 17 8.966 -3.742 -2.230
159 H ILE 18 HN ILE 18 11.750 -0.606 1.471
160 HA ILE 18 HA ILE 18 13.194 1.024 -0.506
161 HB ILE 18 HB ILE 18 11.574 2.135 1.798
162 HG12 ILE 18 HG12 ILE 18 10.962 2.136 -1.169
163 HG13 ILE 18 HG11 ILE 18 10.122 1.182 0.048
164 HG21 ILE 18 HG21 ILE 18 12.989 3.505 -0.490
165 HG22 ILE 18 HG22 ILE 18 13.504 3.498 1.195
166 HG23 ILE 18 HG23 ILE 18 12.003 4.302 0.734
167 HD11 ILE 18 HD11 ILE 18 10.169 4.187 -0.113
168 HD12 ILE 18 HD12 ILE 18 9.326 3.231 1.106
169 HD13 ILE 18 HD13 ILE 18 8.834 3.137 -0.585
170 H LYS 19 HN LYS 19 15.049 -0.159 0.232
171 HA LYS 19 HA LYS 19 15.943 0.430 2.947
172 HB2 LYS 19 HB2 LYS 19 17.264 -1.228 0.790
173 HB3 LYS 19 HB1 LYS 19 17.806 -1.090 2.457
174 HG2 LYS 19 HG2 LYS 19 15.209 -2.295 1.522
175 HG3 LYS 19 HG1 LYS 19 16.623 -3.173 2.108
176 HD2 LYS 19 HD2 LYS 19 16.377 -2.103 4.297
177 HD3 LYS 19 HD1 LYS 19 14.964 -1.224 3.710
178 HE2 LYS 19 HE2 LYS 19 13.803 -3.335 3.323
179 HE3 LYS 19 HE1 LYS 19 15.217 -4.223 3.880
180 HZ1 LYS 19 HZ1 LYS 19 13.616 -2.343 5.527
181 HZ2 LYS 19 HZ2 LYS 19 14.955 -3.229 6.058
182 HZ3 LYS 19 HZ3 LYS 19 13.535 -4.030 5.607
183 H ARG 20 HN ARG 20 16.287 1.526 -0.248
184 HA ARG 20 HA ARG 20 18.727 2.998 0.242
185 HB2 ARG 20 HB2 ARG 20 18.597 3.733 -2.000
186 HB3 ARG 20 HB1 ARG 20 18.008 2.080 -2.041
187 HG2 ARG 20 HG2 ARG 20 16.186 4.470 -1.917
188 HG3 ARG 20 HG1 ARG 20 16.740 3.750 -3.429
189 HD2 ARG 20 HD2 ARG 20 15.683 1.662 -2.878
190 HD3 ARG 20 HD1 ARG 20 15.262 2.252 -1.273
191 HE ARG 20 HE ARG 20 13.993 4.031 -2.744
192 HH11 ARG 20 HH11 ARG 20 14.223 0.564 -3.205
193 HH12 ARG 20 HH12 ARG 20 12.640 0.427 -3.904
194 HH21 ARG 20 HH21 ARG 20 11.902 3.837 -3.660
195 HH22 ARG 20 HH22 ARG 20 11.335 2.279 -4.167
196 HA PRO 21 HA PRO 21 16.837 6.653 1.886
197 HB2 PRO 21 HB2 PRO 21 18.580 8.322 0.199
198 HB3 PRO 21 HB1 PRO 21 18.524 8.183 1.957
199 HG2 PRO 21 HG2 PRO 21 20.565 7.183 0.529
200 HG3 PRO 21 HG1 PRO 21 19.970 6.387 1.997
201 HD2 PRO 21 HD2 PRO 21 19.456 5.700 -0.871
202 HD3 PRO 21 HD1 PRO 21 19.784 4.626 0.503
203 H SER 22 HN SER 22 14.775 6.746 1.046
204 HA SER 22 HA SER 22 14.473 8.323 -1.418
205 HB2 SER 22 HB2 SER 22 12.734 6.004 -0.539
206 HB3 SER 22 HB1 SER 22 12.479 6.998 -1.974
207 HG SER 22 HG SER 22 14.982 6.139 -2.025
Start of MODEL 15
1 H1 LEU 1 HT1 LEU 1 -13.546 9.402 2.352
2 H2 LEU 1 HT2 LEU 1 -14.434 8.810 1.044
3 H3 LEU 1 HT3 LEU 1 -12.888 8.211 1.352
4 HA LEU 1 HA LEU 1 -13.618 7.253 3.422
5 HB2 LEU 1 HB2 LEU 1 -16.060 8.769 2.721
6 HB3 LEU 1 HB1 LEU 1 -16.319 7.179 3.409
7 HG LEU 1 HG LEU 1 -14.974 7.838 5.381
8 HD11 LEU 1 HD11 LEU 1 -13.576 9.540 4.337
9 HD12 LEU 1 HD12 LEU 1 -14.426 10.182 5.742
10 HD13 LEU 1 HD13 LEU 1 -14.990 10.573 4.118
11 HD21 LEU 1 HD21 LEU 1 -17.289 9.660 4.748
12 HD22 LEU 1 HD22 LEU 1 -16.653 9.316 6.356
13 HD23 LEU 1 HD23 LEU 1 -17.401 8.030 5.410
14 H ARG 2 HN ARG 2 -12.749 5.655 1.997
15 HA ARG 2 HA ARG 2 -14.800 3.775 1.170
16 HB2 ARG 2 HB2 ARG 2 -14.218 5.155 -0.866
17 HB3 ARG 2 HB1 ARG 2 -12.582 4.523 -0.725
18 HG2 ARG 2 HG2 ARG 2 -13.797 3.272 -2.385
19 HG3 ARG 2 HG1 ARG 2 -13.448 2.244 -0.993
20 HD2 ARG 2 HD2 ARG 2 -15.736 1.924 -1.829
21 HD3 ARG 2 HD1 ARG 2 -15.711 2.532 -0.175
22 HE ARG 2 HE ARG 2 -15.932 4.595 -2.172
23 HH11 ARG 2 HH11 ARG 2 -17.715 2.305 -0.205
24 HH12 ARG 2 HH12 ARG 2 -19.188 3.223 -0.250
25 HH21 ARG 2 HH21 ARG 2 -17.861 5.806 -2.223
26 HH22 ARG 2 HH22 ARG 2 -19.270 5.216 -1.402
27 H LEU 3 HN LEU 3 -14.241 1.882 2.008
28 HA LEU 3 HA LEU 3 -11.802 1.557 3.332
29 HB2 LEU 3 HB2 LEU 3 -12.513 -0.895 3.445
30 HB3 LEU 3 HB1 LEU 3 -13.501 0.302 4.263
31 HG LEU 3 HG LEU 3 -14.900 0.224 2.044
32 HD11 LEU 3 HD11 LEU 3 -14.916 -1.961 0.993
33 HD12 LEU 3 HD12 LEU 3 -13.569 -2.476 2.008
34 HD13 LEU 3 HD13 LEU 3 -13.335 -1.199 0.815
35 HD21 LEU 3 HD21 LEU 3 -15.756 -0.396 4.199
36 HD22 LEU 3 HD22 LEU 3 -14.900 -1.936 4.131
37 HD23 LEU 3 HD23 LEU 3 -16.226 -1.613 3.013
38 H ILE 4 HN ILE 4 -12.778 0.670 0.125
39 HA ILE 4 HA ILE 4 -10.796 -1.202 -0.413
40 HB ILE 4 HB ILE 4 -12.107 0.773 -2.284
41 HG12 ILE 4 HG12 ILE 4 -13.635 -0.836 -1.240
42 HG13 ILE 4 HG11 ILE 4 -13.459 -1.158 -2.959
43 HG21 ILE 4 HG21 ILE 4 -11.327 -0.663 -4.120
44 HG22 ILE 4 HG22 ILE 4 -10.399 -1.619 -2.965
45 HG23 ILE 4 HG23 ILE 4 -9.988 0.074 -3.241
46 HD11 ILE 4 HD11 ILE 4 -11.905 -2.977 -2.459
47 HD12 ILE 4 HD12 ILE 4 -13.477 -3.218 -1.698
48 HD13 ILE 4 HD13 ILE 4 -12.109 -2.665 -0.733
49 H HIS 5 HN HIS 5 -10.749 2.330 -0.714
50 HA HIS 5 HA HIS 5 -8.095 2.493 -1.710
51 HB2 HIS 5 HB2 HIS 5 -9.860 4.519 -0.333
52 HB3 HIS 5 HB1 HIS 5 -8.237 4.898 -0.889
53 HD1 HIS 5 HD1 HIS 5 -8.354 6.152 -2.997
54 HD2 HIS 5 HD2 HIS 5 -11.332 3.264 -2.769
55 HE1 HIS 5 HE1 HIS 5 -9.654 6.349 -5.133
56 HE2 HIS 5 HE2 HIS 5 -11.328 4.474 -5.051
57 H ALA 6 HN ALA 6 -9.492 2.260 1.465
58 HA ALA 6 HA ALA 6 -7.222 3.188 2.908
59 HB1 ALA 6 HB1 ALA 6 -9.509 1.479 3.877
60 HB2 ALA 6 HB2 ALA 6 -9.499 3.241 3.829
61 HB3 ALA 6 HB3 ALA 6 -8.377 2.382 4.882
62 H VAL 7 HN VAL 7 -8.405 -0.046 2.015
63 HA VAL 7 HA VAL 7 -6.188 -1.256 3.440
64 HB VAL 7 HB VAL 7 -8.340 -2.359 3.611
65 HG11 VAL 7 HG11 VAL 7 -9.330 -3.502 1.669
66 HG12 VAL 7 HG12 VAL 7 -8.142 -2.714 0.632
67 HG13 VAL 7 HG13 VAL 7 -9.329 -1.747 1.508
68 HG21 VAL 7 HG21 VAL 7 -6.376 -4.005 2.016
69 HG22 VAL 7 HG22 VAL 7 -7.664 -4.636 3.044
70 HG23 VAL 7 HG23 VAL 7 -6.328 -3.733 3.758
71 H ARG 8 HN ARG 8 -7.194 -0.812 0.051
72 HA ARG 8 HA ARG 8 -5.168 -2.424 -1.072
73 HB2 ARG 8 HB2 ARG 8 -6.976 -0.306 -2.098
74 HB3 ARG 8 HB1 ARG 8 -5.551 -0.675 -3.056
75 HG2 ARG 8 HG2 ARG 8 -7.479 -1.919 -3.832
76 HG3 ARG 8 HG1 ARG 8 -6.244 -3.006 -3.200
77 HD2 ARG 8 HD2 ARG 8 -7.465 -3.321 -1.175
78 HD3 ARG 8 HD1 ARG 8 -8.618 -2.061 -1.607
79 HE ARG 8 HE ARG 8 -8.994 -3.730 -3.617
80 HH11 ARG 8 HH11 ARG 8 -8.584 -4.475 -0.217
81 HH12 ARG 8 HH12 ARG 8 -9.616 -5.867 -0.268
82 HH21 ARG 8 HH21 ARG 8 -10.353 -5.569 -3.676
83 HH22 ARG 8 HH22 ARG 8 -10.613 -6.490 -2.227
84 H GLY 9 HN GLY 9 -5.339 1.122 -0.898
85 HA2 GLY 9 HA2 GLY 9 -2.739 1.676 -1.681
86 HA3 GLY 9 HA1 GLY 9 -3.701 2.705 -0.630
87 H TYR 10 HN TYR 10 -3.962 0.628 1.396
88 HA TYR 10 HA TYR 10 -1.813 1.188 3.057
89 HB2 TYR 10 HB2 TYR 10 -3.810 0.432 4.063
90 HB3 TYR 10 HB1 TYR 10 -3.882 -1.001 3.047
91 HD1 TYR 10 HD1 TYR 10 -3.376 -3.002 4.025
92 HD2 TYR 10 HD2 TYR 10 -1.592 0.534 5.584
93 HE1 TYR 10 HE1 TYR 10 -2.287 -4.332 5.790
94 HE2 TYR 10 HE2 TYR 10 -0.508 -0.783 7.352
95 HH TYR 10 HH TYR 10 -0.756 -2.898 8.499
96 H TRP 11 HN TRP 11 -2.436 -2.025 1.544
97 HA TRP 11 HA TRP 11 0.153 -2.898 2.319
98 HB2 TRP 11 HB2 TRP 11 -0.319 -4.959 1.119
99 HB3 TRP 11 HB1 TRP 11 -1.689 -4.479 2.098
100 HD1 TRP 11 HD1 TRP 11 -3.940 -3.819 0.842
101 HE1 TRP 11 HE1 TRP 11 -4.780 -4.321 -1.535
102 HE3 TRP 11 HE3 TRP 11 0.486 -5.177 -1.311
103 HZ2 TRP 11 HZ2 TRP 11 -3.710 -5.181 -4.001
104 HZ3 TRP 11 HZ3 TRP 11 0.492 -5.837 -3.680
105 HH2 TRP 11 HH2 TRP 11 -1.563 -5.838 -4.999
106 H LEU 12 HN LEU 12 -1.095 -1.409 -0.548
107 HA LEU 12 HA LEU 12 0.988 -2.021 -2.319
108 HB2 LEU 12 HB2 LEU 12 -0.836 0.368 -2.137
109 HB3 LEU 12 HB1 LEU 12 0.262 0.090 -3.472
110 HG LEU 12 HG LEU 12 -1.927 -1.829 -2.671
111 HD11 LEU 12 HD11 LEU 12 -2.903 0.275 -3.428
112 HD12 LEU 12 HD12 LEU 12 -3.127 -0.982 -4.645
113 HD13 LEU 12 HD13 LEU 12 -1.884 0.249 -4.867
