Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
622864 | 5y3u RC | 36110 | 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 11.311 -6.952 4.033
2 H2 LEU 1 HT2 LEU 1 12.780 -7.777 4.140
3 H3 LEU 1 HT3 LEU 1 11.327 -8.636 4.176
4 HA LEU 1 HA LEU 1 12.399 -8.841 2.034
5 HB2 LEU 1 HB2 LEU 1 9.885 -7.164 2.024
6 HB3 LEU 1 HB1 LEU 1 10.506 -8.029 0.635
7 HG LEU 1 HG LEU 1 9.675 -9.379 3.202
8 HD11 LEU 1 HD11 LEU 1 8.135 -9.016 0.636
9 HD12 LEU 1 HD12 LEU 1 7.753 -8.280 2.192
10 HD13 LEU 1 HD13 LEU 1 7.645 -10.029 1.993
11 HD21 LEU 1 HD21 LEU 1 11.276 -10.627 1.838
12 HD22 LEU 1 HD22 LEU 1 10.222 -10.448 0.436
13 HD23 LEU 1 HD23 LEU 1 9.688 -11.394 1.825
14 H ARG 2 HN ARG 2 11.114 -5.517 2.252
15 HA ARG 2 HA ARG 2 13.610 -4.330 1.560
16 HB2 ARG 2 HB2 ARG 2 12.558 -5.330 -0.646
17 HB3 ARG 2 HB1 ARG 2 11.510 -3.920 -0.532
18 HG2 ARG 2 HG2 ARG 2 13.322 -3.393 -1.986
19 HG3 ARG 2 HG1 ARG 2 13.530 -2.486 -0.491
20 HD2 ARG 2 HD2 ARG 2 15.652 -3.408 -1.235
21 HD3 ARG 2 HD1 ARG 2 15.157 -4.144 0.287
22 HE ARG 2 HE ARG 2 14.327 -5.657 -2.000
23 HH11 ARG 2 HH11 ARG 2 17.005 -5.028 0.171
24 HH12 ARG 2 HH12 ARG 2 17.760 -6.565 -0.107
25 HH21 ARG 2 HH21 ARG 2 15.332 -7.681 -2.378
26 HH22 ARG 2 HH22 ARG 2 16.825 -8.058 -1.581
27 H LEU 3 HN LEU 3 13.351 -1.930 1.362
28 HA LEU 3 HA LEU 3 11.351 -1.072 3.231
29 HB2 LEU 3 HB2 LEU 3 13.527 -0.117 3.454
30 HB3 LEU 3 HB1 LEU 3 13.536 0.383 1.775
31 HG LEU 3 HG LEU 3 11.809 2.045 2.230
32 HD11 LEU 3 HD11 LEU 3 10.641 0.848 4.012
33 HD12 LEU 3 HD12 LEU 3 11.060 2.494 4.491
34 HD13 LEU 3 HD13 LEU 3 12.007 1.133 5.092
35 HD21 LEU 3 HD21 LEU 3 14.154 2.680 2.472
36 HD22 LEU 3 HD22 LEU 3 14.117 2.192 4.166
37 HD23 LEU 3 HD23 LEU 3 13.136 3.550 3.618
38 H ILE 4 HN ILE 4 12.231 0.158 0.030
39 HA ILE 4 HA ILE 4 10.067 1.884 -0.206
40 HB ILE 4 HB ILE 4 11.811 0.627 -2.292
41 HG12 ILE 4 HG12 ILE 4 12.860 2.144 -0.648
42 HG13 ILE 4 HG11 ILE 4 12.913 2.791 -2.284
43 HG21 ILE 4 HG21 ILE 4 9.747 1.202 -3.398
44 HG22 ILE 4 HG22 ILE 4 10.992 2.372 -3.839
45 HG23 ILE 4 HG23 ILE 4 9.759 2.802 -2.653
46 HD11 ILE 4 HD11 ILE 4 11.022 3.615 -0.095
47 HD12 ILE 4 HD12 ILE 4 11.001 4.239 -1.744
48 HD13 ILE 4 HD13 ILE 4 12.395 4.536 -0.706
49 H HIS 5 HN HIS 5 10.304 -1.505 -1.057
50 HA HIS 5 HA HIS 5 7.879 -1.501 -2.615
51 HB2 HIS 5 HB2 HIS 5 9.447 -3.848 -1.521
52 HB3 HIS 5 HB1 HIS 5 8.172 -3.933 -2.732
53 HD1 HIS 5 HD1 HIS 5 9.010 -3.973 -5.080
54 HD2 HIS 5 HD2 HIS 5 11.663 -2.109 -2.484
55 HE1 HIS 5 HE1 HIS 5 10.993 -3.331 -6.486
56 HE2 HIS 5 HE2 HIS 5 12.654 -2.363 -4.859
57 H ALA 6 HN ALA 6 8.701 -1.739 0.666
58 HA ALA 6 HA ALA 6 6.187 -2.951 1.479
59 HB1 ALA 6 HB1 ALA 6 8.409 -1.740 3.131
60 HB2 ALA 6 HB2 ALA 6 8.280 -3.447 2.703
61 HB3 ALA 6 HB3 ALA 6 7.060 -2.702 3.740
62 H VAL 7 HN VAL 7 7.879 0.094 1.425
63 HA VAL 7 HA VAL 7 6.050 1.757 2.682
64 HB VAL 7 HB VAL 7 8.058 2.228 0.494
65 HG11 VAL 7 HG11 VAL 7 6.412 3.870 0.012
66 HG12 VAL 7 HG12 VAL 7 7.707 4.683 0.903
67 HG13 VAL 7 HG13 VAL 7 6.205 4.256 1.724
68 HG21 VAL 7 HG21 VAL 7 8.937 1.773 2.686
69 HG22 VAL 7 HG22 VAL 7 7.919 3.030 3.389
70 HG23 VAL 7 HG23 VAL 7 9.216 3.465 2.272
71 H ARG 8 HN ARG 8 6.432 1.117 -0.783
72 HA ARG 8 HA ARG 8 4.187 2.645 -1.528
73 HB2 ARG 8 HB2 ARG 8 5.731 0.509 -2.978
74 HB3 ARG 8 HB1 ARG 8 4.464 1.479 -3.730
75 HG2 ARG 8 HG2 ARG 8 5.739 3.515 -3.179
76 HG3 ARG 8 HG1 ARG 8 7.026 2.507 -2.516
77 HD2 ARG 8 HD2 ARG 8 7.314 1.450 -4.712
78 HD3 ARG 8 HD1 ARG 8 6.031 2.464 -5.368
79 HE ARG 8 HE ARG 8 7.955 4.141 -4.243
80 HH11 ARG 8 HH11 ARG 8 7.627 1.910 -6.917
81 HH12 ARG 8 HH12 ARG 8 8.838 2.691 -7.880
82 HH21 ARG 8 HH21 ARG 8 9.557 5.164 -5.497
83 HH22 ARG 8 HH22 ARG 8 9.953 4.533 -7.064
84 H GLY 9 HN GLY 9 4.612 -0.779 -0.827
85 HA2 GLY 9 HA2 GLY 9 1.933 -1.483 -1.519
86 HA3 GLY 9 HA1 GLY 9 3.038 -2.451 -0.549
87 H TYR 10 HN TYR 10 3.189 0.332 0.971
88 HA TYR 10 HA TYR 10 1.149 -0.350 2.911
89 HB2 TYR 10 HB2 TYR 10 3.088 0.149 4.057
90 HB3 TYR 10 HB1 TYR 10 3.617 1.314 2.858
91 HD1 TYR 10 HD1 TYR 10 3.523 3.536 3.324
92 HD2 TYR 10 HD2 TYR 10 1.031 0.898 5.536
93 HE1 TYR 10 HE1 TYR 10 2.850 5.402 4.767
94 HE2 TYR 10 HE2 TYR 10 0.344 2.762 6.992
95 HH TYR 10 HH TYR 10 0.958 6.009 6.221
96 H TRP 11 HN TRP 11 2.137 2.615 1.106
97 HA TRP 11 HA TRP 11 -0.329 3.843 1.937
98 HB2 TRP 11 HB2 TRP 11 0.412 5.858 0.766
99 HB3 TRP 11 HB1 TRP 11 1.611 5.260 1.896
100 HD1 TRP 11 HD1 TRP 11 3.823 4.079 0.757
101 HE1 TRP 11 HE1 TRP 11 5.006 4.644 -1.459
102 HE3 TRP 11 HE3 TRP 11 0.043 6.618 -1.546
103 HZ2 TRP 11 HZ2 TRP 11 4.413 5.992 -3.862
104 HZ3 TRP 11 HZ3 TRP 11 0.432 7.524 -3.802
105 HH2 TRP 11 HH2 TRP 11 2.573 7.216 -4.935
106 H LEU 12 HN LEU 12 0.886 2.462 -1.088
107 HA LEU 12 HA LEU 12 -1.214 3.457 -2.709
108 HB2 LEU 12 HB2 LEU 12 0.494 0.992 -3.026
109 HB3 LEU 12 HB1 LEU 12 -0.611 1.588 -4.250
110 HG LEU 12 HG LEU 12 1.722 3.160 -3.171
111 HD11 LEU 12 HD11 LEU 12 2.844 2.634 -5.261
112 HD12 LEU 12 HD12 LEU 12 1.479 1.638 -5.765
113 HD13 LEU 12 HD13 LEU 12 2.462 1.152 -4.383
114 HD21 LEU 12 HD21 LEU 12 1.306 4.576 -5.131
115 HD22 LEU 12 HD22 LEU 12 -0.076 4.539 -4.036
116 HD23 LEU 12 HD23 LEU 12 -0.107 3.598 -5.527
117 H THR 13 HN THR 13 -1.037 0.886 -0.437
118 HA THR 13 HA THR 13 -3.479 -0.360 -1.409
119 HB THR 13 HB THR 13 -1.336 -1.489 -0.279
120 HG1 THR 13 HG1 THR 13 -3.202 -2.566 -1.162
121 HG21 THR 13 HG21 THR 13 -1.844 -2.119 2.054
122 HG22 THR 13 HG22 THR 13 -3.208 -0.998 2.039
123 HG23 THR 13 HG23 THR 13 -1.562 -0.387 1.876
124 H ASN 14 HN ASN 14 -2.607 2.143 0.676
125 HA ASN 14 HA ASN 14 -4.899 1.739 2.446
126 HB2 ASN 14 HB2 ASN 14 -2.254 2.875 2.739
127 HB3 ASN 14 HB1 ASN 14 -3.509 3.942 3.355
128 HD21 ASN 14 HD21 ASN 14 -1.420 2.255 4.673
129 HD22 ASN 14 HD22 ASN 14 -2.286 1.304 5.826
130 H LYS 15 HN LYS 15 -3.484 4.247 0.349
131 HA LYS 15 HA LYS 15 -5.383 6.257 0.947
132 HB2 LYS 15 HB2 LYS 15 -3.934 5.940 -1.684
133 HB3 LYS 15 HB1 LYS 15 -4.535 7.427 -0.967
134 HG2 LYS 15 HG2 LYS 15 -2.287 5.732 0.082
135 HG3 LYS 15 HG1 LYS 15 -2.122 7.272 -0.769
136 HD2 LYS 15 HD2 LYS 15 -3.364 8.383 1.044
137 HD3 LYS 15 HD1 LYS 15 -3.475 6.843 1.896
138 HE2 LYS 15 HE2 LYS 15 -1.676 8.161 2.826
139 HE3 LYS 15 HE1 LYS 15 -1.018 6.751 2.001
140 HZ1 LYS 15 HZ1 LYS 15 -0.506 8.161 0.097
141 HZ2 LYS 15 HZ2 LYS 15 0.254 8.731 1.495
142 HZ3 LYS 15 HZ3 LYS 15 -1.126 9.509 0.907
143 H VAL 16 HN VAL 16 -5.329 3.630 -1.249
144 HA VAL 16 HA VAL 16 -7.632 4.232 -2.743
145 HB VAL 16 HB VAL 16 -6.095 2.668 -3.652
146 HG11 VAL 16 HG11 VAL 16 -6.492 0.966 -1.193
147 HG12 VAL 16 HG12 VAL 16 -5.093 2.004 -1.482
148 HG13 VAL 16 HG13 VAL 16 -5.413 0.626 -2.547
149 HG21 VAL 16 HG21 VAL 16 -8.522 1.148 -2.687
150 HG22 VAL 16 HG22 VAL 16 -7.474 0.668 -4.024
151 HG23 VAL 16 HG23 VAL 16 -8.428 2.146 -4.138
152 HA PRO 17 HA PRO 17 -10.565 3.228 0.522
153 HB2 PRO 17 HB2 PRO 17 -12.757 3.733 -1.053
154 HB3 PRO 17 HB1 PRO 17 -11.886 4.972 -0.147
155 HG2 PRO 17 HG2 PRO 17 -11.739 4.285 -3.041
156 HG3 PRO 17 HG1 PRO 17 -11.638 5.867 -2.252
157 HD2 PRO 17 HD2 PRO 17 -9.463 4.521 -3.186
158 HD3 PRO 17 HD1 PRO 17 -9.394 5.644 -1.820
159 H ILE 18 HN ILE 18 -10.884 1.163 0.915
160 HA ILE 18 HA ILE 18 -11.655 -0.607 -1.303
161 HB ILE 18 HB ILE 18 -10.661 -2.462 0.021
162 HG12 ILE 18 HG12 ILE 18 -9.620 -0.221 1.771
163 HG13 ILE 18 HG11 ILE 18 -10.833 -1.404 2.242
164 HG21 ILE 18 HG21 ILE 18 -8.311 -1.859 -0.427
165 HG22 ILE 18 HG22 ILE 18 -8.806 -0.184 -0.664
166 HG23 ILE 18 HG23 ILE 18 -9.383 -1.438 -1.761
167 HD11 ILE 18 HD11 ILE 18 -7.971 -1.999 1.541
168 HD12 ILE 18 HD12 ILE 18 -9.186 -3.184 2.014
169 HD13 ILE 18 HD13 ILE 18 -8.660 -1.955 3.164
170 H LYS 19 HN LYS 19 -13.528 0.890 0.090
171 HA LYS 19 HA LYS 19 -14.750 -0.811 2.095
172 HB2 LYS 19 HB2 LYS 19 -15.613 1.816 0.872
173 HB3 LYS 19 HB1 LYS 19 -16.516 0.971 2.122
174 HG2 LYS 19 HG2 LYS 19 -13.676 1.930 2.420
175 HG3 LYS 19 HG1 LYS 19 -15.101 2.803 2.990
176 HD2 LYS 19 HD2 LYS 19 -15.667 0.977 4.475
177 HD3 LYS 19 HD1 LYS 19 -14.324 0.019 3.852
178 HE2 LYS 19 HE2 LYS 19 -13.791 1.047 6.012
179 HE3 LYS 19 HE1 LYS 19 -12.735 1.624 4.726
180 HZ1 LYS 19 HZ1 LYS 19 -13.554 3.383 6.238
181 HZ2 LYS 19 HZ2 LYS 19 -15.124 3.096 5.681
182 HZ3 LYS 19 HZ3 LYS 19 -13.939 3.654 4.615
183 H ARG 20 HN ARG 20 -14.996 -0.142 -1.265
184 HA ARG 20 HA ARG 20 -17.517 -1.217 -1.841
185 HB2 ARG 20 HB2 ARG 20 -16.592 -1.603 -4.115
186 HB3 ARG 20 HB1 ARG 20 -16.275 0.019 -3.512
187 HG2 ARG 20 HG2 ARG 20 -13.994 -0.631 -2.943
188 HG3 ARG 20 HG1 ARG 20 -14.312 -2.267 -3.523
189 HD2 ARG 20 HD2 ARG 20 -14.714 -1.410 -5.762
190 HD3 ARG 20 HD1 ARG 20 -14.459 0.239 -5.195
191 HE ARG 20 HE ARG 20 -12.197 -1.313 -4.573
192 HH11 ARG 20 HH11 ARG 20 -13.842 0.018 -7.359
193 HH12 ARG 20 HH12 ARG 20 -12.394 0.195 -8.297
194 HH21 ARG 20 HH21 ARG 20 -10.279 -1.087 -5.805
195 HH22 ARG 20 HH22 ARG 20 -10.366 -0.445 -7.413
196 HA PRO 21 HA PRO 21 -16.850 -5.478 -0.888
197 HB2 PRO 21 HB2 PRO 21 -19.017 -6.526 -2.108
198 HB3 PRO 21 HB1 PRO 21 -19.129 -5.569 -0.628
199 HG2 PRO 21 HG2 PRO 21 -19.638 -4.748 -3.455
200 HG3 PRO 21 HG1 PRO 21 -20.550 -4.344 -1.991
201 HD2 PRO 21 HD2 PRO 21 -18.750 -2.659 -3.161
202 HD3 PRO 21 HD1 PRO 21 -19.128 -2.640 -1.428
203 H SER 22 HN SER 22 -14.916 -5.385 -2.344
204 HA SER 22 HA SER 22 -15.291 -6.616 -4.943
205 HB2 SER 22 HB2 SER 22 -12.732 -5.876 -3.502
206 HB3 SER 22 HB1 SER 22 -12.880 -6.335 -5.198
207 HG SER 22 HG SER 22 -12.905 -3.948 -4.401
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 9.737 -9.010 1.550
2 H2 LEU 1 HT2 LEU 1 11.080 -8.600 0.607
3 H3 LEU 1 HT3 LEU 1 9.845 -7.474 0.852
4 HA LEU 1 HA LEU 1 10.342 -7.327 3.168
5 HB2 LEU 1 HB2 LEU 1 11.144 -9.714 3.310
6 HB3 LEU 1 HB1 LEU 1 12.647 -9.187 2.577
7 HG LEU 1 HG LEU 1 12.957 -7.624 4.517
8 HD11 LEU 1 HD11 LEU 1 11.664 -8.081 6.551
9 HD12 LEU 1 HD12 LEU 1 10.636 -9.186 5.641
10 HD13 LEU 1 HD13 LEU 1 10.649 -7.468 5.247
11 HD21 LEU 1 HD21 LEU 1 12.758 -10.566 5.135
12 HD22 LEU 1 HD22 LEU 1 13.679 -9.382 6.059
13 HD23 LEU 1 HD23 LEU 1 14.131 -9.747 4.395
14 H ARG 2 HN ARG 2 10.541 -5.391 1.737
15 HA ARG 2 HA ARG 2 13.327 -4.481 1.749
16 HB2 ARG 2 HB2 ARG 2 12.208 -5.229 -0.602
17 HB3 ARG 2 HB1 ARG 2 11.645 -3.565 -0.515
18 HG2 ARG 2 HG2 ARG 2 13.672 -3.658 -1.790
19 HG3 ARG 2 HG1 ARG 2 13.983 -2.821 -0.269
20 HD2 ARG 2 HD2 ARG 2 15.046 -4.749 0.657
21 HD3 ARG 2 HD1 ARG 2 14.551 -5.746 -0.707
22 HE ARG 2 HE ARG 2 16.035 -4.099 -2.029
23 HH11 ARG 2 HH11 ARG 2 16.661 -5.161 1.254
24 HH12 ARG 2 HH12 ARG 2 18.384 -5.056 1.089
25 HH21 ARG 2 HH21 ARG 2 18.310 -3.982 -2.244
26 HH22 ARG 2 HH22 ARG 2 19.320 -4.390 -0.893
27 H LEU 3 HN LEU 3 13.277 -1.957 1.374
28 HA LEU 3 HA LEU 3 11.375 -0.958 3.264
29 HB2 LEU 3 HB2 LEU 3 13.601 -0.064 3.328
30 HB3 LEU 3 HB1 LEU 3 13.502 0.427 1.648
31 HG LEU 3 HG LEU 3 11.836 2.112 2.196
32 HD11 LEU 3 HD11 LEU 3 12.144 1.173 5.043
33 HD12 LEU 3 HD12 LEU 3 10.723 0.937 4.021
34 HD13 LEU 3 HD13 LEU 3 11.206 2.566 4.503
35 HD21 LEU 3 HD21 LEU 3 13.234 3.592 3.557
36 HD22 LEU 3 HD22 LEU 3 14.174 2.744 2.329
37 HD23 LEU 3 HD23 LEU 3 14.238 2.216 4.010
38 H ILE 4 HN ILE 4 12.151 0.120 -0.004
39 HA ILE 4 HA ILE 4 9.999 1.869 -0.242
40 HB ILE 4 HB ILE 4 11.679 0.522 -2.330
41 HG12 ILE 4 HG12 ILE 4 12.824 2.011 -0.729
42 HG13 ILE 4 HG11 ILE 4 12.857 2.648 -2.368
43 HG21 ILE 4 HG21 ILE 4 9.678 2.747 -2.656
44 HG22 ILE 4 HG22 ILE 4 9.638 1.153 -3.413
45 HG23 ILE 4 HG23 ILE 4 10.891 2.311 -3.860
46 HD11 ILE 4 HD11 ILE 4 10.994 4.152 -1.780
47 HD12 ILE 4 HD12 ILE 4 12.441 4.425 -0.811
48 HD13 ILE 4 HD13 ILE 4 11.073 3.551 -0.124
49 H HIS 5 HN HIS 5 10.227 -1.539 -0.986
50 HA HIS 5 HA HIS 5 7.796 -1.593 -2.523
51 HB2 HIS 5 HB2 HIS 5 9.374 -3.893 -1.347
52 HB3 HIS 5 HB1 HIS 5 8.094 -4.024 -2.549
53 HD1 HIS 5 HD1 HIS 5 8.831 -3.966 -4.934
54 HD2 HIS 5 HD2 HIS 5 11.654 -2.349 -2.348
55 HE1 HIS 5 HE1 HIS 5 10.846 -3.464 -6.354
56 HE2 HIS 5 HE2 HIS 5 12.586 -2.611 -4.750
57 H ALA 6 HN ALA 6 8.660 -1.762 0.765
58 HA ALA 6 HA ALA 6 6.164 -2.937 1.645
59 HB1 ALA 6 HB1 ALA 6 8.388 -1.630 3.217
60 HB2 ALA 6 HB2 ALA 6 8.261 -3.357 2.877
61 HB3 ALA 6 HB3 ALA 6 7.048 -2.565 3.888
62 H VAL 7 HN VAL 7 7.792 0.122 1.378
63 HA VAL 7 HA VAL 7 5.935 1.764 2.669
64 HB VAL 7 HB VAL 7 7.944 2.319 0.494
65 HG11 VAL 7 HG11 VAL 7 7.624 4.735 1.067
66 HG12 VAL 7 HG12 VAL 7 6.154 4.272 1.927
67 HG13 VAL 7 HG13 VAL 7 6.285 3.995 0.186
68 HG21 VAL 7 HG21 VAL 7 8.895 1.716 2.614
69 HG22 VAL 7 HG22 VAL 7 7.885 2.900 3.443
70 HG23 VAL 7 HG23 VAL 7 9.147 3.438 2.330
71 H ARG 8 HN ARG 8 6.399 1.199 -0.816
72 HA ARG 8 HA ARG 8 4.086 2.696 -1.500
73 HB2 ARG 8 HB2 ARG 8 5.696 0.738 -3.141
74 HB3 ARG 8 HB1 ARG 8 4.499 1.861 -3.782
75 HG2 ARG 8 HG2 ARG 8 5.819 3.749 -3.020
76 HG3 ARG 8 HG1 ARG 8 6.999 2.656 -2.300
77 HD2 ARG 8 HD2 ARG 8 7.916 3.351 -4.362
78 HD3 ARG 8 HD1 ARG 8 7.346 1.705 -4.612
79 HE ARG 8 HE ARG 8 5.251 3.133 -5.459
80 HH11 ARG 8 HH11 ARG 8 8.667 3.440 -6.120
81 HH12 ARG 8 HH12 ARG 8 8.437 4.062 -7.721
82 HH21 ARG 8 HH21 ARG 8 4.940 3.979 -7.574
83 HH22 ARG 8 HH22 ARG 8 6.322 4.371 -8.545
84 H GLY 9 HN GLY 9 4.721 -0.706 -0.958
85 HA2 GLY 9 HA2 GLY 9 2.063 -1.549 -1.649
86 HA3 GLY 9 HA1 GLY 9 3.263 -2.490 -0.766
87 H TYR 10 HN TYR 10 3.230 0.289 0.845
88 HA TYR 10 HA TYR 10 1.164 -0.526 2.710
89 HB2 TYR 10 HB2 TYR 10 3.051 0.030 3.920
90 HB3 TYR 10 HB1 TYR 10 3.540 1.267 2.780
91 HD1 TYR 10 HD1 TYR 10 0.765 0.632 5.215
92 HD2 TYR 10 HD2 TYR 10 3.436 3.412 3.440
93 HE1 TYR 10 HE1 TYR 10 -0.077 2.392 6.720
94 HE2 TYR 10 HE2 TYR 10 2.612 5.180 4.930
95 HH TYR 10 HH TYR 10 0.654 4.530 7.646
96 H TRP 11 HN TRP 11 2.119 2.545 1.075
97 HA TRP 11 HA TRP 11 -0.383 3.673 1.934
98 HB2 TRP 11 HB2 TRP 11 0.384 5.777 0.988
99 HB3 TRP 11 HB1 TRP 11 1.573 5.073 2.065
100 HD1 TRP 11 HD1 TRP 11 3.854 4.182 0.925
101 HE1 TRP 11 HE1 TRP 11 5.018 4.879 -1.264
102 HE3 TRP 11 HE3 TRP 11 -0.073 6.503 -1.364
103 HZ2 TRP 11 HZ2 TRP 11 4.350 6.238 -3.646
104 HZ3 TRP 11 HZ3 TRP 11 0.274 7.490 -3.591
105 HH2 TRP 11 HH2 TRP 11 2.437 7.360 -4.708
106 H LEU 12 HN LEU 12 0.744 2.279 -1.055
107 HA LEU 12 HA LEU 12 -1.290 3.537 -2.666
108 HB2 LEU 12 HB2 LEU 12 0.453 1.111 -3.143
109 HB3 LEU 12 HB1 LEU 12 -0.668 1.761 -4.326
110 HG LEU 12 HG LEU 12 1.662 3.293 -3.174
111 HD11 LEU 12 HD11 LEU 12 1.387 1.942 -5.861
112 HD12 LEU 12 HD12 LEU 12 2.413 1.390 -4.538
113 HD13 LEU 12 HD13 LEU 12 2.743 2.933 -5.326
114 HD21 LEU 12 HD21 LEU 12 -0.236 3.861 -5.442
115 HD22 LEU 12 HD22 LEU 12 1.186 4.823 -5.035
116 HD23 LEU 12 HD23 LEU 12 -0.153 4.701 -3.894
117 H THR 13 HN THR 13 -0.987 1.030 -0.496
118 HA THR 13 HA THR 13 -3.330 -0.430 -1.264
119 HB THR 13 HB THR 13 -1.575 -0.709 1.168
120 HG1 THR 13 HG1 THR 13 -0.138 -1.791 -0.086
121 HG21 THR 13 HG21 THR 13 -3.155 -2.666 -0.452
122 HG22 THR 13 HG22 THR 13 -3.590 -2.046 1.138
123 HG23 THR 13 HG23 THR 13 -2.154 -3.050 0.941
124 H ASN 14 HN ASN 14 -2.521 2.255 0.727
125 HA ASN 14 HA ASN 14 -4.760 1.780 2.562
126 HB2 ASN 14 HB2 ASN 14 -2.282 3.424 2.720
127 HB3 ASN 14 HB1 ASN 14 -3.691 3.930 3.636
128 HD21 ASN 14 HD21 ASN 14 -2.915 0.587 2.985
129 HD22 ASN 14 HD22 ASN 14 -2.517 0.163 4.609
130 H LYS 15 HN LYS 15 -3.409 4.493 0.665
131 HA LYS 15 HA LYS 15 -5.363 6.375 1.313
132 HB2 LYS 15 HB2 LYS 15 -3.890 6.254 -1.306
133 HB3 LYS 15 HB1 LYS 15 -4.528 7.681 -0.495
134 HG2 LYS 15 HG2 LYS 15 -2.938 7.016 1.422
135 HG3 LYS 15 HG1 LYS 15 -2.151 6.020 0.191
136 HD2 LYS 15 HD2 LYS 15 -1.792 7.970 -1.193
137 HD3 LYS 15 HD1 LYS 15 -2.690 8.969 -0.051
138 HE2 LYS 15 HE2 LYS 15 -0.990 8.469 1.672
139 HE3 LYS 15 HE1 LYS 15 -0.081 7.552 0.477
140 HZ1 LYS 15 HZ1 LYS 15 0.805 9.770 0.713
141 HZ2 LYS 15 HZ2 LYS 15 -0.696 10.448 0.337
142 HZ3 LYS 15 HZ3 LYS 15 0.150 9.575 -0.833
143 H VAL 16 HN VAL 16 -5.279 3.983 -1.170
144 HA VAL 16 HA VAL 16 -7.519 4.658 -2.672
145 HB VAL 16 HB VAL 16 -6.056 3.026 -3.532
146 HG11 VAL 16 HG11 VAL 16 -6.541 1.398 -1.040
147 HG12 VAL 16 HG12 VAL 16 -5.084 2.335 -1.389
148 HG13 VAL 16 HG13 VAL 16 -5.508 0.941 -2.394
149 HG21 VAL 16 HG21 VAL 16 -7.495 1.015 -3.848
150 HG22 VAL 16 HG22 VAL 16 -8.326 2.541 -4.147
151 HG23 VAL 16 HG23 VAL 16 -8.596 1.674 -2.637
152 HA PRO 17 HA PRO 17 -10.613 3.855 0.536
153 HB2 PRO 17 HB2 PRO 17 -12.702 4.802 -0.926
154 HB3 PRO 17 HB1 PRO 17 -11.595 5.850 -0.035
155 HG2 PRO 17 HG2 PRO 17 -11.628 5.169 -2.947
156 HG3 PRO 17 HG1 PRO 17 -11.346 6.736 -2.167
157 HD2 PRO 17 HD2 PRO 17 -9.328 5.198 -3.108
158 HD3 PRO 17 HD1 PRO 17 -9.151 6.241 -1.688
159 H ILE 18 HN ILE 18 -11.203 1.811 0.783
160 HA ILE 18 HA ILE 18 -12.677 0.498 -1.396
161 HB ILE 18 HB ILE 18 -11.655 -1.681 -0.721
162 HG12 ILE 18 HG12 ILE 18 -9.726 0.089 0.800
163 HG13 ILE 18 HG11 ILE 18 -10.900 -1.005 1.522
164 HG21 ILE 18 HG21 ILE 18 -10.884 -0.544 -2.709
165 HG22 ILE 18 HG22 ILE 18 -9.524 -1.316 -1.895
166 HG23 ILE 18 HG23 ILE 18 -9.766 0.424 -1.753
167 HD11 ILE 18 HD11 ILE 18 -8.554 -1.790 -0.190
168 HD12 ILE 18 HD12 ILE 18 -9.747 -2.902 0.484
169 HD13 ILE 18 HD13 ILE 18 -8.694 -1.982 1.558
170 H LYS 19 HN LYS 19 -13.839 1.858 0.725
171 HA LYS 19 HA LYS 19 -14.734 -0.218 2.579
172 HB2 LYS 19 HB2 LYS 19 -15.296 2.746 2.501
173 HB3 LYS 19 HB1 LYS 19 -15.959 1.645 3.699
174 HG2 LYS 19 HG2 LYS 19 -13.699 1.105 4.459
175 HG3 LYS 19 HG1 LYS 19 -13.032 2.212 3.257
176 HD2 LYS 19 HD2 LYS 19 -14.133 4.086 4.318
177 HD3 LYS 19 HD1 LYS 19 -14.933 3.005 5.460
178 HE2 LYS 19 HE2 LYS 19 -13.028 4.094 6.503
179 HE3 LYS 19 HE1 LYS 19 -12.754 2.359 6.370
180 HZ1 LYS 19 HZ1 LYS 19 -10.797 3.640 5.767
181 HZ2 LYS 19 HZ2 LYS 19 -11.652 4.417 4.536
182 HZ3 LYS 19 HZ3 LYS 19 -11.365 2.752 4.448
183 H ARG 20 HN ARG 20 -15.719 1.444 -0.247
184 HA ARG 20 HA ARG 20 -18.482 0.553 -0.010
185 HB2 ARG 20 HB2 ARG 20 -17.055 2.089 -2.194
186 HB3 ARG 20 HB1 ARG 20 -18.760 1.688 -2.209
187 HG2 ARG 20 HG2 ARG 20 -19.144 3.031 -0.252
188 HG3 ARG 20 HG1 ARG 20 -17.421 3.365 -0.136
189 HD2 ARG 20 HD2 ARG 20 -18.625 5.238 -1.139
190 HD3 ARG 20 HD1 ARG 20 -17.475 4.527 -2.269
191 HE ARG 20 HE ARG 20 -19.774 3.247 -2.870
192 HH11 ARG 20 HH11 ARG 20 -18.982 6.637 -2.502
193 HH12 ARG 20 HH12 ARG 20 -20.150 7.167 -3.670
194 HH21 ARG 20 HH21 ARG 20 -21.310 3.938 -4.404
195 HH22 ARG 20 HH22 ARG 20 -21.467 5.630 -4.763
196 HA PRO 21 HA PRO 21 -17.658 -3.084 -2.392
197 HB2 PRO 21 HB2 PRO 21 -20.295 -3.236 -3.499
198 HB3 PRO 21 HB1 PRO 21 -19.652 -4.103 -2.106
199 HG2 PRO 21 HG2 PRO 21 -21.611 -2.158 -1.992
200 HG3 PRO 21 HG1 PRO 21 -20.595 -2.657 -0.630
201 HD2 PRO 21 HD2 PRO 21 -20.354 -0.270 -2.403
202 HD3 PRO 21 HD1 PRO 21 -20.026 -0.429 -0.667
203 H SER 22 HN SER 22 -17.329 -0.427 -3.719
204 HA SER 22 HA SER 22 -17.643 -1.331 -6.498
205 HB2 SER 22 HB2 SER 22 -17.699 1.117 -7.091
206 HB3 SER 22 HB1 SER 22 -19.088 0.562 -6.159
207 HG SER 22 HG SER 22 -16.802 1.775 -4.999
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 12.216 -8.415 0.241
2 H2 LEU 1 HT2 LEU 1 11.056 -9.474 0.864
3 H3 LEU 1 HT3 LEU 1 12.310 -8.915 1.851
4 HA LEU 1 HA LEU 1 10.148 -7.277 0.690
5 HB2 LEU 1 HB2 LEU 1 9.456 -8.737 2.562
6 HB3 LEU 1 HB1 LEU 1 10.727 -8.048 3.553
7 HG LEU 1 HG LEU 1 9.611 -5.826 3.355
8 HD11 LEU 1 HD11 LEU 1 7.416 -7.434 2.061
9 HD12 LEU 1 HD12 LEU 1 8.395 -6.189 1.287
10 HD13 LEU 1 HD13 LEU 1 7.289 -5.757 2.589
11 HD21 LEU 1 HD21 LEU 1 7.790 -6.349 4.905
12 HD22 LEU 1 HD22 LEU 1 9.265 -7.226 5.310
13 HD23 LEU 1 HD23 LEU 1 7.940 -8.059 4.499
14 H ARG 2 HN ARG 2 11.104 -5.446 0.040
15 HA ARG 2 HA ARG 2 13.459 -4.420 1.381
16 HB2 ARG 2 HB2 ARG 2 11.841 -3.405 -0.946
17 HB3 ARG 2 HB1 ARG 2 13.224 -2.552 -0.295
18 HG2 ARG 2 HG2 ARG 2 13.202 -5.241 -1.627
19 HG3 ARG 2 HG1 ARG 2 13.895 -3.728 -2.219
20 HD2 ARG 2 HD2 ARG 2 15.501 -3.748 -0.370
21 HD3 ARG 2 HD1 ARG 2 14.820 -5.272 0.198
22 HE ARG 2 HE ARG 2 15.524 -5.742 -2.406
23 HH11 ARG 2 HH11 ARG 2 17.195 -4.662 0.466
24 HH12 ARG 2 HH12 ARG 2 18.721 -5.328 -0.017
25 HH21 ARG 2 HH21 ARG 2 17.538 -6.636 -3.042
26 HH22 ARG 2 HH22 ARG 2 18.915 -6.457 -2.001
27 H LEU 3 HN LEU 3 13.334 -1.812 1.414
28 HA LEU 3 HA LEU 3 11.341 -1.130 3.370
29 HB2 LEU 3 HB2 LEU 3 13.549 -0.234 3.660
30 HB3 LEU 3 HB1 LEU 3 13.541 0.433 2.040
31 HG LEU 3 HG LEU 3 11.846 2.061 2.682
32 HD11 LEU 3 HD11 LEU 3 10.649 0.725 4.323
33 HD12 LEU 3 HD12 LEU 3 11.128 2.282 4.998
34 HD13 LEU 3 HD13 LEU 3 12.026 0.825 5.423
35 HD21 LEU 3 HD21 LEU 3 14.164 1.972 4.608
36 HD22 LEU 3 HD22 LEU 3 13.190 3.394 4.231
37 HD23 LEU 3 HD23 LEU 3 14.190 2.652 2.982
38 H ILE 4 HN ILE 4 12.212 -0.009 0.122
39 HA ILE 4 HA ILE 4 10.099 1.910 0.074
40 HB ILE 4 HB ILE 4 11.982 0.914 -2.033
41 HG12 ILE 4 HG12 ILE 4 12.901 2.281 -0.202
42 HG13 ILE 4 HG11 ILE 4 13.000 3.110 -1.751
43 HG21 ILE 4 HG21 ILE 4 9.887 3.061 -2.306
44 HG22 ILE 4 HG22 ILE 4 9.966 1.540 -3.198
45 HG23 ILE 4 HG23 ILE 4 11.198 2.777 -3.451
46 HD11 ILE 4 HD11 ILE 4 10.987 3.618 0.426
47 HD12 ILE 4 HD12 ILE 4 11.007 4.417 -1.145
48 HD13 ILE 4 HD13 ILE 4 12.344 4.651 -0.021
49 H HIS 5 HN HIS 5 10.459 -1.366 -0.997
50 HA HIS 5 HA HIS 5 8.083 -1.333 -2.634
51 HB2 HIS 5 HB2 HIS 5 9.716 -3.667 -1.620
52 HB3 HIS 5 HB1 HIS 5 8.443 -3.762 -2.834
53 HD1 HIS 5 HD1 HIS 5 9.179 -3.478 -5.206
54 HD2 HIS 5 HD2 HIS 5 11.951 -2.017 -2.481
55 HE1 HIS 5 HE1 HIS 5 11.158 -2.755 -6.580
56 HE2 HIS 5 HE2 HIS 5 12.891 -2.034 -4.898
57 H ALA 6 HN ALA 6 8.854 -1.721 0.643
58 HA ALA 6 HA ALA 6 6.364 -3.014 1.368
59 HB1 ALA 6 HB1 ALA 6 8.505 -1.744 3.077
60 HB2 ALA 6 HB2 ALA 6 8.434 -3.451 2.632
61 HB3 ALA 6 HB3 ALA 6 7.173 -2.750 3.654
62 H VAL 7 HN VAL 7 7.918 0.100 1.353
63 HA VAL 7 HA VAL 7 5.988 1.649 2.606
64 HB VAL 7 HB VAL 7 8.054 2.247 0.511
65 HG11 VAL 7 HG11 VAL 7 6.044 4.175 1.656
66 HG12 VAL 7 HG12 VAL 7 6.353 3.805 -0.050
67 HG13 VAL 7 HG13 VAL 7 7.559 4.674 0.905
68 HG21 VAL 7 HG21 VAL 7 9.034 3.558 2.356
69 HG22 VAL 7 HG22 VAL 7 8.863 1.844 2.734
70 HG23 VAL 7 HG23 VAL 7 7.721 3.012 3.401
71 H ARG 8 HN ARG 8 6.472 1.091 -0.867
72 HA ARG 8 HA ARG 8 4.199 2.547 -1.659
73 HB2 ARG 8 HB2 ARG 8 5.745 0.400 -3.101
74 HB3 ARG 8 HB1 ARG 8 4.561 1.462 -3.857
75 HG2 ARG 8 HG2 ARG 8 5.919 3.402 -3.289
76 HG3 ARG 8 HG1 ARG 8 7.094 2.358 -2.490
77 HD2 ARG 8 HD2 ARG 8 7.861 2.947 -4.721
78 HD3 ARG 8 HD1 ARG 8 7.521 1.219 -4.624
79 HE ARG 8 HE ARG 8 5.293 2.746 -5.588
80 HH11 ARG 8 HH11 ARG 8 8.299 1.219 -6.532
81 HH12 ARG 8 HH12 ARG 8 7.825 1.029 -8.189
82 HH21 ARG 8 HH21 ARG 8 4.675 2.503 -7.766
83 HH22 ARG 8 HH22 ARG 8 5.768 1.765 -8.894
84 H GLY 9 HN GLY 9 4.718 -0.873 -1.014
85 HA2 GLY 9 HA2 GLY 9 2.044 -1.657 -1.662
86 HA3 GLY 9 HA1 GLY 9 3.219 -2.608 -0.759
87 H TYR 10 HN TYR 10 3.225 0.208 0.801
88 HA TYR 10 HA TYR 10 1.155 -0.553 2.683
89 HB2 TYR 10 HB2 TYR 10 3.061 -0.045 3.868
90 HB3 TYR 10 HB1 TYR 10 3.564 1.192 2.729
91 HD1 TYR 10 HD1 TYR 10 0.680 0.624 5.063
92 HD2 TYR 10 HD2 TYR 10 3.602 3.287 3.504
93 HE1 TYR 10 HE1 TYR 10 -0.107 2.379 6.601
94 HE2 TYR 10 HE2 TYR 10 2.823 5.055 5.027
95 HH TYR 10 HH TYR 10 0.725 5.619 6.273
96 H TRP 11 HN TRP 11 2.133 2.434 0.904
97 HA TRP 11 HA TRP 11 -0.273 3.685 1.868
98 HB2 TRP 11 HB2 TRP 11 0.480 5.716 0.721
99 HB3 TRP 11 HB1 TRP 11 1.682 5.067 1.822
100 HD1 TRP 11 HD1 TRP 11 3.892 4.007 0.693
101 HE1 TRP 11 HE1 TRP 11 5.033 4.519 -1.550
102 HE3 TRP 11 HE3 TRP 11 0.005 6.322 -1.667
103 HZ2 TRP 11 HZ2 TRP 11 4.369 5.746 -4.010
104 HZ3 TRP 11 HZ3 TRP 11 0.339 7.145 -3.961
105 HH2 TRP 11 HH2 TRP 11 2.476 6.863 -5.107
106 H LEU 12 HN LEU 12 0.613 2.126 -1.126
