Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
642360 | 6csk RC | 30439 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 HT1 PRO 1 12.777 6.038 0.708
2 H3 PRO 1 HT2 PRO 1 13.926 5.792 1.836
3 HA PRO 1 HA PRO 1 14.314 4.509 -0.076
4 HB2 PRO 1 HB2 PRO 1 13.333 2.403 1.739
5 HB3 PRO 1 HB1 PRO 1 14.959 2.679 1.083
6 HG2 PRO 1 HG2 PRO 1 14.409 3.285 3.617
7 HG3 PRO 1 HG1 PRO 1 15.463 4.321 2.642
8 HD2 PRO 1 HD2 PRO 1 12.643 4.654 3.433
9 HD3 PRO 1 HD1 PRO 1 13.877 5.889 3.363
10 H MET 2 HN MET 2 13.574 3.351 -1.751
11 HA MET 2 HA MET 2 10.890 3.630 -2.500
12 HB2 MET 2 HB2 MET 2 12.800 3.545 -4.054
13 HB3 MET 2 HB1 MET 2 13.031 1.852 -3.667
14 HG2 MET 2 HG2 MET 2 11.920 2.109 -5.802
15 HG3 MET 2 HG1 MET 2 10.850 1.329 -4.640
16 HE1 MET 2 HE1 MET 2 10.100 2.788 -7.493
17 HE2 MET 2 HE2 MET 2 8.561 3.527 -7.052
18 HE3 MET 2 HE3 MET 2 8.931 1.884 -6.529
19 H LYS 3 HN LYS 3 12.697 0.860 -1.290
20 HA LYS 3 HA LYS 3 10.680 -1.064 -1.711
21 HB2 LYS 3 HB2 LYS 3 12.960 -1.054 0.261
22 HB3 LYS 3 HB1 LYS 3 11.978 -2.463 -0.123
23 HG2 LYS 3 HG2 LYS 3 12.730 -2.390 -2.435
24 HG3 LYS 3 HG1 LYS 3 13.684 -0.952 -2.106
25 HD2 LYS 3 HD2 LYS 3 14.092 -3.670 -0.850
26 HD3 LYS 3 HD1 LYS 3 15.053 -2.994 -2.163
27 HE2 LYS 3 HE2 LYS 3 15.768 -1.166 -0.699
28 HE3 LYS 3 HE1 LYS 3 14.807 -1.842 0.617
29 HZ1 LYS 3 HZ1 LYS 3 17.085 -2.435 0.845
30 HZ2 LYS 3 HZ2 LYS 3 17.139 -3.116 -0.693
31 HZ3 LYS 3 HZ3 LYS 3 16.192 -3.821 0.515
32 H LEU 4 HN LEU 4 11.292 1.139 0.912
33 HA LEU 4 HA LEU 4 9.274 -0.016 2.605
34 HB2 LEU 4 HB2 LEU 4 10.738 2.613 2.788
35 HB3 LEU 4 HB1 LEU 4 9.566 2.071 3.969
36 HG LEU 4 HG LEU 4 12.183 0.719 3.337
37 HD11 LEU 4 HD11 LEU 4 12.467 2.824 4.524
38 HD12 LEU 4 HD12 LEU 4 12.837 1.454 5.570
39 HD13 LEU 4 HD13 LEU 4 11.300 2.305 5.740
40 HD21 LEU 4 HD21 LEU 4 10.080 0.073 5.405
41 HD22 LEU 4 HD22 LEU 4 11.677 -0.662 5.314
42 HD23 LEU 4 HD23 LEU 4 10.520 -0.921 4.012
43 H LEU 5 HN LEU 5 9.412 2.449 0.169
44 HA LEU 5 HA LEU 5 6.915 3.639 0.772
45 HB2 LEU 5 HB2 LEU 5 8.407 3.532 -1.846
46 HB3 LEU 5 HB1 LEU 5 6.989 4.515 -1.553
47 HG LEU 5 HG LEU 5 9.688 4.818 -0.244
48 HD11 LEU 5 HD11 LEU 5 8.186 6.555 -2.184
49 HD12 LEU 5 HD12 LEU 5 9.628 5.600 -2.529
50 HD13 LEU 5 HD13 LEU 5 9.716 6.963 -1.412
51 HD21 LEU 5 HD21 LEU 5 7.142 6.382 0.177
52 HD22 LEU 5 HD22 LEU 5 8.732 6.839 0.783
53 HD23 LEU 5 HD23 LEU 5 7.961 5.367 1.370
54 H LYS 6 HN LYS 6 7.852 0.821 -0.977
55 HA LYS 6 HA LYS 6 5.417 0.238 -2.284
56 HB2 LYS 6 HB2 LYS 6 7.425 -1.681 -1.086
57 HB3 LYS 6 HB1 LYS 6 6.163 -2.114 -2.223
58 HG2 LYS 6 HG2 LYS 6 8.496 -0.294 -2.785
59 HG3 LYS 6 HG1 LYS 6 8.356 -1.981 -3.281
60 HD2 LYS 6 HD2 LYS 6 6.317 -1.369 -4.560
61 HD3 LYS 6 HD1 LYS 6 6.613 0.317 -4.146
62 HE2 LYS 6 HE2 LYS 6 7.495 -0.102 -6.355
63 HE3 LYS 6 HE1 LYS 6 8.828 0.152 -5.234
64 HZ1 LYS 6 HZ1 LYS 6 7.864 -2.513 -6.126
65 HZ2 LYS 6 HZ2 LYS 6 9.217 -2.197 -5.150
66 HZ3 LYS 6 HZ3 LYS 6 9.205 -1.698 -6.744
67 H ARG 7 HN ARG 7 6.665 -0.507 0.897
68 HA ARG 7 HA ARG 7 4.468 -2.069 1.813
69 HB2 ARG 7 HB2 ARG 7 6.522 -0.540 3.425
70 HB3 ARG 7 HB1 ARG 7 5.484 -1.820 4.030
71 HG2 ARG 7 HG2 ARG 7 7.587 -2.165 1.895
72 HG3 ARG 7 HG1 ARG 7 7.805 -2.561 3.596
73 HD2 ARG 7 HD2 ARG 7 5.764 -3.811 1.742
74 HD3 ARG 7 HD1 ARG 7 7.284 -4.549 2.242
75 HE ARG 7 HE ARG 7 5.681 -3.762 4.451
76 HH11 ARG 7 HH11 ARG 7 6.136 -6.380 2.089
77 HH12 ARG 7 HH12 ARG 7 5.435 -7.565 3.084
78 HH21 ARG 7 HH21 ARG 7 4.703 -5.410 5.793
79 HH22 ARG 7 HH22 ARG 7 4.605 -7.009 5.214
80 H LEU 8 HN LEU 8 5.299 1.315 1.971
81 HA LEU 8 HA LEU 8 3.192 2.157 3.676
82 HB2 LEU 8 HB2 LEU 8 5.227 3.491 3.247
83 HB3 LEU 8 HB1 LEU 8 4.753 3.670 1.575
84 HG LEU 8 HG LEU 8 2.790 4.996 2.298
85 HD11 LEU 8 HD11 LEU 8 4.027 4.787 5.038
86 HD12 LEU 8 HD12 LEU 8 2.505 4.058 4.525
87 HD13 LEU 8 HD13 LEU 8 2.664 5.813 4.589
88 HD21 LEU 8 HD21 LEU 8 4.046 6.998 2.920
89 HD22 LEU 8 HD22 LEU 8 4.869 6.099 1.645
90 HD23 LEU 8 HD23 LEU 8 5.447 6.002 3.308
91 H GLY 9 HN GLY 9 3.649 2.244 0.168
92 HA2 GLY 9 HA2 GLY 9 1.189 3.356 -0.531
93 HA3 GLY 9 HA1 GLY 9 2.223 2.407 -1.585
94 H LYS 10 HN LYS 10 2.124 -0.001 -0.068
95 HA LYS 10 HA LYS 10 -0.111 -1.238 -1.139
96 HB2 LYS 10 HB2 LYS 10 1.916 -2.440 -0.412
97 HB3 LYS 10 HB1 LYS 10 1.498 -2.124 1.264
98 HG2 LYS 10 HG2 LYS 10 -0.503 -3.483 1.049
99 HG3 LYS 10 HG1 LYS 10 -0.155 -3.748 -0.660
100 HD2 LYS 10 HD2 LYS 10 1.930 -4.880 -0.054
101 HD3 LYS 10 HD1 LYS 10 1.570 -4.628 1.656
102 HE2 LYS 10 HE2 LYS 10 -0.448 -5.969 1.439
103 HE3 LYS 10 HE1 LYS 10 -0.136 -6.190 -0.280
104 HZ1 LYS 10 HZ1 LYS 10 1.882 -7.405 0.271
105 HZ2 LYS 10 HZ2 LYS 10 0.556 -8.098 1.074
106 HZ3 LYS 10 HZ3 LYS 10 1.622 -7.129 1.914
107 H LYS 11 HN LYS 11 0.362 -0.002 2.159
108 HA LYS 11 HA LYS 11 -2.214 -0.854 3.039
109 HB2 LYS 11 HB2 LYS 11 -0.281 1.134 4.227
110 HB3 LYS 11 HB1 LYS 11 -1.802 0.695 4.992
111 HG2 LYS 11 HG2 LYS 11 -1.048 -1.656 5.064
112 HG3 LYS 11 HG1 LYS 11 0.506 -1.151 4.399
113 HD2 LYS 11 HD2 LYS 11 -0.668 -0.105 6.978
114 HD3 LYS 11 HD1 LYS 11 0.469 -1.445 6.890
115 HE2 LYS 11 HE2 LYS 11 1.004 1.365 5.915
116 HE3 LYS 11 HE1 LYS 11 1.546 0.701 7.455
117 HZ1 LYS 11 HZ1 LYS 11 2.796 -0.977 6.196
118 HZ2 LYS 11 HZ2 LYS 11 3.305 0.578 5.915
119 HZ3 LYS 11 HZ3 LYS 11 2.383 -0.214 4.744
120 H ILE 12 HN ILE 12 -0.950 2.118 1.726
121 HA ILE 12 HA ILE 12 -3.271 3.659 2.177
122 HB ILE 12 HB ILE 12 -1.093 4.052 0.096
123 HG12 ILE 12 HG12 ILE 12 -1.461 5.294 2.837
124 HG13 ILE 12 HG11 ILE 12 -0.285 4.052 2.434
125 HG21 ILE 12 HG21 ILE 12 -1.863 6.395 0.017
126 HG22 ILE 12 HG22 ILE 12 -3.196 5.984 1.095
127 HG23 ILE 12 HG23 ILE 12 -3.115 5.272 -0.517
128 HD11 ILE 12 HD11 ILE 12 0.746 6.248 2.560
129 HD12 ILE 12 HD12 ILE 12 -0.357 6.852 1.324
130 HD13 ILE 12 HD13 ILE 12 0.831 5.613 0.916
131 H ARG 13 HN ARG 13 -2.166 1.821 -0.671
132 HA ARG 13 HA ARG 13 -4.469 2.554 -2.173
133 HB2 ARG 13 HB2 ARG 13 -3.700 1.130 -3.921
134 HB3 ARG 13 HB1 ARG 13 -2.288 1.886 -3.219
135 HG2 ARG 13 HG2 ARG 13 -1.723 -0.138 -2.043
136 HG3 ARG 13 HG1 ARG 13 -3.205 -0.913 -2.601
137 HD2 ARG 13 HD2 ARG 13 -0.891 0.013 -4.307
138 HD3 ARG 13 HD1 ARG 13 -1.338 -1.656 -3.958
139 HE ARG 13 HE ARG 13 -3.295 0.044 -5.320
140 HH11 ARG 13 HH11 ARG 13 -1.110 -2.733 -5.519
141 HH12 ARG 13 HH12 ARG 13 -1.628 -3.172 -7.082
142 HH21 ARG 13 HH21 ARG 13 -3.967 -0.551 -7.418
143 HH22 ARG 13 HH22 ARG 13 -3.295 -1.911 -8.206
144 H LEU 14 HN LEU 14 -3.755 -0.075 -0.004
145 HA LEU 14 HA LEU 14 -5.922 -1.722 -0.759
146 HB2 LEU 14 HB2 LEU 14 -4.014 -2.496 0.617
147 HB3 LEU 14 HB1 LEU 14 -4.566 -1.477 1.929
148 HG LEU 14 HG LEU 14 -6.645 -2.822 2.057
149 HD11 LEU 14 HD11 LEU 14 -5.258 -4.577 0.052
150 HD12 LEU 14 HD12 LEU 14 -6.707 -3.612 -0.233
151 HD13 LEU 14 HD13 LEU 14 -6.753 -4.954 0.908
152 HD21 LEU 14 HD21 LEU 14 -4.092 -4.399 2.289
153 HD22 LEU 14 HD22 LEU 14 -5.623 -4.775 3.080
154 HD23 LEU 14 HD23 LEU 14 -4.748 -3.305 3.507
155 H ALA 15 HN ALA 15 -5.525 0.884 1.559
156 HA ALA 15 HA ALA 15 -8.160 0.761 2.613
157 HB1 ALA 15 HB1 ALA 15 -6.298 1.821 3.816
158 HB2 ALA 15 HB2 ALA 15 -7.645 2.938 3.596
159 HB3 ALA 15 HB3 ALA 15 -6.213 3.070 2.574
160 H ALA 16 HN ALA 16 -6.673 2.283 -0.112
161 HA ALA 16 HA ALA 16 -8.767 4.070 -0.756
162 HB1 ALA 16 HB1 ALA 16 -6.710 2.865 -2.596
163 HB2 ALA 16 HB2 ALA 16 -6.475 4.303 -1.611
164 HB3 ALA 16 HB3 ALA 16 -7.673 4.311 -2.910
165 H ALA 17 HN ALA 17 -7.976 0.801 -1.799
166 HA ALA 17 HA ALA 17 -10.176 0.576 -3.602
167 HB1 ALA 17 HB1 ALA 17 -8.125 -0.723 -3.899
168 HB2 ALA 17 HB2 ALA 17 -9.534 -1.775 -3.765
169 HB3 ALA 17 HB3 ALA 17 -8.445 -1.579 -2.391
170 H PHE 18 HN PHE 18 -9.737 0.107 -0.241
171 HA PHE 18 HA PHE 18 -11.633 -1.780 0.448
172 HB2 PHE 18 HB2 PHE 18 -9.985 -0.759 2.012
173 HB3 PHE 18 HB1 PHE 18 -10.937 0.717 2.013
174 HD1 PHE 18 HD1 PHE 18 -12.967 0.881 3.313
175 HD2 PHE 18 HD2 PHE 18 -10.817 -2.788 3.082
176 HE1 PHE 18 HE1 PHE 18 -14.287 -0.009 5.180
177 HE2 PHE 18 HE2 PHE 18 -12.138 -3.681 4.948
178 HZ PHE 18 HZ PHE 18 -13.875 -2.296 5.999
179 H LYS 19 HN LYS 19 -12.150 1.758 0.267
180 HA LYS 19 HA LYS 19 -14.955 1.201 0.361
181 HB2 LYS 19 HB2 LYS 19 -15.354 3.489 0.803
182 HB3 LYS 19 HB1 LYS 19 -13.981 3.059 1.791
183 HG2 LYS 19 HG2 LYS 19 -13.860 4.592 -0.805
184 HG3 LYS 19 HG1 LYS 19 -13.828 5.314 0.795
185 HD2 LYS 19 HD2 LYS 19 -11.706 4.271 1.262
186 HD3 LYS 19 HD1 LYS 19 -11.787 3.361 -0.249
187 HE2 LYS 19 HE2 LYS 19 -11.697 6.363 -0.054
188 HE3 LYS 19 HE1 LYS 19 -10.314 5.335 -0.419
189 HZ1 LYS 19 HZ1 LYS 19 -11.273 6.191 -2.456
190 HZ2 LYS 19 HZ2 LYS 19 -12.783 5.642 -2.027
191 HZ3 LYS 19 HZ3 LYS 19 -11.566 4.519 -2.384
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 14.531 4.428 2.664
2 H3 PRO 1 HT2 PRO 1 15.103 4.610 1.124
3 HA PRO 1 HA PRO 1 15.600 2.296 0.915
4 HB2 PRO 1 HB2 PRO 1 13.808 1.231 2.755
5 HB3 PRO 1 HB1 PRO 1 15.569 1.120 2.841
6 HG2 PRO 1 HG2 PRO 1 13.732 3.047 4.191
7 HG3 PRO 1 HG1 PRO 1 15.230 2.327 4.800
8 HD2 PRO 1 HD2 PRO 1 15.192 4.848 4.022
9 HD3 PRO 1 HD1 PRO 1 16.561 3.805 3.678
10 H MET 2 HN MET 2 14.475 2.446 -0.899
11 HA MET 2 HA MET 2 11.958 3.599 -1.260
12 HB2 MET 2 HB2 MET 2 13.447 1.627 -2.973
13 HB3 MET 2 HB1 MET 2 11.953 2.411 -3.464
14 HG2 MET 2 HG2 MET 2 14.520 3.802 -2.763
15 HG3 MET 2 HG1 MET 2 13.905 3.519 -4.393
16 HE1 MET 2 HE1 MET 2 14.246 6.089 -4.837
17 HE2 MET 2 HE2 MET 2 14.751 6.396 -3.173
18 HE3 MET 2 HE3 MET 2 13.484 7.375 -3.903
19 H LYS 3 HN LYS 3 12.812 0.334 -0.455
20 HA LYS 3 HA LYS 3 10.411 -0.899 -1.185
21 HB2 LYS 3 HB2 LYS 3 11.063 -2.760 0.281
22 HB3 LYS 3 HB1 LYS 3 12.389 -2.205 -0.718
23 HG2 LYS 3 HG2 LYS 3 13.326 -1.002 1.212
24 HG3 LYS 3 HG1 LYS 3 12.001 -1.609 2.205
25 HD2 LYS 3 HD2 LYS 3 12.698 -3.909 1.758
26 HD3 LYS 3 HD1 LYS 3 14.003 -3.321 0.732
27 HE2 LYS 3 HE2 LYS 3 14.989 -2.175 2.669
28 HE3 LYS 3 HE1 LYS 3 13.685 -2.793 3.682
29 HZ1 LYS 3 HZ1 LYS 3 15.697 -4.436 2.244
30 HZ2 LYS 3 HZ2 LYS 3 14.452 -5.049 3.208
31 HZ3 LYS 3 HZ3 LYS 3 15.676 -4.125 3.895
32 H LEU 4 HN LEU 4 11.135 1.049 1.597
33 HA LEU 4 HA LEU 4 8.902 0.086 3.114
34 HB2 LEU 4 HB2 LEU 4 10.491 2.619 3.472
35 HB3 LEU 4 HB1 LEU 4 9.348 1.964 4.627
36 HG LEU 4 HG LEU 4 12.016 0.807 3.836
37 HD11 LEU 4 HD11 LEU 4 12.588 1.155 6.158
38 HD12 LEU 4 HD12 LEU 4 10.980 1.795 6.474
39 HD13 LEU 4 HD13 LEU 4 12.079 2.672 5.413
40 HD21 LEU 4 HD21 LEU 4 10.432 -1.024 4.115
41 HD22 LEU 4 HD22 LEU 4 9.925 -0.368 5.671
42 HD23 LEU 4 HD23 LEU 4 11.568 -0.975 5.461
43 H LEU 5 HN LEU 5 9.486 2.663 0.861
44 HA LEU 5 HA LEU 5 6.996 3.985 1.265
45 HB2 LEU 5 HB2 LEU 5 8.915 4.020 -1.066
46 HB3 LEU 5 HB1 LEU 5 7.432 4.942 -1.061
47 HG LEU 5 HG LEU 5 9.229 6.411 -0.578
