Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
642372 | 6ct1 RC | 30441 | 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 -15.409 -0.768 -5.299
2 H3 PRO 1 HT2 PRO 1 -16.540 0.187 -5.969
3 HA PRO 1 HA PRO 1 -14.541 1.416 -5.702
4 HB2 PRO 1 HB2 PRO 1 -15.489 2.854 -3.551
5 HB3 PRO 1 HB1 PRO 1 -16.001 3.082 -5.229
6 HG2 PRO 1 HG2 PRO 1 -17.336 1.555 -3.036
7 HG3 PRO 1 HG1 PRO 1 -18.065 2.509 -4.340
8 HD2 PRO 1 HD2 PRO 1 -18.091 -0.150 -4.407
9 HD3 PRO 1 HD1 PRO 1 -17.908 0.819 -5.848
10 H MET 2 HN MET 2 -12.601 1.603 -4.656
11 HA MET 2 HA MET 2 -12.108 -0.235 -2.512
12 HB2 MET 2 HB2 MET 2 -10.309 1.764 -3.891
13 HB3 MET 2 HB1 MET 2 -9.769 0.646 -2.652
14 HG2 MET 2 HG2 MET 2 -10.918 -0.108 -5.329
15 HG3 MET 2 HG1 MET 2 -9.210 -0.130 -4.896
16 HE1 MET 2 HE1 MET 2 -8.916 -2.622 -5.657
17 HE2 MET 2 HE2 MET 2 -10.596 -2.629 -6.193
18 HE3 MET 2 HE3 MET 2 -9.990 -3.936 -5.176
19 H ALA 3 HN ALA 3 -12.554 0.241 -0.517
20 HA ALA 3 HA ALA 3 -11.971 2.946 0.486
21 HB1 ALA 3 HB1 ALA 3 -14.402 2.786 0.154
22 HB2 ALA 3 HB2 ALA 3 -13.994 2.914 1.866
23 HB3 ALA 3 HB3 ALA 3 -14.443 1.353 1.182
24 H ARG 4 HN ARG 4 -12.751 -0.386 1.341
25 HA ARG 4 HA ARG 4 -11.524 -0.284 3.932
26 HB2 ARG 4 HB2 ARG 4 -12.351 -2.647 2.215
27 HB3 ARG 4 HB1 ARG 4 -11.895 -2.736 3.908
28 HG2 ARG 4 HG2 ARG 4 -13.821 -1.439 4.550
29 HG3 ARG 4 HG1 ARG 4 -14.249 -1.176 2.860
30 HD2 ARG 4 HD2 ARG 4 -15.626 -2.920 3.882
31 HD3 ARG 4 HD1 ARG 4 -14.637 -3.569 2.575
32 HE ARG 4 HE ARG 4 -13.235 -3.890 4.943
33 HH11 ARG 4 HH11 ARG 4 -16.291 -5.086 3.596
34 HH12 ARG 4 HH12 ARG 4 -16.188 -6.613 4.330
35 HH21 ARG 4 HH21 ARG 4 -13.098 -6.011 5.980
36 HH22 ARG 4 HH22 ARG 4 -14.331 -7.147 5.724
37 H ASN 5 HN ASN 5 -10.683 -1.145 0.733
38 HA ASN 5 HA ASN 5 -7.914 -1.763 1.464
39 HB2 ASN 5 HB2 ASN 5 -9.132 -3.398 0.011
40 HB3 ASN 5 HB1 ASN 5 -9.420 -2.114 -1.148
41 HD21 ASN 5 HD21 ASN 5 -8.039 -4.676 -1.401
42 HD22 ASN 5 HD22 ASN 5 -6.465 -4.332 -1.989
43 H LYS 6 HN LYS 6 -6.646 -0.014 1.338
44 HA LYS 6 HA LYS 6 -7.393 2.111 -0.495
45 HB2 LYS 6 HB2 LYS 6 -5.580 2.166 1.908
46 HB3 LYS 6 HB1 LYS 6 -6.176 3.552 1.005
47 HG2 LYS 6 HG2 LYS 6 -8.441 3.089 1.722
48 HG3 LYS 6 HG1 LYS 6 -7.895 1.638 2.561
49 HD2 LYS 6 HD2 LYS 6 -6.518 2.976 4.018
50 HD3 LYS 6 HD1 LYS 6 -6.997 4.415 3.113
51 HE2 LYS 6 HE2 LYS 6 -8.816 2.619 4.730
52 HE3 LYS 6 HE1 LYS 6 -8.277 4.231 5.201
53 HZ1 LYS 6 HZ1 LYS 6 -10.091 3.498 2.974
54 HZ2 LYS 6 HZ2 LYS 6 -9.398 5.027 3.123
55 HZ3 LYS 6 HZ3 LYS 6 -10.444 4.468 4.313
56 HA PRO 7 HA PRO 7 -3.832 -0.223 -2.327
57 HB2 PRO 7 HB2 PRO 7 -4.151 0.826 -4.855
58 HB3 PRO 7 HB1 PRO 7 -4.959 -0.629 -4.267
59 HG2 PRO 7 HG2 PRO 7 -5.994 2.163 -4.458
60 HG3 PRO 7 HG1 PRO 7 -6.818 0.635 -4.815
61 HD2 PRO 7 HD2 PRO 7 -7.262 1.971 -2.544
62 HD3 PRO 7 HD1 PRO 7 -7.239 0.197 -2.580
63 H LYS 8 HN LYS 8 -4.582 3.169 -2.669
64 HA LYS 8 HA LYS 8 -2.106 4.014 -3.726
65 HB2 LYS 8 HB2 LYS 8 -3.990 5.609 -1.984
66 HB3 LYS 8 HB1 LYS 8 -2.726 6.258 -3.008
67 HG2 LYS 8 HG2 LYS 8 -5.149 4.768 -3.990
68 HG3 LYS 8 HG1 LYS 8 -4.951 6.521 -3.970
69 HD2 LYS 8 HD2 LYS 8 -3.069 6.338 -5.496
70 HD3 LYS 8 HD1 LYS 8 -3.215 4.578 -5.486
71 HE2 LYS 8 HE2 LYS 8 -4.260 5.525 -7.479
72 HE3 LYS 8 HE1 LYS 8 -5.445 4.747 -6.437
73 HZ1 LYS 8 HZ1 LYS 8 -6.120 6.926 -5.618
74 HZ2 LYS 8 HZ2 LYS 8 -6.247 6.884 -7.286
75 HZ3 LYS 8 HZ3 LYS 8 -4.954 7.676 -6.562
76 H ILE 9 HN ILE 9 -3.373 3.955 -0.452
77 HA ILE 9 HA ILE 9 -0.946 4.985 0.687
78 HB ILE 9 HB ILE 9 -3.360 3.784 2.081
79 HG12 ILE 9 HG12 ILE 9 -2.706 6.687 1.496
80 HG13 ILE 9 HG11 ILE 9 -3.920 5.734 0.655
81 HG21 ILE 9 HG21 ILE 9 -1.381 3.836 3.516
82 HG22 ILE 9 HG22 ILE 9 -2.557 5.040 4.048
83 HG23 ILE 9 HG23 ILE 9 -1.135 5.542 3.139
84 HD11 ILE 9 HD11 ILE 9 -5.179 5.518 2.739
85 HD12 ILE 9 HD12 ILE 9 -4.929 7.207 2.298
86 HD13 ILE 9 HD13 ILE 9 -3.954 6.472 3.572
87 H LEU 10 HN LEU 10 -2.624 1.842 0.609
88 HA LEU 10 HA LEU 10 -0.932 0.499 2.347
89 HB2 LEU 10 HB2 LEU 10 -3.235 -0.179 1.648
90 HB3 LEU 10 HB1 LEU 10 -2.598 -0.628 0.091
91 HG LEU 10 HG LEU 10 -3.117 -2.514 1.628
92 HD11 LEU 10 HD11 LEU 10 -0.235 -2.345 0.776
93 HD12 LEU 10 HD12 LEU 10 -1.590 -2.894 -0.209
94 HD13 LEU 10 HD13 LEU 10 -1.095 -3.822 1.208
95 HD21 LEU 10 HD21 LEU 10 -1.583 -3.042 3.454
96 HD22 LEU 10 HD22 LEU 10 -2.415 -1.510 3.728
97 HD23 LEU 10 HD23 LEU 10 -0.737 -1.521 3.184
98 H LYS 11 HN LYS 11 -0.898 0.562 -1.274
99 HA LYS 11 HA LYS 11 1.373 -1.094 -1.288
100 HB2 LYS 11 HB2 LYS 11 -0.021 -1.110 -3.262
101 HB3 LYS 11 HB1 LYS 11 0.240 0.605 -3.522
102 HG2 LYS 11 HG2 LYS 11 1.546 -0.780 -5.096
103 HG3 LYS 11 HG1 LYS 11 2.576 0.212 -4.068
104 HD2 LYS 11 HD2 LYS 11 2.923 -1.804 -2.601
105 HD3 LYS 11 HD1 LYS 11 2.035 -2.753 -3.796
106 HE2 LYS 11 HE2 LYS 11 3.690 -2.201 -5.495
107 HE3 LYS 11 HE1 LYS 11 4.542 -1.173 -4.348
108 HZ1 LYS 11 HZ1 LYS 11 5.602 -3.323 -4.617
109 HZ2 LYS 11 HZ2 LYS 11 4.226 -4.121 -4.130
110 HZ3 LYS 11 HZ3 LYS 11 5.085 -3.153 -3.030
111 H ARG 12 HN ARG 12 1.048 2.373 -1.064
112 HA ARG 12 HA ARG 12 3.744 2.893 -1.700
113 HB2 ARG 12 HB2 ARG 12 1.735 4.440 -0.118
114 HB3 ARG 12 HB1 ARG 12 3.403 4.979 -0.233
115 HG2 ARG 12 HG2 ARG 12 3.193 5.054 -2.673
116 HG3 ARG 12 HG1 ARG 12 1.513 4.537 -2.522
117 HD2 ARG 12 HD2 ARG 12 1.722 6.960 -2.807
118 HD3 ARG 12 HD1 ARG 12 0.971 6.525 -1.271
119 HE ARG 12 HE ARG 12 3.681 6.776 -0.800
120 HH11 ARG 12 HH11 ARG 12 1.076 8.905 -1.875
121 HH12 ARG 12 HH12 ARG 12 1.741 10.301 -1.147
122 HH21 ARG 12 HH21 ARG 12 4.593 8.672 0.177
123 HH22 ARG 12 HH22 ARG 12 3.791 10.167 0.036
124 H ILE 13 HN ILE 13 2.191 2.520 1.473
125 HA ILE 13 HA ILE 13 4.558 2.626 3.002
126 HB ILE 13 HB ILE 13 1.975 1.131 3.580
127 HG12 ILE 13 HG12 ILE 13 1.630 3.544 3.311
128 HG13 ILE 13 HG11 ILE 13 1.383 3.062 4.983
129 HG21 ILE 13 HG21 ILE 13 4.192 1.852 5.494
130 HG22 ILE 13 HG22 ILE 13 3.766 0.231 4.950
131 HG23 ILE 13 HG23 ILE 13 2.635 1.152 5.942
132 HD11 ILE 13 HD11 ILE 13 3.625 3.917 5.535
133 HD12 ILE 13 HD12 ILE 13 2.571 5.162 4.871
134 HD13 ILE 13 HD13 ILE 13 3.823 4.442 3.861
135 H LEU 14 HN LEU 14 2.876 -0.045 1.466
136 HA LEU 14 HA LEU 14 4.590 -2.067 2.375
137 HB2 LEU 14 HB2 LEU 14 2.356 -2.516 1.487
138 HB3 LEU 14 HB1 LEU 14 2.868 -1.966 -0.092
139 HG LEU 14 HG LEU 14 4.435 -3.867 -0.234
140 HD11 LEU 14 HD11 LEU 14 4.247 -5.707 1.363
141 HD12 LEU 14 HD12 LEU 14 3.160 -4.734 2.355
142 HD13 LEU 14 HD13 LEU 14 4.839 -4.237 2.133
143 HD21 LEU 14 HD21 LEU 14 2.217 -4.034 -1.193
144 HD22 LEU 14 HD22 LEU 14 1.578 -4.605 0.348
145 HD23 LEU 14 HD23 LEU 14 2.732 -5.594 -0.549
146 H ALA 15 HN ALA 15 4.887 0.280 -0.251
147 HA ALA 15 HA ALA 15 6.803 -1.241 -1.730
148 HB1 ALA 15 HB1 ALA 15 5.389 0.450 -2.823
149 HB2 ALA 15 HB2 ALA 15 7.107 0.767 -3.073
150 HB3 ALA 15 HB3 ALA 15 6.197 1.711 -1.893
151 H LYS 16 HN LYS 16 6.926 0.646 1.041
152 HA LYS 16 HA LYS 16 9.609 1.530 0.846
153 HB2 LYS 16 HB2 LYS 16 8.019 0.899 3.345
154 HB3 LYS 16 HB1 LYS 16 9.463 1.893 3.269
155 HG2 LYS 16 HG2 LYS 16 6.776 2.532 2.044
156 HG3 LYS 16 HG1 LYS 16 7.481 3.283 3.472
157 HD2 LYS 16 HD2 LYS 16 8.665 3.418 0.688
158 HD3 LYS 16 HD1 LYS 16 7.662 4.668 1.412
159 HE2 LYS 16 HE2 LYS 16 10.295 3.699 2.529
160 HE3 LYS 16 HE1 LYS 16 10.077 5.150 1.560
161 HZ1 LYS 16 HZ1 LYS 16 10.116 5.661 3.921
162 HZ2 LYS 16 HZ2 LYS 16 8.820 4.637 4.202
163 HZ3 LYS 16 HZ3 LYS 16 8.598 6.015 3.277
164 H ILE 17 HN ILE 17 8.066 -1.331 2.194
165 HA ILE 17 HA ILE 17 10.703 -2.510 2.545
166 HB ILE 17 HB ILE 17 9.538 -4.453 3.626
167 HG12 ILE 17 HG12 ILE 17 7.103 -2.643 3.509
168 HG13 ILE 17 HG11 ILE 17 7.304 -4.128 2.589
169 HG21 ILE 17 HG21 ILE 17 9.084 -3.262 5.727
170 HG22 ILE 17 HG22 ILE 17 9.120 -1.733 4.848
171 HG23 ILE 17 HG23 ILE 17 10.574 -2.726 4.950
172 HD11 ILE 17 HD11 ILE 17 7.173 -3.911 5.588
173 HD12 ILE 17 HD12 ILE 17 7.362 -5.404 4.669
174 HD13 ILE 17 HD13 ILE 17 5.879 -4.460 4.524
175 H PHE 18 HN PHE 18 7.743 -3.225 0.726
176 HA PHE 18 HA PHE 18 9.256 -5.210 -0.791
177 HB2 PHE 18 HB2 PHE 18 7.408 -6.174 0.543
178 HB3 PHE 18 HB1 PHE 18 6.280 -5.091 -0.251
179 HD1 PHE 18 HD1 PHE 18 8.629 -7.877 -0.860
180 HD2 PHE 18 HD2 PHE 18 5.265 -5.704 -2.276
181 HE1 PHE 18 HE1 PHE 18 8.273 -9.573 -2.599
182 HE2 PHE 18 HE2 PHE 18 4.902 -7.393 -4.022
183 HZ PHE 18 HZ PHE 18 6.409 -9.332 -4.185
184 H LYS 19 HN LYS 19 9.894 -4.169 -2.573
185 HA LYS 19 HA LYS 19 8.365 -2.055 -3.707
186 HB2 LYS 19 HB2 LYS 19 10.976 -3.338 -4.514
187 HB3 LYS 19 HB1 LYS 19 10.210 -2.065 -5.441
188 HG2 LYS 19 HG2 LYS 19 11.944 -1.162 -4.075
189 HG3 LYS 19 HG1 LYS 19 10.394 -0.542 -3.500
190 HD2 LYS 19 HD2 LYS 19 11.734 -1.064 -1.584
191 HD3 LYS 19 HD1 LYS 19 10.521 -2.332 -1.713
192 HE2 LYS 19 HE2 LYS 19 12.181 -3.766 -2.850
193 HE3 LYS 19 HE1 LYS 19 13.380 -2.501 -2.641
194 HZ1 LYS 19 HZ1 LYS 19 13.580 -4.181 -0.948
195 HZ2 LYS 19 HZ2 LYS 19 12.008 -3.935 -0.414
196 HZ3 LYS 19 HZ3 LYS 19 13.167 -2.715 -0.250
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 -10.483 10.726 13.452
2 H3 PRO 1 HT2 PRO 1 -11.690 11.797 13.044
3 HA PRO 1 HA PRO 1 -11.419 9.724 11.703
4 HB2 PRO 1 HB2 PRO 1 -10.924 11.617 9.615
5 HB3 PRO 1 HB1 PRO 1 -12.468 10.922 10.126
6 HG2 PRO 1 HG2 PRO 1 -11.781 13.570 10.482
7 HG3 PRO 1 HG1 PRO 1 -12.981 12.706 11.451
8 HD2 PRO 1 HD2 PRO 1 -10.180 13.412 12.044
9 HD3 PRO 1 HD1 PRO 1 -11.540 13.390 13.148
10 H MET 2 HN MET 2 -9.735 8.369 11.470
11 HA MET 2 HA MET 2 -7.148 9.493 10.732
12 HB2 MET 2 HB2 MET 2 -7.911 6.697 11.602
13 HB3 MET 2 HB1 MET 2 -6.286 7.199 11.175
14 HG2 MET 2 HG2 MET 2 -6.282 8.768 13.045
15 HG3 MET 2 HG1 MET 2 -7.914 8.261 13.470
16 HE1 MET 2 HE1 MET 2 -5.784 6.699 16.354
17 HE2 MET 2 HE2 MET 2 -7.181 7.696 15.952
18 HE3 MET 2 HE3 MET 2 -5.556 8.259 15.562
19 H ALA 3 HN ALA 3 -6.029 8.686 8.933
20 HA ALA 3 HA ALA 3 -7.607 8.229 6.650
21 HB1 ALA 3 HB1 ALA 3 -5.375 9.264 6.557
22 HB2 ALA 3 HB2 ALA 3 -5.496 7.868 5.487
23 HB3 ALA 3 HB3 ALA 3 -4.650 7.725 7.024
24 H ARG 4 HN ARG 4 -7.970 6.371 5.500
25 HA ARG 4 HA ARG 4 -7.756 3.918 7.064
26 HB2 ARG 4 HB2 ARG 4 -9.251 4.526 4.520
27 HB3 ARG 4 HB1 ARG 4 -9.320 2.991 5.375
28 HG2 ARG 4 HG2 ARG 4 -10.296 5.659 6.399
29 HG3 ARG 4 HG1 ARG 4 -11.314 4.383 5.736
30 HD2 ARG 4 HD2 ARG 4 -11.454 4.296 8.126
31 HD3 ARG 4 HD1 ARG 4 -10.511 2.910 7.583
32 HE ARG 4 HE ARG 4 -8.814 5.048 8.167
33 HH11 ARG 4 HH11 ARG 4 -10.873 2.719 9.829
34 HH12 ARG 4 HH12 ARG 4 -9.946 2.654 11.250
35 HH21 ARG 4 HH21 ARG 4 -7.492 4.965 10.106
36 HH22 ARG 4 HH22 ARG 4 -7.987 3.981 11.416
37 H ASN 5 HN ASN 5 -7.110 1.953 5.865
38 HA ASN 5 HA ASN 5 -4.769 2.571 4.346
39 HB2 ASN 5 HB2 ASN 5 -4.684 0.714 5.965
40 HB3 ASN 5 HB1 ASN 5 -5.945 -0.124 5.070
41 HD21 ASN 5 HD21 ASN 5 -2.634 0.945 4.990
42 HD22 ASN 5 HD22 ASN 5 -2.112 -0.155 3.762
43 H LYS 6 HN LYS 6 -5.634 3.567 2.643
44 HA LYS 6 HA LYS 6 -7.401 2.178 0.841
45 HB2 LYS 6 HB2 LYS 6 -5.805 4.715 0.369
46 HB3 LYS 6 HB1 LYS 6 -7.172 4.157 -0.579
47 HG2 LYS 6 HG2 LYS 6 -7.238 5.122 2.282
48 HG3 LYS 6 HG1 LYS 6 -7.848 5.979 0.871