107 HA LEU 12 HA LEU 12 -1.404 3.408 -2.698
108 HB2 LEU 12 HB2 LEU 12 0.006 0.757 -3.039
109 HB3 LEU 12 HB1 LEU 12 -1.055 1.475 -4.239
110 HG LEU 12 HG LEU 12 1.475 2.785 -3.235
111 HD11 LEU 12 HD11 LEU 12 0.995 1.204 -5.767
112 HD12 LEU 12 HD12 LEU 12 2.009 0.711 -4.410
113 HD13 LEU 12 HD13 LEU 12 2.455 2.114 -5.381
114 HD21 LEU 12 HD21 LEU 12 1.175 4.191 -5.228
115 HD22 LEU 12 HD22 LEU 12 -0.167 4.337 -4.094
116 HD23 LEU 12 HD23 LEU 12 -0.354 3.375 -5.561
117 H THR 13 HN THR 13 -1.242 0.886 -0.445
118 HA THR 13 HA THR 13 -3.723 -0.402 -1.011
119 HB THR 13 HB THR 13 -2.515 -0.720 1.636
120 HG1 THR 13 HG1 THR 13 -0.545 -1.538 0.781
121 HG21 THR 13 HG21 THR 13 -2.791 -2.610 -0.680
122 HG22 THR 13 HG22 THR 13 -4.048 -2.323 0.527
123 HG23 THR 13 HG23 THR 13 -2.502 -3.031 1.007
124 H ASN 14 HN ASN 14 -2.660 2.274 0.902
125 HA ASN 14 HA ASN 14 -5.120 2.238 2.489
126 HB2 ASN 14 HB2 ASN 14 -2.437 3.461 2.905
127 HB3 ASN 14 HB1 ASN 14 -3.837 4.083 3.764
128 HD21 ASN 14 HD21 ASN 14 -1.663 1.406 3.386
129 HD22 ASN 14 HD22 ASN 14 -2.163 0.547 4.803
130 H LYS 15 HN LYS 15 -3.305 4.292 0.248
131 HA LYS 15 HA LYS 15 -4.732 6.671 0.698
132 HB2 LYS 15 HB2 LYS 15 -3.861 7.437 -1.451
133 HB3 LYS 15 HB1 LYS 15 -2.610 6.647 -0.511
134 HG2 LYS 15 HG2 LYS 15 -2.223 5.820 -2.618
135 HG3 LYS 15 HG1 LYS 15 -3.234 4.555 -1.917
136 HD2 LYS 15 HD2 LYS 15 -5.208 5.627 -2.978
137 HD3 LYS 15 HD1 LYS 15 -4.116 6.764 -3.773
138 HE2 LYS 15 HE2 LYS 15 -2.992 4.901 -4.890
139 HE3 LYS 15 HE1 LYS 15 -4.079 3.764 -4.091
140 HZ1 LYS 15 HZ1 LYS 15 -4.849 5.861 -6.043
141 HZ2 LYS 15 HZ2 LYS 15 -5.942 4.870 -5.221
142 HZ3 LYS 15 HZ3 LYS 15 -4.843 4.194 -6.310
143 H VAL 16 HN VAL 16 -5.500 3.867 -1.090
144 HA VAL 16 HA VAL 16 -7.640 4.808 -2.637
145 HB VAL 16 HB VAL 16 -6.742 2.676 -3.178
146 HG11 VAL 16 HG11 VAL 16 -5.819 2.182 -0.929
147 HG12 VAL 16 HG12 VAL 16 -6.646 0.798 -1.653
148 HG13 VAL 16 HG13 VAL 16 -7.442 1.743 -0.394
149 HG21 VAL 16 HG21 VAL 16 -9.139 2.813 -3.532
150 HG22 VAL 16 HG22 VAL 16 -9.438 2.280 -1.877
151 HG23 VAL 16 HG23 VAL 16 -8.700 1.176 -3.040
152 HA PRO 17 HA PRO 17 -10.355 5.586 0.877
153 HB2 PRO 17 HB2 PRO 17 -12.396 6.592 -0.643
154 HB3 PRO 17 HB1 PRO 17 -11.014 7.550 -0.105
155 HG2 PRO 17 HG2 PRO 17 -11.520 6.275 -2.756
156 HG3 PRO 17 HG1 PRO 17 -10.800 7.852 -2.388
157 HD2 PRO 17 HD2 PRO 17 -9.316 5.689 -3.071
158 HD3 PRO 17 HD1 PRO 17 -8.722 6.945 -1.975
159 H ILE 18 HN ILE 18 -11.270 3.837 1.694
160 HA ILE 18 HA ILE 18 -12.745 2.003 -0.022
161 HB ILE 18 HB ILE 18 -12.859 0.555 2.017
162 HG12 ILE 18 HG12 ILE 18 -11.071 2.708 3.175
163 HG13 ILE 18 HG11 ILE 18 -12.692 2.299 3.722
164 HG21 ILE 18 HG21 ILE 18 -10.121 1.434 1.111
165 HG22 ILE 18 HG22 ILE 18 -11.139 0.211 0.351
166 HG23 ILE 18 HG23 ILE 18 -10.477 -0.070 1.961
167 HD11 ILE 18 HD11 ILE 18 -10.273 0.515 3.867
168 HD12 ILE 18 HD12 ILE 18 -11.899 0.088 4.398
169 HD13 ILE 18 HD13 ILE 18 -11.018 1.383 5.208
170 H LYS 19 HN LYS 19 -13.889 4.480 0.338
171 HA LYS 19 HA LYS 19 -16.001 4.230 2.311
172 HB2 LYS 19 HB2 LYS 19 -15.366 6.371 0.275
173 HB3 LYS 19 HB1 LYS 19 -16.730 6.446 1.382
174 HG2 LYS 19 HG2 LYS 19 -13.835 6.303 2.199
175 HG3 LYS 19 HG1 LYS 19 -14.822 7.768 2.161
176 HD2 LYS 19 HD2 LYS 19 -16.368 6.712 3.785
177 HD3 LYS 19 HD1 LYS 19 -15.283 5.324 3.870
178 HE2 LYS 19 HE2 LYS 19 -13.480 6.844 4.635
179 HE3 LYS 19 HE1 LYS 19 -14.647 8.165 4.654
180 HZ1 LYS 19 HZ1 LYS 19 -14.375 7.209 6.847
181 HZ2 LYS 19 HZ2 LYS 19 -14.817 5.684 6.272
182 HZ3 LYS 19 HZ3 LYS 19 -15.948 6.940 6.285
183 H ARG 20 HN ARG 20 -15.445 3.325 -0.882
184 HA ARG 20 HA ARG 20 -18.233 3.417 -1.679
185 HB2 ARG 20 HB2 ARG 20 -16.009 2.117 -3.228
186 HB3 ARG 20 HB1 ARG 20 -17.488 2.834 -3.833
187 HG2 ARG 20 HG2 ARG 20 -15.100 4.293 -2.734
188 HG3 ARG 20 HG1 ARG 20 -15.617 4.219 -4.418
189 HD2 ARG 20 HD2 ARG 20 -17.179 5.457 -2.155
190 HD3 ARG 20 HD1 ARG 20 -16.224 6.342 -3.340
191 HE ARG 20 HE ARG 20 -18.263 4.651 -4.482
192 HH11 ARG 20 HH11 ARG 20 -17.489 7.820 -3.216
193 HH12 ARG 20 HH12 ARG 20 -18.793 8.615 -4.041
194 HH21 ARG 20 HH21 ARG 20 -19.986 5.694 -5.579
195 HH22 ARG 20 HH22 ARG 20 -20.208 7.404 -5.391
196 HA PRO 21 HA PRO 21 -18.869 -0.888 -0.551
197 HB2 PRO 21 HB2 PRO 21 -20.814 -1.217 -2.682
198 HB3 PRO 21 HB1 PRO 21 -21.092 -1.104 -0.944
199 HG2 PRO 21 HG2 PRO 21 -21.852 0.825 -2.708
200 HG3 PRO 21 HG1 PRO 21 -21.441 1.154 -1.017
201 HD2 PRO 21 HD2 PRO 21 -19.781 1.532 -3.478
202 HD3 PRO 21 HD1 PRO 21 -19.945 2.579 -2.054
203 H SER 22 HN SER 22 -16.661 -0.513 -2.128
204 HA SER 22 HA SER 22 -16.859 -2.597 -4.191
205 HB2 SER 22 HB2 SER 22 -14.817 -0.367 -4.014
206 HB3 SER 22 HB1 SER 22 -15.049 -1.491 -5.353
207 HG SER 22 HG SER 22 -17.375 -0.437 -5.068
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 14.095 -7.439 4.970
2 H2 LEU 1 HT2 LEU 1 14.299 -8.029 3.402
3 H3 LEU 1 HT3 LEU 1 13.301 -8.850 4.490
4 HA LEU 1 HA LEU 1 12.006 -7.610 2.889
5 HB2 LEU 1 HB2 LEU 1 11.139 -7.952 5.169
6 HB3 LEU 1 HB1 LEU 1 11.921 -6.474 5.690
7 HG LEU 1 HG LEU 1 10.454 -5.177 4.191
8 HD11 LEU 1 HD11 LEU 1 8.517 -6.276 3.158
9 HD12 LEU 1 HD12 LEU 1 9.164 -7.845 3.642
10 HD13 LEU 1 HD13 LEU 1 10.043 -6.847 2.484
11 HD21 LEU 1 HD21 LEU 1 9.824 -5.564 6.528
12 HD22 LEU 1 HD22 LEU 1 8.956 -7.021 6.047
13 HD23 LEU 1 HD23 LEU 1 8.412 -5.443 5.479
14 H ARG 2 HN ARG 2 12.075 -5.981 1.492
15 HA ARG 2 HA ARG 2 14.046 -3.910 1.794
16 HB2 ARG 2 HB2 ARG 2 13.207 -5.108 -0.382
17 HB3 ARG 2 HB1 ARG 2 11.926 -3.902 -0.321
18 HG2 ARG 2 HG2 ARG 2 13.668 -3.144 -1.785
19 HG3 ARG 2 HG1 ARG 2 13.623 -2.127 -0.348
20 HD2 ARG 2 HD2 ARG 2 15.913 -2.592 -0.887
21 HD3 ARG 2 HD1 ARG 2 15.498 -3.464 0.585
22 HE ARG 2 HE ARG 2 15.131 -5.074 -1.738
23 HH11 ARG 2 HH11 ARG 2 17.539 -3.866 0.494
24 HH12 ARG 2 HH12 ARG 2 18.664 -5.146 0.178
25 HH21 ARG 2 HH21 ARG 2 16.607 -6.779 -2.150
26 HH22 ARG 2 HH22 ARG 2 18.129 -6.806 -1.320
27 H LEU 3 HN LEU 3 13.414 -1.572 1.432
28 HA LEU 3 HA LEU 3 11.314 -0.969 3.317
29 HB2 LEU 3 HB2 LEU 3 13.417 0.184 3.574
30 HB3 LEU 3 HB1 LEU 3 13.335 0.767 1.924
31 HG LEU 3 HG LEU 3 11.454 2.200 2.474
32 HD11 LEU 3 HD11 LEU 3 10.402 0.788 4.156
33 HD12 LEU 3 HD12 LEU 3 10.667 2.421 4.769
34 HD13 LEU 3 HD13 LEU 3 11.734 1.110 5.269
35 HD21 LEU 3 HD21 LEU 3 13.720 2.476 4.445
36 HD22 LEU 3 HD22 LEU 3 12.596 3.751 3.978
37 HD23 LEU 3 HD23 LEU 3 13.708 3.078 2.787
38 H ILE 4 HN ILE 4 12.182 0.355 0.160
39 HA ILE 4 HA ILE 4 9.906 1.897 -0.159
40 HB ILE 4 HB ILE 4 11.847 0.787 -2.147
41 HG12 ILE 4 HG12 ILE 4 12.618 2.426 -0.454
42 HG13 ILE 4 HG11 ILE 4 12.738 3.044 -2.101
43 HG21 ILE 4 HG21 ILE 4 9.822 1.123 -3.392
44 HG22 ILE 4 HG22 ILE 4 10.943 2.435 -3.763
45 HG23 ILE 4 HG23 ILE 4 9.591 2.713 -2.664
46 HD11 ILE 4 HD11 ILE 4 11.922 4.758 -0.621
47 HD12 ILE 4 HD12 ILE 4 10.610 3.712 -0.084
48 HD13 ILE 4 HD13 ILE 4 10.650 4.294 -1.749
49 H HIS 5 HN HIS 5 10.375 -1.481 -0.959
50 HA HIS 5 HA HIS 5 8.044 -1.635 -2.636
51 HB2 HIS 5 HB2 HIS 5 9.624 -3.863 -1.333
52 HB3 HIS 5 HB1 HIS 5 8.402 -4.069 -2.586
53 HD1 HIS 5 HD1 HIS 5 9.238 -4.013 -4.941
54 HD2 HIS 5 HD2 HIS 5 11.893 -2.287 -2.257
55 HE1 HIS 5 HE1 HIS 5 11.278 -3.432 -6.289
56 HE2 HIS 5 HE2 HIS 5 12.945 -2.585 -4.607
57 H ALA 6 HN ALA 6 8.711 -1.847 0.713
58 HA ALA 6 HA ALA 6 6.156 -3.036 1.391
59 HB1 ALA 6 HB1 ALA 6 6.921 -2.804 3.692
60 HB2 ALA 6 HB2 ALA 6 8.299 -1.840 3.153
61 HB3 ALA 6 HB3 ALA 6 8.185 -3.544 2.706
62 H VAL 7 HN VAL 7 7.819 0.006 1.323
63 HA VAL 7 HA VAL 7 5.986 1.657 2.603
64 HB VAL 7 HB VAL 7 8.010 2.150 0.438
65 HG11 VAL 7 HG11 VAL 7 6.134 4.160 1.665
66 HG12 VAL 7 HG12 VAL 7 6.393 3.808 -0.051
67 HG13 VAL 7 HG13 VAL 7 7.657 4.603 0.891
68 HG21 VAL 7 HG21 VAL 7 7.840 2.904 3.343
69 HG22 VAL 7 HG22 VAL 7 9.135 3.390 2.248
70 HG23 VAL 7 HG23 VAL 7 8.890 1.684 2.621
71 H ARG 8 HN ARG 8 6.377 1.057 -0.882
72 HA ARG 8 HA ARG 8 4.123 2.606 -1.594
73 HB2 ARG 8 HB2 ARG 8 5.572 0.464 -3.140
74 HB3 ARG 8 HB1 ARG 8 4.410 1.593 -3.827
75 HG2 ARG 8 HG2 ARG 8 5.865 3.452 -3.218
76 HG3 ARG 8 HG1 ARG 8 7.030 2.321 -2.525
77 HD2 ARG 8 HD2 ARG 8 6.187 2.577 -5.403
78 HD3 ARG 8 HD1 ARG 8 7.779 2.900 -4.725
79 HE ARG 8 HE ARG 8 6.816 0.187 -4.417
80 HH11 ARG 8 HH11 ARG 8 8.738 2.409 -6.319
81 HH12 ARG 8 HH12 ARG 8 9.568 1.152 -7.181
82 HH21 ARG 8 HH21 ARG 8 7.871 -1.464 -5.563
83 HH22 ARG 8 HH22 ARG 8 9.062 -1.061 -6.759
84 H GLY 9 HN GLY 9 4.578 -0.804 -0.903
85 HA2 GLY 9 HA2 GLY 9 1.889 -1.543 -1.571
86 HA3 GLY 9 HA1 GLY 9 3.035 -2.507 -0.645
87 H TYR 10 HN TYR 10 3.142 0.307 0.880
88 HA TYR 10 HA TYR 10 1.099 -0.401 2.813
89 HB2 TYR 10 HB2 TYR 10 3.050 0.070 3.948
90 HB3 TYR 10 HB1 TYR 10 3.557 1.280 2.784
91 HD1 TYR 10 HD1 TYR 10 3.640 3.402 3.501
92 HD2 TYR 10 HD2 TYR 10 0.780 0.800 5.259
93 HE1 TYR 10 HE1 TYR 10 2.948 5.209 5.012
94 HE2 TYR 10 HE2 TYR 10 0.071 2.598 6.783
95 HH TYR 10 HH TYR 10 0.844 4.649 7.702
96 H TRP 11 HN TRP 11 2.118 2.583 1.062
97 HA TRP 11 HA TRP 11 -0.301 3.855 1.965
98 HB2 TRP 11 HB2 TRP 11 0.531 5.891 0.918
99 HB3 TRP 11 HB1 TRP 11 1.730 5.164 1.974
100 HD1 TRP 11 HD1 TRP 11 3.899 4.053 0.738
101 HE1 TRP 11 HE1 TRP 11 5.005 4.650 -1.515
102 HE3 TRP 11 HE3 TRP 11 0.044 6.628 -1.385
103 HZ2 TRP 11 HZ2 TRP 11 4.325 6.037 -3.867
104 HZ3 TRP 11 HZ3 TRP 11 0.351 7.573 -3.639
105 HH2 TRP 11 HH2 TRP 11 2.450 7.279 -4.854
106 H LEU 12 HN LEU 12 0.687 2.310 -1.004
107 HA LEU 12 HA LEU 12 -1.360 3.578 -2.595
108 HB2 LEU 12 HB2 LEU 12 0.362 1.142 -3.071
109 HB3 LEU 12 HB1 LEU 12 -0.794 1.759 -4.237
110 HG LEU 12 HG LEU 12 1.588 3.296 -3.202
111 HD11 LEU 12 HD11 LEU 12 2.547 2.900 -5.411
112 HD12 LEU 12 HD12 LEU 12 1.164 1.896 -5.844
113 HD13 LEU 12 HD13 LEU 12 2.264 1.379 -4.566
114 HD21 LEU 12 HD21 LEU 12 1.041 4.815 -5.054
115 HD22 LEU 12 HD22 LEU 12 -0.245 4.720 -3.850
116 HD23 LEU 12 HD23 LEU 12 -0.409 3.865 -5.385
117 H THR 13 HN THR 13 -0.974 0.946 -0.518
118 HA THR 13 HA THR 13 -3.375 -0.436 -1.256
119 HB THR 13 HB THR 13 -1.374 -0.819 0.975
120 HG1 THR 13 HG1 THR 13 -0.261 -2.076 -0.424
121 HG21 THR 13 HG21 THR 13 -3.335 -2.727 -0.235
122 HG22 THR 13 HG22 THR 13 -3.467 -1.970 1.349
123 HG23 THR 13 HG23 THR 13 -2.153 -3.096 1.018
124 H ASN 14 HN ASN 14 -2.622 2.265 0.501
125 HA ASN 14 HA ASN 14 -4.538 1.787 2.664
126 HB2 ASN 14 HB2 ASN 14 -2.053 3.088 2.487
127 HB3 ASN 14 HB1 ASN 14 -3.258 4.327 2.798
128 HD21 ASN 14 HD21 ASN 14 -1.676 1.502 4.002
129 HD22 ASN 14 HD22 ASN 14 -2.239 1.621 5.632
130 H LYS 15 HN LYS 15 -3.754 4.187 0.161
131 HA LYS 15 HA LYS 15 -5.857 5.979 0.578
132 HB2 LYS 15 HB2 LYS 15 -4.688 5.198 -2.100
133 HB3 LYS 15 HB1 LYS 15 -5.508 6.702 -1.715
134 HG2 LYS 15 HG2 LYS 15 -2.890 5.788 -0.559
135 HG3 LYS 15 HG1 LYS 15 -3.084 6.965 -1.858
136 HD2 LYS 15 HD2 LYS 15 -4.475 8.332 -0.259
137 HD3 LYS 15 HD1 LYS 15 -3.958 7.225 1.013
138 HE2 LYS 15 HE2 LYS 15 -2.524 9.142 1.063
139 HE3 LYS 15 HE1 LYS 15 -1.597 7.780 0.440
140 HZ1 LYS 15 HZ1 LYS 15 -2.850 9.899 -1.221
141 HZ2 LYS 15 HZ2 LYS 15 -1.917 8.616 -1.797
142 HZ3 LYS 15 HZ3 LYS 15 -1.209 9.810 -0.833
143 H VAL 16 HN VAL 16 -5.746 2.893 -0.828
144 HA VAL 16 HA VAL 16 -8.417 2.998 -1.939
145 HB VAL 16 HB VAL 16 -6.858 1.866 -3.320
146 HG11 VAL 16 HG11 VAL 16 -6.071 0.197 -0.932
147 HG12 VAL 16 HG12 VAL 16 -5.141 1.562 -1.557
148 HG13 VAL 16 HG13 VAL 16 -5.373 0.113 -2.552
149 HG21 VAL 16 HG21 VAL 16 -8.998 0.718 -3.176
150 HG22 VAL 16 HG22 VAL 16 -8.426 -0.216 -1.793
151 HG23 VAL 16 HG23 VAL 16 -7.692 -0.451 -3.380
152 HA PRO 17 HA PRO 17 -9.933 1.330 1.983
153 HB2 PRO 17 HB2 PRO 17 -12.550 1.293 1.155
154 HB3 PRO 17 HB1 PRO 17 -11.759 2.703 1.863
155 HG2 PRO 17 HG2 PRO 17 -12.312 2.078 -0.998
156 HG3 PRO 17 HG1 PRO 17 -12.383 3.634 -0.152
157 HD2 PRO 17 HD2 PRO 17 -10.317 2.917 -1.757
158 HD3 PRO 17 HD1 PRO 17 -10.118 3.983 -0.354
159 H ILE 18 HN ILE 18 -9.636 -0.767 2.293
160 HA ILE 18 HA ILE 18 -10.079 -2.632 0.118
161 HB ILE 18 HB ILE 18 -8.973 -4.303 1.567
162 HG12 ILE 18 HG12 ILE 18 -8.681 -1.988 3.498
163 HG13 ILE 18 HG11 ILE 18 -9.695 -3.403 3.746
164 HG21 ILE 18 HG21 ILE 18 -6.742 -3.283 1.504
165 HG22 ILE 18 HG22 ILE 18 -7.481 -1.701 1.255
166 HG23 ILE 18 HG23 ILE 18 -7.656 -2.958 0.032
167 HD11 ILE 18 HD11 ILE 18 -6.696 -3.401 3.517
168 HD12 ILE 18 HD12 ILE 18 -7.712 -4.819 3.771
169 HD13 ILE 18 HD13 ILE 18 -7.630 -3.562 5.005
170 H LYS 19 HN LYS 19 -12.335 -1.472 1.385
171 HA LYS 19 HA LYS 19 -13.596 -3.798 2.655
172 HB2 LYS 19 HB2 LYS 19 -14.456 -0.904 2.516
173 HB3 LYS 19 HB1 LYS 19 -15.431 -2.185 3.221
174 HG2 LYS 19 HG2 LYS 19 -13.718 -2.604 4.891
175 HG3 LYS 19 HG1 LYS 19 -12.687 -1.374 4.159
176 HD2 LYS 19 HD2 LYS 19 -14.310 0.347 4.694
177 HD3 LYS 19 HD1 LYS 19 -15.416 -0.865 5.341
178 HE2 LYS 19 HE2 LYS 19 -14.237 0.279 7.140
179 HE3 LYS 19 HE1 LYS 19 -13.787 -1.424 7.080
180 HZ1 LYS 19 HZ1 LYS 19 -11.886 0.081 7.414
181 HZ2 LYS 19 HZ2 LYS 19 -12.177 0.776 5.904
182 HZ3 LYS 19 HZ3 LYS 19 -11.732 -0.852 6.011
183 H ARG 20 HN ARG 20 -13.245 -2.236 -0.251
184 HA ARG 20 HA ARG 20 -15.806 -2.811 -1.402
185 HB2 ARG 20 HB2 ARG 20 -14.661 -2.254 -3.549
186 HB3 ARG 20 HB1 ARG 20 -14.533 -0.995 -2.332
187 HG2 ARG 20 HG2 ARG 20 -12.260 -1.804 -1.791
188 HG3 ARG 20 HG1 ARG 20 -12.399 -2.974 -3.103
189 HD2 ARG 20 HD2 ARG 20 -11.163 -0.953 -3.774
190 HD3 ARG 20 HD1 ARG 20 -12.632 -1.184 -4.718
191 HE ARG 20 HE ARG 20 -13.274 0.472 -2.576
192 HH11 ARG 20 HH11 ARG 20 -11.201 0.572 -5.402
193 HH12 ARG 20 HH12 ARG 20 -11.324 2.292 -5.585
194 HH21 ARG 20 HH21 ARG 20 -13.453 2.725 -2.831
195 HH22 ARG 20 HH22 ARG 20 -12.613 3.517 -4.128
196 HA PRO 21 HA PRO 21 -14.972 -7.082 -2.281
197 HB2 PRO 21 HB2 PRO 21 -17.006 -7.557 -3.991
198 HB3 PRO 21 HB1 PRO 21 -17.270 -7.315 -2.260
199 HG2 PRO 21 HG2 PRO 21 -17.609 -5.379 -4.516
200 HG3 PRO 21 HG1 PRO 21 -18.661 -5.660 -3.117
201 HD2 PRO 21 HD2 PRO 21 -16.885 -3.598 -3.264
202 HD3 PRO 21 HD1 PRO 21 -17.382 -4.345 -1.735
203 H SER 22 HN SER 22 -13.001 -6.082 -3.416
204 HA SER 22 HA SER 22 -13.170 -6.669 -6.290
205 HB2 SER 22 HB2 SER 22 -12.973 -4.207 -5.809
206 HB3 SER 22 HB1 SER 22 -11.424 -4.533 -5.039
207 HG SER 22 HG SER 22 -11.737 -3.976 -7.504
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 11.336 -7.735 2.629
2 H2 LEU 1 HT2 LEU 1 9.889 -8.416 3.156
3 H3 LEU 1 HT3 LEU 1 10.320 -6.863 3.655
4 HA LEU 1 HA LEU 1 9.732 -7.666 0.870
5 HB2 LEU 1 HB2 LEU 1 8.095 -6.240 2.960
6 HB3 LEU 1 HB1 LEU 1 7.781 -6.023 1.254
7 HG LEU 1 HG LEU 1 7.363 -8.479 1.067
8 HD11 LEU 1 HD11 LEU 1 6.866 -9.690 3.188
9 HD12 LEU 1 HD12 LEU 1 7.657 -8.377 4.061
10 HD13 LEU 1 HD13 LEU 1 8.574 -9.359 2.919
11 HD21 LEU 1 HD21 LEU 1 5.522 -6.919 1.284
12 HD22 LEU 1 HD22 LEU 1 5.657 -6.973 3.040
13 HD23 LEU 1 HD23 LEU 1 5.167 -8.414 2.147
14 H ARG 2 HN ARG 2 12.098 -6.339 1.874
15 HA ARG 2 HA ARG 2 13.427 -4.556 1.473
16 HB2 ARG 2 HB2 ARG 2 11.372 -4.215 -0.674
17 HB3 ARG 2 HB1 ARG 2 12.587 -2.976 -0.428
18 HG2 ARG 2 HG2 ARG 2 13.073 -5.858 -1.136
19 HG3 ARG 2 HG1 ARG 2 13.263 -4.442 -2.176
20 HD2 ARG 2 HD2 ARG 2 15.023 -3.603 -0.697
21 HD3 ARG 2 HD1 ARG 2 14.858 -5.036 0.314
22 HE ARG 2 HE ARG 2 15.372 -6.095 -2.103
23 HH11 ARG 2 HH11 ARG 2 16.938 -3.569 -0.254
24 HH12 ARG 2 HH12 ARG 2 18.512 -3.886 -0.913
25 HH21 ARG 2 HH21 ARG 2 17.443 -6.497 -2.993
26 HH22 ARG 2 HH22 ARG 2 18.798 -5.549 -2.469
27 H LEU 3 HN LEU 3 13.201 -1.980 1.012
28 HA LEU 3 HA LEU 3 11.563 -0.950 3.167
29 HB2 LEU 3 HB2 LEU 3 13.825 -0.123 3.020
30 HB3 LEU 3 HB1 LEU 3 13.582 0.337 1.344
31 HG LEU 3 HG LEU 3 12.025 2.080 2.006
32 HD11 LEU 3 HD11 LEU 3 11.647 2.609 4.357
33 HD12 LEU 3 HD12 LEU 3 12.571 1.183 4.830
34 HD13 LEU 3 HD13 LEU 3 11.050 0.998 3.952
35 HD21 LEU 3 HD21 LEU 3 14.586 2.165 3.593
36 HD22 LEU 3 HD22 LEU 3 13.587 3.553 3.166
37 HD23 LEU 3 HD23 LEU 3 14.395 2.626 1.902
38 H ILE 4 HN ILE 4 12.040 -0.337 -0.289
39 HA ILE 4 HA ILE 4 10.041 1.697 -0.324
40 HB ILE 4 HB ILE 4 11.534 0.316 -2.527
41 HG12 ILE 4 HG12 ILE 4 12.841 1.731 -0.986
42 HG13 ILE 4 HG11 ILE 4 12.790 2.398 -2.613
43 HG21 ILE 4 HG21 ILE 4 9.590 2.603 -2.695
44 HG22 ILE 4 HG22 ILE 4 9.479 1.032 -3.497
45 HG23 ILE 4 HG23 ILE 4 10.733 2.180 -3.973
46 HD11 ILE 4 HD11 ILE 4 11.181 3.328 -0.248
47 HD12 ILE 4 HD12 ILE 4 11.042 3.969 -1.885
48 HD13 ILE 4 HD13 ILE 4 12.550 4.155 -0.990
49 H HIS 5 HN HIS 5 10.067 -1.705 -0.978
50 HA HIS 5 HA HIS 5 7.519 -1.681 -2.346
51 HB2 HIS 5 HB2 HIS 5 9.118 -4.016 -1.264
52 HB3 HIS 5 HB1 HIS 5 7.720 -4.135 -2.329
53 HD1 HIS 5 HD1 HIS 5 8.215 -4.161 -4.774
54 HD2 HIS 5 HD2 HIS 5 11.337 -2.577 -2.535
55 HE1 HIS 5 HE1 HIS 5 10.070 -3.709 -6.415
56 HE2 HIS 5 HE2 HIS 5 11.997 -2.893 -5.018
57 H ALA 6 HN ALA 6 8.676 -1.752 0.826
58 HA ALA 6 HA ALA 6 6.256 -2.808 2.013
59 HB1 ALA 6 HB1 ALA 6 8.458 -3.252 3.025
60 HB2 ALA 6 HB2 ALA 6 7.389 -2.376 4.125
61 HB3 ALA 6 HB3 ALA 6 8.676 -1.517 3.273
62 H VAL 7 HN VAL 7 7.707 0.160 1.093
63 HA VAL 7 HA VAL 7 6.001 1.821 2.684
64 HB VAL 7 HB VAL 7 7.989 2.416 0.498
65 HG11 VAL 7 HG11 VAL 7 6.324 4.086 0.195
66 HG12 VAL 7 HG12 VAL 7 7.637 4.834 1.115
67 HG13 VAL 7 HG13 VAL 7 6.159 4.328 1.938
68 HG21 VAL 7 HG21 VAL 7 9.187 3.535 2.339
69 HG22 VAL 7 HG22 VAL 7 8.948 1.810 2.619
70 HG23 VAL 7 HG23 VAL 7 7.932 2.986 3.455
71 H ARG 8 HN ARG 8 6.403 1.287 -0.809
72 HA ARG 8 HA ARG 8 4.107 2.817 -1.457
73 HB2 ARG 8 HB2 ARG 8 5.694 0.849 -3.101
74 HB3 ARG 8 HB1 ARG 8 4.469 1.939 -3.744
75 HG2 ARG 8 HG2 ARG 8 5.767 3.861 -3.033
76 HG3 ARG 8 HG1 ARG 8 6.971 2.799 -2.307
77 HD2 ARG 8 HD2 ARG 8 7.717 3.613 -4.477
78 HD3 ARG 8 HD1 ARG 8 7.493 1.869 -4.497
79 HE ARG 8 HE ARG 8 5.162 2.662 -5.471
80 HH11 ARG 8 HH11 ARG 8 8.375 3.837 -6.197
81 HH12 ARG 8 HH12 ARG 8 8.017 4.174 -7.860
82 HH21 ARG 8 HH21 ARG 8 4.674 3.121 -7.651
83 HH22 ARG 8 HH22 ARG 8 5.908 3.765 -8.686
84 H GLY 9 HN GLY 9 4.691 -0.640 -1.090
85 HA2 GLY 9 HA2 GLY 9 2.022 -1.421 -1.743
86 HA3 GLY 9 HA1 GLY 9 3.205 -2.394 -0.872
87 H TYR 10 HN TYR 10 3.221 0.338 0.798
88 HA TYR 10 HA TYR 10 1.209 -0.541 2.685
89 HB2 TYR 10 HB2 TYR 10 3.133 -0.007 3.848
90 HB3 TYR 10 HB1 TYR 10 3.565 1.283 2.743
91 HD1 TYR 10 HD1 TYR 10 0.851 0.509 5.215
92 HD2 TYR 10 HD2 TYR 10 3.459 3.392 3.504
93 HE1 TYR 10 HE1 TYR 10 0.017 2.194 6.802
94 HE2 TYR 10 HE2 TYR 10 2.640 5.089 5.077
95 HH TYR 10 HH TYR 10 0.654 5.525 6.448
96 H TRP 11 HN TRP 11 2.093 2.602 1.140
97 HA TRP 11 HA TRP 11 -0.430 3.633 2.060
98 HB2 TRP 11 HB2 TRP 11 0.280 5.797 1.199
99 HB3 TRP 11 HB1 TRP 11 1.486 5.078 2.252
100 HD1 TRP 11 HD1 TRP 11 3.787 4.251 1.046
101 HE1 TRP 11 HE1 TRP 11 4.928 5.101 -1.103
102 HE3 TRP 11 HE3 TRP 11 -0.187 6.641 -1.077
103 HZ2 TRP 11 HZ2 TRP 11 4.224 6.591 -3.391
104 HZ3 TRP 11 HZ3 TRP 11 0.125 7.768 -3.243
105 HH2 TRP 11 HH2 TRP 11 2.288 7.740 -4.373
106 H LEU 12 HN LEU 12 0.705 2.358 -0.967
107 HA LEU 12 HA LEU 12 -1.312 3.671 -2.556
108 HB2 LEU 12 HB2 LEU 12 0.434 1.269 -3.118
109 HB3 LEU 12 HB1 LEU 12 -0.649 1.998 -4.288
110 HG LEU 12 HG LEU 12 1.674 3.432 -3.001
111 HD11 LEU 12 HD11 LEU 12 2.788 3.170 -5.158
112 HD12 LEU 12 HD12 LEU 12 1.429 2.216 -5.756
113 HD13 LEU 12 HD13 LEU 12 2.432 1.597 -4.443
114 HD21 LEU 12 HD21 LEU 12 -0.103 4.909 -3.688
115 HD22 LEU 12 HD22 LEU 12 -0.161 4.150 -5.280
116 HD23 LEU 12 HD23 LEU 12 1.265 5.065 -4.789
117 H THR 13 HN THR 13 -0.953 0.971 -0.586
118 HA THR 13 HA THR 13 -3.298 -0.430 -1.452
119 HB THR 13 HB THR 13 -1.336 -0.854 0.807
120 HG1 THR 13 HG1 THR 13 -0.342 -2.292 -0.644
121 HG21 THR 13 HG21 THR 13 -3.429 -2.021 1.130
122 HG22 THR 13 HG22 THR 13 -2.101 -3.129 0.796
123 HG23 THR 13 HG23 THR 13 -3.271 -2.747 -0.466
124 H ASN 14 HN ASN 14 -2.522 2.128 0.624
125 HA ASN 14 HA ASN 14 -4.777 1.598 2.416
126 HB2 ASN 14 HB2 ASN 14 -2.254 3.083 2.670
127 HB3 ASN 14 HB1 ASN 14 -3.653 3.844 3.407
128 HD21 ASN 14 HD21 ASN 14 -1.522 1.103 3.457
129 HD22 ASN 14 HD22 ASN 14 -2.013 0.501 5.005
130 H LYS 15 HN LYS 15 -3.443 4.224 0.389
131 HA LYS 15 HA LYS 15 -5.576 6.010 0.930
132 HB2 LYS 15 HB2 LYS 15 -4.670 7.396 -0.834
133 HB3 LYS 15 HB1 LYS 15 -3.382 6.802 0.191
134 HG2 LYS 15 HG2 LYS 15 -2.502 6.621 -1.944
135 HG3 LYS 15 HG1 LYS 15 -3.078 4.991 -1.613
136 HD2 LYS 15 HD2 LYS 15 -3.723 5.570 -3.837
137 HD3 LYS 15 HD1 LYS 15 -5.167 5.539 -2.821
138 HE2 LYS 15 HE2 LYS 15 -5.231 7.450 -4.290
139 HE3 LYS 15 HE1 LYS 15 -5.064 7.983 -2.625
140 HZ1 LYS 15 HZ1 LYS 15 -2.716 8.338 -3.000
141 HZ2 LYS 15 HZ2 LYS 15 -3.616 9.214 -4.127
142 HZ3 LYS 15 HZ3 LYS 15 -2.851 7.783 -4.591
143 H VAL 16 HN VAL 16 -5.182 3.457 -1.252
144 HA VAL 16 HA VAL 16 -7.149 4.013 -3.142
145 HB VAL 16 HB VAL 16 -5.582 2.230 -3.526
146 HG11 VAL 16 HG11 VAL 16 -5.267 1.591 -1.157
147 HG12 VAL 16 HG12 VAL 16 -5.518 0.197 -2.216
148 HG13 VAL 16 HG13 VAL 16 -6.834 0.780 -1.197
149 HG21 VAL 16 HG21 VAL 16 -8.359 1.099 -3.173
150 HG22 VAL 16 HG22 VAL 16 -7.085 0.412 -4.183
151 HG23 VAL 16 HG23 VAL 16 -7.772 1.988 -4.580
152 HA PRO 17 HA PRO 17 -10.725 3.538 -0.444
153 HB2 PRO 17 HB2 PRO 17 -12.528 4.193 -2.387
154 HB3 PRO 17 HB1 PRO 17 -11.659 5.391 -1.426
155 HG2 PRO 17 HG2 PRO 17 -11.117 4.434 -4.201
156 HG3 PRO 17 HG1 PRO 17 -10.990 6.071 -3.533
157 HD2 PRO 17 HD2 PRO 17 -8.834 4.464 -3.941
158 HD3 PRO 17 HD1 PRO 17 -8.897 5.683 -2.659
159 H ILE 18 HN ILE 18 -11.255 1.499 -0.064
160 HA ILE 18 HA ILE 18 -11.513 -0.369 -2.270
161 HB ILE 18 HB ILE 18 -11.757 -2.111 -0.511
162 HG12 ILE 18 HG12 ILE 18 -11.183 0.165 1.399
163 HG13 ILE 18 HG11 ILE 18 -12.740 -0.637 1.233
164 HG21 ILE 18 HG21 ILE 18 -9.425 -1.988 0.270
165 HG22 ILE 18 HG22 ILE 18 -9.347 -0.315 -0.283
166 HG23 ILE 18 HG23 ILE 18 -9.581 -1.619 -1.447
167 HD11 ILE 18 HD11 ILE 18 -11.722 -2.737 1.972
168 HD12 ILE 18 HD12 ILE 18 -11.539 -1.456 3.169
169 HD13 ILE 18 HD13 ILE 18 -10.173 -1.912 2.152
170 H LYS 19 HN LYS 19 -13.418 1.642 -2.109
171 HA LYS 19 HA LYS 19 -15.868 0.224 -1.316
172 HB2 LYS 19 HB2 LYS 19 -15.452 3.152 -1.952
173 HB3 LYS 19 HB1 LYS 19 -16.961 2.423 -1.430
174 HG2 LYS 19 HG2 LYS 19 -15.974 1.862 0.716
175 HG3 LYS 19 HG1 LYS 19 -14.426 2.523 0.193
176 HD2 LYS 19 HD2 LYS 19 -15.465 4.735 -0.055
177 HD3 LYS 19 HD1 LYS 19 -17.002 4.065 0.493
178 HE2 LYS 19 HE2 LYS 19 -14.450 4.130 2.097
179 HE3 LYS 19 HE1 LYS 19 -15.802 5.244 2.288
180 HZ1 LYS 19 HZ1 LYS 19 -15.890 2.308 2.733
181 HZ2 LYS 19 HZ2 LYS 19 -17.205 3.358 2.885
182 HZ3 LYS 19 HZ3 LYS 19 -15.889 3.496 3.934
183 H ARG 20 HN ARG 20 -13.959 1.098 -3.928
184 HA ARG 20 HA ARG 20 -16.084 1.261 -5.890
185 HB2 ARG 20 HB2 ARG 20 -14.308 1.603 -7.501
186 HB3 ARG 20 HB1 ARG 20 -13.989 2.603 -6.091
187 HG2 ARG 20 HG2 ARG 20 -12.369 0.963 -5.288
188 HG3 ARG 20 HG1 ARG 20 -12.690 -0.043 -6.701
189 HD2 ARG 20 HD2 ARG 20 -11.958 1.859 -8.132
190 HD3 ARG 20 HD1 ARG 20 -11.496 2.720 -6.664
191 HE ARG 20 HE ARG 20 -10.331 0.074 -7.195
192 HH11 ARG 20 HH11 ARG 20 -9.947 3.546 -6.937
193 HH12 ARG 20 HH12 ARG 20 -8.216 3.486 -6.879
194 HH21 ARG 20 HH21 ARG 20 -8.042 -0.010 -7.137
195 HH22 ARG 20 HH22 ARG 20 -7.131 1.461 -7.016
196 HA PRO 21 HA PRO 21 -15.877 -3.101 -6.886
197 HB2 PRO 21 HB2 PRO 21 -17.085 -3.065 -9.291
198 HB3 PRO 21 HB1 PRO 21 -17.983 -2.787 -7.795
199 HG2 PRO 21 HG2 PRO 21 -16.982 -0.810 -9.800
200 HG3 PRO 21 HG1 PRO 21 -18.526 -0.842 -8.932
201 HD2 PRO 21 HD2 PRO 21 -16.391 0.730 -8.218
202 HD3 PRO 21 HD1 PRO 21 -17.647 0.187 -7.091
203 H SER 22 HN SER 22 -13.429 -2.059 -7.128
204 HA SER 22 HA SER 22 -12.362 -3.339 -9.465
205 HB2 SER 22 HB2 SER 22 -13.010 -1.034 -10.283