114 HD21 LEU 12 HD21 LEU 12 -1.498 -2.775 -4.901
115 HD22 LEU 12 HD22 LEU 12 -0.084 -2.875 -3.853
116 HD23 LEU 12 HD23 LEU 12 -0.162 -1.645 -5.114
117 H THR 13 HN THR 13 0.577 0.760 -0.127
118 HA THR 13 HA THR 13 3.100 1.904 -0.898
119 HB THR 13 HB THR 13 2.666 3.515 0.968
120 HG1 THR 13 HG1 THR 13 0.152 2.181 1.186
121 HG21 THR 13 HG21 THR 13 1.878 3.968 -1.306
122 HG22 THR 13 HG22 THR 13 0.754 4.600 -0.104
123 HG23 THR 13 HG23 THR 13 0.380 3.106 -0.961
124 H ASN 14 HN ASN 14 2.250 -0.602 1.119
125 HA ASN 14 HA ASN 14 4.282 -0.115 3.138
126 HB2 ASN 14 HB2 ASN 14 2.116 -2.104 2.733
127 HB3 ASN 14 HB1 ASN 14 3.432 -2.503 3.834
128 HD21 ASN 14 HD21 ASN 14 2.266 0.748 3.345
129 HD22 ASN 14 HD22 ASN 14 1.547 0.938 4.903
130 H LYS 15 HN LYS 15 3.760 -2.196 0.346
131 HA LYS 15 HA LYS 15 5.944 -3.933 0.714
132 HB2 LYS 15 HB2 LYS 15 4.880 -2.882 -1.917
133 HB3 LYS 15 HB1 LYS 15 5.827 -4.345 -1.683
134 HG2 LYS 15 HG2 LYS 15 3.049 -3.838 -0.657
135 HG3 LYS 15 HG1 LYS 15 3.492 -4.874 -2.016
136 HD2 LYS 15 HD2 LYS 15 4.812 -6.279 -0.465
137 HD3 LYS 15 HD1 LYS 15 4.259 -5.274 0.876
138 HE2 LYS 15 HE2 LYS 15 2.928 -7.301 0.721
139 HE3 LYS 15 HE1 LYS 15 1.941 -5.883 0.368
140 HZ1 LYS 15 HZ1 LYS 15 2.200 -6.354 -1.997
141 HZ2 LYS 15 HZ2 LYS 15 1.492 -7.658 -1.189
142 HZ3 LYS 15 HZ3 LYS 15 3.118 -7.728 -1.639
143 H VAL 16 HN VAL 16 5.639 -0.718 -0.427
144 HA VAL 16 HA VAL 16 8.150 -0.255 -1.574
145 HB VAL 16 HB VAL 16 6.712 1.834 0.023
146 HG11 VAL 16 HG11 VAL 16 8.085 1.884 -2.657
147 HG12 VAL 16 HG12 VAL 16 8.740 2.481 -1.133
148 HG13 VAL 16 HG13 VAL 16 7.341 3.270 -1.860
149 HG21 VAL 16 HG21 VAL 16 5.743 0.674 -2.586
150 HG22 VAL 16 HG22 VAL 16 5.150 2.173 -1.869
151 HG23 VAL 16 HG23 VAL 16 4.904 0.634 -1.028
152 HA PRO 17 HA PRO 17 10.701 -0.684 2.059
153 HB2 PRO 17 HB2 PRO 17 12.571 1.111 0.693
154 HB3 PRO 17 HB1 PRO 17 12.818 -0.540 1.255
155 HG2 PRO 17 HG2 PRO 17 12.591 0.053 -1.363
156 HG3 PRO 17 HG1 PRO 17 12.003 -1.472 -0.680
157 HD2 PRO 17 HD2 PRO 17 10.477 0.944 -1.522
158 HD3 PRO 17 HD1 PRO 17 10.028 -0.770 -1.618
159 H ILE 18 HN ILE 18 10.281 0.390 3.822
160 HA ILE 18 HA ILE 18 10.238 3.326 3.758
161 HB ILE 18 HB ILE 18 8.809 1.510 5.715
162 HG12 ILE 18 HG12 ILE 18 7.728 3.173 3.425
163 HG13 ILE 18 HG11 ILE 18 7.827 1.417 3.457
164 HG21 ILE 18 HG21 ILE 18 8.711 4.504 5.357
165 HG22 ILE 18 HG22 ILE 18 9.445 3.641 6.706
166 HG23 ILE 18 HG23 ILE 18 7.701 3.571 6.461
167 HD11 ILE 18 HD11 ILE 18 5.566 2.239 3.894
168 HD12 ILE 18 HD12 ILE 18 6.161 3.097 5.316
169 HD13 ILE 18 HD13 ILE 18 6.216 1.336 5.261
170 H LYS 19 HN LYS 19 12.393 3.576 4.104
171 HA LYS 19 HA LYS 19 13.699 2.287 6.355
172 HB2 LYS 19 HB2 LYS 19 14.790 4.307 4.383
173 HB3 LYS 19 HB1 LYS 19 15.731 3.316 5.492
174 HG2 LYS 19 HG2 LYS 19 15.092 1.314 4.320
175 HG3 LYS 19 HG1 LYS 19 14.012 2.232 3.269
176 HD2 LYS 19 HD2 LYS 19 15.991 3.496 2.448
177 HD3 LYS 19 HD1 LYS 19 17.020 2.433 3.411
178 HE2 LYS 19 HE2 LYS 19 15.149 1.538 1.219
179 HE3 LYS 19 HE1 LYS 19 16.893 1.732 1.055
180 HZ1 LYS 19 HZ1 LYS 19 16.254 -0.576 1.452
181 HZ2 LYS 19 HZ2 LYS 19 15.555 -0.141 2.926
182 HZ3 LYS 19 HZ3 LYS 19 17.221 0.021 2.704
183 H ARG 20 HN ARG 20 12.201 5.257 5.537
184 HA ARG 20 HA ARG 20 13.384 6.728 7.743
185 HB2 ARG 20 HB2 ARG 20 11.139 7.515 5.878
186 HB3 ARG 20 HB1 ARG 20 12.019 8.587 6.952
187 HG2 ARG 20 HG2 ARG 20 14.046 8.275 5.689
188 HG3 ARG 20 HG1 ARG 20 13.256 7.082 4.658
189 HD2 ARG 20 HD2 ARG 20 11.678 8.831 3.913
190 HD3 ARG 20 HD1 ARG 20 12.568 10.008 4.876
191 HE ARG 20 HE ARG 20 14.444 8.834 3.246
192 HH11 ARG 20 HH11 ARG 20 11.468 10.605 2.770
193 HH12 ARG 20 HH12 ARG 20 11.961 11.274 1.249
194 HH21 ARG 20 HH21 ARG 20 15.093 9.712 1.238
195 HH22 ARG 20 HH22 ARG 20 14.018 10.771 0.379
196 HA PRO 21 HA PRO 21 10.321 5.590 10.652
197 HB2 PRO 21 HB2 PRO 21 10.248 7.759 12.275
198 HB3 PRO 21 HB1 PRO 21 11.606 6.633 12.233
199 HG2 PRO 21 HG2 PRO 21 11.345 9.333 11.004
200 HG3 PRO 21 HG1 PRO 21 12.762 8.563 11.736
201 HD2 PRO 21 HD2 PRO 21 12.308 8.755 9.025
202 HD3 PRO 21 HD1 PRO 21 13.352 7.542 9.781
203 H SER 22 HN SER 22 8.274 5.381 9.979
204 HA SER 22 HA SER 22 6.540 7.710 10.088
205 HB2 SER 22 HB2 SER 22 6.679 5.947 7.627
206 HB3 SER 22 HB1 SER 22 5.531 7.258 7.895
207 HG SER 22 HG SER 22 8.030 8.157 8.285
Start of MODEL 16
1 H1 LEU 1 HT1 LEU 1 -10.484 10.004 1.200
2 H2 LEU 1 HT2 LEU 1 -11.540 9.504 2.423
3 H3 LEU 1 HT3 LEU 1 -12.026 9.434 0.807
4 HA LEU 1 HA LEU 1 -10.409 7.755 0.326
5 HB2 LEU 1 HB2 LEU 1 -8.735 8.540 1.957
6 HB3 LEU 1 HB1 LEU 1 -9.744 7.950 3.262
7 HG LEU 1 HG LEU 1 -9.468 5.646 2.410
8 HD11 LEU 1 HD11 LEU 1 -9.081 6.152 0.064
9 HD12 LEU 1 HD12 LEU 1 -7.755 5.198 0.722
10 HD13 LEU 1 HD13 LEU 1 -7.553 6.931 0.468
11 HD21 LEU 1 HD21 LEU 1 -6.907 7.140 2.937
12 HD22 LEU 1 HD22 LEU 1 -7.126 5.396 3.080
13 HD23 LEU 1 HD23 LEU 1 -8.001 6.487 4.154
14 H ARG 2 HN ARG 2 -11.368 5.816 0.144
15 HA ARG 2 HA ARG 2 -13.535 5.186 2.035
16 HB2 ARG 2 HB2 ARG 2 -13.932 5.519 -0.512
17 HB3 ARG 2 HB1 ARG 2 -13.192 3.934 -0.669
18 HG2 ARG 2 HG2 ARG 2 -15.565 3.680 -0.676
19 HG3 ARG 2 HG1 ARG 2 -14.932 3.019 0.828
20 HD2 ARG 2 HD2 ARG 2 -15.611 4.999 2.031
21 HD3 ARG 2 HD1 ARG 2 -16.126 5.770 0.532
22 HE ARG 2 HE ARG 2 -17.488 3.322 0.849
23 HH11 ARG 2 HH11 ARG 2 -17.365 6.537 2.236
24 HH12 ARG 2 HH12 ARG 2 -19.038 6.547 2.688
25 HH21 ARG 2 HH21 ARG 2 -19.702 3.335 1.435
26 HH22 ARG 2 HH22 ARG 2 -20.365 4.718 2.248
27 H LEU 3 HN LEU 3 -13.916 2.769 2.256
28 HA LEU 3 HA LEU 3 -11.873 1.638 3.650
29 HB2 LEU 3 HB2 LEU 3 -14.384 1.084 3.489
30 HB3 LEU 3 HB1 LEU 3 -13.844 -0.015 2.251
31 HG LEU 3 HG LEU 3 -12.776 -0.136 5.051
32 HD11 LEU 3 HD11 LEU 3 -15.200 -0.432 5.104
33 HD12 LEU 3 HD12 LEU 3 -14.359 -1.942 5.452
34 HD13 LEU 3 HD13 LEU 3 -15.075 -1.678 3.862
35 HD21 LEU 3 HD21 LEU 3 -12.843 -2.149 2.805
36 HD22 LEU 3 HD22 LEU 3 -12.176 -2.417 4.417
37 HD23 LEU 3 HD23 LEU 3 -11.429 -1.240 3.336
38 H ILE 4 HN ILE 4 -12.959 0.483 0.488
39 HA ILE 4 HA ILE 4 -10.955 -1.425 0.171
40 HB ILE 4 HB ILE 4 -12.591 0.027 -1.903
41 HG12 ILE 4 HG12 ILE 4 -13.854 -1.388 -0.353
42 HG13 ILE 4 HG11 ILE 4 -13.856 -2.080 -1.968
43 HG21 ILE 4 HG21 ILE 4 -10.801 -2.366 -2.298
44 HG22 ILE 4 HG22 ILE 4 -10.555 -0.756 -2.972
45 HG23 ILE 4 HG23 ILE 4 -11.933 -1.726 -3.487
46 HD11 ILE 4 HD11 ILE 4 -13.566 -3.813 -0.330
47 HD12 ILE 4 HD12 ILE 4 -12.179 -2.975 0.360
48 HD13 ILE 4 HD13 ILE 4 -12.086 -3.640 -1.271
49 H HIS 5 HN HIS 5 -10.997 1.985 -0.679
50 HA HIS 5 HA HIS 5 -8.500 1.900 -2.071
51 HB2 HIS 5 HB2 HIS 5 -10.180 4.150 -0.984
52 HB3 HIS 5 HB1 HIS 5 -8.593 4.441 -1.686
53 HD1 HIS 5 HD1 HIS 5 -8.793 5.182 -4.017
54 HD2 HIS 5 HD2 HIS 5 -11.762 2.455 -3.019
55 HE1 HIS 5 HE1 HIS 5 -10.181 4.907 -6.089
56 HE2 HIS 5 HE2 HIS 5 -12.022 3.320 -5.440
57 H ALA 6 HN ALA 6 -9.456 2.089 1.243
58 HA ALA 6 HA ALA 6 -6.980 3.248 2.165
59 HB1 ALA 6 HB1 ALA 6 -9.148 1.832 3.713
60 HB2 ALA 6 HB2 ALA 6 -9.051 3.568 3.421
61 HB3 ALA 6 HB3 ALA 6 -7.824 2.770 4.405
62 H VAL 7 HN VAL 7 -8.422 0.002 2.165
63 HA VAL 7 HA VAL 7 -6.160 -1.223 3.369
64 HB VAL 7 HB VAL 7 -8.270 -2.331 3.586
65 HG11 VAL 7 HG11 VAL 7 -8.289 -2.541 0.585
66 HG12 VAL 7 HG12 VAL 7 -9.377 -1.577 1.587
67 HG13 VAL 7 HG13 VAL 7 -9.431 -3.340 1.665
68 HG21 VAL 7 HG21 VAL 7 -6.446 -3.933 1.793