49 HD2 LYS 6 HD2 LYS 6 -8.910 3.345 1.925
50 HD3 LYS 6 HD1 LYS 6 -9.645 4.917 2.199
51 HE2 LYS 6 HE2 LYS 6 -9.251 3.606 -0.494
52 HE3 LYS 6 HE1 LYS 6 -10.758 3.661 0.416
53 HZ1 LYS 6 HZ1 LYS 6 -9.306 6.038 -0.642
54 HZ2 LYS 6 HZ2 LYS 6 -10.734 6.082 0.224
55 HZ3 LYS 6 HZ3 LYS 6 -10.704 5.359 -1.288
56 HA PRO 7 HA PRO 7 -4.464 -0.249 -1.367
57 HB2 PRO 7 HB2 PRO 7 -5.554 1.081 -3.807
58 HB3 PRO 7 HB1 PRO 7 -5.254 -0.632 -3.489
59 HG2 PRO 7 HG2 PRO 7 -7.719 0.307 -3.326
60 HG3 PRO 7 HG1 PRO 7 -7.120 -0.861 -2.135
61 HD2 PRO 7 HD2 PRO 7 -7.585 2.066 -1.844
62 HD3 PRO 7 HD1 PRO 7 -7.764 0.759 -0.659
63 H LYS 8 HN LYS 8 -4.706 3.067 -2.669
64 HA LYS 8 HA LYS 8 -2.103 3.083 -3.748
65 HB2 LYS 8 HB2 LYS 8 -2.318 5.530 -3.899
66 HB3 LYS 8 HB1 LYS 8 -3.740 4.709 -4.508
67 HG2 LYS 8 HG2 LYS 8 -4.923 5.232 -2.412
68 HG3 LYS 8 HG1 LYS 8 -3.481 6.048 -1.823
69 HD2 LYS 8 HD2 LYS 8 -4.842 6.871 -4.383
70 HD3 LYS 8 HD1 LYS 8 -5.347 7.503 -2.826
71 HE2 LYS 8 HE2 LYS 8 -3.843 9.078 -3.904
72 HE3 LYS 8 HE1 LYS 8 -3.068 8.412 -2.479
73 HZ1 LYS 8 HZ1 LYS 8 -2.523 7.438 -5.248
74 HZ2 LYS 8 HZ2 LYS 8 -1.609 7.125 -3.834
75 HZ3 LYS 8 HZ3 LYS 8 -1.658 8.643 -4.478
76 H ILE 9 HN ILE 9 -3.271 3.867 -0.563
77 HA ILE 9 HA ILE 9 -0.792 4.994 0.358
78 HB ILE 9 HB ILE 9 -3.150 3.922 1.959
79 HG12 ILE 9 HG12 ILE 9 -2.505 6.770 1.145
80 HG13 ILE 9 HG11 ILE 9 -3.773 5.776 0.442
81 HG21 ILE 9 HG21 ILE 9 -2.270 5.292 3.798
82 HG22 ILE 9 HG22 ILE 9 -0.882 5.735 2.803
83 HG23 ILE 9 HG23 ILE 9 -1.111 4.058 3.301
84 HD11 ILE 9 HD11 ILE 9 -3.637 6.695 3.305
85 HD12 ILE 9 HD12 ILE 9 -4.922 5.718 2.596
86 HD13 ILE 9 HD13 ILE 9 -4.667 7.374 2.046
87 H LEU 10 HN LEU 10 -2.454 1.940 0.430
88 HA LEU 10 HA LEU 10 -0.740 0.448 2.041
89 HB2 LEU 10 HB2 LEU 10 -2.936 -0.339 1.383
90 HB3 LEU 10 HB1 LEU 10 -2.444 -0.387 -0.297
91 HG LEU 10 HG LEU 10 -0.847 -2.199 0.249
92 HD11 LEU 10 HD11 LEU 10 -2.125 -2.105 2.976
93 HD12 LEU 10 HD12 LEU 10 -0.448 -1.714 2.591
94 HD13 LEU 10 HD13 LEU 10 -1.036 -3.362 2.393
95 HD21 LEU 10 HD21 LEU 10 -2.550 -3.937 0.570
96 HD22 LEU 10 HD22 LEU 10 -3.042 -2.727 -0.615
97 HD23 LEU 10 HD23 LEU 10 -3.712 -2.690 1.015
98 H LYS 11 HN LYS 11 -0.777 0.919 -1.477
99 HA LYS 11 HA LYS 11 1.462 -0.655 -2.048
100 HB2 LYS 11 HB2 LYS 11 0.378 1.734 -3.522
101 HB3 LYS 11 HB1 LYS 11 1.648 0.697 -4.145
102 HG2 LYS 11 HG2 LYS 11 -1.188 -0.114 -3.522
103 HG3 LYS 11 HG1 LYS 11 -0.494 0.114 -5.123
104 HD2 LYS 11 HD2 LYS 11 0.273 -2.008 -3.105
105 HD3 LYS 11 HD1 LYS 11 -0.623 -2.241 -4.598
106 HE2 LYS 11 HE2 LYS 11 2.245 -1.329 -4.370
107 HE3 LYS 11 HE1 LYS 11 1.704 -2.929 -4.854
108 HZ1 LYS 11 HZ1 LYS 11 0.693 -1.975 -6.825
109 HZ2 LYS 11 HZ2 LYS 11 2.320 -1.548 -6.745
110 HZ3 LYS 11 HZ3 LYS 11 1.153 -0.417 -6.365
111 H ARG 12 HN ARG 12 1.223 2.658 -1.027
112 HA ARG 12 HA ARG 12 3.946 3.231 -1.451
113 HB2 ARG 12 HB2 ARG 12 1.847 4.538 0.244
114 HB3 ARG 12 HB1 ARG 12 3.517 5.090 0.266
115 HG2 ARG 12 HG2 ARG 12 1.774 4.951 -2.191
116 HG3 ARG 12 HG1 ARG 12 2.108 6.412 -1.253
117 HD2 ARG 12 HD2 ARG 12 4.141 4.726 -2.736
118 HD3 ARG 12 HD1 ARG 12 3.573 6.331 -3.180
119 HE ARG 12 HE ARG 12 4.470 6.907 -0.834
120 HH11 ARG 12 HH11 ARG 12 6.065 4.816 -3.216
121 HH12 ARG 12 HH12 ARG 12 7.630 5.071 -2.630
122 HH21 ARG 12 HH21 ARG 12 6.648 7.281 -0.016
123 HH22 ARG 12 HH22 ARG 12 7.964 6.538 -0.795
124 H ILE 13 HN ILE 13 2.243 2.394 1.589
125 HA ILE 13 HA ILE 13 4.646 2.263 3.059
126 HB ILE 13 HB ILE 13 3.422 1.005 4.809
127 HG12 ILE 13 HG12 ILE 13 1.074 1.080 2.897
128 HG13 ILE 13 HG11 ILE 13 1.984 -0.366 3.309
129 HG21 ILE 13 HG21 ILE 13 3.292 3.403 4.806
130 HG22 ILE 13 HG22 ILE 13 1.747 2.730 5.327
131 HG23 ILE 13 HG23 ILE 13 1.927 3.364 3.690
132 HD11 ILE 13 HD11 ILE 13 1.245 -0.154 5.637
133 HD12 ILE 13 HD12 ILE 13 -0.120 -0.267 4.526
134 HD13 ILE 13 HD13 ILE 13 0.332 1.294 5.209
135 H LEU 14 HN LEU 14 2.984 -0.118 1.146
136 HA LEU 14 HA LEU 14 4.588 -2.320 1.866
137 HB2 LEU 14 HB2 LEU 14 2.406 -2.580 0.797
138 HB3 LEU 14 HB1 LEU 14 3.000 -1.787 -0.642
139 HG LEU 14 HG LEU 14 4.576 -3.678 -0.987
140 HD11 LEU 14 HD11 LEU 14 4.774 -4.458 1.299
141 HD12 LEU 14 HD12 LEU 14 4.227 -5.759 0.244
142 HD13 LEU 14 HD13 LEU 14 3.078 -4.939 1.301
143 HD21 LEU 14 HD21 LEU 14 2.437 -3.607 -2.151
144 HD22 LEU 14 HD22 LEU 14 1.659 -4.423 -0.795
145 HD23 LEU 14 HD23 LEU 14 2.876 -5.267 -1.750
146 H ALA 15 HN ALA 15 4.992 0.337 -0.467
147 HA ALA 15 HA ALA 15 6.992 -0.967 -2.003
148 HB1 ALA 15 HB1 ALA 15 7.441 1.257 -2.919
149 HB2 ALA 15 HB2 ALA 15 6.426 1.978 -1.673
150 HB3 ALA 15 HB3 ALA 15 5.712 0.916 -2.886
151 H LYS 16 HN LYS 16 6.961 0.776 0.935
152 HA LYS 16 HA LYS 16 9.709 1.429 1.048
153 HB2 LYS 16 HB2 LYS 16 7.678 1.058 3.229
154 HB3 LYS 16 HB1 LYS 16 9.291 1.719 3.461
155 HG2 LYS 16 HG2 LYS 16 8.717 3.594 1.977
156 HG3 LYS 16 HG1 LYS 16 7.105 2.913 1.754
157 HD2 LYS 16 HD2 LYS 16 7.068 4.699 3.420
158 HD3 LYS 16 HD1 LYS 16 6.678 3.146 4.162
159 HE2 LYS 16 HE2 LYS 16 9.016 2.961 4.930
160 HE3 LYS 16 HE1 LYS 16 9.351 4.535 4.214
161 HZ1 LYS 16 HZ1 LYS 16 8.972 4.662 6.574
162 HZ2 LYS 16 HZ2 LYS 16 7.471 3.949 6.427
163 HZ3 LYS 16 HZ3 LYS 16 7.742 5.504 5.783
164 H ILE 17 HN ILE 17 7.818 -1.328 2.123
165 HA ILE 17 HA ILE 17 10.211 -2.517 3.258
166 HB ILE 17 HB ILE 17 8.242 -2.687 4.667
167 HG12 ILE 17 HG12 ILE 17 8.963 -5.402 3.525
168 HG13 ILE 17 HG11 ILE 17 9.848 -4.546 4.776
169 HG21 ILE 17 HG21 ILE 17 6.259 -3.988 4.053
170 HG22 ILE 17 HG22 ILE 17 6.903 -4.168 2.419
171 HG23 ILE 17 HG23 ILE 17 6.488 -2.567 3.033
172 HD11 ILE 17 HD11 ILE 17 8.478 -6.321 5.713
173 HD12 ILE 17 HD12 ILE 17 7.033 -5.591 5.011
174 HD13 ILE 17 HD13 ILE 17 7.926 -4.741 6.272
175 H PHE 18 HN PHE 18 7.999 -3.084 0.555
176 HA PHE 18 HA PHE 18 9.525 -5.462 -0.117
177 HB2 PHE 18 HB2 PHE 18 7.020 -5.603 -0.001
178 HB3 PHE 18 HB1 PHE 18 6.942 -4.463 -1.331
179 HD1 PHE 18 HD1 PHE 18 8.566 -7.715 -0.492
180 HD2 PHE 18 HD2 PHE 18 6.644 -5.326 -3.438
181 HE1 PHE 18 HE1 PHE 18 8.641 -9.600 -2.057
182 HE2 PHE 18 HE2 PHE 18 6.723 -7.211 -5.015
183 HZ PHE 18 HZ PHE 18 7.722 -9.353 -4.318
184 H LYS 19 HN LYS 19 11.335 -4.266 -0.728
185 HA LYS 19 HA LYS 19 11.101 -3.326 -3.425
186 HB2 LYS 19 HB2 LYS 19 13.121 -1.742 -2.694
187 HB3 LYS 19 HB1 LYS 19 11.448 -1.239 -2.595
188 HG2 LYS 19 HG2 LYS 19 12.541 -0.548 -0.581
189 HG3 LYS 19 HG1 LYS 19 11.449 -1.852 -0.184
190 HD2 LYS 19 HD2 LYS 19 13.415 -2.224 1.084
191 HD3 LYS 19 HD1 LYS 19 13.463 -3.388 -0.230
192 HE2 LYS 19 HE2 LYS 19 14.985 -0.766 -0.180
193 HE3 LYS 19 HE1 LYS 19 15.657 -2.325 0.269
194 HZ1 LYS 19 HZ1 LYS 19 16.323 -1.944 -1.931
195 HZ2 LYS 19 HZ2 LYS 19 14.811 -1.398 -2.410
196 HZ3 LYS 19 HZ3 LYS 19 15.033 -3.039 -2.063
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 -18.160 -0.209 11.954
2 H3 PRO 1 HT2 PRO 1 -17.107 -1.317 12.519
3 HA PRO 1 HA PRO 1 -18.067 -3.070 11.237
4 HB2 PRO 1 HB2 PRO 1 -19.028 -1.542 9.105
5 HB3 PRO 1 HB1 PRO 1 -20.011 -2.528 10.197
6 HG2 PRO 1 HG2 PRO 1 -19.441 0.401 10.298
7 HG3 PRO 1 HG1 PRO 1 -20.931 -0.466 10.707
8 HD2 PRO 1 HD2 PRO 1 -19.401 0.459 12.648
9 HD3 PRO 1 HD1 PRO 1 -20.158 -1.121 12.755
10 H MET 2 HN MET 2 -17.188 -3.106 8.826
11 HA MET 2 HA MET 2 -15.032 -1.158 8.563
12 HB2 MET 2 HB2 MET 2 -13.463 -2.912 7.835
13 HB3 MET 2 HB1 MET 2 -13.978 -3.153 9.493
14 HG2 MET 2 HG2 MET 2 -15.467 -4.935 8.802
15 HG3 MET 2 HG1 MET 2 -15.076 -4.632 7.114
16 HE1 MET 2 HE1 MET 2 -12.778 -5.178 5.984
17 HE2 MET 2 HE2 MET 2 -11.367 -5.791 6.841
18 HE3 MET 2 HE3 MET 2 -11.927 -4.148 7.139
19 H ALA 3 HN ALA 3 -14.003 -1.396 6.320
20 HA ALA 3 HA ALA 3 -15.794 -2.175 4.218
21 HB1 ALA 3 HB1 ALA 3 -16.699 0.032 4.868
22 HB2 ALA 3 HB2 ALA 3 -15.970 0.089 3.269
23 HB3 ALA 3 HB3 ALA 3 -15.103 0.751 4.652
24 H ARG 4 HN ARG 4 -14.424 -0.435 2.294
25 HA ARG 4 HA ARG 4 -11.930 -1.913 2.186
26 HB2 ARG 4 HB2 ARG 4 -13.285 -0.145 0.119
27 HB3 ARG 4 HB1 ARG 4 -11.762 -0.976 -0.111
28 HG2 ARG 4 HG2 ARG 4 -14.333 -2.381 0.531
29 HG3 ARG 4 HG1 ARG 4 -13.733 -2.104 -1.109
30 HD2 ARG 4 HD2 ARG 4 -12.313 -3.622 1.077
31 HD3 ARG 4 HD1 ARG 4 -13.147 -4.335 -0.303
32 HE ARG 4 HE ARG 4 -11.551 -2.924 -1.640
33 HH11 ARG 4 HH11 ARG 4 -10.662 -4.416 1.478
34 HH12 ARG 4 HH12 ARG 4 -9.035 -4.652 1.068
35 HH21 ARG 4 HH21 ARG 4 -9.269 -3.271 -2.184
36 HH22 ARG 4 HH22 ARG 4 -8.214 -3.972 -1.048
37 H ASN 5 HN ASN 5 -10.110 -0.490 1.029
38 HA ASN 5 HA ASN 5 -9.800 2.079 2.390
39 HB2 ASN 5 HB2 ASN 5 -8.760 0.152 3.741
40 HB3 ASN 5 HB1 ASN 5 -7.697 -0.120 2.375
41 HD21 ASN 5 HD21 ASN 5 -6.968 0.475 5.063
42 HD22 ASN 5 HD22 ASN 5 -6.107 1.975 5.058
43 H LYS 6 HN LYS 6 -8.027 3.256 1.278
44 HA LYS 6 HA LYS 6 -8.149 2.716 -1.538
45 HB2 LYS 6 HB2 LYS 6 -6.901 4.891 -1.750
46 HB3 LYS 6 HB1 LYS 6 -8.461 5.005 -0.955
47 HG2 LYS 6 HG2 LYS 6 -7.235 5.013 1.234
48 HG3 LYS 6 HG1 LYS 6 -5.737 5.088 0.308
49 HD2 LYS 6 HD2 LYS 6 -6.391 7.157 -0.707
50 HD3 LYS 6 HD1 LYS 6 -7.977 7.078 0.054
51 HE2 LYS 6 HE2 LYS 6 -6.906 7.245 2.262
52 HE3 LYS 6 HE1 LYS 6 -5.332 7.356 1.474
53 HZ1 LYS 6 HZ1 LYS 6 -6.023 9.395 0.419
54 HZ2 LYS 6 HZ2 LYS 6 -6.230 9.545 2.080
55 HZ3 LYS 6 HZ3 LYS 6 -7.556 9.281 1.085
56 HA PRO 7 HA PRO 7 -4.549 0.211 -1.411
57 HB2 PRO 7 HB2 PRO 7 -4.159 -0.024 -4.092
58 HB3 PRO 7 HB1 PRO 7 -5.398 -0.915 -3.201
59 HG2 PRO 7 HG2 PRO 7 -5.664 1.584 -4.825
60 HG3 PRO 7 HG1 PRO 7 -6.732 0.169 -4.770
61 HD2 PRO 7 HD2 PRO 7 -7.296 2.444 -3.455
62 HD3 PRO 7 HD1 PRO 7 -7.734 0.849 -2.803
63 H LYS 8 HN LYS 8 -4.596 3.317 -2.878
64 HA LYS 8 HA LYS 8 -1.979 3.495 -3.856
65 HB2 LYS 8 HB2 LYS 8 -3.764 5.662 -2.755
66 HB3 LYS 8 HB1 LYS 8 -2.208 5.978 -3.503
67 HG2 LYS 8 HG2 LYS 8 -3.019 4.984 -5.591
68 HG3 LYS 8 HG1 LYS 8 -4.591 4.705 -4.839
69 HD2 LYS 8 HD2 LYS 8 -4.880 7.101 -4.500
70 HD3 LYS 8 HD1 LYS 8 -3.274 7.406 -5.155
71 HE2 LYS 8 HE2 LYS 8 -4.973 7.886 -6.824
72 HE3 LYS 8 HE1 LYS 8 -3.993 6.513 -7.322
73 HZ1 LYS 8 HZ1 LYS 8 -6.367 6.171 -7.728
74 HZ2 LYS 8 HZ2 LYS 8 -6.696 6.319 -6.089
75 HZ3 LYS 8 HZ3 LYS 8 -5.775 5.030 -6.649
76 H ILE 9 HN ILE 9 -3.195 4.278 -0.605
77 HA ILE 9 HA ILE 9 -0.567 5.016 0.266
78 HB ILE 9 HB ILE 9 -1.508 5.155 2.550
79 HG12 ILE 9 HG12 ILE 9 -4.117 4.260 1.274
80 HG13 ILE 9 HG11 ILE 9 -3.142 3.299 2.370
81 HG21 ILE 9 HG21 ILE 9 -3.076 7.004 2.131
82 HG22 ILE 9 HG22 ILE 9 -3.166 6.522 0.436
83 HG23 ILE 9 HG23 ILE 9 -1.639 7.090 1.110
84 HD11 ILE 9 HD11 ILE 9 -3.559 4.900 4.163
85 HD12 ILE 9 HD12 ILE 9 -5.067 4.271 3.498
86 HD13 ILE 9 HD13 ILE 9 -4.517 5.888 3.060
87 H LEU 10 HN LEU 10 -2.520 2.168 0.338
88 HA LEU 10 HA LEU 10 -1.025 0.719 2.250
89 HB2 LEU 10 HB2 LEU 10 -2.778 -0.327 0.033
90 HB3 LEU 10 HB1 LEU 10 -2.206 -1.246 1.410
91 HG LEU 10 HG LEU 10 -4.127 1.076 1.499
92 HD11 LEU 10 HD11 LEU 10 -5.138 -0.921 0.610
93 HD12 LEU 10 HD12 LEU 10 -5.726 -0.625 2.250
94 HD13 LEU 10 HD13 LEU 10 -4.515 -1.870 1.959
95 HD21 LEU 10 HD21 LEU 10 -4.365 0.513 3.890
96 HD22 LEU 10 HD22 LEU 10 -2.745 1.075 3.496
97 HD23 LEU 10 HD23 LEU 10 -3.042 -0.645 3.737
98 H LYS 11 HN LYS 11 -0.972 0.705 -1.309