206 HB3 SER 22 HB1 SER 22 -11.847 -0.369 -9.141
207 HG SER 22 HG SER 22 -11.115 -2.312 -11.067
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 11.615 -7.439 3.681
2 H2 LEU 1 HT2 LEU 1 12.721 -6.530 4.577
3 H3 LEU 1 HT3 LEU 1 12.673 -8.210 4.750
4 HA LEU 1 HA LEU 1 14.557 -7.581 3.436
5 HB2 LEU 1 HB2 LEU 1 12.328 -8.919 1.910
6 HB3 LEU 1 HB1 LEU 1 13.991 -8.877 1.357
7 HG LEU 1 HG LEU 1 13.069 -10.149 3.938
8 HD11 LEU 1 HD11 LEU 1 13.875 -11.413 1.323
9 HD12 LEU 1 HD12 LEU 1 12.242 -11.358 1.984
10 HD13 LEU 1 HD13 LEU 1 13.500 -12.273 2.817
11 HD21 LEU 1 HD21 LEU 1 15.742 -10.158 2.539
12 HD22 LEU 1 HD22 LEU 1 15.333 -11.102 3.971
13 HD23 LEU 1 HD23 LEU 1 15.359 -9.341 4.055
14 H ARG 2 HN ARG 2 11.534 -6.195 2.306
15 HA ARG 2 HA ARG 2 13.115 -4.406 0.585
16 HB2 ARG 2 HB2 ARG 2 10.554 -5.790 0.071
17 HB3 ARG 2 HB1 ARG 2 10.678 -4.133 -0.487
18 HG2 ARG 2 HG2 ARG 2 11.259 -5.674 -2.259
19 HG3 ARG 2 HG1 ARG 2 12.663 -4.718 -1.788
20 HD2 ARG 2 HD2 ARG 2 13.367 -6.641 -0.343
21 HD3 ARG 2 HD1 ARG 2 12.054 -7.577 -1.051
22 HE ARG 2 HE ARG 2 13.846 -6.411 -2.983
23 HH11 ARG 2 HH11 ARG 2 13.156 -9.193 -0.969
24 HH12 ARG 2 HH12 ARG 2 14.183 -10.262 -1.865
25 HH21 ARG 2 HH21 ARG 2 15.188 -7.827 -4.183
26 HH22 ARG 2 HH22 ARG 2 15.325 -9.487 -3.705
27 H LEU 3 HN LEU 3 12.970 -2.359 0.962
28 HA LEU 3 HA LEU 3 11.305 -1.422 3.149
29 HB2 LEU 3 HB2 LEU 3 13.620 -0.786 3.227
30 HB3 LEU 3 HB1 LEU 3 13.556 -0.185 1.582
31 HG LEU 3 HG LEU 3 12.114 1.660 2.287
32 HD11 LEU 3 HD11 LEU 3 10.962 0.583 4.124
33 HD12 LEU 3 HD12 LEU 3 11.726 2.077 4.666
34 HD13 LEU 3 HD13 LEU 3 12.459 0.521 5.054
35 HD21 LEU 3 HD21 LEU 3 13.771 2.895 3.593
36 HD22 LEU 3 HD22 LEU 3 14.529 1.977 2.293
37 HD23 LEU 3 HD23 LEU 3 14.614 1.388 3.953
38 H ILE 4 HN ILE 4 12.057 -0.493 -0.161
39 HA ILE 4 HA ILE 4 10.195 1.631 -0.242
40 HB ILE 4 HB ILE 4 11.678 0.172 -2.403
41 HG12 ILE 4 HG12 ILE 4 12.968 1.495 -0.739
42 HG13 ILE 4 HG11 ILE 4 13.112 2.117 -2.381
43 HG21 ILE 4 HG21 ILE 4 9.708 1.059 -3.444
44 HG22 ILE 4 HG22 ILE 4 11.080 2.084 -3.871
45 HG23 ILE 4 HG23 ILE 4 9.933 2.614 -2.639
46 HD11 ILE 4 HD11 ILE 4 11.455 3.853 -1.837
47 HD12 ILE 4 HD12 ILE 4 12.890 3.931 -0.816
48 HD13 ILE 4 HD13 ILE 4 11.395 3.243 -0.182
49 H HIS 5 HN HIS 5 9.999 -1.754 -1.010
50 HA HIS 5 HA HIS 5 7.499 -1.507 -2.432
51 HB2 HIS 5 HB2 HIS 5 8.858 -4.001 -1.383
52 HB3 HIS 5 HB1 HIS 5 7.519 -3.953 -2.525
53 HD1 HIS 5 HD1 HIS 5 8.186 -4.017 -4.930
54 HD2 HIS 5 HD2 HIS 5 11.246 -2.659 -2.473
55 HE1 HIS 5 HE1 HIS 5 10.166 -3.666 -6.440
56 HE2 HIS 5 HE2 HIS 5 11.967 -2.733 -4.960
57 H ALA 6 HN ALA 6 8.529 -1.760 0.790
58 HA ALA 6 HA ALA 6 5.994 -2.698 1.825
59 HB1 ALA 6 HB1 ALA 6 8.130 -3.257 2.946
60 HB2 ALA 6 HB2 ALA 6 7.019 -2.386 4.005
61 HB3 ALA 6 HB3 ALA 6 8.381 -1.542 3.267
62 H VAL 7 HN VAL 7 7.838 0.210 1.374
63 HA VAL 7 HA VAL 7 6.115 2.024 2.657
64 HB VAL 7 HB VAL 7 8.177 2.339 0.479
65 HG11 VAL 7 HG11 VAL 7 6.470 4.482 1.739
66 HG12 VAL 7 HG12 VAL 7 6.643 4.099 0.019
67 HG13 VAL 7 HG13 VAL 7 7.993 4.810 0.910
68 HG21 VAL 7 HG21 VAL 7 9.053 1.817 2.647
69 HG22 VAL 7 HG22 VAL 7 8.094 3.098 3.387
70 HG23 VAL 7 HG23 VAL 7 9.405 3.505 2.275
71 H ARG 8 HN ARG 8 6.564 1.385 -0.809
72 HA ARG 8 HA ARG 8 4.344 2.948 -1.576
73 HB2 ARG 8 HB2 ARG 8 5.813 0.770 -3.056
74 HB3 ARG 8 HB1 ARG 8 4.672 1.891 -3.793
75 HG2 ARG 8 HG2 ARG 8 6.116 3.763 -3.199
76 HG3 ARG 8 HG1 ARG 8 7.246 2.655 -2.421
77 HD2 ARG 8 HD2 ARG 8 8.025 3.249 -4.650
78 HD3 ARG 8 HD1 ARG 8 7.625 1.536 -4.563
79 HE ARG 8 HE ARG 8 5.645 3.419 -5.627
80 HH11 ARG 8 HH11 ARG 8 7.843 0.740 -6.135
81 HH12 ARG 8 HH12 ARG 8 7.210 0.358 -7.703
82 HH21 ARG 8 HH21 ARG 8 4.804 2.912 -7.673
83 HH22 ARG 8 HH22 ARG 8 5.470 1.591 -8.578
84 H GLY 9 HN GLY 9 4.755 -0.476 -0.908
85 HA2 GLY 9 HA2 GLY 9 2.071 -1.176 -1.609
86 HA3 GLY 9 HA1 GLY 9 3.197 -2.165 -0.687
87 H TYR 10 HN TYR 10 3.257 0.670 0.853
88 HA TYR 10 HA TYR 10 1.272 -0.142 2.806
89 HB2 TYR 10 HB2 TYR 10 3.113 0.508 4.007
90 HB3 TYR 10 HB1 TYR 10 3.651 1.623 2.766
91 HD1 TYR 10 HD1 TYR 10 3.561 3.847 3.171
92 HD2 TYR 10 HD2 TYR 10 0.919 1.300 5.319
93 HE1 TYR 10 HE1 TYR 10 2.786 5.767 4.471
94 HE2 TYR 10 HE2 TYR 10 0.128 3.225 6.631
95 HH TYR 10 HH TYR 10 0.920 5.459 7.294
96 H TRP 11 HN TRP 11 2.089 2.910 1.083
97 HA TRP 11 HA TRP 11 -0.445 3.994 1.905
98 HB2 TRP 11 HB2 TRP 11 0.200 6.022 0.631
99 HB3 TRP 11 HB1 TRP 11 1.370 5.541 1.847
100 HD1 TRP 11 HD1 TRP 11 3.672 4.371 0.864
101 HE1 TRP 11 HE1 TRP 11 4.940 4.877 -1.315
102 HE3 TRP 11 HE3 TRP 11 -0.067 6.699 -1.728
103 HZ2 TRP 11 HZ2 TRP 11 4.428 6.096 -3.796
104 HZ3 TRP 11 HZ3 TRP 11 0.412 7.510 -3.998
105 HH2 TRP 11 HH2 TRP 11 2.613 7.217 -5.011
106 H LEU 12 HN LEU 12 0.806 2.656 -1.114
107 HA LEU 12 HA LEU 12 -1.395 3.473 -2.702
108 HB2 LEU 12 HB2 LEU 12 0.466 1.113 -2.982
109 HB3 LEU 12 HB1 LEU 12 -0.721 1.570 -4.188
110 HG LEU 12 HG LEU 12 1.570 3.320 -3.284
111 HD11 LEU 12 HD11 LEU 12 1.237 1.695 -5.807
112 HD12 LEU 12 HD12 LEU 12 2.358 1.343 -4.491
113 HD13 LEU 12 HD13 LEU 12 2.561 2.805 -5.455
114 HD21 LEU 12 HD21 LEU 12 -0.439 3.611 -5.515
115 HD22 LEU 12 HD22 LEU 12 0.962 4.653 -5.264
116 HD23 LEU 12 HD23 LEU 12 -0.329 4.605 -4.063
117 H THR 13 HN THR 13 -0.793 0.722 -0.637
118 HA THR 13 HA THR 13 -3.186 -0.664 -1.420
119 HB THR 13 HB THR 13 -0.748 -1.331 -0.149
120 HG1 THR 13 HG1 THR 13 -2.879 -2.566 -1.366
121 HG21 THR 13 HG21 THR 13 -1.495 -2.737 1.719
122 HG22 THR 13 HG22 THR 13 -3.124 -2.083 1.554
123 HG23 THR 13 HG23 THR 13 -1.794 -1.026 2.024
124 H ASN 14 HN ASN 14 -2.490 1.836 0.771
125 HA ASN 14 HA ASN 14 -4.786 1.149 2.461
126 HB2 ASN 14 HB2 ASN 14 -2.375 2.796 2.849
127 HB3 ASN 14 HB1 ASN 14 -3.850 3.364 3.619
128 HD21 ASN 14 HD21 ASN 14 -1.424 0.900 3.541
129 HD22 ASN 14 HD22 ASN 14 -1.883 0.108 5.010
130 H LYS 15 HN LYS 15 -3.572 3.783 0.409
131 HA LYS 15 HA LYS 15 -5.618 5.621 0.964
132 HB2 LYS 15 HB2 LYS 15 -4.927 6.783 -1.039
133 HB3 LYS 15 HB1 LYS 15 -3.518 6.242 -0.147
134 HG2 LYS 15 HG2 LYS 15 -2.879 5.697 -2.257
135 HG3 LYS 15 HG1 LYS 15 -3.695 4.197 -1.808
136 HD2 LYS 15 HD2 LYS 15 -5.752 5.033 -2.884
137 HD3 LYS 15 HD1 LYS 15 -4.883 6.487 -3.376
138 HE2 LYS 15 HE2 LYS 15 -4.856 5.099 -5.263
139 HE3 LYS 15 HE1 LYS 15 -3.254 4.927 -4.552
140 HZ1 LYS 15 HZ1 LYS 15 -5.516 3.027 -4.275
141 HZ2 LYS 15 HZ2 LYS 15 -4.022 2.865 -3.497
142 HZ3 LYS 15 HZ3 LYS 15 -4.111 2.790 -5.183
143 H VAL 16 HN VAL 16 -5.566 2.832 -0.950
144 HA VAL 16 HA VAL 16 -7.905 3.316 -2.478
145 HB VAL 16 HB VAL 16 -6.377 1.683 -3.308
146 HG11 VAL 16 HG11 VAL 16 -6.762 0.117 -0.762
147 HG12 VAL 16 HG12 VAL 16 -5.366 1.140 -1.097
148 HG13 VAL 16 HG13 VAL 16 -5.686 -0.280 -2.102
149 HG21 VAL 16 HG21 VAL 16 -8.713 1.164 -3.735
150 HG22 VAL 16 HG22 VAL 16 -8.819 0.287 -2.208
151 HG23 VAL 16 HG23 VAL 16 -7.793 -0.324 -3.509
152 HA PRO 17 HA PRO 17 -10.686 2.559 0.971
153 HB2 PRO 17 HB2 PRO 17 -12.954 2.985 -0.502
154 HB3 PRO 17 HB1 PRO 17 -12.011 4.280 0.243
155 HG2 PRO 17 HG2 PRO 17 -12.037 3.338 -2.587
156 HG3 PRO 17 HG1 PRO 17 -11.904 4.988 -1.953
157 HD2 PRO 17 HD2 PRO 17 -9.769 3.571 -2.872
158 HD3 PRO 17 HD1 PRO 17 -9.635 4.799 -1.603
159 H ILE 18 HN ILE 18 -10.985 0.523 1.510
160 HA ILE 18 HA ILE 18 -11.363 -1.532 -0.476
161 HB ILE 18 HB ILE 18 -11.402 -3.089 1.490
162 HG12 ILE 18 HG12 ILE 18 -10.760 -0.565 3.034
163 HG13 ILE 18 HG11 ILE 18 -12.262 -1.475 3.155
164 HG21 ILE 18 HG21 ILE 18 -9.014 -2.832 1.976
165 HG22 ILE 18 HG22 ILE 18 -9.052 -1.214 1.272
166 HG23 ILE 18 HG23 ILE 18 -9.359 -2.624 0.259
167 HD11 ILE 18 HD11 ILE 18 -10.766 -1.939 5.016
168 HD12 ILE 18 HD12 ILE 18 -9.528 -2.495 3.890
169 HD13 ILE 18 HD13 ILE 18 -11.044 -3.381 4.042
170 H LYS 19 HN LYS 19 -13.417 0.275 -0.485
171 HA LYS 19 HA LYS 19 -15.701 -1.098 0.736
172 HB2 LYS 19 HB2 LYS 19 -15.534 1.572 -0.674
173 HB3 LYS 19 HB1 LYS 19 -16.975 0.908 0.080
174 HG2 LYS 19 HG2 LYS 19 -15.896 0.992 2.257
175 HG3 LYS 19 HG1 LYS 19 -14.418 1.598 1.512
176 HD2 LYS 19 HD2 LYS 19 -15.614 3.448 2.473
177 HD3 LYS 19 HD1 LYS 19 -15.695 3.576 0.716
178 HE2 LYS 19 HE2 LYS 19 -17.944 2.607 0.752
179 HE3 LYS 19 HE1 LYS 19 -17.859 2.475 2.508
180 HZ1 LYS 19 HZ1 LYS 19 -19.082 4.429 1.887
181 HZ2 LYS 19 HZ2 LYS 19 -17.810 4.985 0.926
182 HZ3 LYS 19 HZ3 LYS 19 -17.626 4.904 2.605
183 H ARG 20 HN ARG 20 -13.956 -0.910 -2.084
184 HA ARG 20 HA ARG 20 -16.033 -1.492 -3.960
185 HB2 ARG 20 HB2 ARG 20 -14.170 -2.111 -5.470
186 HB3 ARG 20 HB1 ARG 20 -13.937 -0.530 -4.742
187 HG2 ARG 20 HG2 ARG 20 -12.350 -1.451 -3.164
188 HG3 ARG 20 HG1 ARG 20 -12.633 -3.074 -3.794
189 HD2 ARG 20 HD2 ARG 20 -10.569 -2.126 -4.687
190 HD3 ARG 20 HD1 ARG 20 -11.752 -2.401 -5.963
191 HE ARG 20 HE ARG 20 -12.169 0.188 -5.291
192 HH11 ARG 20 HH11 ARG 20 -9.302 -1.624 -6.181
193 HH12 ARG 20 HH12 ARG 20 -8.504 -0.258 -6.886
194 HH21 ARG 20 HH21 ARG 20 -11.126 1.982 -6.230
195 HH22 ARG 20 HH22 ARG 20 -9.548 1.798 -6.921
196 HA PRO 21 HA PRO 21 -16.484 -5.794 -2.989
197 HB2 PRO 21 HB2 PRO 21 -17.572 -6.694 -5.290
198 HB3 PRO 21 HB1 PRO 21 -18.461 -5.657 -4.168
199 HG2 PRO 21 HG2 PRO 21 -17.053 -4.933 -6.707
200 HG3 PRO 21 HG1 PRO 21 -18.625 -4.382 -6.103
201 HD2 PRO 21 HD2 PRO 21 -16.336 -2.914 -5.896
202 HD3 PRO 21 HD1 PRO 21 -17.686 -2.788 -4.751
203 H SER 22 HN SER 22 -13.870 -5.221 -3.535
204 HA SER 22 HA SER 22 -12.970 -7.643 -4.821
205 HB2 SER 22 HB2 SER 22 -13.181 -5.880 -6.648
206 HB3 SER 22 HB1 SER 22 -11.907 -4.992 -5.818
207 HG SER 22 HG SER 22 -11.760 -7.569 -6.993
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 11.065 -8.811 0.534
2 H2 LEU 1 HT2 LEU 1 10.491 -9.796 1.775
3 H3 LEU 1 HT3 LEU 1 12.145 -9.477 1.652
4 HA LEU 1 HA LEU 1 10.011 -7.531 2.297
5 HB2 LEU 1 HB2 LEU 1 12.258 -8.719 3.925
6 HB3 LEU 1 HB1 LEU 1 11.388 -7.284 4.411
7 HG LEU 1 HG LEU 1 9.281 -8.723 4.354
8 HD11 LEU 1 HD11 LEU 1 9.709 -11.144 4.765
9 HD12 LEU 1 HD12 LEU 1 11.371 -10.888 4.230
10 HD13 LEU 1 HD13 LEU 1 10.031 -10.619 3.115
11 HD21 LEU 1 HD21 LEU 1 10.347 -7.962 6.404
12 HD22 LEU 1 HD22 LEU 1 11.441 -9.344 6.356
13 HD23 LEU 1 HD23 LEU 1 9.712 -9.597 6.588
14 H ARG 2 HN ARG 2 10.438 -5.680 1.291
15 HA ARG 2 HA ARG 2 13.240 -4.752 1.216
16 HB2 ARG 2 HB2 ARG 2 11.912 -5.359 -1.002
17 HB3 ARG 2 HB1 ARG 2 11.217 -3.766 -0.747
18 HG2 ARG 2 HG2 ARG 2 13.010 -3.466 -2.232
19 HG3 ARG 2 HG1 ARG 2 13.574 -2.880 -0.670
20 HD2 ARG 2 HD2 ARG 2 14.132 -5.647 -1.706
21 HD3 ARG 2 HD1 ARG 2 15.212 -4.283 -1.965
22 HE ARG 2 HE ARG 2 15.031 -4.223 0.664
23 HH11 ARG 2 HH11 ARG 2 15.347 -7.005 -1.437
24 HH12 ARG 2 HH12 ARG 2 16.254 -7.932 -0.287
25 HH21 ARG 2 HH21 ARG 2 16.222 -5.431 2.181
26 HH22 ARG 2 HH22 ARG 2 16.758 -7.031 1.774
27 H LEU 3 HN LEU 3 13.176 -2.184 0.886
28 HA LEU 3 HA LEU 3 11.525 -1.174 3.029
29 HB2 LEU 3 HB2 LEU 3 13.799 -0.412 2.960
30 HB3 LEU 3 HB1 LEU 3 13.615 0.137 1.307
31 HG LEU 3 HG LEU 3 12.086 1.896 2.028
32 HD11 LEU 3 HD11 LEU 3 11.068 0.756 3.922
33 HD12 LEU 3 HD12 LEU 3 11.703 2.334 4.393
34 HD13 LEU 3 HD13 LEU 3 12.586 0.867 4.814
35 HD21 LEU 3 HD21 LEU 3 14.642 1.832 3.625
36 HD22 LEU 3 HD22 LEU 3 13.685 3.268 3.263
37 HD23 LEU 3 HD23 LEU 3 14.469 2.379 1.958
38 H ILE 4 HN ILE 4 12.150 0.032 -0.239
39 HA ILE 4 HA ILE 4 10.013 1.835 -0.232
40 HB ILE 4 HB ILE 4 11.592 0.645 -2.486
41 HG12 ILE 4 HG12 ILE 4 12.825 2.055 -0.899
42 HG13 ILE 4 HG11 ILE 4 12.702 2.828 -2.474
43 HG21 ILE 4 HG21 ILE 4 10.709 2.456 -3.900
44 HG22 ILE 4 HG22 ILE 4 9.586 2.888 -2.610
45 HG23 ILE 4 HG23 ILE 4 9.461 1.316 -3.401
46 HD11 ILE 4 HD11 ILE 4 12.361 4.462 -0.758
47 HD12 ILE 4 HD12 ILE 4 11.101 3.479 -0.015
48 HD13 ILE 4 HD13 ILE 4 10.834 4.198 -1.603
49 H HIS 5 HN HIS 5 10.139 -1.535 -1.108
50 HA HIS 5 HA HIS 5 7.624 -1.488 -2.513
51 HB2 HIS 5 HB2 HIS 5 9.227 -3.860 -1.531
52 HB3 HIS 5 HB1 HIS 5 7.870 -3.926 -2.653
53 HD1 HIS 5 HD1 HIS 5 8.499 -3.859 -5.072
54 HD2 HIS 5 HD2 HIS 5 11.426 -2.222 -2.622
55 HE1 HIS 5 HE1 HIS 5 10.389 -3.229 -6.605
56 HE2 HIS 5 HE2 HIS 5 12.058 -2.064 -5.128
57 H ALA 6 HN ALA 6 8.658 -1.723 0.699
58 HA ALA 6 HA ALA 6 6.211 -2.888 1.715
59 HB1 ALA 6 HB1 ALA 6 8.396 -3.273 2.824
60 HB2 ALA 6 HB2 ALA 6 7.216 -2.521 3.898
61 HB3 ALA 6 HB3 ALA 6 8.496 -1.546 3.170
62 H VAL 7 HN VAL 7 7.888 0.162 1.488
63 HA VAL 7 HA VAL 7 6.071 1.844 2.730
64 HB VAL 7 HB VAL 7 8.056 2.285 0.516
65 HG11 VAL 7 HG11 VAL 7 7.725 4.735 0.905
66 HG12 VAL 7 HG12 VAL 7 6.249 4.336 1.784
67 HG13 VAL 7 HG13 VAL 7 6.392 3.933 0.068
68 HG21 VAL 7 HG21 VAL 7 9.235 3.525 2.287
69 HG22 VAL 7 HG22 VAL 7 8.966 1.830 2.694
70 HG23 VAL 7 HG23 VAL 7 7.952 3.079 3.414
71 H ARG 8 HN ARG 8 6.403 1.139 -0.740
72 HA ARG 8 HA ARG 8 4.098 2.636 -1.429
73 HB2 ARG 8 HB2 ARG 8 5.688 0.590 -2.963
74 HB3 ARG 8 HB1 ARG 8 4.387 1.548 -3.663
75 HG2 ARG 8 HG2 ARG 8 5.625 3.597 -3.078
76 HG3 ARG 8 HG1 ARG 8 6.946 2.597 -2.468
77 HD2 ARG 8 HD2 ARG 8 7.184 1.594 -4.705
78 HD3 ARG 8 HD1 ARG 8 5.897 2.643 -5.301
79 HE ARG 8 HE ARG 8 7.841 4.261 -4.129
80 HH11 ARG 8 HH11 ARG 8 7.484 2.150 -6.896
81 HH12 ARG 8 HH12 ARG 8 8.695 2.963 -7.833
82 HH21 ARG 8 HH21 ARG 8 9.439 5.334 -5.353
83 HH22 ARG 8 HH22 ARG 8 9.805 4.779 -6.956
84 H GLY 9 HN GLY 9 4.620 -0.710 -0.576
85 HA2 GLY 9 HA2 GLY 9 1.947 -1.507 -1.297
86 HA3 GLY 9 HA1 GLY 9 3.083 -2.439 -0.321
87 H TYR 10 HN TYR 10 3.282 0.306 1.178
88 HA TYR 10 HA TYR 10 1.211 -0.248 3.103
89 HB2 TYR 10 HB2 TYR 10 3.064 0.402 4.290
90 HB3 TYR 10 HB1 TYR 10 3.666 1.409 2.986
91 HD1 TYR 10 HD1 TYR 10 0.912 1.366 5.533
92 HD2 TYR 10 HD2 TYR 10 3.634 3.672 3.223
93 HE1 TYR 10 HE1 TYR 10 0.176 3.402 6.706
94 HE2 TYR 10 HE2 TYR 10 2.911 5.705 4.380
95 HH TYR 10 HH TYR 10 1.006 6.541 5.613
96 H TRP 11 HN TRP 11 2.167 2.662 1.196
97 HA TRP 11 HA TRP 11 -0.318 3.862 1.992
98 HB2 TRP 11 HB2 TRP 11 0.418 5.883 0.835
99 HB3 TRP 11 HB1 TRP 11 1.615 5.290 1.971
100 HD1 TRP 11 HD1 TRP 11 3.828 4.080 0.820
101 HE1 TRP 11 HE1 TRP 11 5.019 4.669 -1.385
102 HE3 TRP 11 HE3 TRP 11 0.080 6.693 -1.448
103 HZ2 TRP 11 HZ2 TRP 11 4.444 6.062 -3.768
104 HZ3 TRP 11 HZ3 TRP 11 0.481 7.635 -3.687
105 HH2 TRP 11 HH2 TRP 11 2.620 7.324 -4.823
106 H LEU 12 HN LEU 12 0.907 2.493 -1.054
107 HA LEU 12 HA LEU 12 -1.149 3.627 -2.664
108 HB2 LEU 12 HB2 LEU 12 0.607 1.210 -3.062
109 HB3 LEU 12 HB1 LEU 12 -0.547 1.760 -4.263
110 HG LEU 12 HG LEU 12 1.757 3.402 -3.219
111 HD11 LEU 12 HD11 LEU 12 2.746 3.018 -5.436
112 HD12 LEU 12 HD12 LEU 12 1.434 1.904 -5.815
113 HD13 LEU 12 HD13 LEU 12 2.567 1.522 -4.523
114 HD21 LEU 12 HD21 LEU 12 -0.101 4.760 -3.932
115 HD22 LEU 12 HD22 LEU 12 -0.218 3.861 -5.446
116 HD23 LEU 12 HD23 LEU 12 1.198 4.861 -5.120
117 H THR 13 HN THR 13 -0.898 0.878 -0.653
118 HA THR 13 HA THR 13 -3.278 -0.392 -1.649
119 HB THR 13 HB THR 13 -1.001 -1.088 -0.007
120 HG1 THR 13 HG1 THR 13 -2.730 -2.221 -1.832
121 HG21 THR 13 HG21 THR 13 -2.528 -1.081 1.859
122 HG22 THR 13 HG22 THR 13 -2.110 -2.741 1.429
123 HG23 THR 13 HG23 THR 13 -3.677 -2.078 0.964
124 H ASN 14 HN ASN 14 -2.532 1.999 0.685
125 HA ASN 14 HA ASN 14 -5.067 1.526 2.079
126 HB2 ASN 14 HB2 ASN 14 -2.557 2.902 2.858
127 HB3 ASN 14 HB1 ASN 14 -4.071 3.429 3.580
128 HD21 ASN 14 HD21 ASN 14 -1.716 0.899 3.391
129 HD22 ASN 14 HD22 ASN 14 -2.357 -0.076 4.675
130 H LYS 15 HN LYS 15 -3.329 4.060 0.294
131 HA LYS 15 HA LYS 15 -5.231 6.100 0.779
132 HB2 LYS 15 HB2 LYS 15 -4.142 7.325 -1.046
133 HB3 LYS 15 HB1 LYS 15 -2.982 6.663 0.090
134 HG2 LYS 15 HG2 LYS 15 -1.986 6.237 -1.938
135 HG3 LYS 15 HG1 LYS 15 -2.801 4.713 -1.598
136 HD2 LYS 15 HD2 LYS 15 -3.261 5.183 -3.858
137 HD3 LYS 15 HD1 LYS 15 -4.730 5.605 -2.971
138 HE2 LYS 15 HE2 LYS 15 -4.145 7.945 -3.037
139 HE3 LYS 15 HE1 LYS 15 -2.598 7.571 -3.794
140 HZ1 LYS 15 HZ1 LYS 15 -5.271 7.084 -4.991
141 HZ2 LYS 15 HZ2 LYS 15 -3.791 6.726 -5.719
142 HZ3 LYS 15 HZ3 LYS 15 -4.214 8.334 -5.414
143 H VAL 16 HN VAL 16 -5.115 3.517 -1.424
144 HA VAL 16 HA VAL 16 -6.963 4.300 -3.338
145 HB VAL 16 HB VAL 16 -5.702 2.294 -3.669
146 HG11 VAL 16 HG11 VAL 16 -7.110 1.116 -1.278
147 HG12 VAL 16 HG12 VAL 16 -5.446 1.704 -1.281
148 HG13 VAL 16 HG13 VAL 16 -5.901 0.323 -2.287
149 HG21 VAL 16 HG21 VAL 16 -7.496 0.643 -4.157
150 HG22 VAL 16 HG22 VAL 16 -7.843 2.266 -4.752
151 HG23 VAL 16 HG23 VAL 16 -8.626 1.680 -3.284
152 HA PRO 17 HA PRO 17 -10.580 4.518 -0.658
153 HB2 PRO 17 HB2 PRO 17 -12.249 5.390 -2.638
154 HB3 PRO 17 HB1 PRO 17 -11.191 6.459 -1.713
155 HG2 PRO 17 HG2 PRO 17 -10.811 5.317 -4.443
156 HG3 PRO 17 HG1 PRO 17 -10.421 6.936 -3.840
157 HD2 PRO 17 HD2 PRO 17 -8.552 4.997 -4.171
158 HD3 PRO 17 HD1 PRO 17 -8.426 6.246 -2.923
159 H ILE 18 HN ILE 18 -11.445 2.647 -0.187
160 HA ILE 18 HA ILE 18 -12.806 1.083 -2.249
161 HB ILE 18 HB ILE 18 -11.840 -1.005 -1.033
162 HG12 ILE 18 HG12 ILE 18 -9.716 1.063 -0.427
163 HG13 ILE 18 HG11 ILE 18 -10.713 0.231 0.760
164 HG21 ILE 18 HG21 ILE 18 -9.899 -1.032 -2.592
165 HG22 ILE 18 HG22 ILE 18 -10.251 0.652 -2.976
166 HG23 ILE 18 HG23 ILE 18 -11.432 -0.599 -3.349
167 HD11 ILE 18 HD11 ILE 18 -8.476 -0.702 0.648
168 HD12 ILE 18 HD12 ILE 18 -8.699 -1.056 -1.064
169 HD13 ILE 18 HD13 ILE 18 -9.683 -1.884 0.143
170 H LYS 19 HN LYS 19 -13.939 2.732 -0.384
171 HA LYS 19 HA LYS 19 -14.897 0.996 1.772
172 HB2 LYS 19 HB2 LYS 19 -15.367 3.950 1.326
173 HB3 LYS 19 HB1 LYS 19 -15.825 3.030 2.751
174 HG2 LYS 19 HG2 LYS 19 -13.431 2.552 3.158
175 HG3 LYS 19 HG1 LYS 19 -13.027 3.593 1.795
176 HD2 LYS 19 HD2 LYS 19 -12.780 4.856 3.819
177 HD3 LYS 19 HD1 LYS 19 -14.192 5.462 2.952
178 HE2 LYS 19 HE2 LYS 19 -14.653 5.266 5.335
179 HE3 LYS 19 HE1 LYS 19 -15.652 4.151 4.409
180 HZ1 LYS 19 HZ1 LYS 19 -14.727 3.119 6.396
181 HZ2 LYS 19 HZ2 LYS 19 -13.159 3.418 5.847
182 HZ3 LYS 19 HZ3 LYS 19 -14.161 2.356 4.999
183 H ARG 20 HN ARG 20 -15.735 2.192 -1.269
184 HA ARG 20 HA ARG 20 -18.498 2.329 -1.189
185 HB2 ARG 20 HB2 ARG 20 -18.330 1.653 -3.654
186 HB3 ARG 20 HB1 ARG 20 -17.507 3.115 -3.153
187 HG2 ARG 20 HG2 ARG 20 -16.055 1.990 -4.633
188 HG3 ARG 20 HG1 ARG 20 -15.392 1.744 -3.021
189 HD2 ARG 20 HD2 ARG 20 -16.558 -0.464 -2.973
190 HD3 ARG 20 HD1 ARG 20 -16.988 -0.208 -4.661
191 HE ARG 20 HE ARG 20 -14.535 -0.134 -5.092
192 HH11 ARG 20 HH11 ARG 20 -15.763 -1.755 -2.230
193 HH12 ARG 20 HH12 ARG 20 -14.452 -2.887 -2.154
194 HH21 ARG 20 HH21 ARG 20 -12.810 -1.630 -4.994
195 HH22 ARG 20 HH22 ARG 20 -12.775 -2.823 -3.737
196 HA PRO 21 HA PRO 21 -19.643 -1.888 -0.583
197 HB2 PRO 21 HB2 PRO 21 -22.283 -1.653 -0.827
198 HB3 PRO 21 HB1 PRO 21 -21.419 -0.828 0.475
199 HG2 PRO 21 HG2 PRO 21 -22.500 0.276 -2.077
200 HG3 PRO 21 HG1 PRO 21 -22.459 1.012 -0.466
201 HD2 PRO 21 HD2 PRO 21 -20.649 1.501 -2.546
202 HD3 PRO 21 HD1 PRO 21 -20.409 1.913 -0.839
203 H SER 22 HN SER 22 -18.722 -1.306 -3.281
204 HA SER 22 HA SER 22 -20.623 -2.309 -5.158
205 HB2 SER 22 HB2 SER 22 -17.623 -2.065 -5.470
206 HB3 SER 22 HB1 SER 22 -18.818 -2.181 -6.763
207 HG SER 22 HG SER 22 -18.774 -0.081 -6.666
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 10.331 -8.121 0.111
2 H2 LEU 1 HT2 LEU 1 9.528 -7.160 1.244
3 H3 LEU 1 HT3 LEU 1 9.506 -8.842 1.396
4 HA LEU 1 HA LEU 1 11.012 -7.777 2.956
5 HB2 LEU 1 HB2 LEU 1 12.957 -9.209 2.517
6 HB3 LEU 1 HB1 LEU 1 11.447 -10.069 2.327
7 HG LEU 1 HG LEU 1 12.864 -8.959 -0.077
8 HD11 LEU 1 HD11 LEU 1 14.018 -11.094 -0.326
9 HD12 LEU 1 HD12 LEU 1 13.396 -11.619 1.238
10 HD13 LEU 1 HD13 LEU 1 14.523 -10.266 1.147
11 HD21 LEU 1 HD21 LEU 1 11.066 -11.348 0.333
12 HD22 LEU 1 HD22 LEU 1 11.735 -10.801 -1.204
13 HD23 LEU 1 HD23 LEU 1 10.572 -9.796 -0.342
14 H ARG 2 HN ARG 2 10.842 -5.482 2.072
15 HA ARG 2 HA ARG 2 13.489 -4.503 1.735
16 HB2 ARG 2 HB2 ARG 2 12.605 -5.207 -0.653
17 HB3 ARG 2 HB1 ARG 2 11.693 -3.708 -0.527
18 HG2 ARG 2 HG2 ARG 2 13.727 -3.304 -1.731
19 HG3 ARG 2 HG1 ARG 2 13.804 -2.489 -0.172
20 HD2 ARG 2 HD2 ARG 2 15.134 -4.372 0.711
21 HD3 ARG 2 HD1 ARG 2 15.104 -5.111 -0.889
22 HE ARG 2 HE ARG 2 16.097 -2.554 -1.225
23 HH11 ARG 2 HH11 ARG 2 17.018 -5.464 0.480
24 HH12 ARG 2 HH12 ARG 2 18.714 -5.115 0.415
25 HH21 ARG 2 HH21 ARG 2 18.325 -2.090 -1.310
26 HH22 ARG 2 HH22 ARG 2 19.461 -3.196 -0.606
27 H LEU 3 HN LEU 3 13.273 -1.949 1.336
28 HA LEU 3 HA LEU 3 11.347 -1.090 3.292
29 HB2 LEU 3 HB2 LEU 3 13.566 -0.181 3.446
30 HB3 LEU 3 HB1 LEU 3 13.485 0.407 1.797
31 HG LEU 3 HG LEU 3 11.803 2.045 2.414
32 HD11 LEU 3 HD11 LEU 3 11.122 2.351 4.735
33 HD12 LEU 3 HD12 LEU 3 12.043 0.920 5.201
34 HD13 LEU 3 HD13 LEU 3 10.648 0.761 4.130
35 HD21 LEU 3 HD21 LEU 3 14.147 2.667 2.651
36 HD22 LEU 3 HD22 LEU 3 14.152 2.058 4.305
37 HD23 LEU 3 HD23 LEU 3 13.160 3.452 3.883
38 H ILE 4 HN ILE 4 12.175 0.234 0.112
39 HA ILE 4 HA ILE 4 9.922 1.870 -0.065
40 HB ILE 4 HB ILE 4 11.788 0.821 -2.157
41 HG12 ILE 4 HG12 ILE 4 12.716 2.351 -0.483
42 HG13 ILE 4 HG11 ILE 4 12.680 3.101 -2.074
43 HG21 ILE 4 HG21 ILE 4 9.587 2.843 -2.524
44 HG22 ILE 4 HG22 ILE 4 9.710 1.258 -3.295
45 HG23 ILE 4 HG23 ILE 4 10.875 2.522 -3.685
46 HD11 ILE 4 HD11 ILE 4 10.788 3.608 0.205
47 HD12 ILE 4 HD12 ILE 4 10.619 4.294 -1.409
48 HD13 ILE 4 HD13 ILE 4 12.022 4.701 -0.421
49 H HIS 5 HN HIS 5 10.385 -1.451 -1.031
50 HA HIS 5 HA HIS 5 8.020 -1.586 -2.643
51 HB2 HIS 5 HB2 HIS 5 9.654 -3.837 -1.445
52 HB3 HIS 5 HB1 HIS 5 8.441 -4.003 -2.711
53 HD1 HIS 5 HD1 HIS 5 9.308 -3.873 -5.053
54 HD2 HIS 5 HD2 HIS 5 11.895 -2.139 -2.302
55 HE1 HIS 5 HE1 HIS 5 11.324 -3.162 -6.376
56 HE2 HIS 5 HE2 HIS 5 12.946 -2.269 -4.667
57 H ALA 6 HN ALA 6 8.719 -1.732 0.669
58 HA ALA 6 HA ALA 6 6.197 -2.982 1.401
59 HB1 ALA 6 HB1 ALA 6 8.362 -1.741 3.105
60 HB2 ALA 6 HB2 ALA 6 8.226 -3.457 2.712
61 HB3 ALA 6 HB3 ALA 6 6.983 -2.676 3.694
62 H VAL 7 HN VAL 7 7.848 0.087 1.362
63 HA VAL 7 HA VAL 7 5.984 1.727 2.604
64 HB VAL 7 HB VAL 7 8.023 2.227 0.451
65 HG11 VAL 7 HG11 VAL 7 7.661 4.670 0.852
66 HG12 VAL 7 HG12 VAL 7 6.161 4.252 1.681
67 HG13 VAL 7 HG13 VAL 7 6.363 3.864 -0.033
68 HG21 VAL 7 HG21 VAL 7 9.146 3.456 2.265
69 HG22 VAL 7 HG22 VAL 7 8.878 1.756 2.650
70 HG23 VAL 7 HG23 VAL 7 7.838 2.993 3.357
71 H ARG 8 HN ARG 8 6.404 1.116 -0.875
72 HA ARG 8 HA ARG 8 4.126 2.619 -1.608
73 HB2 ARG 8 HB2 ARG 8 5.695 0.519 -3.099
74 HB3 ARG 8 HB1 ARG 8 4.455 1.533 -3.833
75 HG2 ARG 8 HG2 ARG 8 5.747 3.529 -3.251
76 HG3 ARG 8 HG1 ARG 8 6.986 2.509 -2.523
77 HD2 ARG 8 HD2 ARG 8 7.600 3.236 -4.786
78 HD3 ARG 8 HD1 ARG 8 7.452 1.485 -4.671
79 HE ARG 8 HE ARG 8 5.124 1.902 -5.646
80 HH11 ARG 8 HH11 ARG 8 7.935 3.867 -6.386
81 HH12 ARG 8 HH12 ARG 8 7.363 4.304 -7.963
82 HH21 ARG 8 HH21 ARG 8 4.383 2.463 -7.724
83 HH22 ARG 8 HH22 ARG 8 5.345 3.506 -8.728
84 H GLY 9 HN GLY 9 4.634 -0.767 -0.861
85 HA2 GLY 9 HA2 GLY 9 1.945 -1.541 -1.513
86 HA3 GLY 9 HA1 GLY 9 3.112 -2.491 -0.596
87 H TYR 10 HN TYR 10 3.189 0.359 0.897
88 HA TYR 10 HA TYR 10 1.145 -0.350 2.828
89 HB2 TYR 10 HB2 TYR 10 3.045 0.191 4.007
90 HB3 TYR 10 HB1 TYR 10 3.581 1.357 2.811
91 HD1 TYR 10 HD1 TYR 10 0.711 0.980 5.205
92 HD2 TYR 10 HD2 TYR 10 3.654 3.504 3.468
93 HE1 TYR 10 HE1 TYR 10 -0.044 2.835 6.639
94 HE2 TYR 10 HE2 TYR 10 2.912 5.368 4.887
95 HH TYR 10 HH TYR 10 0.919 6.066 6.123
96 H TRP 11 HN TRP 11 2.129 2.646 1.072
97 HA TRP 11 HA TRP 11 -0.306 3.863 1.986
98 HB2 TRP 11 HB2 TRP 11 0.482 5.918 0.930
99 HB3 TRP 11 HB1 TRP 11 1.684 5.220 2.000
100 HD1 TRP 11 HD1 TRP 11 3.898 4.185 0.804
101 HE1 TRP 11 HE1 TRP 11 5.012 4.779 -1.444
102 HE3 TRP 11 HE3 TRP 11 -0.011 6.595 -1.404
103 HZ2 TRP 11 HZ2 TRP 11 4.311 6.105 -3.835
104 HZ3 TRP 11 HZ3 TRP 11 0.285 7.511 -3.669
105 HH2 TRP 11 HH2 TRP 11 2.404 7.270 -4.862