69 HG22 VAL 7 HG22 VAL 7 -7.712 -4.598 2.826
70 HG23 VAL 7 HG23 VAL 7 -6.324 -3.783 3.547
71 H ARG 8 HN ARG 8 -7.162 -0.747 -0.001
72 HA ARG 8 HA ARG 8 -5.090 -2.251 -1.164
73 HB2 ARG 8 HB2 ARG 8 -6.962 -0.161 -2.094
74 HB3 ARG 8 HB1 ARG 8 -5.490 -0.350 -3.036
75 HG2 ARG 8 HG2 ARG 8 -7.300 -1.671 -3.968
76 HG3 ARG 8 HG1 ARG 8 -6.000 -2.704 -3.377
77 HD2 ARG 8 HD2 ARG 8 -7.250 -3.235 -1.394
78 HD3 ARG 8 HD1 ARG 8 -8.508 -2.081 -1.831
79 HE ARG 8 HE ARG 8 -8.395 -3.810 -3.945
80 HH11 ARG 8 HH11 ARG 8 -8.861 -4.196 -0.500
81 HH12 ARG 8 HH12 ARG 8 -9.914 -5.562 -0.659
82 HH21 ARG 8 HH21 ARG 8 -9.787 -5.605 -4.163
83 HH22 ARG 8 HH22 ARG 8 -10.449 -6.356 -2.746
84 H GLY 9 HN GLY 9 -5.316 1.258 -0.618
85 HA2 GLY 9 HA2 GLY 9 -2.721 1.925 -1.381
86 HA3 GLY 9 HA1 GLY 9 -3.691 2.831 -0.231
87 H TYR 10 HN TYR 10 -3.939 0.632 1.620
88 HA TYR 10 HA TYR 10 -1.796 1.002 3.318
89 HB2 TYR 10 HB2 TYR 10 -3.733 0.125 4.279
90 HB3 TYR 10 HB1 TYR 10 -3.886 -1.132 3.064
91 HD1 TYR 10 HD1 TYR 10 -1.409 -0.102 5.692
92 HD2 TYR 10 HD2 TYR 10 -3.511 -3.264 3.769
93 HE1 TYR 10 HE1 TYR 10 -0.374 -1.720 7.231
94 HE2 TYR 10 HE2 TYR 10 -2.477 -4.887 5.298
95 HH TYR 10 HH TYR 10 -0.582 -5.123 6.729
96 H TRP 11 HN TRP 11 -2.346 -1.936 1.298
97 HA TRP 11 HA TRP 11 0.271 -2.865 2.015
98 HB2 TRP 11 HB2 TRP 11 -0.185 -4.810 0.618
99 HB3 TRP 11 HB1 TRP 11 -1.523 -4.475 1.696
100 HD1 TRP 11 HD1 TRP 11 -3.833 -3.761 0.626
101 HE1 TRP 11 HE1 TRP 11 -4.782 -4.039 -1.745
102 HE3 TRP 11 HE3 TRP 11 0.515 -4.754 -1.863
103 HZ2 TRP 11 HZ2 TRP 11 -3.809 -4.605 -4.341
104 HZ3 TRP 11 HZ3 TRP 11 0.421 -5.161 -4.287
105 HH2 TRP 11 HH2 TRP 11 -1.696 -5.088 -5.500
106 H LEU 12 HN LEU 12 -1.102 -1.153 -0.676
107 HA LEU 12 HA LEU 12 0.940 -1.578 -2.549
108 HB2 LEU 12 HB2 LEU 12 -0.950 0.729 -2.145
109 HB3 LEU 12 HB1 LEU 12 0.136 0.604 -3.513
110 HG LEU 12 HG LEU 12 -1.937 -1.485 -2.857
111 HD11 LEU 12 HD11 LEU 12 -2.099 0.805 -4.825
112 HD12 LEU 12 HD12 LEU 12 -3.029 0.658 -3.334
113 HD13 LEU 12 HD13 LEU 12 -3.279 -0.492 -4.648
114 HD21 LEU 12 HD21 LEU 12 -1.545 -2.196 -5.155
115 HD22 LEU 12 HD22 LEU 12 -0.047 -2.233 -4.227
116 HD23 LEU 12 HD23 LEU 12 -0.348 -0.917 -5.361
117 H THR 13 HN THR 13 0.755 0.582 0.196
118 HA THR 13 HA THR 13 3.219 1.921 -0.600
119 HB THR 13 HB THR 13 2.871 3.186 1.575
120 HG1 THR 13 HG1 THR 13 0.232 2.133 1.452
121 HG21 THR 13 HG21 THR 13 0.682 3.289 -0.502
122 HG22 THR 13 HG22 THR 13 2.240 4.109 -0.599
123 HG23 THR 13 HG23 THR 13 1.076 4.574 0.642
124 H ASN 14 HN ASN 14 2.274 -0.765 1.254
125 HA ASN 14 HA ASN 14 4.506 -0.492 3.130
126 HB2 ASN 14 HB2 ASN 14 1.896 -1.855 3.187
127 HB3 ASN 14 HB1 ASN 14 3.205 -2.624 4.077
128 HD21 ASN 14 HD21 ASN 14 1.117 0.136 3.862
129 HD22 ASN 14 HD22 ASN 14 1.498 0.795 5.419
130 H LYS 15 HN LYS 15 3.294 -2.704 0.650
131 HA LYS 15 HA LYS 15 5.094 -4.830 1.323
132 HB2 LYS 15 HB2 LYS 15 3.595 -4.290 -1.244
133 HB3 LYS 15 HB1 LYS 15 4.416 -5.789 -0.839
134 HG2 LYS 15 HG2 LYS 15 2.052 -4.590 0.566
135 HG3 LYS 15 HG1 LYS 15 2.051 -6.029 -0.461
136 HD2 LYS 15 HD2 LYS 15 3.604 -7.115 1.141
137 HD3 LYS 15 HD1 LYS 15 3.466 -5.700 2.185
138 HE2 LYS 15 HE2 LYS 15 1.035 -6.098 2.341
139 HE3 LYS 15 HE1 LYS 15 1.234 -7.555 1.372
140 HZ1 LYS 15 HZ1 LYS 15 2.731 -8.413 3.099
141 HZ2 LYS 15 HZ2 LYS 15 1.172 -8.125 3.687
142 HZ3 LYS 15 HZ3 LYS 15 2.423 -7.042 4.043
143 H VAL 16 HN VAL 16 5.627 -1.907 0.135
144 HA VAL 16 HA VAL 16 7.675 -2.549 -1.817
145 HB VAL 16 HB VAL 16 7.089 0.204 -0.803
146 HG11 VAL 16 HG11 VAL 16 7.771 -0.871 -3.536
147 HG12 VAL 16 HG12 VAL 16 8.887 -0.092 -2.417
148 HG13 VAL 16 HG13 VAL 16 7.557 0.829 -3.119
149 HG21 VAL 16 HG21 VAL 16 4.898 -0.872 -1.117
150 HG22 VAL 16 HG22 VAL 16 5.356 -1.278 -2.777
151 HG23 VAL 16 HG23 VAL 16 5.190 0.411 -2.300
152 HA PRO 17 HA PRO 17 10.629 -2.379 1.612
153 HB2 PRO 17 HB2 PRO 17 12.636 -2.918 -0.424
154 HB3 PRO 17 HB1 PRO 17 12.164 -3.909 0.954
155 HG2 PRO 17 HG2 PRO 17 11.606 -4.597 -1.613
156 HG3 PRO 17 HG1 PRO 17 10.586 -5.062 -0.241
157 HD2 PRO 17 HD2 PRO 17 10.183 -2.893 -2.258
158 HD3 PRO 17 HD1 PRO 17 8.991 -3.973 -1.502
159 H ILE 18 HN ILE 18 11.307 -0.465 2.282
160 HA ILE 18 HA ILE 18 12.423 1.416 0.320
161 HB ILE 18 HB ILE 18 10.796 2.158 2.761
162 HG12 ILE 18 HG12 ILE 18 10.024 2.244 -0.167
163 HG13 ILE 18 HG11 ILE 18 9.419 1.079 1.006
164 HG21 ILE 18 HG21 ILE 18 10.827 4.415 1.794
165 HG22 ILE 18 HG22 ILE 18 11.870 3.836 0.497
166 HG23 ILE 18 HG23 ILE 18 12.452 3.836 2.161
167 HD11 ILE 18 HD11 ILE 18 7.797 2.830 0.599
168 HD12 ILE 18 HD12 ILE 18 8.973 4.055 1.074
169 HD13 ILE 18 HD13 ILE 18 8.376 2.897 2.262
170 H LYS 19 HN LYS 19 14.542 0.964 0.739
171 HA LYS 19 HA LYS 19 15.553 0.925 3.444
172 HB2 LYS 19 HB2 LYS 19 17.755 0.590 2.369
173 HB3 LYS 19 HB1 LYS 19 16.553 -0.574 1.832
174 HG2 LYS 19 HG2 LYS 19 16.232 0.707 -0.228
175 HG3 LYS 19 HG1 LYS 19 17.446 1.869 0.314
176 HD2 LYS 19 HD2 LYS 19 19.135 0.111 0.336
177 HD3 LYS 19 HD1 LYS 19 17.925 -1.071 -0.166
178 HE2 LYS 19 HE2 LYS 19 17.578 0.185 -2.246
179 HE3 LYS 19 HE1 LYS 19 18.814 1.337 -1.744
180 HZ1 LYS 19 HZ1 LYS 19 20.447 -0.415 -1.788
181 HZ2 LYS 19 HZ2 LYS 19 19.670 -0.332 -3.285
182 HZ3 LYS 19 HZ3 LYS 19 19.270 -1.559 -2.195
183 H ARG 20 HN ARG 20 15.047 3.228 0.975
184 HA ARG 20 HA ARG 20 16.940 5.162 1.987
185 HB2 ARG 20 HB2 ARG 20 14.657 5.450 0.029
186 HB3 ARG 20 HB1 ARG 20 15.825 6.706 0.391
187 HG2 ARG 20 HG2 ARG 20 17.615 5.288 -0.482
188 HG3 ARG 20 HG1 ARG 20 16.426 4.041 -0.868
189 HD2 ARG 20 HD2 ARG 20 15.290 5.583 -2.379
190 HD3 ARG 20 HD1 ARG 20 16.454 6.843 -1.978
191 HE ARG 20 HE ARG 20 17.887 4.644 -2.904
192 HH11 ARG 20 HH11 ARG 20 15.556 6.948 -4.125
193 HH12 ARG 20 HH12 ARG 20 16.140 6.871 -5.756
194 HH21 ARG 20 HH21 ARG 20 18.653 4.537 -5.061
195 HH22 ARG 20 HH22 ARG 20 17.909 5.516 -6.285
196 HA PRO 21 HA PRO 21 14.199 6.923 4.974
197 HB2 PRO 21 HB2 PRO 21 15.181 9.430 5.166
198 HB3 PRO 21 HB1 PRO 21 16.054 8.022 5.775
199 HG2 PRO 21 HG2 PRO 21 16.498 9.604 3.295
200 HG3 PRO 21 HG1 PRO 21 17.674 8.796 4.341
201 HD2 PRO 21 HD2 PRO 21 16.715 7.822 1.919
202 HD3 PRO 21 HD1 PRO 21 17.524 6.858 3.164
203 H SER 22 HN SER 22 12.287 6.814 3.698
204 HA SER 22 HA SER 22 11.592 9.158 2.116
205 HB2 SER 22 HB2 SER 22 11.114 6.780 1.346
206 HB3 SER 22 HB1 SER 22 9.897 6.701 2.618
207 HG SER 22 HG SER 22 8.768 8.355 1.613
Start of MODEL 17
1 H1 LEU 1 HT1 LEU 1 -13.459 8.026 2.727
2 H2 LEU 1 HT2 LEU 1 -12.305 6.968 2.093
3 H3 LEU 1 HT3 LEU 1 -13.519 6.380 3.111
4 HA LEU 1 HA LEU 1 -15.199 6.976 1.483
5 HB2 LEU 1 HB2 LEU 1 -12.793 7.643 -0.215
6 HB3 LEU 1 HB1 LEU 1 -14.442 7.542 -0.802
7 HG LEU 1 HG LEU 1 -13.387 9.551 1.190
8 HD11 LEU 1 HD11 LEU 1 -13.813 11.169 -0.582
9 HD12 LEU 1 HD12 LEU 1 -14.313 9.865 -1.660
10 HD13 LEU 1 HD13 LEU 1 -12.644 9.952 -1.096
11 HD21 LEU 1 HD21 LEU 1 -16.146 9.194 0.026
12 HD22 LEU 1 HD22 LEU 1 -15.612 10.590 0.960
13 HD23 LEU 1 HD23 LEU 1 -15.679 8.999 1.716
14 H ARG 2 HN ARG 2 -15.386 4.788 2.032
15 HA ARG 2 HA ARG 2 -15.528 2.571 1.567
16 HB2 ARG 2 HB2 ARG 2 -15.677 3.397 -0.835
17 HB3 ARG 2 HB1 ARG 2 -13.958 3.051 -0.947
18 HG2 ARG 2 HG2 ARG 2 -15.223 1.219 -1.867
19 HG3 ARG 2 HG1 ARG 2 -14.401 0.709 -0.388
20 HD2 ARG 2 HD2 ARG 2 -16.751 -0.098 -0.581
21 HD3 ARG 2 HD1 ARG 2 -16.429 0.848 0.870