99 HA LYS 11 HA LYS 11 1.122 -1.159 -1.531
100 HB2 LYS 11 HB2 LYS 11 0.087 0.962 -3.397
101 HB3 LYS 11 HB1 LYS 11 1.490 -0.005 -3.813
102 HG2 LYS 11 HG2 LYS 11 -1.259 -1.092 -3.205
103 HG3 LYS 11 HG1 LYS 11 -0.572 -0.873 -4.819
104 HD2 LYS 11 HD2 LYS 11 1.316 -2.364 -4.105
105 HD3 LYS 11 HD1 LYS 11 0.410 -2.715 -2.640
106 HE2 LYS 11 HE2 LYS 11 -0.538 -3.249 -5.453
107 HE3 LYS 11 HE1 LYS 11 0.133 -4.450 -4.356
108 HZ1 LYS 11 HZ1 LYS 11 -2.250 -4.537 -4.377
109 HZ2 LYS 11 HZ2 LYS 11 -2.373 -2.918 -3.940
110 HZ3 LYS 11 HZ3 LYS 11 -1.731 -4.033 -2.857
111 H ARG 12 HN ARG 12 1.097 2.340 -1.231
112 HA ARG 12 HA ARG 12 3.770 2.845 -1.600
113 HB2 ARG 12 HB2 ARG 12 1.539 4.278 -1.037
114 HB3 ARG 12 HB1 ARG 12 2.381 4.377 0.498
115 HG2 ARG 12 HG2 ARG 12 2.969 6.263 -0.824
116 HG3 ARG 12 HG1 ARG 12 4.373 5.192 -0.739
117 HD2 ARG 12 HD2 ARG 12 4.080 5.975 -3.000
118 HD3 ARG 12 HD1 ARG 12 3.762 4.252 -2.946
119 HE ARG 12 HE ARG 12 1.453 5.969 -2.682
120 HH11 ARG 12 HH11 ARG 12 3.385 3.963 -4.853
121 HH12 ARG 12 HH12 ARG 12 2.265 3.995 -6.124
122 HH21 ARG 12 HH21 ARG 12 -0.084 6.013 -4.384
123 HH22 ARG 12 HH22 ARG 12 0.228 5.197 -5.860
124 H ILE 13 HN ILE 13 2.017 2.025 1.410
125 HA ILE 13 HA ILE 13 4.171 2.152 3.211
126 HB ILE 13 HB ILE 13 1.782 0.265 3.307
127 HG12 ILE 13 HG12 ILE 13 2.186 2.937 4.675
128 HG13 ILE 13 HG11 ILE 13 1.216 2.692 3.228
129 HG21 ILE 13 HG21 ILE 13 2.211 0.109 5.719
130 HG22 ILE 13 HG22 ILE 13 3.655 1.103 5.525
131 HG23 ILE 13 HG23 ILE 13 3.580 -0.496 4.782
132 HD11 ILE 13 HD11 ILE 13 -0.171 2.840 5.215
133 HD12 ILE 13 HD12 ILE 13 0.694 1.483 5.937
134 HD13 ILE 13 HD13 ILE 13 -0.286 1.236 4.493
135 H LEU 14 HN LEU 14 3.005 -0.548 1.278
136 HA LEU 14 HA LEU 14 5.038 -2.314 2.165
137 HB2 LEU 14 HB2 LEU 14 3.022 -2.473 -0.049
138 HB3 LEU 14 HB1 LEU 14 4.322 -3.636 0.035
139 HG LEU 14 HG LEU 14 2.305 -4.573 0.977
140 HD11 LEU 14 HD11 LEU 14 4.405 -5.274 1.939
141 HD12 LEU 14 HD12 LEU 14 3.114 -5.292 3.135
142 HD13 LEU 14 HD13 LEU 14 4.300 -3.991 3.146
143 HD21 LEU 14 HD21 LEU 14 1.256 -3.691 3.002
144 HD22 LEU 14 HD22 LEU 14 1.189 -2.508 1.694
145 HD23 LEU 14 HD23 LEU 14 2.369 -2.324 2.990
146 H ALA 15 HN ALA 15 4.995 0.191 -0.228
147 HA ALA 15 HA ALA 15 7.104 -0.912 -1.806
148 HB1 ALA 15 HB1 ALA 15 5.482 0.692 -2.724
149 HB2 ALA 15 HB2 ALA 15 7.147 1.237 -2.919
150 HB3 ALA 15 HB3 ALA 15 6.131 1.939 -1.657
151 H LYS 16 HN LYS 16 6.958 0.714 1.162
152 HA LYS 16 HA LYS 16 9.635 1.730 1.119
153 HB2 LYS 16 HB2 LYS 16 7.870 1.042 3.470
154 HB3 LYS 16 HB1 LYS 16 9.407 1.874 3.587
155 HG2 LYS 16 HG2 LYS 16 8.430 3.712 2.211
156 HG3 LYS 16 HG1 LYS 16 6.873 2.881 2.315
157 HD2 LYS 16 HD2 LYS 16 6.959 3.001 4.743
158 HD3 LYS 16 HD1 LYS 16 8.527 3.800 4.661
159 HE2 LYS 16 HE2 LYS 16 7.447 5.652 3.407
160 HE3 LYS 16 HE1 LYS 16 5.896 4.851 3.647
161 HZ1 LYS 16 HZ1 LYS 16 6.250 6.569 5.302
162 HZ2 LYS 16 HZ2 LYS 16 7.682 5.850 5.796
163 HZ3 LYS 16 HZ3 LYS 16 6.220 5.070 6.067
164 H ILE 17 HN ILE 17 8.088 -1.259 1.891
165 HA ILE 17 HA ILE 17 10.516 -2.398 3.033
166 HB ILE 17 HB ILE 17 7.917 -3.800 2.317
167 HG12 ILE 17 HG12 ILE 17 8.783 -2.716 5.006
168 HG13 ILE 17 HG11 ILE 17 7.580 -1.958 3.967
169 HG21 ILE 17 HG21 ILE 17 8.682 -5.519 3.902
170 HG22 ILE 17 HG22 ILE 17 10.174 -4.618 4.156
171 HG23 ILE 17 HG23 ILE 17 9.823 -5.311 2.572
172 HD11 ILE 17 HD11 ILE 17 6.160 -3.941 4.198
173 HD12 ILE 17 HD12 ILE 17 6.534 -3.218 5.762
174 HD13 ILE 17 HD13 ILE 17 7.373 -4.679 5.244
175 H PHE 18 HN PHE 18 8.382 -2.917 0.187
176 HA PHE 18 HA PHE 18 10.474 -4.411 -1.089
177 HB2 PHE 18 HB2 PHE 18 7.522 -4.121 -1.614
178 HB3 PHE 18 HB1 PHE 18 8.634 -5.127 -2.517
179 HD1 PHE 18 HD1 PHE 18 6.639 -4.792 0.497
180 HD2 PHE 18 HD2 PHE 18 9.570 -7.172 -1.461
181 HE1 PHE 18 HE1 PHE 18 6.188 -6.632 2.070
182 HE2 PHE 18 HE2 PHE 18 9.127 -9.015 0.107
183 HZ PHE 18 HZ PHE 18 7.434 -8.746 1.875
184 H LYS 19 HN LYS 19 11.715 -2.747 -1.986
185 HA LYS 19 HA LYS 19 10.466 -0.544 -3.314
186 HB2 LYS 19 HB2 LYS 19 13.361 -1.419 -3.153
187 HB3 LYS 19 HB1 LYS 19 12.817 0.014 -3.995
188 HG2 LYS 19 HG2 LYS 19 13.735 0.631 -1.893
189 HG3 LYS 19 HG1 LYS 19 11.997 0.937 -1.832
190 HD2 LYS 19 HD2 LYS 19 12.726 0.004 0.270
191 HD3 LYS 19 HD1 LYS 19 11.788 -1.223 -0.575
192 HE2 LYS 19 HE2 LYS 19 13.865 -2.299 -1.320
193 HE3 LYS 19 HE1 LYS 19 14.803 -1.061 -0.487
194 HZ1 LYS 19 HZ1 LYS 19 14.591 -3.124 0.805
195 HZ2 LYS 19 HZ2 LYS 19 12.923 -2.944 0.842
196 HZ3 LYS 19 HZ3 LYS 19 13.910 -1.804 1.596
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 -17.538 -1.272 5.622
2 H3 PRO 1 HT2 PRO 1 -18.245 0.202 5.459
3 HA PRO 1 HA PRO 1 -16.917 1.143 7.206
4 HB2 PRO 1 HB2 PRO 1 -14.698 -0.502 7.039
5 HB3 PRO 1 HB1 PRO 1 -15.783 -0.384 8.433
6 HG2 PRO 1 HG2 PRO 1 -15.755 -2.396 6.226
7 HG3 PRO 1 HG1 PRO 1 -16.122 -2.625 7.944
8 HD2 PRO 1 HD2 PRO 1 -18.097 -2.605 6.179
9 HD3 PRO 1 HD1 PRO 1 -18.258 -1.832 7.742
10 H MET 2 HN MET 2 -15.491 2.541 6.296
11 HA MET 2 HA MET 2 -15.131 2.281 3.435
12 HB2 MET 2 HB2 MET 2 -14.481 4.530 5.339
13 HB3 MET 2 HB1 MET 2 -14.316 4.610 3.590
14 HG2 MET 2 HG2 MET 2 -16.693 4.327 3.320
15 HG3 MET 2 HG1 MET 2 -16.893 4.127 5.058
16 HE1 MET 2 HE1 MET 2 -18.552 7.580 4.291
17 HE2 MET 2 HE2 MET 2 -18.755 6.036 5.104
18 HE3 MET 2 HE3 MET 2 -18.575 6.088 3.349
19 H ALA 3 HN ALA 3 -13.056 2.667 2.471
20 HA ALA 3 HA ALA 3 -11.013 1.201 3.825
21 HB1 ALA 3 HB1 ALA 3 -11.387 0.891 1.420
22 HB2 ALA 3 HB2 ALA 3 -9.748 1.460 1.743
23 HB3 ALA 3 HB3 ALA 3 -10.968 2.580 1.138
24 H ARG 4 HN ARG 4 -10.168 2.265 5.428
25 HA ARG 4 HA ARG 4 -9.591 5.073 5.486
26 HB2 ARG 4 HB2 ARG 4 -8.383 2.875 7.158
27 HB3 ARG 4 HB1 ARG 4 -8.389 4.588 7.528
28 HG2 ARG 4 HG2 ARG 4 -10.806 4.520 7.790
29 HG3 ARG 4 HG1 ARG 4 -10.793 2.795 7.402
30 HD2 ARG 4 HD2 ARG 4 -10.849 3.120 9.810
31 HD3 ARG 4 HD1 ARG 4 -9.328 2.383 9.302
32 HE ARG 4 HE ARG 4 -9.547 5.255 9.718
33 HH11 ARG 4 HH11 ARG 4 -7.928 2.182 10.450
34 HH12 ARG 4 HH12 ARG 4 -6.788 2.878 11.514
35 HH21 ARG 4 HH21 ARG 4 -7.979 6.178 11.248
36 HH22 ARG 4 HH22 ARG 4 -6.807 5.154 11.963
37 H ASN 5 HN ASN 5 -7.689 2.185 5.325
38 HA ASN 5 HA ASN 5 -5.423 3.657 4.265
39 HB2 ASN 5 HB2 ASN 5 -4.889 1.972 5.959
40 HB3 ASN 5 HB1 ASN 5 -5.710 0.731 5.022
41 HD21 ASN 5 HD21 ASN 5 -4.635 -0.241 3.355
42 HD22 ASN 5 HD22 ASN 5 -2.979 0.068 2.986
43 H LYS 6 HN LYS 6 -6.075 4.259 2.341
44 HA LYS 6 HA LYS 6 -7.463 2.742 0.431
45 HB2 LYS 6 HB2 LYS 6 -5.479 4.968 -0.079
46 HB3 LYS 6 HB1 LYS 6 -6.743 4.429 -1.165
47 HG2 LYS 6 HG2 LYS 6 -8.440 5.253 0.393
48 HG3 LYS 6 HG1 LYS 6 -7.166 5.779 1.499
49 HD2 LYS 6 HD2 LYS 6 -6.263 7.227 -0.303
50 HD3 LYS 6 HD1 LYS 6 -7.625 6.755 -1.314
51 HE2 LYS 6 HE2 LYS 6 -7.794 8.229 1.323
52 HE3 LYS 6 HE1 LYS 6 -7.965 8.942 -0.270
53 HZ1 LYS 6 HZ1 LYS 6 -10.120 8.538 0.760
54 HZ2 LYS 6 HZ2 LYS 6 -9.809 6.903 0.879
55 HZ3 LYS 6 HZ3 LYS 6 -9.957 7.625 -0.627
56 HA PRO 7 HA PRO 7 -4.391 -0.107 -1.235
57 HB2 PRO 7 HB2 PRO 7 -5.398 0.929 -3.850
58 HB3 PRO 7 HB1 PRO 7 -5.152 -0.741 -3.336
59 HG2 PRO 7 HG2 PRO 7 -7.600 0.294 -3.398
60 HG3 PRO 7 HG1 PRO 7 -7.103 -0.787 -2.084
61 HD2 PRO 7 HD2 PRO 7 -7.506 2.162 -2.051
62 HD3 PRO 7 HD1 PRO 7 -7.734 0.965 -0.766
63 H LYS 8 HN LYS 8 -4.683 3.159 -2.521
64 HA LYS 8 HA LYS 8 -2.206 3.573 -3.755
65 HB2 LYS 8 HB2 LYS 8 -3.848 5.423 -2.024
66 HB3 LYS 8 HB1 LYS 8 -2.421 5.942 -2.897
67 HG2 LYS 8 HG2 LYS 8 -4.829 4.737 -4.203
68 HG3 LYS 8 HG1 LYS 8 -4.596 6.475 -3.988
69 HD2 LYS 8 HD2 LYS 8 -2.495 6.303 -5.263
70 HD3 LYS 8 HD1 LYS 8 -2.814 4.584 -5.512
71 HE2 LYS 8 HE2 LYS 8 -4.817 5.094 -6.725
72 HE3 LYS 8 HE1 LYS 8 -4.637 6.807 -6.363
73 HZ1 LYS 8 HZ1 LYS 8 -3.898 6.260 -8.592
74 HZ2 LYS 8 HZ2 LYS 8 -2.729 5.205 -7.976
75 HZ3 LYS 8 HZ3 LYS 8 -2.622 6.847 -7.658
76 H ILE 9 HN ILE 9 -3.103 4.149 -0.412
77 HA ILE 9 HA ILE 9 -0.548 4.894 0.537
78 HB ILE 9 HB ILE 9 -2.913 3.811 2.107
79 HG12 ILE 9 HG12 ILE 9 -2.247 6.681 1.413
80 HG13 ILE 9 HG11 ILE 9 -3.505 5.735 0.634
81 HG21 ILE 9 HG21 ILE 9 -1.971 5.111 3.962
82 HG22 ILE 9 HG22 ILE 9 -0.608 5.577 2.947
83 HG23 ILE 9 HG23 ILE 9 -0.834 3.886 3.396
84 HD11 ILE 9 HD11 ILE 9 -4.692 5.567 2.761
85 HD12 ILE 9 HD12 ILE 9 -4.418 7.250 2.306
86 HD13 ILE 9 HD13 ILE 9 -3.412 6.491 3.541
87 H LEU 10 HN LEU 10 -2.393 1.934 0.472
88 HA LEU 10 HA LEU 10 -0.802 0.230 1.982
89 HB2 LEU 10 HB2 LEU 10 -3.074 -0.272 1.126
90 HB3 LEU 10 HB1 LEU 10 -2.408 -0.403 -0.484
91 HG LEU 10 HG LEU 10 -1.064 -2.342 0.264
92 HD11 LEU 10 HD11 LEU 10 -0.945 -1.851 2.646
93 HD12 LEU 10 HD12 LEU 10 -1.643 -3.446 2.373
94 HD13 LEU 10 HD13 LEU 10 -2.685 -2.088 2.794
95 HD21 LEU 10 HD21 LEU 10 -4.046 -2.558 0.652
96 HD22 LEU 10 HD22 LEU 10 -2.951 -3.908 0.359
97 HD23 LEU 10 HD23 LEU 10 -3.178 -2.673 -0.880
98 H LYS 11 HN LYS 11 -0.731 0.864 -1.529
99 HA LYS 11 HA LYS 11 1.473 -0.816 -2.012
100 HB2 LYS 11 HB2 LYS 11 0.422 1.491 -3.639
101 HB3 LYS 11 HB1 LYS 11 1.692 0.405 -4.180
102 HG2 LYS 11 HG2 LYS 11 0.133 -1.480 -4.001
103 HG3 LYS 11 HG1 LYS 11 -1.136 -0.363 -3.505
104 HD2 LYS 11 HD2 LYS 11 -0.915 0.822 -5.643
105 HD3 LYS 11 HD1 LYS 11 0.337 -0.319 -6.137
106 HE2 LYS 11 HE2 LYS 11 -1.267 -2.157 -5.942
107 HE3 LYS 11 HE1 LYS 11 -2.512 -1.010 -5.456
108 HZ1 LYS 11 HZ1 LYS 11 -2.261 0.066 -7.636
109 HZ2 LYS 11 HZ2 LYS 11 -2.734 -1.545 -7.742
110 HZ3 LYS 11 HZ3 LYS 11 -1.147 -1.131 -8.089
111 H ARG 12 HN ARG 12 1.274 2.599 -1.231
112 HA ARG 12 HA ARG 12 4.006 3.177 -1.601
113 HB2 ARG 12 HB2 ARG 12 1.846 4.475 0.001
114 HB3 ARG 12 HB1 ARG 12 3.511 4.835 0.407
115 HG2 ARG 12 HG2 ARG 12 2.635 6.560 -1.021
116 HG3 ARG 12 HG1 ARG 12 3.897 5.672 -1.852
117 HD2 ARG 12 HD2 ARG 12 0.958 5.157 -2.251
118 HD3 ARG 12 HD1 ARG 12 1.881 6.306 -3.213
119 HE ARG 12 HE ARG 12 3.155 3.815 -3.242
120 HH11 ARG 12 HH11 ARG 12 0.313 5.452 -4.519
121 HH12 ARG 12 HH12 ARG 12 0.142 4.477 -5.897
122 HH21 ARG 12 HH21 ARG 12 2.962 2.445 -5.167
123 HH22 ARG 12 HH22 ARG 12 1.698 2.700 -6.276
124 H ILE 13 HN ILE 13 2.325 2.367 1.456
125 HA ILE 13 HA ILE 13 4.705 2.207 2.926
126 HB ILE 13 HB ILE 13 2.600 2.444 4.139
127 HG12 ILE 13 HG12 ILE 13 3.949 -0.177 4.832
128 HG13 ILE 13 HG11 ILE 13 4.454 1.421 5.361
129 HG21 ILE 13 HG21 ILE 13 0.996 0.607 4.393
130 HG22 ILE 13 HG22 ILE 13 1.900 -0.324 3.198
131 HG23 ILE 13 HG23 ILE 13 1.114 1.183 2.730
132 HD11 ILE 13 HD11 ILE 13 3.296 0.227 7.131
133 HD12 ILE 13 HD12 ILE 13 1.879 0.041 6.098
134 HD13 ILE 13 HD13 ILE 13 2.374 1.647 6.634
135 H LEU 14 HN LEU 14 3.030 -0.270 1.074
136 HA LEU 14 HA LEU 14 4.829 -2.300 1.888
137 HB2 LEU 14 HB2 LEU 14 2.647 -2.152 -0.113
138 HB3 LEU 14 HB1 LEU 14 3.867 -3.379 -0.360
139 HG LEU 14 HG LEU 14 1.899 -4.271 0.789
140 HD11 LEU 14 HD11 LEU 14 4.030 -5.304 1.199
141 HD12 LEU 14 HD12 LEU 14 3.031 -5.363 2.649
142 HD13 LEU 14 HD13 LEU 14 4.351 -4.202 2.535
143 HD21 LEU 14 HD21 LEU 14 1.371 -3.634 3.087
144 HD22 LEU 14 HD22 LEU 14 1.193 -2.256 1.996
145 HD23 LEU 14 HD23 LEU 14 2.616 -2.386 3.033
146 H ALA 15 HN ALA 15 5.083 0.192 -0.508