48 HD11 LEU 5 HD11 LEU 5 7.729 5.848 1.957
49 HD12 LEU 5 HD12 LEU 5 7.216 6.882 0.624
50 HD13 LEU 5 HD13 LEU 5 8.624 7.321 1.590
51 HD21 LEU 5 HD21 LEU 5 10.913 4.842 0.177
52 HD22 LEU 5 HD22 LEU 5 10.006 4.547 1.659
53 HD23 LEU 5 HD23 LEU 5 10.720 6.132 1.365
54 H LYS 6 HN LYS 6 8.076 1.296 -0.628
55 HA LYS 6 HA LYS 6 5.679 1.135 -2.150
56 HB2 LYS 6 HB2 LYS 6 7.879 -0.885 -1.745
57 HB3 LYS 6 HB1 LYS 6 6.515 -1.123 -2.832
58 HG2 LYS 6 HG2 LYS 6 8.610 1.038 -3.031
59 HG3 LYS 6 HG1 LYS 6 8.438 -0.371 -4.084
60 HD2 LYS 6 HD2 LYS 6 6.228 0.445 -4.803
61 HD3 LYS 6 HD1 LYS 6 6.412 1.843 -3.748
62 HE2 LYS 6 HE2 LYS 6 8.379 2.530 -5.042
63 HE3 LYS 6 HE1 LYS 6 8.101 1.175 -6.138
64 HZ1 LYS 6 HZ1 LYS 6 7.116 3.197 -7.029
65 HZ2 LYS 6 HZ2 LYS 6 6.214 3.408 -5.622
66 HZ3 LYS 6 HZ3 LYS 6 5.916 2.087 -6.619
67 H ARG 7 HN ARG 7 6.648 -0.150 0.926
68 HA ARG 7 HA ARG 7 4.469 -1.947 1.212
69 HB2 ARG 7 HB2 ARG 7 5.735 -0.286 3.400
70 HB3 ARG 7 HB1 ARG 7 4.703 -1.681 3.642
71 HG2 ARG 7 HG2 ARG 7 6.441 -3.047 2.472
72 HG3 ARG 7 HG1 ARG 7 7.484 -1.621 2.513
73 HD2 ARG 7 HD2 ARG 7 6.317 -3.107 4.860
74 HD3 ARG 7 HD1 ARG 7 8.014 -2.996 4.404
75 HE ARG 7 HE ARG 7 7.040 -0.410 4.823
76 HH11 ARG 7 HH11 ARG 7 7.754 -3.323 6.715
77 HH12 ARG 7 HH12 ARG 7 8.028 -2.465 8.166
78 HH21 ARG 7 HH21 ARG 7 7.467 0.746 6.835
79 HH22 ARG 7 HH22 ARG 7 7.906 -0.144 8.224
80 H LEU 8 HN LEU 8 4.918 1.438 1.934
81 HA LEU 8 HA LEU 8 2.353 2.020 2.939
82 HB2 LEU 8 HB2 LEU 8 4.339 3.450 3.230
83 HB3 LEU 8 HB1 LEU 8 4.342 3.795 1.517
84 HG LEU 8 HG LEU 8 2.146 4.933 1.792
85 HD11 LEU 8 HD11 LEU 8 1.355 3.807 3.786
86 HD12 LEU 8 HD12 LEU 8 1.421 5.549 4.050
87 HD13 LEU 8 HD13 LEU 8 2.671 4.508 4.727
88 HD21 LEU 8 HD21 LEU 8 3.066 6.927 2.868
89 HD22 LEU 8 HD22 LEU 8 4.223 6.198 1.755
90 HD23 LEU 8 HD23 LEU 8 4.408 5.970 3.494
91 H GLY 9 HN GLY 9 3.709 1.900 -0.274
92 HA2 GLY 9 HA2 GLY 9 1.604 3.065 -1.729
93 HA3 GLY 9 HA1 GLY 9 2.795 1.940 -2.372
94 H LYS 10 HN LYS 10 2.264 -0.250 -0.802
95 HA LYS 10 HA LYS 10 -0.012 -1.372 -2.059
96 HB2 LYS 10 HB2 LYS 10 1.604 -2.302 0.311
97 HB3 LYS 10 HB1 LYS 10 0.350 -3.263 -0.450
98 HG2 LYS 10 HG2 LYS 10 2.842 -2.275 -1.827
99 HG3 LYS 10 HG1 LYS 10 2.641 -3.884 -1.143
100 HD2 LYS 10 HD2 LYS 10 0.998 -2.691 -3.390
101 HD3 LYS 10 HD1 LYS 10 2.274 -3.886 -3.572
102 HE2 LYS 10 HE2 LYS 10 -0.359 -4.266 -2.125
103 HE3 LYS 10 HE1 LYS 10 0.114 -4.969 -3.665
104 HZ1 LYS 10 HZ1 LYS 10 1.864 -6.206 -2.504
105 HZ2 LYS 10 HZ2 LYS 10 0.330 -6.560 -1.915
106 HZ3 LYS 10 HZ3 LYS 10 1.345 -5.571 -1.025
107 H LYS 11 HN LYS 11 0.609 -0.070 1.137
108 HA LYS 11 HA LYS 11 -1.855 -0.801 2.257
109 HB2 LYS 11 HB2 LYS 11 -0.007 1.439 3.079
110 HB3 LYS 11 HB1 LYS 11 -1.380 0.877 4.020
111 HG2 LYS 11 HG2 LYS 11 1.090 -0.701 3.319
112 HG3 LYS 11 HG1 LYS 11 0.643 -0.075 4.907
113 HD2 LYS 11 HD2 LYS 11 -1.327 -1.522 4.928
114 HD3 LYS 11 HD1 LYS 11 -0.900 -2.125 3.328
115 HE2 LYS 11 HE2 LYS 11 1.207 -2.989 4.234
116 HE3 LYS 11 HE1 LYS 11 0.722 -2.449 5.840
117 HZ1 LYS 11 HZ1 LYS 11 -1.207 -3.922 5.685
118 HZ2 LYS 11 HZ2 LYS 11 0.237 -4.781 5.519
119 HZ3 LYS 11 HZ3 LYS 11 -0.693 -4.445 4.166
120 H ILE 12 HN ILE 12 -0.892 2.287 0.772
121 HA ILE 12 HA ILE 12 -3.389 3.472 1.226
122 HB ILE 12 HB ILE 12 -1.423 4.827 0.576
123 HG12 ILE 12 HG12 ILE 12 -3.743 5.156 -1.347
124 HG13 ILE 12 HG11 ILE 12 -3.683 5.774 0.297
125 HG21 ILE 12 HG21 ILE 12 -0.701 5.001 -1.758
126 HG22 ILE 12 HG22 ILE 12 -1.783 3.672 -2.175
127 HG23 ILE 12 HG23 ILE 12 -0.426 3.392 -1.085
128 HD11 ILE 12 HD11 ILE 12 -1.896 6.619 -1.978
129 HD12 ILE 12 HD12 ILE 12 -1.836 7.251 -0.333
130 HD13 ILE 12 HD13 ILE 12 -3.262 7.528 -1.333
131 H ARG 13 HN ARG 13 -2.282 1.446 -1.366
132 HA ARG 13 HA ARG 13 -4.504 1.699 -3.082
133 HB2 ARG 13 HB2 ARG 13 -2.630 -0.639 -2.695
134 HB3 ARG 13 HB1 ARG 13 -3.874 -0.599 -3.934
135 HG2 ARG 13 HG2 ARG 13 -2.823 1.350 -4.945
136 HG3 ARG 13 HG1 ARG 13 -1.603 1.358 -3.676
137 HD2 ARG 13 HD2 ARG 13 -0.762 0.330 -5.745
138 HD3 ARG 13 HD1 ARG 13 -0.783 -0.815 -4.405
139 HE ARG 13 HE ARG 13 -3.167 -1.187 -5.670
140 HH11 ARG 13 HH11 ARG 13 0.204 -1.320 -6.789
141 HH12 ARG 13 HH12 ARG 13 -0.089 -2.546 -7.931
142 HH21 ARG 13 HH21 ARG 13 -3.547 -2.879 -7.223
143 HH22 ARG 13 HH22 ARG 13 -2.274 -3.452 -8.193
144 H LEU 14 HN LEU 14 -3.884 -0.794 -0.622
145 HA LEU 14 HA LEU 14 -6.436 -1.989 -0.927
146 HB2 LEU 14 HB2 LEU 14 -4.303 -2.261 1.165
147 HB3 LEU 14 HB1 LEU 14 -5.872 -2.980 1.422
148 HG LEU 14 HG LEU 14 -4.348 -4.659 0.652
149 HD11 LEU 14 HD11 LEU 14 -5.504 -5.523 -1.283
150 HD12 LEU 14 HD12 LEU 14 -6.242 -3.950 -1.561
151 HD13 LEU 14 HD13 LEU 14 -6.630 -4.858 -0.099
152 HD21 LEU 14 HD21 LEU 14 -3.881 -2.955 -1.794
153 HD22 LEU 14 HD22 LEU 14 -3.267 -4.591 -1.545
154 HD23 LEU 14 HD23 LEU 14 -2.712 -3.273 -0.512
155 H ALA 15 HN ALA 15 -5.260 0.540 1.160
156 HA ALA 15 HA ALA 15 -7.569 0.516 2.818
157 HB1 ALA 15 HB1 ALA 15 -5.463 2.639 2.514
158 HB2 ALA 15 HB2 ALA 15 -5.427 1.294 3.656
159 HB3 ALA 15 HB3 ALA 15 -6.666 2.544 3.799
160 H ALA 16 HN ALA 16 -6.621 2.412 -0.039
161 HA ALA 16 HA ALA 16 -8.756 4.243 0.112
162 HB1 ALA 16 HB1 ALA 16 -6.796 4.623 -1.314
163 HB2 ALA 16 HB2 ALA 16 -8.289 4.708 -2.252
164 HB3 ALA 16 HB3 ALA 16 -7.276 3.267 -2.333
165 H ALA 17 HN ALA 17 -8.434 1.062 -1.183
166 HA ALA 17 HA ALA 17 -10.977 1.004 -2.489
167 HB1 ALA 17 HB1 ALA 17 -9.106 -0.372 -3.247
168 HB2 ALA 17 HB2 ALA 17 -10.513 -1.355 -2.839
169 HB3 ALA 17 HB3 ALA 17 -9.146 -1.264 -1.726
170 H PHE 18 HN PHE 18 -9.855 0.472 0.699
171 HA PHE 18 HA PHE 18 -11.914 -1.329 1.515
172 HB2 PHE 18 HB2 PHE 18 -9.662 -1.174 2.606
173 HB3 PHE 18 HB1 PHE 18 -10.146 0.375 3.276
174 HD1 PHE 18 HD1 PHE 18 -10.836 -3.237 3.292
175 HD2 PHE 18 HD2 PHE 18 -11.541 0.496 5.204
176 HE1 PHE 18 HE1 PHE 18 -11.842 -4.404 5.196
177 HE2 PHE 18 HE2 PHE 18 -12.547 -0.677 7.112
178 HZ PHE 18 HZ PHE 18 -12.695 -3.122 7.108
179 H LYS 19 HN LYS 19 -11.381 2.203 2.066
180 HA LYS 19 HA LYS 19 -14.203 2.300 2.526
181 HB2 LYS 19 HB2 LYS 19 -13.821 4.263 3.988
182 HB3 LYS 19 HB1 LYS 19 -13.347 2.736 4.714
183 HG2 LYS 19 HG2 LYS 19 -11.441 4.747 3.491
184 HG3 LYS 19 HG1 LYS 19 -11.884 4.740 5.192
185 HD2 LYS 19 HD2 LYS 19 -10.930 2.515 5.447
186 HD3 LYS 19 HD1 LYS 19 -10.542 2.469 3.725
187 HE2 LYS 19 HE2 LYS 19 -9.449 4.449 5.719
188 HE3 LYS 19 HE1 LYS 19 -8.590 3.031 5.115
189 HZ1 LYS 19 HZ1 LYS 19 -8.746 3.991 2.876
190 HZ2 LYS 19 HZ2 LYS 19 -7.918 5.013 3.909
191 HZ3 LYS 19 HZ3 LYS 19 -9.502 5.348 3.489
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 15.723 2.635 1.140
2 H3 PRO 1 HT2 PRO 1 16.719 1.544 1.784
3 HA PRO 1 HA PRO 1 15.835 0.738 -0.252
4 HB2 PRO 1 HB2 PRO 1 14.074 -1.016 0.944
5 HB3 PRO 1 HB1 PRO 1 15.831 -1.228 0.887
6 HG2 PRO 1 HG2 PRO 1 14.132 -0.120 3.087
7 HG3 PRO 1 HG1 PRO 1 15.559 -1.168 3.193
8 HD2 PRO 1 HD2 PRO 1 15.763 1.408 3.765
9 HD3 PRO 1 HD1 PRO 1 17.026 0.558 2.896
10 H MET 2 HN MET 2 14.189 0.755 -1.723
11 HA MET 2 HA MET 2 12.101 2.639 -1.236
12 HB2 MET 2 HB2 MET 2 13.260 2.402 -3.447
13 HB3 MET 2 HB1 MET 2 12.463 0.848 -3.652
14 HG2 MET 2 HG2 MET 2 10.277 1.996 -3.489
15 HG3 MET 2 HG1 MET 2 11.127 3.531 -3.414
16 HE1 MET 2 HE1 MET 2 8.824 2.935 -5.449
17 HE2 MET 2 HE2 MET 2 9.482 3.605 -6.942
18 HE3 MET 2 HE3 MET 2 9.703 4.465 -5.417
19 H LYS 3 HN LYS 3 12.405 -0.775 -0.939
20 HA LYS 3 HA LYS 3 9.925 -1.846 -1.319
21 HB2 LYS 3 HB2 LYS 3 11.859 -2.359 0.928
22 HB3 LYS 3 HB1 LYS 3 10.399 -3.302 0.724
23 HG2 LYS 3 HG2 LYS 3 12.578 -3.053 -1.346
24 HG3 LYS 3 HG1 LYS 3 12.451 -4.367 -0.180
25 HD2 LYS 3 HD2 LYS 3 10.378 -3.668 -2.273
26 HD3 LYS 3 HD1 LYS 3 11.570 -4.965 -2.400
27 HE2 LYS 3 HE2 LYS 3 10.626 -5.975 -0.365
28 HE3 LYS 3 HE1 LYS 3 9.385 -4.734 -0.339
29 HZ1 LYS 3 HZ1 LYS 3 9.786 -6.725 -2.502
30 HZ2 LYS 3 HZ2 LYS 3 8.606 -5.523 -2.515
31 HZ3 LYS 3 HZ3 LYS 3 8.552 -6.750 -1.363
32 H LEU 4 HN LEU 4 10.927 -0.097 1.619
33 HA LEU 4 HA LEU 4 8.381 -0.435 2.791
34 HB2 LEU 4 HB2 LEU 4 9.165 1.144 4.556
35 HB3 LEU 4 HB1 LEU 4 10.174 -0.257 4.318
36 HG LEU 4 HG LEU 4 11.693 1.312 2.943
37 HD11 LEU 4 HD11 LEU 4 10.138 3.164 2.708
38 HD12 LEU 4 HD12 LEU 4 11.613 3.665 3.533
39 HD13 LEU 4 HD13 LEU 4 10.136 3.396 4.456
40 HD21 LEU 4 HD21 LEU 4 12.290 0.403 5.109
41 HD22 LEU 4 HD22 LEU 4 11.387 1.684 5.914
42 HD23 LEU 4 HD23 LEU 4 12.827 2.075 4.972
43 H LEU 5 HN LEU 5 9.676 1.992 0.737
44 HA LEU 5 HA LEU 5 7.658 3.948 1.238
45 HB2 LEU 5 HB2 LEU 5 9.424 3.538 -1.181
46 HB3 LEU 5 HB1 LEU 5 8.412 4.938 -0.914
47 HG LEU 5 HG LEU 5 10.758 4.135 0.813
48 HD11 LEU 5 HD11 LEU 5 11.861 6.080 -0.165
49 HD12 LEU 5 HD12 LEU 5 10.473 6.333 -1.225
50 HD13 LEU 5 HD13 LEU 5 11.458 4.882 -1.395
51 HD21 LEU 5 HD21 LEU 5 9.002 6.593 0.857
52 HD22 LEU 5 HD22 LEU 5 10.464 6.364 1.813
53 HD23 LEU 5 HD23 LEU 5 9.061 5.333 2.092
54 H LYS 6 HN LYS 6 8.115 1.357 -1.087
55 HA LYS 6 HA LYS 6 5.700 1.765 -2.511
56 HB2 LYS 6 HB2 LYS 6 7.301 -0.776 -2.141
57 HB3 LYS 6 HB1 LYS 6 5.973 -0.584 -3.272
58 HG2 LYS 6 HG2 LYS 6 7.279 1.173 -4.427
59 HG3 LYS 6 HG1 LYS 6 8.618 0.828 -3.326
60 HD2 LYS 6 HD2 LYS 6 8.691 -1.480 -4.116
61 HD3 LYS 6 HD1 LYS 6 7.328 -1.163 -5.193
62 HE2 LYS 6 HE2 LYS 6 8.695 0.531 -6.360
63 HE3 LYS 6 HE1 LYS 6 10.054 0.122 -5.317
64 HZ1 LYS 6 HZ1 LYS 6 10.212 -0.985 -7.435
65 HZ2 LYS 6 HZ2 LYS 6 8.699 -1.714 -7.209
66 HZ3 LYS 6 HZ3 LYS 6 9.998 -2.125 -6.215
67 H ARG 7 HN ARG 7 6.573 -0.075 0.329
68 HA ARG 7 HA ARG 7 4.170 -1.471 0.656
69 HB2 ARG 7 HB2 ARG 7 6.140 -2.156 1.832
70 HB3 ARG 7 HB1 ARG 7 6.204 -0.625 2.694
71 HG2 ARG 7 HG2 ARG 7 4.199 -1.140 3.888
72 HG3 ARG 7 HG1 ARG 7 3.958 -2.604 2.939
73 HD2 ARG 7 HD2 ARG 7 4.917 -2.941 5.222
74 HD3 ARG 7 HD1 ARG 7 5.840 -3.643 3.892
75 HE ARG 7 HE ARG 7 7.421 -2.059 4.109
76 HH11 ARG 7 HH11 ARG 7 4.829 -1.342 6.406
77 HH12 ARG 7 HH12 ARG 7 5.832 -0.583 7.554
78 HH21 ARG 7 HH21 ARG 7 8.827 -1.016 5.734
79 HH22 ARG 7 HH22 ARG 7 8.148 -0.383 7.162
80 H LEU 8 HN LEU 8 5.186 1.704 1.790
81 HA LEU 8 HA LEU 8 2.933 2.316 3.349
82 HB2 LEU 8 HB2 LEU 8 4.706 4.150 1.737
83 HB3 LEU 8 HB1 LEU 8 3.535 4.693 2.917
84 HG LEU 8 HG LEU 8 5.956 2.997 3.527
85 HD11 LEU 8 HD11 LEU 8 6.576 5.245 2.861
86 HD12 LEU 8 HD12 LEU 8 6.825 5.016 4.594
87 HD13 LEU 8 HD13 LEU 8 5.422 5.916 4.011
88 HD21 LEU 8 HD21 LEU 8 4.134 2.578 5.087
89 HD22 LEU 8 HD22 LEU 8 3.928 4.308 5.337
90 HD23 LEU 8 HD23 LEU 8 5.407 3.511 5.874
91 H GLY 9 HN GLY 9 3.637 3.079 -0.049
92 HA2 GLY 9 HA2 GLY 9 1.168 4.290 -0.643
93 HA3 GLY 9 HA1 GLY 9 2.262 3.568 -1.817
94 H LYS 10 HN LYS 10 2.234 0.974 -0.786
95 HA LYS 10 HA LYS 10 0.037 -0.176 -2.078
96 HB2 LYS 10 HB2 LYS 10 2.283 -1.227 -1.556
97 HB3 LYS 10 HB1 LYS 10 1.702 -1.456 0.083