22 HE ARG 2 HE ARG 2 -17.460 2.398 -1.327
23 HH11 ARG 2 HH11 ARG 2 -18.308 0.405 1.422
24 HH12 ARG 2 HH12 ARG 2 -19.872 1.124 1.626
25 HH21 ARG 2 HH21 ARG 2 -19.513 3.366 -1.050
26 HH22 ARG 2 HH22 ARG 2 -20.554 2.810 0.223
27 H LEU 3 HN LEU 3 -14.396 1.106 2.608
28 HA LEU 3 HA LEU 3 -11.782 1.569 3.430
29 HB2 LEU 3 HB2 LEU 3 -11.804 -0.850 4.137
30 HB3 LEU 3 HB1 LEU 3 -13.049 0.179 4.833
31 HG LEU 3 HG LEU 3 -14.484 -0.793 2.839
32 HD11 LEU 3 HD11 LEU 3 -12.418 -2.951 3.257
33 HD12 LEU 3 HD12 LEU 3 -12.613 -1.985 1.795
34 HD13 LEU 3 HD13 LEU 3 -13.892 -3.084 2.299
35 HD21 LEU 3 HD21 LEU 3 -13.759 -2.308 5.332
36 HD22 LEU 3 HD22 LEU 3 -15.174 -2.633 4.328
37 HD23 LEU 3 HD23 LEU 3 -15.020 -1.088 5.164
38 H ILE 4 HN ILE 4 -12.983 -0.020 0.643
39 HA ILE 4 HA ILE 4 -10.854 -1.646 -0.002
40 HB ILE 4 HB ILE 4 -12.625 -0.082 -1.893
41 HG12 ILE 4 HG12 ILE 4 -13.856 -1.583 -0.380
42 HG13 ILE 4 HG11 ILE 4 -13.935 -2.132 -2.047
43 HG21 ILE 4 HG21 ILE 4 -12.018 -1.731 -3.589
44 HG22 ILE 4 HG22 ILE 4 -10.892 -2.482 -2.460
45 HG23 ILE 4 HG23 ILE 4 -10.607 -0.837 -3.025
46 HD11 ILE 4 HD11 ILE 4 -13.626 -3.997 -0.550
47 HD12 ILE 4 HD12 ILE 4 -12.167 -3.257 0.108
48 HD13 ILE 4 HD13 ILE 4 -12.203 -3.794 -1.572
49 H HIS 5 HN HIS 5 -11.328 1.800 -0.586
50 HA HIS 5 HA HIS 5 -8.978 2.168 -2.150
51 HB2 HIS 5 HB2 HIS 5 -10.722 4.106 -0.625
52 HB3 HIS 5 HB1 HIS 5 -9.329 4.614 -1.568
53 HD1 HIS 5 HD1 HIS 5 -10.104 5.579 -3.688
54 HD2 HIS 5 HD2 HIS 5 -12.424 2.324 -2.551
55 HE1 HIS 5 HE1 HIS 5 -11.800 5.289 -5.514
56 HE2 HIS 5 HE2 HIS 5 -13.094 3.223 -4.881
57 H ALA 6 HN ALA 6 -9.739 2.320 1.250
58 HA ALA 6 HA ALA 6 -7.324 3.537 2.105
59 HB1 ALA 6 HB1 ALA 6 -9.255 1.821 3.663
60 HB2 ALA 6 HB2 ALA 6 -9.380 3.566 3.443
61 HB3 ALA 6 HB3 ALA 6 -8.025 2.886 4.343
62 H VAL 7 HN VAL 7 -8.458 0.152 2.115
63 HA VAL 7 HA VAL 7 -6.084 -0.835 3.299
64 HB VAL 7 HB VAL 7 -8.167 -2.059 3.503
65 HG11 VAL 7 HG11 VAL 7 -9.071 -3.342 1.604
66 HG12 VAL 7 HG12 VAL 7 -7.936 -2.515 0.537
67 HG13 VAL 7 HG13 VAL 7 -9.186 -1.596 1.379
68 HG21 VAL 7 HG21 VAL 7 -6.101 -3.307 3.736
69 HG22 VAL 7 HG22 VAL 7 -6.071 -3.621 2.001
70 HG23 VAL 7 HG23 VAL 7 -7.348 -4.311 3.001
71 H ARG 8 HN ARG 8 -7.099 -0.460 -0.067
72 HA ARG 8 HA ARG 8 -5.068 -1.903 -1.295
73 HB2 ARG 8 HB2 ARG 8 -6.925 0.220 -2.076
74 HB3 ARG 8 HB1 ARG 8 -5.418 0.230 -2.981
75 HG2 ARG 8 HG2 ARG 8 -7.102 -1.083 -4.125
76 HG3 ARG 8 HG1 ARG 8 -5.761 -2.094 -3.595
77 HD2 ARG 8 HD2 ARG 8 -7.052 -2.881 -1.706
78 HD3 ARG 8 HD1 ARG 8 -8.387 -1.815 -2.148
79 HE ARG 8 HE ARG 8 -7.839 -3.427 -4.350
80 HH11 ARG 8 HH11 ARG 8 -8.983 -3.820 -1.064
81 HH12 ARG 8 HH12 ARG 8 -9.966 -5.198 -1.436
82 HH21 ARG 8 HH21 ARG 8 -9.117 -5.250 -4.834
83 HH22 ARG 8 HH22 ARG 8 -10.026 -6.028 -3.573
84 H GLY 9 HN GLY 9 -5.127 1.611 -0.738
85 HA2 GLY 9 HA2 GLY 9 -2.473 2.105 -1.441
86 HA3 GLY 9 HA1 GLY 9 -3.431 3.116 -0.370
87 H TYR 10 HN TYR 10 -3.818 0.826 1.475
88 HA TYR 10 HA TYR 10 -1.696 1.288 3.241
89 HB2 TYR 10 HB2 TYR 10 -3.747 0.614 4.185
90 HB3 TYR 10 HB1 TYR 10 -3.875 -0.784 3.126
91 HD1 TYR 10 HD1 TYR 10 -3.258 -2.871 3.904
92 HD2 TYR 10 HD2 TYR 10 -1.771 0.589 5.884
93 HE1 TYR 10 HE1 TYR 10 -2.264 -4.298 5.641
94 HE2 TYR 10 HE2 TYR 10 -0.773 -0.827 7.628
95 HH TYR 10 HH TYR 10 -0.455 -4.194 7.298
96 H TRP 11 HN TRP 11 -2.419 -1.715 1.377
97 HA TRP 11 HA TRP 11 0.115 -2.790 2.205
98 HB2 TRP 11 HB2 TRP 11 -0.454 -4.785 0.947
99 HB3 TRP 11 HB1 TRP 11 -1.805 -4.277 1.940
100 HD1 TRP 11 HD1 TRP 11 -4.014 -3.490 0.712
101 HE1 TRP 11 HE1 TRP 11 -4.878 -3.873 -1.679
102 HE3 TRP 11 HE3 TRP 11 0.353 -4.948 -1.494
103 HZ2 TRP 11 HZ2 TRP 11 -3.842 -4.695 -4.176
104 HZ3 TRP 11 HZ3 TRP 11 0.334 -5.524 -3.886
105 HH2 TRP 11 HH2 TRP 11 -1.722 -5.399 -5.200
106 H LEU 12 HN LEU 12 -1.112 -1.183 -0.618
107 HA LEU 12 HA LEU 12 0.883 -1.864 -2.453
108 HB2 LEU 12 HB2 LEU 12 -0.796 0.621 -2.177
109 HB3 LEU 12 HB1 LEU 12 0.261 0.322 -3.540
110 HG LEU 12 HG LEU 12 -1.996 -1.518 -2.755
111 HD11 LEU 12 HD11 LEU 12 -1.937 0.627 -4.884
112 HD12 LEU 12 HD12 LEU 12 -2.858 0.695 -3.382
113 HD13 LEU 12 HD13 LEU 12 -3.244 -0.521 -4.599
114 HD21 LEU 12 HD21 LEU 12 -1.680 -2.418 -4.995
115 HD22 LEU 12 HD22 LEU 12 -0.188 -2.536 -4.064
116 HD23 LEU 12 HD23 LEU 12 -0.368 -1.279 -5.287
117 H THR 13 HN THR 13 0.919 0.404 0.198
118 HA THR 13 HA THR 13 3.456 1.531 -0.688
119 HB THR 13 HB THR 13 3.246 2.890 1.448
120 HG1 THR 13 HG1 THR 13 0.516 2.168 1.433
121 HG21 THR 13 HG21 THR 13 1.535 4.368 0.500
122 HG22 THR 13 HG22 THR 13 1.033 3.080 -0.596
123 HG23 THR 13 HG23 THR 13 2.642 3.785 -0.743
124 H ASN 14 HN ASN 14 2.347 -0.986 1.340
125 HA ASN 14 HA ASN 14 4.618 -0.769 3.167
126 HB2 ASN 14 HB2 ASN 14 1.952 -2.016 3.264
127 HB3 ASN 14 HB1 ASN 14 3.227 -2.837 4.160
128 HD21 ASN 14 HD21 ASN 14 1.333 0.078 3.879
129 HD22 ASN 14 HD22 ASN 14 1.746 0.725 5.431
130 H LYS 15 HN LYS 15 3.357 -2.941 0.704
131 HA LYS 15 HA LYS 15 5.091 -5.120 1.385
132 HB2 LYS 15 HB2 LYS 15 3.657 -4.562 -1.217
133 HB3 LYS 15 HB1 LYS 15 4.349 -6.100 -0.724
134 HG2 LYS 15 HG2 LYS 15 2.065 -4.660 0.587
135 HG3 LYS 15 HG1 LYS 15 1.951 -6.110 -0.418
136 HD2 LYS 15 HD2 LYS 15 3.305 -7.345 1.217
137 HD3 LYS 15 HD1 LYS 15 3.405 -5.902 2.225
138 HE2 LYS 15 HE2 LYS 15 1.719 -7.358 3.115
139 HE3 LYS 15 HE1 LYS 15 0.936 -5.935 2.431
140 HZ1 LYS 15 HZ1 LYS 15 1.197 -8.539 1.036
141 HZ2 LYS 15 HZ2 LYS 15 0.328 -7.195 0.501
142 HZ3 LYS 15 HZ3 LYS 15 -0.180 -8.040 1.872
143 H VAL 16 HN VAL 16 5.532 -2.203 -0.059
144 HA VAL 16 HA VAL 16 7.482 -2.722 -2.034
145 HB VAL 16 HB VAL 16 7.260 -0.181 -0.439
146 HG11 VAL 16 HG11 VAL 16 7.795 0.868 -2.591
147 HG12 VAL 16 HG12 VAL 16 7.886 -0.727 -3.337
148 HG13 VAL 16 HG13 VAL 16 9.043 -0.271 -2.085
149 HG21 VAL 16 HG21 VAL 16 5.424 0.514 -1.885
150 HG22 VAL 16 HG22 VAL 16 4.984 -0.925 -0.954
151 HG23 VAL 16 HG23 VAL 16 5.425 -1.070 -2.659
152 HA PRO 17 HA PRO 17 10.943 -4.004 0.429
153 HB2 PRO 17 HB2 PRO 17 12.411 -2.435 -1.632
154 HB3 PRO 17 HB1 PRO 17 12.723 -4.066 -1.031
155 HG2 PRO 17 HG2 PRO 17 11.547 -3.708 -3.384
156 HG3 PRO 17 HG1 PRO 17 11.011 -5.000 -2.293
157 HD2 PRO 17 HD2 PRO 17 9.716 -2.396 -2.928
158 HD3 PRO 17 HD1 PRO 17 8.978 -3.959 -2.529
159 H ILE 18 HN ILE 18 12.350 -3.200 1.933
160 HA ILE 18 HA ILE 18 12.564 -0.321 2.273
161 HB ILE 18 HB ILE 18 11.756 -2.161 4.538
162 HG12 ILE 18 HG12 ILE 18 10.011 -0.248 2.973
163 HG13 ILE 18 HG11 ILE 18 9.918 -2.002 2.903
164 HG21 ILE 18 HG21 ILE 18 11.290 -0.046 5.712
165 HG22 ILE 18 HG22 ILE 18 11.892 0.844 4.315
166 HG23 ILE 18 HG23 ILE 18 12.980 -0.193 5.235
167 HD11 ILE 18 HD11 ILE 18 9.266 -2.061 5.252
168 HD12 ILE 18 HD12 ILE 18 8.159 -1.082 4.293
169 HD13 ILE 18 HD13 ILE 18 9.359 -0.303 5.322
170 H LYS 19 HN LYS 19 14.555 0.165 2.746
171 HA LYS 19 HA LYS 19 16.682 -1.595 2.896
172 HB2 LYS 19 HB2 LYS 19 18.027 0.320 3.664
173 HB3 LYS 19 HB1 LYS 19 16.984 0.740 2.314
174 HG2 LYS 19 HG2 LYS 19 15.387 1.746 3.910
175 HG3 LYS 19 HG1 LYS 19 16.529 1.405 5.213
176 HD2 LYS 19 HD2 LYS 19 18.199 2.813 4.131
177 HD3 LYS 19 HD1 LYS 19 17.086 3.127 2.799
178 HE2 LYS 19 HE2 LYS 19 15.510 4.138 4.428
179 HE3 LYS 19 HE1 LYS 19 16.728 3.926 5.684
180 HZ1 LYS 19 HZ1 LYS 19 17.088 5.535 3.216
181 HZ2 LYS 19 HZ2 LYS 19 18.207 5.376 4.476
182 HZ3 LYS 19 HZ3 LYS 19 16.735 6.166 4.745
183 H ARG 20 HN ARG 20 14.582 -0.539 5.439