106 H LEU 12 HN LEU 12 0.625 2.282 -0.954
107 HA LEU 12 HA LEU 12 -1.408 3.563 -2.552
108 HB2 LEU 12 HB2 LEU 12 0.183 1.030 -2.997
109 HB3 LEU 12 HB1 LEU 12 -0.909 1.738 -4.174
110 HG LEU 12 HG LEU 12 1.541 3.127 -3.089
111 HD11 LEU 12 HD11 LEU 12 1.134 1.694 -5.715
112 HD12 LEU 12 HD12 LEU 12 2.168 1.157 -4.390
113 HD13 LEU 12 HD13 LEU 12 2.551 2.641 -5.263
114 HD21 LEU 12 HD21 LEU 12 -0.327 3.767 -5.362
115 HD22 LEU 12 HD22 LEU 12 1.162 4.635 -4.986
116 HD23 LEU 12 HD23 LEU 12 -0.177 4.643 -3.839
117 H THR 13 HN THR 13 -0.913 0.703 -0.714
118 HA THR 13 HA THR 13 -3.353 -0.596 -1.188
119 HB THR 13 HB THR 13 -1.433 -0.806 1.130
120 HG1 THR 13 HG1 THR 13 -0.183 -2.059 -0.174
121 HG21 THR 13 HG21 THR 13 -3.266 -2.792 -0.157
122 HG22 THR 13 HG22 THR 13 -3.463 -2.059 1.435
123 HG23 THR 13 HG23 THR 13 -2.107 -3.142 1.120
124 H ASN 14 HN ASN 14 -2.522 2.152 0.623
125 HA ASN 14 HA ASN 14 -4.812 1.844 2.418
126 HB2 ASN 14 HB2 ASN 14 -2.298 3.373 2.530
127 HB3 ASN 14 HB1 ASN 14 -3.716 4.172 3.194
128 HD21 ASN 14 HD21 ASN 14 -1.548 1.468 3.493
129 HD22 ASN 14 HD22 ASN 14 -2.028 1.009 5.095
130 H LYS 15 HN LYS 15 -3.435 4.211 0.119
131 HA LYS 15 HA LYS 15 -5.555 6.055 0.352
132 HB2 LYS 15 HB2 LYS 15 -4.689 7.083 -1.694
133 HB3 LYS 15 HB1 LYS 15 -3.418 6.746 -0.540
134 HG2 LYS 15 HG2 LYS 15 -2.517 6.198 -2.625
135 HG3 LYS 15 HG1 LYS 15 -2.946 4.654 -1.893
136 HD2 LYS 15 HD2 LYS 15 -4.897 4.465 -3.244
137 HD3 LYS 15 HD1 LYS 15 -4.733 6.123 -3.817
138 HE2 LYS 15 HE2 LYS 15 -2.624 4.048 -4.325
139 HE3 LYS 15 HE1 LYS 15 -4.011 4.248 -5.395
140 HZ1 LYS 15 HZ1 LYS 15 -3.365 6.495 -5.825
141 HZ2 LYS 15 HZ2 LYS 15 -2.034 5.496 -6.117
142 HZ3 LYS 15 HZ3 LYS 15 -2.105 6.419 -4.702
143 H VAL 16 HN VAL 16 -5.266 3.153 -1.360
144 HA VAL 16 HA VAL 16 -7.150 3.450 -3.372
145 HB VAL 16 HB VAL 16 -5.753 1.504 -3.349
146 HG11 VAL 16 HG11 VAL 16 -5.885 -0.228 -1.662
147 HG12 VAL 16 HG12 VAL 16 -7.145 0.663 -0.808
148 HG13 VAL 16 HG13 VAL 16 -5.508 1.322 -0.896
149 HG21 VAL 16 HG21 VAL 16 -7.941 1.233 -4.392
150 HG22 VAL 16 HG22 VAL 16 -8.622 0.705 -2.852
151 HG23 VAL 16 HG23 VAL 16 -7.402 -0.280 -3.664
152 HA PRO 17 HA PRO 17 -10.819 3.876 -0.812
153 HB2 PRO 17 HB2 PRO 17 -12.491 4.281 -2.936
154 HB3 PRO 17 HB1 PRO 17 -11.533 5.566 -2.194
155 HG2 PRO 17 HG2 PRO 17 -11.008 4.003 -4.684
156 HG3 PRO 17 HG1 PRO 17 -10.739 5.725 -4.363
157 HD2 PRO 17 HD2 PRO 17 -8.741 3.888 -4.327
158 HD3 PRO 17 HD1 PRO 17 -8.728 5.339 -3.314
159 H ILE 18 HN ILE 18 -11.627 2.042 -0.056
160 HA ILE 18 HA ILE 18 -12.081 -0.220 -1.823
161 HB ILE 18 HB ILE 18 -12.724 -1.447 0.239
162 HG12 ILE 18 HG12 ILE 18 -11.934 1.112 1.653
163 HG13 ILE 18 HG11 ILE 18 -13.577 0.496 1.519
164 HG21 ILE 18 HG21 ILE 18 -10.070 -0.016 0.354
165 HG22 ILE 18 HG22 ILE 18 -10.427 -1.482 -0.559
166 HG23 ILE 18 HG23 ILE 18 -10.468 -1.510 1.204
167 HD11 ILE 18 HD11 ILE 18 -12.941 -1.475 2.805
168 HD12 ILE 18 HD12 ILE 18 -12.614 0.011 3.697
169 HD13 ILE 18 HD13 ILE 18 -11.292 -0.865 2.926
170 H LYS 19 HN LYS 19 -13.614 1.949 -2.434
171 HA LYS 19 HA LYS 19 -16.270 1.549 -1.295
172 HB2 LYS 19 HB2 LYS 19 -15.236 3.585 -3.280
173 HB3 LYS 19 HB1 LYS 19 -16.856 3.564 -2.602
174 HG2 LYS 19 HG2 LYS 19 -16.030 4.034 -0.414
175 HG3 LYS 19 HG1 LYS 19 -14.360 3.821 -0.944
176 HD2 LYS 19 HD2 LYS 19 -14.930 6.189 -0.730
177 HD3 LYS 19 HD1 LYS 19 -14.564 5.767 -2.401
178 HE2 LYS 19 HE2 LYS 19 -16.978 5.604 -2.860
179 HE3 LYS 19 HE1 LYS 19 -17.312 6.095 -1.203
180 HZ1 LYS 19 HZ1 LYS 19 -15.923 7.710 -3.268
181 HZ2 LYS 19 HZ2 LYS 19 -16.154 8.187 -1.663
182 HZ3 LYS 19 HZ3 LYS 19 -17.487 7.965 -2.678
183 H ARG 20 HN ARG 20 -14.420 0.942 -4.143
184 HA ARG 20 HA ARG 20 -16.482 0.436 -5.978
185 HB2 ARG 20 HB2 ARG 20 -14.762 -0.868 -7.201
186 HB3 ARG 20 HB1 ARG 20 -14.197 0.719 -6.722
187 HG2 ARG 20 HG2 ARG 20 -13.041 -0.315 -4.822
188 HG3 ARG 20 HG1 ARG 20 -13.551 -1.899 -5.394
189 HD2 ARG 20 HD2 ARG 20 -11.845 0.060 -6.922
190 HD3 ARG 20 HD1 ARG 20 -11.251 -1.362 -6.072
191 HE ARG 20 HE ARG 20 -12.570 -2.714 -7.660
192 HH11 ARG 20 HH11 ARG 20 -11.856 0.616 -8.521
193 HH12 ARG 20 HH12 ARG 20 -11.891 0.313 -10.227
194 HH21 ARG 20 HH21 ARG 20 -12.625 -3.103 -9.910
195 HH22 ARG 20 HH22 ARG 20 -12.322 -1.799 -11.017
196 HA PRO 21 HA PRO 21 -17.939 -3.409 -4.298
197 HB2 PRO 21 HB2 PRO 21 -19.843 -3.927 -6.099
198 HB3 PRO 21 HB1 PRO 21 -19.994 -2.571 -4.976
199 HG2 PRO 21 HG2 PRO 21 -19.176 -2.566 -7.854
200 HG3 PRO 21 HG1 PRO 21 -20.227 -1.432 -6.987
201 HD2 PRO 21 HD2 PRO 21 -17.557 -0.991 -7.547
202 HD3 PRO 21 HD1 PRO 21 -18.460 -0.191 -6.248
203 H SER 22 HN SER 22 -15.612 -3.338 -6.169
204 HA SER 22 HA SER 22 -15.640 -6.129 -6.877
205 HB2 SER 22 HB2 SER 22 -15.237 -4.031 -9.029
206 HB3 SER 22 HB1 SER 22 -15.028 -5.769 -9.238
207 HG SER 22 HG SER 22 -17.439 -5.293 -8.165
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 11.957 -8.097 3.793
2 H2 LEU 1 HT2 LEU 1 10.456 -8.733 3.340
3 H3 LEU 1 HT3 LEU 1 10.654 -7.063 3.498
4 HA LEU 1 HA LEU 1 12.035 -8.764 1.524
5 HB2 LEU 1 HB2 LEU 1 9.615 -8.546 1.091
6 HB3 LEU 1 HB1 LEU 1 9.774 -6.801 1.138
7 HG LEU 1 HG LEU 1 11.278 -6.915 -0.832
8 HD11 LEU 1 HD11 LEU 1 12.143 -9.148 -0.576
9 HD12 LEU 1 HD12 LEU 1 11.325 -9.013 -2.130
10 HD13 LEU 1 HD13 LEU 1 10.534 -9.834 -0.787
11 HD21 LEU 1 HD21 LEU 1 8.566 -8.180 -1.195
12 HD22 LEU 1 HD22 LEU 1 9.523 -7.412 -2.461
13 HD23 LEU 1 HD23 LEU 1 8.909 -6.452 -1.117
14 H ARG 2 HN ARG 2 10.969 -5.378 1.909
15 HA ARG 2 HA ARG 2 13.616 -4.324 2.007
16 HB2 ARG 2 HB2 ARG 2 13.127 -5.053 -0.489
17 HB3 ARG 2 HB1 ARG 2 12.177 -3.573 -0.505
18 HG2 ARG 2 HG2 ARG 2 14.273 -2.998 -1.387
19 HG3 ARG 2 HG1 ARG 2 14.260 -2.371 0.260
20 HD2 ARG 2 HD2 ARG 2 15.497 -5.002 -0.535
21 HD3 ARG 2 HD1 ARG 2 16.393 -3.491 -0.422
22 HE ARG 2 HE ARG 2 15.425 -3.583 2.016
23 HH11 ARG 2 HH11 ARG 2 16.745 -6.192 0.088
24 HH12 ARG 2 HH12 ARG 2 17.266 -7.112 1.461
25 HH21 ARG 2 HH21 ARG 2 16.117 -4.800 3.831
26 HH22 ARG 2 HH22 ARG 2 16.901 -6.327 3.589
27 H LEU 3 HN LEU 3 13.434 -1.793 1.654
28 HA LEU 3 HA LEU 3 11.314 -0.960 3.358
29 HB2 LEU 3 HB2 LEU 3 13.457 0.078 3.603
30 HB3 LEU 3 HB1 LEU 3 13.455 0.589 1.926
31 HG LEU 3 HG LEU 3 11.636 2.152 2.377
32 HD11 LEU 3 HD11 LEU 3 11.841 1.193 5.226
33 HD12 LEU 3 HD12 LEU 3 10.493 0.900 4.123
34 HD13 LEU 3 HD13 LEU 3 10.859 2.544 4.656
35 HD21 LEU 3 HD21 LEU 3 13.937 2.915 2.655
36 HD22 LEU 3 HD22 LEU 3 13.905 2.414 4.346
37 HD23 LEU 3 HD23 LEU 3 12.855 3.720 3.793
38 H ILE 4 HN ILE 4 12.225 0.355 0.200
39 HA ILE 4 HA ILE 4 9.935 1.885 -0.142
40 HB ILE 4 HB ILE 4 11.930 0.799 -2.091
41 HG12 ILE 4 HG12 ILE 4 12.586 2.558 -0.471
42 HG13 ILE 4 HG11 ILE 4 12.699 3.092 -2.144
43 HG21 ILE 4 HG21 ILE 4 9.866 0.995 -3.343
44 HG22 ILE 4 HG22 ILE 4 10.986 2.276 -3.809
45 HG23 ILE 4 HG23 ILE 4 9.630 2.636 -2.737
46 HD11 ILE 4 HD11 ILE 4 10.525 3.772 -0.179
47 HD12 ILE 4 HD12 ILE 4 10.531 4.243 -1.878
48 HD13 ILE 4 HD13 ILE 4 11.780 4.848 -0.791
49 H HIS 5 HN HIS 5 10.516 -1.457 -0.982
50 HA HIS 5 HA HIS 5 8.219 -1.751 -2.649
51 HB2 HIS 5 HB2 HIS 5 9.825 -3.880 -1.213
52 HB3 HIS 5 HB1 HIS 5 8.679 -4.158 -2.521
53 HD1 HIS 5 HD1 HIS 5 9.638 -4.153 -4.826
54 HD2 HIS 5 HD2 HIS 5 12.098 -2.239 -2.077
55 HE1 HIS 5 HE1 HIS 5 11.728 -3.553 -6.086
56 HE2 HIS 5 HE2 HIS 5 13.129 -2.257 -4.451
57 H ALA 6 HN ALA 6 8.786 -1.766 0.725
58 HA ALA 6 HA ALA 6 6.249 -3.033 1.370
59 HB1 ALA 6 HB1 ALA 6 8.264 -3.466 2.737
60 HB2 ALA 6 HB2 ALA 6 6.950 -2.763 3.678
61 HB3 ALA 6 HB3 ALA 6 8.311 -1.756 3.171
62 H VAL 7 HN VAL 7 7.858 0.049 1.369
63 HA VAL 7 HA VAL 7 5.993 1.693 2.579
64 HB VAL 7 HB VAL 7 8.016 2.158 0.409
65 HG11 VAL 7 HG11 VAL 7 6.144 4.194 1.597
66 HG12 VAL 7 HG12 VAL 7 6.372 3.788 -0.113
67 HG13 VAL 7 HG13 VAL 7 7.653 4.611 0.784
68 HG21 VAL 7 HG21 VAL 7 9.151 3.412 2.183
69 HG22 VAL 7 HG22 VAL 7 8.861 1.727 2.625
70 HG23 VAL 7 HG23 VAL 7 7.837 3.003 3.289
71 H ARG 8 HN ARG 8 6.372 1.002 -0.879
72 HA ARG 8 HA ARG 8 4.175 2.582 -1.662
73 HB2 ARG 8 HB2 ARG 8 5.607 0.343 -3.082
74 HB3 ARG 8 HB1 ARG 8 4.452 1.434 -3.848
75 HG2 ARG 8 HG2 ARG 8 5.886 3.334 -3.305
76 HG3 ARG 8 HG1 ARG 8 7.040 2.245 -2.535
77 HD2 ARG 8 HD2 ARG 8 7.797 2.774 -4.766
78 HD3 ARG 8 HD1 ARG 8 7.323 1.079 -4.694
79 HE ARG 8 HE ARG 8 5.377 1.598 -5.949
80 HH11 ARG 8 HH11 ARG 8 7.578 4.294 -5.573
81 HH12 ARG 8 HH12 ARG 8 6.949 5.170 -6.930
82 HH21 ARG 8 HH21 ARG 8 4.528 2.752 -7.732
83 HH22 ARG 8 HH22 ARG 8 5.200 4.292 -8.159
84 H GLY 9 HN GLY 9 4.498 -0.852 -0.954
85 HA2 GLY 9 HA2 GLY 9 1.781 -1.474 -1.607
86 HA3 GLY 9 HA1 GLY 9 2.889 -2.489 -0.696
87 H TYR 10 HN TYR 10 3.092 0.332 0.827
88 HA TYR 10 HA TYR 10 1.061 -0.335 2.780
89 HB2 TYR 10 HB2 TYR 10 3.020 0.136 3.909
90 HB3 TYR 10 HB1 TYR 10 3.533 1.326 2.727
91 HD1 TYR 10 HD1 TYR 10 3.628 3.463 3.413
92 HD2 TYR 10 HD2 TYR 10 0.758 0.905 5.213
93 HE1 TYR 10 HE1 TYR 10 2.930 5.303 4.883
94 HE2 TYR 10 HE2 TYR 10 0.039 2.733 6.692
95 HH TYR 10 HH TYR 10 1.076 5.999 6.216
96 H TRP 11 HN TRP 11 2.105 2.653 1.048
97 HA TRP 11 HA TRP 11 -0.305 3.929 1.960
98 HB2 TRP 11 HB2 TRP 11 0.518 5.955 0.871
99 HB3 TRP 11 HB1 TRP 11 1.715 5.245 1.939
100 HD1 TRP 11 HD1 TRP 11 3.873 4.088 0.715
101 HE1 TRP 11 HE1 TRP 11 4.991 4.664 -1.533
102 HE3 TRP 11 HE3 TRP 11 0.050 6.687 -1.445
103 HZ2 TRP 11 HZ2 TRP 11 4.337 6.040 -3.902
104 HZ3 TRP 11 HZ3 TRP 11 0.381 7.618 -3.703
105 HH2 TRP 11 HH2 TRP 11 2.480 7.296 -4.904
106 H LEU 12 HN LEU 12 0.624 2.361 -1.002
107 HA LEU 12 HA LEU 12 -1.432 3.625 -2.577
108 HB2 LEU 12 HB2 LEU 12 0.175 1.101 -3.035
109 HB3 LEU 12 HB1 LEU 12 -0.937 1.790 -4.202
110 HG LEU 12 HG LEU 12 1.523 3.191 -3.159
111 HD11 LEU 12 HD11 LEU 12 2.487 2.718 -5.354
112 HD12 LEU 12 HD12 LEU 12 1.057 1.782 -5.788
113 HD13 LEU 12 HD13 LEU 12 2.114 1.228 -4.490
114 HD21 LEU 12 HD21 LEU 12 1.091 4.705 -5.054
115 HD22 LEU 12 HD22 LEU 12 -0.200 4.720 -3.853
116 HD23 LEU 12 HD23 LEU 12 -0.417 3.845 -5.370
117 H THR 13 HN THR 13 -0.963 0.852 -0.623
118 HA THR 13 HA THR 13 -3.453 -0.397 -1.234
119 HB THR 13 HB THR 13 -1.230 -0.933 0.736
120 HG1 THR 13 HG1 THR 13 -1.525 -1.325 -1.916
121 HG21 THR 13 HG21 THR 13 -3.536 -2.667 -0.067
122 HG22 THR 13 HG22 THR 13 -3.260 -1.944 1.517
123 HG23 THR 13 HG23 THR 13 -2.156 -3.173 0.903
124 H ASN 14 HN ASN 14 -2.505 2.170 0.709
125 HA ASN 14 HA ASN 14 -4.706 1.735 2.600
126 HB2 ASN 14 HB2 ASN 14 -2.297 3.479 2.619
127 HB3 ASN 14 HB1 ASN 14 -3.716 4.001 3.512
128 HD21 ASN 14 HD21 ASN 14 -2.811 0.648 3.108
129 HD22 ASN 14 HD22 ASN 14 -2.392 0.363 4.757
130 H LYS 15 HN LYS 15 -3.581 3.959 0.097
131 HA LYS 15 HA LYS 15 -5.626 5.884 0.486
132 HB2 LYS 15 HB2 LYS 15 -4.916 6.803 -1.676
133 HB3 LYS 15 HB1 LYS 15 -3.561 6.502 -0.607
134 HG2 LYS 15 HG2 LYS 15 -2.788 5.783 -2.662
135 HG3 LYS 15 HG1 LYS 15 -3.314 4.288 -1.893
136 HD2 LYS 15 HD2 LYS 15 -5.399 4.357 -3.132
137 HD3 LYS 15 HD1 LYS 15 -4.948 5.901 -3.851
138 HE2 LYS 15 HE2 LYS 15 -3.324 3.392 -4.195
139 HE3 LYS 15 HE1 LYS 15 -4.611 3.860 -5.305
140 HZ1 LYS 15 HZ1 LYS 15 -2.215 5.504 -4.686
141 HZ2 LYS 15 HZ2 LYS 15 -3.421 5.881 -5.803
142 HZ3 LYS 15 HZ3 LYS 15 -2.412 4.555 -6.072
143 H VAL 16 HN VAL 16 -5.495 2.919 -1.164
144 HA VAL 16 HA VAL 16 -7.520 3.081 -3.010
145 HB VAL 16 HB VAL 16 -6.210 1.092 -2.886
146 HG11 VAL 16 HG11 VAL 16 -6.246 -0.441 -1.008
147 HG12 VAL 16 HG12 VAL 16 -7.391 0.593 -0.156
148 HG13 VAL 16 HG13 VAL 16 -5.749 1.166 -0.465
149 HG21 VAL 16 HG21 VAL 16 -8.440 0.734 -3.738
150 HG22 VAL 16 HG22 VAL 16 -9.064 0.507 -2.104
151 HG23 VAL 16 HG23 VAL 16 -7.948 -0.673 -2.794
152 HA PRO 17 HA PRO 17 -10.975 4.019 -0.283
153 HB2 PRO 17 HB2 PRO 17 -12.788 4.219 -2.326
154 HB3 PRO 17 HB1 PRO 17 -11.731 5.540 -1.816
155 HG2 PRO 17 HG2 PRO 17 -11.439 3.651 -4.111
156 HG3 PRO 17 HG1 PRO 17 -11.090 5.387 -4.036
157 HD2 PRO 17 HD2 PRO 17 -9.148 3.505 -3.898
158 HD3 PRO 17 HD1 PRO 17 -9.029 5.055 -3.049
159 H ILE 18 HN ILE 18 -11.701 2.324 0.795
160 HA ILE 18 HA ILE 18 -13.355 0.370 -0.605
161 HB ILE 18 HB ILE 18 -12.418 -1.430 0.947
162 HG12 ILE 18 HG12 ILE 18 -10.129 0.544 1.104
163 HG13 ILE 18 HG11 ILE 18 -11.174 0.074 2.439
164 HG21 ILE 18 HG21 ILE 18 -10.547 -1.950 -0.581
165 HG22 ILE 18 HG22 ILE 18 -10.707 -0.338 -1.278
166 HG23 ILE 18 HG23 ILE 18 -12.027 -1.497 -1.426
167 HD11 ILE 18 HD11 ILE 18 -9.047 -1.068 2.564
168 HD12 ILE 18 HD12 ILE 18 -9.284 -1.729 0.946
169 HD13 ILE 18 HD13 ILE 18 -10.347 -2.221 2.264
170 H LYS 19 HN LYS 19 -14.073 2.606 0.881
171 HA LYS 19 HA LYS 19 -15.117 1.487 3.383
172 HB2 LYS 19 HB2 LYS 19 -15.071 4.331 2.359
173 HB3 LYS 19 HB1 LYS 19 -15.823 3.835 3.867
174 HG2 LYS 19 HG2 LYS 19 -12.899 3.618 3.179
175 HG3 LYS 19 HG1 LYS 19 -13.637 4.781 4.283
176 HD2 LYS 19 HD2 LYS 19 -14.381 2.915 5.711
177 HD3 LYS 19 HD1 LYS 19 -13.582 1.782 4.621
178 HE2 LYS 19 HE2 LYS 19 -12.160 2.197 6.520
179 HE3 LYS 19 HE1 LYS 19 -11.433 2.906 5.080
180 HZ1 LYS 19 HZ1 LYS 19 -12.930 4.358 7.192
181 HZ2 LYS 19 HZ2 LYS 19 -12.327 5.062 5.779
182 HZ3 LYS 19 HZ3 LYS 19 -11.261 4.419 6.917
183 H ARG 20 HN ARG 20 -15.990 2.440 0.209
184 HA ARG 20 HA ARG 20 -18.835 2.282 0.670
185 HB2 ARG 20 HB2 ARG 20 -17.309 2.251 -1.944
186 HB3 ARG 20 HB1 ARG 20 -19.013 2.588 -1.730
187 HG2 ARG 20 HG2 ARG 20 -16.725 4.280 -0.795
188 HG3 ARG 20 HG1 ARG 20 -17.832 4.639 -2.117
189 HD2 ARG 20 HD2 ARG 20 -18.589 4.368 0.790
190 HD3 ARG 20 HD1 ARG 20 -18.398 5.888 -0.079
191 HE ARG 20 HE ARG 20 -20.244 4.766 -1.575
192 HH11 ARG 20 HH11 ARG 20 -19.995 4.758 1.920
193 HH12 ARG 20 HH12 ARG 20 -21.711 4.719 2.164
194 HH21 ARG 20 HH21 ARG 20 -22.499 4.706 -1.254
195 HH22 ARG 20 HH22 ARG 20 -23.136 4.679 0.363
196 HA PRO 21 HA PRO 21 -19.166 -2.022 0.115
197 HB2 PRO 21 HB2 PRO 21 -21.484 -2.388 -1.212
198 HB3 PRO 21 HB1 PRO 21 -21.420 -1.718 0.421
199 HG2 PRO 21 HG2 PRO 21 -21.909 -0.359 -2.165
200 HG3 PRO 21 HG1 PRO 21 -22.498 0.050 -0.547
201 HD2 PRO 21 HD2 PRO 21 -20.350 1.248 -1.921
202 HD3 PRO 21 HD1 PRO 21 -20.768 1.477 -0.216
203 H SER 22 HN SER 22 -17.574 -0.778 -1.986
204 HA SER 22 HA SER 22 -16.517 -1.298 -3.923
205 HB2 SER 22 HB2 SER 22 -17.463 -4.093 -3.254
206 HB3 SER 22 HB1 SER 22 -16.104 -3.671 -4.294
207 HG SER 22 HG SER 22 -16.296 -3.696 -1.534
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 12.916 -9.141 3.345
2 H2 LEU 1 HT2 LEU 1 13.704 -7.963 2.427
3 H3 LEU 1 HT3 LEU 1 12.369 -8.775 1.790
4 HA LEU 1 HA LEU 1 10.929 -7.804 3.439
5 HB2 LEU 1 HB2 LEU 1 12.578 -7.566 5.216
6 HB3 LEU 1 HB1 LEU 1 13.447 -6.367 4.282
7 HG LEU 1 HG LEU 1 11.499 -4.849 4.454
8 HD11 LEU 1 HD11 LEU 1 9.713 -5.372 6.052
9 HD12 LEU 1 HD12 LEU 1 10.382 -6.990 6.260
10 HD13 LEU 1 HD13 LEU 1 9.734 -6.499 4.696
11 HD21 LEU 1 HD21 LEU 1 13.338 -4.691 6.055
12 HD22 LEU 1 HD22 LEU 1 12.535 -5.864 7.098
13 HD23 LEU 1 HD23 LEU 1 11.795 -4.290 6.811
14 H ARG 2 HN ARG 2 13.554 -5.646 2.368
15 HA ARG 2 HA ARG 2 13.644 -3.948 0.880
16 HB2 ARG 2 HB2 ARG 2 11.348 -5.461 -0.180
17 HB3 ARG 2 HB1 ARG 2 11.450 -3.775 -0.655
18 HG2 ARG 2 HG2 ARG 2 12.501 -5.372 -2.248
19 HG3 ARG 2 HG1 ARG 2 13.583 -4.110 -1.663
20 HD2 ARG 2 HD2 ARG 2 14.498 -5.707 -0.021
21 HD3 ARG 2 HD1 ARG 2 13.445 -6.957 -0.676
22 HE ARG 2 HE ARG 2 15.224 -5.679 -2.576
23 HH11 ARG 2 HH11 ARG 2 14.703 -8.367 -0.392
24 HH12 ARG 2 HH12 ARG 2 15.862 -9.391 -1.177
25 HH21 ARG 2 HH21 ARG 2 16.757 -7.037 -3.606
26 HH22 ARG 2 HH22 ARG 2 17.030 -8.638 -2.994
27 H LEU 3 HN LEU 3 13.331 -1.922 1.179
28 HA LEU 3 HA LEU 3 11.430 -1.086 3.155
29 HB2 LEU 3 HB2 LEU 3 13.644 -0.197 3.307
30 HB3 LEU 3 HB1 LEU 3 13.595 0.342 1.639
31 HG LEU 3 HG LEU 3 11.965 2.055 2.198
32 HD11 LEU 3 HD11 LEU 3 12.179 1.016 5.015
33 HD12 LEU 3 HD12 LEU 3 10.772 0.889 3.958
34 HD13 LEU 3 HD13 LEU 3 11.320 2.472 4.513
35 HD21 LEU 3 HD21 LEU 3 13.378 3.467 3.597
36 HD22 LEU 3 HD22 LEU 3 14.336 2.592 2.403
37 HD23 LEU 3 HD23 LEU 3 14.317 2.057 4.083
38 H ILE 4 HN ILE 4 12.176 -0.077 -0.147
39 HA ILE 4 HA ILE 4 10.102 1.816 -0.301
40 HB ILE 4 HB ILE 4 11.767 0.459 -2.390
41 HG12 ILE 4 HG12 ILE 4 12.840 2.037 -0.807
42 HG13 ILE 4 HG11 ILE 4 12.907 2.592 -2.478
43 HG21 ILE 4 HG21 ILE 4 9.729 0.985 -3.514
44 HG22 ILE 4 HG22 ILE 4 10.930 2.195 -3.970
45 HG23 ILE 4 HG23 ILE 4 9.682 2.592 -2.786
46 HD11 ILE 4 HD11 ILE 4 11.032 3.567 -0.336
47 HD12 ILE 4 HD12 ILE 4 11.008 4.091 -2.018
48 HD13 ILE 4 HD13 ILE 4 12.413 4.434 -1.009
49 H HIS 5 HN HIS 5 10.226 -1.588 -1.008
50 HA HIS 5 HA HIS 5 7.764 -1.638 -2.496
51 HB2 HIS 5 HB2 HIS 5 9.276 -3.918 -1.202
52 HB3 HIS 5 HB1 HIS 5 7.974 -4.080 -2.377
53 HD1 HIS 5 HD1 HIS 5 8.701 -4.243 -4.754
54 HD2 HIS 5 HD2 HIS 5 11.581 -2.490 -2.333
55 HE1 HIS 5 HE1 HIS 5 10.696 -3.857 -6.235
56 HE2 HIS 5 HE2 HIS 5 12.350 -2.636 -4.797
57 H ALA 6 HN ALA 6 8.712 -1.850 0.809
58 HA ALA 6 HA ALA 6 6.176 -2.864 1.741
59 HB1 ALA 6 HB1 ALA 6 8.269 -3.400 2.921
60 HB2 ALA 6 HB2 ALA 6 7.125 -2.549 3.962
61 HB3 ALA 6 HB3 ALA 6 8.497 -1.684 3.266
62 H VAL 7 HN VAL 7 7.798 0.113 1.173
63 HA VAL 7 HA VAL 7 6.055 1.803 2.620
64 HB VAL 7 HB VAL 7 8.038 2.290 0.414
65 HG11 VAL 7 HG11 VAL 7 6.390 3.941 -0.028
66 HG12 VAL 7 HG12 VAL 7 7.687 4.743 0.869
67 HG13 VAL 7 HG13 VAL 7 6.191 4.295 1.695
68 HG21 VAL 7 HG21 VAL 7 9.213 3.517 2.191
69 HG22 VAL 7 HG22 VAL 7 8.953 1.819 2.588
70 HG23 VAL 7 HG23 VAL 7 7.934 3.060 3.321
71 H ARG 8 HN ARG 8 6.415 1.194 -0.854
72 HA ARG 8 HA ARG 8 4.142 2.697 -1.572
73 HB2 ARG 8 HB2 ARG 8 5.655 0.562 -3.067
74 HB3 ARG 8 HB1 ARG 8 4.433 1.607 -3.790
75 HG2 ARG 8 HG2 ARG 8 5.785 3.567 -3.248
76 HG3 ARG 8 HG1 ARG 8 7.000 2.529 -2.505
77 HD2 ARG 8 HD2 ARG 8 7.699 3.130 -4.741
78 HD3 ARG 8 HD1 ARG 8 7.341 1.408 -4.671
79 HE ARG 8 HE ARG 8 5.213 3.160 -5.616
80 HH11 ARG 8 HH11 ARG 8 7.823 0.973 -6.420
81 HH12 ARG 8 HH12 ARG 8 7.219 0.622 -8.006
82 HH21 ARG 8 HH21 ARG 8 4.405 2.705 -7.716
83 HH22 ARG 8 HH22 ARG 8 5.270 1.606 -8.743
84 H GLY 9 HN GLY 9 4.638 -0.742 -0.969
85 HA2 GLY 9 HA2 GLY 9 1.948 -1.488 -1.575
86 HA3 GLY 9 HA1 GLY 9 3.117 -2.454 -0.682
87 H TYR 10 HN TYR 10 3.193 0.344 0.890
88 HA TYR 10 HA TYR 10 1.192 -0.429 2.836
89 HB2 TYR 10 HB2 TYR 10 3.126 0.143 3.966
90 HB3 TYR 10 HB1 TYR 10 3.579 1.351 2.783
91 HD1 TYR 10 HD1 TYR 10 0.748 0.852 5.198
92 HD2 TYR 10 HD2 TYR 10 3.666 3.447 3.538
93 HE1 TYR 10 HE1 TYR 10 -0.003 2.642 6.708
94 HE2 TYR 10 HE2 TYR 10 2.929 5.251 5.028
95 HH TYR 10 HH TYR 10 0.867 5.880 6.283
96 H TRP 11 HN TRP 11 2.110 2.618 1.153
97 HA TRP 11 HA TRP 11 -0.368 3.746 2.073
98 HB2 TRP 11 HB2 TRP 11 0.399 5.857 1.160
99 HB3 TRP 11 HB1 TRP 11 1.623 5.115 2.173
100 HD1 TRP 11 HD1 TRP 11 3.834 4.168 0.884
101 HE1 TRP 11 HE1 TRP 11 4.926 4.951 -1.318
102 HE3 TRP 11 HE3 TRP 11 -0.113 6.706 -1.097
103 HZ2 TRP 11 HZ2 TRP 11 4.195 6.466 -3.589
104 HZ3 TRP 11 HZ3 TRP 11 0.158 7.818 -3.280
105 HH2 TRP 11 HH2 TRP 11 2.271 7.695 -4.501
106 H LEU 12 HN LEU 12 0.709 2.365 -0.934
107 HA LEU 12 HA LEU 12 -1.319 3.663 -2.522
108 HB2 LEU 12 HB2 LEU 12 0.415 1.243 -3.060
109 HB3 LEU 12 HB1 LEU 12 -0.678 1.955 -4.233
110 HG LEU 12 HG LEU 12 1.654 3.413 -2.991
111 HD11 LEU 12 HD11 LEU 12 1.403 2.121 -5.708
112 HD12 LEU 12 HD12 LEU 12 2.425 1.559 -4.387
113 HD13 LEU 12 HD13 LEU 12 2.752 3.112 -5.155
114 HD21 LEU 12 HD21 LEU 12 -0.136 4.867 -3.701
115 HD22 LEU 12 HD22 LEU 12 -0.185 4.081 -5.279
116 HD23 LEU 12 HD23 LEU 12 1.234 5.013 -4.803
117 H THR 13 HN THR 13 -0.934 0.939 -0.555
118 HA THR 13 HA THR 13 -3.252 -0.486 -1.408
119 HB THR 13 HB THR 13 -1.335 -0.791 0.906
120 HG1 THR 13 HG1 THR 13 -0.208 -2.119 -0.435
121 HG21 THR 13 HG21 THR 13 -2.091 -3.090 0.978
122 HG22 THR 13 HG22 THR 13 -3.295 -2.729 -0.258
123 HG23 THR 13 HG23 THR 13 -3.393 -1.955 1.322
124 H ASN 14 HN ASN 14 -2.622 2.163 0.591
125 HA ASN 14 HA ASN 14 -4.921 1.629 2.326
126 HB2 ASN 14 HB2 ASN 14 -2.438 3.164 2.629
127 HB3 ASN 14 HB1 ASN 14 -3.872 3.894 3.329
128 HD21 ASN 14 HD21 ASN 14 -1.653 1.238 3.475
129 HD22 ASN 14 HD22 ASN 14 -2.191 0.616 4.999
130 H LYS 15 HN LYS 15 -3.686 4.042 0.039
131 HA LYS 15 HA LYS 15 -5.578 6.061 0.445
132 HB2 LYS 15 HB2 LYS 15 -4.276 5.252 -2.161
133 HB3 LYS 15 HB1 LYS 15 -5.064 6.793 -1.847
134 HG2 LYS 15 HG2 LYS 15 -2.695 5.770 -0.324
135 HG3 LYS 15 HG1 LYS 15 -2.583 6.849 -1.720
136 HD2 LYS 15 HD2 LYS 15 -3.843 8.554 -0.564
137 HD3 LYS 15 HD1 LYS 15 -4.134 7.470 0.795
138 HE2 LYS 15 HE2 LYS 15 -1.397 8.368 -0.090
139 HE3 LYS 15 HE1 LYS 15 -2.335 9.169 1.169
140 HZ1 LYS 15 HZ1 LYS 15 -1.505 6.322 1.242
141 HZ2 LYS 15 HZ2 LYS 15 -2.297 7.170 2.470
142 HZ3 LYS 15 HZ3 LYS 15 -0.714 7.578 2.049
143 H VAL 16 HN VAL 16 -5.655 3.283 -1.651
144 HA VAL 16 HA VAL 16 -8.167 3.498 -2.772
145 HB VAL 16 HB VAL 16 -6.773 1.792 -3.574
146 HG11 VAL 16 HG11 VAL 16 -5.747 0.079 -2.181
147 HG12 VAL 16 HG12 VAL 16 -6.554 0.729 -0.756
148 HG13 VAL 16 HG13 VAL 16 -5.322 1.688 -1.580
149 HG21 VAL 16 HG21 VAL 16 -9.124 1.080 -3.426
150 HG22 VAL 16 HG22 VAL 16 -8.802 0.374 -1.841
151 HG23 VAL 16 HG23 VAL 16 -8.014 -0.283 -3.277
152 HA PRO 17 HA PRO 17 -10.540 3.186 1.061
153 HB2 PRO 17 HB2 PRO 17 -12.934 3.772 -0.078
154 HB3 PRO 17 HB1 PRO 17 -11.755 5.014 0.363
155 HG2 PRO 17 HG2 PRO 17 -12.298 3.782 -2.312
156 HG3 PRO 17 HG1 PRO 17 -12.009 5.484 -1.900
157 HD2 PRO 17 HD2 PRO 17 -10.081 3.890 -2.940
158 HD3 PRO 17 HD1 PRO 17 -9.724 5.198 -1.798
159 H ILE 18 HN ILE 18 -10.909 1.188 1.731
160 HA ILE 18 HA ILE 18 -11.939 -0.797 -0.136
161 HB ILE 18 HB ILE 18 -11.401 -2.461 1.611
162 HG12 ILE 18 HG12 ILE 18 -10.285 -0.100 3.145
163 HG13 ILE 18 HG11 ILE 18 -11.771 -0.949 3.556
164 HG21 ILE 18 HG21 ILE 18 -9.729 -1.920 -0.052
165 HG22 ILE 18 HG22 ILE 18 -8.952 -2.217 1.504
166 HG23 ILE 18 HG23 ILE 18 -9.162 -0.565 0.923
167 HD11 ILE 18 HD11 ILE 18 -9.009 -2.140 3.528
168 HD12 ILE 18 HD12 ILE 18 -10.498 -2.990 3.945
169 HD13 ILE 18 HD13 ILE 18 -9.926 -1.665 4.957
170 H LYS 19 HN LYS 19 -13.539 1.321 0.949
171 HA LYS 19 HA LYS 19 -15.475 -0.147 2.602
172 HB2 LYS 19 HB2 LYS 19 -15.121 2.833 2.250
173 HB3 LYS 19 HB1 LYS 19 -16.299 2.059 3.298
174 HG2 LYS 19 HG2 LYS 19 -14.523 1.129 4.659
175 HG3 LYS 19 HG1 LYS 19 -13.310 1.806 3.573
176 HD2 LYS 19 HD2 LYS 19 -13.509 3.214 5.524
177 HD3 LYS 19 HD1 LYS 19 -14.149 4.073 4.122
178 HE2 LYS 19 HE2 LYS 19 -16.422 3.448 4.794
179 HE3 LYS 19 HE1 LYS 19 -15.771 2.615 6.203
180 HZ1 LYS 19 HZ1 LYS 19 -15.545 5.522 5.646
181 HZ2 LYS 19 HZ2 LYS 19 -14.892 4.731 6.990
182 HZ3 LYS 19 HZ3 LYS 19 -16.568 4.805 6.787
183 H ARG 20 HN ARG 20 -14.902 1.109 -0.465
184 HA ARG 20 HA ARG 20 -17.729 1.358 -1.135
185 HB2 ARG 20 HB2 ARG 20 -16.926 2.092 -3.349
186 HB3 ARG 20 HB1 ARG 20 -16.251 3.061 -2.052
187 HG2 ARG 20 HG2 ARG 20 -14.163 1.757 -2.207
188 HG3 ARG 20 HG1 ARG 20 -14.852 0.872 -3.572
189 HD2 ARG 20 HD2 ARG 20 -15.117 3.002 -4.783
190 HD3 ARG 20 HD1 ARG 20 -14.365 3.846 -3.431
191 HE ARG 20 HE ARG 20 -12.708 1.750 -4.419
192 HH11 ARG 20 HH11 ARG 20 -13.717 5.049 -5.003
193 HH12 ARG 20 HH12 ARG 20 -12.300 5.459 -5.914
194 HH21 ARG 20 HH21 ARG 20 -10.822 2.289 -5.598
195 HH22 ARG 20 HH22 ARG 20 -10.650 3.886 -6.251
196 HA PRO 21 HA PRO 21 -18.013 -2.747 -2.647
197 HB2 PRO 21 HB2 PRO 21 -20.015 -2.525 -4.438
198 HB3 PRO 21 HB1 PRO 21 -20.282 -2.351 -2.699
199 HG2 PRO 21 HG2 PRO 21 -19.975 -0.229 -4.790
200 HG3 PRO 21 HG1 PRO 21 -21.140 -0.323 -3.455
201 HD2 PRO 21 HD2 PRO 21 -18.882 1.191 -3.353
202 HD3 PRO 21 HD1 PRO 21 -19.629 0.467 -1.916
203 H SER 22 HN SER 22 -15.768 -1.879 -3.729
204 HA SER 22 HA SER 22 -16.000 -2.743 -6.530