147 HA ALA 15 HA ALA 15 7.168 -1.184 -1.957
148 HB1 ALA 15 HB1 ALA 15 7.479 0.946 -3.103
149 HB2 ALA 15 HB2 ALA 15 6.424 1.733 -1.927
150 HB3 ALA 15 HB3 ALA 15 5.763 0.526 -3.027
151 H LYS 16 HN LYS 16 6.855 0.869 0.732
152 HA LYS 16 HA LYS 16 9.615 1.536 0.983
153 HB2 LYS 16 HB2 LYS 16 7.835 2.945 1.891
154 HB3 LYS 16 HB1 LYS 16 7.320 1.637 2.937
155 HG2 LYS 16 HG2 LYS 16 9.265 1.855 4.290
156 HG3 LYS 16 HG1 LYS 16 10.023 2.944 3.128
157 HD2 LYS 16 HD2 LYS 16 9.083 4.142 5.092
158 HD3 LYS 16 HD1 LYS 16 8.364 4.651 3.567
159 HE2 LYS 16 HE2 LYS 16 6.429 3.183 4.019
160 HE3 LYS 16 HE1 LYS 16 7.152 2.729 5.561
161 HZ1 LYS 16 HZ1 LYS 16 6.372 5.486 4.784
162 HZ2 LYS 16 HZ2 LYS 16 6.940 4.998 6.310
163 HZ3 LYS 16 HZ3 LYS 16 5.458 4.465 5.743
164 H ILE 17 HN ILE 17 7.556 -1.044 1.990
165 HA ILE 17 HA ILE 17 9.527 -2.264 3.740
166 HB ILE 17 HB ILE 17 6.925 -3.354 2.616
167 HG12 ILE 17 HG12 ILE 17 7.527 -2.305 5.384
168 HG13 ILE 17 HG11 ILE 17 6.701 -1.389 4.130
169 HG21 ILE 17 HG21 ILE 17 8.435 -5.166 3.208
170 HG22 ILE 17 HG22 ILE 17 7.098 -5.085 4.356
171 HG23 ILE 17 HG23 ILE 17 8.685 -4.459 4.804
172 HD11 ILE 17 HD11 ILE 17 4.878 -2.996 4.143
173 HD12 ILE 17 HD12 ILE 17 5.148 -2.342 5.758
174 HD13 ILE 17 HD13 ILE 17 5.721 -3.961 5.352
175 H PHE 18 HN PHE 18 8.050 -2.937 0.568
176 HA PHE 18 HA PHE 18 10.168 -4.870 0.016
177 HB2 PHE 18 HB2 PHE 18 7.905 -5.844 0.166
178 HB3 PHE 18 HB1 PHE 18 7.331 -4.713 -1.043
179 HD1 PHE 18 HD1 PHE 18 7.902 -5.035 -3.409
180 HD2 PHE 18 HD2 PHE 18 9.196 -7.779 -0.427
181 HE1 PHE 18 HE1 PHE 18 8.405 -6.688 -5.158
182 HE2 PHE 18 HE2 PHE 18 9.710 -9.440 -2.187
183 HZ PHE 18 HZ PHE 18 9.310 -8.888 -4.548
184 H LYS 19 HN LYS 19 11.631 -3.631 -0.975
185 HA LYS 19 HA LYS 19 10.793 -2.396 -3.432
186 HB2 LYS 19 HB2 LYS 19 12.693 -0.755 -3.107
187 HB3 LYS 19 HB1 LYS 19 11.343 -0.540 -2.018
188 HG2 LYS 19 HG2 LYS 19 13.889 -1.966 -1.226
189 HG3 LYS 19 HG1 LYS 19 13.655 -0.237 -1.040
190 HD2 LYS 19 HD2 LYS 19 11.713 -0.688 0.429
191 HD3 LYS 19 HD1 LYS 19 12.021 -2.415 0.275
192 HE2 LYS 19 HE2 LYS 19 14.261 -2.070 1.255
193 HE3 LYS 19 HE1 LYS 19 13.895 -0.364 1.453
194 HZ1 LYS 19 HZ1 LYS 19 13.505 -1.499 3.518
195 HZ2 LYS 19 HZ2 LYS 19 12.519 -2.635 2.775
196 HZ3 LYS 19 HZ3 LYS 19 12.006 -1.033 2.894
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 -11.402 6.992 9.611
2 H3 PRO 1 HT2 PRO 1 -13.015 6.670 9.381
3 HA PRO 1 HA PRO 1 -13.202 8.085 7.556
4 HB2 PRO 1 HB2 PRO 1 -10.278 8.179 7.219
5 HB3 PRO 1 HB1 PRO 1 -11.487 9.418 6.854
6 HG2 PRO 1 HG2 PRO 1 -9.855 9.597 8.995
7 HG3 PRO 1 HG1 PRO 1 -11.514 10.213 9.020
8 HD2 PRO 1 HD2 PRO 1 -10.337 7.832 10.281
9 HD3 PRO 1 HD1 PRO 1 -11.651 8.803 10.851
10 H MET 2 HN MET 2 -12.081 7.350 5.368
11 HA MET 2 HA MET 2 -11.863 4.453 5.478
12 HB2 MET 2 HB2 MET 2 -12.099 6.379 3.160
13 HB3 MET 2 HB1 MET 2 -11.913 4.645 2.978
14 HG2 MET 2 HG2 MET 2 -14.019 4.296 4.144
15 HG3 MET 2 HG1 MET 2 -14.199 6.039 4.333
16 HE1 MET 2 HE1 MET 2 -16.905 4.991 1.650
17 HE2 MET 2 HE2 MET 2 -16.644 5.712 3.240
18 HE3 MET 2 HE3 MET 2 -16.329 3.997 2.988
19 H ALA 3 HN ALA 3 -9.880 3.772 5.900
20 HA ALA 3 HA ALA 3 -7.618 5.207 4.695
21 HB1 ALA 3 HB1 ALA 3 -7.557 5.021 7.141
22 HB2 ALA 3 HB2 ALA 3 -6.220 4.147 6.392
23 HB3 ALA 3 HB3 ALA 3 -7.617 3.263 7.005
24 H ARG 4 HN ARG 4 -8.804 1.946 5.361
25 HA ARG 4 HA ARG 4 -6.799 0.678 3.770
26 HB2 ARG 4 HB2 ARG 4 -9.365 -0.403 4.932
27 HB3 ARG 4 HB1 ARG 4 -8.117 -1.383 4.176
28 HG2 ARG 4 HG2 ARG 4 -6.525 -0.712 5.888
29 HG3 ARG 4 HG1 ARG 4 -7.745 0.322 6.631
30 HD2 ARG 4 HD2 ARG 4 -7.557 -1.782 7.835
31 HD3 ARG 4 HD1 ARG 4 -9.136 -1.643 7.060
32 HE ARG 4 HE ARG 4 -7.484 -2.966 5.300
33 HH11 ARG 4 HH11 ARG 4 -8.652 -3.583 8.575
34 HH12 ARG 4 HH12 ARG 4 -8.771 -5.260 8.379
35 HH21 ARG 4 HH21 ARG 4 -7.623 -5.260 5.021
36 HH22 ARG 4 HH22 ARG 4 -8.172 -6.245 6.309
37 H ASN 5 HN ASN 5 -9.731 2.166 3.067
38 HA ASN 5 HA ASN 5 -10.388 0.705 0.690
39 HB2 ASN 5 HB2 ASN 5 -12.044 2.047 2.070
40 HB3 ASN 5 HB1 ASN 5 -11.259 3.498 1.460
41 HD21 ASN 5 HD21 ASN 5 -13.184 4.213 0.506
42 HD22 ASN 5 HD22 ASN 5 -13.800 3.496 -0.928
43 H LYS 6 HN LYS 6 -7.926 2.907 1.440
44 HA LYS 6 HA LYS 6 -7.641 3.829 -1.307
45 HB2 LYS 6 HB2 LYS 6 -6.166 4.567 1.214
46 HB3 LYS 6 HB1 LYS 6 -5.946 5.309 -0.361
47 HG2 LYS 6 HG2 LYS 6 -8.141 6.249 -0.285
48 HG3 LYS 6 HG1 LYS 6 -8.511 5.373 1.208
49 HD2 LYS 6 HD2 LYS 6 -6.809 6.571 2.382
50 HD3 LYS 6 HD1 LYS 6 -6.288 7.344 0.885
51 HE2 LYS 6 HE2 LYS 6 -8.462 8.488 0.738
52 HE3 LYS 6 HE1 LYS 6 -8.986 7.675 2.210
53 HZ1 LYS 6 HZ1 LYS 6 -6.707 9.573 2.042
54 HZ2 LYS 6 HZ2 LYS 6 -7.273 8.838 3.435
55 HZ3 LYS 6 HZ3 LYS 6 -8.230 9.966 2.643
56 HA PRO 7 HA PRO 7 -4.711 0.238 -1.139
57 HB2 PRO 7 HB2 PRO 7 -4.568 -0.074 -3.855
58 HB3 PRO 7 HB1 PRO 7 -5.786 -0.850 -2.840
59 HG2 PRO 7 HG2 PRO 7 -5.993 1.639 -4.477
60 HG3 PRO 7 HG1 PRO 7 -7.165 0.319 -4.294
61 HD2 PRO 7 HD2 PRO 7 -7.455 2.634 -2.985
62 HD3 PRO 7 HD1 PRO 7 -7.896 1.091 -2.243
63 H LYS 8 HN LYS 8 -4.583 3.327 -2.703
64 HA LYS 8 HA LYS 8 -1.960 3.154 -3.699
65 HB2 LYS 8 HB2 LYS 8 -1.950 5.605 -3.796
66 HB3 LYS 8 HB1 LYS 8 -3.434 4.943 -4.450
67 HG2 LYS 8 HG2 LYS 8 -4.579 5.519 -2.320
68 HG3 LYS 8 HG1 LYS 8 -3.073 6.234 -1.750
69 HD2 LYS 8 HD2 LYS 8 -3.091 7.819 -3.587
70 HD3 LYS 8 HD1 LYS 8 -4.555 7.074 -4.227
71 HE2 LYS 8 HE2 LYS 8 -5.768 7.712 -2.201
72 HE3 LYS 8 HE1 LYS 8 -4.305 8.449 -1.554
73 HZ1 LYS 8 HZ1 LYS 8 -5.775 10.107 -2.556
74 HZ2 LYS 8 HZ2 LYS 8 -5.713 9.305 -4.029
75 HZ3 LYS 8 HZ3 LYS 8 -4.320 10.009 -3.405
76 H ILE 9 HN ILE 9 -3.167 4.118 -0.504
77 HA ILE 9 HA ILE 9 -0.546 4.874 0.350
78 HB ILE 9 HB ILE 9 -1.424 5.114 2.612
79 HG12 ILE 9 HG12 ILE 9 -4.017 3.888 1.617
80 HG13 ILE 9 HG11 ILE 9 -2.856 3.070 2.653
81 HG21 ILE 9 HG21 ILE 9 -3.401 6.123 0.577
82 HG22 ILE 9 HG22 ILE 9 -1.912 6.919 1.083
83 HG23 ILE 9 HG23 ILE 9 -3.240 6.724 2.227
84 HD11 ILE 9 HD11 ILE 9 -4.742 3.921 3.930
85 HD12 ILE 9 HD12 ILE 9 -4.408 5.555 3.356
86 HD13 ILE 9 HD13 ILE 9 -3.249 4.733 4.403
87 H LEU 10 HN LEU 10 -2.475 2.029 0.401
88 HA LEU 10 HA LEU 10 -0.891 0.481 2.153
89 HB2 LEU 10 HB2 LEU 10 -2.719 -0.421 -0.070
90 HB3 LEU 10 HB1 LEU 10 -2.081 -1.446 1.196
91 HG LEU 10 HG LEU 10 -4.001 0.854 1.594
92 HD11 LEU 10 HD11 LEU 10 -5.041 -1.049 0.500
93 HD12 LEU 10 HD12 LEU 10 -5.614 -0.886 2.158
94 HD13 LEU 10 HD13 LEU 10 -4.421 -2.120 1.755
95 HD21 LEU 10 HD21 LEU 10 -2.540 0.578 3.532
96 HD22 LEU 10 HD22 LEU 10 -2.899 -1.147 3.573
97 HD23 LEU 10 HD23 LEU 10 -4.174 0.025 3.903
98 H LYS 11 HN LYS 11 -0.886 0.940 -1.336
99 HA LYS 11 HA LYS 11 1.133 -0.941 -1.923
100 HB2 LYS 11 HB2 LYS 11 -0.332 -0.133 -3.674
101 HB3 LYS 11 HB1 LYS 11 0.192 1.520 -3.410
102 HG2 LYS 11 HG2 LYS 11 1.181 0.627 -5.432
103 HG3 LYS 11 HG1 LYS 11 2.428 0.936 -4.228
104 HD2 LYS 11 HD2 LYS 11 2.431 -1.469 -3.655
105 HD3 LYS 11 HD1 LYS 11 1.221 -1.747 -4.914
106 HE2 LYS 11 HE2 LYS 11 2.789 -0.881 -6.591
107 HE3 LYS 11 HE1 LYS 11 3.985 -0.626 -5.325
108 HZ1 LYS 11 HZ1 LYS 11 4.372 -2.666 -6.542
109 HZ2 LYS 11 HZ2 LYS 11 2.871 -3.264 -6.122
110 HZ3 LYS 11 HZ3 LYS 11 4.037 -2.999 -4.933
111 H ARG 12 HN ARG 12 1.221 2.551 -1.294
112 HA ARG 12 HA ARG 12 3.966 2.839 -1.772
113 HB2 ARG 12 HB2 ARG 12 2.187 4.511 0.001
114 HB3 ARG 12 HB1 ARG 12 3.821 4.950 -0.476
115 HG2 ARG 12 HG2 ARG 12 3.085 4.900 -2.844
116 HG3 ARG 12 HG1 ARG 12 1.439 4.611 -2.283
117 HD2 ARG 12 HD2 ARG 12 1.719 6.959 -2.733
118 HD3 ARG 12 HD1 ARG 12 1.558 6.713 -0.993
119 HE ARG 12 HE ARG 12 4.251 6.785 -2.020
120 HH11 ARG 12 HH11 ARG 12 1.649 8.632 -0.519
121 HH12 ARG 12 HH12 ARG 12 2.646 9.892 0.027
122 HH21 ARG 12 HH21 ARG 12 5.624 8.508 -1.287
123 HH22 ARG 12 HH22 ARG 12 4.989 9.827 -0.422
124 H ILE 13 HN ILE 13 2.250 2.363 1.329
125 HA ILE 13 HA ILE 13 4.640 2.293 2.816
126 HB ILE 13 HB ILE 13 3.379 1.268 4.659
127 HG12 ILE 13 HG12 ILE 13 1.078 1.106 2.696
128 HG13 ILE 13 HG11 ILE 13 1.978 -0.270 3.315
129 HG21 ILE 13 HG21 ILE 13 3.245 3.668 4.359
130 HG22 ILE 13 HG22 ILE 13 1.711 3.044 4.968
131 HG23 ILE 13 HG23 ILE 13 1.873 3.475 3.266
132 HD11 ILE 13 HD11 ILE 13 1.173 0.228 5.566
133 HD12 ILE 13 HD12 ILE 13 -0.157 -0.037 4.437
134 HD13 ILE 13 HD13 ILE 13 0.266 1.602 4.934
135 H LEU 14 HN LEU 14 3.047 -0.122 0.924
136 HA LEU 14 HA LEU 14 4.447 -2.379 1.932
137 HB2 LEU 14 HB2 LEU 14 2.401 -2.565 0.556
138 HB3 LEU 14 HB1 LEU 14 3.263 -1.880 -0.801
139 HG LEU 14 HG LEU 14 4.766 -3.863 -0.791
140 HD11 LEU 14 HD11 LEU 14 4.078 -5.857 0.433
141 HD12 LEU 14 HD12 LEU 14 2.818 -4.926 1.244
142 HD13 LEU 14 HD13 LEU 14 4.517 -4.542 1.522
143 HD21 LEU 14 HD21 LEU 14 1.821 -4.425 -1.084
144 HD22 LEU 14 HD22 LEU 14 3.127 -5.388 -1.777
145 HD23 LEU 14 HD23 LEU 14 2.876 -3.727 -2.313
146 H ALA 15 HN ALA 15 5.082 0.105 -0.490
147 HA ALA 15 HA ALA 15 7.364 -1.225 -1.556
148 HB1 ALA 15 HB1 ALA 15 6.502 1.658 -1.792
149 HB2 ALA 15 HB2 ALA 15 6.055 0.357 -2.895
150 HB3 ALA 15 HB3 ALA 15 7.738 0.868 -2.769
151 H LYS 16 HN LYS 16 6.709 0.804 1.066
152 HA LYS 16 HA LYS 16 9.421 1.699 1.475
153 HB2 LYS 16 HB2 LYS 16 7.456 3.068 2.094
154 HB3 LYS 16 HB1 LYS 16 7.023 1.871 3.303
155 HG2 LYS 16 HG2 LYS 16 9.175 2.308 4.457
156 HG3 LYS 16 HG1 LYS 16 9.511 3.579 3.282
157 HD2 LYS 16 HD2 LYS 16 7.169 3.491 5.188
158 HD3 LYS 16 HD1 LYS 16 8.596 4.510 5.357
159 HE2 LYS 16 HE2 LYS 16 8.019 5.660 3.263
160 HE3 LYS 16 HE1 LYS 16 6.602 4.631 3.088
161 HZ1 LYS 16 HZ1 LYS 16 6.004 6.752 3.991
162 HZ2 LYS 16 HZ2 LYS 16 7.064 6.581 5.284
163 HZ3 LYS 16 HZ3 LYS 16 5.722 5.568 5.148
164 H ILE 17 HN ILE 17 7.156 -0.487 3.117
165 HA ILE 17 HA ILE 17 9.073 -1.268 5.084
166 HB ILE 17 HB ILE 17 6.351 -2.444 4.447
167 HG12 ILE 17 HG12 ILE 17 7.171 -0.477 6.600
168 HG13 ILE 17 HG11 ILE 17 6.314 -0.052 5.125
169 HG21 ILE 17 HG21 ILE 17 7.748 -4.030 5.670
170 HG22 ILE 17 HG22 ILE 17 6.449 -3.419 6.696
171 HG23 ILE 17 HG23 ILE 17 8.087 -2.805 6.894
172 HD11 ILE 17 HD11 ILE 17 4.419 -1.427 5.841
173 HD12 ILE 17 HD12 ILE 17 4.803 -0.180 7.027
174 HD13 ILE 17 HD13 ILE 17 5.287 -1.851 7.316
175 H PHE 18 HN PHE 18 7.658 -2.873 2.231
176 HA PHE 18 HA PHE 18 9.168 -5.269 2.833
177 HB2 PHE 18 HB2 PHE 18 6.795 -5.481 2.276
178 HB3 PHE 18 HB1 PHE 18 7.072 -4.694 0.733
179 HD1 PHE 18 HD1 PHE 18 7.362 -6.015 -1.138
180 HD2 PHE 18 HD2 PHE 18 8.179 -7.651 2.702
181 HE1 PHE 18 HE1 PHE 18 7.726 -8.218 -2.158
182 HE2 PHE 18 HE2 PHE 18 8.547 -9.853 1.687
183 HZ PHE 18 HZ PHE 18 8.318 -10.139 -0.747
184 H LYS 19 HN LYS 19 11.236 -4.966 2.313
185 HA LYS 19 HA LYS 19 11.781 -4.496 -0.484
186 HB2 LYS 19 HB2 LYS 19 13.978 -3.319 0.431
187 HB3 LYS 19 HB1 LYS 19 12.486 -2.425 0.231
188 HG2 LYS 19 HG2 LYS 19 13.402 -1.751 2.321
189 HG3 LYS 19 HG1 LYS 19 12.048 -2.805 2.694
190 HD2 LYS 19 HD2 LYS 19 13.649 -4.665 3.053
191 HD3 LYS 19 HD1 LYS 19 14.968 -3.540 2.737
192 HE2 LYS 19 HE2 LYS 19 14.691 -3.811 5.122
193 HE3 LYS 19 HE1 LYS 19 14.235 -2.176 4.649
194 HZ1 LYS 19 HZ1 LYS 19 11.902 -2.840 4.759
195 HZ2 LYS 19 HZ2 LYS 19 12.665 -3.107 6.219