98 HG2 LYS 10 HG2 LYS 10 1.455 -3.510 -1.108
99 HG3 LYS 10 HG1 LYS 10 -0.153 -2.828 -0.835
100 HD2 LYS 10 HD2 LYS 10 -0.246 -2.004 -3.087
101 HD3 LYS 10 HD1 LYS 10 1.423 -2.490 -3.377
102 HE2 LYS 10 HE2 LYS 10 -0.037 -4.071 -4.388
103 HE3 LYS 10 HE1 LYS 10 0.757 -4.832 -3.017
104 HZ1 LYS 10 HZ1 LYS 10 -1.594 -5.378 -3.148
105 HZ2 LYS 10 HZ2 LYS 10 -2.017 -3.760 -3.005
106 HZ3 LYS 10 HZ3 LYS 10 -1.268 -4.557 -1.714
107 H LYS 11 HN LYS 11 0.664 0.526 1.324
108 HA LYS 11 HA LYS 11 -1.636 -0.744 2.395
109 HB2 LYS 11 HB2 LYS 11 0.364 -0.073 3.740
110 HB3 LYS 11 HB1 LYS 11 -0.101 1.604 3.513
111 HG2 LYS 11 HG2 LYS 11 -2.252 1.102 4.669
112 HG3 LYS 11 HG1 LYS 11 -1.637 -0.512 5.009
113 HD2 LYS 11 HD2 LYS 11 -1.294 0.878 6.948
114 HD3 LYS 11 HD1 LYS 11 0.274 0.528 6.223
115 HE2 LYS 11 HE2 LYS 11 0.291 2.714 5.154
116 HE3 LYS 11 HE1 LYS 11 -1.313 3.062 5.792
117 HZ1 LYS 11 HZ1 LYS 11 1.168 2.662 7.364
118 HZ2 LYS 11 HZ2 LYS 11 -0.342 2.907 8.040
119 HZ3 LYS 11 HZ3 LYS 11 0.375 4.123 7.100
120 H ILE 12 HN ILE 12 -0.937 2.519 1.289
121 HA ILE 12 HA ILE 12 -3.401 3.701 2.040
122 HB ILE 12 HB ILE 12 -1.558 4.526 -0.238
123 HG12 ILE 12 HG12 ILE 12 -0.289 4.417 1.840
124 HG13 ILE 12 HG11 ILE 12 -0.525 6.090 1.360
125 HG21 ILE 12 HG21 ILE 12 -2.480 6.774 0.056
126 HG22 ILE 12 HG22 ILE 12 -3.559 6.172 1.308
127 HG23 ILE 12 HG23 ILE 12 -3.744 5.613 -0.354
128 HD11 ILE 12 HD11 ILE 12 -2.043 4.629 3.516
129 HD12 ILE 12 HD12 ILE 12 -2.302 6.304 3.028
130 HD13 ILE 12 HD13 ILE 12 -0.768 5.827 3.755
131 H ARG 13 HN ARG 13 -2.318 1.998 -0.819
132 HA ARG 13 HA ARG 13 -4.733 2.409 -2.282
133 HB2 ARG 13 HB2 ARG 13 -2.568 0.347 -2.681
134 HB3 ARG 13 HB1 ARG 13 -3.899 0.622 -3.789
135 HG2 ARG 13 HG2 ARG 13 -3.086 2.946 -4.110
136 HG3 ARG 13 HG1 ARG 13 -1.692 2.543 -3.102
137 HD2 ARG 13 HD2 ARG 13 -1.131 2.324 -5.452
138 HD3 ARG 13 HD1 ARG 13 -1.098 0.750 -4.659
139 HE ARG 13 HE ARG 13 -3.627 1.337 -5.844
140 HH11 ARG 13 HH11 ARG 13 -0.420 0.030 -6.517
141 HH12 ARG 13 HH12 ARG 13 -0.919 -0.828 -7.895
142 HH21 ARG 13 HH21 ARG 13 -4.300 0.151 -7.693
143 HH22 ARG 13 HH22 ARG 13 -3.179 -0.762 -8.599
144 H LEU 14 HN LEU 14 -3.610 -0.025 -0.059
145 HA LEU 14 HA LEU 14 -5.728 -1.856 -0.511
146 HB2 LEU 14 HB2 LEU 14 -3.649 -2.532 0.592
147 HB3 LEU 14 HB1 LEU 14 -3.974 -1.442 1.919
148 HG LEU 14 HG LEU 14 -5.915 -2.821 2.564
149 HD11 LEU 14 HD11 LEU 14 -6.243 -5.024 1.558
150 HD12 LEU 14 HD12 LEU 14 -5.016 -4.654 0.347
151 HD13 LEU 14 HD13 LEU 14 -6.518 -3.728 0.396
152 HD21 LEU 14 HD21 LEU 14 -3.742 -3.241 3.580
153 HD22 LEU 14 HD22 LEU 14 -3.343 -4.366 2.280
154 HD23 LEU 14 HD23 LEU 14 -4.654 -4.739 3.397
155 H ALA 15 HN ALA 15 -5.305 0.922 1.545
156 HA ALA 15 HA ALA 15 -7.699 0.681 3.020
157 HB1 ALA 15 HB1 ALA 15 -7.392 3.048 3.557
158 HB2 ALA 15 HB2 ALA 15 -6.188 3.190 2.274
159 HB3 ALA 15 HB3 ALA 15 -5.860 2.182 3.684
160 H ALA 16 HN ALA 16 -6.918 2.482 0.072
161 HA ALA 16 HA ALA 16 -9.510 3.515 -0.341
162 HB1 ALA 16 HB1 ALA 16 -8.745 4.081 -2.578
163 HB2 ALA 16 HB2 ALA 16 -7.343 3.030 -2.365
164 HB3 ALA 16 HB3 ALA 16 -7.525 4.469 -1.364
165 H ALA 17 HN ALA 17 -8.022 0.504 -1.276
166 HA ALA 17 HA ALA 17 -9.962 -0.327 -3.157
167 HB1 ALA 17 HB1 ALA 17 -8.202 -2.031 -1.400
168 HB2 ALA 17 HB2 ALA 17 -7.749 -1.354 -2.960
169 HB3 ALA 17 HB3 ALA 17 -9.035 -2.556 -2.864
170 H PHE 18 HN PHE 18 -9.892 -0.292 0.278
171 HA PHE 18 HA PHE 18 -12.037 -2.188 0.590
172 HB2 PHE 18 HB2 PHE 18 -10.106 -1.854 2.213
173 HB3 PHE 18 HB1 PHE 18 -10.870 -0.343 2.681
174 HD1 PHE 18 HD1 PHE 18 -11.749 -3.942 2.271
175 HD2 PHE 18 HD2 PHE 18 -12.190 -0.392 4.558
176 HE1 PHE 18 HE1 PHE 18 -13.068 -5.187 3.931
177 HE2 PHE 18 HE2 PHE 18 -13.518 -1.632 6.225
178 HZ PHE 18 HZ PHE 18 -13.958 -4.024 5.912
179 H LYS 19 HN LYS 19 -11.697 1.121 -0.025
180 HA LYS 19 HA LYS 19 -14.377 1.809 0.871
181 HB2 LYS 19 HB2 LYS 19 -12.049 3.397 -0.176
182 HB3 LYS 19 HB1 LYS 19 -13.660 4.064 -0.309
183 HG2 LYS 19 HG2 LYS 19 -12.533 4.931 1.652
184 HG3 LYS 19 HG1 LYS 19 -13.913 3.939 2.113
185 HD2 LYS 19 HD2 LYS 19 -12.392 2.081 2.608
186 HD3 LYS 19 HD1 LYS 19 -11.021 3.097 2.166
187 HE2 LYS 19 HE2 LYS 19 -11.370 3.011 4.601
188 HE3 LYS 19 HE1 LYS 19 -11.535 4.639 3.953
189 HZ1 LYS 19 HZ1 LYS 19 -13.793 2.824 4.571
190 HZ2 LYS 19 HZ2 LYS 19 -13.938 4.441 4.093
191 HZ3 LYS 19 HZ3 LYS 19 -13.264 4.055 5.581
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 14.080 5.272 0.237
2 H3 PRO 1 HT2 PRO 1 14.913 5.211 1.610
3 HA PRO 1 HA PRO 1 14.644 3.053 0.726
4 HB2 PRO 1 HB2 PRO 1 12.721 2.289 2.553
5 HB3 PRO 1 HB1 PRO 1 14.445 2.495 2.906
6 HG2 PRO 1 HG2 PRO 1 12.185 4.400 3.351
7 HG3 PRO 1 HG1 PRO 1 13.597 4.091 4.372
8 HD2 PRO 1 HD2 PRO 1 13.489 6.289 2.883
9 HD3 PRO 1 HD1 PRO 1 14.981 5.396 3.107
10 H MET 2 HN MET 2 13.762 2.736 -1.223
11 HA MET 2 HA MET 2 11.149 3.448 -1.974
12 HB2 MET 2 HB2 MET 2 13.071 3.195 -3.537
13 HB3 MET 2 HB1 MET 2 12.987 1.457 -3.311
14 HG2 MET 2 HG2 MET 2 11.907 2.087 -5.380
15 HG3 MET 2 HG1 MET 2 10.718 1.452 -4.245
16 HE1 MET 2 HE1 MET 2 8.687 4.177 -6.209
17 HE2 MET 2 HE2 MET 2 8.759 2.482 -5.723
18 HE3 MET 2 HE3 MET 2 9.947 3.127 -6.857
19 H LYS 3 HN LYS 3 12.540 0.490 -0.726
20 HA LYS 3 HA LYS 3 10.465 -1.324 -1.227
21 HB2 LYS 3 HB2 LYS 3 12.215 -1.137 1.220
22 HB3 LYS 3 HB1 LYS 3 11.254 -2.540 0.787
23 HG2 LYS 3 HG2 LYS 3 12.595 -2.860 -1.213
24 HG3 LYS 3 HG1 LYS 3 13.543 -1.426 -0.834
25 HD2 LYS 3 HD2 LYS 3 13.364 -3.943 0.836
26 HD3 LYS 3 HD1 LYS 3 14.730 -3.466 -0.171
27 HE2 LYS 3 HE2 LYS 3 15.016 -1.442 1.233
28 HE3 LYS 3 HE1 LYS 3 13.689 -1.985 2.251
29 HZ1 LYS 3 HZ1 LYS 3 14.968 -3.975 2.748
30 HZ2 LYS 3 HZ2 LYS 3 15.726 -2.571 3.260
31 HZ3 LYS 3 HZ3 LYS 3 16.276 -3.374 1.862
32 H LEU 4 HN LEU 4 10.985 0.829 1.507
33 HA LEU 4 HA LEU 4 8.597 0.063 2.853
34 HB2 LEU 4 HB2 LEU 4 10.398 2.436 3.305
35 HB3 LEU 4 HB1 LEU 4 9.130 1.907 4.390
36 HG LEU 4 HG LEU 4 11.616 0.335 3.708
37 HD11 LEU 4 HD11 LEU 4 10.829 1.752 6.241
38 HD12 LEU 4 HD12 LEU 4 12.065 2.278 5.098
39 HD13 LEU 4 HD13 LEU 4 12.278 0.776 5.993
40 HD21 LEU 4 HD21 LEU 4 9.738 -1.151 4.166
41 HD22 LEU 4 HD22 LEU 4 9.379 -0.265 5.647
42 HD23 LEU 4 HD23 LEU 4 10.882 -1.176 5.509
43 H LEU 5 HN LEU 5 9.473 2.531 0.579
44 HA LEU 5 HA LEU 5 7.184 4.157 0.869
45 HB2 LEU 5 HB2 LEU 5 9.335 4.803 -0.258
46 HB3 LEU 5 HB1 LEU 5 8.953 3.704 -1.554
47 HG LEU 5 HG LEU 5 8.643 6.143 -2.061
48 HD11 LEU 5 HD11 LEU 5 7.557 4.500 -3.450
49 HD12 LEU 5 HD12 LEU 5 6.538 5.926 -3.249
50 HD13 LEU 5 HD13 LEU 5 6.182 4.452 -2.346
51 HD21 LEU 5 HD21 LEU 5 6.634 7.267 -1.239
52 HD22 LEU 5 HD22 LEU 5 7.745 6.868 0.071
53 HD23 LEU 5 HD23 LEU 5 6.296 5.895 -0.186
54 H LYS 6 HN LYS 6 7.926 1.351 -1.139
55 HA LYS 6 HA LYS 6 5.383 1.311 -2.434
56 HB2 LYS 6 HB2 LYS 6 7.452 -0.842 -2.113
57 HB3 LYS 6 HB1 LYS 6 6.036 -0.981 -3.143
58 HG2 LYS 6 HG2 LYS 6 6.829 0.901 -4.497
59 HG3 LYS 6 HG1 LYS 6 8.250 1.041 -3.460
60 HD2 LYS 6 HD2 LYS 6 7.512 -1.370 -5.120
61 HD3 LYS 6 HD1 LYS 6 8.739 -0.178 -5.536
62 HE2 LYS 6 HE2 LYS 6 10.011 -0.770 -3.531
63 HE3 LYS 6 HE1 LYS 6 8.771 -1.932 -3.076
64 HZ1 LYS 6 HZ1 LYS 6 9.233 -3.202 -5.008
65 HZ2 LYS 6 HZ2 LYS 6 10.684 -2.949 -4.155
66 HZ3 LYS 6 HZ3 LYS 6 10.357 -2.068 -5.557
67 H ARG 7 HN ARG 7 6.730 -0.195 0.421
68 HA ARG 7 HA ARG 7 4.567 -1.905 0.981
69 HB2 ARG 7 HB2 ARG 7 6.796 -2.136 2.018
70 HB3 ARG 7 HB1 ARG 7 6.554 -0.621 2.865
71 HG2 ARG 7 HG2 ARG 7 6.230 -2.549 4.329
72 HG3 ARG 7 HG1 ARG 7 4.758 -1.594 4.170
73 HD2 ARG 7 HD2 ARG 7 4.324 -4.012 4.082
74 HD3 ARG 7 HD1 ARG 7 3.850 -3.202 2.594
75 HE ARG 7 HE ARG 7 6.367 -4.049 2.074
76 HH11 ARG 7 HH11 ARG 7 3.479 -5.713 3.252
77 HH12 ARG 7 HH12 ARG 7 3.839 -7.210 2.545
78 HH21 ARG 7 HH21 ARG 7 6.910 -6.049 1.099
79 HH22 ARG 7 HH22 ARG 7 5.888 -7.412 1.246
80 H LEU 8 HN LEU 8 5.294 1.411 1.946
81 HA LEU 8 HA LEU 8 3.026 1.821 3.583
82 HB2 LEU 8 HB2 LEU 8 5.048 3.279 3.550
83 HB3 LEU 8 HB1 LEU 8 4.592 3.834 1.957
84 HG LEU 8 HG LEU 8 2.515 4.798 2.945
85 HD11 LEU 8 HD11 LEU 8 3.832 4.082 5.558
86 HD12 LEU 8 HD12 LEU 8 2.336 3.398 4.921
87 HD13 LEU 8 HD13 LEU 8 2.407 5.102 5.366
88 HD21 LEU 8 HD21 LEU 8 3.637 6.713 3.982
89 HD22 LEU 8 HD22 LEU 8 4.470 6.186 2.521
90 HD23 LEU 8 HD23 LEU 8 5.124 5.772 4.106
91 H GLY 9 HN GLY 9 3.714 2.389 0.181
92 HA2 GLY 9 HA2 GLY 9 1.260 3.525 -0.569
93 HA3 GLY 9 HA1 GLY 9 2.393 2.706 -1.638
94 H LYS 10 HN LYS 10 2.308 0.200 -0.284
95 HA LYS 10 HA LYS 10 0.183 -1.086 -1.568
96 HB2 LYS 10 HB2 LYS 10 2.286 -2.191 -0.839
97 HB3 LYS 10 HB1 LYS 10 1.759 -2.043 0.827
98 HG2 LYS 10 HG2 LYS 10 -0.134 -3.489 0.376
99 HG3 LYS 10 HG1 LYS 10 0.348 -3.636 -1.309
100 HD2 LYS 10 HD2 LYS 10 2.548 -4.547 -0.482
101 HD3 LYS 10 HD1 LYS 10 1.833 -4.601 1.131
102 HE2 LYS 10 HE2 LYS 10 1.637 -6.773 0.103
103 HE3 LYS 10 HE1 LYS 10 0.034 -6.050 0.239
104 HZ1 LYS 10 HZ1 LYS 10 0.164 -5.422 -2.105
105 HZ2 LYS 10 HZ2 LYS 10 0.364 -7.075 -1.924
106 HZ3 LYS 10 HZ3 LYS 10 1.704 -6.092 -2.220
107 H LYS 11 HN LYS 11 0.624 -0.100 1.767
108 HA LYS 11 HA LYS 11 -1.819 -1.083 2.748
109 HB2 LYS 11 HB2 LYS 11 -0.092 1.177 3.721
110 HB3 LYS 11 HB1 LYS 11 -1.456 0.519 4.621
111 HG2 LYS 11 HG2 LYS 11 -0.317 -1.652 4.697
112 HG3 LYS 11 HG1 LYS 11 1.048 -0.949 3.828
113 HD2 LYS 11 HD2 LYS 11 1.413 0.627 5.633
114 HD3 LYS 11 HD1 LYS 11 0.009 -0.000 6.494
115 HE2 LYS 11 HE2 LYS 11 1.095 -2.190 6.632
116 HE3 LYS 11 HE1 LYS 11 2.510 -1.535 5.812
117 HZ1 LYS 11 HZ1 LYS 11 2.799 -1.587 8.204
118 HZ2 LYS 11 HZ2 LYS 11 1.448 -0.607 8.418
119 HZ3 LYS 11 HZ3 LYS 11 2.810 0.001 7.644
120 H ILE 12 HN ILE 12 -0.885 1.964 1.298
121 HA ILE 12 HA ILE 12 -3.357 3.289 1.659
122 HB ILE 12 HB ILE 12 -1.286 3.739 -0.528
123 HG12 ILE 12 HG12 ILE 12 -1.621 5.157 2.131
124 HG13 ILE 12 HG11 ILE 12 -0.377 3.968 1.769
125 HG21 ILE 12 HG21 ILE 12 -3.450 4.742 -1.085
126 HG22 ILE 12 HG22 ILE 12 -2.267 5.995 -0.713
127 HG23 ILE 12 HG23 ILE 12 -3.489 5.555 0.480
128 HD11 ILE 12 HD11 ILE 12 -0.700 6.646 0.430
129 HD12 ILE 12 HD12 ILE 12 0.556 5.464 0.074
130 HD13 ILE 12 HD13 ILE 12 0.495 6.235 1.660
131 H ARG 13 HN ARG 13 -2.035 1.263 -0.906
132 HA ARG 13 HA ARG 13 -4.078 1.404 -2.804
133 HB2 ARG 13 HB2 ARG 13 -2.334 -0.940 -2.055
134 HB3 ARG 13 HB1 ARG 13 -3.392 -0.957 -3.452
135 HG2 ARG 13 HG2 ARG 13 -1.044 0.894 -3.015
136 HG3 ARG 13 HG1 ARG 13 -1.024 -0.564 -4.000
137 HD2 ARG 13 HD2 ARG 13 -1.280 1.262 -5.488
138 HD3 ARG 13 HD1 ARG 13 -2.856 0.485 -5.376
139 HE ARG 13 HE ARG 13 -2.229 2.806 -3.725
140 HH11 ARG 13 HH11 ARG 13 -4.169 1.375 -6.342
141 HH12 ARG 13 HH12 ARG 13 -5.271 2.670 -6.395
142 HH21 ARG 13 HH21 ARG 13 -3.739 4.604 -3.877
143 HH22 ARG 13 HH22 ARG 13 -5.043 4.493 -4.977
144 H LEU 14 HN LEU 14 -3.763 -0.857 -0.081