205 HB2 SER 22 HB2 SER 22 -15.496 -0.246 -6.230
206 HB3 SER 22 HB1 SER 22 -13.937 -0.746 -5.584
207 HG SER 22 HG SER 22 -14.922 -1.532 -8.130
Start of MODEL 11
1 H1 LEU 1 HT1 LEU 1 10.137 -9.104 2.624
2 H2 LEU 1 HT2 LEU 1 11.449 -8.746 1.623
3 H3 LEU 1 HT3 LEU 1 10.176 -7.650 1.766
4 HA LEU 1 HA LEU 1 10.680 -7.257 4.048
5 HB2 LEU 1 HB2 LEU 1 13.057 -8.227 4.707
6 HB3 LEU 1 HB1 LEU 1 11.572 -9.099 5.020
7 HG LEU 1 HG LEU 1 11.985 -10.359 2.861
8 HD11 LEU 1 HD11 LEU 1 14.722 -9.128 3.129
9 HD12 LEU 1 HD12 LEU 1 13.567 -8.817 1.834
10 HD13 LEU 1 HD13 LEU 1 14.272 -10.422 2.019
11 HD21 LEU 1 HD21 LEU 1 13.613 -11.867 3.892
12 HD22 LEU 1 HD22 LEU 1 12.393 -11.335 5.049
13 HD23 LEU 1 HD23 LEU 1 14.007 -10.625 5.081
14 H ARG 2 HN ARG 2 10.782 -5.589 2.177
15 HA ARG 2 HA ARG 2 13.507 -4.465 2.188
16 HB2 ARG 2 HB2 ARG 2 12.513 -5.404 -0.072
17 HB3 ARG 2 HB1 ARG 2 11.599 -3.901 -0.053
18 HG2 ARG 2 HG2 ARG 2 13.532 -3.558 -1.386
19 HG3 ARG 2 HG1 ARG 2 13.763 -2.676 0.124
20 HD2 ARG 2 HD2 ARG 2 15.807 -3.811 -0.469
21 HD3 ARG 2 HD1 ARG 2 15.118 -4.551 0.975
22 HE ARG 2 HE ARG 2 14.375 -5.830 -1.504
23 HH11 ARG 2 HH11 ARG 2 16.684 -5.717 1.121
24 HH12 ARG 2 HH12 ARG 2 17.244 -7.338 0.871
25 HH21 ARG 2 HH21 ARG 2 15.126 -7.945 -1.866
26 HH22 ARG 2 HH22 ARG 2 16.367 -8.608 -0.850
27 H LEU 3 HN LEU 3 13.263 -1.957 1.568
28 HA LEU 3 HA LEU 3 11.319 -0.936 3.448
29 HB2 LEU 3 HB2 LEU 3 13.532 -0.039 3.629
30 HB3 LEU 3 HB1 LEU 3 13.541 0.405 1.932
31 HG LEU 3 HG LEU 3 11.852 2.109 2.327
32 HD11 LEU 3 HD11 LEU 3 10.617 0.978 4.103
33 HD12 LEU 3 HD12 LEU 3 11.065 2.621 4.571
34 HD13 LEU 3 HD13 LEU 3 11.964 1.247 5.213
35 HD21 LEU 3 HD21 LEU 3 14.190 2.730 2.603
36 HD22 LEU 3 HD22 LEU 3 14.125 2.265 4.303
37 HD23 LEU 3 HD23 LEU 3 13.166 3.627 3.725
38 H ILE 4 HN ILE 4 12.276 0.186 0.229
39 HA ILE 4 HA ILE 4 10.062 1.848 -0.111
40 HB ILE 4 HB ILE 4 11.942 0.645 -2.113
41 HG12 ILE 4 HG12 ILE 4 12.948 2.156 -0.494
42 HG13 ILE 4 HG11 ILE 4 12.915 2.908 -2.085
43 HG21 ILE 4 HG21 ILE 4 9.849 2.760 -2.566
44 HG22 ILE 4 HG22 ILE 4 9.919 1.160 -3.308
45 HG23 ILE 4 HG23 ILE 4 11.148 2.365 -3.693
46 HD11 ILE 4 HD11 ILE 4 12.338 4.530 -0.422
47 HD12 ILE 4 HD12 ILE 4 11.079 3.482 0.225
48 HD13 ILE 4 HD13 ILE 4 10.907 4.173 -1.389
49 H HIS 5 HN HIS 5 10.481 -1.527 -0.905
50 HA HIS 5 HA HIS 5 8.160 -1.664 -2.594
51 HB2 HIS 5 HB2 HIS 5 9.745 -3.901 -1.308
52 HB3 HIS 5 HB1 HIS 5 8.540 -4.094 -2.580
53 HD1 HIS 5 HD1 HIS 5 9.404 -3.993 -4.922
54 HD2 HIS 5 HD2 HIS 5 12.018 -2.280 -2.186
55 HE1 HIS 5 HE1 HIS 5 11.450 -3.375 -6.241
56 HE2 HIS 5 HE2 HIS 5 12.971 -2.232 -4.593
57 H ALA 6 HN ALA 6 8.776 -1.722 0.729
58 HA ALA 6 HA ALA 6 6.259 -2.983 1.453
59 HB1 ALA 6 HB1 ALA 6 7.015 -2.572 3.751
60 HB2 ALA 6 HB2 ALA 6 8.399 -1.663 3.134
61 HB3 ALA 6 HB3 ALA 6 8.262 -3.394 2.811
62 H VAL 7 HN VAL 7 7.883 0.112 1.437
63 HA VAL 7 HA VAL 7 5.975 1.746 2.593
64 HB VAL 7 HB VAL 7 8.054 2.251 0.482
65 HG11 VAL 7 HG11 VAL 7 7.648 4.700 0.891
66 HG12 VAL 7 HG12 VAL 7 6.116 4.244 1.643
67 HG13 VAL 7 HG13 VAL 7 6.411 3.872 -0.063
68 HG21 VAL 7 HG21 VAL 7 7.793 3.013 3.380
69 HG22 VAL 7 HG22 VAL 7 9.112 3.515 2.319
70 HG23 VAL 7 HG23 VAL 7 8.878 1.806 2.690
71 H ARG 8 HN ARG 8 6.465 1.111 -0.865
72 HA ARG 8 HA ARG 8 4.296 2.703 -1.671
73 HB2 ARG 8 HB2 ARG 8 5.751 0.489 -3.100
74 HB3 ARG 8 HB1 ARG 8 4.613 1.590 -3.873
75 HG2 ARG 8 HG2 ARG 8 6.031 3.481 -3.306
76 HG3 ARG 8 HG1 ARG 8 7.151 2.408 -2.470
77 HD2 ARG 8 HD2 ARG 8 8.007 2.929 -4.671
78 HD3 ARG 8 HD1 ARG 8 7.569 1.225 -4.589
79 HE ARG 8 HE ARG 8 5.391 2.685 -5.605
80 HH11 ARG 8 HH11 ARG 8 8.606 1.655 -6.511
81 HH12 ARG 8 HH12 ARG 8 8.274 1.673 -8.212
82 HH21 ARG 8 HH21 ARG 8 4.948 2.695 -7.856
83 HH22 ARG 8 HH22 ARG 8 6.201 2.262 -8.973
84 H GLY 9 HN GLY 9 4.571 -0.780 -1.142
85 HA2 GLY 9 HA2 GLY 9 1.890 -1.383 -1.857
86 HA3 GLY 9 HA1 GLY 9 2.942 -2.389 -0.867
87 H TYR 10 HN TYR 10 3.193 0.232 0.808
88 HA TYR 10 HA TYR 10 1.088 -0.443 2.649
89 HB2 TYR 10 HB2 TYR 10 3.031 0.010 3.816
90 HB3 TYR 10 HB1 TYR 10 3.544 1.243 2.680
91 HD1 TYR 10 HD1 TYR 10 3.352 3.448 3.205
92 HD2 TYR 10 HD2 TYR 10 1.012 0.630 5.356
93 HE1 TYR 10 HE1 TYR 10 2.630 5.230 4.725
94 HE2 TYR 10 HE2 TYR 10 0.266 2.408 6.888
95 HH TYR 10 HH TYR 10 0.819 5.730 6.238
96 H TRP 11 HN TRP 11 2.097 2.617 1.003
97 HA TRP 11 HA TRP 11 -0.330 3.842 1.906
98 HB2 TRP 11 HB2 TRP 11 0.376 5.845 0.658
99 HB3 TRP 11 HB1 TRP 11 1.583 5.264 1.791
100 HD1 TRP 11 HD1 TRP 11 3.803 4.136 0.698
101 HE1 TRP 11 HE1 TRP 11 4.951 4.600 -1.556
102 HE3 TRP 11 HE3 TRP 11 -0.066 6.436 -1.725
103 HZ2 TRP 11 HZ2 TRP 11 4.308 5.777 -4.024
104 HZ3 TRP 11 HZ3 TRP 11 0.287 7.211 -4.033
105 HH2 TRP 11 HH2 TRP 11 2.431 6.888 -5.159
106 H LEU 12 HN LEU 12 0.718 2.445 -1.147
107 HA LEU 12 HA LEU 12 -1.416 3.410 -2.716
108 HB2 LEU 12 HB2 LEU 12 0.171 0.852 -2.937
109 HB3 LEU 12 HB1 LEU 12 -0.955 1.417 -4.155
110 HG LEU 12 HG LEU 12 1.476 2.970 -3.275
111 HD11 LEU 12 HD11 LEU 12 1.096 1.211 -5.700
112 HD12 LEU 12 HD12 LEU 12 2.141 0.862 -4.323
113 HD13 LEU 12 HD13 LEU 12 2.495 2.234 -5.372
114 HD21 LEU 12 HD21 LEU 12 1.054 4.226 -5.343
115 HD22 LEU 12 HD22 LEU 12 -0.290 4.340 -4.208
116 HD23 LEU 12 HD23 LEU 12 -0.409 3.276 -5.609
117 H THR 13 HN THR 13 -1.162 0.792 -0.438
118 HA THR 13 HA THR 13 -3.768 -0.284 -1.169
119 HB THR 13 HB THR 13 -1.533 -1.519 -0.355
120 HG1 THR 13 HG1 THR 13 -3.513 -2.477 -1.130
121 HG21 THR 13 HG21 THR 13 -3.150 -1.165 2.164
122 HG22 THR 13 HG22 THR 13 -1.508 -0.587 1.872
123 HG23 THR 13 HG23 THR 13 -1.829 -2.318 1.958
124 H ASN 14 HN ASN 14 -2.668 2.194 0.646
125 HA ASN 14 HA ASN 14 -4.542 1.836 2.865
126 HB2 ASN 14 HB2 ASN 14 -1.970 3.090 2.523
127 HB3 ASN 14 HB1 ASN 14 -3.130 4.201 3.244
128 HD21 ASN 14 HD21 ASN 14 -3.151 0.718 3.636
129 HD22 ASN 14 HD22 ASN 14 -2.758 0.717 5.317
130 H LYS 15 HN LYS 15 -3.591 4.328 0.499
131 HA LYS 15 HA LYS 15 -5.509 6.248 1.233
132 HB2 LYS 15 HB2 LYS 15 -4.415 5.835 -1.549
133 HB3 LYS 15 HB1 LYS 15 -5.007 7.335 -0.849
134 HG2 LYS 15 HG2 LYS 15 -2.572 5.834 0.064
135 HG3 LYS 15 HG1 LYS 15 -2.559 7.248 -0.994
136 HD2 LYS 15 HD2 LYS 15 -3.730 8.511 0.836
137 HD3 LYS 15 HD1 LYS 15 -3.465 7.112 1.880
138 HE2 LYS 15 HE2 LYS 15 -1.731 8.729 2.284
139 HE3 LYS 15 HE1 LYS 15 -1.031 7.329 1.475
140 HZ1 LYS 15 HZ1 LYS 15 -1.146 8.562 -0.622
141 HZ2 LYS 15 HZ2 LYS 15 -0.185 9.355 0.521
142 HZ3 LYS 15 HZ3 LYS 15 -1.748 9.911 0.199
143 H VAL 16 HN VAL 16 -5.560 3.695 -1.128
144 HA VAL 16 HA VAL 16 -8.015 4.073 -2.312
145 HB VAL 16 HB VAL 16 -6.532 2.452 -3.208
146 HG11 VAL 16 HG11 VAL 16 -6.736 0.952 -0.597
147 HG12 VAL 16 HG12 VAL 16 -5.361 1.940 -1.097
148 HG13 VAL 16 HG13 VAL 16 -5.783 0.481 -2.004
149 HG21 VAL 16 HG21 VAL 16 -8.918 1.071 -1.980
150 HG22 VAL 16 HG22 VAL 16 -7.924 0.396 -3.273
151 HG23 VAL 16 HG23 VAL 16 -8.848 1.873 -3.550
152 HA PRO 17 HA PRO 17 -10.669 3.387 1.262
153 HB2 PRO 17 HB2 PRO 17 -12.983 3.700 -0.207
154 HB3 PRO 17 HB1 PRO 17 -12.097 5.018 0.558
155 HG2 PRO 17 HG2 PRO 17 -12.108 4.137 -2.284
156 HG3 PRO 17 HG1 PRO 17 -11.986 5.772 -1.613
157 HD2 PRO 17 HD2 PRO 17 -9.850 4.411 -2.594
158 HD3 PRO 17 HD1 PRO 17 -9.712 5.600 -1.290
159 H ILE 18 HN ILE 18 -10.860 1.348 1.877
160 HA ILE 18 HA ILE 18 -12.232 -0.537 0.096
161 HB ILE 18 HB ILE 18 -10.795 -2.370 1.048
162 HG12 ILE 18 HG12 ILE 18 -9.046 -0.055 1.910
163 HG13 ILE 18 HG11 ILE 18 -9.951 -1.100 2.999
164 HG21 ILE 18 HG21 ILE 18 -10.460 -1.537 -1.207
165 HG22 ILE 18 HG22 ILE 18 -8.914 -1.951 -0.464
166 HG23 ILE 18 HG23 ILE 18 -9.407 -0.262 -0.594
167 HD11 ILE 18 HD11 ILE 18 -7.729 -1.976 1.168
168 HD12 ILE 18 HD12 ILE 18 -8.623 -3.007 2.286
169 HD13 ILE 18 HD13 ILE 18 -7.601 -1.712 2.908
170 H LYS 19 HN LYS 19 -13.384 1.014 2.094
171 HA LYS 19 HA LYS 19 -13.883 -0.878 4.279
172 HB2 LYS 19 HB2 LYS 19 -14.636 2.040 3.982
173 HB3 LYS 19 HB1 LYS 19 -15.034 1.042 5.373
174 HG2 LYS 19 HG2 LYS 19 -12.730 0.798 5.950
175 HG3 LYS 19 HG1 LYS 19 -12.218 1.568 4.449
176 HD2 LYS 19 HD2 LYS 19 -12.009 3.141 6.263
177 HD3 LYS 19 HD1 LYS 19 -13.315 3.658 5.198
178 HE2 LYS 19 HE2 LYS 19 -14.960 2.771 6.739
179 HE3 LYS 19 HE1 LYS 19 -13.683 2.144 7.780
180 HZ1 LYS 19 HZ1 LYS 19 -14.155 5.011 7.175
181 HZ2 LYS 19 HZ2 LYS 19 -12.948 4.402 8.190
182 HZ3 LYS 19 HZ3 LYS 19 -14.574 4.230 8.614
183 H ARG 20 HN ARG 20 -15.950 1.485 2.617
184 HA ARG 20 HA ARG 20 -17.944 -0.638 2.243
185 HB2 ARG 20 HB2 ARG 20 -19.548 1.201 1.810
186 HB3 ARG 20 HB1 ARG 20 -18.837 1.280 3.417
187 HG2 ARG 20 HG2 ARG 20 -17.303 3.013 2.653
188 HG3 ARG 20 HG1 ARG 20 -18.010 2.935 1.041
189 HD2 ARG 20 HD2 ARG 20 -18.913 4.808 2.306
190 HD3 ARG 20 HD1 ARG 20 -20.165 3.620 1.952
191 HE ARG 20 HE ARG 20 -18.910 3.292 4.527
192 HH11 ARG 20 HH11 ARG 20 -21.447 4.899 2.748
193 HH12 ARG 20 HH12 ARG 20 -22.470 5.106 4.132
194 HH21 ARG 20 HH21 ARG 20 -20.249 3.563 6.366
195 HH22 ARG 20 HH22 ARG 20 -21.789 4.338 6.193
196 HA PRO 21 HA PRO 21 -16.846 -0.494 -2.073
197 HB2 PRO 21 HB2 PRO 21 -18.685 -2.231 -2.998
198 HB3 PRO 21 HB1 PRO 21 -17.296 -2.757 -2.041
199 HG2 PRO 21 HG2 PRO 21 -20.134 -2.370 -1.208
200 HG3 PRO 21 HG1 PRO 21 -18.983 -3.624 -0.723
201 HD2 PRO 21 HD2 PRO 21 -19.613 -1.393 0.779
202 HD3 PRO 21 HD1 PRO 21 -18.125 -2.338 0.952
203 H SER 22 HN SER 22 -18.144 1.750 -1.306
204 HA SER 22 HA SER 22 -20.411 2.024 -3.162
205 HB2 SER 22 HB2 SER 22 -19.791 3.756 -0.760
206 HB3 SER 22 HB1 SER 22 -21.265 3.761 -1.729
207 HG SER 22 HG SER 22 -21.005 1.299 -0.948
Start of MODEL 12
1 H1 LEU 1 HT1 LEU 1 8.268 -8.152 2.757
2 H2 LEU 1 HT2 LEU 1 8.560 -6.555 3.219
3 H3 LEU 1 HT3 LEU 1 9.841 -7.544 2.738
4 HA LEU 1 HA LEU 1 8.945 -7.686 0.513
5 HB2 LEU 1 HB2 LEU 1 6.898 -5.742 1.590
6 HB3 LEU 1 HB1 LEU 1 7.142 -6.072 -0.111
7 HG LEU 1 HG LEU 1 6.626 -8.542 0.565
8 HD11 LEU 1 HD11 LEU 1 5.033 -8.719 2.411
9 HD12 LEU 1 HD12 LEU 1 5.318 -7.027 2.817
10 HD13 LEU 1 HD13 LEU 1 6.621 -8.202 2.972
11 HD21 LEU 1 HD21 LEU 1 4.508 -6.404 0.447
12 HD22 LEU 1 HD22 LEU 1 4.238 -8.126 0.186
13 HD23 LEU 1 HD23 LEU 1 5.257 -7.214 -0.927
14 H ARG 2 HN ARG 2 11.154 -6.630 1.569
15 HA ARG 2 HA ARG 2 12.777 -5.071 1.271
16 HB2 ARG 2 HB2 ARG 2 11.698 -5.378 -1.129
17 HB3 ARG 2 HB1 ARG 2 11.191 -3.718 -0.866
18 HG2 ARG 2 HG2 ARG 2 13.248 -3.813 -2.138
19 HG3 ARG 2 HG1 ARG 2 13.516 -3.045 -0.576
20 HD2 ARG 2 HD2 ARG 2 15.332 -4.566 -1.110
21 HD3 ARG 2 HD1 ARG 2 14.443 -5.132 0.297
22 HE ARG 2 HE ARG 2 13.280 -6.459 -1.770
23 HH11 ARG 2 HH11 ARG 2 16.590 -6.075 -0.696
24 HH12 ARG 2 HH12 ARG 2 17.091 -7.642 -1.249
25 HH21 ARG 2 HH21 ARG 2 13.925 -8.539 -2.481
26 HH22 ARG 2 HH22 ARG 2 15.567 -9.050 -2.250
27 H LEU 3 HN LEU 3 12.830 -2.367 0.730
28 HA LEU 3 HA LEU 3 11.347 -1.311 2.990
29 HB2 LEU 3 HB2 LEU 3 13.677 -0.721 2.881
30 HB3 LEU 3 HB1 LEU 3 13.490 -0.111 1.247
31 HG LEU 3 HG LEU 3 12.115 1.733 2.060
32 HD11 LEU 3 HD11 LEU 3 12.607 0.581 4.800
33 HD12 LEU 3 HD12 LEU 3 11.064 0.603 3.946
34 HD13 LEU 3 HD13 LEU 3 11.820 2.117 4.447
35 HD21 LEU 3 HD21 LEU 3 13.843 2.944 3.296
36 HD22 LEU 3 HD22 LEU 3 14.528 2.040 1.945
37 HD23 LEU 3 HD23 LEU 3 14.695 1.428 3.589
38 H ILE 4 HN ILE 4 12.013 -0.070 -0.252
39 HA ILE 4 HA ILE 4 9.939 1.812 -0.236
40 HB ILE 4 HB ILE 4 11.519 0.589 -2.468
41 HG12 ILE 4 HG12 ILE 4 12.711 2.034 -0.875
42 HG13 ILE 4 HG11 ILE 4 12.638 2.754 -2.479
43 HG21 ILE 4 HG21 ILE 4 10.658 2.394 -3.919
44 HG22 ILE 4 HG22 ILE 4 9.489 2.803 -2.660
45 HG23 ILE 4 HG23 ILE 4 9.423 1.225 -3.450
46 HD11 ILE 4 HD11 ILE 4 10.961 3.499 -0.096
47 HD12 ILE 4 HD12 ILE 4 10.767 4.174 -1.712
48 HD13 ILE 4 HD13 ILE 4 12.262 4.444 -0.817
49 H HIS 5 HN HIS 5 10.011 -1.540 -1.169
50 HA HIS 5 HA HIS 5 7.486 -1.480 -2.538
51 HB2 HIS 5 HB2 HIS 5 9.034 -3.854 -1.478
52 HB3 HIS 5 HB1 HIS 5 7.689 -3.919 -2.612
53 HD1 HIS 5 HD1 HIS 5 8.314 -3.896 -5.020
54 HD2 HIS 5 HD2 HIS 5 11.324 -2.385 -2.589
55 HE1 HIS 5 HE1 HIS 5 10.246 -3.406 -6.557
56 HE2 HIS 5 HE2 HIS 5 12.126 -2.717 -5.028
57 H ALA 6 HN ALA 6 8.544 -1.717 0.690
58 HA ALA 6 HA ALA 6 6.050 -2.787 1.710
59 HB1 ALA 6 HB1 ALA 6 7.086 -2.492 3.893
60 HB2 ALA 6 HB2 ALA 6 8.423 -1.605 3.157
61 HB3 ALA 6 HB3 ALA 6 8.200 -3.319 2.802
62 H VAL 7 HN VAL 7 7.823 0.194 1.408
63 HA VAL 7 HA VAL 7 6.084 1.916 2.751
64 HB VAL 7 HB VAL 7 8.042 2.345 0.505
65 HG11 VAL 7 HG11 VAL 7 7.797 4.801 1.026
66 HG12 VAL 7 HG12 VAL 7 6.298 4.392 1.863
67 HG13 VAL 7 HG13 VAL 7 6.464 4.068 0.132
68 HG21 VAL 7 HG21 VAL 7 8.051 3.069 3.425
69 HG22 VAL 7 HG22 VAL 7 9.313 3.495 2.267
70 HG23 VAL 7 HG23 VAL 7 8.998 1.802 2.646
71 H ARG 8 HN ARG 8 6.377 1.279 -0.736
72 HA ARG 8 HA ARG 8 4.032 2.757 -1.347
73 HB2 ARG 8 HB2 ARG 8 5.621 0.774 -2.968
74 HB3 ARG 8 HB1 ARG 8 4.299 1.742 -3.613
75 HG2 ARG 8 HG2 ARG 8 5.539 3.783 -2.940
76 HG3 ARG 8 HG1 ARG 8 6.896 2.755 -2.469
77 HD2 ARG 8 HD2 ARG 8 7.255 3.647 -4.698
78 HD3 ARG 8 HD1 ARG 8 7.009 1.903 -4.781
79 HE ARG 8 HE ARG 8 4.946 2.248 -5.816
80 HH11 ARG 8 HH11 ARG 8 6.472 5.290 -4.983
81 HH12 ARG 8 HH12 ARG 8 5.437 6.233 -6.005
82 HH21 ARG 8 HH21 ARG 8 3.574 3.506 -7.165
83 HH22 ARG 8 HH22 ARG 8 3.804 5.226 -7.250
84 H GLY 9 HN GLY 9 4.694 -0.622 -0.700
85 HA2 GLY 9 HA2 GLY 9 2.040 -1.507 -1.277
86 HA3 GLY 9 HA1 GLY 9 3.240 -2.381 -0.328
87 H TYR 10 HN TYR 10 3.246 0.482 1.087
88 HA TYR 10 HA TYR 10 1.222 -0.191 3.050
89 HB2 TYR 10 HB2 TYR 10 3.131 0.428 4.183
90 HB3 TYR 10 HB1 TYR 10 3.628 1.554 2.935
91 HD1 TYR 10 HD1 TYR 10 0.791 1.247 5.379
92 HD2 TYR 10 HD2 TYR 10 3.709 3.716 3.530
93 HE1 TYR 10 HE1 TYR 10 0.057 3.138 6.768
94 HE2 TYR 10 HE2 TYR 10 2.989 5.620 4.907
95 HH TYR 10 HH TYR 10 1.013 6.350 6.150
96 H TRP 11 HN TRP 11 2.161 2.784 1.238
97 HA TRP 11 HA TRP 11 -0.369 3.919 1.999
98 HB2 TRP 11 HB2 TRP 11 0.377 5.978 0.934
99 HB3 TRP 11 HB1 TRP 11 1.559 5.360 2.073
100 HD1 TRP 11 HD1 TRP 11 3.847 4.318 0.966
101 HE1 TRP 11 HE1 TRP 11 5.049 4.970 -1.221
102 HE3 TRP 11 HE3 TRP 11 -0.000 6.697 -1.379
103 HZ2 TRP 11 HZ2 TRP 11 4.437 6.322 -3.621
104 HZ3 TRP 11 HZ3 TRP 11 0.384 7.659 -3.614
105 HH2 TRP 11 HH2 TRP 11 2.558 7.471 -4.712
106 H LEU 12 HN LEU 12 0.833 2.391 -0.908
107 HA LEU 12 HA LEU 12 -1.202 3.556 -2.594
108 HB2 LEU 12 HB2 LEU 12 0.603 1.170 -3.006
109 HB3 LEU 12 HB1 LEU 12 -0.518 1.774 -4.211
110 HG LEU 12 HG LEU 12 1.801 3.337 -3.077
111 HD11 LEU 12 HD11 LEU 12 1.470 2.003 -5.764
112 HD12 LEU 12 HD12 LEU 12 2.500 1.421 -4.458
113 HD13 LEU 12 HD13 LEU 12 2.851 2.965 -5.236
114 HD21 LEU 12 HD21 LEU 12 1.299 4.870 -4.933
115 HD22 LEU 12 HD22 LEU 12 -0.022 4.755 -3.770
116 HD23 LEU 12 HD23 LEU 12 -0.131 3.911 -5.316
117 H THR 13 HN THR 13 -0.635 0.675 -0.786
118 HA THR 13 HA THR 13 -2.987 -0.707 -1.515
119 HB THR 13 HB THR 13 -0.860 -0.984 0.593
120 HG1 THR 13 HG1 THR 13 -0.753 -3.051 -0.845
121 HG21 THR 13 HG21 THR 13 -2.906 -1.864 1.525
122 HG22 THR 13 HG22 THR 13 -1.756 -3.148 1.168
123 HG23 THR 13 HG23 THR 13 -3.135 -2.876 0.103
124 H ASN 14 HN ASN 14 -2.390 1.959 0.458
125 HA ASN 14 HA ASN 14 -4.719 1.443 2.155
126 HB2 ASN 14 HB2 ASN 14 -2.355 3.202 2.357
127 HB3 ASN 14 HB1 ASN 14 -3.858 3.822 3.015
128 HD21 ASN 14 HD21 ASN 14 -1.416 3.071 4.387
129 HD22 ASN 14 HD22 ASN 14 -1.853 1.842 5.521
130 H LYS 15 HN LYS 15 -3.425 4.001 0.021
131 HA LYS 15 HA LYS 15 -5.660 5.683 0.187
132 HB2 LYS 15 HB2 LYS 15 -4.770 6.782 -1.828
133 HB3 LYS 15 HB1 LYS 15 -3.540 6.511 -0.610
134 HG2 LYS 15 HG2 LYS 15 -2.433 5.939 -2.531
135 HG3 LYS 15 HG1 LYS 15 -3.022 4.370 -1.983
136 HD2 LYS 15 HD2 LYS 15 -4.961 4.621 -3.500
137 HD3 LYS 15 HD1 LYS 15 -4.255 6.123 -4.103
138 HE2 LYS 15 HE2 LYS 15 -2.246 4.859 -4.793
139 HE3 LYS 15 HE1 LYS 15 -3.030 3.371 -4.268
140 HZ1 LYS 15 HZ1 LYS 15 -4.780 3.794 -5.899
141 HZ2 LYS 15 HZ2 LYS 15 -3.265 3.658 -6.631
142 HZ3 LYS 15 HZ3 LYS 15 -3.967 5.180 -6.424
143 H VAL 16 HN VAL 16 -5.094 2.866 -1.670
144 HA VAL 16 HA VAL 16 -7.101 3.125 -3.602
145 HB VAL 16 HB VAL 16 -5.438 1.409 -3.841
146 HG11 VAL 16 HG11 VAL 16 -5.218 -0.469 -2.346
147 HG12 VAL 16 HG12 VAL 16 -6.575 0.098 -1.375
148 HG13 VAL 16 HG13 VAL 16 -5.072 1.026 -1.413
149 HG21 VAL 16 HG21 VAL 16 -7.605 0.934 -4.839
150 HG22 VAL 16 HG22 VAL 16 -8.147 0.178 -3.342
151 HG23 VAL 16 HG23 VAL 16 -6.844 -0.555 -4.278
152 HA PRO 17 HA PRO 17 -10.596 2.707 -0.796
153 HB2 PRO 17 HB2 PRO 17 -12.476 3.219 -2.697
154 HB3 PRO 17 HB1 PRO 17 -11.580 4.492 -1.860
155 HG2 PRO 17 HG2 PRO 17 -11.142 3.338 -4.580
156 HG3 PRO 17 HG1 PRO 17 -11.025 5.024 -4.043
157 HD2 PRO 17 HD2 PRO 17 -8.848 3.424 -4.417
158 HD3 PRO 17 HD1 PRO 17 -8.889 4.747 -3.242
159 H ILE 18 HN ILE 18 -11.077 0.697 -0.286
160 HA ILE 18 HA ILE 18 -11.435 -1.308 -2.377
161 HB ILE 18 HB ILE 18 -11.464 -2.939 -0.466
162 HG12 ILE 18 HG12 ILE 18 -10.628 -0.517 1.148
163 HG13 ILE 18 HG11 ILE 18 -12.185 -1.327 1.278
164 HG21 ILE 18 HG21 ILE 18 -9.049 -2.810 -0.065
165 HG22 ILE 18 HG22 ILE 18 -9.035 -1.170 -0.713
166 HG23 ILE 18 HG23 ILE 18 -9.448 -2.529 -1.760
167 HD11 ILE 18 HD11 ILE 18 -10.713 -1.983 3.080
168 HD12 ILE 18 HD12 ILE 18 -9.500 -2.523 1.919
169 HD13 ILE 18 HD13 ILE 18 -11.050 -3.358 2.031
170 H LYS 19 HN LYS 19 -13.367 0.670 -2.065
171 HA LYS 19 HA LYS 19 -15.665 -0.818 -0.988
172 HB2 LYS 19 HB2 LYS 19 -15.487 2.137 -1.605
173 HB3 LYS 19 HB1 LYS 19 -16.806 1.307 -0.793
174 HG2 LYS 19 HG2 LYS 19 -15.267 0.738 1.052
175 HG3 LYS 19 HG1 LYS 19 -14.004 1.666 0.246
176 HD2 LYS 19 HD2 LYS 19 -14.965 3.058 1.931
177 HD3 LYS 19 HD1 LYS 19 -15.514 3.660 0.368
178 HE2 LYS 19 HE2 LYS 19 -17.351 3.631 1.954
179 HE3 LYS 19 HE1 LYS 19 -17.638 2.465 0.666
180 HZ1 LYS 19 HZ1 LYS 19 -18.195 1.461 2.733
181 HZ2 LYS 19 HZ2 LYS 19 -16.715 1.887 3.425
182 HZ3 LYS 19 HZ3 LYS 19 -16.768 0.733 2.193
183 H ARG 20 HN ARG 20 -14.142 0.294 -3.787
184 HA ARG 20 HA ARG 20 -16.570 0.196 -5.403
185 HB2 ARG 20 HB2 ARG 20 -15.051 1.017 -7.230
186 HB3 ARG 20 HB1 ARG 20 -15.236 2.111 -5.869
187 HG2 ARG 20 HG2 ARG 20 -13.075 1.315 -4.977
188 HG3 ARG 20 HG1 ARG 20 -12.888 0.305 -6.413
189 HD2 ARG 20 HD2 ARG 20 -11.654 2.406 -6.624
190 HD3 ARG 20 HD1 ARG 20 -12.938 2.285 -7.827
191 HE ARG 20 HE ARG 20 -13.993 3.628 -5.636
192 HH11 ARG 20 HH11 ARG 20 -11.444 4.127 -7.975
193 HH12 ARG 20 HH12 ARG 20 -11.608 5.855 -7.970
194 HH21 ARG 20 HH21 ARG 20 -14.223 5.891 -5.633
195 HH22 ARG 20 HH22 ARG 20 -13.193 6.859 -6.636
196 HA PRO 21 HA PRO 21 -15.167 -3.935 -6.557
197 HB2 PRO 21 HB2 PRO 21 -17.690 -4.578 -7.612
198 HB3 PRO 21 HB1 PRO 21 -17.103 -4.963 -5.998
199 HG2 PRO 21 HG2 PRO 21 -19.181 -3.174 -6.682
200 HG3 PRO 21 HG1 PRO 21 -18.471 -3.428 -5.083
201 HD2 PRO 21 HD2 PRO 21 -18.006 -1.260 -7.029
202 HD3 PRO 21 HD1 PRO 21 -17.802 -1.270 -5.267
203 H SER 22 HN SER 22 -14.428 -1.856 -8.198
204 HA SER 22 HA SER 22 -13.951 -1.238 -10.321
205 HB2 SER 22 HB2 SER 22 -14.710 -4.098 -10.962
206 HB3 SER 22 HB1 SER 22 -13.785 -3.019 -12.006
207 HG SER 22 HG SER 22 -12.218 -4.061 -10.973
Start of MODEL 13
1 H1 LEU 1 HT1 LEU 1 9.124 -8.071 4.226
2 H2 LEU 1 HT2 LEU 1 9.108 -6.906 3.009
3 H3 LEU 1 HT3 LEU 1 10.038 -6.661 4.397
4 HA LEU 1 HA LEU 1 11.425 -8.524 3.843
5 HB2 LEU 1 HB2 LEU 1 11.204 -9.427 1.480
6 HB3 LEU 1 HB1 LEU 1 10.031 -9.971 2.659
7 HG LEU 1 HG LEU 1 8.501 -8.131 1.686
8 HD11 LEU 1 HD11 LEU 1 8.913 -7.594 -0.657
9 HD12 LEU 1 HD12 LEU 1 10.472 -8.413 -0.574
10 HD13 LEU 1 HD13 LEU 1 10.187 -6.960 0.385
11 HD21 LEU 1 HD21 LEU 1 7.731 -9.652 -0.075
12 HD22 LEU 1 HD22 LEU 1 8.092 -10.506 1.424
13 HD23 LEU 1 HD23 LEU 1 9.226 -10.573 0.076
14 H ARG 2 HN ARG 2 10.342 -5.617 2.401
15 HA ARG 2 HA ARG 2 13.103 -4.883 1.907
16 HB2 ARG 2 HB2 ARG 2 11.944 -5.845 -0.271
17 HB3 ARG 2 HB1 ARG 2 11.173 -4.263 -0.293
18 HG2 ARG 2 HG2 ARG 2 13.111 -4.239 -1.718
19 HG3 ARG 2 HG1 ARG 2 13.390 -3.204 -0.317
20 HD2 ARG 2 HD2 ARG 2 14.631 -5.078 0.750
21 HD3 ARG 2 HD1 ARG 2 14.447 -5.996 -0.743
22 HE ARG 2 HE ARG 2 15.600 -3.698 -1.579
23 HH11 ARG 2 HH11 ARG 2 16.431 -6.017 0.917
24 HH12 ARG 2 HH12 ARG 2 18.129 -5.675 0.837
25 HH21 ARG 2 HH21 ARG 2 17.834 -3.261 -1.684
26 HH22 ARG 2 HH22 ARG 2 18.929 -4.115 -0.642
27 H LEU 3 HN LEU 3 13.138 -2.413 1.305
28 HA LEU 3 HA LEU 3 11.394 -1.197 3.245
29 HB2 LEU 3 HB2 LEU 3 13.712 -0.542 3.253
30 HB3 LEU 3 HB1 LEU 3 13.615 -0.044 1.575
31 HG LEU 3 HG LEU 3 12.123 1.788 2.172
32 HD11 LEU 3 HD11 LEU 3 12.450 0.814 5.005
33 HD12 LEU 3 HD12 LEU 3 10.972 0.739 4.040
34 HD13 LEU 3 HD13 LEU 3 11.645 2.302 4.509
35 HD21 LEU 3 HD21 LEU 3 13.707 3.151 3.419
36 HD22 LEU 3 HD22 LEU 3 14.539 2.163 2.218
37 HD23 LEU 3 HD23 LEU 3 14.577 1.701 3.919
38 H ILE 4 HN ILE 4 12.248 -0.171 -0.035
39 HA ILE 4 HA ILE 4 10.208 1.722 -0.222
40 HB ILE 4 HB ILE 4 11.829 0.350 -2.336
41 HG12 ILE 4 HG12 ILE 4 13.025 1.786 -0.738
42 HG13 ILE 4 HG11 ILE 4 13.050 2.463 -2.363
43 HG21 ILE 4 HG21 ILE 4 9.777 1.065 -3.392
44 HG22 ILE 4 HG22 ILE 4 11.102 2.122 -3.880
45 HG23 ILE 4 HG23 ILE 4 9.937 2.668 -2.673
46 HD11 ILE 4 HD11 ILE 4 11.221 3.988 -1.709
47 HD12 ILE 4 HD12 ILE 4 12.689 4.210 -0.761
48 HD13 ILE 4 HD13 ILE 4 11.319 3.347 -0.068
49 H HIS 5 HN HIS 5 10.210 -1.678 -1.012
50 HA HIS 5 HA HIS 5 7.759 -1.559 -2.511
51 HB2 HIS 5 HB2 HIS 5 9.194 -3.968 -1.370
52 HB3 HIS 5 HB1 HIS 5 7.884 -4.010 -2.547
53 HD1 HIS 5 HD1 HIS 5 8.586 -3.992 -4.946
54 HD2 HIS 5 HD2 HIS 5 11.551 -2.575 -2.407
55 HE1 HIS 5 HE1 HIS 5 10.586 -3.574 -6.411
56 HE2 HIS 5 HE2 HIS 5 12.323 -2.592 -4.879
57 H ALA 6 HN ALA 6 8.651 -1.766 0.762
58 HA ALA 6 HA ALA 6 6.097 -2.784 1.676
59 HB1 ALA 6 HB1 ALA 6 8.204 -3.288 2.885
60 HB2 ALA 6 HB2 ALA 6 7.014 -2.471 3.901
61 HB3 ALA 6 HB3 ALA 6 8.380 -1.567 3.238
62 H VAL 7 HN VAL 7 7.915 0.167 1.396
63 HA VAL 7 HA VAL 7 6.164 1.955 2.619
64 HB VAL 7 HB VAL 7 8.195 2.280 0.423
65 HG11 VAL 7 HG11 VAL 7 6.464 4.414 1.657
66 HG12 VAL 7 HG12 VAL 7 6.653 4.018 -0.058
67 HG13 VAL 7 HG13 VAL 7 7.987 4.755 0.834
68 HG21 VAL 7 HG21 VAL 7 8.121 3.052 3.328
69 HG22 VAL 7 HG22 VAL 7 9.415 3.488 2.209
70 HG23 VAL 7 HG23 VAL 7 9.102 1.791 2.581
71 H ARG 8 HN ARG 8 6.577 1.325 -0.852
72 HA ARG 8 HA ARG 8 4.360 2.880 -1.605
73 HB2 ARG 8 HB2 ARG 8 5.819 0.681 -3.061
74 HB3 ARG 8 HB1 ARG 8 4.621 1.739 -3.807
75 HG2 ARG 8 HG2 ARG 8 6.016 3.681 -3.259
76 HG3 ARG 8 HG1 ARG 8 7.219 2.605 -2.549
77 HD2 ARG 8 HD2 ARG 8 7.883 3.214 -4.795
78 HD3 ARG 8 HD1 ARG 8 7.491 1.500 -4.729
79 HE ARG 8 HE ARG 8 5.192 2.851 -5.527
80 HH11 ARG 8 HH11 ARG 8 8.429 2.284 -6.718
81 HH12 ARG 8 HH12 ARG 8 7.966 2.351 -8.387
82 HH21 ARG 8 HH21 ARG 8 4.580 2.974 -7.738
83 HH22 ARG 8 HH22 ARG 8 5.785 2.762 -8.968
84 H GLY 9 HN GLY 9 4.720 -0.565 -0.967
85 HA2 GLY 9 HA2 GLY 9 2.044 -1.250 -1.654
86 HA3 GLY 9 HA1 GLY 9 3.145 -2.221 -0.685
87 H TYR 10 HN TYR 10 3.327 0.471 0.939
88 HA TYR 10 HA TYR 10 1.336 -0.282 2.878
89 HB2 TYR 10 HB2 TYR 10 3.223 0.358 4.012
90 HB3 TYR 10 HB1 TYR 10 3.709 1.491 2.768
91 HD1 TYR 10 HD1 TYR 10 3.702 3.692 3.270
92 HD2 TYR 10 HD2 TYR 10 1.031 1.144 5.378
93 HE1 TYR 10 HE1 TYR 10 3.013 5.589 4.669
94 HE2 TYR 10 HE2 TYR 10 0.329 3.038 6.784
95 HH TYR 10 HH TYR 10 1.162 5.188 7.513
96 H TRP 11 HN TRP 11 2.077 2.750 1.086
97 HA TRP 11 HA TRP 11 -0.439 3.805 2.002
98 HB2 TRP 11 HB2 TRP 11 0.155 5.859 0.759
99 HB3 TRP 11 HB1 TRP 11 1.361 5.365 1.933
100 HD1 TRP 11 HD1 TRP 11 3.637 4.200 0.848
101 HE1 TRP 11 HE1 TRP 11 4.847 4.789 -1.348
102 HE3 TRP 11 HE3 TRP 11 -0.165 6.638 -1.545
103 HZ2 TRP 11 HZ2 TRP 11 4.264 6.100 -3.766
104 HZ3 TRP 11 HZ3 TRP 11 0.245 7.536 -3.798
105 HH2 TRP 11 HH2 TRP 11 2.416 7.273 -4.884