196 HZ3 LYS 19 HZ3 LYS 19 12.337 -4.401 5.199
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 -18.708 -4.346 2.845
2 H3 PRO 1 HT2 PRO 1 -19.405 -5.598 2.093
3 HA PRO 1 HA PRO 1 -17.244 -5.224 1.224
4 HB2 PRO 1 HB2 PRO 1 -18.149 -4.100 -1.119
5 HB3 PRO 1 HB1 PRO 1 -18.274 -5.816 -0.713
6 HG2 PRO 1 HG2 PRO 1 -20.331 -3.661 -0.463
7 HG3 PRO 1 HG1 PRO 1 -20.535 -5.356 -0.938
8 HD2 PRO 1 HD2 PRO 1 -21.258 -4.557 1.474
9 HD3 PRO 1 HD1 PRO 1 -20.509 -6.116 1.200
10 H MET 2 HN MET 2 -15.780 -3.752 1.876
11 HA MET 2 HA MET 2 -15.866 -1.117 0.736
12 HB2 MET 2 HB2 MET 2 -15.568 0.030 2.923
13 HB3 MET 2 HB1 MET 2 -17.160 -0.687 2.749
14 HG2 MET 2 HG2 MET 2 -16.446 -2.584 4.138
15 HG3 MET 2 HG1 MET 2 -14.863 -1.844 4.328
16 HE1 MET 2 HE1 MET 2 -15.599 1.214 4.663
17 HE2 MET 2 HE2 MET 2 -14.445 0.407 5.728
18 HE3 MET 2 HE3 MET 2 -15.754 1.372 6.412
19 H ALA 3 HN ALA 3 -13.827 -0.373 0.396
20 HA ALA 3 HA ALA 3 -11.657 -2.136 1.059
21 HB1 ALA 3 HB1 ALA 3 -11.723 -1.030 -1.145
22 HB2 ALA 3 HB2 ALA 3 -10.293 -0.542 -0.236
23 HB3 ALA 3 HB3 ALA 3 -11.672 0.548 -0.354
24 H ARG 4 HN ARG 4 -10.565 -1.972 2.882
25 HA ARG 4 HA ARG 4 -11.177 0.195 4.669
26 HB2 ARG 4 HB2 ARG 4 -9.320 -2.154 5.101
27 HB3 ARG 4 HB1 ARG 4 -9.936 -1.056 6.318
28 HG2 ARG 4 HG2 ARG 4 -11.538 -3.050 4.732
29 HG3 ARG 4 HG1 ARG 4 -11.116 -3.153 6.439
30 HD2 ARG 4 HD2 ARG 4 -12.936 -1.163 5.109
31 HD3 ARG 4 HD1 ARG 4 -13.382 -2.416 6.263
32 HE ARG 4 HE ARG 4 -11.608 -0.196 6.996
33 HH11 ARG 4 HH11 ARG 4 -14.519 -2.122 7.651
34 HH12 ARG 4 HH12 ARG 4 -14.913 -1.276 9.063
35 HH21 ARG 4 HH21 ARG 4 -12.203 1.005 8.900
36 HH22 ARG 4 HH22 ARG 4 -13.564 0.555 9.797
37 H ASN 5 HN ASN 5 -8.137 -1.316 3.967
38 HA ASN 5 HA ASN 5 -6.745 1.185 4.328
39 HB2 ASN 5 HB2 ASN 5 -5.770 -0.897 5.209
40 HB3 ASN 5 HB1 ASN 5 -5.723 -1.576 3.589
41 HD21 ASN 5 HD21 ASN 5 -3.489 -1.908 3.971
42 HD22 ASN 5 HD22 ASN 5 -2.354 -0.626 3.793
43 H LYS 6 HN LYS 6 -6.496 2.561 2.786
44 HA LYS 6 HA LYS 6 -7.563 2.168 0.218
45 HB2 LYS 6 HB2 LYS 6 -5.634 4.354 1.020
46 HB3 LYS 6 HB1 LYS 6 -6.791 4.393 -0.299
47 HG2 LYS 6 HG2 LYS 6 -7.442 4.325 2.637
48 HG3 LYS 6 HG1 LYS 6 -7.548 5.729 1.583
49 HD2 LYS 6 HD2 LYS 6 -9.307 4.679 0.301
50 HD3 LYS 6 HD1 LYS 6 -9.132 3.187 1.230
51 HE2 LYS 6 HE2 LYS 6 -9.963 5.860 2.339
52 HE3 LYS 6 HE1 LYS 6 -11.043 4.511 2.007
53 HZ1 LYS 6 HZ1 LYS 6 -9.711 3.199 3.653
54 HZ2 LYS 6 HZ2 LYS 6 -10.532 4.493 4.302
55 HZ3 LYS 6 HZ3 LYS 6 -8.883 4.619 4.041
56 HA PRO 7 HA PRO 7 -4.442 -0.331 -1.715
57 HB2 PRO 7 HB2 PRO 7 -5.471 1.147 -4.098
58 HB3 PRO 7 HB1 PRO 7 -5.168 -0.584 -3.895
59 HG2 PRO 7 HG2 PRO 7 -7.640 0.354 -3.759
60 HG3 PRO 7 HG1 PRO 7 -7.097 -0.908 -2.641
61 HD2 PRO 7 HD2 PRO 7 -7.583 1.987 -2.135
62 HD3 PRO 7 HD1 PRO 7 -7.776 0.590 -1.057
63 H LYS 8 HN LYS 8 -4.664 3.089 -2.445
64 HA LYS 8 HA LYS 8 -2.179 3.283 -3.809
65 HB2 LYS 8 HB2 LYS 8 -3.770 5.456 -2.451
66 HB3 LYS 8 HB1 LYS 8 -2.480 5.704 -3.617
67 HG2 LYS 8 HG2 LYS 8 -3.805 4.667 -5.344
68 HG3 LYS 8 HG1 LYS 8 -5.068 4.280 -4.173
69 HD2 LYS 8 HD2 LYS 8 -5.342 6.706 -3.748
70 HD3 LYS 8 HD1 LYS 8 -4.171 7.028 -5.023
71 HE2 LYS 8 HE2 LYS 8 -5.614 5.927 -6.654
72 HE3 LYS 8 HE1 LYS 8 -6.773 5.544 -5.384
73 HZ1 LYS 8 HZ1 LYS 8 -7.458 7.487 -6.631
74 HZ2 LYS 8 HZ2 LYS 8 -6.010 8.272 -6.256
75 HZ3 LYS 8 HZ3 LYS 8 -7.098 7.917 -5.037
76 H ILE 9 HN ILE 9 -3.115 4.406 -0.498
77 HA ILE 9 HA ILE 9 -0.412 4.889 0.163
78 HB ILE 9 HB ILE 9 -2.280 6.064 1.354
79 HG12 ILE 9 HG12 ILE 9 -1.350 5.922 3.652
80 HG13 ILE 9 HG11 ILE 9 -0.450 4.489 3.174
81 HG21 ILE 9 HG21 ILE 9 -3.552 4.968 3.105
82 HG22 ILE 9 HG22 ILE 9 -2.720 3.450 2.776
83 HG23 ILE 9 HG23 ILE 9 -3.795 4.135 1.563
84 HD11 ILE 9 HD11 ILE 9 0.954 6.474 3.194
85 HD12 ILE 9 HD12 ILE 9 -0.103 7.249 2.012
86 HD13 ILE 9 HD13 ILE 9 0.821 5.813 1.568
87 H LEU 10 HN LEU 10 -2.504 2.140 0.454
88 HA LEU 10 HA LEU 10 -1.106 0.421 2.122
89 HB2 LEU 10 HB2 LEU 10 -3.344 0.026 1.062
90 HB3 LEU 10 HB1 LEU 10 -2.551 -0.228 -0.465
91 HG LEU 10 HG LEU 10 -2.208 -2.062 1.934
92 HD11 LEU 10 HD11 LEU 10 -4.529 -2.003 1.229
93 HD12 LEU 10 HD12 LEU 10 -3.782 -3.538 0.788
94 HD13 LEU 10 HD13 LEU 10 -4.046 -2.302 -0.440
95 HD21 LEU 10 HD21 LEU 10 -1.626 -2.501 -1.008
96 HD22 LEU 10 HD22 LEU 10 -1.414 -3.691 0.276
97 HD23 LEU 10 HD23 LEU 10 -0.408 -2.243 0.240
98 H LYS 11 HN LYS 11 -0.835 0.936 -1.337
99 HA LYS 11 HA LYS 11 1.283 -0.819 -1.850
100 HB2 LYS 11 HB2 LYS 11 -0.288 0.037 -3.527
101 HB3 LYS 11 HB1 LYS 11 0.390 1.637 -3.333
102 HG2 LYS 11 HG2 LYS 11 2.462 0.952 -4.294
103 HG3 LYS 11 HG1 LYS 11 1.947 -0.741 -4.310
104 HD2 LYS 11 HD2 LYS 11 0.105 -0.155 -5.807
105 HD3 LYS 11 HD1 LYS 11 0.652 1.521 -5.806
106 HE2 LYS 11 HE2 LYS 11 2.668 0.936 -6.904
107 HE3 LYS 11 HE1 LYS 11 2.343 -0.789 -6.715
108 HZ1 LYS 11 HZ1 LYS 11 0.717 1.090 -8.344
109 HZ2 LYS 11 HZ2 LYS 11 0.448 -0.561 -8.153
110 HZ3 LYS 11 HZ3 LYS 11 1.833 -0.032 -8.939
111 H ARG 12 HN ARG 12 1.162 2.606 -1.070
112 HA ARG 12 HA ARG 12 3.893 3.114 -1.492
113 HB2 ARG 12 HB2 ARG 12 1.651 4.597 -0.625
114 HB3 ARG 12 HB1 ARG 12 2.888 4.781 0.615
115 HG2 ARG 12 HG2 ARG 12 3.089 6.548 -0.997
116 HG3 ARG 12 HG1 ARG 12 4.487 5.481 -1.134
117 HD2 ARG 12 HD2 ARG 12 3.760 6.004 -3.339
118 HD3 ARG 12 HD1 ARG 12 3.311 4.333 -3.025
119 HE ARG 12 HE ARG 12 1.208 6.106 -2.352
120 HH11 ARG 12 HH11 ARG 12 2.679 4.419 -5.092
121 HH12 ARG 12 HH12 ARG 12 1.351 4.643 -6.123
122 HH21 ARG 12 HH21 ARG 12 -0.578 6.411 -3.730
123 HH22 ARG 12 HH22 ARG 12 -0.574 5.828 -5.341
124 H ILE 13 HN ILE 13 2.145 2.370 1.510
125 HA ILE 13 HA ILE 13 4.343 2.340 3.249
126 HB ILE 13 HB ILE 13 1.849 0.598 3.399
127 HG12 ILE 13 HG12 ILE 13 2.354 3.280 4.709
128 HG13 ILE 13 HG11 ILE 13 1.432 3.075 3.225
129 HG21 ILE 13 HG21 ILE 13 2.301 0.527 5.813
130 HG22 ILE 13 HG22 ILE 13 3.768 1.473 5.566
131 HG23 ILE 13 HG23 ILE 13 3.645 -0.152 4.893
132 HD11 ILE 13 HD11 ILE 13 -0.013 3.308 5.183
133 HD12 ILE 13 HD12 ILE 13 0.727 1.871 5.897
134 HD13 ILE 13 HD13 ILE 13 -0.209 1.736 4.411
135 H LEU 14 HN LEU 14 2.898 -0.176 1.282
136 HA LEU 14 HA LEU 14 4.582 -2.290 2.018
137 HB2 LEU 14 HB2 LEU 14 2.410 -2.581 0.919
138 HB3 LEU 14 HB1 LEU 14 3.029 -1.818 -0.526
139 HG LEU 14 HG LEU 14 4.608 -3.710 -0.809
140 HD11 LEU 14 HD11 LEU 14 3.098 -4.913 1.502
141 HD12 LEU 14 HD12 LEU 14 4.795 -4.431 1.500
142 HD13 LEU 14 HD13 LEU 14 4.253 -5.760 0.476
143 HD21 LEU 14 HD21 LEU 14 1.695 -4.463 -0.614
144 HD22 LEU 14 HD22 LEU 14 2.922 -5.330 -1.536
145 HD23 LEU 14 HD23 LEU 14 2.479 -3.685 -1.988
146 H ALA 15 HN ALA 15 4.960 0.362 -0.287
147 HA ALA 15 HA ALA 15 6.969 -0.897 -1.854
148 HB1 ALA 15 HB1 ALA 15 6.269 2.030 -1.664
149 HB2 ALA 15 HB2 ALA 15 5.509 0.867 -2.750
150 HB3 ALA 15 HB3 ALA 15 7.218 1.260 -2.934
151 H LYS 16 HN LYS 16 7.006 0.612 1.140
152 HA LYS 16 HA LYS 16 9.761 1.407 0.983
153 HB2 LYS 16 HB2 LYS 16 7.869 1.244 3.331
154 HB3 LYS 16 HB1 LYS 16 9.545 1.761 3.481
155 HG2 LYS 16 HG2 LYS 16 9.123 3.595 1.915
156 HG3 LYS 16 HG1 LYS 16 7.450 3.074 1.768
157 HD2 LYS 16 HD2 LYS 16 8.734 3.967 4.357
158 HD3 LYS 16 HD1 LYS 16 7.809 5.026 3.297
159 HE2 LYS 16 HE2 LYS 16 5.862 3.550 3.574
160 HE3 LYS 16 HE1 LYS 16 6.782 2.559 4.712
161 HZ1 LYS 16 HZ1 LYS 16 7.003 4.551 6.120
162 HZ2 LYS 16 HZ2 LYS 16 5.390 4.127 5.892
163 HZ3 LYS 16 HZ3 LYS 16 6.037 5.420 5.044
164 H ILE 17 HN ILE 17 8.011 -1.401 2.041
165 HA ILE 17 HA ILE 17 10.531 -2.573 2.932
166 HB ILE 17 HB ILE 17 8.708 -3.006 4.476
167 HG12 ILE 17 HG12 ILE 17 9.352 -5.552 2.977
168 HG13 ILE 17 HG11 ILE 17 10.373 -4.804 4.194
169 HG21 ILE 17 HG21 ILE 17 6.796 -2.780 3.023
170 HG22 ILE 17 HG22 ILE 17 6.712 -4.313 3.896
171 HG23 ILE 17 HG23 ILE 17 7.208 -4.288 2.204
172 HD11 ILE 17 HD11 ILE 17 9.155 -6.684 5.113
173 HD12 ILE 17 HD12 ILE 17 7.623 -5.943 4.646
174 HD13 ILE 17 HD13 ILE 17 8.635 -5.181 5.875
175 H PHE 18 HN PHE 18 7.964 -3.156 0.619
176 HA PHE 18 HA PHE 18 9.524 -5.088 -0.852
177 HB2 PHE 18 HB2 PHE 18 7.149 -5.566 -0.388
178 HB3 PHE 18 HB1 PHE 18 6.689 -4.016 -1.055
179 HD1 PHE 18 HD1 PHE 18 6.021 -3.867 -3.269
180 HD2 PHE 18 HD2 PHE 18 8.185 -7.290 -1.976
181 HE1 PHE 18 HE1 PHE 18 5.562 -4.959 -5.421
182 HE2 PHE 18 HE2 PHE 18 7.731 -8.382 -4.135
183 HZ PHE 18 HZ PHE 18 6.425 -7.225 -5.853
184 H LYS 19 HN LYS 19 11.159 -3.452 -1.310
185 HA LYS 19 HA LYS 19 10.614 -1.061 -2.625
186 HB2 LYS 19 HB2 LYS 19 13.082 -2.726 -2.362
187 HB3 LYS 19 HB1 LYS 19 13.003 -1.028 -2.815
188 HG2 LYS 19 HG2 LYS 19 12.320 -0.368 -0.667
189 HG3 LYS 19 HG1 LYS 19 11.936 -2.030 -0.194
190 HD2 LYS 19 HD2 LYS 19 14.204 -2.652 -0.285
191 HD3 LYS 19 HD1 LYS 19 14.632 -1.110 -1.005
192 HE2 LYS 19 HE2 LYS 19 15.271 -1.265 1.320
193 HE3 LYS 19 HE1 LYS 19 14.062 0.008 1.115
194 HZ1 LYS 19 HZ1 LYS 19 13.524 -2.757 2.094
195 HZ2 LYS 19 HZ2 LYS 19 12.413 -1.455 2.063
196 HZ3 LYS 19 HZ3 LYS 19 13.745 -1.416 3.070
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 -13.855 14.490 -1.168
2 H3 PRO 1 HT2 PRO 1 -12.754 15.564 -0.741
3 HA PRO 1 HA PRO 1 -11.984 14.378 -2.604
4 HB2 PRO 1 HB2 PRO 1 -10.388 12.615 -1.108
5 HB3 PRO 1 HB1 PRO 1 -9.962 14.251 -1.625
6 HG2 PRO 1 HG2 PRO 1 -11.006 13.314 0.993
7 HG3 PRO 1 HG1 PRO 1 -9.931 14.671 0.635
8 HD2 PRO 1 HD2 PRO 1 -12.470 15.108 1.309
9 HD3 PRO 1 HD1 PRO 1 -11.631 16.084 0.105
10 H MET 2 HN MET 2 -11.253 12.056 -3.292
11 HA MET 2 HA MET 2 -13.511 10.255 -2.807
12 HB2 MET 2 HB2 MET 2 -11.453 10.296 -5.022
13 HB3 MET 2 HB1 MET 2 -12.747 9.119 -4.880
14 HG2 MET 2 HG2 MET 2 -14.396 10.903 -5.131
15 HG3 MET 2 HG1 MET 2 -13.097 12.081 -5.263
16 HE1 MET 2 HE1 MET 2 -11.407 11.079 -8.667
17 HE2 MET 2 HE2 MET 2 -10.939 10.512 -7.067
18 HE3 MET 2 HE3 MET 2 -11.388 12.202 -7.305
19 H ALA 3 HN ALA 3 -13.085 8.927 -1.219
20 HA ALA 3 HA ALA 3 -12.211 7.350 0.078
21 HB1 ALA 3 HB1 ALA 3 -10.549 5.781 -0.766
22 HB2 ALA 3 HB2 ALA 3 -10.158 6.875 -2.091
23 HB3 ALA 3 HB3 ALA 3 -11.749 6.114 -2.017
24 H ARG 4 HN ARG 4 -11.348 7.922 1.895
25 HA ARG 4 HA ARG 4 -9.238 9.835 2.042
26 HB2 ARG 4 HB2 ARG 4 -10.565 8.155 4.165
27 HB3 ARG 4 HB1 ARG 4 -9.323 9.344 4.514
28 HG2 ARG 4 HG2 ARG 4 -10.765 11.097 3.580
29 HG3 ARG 4 HG1 ARG 4 -12.018 9.893 3.282
30 HD2 ARG 4 HD2 ARG 4 -12.450 11.109 5.352
31 HD3 ARG 4 HD1 ARG 4 -12.123 9.405 5.670
32 HE ARG 4 HE ARG 4 -9.725 10.808 5.849
33 HH11 ARG 4 HH11 ARG 4 -12.791 10.608 7.597
34 HH12 ARG 4 HH12 ARG 4 -12.135 10.970 9.124
35 HH21 ARG 4 HH21 ARG 4 -8.779 11.253 7.966
36 HH22 ARG 4 HH22 ARG 4 -9.772 11.326 9.339
37 H ASN 5 HN ASN 5 -9.464 6.539 3.142
38 HA ASN 5 HA ASN 5 -6.564 6.390 2.997
39 HB2 ASN 5 HB2 ASN 5 -7.660 5.562 5.079
40 HB3 ASN 5 HB1 ASN 5 -8.507 4.352 4.125
41 HD21 ASN 5 HD21 ASN 5 -5.405 5.390 5.296
42 HD22 ASN 5 HD22 ASN 5 -4.598 3.875 5.130
43 H LYS 6 HN LYS 6 -6.334 6.404 0.906
44 HA LYS 6 HA LYS 6 -7.717 4.749 -0.942
45 HB2 LYS 6 HB2 LYS 6 -5.146 6.301 -1.168
46 HB3 LYS 6 HB1 LYS 6 -5.940 5.501 -2.511
47 HG2 LYS 6 HG2 LYS 6 -7.859 6.944 -2.283
48 HG3 LYS 6 HG1 LYS 6 -7.152 7.696 -0.850
49 HD2 LYS 6 HD2 LYS 6 -5.320 8.559 -2.151