184 HA ARG 20 HA ARG 20 16.228 -1.872 7.449
185 HB2 ARG 20 HB2 ARG 20 13.582 -0.430 7.702
186 HB3 ARG 20 HB1 ARG 20 14.480 -1.127 9.039
187 HG2 ARG 20 HG2 ARG 20 16.358 0.415 8.478
188 HG3 ARG 20 HG1 ARG 20 15.290 1.190 7.306
189 HD2 ARG 20 HD2 ARG 20 15.288 2.402 9.426
190 HD3 ARG 20 HD1 ARG 20 13.703 1.711 9.087
191 HE ARG 20 HE ARG 20 15.619 0.410 10.911
192 HH11 ARG 20 HH11 ARG 20 12.406 1.639 10.218
193 HH12 ARG 20 HH12 ARG 20 11.719 1.022 11.685
194 HH21 ARG 20 HH21 ARG 20 14.709 -0.403 12.838
195 HH22 ARG 20 HH22 ARG 20 13.025 -0.144 13.170
196 HA PRO 21 HA PRO 21 14.103 -5.760 6.802
197 HB2 PRO 21 HB2 PRO 21 14.726 -6.117 9.690
198 HB3 PRO 21 HB1 PRO 21 15.079 -7.181 8.324
199 HG2 PRO 21 HG2 PRO 21 17.008 -5.743 9.458
200 HG3 PRO 21 HG1 PRO 21 16.958 -5.969 7.700
201 HD2 PRO 21 HD2 PRO 21 16.190 -3.583 9.327
202 HD3 PRO 21 HD1 PRO 21 17.000 -3.660 7.750
203 H SER 22 HN SER 22 11.954 -5.408 6.617
204 HA SER 22 HA SER 22 10.412 -5.051 9.087
205 HB2 SER 22 HB2 SER 22 10.665 -2.887 7.772
206 HB3 SER 22 HB1 SER 22 9.739 -3.657 6.486
207 HG SER 22 HG SER 22 8.013 -3.899 7.964
Start of MODEL 18
1 H1 LEU 1 HT1 LEU 1 -12.880 8.400 2.230
2 H2 LEU 1 HT2 LEU 1 -12.365 6.927 1.591
3 H3 LEU 1 HT3 LEU 1 -13.033 6.984 3.139
4 HA LEU 1 HA LEU 1 -15.141 7.722 2.196
5 HB2 LEU 1 HB2 LEU 1 -13.756 7.087 -0.417
6 HB3 LEU 1 HB1 LEU 1 -15.477 7.333 -0.242
7 HG LEU 1 HG LEU 1 -14.685 9.345 -1.112
8 HD11 LEU 1 HD11 LEU 1 -16.177 9.679 0.784
9 HD12 LEU 1 HD12 LEU 1 -15.022 11.000 0.622
10 HD13 LEU 1 HD13 LEU 1 -14.785 9.772 1.863
11 HD21 LEU 1 HD21 LEU 1 -12.302 8.951 -0.813
12 HD22 LEU 1 HD22 LEU 1 -12.450 9.298 0.909
13 HD23 LEU 1 HD23 LEU 1 -12.752 10.568 -0.274
14 H ARG 2 HN ARG 2 -13.472 5.200 0.277
15 HA ARG 2 HA ARG 2 -15.144 3.222 1.690
16 HB2 ARG 2 HB2 ARG 2 -15.470 3.487 -0.813
17 HB3 ARG 2 HB1 ARG 2 -13.857 2.800 -0.977
18 HG2 ARG 2 HG2 ARG 2 -14.535 0.767 0.061
19 HG3 ARG 2 HG1 ARG 2 -16.108 1.443 0.478
20 HD2 ARG 2 HD2 ARG 2 -16.666 1.634 -1.858
21 HD3 ARG 2 HD1 ARG 2 -15.082 1.009 -2.320
22 HE ARG 2 HE ARG 2 -16.730 -0.686 -0.613
23 HH11 ARG 2 HH11 ARG 2 -15.552 -0.001 -3.844
24 HH12 ARG 2 HH12 ARG 2 -15.941 -1.577 -4.450
25 HH21 ARG 2 HH21 ARG 2 -17.232 -2.750 -1.405
26 HH22 ARG 2 HH22 ARG 2 -16.892 -3.146 -3.061
27 H LEU 3 HN LEU 3 -14.178 1.610 2.709
28 HA LEU 3 HA LEU 3 -11.524 1.774 3.453
29 HB2 LEU 3 HB2 LEU 3 -11.919 -0.691 4.159
30 HB3 LEU 3 HB1 LEU 3 -12.768 0.609 4.979
31 HG LEU 3 HG LEU 3 -14.692 0.110 3.330
32 HD11 LEU 3 HD11 LEU 3 -13.433 -1.305 1.796
33 HD12 LEU 3 HD12 LEU 3 -14.793 -2.173 2.505
34 HD13 LEU 3 HD13 LEU 3 -13.157 -2.469 3.091
35 HD21 LEU 3 HD21 LEU 3 -15.522 -1.687 4.772
36 HD22 LEU 3 HD22 LEU 3 -14.814 -0.357 5.688
37 HD23 LEU 3 HD23 LEU 3 -13.909 -1.853 5.463
38 H ILE 4 HN ILE 4 -12.906 0.139 0.750
39 HA ILE 4 HA ILE 4 -10.867 -1.647 0.180
40 HB ILE 4 HB ILE 4 -12.645 -0.132 -1.738
41 HG12 ILE 4 HG12 ILE 4 -13.841 -1.610 -0.197
42 HG13 ILE 4 HG11 ILE 4 -13.899 -2.242 -1.836
43 HG21 ILE 4 HG21 ILE 4 -10.883 -2.515 -2.295
44 HG22 ILE 4 HG22 ILE 4 -10.644 -0.879 -2.906
45 HG23 ILE 4 HG23 ILE 4 -12.051 -1.813 -3.415
46 HD11 ILE 4 HD11 ILE 4 -12.140 -3.213 0.399
47 HD12 ILE 4 HD12 ILE 4 -12.086 -3.808 -1.260
48 HD13 ILE 4 HD13 ILE 4 -13.539 -4.037 -0.287
49 H HIS 5 HN HIS 5 -11.188 1.771 -0.762
50 HA HIS 5 HA HIS 5 -8.727 1.854 -2.191
51 HB2 HIS 5 HB2 HIS 5 -10.540 3.984 -1.083
52 HB3 HIS 5 HB1 HIS 5 -8.991 4.395 -1.804
53 HD1 HIS 5 HD1 HIS 5 -9.270 5.119 -4.134
54 HD2 HIS 5 HD2 HIS 5 -12.026 2.182 -3.104
55 HE1 HIS 5 HE1 HIS 5 -10.661 4.748 -6.186
56 HE2 HIS 5 HE2 HIS 5 -12.220 2.863 -5.594
57 H ALA 6 HN ALA 6 -9.635 2.211 1.131
58 HA ALA 6 HA ALA 6 -7.246 3.450 2.028
59 HB1 ALA 6 HB1 ALA 6 -9.228 1.791 3.578
60 HB2 ALA 6 HB2 ALA 6 -9.321 3.533 3.318
61 HB3 ALA 6 HB3 ALA 6 -7.997 2.852 4.265
62 H VAL 7 HN VAL 7 -8.395 0.070 2.193
63 HA VAL 7 HA VAL 7 -5.999 -0.923 3.303
64 HB VAL 7 HB VAL 7 -8.030 -2.192 3.570
65 HG11 VAL 7 HG11 VAL 7 -9.158 -1.624 1.507
66 HG12 VAL 7 HG12 VAL 7 -9.081 -3.378 1.699
67 HG13 VAL 7 HG13 VAL 7 -7.983 -2.564 0.584
68 HG21 VAL 7 HG21 VAL 7 -6.055 -3.699 1.859
69 HG22 VAL 7 HG22 VAL 7 -7.255 -4.425 2.929
70 HG23 VAL 7 HG23 VAL 7 -5.947 -3.452 3.603
71 H ARG 8 HN ARG 8 -7.076 -0.571 -0.056
72 HA ARG 8 HA ARG 8 -5.007 -2.002 -1.273
73 HB2 ARG 8 HB2 ARG 8 -6.905 0.091 -2.123
74 HB3 ARG 8 HB1 ARG 8 -5.434 -0.034 -3.081
75 HG2 ARG 8 HG2 ARG 8 -7.247 -1.374 -4.019
76 HG3 ARG 8 HG1 ARG 8 -5.882 -2.370 -3.517
77 HD2 ARG 8 HD2 ARG 8 -7.051 -2.967 -1.467
78 HD3 ARG 8 HD1 ARG 8 -8.407 -1.940 -1.930
79 HE ARG 8 HE ARG 8 -8.042 -3.724 -4.005
80 HH11 ARG 8 HH11 ARG 8 -8.800 -3.904 -0.598
81 HH12 ARG 8 HH12 ARG 8 -9.734 -5.356 -0.745
82 HH21 ARG 8 HH21 ARG 8 -9.271 -5.629 -4.219
83 HH22 ARG 8 HH22 ARG 8 -10.015 -6.334 -2.820
84 H GLY 9 HN GLY 9 -5.204 1.526 -0.832
85 HA2 GLY 9 HA2 GLY 9 -2.580 2.144 -1.488
86 HA3 GLY 9 HA1 GLY 9 -3.570 3.077 -0.374
87 H TYR 10 HN TYR 10 -3.903 0.939 1.515
88 HA TYR 10 HA TYR 10 -1.724 1.271 3.197
89 HB2 TYR 10 HB2 TYR 10 -3.775 0.574 4.149
90 HB3 TYR 10 HB1 TYR 10 -3.899 -0.807 3.070
91 HD1 TYR 10 HD1 TYR 10 -3.126 -2.903 3.731
92 HD2 TYR 10 HD2 TYR 10 -1.918 0.541 5.917
93 HE1 TYR 10 HE1 TYR 10 -2.135 -4.351 5.447
94 HE2 TYR 10 HE2 TYR 10 -0.924 -0.898 7.642
95 HH TYR 10 HH TYR 10 -0.359 -4.189 7.196
96 H TRP 11 HN TRP 11 -2.514 -1.756 1.383
97 HA TRP 11 HA TRP 11 0.014 -2.836 2.148
98 HB2 TRP 11 HB2 TRP 11 -0.545 -4.801 0.861
99 HB3 TRP 11 HB1 TRP 11 -1.921 -4.292 1.817
100 HD1 TRP 11 HD1 TRP 11 -4.112 -3.609 0.558
101 HE1 TRP 11 HE1 TRP 11 -4.889 -3.900 -1.880
102 HE3 TRP 11 HE3 TRP 11 0.378 -4.752 -1.594
103 HZ2 TRP 11 HZ2 TRP 11 -3.747 -4.528 -4.383
104 HZ3 TRP 11 HZ3 TRP 11 0.451 -5.194 -4.014
105 HH2 TRP 11 HH2 TRP 11 -1.571 -5.083 -5.379
106 H LEU 12 HN LEU 12 -1.093 -1.030 -0.573
107 HA LEU 12 HA LEU 12 0.990 -1.679 -2.371
108 HB2 LEU 12 HB2 LEU 12 -0.758 0.757 -2.099
109 HB3 LEU 12 HB1 LEU 12 0.374 0.531 -3.413
110 HG LEU 12 HG LEU 12 -1.842 -1.424 -2.830
111 HD11 LEU 12 HD11 LEU 12 -3.096 -0.308 -4.614
112 HD12 LEU 12 HD12 LEU 12 -1.831 0.915 -4.743
113 HD13 LEU 12 HD13 LEU 12 -2.789 0.795 -3.270
114 HD21 LEU 12 HD21 LEU 12 -1.436 -2.100 -5.142
115 HD22 LEU 12 HD22 LEU 12 0.031 -2.250 -4.178
116 HD23 LEU 12 HD23 LEU 12 -0.161 -0.890 -5.286
117 H THR 13 HN THR 13 0.763 0.577 0.286
118 HA THR 13 HA THR 13 3.331 1.750 -0.417
119 HB THR 13 HB THR 13 2.947 3.182 1.595
120 HG1 THR 13 HG1 THR 13 0.314 2.126 1.645
121 HG21 THR 13 HG21 THR 13 1.074 4.451 0.611
122 HG22 THR 13 HG22 THR 13 0.701 3.070 -0.426
123 HG23 THR 13 HG23 THR 13 2.231 3.928 -0.614
124 H ASN 14 HN ASN 14 2.211 -0.902 1.187
125 HA ASN 14 HA ASN 14 4.286 -0.988 3.237
126 HB2 ASN 14 HB2 ASN 14 1.868 -2.620 2.584
127 HB3 ASN 14 HB1 ASN 14 3.114 -3.296 3.624
128 HD21 ASN 14 HD21 ASN 14 2.310 0.109 3.600
129 HD22 ASN 14 HD22 ASN 14 1.600 0.141 5.172
130 H LYS 15 HN LYS 15 3.081 -3.200 0.713
131 HA LYS 15 HA LYS 15 5.313 -4.947 0.950
132 HB2 LYS 15 HB2 LYS 15 3.326 -4.750 -1.318
133 HB3 LYS 15 HB1 LYS 15 4.345 -6.129 -0.935
134 HG2 LYS 15 HG2 LYS 15 2.118 -5.046 0.775
135 HG3 LYS 15 HG1 LYS 15 2.055 -6.503 -0.221
136 HD2 LYS 15 HD2 LYS 15 3.881 -7.471 1.120
137 HD3 LYS 15 HD1 LYS 15 3.879 -6.029 2.135
138 HE2 LYS 15 HE2 LYS 15 2.635 -7.775 3.232