106 H LEU 12 HN LEU 12 0.770 2.539 -1.068
107 HA LEU 12 HA LEU 12 -1.384 3.421 -2.655
108 HB2 LEU 12 HB2 LEU 12 0.393 1.005 -2.952
109 HB3 LEU 12 HB1 LEU 12 -0.754 1.531 -4.168
110 HG LEU 12 HG LEU 12 1.547 3.201 -3.169
111 HD11 LEU 12 HD11 LEU 12 2.368 1.243 -4.363
112 HD12 LEU 12 HD12 LEU 12 2.596 2.701 -5.328
113 HD13 LEU 12 HD13 LEU 12 1.281 1.590 -5.706
114 HD21 LEU 12 HD21 LEU 12 -0.355 3.557 -5.483
115 HD22 LEU 12 HD22 LEU 12 1.039 4.579 -5.137
116 HD23 LEU 12 HD23 LEU 12 -0.310 4.518 -4.006
117 H THR 13 HN THR 13 -1.064 0.742 -0.468
118 HA THR 13 HA THR 13 -3.504 -0.532 -1.388
119 HB THR 13 HB THR 13 -1.314 -1.602 -0.319
120 HG1 THR 13 HG1 THR 13 -2.673 -3.138 -0.905
121 HG21 THR 13 HG21 THR 13 -3.111 -1.148 2.056
122 HG22 THR 13 HG22 THR 13 -1.468 -0.541 1.840
123 HG23 THR 13 HG23 THR 13 -1.752 -2.272 2.022
124 H ASN 14 HN ASN 14 -2.723 2.006 0.613
125 HA ASN 14 HA ASN 14 -4.968 1.539 2.432
126 HB2 ASN 14 HB2 ASN 14 -2.391 2.898 2.652
127 HB3 ASN 14 HB1 ASN 14 -3.740 3.765 3.387
128 HD21 ASN 14 HD21 ASN 14 -1.664 1.032 3.549
129 HD22 ASN 14 HD22 ASN 14 -2.234 0.409 5.062
130 H LYS 15 HN LYS 15 -3.673 4.012 0.230
131 HA LYS 15 HA LYS 15 -5.591 6.007 0.711
132 HB2 LYS 15 HB2 LYS 15 -4.256 5.444 -1.940
133 HB3 LYS 15 HB1 LYS 15 -4.919 6.977 -1.396
134 HG2 LYS 15 HG2 LYS 15 -2.566 5.556 -0.187
135 HG3 LYS 15 HG1 LYS 15 -2.480 6.935 -1.290
136 HD2 LYS 15 HD2 LYS 15 -3.737 8.289 0.348
137 HD3 LYS 15 HD1 LYS 15 -3.742 6.915 1.455
138 HE2 LYS 15 HE2 LYS 15 -1.285 6.954 1.484
139 HE3 LYS 15 HE1 LYS 15 -1.304 8.354 0.413
140 HZ1 LYS 15 HZ1 LYS 15 -1.014 8.971 2.744
141 HZ2 LYS 15 HZ2 LYS 15 -2.502 8.265 3.130
142 HZ3 LYS 15 HZ3 LYS 15 -2.442 9.611 2.112
143 H VAL 16 HN VAL 16 -5.561 3.290 -1.439
144 HA VAL 16 HA VAL 16 -7.866 3.696 -2.903
145 HB VAL 16 HB VAL 16 -6.458 1.942 -3.573
146 HG11 VAL 16 HG11 VAL 16 -5.773 0.095 -2.153
147 HG12 VAL 16 HG12 VAL 16 -6.766 0.714 -0.833
148 HG13 VAL 16 HG13 VAL 16 -5.362 1.634 -1.382
149 HG21 VAL 16 HG21 VAL 16 -8.800 1.374 -3.889
150 HG22 VAL 16 HG22 VAL 16 -8.869 0.665 -2.275
151 HG23 VAL 16 HG23 VAL 16 -7.866 -0.078 -3.524
152 HA PRO 17 HA PRO 17 -10.855 3.436 0.467
153 HB2 PRO 17 HB2 PRO 17 -12.999 4.034 -1.114
154 HB3 PRO 17 HB1 PRO 17 -11.924 5.257 -0.425
155 HG2 PRO 17 HG2 PRO 17 -11.959 4.096 -3.178
156 HG3 PRO 17 HG1 PRO 17 -11.704 5.775 -2.670
157 HD2 PRO 17 HD2 PRO 17 -9.664 4.146 -3.375
158 HD3 PRO 17 HD1 PRO 17 -9.487 5.416 -2.152
159 H ILE 18 HN ILE 18 -11.404 1.493 1.102
160 HA ILE 18 HA ILE 18 -12.110 -0.561 -0.823
161 HB ILE 18 HB ILE 18 -12.136 -2.081 1.163
162 HG12 ILE 18 HG12 ILE 18 -11.112 0.369 2.620
163 HG13 ILE 18 HG11 ILE 18 -12.690 -0.371 2.865
164 HG21 ILE 18 HG21 ILE 18 -9.702 -2.068 1.468
165 HG22 ILE 18 HG22 ILE 18 -9.626 -0.465 0.736
166 HG23 ILE 18 HG23 ILE 18 -10.155 -1.848 -0.222
167 HD11 ILE 18 HD11 ILE 18 -11.598 -2.410 3.657
168 HD12 ILE 18 HD12 ILE 18 -11.150 -1.002 4.621
169 HD13 ILE 18 HD13 ILE 18 -10.025 -1.648 3.427
170 H LYS 19 HN LYS 19 -13.965 1.396 -0.820
171 HA LYS 19 HA LYS 19 -16.202 0.417 0.813
172 HB2 LYS 19 HB2 LYS 19 -15.818 3.020 -0.661
173 HB3 LYS 19 HB1 LYS 19 -17.282 2.565 0.192
174 HG2 LYS 19 HG2 LYS 19 -15.959 2.396 2.279
175 HG3 LYS 19 HG1 LYS 19 -14.556 2.987 1.390
176 HD2 LYS 19 HD2 LYS 19 -15.607 4.808 2.597
177 HD3 LYS 19 HD1 LYS 19 -15.787 5.048 0.858
178 HE2 LYS 19 HE2 LYS 19 -17.851 5.557 2.099
179 HE3 LYS 19 HE1 LYS 19 -18.068 4.243 0.945
180 HZ1 LYS 19 HZ1 LYS 19 -19.107 3.826 3.122
181 HZ2 LYS 19 HZ2 LYS 19 -17.581 3.863 3.850
182 HZ3 LYS 19 HZ3 LYS 19 -17.951 2.657 2.722
183 H ARG 20 HN ARG 20 -14.934 -0.062 -2.109
184 HA ARG 20 HA ARG 20 -17.408 -0.094 -3.633
185 HB2 ARG 20 HB2 ARG 20 -14.648 -1.003 -4.459
186 HB3 ARG 20 HB1 ARG 20 -16.002 -0.670 -5.511
187 HG2 ARG 20 HG2 ARG 20 -14.504 1.349 -3.868
188 HG3 ARG 20 HG1 ARG 20 -14.393 1.127 -5.614
189 HD2 ARG 20 HD2 ARG 20 -16.775 1.706 -5.817
190 HD3 ARG 20 HD1 ARG 20 -16.848 1.969 -4.076
191 HE ARG 20 HE ARG 20 -14.815 3.531 -5.340
192 HH11 ARG 20 HH11 ARG 20 -18.238 3.402 -4.623
193 HH12 ARG 20 HH12 ARG 20 -18.449 5.121 -4.736
194 HH21 ARG 20 HH21 ARG 20 -15.091 5.785 -5.484
195 HH22 ARG 20 HH22 ARG 20 -16.662 6.476 -5.217
196 HA PRO 21 HA PRO 21 -17.944 -4.457 -3.027
197 HB2 PRO 21 HB2 PRO 21 -19.122 -5.259 -5.311
198 HB3 PRO 21 HB1 PRO 21 -19.915 -4.161 -4.180
199 HG2 PRO 21 HG2 PRO 21 -18.697 -3.596 -6.813
200 HG3 PRO 21 HG1 PRO 21 -20.009 -2.755 -5.974
201 HD2 PRO 21 HD2 PRO 21 -17.279 -1.988 -6.119
202 HD3 PRO 21 HD1 PRO 21 -18.552 -1.230 -5.150
203 H SER 22 HN SER 22 -15.301 -3.775 -3.948
204 HA SER 22 HA SER 22 -14.538 -6.329 -5.114
205 HB2 SER 22 HB2 SER 22 -12.978 -5.130 -6.700
206 HB3 SER 22 HB1 SER 22 -14.690 -4.944 -7.082
207 HG SER 22 HG SER 22 -13.199 -3.073 -5.555
Start of MODEL 14
1 H1 LEU 1 HT1 LEU 1 13.190 -8.223 3.406
2 H2 LEU 1 HT2 LEU 1 11.885 -8.662 4.384
3 H3 LEU 1 HT3 LEU 1 12.768 -7.261 4.729
4 HA LEU 1 HA LEU 1 11.194 -7.699 2.270
5 HB2 LEU 1 HB2 LEU 1 9.580 -6.118 3.168
6 HB3 LEU 1 HB1 LEU 1 9.722 -7.512 4.218
7 HG LEU 1 HG LEU 1 11.297 -5.044 4.854
8 HD11 LEU 1 HD11 LEU 1 8.379 -5.476 5.482
9 HD12 LEU 1 HD12 LEU 1 9.053 -4.210 4.454
10 HD13 LEU 1 HD13 LEU 1 9.400 -4.220 6.183
11 HD21 LEU 1 HD21 LEU 1 9.950 -7.139 6.556
12 HD22 LEU 1 HD22 LEU 1 10.975 -5.826 7.134
13 HD23 LEU 1 HD23 LEU 1 11.662 -7.106 6.136
14 H ARG 2 HN ARG 2 11.285 -6.034 0.795
15 HA ARG 2 HA ARG 2 13.541 -4.244 1.098
16 HB2 ARG 2 HB2 ARG 2 12.833 -5.505 -1.035
17 HB3 ARG 2 HB1 ARG 2 11.622 -4.245 -1.199
18 HG2 ARG 2 HG2 ARG 2 13.629 -3.825 -2.548
19 HG3 ARG 2 HG1 ARG 2 13.335 -2.561 -1.359
20 HD2 ARG 2 HD2 ARG 2 15.707 -3.160 -1.477
21 HD3 ARG 2 HD1 ARG 2 15.028 -3.536 0.105
22 HE ARG 2 HE ARG 2 15.278 -5.634 -1.946
23 HH11 ARG 2 HH11 ARG 2 16.088 -4.377 1.225
24 HH12 ARG 2 HH12 ARG 2 16.838 -5.847 1.751
25 HH21 ARG 2 HH21 ARG 2 16.271 -7.558 -1.253
26 HH22 ARG 2 HH22 ARG 2 16.955 -7.656 0.339
27 H LEU 3 HN LEU 3 13.394 -2.285 1.814
28 HA LEU 3 HA LEU 3 11.252 -1.359 3.200
29 HB2 LEU 3 HB2 LEU 3 13.408 -0.464 3.615
30 HB3 LEU 3 HB1 LEU 3 13.542 0.136 1.973
31 HG LEU 3 HG LEU 3 11.822 1.818 2.435
32 HD11 LEU 3 HD11 LEU 3 10.533 0.597 4.088
33 HD12 LEU 3 HD12 LEU 3 11.027 2.170 4.714
34 HD13 LEU 3 HD13 LEU 3 11.869 0.710 5.234
35 HD21 LEU 3 HD21 LEU 3 14.175 2.362 2.807
36 HD22 LEU 3 HD22 LEU 3 14.041 1.803 4.474
37 HD23 LEU 3 HD23 LEU 3 13.128 3.213 3.941
38 H ILE 4 HN ILE 4 12.261 -0.025 0.094
39 HA ILE 4 HA ILE 4 10.206 1.842 -0.128
40 HB ILE 4 HB ILE 4 11.958 0.538 -2.172
41 HG12 ILE 4 HG12 ILE 4 12.980 1.998 -0.458
42 HG13 ILE 4 HG11 ILE 4 13.157 2.642 -2.088
43 HG21 ILE 4 HG21 ILE 4 9.967 2.752 -2.599
44 HG22 ILE 4 HG22 ILE 4 10.008 1.176 -3.395
45 HG23 ILE 4 HG23 ILE 4 11.272 2.363 -3.719
46 HD11 ILE 4 HD11 ILE 4 11.225 3.555 0.025
47 HD12 ILE 4 HD12 ILE 4 11.243 4.147 -1.634
48 HD13 ILE 4 HD13 ILE 4 12.632 4.425 -0.586
49 H HIS 5 HN HIS 5 10.255 -1.541 -0.929
50 HA HIS 5 HA HIS 5 7.920 -1.392 -2.634
51 HB2 HIS 5 HB2 HIS 5 9.326 -3.828 -1.507
52 HB3 HIS 5 HB1 HIS 5 8.113 -3.829 -2.785
53 HD1 HIS 5 HD1 HIS 5 9.213 -4.156 -4.995
54 HD2 HIS 5 HD2 HIS 5 11.533 -1.893 -2.402
55 HE1 HIS 5 HE1 HIS 5 11.267 -3.508 -6.296
56 HE2 HIS 5 HE2 HIS 5 12.557 -1.995 -4.773
57 H ALA 6 HN ALA 6 8.619 -1.723 0.669
58 HA ALA 6 HA ALA 6 6.010 -2.799 1.341
59 HB1 ALA 6 HB1 ALA 6 6.797 -2.712 3.639
60 HB2 ALA 6 HB2 ALA 6 8.221 -1.800 3.135
61 HB3 ALA 6 HB3 ALA 6 8.022 -3.476 2.622
62 H VAL 7 HN VAL 7 7.882 0.145 1.480
63 HA VAL 7 HA VAL 7 6.081 1.882 2.657
64 HB VAL 7 HB VAL 7 8.121 2.253 0.477
65 HG11 VAL 7 HG11 VAL 7 6.284 4.355 1.605
66 HG12 VAL 7 HG12 VAL 7 6.541 3.926 -0.094
67 HG13 VAL 7 HG13 VAL 7 7.819 4.733 0.822
68 HG21 VAL 7 HG21 VAL 7 9.283 3.522 2.232
69 HG22 VAL 7 HG22 VAL 7 8.968 1.847 2.685
70 HG23 VAL 7 HG23 VAL 7 7.967 3.141 3.345
71 H ARG 8 HN ARG 8 6.507 1.156 -0.762
72 HA ARG 8 HA ARG 8 4.322 2.674 -1.646
73 HB2 ARG 8 HB2 ARG 8 5.887 0.426 -2.876
74 HB3 ARG 8 HB1 ARG 8 4.662 1.343 -3.763
75 HG2 ARG 8 HG2 ARG 8 5.936 3.418 -3.264
76 HG3 ARG 8 HG1 ARG 8 7.188 2.426 -2.518
77 HD2 ARG 8 HD2 ARG 8 7.440 1.231 -4.693
78 HD3 ARG 8 HD1 ARG 8 6.304 2.378 -5.402
79 HE ARG 8 HE ARG 8 8.453 3.725 -4.125
80 HH11 ARG 8 HH11 ARG 8 7.599 1.980 -7.044
81 HH12 ARG 8 HH12 ARG 8 8.850 2.709 -7.998
82 HH21 ARG 8 HH21 ARG 8 10.106 4.679 -5.384
83 HH22 ARG 8 HH22 ARG 8 10.281 4.235 -7.051
84 H GLY 9 HN GLY 9 4.651 -0.744 -0.822
85 HA2 GLY 9 HA2 GLY 9 1.938 -1.383 -1.480
86 HA3 GLY 9 HA1 GLY 9 3.041 -2.382 -0.541
87 H TYR 10 HN TYR 10 3.208 0.473 0.939
88 HA TYR 10 HA TYR 10 1.222 -0.226 2.926
89 HB2 TYR 10 HB2 TYR 10 3.134 0.377 4.049
90 HB3 TYR 10 HB1 TYR 10 3.636 1.503 2.802
91 HD1 TYR 10 HD1 TYR 10 0.994 1.163 5.443
92 HD2 TYR 10 HD2 TYR 10 3.583 3.720 3.248
93 HE1 TYR 10 HE1 TYR 10 0.287 3.066 6.837
94 HE2 TYR 10 HE2 TYR 10 2.894 5.627 4.627
95 HH TYR 10 HH TYR 10 1.185 5.278 7.528
96 H TRP 11 HN TRP 11 2.083 2.729 1.057
97 HA TRP 11 HA TRP 11 -0.408 3.901 1.896
98 HB2 TRP 11 HB2 TRP 11 0.265 5.895 0.624
99 HB3 TRP 11 HB1 TRP 11 1.478 5.378 1.780
100 HD1 TRP 11 HD1 TRP 11 3.687 4.127 0.675
101 HE1 TRP 11 HE1 TRP 11 4.865 4.619 -1.559
102 HE3 TRP 11 HE3 TRP 11 -0.084 6.626 -1.697
103 HZ2 TRP 11 HZ2 TRP 11 4.279 5.895 -3.991
104 HZ3 TRP 11 HZ3 TRP 11 0.310 7.460 -3.979
105 HH2 TRP 11 HH2 TRP 11 2.447 7.103 -5.103
106 H LEU 12 HN LEU 12 0.822 2.529 -1.134
107 HA LEU 12 HA LEU 12 -1.329 3.379 -2.754
108 HB2 LEU 12 HB2 LEU 12 0.441 0.946 -2.985
109 HB3 LEU 12 HB1 LEU 12 -0.702 1.448 -4.217
110 HG LEU 12 HG LEU 12 1.611 3.129 -3.263
111 HD11 LEU 12 HD11 LEU 12 2.661 2.544 -5.397
112 HD12 LEU 12 HD12 LEU 12 1.331 1.440 -5.748
113 HD13 LEU 12 HD13 LEU 12 2.408 1.119 -4.390
114 HD21 LEU 12 HD21 LEU 12 1.117 4.431 -5.294
115 HD22 LEU 12 HD22 LEU 12 -0.214 4.445 -4.139
116 HD23 LEU 12 HD23 LEU 12 -0.303 3.423 -5.574
117 H THR 13 HN THR 13 -0.997 0.844 -0.446
118 HA THR 13 HA THR 13 -3.428 -0.486 -1.308
119 HB THR 13 HB THR 13 -1.080 -1.354 -0.108
120 HG1 THR 13 HG1 THR 13 -3.296 -3.035 0.060
121 HG21 THR 13 HG21 THR 13 -1.836 -2.481 1.964
122 HG22 THR 13 HG22 THR 13 -3.329 -1.546 1.895
123 HG23 THR 13 HG23 THR 13 -1.783 -0.725 2.110
124 H ASN 14 HN ASN 14 -2.629 2.092 0.670
125 HA ASN 14 HA ASN 14 -4.847 1.609 2.521
126 HB2 ASN 14 HB2 ASN 14 -2.321 3.065 2.695
127 HB3 ASN 14 HB1 ASN 14 -3.701 3.890 3.405
128 HD21 ASN 14 HD21 ASN 14 -1.568 1.180 3.612
129 HD22 ASN 14 HD22 ASN 14 -2.096 0.615 5.162
130 H LYS 15 HN LYS 15 -3.640 4.076 0.258
131 HA LYS 15 HA LYS 15 -5.550 6.061 0.699
132 HB2 LYS 15 HB2 LYS 15 -4.402 5.297 -1.994
133 HB3 LYS 15 HB1 LYS 15 -5.067 6.860 -1.542
134 HG2 LYS 15 HG2 LYS 15 -2.595 5.606 -0.377
135 HG3 LYS 15 HG1 LYS 15 -2.627 6.877 -1.604
136 HD2 LYS 15 HD2 LYS 15 -3.768 8.367 -0.029
137 HD3 LYS 15 HD1 LYS 15 -3.738 7.096 1.193
138 HE2 LYS 15 HE2 LYS 15 -1.308 7.114 1.181
139 HE3 LYS 15 HE1 LYS 15 -1.309 8.344 -0.081
140 HZ1 LYS 15 HZ1 LYS 15 -2.423 9.850 1.454
141 HZ2 LYS 15 HZ2 LYS 15 -0.944 9.326 2.080
142 HZ3 LYS 15 HZ3 LYS 15 -2.386 8.669 2.667
143 H VAL 16 HN VAL 16 -5.622 3.261 -1.339
144 HA VAL 16 HA VAL 16 -8.227 3.502 -2.348
145 HB VAL 16 HB VAL 16 -6.718 2.031 -3.447
146 HG11 VAL 16 HG11 VAL 16 -6.430 0.529 -0.842
147 HG12 VAL 16 HG12 VAL 16 -5.245 1.665 -1.487
148 HG13 VAL 16 HG13 VAL 16 -5.605 0.167 -2.360
149 HG21 VAL 16 HG21 VAL 16 -7.890 -0.132 -3.404
150 HG22 VAL 16 HG22 VAL 16 -9.019 1.224 -3.433
151 HG23 VAL 16 HG23 VAL 16 -8.721 0.355 -1.927
152 HA PRO 17 HA PRO 17 -10.285 2.415 1.529
153 HB2 PRO 17 HB2 PRO 17 -12.806 2.641 0.468
154 HB3 PRO 17 HB1 PRO 17 -11.894 3.996 1.139
155 HG2 PRO 17 HG2 PRO 17 -12.306 3.209 -1.705
156 HG3 PRO 17 HG1 PRO 17 -12.205 4.827 -0.990
157 HD2 PRO 17 HD2 PRO 17 -10.151 3.662 -2.351
158 HD3 PRO 17 HD1 PRO 17 -9.906 4.842 -1.054
159 H ILE 18 HN ILE 18 -10.319 0.333 2.020
160 HA ILE 18 HA ILE 18 -10.669 -1.615 -0.085
161 HB ILE 18 HB ILE 18 -10.059 -3.295 1.660
162 HG12 ILE 18 HG12 ILE 18 -9.600 -0.835 3.366
163 HG13 ILE 18 HG11 ILE 18 -10.859 -2.038 3.628
164 HG21 ILE 18 HG21 ILE 18 -7.702 -2.591 1.791
165 HG22 ILE 18 HG22 ILE 18 -8.173 -0.982 1.241
166 HG23 ILE 18 HG23 ILE 18 -8.387 -2.373 0.181
167 HD11 ILE 18 HD11 ILE 18 -8.970 -2.351 5.135
168 HD12 ILE 18 HD12 ILE 18 -7.896 -2.549 3.751
169 HD13 ILE 18 HD13 ILE 18 -9.170 -3.730 4.054
170 H LYS 19 HN LYS 19 -12.937 -0.154 0.632
171 HA LYS 19 HA LYS 19 -14.689 -2.315 1.582
172 HB2 LYS 19 HB2 LYS 19 -15.169 0.666 1.444
173 HB3 LYS 19 HB1 LYS 19 -16.396 -0.513 1.882
174 HG2 LYS 19 HG2 LYS 19 -14.978 -1.212 3.790
175 HG3 LYS 19 HG1 LYS 19 -13.850 0.077 3.375
176 HD2 LYS 19 HD2 LYS 19 -16.753 0.474 4.095
177 HD3 LYS 19 HD1 LYS 19 -15.395 0.704 5.195
178 HE2 LYS 19 HE2 LYS 19 -14.509 2.451 3.710
179 HE3 LYS 19 HE1 LYS 19 -15.896 2.232 2.644
180 HZ1 LYS 19 HZ1 LYS 19 -16.225 4.103 4.111
181 HZ2 LYS 19 HZ2 LYS 19 -16.000 3.126 5.471
182 HZ3 LYS 19 HZ3 LYS 19 -17.344 2.886 4.474
183 H ARG 20 HN ARG 20 -13.551 -0.711 -1.094
184 HA ARG 20 HA ARG 20 -15.939 -1.173 -2.719
185 HB2 ARG 20 HB2 ARG 20 -13.316 0.061 -3.566
186 HB3 ARG 20 HB1 ARG 20 -14.839 0.112 -4.428
187 HG2 ARG 20 HG2 ARG 20 -15.800 1.489 -2.665
188 HG3 ARG 20 HG1 ARG 20 -14.255 1.435 -1.822
189 HD2 ARG 20 HD2 ARG 20 -13.162 2.554 -3.667
190 HD3 ARG 20 HD1 ARG 20 -14.665 2.538 -4.588
191 HE ARG 20 HE ARG 20 -14.991 3.844 -2.083
192 HH11 ARG 20 HH11 ARG 20 -13.707 4.290 -5.308
193 HH12 ARG 20 HH12 ARG 20 -13.918 6.010 -5.294
194 HH21 ARG 20 HH21 ARG 20 -15.266 6.110 -2.051
195 HH22 ARG 20 HH22 ARG 20 -14.793 7.051 -3.429
196 HA PRO 21 HA PRO 21 -13.946 -4.805 -4.515
197 HB2 PRO 21 HB2 PRO 21 -15.672 -4.467 -6.843
198 HB3 PRO 21 HB1 PRO 21 -15.673 -5.758 -5.639
199 HG2 PRO 21 HG2 PRO 21 -17.667 -3.934 -5.834
200 HG3 PRO 21 HG1 PRO 21 -17.200 -4.687 -4.300
201 HD2 PRO 21 HD2 PRO 21 -16.511 -1.977 -5.373
202 HD3 PRO 21 HD1 PRO 21 -16.964 -2.461 -3.723
203 H SER 22 HN SER 22 -12.471 -2.549 -4.761
204 HA SER 22 HA SER 22 -11.952 -2.004 -7.562
205 HB2 SER 22 HB2 SER 22 -11.816 -0.260 -5.716
206 HB3 SER 22 HB1 SER 22 -10.364 -1.082 -5.154
207 HG SER 22 HG SER 22 -10.081 -0.675 -7.753
Start of MODEL 15
1 H1 LEU 1 HT1 LEU 1 8.767 -7.807 2.568
2 H2 LEU 1 HT2 LEU 1 9.294 -6.580 1.535
3 H3 LEU 1 HT3 LEU 1 9.244 -6.319 3.205
4 HA LEU 1 HA LEU 1 10.935 -7.976 3.564
5 HB2 LEU 1 HB2 LEU 1 11.113 -8.071 0.548
6 HB3 LEU 1 HB1 LEU 1 12.157 -8.914 1.671
7 HG LEU 1 HG LEU 1 9.899 -10.021 2.461
8 HD11 LEU 1 HD11 LEU 1 8.346 -10.363 0.607
9 HD12 LEU 1 HD12 LEU 1 9.277 -9.242 -0.384
10 HD13 LEU 1 HD13 LEU 1 8.444 -8.660 1.057
11 HD21 LEU 1 HD21 LEU 1 11.814 -11.207 1.534
12 HD22 LEU 1 HD22 LEU 1 11.305 -10.774 -0.097
13 HD23 LEU 1 HD23 LEU 1 10.303 -11.842 0.886
14 H ARG 2 HN ARG 2 10.865 -5.655 0.874
15 HA ARG 2 HA ARG 2 13.358 -4.475 1.897
16 HB2 ARG 2 HB2 ARG 2 12.872 -5.264 -0.614
17 HB3 ARG 2 HB1 ARG 2 12.179 -3.648 -0.695
18 HG2 ARG 2 HG2 ARG 2 14.477 -3.653 -1.473
19 HG3 ARG 2 HG1 ARG 2 14.299 -2.683 -0.011
20 HD2 ARG 2 HD2 ARG 2 16.328 -4.173 -0.068
21 HD3 ARG 2 HD1 ARG 2 15.290 -4.357 1.342
22 HE ARG 2 HE ARG 2 14.952 -6.199 -0.914
23 HH11 ARG 2 HH11 ARG 2 16.023 -5.634 2.372
24 HH12 ARG 2 HH12 ARG 2 16.040 -7.317 2.792
25 HH21 ARG 2 HH21 ARG 2 14.967 -8.418 -0.363
26 HH22 ARG 2 HH22 ARG 2 15.451 -8.906 1.232
27 H LEU 3 HN LEU 3 13.453 -2.031 1.729
28 HA LEU 3 HA LEU 3 11.373 -1.048 3.326
29 HB2 LEU 3 HB2 LEU 3 13.579 -0.162 3.572
30 HB3 LEU 3 HB1 LEU 3 13.606 0.366 1.899
31 HG LEU 3 HG LEU 3 11.953 2.071 2.356
32 HD11 LEU 3 HD11 LEU 3 10.644 0.881 4.030
33 HD12 LEU 3 HD12 LEU 3 11.125 2.475 4.612
34 HD13 LEU 3 HD13 LEU 3 11.967 1.037 5.185
35 HD21 LEU 3 HD21 LEU 3 14.172 2.072 4.398
36 HD22 LEU 3 HD22 LEU 3 13.250 3.481 3.880
37 HD23 LEU 3 HD23 LEU 3 14.288 2.637 2.733
38 H ILE 4 HN ILE 4 12.286 0.048 0.073
39 HA ILE 4 HA ILE 4 10.135 1.849 -0.149
40 HB ILE 4 HB ILE 4 11.914 0.622 -2.223
41 HG12 ILE 4 HG12 ILE 4 12.930 2.136 -0.554
42 HG13 ILE 4 HG11 ILE 4 13.008 2.783 -2.189
43 HG21 ILE 4 HG21 ILE 4 11.109 2.417 -3.743
44 HG22 ILE 4 HG22 ILE 4 9.813 2.739 -2.593
45 HG23 ILE 4 HG23 ILE 4 9.915 1.169 -3.394
46 HD11 ILE 4 HD11 ILE 4 12.450 4.539 -0.664
47 HD12 ILE 4 HD12 ILE 4 11.107 3.603 -0.012
48 HD13 ILE 4 HD13 ILE 4 11.045 4.193 -1.672
49 H HIS 5 HN HIS 5 10.428 -1.521 -0.905
50 HA HIS 5 HA HIS 5 8.093 -1.623 -2.580
51 HB2 HIS 5 HB2 HIS 5 9.596 -3.904 -1.273
52 HB3 HIS 5 HB1 HIS 5 8.459 -4.034 -2.612
53 HD1 HIS 5 HD1 HIS 5 9.517 -4.055 -4.873
54 HD2 HIS 5 HD2 HIS 5 11.923 -2.215 -2.033
55 HE1 HIS 5 HE1 HIS 5 11.652 -3.464 -6.060
56 HE2 HIS 5 HE2 HIS 5 13.086 -2.347 -4.334
57 H ALA 6 HN ALA 6 8.777 -1.777 0.769
58 HA ALA 6 HA ALA 6 6.212 -2.924 1.482
59 HB1 ALA 6 HB1 ALA 6 6.947 -2.584 3.784
60 HB2 ALA 6 HB2 ALA 6 8.349 -1.672 3.217
61 HB3 ALA 6 HB3 ALA 6 8.211 -3.394 2.855
62 H VAL 7 HN VAL 7 7.921 0.123 1.446
63 HA VAL 7 HA VAL 7 6.057 1.807 2.593
64 HB VAL 7 HB VAL 7 8.105 2.245 0.440
65 HG11 VAL 7 HG11 VAL 7 6.169 4.275 1.545
66 HG12 VAL 7 HG12 VAL 7 6.472 3.858 -0.153
67 HG13 VAL 7 HG13 VAL 7 7.701 4.714 0.787
68 HG21 VAL 7 HG21 VAL 7 7.868 3.121 3.307
69 HG22 VAL 7 HG22 VAL 7 9.181 3.571 2.215
70 HG23 VAL 7 HG23 VAL 7 8.943 1.880 2.658
71 H ARG 8 HN ARG 8 6.502 1.125 -0.851
72 HA ARG 8 HA ARG 8 4.315 2.661 -1.691
73 HB2 ARG 8 HB2 ARG 8 5.806 0.402 -3.001
74 HB3 ARG 8 HB1 ARG 8 4.597 1.381 -3.834
75 HG2 ARG 8 HG2 ARG 8 5.937 3.389 -3.377
76 HG3 ARG 8 HG1 ARG 8 7.153 2.384 -2.589
77 HD2 ARG 8 HD2 ARG 8 7.792 2.913 -4.889
78 HD3 ARG 8 HD1 ARG 8 7.533 1.181 -4.678
79 HE ARG 8 HE ARG 8 5.181 2.512 -5.605
80 HH11 ARG 8 HH11 ARG 8 8.277 1.275 -6.666
81 HH12 ARG 8 HH12 ARG 8 7.743 0.960 -8.283
82 HH21 ARG 8 HH21 ARG 8 4.473 2.103 -7.731
83 HH22 ARG 8 HH22 ARG 8 5.573 1.427 -8.891
84 H GLY 9 HN GLY 9 4.619 -0.810 -1.085
85 HA2 GLY 9 HA2 GLY 9 1.910 -1.415 -1.706
86 HA3 GLY 9 HA1 GLY 9 3.009 -2.432 -0.783
87 H TYR 10 HN TYR 10 3.184 0.352 0.803
88 HA TYR 10 HA TYR 10 1.194 -0.417 2.765
89 HB2 TYR 10 HB2 TYR 10 3.147 0.083 3.884
90 HB3 TYR 10 HB1 TYR 10 3.625 1.299 2.713
91 HD1 TYR 10 HD1 TYR 10 3.546 3.490 3.302
92 HD2 TYR 10 HD2 TYR 10 1.041 0.748 5.366
93 HE1 TYR 10 HE1 TYR 10 2.846 5.290 4.820
94 HE2 TYR 10 HE2 TYR 10 0.325 2.540 6.890
95 HH TYR 10 HH TYR 10 1.017 5.845 6.312
96 H TRP 11 HN TRP 11 2.105 2.602 1.026
97 HA TRP 11 HA TRP 11 -0.312 3.825 1.996
98 HB2 TRP 11 HB2 TRP 11 0.387 5.835 0.756
99 HB3 TRP 11 HB1 TRP 11 1.618 5.242 1.856
100 HD1 TRP 11 HD1 TRP 11 3.785 4.045 0.674
101 HE1 TRP 11 HE1 TRP 11 4.887 4.540 -1.599
102 HE3 TRP 11 HE3 TRP 11 -0.072 6.523 -1.579
103 HZ2 TRP 11 HZ2 TRP 11 4.217 5.811 -4.015
104 HZ3 TRP 11 HZ3 TRP 11 0.243 7.360 -3.871
105 HH2 TRP 11 HH2 TRP 11 2.346 7.009 -5.063
106 H LEU 12 HN LEU 12 0.733 2.424 -1.055
107 HA LEU 12 HA LEU 12 -1.339 3.464 -2.651
108 HB2 LEU 12 HB2 LEU 12 0.190 0.877 -2.883
109 HB3 LEU 12 HB1 LEU 12 -0.888 1.496 -4.120
110 HG LEU 12 HG LEU 12 1.561 2.958 -3.135
111 HD11 LEU 12 HD11 LEU 12 2.158 0.848 -4.248
112 HD12 LEU 12 HD12 LEU 12 2.613 2.248 -5.215
113 HD13 LEU 12 HD13 LEU 12 1.181 1.312 -5.641
114 HD21 LEU 12 HD21 LEU 12 1.222 4.307 -5.142
115 HD22 LEU 12 HD22 LEU 12 -0.169 4.396 -4.062
116 HD23 LEU 12 HD23 LEU 12 -0.240 3.396 -5.512
117 H THR 13 HN THR 13 -1.213 0.759 -0.462
118 HA THR 13 HA THR 13 -3.780 -0.272 -1.337
119 HB THR 13 HB THR 13 -1.657 -1.566 -0.439
120 HG1 THR 13 HG1 THR 13 -4.192 -2.454 0.475
121 HG21 THR 13 HG21 THR 13 -3.231 -1.046 2.075
122 HG22 THR 13 HG22 THR 13 -1.574 -0.534 1.747
123 HG23 THR 13 HG23 THR 13 -1.952 -2.249 1.911
124 H ASN 14 HN ASN 14 -2.758 2.168 0.607
125 HA ASN 14 HA ASN 14 -4.827 1.811 2.650
126 HB2 ASN 14 HB2 ASN 14 -2.177 2.944 2.595
127 HB3 ASN 14 HB1 ASN 14 -3.345 4.093 3.241
128 HD21 ASN 14 HD21 ASN 14 -1.717 1.081 3.713
129 HD22 ASN 14 HD22 ASN 14 -2.236 0.814 5.345
130 H LYS 15 HN LYS 15 -3.665 4.229 0.308
131 HA LYS 15 HA LYS 15 -5.542 6.234 1.019
132 HB2 LYS 15 HB2 LYS 15 -4.277 5.934 -1.701
133 HB3 LYS 15 HB1 LYS 15 -4.811 7.414 -0.916
134 HG2 LYS 15 HG2 LYS 15 -2.497 5.688 -0.084
135 HG3 LYS 15 HG1 LYS 15 -2.398 7.253 -0.900
136 HD2 LYS 15 HD2 LYS 15 -3.453 8.327 1.034
137 HD3 LYS 15 HD1 LYS 15 -3.565 6.765 1.846
138 HE2 LYS 15 HE2 LYS 15 -1.117 6.579 1.786
139 HE3 LYS 15 HE1 LYS 15 -1.025 8.160 1.012
140 HZ1 LYS 15 HZ1 LYS 15 -2.072 7.588 3.732
141 HZ2 LYS 15 HZ2 LYS 15 -2.099 9.106 2.989
142 HZ3 LYS 15 HZ3 LYS 15 -0.622 8.371 3.354
143 H VAL 16 HN VAL 16 -5.555 3.650 -1.293
144 HA VAL 16 HA VAL 16 -7.894 4.143 -2.676
145 HB VAL 16 HB VAL 16 -6.517 2.380 -3.432
146 HG11 VAL 16 HG11 VAL 16 -6.872 1.033 -0.756
147 HG12 VAL 16 HG12 VAL 16 -5.437 1.935 -1.254
148 HG13 VAL 16 HG13 VAL 16 -5.895 0.452 -2.105
149 HG21 VAL 16 HG21 VAL 16 -8.005 0.429 -3.492
150 HG22 VAL 16 HG22 VAL 16 -8.894 1.931 -3.747
151 HG23 VAL 16 HG23 VAL 16 -8.961 1.121 -2.180
152 HA PRO 17 HA PRO 17 -10.797 3.794 0.751
153 HB2 PRO 17 HB2 PRO 17 -12.984 4.400 -0.767
154 HB3 PRO 17 HB1 PRO 17 -11.910 5.620 -0.079
155 HG2 PRO 17 HG2 PRO 17 -11.993 4.514 -2.854
156 HG3 PRO 17 HG1 PRO 17 -11.742 6.185 -2.320
157 HD2 PRO 17 HD2 PRO 17 -9.701 4.589 -3.101
158 HD3 PRO 17 HD1 PRO 17 -9.508 5.833 -1.857
159 H ILE 18 HN ILE 18 -11.308 1.830 1.365
160 HA ILE 18 HA ILE 18 -12.355 -0.079 -0.616
161 HB ILE 18 HB ILE 18 -11.614 -1.859 0.949
162 HG12 ILE 18 HG12 ILE 18 -10.268 0.414 2.428
163 HG13 ILE 18 HG11 ILE 18 -11.680 -0.463 3.004
164 HG21 ILE 18 HG21 ILE 18 -10.203 -1.187 -0.924
165 HG22 ILE 18 HG22 ILE 18 -9.228 -1.664 0.466
166 HG23 ILE 18 HG23 ILE 18 -9.442 0.045 0.083
167 HD11 ILE 18 HD11 ILE 18 -9.648 -1.244 4.075
168 HD12 ILE 18 HD12 ILE 18 -8.960 -1.642 2.502
169 HD13 ILE 18 HD13 ILE 18 -10.374 -2.515 3.093
170 H LYS 19 HN LYS 19 -13.984 1.829 0.575
171 HA LYS 19 HA LYS 19 -15.349 0.633 2.834
172 HB2 LYS 19 HB2 LYS 19 -16.120 3.080 1.239
173 HB3 LYS 19 HB1 LYS 19 -16.690 2.640 2.843
174 HG2 LYS 19 HG2 LYS 19 -14.455 2.963 3.744
175 HG3 LYS 19 HG1 LYS 19 -13.852 3.360 2.134
176 HD2 LYS 19 HD2 LYS 19 -15.413 5.271 2.063
177 HD3 LYS 19 HD1 LYS 19 -15.919 4.894 3.710
178 HE2 LYS 19 HE2 LYS 19 -13.620 5.241 4.483
179 HE3 LYS 19 HE1 LYS 19 -13.131 5.634 2.834
180 HZ1 LYS 19 HZ1 LYS 19 -15.070 7.145 4.495
181 HZ2 LYS 19 HZ2 LYS 19 -14.703 7.494 2.884
182 HZ3 LYS 19 HZ3 LYS 19 -13.509 7.641 4.072
183 H ARG 20 HN ARG 20 -16.194 1.623 -0.456
184 HA ARG 20 HA ARG 20 -18.726 0.322 -0.467
185 HB2 ARG 20 HB2 ARG 20 -17.001 1.373 -2.715
186 HB3 ARG 20 HB1 ARG 20 -18.650 0.798 -2.916
187 HG2 ARG 20 HG2 ARG 20 -19.497 2.567 -1.567
188 HG3 ARG 20 HG1 ARG 20 -17.877 3.079 -1.112
189 HD2 ARG 20 HD2 ARG 20 -18.838 4.534 -2.819
190 HD3 ARG 20 HD1 ARG 20 -17.426 3.675 -3.414
191 HE ARG 20 HE ARG 20 -19.686 2.184 -4.084
192 HH11 ARG 20 HH11 ARG 20 -18.208 5.250 -4.897
193 HH12 ARG 20 HH12 ARG 20 -18.879 5.297 -6.494
194 HH21 ARG 20 HH21 ARG 20 -20.567 2.230 -6.187
195 HH22 ARG 20 HH22 ARG 20 -20.237 3.580 -7.226
196 HA PRO 21 HA PRO 21 -16.929 -3.714 -1.475
197 HB2 PRO 21 HB2 PRO 21 -19.605 -4.781 -1.185
198 HB3 PRO 21 HB1 PRO 21 -18.195 -5.051 -0.160
199 HG2 PRO 21 HG2 PRO 21 -20.397 -3.650 0.640
200 HG3 PRO 21 HG1 PRO 21 -18.771 -3.382 1.291
201 HD2 PRO 21 HD2 PRO 21 -20.271 -1.817 -0.773
202 HD3 PRO 21 HD1 PRO 21 -19.225 -1.246 0.546
203 H SER 22 HN SER 22 -17.596 -1.889 -3.528
204 HA SER 22 HA SER 22 -19.421 -3.180 -5.343
205 HB2 SER 22 HB2 SER 22 -18.413 -1.339 -6.904
206 HB3 SER 22 HB1 SER 22 -19.462 -0.861 -5.569