145 HA LEU 14 HA LEU 14 -6.247 -2.105 -0.553
146 HB2 LEU 14 HB2 LEU 14 -4.438 -2.048 1.833
147 HB3 LEU 14 HB1 LEU 14 -6.034 -2.734 1.985
148 HG LEU 14 HG LEU 14 -4.488 -4.515 1.664
149 HD11 LEU 14 HD11 LEU 14 -5.323 -5.600 -0.326
150 HD12 LEU 14 HD12 LEU 14 -5.957 -4.072 -0.912
151 HD13 LEU 14 HD13 LEU 14 -6.610 -4.786 0.564
152 HD21 LEU 14 HD21 LEU 14 -3.555 -3.137 -0.852
153 HD22 LEU 14 HD22 LEU 14 -3.050 -4.738 -0.307
154 HD23 LEU 14 HD23 LEU 14 -2.633 -3.310 0.641
155 H ALA 15 HN ALA 15 -5.373 0.612 1.475
156 HA ALA 15 HA ALA 15 -7.895 0.899 2.717
157 HB1 ALA 15 HB1 ALA 15 -7.107 3.104 3.399
158 HB2 ALA 15 HB2 ALA 15 -5.779 3.000 2.246
159 HB3 ALA 15 HB3 ALA 15 -5.839 1.898 3.621
160 H ALA 16 HN ALA 16 -6.490 2.276 -0.198
161 HA ALA 16 HA ALA 16 -8.445 4.151 -0.816
162 HB1 ALA 16 HB1 ALA 16 -7.559 4.093 -3.076
163 HB2 ALA 16 HB2 ALA 16 -6.707 2.592 -2.716
164 HB3 ALA 16 HB3 ALA 16 -6.254 4.085 -1.889
165 H ALA 17 HN ALA 17 -8.274 0.745 -1.535
166 HA ALA 17 HA ALA 17 -10.628 0.768 -3.170
167 HB1 ALA 17 HB1 ALA 17 -8.906 -0.932 -3.480
168 HB2 ALA 17 HB2 ALA 17 -10.444 -1.689 -3.056
169 HB3 ALA 17 HB3 ALA 17 -9.175 -1.518 -1.843
170 H PHE 18 HN PHE 18 -9.874 0.326 0.172
171 HA PHE 18 HA PHE 18 -12.279 -0.978 0.935
172 HB2 PHE 18 HB2 PHE 18 -10.174 -1.252 2.175
173 HB3 PHE 18 HB1 PHE 18 -10.237 0.439 2.648
174 HD1 PHE 18 HD1 PHE 18 -11.652 -2.884 3.161
175 HD2 PHE 18 HD2 PHE 18 -11.785 1.196 4.357
176 HE1 PHE 18 HE1 PHE 18 -12.961 -3.506 5.143
177 HE2 PHE 18 HE2 PHE 18 -13.092 0.574 6.339
178 HZ PHE 18 HZ PHE 18 -13.685 -1.778 6.734
179 H LYS 19 HN LYS 19 -11.223 2.448 1.042
180 HA LYS 19 HA LYS 19 -13.265 3.314 2.700
181 HB2 LYS 19 HB2 LYS 19 -12.588 5.571 1.799
182 HB3 LYS 19 HB1 LYS 19 -11.335 4.596 2.553
183 HG2 LYS 19 HG2 LYS 19 -10.685 3.835 0.234
184 HG3 LYS 19 HG1 LYS 19 -11.774 5.075 -0.371
185 HD2 LYS 19 HD2 LYS 19 -9.474 5.562 1.486
186 HD3 LYS 19 HD1 LYS 19 -9.434 5.720 -0.270
187 HE2 LYS 19 HE2 LYS 19 -11.288 7.245 1.548
188 HE3 LYS 19 HE1 LYS 19 -9.740 7.834 0.944
189 HZ1 LYS 19 HZ1 LYS 19 -11.656 8.610 -0.373
190 HZ2 LYS 19 HZ2 LYS 19 -12.008 7.025 -0.817
191 HZ3 LYS 19 HZ3 LYS 19 -10.551 7.738 -1.280
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 15.552 4.012 0.237
2 H3 PRO 1 HT2 PRO 1 14.031 3.443 0.911
3 HA PRO 1 HA PRO 1 14.800 3.449 -1.929
4 HB2 PRO 1 HB2 PRO 1 14.423 0.866 -0.581
5 HB3 PRO 1 HB1 PRO 1 15.661 1.366 -1.741
6 HG2 PRO 1 HG2 PRO 1 16.223 1.076 0.872
7 HG3 PRO 1 HG1 PRO 1 16.995 2.310 -0.140
8 HD2 PRO 1 HD2 PRO 1 14.850 2.543 1.870
9 HD3 PRO 1 HD1 PRO 1 16.150 3.666 1.582
10 H MET 2 HN MET 2 13.344 1.612 -2.930
11 HA MET 2 HA MET 2 10.736 2.725 -2.675
12 HB2 MET 2 HB2 MET 2 11.831 0.627 -4.523
13 HB3 MET 2 HB1 MET 2 10.176 1.214 -4.579
14 HG2 MET 2 HG2 MET 2 10.964 3.455 -5.042
15 HG3 MET 2 HG1 MET 2 12.634 2.912 -4.927
16 HE1 MET 2 HE1 MET 2 13.152 3.984 -7.233
17 HE2 MET 2 HE2 MET 2 11.483 4.532 -7.402
18 HE3 MET 2 HE3 MET 2 12.263 3.651 -8.718
19 H LYS 3 HN LYS 3 12.243 -0.125 -1.480
20 HA LYS 3 HA LYS 3 10.095 -1.866 -1.289
21 HB2 LYS 3 HB2 LYS 3 12.430 -1.516 0.571
22 HB3 LYS 3 HB1 LYS 3 11.224 -2.770 0.818
23 HG2 LYS 3 HG2 LYS 3 11.753 -3.722 -1.368
24 HG3 LYS 3 HG1 LYS 3 12.942 -2.452 -1.638
25 HD2 LYS 3 HD2 LYS 3 13.055 -4.433 0.637
26 HD3 LYS 3 HD1 LYS 3 13.917 -4.623 -0.886
27 HE2 LYS 3 HE2 LYS 3 15.121 -2.535 -0.461
28 HE3 LYS 3 HE1 LYS 3 14.257 -2.339 1.057
29 HZ1 LYS 3 HZ1 LYS 3 16.043 -4.619 0.416
30 HZ2 LYS 3 HZ2 LYS 3 15.295 -4.336 1.889
31 HZ3 LYS 3 HZ3 LYS 3 16.481 -3.285 1.331
32 H LEU 4 HN LEU 4 11.082 0.310 1.354
33 HA LEU 4 HA LEU 4 8.637 -0.210 2.750
34 HB2 LEU 4 HB2 LEU 4 10.808 1.798 3.269
35 HB3 LEU 4 HB1 LEU 4 9.414 1.599 4.302
36 HG LEU 4 HG LEU 4 11.489 -0.529 3.765
37 HD11 LEU 4 HD11 LEU 4 12.376 1.307 5.091
38 HD12 LEU 4 HD12 LEU 4 12.158 -0.137 6.080
39 HD13 LEU 4 HD13 LEU 4 11.004 1.192 6.191
40 HD21 LEU 4 HD21 LEU 4 9.132 -0.459 5.645
41 HD22 LEU 4 HD22 LEU 4 10.380 -1.700 5.620
42 HD23 LEU 4 HD23 LEU 4 9.315 -1.502 4.233
43 H LEU 5 HN LEU 5 9.672 2.121 0.470
44 HA LEU 5 HA LEU 5 7.709 4.105 0.966
45 HB2 LEU 5 HB2 LEU 5 9.671 4.545 -0.414
46 HB3 LEU 5 HB1 LEU 5 9.150 3.327 -1.557
47 HG LEU 5 HG LEU 5 7.199 4.712 -2.140
48 HD11 LEU 5 HD11 LEU 5 6.940 5.942 -0.061
49 HD12 LEU 5 HD12 LEU 5 7.092 7.035 -1.433
50 HD13 LEU 5 HD13 LEU 5 8.464 6.782 -0.355
51 HD21 LEU 5 HD21 LEU 5 8.445 6.419 -3.374
52 HD22 LEU 5 HD22 LEU 5 9.215 4.835 -3.471
53 HD23 LEU 5 HD23 LEU 5 9.871 6.071 -2.396
54 H LYS 6 HN LYS 6 7.856 1.359 -1.238
55 HA LYS 6 HA LYS 6 5.236 1.732 -2.251
56 HB2 LYS 6 HB2 LYS 6 7.061 0.637 -3.511
57 HB3 LYS 6 HB1 LYS 6 7.041 -0.679 -2.351
58 HG2 LYS 6 HG2 LYS 6 4.853 -1.349 -3.059
59 HG3 LYS 6 HG1 LYS 6 4.716 0.087 -4.076
60 HD2 LYS 6 HD2 LYS 6 5.248 -1.871 -5.430
61 HD3 LYS 6 HD1 LYS 6 6.563 -0.701 -5.463
62 HE2 LYS 6 HE2 LYS 6 7.757 -2.043 -3.761
63 HE3 LYS 6 HE1 LYS 6 6.449 -3.227 -3.811
64 HZ1 LYS 6 HZ1 LYS 6 8.267 -3.929 -5.206
65 HZ2 LYS 6 HZ2 LYS 6 8.237 -2.483 -6.060
66 HZ3 LYS 6 HZ3 LYS 6 6.953 -3.540 -6.188
67 H ARG 7 HN ARG 7 6.637 -0.033 0.398
68 HA ARG 7 HA ARG 7 4.317 -1.612 0.928
69 HB2 ARG 7 HB2 ARG 7 6.717 -2.085 1.659
70 HB3 ARG 7 HB1 ARG 7 6.476 -0.867 2.897
71 HG2 ARG 7 HG2 ARG 7 4.690 -2.188 3.884
72 HG3 ARG 7 HG1 ARG 7 4.866 -3.397 2.608
73 HD2 ARG 7 HD2 ARG 7 6.930 -2.634 4.673
74 HD3 ARG 7 HD1 ARG 7 6.037 -4.152 4.586
75 HE ARG 7 HE ARG 7 7.264 -4.021 2.192
76 HH11 ARG 7 HH11 ARG 7 8.409 -4.014 5.521
77 HH12 ARG 7 HH12 ARG 7 10.007 -4.468 5.119
78 HH21 ARG 7 HH21 ARG 7 9.423 -4.589 1.631
79 HH22 ARG 7 HH22 ARG 7 10.623 -4.754 2.842
80 H LEU 8 HN LEU 8 5.434 1.564 1.868
81 HA LEU 8 HA LEU 8 3.467 2.089 3.856
82 HB2 LEU 8 HB2 LEU 8 5.504 3.457 3.623
83 HB3 LEU 8 HB1 LEU 8 4.990 3.962 2.033
84 HG LEU 8 HG LEU 8 3.072 5.152 3.055
85 HD11 LEU 8 HD11 LEU 8 3.048 5.548 5.464
86 HD12 LEU 8 HD12 LEU 8 4.381 4.412 5.665
87 HD13 LEU 8 HD13 LEU 8 2.815 3.843 5.082
88 HD21 LEU 8 HD21 LEU 8 5.128 6.343 2.536
89 HD22 LEU 8 HD22 LEU 8 5.787 5.923 4.118
90 HD23 LEU 8 HD23 LEU 8 4.387 6.990 3.999
91 H GLY 9 HN GLY 9 3.760 2.810 0.412
92 HA2 GLY 9 HA2 GLY 9 1.234 4.012 0.106
93 HA3 GLY 9 HA1 GLY 9 2.226 3.358 -1.187
94 H LYS 10 HN LYS 10 2.295 0.709 -0.004
95 HA LYS 10 HA LYS 10 0.169 -0.579 -1.178
96 HB2 LYS 10 HB2 LYS 10 2.236 -1.697 -0.553
97 HB3 LYS 10 HB1 LYS 10 1.894 -1.442 1.145
98 HG2 LYS 10 HG2 LYS 10 -0.005 -2.969 0.999
99 HG3 LYS 10 HG1 LYS 10 0.317 -3.202 -0.722
100 HD2 LYS 10 HD2 LYS 10 2.482 -4.156 -0.238
101 HD3 LYS 10 HD1 LYS 10 2.289 -3.818 1.479
102 HE2 LYS 10 HE2 LYS 10 1.865 -6.163 1.010
103 HE3 LYS 10 HE1 LYS 10 0.402 -5.363 1.568
104 HZ1 LYS 10 HZ1 LYS 10 -0.009 -6.840 -0.294
105 HZ2 LYS 10 HZ2 LYS 10 1.046 -5.972 -1.273
106 HZ3 LYS 10 HZ3 LYS 10 -0.380 -5.256 -0.708
107 H LYS 11 HN LYS 11 0.508 0.440 2.233
108 HA LYS 11 HA LYS 11 -1.953 -0.637 3.103
109 HB2 LYS 11 HB2 LYS 11 -0.423 1.720 4.184
110 HB3 LYS 11 HB1 LYS 11 -1.647 0.795 5.049
111 HG2 LYS 11 HG2 LYS 11 -0.237 -1.175 4.951
112 HG3 LYS 11 HG1 LYS 11 0.976 -0.265 4.050
113 HD2 LYS 11 HD2 LYS 11 1.187 1.272 5.960
114 HD3 LYS 11 HD1 LYS 11 0.037 0.272 6.853
115 HE2 LYS 11 HE2 LYS 11 2.303 -0.259 7.466
116 HE3 LYS 11 HE1 LYS 11 1.554 -1.641 6.658
117 HZ1 LYS 11 HZ1 LYS 11 3.456 0.303 5.470
118 HZ2 LYS 11 HZ2 LYS 11 2.746 -0.978 4.621
119 HZ3 LYS 11 HZ3 LYS 11 3.806 -1.279 5.894
120 H ILE 12 HN ILE 12 -1.036 2.405 1.667
121 HA ILE 12 HA ILE 12 -3.474 3.806 2.097
122 HB ILE 12 HB ILE 12 -1.441 4.198 -0.129
123 HG12 ILE 12 HG12 ILE 12 -1.588 5.526 2.595
124 HG13 ILE 12 HG11 ILE 12 -0.403 4.326 2.105
125 HG21 ILE 12 HG21 ILE 12 -3.555 5.313 -0.601
126 HG22 ILE 12 HG22 ILE 12 -2.309 6.505 -0.229
127 HG23 ILE 12 HG23 ILE 12 -3.522 6.090 0.982
128 HD11 ILE 12 HD11 ILE 12 -0.721 7.088 0.951
129 HD12 ILE 12 HD12 ILE 12 0.454 5.894 0.413
130 HD13 ILE 12 HD13 ILE 12 0.550 6.550 2.049
131 H ARG 13 HN ARG 13 -2.120 2.050 -0.620
132 HA ARG 13 HA ARG 13 -4.304 2.266 -2.369
133 HB2 ARG 13 HB2 ARG 13 -2.080 0.243 -2.224
134 HB3 ARG 13 HB1 ARG 13 -3.235 0.343 -3.545
135 HG2 ARG 13 HG2 ARG 13 -2.477 2.553 -4.105
136 HG3 ARG 13 HG1 ARG 13 -1.406 2.572 -2.704
137 HD2 ARG 13 HD2 ARG 13 -0.206 2.100 -4.788
138 HD3 ARG 13 HD1 ARG 13 -0.107 0.763 -3.644
139 HE ARG 13 HE ARG 13 -2.019 -0.187 -5.011
140 HH11 ARG 13 HH11 ARG 13 0.544 1.816 -6.449
141 HH12 ARG 13 HH12 ARG 13 0.466 1.057 -7.957
142 HH21 ARG 13 HH21 ARG 13 -2.071 -1.252 -7.046
143 HH22 ARG 13 HH22 ARG 13 -1.065 -0.740 -8.323
144 H LEU 14 HN LEU 14 -3.433 -0.191 -0.006
145 HA LEU 14 HA LEU 14 -5.414 -2.063 -0.580
146 HB2 LEU 14 HB2 LEU 14 -3.504 -2.479 0.919
147 HB3 LEU 14 HB1 LEU 14 -4.176 -1.363 2.086
148 HG LEU 14 HG LEU 14 -6.119 -2.884 2.368
149 HD11 LEU 14 HD11 LEU 14 -5.957 -5.181 1.527
150 HD12 LEU 14 HD12 LEU 14 -4.516 -4.738 0.614
151 HD13 LEU 14 HD13 LEU 14 -6.071 -4.007 0.217
152 HD21 LEU 14 HD21 LEU 14 -4.915 -4.577 3.660
153 HD22 LEU 14 HD22 LEU 14 -4.237 -2.967 3.911
154 HD23 LEU 14 HD23 LEU 14 -3.411 -4.119 2.860
155 H ALA 15 HN ALA 15 -5.408 0.569 1.822
156 HA ALA 15 HA ALA 15 -8.058 0.188 2.654
157 HB1 ALA 15 HB1 ALA 15 -6.422 1.469 3.959
158 HB2 ALA 15 HB2 ALA 15 -7.889 2.405 3.661
159 HB3 ALA 15 HB3 ALA 15 -6.431 2.724 2.722
160 H ALA 16 HN ALA 16 -6.660 2.299 0.196
161 HA ALA 16 HA ALA 16 -8.965 3.696 -0.530
162 HB1 ALA 16 HB1 ALA 16 -6.696 4.335 -1.205
163 HB2 ALA 16 HB2 ALA 16 -7.803 4.255 -2.577
164 HB3 ALA 16 HB3 ALA 16 -6.647 2.954 -2.300
165 H ALA 17 HN ALA 17 -7.960 0.482 -1.329
166 HA ALA 17 HA ALA 17 -9.661 0.197 -3.607
167 HB1 ALA 17 HB1 ALA 17 -7.642 -1.130 -3.357
168 HB2 ALA 17 HB2 ALA 17 -9.067 -2.166 -3.480
169 HB3 ALA 17 HB3 ALA 17 -8.310 -1.880 -1.911
170 H PHE 18 HN PHE 18 -10.076 -0.180 -0.120
171 HA PHE 18 HA PHE 18 -12.454 -1.667 -0.381
172 HB2 PHE 18 HB2 PHE 18 -10.895 -0.392 1.818
173 HB3 PHE 18 HB1 PHE 18 -12.496 -1.033 2.096
174 HD1 PHE 18 HD1 PHE 18 -12.872 -3.508 1.644
175 HD2 PHE 18 HD2 PHE 18 -8.996 -1.773 1.767
176 HE1 PHE 18 HE1 PHE 18 -11.886 -5.734 1.986
177 HE2 PHE 18 HE2 PHE 18 -8.008 -3.995 2.105
178 HZ PHE 18 HZ PHE 18 -9.456 -5.983 2.212
179 H LYS 19 HN LYS 19 -11.528 1.629 -0.546
180 HA LYS 19 HA LYS 19 -14.058 2.658 0.392
181 HB2 LYS 19 HB2 LYS 19 -11.927 4.253 -1.022
182 HB3 LYS 19 HB1 LYS 19 -13.124 4.816 0.127
183 HG2 LYS 19 HG2 LYS 19 -10.669 3.170 0.704
184 HG3 LYS 19 HG1 LYS 19 -10.961 4.844 1.162
185 HD2 LYS 19 HD2 LYS 19 -12.573 2.491 2.141
186 HD3 LYS 19 HD1 LYS 19 -11.201 3.172 3.003
187 HE2 LYS 19 HE2 LYS 19 -12.377 5.305 3.175
188 HE3 LYS 19 HE1 LYS 19 -13.740 4.632 2.277
189 HZ1 LYS 19 HZ1 LYS 19 -14.039 3.019 4.033
190 HZ2 LYS 19 HZ2 LYS 19 -14.171 4.586 4.625