139 HE3 LYS 15 HE1 LYS 15 1.531 -6.495 2.735
140 HZ1 LYS 15 HZ1 LYS 15 0.638 -8.693 2.265
141 HZ2 LYS 15 HZ2 LYS 15 1.967 -9.049 1.283
142 HZ3 LYS 15 HZ3 LYS 15 0.888 -7.830 0.835
143 H VAL 16 HN VAL 16 4.668 -2.133 -0.874
144 HA VAL 16 HA VAL 16 6.762 -2.727 -2.829
145 HB VAL 16 HB VAL 16 4.958 -0.332 -2.901
146 HG11 VAL 16 HG11 VAL 16 6.794 -0.386 -4.484
147 HG12 VAL 16 HG12 VAL 16 5.253 -0.562 -5.324
148 HG13 VAL 16 HG13 VAL 16 6.279 -1.972 -5.058
149 HG21 VAL 16 HG21 VAL 16 3.469 -2.199 -2.536
150 HG22 VAL 16 HG22 VAL 16 4.252 -3.112 -3.835
151 HG23 VAL 16 HG23 VAL 16 3.338 -1.650 -4.212
152 HA PRO 17 HA PRO 17 9.443 0.016 -0.473
153 HB2 PRO 17 HB2 PRO 17 11.128 -0.121 -2.862
154 HB3 PRO 17 HB1 PRO 17 11.504 -0.586 -1.205
155 HG2 PRO 17 HG2 PRO 17 11.145 -2.414 -3.149
156 HG3 PRO 17 HG1 PRO 17 10.681 -2.717 -1.466
157 HD2 PRO 17 HD2 PRO 17 8.968 -2.010 -3.809
158 HD3 PRO 17 HD1 PRO 17 8.639 -3.117 -2.460
159 H ILE 18 HN ILE 18 9.197 2.139 -0.408
160 HA ILE 18 HA ILE 18 8.305 3.532 -2.800
161 HB ILE 18 HB ILE 18 8.498 4.594 0.025
162 HG12 ILE 18 HG12 ILE 18 6.097 3.475 -1.445
163 HG13 ILE 18 HG11 ILE 18 6.971 2.646 -0.162
164 HG21 ILE 18 HG21 ILE 18 6.916 6.300 -0.786
165 HG22 ILE 18 HG22 ILE 18 7.038 5.620 -2.408
166 HG23 ILE 18 HG23 ILE 18 8.452 6.349 -1.651
167 HD11 ILE 18 HD11 ILE 18 5.453 5.228 0.112
168 HD12 ILE 18 HD12 ILE 18 6.338 4.414 1.402
169 HD13 ILE 18 HD13 ILE 18 4.930 3.641 0.674
170 H LYS 19 HN LYS 19 10.416 3.348 -3.795
171 HA LYS 19 HA LYS 19 12.640 4.751 -2.663
172 HB2 LYS 19 HB2 LYS 19 13.033 2.803 -4.042
173 HB3 LYS 19 HB1 LYS 19 12.164 3.529 -5.383
174 HG2 LYS 19 HG2 LYS 19 14.538 3.637 -5.770
175 HG3 LYS 19 HG1 LYS 19 13.875 5.257 -5.546
176 HD2 LYS 19 HD2 LYS 19 14.663 5.266 -3.230
177 HD3 LYS 19 HD1 LYS 19 15.310 3.637 -3.445
178 HE2 LYS 19 HE2 LYS 19 16.816 4.469 -5.182
179 HE3 LYS 19 HE1 LYS 19 16.171 6.094 -4.965
180 HZ1 LYS 19 HZ1 LYS 19 18.273 5.748 -3.788
181 HZ2 LYS 19 HZ2 LYS 19 17.559 4.528 -2.863
182 HZ3 LYS 19 HZ3 LYS 19 17.011 6.118 -2.727
183 H ARG 20 HN ARG 20 10.073 5.431 -4.923
184 HA ARG 20 HA ARG 20 11.272 7.926 -5.769
185 HB2 ARG 20 HB2 ARG 20 9.273 8.222 -7.132
186 HB3 ARG 20 HB1 ARG 20 9.949 6.620 -7.376
187 HG2 ARG 20 HG2 ARG 20 8.236 5.613 -6.062
188 HG3 ARG 20 HG1 ARG 20 7.648 7.188 -5.527
189 HD2 ARG 20 HD2 ARG 20 7.603 6.155 -8.360
190 HD3 ARG 20 HD1 ARG 20 6.219 6.234 -7.271
191 HE ARG 20 HE ARG 20 7.608 8.737 -7.806
192 HH11 ARG 20 HH11 ARG 20 4.881 6.659 -8.531
193 HH12 ARG 20 HH12 ARG 20 3.946 7.933 -9.246
194 HH21 ARG 20 HH21 ARG 20 6.381 10.410 -8.734
195 HH22 ARG 20 HH22 ARG 20 4.799 10.071 -9.366
196 HA PRO 21 HA PRO 21 9.484 10.384 -2.480
197 HB2 PRO 21 HB2 PRO 21 9.651 12.566 -4.472
198 HB3 PRO 21 HB1 PRO 21 10.357 12.465 -2.857
199 HG2 PRO 21 HG2 PRO 21 11.870 12.249 -5.055
200 HG3 PRO 21 HG1 PRO 21 12.213 11.304 -3.595
201 HD2 PRO 21 HD2 PRO 21 10.912 10.447 -6.146
202 HD3 PRO 21 HD1 PRO 21 12.052 9.569 -5.106
203 H SER 22 HN SER 22 7.382 9.872 -2.259
204 HA SER 22 HA SER 22 5.536 10.485 -4.438
205 HB2 SER 22 HB2 SER 22 5.054 8.854 -1.935
206 HB3 SER 22 HB1 SER 22 3.997 8.963 -3.344
207 HG SER 22 HG SER 22 6.677 8.111 -3.610
Start of MODEL 19
1 H1 LEU 1 HT1 LEU 1 -11.575 8.983 2.935
2 H2 LEU 1 HT2 LEU 1 -11.021 7.454 3.394
3 H3 LEU 1 HT3 LEU 1 -12.565 7.966 3.851
4 HA LEU 1 HA LEU 1 -13.290 7.994 1.576
5 HB2 LEU 1 HB2 LEU 1 -10.916 8.488 0.771
6 HB3 LEU 1 HB1 LEU 1 -10.619 6.768 0.907
7 HG LEU 1 HG LEU 1 -12.364 6.328 -0.762
8 HD11 LEU 1 HD11 LEU 1 -13.308 8.209 -2.042
9 HD12 LEU 1 HD12 LEU 1 -12.579 9.331 -0.892
10 HD13 LEU 1 HD13 LEU 1 -13.826 8.207 -0.358
11 HD21 LEU 1 HD21 LEU 1 -10.058 6.612 -1.481
12 HD22 LEU 1 HD22 LEU 1 -10.313 8.350 -1.643
13 HD23 LEU 1 HD23 LEU 1 -11.179 7.230 -2.695
14 H ARG 2 HN ARG 2 -13.640 5.846 0.260
15 HA ARG 2 HA ARG 2 -14.659 3.852 1.858
16 HB2 ARG 2 HB2 ARG 2 -14.890 4.213 -0.679
17 HB3 ARG 2 HB1 ARG 2 -13.417 3.269 -0.815
18 HG2 ARG 2 HG2 ARG 2 -15.059 1.689 -1.150
19 HG3 ARG 2 HG1 ARG 2 -14.697 1.505 0.566
20 HD2 ARG 2 HD2 ARG 2 -16.941 3.208 -0.497
21 HD3 ARG 2 HD1 ARG 2 -17.138 1.525 -0.025
22 HE ARG 2 HE ARG 2 -16.366 2.280 2.243
23 HH11 ARG 2 HH11 ARG 2 -17.892 4.524 0.021
24 HH12 ARG 2 HH12 ARG 2 -18.592 5.489 1.281
25 HH21 ARG 2 HH21 ARG 2 -17.292 3.546 3.897
26 HH22 ARG 2 HH22 ARG 2 -18.244 4.935 3.486
27 H LEU 3 HN LEU 3 -13.909 2.036 2.796
28 HA LEU 3 HA LEU 3 -11.232 1.875 3.526
29 HB2 LEU 3 HB2 LEU 3 -11.872 -0.501 4.244
30 HB3 LEU 3 HB1 LEU 3 -12.646 0.860 5.040
31 HG LEU 3 HG LEU 3 -14.544 0.452 3.291
32 HD11 LEU 3 HD11 LEU 3 -14.778 -1.872 2.621
33 HD12 LEU 3 HD12 LEU 3 -13.206 -2.247 3.325
34 HD13 LEU 3 HD13 LEU 3 -13.315 -1.167 1.935
35 HD21 LEU 3 HD21 LEU 3 -14.010 -1.396 5.598
36 HD22 LEU 3 HD22 LEU 3 -15.573 -1.175 4.815
37 HD23 LEU 3 HD23 LEU 3 -14.815 0.170 5.666
38 H ILE 4 HN ILE 4 -12.889 0.484 0.825
39 HA ILE 4 HA ILE 4 -11.087 -1.532 0.185
40 HB ILE 4 HB ILE 4 -12.757 0.189 -1.654
41 HG12 ILE 4 HG12 ILE 4 -14.045 -1.174 -0.076
42 HG13 ILE 4 HG11 ILE 4 -14.243 -1.761 -1.720
43 HG21 ILE 4 HG21 ILE 4 -11.274 -2.357 -2.296
44 HG22 ILE 4 HG22 ILE 4 -10.898 -0.746 -2.908
45 HG23 ILE 4 HG23 ILE 4 -12.410 -1.531 -3.363
46 HD11 ILE 4 HD11 ILE 4 -12.593 -3.531 -1.247
47 HD12 ILE 4 HD12 ILE 4 -14.023 -3.620 -0.221
48 HD13 ILE 4 HD13 ILE 4 -12.516 -2.971 0.423
49 H HIS 5 HN HIS 5 -11.097 1.898 -0.726
50 HA HIS 5 HA HIS 5 -8.647 1.766 -2.177
51 HB2 HIS 5 HB2 HIS 5 -10.258 4.043 -1.044
52 HB3 HIS 5 HB1 HIS 5 -8.681 4.319 -1.771
53 HD1 HIS 5 HD1 HIS 5 -8.923 5.100 -4.089
54 HD2 HIS 5 HD2 HIS 5 -11.890 2.369 -3.073
55 HE1 HIS 5 HE1 HIS 5 -10.348 4.851 -6.140
56 HE2 HIS 5 HE2 HIS 5 -12.211 3.301 -5.461
57 H ALA 6 HN ALA 6 -9.524 2.278 1.156
58 HA ALA 6 HA ALA 6 -7.050 3.313 2.046
59 HB1 ALA 6 HB1 ALA 6 -9.119 1.805 3.635
60 HB2 ALA 6 HB2 ALA 6 -9.146 3.538 3.312
61 HB3 ALA 6 HB3 ALA 6 -7.849 2.843 4.283
62 H VAL 7 HN VAL 7 -8.375 -0.004 2.018
63 HA VAL 7 HA VAL 7 -6.052 -1.140 3.202
64 HB VAL 7 HB VAL 7 -8.076 -2.388 3.417
65 HG11 VAL 7 HG11 VAL 7 -9.269 -1.632 1.465
66 HG12 VAL 7 HG12 VAL 7 -9.221 -3.396 1.486
67 HG13 VAL 7 HG13 VAL 7 -8.149 -2.497 0.413
68 HG21 VAL 7 HG21 VAL 7 -7.415 -4.583 2.593
69 HG22 VAL 7 HG22 VAL 7 -6.022 -3.708 3.233
70 HG23 VAL 7 HG23 VAL 7 -6.262 -3.831 1.488
71 H ARG 8 HN ARG 8 -7.096 -0.692 -0.153
72 HA ARG 8 HA ARG 8 -5.001 -2.102 -1.365
73 HB2 ARG 8 HB2 ARG 8 -6.892 0.019 -2.219
74 HB3 ARG 8 HB1 ARG 8 -5.451 -0.206 -3.200
75 HG2 ARG 8 HG2 ARG 8 -7.440 -1.471 -3.987
76 HG3 ARG 8 HG1 ARG 8 -6.022 -2.466 -3.661
77 HD2 ARG 8 HD2 ARG 8 -6.941 -3.199 -1.572
78 HD3 ARG 8 HD1 ARG 8 -8.289 -2.075 -1.716
79 HE ARG 8 HE ARG 8 -8.402 -3.685 -3.952
80 HH11 ARG 8 HH11 ARG 8 -8.491 -4.172 -0.490
81 HH12 ARG 8 HH12 ARG 8 -9.547 -5.542 -0.576
82 HH21 ARG 8 HH21 ARG 8 -9.802 -5.496 -4.068
83 HH22 ARG 8 HH22 ARG 8 -10.293 -6.289 -2.606
84 H GLY 9 HN GLY 9 -5.278 1.390 -0.756
85 HA2 GLY 9 HA2 GLY 9 -2.668 2.081 -1.470
86 HA3 GLY 9 HA1 GLY 9 -3.673 2.977 -0.337
87 H TYR 10 HN TYR 10 -3.969 0.800 1.518
88 HA TYR 10 HA TYR 10 -1.817 1.116 3.221
89 HB2 TYR 10 HB2 TYR 10 -3.813 0.294 4.157
90 HB3 TYR 10 HB1 TYR 10 -3.933 -1.010 2.988
91 HD1 TYR 10 HD1 TYR 10 -1.745 0.179 5.774
92 HD2 TYR 10 HD2 TYR 10 -3.314 -3.135 3.615
93 HE1 TYR 10 HE1 TYR 10 -0.686 -1.357 7.375