207 HG SER 22 HG SER 22 -17.127 0.076 -5.996
Start of MODEL 16
1 H1 LEU 1 HT1 LEU 1 12.091 -8.579 -0.853
2 H2 LEU 1 HT2 LEU 1 10.754 -7.552 -0.826
3 H3 LEU 1 HT3 LEU 1 10.630 -9.113 -0.193
4 HA LEU 1 HA LEU 1 10.790 -7.483 1.559
5 HB2 LEU 1 HB2 LEU 1 13.201 -9.261 1.209
6 HB3 LEU 1 HB1 LEU 1 12.825 -8.420 2.698
7 HG LEU 1 HG LEU 1 11.098 -10.525 1.392
8 HD11 LEU 1 HD11 LEU 1 11.743 -11.915 3.282
9 HD12 LEU 1 HD12 LEU 1 12.792 -10.631 3.885
10 HD13 LEU 1 HD13 LEU 1 13.160 -11.426 2.354
11 HD21 LEU 1 HD21 LEU 1 10.789 -9.043 4.003
12 HD22 LEU 1 HD22 LEU 1 9.802 -10.407 3.481
13 HD23 LEU 1 HD23 LEU 1 9.754 -8.891 2.584
14 H ARG 2 HN ARG 2 11.010 -5.359 1.076
15 HA ARG 2 HA ARG 2 13.702 -4.294 1.267
16 HB2 ARG 2 HB2 ARG 2 13.060 -4.638 -1.223
17 HB3 ARG 2 HB1 ARG 2 11.932 -3.316 -0.956
18 HG2 ARG 2 HG2 ARG 2 13.932 -2.464 -1.959
19 HG3 ARG 2 HG1 ARG 2 13.815 -1.878 -0.301
20 HD2 ARG 2 HD2 ARG 2 15.408 -3.552 0.429
21 HD3 ARG 2 HD1 ARG 2 15.476 -4.224 -1.198
22 HE ARG 2 HE ARG 2 16.148 -1.523 -1.361
23 HH11 ARG 2 HH11 ARG 2 17.408 -4.467 0.034
24 HH12 ARG 2 HH12 ARG 2 19.063 -3.966 -0.073
25 HH21 ARG 2 HH21 ARG 2 18.316 -0.852 -1.519
26 HH22 ARG 2 HH22 ARG 2 19.585 -1.896 -0.964
27 H LEU 3 HN LEU 3 13.486 -1.767 1.352
28 HA LEU 3 HA LEU 3 11.433 -1.164 3.238
29 HB2 LEU 3 HB2 LEU 3 13.578 -0.140 3.528
30 HB3 LEU 3 HB1 LEU 3 13.529 0.536 1.911
31 HG LEU 3 HG LEU 3 11.722 2.043 2.567
32 HD11 LEU 3 HD11 LEU 3 11.029 2.216 4.898
33 HD12 LEU 3 HD12 LEU 3 12.025 0.818 5.302
34 HD13 LEU 3 HD13 LEU 3 10.640 0.634 4.224
35 HD21 LEU 3 HD21 LEU 3 12.992 3.465 4.096
36 HD22 LEU 3 HD22 LEU 3 14.021 2.793 2.832
37 HD23 LEU 3 HD23 LEU 3 14.068 2.116 4.460
38 H ILE 4 HN ILE 4 12.249 0.376 0.154
39 HA ILE 4 HA ILE 4 9.965 1.964 0.027
40 HB ILE 4 HB ILE 4 11.888 1.051 -2.073
41 HG12 ILE 4 HG12 ILE 4 12.668 2.584 -0.304
42 HG13 ILE 4 HG11 ILE 4 12.704 3.335 -1.897
43 HG21 ILE 4 HG21 ILE 4 9.850 1.426 -3.280
44 HG22 ILE 4 HG22 ILE 4 10.926 2.799 -3.551
45 HG23 ILE 4 HG23 ILE 4 9.576 2.947 -2.426
46 HD11 ILE 4 HD11 ILE 4 11.896 4.917 -0.295
47 HD12 ILE 4 HD12 ILE 4 10.677 3.782 0.278
48 HD13 ILE 4 HD13 ILE 4 10.560 4.454 -1.348
49 H HIS 5 HN HIS 5 10.451 -1.327 -1.069
50 HA HIS 5 HA HIS 5 8.082 -1.383 -2.687
51 HB2 HIS 5 HB2 HIS 5 9.716 -3.678 -1.582
52 HB3 HIS 5 HB1 HIS 5 8.462 -3.817 -2.810
53 HD1 HIS 5 HD1 HIS 5 9.255 -3.648 -5.179
54 HD2 HIS 5 HD2 HIS 5 11.923 -1.973 -2.469
55 HE1 HIS 5 HE1 HIS 5 11.240 -2.918 -6.543
56 HE2 HIS 5 HE2 HIS 5 12.927 -2.118 -4.853
57 H ALA 6 HN ALA 6 8.800 -1.744 0.624
58 HA ALA 6 HA ALA 6 6.299 -3.047 1.301
59 HB1 ALA 6 HB1 ALA 6 8.355 -3.527 2.571
60 HB2 ALA 6 HB2 ALA 6 7.100 -2.831 3.600
61 HB3 ALA 6 HB3 ALA 6 8.444 -1.830 3.045
62 H VAL 7 HN VAL 7 7.884 0.053 1.417
63 HA VAL 7 HA VAL 7 5.973 1.601 2.695
64 HB VAL 7 HB VAL 7 8.032 2.214 0.597
65 HG11 VAL 7 HG11 VAL 7 7.594 4.644 1.063
66 HG12 VAL 7 HG12 VAL 7 6.071 4.153 1.808
67 HG13 VAL 7 HG13 VAL 7 6.365 3.826 0.094
68 HG21 VAL 7 HG21 VAL 7 7.746 2.893 3.512
69 HG22 VAL 7 HG22 VAL 7 9.064 3.440 2.472
70 HG23 VAL 7 HG23 VAL 7 8.850 1.719 2.795
71 H ARG 8 HN ARG 8 6.440 1.116 -0.792
72 HA ARG 8 HA ARG 8 4.128 2.563 -1.523
73 HB2 ARG 8 HB2 ARG 8 5.737 0.506 -3.028
74 HB3 ARG 8 HB1 ARG 8 4.500 1.532 -3.755
75 HG2 ARG 8 HG2 ARG 8 5.785 3.517 -3.113
76 HG3 ARG 8 HG1 ARG 8 7.027 2.481 -2.409
77 HD2 ARG 8 HD2 ARG 8 7.742 3.166 -4.598
78 HD3 ARG 8 HD1 ARG 8 7.351 1.448 -4.646
79 HE ARG 8 HE ARG 8 5.129 3.068 -5.411
80 HH11 ARG 8 HH11 ARG 8 8.134 1.699 -6.571
81 HH12 ARG 8 HH12 ARG 8 7.653 1.729 -8.238
82 HH21 ARG 8 HH21 ARG 8 4.494 3.110 -7.609
83 HH22 ARG 8 HH22 ARG 8 5.581 2.521 -8.827
84 H GLY 9 HN GLY 9 4.736 -0.822 -0.853
85 HA2 GLY 9 HA2 GLY 9 2.093 -1.685 -1.544
86 HA3 GLY 9 HA1 GLY 9 3.283 -2.604 -0.627
87 H TYR 10 HN TYR 10 3.230 0.214 0.918
88 HA TYR 10 HA TYR 10 1.123 -0.547 2.762
89 HB2 TYR 10 HB2 TYR 10 2.934 0.032 4.050
90 HB3 TYR 10 HB1 TYR 10 3.535 1.181 2.868
91 HD1 TYR 10 HD1 TYR 10 3.629 3.298 3.579
92 HD2 TYR 10 HD2 TYR 10 0.442 0.864 4.980
93 HE1 TYR 10 HE1 TYR 10 2.776 5.197 4.878
94 HE2 TYR 10 HE2 TYR 10 -0.430 2.758 6.299
95 HH TYR 10 HH TYR 10 0.536 5.928 5.808
96 H TRP 11 HN TRP 11 2.114 2.456 1.012
97 HA TRP 11 HA TRP 11 -0.333 3.668 1.910
98 HB2 TRP 11 HB2 TRP 11 0.445 5.724 0.839
99 HB3 TRP 11 HB1 TRP 11 1.627 5.049 1.947
100 HD1 TRP 11 HD1 TRP 11 3.878 4.031 0.818
101 HE1 TRP 11 HE1 TRP 11 5.042 4.620 -1.400
102 HE3 TRP 11 HE3 TRP 11 0.005 6.390 -1.515
103 HZ2 TRP 11 HZ2 TRP 11 4.402 5.928 -3.817
104 HZ3 TRP 11 HZ3 TRP 11 0.359 7.298 -3.776
105 HH2 TRP 11 HH2 TRP 11 2.513 7.069 -4.902
106 H LEU 12 HN LEU 12 0.643 2.123 -1.044
107 HA LEU 12 HA LEU 12 -1.365 3.390 -2.653
108 HB2 LEU 12 HB2 LEU 12 0.135 0.791 -3.015
109 HB3 LEU 12 HB1 LEU 12 -0.927 1.501 -4.219
110 HG LEU 12 HG LEU 12 1.549 2.852 -3.144
111 HD11 LEU 12 HD11 LEU 12 1.138 1.366 -5.743
112 HD12 LEU 12 HD12 LEU 12 2.130 0.824 -4.389
113 HD13 LEU 12 HD13 LEU 12 2.578 2.275 -5.286
114 HD21 LEU 12 HD21 LEU 12 -0.128 4.390 -3.962
115 HD22 LEU 12 HD22 LEU 12 -0.264 3.482 -5.468
116 HD23 LEU 12 HD23 LEU 12 1.235 4.326 -5.078
117 H THR 13 HN THR 13 -1.145 0.803 -0.461
118 HA THR 13 HA THR 13 -3.644 -0.462 -1.008
119 HB THR 13 HB THR 13 -2.433 -0.822 1.626
120 HG1 THR 13 HG1 THR 13 -0.454 -1.602 0.799
121 HG21 THR 13 HG21 THR 13 -2.788 -2.631 -0.742
122 HG22 THR 13 HG22 THR 13 -3.955 -2.413 0.563
123 HG23 THR 13 HG23 THR 13 -2.379 -3.133 0.895
124 H ASN 14 HN ASN 14 -2.662 2.327 0.620
125 HA ASN 14 HA ASN 14 -4.983 2.322 2.402
126 HB2 ASN 14 HB2 ASN 14 -2.359 3.699 2.429
127 HB3 ASN 14 HB1 ASN 14 -3.726 4.524 3.155
128 HD21 ASN 14 HD21 ASN 14 -1.677 1.706 3.307
129 HD22 ASN 14 HD22 ASN 14 -2.094 1.263 4.927
130 H LYS 15 HN LYS 15 -3.380 4.410 -0.001
131 HA LYS 15 HA LYS 15 -5.292 6.475 0.085
132 HB2 LYS 15 HB2 LYS 15 -4.300 7.244 -2.022
133 HB3 LYS 15 HB1 LYS 15 -3.076 6.835 -0.838
134 HG2 LYS 15 HG2 LYS 15 -2.195 5.945 -2.762
135 HG3 LYS 15 HG1 LYS 15 -3.020 4.548 -2.068
136 HD2 LYS 15 HD2 LYS 15 -4.955 4.998 -3.513
137 HD3 LYS 15 HD1 LYS 15 -4.095 6.363 -4.227
138 HE2 LYS 15 HE2 LYS 15 -2.345 4.822 -5.013
139 HE3 LYS 15 HE1 LYS 15 -3.247 3.469 -4.334
140 HZ1 LYS 15 HZ1 LYS 15 -3.684 3.649 -6.678
141 HZ2 LYS 15 HZ2 LYS 15 -4.149 5.266 -6.518
142 HZ3 LYS 15 HZ3 LYS 15 -5.094 4.047 -5.830
143 H VAL 16 HN VAL 16 -5.280 3.453 -1.485
144 HA VAL 16 HA VAL 16 -7.185 3.837 -3.472
145 HB VAL 16 HB VAL 16 -5.901 1.821 -3.457
146 HG11 VAL 16 HG11 VAL 16 -7.236 1.104 -0.850
147 HG12 VAL 16 HG12 VAL 16 -5.582 1.698 -1.005
148 HG13 VAL 16 HG13 VAL 16 -6.037 0.146 -1.720
149 HG21 VAL 16 HG21 VAL 16 -8.108 1.603 -4.431
150 HG22 VAL 16 HG22 VAL 16 -8.797 1.218 -2.853
151 HG23 VAL 16 HG23 VAL 16 -7.665 0.101 -3.619
152 HA PRO 17 HA PRO 17 -10.770 4.542 -0.855
153 HB2 PRO 17 HB2 PRO 17 -12.488 4.816 -2.974
154 HB3 PRO 17 HB1 PRO 17 -11.494 6.130 -2.339
155 HG2 PRO 17 HG2 PRO 17 -11.042 4.389 -4.721
156 HG3 PRO 17 HG1 PRO 17 -10.730 6.122 -4.521
157 HD2 PRO 17 HD2 PRO 17 -8.770 4.257 -4.401
158 HD3 PRO 17 HD1 PRO 17 -8.710 5.761 -3.468
159 H ILE 18 HN ILE 18 -11.548 2.798 0.087
160 HA ILE 18 HA ILE 18 -12.669 0.666 -1.590
161 HB ILE 18 HB ILE 18 -12.087 -0.952 0.221
162 HG12 ILE 18 HG12 ILE 18 -10.431 1.353 1.279
163 HG13 ILE 18 HG11 ILE 18 -11.862 0.684 2.055
164 HG21 ILE 18 HG21 ILE 18 -10.710 -0.787 -1.774
165 HG22 ILE 18 HG22 ILE 18 -9.710 -1.123 -0.362
166 HG23 ILE 18 HG23 ILE 18 -9.765 0.506 -1.036
167 HD11 ILE 18 HD11 ILE 18 -9.834 -0.112 3.115
168 HD12 ILE 18 HD12 ILE 18 -9.268 -0.764 1.577
169 HD13 ILE 18 HD13 ILE 18 -10.700 -1.444 2.350
170 H LYS 19 HN LYS 19 -13.880 3.000 -0.422
171 HA LYS 19 HA LYS 19 -15.815 1.723 1.401
172 HB2 LYS 19 HB2 LYS 19 -15.534 4.693 0.938
173 HB3 LYS 19 HB1 LYS 19 -16.387 3.881 2.239
174 HG2 LYS 19 HG2 LYS 19 -13.404 3.827 1.862
175 HG3 LYS 19 HG1 LYS 19 -14.262 4.928 2.936
176 HD2 LYS 19 HD2 LYS 19 -15.104 3.046 4.223
177 HD3 LYS 19 HD1 LYS 19 -14.323 1.915 3.118
178 HE2 LYS 19 HE2 LYS 19 -13.035 2.239 5.188
179 HE3 LYS 19 HE1 LYS 19 -12.142 2.745 3.756
180 HZ1 LYS 19 HZ1 LYS 19 -12.730 5.043 4.256
181 HZ2 LYS 19 HZ2 LYS 19 -11.893 4.338 5.544
182 HZ3 LYS 19 HZ3 LYS 19 -13.568 4.547 5.638
183 H ARG 20 HN ARG 20 -15.786 4.352 -0.998
184 HA ARG 20 HA ARG 20 -18.216 3.218 -2.184
185 HB2 ARG 20 HB2 ARG 20 -16.911 5.923 -2.552
186 HB3 ARG 20 HB1 ARG 20 -18.321 5.372 -3.450
187 HG2 ARG 20 HG2 ARG 20 -19.545 5.137 -1.333
188 HG3 ARG 20 HG1 ARG 20 -18.144 5.774 -0.473
189 HD2 ARG 20 HD2 ARG 20 -18.325 7.860 -1.741
190 HD3 ARG 20 HD1 ARG 20 -19.729 7.223 -2.594
191 HE ARG 20 HE ARG 20 -20.219 7.073 0.159
192 HH11 ARG 20 HH11 ARG 20 -19.828 9.490 -2.337
193 HH12 ARG 20 HH12 ARG 20 -20.846 10.654 -1.550
194 HH21 ARG 20 HH21 ARG 20 -21.562 8.602 1.205
195 HH22 ARG 20 HH22 ARG 20 -21.824 10.151 0.468
196 HA PRO 21 HA PRO 21 -15.528 1.678 -5.365
197 HB2 PRO 21 HB2 PRO 21 -17.357 0.335 -6.787
198 HB3 PRO 21 HB1 PRO 21 -16.859 -0.202 -5.178
199 HG2 PRO 21 HG2 PRO 21 -19.333 1.235 -6.015
200 HG3 PRO 21 HG1 PRO 21 -19.128 -0.030 -4.794
201 HD2 PRO 21 HD2 PRO 21 -19.302 2.701 -4.281
202 HD3 PRO 21 HD1 PRO 21 -18.656 1.486 -3.166
203 H SER 22 HN SER 22 -16.635 4.403 -5.600
204 HA SER 22 HA SER 22 -16.931 4.530 -8.521
205 HB2 SER 22 HB2 SER 22 -17.842 6.919 -7.850
206 HB3 SER 22 HB1 SER 22 -18.888 5.503 -7.766
207 HG SER 22 HG SER 22 -17.754 7.019 -5.717
Start of MODEL 17
1 H1 LEU 1 HT1 LEU 1 9.447 -6.477 2.535
2 H2 LEU 1 HT2 LEU 1 10.505 -6.686 3.832
3 H3 LEU 1 HT3 LEU 1 9.460 -7.934 3.395
4 HA LEU 1 HA LEU 1 11.617 -8.488 2.620
5 HB2 LEU 1 HB2 LEU 1 9.826 -7.498 0.395
6 HB3 LEU 1 HB1 LEU 1 11.259 -8.461 0.122
7 HG LEU 1 HG LEU 1 10.165 -10.249 1.572
8 HD11 LEU 1 HD11 LEU 1 7.687 -10.170 1.616
9 HD12 LEU 1 HD12 LEU 1 7.769 -8.483 1.108
10 HD13 LEU 1 HD13 LEU 1 8.450 -8.972 2.657
11 HD21 LEU 1 HD21 LEU 1 8.877 -9.484 -1.041
12 HD22 LEU 1 HD22 LEU 1 8.823 -11.080 -0.291
13 HD23 LEU 1 HD23 LEU 1 10.360 -10.418 -0.845
14 H ARG 2 HN ARG 2 10.585 -5.397 1.182
15 HA ARG 2 HA ARG 2 13.319 -4.414 1.527
16 HB2 ARG 2 HB2 ARG 2 12.658 -5.234 -0.914
17 HB3 ARG 2 HB1 ARG 2 11.862 -3.664 -0.948
18 HG2 ARG 2 HG2 ARG 2 13.886 -3.132 -1.844
19 HG3 ARG 2 HG1 ARG 2 14.181 -2.790 -0.141
20 HD2 ARG 2 HD2 ARG 2 14.954 -5.305 -1.615
21 HD3 ARG 2 HD1 ARG 2 16.042 -4.005 -1.145
22 HE ARG 2 HE ARG 2 14.572 -5.407 0.965
23 HH11 ARG 2 HH11 ARG 2 17.579 -4.840 -0.729
24 HH12 ARG 2 HH12 ARG 2 18.562 -5.538 0.519
25 HH21 ARG 2 HH21 ARG 2 15.858 -6.319 2.617
26 HH22 ARG 2 HH22 ARG 2 17.581 -6.383 2.420
27 H LEU 3 HN LEU 3 13.415 -2.096 1.661
28 HA LEU 3 HA LEU 3 11.367 -1.076 3.214
29 HB2 LEU 3 HB2 LEU 3 13.601 -0.222 3.409
30 HB3 LEU 3 HB1 LEU 3 13.571 0.344 1.751
31 HG LEU 3 HG LEU 3 11.949 2.053 2.309
32 HD11 LEU 3 HD11 LEU 3 11.248 2.415 4.626
33 HD12 LEU 3 HD12 LEU 3 12.060 0.923 5.100
34 HD13 LEU 3 HD13 LEU 3 10.684 0.869 3.997
35 HD21 LEU 3 HD21 LEU 3 13.319 3.409 3.833
36 HD22 LEU 3 HD22 LEU 3 14.288 2.613 2.592
37 HD23 LEU 3 HD23 LEU 3 14.264 1.976 4.238
38 H ILE 4 HN ILE 4 12.248 0.086 -0.011
39 HA ILE 4 HA ILE 4 10.098 1.839 -0.264
40 HB ILE 4 HB ILE 4 11.878 0.539 -2.280
41 HG12 ILE 4 HG12 ILE 4 12.822 2.185 -0.698
42 HG13 ILE 4 HG11 ILE 4 12.898 2.741 -2.369
43 HG21 ILE 4 HG21 ILE 4 9.848 0.945 -3.484
44 HG22 ILE 4 HG22 ILE 4 11.018 2.188 -3.930
45 HG23 ILE 4 HG23 ILE 4 9.715 2.568 -2.801
46 HD11 ILE 4 HD11 ILE 4 12.266 4.560 -0.945
47 HD12 ILE 4 HD12 ILE 4 10.944 3.618 -0.257
48 HD13 ILE 4 HD13 ILE 4 10.885 4.115 -1.948
49 H HIS 5 HN HIS 5 10.293 -1.572 -0.949
50 HA HIS 5 HA HIS 5 7.896 -1.645 -2.536
51 HB2 HIS 5 HB2 HIS 5 9.432 -3.911 -1.241
52 HB3 HIS 5 HB1 HIS 5 8.145 -4.095 -2.431
53 HD1 HIS 5 HD1 HIS 5 8.973 -4.376 -4.759
54 HD2 HIS 5 HD2 HIS 5 11.633 -2.244 -2.385
55 HE1 HIS 5 HE1 HIS 5 10.930 -3.836 -6.248
56 HE2 HIS 5 HE2 HIS 5 12.483 -2.464 -4.825
57 H ALA 6 HN ALA 6 8.710 -1.807 0.788
58 HA ALA 6 HA ALA 6 6.152 -2.876 1.615
59 HB1 ALA 6 HB1 ALA 6 8.228 -3.362 2.872
60 HB2 ALA 6 HB2 ALA 6 7.010 -2.564 3.871
61 HB3 ALA 6 HB3 ALA 6 8.379 -1.643 3.242
62 H VAL 7 HN VAL 7 7.840 0.131 1.289
63 HA VAL 7 HA VAL 7 6.045 1.852 2.551
64 HB VAL 7 HB VAL 7 8.038 2.224 0.334
65 HG11 VAL 7 HG11 VAL 7 7.691 4.699 0.642
66 HG12 VAL 7 HG12 VAL 7 6.178 4.306 1.466
67 HG13 VAL 7 HG13 VAL 7 6.411 3.848 -0.229
68 HG21 VAL 7 HG21 VAL 7 7.904 3.135 3.197
69 HG22 VAL 7 HG22 VAL 7 9.183 3.564 2.058
70 HG23 VAL 7 HG23 VAL 7 8.946 1.880 2.523
71 H ARG 8 HN ARG 8 6.398 1.095 -0.890
72 HA ARG 8 HA ARG 8 4.172 2.605 -1.696
73 HB2 ARG 8 HB2 ARG 8 5.676 0.359 -3.013
74 HB3 ARG 8 HB1 ARG 8 4.419 1.293 -3.830
75 HG2 ARG 8 HG2 ARG 8 5.724 3.347 -3.400
76 HG3 ARG 8 HG1 ARG 8 6.999 2.357 -2.689
77 HD2 ARG 8 HD2 ARG 8 7.309 1.199 -4.800
78 HD3 ARG 8 HD1 ARG 8 5.976 2.098 -5.518
79 HE ARG 8 HE ARG 8 8.057 3.785 -4.487
80 HH11 ARG 8 HH11 ARG 8 7.054 1.863 -7.239
81 HH12 ARG 8 HH12 ARG 8 7.973 2.787 -8.379
82 HH21 ARG 8 HH21 ARG 8 9.285 4.989 -5.975
83 HH22 ARG 8 HH22 ARG 8 9.257 4.568 -7.659
84 H GLY 9 HN GLY 9 4.538 -0.820 -0.928
85 HA2 GLY 9 HA2 GLY 9 1.805 -1.444 -1.512
86 HA3 GLY 9 HA1 GLY 9 2.938 -2.468 -0.634
87 H TYR 10 HN TYR 10 3.140 0.375 0.886
88 HA TYR 10 HA TYR 10 1.177 -0.337 2.899
89 HB2 TYR 10 HB2 TYR 10 3.112 0.250 4.007
90 HB3 TYR 10 HB1 TYR 10 3.594 1.392 2.768
91 HD1 TYR 10 HD1 TYR 10 0.948 1.022 5.406
92 HD2 TYR 10 HD2 TYR 10 3.558 3.593 3.250
93 HE1 TYR 10 HE1 TYR 10 0.232 2.916 6.807
94 HE2 TYR 10 HE2 TYR 10 2.855 5.488 4.636
95 HH TYR 10 HH TYR 10 1.040 5.102 7.505
96 H TRP 11 HN TRP 11 2.074 2.695 1.166
97 HA TRP 11 HA TRP 11 -0.412 3.822 2.073
98 HB2 TRP 11 HB2 TRP 11 0.335 5.922 1.111
99 HB3 TRP 11 HB1 TRP 11 1.574 5.210 2.129
100 HD1 TRP 11 HD1 TRP 11 3.743 4.143 0.790
101 HE1 TRP 11 HE1 TRP 11 4.813 4.900 -1.428
102 HE3 TRP 11 HE3 TRP 11 -0.148 6.829 -1.098
103 HZ2 TRP 11 HZ2 TRP 11 4.095 6.446 -3.676
104 HZ3 TRP 11 HZ3 TRP 11 0.115 7.934 -3.283
105 HH2 TRP 11 HH2 TRP 11 2.197 7.742 -4.547
106 H LEU 12 HN LEU 12 0.761 2.513 -0.960
107 HA LEU 12 HA LEU 12 -1.340 3.680 -2.536
108 HB2 LEU 12 HB2 LEU 12 0.536 1.374 -3.067
109 HB3 LEU 12 HB1 LEU 12 -0.628 1.967 -4.236
110 HG LEU 12 HG LEU 12 1.630 3.595 -3.073
111 HD11 LEU 12 HD11 LEU 12 2.441 1.804 -4.532
112 HD12 LEU 12 HD12 LEU 12 2.657 3.390 -5.269
113 HD13 LEU 12 HD13 LEU 12 1.342 2.341 -5.801
114 HD21 LEU 12 HD21 LEU 12 1.022 5.164 -4.887
115 HD22 LEU 12 HD22 LEU 12 -0.234 4.975 -3.665
116 HD23 LEU 12 HD23 LEU 12 -0.396 4.169 -5.225
117 H THR 13 HN THR 13 -0.905 0.996 -0.529
118 HA THR 13 HA THR 13 -3.209 -0.460 -1.447
119 HB THR 13 HB THR 13 -0.954 -0.835 0.437
120 HG1 THR 13 HG1 THR 13 -0.754 -2.729 -0.691
121 HG21 THR 13 HG21 THR 13 -3.523 -2.356 0.756
122 HG22 THR 13 HG22 THR 13 -2.784 -1.257 1.922
123 HG23 THR 13 HG23 THR 13 -1.979 -2.768 1.503
124 H ASN 14 HN ASN 14 -2.513 2.086 0.701
125 HA ASN 14 HA ASN 14 -4.853 1.542 2.378
126 HB2 ASN 14 HB2 ASN 14 -2.343 3.036 2.752
127 HB3 ASN 14 HB1 ASN 14 -3.774 3.773 3.462
128 HD21 ASN 14 HD21 ASN 14 -1.642 1.028 3.502
129 HD22 ASN 14 HD22 ASN 14 -2.177 0.391 5.022
130 H LYS 15 HN LYS 15 -3.406 4.331 0.662
131 HA LYS 15 HA LYS 15 -5.618 6.017 1.159
132 HB2 LYS 15 HB2 LYS 15 -4.572 7.595 -0.309
133 HB3 LYS 15 HB1 LYS 15 -3.352 6.862 0.710
134 HG2 LYS 15 HG2 LYS 15 -2.274 6.855 -1.295
135 HG3 LYS 15 HG1 LYS 15 -3.054 5.279 -1.369
136 HD2 LYS 15 HD2 LYS 15 -3.553 6.148 -3.443
137 HD3 LYS 15 HD1 LYS 15 -4.987 6.580 -2.509
138 HE2 LYS 15 HE2 LYS 15 -2.642 8.421 -2.970
139 HE3 LYS 15 HE1 LYS 15 -4.096 8.404 -3.959
140 HZ1 LYS 15 HZ1 LYS 15 -3.977 9.015 -1.056
141 HZ2 LYS 15 HZ2 LYS 15 -5.389 8.974 -1.986
142 HZ3 LYS 15 HZ3 LYS 15 -4.203 10.137 -2.298
143 H VAL 16 HN VAL 16 -5.029 3.684 -1.217
144 HA VAL 16 HA VAL 16 -6.490 4.377 -3.389
145 HB VAL 16 HB VAL 16 -5.369 2.290 -3.417
146 HG11 VAL 16 HG11 VAL 16 -7.209 1.376 -1.208
147 HG12 VAL 16 HG12 VAL 16 -5.500 1.784 -1.028
148 HG13 VAL 16 HG13 VAL 16 -5.980 0.395 -2.008
149 HG21 VAL 16 HG21 VAL 16 -7.326 2.333 -4.831
150 HG22 VAL 16 HG22 VAL 16 -8.352 1.827 -3.487
151 HG23 VAL 16 HG23 VAL 16 -7.143 0.717 -4.142
152 HA PRO 17 HA PRO 17 -10.586 5.055 -1.628
153 HB2 PRO 17 HB2 PRO 17 -11.648 5.879 -4.022
154 HB3 PRO 17 HB1 PRO 17 -10.815 6.945 -2.887
155 HG2 PRO 17 HG2 PRO 17 -9.795 5.655 -5.375
156 HG3 PRO 17 HG1 PRO 17 -9.477 7.277 -4.740
157 HD2 PRO 17 HD2 PRO 17 -7.700 5.255 -4.500
158 HD3 PRO 17 HD1 PRO 17 -7.862 6.524 -3.276
159 H ILE 18 HN ILE 18 -11.795 3.352 -1.304
160 HA ILE 18 HA ILE 18 -11.978 1.256 -3.313
161 HB ILE 18 HB ILE 18 -13.125 -0.032 -1.491
162 HG12 ILE 18 HG12 ILE 18 -12.310 2.354 0.185
163 HG13 ILE 18 HG11 ILE 18 -13.963 1.897 -0.208
164 HG21 ILE 18 HG21 ILE 18 -10.375 1.060 -0.903
165 HG22 ILE 18 HG22 ILE 18 -10.760 -0.317 -1.936
166 HG23 ILE 18 HG23 ILE 18 -11.060 -0.406 -0.201
167 HD11 ILE 18 HD11 ILE 18 -13.383 1.227 2.043
168 HD12 ILE 18 HD12 ILE 18 -12.024 0.286 1.431
169 HD13 ILE 18 HD13 ILE 18 -13.676 -0.185 1.030
170 H LYS 19 HN LYS 19 -13.297 3.475 -4.135
171 HA LYS 19 HA LYS 19 -16.140 2.929 -3.649
172 HB2 LYS 19 HB2 LYS 19 -14.757 5.289 -4.930
173 HB3 LYS 19 HB1 LYS 19 -16.500 5.092 -4.852
174 HG2 LYS 19 HG2 LYS 19 -14.627 5.336 -2.506
175 HG3 LYS 19 HG1 LYS 19 -15.735 6.577 -3.098
176 HD2 LYS 19 HD2 LYS 19 -17.634 5.097 -2.596
177 HD3 LYS 19 HD1 LYS 19 -16.514 3.885 -1.976
178 HE2 LYS 19 HE2 LYS 19 -15.750 5.506 -0.278
179 HE3 LYS 19 HE1 LYS 19 -16.948 6.656 -0.870
180 HZ1 LYS 19 HZ1 LYS 19 -18.697 5.145 -0.253
181 HZ2 LYS 19 HZ2 LYS 19 -17.707 5.420 1.089
182 HZ3 LYS 19 HZ3 LYS 19 -17.580 3.969 0.230
183 H ARG 20 HN ARG 20 -13.772 2.005 -5.597
184 HA ARG 20 HA ARG 20 -14.799 1.993 -8.199
185 HB2 ARG 20 HB2 ARG 20 -13.084 -0.065 -6.791
186 HB3 ARG 20 HB1 ARG 20 -13.301 0.057 -8.527
187 HG2 ARG 20 HG2 ARG 20 -12.167 2.300 -6.897
188 HG3 ARG 20 HG1 ARG 20 -11.177 0.998 -7.549
189 HD2 ARG 20 HD2 ARG 20 -11.131 2.916 -9.037
190 HD3 ARG 20 HD1 ARG 20 -11.938 1.556 -9.808
191 HE ARG 20 HE ARG 20 -13.624 3.543 -8.498
192 HH11 ARG 20 HH11 ARG 20 -12.288 2.260 -11.469
193 HH12 ARG 20 HH12 ARG 20 -13.471 3.024 -12.481
194 HH21 ARG 20 HH21 ARG 20 -15.203 4.530 -9.824
195 HH22 ARG 20 HH22 ARG 20 -15.130 4.311 -11.545
196 HA PRO 21 HA PRO 21 -17.951 -1.174 -8.049
197 HB2 PRO 21 HB2 PRO 21 -16.985 -2.367 -10.537
198 HB3 PRO 21 HB1 PRO 21 -18.480 -1.480 -10.234
199 HG2 PRO 21 HG2 PRO 21 -16.473 -0.470 -11.732
200 HG3 PRO 21 HG1 PRO 21 -17.536 0.551 -10.747
201 HD2 PRO 21 HD2 PRO 21 -14.757 -0.409 -10.169
202 HD3 PRO 21 HD1 PRO 21 -15.478 1.192 -9.896
203 H SER 22 HN SER 22 -15.578 -1.790 -6.621
204 HA SER 22 HA SER 22 -14.767 -3.531 -5.435
205 HB2 SER 22 HB2 SER 22 -17.083 -4.518 -5.765
206 HB3 SER 22 HB1 SER 22 -16.415 -5.415 -7.128
207 HG SER 22 HG SER 22 -15.961 -6.814 -5.615
Start of MODEL 18
1 H1 LEU 1 HT1 LEU 1 14.907 -7.889 3.655
2 H2 LEU 1 HT2 LEU 1 14.488 -8.594 2.181
3 H3 LEU 1 HT3 LEU 1 13.969 -9.295 3.628
4 HA LEU 1 HA LEU 1 12.175 -8.111 2.550
5 HB2 LEU 1 HB2 LEU 1 13.215 -6.847 5.087
6 HB3 LEU 1 HB1 LEU 1 11.604 -6.586 4.451
7 HG LEU 1 HG LEU 1 12.709 -9.251 5.348
8 HD11 LEU 1 HD11 LEU 1 12.352 -7.708 7.208
9 HD12 LEU 1 HD12 LEU 1 11.178 -9.023 7.227
10 HD13 LEU 1 HD13 LEU 1 10.700 -7.423 6.658
11 HD21 LEU 1 HD21 LEU 1 10.377 -10.008 5.128
12 HD22 LEU 1 HD22 LEU 1 11.067 -9.512 3.583
13 HD23 LEU 1 HD23 LEU 1 9.949 -8.444 4.433
14 H ARG 2 HN ARG 2 11.330 -6.202 1.699
15 HA ARG 2 HA ARG 2 13.375 -4.262 0.871
16 HB2 ARG 2 HB2 ARG 2 10.921 -5.346 -0.363
17 HB3 ARG 2 HB1 ARG 2 11.210 -3.635 -0.629
18 HG2 ARG 2 HG2 ARG 2 12.077 -5.058 -2.432
19 HG3 ARG 2 HG1 ARG 2 13.335 -4.103 -1.655
20 HD2 ARG 2 HD2 ARG 2 14.014 -6.059 -0.357
21 HD3 ARG 2 HD1 ARG 2 12.721 -7.004 -1.091
22 HE ARG 2 HE ARG 2 14.467 -5.855 -3.040
23 HH11 ARG 2 HH11 ARG 2 14.122 -8.517 -0.798
24 HH12 ARG 2 HH12 ARG 2 15.137 -9.587 -1.711
25 HH21 ARG 2 HH21 ARG 2 15.811 -7.258 -4.240
26 HH22 ARG 2 HH22 ARG 2 16.094 -8.871 -3.666
27 H LEU 3 HN LEU 3 13.081 -2.092 1.138
28 HA LEU 3 HA LEU 3 11.248 -1.329 3.253
29 HB2 LEU 3 HB2 LEU 3 13.512 -0.575 3.500
30 HB3 LEU 3 HB1 LEU 3 13.514 0.107 1.886
31 HG LEU 3 HG LEU 3 11.903 1.812 2.588
32 HD11 LEU 3 HD11 LEU 3 11.301 2.061 4.928
33 HD12 LEU 3 HD12 LEU 3 12.170 0.579 5.323
34 HD13 LEU 3 HD13 LEU 3 10.740 0.516 4.291
35 HD21 LEU 3 HD21 LEU 3 14.304 1.616 4.398
36 HD22 LEU 3 HD22 LEU 3 13.385 3.081 4.060
37 HD23 LEU 3 HD23 LEU 3 14.284 2.286 2.768
38 H ILE 4 HN ILE 4 12.169 -0.058 0.084
39 HA ILE 4 HA ILE 4 10.113 1.875 0.023
40 HB ILE 4 HB ILE 4 11.915 0.762 -2.086
41 HG12 ILE 4 HG12 ILE 4 12.866 2.189 -0.303
42 HG13 ILE 4 HG11 ILE 4 13.004 2.919 -1.900
43 HG21 ILE 4 HG21 ILE 4 9.848 2.926 -2.415
44 HG22 ILE 4 HG22 ILE 4 9.915 1.379 -3.265
45 HG23 ILE 4 HG23 ILE 4 11.153 2.602 -3.557
46 HD11 ILE 4 HD11 ILE 4 11.019 4.307 -1.379
47 HD12 ILE 4 HD12 ILE 4 12.389 4.599 -0.309
48 HD13 ILE 4 HD13 ILE 4 11.025 3.632 0.250
49 H HIS 5 HN HIS 5 10.286 -1.426 -1.079
50 HA HIS 5 HA HIS 5 7.885 -1.276 -2.654
51 HB2 HIS 5 HB2 HIS 5 9.319 -3.728 -1.604
52 HB3 HIS 5 HB1 HIS 5 8.098 -3.700 -2.871
53 HD1 HIS 5 HD1 HIS 5 8.972 -3.517 -5.208
54 HD2 HIS 5 HD2 HIS 5 11.720 -2.227 -2.374
55 HE1 HIS 5 HE1 HIS 5 11.090 -3.032 -6.478
56 HE2 HIS 5 HE2 HIS 5 12.772 -2.369 -4.734
57 H ALA 6 HN ALA 6 8.686 -1.750 0.636
58 HA ALA 6 HA ALA 6 6.132 -2.880 1.395
59 HB1 ALA 6 HB1 ALA 6 8.197 -3.421 2.647
60 HB2 ALA 6 HB2 ALA 6 6.968 -2.673 3.670
61 HB3 ALA 6 HB3 ALA 6 8.341 -1.721 3.101
62 H VAL 7 HN VAL 7 7.864 0.144 1.385
63 HA VAL 7 HA VAL 7 6.031 1.814 2.611
64 HB VAL 7 HB VAL 7 8.075 2.258 0.457
65 HG11 VAL 7 HG11 VAL 7 7.703 4.716 0.748
66 HG12 VAL 7 HG12 VAL 7 6.194 4.331 1.578
67 HG13 VAL 7 HG13 VAL 7 6.415 3.872 -0.115
68 HG21 VAL 7 HG21 VAL 7 9.172 3.559 2.229
69 HG22 VAL 7 HG22 VAL 7 8.890 1.881 2.690
70 HG23 VAL 7 HG23 VAL 7 7.845 3.154 3.319
71 H ARG 8 HN ARG 8 6.397 1.096 -0.847
72 HA ARG 8 HA ARG 8 4.134 2.602 -1.602
73 HB2 ARG 8 HB2 ARG 8 5.633 0.428 -3.046
74 HB3 ARG 8 HB1 ARG 8 4.401 1.446 -3.788
75 HG2 ARG 8 HG2 ARG 8 5.743 3.427 -3.286
76 HG3 ARG 8 HG1 ARG 8 6.981 2.403 -2.557
77 HD2 ARG 8 HD2 ARG 8 7.245 1.250 -4.730
78 HD3 ARG 8 HD1 ARG 8 6.078 2.366 -5.437
79 HE ARG 8 HE ARG 8 7.837 4.094 -4.506
80 HH11 ARG 8 HH11 ARG 8 8.396 1.058 -6.158
81 HH12 ARG 8 HH12 ARG 8 9.891 1.570 -6.868
82 HH21 ARG 8 HH21 ARG 8 9.819 4.771 -5.429
83 HH22 ARG 8 HH22 ARG 8 10.710 3.679 -6.443
84 H GLY 9 HN GLY 9 4.613 -0.818 -0.895
85 HA2 GLY 9 HA2 GLY 9 1.913 -1.576 -1.452
86 HA3 GLY 9 HA1 GLY 9 3.084 -2.506 -0.523
87 H TYR 10 HN TYR 10 3.173 0.370 0.902
88 HA TYR 10 HA TYR 10 1.165 -0.295 2.886
89 HB2 TYR 10 HB2 TYR 10 3.076 0.296 4.010
90 HB3 TYR 10 HB1 TYR 10 3.591 1.414 2.761
91 HD1 TYR 10 HD1 TYR 10 0.939 1.092 5.388
92 HD2 TYR 10 HD2 TYR 10 3.529 3.637 3.184
93 HE1 TYR 10 HE1 TYR 10 0.249 2.996 6.790
94 HE2 TYR 10 HE2 TYR 10 2.850 5.545 4.567
95 HH TYR 10 HH TYR 10 1.252 5.228 7.481
96 H TRP 11 HN TRP 11 2.094 2.667 1.041
97 HA TRP 11 HA TRP 11 -0.395 3.855 1.866
98 HB2 TRP 11 HB2 TRP 11 0.360 5.892 0.756
99 HB3 TRP 11 HB1 TRP 11 1.561 5.260 1.868
100 HD1 TRP 11 HD1 TRP 11 3.791 4.158 0.713
101 HE1 TRP 11 HE1 TRP 11 4.938 4.739 -1.517
102 HE3 TRP 11 HE3 TRP 11 -0.067 6.593 -1.555
103 HZ2 TRP 11 HZ2 TRP 11 4.288 6.065 -3.920
104 HZ3 TRP 11 HZ3 TRP 11 0.271 7.507 -3.817
105 HH2 TRP 11 HH2 TRP 11 2.406 7.245 -4.977
106 H LEU 12 HN LEU 12 0.710 2.288 -1.048
107 HA LEU 12 HA LEU 12 -1.364 3.408 -2.710