191 HZ3 LYS 19 HZ3 LYS 19 -12.767 3.699 4.924
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 14.229 6.219 0.767
2 H3 PRO 1 HT2 PRO 1 12.572 6.150 0.230
3 HA PRO 1 HA PRO 1 14.477 3.957 -0.219
4 HB2 PRO 1 HB2 PRO 1 12.727 3.242 1.913
5 HB3 PRO 1 HB1 PRO 1 14.491 3.363 1.957
6 HG2 PRO 1 HG2 PRO 1 12.779 5.073 3.297
7 HG3 PRO 1 HG1 PRO 1 14.446 5.462 2.861
8 HD2 PRO 1 HD2 PRO 1 11.897 6.242 1.571
9 HD3 PRO 1 HD1 PRO 1 13.361 7.203 1.758
10 H MET 2 HN MET 2 13.493 3.122 -1.990
11 HA MET 2 HA MET 2 10.760 3.668 -2.506
12 HB2 MET 2 HB2 MET 2 11.016 2.539 -4.597
13 HB3 MET 2 HB1 MET 2 12.451 3.503 -4.317
14 HG2 MET 2 HG2 MET 2 12.233 0.519 -3.922
15 HG3 MET 2 HG1 MET 2 12.941 1.310 -5.323
16 HE1 MET 2 HE1 MET 2 15.243 2.572 -5.310
17 HE2 MET 2 HE2 MET 2 16.196 2.885 -3.863
18 HE3 MET 2 HE3 MET 2 14.638 3.683 -4.080
19 H LYS 3 HN LYS 3 12.433 0.859 -1.286
20 HA LYS 3 HA LYS 3 10.296 -0.959 -1.691
21 HB2 LYS 3 HB2 LYS 3 12.587 -1.096 0.268
22 HB3 LYS 3 HB1 LYS 3 11.567 -2.432 -0.242
23 HG2 LYS 3 HG2 LYS 3 12.386 -2.333 -2.467
24 HG3 LYS 3 HG1 LYS 3 13.256 -0.837 -2.138
25 HD2 LYS 3 HD2 LYS 3 14.678 -2.027 -0.550
26 HD3 LYS 3 HD1 LYS 3 13.803 -3.521 -0.893
27 HE2 LYS 3 HE2 LYS 3 15.897 -3.388 -2.116
28 HE3 LYS 3 HE1 LYS 3 14.514 -3.434 -3.212
29 HZ1 LYS 3 HZ1 LYS 3 16.056 -1.003 -2.443
30 HZ2 LYS 3 HZ2 LYS 3 14.748 -1.023 -3.512
31 HZ3 LYS 3 HZ3 LYS 3 16.167 -1.806 -3.914
32 H LEU 4 HN LEU 4 11.229 1.163 0.918
33 HA LEU 4 HA LEU 4 9.264 0.131 2.729
34 HB2 LEU 4 HB2 LEU 4 10.811 2.721 2.834
35 HB3 LEU 4 HB1 LEU 4 9.836 2.072 4.137
36 HG LEU 4 HG LEU 4 12.334 0.800 3.015
37 HD11 LEU 4 HD11 LEU 4 11.830 2.168 5.637
38 HD12 LEU 4 HD12 LEU 4 12.796 2.799 4.303
39 HD13 LEU 4 HD13 LEU 4 13.322 1.353 5.167
40 HD21 LEU 4 HD21 LEU 4 10.772 -0.900 3.798
41 HD22 LEU 4 HD22 LEU 4 10.576 -0.040 5.324
42 HD23 LEU 4 HD23 LEU 4 12.132 -0.758 4.910
43 H LEU 5 HN LEU 5 9.394 2.652 0.328
44 HA LEU 5 HA LEU 5 6.879 3.767 1.043
45 HB2 LEU 5 HB2 LEU 5 8.404 3.894 -1.556
46 HB3 LEU 5 HB1 LEU 5 6.940 4.796 -1.227
47 HG LEU 5 HG LEU 5 9.584 5.126 0.192
48 HD11 LEU 5 HD11 LEU 5 8.118 6.904 -1.735
49 HD12 LEU 5 HD12 LEU 5 9.576 5.976 -2.072
50 HD13 LEU 5 HD13 LEU 5 9.623 7.297 -0.904
51 HD21 LEU 5 HD21 LEU 5 7.732 5.558 1.724
52 HD22 LEU 5 HD22 LEU 5 6.980 6.619 0.536
53 HD23 LEU 5 HD23 LEU 5 8.519 7.069 1.268
54 H LYS 6 HN LYS 6 7.916 1.071 -0.886
55 HA LYS 6 HA LYS 6 5.395 0.616 -2.080
56 HB2 LYS 6 HB2 LYS 6 7.714 -1.250 -1.589
57 HB3 LYS 6 HB1 LYS 6 6.247 -1.745 -2.419
58 HG2 LYS 6 HG2 LYS 6 8.117 0.443 -3.312
59 HG3 LYS 6 HG1 LYS 6 8.030 -1.187 -3.984
60 HD2 LYS 6 HD2 LYS 6 5.713 -0.787 -4.667
61 HD3 LYS 6 HD1 LYS 6 5.788 0.839 -3.993
62 HE2 LYS 6 HE2 LYS 6 7.552 1.423 -5.557
63 HE3 LYS 6 HE1 LYS 6 7.508 -0.207 -6.226
64 HZ1 LYS 6 HZ1 LYS 6 5.236 0.190 -6.961
65 HZ2 LYS 6 HZ2 LYS 6 6.264 1.390 -7.553
66 HZ3 LYS 6 HZ3 LYS 6 5.255 1.727 -6.268
67 H ARG 7 HN ARG 7 6.706 -0.126 1.020
68 HA ARG 7 HA ARG 7 4.560 -1.901 1.723
69 HB2 ARG 7 HB2 ARG 7 6.548 -0.423 3.462
70 HB3 ARG 7 HB1 ARG 7 5.365 -1.566 4.080
71 HG2 ARG 7 HG2 ARG 7 7.584 -2.195 2.136
72 HG3 ARG 7 HG1 ARG 7 7.564 -2.593 3.854
73 HD2 ARG 7 HD2 ARG 7 5.633 -3.633 1.768
74 HD3 ARG 7 HD1 ARG 7 6.954 -4.535 2.500
75 HE ARG 7 HE ARG 7 5.505 -3.708 4.618
76 HH11 ARG 7 HH11 ARG 7 4.585 -5.521 1.701
77 HH12 ARG 7 HH12 ARG 7 3.372 -6.423 2.490
78 HH21 ARG 7 HH21 ARG 7 3.869 -4.901 5.658
79 HH22 ARG 7 HH22 ARG 7 2.949 -6.067 4.822
80 H LEU 8 HN LEU 8 5.260 1.488 2.092
81 HA LEU 8 HA LEU 8 2.972 2.245 3.544
82 HB2 LEU 8 HB2 LEU 8 4.849 3.762 3.263
83 HB3 LEU 8 HB1 LEU 8 4.640 3.752 1.527
84 HG LEU 8 HG LEU 8 2.494 4.938 1.787
85 HD11 LEU 8 HD11 LEU 8 1.927 5.950 3.946
86 HD12 LEU 8 HD12 LEU 8 3.206 4.999 4.711
87 HD13 LEU 8 HD13 LEU 8 1.828 4.193 3.960
88 HD21 LEU 8 HD21 LEU 8 4.851 6.274 3.110
89 HD22 LEU 8 HD22 LEU 8 3.441 7.099 2.447
90 HD23 LEU 8 HD23 LEU 8 4.523 6.204 1.379
91 H GLY 9 HN GLY 9 3.636 2.293 0.063
92 HA2 GLY 9 HA2 GLY 9 1.127 3.046 -0.833
93 HA3 GLY 9 HA1 GLY 9 2.294 2.099 -1.752
94 H LYS 10 HN LYS 10 2.400 -0.121 -0.084
95 HA LYS 10 HA LYS 10 0.447 -1.809 -1.051
96 HB2 LYS 10 HB2 LYS 10 2.630 -2.465 -0.058
97 HB3 LYS 10 HB1 LYS 10 2.022 -2.065 1.525
98 HG2 LYS 10 HG2 LYS 10 0.837 -4.235 -0.204
99 HG3 LYS 10 HG1 LYS 10 2.153 -4.514 0.924
100 HD2 LYS 10 HD2 LYS 10 -0.620 -3.534 1.626
101 HD3 LYS 10 HD1 LYS 10 -0.007 -5.167 1.860
102 HE2 LYS 10 HE2 LYS 10 1.735 -4.209 3.394
103 HE3 LYS 10 HE1 LYS 10 0.938 -2.648 3.232
104 HZ1 LYS 10 HZ1 LYS 10 0.176 -3.756 5.226
105 HZ2 LYS 10 HZ2 LYS 10 -0.230 -5.118 4.355
106 HZ3 LYS 10 HZ3 LYS 10 -1.118 -3.722 4.133
107 H LYS 11 HN LYS 11 0.515 -0.153 2.110
108 HA LYS 11 HA LYS 11 -2.010 -1.329 2.810
109 HB2 LYS 11 HB2 LYS 11 -1.882 -0.087 4.904
110 HB3 LYS 11 HB1 LYS 11 -0.371 -0.910 4.578
111 HG2 LYS 11 HG2 LYS 11 0.619 1.205 3.853
112 HG3 LYS 11 HG1 LYS 11 -0.910 2.024 4.176
113 HD2 LYS 11 HD2 LYS 11 -0.756 1.312 6.534
114 HD3 LYS 11 HD1 LYS 11 0.801 0.572 6.171
115 HE2 LYS 11 HE2 LYS 11 1.703 2.753 5.551
116 HE3 LYS 11 HE1 LYS 11 0.144 3.500 5.892
117 HZ1 LYS 11 HZ1 LYS 11 1.714 3.750 7.732
118 HZ2 LYS 11 HZ2 LYS 11 1.820 2.074 7.882
119 HZ3 LYS 11 HZ3 LYS 11 0.362 2.843 8.190
120 H ILE 12 HN ILE 12 -0.923 1.758 1.564
121 HA ILE 12 HA ILE 12 -3.379 3.113 1.907
122 HB ILE 12 HB ILE 12 -1.184 3.610 -0.136
123 HG12 ILE 12 HG12 ILE 12 -0.348 3.823 2.148
124 HG13 ILE 12 HG11 ILE 12 -0.436 5.404 1.387
125 HG21 ILE 12 HG21 ILE 12 -3.441 5.426 0.706
126 HG22 ILE 12 HG22 ILE 12 -3.257 4.645 -0.865
127 HG23 ILE 12 HG23 ILE 12 -2.103 5.876 -0.350
128 HD11 ILE 12 HD11 ILE 12 -2.384 4.280 3.399
129 HD12 ILE 12 HD12 ILE 12 -2.520 5.853 2.616
130 HD13 ILE 12 HD13 ILE 12 -1.163 5.520 3.691
131 H ARG 13 HN ARG 13 -2.040 1.163 -0.679
132 HA ARG 13 HA ARG 13 -3.986 1.385 -2.613
133 HB2 ARG 13 HB2 ARG 13 -2.294 -0.965 -1.798
134 HB3 ARG 13 HB1 ARG 13 -3.401 -1.055 -3.156
135 HG2 ARG 13 HG2 ARG 13 -2.179 0.562 -4.375
136 HG3 ARG 13 HG1 ARG 13 -1.249 1.028 -2.949
137 HD2 ARG 13 HD2 ARG 13 0.044 -0.381 -4.510
138 HD3 ARG 13 HD1 ARG 13 -0.135 -1.116 -2.923
139 HE ARG 13 HE ARG 13 -2.150 -1.924 -4.760
140 HH11 ARG 13 HH11 ARG 13 1.209 -2.609 -3.770
141 HH12 ARG 13 HH12 ARG 13 1.190 -4.207 -4.321
142 HH21 ARG 13 HH21 ARG 13 -2.167 -4.170 -5.476
143 HH22 ARG 13 HH22 ARG 13 -0.775 -5.117 -5.313
144 H LEU 14 HN LEU 14 -3.920 -0.753 0.185
145 HA LEU 14 HA LEU 14 -6.370 -2.063 -0.367
146 HB2 LEU 14 HB2 LEU 14 -4.682 -3.021 1.134
147 HB3 LEU 14 HB1 LEU 14 -4.911 -1.695 2.252
148 HG LEU 14 HG LEU 14 -7.228 -2.469 2.660
149 HD11 LEU 14 HD11 LEU 14 -6.435 -4.806 0.935
150 HD12 LEU 14 HD12 LEU 14 -7.659 -3.591 0.562
151 HD13 LEU 14 HD13 LEU 14 -7.898 -4.696 1.914
152 HD21 LEU 14 HD21 LEU 14 -5.092 -4.544 3.110
153 HD22 LEU 14 HD22 LEU 14 -6.628 -4.435 3.970
154 HD23 LEU 14 HD23 LEU 14 -5.430 -3.155 4.145
155 H ALA 15 HN ALA 15 -5.515 0.692 1.665
156 HA ALA 15 HA ALA 15 -8.065 1.105 2.796
157 HB1 ALA 15 HB1 ALA 15 -5.848 3.108 2.366
158 HB2 ALA 15 HB2 ALA 15 -6.003 2.031 3.754
159 HB3 ALA 15 HB3 ALA 15 -7.208 3.288 3.475
160 H ALA 16 HN ALA 16 -6.520 2.411 -0.075
161 HA ALA 16 HA ALA 16 -8.660 4.175 -0.741
162 HB1 ALA 16 HB1 ALA 16 -6.375 3.188 -2.444
163 HB2 ALA 16 HB2 ALA 16 -6.323 4.591 -1.382
164 HB3 ALA 16 HB3 ALA 16 -7.394 4.589 -2.779
165 H ALA 17 HN ALA 17 -7.910 0.860 -1.419
166 HA ALA 17 HA ALA 17 -9.809 0.633 -3.570
167 HB1 ALA 17 HB1 ALA 17 -8.439 -1.544 -1.993
168 HB2 ALA 17 HB2 ALA 17 -7.822 -0.809 -3.472
169 HB3 ALA 17 HB3 ALA 17 -9.315 -1.746 -3.511
170 H PHE 18 HN PHE 18 -9.814 0.390 -0.180
171 HA PHE 18 HA PHE 18 -12.110 -1.201 0.205
172 HB2 PHE 18 HB2 PHE 18 -10.464 -0.858 1.965
173 HB3 PHE 18 HB1 PHE 18 -10.804 0.866 1.983
174 HD1 PHE 18 HD1 PHE 18 -12.342 1.703 3.507
175 HD2 PHE 18 HD2 PHE 18 -12.444 -2.420 2.476
176 HE1 PHE 18 HE1 PHE 18 -14.070 1.323 5.206
177 HE2 PHE 18 HE2 PHE 18 -14.168 -2.801 4.169
178 HZ PHE 18 HZ PHE 18 -14.986 -0.928 5.538
179 H LYS 19 HN LYS 19 -11.632 2.262 -0.180
180 HA LYS 19 HA LYS 19 -14.279 3.020 0.432
181 HB2 LYS 19 HB2 LYS 19 -12.227 4.471 -1.228
182 HB3 LYS 19 HB1 LYS 19 -13.637 5.188 -0.459
183 HG2 LYS 19 HG2 LYS 19 -11.252 3.964 0.930
184 HG3 LYS 19 HG1 LYS 19 -11.642 5.680 0.825
185 HD2 LYS 19 HD2 LYS 19 -13.424 3.625 2.128
186 HD3 LYS 19 HD1 LYS 19 -12.212 4.561 2.981
187 HE2 LYS 19 HE2 LYS 19 -13.350 6.620 2.477
188 HE3 LYS 19 HE1 LYS 19 -14.438 5.814 1.354
189 HZ1 LYS 19 HZ1 LYS 19 -14.373 5.352 4.296
190 HZ2 LYS 19 HZ2 LYS 19 -15.450 4.657 3.187
191 HZ3 LYS 19 HZ3 LYS 19 -15.490 6.301 3.465
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 13.824 5.711 0.897
2 H3 PRO 1 HT2 PRO 1 15.113 5.608 1.831
3 HA PRO 1 HA PRO 1 15.188 3.774 0.416
4 HB2 PRO 1 HB2 PRO 1 13.920 2.051 2.284
5 HB3 PRO 1 HB1 PRO 1 15.647 2.379 2.140
6 HG2 PRO 1 HG2 PRO 1 13.647 3.557 3.973
7 HG3 PRO 1 HG1 PRO 1 15.397 3.389 4.183
8 HD2 PRO 1 HD2 PRO 1 14.296 5.770 3.739
9 HD3 PRO 1 HD1 PRO 1 15.867 5.313 3.075
10 H MET 2 HN MET 2 14.104 2.971 -1.243
11 HA MET 2 HA MET 2 11.466 3.482 -1.834
12 HB2 MET 2 HB2 MET 2 13.252 1.320 -2.953
13 HB3 MET 2 HB1 MET 2 11.712 1.792 -3.645
14 HG2 MET 2 HG2 MET 2 13.412 2.829 -4.917
15 HG3 MET 2 HG1 MET 2 12.645 4.081 -3.943
16 HE1 MET 2 HE1 MET 2 15.285 4.640 -5.420
17 HE2 MET 2 HE2 MET 2 16.291 5.381 -4.182
18 HE3 MET 2 HE3 MET 2 14.587 5.810 -4.302
19 H LYS 3 HN LYS 3 12.862 0.687 -0.312
20 HA LYS 3 HA LYS 3 10.733 -1.081 -0.546
21 HB2 LYS 3 HB2 LYS 3 11.699 -2.244 1.440
22 HB3 LYS 3 HB1 LYS 3 12.845 -1.912 0.153
23 HG2 LYS 3 HG2 LYS 3 13.626 0.063 1.452
24 HG3 LYS 3 HG1 LYS 3 12.564 -0.444 2.765
25 HD2 LYS 3 HD2 LYS 3 13.745 -2.549 2.954
26 HD3 LYS 3 HD1 LYS 3 14.755 -2.138 1.571
27 HE2 LYS 3 HE2 LYS 3 15.640 -0.210 2.819
28 HE3 LYS 3 HE1 LYS 3 14.672 -0.674 4.210
29 HZ1 LYS 3 HZ1 LYS 3 16.974 -1.467 4.404
30 HZ2 LYS 3 HZ2 LYS 3 16.820 -2.328 2.985
31 HZ3 LYS 3 HZ3 LYS 3 15.920 -2.767 4.315
32 H LEU 4 HN LEU 4 11.042 1.606 1.658
33 HA LEU 4 HA LEU 4 8.864 0.670 3.309
34 HB2 LEU 4 HB2 LEU 4 10.305 3.323 3.306
35 HB3 LEU 4 HB1 LEU 4 9.094 2.848 4.476
36 HG LEU 4 HG LEU 4 11.812 1.579 4.111
37 HD11 LEU 4 HD11 LEU 4 10.675 3.233 6.353
38 HD12 LEU 4 HD12 LEU 4 11.892 3.757 5.193
39 HD13 LEU 4 HD13 LEU 4 12.263 2.468 6.339
40 HD21 LEU 4 HD21 LEU 4 11.241 0.268 6.120
41 HD22 LEU 4 HD22 LEU 4 10.198 -0.117 4.757
42 HD23 LEU 4 HD23 LEU 4 9.602 0.916 6.060
43 H LEU 5 HN LEU 5 9.385 3.009 0.761
44 HA LEU 5 HA LEU 5 6.771 4.124 0.787
45 HB2 LEU 5 HB2 LEU 5 8.847 3.962 -1.408
46 HB3 LEU 5 HB1 LEU 5 7.301 4.731 -1.643
47 HG LEU 5 HG LEU 5 7.924 6.364 0.168
48 HD11 LEU 5 HD11 LEU 5 10.655 5.140 -0.107
49 HD12 LEU 5 HD12 LEU 5 9.618 5.070 1.317