50 HD3 LYS 6 HD1 LYS 6 -5.888 7.698 -3.579
51 HE2 LYS 6 HE2 LYS 6 -6.469 10.066 -3.666
52 HE3 LYS 6 HE1 LYS 6 -7.909 9.051 -3.604
53 HZ1 LYS 6 HZ1 LYS 6 -8.176 9.582 -1.289
54 HZ2 LYS 6 HZ2 LYS 6 -8.009 11.021 -2.159
55 HZ3 LYS 6 HZ3 LYS 6 -6.715 10.427 -1.274
56 HA PRO 7 HA PRO 7 -5.357 0.960 -0.684
57 HB2 PRO 7 HB2 PRO 7 -5.182 0.384 -3.396
58 HB3 PRO 7 HB1 PRO 7 -6.560 -0.026 -2.369
59 HG2 PRO 7 HG2 PRO 7 -6.205 2.293 -4.224
60 HG3 PRO 7 HG1 PRO 7 -7.645 1.299 -3.935
61 HD2 PRO 7 HD2 PRO 7 -7.409 3.734 -2.867
62 HD3 PRO 7 HD1 PRO 7 -8.162 2.406 -1.959
63 H LYS 8 HN LYS 8 -4.473 3.584 -2.702
64 HA LYS 8 HA LYS 8 -1.869 2.866 -3.439
65 HB2 LYS 8 HB2 LYS 8 -3.174 4.742 -4.396
66 HB3 LYS 8 HB1 LYS 8 -2.952 5.630 -2.902
67 HG2 LYS 8 HG2 LYS 8 -0.550 5.694 -3.274
68 HG3 LYS 8 HG1 LYS 8 -0.742 4.742 -4.749
69 HD2 LYS 8 HD2 LYS 8 -2.169 6.528 -5.677
70 HD3 LYS 8 HD1 LYS 8 -1.894 7.476 -4.217
71 HE2 LYS 8 HE2 LYS 8 0.503 7.517 -4.701
72 HE3 LYS 8 HE1 LYS 8 0.228 6.566 -6.157
73 HZ1 LYS 8 HZ1 LYS 8 -1.121 8.338 -7.035
74 HZ2 LYS 8 HZ2 LYS 8 0.410 8.937 -6.652
75 HZ3 LYS 8 HZ3 LYS 8 -0.911 9.255 -5.647
76 H ILE 9 HN ILE 9 -3.188 4.117 -0.419
77 HA ILE 9 HA ILE 9 -0.736 5.029 0.697
78 HB ILE 9 HB ILE 9 -3.273 4.090 2.086
79 HG12 ILE 9 HG12 ILE 9 -3.715 5.992 0.616
80 HG13 ILE 9 HG11 ILE 9 -3.838 6.483 2.298
81 HG21 ILE 9 HG21 ILE 9 -2.509 5.352 4.042
82 HG22 ILE 9 HG22 ILE 9 -0.994 5.708 3.215
83 HG23 ILE 9 HG23 ILE 9 -1.400 4.042 3.630
84 HD11 ILE 9 HD11 ILE 9 -1.603 7.497 2.143
85 HD12 ILE 9 HD12 ILE 9 -2.735 8.186 0.982
86 HD13 ILE 9 HD13 ILE 9 -1.520 7.029 0.443
87 H LEU 10 HN LEU 10 -2.520 2.001 0.844
88 HA LEU 10 HA LEU 10 -0.645 0.691 2.524
89 HB2 LEU 10 HB2 LEU 10 -2.886 -0.352 0.805
90 HB3 LEU 10 HB1 LEU 10 -1.815 -1.430 1.670
91 HG LEU 10 HG LEU 10 -3.842 -1.212 2.901
92 HD11 LEU 10 HD11 LEU 10 -1.695 0.380 4.271
93 HD12 LEU 10 HD12 LEU 10 -1.812 -1.377 4.198
94 HD13 LEU 10 HD13 LEU 10 -3.047 -0.448 5.043
95 HD21 LEU 10 HD21 LEU 10 -4.667 0.918 3.778
96 HD22 LEU 10 HD22 LEU 10 -4.635 0.926 2.012
97 HD23 LEU 10 HD23 LEU 10 -3.381 1.769 2.922
98 H LYS 11 HN LYS 11 -1.028 1.053 -0.898
99 HA LYS 11 HA LYS 11 0.906 -0.851 -1.700
100 HB2 LYS 11 HB2 LYS 11 -0.809 0.172 -3.203
101 HB3 LYS 11 HB1 LYS 11 0.051 1.697 -3.090
102 HG2 LYS 11 HG2 LYS 11 1.997 0.677 -4.151
103 HG3 LYS 11 HG1 LYS 11 1.123 -0.851 -4.272
104 HD2 LYS 11 HD2 LYS 11 -0.582 0.261 -5.658
105 HD3 LYS 11 HD1 LYS 11 0.340 1.761 -5.566
106 HE2 LYS 11 HE2 LYS 11 1.297 -0.838 -6.757
107 HE3 LYS 11 HE1 LYS 11 0.767 0.576 -7.664
108 HZ1 LYS 11 HZ1 LYS 11 3.109 0.457 -5.842
109 HZ2 LYS 11 HZ2 LYS 11 2.618 1.821 -6.700
110 HZ3 LYS 11 HZ3 LYS 11 3.172 0.459 -7.524
111 H ARG 12 HN ARG 12 1.012 2.590 -1.023
112 HA ARG 12 HA ARG 12 3.670 3.164 -1.550
113 HB2 ARG 12 HB2 ARG 12 1.675 4.319 0.338
114 HB3 ARG 12 HB1 ARG 12 3.330 4.914 0.306
115 HG2 ARG 12 HG2 ARG 12 3.135 5.624 -1.926
116 HG3 ARG 12 HG1 ARG 12 1.626 4.744 -2.152
117 HD2 ARG 12 HD2 ARG 12 1.386 7.223 -1.846
118 HD3 ARG 12 HD1 ARG 12 0.438 6.226 -0.755
119 HE ARG 12 HE ARG 12 2.499 6.611 0.760
120 HH11 ARG 12 HH11 ARG 12 1.237 9.071 -1.467
121 HH12 ARG 12 HH12 ARG 12 1.373 10.343 -0.356
122 HH21 ARG 12 HH21 ARG 12 2.655 8.364 2.280
123 HH22 ARG 12 HH22 ARG 12 2.202 9.951 1.841
124 H ILE 13 HN ILE 13 2.298 2.377 1.656
125 HA ILE 13 HA ILE 13 4.844 2.245 2.851
126 HB ILE 13 HB ILE 13 2.819 2.527 4.233
127 HG12 ILE 13 HG12 ILE 13 3.360 0.953 6.078
128 HG13 ILE 13 HG11 ILE 13 4.371 0.036 4.969
129 HG21 ILE 13 HG21 ILE 13 1.358 0.633 4.773
130 HG22 ILE 13 HG22 ILE 13 2.201 -0.329 3.555
131 HG23 ILE 13 HG23 ILE 13 1.290 1.100 3.071
132 HD11 ILE 13 HD11 ILE 13 5.842 1.962 4.702
133 HD12 ILE 13 HD12 ILE 13 5.688 1.509 6.399
134 HD13 ILE 13 HD13 ILE 13 4.808 2.904 5.775
135 H LEU 14 HN LEU 14 3.033 -0.112 1.083
136 HA LEU 14 HA LEU 14 4.593 -2.364 1.790
137 HB2 LEU 14 HB2 LEU 14 2.348 -2.532 0.778
138 HB3 LEU 14 HB1 LEU 14 2.982 -1.862 -0.710
139 HG LEU 14 HG LEU 14 4.477 -3.842 -0.903
140 HD11 LEU 14 HD11 LEU 14 2.854 -4.869 1.417
141 HD12 LEU 14 HD12 LEU 14 4.576 -4.485 1.431
142 HD13 LEU 14 HD13 LEU 14 3.981 -5.819 0.451
143 HD21 LEU 14 HD21 LEU 14 2.725 -5.364 -1.634
144 HD22 LEU 14 HD22 LEU 14 2.354 -3.706 -2.113
145 HD23 LEU 14 HD23 LEU 14 1.529 -4.437 -0.734
146 H ALA 15 HN ALA 15 4.917 0.210 -0.591
147 HA ALA 15 HA ALA 15 6.967 -1.114 -2.098
148 HB1 ALA 15 HB1 ALA 15 5.491 0.539 -3.141
149 HB2 ALA 15 HB2 ALA 15 7.177 1.044 -3.264
150 HB3 ALA 15 HB3 ALA 15 6.118 1.784 -2.064
151 H LYS 16 HN LYS 16 6.826 0.561 0.793
152 HA LYS 16 HA LYS 16 9.502 1.581 0.783
153 HB2 LYS 16 HB2 LYS 16 7.574 2.525 2.154
154 HB3 LYS 16 HB1 LYS 16 7.713 1.105 3.166
155 HG2 LYS 16 HG2 LYS 16 8.863 2.913 4.243
156 HG3 LYS 16 HG1 LYS 16 10.048 1.728 3.697
157 HD2 LYS 16 HD2 LYS 16 10.862 3.962 3.213
158 HD3 LYS 16 HD1 LYS 16 10.489 3.153 1.695
159 HE2 LYS 16 HE2 LYS 16 8.299 4.316 1.665
160 HE3 LYS 16 HE1 LYS 16 8.756 5.154 3.138
161 HZ1 LYS 16 HZ1 LYS 16 10.591 6.178 1.921
162 HZ2 LYS 16 HZ2 LYS 16 9.113 6.516 1.192
163 HZ3 LYS 16 HZ3 LYS 16 10.125 5.366 0.516
164 H ILE 17 HN ILE 17 7.768 -1.151 2.178
165 HA ILE 17 HA ILE 17 10.180 -2.282 3.319
166 HB ILE 17 HB ILE 17 8.658 -4.090 4.158
167 HG12 ILE 17 HG12 ILE 17 6.488 -2.341 2.954
168 HG13 ILE 17 HG11 ILE 17 6.950 -3.932 2.370
169 HG21 ILE 17 HG21 ILE 17 7.536 -2.670 5.821
170 HG22 ILE 17 HG22 ILE 17 7.881 -1.253 4.831
171 HG23 ILE 17 HG23 ILE 17 9.206 -2.173 5.543
172 HD11 ILE 17 HD11 ILE 17 4.889 -3.982 3.666
173 HD12 ILE 17 HD12 ILE 17 5.747 -3.322 5.059
174 HD13 ILE 17 HD13 ILE 17 6.159 -4.923 4.445
175 H PHE 18 HN PHE 18 8.063 -2.879 0.587
176 HA PHE 18 HA PHE 18 9.789 -5.100 -0.182
177 HB2 PHE 18 HB2 PHE 18 7.461 -5.815 0.277
178 HB3 PHE 18 HB1 PHE 18 6.871 -4.613 -0.856
179 HD1 PHE 18 HD1 PHE 18 6.414 -5.262 -3.008
180 HD2 PHE 18 HD2 PHE 18 9.153 -7.555 -0.713
181 HE1 PHE 18 HE1 PHE 18 6.548 -6.912 -4.826
182 HE2 PHE 18 HE2 PHE 18 9.292 -9.213 -2.526
183 HZ PHE 18 HZ PHE 18 7.984 -8.887 -4.587
184 H LYS 19 HN LYS 19 11.215 -4.205 -1.432
185 HA LYS 19 HA LYS 19 10.845 -1.890 -3.002
186 HB2 LYS 19 HB2 LYS 19 12.997 -3.969 -3.396
187 HB3 LYS 19 HB1 LYS 19 13.063 -2.265 -3.794
188 HG2 LYS 19 HG2 LYS 19 13.109 -3.491 -1.042
189 HG3 LYS 19 HG1 LYS 19 14.432 -2.688 -1.880
190 HD2 LYS 19 HD2 LYS 19 13.099 -0.596 -1.841
191 HD3 LYS 19 HD1 LYS 19 11.880 -1.437 -0.885
192 HE2 LYS 19 HE2 LYS 19 13.590 -1.945 0.818
193 HE3 LYS 19 HE1 LYS 19 14.761 -1.020 -0.110
194 HZ1 LYS 19 HZ1 LYS 19 12.303 -0.009 1.173
195 HZ2 LYS 19 HZ2 LYS 19 13.288 0.919 0.168
196 HZ3 LYS 19 HZ3 LYS 19 13.894 0.309 1.640
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 -13.189 10.362 4.370
2 H3 PRO 1 HT2 PRO 1 -14.761 10.842 4.487
3 HA PRO 1 HA PRO 1 -15.007 11.043 2.135
4 HB2 PRO 1 HB2 PRO 1 -13.065 9.297 1.253
5 HB3 PRO 1 HB1 PRO 1 -12.995 11.058 1.046
6 HG2 PRO 1 HG2 PRO 1 -11.719 9.337 3.138
7 HG3 PRO 1 HG1 PRO 1 -11.047 10.738 2.283
8 HD2 PRO 1 HD2 PRO 1 -11.871 11.043 4.768
9 HD3 PRO 1 HD1 PRO 1 -12.208 12.245 3.539
10 H MET 2 HN MET 2 -15.268 8.753 0.912
11 HA MET 2 HA MET 2 -16.263 6.880 2.897
12 HB2 MET 2 HB2 MET 2 -16.364 6.846 -0.122
13 HB3 MET 2 HB1 MET 2 -17.024 5.567 0.882
14 HG2 MET 2 HG2 MET 2 -18.586 7.138 1.870
15 HG3 MET 2 HG1 MET 2 -17.925 8.444 0.890
16 HE1 MET 2 HE1 MET 2 -20.309 9.065 -0.051
17 HE2 MET 2 HE2 MET 2 -21.024 7.808 0.959
18 HE3 MET 2 HE3 MET 2 -21.424 7.894 -0.754
19 H ALA 3 HN ALA 3 -13.799 7.102 0.427
20 HA ALA 3 HA ALA 3 -12.764 4.488 1.047
21 HB1 ALA 3 HB1 ALA 3 -11.053 4.998 -0.625
22 HB2 ALA 3 HB2 ALA 3 -11.623 6.663 -0.714
23 HB3 ALA 3 HB3 ALA 3 -12.657 5.352 -1.270
24 H ARG 4 HN ARG 4 -12.070 4.517 3.114
25 HA ARG 4 HA ARG 4 -10.270 6.684 3.846
26 HB2 ARG 4 HB2 ARG 4 -10.450 6.129 6.146
27 HB3 ARG 4 HB1 ARG 4 -12.066 6.020 5.491
28 HG2 ARG 4 HG2 ARG 4 -10.260 3.674 6.085
29 HG3 ARG 4 HG1 ARG 4 -11.521 4.275 7.151
30 HD2 ARG 4 HD2 ARG 4 -11.886 3.127 4.400
31 HD3 ARG 4 HD1 ARG 4 -12.240 2.305 5.915
32 HE ARG 4 HE ARG 4 -13.634 4.791 5.541
33 HH11 ARG 4 HH11 ARG 4 -13.717 1.289 4.981
34 HH12 ARG 4 HH12 ARG 4 -15.401 1.194 4.835
35 HH21 ARG 4 HH21 ARG 4 -16.005 4.673 5.317
36 HH22 ARG 4 HH22 ARG 4 -16.727 3.161 5.037
37 H ASN 5 HN ASN 5 -10.223 3.324 3.152
38 HA ASN 5 HA ASN 5 -7.332 3.323 3.649
39 HB2 ASN 5 HB2 ASN 5 -8.599 1.637 5.021
40 HB3 ASN 5 HB1 ASN 5 -9.157 0.904 3.524
41 HD21 ASN 5 HD21 ASN 5 -5.882 2.168 4.274
42 HD22 ASN 5 HD22 ASN 5 -5.124 0.641 4.073
43 H LYS 6 HN LYS 6 -6.987 4.257 1.639
44 HA LYS 6 HA LYS 6 -7.987 3.014 -0.723
45 HB2 LYS 6 HB2 LYS 6 -5.883 5.149 -0.361
46 HB3 LYS 6 HB1 LYS 6 -6.668 4.719 -1.875
47 HG2 LYS 6 HG2 LYS 6 -8.826 5.442 -0.958
48 HG3 LYS 6 HG1 LYS 6 -8.027 5.884 0.550
49 HD2 LYS 6 HD2 LYS 6 -6.655 7.503 -0.646
50 HD3 LYS 6 HD1 LYS 6 -7.438 7.031 -2.157
51 HE2 LYS 6 HE2 LYS 6 -9.600 7.789 -1.259
52 HE3 LYS 6 HE1 LYS 6 -8.805 8.263 0.241
53 HZ1 LYS 6 HZ1 LYS 6 -9.105 10.165 -1.135
54 HZ2 LYS 6 HZ2 LYS 6 -8.352 9.431 -2.447
55 HZ3 LYS 6 HZ3 LYS 6 -7.459 9.821 -1.062
56 HA PRO 7 HA PRO 7 -4.676 -0.030 -1.058
57 HB2 PRO 7 HB2 PRO 7 -5.157 0.232 -3.980
58 HB3 PRO 7 HB1 PRO 7 -5.200 -1.216 -2.969
59 HG2 PRO 7 HG2 PRO 7 -7.460 -0.144 -3.880
60 HG3 PRO 7 HG1 PRO 7 -7.365 -0.800 -2.236
61 HD2 PRO 7 HD2 PRO 7 -7.297 2.054 -3.143
62 HD3 PRO 7 HD1 PRO 7 -8.122 1.319 -1.746
63 H LYS 8 HN LYS 8 -4.797 2.959 -2.622
64 HA LYS 8 HA LYS 8 -2.298 3.082 -3.918
65 HB2 LYS 8 HB2 LYS 8 -3.903 5.333 -2.714
66 HB3 LYS 8 HB1 LYS 8 -2.642 5.479 -3.931
67 HG2 LYS 8 HG2 LYS 8 -4.009 4.238 -5.524
68 HG3 LYS 8 HG1 LYS 8 -5.263 4.033 -4.303
69 HD2 LYS 8 HD2 LYS 8 -5.873 5.839 -5.794
70 HD3 LYS 8 HD1 LYS 8 -5.517 6.488 -4.196
71 HE2 LYS 8 HE2 LYS 8 -3.280 7.121 -4.947
72 HE3 LYS 8 HE1 LYS 8 -3.628 6.467 -6.545
73 HZ1 LYS 8 HZ1 LYS 8 -5.078 8.719 -5.260
74 HZ2 LYS 8 HZ2 LYS 8 -5.329 8.143 -6.824
75 HZ3 LYS 8 HZ3 LYS 8 -3.876 8.878 -6.411
76 H ILE 9 HN ILE 9 -3.322 3.985 -0.605
77 HA ILE 9 HA ILE 9 -0.674 4.925 -0.007
78 HB ILE 9 HB ILE 9 -2.581 6.048 1.099
79 HG12 ILE 9 HG12 ILE 9 -1.790 6.010 3.463
80 HG13 ILE 9 HG11 ILE 9 -0.791 4.617 3.069
81 HG21 ILE 9 HG21 ILE 9 -3.075 3.449 2.515
82 HG22 ILE 9 HG22 ILE 9 -4.120 4.212 1.317
83 HG23 ILE 9 HG23 ILE 9 -3.864 4.984 2.883
84 HD11 ILE 9 HD11 ILE 9 0.495 6.683 3.109
85 HD12 ILE 9 HD12 ILE 9 -0.538 7.359 1.849
86 HD13 ILE 9 HD13 ILE 9 0.487 5.964 1.501
87 H LEU 10 HN LEU 10 -2.510 2.034 0.411
88 HA LEU 10 HA LEU 10 -0.772 0.640 2.130
89 HB2 LEU 10 HB2 LEU 10 -2.572 -0.393 -0.060
90 HB3 LEU 10 HB1 LEU 10 -1.727 -1.425 1.074
91 HG LEU 10 HG LEU 10 -3.854 0.595 1.799
92 HD11 LEU 10 HD11 LEU 10 -5.225 -1.365 2.289
93 HD12 LEU 10 HD12 LEU 10 -3.934 -2.419 1.717
94 HD13 LEU 10 HD13 LEU 10 -4.752 -1.340 0.591
95 HD21 LEU 10 HD21 LEU 10 -2.233 0.329 3.592
96 HD22 LEU 10 HD22 LEU 10 -2.355 -1.423 3.468
97 HD23 LEU 10 HD23 LEU 10 -3.738 -0.486 4.021
98 H LYS 11 HN LYS 11 -0.905 0.916 -1.380
99 HA LYS 11 HA LYS 11 1.247 -0.663 -2.110