94 HE2 TYR 10 HE2 TYR 10 -2.256 -4.682 5.208
95 HH TYR 10 HH TYR 10 -1.042 -3.709 8.176
96 H TRP 11 HN TRP 11 -2.487 -1.911 1.371
97 HA TRP 11 HA TRP 11 0.072 -2.901 2.094
98 HB2 TRP 11 HB2 TRP 11 -0.396 -4.830 0.725
99 HB3 TRP 11 HB1 TRP 11 -1.813 -4.404 1.659
100 HD1 TRP 11 HD1 TRP 11 -3.978 -3.620 0.340
101 HE1 TRP 11 HE1 TRP 11 -4.678 -3.899 -2.120
102 HE3 TRP 11 HE3 TRP 11 0.561 -4.834 -1.658
103 HZ2 TRP 11 HZ2 TRP 11 -3.458 -4.547 -4.585
104 HZ3 TRP 11 HZ3 TRP 11 0.711 -5.278 -4.074
105 HH2 TRP 11 HH2 TRP 11 -1.260 -5.137 -5.506
106 H LEU 12 HN LEU 12 -1.118 -1.180 -0.698
107 HA LEU 12 HA LEU 12 1.024 -1.647 -2.435
108 HB2 LEU 12 HB2 LEU 12 -0.869 0.671 -2.160
109 HB3 LEU 12 HB1 LEU 12 0.322 0.572 -3.439
110 HG LEU 12 HG LEU 12 -1.784 -1.534 -2.977
111 HD11 LEU 12 HD11 LEU 12 -2.992 -0.529 -4.847
112 HD12 LEU 12 HD12 LEU 12 -1.808 0.776 -4.923
113 HD13 LEU 12 HD13 LEU 12 -2.846 0.609 -3.507
114 HD21 LEU 12 HD21 LEU 12 -1.218 -2.181 -5.275
115 HD22 LEU 12 HD22 LEU 12 0.179 -2.292 -4.206
116 HD23 LEU 12 HD23 LEU 12 0.025 -0.933 -5.318
117 H THR 13 HN THR 13 0.679 0.626 0.227
118 HA THR 13 HA THR 13 3.231 1.881 -0.414
119 HB THR 13 HB THR 13 2.791 3.232 1.659
120 HG1 THR 13 HG1 THR 13 0.173 2.123 1.567
121 HG21 THR 13 HG21 THR 13 0.592 3.224 -0.405
122 HG22 THR 13 HG22 THR 13 2.145 4.046 -0.556
123 HG23 THR 13 HG23 THR 13 0.992 4.558 0.676
124 H ASN 14 HN ASN 14 2.241 -0.858 1.166
125 HA ASN 14 HA ASN 14 4.172 -0.643 3.359
126 HB2 ASN 14 HB2 ASN 14 1.656 -2.068 2.914
127 HB3 ASN 14 HB1 ASN 14 2.863 -2.957 3.838
128 HD21 ASN 14 HD21 ASN 14 0.943 -0.034 3.707
129 HD22 ASN 14 HD22 ASN 14 1.063 0.350 5.391
130 H LYS 15 HN LYS 15 3.379 -2.699 0.595
131 HA LYS 15 HA LYS 15 5.268 -4.730 1.110
132 HB2 LYS 15 HB2 LYS 15 4.348 -3.754 -1.600
133 HB3 LYS 15 HB1 LYS 15 5.049 -5.321 -1.235
134 HG2 LYS 15 HG2 LYS 15 2.397 -4.301 -0.250
135 HG3 LYS 15 HG1 LYS 15 2.645 -5.471 -1.545
136 HD2 LYS 15 HD2 LYS 15 3.511 -5.874 1.317
137 HD3 LYS 15 HD1 LYS 15 2.008 -6.492 0.632
138 HE2 LYS 15 HE2 LYS 15 3.318 -7.771 -1.017
139 HE3 LYS 15 HE1 LYS 15 4.802 -7.185 -0.266
140 HZ1 LYS 15 HZ1 LYS 15 2.729 -8.848 1.055
141 HZ2 LYS 15 HZ2 LYS 15 4.136 -8.269 1.791
142 HZ3 LYS 15 HZ3 LYS 15 4.243 -9.383 0.528
143 H VAL 16 HN VAL 16 5.585 -1.523 0.190
144 HA VAL 16 HA VAL 16 8.144 -1.739 -1.141
145 HB VAL 16 HB VAL 16 7.052 0.856 -0.168
146 HG11 VAL 16 HG11 VAL 16 8.310 -0.008 -2.766
147 HG12 VAL 16 HG12 VAL 16 9.122 0.813 -1.434
148 HG13 VAL 16 HG13 VAL 16 7.857 1.643 -2.340
149 HG21 VAL 16 HG21 VAL 16 5.494 0.985 -2.072
150 HG22 VAL 16 HG22 VAL 16 5.033 -0.257 -0.900
151 HG23 VAL 16 HG23 VAL 16 5.810 -0.715 -2.422
152 HA PRO 17 HA PRO 17 10.141 -1.418 2.900
153 HB2 PRO 17 HB2 PRO 17 12.688 -1.649 1.964
154 HB3 PRO 17 HB1 PRO 17 11.632 -3.036 2.247
155 HG2 PRO 17 HG2 PRO 17 12.315 -1.663 -0.311
156 HG3 PRO 17 HG1 PRO 17 12.090 -3.391 0.010
157 HD2 PRO 17 HD2 PRO 17 10.200 -1.812 -1.169
158 HD3 PRO 17 HD1 PRO 17 9.812 -3.259 -0.218
159 H ILE 18 HN ILE 18 10.240 0.559 3.752
160 HA ILE 18 HA ILE 18 11.340 2.749 2.151
161 HB ILE 18 HB ILE 18 9.852 2.942 4.780
162 HG12 ILE 18 HG12 ILE 18 8.802 3.327 1.965
163 HG13 ILE 18 HG11 ILE 18 8.445 1.947 2.998
164 HG21 ILE 18 HG21 ILE 18 9.547 5.299 4.123
165 HG22 ILE 18 HG22 ILE 18 10.545 5.016 2.698
166 HG23 ILE 18 HG23 ILE 18 11.249 4.872 4.307
167 HD11 ILE 18 HD11 ILE 18 7.329 3.421 4.588
168 HD12 ILE 18 HD12 ILE 18 6.612 3.541 2.980
169 HD13 ILE 18 HD13 ILE 18 7.695 4.807 3.561
170 H LYS 19 HN LYS 19 13.514 1.940 2.464
171 HA LYS 19 HA LYS 19 14.573 2.217 5.177
172 HB2 LYS 19 HB2 LYS 19 16.076 1.391 2.691
173 HB3 LYS 19 HB1 LYS 19 16.575 1.175 4.360
174 HG2 LYS 19 HG2 LYS 19 14.705 -0.383 4.700
175 HG3 LYS 19 HG1 LYS 19 14.265 -0.199 3.002
176 HD2 LYS 19 HD2 LYS 19 15.535 -2.206 3.190
177 HD3 LYS 19 HD1 LYS 19 16.571 -1.005 2.421
178 HE2 LYS 19 HE2 LYS 19 17.678 -0.572 4.540
179 HE3 LYS 19 HE1 LYS 19 16.610 -1.713 5.353
180 HZ1 LYS 19 HZ1 LYS 19 18.762 -2.695 4.856
181 HZ2 LYS 19 HZ2 LYS 19 18.550 -2.391 3.206
182 HZ3 LYS 19 HZ3 LYS 19 17.535 -3.486 4.000
183 H ARG 20 HN ARG 20 14.389 3.852 2.168
184 HA ARG 20 HA ARG 20 16.416 5.803 2.959
185 HB2 ARG 20 HB2 ARG 20 14.765 5.639 0.436
186 HB3 ARG 20 HB1 ARG 20 16.079 6.761 0.731
187 HG2 ARG 20 HG2 ARG 20 17.642 4.894 0.864
188 HG3 ARG 20 HG1 ARG 20 16.323 3.772 0.553
189 HD2 ARG 20 HD2 ARG 20 17.595 4.232 -1.480
190 HD3 ARG 20 HD1 ARG 20 15.933 4.801 -1.615
191 HE ARG 20 HE ARG 20 17.780 6.824 -0.739
192 HH11 ARG 20 HH11 ARG 20 16.400 5.220 -3.521
193 HH12 ARG 20 HH12 ARG 20 16.688 6.552 -4.595
194 HH21 ARG 20 HH21 ARG 20 18.166 8.587 -2.152
195 HH22 ARG 20 HH22 ARG 20 17.677 8.472 -3.812
196 HA PRO 21 HA PRO 21 13.196 8.577 4.255
197 HB2 PRO 21 HB2 PRO 21 14.656 10.850 4.438
198 HB3 PRO 21 HB1 PRO 21 14.785 9.533 5.604
199 HG2 PRO 21 HG2 PRO 21 16.656 10.352 3.476
200 HG3 PRO 21 HG1 PRO 21 16.977 9.487 4.986
201 HD2 PRO 21 HD2 PRO 21 16.748 8.381 2.382
202 HD3 PRO 21 HD1 PRO 21 16.903 7.498 3.908
203 H SER 22 HN SER 22 11.642 9.329 2.999
204 HA SER 22 HA SER 22 10.494 10.394 1.368
205 HB2 SER 22 HB2 SER 22 11.794 12.362 2.223
206 HB3 SER 22 HB1 SER 22 12.998 12.052 0.976
207 HG SER 22 HG SER 22 10.247 12.612 0.517
Start of MODEL 20
1 H1 LEU 1 HT1 LEU 1 -14.627 8.526 -0.233
2 H2 LEU 1 HT2 LEU 1 -13.279 7.735 -0.865
3 H3 LEU 1 HT3 LEU 1 -13.103 9.251 -0.141
4 HA LEU 1 HA LEU 1 -12.319 7.575 1.344
5 HB2 LEU 1 HB2 LEU 1 -15.020 8.599 2.237
6 HB3 LEU 1 HB1 LEU 1 -13.749 8.011 3.287
7 HG LEU 1 HG LEU 1 -12.360 9.963 2.216
8 HD11 LEU 1 HD11 LEU 1 -13.728 11.908 1.684
9 HD12 LEU 1 HD12 LEU 1 -15.186 10.928 1.833
10 HD13 LEU 1 HD13 LEU 1 -14.023 10.589 0.552
11 HD21 LEU 1 HD21 LEU 1 -14.532 10.425 4.250
12 HD22 LEU 1 HD22 LEU 1 -13.102 11.432 4.018
13 HD23 LEU 1 HD23 LEU 1 -12.928 9.767 4.573
14 H ARG 2 HN ARG 2 -12.321 5.480 0.632
15 HA ARG 2 HA ARG 2 -14.613 3.879 1.504
16 HB2 ARG 2 HB2 ARG 2 -14.674 4.312 -1.019
17 HB3 ARG 2 HB1 ARG 2 -13.214 3.335 -1.100
18 HG2 ARG 2 HG2 ARG 2 -15.141 1.985 -1.638
19 HG3 ARG 2 HG1 ARG 2 -14.430 1.446 -0.115
20 HD2 ARG 2 HD2 ARG 2 -16.875 1.519 0.010
21 HD3 ARG 2 HD1 ARG 2 -16.138 2.663 1.127
22 HE ARG 2 HE ARG 2 -16.824 3.810 -1.417
23 HH11 ARG 2 HH11 ARG 2 -18.013 3.031 1.779
24 HH12 ARG 2 HH12 ARG 2 -19.268 4.228 1.741
25 HH21 ARG 2 HH21 ARG 2 -18.474 5.381 -1.475
26 HH22 ARG 2 HH22 ARG 2 -19.533 5.567 -0.112
27 H LEU 3 HN LEU 3 -14.022 2.052 2.494
28 HA LEU 3 HA LEU 3 -11.425 1.763 3.411
29 HB2 LEU 3 HB2 LEU 3 -12.215 -0.609 4.024
30 HB3 LEU 3 HB1 LEU 3 -12.957 0.774 4.811
31 HG LEU 3 HG LEU 3 -14.780 0.525 2.972
32 HD11 LEU 3 HD11 LEU 3 -13.594 -2.243 2.937
33 HD12 LEU 3 HD12 LEU 3 -13.553 -1.094 1.603
34 HD13 LEU 3 HD13 LEU 3 -15.095 -1.738 2.163
35 HD21 LEU 3 HD21 LEU 3 -15.966 -1.099 4.369
36 HD22 LEU 3 HD22 LEU 3 -15.157 0.142 5.326
37 HD23 LEU 3 HD23 LEU 3 -14.453 -1.470 5.195
38 H ILE 4 HN ILE 4 -12.914 0.428 0.590
39 HA ILE 4 HA ILE 4 -11.068 -1.583 0.056
40 HB ILE 4 HB ILE 4 -12.593 0.158 -1.889
41 HG12 ILE 4 HG12 ILE 4 -14.015 -1.186 -0.414
42 HG13 ILE 4 HG11 ILE 4 -14.097 -1.771 -2.069
43 HG21 ILE 4 HG21 ILE 4 -10.652 -0.807 -2.999
44 HG22 ILE 4 HG22 ILE 4 -12.141 -1.552 -3.579
45 HG23 ILE 4 HG23 ILE 4 -11.113 -2.413 -2.434
46 HD11 ILE 4 HD11 ILE 4 -12.526 -3.571 -1.483