108 HB2 LEU 12 HB2 LEU 12 0.441 1.012 -3.084
109 HB3 LEU 12 HB1 LEU 12 -0.701 1.574 -4.289
110 HG LEU 12 HG LEU 12 1.623 3.186 -3.237
111 HD11 LEU 12 HD11 LEU 12 2.638 2.779 -5.420
112 HD12 LEU 12 HD12 LEU 12 1.283 1.743 -5.867
113 HD13 LEU 12 HD13 LEU 12 2.367 1.263 -4.561
114 HD21 LEU 12 HD21 LEU 12 1.088 4.654 -5.136
115 HD22 LEU 12 HD22 LEU 12 -0.209 4.573 -3.943
116 HD23 LEU 12 HD23 LEU 12 -0.349 3.681 -5.459
117 H THR 13 HN THR 13 -0.956 0.938 -0.472
118 HA THR 13 HA THR 13 -3.289 -0.582 -1.183
119 HB THR 13 HB THR 13 -1.274 -0.749 1.064
120 HG1 THR 13 HG1 THR 13 -0.206 -2.153 -0.222
121 HG21 THR 13 HG21 THR 13 -3.299 -2.742 0.129
122 HG22 THR 13 HG22 THR 13 -3.338 -1.837 1.638
123 HG23 THR 13 HG23 THR 13 -2.060 -3.012 1.351
124 H ASN 14 HN ASN 14 -2.589 2.212 0.552
125 HA ASN 14 HA ASN 14 -4.639 1.746 2.595
126 HB2 ASN 14 HB2 ASN 14 -2.146 3.222 2.516
127 HB3 ASN 14 HB1 ASN 14 -3.478 4.193 3.125
128 HD21 ASN 14 HD21 ASN 14 -1.529 1.363 3.629
129 HD22 ASN 14 HD22 ASN 14 -1.982 1.098 5.281
130 H LYS 15 HN LYS 15 -3.641 4.257 0.265
131 HA LYS 15 HA LYS 15 -5.694 6.085 0.795
132 HB2 LYS 15 HB2 LYS 15 -4.420 5.615 -1.900
133 HB3 LYS 15 HB1 LYS 15 -5.160 7.099 -1.320
134 HG2 LYS 15 HG2 LYS 15 -2.651 5.831 -0.264
135 HG3 LYS 15 HG1 LYS 15 -2.743 7.265 -1.291
136 HD2 LYS 15 HD2 LYS 15 -4.187 8.280 0.562
137 HD3 LYS 15 HD1 LYS 15 -3.617 6.948 1.569
138 HE2 LYS 15 HE2 LYS 15 -2.198 8.823 1.978
139 HE3 LYS 15 HE1 LYS 15 -1.280 7.653 1.033
140 HZ1 LYS 15 HZ1 LYS 15 -1.814 8.957 -0.965
141 HZ2 LYS 15 HZ2 LYS 15 -0.931 9.850 0.167
142 HZ3 LYS 15 HZ3 LYS 15 -2.593 10.107 0.001
143 H VAL 16 HN VAL 16 -5.508 3.453 -1.460
144 HA VAL 16 HA VAL 16 -7.946 3.652 -2.734
145 HB VAL 16 HB VAL 16 -6.316 2.147 -3.571
146 HG11 VAL 16 HG11 VAL 16 -6.467 0.648 -0.957
147 HG12 VAL 16 HG12 VAL 16 -5.179 1.771 -1.404
148 HG13 VAL 16 HG13 VAL 16 -5.416 0.277 -2.327
149 HG21 VAL 16 HG21 VAL 16 -7.523 -0.019 -3.656
150 HG22 VAL 16 HG22 VAL 16 -8.568 1.368 -3.961
151 HG23 VAL 16 HG23 VAL 16 -8.604 0.569 -2.390
152 HA PRO 17 HA PRO 17 -10.714 2.638 0.695
153 HB2 PRO 17 HB2 PRO 17 -12.928 2.648 -0.988
154 HB3 PRO 17 HB1 PRO 17 -12.347 4.026 -0.053
155 HG2 PRO 17 HG2 PRO 17 -12.028 3.425 -2.929
156 HG3 PRO 17 HG1 PRO 17 -12.089 4.989 -2.105
157 HD2 PRO 17 HD2 PRO 17 -9.793 3.849 -3.072
158 HD3 PRO 17 HD1 PRO 17 -9.826 5.016 -1.743
159 H ILE 18 HN ILE 18 -10.780 0.621 1.292
160 HA ILE 18 HA ILE 18 -11.298 -1.491 -0.693
161 HB ILE 18 HB ILE 18 -9.834 -2.939 0.836
162 HG12 ILE 18 HG12 ILE 18 -8.831 -0.213 1.683
163 HG13 ILE 18 HG11 ILE 18 -9.784 -1.288 2.700
164 HG21 ILE 18 HG21 ILE 18 -8.547 -0.728 -0.756
165 HG22 ILE 18 HG22 ILE 18 -9.160 -2.250 -1.401
166 HG23 ILE 18 HG23 ILE 18 -7.782 -2.250 -0.301
167 HD11 ILE 18 HD11 ILE 18 -7.986 -2.949 2.595
168 HD12 ILE 18 HD12 ILE 18 -7.438 -1.413 3.267
169 HD13 ILE 18 HD13 ILE 18 -7.037 -1.841 1.603
170 H LYS 19 HN LYS 19 -13.350 -0.361 0.681
171 HA LYS 19 HA LYS 19 -13.925 -1.858 3.076
172 HB2 LYS 19 HB2 LYS 19 -15.602 0.002 1.389
173 HB3 LYS 19 HB1 LYS 19 -16.184 -0.767 2.858
174 HG2 LYS 19 HG2 LYS 19 -13.798 1.064 2.723
175 HG3 LYS 19 HG1 LYS 19 -15.426 1.566 3.187
176 HD2 LYS 19 HD2 LYS 19 -15.305 -0.224 4.985
177 HD3 LYS 19 HD1 LYS 19 -13.586 -0.343 4.611
178 HE2 LYS 19 HE2 LYS 19 -15.029 2.153 5.497
179 HE3 LYS 19 HE1 LYS 19 -14.014 1.140 6.518
180 HZ1 LYS 19 HZ1 LYS 19 -12.825 3.083 5.724
181 HZ2 LYS 19 HZ2 LYS 19 -13.098 2.632 4.119
182 HZ3 LYS 19 HZ3 LYS 19 -12.126 1.672 5.113
183 H ARG 20 HN ARG 20 -14.632 -2.044 -0.323
184 HA ARG 20 HA ARG 20 -16.405 -4.334 0.050
185 HB2 ARG 20 HB2 ARG 20 -15.486 -2.894 -2.453
186 HB3 ARG 20 HB1 ARG 20 -16.547 -4.292 -2.458
187 HG2 ARG 20 HG2 ARG 20 -17.998 -2.498 -2.685
188 HG3 ARG 20 HG1 ARG 20 -18.087 -2.881 -0.966
189 HD2 ARG 20 HD2 ARG 20 -16.528 -1.079 -0.470
190 HD3 ARG 20 HD1 ARG 20 -16.380 -0.718 -2.189
191 HE ARG 20 HE ARG 20 -19.057 -0.581 -1.075
192 HH11 ARG 20 HH11 ARG 20 -16.144 1.156 -1.937
193 HH12 ARG 20 HH12 ARG 20 -16.948 2.683 -2.094
194 HH21 ARG 20 HH21 ARG 20 -20.119 1.432 -1.264
195 HH22 ARG 20 HH22 ARG 20 -19.211 2.838 -1.720
196 HA PRO 21 HA PRO 21 -13.078 -7.184 -0.647
197 HB2 PRO 21 HB2 PRO 21 -14.411 -9.388 -1.378
198 HB3 PRO 21 HB1 PRO 21 -14.562 -8.723 0.254
199 HG2 PRO 21 HG2 PRO 21 -16.422 -8.466 -2.075
200 HG3 PRO 21 HG1 PRO 21 -16.802 -8.744 -0.367
201 HD2 PRO 21 HD2 PRO 21 -16.941 -6.290 -1.610
202 HD3 PRO 21 HD1 PRO 21 -16.713 -6.517 0.135
203 H SER 22 HN SER 22 -13.777 -5.398 -2.865
204 HA SER 22 HA SER 22 -12.598 -6.900 -5.032
205 HB2 SER 22 HB2 SER 22 -15.284 -5.533 -5.380
206 HB3 SER 22 HB1 SER 22 -14.351 -6.327 -6.648
207 HG SER 22 HG SER 22 -14.602 -8.095 -4.725
Start of MODEL 19
1 H1 LEU 1 HT1 LEU 1 9.866 -8.454 2.641
2 H2 LEU 1 HT2 LEU 1 10.657 -7.745 1.331
3 H3 LEU 1 HT3 LEU 1 9.940 -6.773 2.508
4 HA LEU 1 HA LEU 1 11.491 -7.505 4.154
5 HB2 LEU 1 HB2 LEU 1 12.379 -9.302 1.926
6 HB3 LEU 1 HB1 LEU 1 13.522 -8.812 3.157
7 HG LEU 1 HG LEU 1 11.978 -9.792 4.876
8 HD11 LEU 1 HD11 LEU 1 9.897 -9.784 3.683
9 HD12 LEU 1 HD12 LEU 1 10.331 -11.450 4.061
10 HD13 LEU 1 HD13 LEU 1 10.563 -10.829 2.429
11 HD21 LEU 1 HD21 LEU 1 12.614 -12.111 4.394
12 HD22 LEU 1 HD22 LEU 1 13.944 -10.987 4.113
13 HD23 LEU 1 HD23 LEU 1 13.039 -11.643 2.748
14 H ARG 2 HN ARG 2 11.047 -5.281 2.520
15 HA ARG 2 HA ARG 2 13.725 -4.182 2.445
16 HB2 ARG 2 HB2 ARG 2 12.966 -5.184 0.098
17 HB3 ARG 2 HB1 ARG 2 12.070 -3.675 0.010
18 HG2 ARG 2 HG2 ARG 2 14.094 -3.267 -1.091
19 HG3 ARG 2 HG1 ARG 2 14.262 -2.505 0.488
20 HD2 ARG 2 HD2 ARG 2 16.300 -3.635 0.065
21 HD3 ARG 2 HD1 ARG 2 15.427 -4.602 1.252
22 HE ARG 2 HE ARG 2 14.840 -5.505 -1.363
23 HH11 ARG 2 HH11 ARG 2 17.393 -5.537 1.029
24 HH12 ARG 2 HH12 ARG 2 18.123 -6.984 0.412
25 HH21 ARG 2 HH21 ARG 2 15.796 -7.415 -2.175
26 HH22 ARG 2 HH22 ARG 2 17.213 -8.052 -1.405
27 H LEU 3 HN LEU 3 13.424 -1.694 1.741
28 HA LEU 3 HA LEU 3 11.365 -0.732 3.505
29 HB2 LEU 3 HB2 LEU 3 13.538 0.300 3.631
30 HB3 LEU 3 HB1 LEU 3 13.476 0.721 1.929
31 HG LEU 3 HG LEU 3 11.668 2.296 2.346
32 HD11 LEU 3 HD11 LEU 3 10.565 1.114 4.162
33 HD12 LEU 3 HD12 LEU 3 10.925 2.782 4.619
34 HD13 LEU 3 HD13 LEU 3 11.926 1.465 5.231
35 HD21 LEU 3 HD21 LEU 3 12.899 3.930 3.690
36 HD22 LEU 3 HD22 LEU 3 13.955 3.102 2.544
37 HD23 LEU 3 HD23 LEU 3 13.980 2.653 4.250
38 H ILE 4 HN ILE 4 12.279 0.309 0.252
39 HA ILE 4 HA ILE 4 9.978 1.808 -0.202
40 HB ILE 4 HB ILE 4 11.986 0.615 -2.071
41 HG12 ILE 4 HG12 ILE 4 12.712 2.390 -0.519
42 HG13 ILE 4 HG11 ILE 4 12.800 2.899 -2.202
43 HG21 ILE 4 HG21 ILE 4 11.089 2.075 -3.835
44 HG22 ILE 4 HG22 ILE 4 9.725 2.470 -2.787
45 HG23 ILE 4 HG23 ILE 4 9.955 0.814 -3.351
46 HD11 ILE 4 HD11 ILE 4 10.689 3.651 -0.199
47 HD12 ILE 4 HD12 ILE 4 10.654 4.083 -1.907
48 HD13 ILE 4 HD13 ILE 4 11.943 4.692 -0.872
49 H HIS 5 HN HIS 5 10.611 -1.573 -0.818
50 HA HIS 5 HA HIS 5 8.340 -1.963 -2.522
51 HB2 HIS 5 HB2 HIS 5 9.972 -4.017 -1.009
52 HB3 HIS 5 HB1 HIS 5 8.832 -4.362 -2.306
53 HD1 HIS 5 HD1 HIS 5 9.800 -4.423 -4.619
54 HD2 HIS 5 HD2 HIS 5 12.214 -2.375 -1.923
55 HE1 HIS 5 HE1 HIS 5 11.883 -3.818 -5.896
56 HE2 HIS 5 HE2 HIS 5 13.403 -2.748 -4.193
57 H ALA 6 HN ALA 6 8.869 -1.786 0.822
58 HA ALA 6 HA ALA 6 6.332 -3.012 1.536
59 HB1 ALA 6 HB1 ALA 6 8.300 -3.346 2.973
60 HB2 ALA 6 HB2 ALA 6 7.010 -2.500 3.830
61 HB3 ALA 6 HB3 ALA 6 8.408 -1.602 3.226
62 H VAL 7 HN VAL 7 7.937 0.081 1.314
63 HA VAL 7 HA VAL 7 6.041 1.765 2.422
64 HB VAL 7 HB VAL 7 8.110 2.164 0.288
65 HG11 VAL 7 HG11 VAL 7 6.137 4.207 1.283
66 HG12 VAL 7 HG12 VAL 7 6.468 3.731 -0.390
67 HG13 VAL 7 HG13 VAL 7 7.675 4.632 0.534
68 HG21 VAL 7 HG21 VAL 7 8.904 1.885 2.539
69 HG22 VAL 7 HG22 VAL 7 7.812 3.144 3.116
70 HG23 VAL 7 HG23 VAL 7 9.144 3.557 2.033
71 H ARG 8 HN ARG 8 6.493 0.972 -1.007
72 HA ARG 8 HA ARG 8 4.388 2.583 -1.893
73 HB2 ARG 8 HB2 ARG 8 5.760 0.233 -3.173
74 HB3 ARG 8 HB1 ARG 8 4.618 1.279 -4.017
75 HG2 ARG 8 HG2 ARG 8 6.068 3.200 -3.592
76 HG3 ARG 8 HG1 ARG 8 7.207 2.155 -2.744
77 HD2 ARG 8 HD2 ARG 8 7.968 2.545 -5.015
78 HD3 ARG 8 HD1 ARG 8 7.518 0.853 -4.812
79 HE ARG 8 HE ARG 8 5.655 2.783 -6.025
80 HH11 ARG 8 HH11 ARG 8 7.524 -0.173 -6.213
81 HH12 ARG 8 HH12 ARG 8 6.771 -0.704 -7.681
82 HH21 ARG 8 HH21 ARG 8 4.665 2.079 -7.961
83 HH22 ARG 8 HH22 ARG 8 5.145 0.572 -8.673
84 H GLY 9 HN GLY 9 4.470 -0.872 -1.141
85 HA2 GLY 9 HA2 GLY 9 1.740 -1.304 -1.873
86 HA3 GLY 9 HA1 GLY 9 2.743 -2.399 -0.930
87 H TYR 10 HN TYR 10 3.173 0.222 0.749
88 HA TYR 10 HA TYR 10 1.185 -0.452 2.707
89 HB2 TYR 10 HB2 TYR 10 3.167 0.010 3.769
90 HB3 TYR 10 HB1 TYR 10 3.643 1.208 2.582
91 HD1 TYR 10 HD1 TYR 10 3.508 3.439 3.060
92 HD2 TYR 10 HD2 TYR 10 1.294 0.703 5.444
93 HE1 TYR 10 HE1 TYR 10 2.936 5.261 4.600
94 HE2 TYR 10 HE2 TYR 10 0.707 2.522 6.995
95 HH TYR 10 HH TYR 10 1.314 5.837 6.249
96 H TRP 11 HN TRP 11 2.058 2.604 1.020
97 HA TRP 11 HA TRP 11 -0.346 3.797 2.062
98 HB2 TRP 11 HB2 TRP 11 0.375 5.862 0.965
99 HB3 TRP 11 HB1 TRP 11 1.639 5.171 1.968
100 HD1 TRP 11 HD1 TRP 11 3.712 3.971 0.595
101 HE1 TRP 11 HE1 TRP 11 4.733 4.603 -1.682
102 HE3 TRP 11 HE3 TRP 11 -0.140 6.752 -1.274
103 HZ2 TRP 11 HZ2 TRP 11 4.005 6.088 -3.956
104 HZ3 TRP 11 HZ3 TRP 11 0.106 7.760 -3.506
105 HH2 TRP 11 HH2 TRP 11 2.137 7.433 -4.820
106 H LEU 12 HN LEU 12 0.708 2.574 -1.077
107 HA LEU 12 HA LEU 12 -1.401 3.668 -2.587
108 HB2 LEU 12 HB2 LEU 12 0.225 1.166 -3.010
109 HB3 LEU 12 HB1 LEU 12 -0.902 1.812 -4.191
110 HG LEU 12 HG LEU 12 1.476 3.333 -3.137
111 HD11 LEU 12 HD11 LEU 12 2.213 1.348 -4.363
112 HD12 LEU 12 HD12 LEU 12 2.546 2.820 -5.275
113 HD13 LEU 12 HD13 LEU 12 1.179 1.797 -5.720
114 HD21 LEU 12 HD21 LEU 12 -0.395 3.804 -5.452
115 HD22 LEU 12 HD22 LEU 12 1.051 4.751 -5.104
116 HD23 LEU 12 HD23 LEU 12 -0.296 4.750 -3.967
117 H THR 13 HN THR 13 -1.246 0.944 -0.466
118 HA THR 13 HA THR 13 -3.807 -0.095 -1.391
119 HB THR 13 HB THR 13 -1.676 -1.425 -0.507
120 HG1 THR 13 HG1 THR 13 -3.124 -2.870 -1.052
121 HG21 THR 13 HG21 THR 13 -2.072 -2.214 1.802
122 HG22 THR 13 HG22 THR 13 -3.343 -1.000 1.969
123 HG23 THR 13 HG23 THR 13 -1.668 -0.497 1.726
124 H ASN 14 HN ASN 14 -2.696 2.182 0.840
125 HA ASN 14 HA ASN 14 -4.830 1.637 2.775
126 HB2 ASN 14 HB2 ASN 14 -2.145 2.744 2.941
127 HB3 ASN 14 HB1 ASN 14 -3.341 3.705 3.804
128 HD21 ASN 14 HD21 ASN 14 -1.616 0.733 3.663
129 HD22 ASN 14 HD22 ASN 14 -2.134 0.107 5.192
130 H LYS 15 HN LYS 15 -3.401 4.429 1.077
131 HA LYS 15 HA LYS 15 -5.216 6.345 2.037
132 HB2 LYS 15 HB2 LYS 15 -3.884 6.466 -0.667
133 HB3 LYS 15 HB1 LYS 15 -4.340 7.808 0.372
134 HG2 LYS 15 HG2 LYS 15 -2.212 5.785 0.995
135 HG3 LYS 15 HG1 LYS 15 -1.918 7.393 0.332
136 HD2 LYS 15 HD2 LYS 15 -3.498 7.158 2.842
137 HD3 LYS 15 HD1 LYS 15 -1.758 6.901 2.925
138 HE2 LYS 15 HE2 LYS 15 -2.252 9.205 3.403
139 HE3 LYS 15 HE1 LYS 15 -1.418 9.102 1.862
140 HZ1 LYS 15 HZ1 LYS 15 -3.271 10.655 1.803
141 HZ2 LYS 15 HZ2 LYS 15 -4.349 9.419 2.209
142 HZ3 LYS 15 HZ3 LYS 15 -3.523 9.371 0.734
143 H VAL 16 HN VAL 16 -5.289 4.204 -0.664
144 HA VAL 16 HA VAL 16 -7.525 5.160 -2.038
145 HB VAL 16 HB VAL 16 -6.073 3.609 -3.114
146 HG11 VAL 16 HG11 VAL 16 -5.664 1.354 -2.321
147 HG12 VAL 16 HG12 VAL 16 -6.760 1.605 -0.965
148 HG13 VAL 16 HG13 VAL 16 -5.248 2.516 -1.052
149 HG21 VAL 16 HG21 VAL 16 -8.683 2.215 -2.511
150 HG22 VAL 16 HG22 VAL 16 -7.611 1.853 -3.866
151 HG23 VAL 16 HG23 VAL 16 -8.414 3.421 -3.771
152 HA PRO 17 HA PRO 17 -10.553 3.914 1.080
153 HB2 PRO 17 HB2 PRO 17 -12.653 5.136 -0.154
154 HB3 PRO 17 HB1 PRO 17 -11.525 5.989 0.904
155 HG2 PRO 17 HG2 PRO 17 -11.620 5.888 -2.080
156 HG3 PRO 17 HG1 PRO 17 -11.266 7.260 -1.014
157 HD2 PRO 17 HD2 PRO 17 -9.333 5.849 -2.308
158 HD3 PRO 17 HD1 PRO 17 -9.069 6.640 -0.743
159 H ILE 18 HN ILE 18 -11.147 1.877 0.946
160 HA ILE 18 HA ILE 18 -12.024 0.757 -1.604
161 HB ILE 18 HB ILE 18 -11.996 -1.431 -0.347
162 HG12 ILE 18 HG12 ILE 18 -10.652 0.259 1.778
163 HG13 ILE 18 HG11 ILE 18 -12.229 -0.509 1.930
164 HG21 ILE 18 HG21 ILE 18 -10.166 -0.767 -1.788
165 HG22 ILE 18 HG22 ILE 18 -9.540 -1.596 -0.364
166 HG23 ILE 18 HG23 ILE 18 -9.438 0.160 -0.477
167 HD11 ILE 18 HD11 ILE 18 -9.597 -1.929 1.603
168 HD12 ILE 18 HD12 ILE 18 -11.174 -2.702 1.758
169 HD13 ILE 18 HD13 ILE 18 -10.515 -1.764 3.099
170 H LYS 19 HN LYS 19 -13.854 2.447 -1.007
171 HA LYS 19 HA LYS 19 -15.922 1.092 0.586
172 HB2 LYS 19 HB2 LYS 19 -15.607 4.029 -0.042
173 HB3 LYS 19 HB1 LYS 19 -16.899 3.327 0.919
174 HG2 LYS 19 HG2 LYS 19 -15.273 2.568 2.570
175 HG3 LYS 19 HG1 LYS 19 -13.967 3.239 1.597
176 HD2 LYS 19 HD2 LYS 19 -14.298 4.898 3.169
177 HD3 LYS 19 HD1 LYS 19 -15.285 5.463 1.824
178 HE2 LYS 19 HE2 LYS 19 -16.335 3.899 4.174
179 HE3 LYS 19 HE1 LYS 19 -16.379 5.653 4.053
180 HZ1 LYS 19 HZ1 LYS 19 -17.793 3.699 2.325
181 HZ2 LYS 19 HZ2 LYS 19 -17.713 5.355 1.994
182 HZ3 LYS 19 HZ3 LYS 19 -18.480 4.811 3.398
183 H ARG 20 HN ARG 20 -15.103 2.099 -2.569
184 HA ARG 20 HA ARG 20 -17.874 2.251 -3.447
185 HB2 ARG 20 HB2 ARG 20 -15.291 2.521 -4.989
186 HB3 ARG 20 HB1 ARG 20 -16.881 2.583 -5.729
187 HG2 ARG 20 HG2 ARG 20 -16.400 4.807 -5.498
188 HG3 ARG 20 HG1 ARG 20 -17.297 4.497 -4.013
189 HD2 ARG 20 HD2 ARG 20 -15.172 4.222 -2.811
190 HD3 ARG 20 HD1 ARG 20 -14.299 4.576 -4.301
191 HE ARG 20 HE ARG 20 -16.186 6.546 -3.223
192 HH11 ARG 20 HH11 ARG 20 -12.907 5.647 -4.057
193 HH12 ARG 20 HH12 ARG 20 -12.284 7.253 -3.866
194 HH21 ARG 20 HH21 ARG 20 -15.369 8.661 -2.971
195 HH22 ARG 20 HH22 ARG 20 -13.682 8.965 -3.238
196 HA PRO 21 HA PRO 21 -17.720 -2.038 -4.678
197 HB2 PRO 21 HB2 PRO 21 -20.318 -2.318 -5.254
198 HB3 PRO 21 HB1 PRO 21 -19.770 -2.134 -3.584
199 HG2 PRO 21 HG2 PRO 21 -21.072 -0.153 -5.380
200 HG3 PRO 21 HG1 PRO 21 -21.221 -0.349 -3.625
201 HD2 PRO 21 HD2 PRO 21 -19.596 1.516 -4.972
202 HD3 PRO 21 HD1 PRO 21 -19.521 1.107 -3.250
203 H SER 22 HN SER 22 -17.072 0.202 -6.491
204 HA SER 22 HA SER 22 -17.405 -1.143 -8.993
205 HB2 SER 22 HB2 SER 22 -18.506 0.841 -10.107
206 HB3 SER 22 HB1 SER 22 -19.550 -0.044 -8.995
207 HG SER 22 HG SER 22 -18.080 2.278 -8.291
Start of MODEL 20
1 H1 LEU 1 HT1 LEU 1 13.647 -8.473 3.306
2 H2 LEU 1 HT2 LEU 1 13.211 -8.982 1.757
3 H3 LEU 1 HT3 LEU 1 12.308 -9.482 3.096
4 HA LEU 1 HA LEU 1 11.185 -7.765 1.852
5 HB2 LEU 1 HB2 LEU 1 10.868 -6.171 3.779
6 HB3 LEU 1 HB1 LEU 1 10.607 -7.864 4.137
7 HG LEU 1 HG LEU 1 13.041 -7.834 5.025
8 HD11 LEU 1 HD11 LEU 1 12.414 -4.887 5.114
9 HD12 LEU 1 HD12 LEU 1 13.672 -5.652 4.144
10 HD13 LEU 1 HD13 LEU 1 13.777 -5.680 5.903
11 HD21 LEU 1 HD21 LEU 1 12.261 -7.087 7.220
12 HD22 LEU 1 HD22 LEU 1 11.084 -8.134 6.426
13 HD23 LEU 1 HD23 LEU 1 10.826 -6.389 6.469
14 H ARG 2 HN ARG 2 11.068 -5.403 1.474
15 HA ARG 2 HA ARG 2 13.654 -4.059 1.336
16 HB2 ARG 2 HB2 ARG 2 13.102 -5.357 -0.827
17 HB3 ARG 2 HB1 ARG 2 11.876 -4.127 -1.076
18 HG2 ARG 2 HG2 ARG 2 14.016 -3.760 -2.296
19 HG3 ARG 2 HG1 ARG 2 13.504 -2.421 -1.278
20 HD2 ARG 2 HD2 ARG 2 15.921 -2.875 -1.105
21 HD3 ARG 2 HD1 ARG 2 15.095 -3.088 0.437
22 HE ARG 2 HE ARG 2 15.272 -5.541 -0.994
23 HH11 ARG 2 HH11 ARG 2 17.180 -3.319 0.916
24 HH12 ARG 2 HH12 ARG 2 18.232 -4.552 1.530
25 HH21 ARG 2 HH21 ARG 2 16.669 -7.170 -0.200
26 HH22 ARG 2 HH22 ARG 2 17.941 -6.743 0.901
27 H LEU 3 HN LEU 3 13.463 -1.973 1.793
28 HA LEU 3 HA LEU 3 11.256 -1.157 3.204
29 HB2 LEU 3 HB2 LEU 3 13.362 -0.130 3.610
30 HB3 LEU 3 HB1 LEU 3 13.449 0.472 1.965
31 HG LEU 3 HG LEU 3 11.581 2.006 2.424
32 HD11 LEU 3 HD11 LEU 3 11.768 0.952 5.241
33 HD12 LEU 3 HD12 LEU 3 10.435 0.687 4.115
34 HD13 LEU 3 HD13 LEU 3 10.781 2.314 4.705
35 HD21 LEU 3 HD21 LEU 3 12.781 3.535 3.882
36 HD22 LEU 3 HD22 LEU 3 13.888 2.750 2.754
37 HD23 LEU 3 HD23 LEU 3 13.815 2.217 4.433
38 H ILE 4 HN ILE 4 12.207 0.185 0.076
39 HA ILE 4 HA ILE 4 10.067 1.958 -0.122
40 HB ILE 4 HB ILE 4 11.894 0.781 -2.178
41 HG12 ILE 4 HG12 ILE 4 12.802 2.296 -0.432
42 HG13 ILE 4 HG11 ILE 4 12.973 2.940 -2.064
43 HG21 ILE 4 HG21 ILE 4 9.859 1.334 -3.363
44 HG22 ILE 4 HG22 ILE 4 11.118 2.507 -3.749
45 HG23 ILE 4 HG23 ILE 4 9.832 2.934 -2.618
46 HD11 ILE 4 HD11 ILE 4 11.013 4.365 -1.677
47 HD12 ILE 4 HD12 ILE 4 12.317 4.680 -0.534
48 HD13 ILE 4 HD13 ILE 4 10.910 3.746 -0.030
49 H HIS 5 HN HIS 5 10.274 -1.404 -0.939
50 HA HIS 5 HA HIS 5 7.947 -1.378 -2.645
51 HB2 HIS 5 HB2 HIS 5 9.393 -3.740 -1.421
52 HB3 HIS 5 HB1 HIS 5 8.220 -3.806 -2.735
53 HD1 HIS 5 HD1 HIS 5 9.213 -3.796 -5.016
54 HD2 HIS 5 HD2 HIS 5 11.748 -2.112 -2.195
55 HE1 HIS 5 HE1 HIS 5 11.344 -3.271 -6.234
56 HE2 HIS 5 HE2 HIS 5 12.896 -2.343 -4.499
57 H ALA 6 HN ALA 6 8.678 -1.850 0.692
58 HA ALA 6 HA ALA 6 6.074 -2.919 1.342
59 HB1 ALA 6 HB1 ALA 6 8.239 -1.873 3.173
60 HB2 ALA 6 HB2 ALA 6 8.112 -3.549 2.627
61 HB3 ALA 6 HB3 ALA 6 6.847 -2.853 3.640
62 H VAL 7 HN VAL 7 7.841 0.061 1.369
63 HA VAL 7 HA VAL 7 6.042 1.753 2.621
64 HB VAL 7 HB VAL 7 8.041 2.142 0.418
65 HG11 VAL 7 HG11 VAL 7 6.403 3.735 -0.211
66 HG12 VAL 7 HG12 VAL 7 7.657 4.620 0.670
67 HG13 VAL 7 HG13 VAL 7 6.135 4.221 1.470
68 HG21 VAL 7 HG21 VAL 7 9.136 3.527 2.134
69 HG22 VAL 7 HG22 VAL 7 8.900 1.850 2.629
70 HG23 VAL 7 HG23 VAL 7 7.836 3.111 3.253
71 H ARG 8 HN ARG 8 6.374 0.975 -0.790
72 HA ARG 8 HA ARG 8 4.179 2.465 -1.667
73 HB2 ARG 8 HB2 ARG 8 5.709 0.166 -2.830
74 HB3 ARG 8 HB1 ARG 8 4.435 1.009 -3.724
75 HG2 ARG 8 HG2 ARG 8 5.685 3.130 -3.369
76 HG3 ARG 8 HG1 ARG 8 6.989 2.189 -2.640
77 HD2 ARG 8 HD2 ARG 8 7.437 2.687 -5.002
78 HD3 ARG 8 HD1 ARG 8 7.283 0.955 -4.719
79 HE ARG 8 HE ARG 8 5.077 1.061 -5.709
80 HH11 ARG 8 HH11 ARG 8 7.094 3.881 -6.192
81 HH12 ARG 8 HH12 ARG 8 6.243 4.401 -7.608
82 HH21 ARG 8 HH21 ARG 8 3.946 1.752 -7.556
83 HH22 ARG 8 HH22 ARG 8 4.453 3.187 -8.393
84 H GLY 9 HN GLY 9 4.479 -0.953 -0.805
85 HA2 GLY 9 HA2 GLY 9 1.760 -1.572 -1.397
86 HA3 GLY 9 HA1 GLY 9 2.850 -2.545 -0.415
87 H TYR 10 HN TYR 10 3.120 0.296 0.987
88 HA TYR 10 HA TYR 10 1.103 -0.263 2.986
89 HB2 TYR 10 HB2 TYR 10 3.090 0.213 4.058
90 HB3 TYR 10 HB1 TYR 10 3.600 1.357 2.829
91 HD1 TYR 10 HD1 TYR 10 3.583 3.570 3.299
92 HD2 TYR 10 HD2 TYR 10 1.032 1.006 5.529
93 HE1 TYR 10 HE1 TYR 10 2.945 5.464 4.722
94 HE2 TYR 10 HE2 TYR 10 0.377 2.895 6.965
95 HH TYR 10 HH TYR 10 1.206 5.064 7.648
96 H TRP 11 HN TRP 11 2.133 2.648 1.100
97 HA TRP 11 HA TRP 11 -0.314 3.933 1.917
98 HB2 TRP 11 HB2 TRP 11 0.483 5.923 0.757
99 HB3 TRP 11 HB1 TRP 11 1.682 5.287 1.870
100 HD1 TRP 11 HD1 TRP 11 3.838 4.032 0.688
101 HE1 TRP 11 HE1 TRP 11 4.991 4.561 -1.551
102 HE3 TRP 11 HE3 TRP 11 0.098 6.688 -1.536
103 HZ2 TRP 11 HZ2 TRP 11 4.398 5.935 -3.939
104 HZ3 TRP 11 HZ3 TRP 11 0.471 7.597 -3.796
105 HH2 TRP 11 HH2 TRP 11 2.578 7.223 -4.972
106 H LEU 12 HN LEU 12 0.829 2.411 -1.045
107 HA LEU 12 HA LEU 12 -1.199 3.537 -2.713
108 HB2 LEU 12 HB2 LEU 12 0.516 1.074 -3.036
109 HB3 LEU 12 HB1 LEU 12 -0.594 1.654 -4.264
110 HG LEU 12 HG LEU 12 1.757 3.220 -3.203
111 HD11 LEU 12 HD11 LEU 12 2.470 1.250 -4.469
112 HD12 LEU 12 HD12 LEU 12 2.797 2.739 -5.357
113 HD13 LEU 12 HD13 LEU 12 1.423 1.728 -5.805
114 HD21 LEU 12 HD21 LEU 12 1.294 4.665 -5.138
115 HD22 LEU 12 HD22 LEU 12 -0.032 4.636 -3.978
116 HD23 LEU 12 HD23 LEU 12 -0.155 3.716 -5.478
117 H THR 13 HN THR 13 -0.935 0.860 -0.597
118 HA THR 13 HA THR 13 -3.425 -0.347 -1.446
119 HB THR 13 HB THR 13 -1.052 -1.104 0.096
120 HG1 THR 13 HG1 THR 13 -2.982 -2.617 -1.355
121 HG21 THR 13 HG21 THR 13 -2.157 -2.849 1.415
122 HG22 THR 13 HG22 THR 13 -3.724 -2.161 0.986
123 HG23 THR 13 HG23 THR 13 -2.578 -1.219 1.941
124 H ASN 14 HN ASN 14 -2.483 2.133 0.574
125 HA ASN 14 HA ASN 14 -4.449 1.640 2.667
126 HB2 ASN 14 HB2 ASN 14 -1.949 2.843 2.594
127 HB3 ASN 14 HB1 ASN 14 -3.072 4.185 2.776
128 HD21 ASN 14 HD21 ASN 14 -1.768 1.326 4.188
129 HD22 ASN 14 HD22 ASN 14 -2.396 1.570 5.779
130 H LYS 15 HN LYS 15 -3.610 4.268 0.411
131 HA LYS 15 HA LYS 15 -5.709 5.977 1.208
132 HB2 LYS 15 HB2 LYS 15 -4.356 6.020 -1.485
133 HB3 LYS 15 HB1 LYS 15 -5.050 7.374 -0.601
134 HG2 LYS 15 HG2 LYS 15 -2.604 5.806 0.177
135 HG3 LYS 15 HG1 LYS 15 -2.625 7.432 -0.515
136 HD2 LYS 15 HD2 LYS 15 -3.805 8.272 1.441
137 HD3 LYS 15 HD1 LYS 15 -3.868 6.647 2.124
138 HE2 LYS 15 HE2 LYS 15 -1.414 6.602 2.207
139 HE3 LYS 15 HE1 LYS 15 -1.370 8.241 1.559
140 HZ1 LYS 15 HZ1 LYS 15 -2.588 8.988 3.518
141 HZ2 LYS 15 HZ2 LYS 15 -1.128 8.258 3.948
142 HZ3 LYS 15 HZ3 LYS 15 -2.580 7.417 4.143
143 H VAL 16 HN VAL 16 -5.457 3.521 -1.199
144 HA VAL 16 HA VAL 16 -7.812 3.977 -2.636
145 HB VAL 16 HB VAL 16 -6.227 2.500 -3.578
146 HG11 VAL 16 HG11 VAL 16 -5.411 0.486 -2.498
147 HG12 VAL 16 HG12 VAL 16 -6.433 0.800 -1.097
148 HG13 VAL 16 HG13 VAL 16 -5.101 1.897 -1.476
149 HG21 VAL 16 HG21 VAL 16 -8.515 1.805 -4.021
150 HG22 VAL 16 HG22 VAL 16 -8.517 0.817 -2.562
151 HG23 VAL 16 HG23 VAL 16 -7.459 0.399 -3.910
152 HA PRO 17 HA PRO 17 -10.640 2.761 0.679
153 HB2 PRO 17 HB2 PRO 17 -12.891 3.415 -0.728
154 HB3 PRO 17 HB1 PRO 17 -11.949 4.586 0.198
155 HG2 PRO 17 HG2 PRO 17 -11.967 4.060 -2.738
156 HG3 PRO 17 HG1 PRO 17 -11.836 5.602 -1.874
157 HD2 PRO 17 HD2 PRO 17 -9.697 4.324 -2.977
158 HD3 PRO 17 HD1 PRO 17 -9.573 5.368 -1.553
159 H ILE 18 HN ILE 18 -10.945 0.657 0.886
160 HA ILE 18 HA ILE 18 -11.623 -0.899 -1.508
161 HB ILE 18 HB ILE 18 -10.600 -2.853 -0.322
162 HG12 ILE 18 HG12 ILE 18 -9.636 -0.701 1.577
163 HG13 ILE 18 HG11 ILE 18 -10.757 -1.999 1.971
164 HG21 ILE 18 HG21 ILE 18 -9.397 -1.614 -2.046
165 HG22 ILE 18 HG22 ILE 18 -8.298 -2.196 -0.798
166 HG23 ILE 18 HG23 ILE 18 -8.782 -0.502 -0.824
167 HD11 ILE 18 HD11 ILE 18 -8.987 -3.638 1.561
168 HD12 ILE 18 HD12 ILE 18 -8.541 -2.480 2.814
169 HD13 ILE 18 HD13 ILE 18 -7.868 -2.325 1.193
170 H LYS 19 HN LYS 19 -13.492 0.394 0.221
171 HA LYS 19 HA LYS 19 -14.933 -1.927 1.297
172 HB2 LYS 19 HB2 LYS 19 -15.431 1.036 1.644
173 HB3 LYS 19 HB1 LYS 19 -16.509 -0.215 2.247
174 HG2 LYS 19 HG2 LYS 19 -14.671 -1.096 3.630
175 HG3 LYS 19 HG1 LYS 19 -13.647 0.223 3.067
176 HD2 LYS 19 HD2 LYS 19 -16.258 0.590 4.531
177 HD3 LYS 19 HD1 LYS 19 -14.670 0.625 5.298
178 HE2 LYS 19 HE2 LYS 19 -15.562 2.477 3.091
179 HE3 LYS 19 HE1 LYS 19 -15.580 2.878 4.806
180 HZ1 LYS 19 HZ1 LYS 19 -13.187 2.602 4.868
181 HZ2 LYS 19 HZ2 LYS 19 -13.611 3.739 3.691
182 HZ3 LYS 19 HZ3 LYS 19 -13.160 2.177 3.235
183 H ARG 20 HN ARG 20 -14.984 0.581 -1.097
184 HA ARG 20 HA ARG 20 -17.539 -0.065 -2.205
185 HB2 ARG 20 HB2 ARG 20 -16.814 1.345 -4.094
186 HB3 ARG 20 HB1 ARG 20 -16.529 2.145 -2.554
187 HG2 ARG 20 HG2 ARG 20 -14.193 1.683 -2.657
188 HG3 ARG 20 HG1 ARG 20 -14.410 0.627 -4.053
189 HD2 ARG 20 HD2 ARG 20 -15.137 2.544 -5.384
190 HD3 ARG 20 HD1 ARG 20 -14.913 3.599 -3.989
191 HE ARG 20 HE ARG 20 -12.511 2.918 -4.095
192 HH11 ARG 20 HH11 ARG 20 -14.510 2.748 -6.972
193 HH12 ARG 20 HH12 ARG 20 -13.177 2.995 -8.057
194 HH21 ARG 20 HH21 ARG 20 -10.764 3.238 -5.538
195 HH22 ARG 20 HH22 ARG 20 -11.062 3.271 -7.243
196 HA PRO 21 HA PRO 21 -16.123 -3.429 -4.828
197 HB2 PRO 21 HB2 PRO 21 -18.188 -3.512 -6.557
198 HB3 PRO 21 HB1 PRO 21 -18.339 -4.081 -4.891
199 HG2 PRO 21 HG2 PRO 21 -19.219 -1.492 -6.092
200 HG3 PRO 21 HG1 PRO 21 -20.055 -2.521 -4.918
201 HD2 PRO 21 HD2 PRO 21 -18.649 -0.265 -4.250
202 HD3 PRO 21 HD1 PRO 21 -18.916 -1.629 -3.148
203 H SER 22 HN SER 22 -14.842 -1.054 -5.265
204 HA SER 22 HA SER 22 -13.737 0.231 -6.750
205 HB2 SER 22 HB2 SER 22 -14.463 -1.935 -8.735
206 HB3 SER 22 HB1 SER 22 -13.150 -0.767 -8.889
207 HG SER 22 HG SER 22 -13.242 -3.114 -7.496