50 HD13 LEU 5 HD13 LEU 5 10.260 6.620 0.768
51 HD21 LEU 5 HD21 LEU 5 8.096 6.948 -2.170
52 HD22 LEU 5 HD22 LEU 5 9.705 6.233 -2.252
53 HD23 LEU 5 HD23 LEU 5 9.427 7.665 -1.261
54 H LYS 6 HN LYS 6 8.269 1.434 -0.789
55 HA LYS 6 HA LYS 6 6.162 0.615 -2.446
56 HB2 LYS 6 HB2 LYS 6 8.500 -0.152 -2.620
57 HB3 LYS 6 HB1 LYS 6 8.320 -1.028 -1.110
58 HG2 LYS 6 HG2 LYS 6 6.605 -2.442 -2.156
59 HG3 LYS 6 HG1 LYS 6 6.840 -1.571 -3.669
60 HD2 LYS 6 HD2 LYS 6 8.974 -3.136 -2.219
61 HD3 LYS 6 HD1 LYS 6 8.063 -3.712 -3.610
62 HE2 LYS 6 HE2 LYS 6 8.962 -1.779 -4.915
63 HE3 LYS 6 HE1 LYS 6 9.955 -1.366 -3.522
64 HZ1 LYS 6 HZ1 LYS 6 11.194 -2.666 -5.132
65 HZ2 LYS 6 HZ2 LYS 6 10.081 -3.919 -5.019
66 HZ3 LYS 6 HZ3 LYS 6 11.027 -3.527 -3.691
67 H ARG 7 HN ARG 7 7.047 -0.185 0.876
68 HA ARG 7 HA ARG 7 5.062 -2.076 1.430
69 HB2 ARG 7 HB2 ARG 7 6.989 -1.686 2.901
70 HB3 ARG 7 HB1 ARG 7 6.391 -0.085 3.281
71 HG2 ARG 7 HG2 ARG 7 5.955 -1.610 5.114
72 HG3 ARG 7 HG1 ARG 7 4.439 -1.083 4.388
73 HD2 ARG 7 HD2 ARG 7 4.380 -3.464 4.881
74 HD3 ARG 7 HD1 ARG 7 4.302 -3.186 3.141
75 HE ARG 7 HE ARG 7 6.973 -3.568 3.805
76 HH11 ARG 7 HH11 ARG 7 3.985 -5.440 3.795
77 HH12 ARG 7 HH12 ARG 7 4.745 -6.954 3.623
78 HH21 ARG 7 HH21 ARG 7 8.049 -5.659 3.559
79 HH22 ARG 7 HH22 ARG 7 7.112 -7.064 3.500
80 H LEU 8 HN LEU 8 5.073 1.443 1.694
81 HA LEU 8 HA LEU 8 2.465 1.581 2.810
82 HB2 LEU 8 HB2 LEU 8 4.112 3.372 3.108
83 HB3 LEU 8 HB1 LEU 8 4.062 3.706 1.388
84 HG LEU 8 HG LEU 8 1.688 4.363 1.607
85 HD11 LEU 8 HD11 LEU 8 2.169 4.003 4.558
86 HD12 LEU 8 HD12 LEU 8 1.059 3.069 3.551
87 HD13 LEU 8 HD13 LEU 8 0.763 4.783 3.836
88 HD21 LEU 8 HD21 LEU 8 3.619 5.815 3.397
89 HD22 LEU 8 HD22 LEU 8 2.110 6.477 2.765
90 HD23 LEU 8 HD23 LEU 8 3.417 6.050 1.660
91 H GLY 9 HN GLY 9 3.753 1.514 -0.404
92 HA2 GLY 9 HA2 GLY 9 1.760 2.566 -1.972
93 HA3 GLY 9 HA1 GLY 9 2.804 1.240 -2.453
94 H LYS 10 HN LYS 10 2.018 -0.842 -0.997
95 HA LYS 10 HA LYS 10 -0.513 -1.369 -2.192
96 HB2 LYS 10 HB2 LYS 10 -0.474 -3.633 -1.216
97 HB3 LYS 10 HB1 LYS 10 0.997 -3.266 -2.081
98 HG2 LYS 10 HG2 LYS 10 0.848 -2.982 0.907
99 HG3 LYS 10 HG1 LYS 10 1.095 -4.558 0.168
100 HD2 LYS 10 HD2 LYS 10 2.876 -2.144 -0.265
101 HD3 LYS 10 HD1 LYS 10 3.194 -3.440 0.878
102 HE2 LYS 10 HE2 LYS 10 2.937 -3.794 -2.117
103 HE3 LYS 10 HE1 LYS 10 4.449 -3.698 -1.226
104 HZ1 LYS 10 HZ1 LYS 10 2.371 -5.782 -0.814
105 HZ2 LYS 10 HZ2 LYS 10 3.871 -5.738 -0.061
106 HZ3 LYS 10 HZ3 LYS 10 3.763 -5.980 -1.722
107 H LYS 11 HN LYS 11 0.484 -0.512 1.007
108 HA LYS 11 HA LYS 11 -1.892 -1.220 2.348
109 HB2 LYS 11 HB2 LYS 11 0.193 0.838 3.036
110 HB3 LYS 11 HB1 LYS 11 -1.118 0.349 4.097
111 HG2 LYS 11 HG2 LYS 11 -0.241 -1.925 4.153
112 HG3 LYS 11 HG1 LYS 11 1.057 -1.456 3.054
113 HD2 LYS 11 HD2 LYS 11 1.849 -1.504 5.373
114 HD3 LYS 11 HD1 LYS 11 1.900 0.135 4.723
115 HE2 LYS 11 HE2 LYS 11 -0.158 0.685 5.857
116 HE3 LYS 11 HE1 LYS 11 -0.316 -0.973 6.446
117 HZ1 LYS 11 HZ1 LYS 11 0.536 0.487 8.143
118 HZ2 LYS 11 HZ2 LYS 11 1.792 0.993 7.155
119 HZ3 LYS 11 HZ3 LYS 11 1.750 -0.602 7.704
120 H ILE 12 HN ILE 12 -0.836 1.843 0.887
121 HA ILE 12 HA ILE 12 -3.123 3.249 1.799
122 HB ILE 12 HB ILE 12 -1.013 4.428 1.287
123 HG12 ILE 12 HG12 ILE 12 -3.324 5.412 -0.409
124 HG13 ILE 12 HG11 ILE 12 -3.143 5.683 1.319
125 HG21 ILE 12 HG21 ILE 12 -1.627 3.854 -1.605
126 HG22 ILE 12 HG22 ILE 12 -0.272 3.221 -0.675
127 HG23 ILE 12 HG23 ILE 12 -0.368 4.948 -1.032
128 HD11 ILE 12 HD11 ILE 12 -2.527 7.657 0.039
129 HD12 ILE 12 HD12 ILE 12 -1.312 6.724 -0.838
130 HD13 ILE 12 HD13 ILE 12 -1.129 7.004 0.893
131 H ARG 13 HN ARG 13 -2.363 1.637 -1.209
132 HA ARG 13 HA ARG 13 -4.733 2.549 -2.506
133 HB2 ARG 13 HB2 ARG 13 -4.274 0.943 -4.282
134 HB3 ARG 13 HB1 ARG 13 -2.803 1.781 -3.834
135 HG2 ARG 13 HG2 ARG 13 -2.162 -0.186 -2.479
136 HG3 ARG 13 HG1 ARG 13 -3.587 -1.026 -3.089
137 HD2 ARG 13 HD2 ARG 13 -1.658 -1.671 -4.403
138 HD3 ARG 13 HD1 ARG 13 -2.753 -0.695 -5.385
139 HE ARG 13 HE ARG 13 -0.930 1.044 -4.263
140 HH11 ARG 13 HH11 ARG 13 -0.861 -1.631 -6.584
141 HH12 ARG 13 HH12 ARG 13 0.524 -1.090 -7.398
142 HH21 ARG 13 HH21 ARG 13 0.905 1.827 -5.391
143 HH22 ARG 13 HH22 ARG 13 1.580 0.961 -6.703
144 H LEU 14 HN LEU 14 -3.980 -0.209 -0.502
145 HA LEU 14 HA LEU 14 -6.419 -1.583 -0.931
146 HB2 LEU 14 HB2 LEU 14 -4.416 -2.667 -0.006
147 HB3 LEU 14 HB1 LEU 14 -4.512 -1.646 1.409
148 HG LEU 14 HG LEU 14 -6.651 -2.732 2.021
149 HD11 LEU 14 HD11 LEU 14 -6.061 -4.536 -0.322
150 HD12 LEU 14 HD12 LEU 14 -7.413 -3.409 -0.185
151 HD13 LEU 14 HD13 LEU 14 -7.312 -4.801 0.891
152 HD21 LEU 14 HD21 LEU 14 -4.327 -4.601 1.586
153 HD22 LEU 14 HD22 LEU 14 -5.673 -4.873 2.690
154 HD23 LEU 14 HD23 LEU 14 -4.564 -3.530 2.969
155 H ALA 15 HN ALA 15 -5.311 0.851 1.345
156 HA ALA 15 HA ALA 15 -7.568 0.921 3.021
157 HB1 ALA 15 HB1 ALA 15 -5.418 1.980 3.594
158 HB2 ALA 15 HB2 ALA 15 -6.760 3.115 3.722
159 HB3 ALA 15 HB3 ALA 15 -5.682 3.178 2.328
160 H ALA 16 HN ALA 16 -6.750 2.673 0.082
161 HA ALA 16 HA ALA 16 -9.056 4.274 -0.034
162 HB1 ALA 16 HB1 ALA 16 -8.475 4.631 -2.382
163 HB2 ALA 16 HB2 ALA 16 -7.339 3.283 -2.312
164 HB3 ALA 16 HB3 ALA 16 -7.041 4.736 -1.359
165 H ALA 17 HN ALA 17 -8.342 1.069 -1.327
166 HA ALA 17 HA ALA 17 -10.773 0.754 -2.739
167 HB1 ALA 17 HB1 ALA 17 -8.791 -0.605 -3.210
168 HB2 ALA 17 HB2 ALA 17 -10.193 -1.614 -2.860
169 HB3 ALA 17 HB3 ALA 17 -8.948 -1.377 -1.634
170 H PHE 18 HN PHE 18 -9.850 0.259 0.549
171 HA PHE 18 HA PHE 18 -11.989 -1.382 1.375
172 HB2 PHE 18 HB2 PHE 18 -9.839 -1.126 2.599
173 HB3 PHE 18 HB1 PHE 18 -10.291 0.515 3.019
174 HD1 PHE 18 HD1 PHE 18 -11.416 0.913 5.026
175 HD2 PHE 18 HD2 PHE 18 -11.413 -3.010 3.379
176 HE1 PHE 18 HE1 PHE 18 -12.499 0.056 7.058
177 HE2 PHE 18 HE2 PHE 18 -12.496 -3.860 5.409
178 HZ PHE 18 HZ PHE 18 -13.040 -2.329 7.251
179 H LYS 19 HN LYS 19 -11.721 2.073 0.895
180 HA LYS 19 HA LYS 19 -14.309 2.468 2.178
181 HB2 LYS 19 HB2 LYS 19 -12.164 4.402 1.316
182 HB3 LYS 19 HB1 LYS 19 -13.807 4.947 1.584
183 HG2 LYS 19 HG2 LYS 19 -12.519 5.407 3.541
184 HG3 LYS 19 HG1 LYS 19 -13.651 4.118 3.917
185 HD2 LYS 19 HD2 LYS 19 -11.837 2.480 3.615
186 HD3 LYS 19 HD1 LYS 19 -10.716 3.801 3.295
187 HE2 LYS 19 HE2 LYS 19 -12.264 3.374 5.855
188 HE3 LYS 19 HE1 LYS 19 -10.553 3.034 5.606
189 HZ1 LYS 19 HZ1 LYS 19 -10.885 5.166 6.714
190 HZ2 LYS 19 HZ2 LYS 19 -11.819 5.716 5.444
191 HZ3 LYS 19 HZ3 LYS 19 -10.190 5.392 5.202
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 13.490 6.127 -1.467
2 H3 PRO 1 HT2 PRO 1 13.431 6.820 0.016
3 HA PRO 1 HA PRO 1 14.250 4.482 -0.092
4 HB2 PRO 1 HB2 PRO 1 11.857 4.023 1.454
5 HB3 PRO 1 HB1 PRO 1 13.510 4.291 2.024
6 HG2 PRO 1 HG2 PRO 1 11.504 6.118 2.366
7 HG3 PRO 1 HG1 PRO 1 13.212 6.557 2.243
8 HD2 PRO 1 HD2 PRO 1 11.039 6.714 0.241
9 HD3 PRO 1 HD1 PRO 1 12.345 7.852 0.508
10 H MET 2 HN MET 2 14.036 2.607 -1.234
11 HA MET 2 HA MET 2 11.920 2.375 -3.093
12 HB2 MET 2 HB2 MET 2 14.108 0.432 -2.377
13 HB3 MET 2 HB1 MET 2 12.908 0.108 -3.608
14 HG2 MET 2 HG2 MET 2 14.895 0.838 -4.681
15 HG3 MET 2 HG1 MET 2 13.709 2.127 -4.826
16 HE1 MET 2 HE1 MET 2 15.652 3.781 -5.558
17 HE2 MET 2 HE2 MET 2 16.824 2.473 -5.396
18 HE3 MET 2 HE3 MET 2 17.126 4.029 -4.622
19 H LYS 3 HN LYS 3 12.621 0.508 -0.137
20 HA LYS 3 HA LYS 3 10.503 -1.321 -0.778
21 HB2 LYS 3 HB2 LYS 3 12.180 -1.062 1.691
22 HB3 LYS 3 HB1 LYS 3 11.015 -2.347 1.405
23 HG2 LYS 3 HG2 LYS 3 12.312 -3.076 -0.528
24 HG3 LYS 3 HG1 LYS 3 13.476 -1.780 -0.229
25 HD2 LYS 3 HD2 LYS 3 13.976 -2.717 1.962
26 HD3 LYS 3 HD1 LYS 3 12.787 -3.992 1.698
27 HE2 LYS 3 HE2 LYS 3 14.078 -4.790 -0.215
28 HE3 LYS 3 HE1 LYS 3 15.270 -3.521 0.062
29 HZ1 LYS 3 HZ1 LYS 3 14.591 -5.682 1.975
30 HZ2 LYS 3 HZ2 LYS 3 15.785 -4.493 2.194
31 HZ3 LYS 3 HZ3 LYS 3 15.943 -5.641 0.972
32 H LEU 4 HN LEU 4 10.979 0.790 2.059
33 HA LEU 4 HA LEU 4 8.434 0.222 3.041
34 HB2 LEU 4 HB2 LEU 4 8.656 2.144 4.596
35 HB3 LEU 4 HB1 LEU 4 9.962 0.990 4.655
36 HG LEU 4 HG LEU 4 10.330 3.467 3.011
37 HD11 LEU 4 HD11 LEU 4 9.400 4.203 5.195
38 HD12 LEU 4 HD12 LEU 4 11.083 4.657 4.974
39 HD13 LEU 4 HD13 LEU 4 10.673 3.289 6.010
40 HD21 LEU 4 HD21 LEU 4 12.016 1.685 3.025
41 HD22 LEU 4 HD22 LEU 4 12.130 1.818 4.778
42 HD23 LEU 4 HD23 LEU 4 12.618 3.169 3.755
43 H LEU 5 HN LEU 5 9.340 2.704 0.784
44 HA LEU 5 HA LEU 5 6.948 4.207 1.093
45 HB2 LEU 5 HB2 LEU 5 8.923 5.142 -0.020
46 HB3 LEU 5 HB1 LEU 5 8.743 3.981 -1.320
47 HG LEU 5 HG LEU 5 6.506 5.008 -1.817
48 HD11 LEU 5 HD11 LEU 5 6.053 7.247 -0.989
49 HD12 LEU 5 HD12 LEU 5 7.474 7.152 0.047
50 HD13 LEU 5 HD13 LEU 5 6.105 6.075 0.330
51 HD21 LEU 5 HD21 LEU 5 8.905 6.806 -2.021
52 HD22 LEU 5 HD22 LEU 5 7.436 6.923 -2.990
53 HD23 LEU 5 HD23 LEU 5 8.482 5.511 -3.141
54 H LYS 6 HN LYS 6 7.847 1.448 -0.905
55 HA LYS 6 HA LYS 6 5.387 1.543 -2.379
56 HB2 LYS 6 HB2 LYS 6 7.492 -0.618 -2.255
57 HB3 LYS 6 HB1 LYS 6 6.150 -0.577 -3.387
58 HG2 LYS 6 HG2 LYS 6 8.408 1.413 -3.230
59 HG3 LYS 6 HG1 LYS 6 8.216 0.151 -4.441
60 HD2 LYS 6 HD2 LYS 6 6.164 1.221 -5.233
61 HD3 LYS 6 HD1 LYS 6 6.338 2.475 -4.002
62 HE2 LYS 6 HE2 LYS 6 8.462 3.150 -4.973
63 HE3 LYS 6 HE1 LYS 6 8.321 1.886 -6.190
64 HZ1 LYS 6 HZ1 LYS 6 6.349 2.984 -7.044
65 HZ2 LYS 6 HZ2 LYS 6 7.656 4.053 -7.037
66 HZ3 LYS 6 HZ3 LYS 6 6.469 4.176 -5.862
67 H ARG 7 HN ARG 7 6.640 -0.138 0.404
68 HA ARG 7 HA ARG 7 4.452 -1.934 0.660
69 HB2 ARG 7 HB2 ARG 7 6.239 -0.836 2.845
70 HB3 ARG 7 HB1 ARG 7 5.179 -2.227 2.992
71 HG2 ARG 7 HG2 ARG 7 6.509 -3.357 1.231
72 HG3 ARG 7 HG1 ARG 7 7.614 -1.984 1.253
73 HD2 ARG 7 HD2 ARG 7 8.497 -3.739 2.629
74 HD3 ARG 7 HD1 ARG 7 8.013 -2.389 3.656
75 HE ARG 7 HE ARG 7 5.887 -4.191 3.416
76 HH11 ARG 7 HH11 ARG 7 9.037 -3.987 4.988
77 HH12 ARG 7 HH12 ARG 7 8.675 -5.145 6.184
78 HH21 ARG 7 HH21 ARG 7 5.375 -5.744 5.041
79 HH22 ARG 7 HH22 ARG 7 6.519 -6.185 6.214
80 H LEU 8 HN LEU 8 5.161 1.265 1.991
81 HA LEU 8 HA LEU 8 2.820 1.687 3.432
82 HB2 LEU 8 HB2 LEU 8 4.756 3.179 3.514
83 HB3 LEU 8 HB1 LEU 8 4.494 3.633 1.846
84 HG LEU 8 HG LEU 8 2.313 4.638 2.532
85 HD11 LEU 8 HD11 LEU 8 1.932 3.388 4.569
86 HD12 LEU 8 HD12 LEU 8 1.952 5.121 4.896
87 HD13 LEU 8 HD13 LEU 8 3.351 4.130 5.310
88 HD21 LEU 8 HD21 LEU 8 4.310 5.991 2.204
89 HD22 LEU 8 HD22 LEU 8 4.775 5.714 3.884
90 HD23 LEU 8 HD23 LEU 8 3.311 6.624 3.511
91 H GLY 9 HN GLY 9 3.621 2.315 0.053
92 HA2 GLY 9 HA2 GLY 9 1.209 3.435 -0.799
93 HA3 GLY 9 HA1 GLY 9 2.350 2.580 -1.826
94 H LYS 10 HN LYS 10 2.192 0.073 -0.553
95 HA LYS 10 HA LYS 10 -0.007 -1.117 -1.810
96 HB2 LYS 10 HB2 LYS 10 2.118 -2.267 -1.226
97 HB3 LYS 10 HB1 LYS 10 1.686 -2.168 0.470
98 HG2 LYS 10 HG2 LYS 10 -0.247 -3.619 0.049
99 HG3 LYS 10 HG1 LYS 10 0.220 -3.725 -1.651