47 HD12 ILE 4 HD12 ILE 4 -14.019 -3.627 -0.546
48 HD13 ILE 4 HD13 ILE 4 -12.540 -3.005 0.187
49 H HIS 5 HN HIS 5 -11.030 1.862 -0.785
50 HA HIS 5 HA HIS 5 -8.481 1.701 -2.089
51 HB2 HIS 5 HB2 HIS 5 -10.162 4.038 -1.181
52 HB3 HIS 5 HB1 HIS 5 -8.585 4.241 -1.934
53 HD1 HIS 5 HD1 HIS 5 -8.638 4.483 -4.388
54 HD2 HIS 5 HD2 HIS 5 -11.997 2.507 -2.959
55 HE1 HIS 5 HE1 HIS 5 -10.114 4.130 -6.384
56 HE2 HIS 5 HE2 HIS 5 -12.036 2.745 -5.532
57 H ALA 6 HN ALA 6 -9.627 2.215 1.135
58 HA ALA 6 HA ALA 6 -7.282 3.351 2.229
59 HB1 ALA 6 HB1 ALA 6 -8.203 2.740 4.390
60 HB2 ALA 6 HB2 ALA 6 -9.376 1.680 3.610
61 HB3 ALA 6 HB3 ALA 6 -9.461 3.425 3.360
62 H VAL 7 HN VAL 7 -8.463 -0.025 2.113
63 HA VAL 7 HA VAL 7 -6.097 -1.039 3.333
64 HB VAL 7 HB VAL 7 -8.141 -2.309 3.523
65 HG11 VAL 7 HG11 VAL 7 -7.996 -2.614 0.534
66 HG12 VAL 7 HG12 VAL 7 -9.222 -1.736 1.452
67 HG13 VAL 7 HG13 VAL 7 -9.101 -3.490 1.591
68 HG21 VAL 7 HG21 VAL 7 -6.043 -3.550 3.604
69 HG22 VAL 7 HG22 VAL 7 -6.109 -3.792 1.856
70 HG23 VAL 7 HG23 VAL 7 -7.330 -4.528 2.897
71 H ARG 8 HN ARG 8 -7.147 -0.657 -0.033
72 HA ARG 8 HA ARG 8 -5.038 -1.995 -1.265
73 HB2 ARG 8 HB2 ARG 8 -6.996 0.040 -2.065
74 HB3 ARG 8 HB1 ARG 8 -5.493 0.089 -2.977
75 HG2 ARG 8 HG2 ARG 8 -7.078 -1.298 -4.127
76 HG3 ARG 8 HG1 ARG 8 -5.768 -2.297 -3.503
77 HD2 ARG 8 HD2 ARG 8 -7.181 -2.928 -1.594
78 HD3 ARG 8 HD1 ARG 8 -8.499 -1.970 -2.271
79 HE ARG 8 HE ARG 8 -7.564 -3.853 -4.167
80 HH11 ARG 8 HH11 ARG 8 -9.469 -3.636 -1.235
81 HH12 ARG 8 HH12 ARG 8 -10.403 -5.050 -1.588
82 HH21 ARG 8 HH21 ARG 8 -8.779 -5.713 -4.627
83 HH22 ARG 8 HH22 ARG 8 -10.006 -6.238 -3.520
84 H GLY 9 HN GLY 9 -5.295 1.495 -0.602
85 HA2 GLY 9 HA2 GLY 9 -2.690 2.169 -1.352
86 HA3 GLY 9 HA1 GLY 9 -3.674 3.077 -0.214
87 H TYR 10 HN TYR 10 -3.898 0.757 1.589
88 HA TYR 10 HA TYR 10 -1.704 1.195 3.264
89 HB2 TYR 10 HB2 TYR 10 -3.617 0.375 4.335
90 HB3 TYR 10 HB1 TYR 10 -3.844 -0.912 3.157
91 HD1 TYR 10 HD1 TYR 10 -3.170 -3.063 3.667
92 HD2 TYR 10 HD2 TYR 10 -1.488 0.186 5.845
93 HE1 TYR 10 HE1 TYR 10 -2.018 -4.655 5.146
94 HE2 TYR 10 HE2 TYR 10 -0.335 -1.402 7.331
95 HH TYR 10 HH TYR 10 -0.649 -3.787 8.074
96 H TRP 11 HN TRP 11 -2.423 -1.818 1.416
97 HA TRP 11 HA TRP 11 0.156 -2.824 2.097
98 HB2 TRP 11 HB2 TRP 11 -0.386 -4.778 0.776
99 HB3 TRP 11 HB1 TRP 11 -1.746 -4.331 1.784
100 HD1 TRP 11 HD1 TRP 11 -3.977 -3.545 0.574
101 HE1 TRP 11 HE1 TRP 11 -4.817 -3.867 -1.834
102 HE3 TRP 11 HE3 TRP 11 0.429 -4.833 -1.653
103 HZ2 TRP 11 HZ2 TRP 11 -3.749 -4.573 -4.345
104 HZ3 TRP 11 HZ3 TRP 11 0.437 -5.325 -4.061
105 HH2 TRP 11 HH2 TRP 11 -1.612 -5.198 -5.381
106 H LEU 12 HN LEU 12 -1.157 -1.156 -0.660
107 HA LEU 12 HA LEU 12 0.837 -1.692 -2.529
108 HB2 LEU 12 HB2 LEU 12 -0.923 0.708 -2.108
109 HB3 LEU 12 HB1 LEU 12 0.166 0.566 -3.472
110 HG LEU 12 HG LEU 12 -1.999 -1.441 -2.855
111 HD11 LEU 12 HD11 LEU 12 -3.252 -0.383 -4.689
112 HD12 LEU 12 HD12 LEU 12 -2.026 0.881 -4.792
113 HD13 LEU 12 HD13 LEU 12 -3.010 0.723 -3.338
114 HD21 LEU 12 HD21 LEU 12 -1.617 -2.124 -5.187
115 HD22 LEU 12 HD22 LEU 12 -0.170 -2.314 -4.199
116 HD23 LEU 12 HD23 LEU 12 -0.306 -0.952 -5.310
117 H THR 13 HN THR 13 0.801 0.574 0.153
118 HA THR 13 HA THR 13 3.377 1.676 -0.653
119 HB THR 13 HB THR 13 3.106 3.050 1.460
120 HG1 THR 13 HG1 THR 13 0.382 2.295 1.375
121 HG21 THR 13 HG21 THR 13 0.940 3.237 -0.633
122 HG22 THR 13 HG22 THR 13 2.557 3.930 -0.754
123 HG23 THR 13 HG23 THR 13 1.430 4.530 0.461
124 H ASN 14 HN ASN 14 2.222 -0.879 1.252
125 HA ASN 14 HA ASN 14 4.406 -0.700 3.197
126 HB2 ASN 14 HB2 ASN 14 1.754 -1.989 3.129
127 HB3 ASN 14 HB1 ASN 14 3.000 -2.805 4.068
128 HD21 ASN 14 HD21 ASN 14 1.107 0.113 3.735
129 HD22 ASN 14 HD22 ASN 14 1.402 0.720 5.330
130 H LYS 15 HN LYS 15 3.309 -2.740 0.562
131 HA LYS 15 HA LYS 15 5.059 -4.929 1.161
132 HB2 LYS 15 HB2 LYS 15 3.859 -4.160 -1.504
133 HB3 LYS 15 HB1 LYS 15 4.519 -5.725 -1.067
134 HG2 LYS 15 HG2 LYS 15 2.110 -4.445 0.188
135 HG3 LYS 15 HG1 LYS 15 2.070 -5.691 -1.061
136 HD2 LYS 15 HD2 LYS 15 3.614 -6.246 1.417
137 HD3 LYS 15 HD1 LYS 15 1.856 -6.282 1.514
138 HE2 LYS 15 HE2 LYS 15 2.710 -8.498 1.064
139 HE3 LYS 15 HE1 LYS 15 1.801 -7.909 -0.323
140 HZ1 LYS 15 HZ1 LYS 15 3.854 -7.411 -1.447
141 HZ2 LYS 15 HZ2 LYS 15 3.863 -9.026 -0.952
142 HZ3 LYS 15 HZ3 LYS 15 4.761 -7.877 -0.097
143 H VAL 16 HN VAL 16 5.519 -1.871 0.043
144 HA VAL 16 HA VAL 16 7.623 -2.241 -1.838
145 HB VAL 16 HB VAL 16 7.150 0.264 -0.253
146 HG11 VAL 16 HG11 VAL 16 7.760 1.351 -2.370
147 HG12 VAL 16 HG12 VAL 16 7.992 -0.236 -3.104
148 HG13 VAL 16 HG13 VAL 16 9.031 0.281 -1.776
149 HG21 VAL 16 HG21 VAL 16 4.945 -0.557 -0.900
150 HG22 VAL 16 HG22 VAL 16 5.488 -0.699 -2.576
151 HG23 VAL 16 HG23 VAL 16 5.382 0.890 -1.818
152 HA PRO 17 HA PRO 17 10.859 -2.982 1.211
153 HB2 PRO 17 HB2 PRO 17 12.590 -2.250 -1.061
154 HB3 PRO 17 HB1 PRO 17 12.600 -3.713 -0.074
155 HG2 PRO 17 HG2 PRO 17 11.694 -3.739 -2.598
156 HG3 PRO 17 HG1 PRO 17 10.954 -4.737 -1.333
157 HD2 PRO 17 HD2 PRO 17 9.985 -2.186 -2.545
158 HD3 PRO 17 HD1 PRO 17 9.066 -3.610 -2.017
159 H ILE 18 HN ILE 18 12.015 -1.611 2.492
160 HA ILE 18 HA ILE 18 11.716 1.208 1.932
161 HB ILE 18 HB ILE 18 12.965 -0.112 4.352
162 HG12 ILE 18 HG12 ILE 18 10.165 0.972 3.964
163 HG13 ILE 18 HG11 ILE 18 10.589 -0.735 4.031
164 HG21 ILE 18 HG21 ILE 18 12.604 2.054 5.436
165 HG22 ILE 18 HG22 ILE 18 11.979 2.707 3.922
166 HG23 ILE 18 HG23 ILE 18 13.666 2.206 4.035
167 HD11 ILE 18 HD11 ILE 18 11.345 -0.454 6.334
168 HD12 ILE 18 HD12 ILE 18 9.661 0.030 6.137
169 HD13 ILE 18 HD13 ILE 18 10.921 1.258 6.263
170 H LYS 19 HN LYS 19 13.102 1.200 0.094
171 HA LYS 19 HA LYS 19 15.900 0.632 0.398
172 HB2 LYS 19 HB2 LYS 19 14.440 2.077 -1.818
173 HB3 LYS 19 HB1 LYS 19 16.106 1.525 -1.886
174 HG2 LYS 19 HG2 LYS 19 13.654 -0.206 -1.651
175 HG3 LYS 19 HG1 LYS 19 14.664 0.002 -3.083
176 HD2 LYS 19 HD2 LYS 19 15.556 -1.188 -0.454
177 HD3 LYS 19 HD1 LYS 19 15.158 -2.097 -1.909
178 HE2 LYS 19 HE2 LYS 19 17.366 -0.057 -1.683
179 HE3 LYS 19 HE1 LYS 19 17.585 -1.803 -1.604
180 HZ1 LYS 19 HZ1 LYS 19 18.043 -0.829 -3.809
181 HZ2 LYS 19 HZ2 LYS 19 16.418 -0.384 -3.933
182 HZ3 LYS 19 HZ3 LYS 19 16.843 -2.017 -3.840
183 H ARG 20 HN ARG 20 14.043 3.116 1.480
184 HA ARG 20 HA ARG 20 15.970 5.232 1.003
185 HB2 ARG 20 HB2 ARG 20 13.478 5.305 2.704
186 HB3 ARG 20 HB1 ARG 20 14.437 6.685 2.211
187 HG2 ARG 20 HG2 ARG 20 12.686 6.804 0.743
188 HG3 ARG 20 HG1 ARG 20 13.855 5.882 -0.200
189 HD2 ARG 20 HD2 ARG 20 11.682 4.862 -0.408
190 HD3 ARG 20 HD1 ARG 20 12.734 3.798 0.521
191 HE ARG 20 HE ARG 20 11.335 5.399 2.329
192 HH11 ARG 20 HH11 ARG 20 10.658 2.876 -0.017
193 HH12 ARG 20 HH12 ARG 20 9.240 2.315 0.815
194 HH21 ARG 20 HH21 ARG 20 9.485 4.645 3.426
195 HH22 ARG 20 HH22 ARG 20 8.577 3.318 2.773
196 HA PRO 21 HA PRO 21 18.262 4.105 4.687
197 HB2 PRO 21 HB2 PRO 21 19.443 6.783 4.369
198 HB3 PRO 21 HB1 PRO 21 20.231 5.205 4.362
199 HG2 PRO 21 HG2 PRO 21 19.936 6.681 2.124
200 HG3 PRO 21 HG1 PRO 21 19.918 4.910 2.108
201 HD2 PRO 21 HD2 PRO 21 17.641 6.829 1.898
202 HD3 PRO 21 HD1 PRO 21 17.882 5.255 1.114
203 H SER 22 HN SER 22 17.474 4.298 6.682
204 HA SER 22 HA SER 22 16.556 5.107 8.580
205 HB2 SER 22 HB2 SER 22 17.507 7.793 7.559
206 HB3 SER 22 HB1 SER 22 17.042 7.421 9.218
207 HG SER 22 HG SER 22 18.773 5.737 9.037