100 HB2 LYS 11 HB2 LYS 11 -0.286 0.342 -3.712
101 HB3 LYS 11 HB1 LYS 11 0.278 1.946 -3.282
102 HG2 LYS 11 HG2 LYS 11 2.514 1.344 -4.158
103 HG3 LYS 11 HG1 LYS 11 1.848 -0.205 -4.684
104 HD2 LYS 11 HD2 LYS 11 0.234 0.955 -6.087
105 HD3 LYS 11 HD1 LYS 11 0.870 2.511 -5.554
106 HE2 LYS 11 HE2 LYS 11 2.388 0.398 -7.077
107 HE3 LYS 11 HE1 LYS 11 1.721 1.881 -7.758
108 HZ1 LYS 11 HZ1 LYS 11 3.213 3.129 -6.252
109 HZ2 LYS 11 HZ2 LYS 11 4.022 2.167 -7.360
110 HZ3 LYS 11 HZ3 LYS 11 3.922 1.667 -5.765
111 H ARG 12 HN ARG 12 1.163 2.729 -1.127
112 HA ARG 12 HA ARG 12 3.876 3.284 -1.517
113 HB2 ARG 12 HB2 ARG 12 1.947 4.559 0.408
114 HB3 ARG 12 HB1 ARG 12 3.557 5.169 0.071
115 HG2 ARG 12 HG2 ARG 12 2.871 5.367 -2.327
116 HG3 ARG 12 HG1 ARG 12 1.225 5.001 -1.809
117 HD2 ARG 12 HD2 ARG 12 1.603 7.417 -1.967
118 HD3 ARG 12 HD1 ARG 12 1.244 6.923 -0.309
119 HE ARG 12 HE ARG 12 4.039 7.052 -1.006
120 HH11 ARG 12 HH11 ARG 12 1.323 8.821 0.398
121 HH12 ARG 12 HH12 ARG 12 2.297 9.908 1.275
122 HH21 ARG 12 HH21 ARG 12 5.370 8.522 0.168
123 HH22 ARG 12 HH22 ARG 12 4.678 9.759 1.111
124 H ILE 13 HN ILE 13 2.187 2.389 1.500
125 HA ILE 13 HA ILE 13 4.618 2.381 2.922
126 HB ILE 13 HB ILE 13 2.425 2.646 4.076
127 HG12 ILE 13 HG12 ILE 13 4.026 0.291 5.093
128 HG13 ILE 13 HG11 ILE 13 4.446 1.982 5.331
129 HG21 ILE 13 HG21 ILE 13 2.062 -0.299 3.558
130 HG22 ILE 13 HG22 ILE 13 1.124 1.012 2.850
131 HG23 ILE 13 HG23 ILE 13 1.032 0.703 4.585
132 HD11 ILE 13 HD11 ILE 13 1.984 0.610 6.369
133 HD12 ILE 13 HD12 ILE 13 2.408 2.303 6.632
134 HD13 ILE 13 HD13 ILE 13 3.413 1.022 7.310
135 H LEU 14 HN LEU 14 2.953 -0.102 1.133
136 HA LEU 14 HA LEU 14 4.677 -2.203 1.911
137 HB2 LEU 14 HB2 LEU 14 2.909 -1.899 -0.505
138 HB3 LEU 14 HB1 LEU 14 3.846 -3.343 -0.184
139 HG LEU 14 HG LEU 14 1.653 -2.255 1.587
140 HD11 LEU 14 HD11 LEU 14 1.692 -4.638 -0.259
141 HD12 LEU 14 HD12 LEU 14 0.794 -3.142 -0.512
142 HD13 LEU 14 HD13 LEU 14 0.383 -4.199 0.838
143 HD21 LEU 14 HD21 LEU 14 1.873 -4.426 2.738
144 HD22 LEU 14 HD22 LEU 14 3.314 -3.432 2.894
145 HD23 LEU 14 HD23 LEU 14 3.295 -4.782 1.759
146 H ALA 15 HN ALA 15 5.074 0.434 -0.332
147 HA ALA 15 HA ALA 15 7.150 -0.776 -1.848
148 HB1 ALA 15 HB1 ALA 15 7.705 1.496 -2.572
149 HB2 ALA 15 HB2 ALA 15 6.680 2.162 -1.301
150 HB3 ALA 15 HB3 ALA 15 5.961 1.242 -2.623
151 H LYS 16 HN LYS 16 6.993 0.604 1.262
152 HA LYS 16 HA LYS 16 9.888 0.690 1.541
153 HB2 LYS 16 HB2 LYS 16 8.512 2.449 2.622
154 HB3 LYS 16 HB1 LYS 16 7.725 1.211 3.593
155 HG2 LYS 16 HG2 LYS 16 9.901 0.656 4.613
156 HG3 LYS 16 HG1 LYS 16 10.648 1.947 3.677
157 HD2 LYS 16 HD2 LYS 16 10.222 2.733 5.918
158 HD3 LYS 16 HD1 LYS 16 9.147 3.571 4.802
159 HE2 LYS 16 HE2 LYS 16 7.306 2.097 5.440
160 HE3 LYS 16 HE1 LYS 16 8.382 1.181 6.493
161 HZ1 LYS 16 HZ1 LYS 16 7.630 4.039 6.831
162 HZ2 LYS 16 HZ2 LYS 16 8.682 3.193 7.825
163 HZ3 LYS 16 HZ3 LYS 16 7.067 2.743 7.759
164 H ILE 17 HN ILE 17 7.120 -0.975 3.027
165 HA ILE 17 HA ILE 17 8.539 -2.665 4.741
166 HB ILE 17 HB ILE 17 5.806 -3.103 3.501
167 HG12 ILE 17 HG12 ILE 17 6.586 -2.009 6.217
168 HG13 ILE 17 HG11 ILE 17 6.019 -1.046 4.860
169 HG21 ILE 17 HG21 ILE 17 7.054 -4.501 5.872
170 HG22 ILE 17 HG22 ILE 17 6.686 -5.226 4.307
171 HG23 ILE 17 HG23 ILE 17 5.378 -4.669 5.350
172 HD11 ILE 17 HD11 ILE 17 4.263 -1.433 6.510
173 HD12 ILE 17 HD12 ILE 17 4.431 -3.176 6.280
174 HD13 ILE 17 HD13 ILE 17 3.862 -2.162 4.956
175 H PHE 18 HN PHE 18 7.389 -3.340 1.444
176 HA PHE 18 HA PHE 18 8.655 -5.954 1.578
177 HB2 PHE 18 HB2 PHE 18 6.305 -5.615 0.684
178 HB3 PHE 18 HB1 PHE 18 7.012 -4.706 -0.638
179 HD1 PHE 18 HD1 PHE 18 6.400 -7.980 0.776
180 HD2 PHE 18 HD2 PHE 18 8.360 -5.866 -2.349
181 HE1 PHE 18 HE1 PHE 18 6.660 -10.067 -0.474
182 HE2 PHE 18 HE2 PHE 18 8.628 -7.952 -3.594
183 HZ PHE 18 HZ PHE 18 7.773 -10.062 -2.661
184 H LYS 19 HN LYS 19 10.642 -6.256 0.655
185 HA LYS 19 HA LYS 19 11.557 -4.177 -1.124
186 HB2 LYS 19 HB2 LYS 19 13.893 -4.667 -0.281
187 HB3 LYS 19 HB1 LYS 19 12.845 -3.848 0.852
188 HG2 LYS 19 HG2 LYS 19 13.262 -6.827 0.941
189 HG3 LYS 19 HG1 LYS 19 14.375 -5.716 1.723
190 HD2 LYS 19 HD2 LYS 19 11.409 -5.870 2.300
191 HD3 LYS 19 HD1 LYS 19 12.648 -6.697 3.239
192 HE2 LYS 19 HE2 LYS 19 13.656 -4.517 3.793
193 HE3 LYS 19 HE1 LYS 19 12.393 -3.705 2.870
194 HZ1 LYS 19 HZ1 LYS 19 11.901 -3.743 5.264
195 HZ2 LYS 19 HZ2 LYS 19 11.885 -5.422 5.255
196 HZ3 LYS 19 HZ3 LYS 19 10.750 -4.572 4.381
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 -10.083 4.460 7.773
2 H3 PRO 1 HT2 PRO 1 -10.727 5.146 6.432
3 HA PRO 1 HA PRO 1 -12.352 4.175 7.913
4 HB2 PRO 1 HB2 PRO 1 -12.422 2.219 5.714
5 HB3 PRO 1 HB1 PRO 1 -13.633 3.422 6.195
6 HG2 PRO 1 HG2 PRO 1 -12.145 3.816 4.017
7 HG3 PRO 1 HG1 PRO 1 -12.533 5.163 5.104
8 HD2 PRO 1 HD2 PRO 1 -10.061 3.549 4.850
9 HD3 PRO 1 HD1 PRO 1 -10.169 5.293 5.004
10 H MET 2 HN MET 2 -13.374 1.875 8.324
11 HA MET 2 HA MET 2 -11.418 0.617 9.980
12 HB2 MET 2 HB2 MET 2 -13.289 -0.703 10.870
13 HB3 MET 2 HB1 MET 2 -13.608 1.019 10.922
14 HG2 MET 2 HG2 MET 2 -14.708 -0.897 8.857
15 HG3 MET 2 HG1 MET 2 -15.575 -0.349 10.287
16 HE1 MET 2 HE1 MET 2 -14.816 2.751 10.451
17 HE2 MET 2 HE2 MET 2 -16.453 2.127 10.636
18 HE3 MET 2 HE3 MET 2 -16.136 3.455 9.520
19 H ALA 3 HN ALA 3 -13.130 -0.275 7.043
20 HA ALA 3 HA ALA 3 -11.710 -2.848 7.160
21 HB1 ALA 3 HB1 ALA 3 -13.433 -3.766 5.738
22 HB2 ALA 3 HB2 ALA 3 -14.217 -2.192 5.637
23 HB3 ALA 3 HB3 ALA 3 -14.152 -3.044 7.179
24 H ARG 4 HN ARG 4 -12.991 -0.555 4.799
25 HA ARG 4 HA ARG 4 -11.156 -1.424 2.814
26 HB2 ARG 4 HB2 ARG 4 -13.303 0.579 2.948
27 HB3 ARG 4 HB1 ARG 4 -12.041 0.908 1.780
28 HG2 ARG 4 HG2 ARG 4 -13.962 -0.287 0.793
29 HG3 ARG 4 HG1 ARG 4 -12.468 -1.194 0.651
30 HD2 ARG 4 HD2 ARG 4 -14.261 -2.686 1.257
31 HD3 ARG 4 HD1 ARG 4 -13.155 -2.536 2.614
32 HE ARG 4 HE ARG 4 -15.158 -0.647 2.940
33 HH11 ARG 4 HH11 ARG 4 -14.886 -4.193 2.887
34 HH12 ARG 4 HH12 ARG 4 -16.200 -4.428 3.954
35 HH21 ARG 4 HH21 ARG 4 -16.941 -1.002 4.413
36 HH22 ARG 4 HH22 ARG 4 -17.380 -2.602 4.826
37 H ASN 5 HN ASN 5 -9.236 -0.939 2.619
38 HA ASN 5 HA ASN 5 -8.190 1.607 3.657
39 HB2 ASN 5 HB2 ASN 5 -7.225 -0.386 4.819
40 HB3 ASN 5 HB1 ASN 5 -6.690 -1.010 3.263
41 HD21 ASN 5 HD21 ASN 5 -4.530 -1.005 3.875
42 HD22 ASN 5 HD22 ASN 5 -3.619 0.452 4.072
43 H LYS 6 HN LYS 6 -7.326 2.871 2.175
44 HA LYS 6 HA LYS 6 -7.757 2.329 -0.562
45 HB2 LYS 6 HB2 LYS 6 -6.196 4.558 0.744
46 HB3 LYS 6 HB1 LYS 6 -6.717 4.520 -0.936
47 HG2 LYS 6 HG2 LYS 6 -9.042 4.557 -0.258
48 HG3 LYS 6 HG1 LYS 6 -8.585 4.473 1.438
49 HD2 LYS 6 HD2 LYS 6 -9.160 6.749 0.873
50 HD3 LYS 6 HD1 LYS 6 -7.429 6.655 1.182
51 HE2 LYS 6 HE2 LYS 6 -7.004 6.578 -1.227
52 HE3 LYS 6 HE1 LYS 6 -8.739 6.644 -1.530
53 HZ1 LYS 6 HZ1 LYS 6 -8.762 8.835 -0.434
54 HZ2 LYS 6 HZ2 LYS 6 -7.806 8.789 -1.796
55 HZ3 LYS 6 HZ3 LYS 6 -7.078 8.771 -0.279
56 HA PRO 7 HA PRO 7 -3.998 -0.067 -1.353
57 HB2 PRO 7 HB2 PRO 7 -4.870 0.708 -4.098
58 HB3 PRO 7 HB1 PRO 7 -4.331 -0.863 -3.488
59 HG2 PRO 7 HG2 PRO 7 -6.885 -0.430 -3.876
60 HG3 PRO 7 HG1 PRO 7 -6.346 -1.278 -2.414
61 HD2 PRO 7 HD2 PRO 7 -7.306 1.534 -2.724
62 HD3 PRO 7 HD1 PRO 7 -7.554 0.381 -1.401
63 H LYS 8 HN LYS 8 -4.795 3.069 -2.717
64 HA LYS 8 HA LYS 8 -2.402 3.782 -3.883
65 HB2 LYS 8 HB2 LYS 8 -4.441 5.160 -4.024
66 HB3 LYS 8 HB1 LYS 8 -4.253 5.605 -2.334
67 HG2 LYS 8 HG2 LYS 8 -2.142 6.723 -2.857
68 HG3 LYS 8 HG1 LYS 8 -2.310 6.261 -4.549
69 HD2 LYS 8 HD2 LYS 8 -4.398 7.566 -4.669
70 HD3 LYS 8 HD1 LYS 8 -4.181 8.052 -2.993
71 HE2 LYS 8 HE2 LYS 8 -2.290 8.671 -5.271
72 HE3 LYS 8 HE1 LYS 8 -3.430 9.794 -4.545
73 HZ1 LYS 8 HZ1 LYS 8 -1.226 10.132 -3.692
74 HZ2 LYS 8 HZ2 LYS 8 -1.103 8.540 -3.189
75 HZ3 LYS 8 HZ3 LYS 8 -2.215 9.591 -2.448
76 H ILE 9 HN ILE 9 -3.301 4.003 -0.454
77 HA ILE 9 HA ILE 9 -0.637 4.992 0.080
78 HB ILE 9 HB ILE 9 -2.484 6.071 1.337
79 HG12 ILE 9 HG12 ILE 9 -0.633 4.492 3.138
80 HG13 ILE 9 HG11 ILE 9 -0.219 5.990 2.315
81 HG21 ILE 9 HG21 ILE 9 -3.665 4.892 3.130
82 HG22 ILE 9 HG22 ILE 9 -2.914 3.381 2.618
83 HG23 ILE 9 HG23 ILE 9 -4.026 4.219 1.539
84 HD11 ILE 9 HD11 ILE 9 -2.333 5.658 4.433
85 HD12 ILE 9 HD12 ILE 9 -1.915 7.167 3.619
86 HD13 ILE 9 HD13 ILE 9 -0.733 6.366 4.656
87 H LEU 10 HN LEU 10 -2.536 2.076 0.478
88 HA LEU 10 HA LEU 10 -0.835 0.725 2.243
89 HB2 LEU 10 HB2 LEU 10 -3.092 -0.063 1.755
90 HB3 LEU 10 HB1 LEU 10 -2.615 -0.432 0.108
91 HG LEU 10 HG LEU 10 -1.028 -2.116 0.973
92 HD11 LEU 10 HD11 LEU 10 -0.630 -1.248 3.191
93 HD12 LEU 10 HD12 LEU 10 -1.243 -2.899 3.289
94 HD13 LEU 10 HD13 LEU 10 -2.314 -1.539 3.634
95 HD21 LEU 10 HD21 LEU 10 -3.898 -2.496 1.802
96 HD22 LEU 10 HD22 LEU 10 -2.720 -3.788 1.568
97 HD23 LEU 10 HD23 LEU 10 -3.225 -2.795 0.200
98 H LYS 11 HN LYS 11 -0.846 0.751 -1.317
99 HA LYS 11 HA LYS 11 1.300 -1.075 -1.546
100 HB2 LYS 11 HB2 LYS 11 0.192 0.939 -3.501
101 HB3 LYS 11 HB1 LYS 11 1.519 -0.141 -3.898
102 HG2 LYS 11 HG2 LYS 11 -1.225 -1.036 -3.036
103 HG3 LYS 11 HG1 LYS 11 -0.662 -0.956 -4.707
104 HD2 LYS 11 HD2 LYS 11 1.106 -2.577 -4.190
105 HD3 LYS 11 HD1 LYS 11 0.560 -2.652 -2.517
106 HE2 LYS 11 HE2 LYS 11 -1.594 -3.513 -3.251
107 HE3 LYS 11 HE1 LYS 11 -1.065 -3.418 -4.929
108 HZ1 LYS 11 HZ1 LYS 11 0.629 -5.048 -4.472
109 HZ2 LYS 11 HZ2 LYS 11 -0.862 -5.671 -3.990
110 HZ3 LYS 11 HZ3 LYS 11 0.218 -5.103 -2.845
111 H ARG 12 HN ARG 12 1.181 2.339 -1.061
112 HA ARG 12 HA ARG 12 3.923 2.766 -1.659
113 HB2 ARG 12 HB2 ARG 12 1.683 4.350 -0.901
114 HB3 ARG 12 HB1 ARG 12 2.991 4.698 0.218
115 HG2 ARG 12 HG2 ARG 12 2.956 6.219 -1.724
116 HG3 ARG 12 HG1 ARG 12 4.450 5.295 -1.594
117 HD2 ARG 12 HD2 ARG 12 3.593 5.466 -3.903
118 HD3 ARG 12 HD1 ARG 12 3.740 3.799 -3.368
119 HE ARG 12 HE ARG 12 1.131 4.888 -2.944
120 HH11 ARG 12 HH11 ARG 12 3.199 3.362 -5.386
121 HH12 ARG 12 HH12 ARG 12 1.917 2.804 -6.338
122 HH21 ARG 12 HH21 ARG 12 -0.605 4.115 -4.233
123 HH22 ARG 12 HH22 ARG 12 -0.327 3.246 -5.684
124 H ILE 13 HN ILE 13 2.117 2.235 1.338
125 HA ILE 13 HA ILE 13 4.274 2.227 3.126
126 HB ILE 13 HB ILE 13 1.734 0.547 3.226
127 HG12 ILE 13 HG12 ILE 13 2.348 3.207 4.543
128 HG13 ILE 13 HG11 ILE 13 1.350 2.997 3.111
129 HG21 ILE 13 HG21 ILE 13 3.661 1.232 5.456
130 HG22 ILE 13 HG22 ILE 13 3.427 -0.360 4.733
131 HG23 ILE 13 HG23 ILE 13 2.123 0.391 5.650
132 HD11 ILE 13 HD11 ILE 13 0.760 1.899 5.852
133 HD12 ILE 13 HD12 ILE 13 -0.254 1.705 4.423
134 HD13 ILE 13 HD13 ILE 13 0.003 3.309 5.112
135 H LEU 14 HN LEU 14 2.983 -0.263 1.048
136 HA LEU 14 HA LEU 14 4.791 -2.280 1.944
137 HB2 LEU 14 HB2 LEU 14 3.048 -2.171 -0.512
138 HB3 LEU 14 HB1 LEU 14 3.951 -3.579 0.009
139 HG LEU 14 HG LEU 14 1.722 -2.269 1.572
140 HD11 LEU 14 HD11 LEU 14 1.758 -4.840 0.013
141 HD12 LEU 14 HD12 LEU 14 0.903 -3.363 -0.434
142 HD13 LEU 14 HD13 LEU 14 0.429 -4.252 1.013
143 HD21 LEU 14 HD21 LEU 14 1.857 -4.273 2.992
144 HD22 LEU 14 HD22 LEU 14 3.340 -3.329 3.047
145 HD23 LEU 14 HD23 LEU 14 3.272 -4.811 2.088
146 H ALA 15 HN ALA 15 5.017 0.300 -0.380
147 HA ALA 15 HA ALA 15 7.164 -0.879 -1.869
148 HB1 ALA 15 HB1 ALA 15 7.393 1.329 -2.903