100 HD2 LYS 10 HD2 LYS 10 2.366 -4.710 -0.997
101 HD3 LYS 10 HD1 LYS 10 1.894 -4.619 0.701
102 HE2 LYS 10 HE2 LYS 10 -0.019 -6.112 0.193
103 HE3 LYS 10 HE1 LYS 10 0.562 -6.243 -1.463
104 HZ1 LYS 10 HZ1 LYS 10 2.096 -7.060 0.940
105 HZ2 LYS 10 HZ2 LYS 10 2.569 -7.289 -0.666
106 HZ3 LYS 10 HZ3 LYS 10 1.238 -8.101 -0.051
107 H LYS 11 HN LYS 11 0.545 -0.093 1.519
108 HA LYS 11 HA LYS 11 -1.966 -1.029 2.523
109 HB2 LYS 11 HB2 LYS 11 -0.080 1.058 3.640
110 HB3 LYS 11 HB1 LYS 11 -1.447 0.375 4.503
111 HG2 LYS 11 HG2 LYS 11 0.959 -1.166 3.540
112 HG3 LYS 11 HG1 LYS 11 0.689 -0.611 5.191
113 HD2 LYS 11 HD2 LYS 11 -1.353 -1.988 5.296
114 HD3 LYS 11 HD1 LYS 11 -1.033 -2.573 3.662
115 HE2 LYS 11 HE2 LYS 11 1.088 -3.526 4.425
116 HE3 LYS 11 HE1 LYS 11 0.764 -2.947 6.056
117 HZ1 LYS 11 HZ1 LYS 11 0.172 -5.280 5.834
118 HZ2 LYS 11 HZ2 LYS 11 -0.852 -4.938 4.559
119 HZ3 LYS 11 HZ3 LYS 11 -1.228 -4.383 6.086
120 H ILE 12 HN ILE 12 -0.774 2.024 1.287
121 HA ILE 12 HA ILE 12 -2.995 3.662 1.836
122 HB ILE 12 HB ILE 12 -1.063 3.836 -0.495
123 HG12 ILE 12 HG12 ILE 12 0.100 3.993 1.644
124 HG13 ILE 12 HG11 ILE 12 0.110 5.546 0.826
125 HG21 ILE 12 HG21 ILE 12 -1.703 6.178 -0.710
126 HG22 ILE 12 HG22 ILE 12 -2.916 5.965 0.551
127 HG23 ILE 12 HG23 ILE 12 -3.073 5.101 -0.978
128 HD11 ILE 12 HD11 ILE 12 -1.673 4.760 3.124
129 HD12 ILE 12 HD12 ILE 12 -1.675 6.321 2.303
130 HD13 ILE 12 HD13 ILE 12 -0.252 5.803 3.204
131 H ARG 13 HN ARG 13 -2.209 1.791 -1.078
132 HA ARG 13 HA ARG 13 -4.628 2.488 -2.383
133 HB2 ARG 13 HB2 ARG 13 -4.081 0.766 -4.049
134 HB3 ARG 13 HB1 ARG 13 -2.705 1.796 -3.705
135 HG2 ARG 13 HG2 ARG 13 -1.688 0.069 -2.390
136 HG3 ARG 13 HG1 ARG 13 -3.118 -0.952 -2.560
137 HD2 ARG 13 HD2 ARG 13 -1.367 -0.007 -4.830
138 HD3 ARG 13 HD1 ARG 13 -1.307 -1.613 -4.102
139 HE ARG 13 HE ARG 13 -3.925 -0.944 -4.972
140 HH11 ARG 13 HH11 ARG 13 -0.811 -1.966 -6.289
141 HH12 ARG 13 HH12 ARG 13 -1.511 -2.918 -7.523
142 HH21 ARG 13 HH21 ARG 13 -4.855 -2.202 -6.732
143 HH22 ARG 13 HH22 ARG 13 -3.828 -3.039 -7.789
144 H LEU 14 HN LEU 14 -3.728 -0.082 -0.230
145 HA LEU 14 HA LEU 14 -5.948 -1.750 -0.619
146 HB2 LEU 14 HB2 LEU 14 -3.950 -2.428 0.638
147 HB3 LEU 14 HB1 LEU 14 -4.337 -1.262 1.884
148 HG LEU 14 HG LEU 14 -6.422 -2.532 2.360
149 HD11 LEU 14 HD11 LEU 14 -5.247 -4.548 0.453
150 HD12 LEU 14 HD12 LEU 14 -6.736 -3.628 0.222
151 HD13 LEU 14 HD13 LEU 14 -6.626 -4.820 1.516
152 HD21 LEU 14 HD21 LEU 14 -3.842 -4.070 2.573
153 HD22 LEU 14 HD22 LEU 14 -5.304 -4.367 3.514
154 HD23 LEU 14 HD23 LEU 14 -4.429 -2.846 3.701
155 H ALA 15 HN ALA 15 -5.379 0.938 1.607
156 HA ALA 15 HA ALA 15 -7.896 0.852 2.851
157 HB1 ALA 15 HB1 ALA 15 -7.376 3.101 3.658
158 HB2 ALA 15 HB2 ALA 15 -6.047 3.212 2.502
159 HB3 ALA 15 HB3 ALA 15 -5.980 2.034 3.810
160 H ALA 16 HN ALA 16 -6.787 2.439 -0.064
161 HA ALA 16 HA ALA 16 -9.104 4.051 -0.461
162 HB1 ALA 16 HB1 ALA 16 -6.947 4.567 -1.509
163 HB2 ALA 16 HB2 ALA 16 -8.232 4.418 -2.709
164 HB3 ALA 16 HB3 ALA 16 -7.078 3.104 -2.483
165 H ALA 17 HN ALA 17 -8.205 0.822 -1.407
166 HA ALA 17 HA ALA 17 -10.545 0.448 -3.048
167 HB1 ALA 17 HB1 ALA 17 -8.447 -0.665 -3.622
168 HB2 ALA 17 HB2 ALA 17 -9.731 -1.838 -3.325
169 HB3 ALA 17 HB3 ALA 17 -8.497 -1.550 -2.097
170 H PHE 18 HN PHE 18 -9.632 -0.002 0.217
171 HA PHE 18 HA PHE 18 -11.402 -2.017 1.018
172 HB2 PHE 18 HB2 PHE 18 -9.378 -1.143 2.258
173 HB3 PHE 18 HB1 PHE 18 -10.344 0.245 2.719
174 HD1 PHE 18 HD1 PHE 18 -11.938 0.092 4.514
175 HD2 PHE 18 HD2 PHE 18 -9.908 -3.376 3.106
176 HE1 PHE 18 HE1 PHE 18 -12.688 -1.160 6.497
177 HE2 PHE 18 HE2 PHE 18 -10.667 -4.624 5.081
178 HZ PHE 18 HZ PHE 18 -12.055 -3.511 6.781
179 H LYS 19 HN LYS 19 -11.758 1.474 0.812
180 HA LYS 19 HA LYS 19 -14.392 1.414 1.981
181 HB2 LYS 19 HB2 LYS 19 -12.737 3.623 0.781
182 HB3 LYS 19 HB1 LYS 19 -14.431 3.870 1.150
183 HG2 LYS 19 HG2 LYS 19 -13.105 4.766 2.926
184 HG3 LYS 19 HG1 LYS 19 -13.935 3.329 3.517
185 HD2 LYS 19 HD2 LYS 19 -11.891 2.036 3.253
186 HD3 LYS 19 HD1 LYS 19 -11.066 3.451 2.604
187 HE2 LYS 19 HE2 LYS 19 -12.221 3.183 5.375
188 HE3 LYS 19 HE1 LYS 19 -10.513 3.103 4.948
189 HZ1 LYS 19 HZ1 LYS 19 -12.292 5.466 4.660
190 HZ2 LYS 19 HZ2 LYS 19 -10.689 5.413 4.140
191 HZ3 LYS 19 HZ3 LYS 19 -11.051 5.278 5.778
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 16.803 0.169 2.750
2 H3 PRO 1 HT2 PRO 1 15.249 0.891 3.128
3 HA PRO 1 HA PRO 1 16.091 -0.015 0.446
4 HB2 PRO 1 HB2 PRO 1 14.045 -1.661 1.700
5 HB3 PRO 1 HB1 PRO 1 15.537 -2.151 0.884
6 HG2 PRO 1 HG2 PRO 1 15.225 -2.349 3.568
7 HG3 PRO 1 HG1 PRO 1 16.795 -2.041 2.809
8 HD2 PRO 1 HD2 PRO 1 14.919 -0.185 4.163
9 HD3 PRO 1 HD1 PRO 1 16.670 -0.209 4.271
10 H MET 2 HN MET 2 14.732 0.691 -1.041
11 HA MET 2 HA MET 2 12.738 2.565 -0.268
12 HB2 MET 2 HB2 MET 2 13.383 1.520 -3.020
13 HB3 MET 2 HB1 MET 2 12.351 2.895 -2.668
14 HG2 MET 2 HG2 MET 2 15.314 2.648 -2.224
15 HG3 MET 2 HG1 MET 2 14.462 3.744 -3.312
16 HE1 MET 2 HE1 MET 2 12.918 5.786 -2.431
17 HE2 MET 2 HE2 MET 2 12.704 6.161 -0.719
18 HE3 MET 2 HE3 MET 2 12.034 4.676 -1.382
19 H LYS 3 HN LYS 3 12.718 -0.733 -1.069
20 HA LYS 3 HA LYS 3 10.108 -1.148 -1.946
21 HB2 LYS 3 HB2 LYS 3 11.811 -2.922 -0.202
22 HB3 LYS 3 HB1 LYS 3 10.336 -3.440 -1.002
23 HG2 LYS 3 HG2 LYS 3 11.359 -2.945 -3.169
24 HG3 LYS 3 HG1 LYS 3 12.840 -2.469 -2.350
25 HD2 LYS 3 HD2 LYS 3 13.061 -4.721 -1.426
26 HD3 LYS 3 HD1 LYS 3 11.564 -5.196 -2.231
27 HE2 LYS 3 HE2 LYS 3 12.561 -4.724 -4.395
28 HE3 LYS 3 HE1 LYS 3 14.053 -4.214 -3.609
29 HZ1 LYS 3 HZ1 LYS 3 14.198 -6.465 -4.441
30 HZ2 LYS 3 HZ2 LYS 3 12.883 -6.936 -3.503
31 HZ3 LYS 3 HZ3 LYS 3 14.318 -6.460 -2.762
32 H LEU 4 HN LEU 4 11.298 -0.512 1.252
33 HA LEU 4 HA LEU 4 8.976 -1.345 2.661
34 HB2 LEU 4 HB2 LEU 4 11.023 0.692 3.529
35 HB3 LEU 4 HB1 LEU 4 9.930 -0.202 4.558
36 HG LEU 4 HG LEU 4 12.291 -1.303 3.045
37 HD11 LEU 4 HD11 LEU 4 13.169 -1.768 5.262
38 HD12 LEU 4 HD12 LEU 4 11.758 -0.991 5.981
39 HD13 LEU 4 HD13 LEU 4 12.885 -0.046 5.008
40 HD21 LEU 4 HD21 LEU 4 10.315 -2.766 4.801
41 HD22 LEU 4 HD22 LEU 4 11.809 -3.443 4.152
42 HD23 LEU 4 HD23 LEU 4 10.508 -2.971 3.059
43 H LEU 5 HN LEU 5 10.023 1.635 1.157
44 HA LEU 5 HA LEU 5 7.906 3.235 2.243
45 HB2 LEU 5 HB2 LEU 5 9.851 3.772 -0.015
46 HB3 LEU 5 HB1 LEU 5 8.647 4.921 0.514
47 HG LEU 5 HG LEU 5 10.729 5.604 1.391
48 HD11 LEU 5 HD11 LEU 5 8.903 5.933 2.897
49 HD12 LEU 5 HD12 LEU 5 10.388 5.609 3.785
50 HD13 LEU 5 HD13 LEU 5 9.171 4.346 3.620
51 HD21 LEU 5 HD21 LEU 5 11.065 2.833 2.525
52 HD22 LEU 5 HD22 LEU 5 12.101 4.211 2.893
53 HD23 LEU 5 HD23 LEU 5 12.024 3.587 1.247
54 H LYS 6 HN LYS 6 8.472 1.341 -0.606
55 HA LYS 6 HA LYS 6 6.335 2.191 -2.207
56 HB2 LYS 6 HB2 LYS 6 7.501 -0.583 -1.943
57 HB3 LYS 6 HB1 LYS 6 6.408 -0.090 -3.217
58 HG2 LYS 6 HG2 LYS 6 9.211 0.901 -2.742
59 HG3 LYS 6 HG1 LYS 6 8.647 -0.151 -4.041
60 HD2 LYS 6 HD2 LYS 6 7.123 1.752 -4.732
61 HD3 LYS 6 HD1 LYS 6 8.030 2.759 -3.608
62 HE2 LYS 6 HE2 LYS 6 8.968 3.059 -5.791
63 HE3 LYS 6 HE1 LYS 6 10.114 2.141 -4.817
64 HZ1 LYS 6 HZ1 LYS 6 8.273 1.038 -6.876
65 HZ2 LYS 6 HZ2 LYS 6 9.231 0.098 -5.887
66 HZ3 LYS 6 HZ3 LYS 6 9.946 1.134 -6.997
67 H ARG 7 HN ARG 7 6.503 -0.046 0.437
68 HA ARG 7 HA ARG 7 3.919 -1.148 0.303
69 HB2 ARG 7 HB2 ARG 7 5.583 -0.669 2.761
70 HB3 ARG 7 HB1 ARG 7 4.219 -1.765 2.638
71 HG2 ARG 7 HG2 ARG 7 5.457 -3.080 0.985
72 HG3 ARG 7 HG1 ARG 7 6.839 -1.998 1.186
73 HD2 ARG 7 HD2 ARG 7 5.593 -3.790 3.259
74 HD3 ARG 7 HD1 ARG 7 7.182 -3.938 2.508
75 HE ARG 7 HE ARG 7 6.925 -1.446 3.788
76 HH11 ARG 7 HH11 ARG 7 7.471 -4.875 4.451
77 HH12 ARG 7 HH12 ARG 7 8.275 -4.620 5.921
78 HH21 ARG 7 HH21 ARG 7 8.046 -1.079 5.853
79 HH22 ARG 7 HH22 ARG 7 8.615 -2.412 6.722
80 H LEU 8 HN LEU 8 5.095 1.872 1.586
81 HA LEU 8 HA LEU 8 2.812 2.457 3.181
82 HB2 LEU 8 HB2 LEU 8 4.825 4.345 1.954
83 HB3 LEU 8 HB1 LEU 8 3.658 4.765 3.191
84 HG LEU 8 HG LEU 8 5.969 2.848 3.519
85 HD11 LEU 8 HD11 LEU 8 6.873 4.561 5.001
86 HD12 LEU 8 HD12 LEU 8 5.517 5.616 4.607
87 HD13 LEU 8 HD13 LEU 8 6.676 5.165 3.357
88 HD21 LEU 8 HD21 LEU 8 3.926 3.827 5.516
89 HD22 LEU 8 HD22 LEU 8 5.366 2.891 5.904
90 HD23 LEU 8 HD23 LEU 8 4.096 2.175 4.915
91 H GLY 9 HN GLY 9 3.726 2.987 -0.130
92 HA2 GLY 9 HA2 GLY 9 1.413 4.547 -0.783
93 HA3 GLY 9 HA1 GLY 9 2.541 3.817 -1.929
94 H LYS 10 HN LYS 10 2.281 1.190 -0.755
95 HA LYS 10 HA LYS 10 0.046 0.309 -2.246
96 HB2 LYS 10 HB2 LYS 10 2.094 -1.059 -2.041
97 HB3 LYS 10 HB1 LYS 10 1.772 -1.270 -0.325
98 HG2 LYS 10 HG2 LYS 10 -0.264 -2.484 -0.823
99 HG3 LYS 10 HG1 LYS 10 -0.030 -2.214 -2.546
100 HD2 LYS 10 HD2 LYS 10 2.018 -3.535 -2.484
101 HD3 LYS 10 HD1 LYS 10 1.824 -3.768 -0.743
102 HE2 LYS 10 HE2 LYS 10 -0.279 -4.935 -1.119
103 HE3 LYS 10 HE1 LYS 10 -0.139 -4.667 -2.852
104 HZ1 LYS 10 HZ1 LYS 10 0.539 -6.892 -2.217
105 HZ2 LYS 10 HZ2 LYS 10 1.751 -6.302 -1.222
106 HZ3 LYS 10 HZ3 LYS 10 1.821 -6.050 -2.884
107 H LYS 11 HN LYS 11 0.609 0.820 1.211
108 HA LYS 11 HA LYS 11 -1.752 -0.369 2.153
109 HB2 LYS 11 HB2 LYS 11 -0.382 2.086 3.250
110 HB3 LYS 11 HB1 LYS 11 -1.658 1.214 4.078
111 HG2 LYS 11 HG2 LYS 11 -0.126 -0.802 4.032
112 HG3 LYS 11 HG1 LYS 11 1.148 0.299 3.498
113 HD2 LYS 11 HD2 LYS 11 -0.441 0.506 6.069
114 HD3 LYS 11 HD1 LYS 11 1.235 -0.011 5.922
115 HE2 LYS 11 HE2 LYS 11 1.882 2.194 5.153
116 HE3 LYS 11 HE1 LYS 11 0.199 2.713 5.140
117 HZ1 LYS 11 HZ1 LYS 11 1.344 3.501 7.110
118 HZ2 LYS 11 HZ2 LYS 11 1.737 1.943 7.571
119 HZ3 LYS 11 HZ3 LYS 11 0.132 2.432 7.539
120 H ILE 12 HN ILE 12 -1.235 2.614 0.524
121 HA ILE 12 HA ILE 12 -3.653 3.921 1.119
122 HB ILE 12 HB ILE 12 -1.924 4.141 -1.368
123 HG12 ILE 12 HG12 ILE 12 -1.968 5.836 1.144
124 HG13 ILE 12 HG11 ILE 12 -0.727 4.664 0.725
125 HG21 ILE 12 HG21 ILE 12 -4.169 5.019 -1.773
126 HG22 ILE 12 HG22 ILE 12 -2.987 6.325 -1.707
127 HG23 ILE 12 HG23 ILE 12 -4.042 6.022 -0.328
128 HD11 ILE 12 HD11 ILE 12 -1.371 7.192 -0.781
129 HD12 ILE 12 HD12 ILE 12 -0.140 6.020 -1.238
130 HD13 ILE 12 HD13 ILE 12 0.021 6.924 0.268
131 H ARG 13 HN ARG 13 -2.743 1.783 -1.605
132 HA ARG 13 HA ARG 13 -5.354 1.913 -2.731
133 HB2 ARG 13 HB2 ARG 13 -4.732 0.041 -4.208
134 HB3 ARG 13 HB1 ARG 13 -3.522 1.309 -4.211
135 HG2 ARG 13 HG2 ARG 13 -2.026 -0.010 -2.935
136 HG3 ARG 13 HG1 ARG 13 -3.285 -1.193 -2.573
137 HD2 ARG 13 HD2 ARG 13 -2.210 -0.598 -5.328
138 HD3 ARG 13 HD1 ARG 13 -1.746 -1.981 -4.325
139 HE ARG 13 HE ARG 13 -4.419 -2.121 -4.404
140 HH11 ARG 13 HH11 ARG 13 -1.994 -1.993 -7.000
141 HH12 ARG 13 HH12 ARG 13 -2.938 -2.890 -8.084
142 HH21 ARG 13 HH21 ARG 13 -5.686 -3.345 -5.915
143 HH22 ARG 13 HH22 ARG 13 -5.083 -3.651 -7.472
144 H LEU 14 HN LEU 14 -3.922 -0.192 -0.365
145 HA LEU 14 HA LEU 14 -6.075 -2.037 -0.300
146 HB2 LEU 14 HB2 LEU 14 -3.889 -1.362 1.628
147 HB3 LEU 14 HB1 LEU 14 -5.252 -2.284 2.209
148 HG LEU 14 HG LEU 14 -3.420 -3.753 1.689
149 HD11 LEU 14 HD11 LEU 14 -5.620 -4.040 -0.338
150 HD12 LEU 14 HD12 LEU 14 -5.645 -4.603 1.333
151 HD13 LEU 14 HD13 LEU 14 -4.506 -5.301 0.185
152 HD21 LEU 14 HD21 LEU 14 -2.559 -4.037 -0.576
153 HD22 LEU 14 HD22 LEU 14 -2.274 -2.395 0.013
154 HD23 LEU 14 HD23 LEU 14 -3.579 -2.710 -1.130
155 H ALA 15 HN ALA 15 -5.502 1.016 1.286
156 HA ALA 15 HA ALA 15 -7.737 0.860 3.031
157 HB1 ALA 15 HB1 ALA 15 -7.322 3.220 3.448
158 HB2 ALA 15 HB2 ALA 15 -6.263 3.294 2.041
159 HB3 ALA 15 HB3 ALA 15 -5.798 2.328 3.438
160 H ALA 16 HN ALA 16 -7.187 2.349 -0.103
161 HA ALA 16 HA ALA 16 -9.742 3.536 -0.341
162 HB1 ALA 16 HB1 ALA 16 -7.789 4.296 -1.589
163 HB2 ALA 16 HB2 ALA 16 -9.144 3.919 -2.659
164 HB3 ALA 16 HB3 ALA 16 -7.797 2.791 -2.508
165 H ALA 17 HN ALA 17 -8.538 0.357 -1.130
166 HA ALA 17 HA ALA 17 -10.894 -0.315 -2.654
167 HB1 ALA 17 HB1 ALA 17 -9.919 -2.534 -2.834
168 HB2 ALA 17 HB2 ALA 17 -8.680 -2.097 -1.654
169 HB3 ALA 17 HB3 ALA 17 -8.723 -1.299 -3.224
170 H PHE 18 HN PHE 18 -9.842 -0.464 0.603
171 HA PHE 18 HA PHE 18 -11.550 -2.525 1.486
172 HB2 PHE 18 HB2 PHE 18 -9.574 -1.853 2.761
173 HB3 PHE 18 HB1 PHE 18 -10.276 -0.266 3.042
174 HD1 PHE 18 HD1 PHE 18 -11.324 -3.827 3.452
175 HD2 PHE 18 HD2 PHE 18 -11.073 0.056 5.172
176 HE1 PHE 18 HE1 PHE 18 -12.339 -4.680 5.513
177 HE2 PHE 18 HE2 PHE 18 -12.096 -0.791 7.235
178 HZ PHE 18 HZ PHE 18 -12.729 -3.164 7.408
179 H LYS 19 HN LYS 19 -11.940 1.049 1.328
180 HA LYS 19 HA LYS 19 -14.466 0.890 2.556
181 HB2 LYS 19 HB2 LYS 19 -14.540 3.297 1.799
182 HB3 LYS 19 HB1 LYS 19 -13.248 2.861 2.909
183 HG2 LYS 19 HG2 LYS 19 -11.723 2.645 0.940
184 HG3 LYS 19 HG1 LYS 19 -13.034 3.278 -0.054
185 HD2 LYS 19 HD2 LYS 19 -11.777 4.645 2.290
186 HD3 LYS 19 HD1 LYS 19 -11.406 4.904 0.582
187 HE2 LYS 19 HE2 LYS 19 -14.107 5.342 1.879
188 HE3 LYS 19 HE1 LYS 19 -12.911 6.580 1.522
189 HZ1 LYS 19 HZ1 LYS 19 -13.146 6.067 -0.857
190 HZ2 LYS 19 HZ2 LYS 19 -14.620 6.494 -0.184
191 HZ3 LYS 19 HZ3 LYS 19 -14.308 4.890 -0.503
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 15.642 3.328 0.992
2 H3 PRO 1 HT2 PRO 1 15.459 1.682 0.740
3 HA PRO 1 HA PRO 1 14.052 1.371 2.561
4 HB2 PRO 1 HB2 PRO 1 13.060 3.953 2.955
5 HB3 PRO 1 HB1 PRO 1 13.992 2.989 4.106
6 HG2 PRO 1 HG2 PRO 1 14.898 5.175 2.319
7 HG3 PRO 1 HG1 PRO 1 15.536 4.653 3.876
8 HD2 PRO 1 HD2 PRO 1 16.825 4.155 1.583
9 HD3 PRO 1 HD1 PRO 1 16.894 3.105 2.980
10 H MET 2 HN MET 2 14.196 1.806 -0.528
11 HA MET 2 HA MET 2 11.831 3.225 -1.186
12 HB2 MET 2 HB2 MET 2 12.069 2.360 -3.453
13 HB3 MET 2 HB1 MET 2 13.626 2.912 -2.863
14 HG2 MET 2 HG2 MET 2 14.339 0.635 -2.489
15 HG3 MET 2 HG1 MET 2 12.743 0.031 -2.914
16 HE1 MET 2 HE1 MET 2 11.901 1.673 -5.449
17 HE2 MET 2 HE2 MET 2 11.787 -0.085 -5.347
18 HE3 MET 2 HE3 MET 2 12.552 0.668 -6.745
19 H LYS 3 HN LYS 3 12.473 -0.090 -0.330
20 HA LYS 3 HA LYS 3 10.087 -1.234 -1.316
21 HB2 LYS 3 HB2 LYS 3 11.765 -2.082 1.047
22 HB3 LYS 3 HB1 LYS 3 10.503 -3.050 0.309
23 HG2 LYS 3 HG2 LYS 3 11.781 -3.145 -1.766
24 HG3 LYS 3 HG1 LYS 3 13.048 -2.156 -1.035
25 HD2 LYS 3 HD2 LYS 3 13.342 -3.868 0.696
26 HD3 LYS 3 HD1 LYS 3 12.137 -4.877 -0.100
27 HE2 LYS 3 HE2 LYS 3 13.558 -4.946 -2.112
28 HE3 LYS 3 HE1 LYS 3 14.761 -3.965 -1.284
29 HZ1 LYS 3 HZ1 LYS 3 15.362 -6.290 -1.194
30 HZ2 LYS 3 HZ2 LYS 3 13.914 -6.707 -0.470
31 HZ3 LYS 3 HZ3 LYS 3 15.023 -5.743 0.350
32 H LEU 4 HN LEU 4 10.871 0.513 1.567
33 HA LEU 4 HA LEU 4 8.516 -0.125 3.042
34 HB2 LEU 4 HB2 LEU 4 10.309 2.284 3.293
35 HB3 LEU 4 HB1 LEU 4 9.150 1.737 4.485
36 HG LEU 4 HG LEU 4 11.684 0.313 3.668
37 HD11 LEU 4 HD11 LEU 4 10.895 1.719 6.199
38 HD12 LEU 4 HD12 LEU 4 12.081 2.279 5.018
39 HD13 LEU 4 HD13 LEU 4 12.383 0.812 5.954
40 HD21 LEU 4 HD21 LEU 4 11.170 -1.234 5.496
41 HD22 LEU 4 HD22 LEU 4 9.947 -1.298 4.229
42 HD23 LEU 4 HD23 LEU 4 9.615 -0.435 5.735
43 H LEU 5 HN LEU 5 9.459 2.358 0.784
44 HA LEU 5 HA LEU 5 7.220 4.060 1.099
45 HB2 LEU 5 HB2 LEU 5 8.981 3.638 -1.312
46 HB3 LEU 5 HB1 LEU 5 7.865 4.967 -1.092
47 HG LEU 5 HG LEU 5 10.316 4.452 0.590
48 HD11 LEU 5 HD11 LEU 5 11.196 6.437 -0.532
49 HD12 LEU 5 HD12 LEU 5 9.763 6.481 -1.560
50 HD13 LEU 5 HD13 LEU 5 10.880 5.124 -1.664
51 HD21 LEU 5 HD21 LEU 5 9.869 6.677 1.497
52 HD22 LEU 5 HD22 LEU 5 8.549 5.564 1.847
53 HD23 LEU 5 HD23 LEU 5 8.374 6.763 0.566
54 H LYS 6 HN LYS 6 7.961 1.406 -1.212
55 HA LYS 6 HA LYS 6 5.521 1.576 -2.546
56 HB2 LYS 6 HB2 LYS 6 7.339 -0.790 -2.212
57 HB3 LYS 6 HB1 LYS 6 6.193 -0.489 -3.517
58 HG2 LYS 6 HG2 LYS 6 7.485 1.425 -4.255
59 HG3 LYS 6 HG1 LYS 6 8.611 1.205 -2.921
60 HD2 LYS 6 HD2 LYS 6 9.604 0.283 -4.854
61 HD3 LYS 6 HD1 LYS 6 9.094 -1.063 -3.833
62 HE2 LYS 6 HE2 LYS 6 8.555 -1.562 -6.011
63 HE3 LYS 6 HE1 LYS 6 7.033 -1.239 -5.205
64 HZ1 LYS 6 HZ1 LYS 6 7.028 -0.130 -7.370
65 HZ2 LYS 6 HZ2 LYS 6 8.481 0.616 -7.025
66 HZ3 LYS 6 HZ3 LYS 6 7.108 1.061 -6.188
67 H ARG 7 HN ARG 7 6.577 -0.129 0.343
68 HA ARG 7 HA ARG 7 4.301 -1.788 0.645
69 HB2 ARG 7 HB2 ARG 7 6.418 -2.169 1.870
70 HB3 ARG 7 HB1 ARG 7 6.160 -0.683 2.767
71 HG2 ARG 7 HG2 ARG 7 5.589 -2.627 4.112
72 HG3 ARG 7 HG1 ARG 7 4.160 -1.644 3.796
73 HD2 ARG 7 HD2 ARG 7 3.690 -4.041 3.563
74 HD3 ARG 7 HD1 ARG 7 3.469 -3.194 2.035
75 HE ARG 7 HE ARG 7 6.090 -4.254 2.292
76 HH11 ARG 7 HH11 ARG 7 2.778 -5.239 1.561
77 HH12 ARG 7 HH12 ARG 7 3.225 -6.545 0.562
78 HH21 ARG 7 HH21 ARG 7 6.718 -6.013 0.988
79 HH22 ARG 7 HH22 ARG 7 5.552 -7.003 0.221
80 H LEU 8 HN LEU 8 5.106 1.439 1.786
81 HA LEU 8 HA LEU 8 2.747 1.942 3.204
82 HB2 LEU 8 HB2 LEU 8 4.724 3.359 3.387
83 HB3 LEU 8 HB1 LEU 8 4.574 3.825 1.709
84 HG LEU 8 HG LEU 8 2.510 5.041 2.209
85 HD11 LEU 8 HD11 LEU 8 1.811 5.381 4.533
86 HD12 LEU 8 HD12 LEU 8 3.013 4.196 5.057
87 HD13 LEU 8 HD13 LEU 8 1.666 3.696 4.037
88 HD21 LEU 8 HD21 LEU 8 4.638 6.207 2.344
89 HD22 LEU 8 HD22 LEU 8 4.803 5.739 4.036
90 HD23 LEU 8 HD23 LEU 8 3.508 6.829 3.546
91 H GLY 9 HN GLY 9 3.639 2.458 -0.159
92 HA2 GLY 9 HA2 GLY 9 1.275 3.598 -1.127
93 HA3 GLY 9 HA1 GLY 9 2.389 2.616 -2.073
94 H LYS 10 HN LYS 10 2.180 0.222 -0.740
95 HA LYS 10 HA LYS 10 -0.109 -0.959 -1.822
96 HB2 LYS 10 HB2 LYS 10 1.827 -2.316 -1.355
97 HB3 LYS 10 HB1 LYS 10 1.761 -1.915 0.350
98 HG2 LYS 10 HG2 LYS 10 0.990 -4.196 -0.049
99 HG3 LYS 10 HG1 LYS 10 -0.305 -3.193 0.597
100 HD2 LYS 10 HD2 LYS 10 -1.192 -4.591 -1.162
101 HD3 LYS 10 HD1 LYS 10 -1.178 -2.922 -1.716
102 HE2 LYS 10 HE2 LYS 10 0.882 -3.350 -2.961
103 HE3 LYS 10 HE1 LYS 10 0.887 -5.015 -2.388
104 HZ1 LYS 10 HZ1 LYS 10 -1.219 -5.362 -3.537
105 HZ2 LYS 10 HZ2 LYS 10 -0.018 -4.867 -4.601
106 HZ3 LYS 10 HZ3 LYS 10 -1.194 -3.774 -4.107
107 H LYS 11 HN LYS 11 0.576 0.034 1.508
108 HA LYS 11 HA LYS 11 -1.906 -0.828 2.554
109 HB2 LYS 11 HB2 LYS 11 -0.101 1.351 3.590
110 HB3 LYS 11 HB1 LYS 11 -1.421 0.622 4.490
111 HG2 LYS 11 HG2 LYS 11 -0.227 -1.578 4.246
112 HG3 LYS 11 HG1 LYS 11 1.143 -0.671 3.605
113 HD2 LYS 11 HD2 LYS 11 -0.120 -0.314 6.320
114 HD3 LYS 11 HD1 LYS 11 1.413 -1.113 5.992
115 HE2 LYS 11 HE2 LYS 11 2.339 0.996 5.159
116 HE3 LYS 11 HE1 LYS 11 0.796 1.798 5.453
117 HZ1 LYS 11 HZ1 LYS 11 2.318 2.235 7.245
118 HZ2 LYS 11 HZ2 LYS 11 2.590 0.606 7.481
119 HZ3 LYS 11 HZ3 LYS 11 1.061 1.264 7.820
120 H ILE 12 HN ILE 12 -0.850 2.181 1.147
121 HA ILE 12 HA ILE 12 -3.152 3.719 1.621
122 HB ILE 12 HB ILE 12 -1.076 3.850 -0.578
123 HG12 ILE 12 HG12 ILE 12 -1.477 5.577 1.872
124 HG13 ILE 12 HG11 ILE 12 -0.294 4.283 1.725
125 HG21 ILE 12 HG21 ILE 12 -3.100 4.877 -1.427
126 HG22 ILE 12 HG22 ILE 12 -1.890 6.115 -1.086
127 HG23 ILE 12 HG23 ILE 12 -3.235 5.863 0.027
128 HD11 ILE 12 HD11 ILE 12 -0.378 6.801 0.081
129 HD12 ILE 12 HD12 ILE 12 0.809 5.505 -0.071
130 HD13 ILE 12 HD13 ILE 12 0.730 6.457 1.412
131 H ARG 13 HN ARG 13 -2.217 1.684 -1.104
132 HA ARG 13 HA ARG 13 -4.610 2.132 -2.573
133 HB2 ARG 13 HB2 ARG 13 -2.525 -0.040 -2.835
134 HB3 ARG 13 HB1 ARG 13 -3.851 0.196 -3.962
135 HG2 ARG 13 HG2 ARG 13 -1.656 2.176 -3.387
136 HG3 ARG 13 HG1 ARG 13 -1.797 1.161 -4.823
137 HD2 ARG 13 HD2 ARG 13 -3.731 3.325 -3.962
138 HD3 ARG 13 HD1 ARG 13 -2.587 3.414 -5.293
139 HE ARG 13 HE ARG 13 -3.924 1.310 -6.054
140 HH11 ARG 13 HH11 ARG 13 -5.263 4.314 -4.698
141 HH12 ARG 13 HH12 ARG 13 -6.733 4.184 -5.538
142 HH21 ARG 13 HH21 ARG 13 -5.967 1.126 -7.142
143 HH22 ARG 13 HH22 ARG 13 -7.160 2.323 -6.914
144 H LEU 14 HN LEU 14 -3.655 -0.245 -0.211
145 HA LEU 14 HA LEU 14 -5.837 -2.002 -0.439
146 HB2 LEU 14 HB2 LEU 14 -3.701 -2.345 0.888
147 HB3 LEU 14 HB1 LEU 14 -4.301 -1.204 2.058
148 HG LEU 14 HG LEU 14 -5.622 -3.876 1.474
149 HD11 LEU 14 HD11 LEU 14 -3.724 -3.100 3.680
150 HD12 LEU 14 HD12 LEU 14 -3.373 -4.190 2.340
151 HD13 LEU 14 HD13 LEU 14 -4.581 -4.635 3.547
152 HD21 LEU 14 HD21 LEU 14 -6.742 -3.535 3.631
153 HD22 LEU 14 HD22 LEU 14 -7.128 -2.219 2.521
154 HD23 LEU 14 HD23 LEU 14 -5.948 -1.970 3.807
155 H ALA 15 HN ALA 15 -5.257 0.832 1.591
156 HA ALA 15 HA ALA 15 -7.745 0.933 2.877
157 HB1 ALA 15 HB1 ALA 15 -7.137 3.204 3.472
158 HB2 ALA 15 HB2 ALA 15 -5.864 3.195 2.252
159 HB3 ALA 15 HB3 ALA 15 -5.753 2.124 3.646
160 H ALA 16 HN ALA 16 -6.610 2.308 -0.122
161 HA ALA 16 HA ALA 16 -8.713 4.039 -0.707
162 HB1 ALA 16 HB1 ALA 16 -7.943 3.897 -3.024
163 HB2 ALA 16 HB2 ALA 16 -6.984 2.478 -2.617
164 HB3 ALA 16 HB3 ALA 16 -6.587 4.042 -1.905
165 H ALA 17 HN ALA 17 -8.267 0.630 -1.466
166 HA ALA 17 HA ALA 17 -10.806 0.490 -2.818
167 HB1 ALA 17 HB1 ALA 17 -8.883 -0.787 -3.632
168 HB2 ALA 17 HB2 ALA 17 -10.231 -1.841 -3.210
169 HB3 ALA 17 HB3 ALA 17 -8.851 -1.695 -2.121
170 H PHE 18 HN PHE 18 -9.570 -0.037 0.325
171 HA PHE 18 HA PHE 18 -11.138 -1.981 1.426
172 HB2 PHE 18 HB2 PHE 18 -9.222 -0.912 2.550
173 HB3 PHE 18 HB1 PHE 18 -10.182 0.537 2.799
174 HD1 PHE 18 HD1 PHE 18 -9.687 -2.950 3.790
175 HD2 PHE 18 HD2 PHE 18 -11.830 0.640 4.569
176 HE1 PHE 18 HE1 PHE 18 -10.455 -3.872 5.928
177 HE2 PHE 18 HE2 PHE 18 -12.600 -0.281 6.706
178 HZ PHE 18 HZ PHE 18 -11.915 -2.536 7.392
179 H LYS 19 HN LYS 19 -11.922 1.519 1.517
180 HA LYS 19 HA LYS 19 -14.442 0.897 2.634
181 HB2 LYS 19 HB2 LYS 19 -14.956 3.259 2.644
182 HB3 LYS 19 HB1 LYS 19 -13.368 2.990 3.317
183 HG2 LYS 19 HG2 LYS 19 -13.880 3.987 0.517
184 HG3 LYS 19 HG1 LYS 19 -13.642 5.042 1.904
185 HD2 LYS 19 HD2 LYS 19 -11.399 4.075 2.214
186 HD3 LYS 19 HD1 LYS 19 -11.671 3.046 0.806
187 HE2 LYS 19 HE2 LYS 19 -11.704 6.051 0.785
188 HE3 LYS 19 HE1 LYS 19 -10.350 5.047 0.272
189 HZ1 LYS 19 HZ1 LYS 19 -11.810 4.071 -1.423
190 HZ2 LYS 19 HZ2 LYS 19 -11.616 5.724 -1.621
191 HZ3 LYS 19 HZ3 LYS 19 -13.053 5.126 -0.979