149 HB2 ALA 15 HB2 ALA 15 6.301 2.016 -1.701
150 HB3 ALA 15 HB3 ALA 15 5.699 0.837 -2.866
151 H LYS 16 HN LYS 16 6.859 0.663 1.102
152 HA LYS 16 HA LYS 16 9.500 1.669 1.369
153 HB2 LYS 16 HB2 LYS 16 7.577 0.748 3.516
154 HB3 LYS 16 HB1 LYS 16 9.034 1.689 3.789
155 HG2 LYS 16 HG2 LYS 16 6.646 2.606 2.192
156 HG3 LYS 16 HG1 LYS 16 6.982 3.048 3.863
157 HD2 LYS 16 HD2 LYS 16 9.072 4.113 3.159
158 HD3 LYS 16 HD1 LYS 16 8.747 3.649 1.490
159 HE2 LYS 16 HE2 LYS 16 8.161 5.970 1.880
160 HE3 LYS 16 HE1 LYS 16 6.730 5.021 1.490
161 HZ1 LYS 16 HZ1 LYS 16 6.160 4.975 3.828
162 HZ2 LYS 16 HZ2 LYS 16 6.329 6.555 3.332
163 HZ3 LYS 16 HZ3 LYS 16 7.554 5.830 4.237
164 H ILE 17 HN ILE 17 7.950 -1.398 2.071
165 HA ILE 17 HA ILE 17 10.473 -2.473 3.012
166 HB ILE 17 HB ILE 17 8.496 -3.139 4.298
167 HG12 ILE 17 HG12 ILE 17 8.751 -5.620 4.276
168 HG13 ILE 17 HG11 ILE 17 9.681 -5.478 2.790
169 HG21 ILE 17 HG21 ILE 17 6.785 -3.035 2.617
170 HG22 ILE 17 HG22 ILE 17 6.765 -4.618 3.398
171 HG23 ILE 17 HG23 ILE 17 7.468 -4.434 1.791
172 HD11 ILE 17 HD11 ILE 17 10.439 -4.309 5.462
173 HD12 ILE 17 HD12 ILE 17 11.383 -4.191 3.976
174 HD13 ILE 17 HD13 ILE 17 11.120 -5.761 4.731
175 H PHE 18 HN PHE 18 8.334 -2.800 0.223
176 HA PHE 18 HA PHE 18 10.458 -4.346 -1.048
177 HB2 PHE 18 HB2 PHE 18 8.346 -5.635 -0.796
178 HB3 PHE 18 HB1 PHE 18 7.503 -4.392 -1.710
179 HD1 PHE 18 HD1 PHE 18 10.149 -6.966 -1.922
180 HD2 PHE 18 HD2 PHE 18 7.502 -4.422 -4.076
181 HE1 PHE 18 HE1 PHE 18 10.706 -8.149 -3.999
182 HE2 PHE 18 HE2 PHE 18 8.051 -5.603 -6.158
183 HZ PHE 18 HZ PHE 18 9.656 -7.471 -6.124
184 H LYS 19 HN LYS 19 11.565 -2.946 -2.066
185 HA LYS 19 HA LYS 19 10.236 -0.847 -3.550
186 HB2 LYS 19 HB2 LYS 19 12.467 0.391 -3.409
187 HB3 LYS 19 HB1 LYS 19 11.566 0.250 -1.915
188 HG2 LYS 19 HG2 LYS 19 13.828 -1.621 -2.588
189 HG3 LYS 19 HG1 LYS 19 14.101 -0.065 -1.806
190 HD2 LYS 19 HD2 LYS 19 12.714 -0.728 0.071
191 HD3 LYS 19 HD1 LYS 19 12.290 -2.239 -0.716
192 HE2 LYS 19 HE2 LYS 19 13.979 -2.626 0.954
193 HE3 LYS 19 HE1 LYS 19 14.649 -2.910 -0.648
194 HZ1 LYS 19 HZ1 LYS 19 15.024 -0.417 0.917
195 HZ2 LYS 19 HZ2 LYS 19 15.759 -0.786 -0.560
196 HZ3 LYS 19 HZ3 LYS 19 16.128 -1.679 0.816
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 -11.470 -0.204 15.218
2 H3 PRO 1 HT2 PRO 1 -12.727 0.409 16.033
3 HA PRO 1 HA PRO 1 -13.433 -0.588 13.992
4 HB2 PRO 1 HB2 PRO 1 -13.826 1.804 12.687
5 HB3 PRO 1 HB1 PRO 1 -14.858 1.198 13.995
6 HG2 PRO 1 HG2 PRO 1 -12.599 3.151 14.120
7 HG3 PRO 1 HG1 PRO 1 -14.155 3.178 14.971
8 HD2 PRO 1 HD2 PRO 1 -11.976 2.457 16.280
9 HD3 PRO 1 HD1 PRO 1 -13.500 1.627 16.523
10 H MET 2 HN MET 2 -13.297 -0.250 11.528
11 HA MET 2 HA MET 2 -10.658 -0.771 10.733
12 HB2 MET 2 HB2 MET 2 -13.095 -0.086 9.084
13 HB3 MET 2 HB1 MET 2 -11.590 -0.702 8.425
14 HG2 MET 2 HG2 MET 2 -13.372 -2.146 10.379
15 HG3 MET 2 HG1 MET 2 -13.276 -2.467 8.651
16 HE1 MET 2 HE1 MET 2 -11.170 -3.580 7.457
17 HE2 MET 2 HE2 MET 2 -9.633 -3.849 8.284
18 HE3 MET 2 HE3 MET 2 -10.225 -2.211 8.033
19 H ALA 3 HN ALA 3 -9.106 0.609 10.465
20 HA ALA 3 HA ALA 3 -9.609 3.422 10.491
21 HB1 ALA 3 HB1 ALA 3 -7.002 1.933 10.198
22 HB2 ALA 3 HB2 ALA 3 -7.734 2.450 11.717
23 HB3 ALA 3 HB3 ALA 3 -7.190 3.650 10.552
24 H ARG 4 HN ARG 4 -9.364 1.091 8.122
25 HA ARG 4 HA ARG 4 -9.274 1.022 5.940
26 HB2 ARG 4 HB2 ARG 4 -10.452 3.709 6.295
27 HB3 ARG 4 HB1 ARG 4 -10.246 2.996 4.702
28 HG2 ARG 4 HG2 ARG 4 -11.805 1.746 6.956
29 HG3 ARG 4 HG1 ARG 4 -12.520 2.627 5.611
30 HD2 ARG 4 HD2 ARG 4 -10.952 0.034 5.488
31 HD3 ARG 4 HD1 ARG 4 -12.652 0.268 5.125
32 HE ARG 4 HE ARG 4 -11.613 1.888 3.334
33 HH11 ARG 4 HH11 ARG 4 -10.524 -1.388 4.169
34 HH12 ARG 4 HH12 ARG 4 -9.898 -1.696 2.622
35 HH21 ARG 4 HH21 ARG 4 -10.716 1.437 1.237
36 HH22 ARG 4 HH22 ARG 4 -10.013 -0.093 0.927
37 H ASN 5 HN ASN 5 -7.392 0.694 5.431
38 HA ASN 5 HA ASN 5 -5.601 2.924 4.859
39 HB2 ASN 5 HB2 ASN 5 -4.654 0.887 5.972
40 HB3 ASN 5 HB1 ASN 5 -5.087 -0.055 4.547
41 HD21 ASN 5 HD21 ASN 5 -2.918 -0.592 4.227
42 HD22 ASN 5 HD22 ASN 5 -1.778 0.536 3.590
43 H LYS 6 HN LYS 6 -5.533 3.737 2.926
44 HA LYS 6 HA LYS 6 -7.276 2.685 0.916
45 HB2 LYS 6 HB2 LYS 6 -5.531 5.136 1.048
46 HB3 LYS 6 HB1 LYS 6 -6.272 4.652 -0.465
47 HG2 LYS 6 HG2 LYS 6 -7.620 6.354 0.591
48 HG3 LYS 6 HG1 LYS 6 -8.495 4.832 0.569
49 HD2 LYS 6 HD2 LYS 6 -8.863 5.916 2.691
50 HD3 LYS 6 HD1 LYS 6 -7.853 4.498 2.953
51 HE2 LYS 6 HE2 LYS 6 -5.868 5.920 3.034
52 HE3 LYS 6 HE1 LYS 6 -6.869 7.341 2.740
53 HZ1 LYS 6 HZ1 LYS 6 -7.133 5.545 5.090
54 HZ2 LYS 6 HZ2 LYS 6 -7.978 6.972 4.842
55 HZ3 LYS 6 HZ3 LYS 6 -6.307 7.007 5.088
56 HA PRO 7 HA PRO 7 -4.604 -0.058 -1.259
57 HB2 PRO 7 HB2 PRO 7 -5.633 1.332 -3.687
58 HB3 PRO 7 HB1 PRO 7 -5.518 -0.402 -3.360
59 HG2 PRO 7 HG2 PRO 7 -7.857 0.821 -3.174
60 HG3 PRO 7 HG1 PRO 7 -7.388 -0.391 -1.969
61 HD2 PRO 7 HD2 PRO 7 -7.474 2.582 -1.729
62 HD3 PRO 7 HD1 PRO 7 -7.815 1.328 -0.518
63 H LYS 8 HN LYS 8 -4.624 3.315 -2.411
64 HA LYS 8 HA LYS 8 -2.110 3.231 -3.695
65 HB2 LYS 8 HB2 LYS 8 -3.649 5.117 -4.042
66 HB3 LYS 8 HB1 LYS 8 -3.442 5.603 -2.361
67 HG2 LYS 8 HG2 LYS 8 -1.030 5.932 -2.806
68 HG3 LYS 8 HG1 LYS 8 -1.322 5.583 -4.501
69 HD2 LYS 8 HD2 LYS 8 -2.894 7.503 -4.561
70 HD3 LYS 8 HD1 LYS 8 -2.452 7.861 -2.891
71 HE2 LYS 8 HE2 LYS 8 -0.086 8.049 -3.591
72 HE3 LYS 8 HE1 LYS 8 -0.590 7.796 -5.254
73 HZ1 LYS 8 HZ1 LYS 8 -1.889 9.821 -5.143
74 HZ2 LYS 8 HZ2 LYS 8 -0.287 10.128 -4.760
75 HZ3 LYS 8 HZ3 LYS 8 -1.433 10.065 -3.538
76 H ILE 9 HN ILE 9 -3.049 4.083 -0.422
77 HA ILE 9 HA ILE 9 -0.437 4.836 0.426
78 HB ILE 9 HB ILE 9 -2.814 4.037 2.140
79 HG12 ILE 9 HG12 ILE 9 -3.422 5.878 0.651
80 HG13 ILE 9 HG11 ILE 9 -3.284 6.456 2.305
81 HG21 ILE 9 HG21 ILE 9 -0.704 4.035 3.379
82 HG22 ILE 9 HG22 ILE 9 -1.736 5.364 3.899
83 HG23 ILE 9 HG23 ILE 9 -0.370 5.678 2.830
84 HD11 ILE 9 HD11 ILE 9 -2.340 8.037 0.711
85 HD12 ILE 9 HD12 ILE 9 -1.223 6.808 0.129
86 HD13 ILE 9 HD13 ILE 9 -1.091 7.408 1.784
87 H LEU 10 HN LEU 10 -2.353 1.922 0.524
88 HA LEU 10 HA LEU 10 -0.627 0.318 2.029
89 HB2 LEU 10 HB2 LEU 10 -2.881 -0.408 1.446
90 HB3 LEU 10 HB1 LEU 10 -2.444 -0.464 -0.251
91 HG LEU 10 HG LEU 10 -0.837 -2.278 0.242
92 HD11 LEU 10 HD11 LEU 10 -2.011 -2.166 3.010
93 HD12 LEU 10 HD12 LEU 10 -0.342 -1.803 2.560
94 HD13 LEU 10 HD13 LEU 10 -0.964 -3.444 2.398
95 HD21 LEU 10 HD21 LEU 10 -3.069 -2.805 -0.533
96 HD22 LEU 10 HD22 LEU 10 -3.663 -2.789 1.127
97 HD23 LEU 10 HD23 LEU 10 -2.512 -4.024 0.614
98 H LYS 11 HN LYS 11 -0.827 0.826 -1.480
99 HA LYS 11 HA LYS 11 1.351 -0.736 -2.206
100 HB2 LYS 11 HB2 LYS 11 -0.198 0.131 -3.866
101 HB3 LYS 11 HB1 LYS 11 0.279 1.781 -3.498
102 HG2 LYS 11 HG2 LYS 11 2.512 1.346 -4.353
103 HG3 LYS 11 HG1 LYS 11 2.074 -0.329 -4.676
104 HD2 LYS 11 HD2 LYS 11 0.416 0.403 -6.304
105 HD3 LYS 11 HD1 LYS 11 0.790 2.091 -5.944
106 HE2 LYS 11 HE2 LYS 11 3.028 1.831 -6.739
107 HE3 LYS 11 HE1 LYS 11 2.812 0.098 -6.958
108 HZ1 LYS 11 HZ1 LYS 11 1.409 2.236 -8.484
109 HZ2 LYS 11 HZ2 LYS 11 1.170 0.580 -8.662
110 HZ3 LYS 11 HZ3 LYS 11 2.656 1.241 -9.047
111 H ARG 12 HN ARG 12 1.220 2.567 -1.044
112 HA ARG 12 HA ARG 12 3.927 3.192 -1.555
113 HB2 ARG 12 HB2 ARG 12 2.267 4.344 0.702
114 HB3 ARG 12 HB1 ARG 12 3.731 5.031 0.031
115 HG2 ARG 12 HG2 ARG 12 0.989 4.905 -1.185
116 HG3 ARG 12 HG1 ARG 12 1.968 6.320 -0.808
117 HD2 ARG 12 HD2 ARG 12 2.440 4.292 -2.992
118 HD3 ARG 12 HD1 ARG 12 1.924 5.961 -3.195
119 HE ARG 12 HE ARG 12 4.299 6.128 -1.885
120 HH11 ARG 12 HH11 ARG 12 3.201 4.746 -4.962
121 HH12 ARG 12 HH12 ARG 12 4.736 4.818 -5.698
122 HH21 ARG 12 HH21 ARG 12 6.383 6.272 -2.911
123 HH22 ARG 12 HH22 ARG 12 6.612 5.740 -4.505
124 H ILE 13 HN ILE 13 2.386 2.246 1.532
125 HA ILE 13 HA ILE 13 4.844 1.965 2.875
126 HB ILE 13 HB ILE 13 2.832 2.250 4.208
127 HG12 ILE 13 HG12 ILE 13 3.054 0.433 5.884
128 HG13 ILE 13 HG11 ILE 13 4.029 -0.478 4.739
129 HG21 ILE 13 HG21 ILE 13 1.216 1.156 2.821
130 HG22 ILE 13 HG22 ILE 13 1.125 0.526 4.466
131 HG23 ILE 13 HG23 ILE 13 1.909 -0.420 3.199
132 HD11 ILE 13 HD11 ILE 13 4.732 2.192 5.939
133 HD12 ILE 13 HD12 ILE 13 5.718 1.284 4.791
134 HD13 ILE 13 HD13 ILE 13 5.406 0.629 6.397
135 H LEU 14 HN LEU 14 2.979 -0.305 0.992
136 HA LEU 14 HA LEU 14 4.413 -2.630 1.485
137 HB2 LEU 14 HB2 LEU 14 2.336 -2.573 0.209
138 HB3 LEU 14 HB1 LEU 14 3.116 -1.644 -1.050
139 HG LEU 14 HG LEU 14 4.576 -3.599 -1.526
140 HD11 LEU 14 HD11 LEU 14 3.945 -5.781 -0.648
141 HD12 LEU 14 HD12 LEU 14 2.754 -5.020 0.405
142 HD13 LEU 14 HD13 LEU 14 4.473 -4.697 0.637
143 HD21 LEU 14 HD21 LEU 14 2.581 -3.159 -2.844
144 HD22 LEU 14 HD22 LEU 14 1.605 -4.078 -1.697
145 HD23 LEU 14 HD23 LEU 14 2.838 -4.893 -2.659
146 H ALA 15 HN ALA 15 5.049 0.092 -0.750
147 HA ALA 15 HA ALA 15 7.277 -1.255 -1.968
148 HB1 ALA 15 HB1 ALA 15 5.895 0.330 -3.237
149 HB2 ALA 15 HB2 ALA 15 7.584 0.839 -3.199
150 HB3 ALA 15 HB3 ALA 15 6.400 1.629 -2.158
151 H LYS 16 HN LYS 16 6.760 0.716 0.770
152 HA LYS 16 HA LYS 16 9.408 1.719 1.031
153 HB2 LYS 16 HB2 LYS 16 7.311 2.650 1.992
154 HB3 LYS 16 HB1 LYS 16 7.291 1.309 3.120
155 HG2 LYS 16 HG2 LYS 16 9.497 2.072 3.979
156 HG3 LYS 16 HG1 LYS 16 9.366 3.482 2.925
157 HD2 LYS 16 HD2 LYS 16 7.428 2.716 5.106
158 HD3 LYS 16 HD1 LYS 16 8.611 4.018 5.178
159 HE2 LYS 16 HE2 LYS 16 6.398 3.874 3.128
160 HE3 LYS 16 HE1 LYS 16 6.244 4.727 4.631
161 HZ1 LYS 16 HZ1 LYS 16 8.140 6.118 3.969
162 HZ2 LYS 16 HZ2 LYS 16 6.868 6.233 2.891
163 HZ3 LYS 16 HZ3 LYS 16 8.228 5.327 2.482
164 H ILE 17 HN ILE 17 7.551 -0.975 2.379
165 HA ILE 17 HA ILE 17 9.776 -1.981 3.908
166 HB ILE 17 HB ILE 17 7.136 -3.302 3.197
167 HG12 ILE 17 HG12 ILE 17 7.945 -1.884 5.748
168 HG13 ILE 17 HG11 ILE 17 6.905 -1.194 4.505
169 HG21 ILE 17 HG21 ILE 17 7.599 -4.808 5.091
170 HG22 ILE 17 HG22 ILE 17 9.174 -4.042 5.298
171 HG23 ILE 17 HG23 ILE 17 8.824 -4.947 3.827
172 HD11 ILE 17 HD11 ILE 17 5.264 -2.949 4.925
173 HD12 ILE 17 HD12 ILE 17 5.618 -2.028 6.388
174 HD13 ILE 17 HD13 ILE 17 6.312 -3.636 6.165
175 H PHE 18 HN PHE 18 8.075 -2.899 0.958
176 HA PHE 18 HA PHE 18 10.140 -4.875 0.352
177 HB2 PHE 18 HB2 PHE 18 7.977 -5.852 0.909
178 HB3 PHE 18 HB1 PHE 18 7.171 -4.787 -0.220
179 HD1 PHE 18 HD1 PHE 18 9.985 -7.263 -0.339
180 HD2 PHE 18 HD2 PHE 18 6.366 -5.831 -2.056
181 HE1 PHE 18 HE1 PHE 18 10.059 -9.067 -2.011
182 HE2 PHE 18 HE2 PHE 18 6.446 -7.626 -3.728
183 HZ PHE 18 HZ PHE 18 8.294 -9.245 -3.709
184 H LYS 19 HN LYS 19 11.474 -3.806 -1.031
185 HA LYS 19 HA LYS 19 10.225 -2.290 -3.145
186 HB2 LYS 19 HB2 LYS 19 12.355 -1.051 -3.383
187 HB3 LYS 19 HB1 LYS 19 11.625 -0.824 -1.814
188 HG2 LYS 19 HG2 LYS 19 13.935 -2.703 -2.341
189 HG3 LYS 19 HG1 LYS 19 14.125 -1.028 -1.865
190 HD2 LYS 19 HD2 LYS 19 12.776 -3.187 -0.208
191 HD3 LYS 19 HD1 LYS 19 14.392 -2.549 0.036
192 HE2 LYS 19 HE2 LYS 19 13.443 -0.315 0.447
193 HE3 LYS 19 HE1 LYS 19 11.824 -0.979 0.241
194 HZ1 LYS 19 HZ1 LYS 19 12.327 -2.487 2.147
195 HZ2 LYS 19 HZ2 LYS 19 12.251 -0.855 2.511
196 HZ3 LYS 19 HZ3 LYS 19 13.756 -1.598 2.406