Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644891 | 6obw RC | 30593 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 3.411 1.941 6.927
2 H2 GLU 1 HT2 GLU 1 1.981 1.512 6.117
3 H3 GLU 1 HT3 GLU 1 3.379 0.567 5.928
4 HA GLU 1 HA GLU 1 1.448 0.648 8.077
5 HB2 GLU 1 HB2 GLU 1 1.784 -1.263 6.396
6 HB3 GLU 1 HB1 GLU 1 3.393 -1.542 7.151
7 HG2 GLU 1 HG2 GLU 1 2.300 -2.030 9.356
8 HG3 GLU 1 HG1 GLU 1 0.675 -1.722 8.624
9 H MET 2 HN MET 2 5.012 0.648 7.617
10 HA MET 2 HA MET 2 5.201 0.890 10.534
11 HB2 MET 2 HB2 MET 2 7.178 -0.559 8.672
12 HB3 MET 2 HB1 MET 2 7.443 -0.248 10.424
13 HG2 MET 2 HG2 MET 2 5.462 -1.643 10.988
14 HG3 MET 2 HG1 MET 2 5.162 -1.941 9.247
15 HE1 MET 2 HE1 MET 2 6.209 -5.429 10.450
16 HE2 MET 2 HE2 MET 2 5.064 -4.436 9.482
17 HE3 MET 2 HE3 MET 2 5.207 -4.172 11.255
18 H ARG 3 HN ARG 3 6.745 2.442 11.259
19 HA ARG 3 HA ARG 3 7.341 4.386 9.205
20 HB2 ARG 3 HB2 ARG 3 6.577 5.179 11.490
21 HB3 ARG 3 HB1 ARG 3 8.064 4.445 12.192
22 HG2 ARG 3 HG2 ARG 3 9.510 5.989 11.006
23 HG3 ARG 3 HG1 ARG 3 8.160 6.582 9.978
24 HD2 ARG 3 HD2 ARG 3 8.671 8.254 11.755
25 HD3 ARG 3 HD1 ARG 3 7.044 7.514 12.098
26 HE ARG 3 HE ARG 3 9.128 6.000 13.434
27 HH11 ARG 3 HH11 ARG 3 7.362 9.092 13.482
28 HH12 ARG 3 HH12 ARG 3 7.504 9.326 15.192
29 HH21 ARG 3 HH21 ARG 3 9.323 6.316 15.761
30 HH22 ARG 3 HH22 ARG 3 8.640 7.719 16.509
31 H LEU 4 HN LEU 4 8.834 1.584 10.469
32 HA LEU 4 HA LEU 4 11.457 2.448 10.662
33 HB2 LEU 4 HB2 LEU 4 10.775 0.130 11.336
34 HB3 LEU 4 HB1 LEU 4 10.472 -0.267 9.606
35 HG LEU 4 HG LEU 4 12.845 0.136 9.055
36 HD11 LEU 4 HD11 LEU 4 13.133 0.799 12.052
37 HD12 LEU 4 HD12 LEU 4 13.451 1.881 10.641
38 HD13 LEU 4 HD13 LEU 4 14.524 0.460 10.952
39 HD21 LEU 4 HD21 LEU 4 12.574 -2.142 9.486
40 HD22 LEU 4 HD22 LEU 4 12.102 -1.885 11.209
41 HD23 LEU 4 HD23 LEU 4 13.831 -1.730 10.714
42 H SER 5 HN SER 5 9.455 1.582 7.779
43 HA SER 5 HA SER 5 11.715 1.883 6.044
44 HB2 SER 5 HB2 SER 5 8.688 1.945 5.429
45 HB3 SER 5 HB1 SER 5 9.996 1.930 4.179
46 HG SER 5 HG SER 5 8.860 -0.105 5.349
47 H LYS 6 HN LYS 6 12.339 3.946 7.248
48 HA LYS 6 HA LYS 6 11.073 6.198 5.885
49 HB2 LYS 6 HB2 LYS 6 10.136 6.472 8.096
50 HB3 LYS 6 HB1 LYS 6 11.630 5.812 8.858
51 HG2 LYS 6 HG2 LYS 6 11.248 8.329 9.163
52 HG3 LYS 6 HG1 LYS 6 12.854 7.856 8.519
53 HD2 LYS 6 HD2 LYS 6 11.745 8.285 6.149
54 HD3 LYS 6 HD1 LYS 6 10.507 9.190 7.078
55 HE2 LYS 6 HE2 LYS 6 11.913 10.996 6.926
56 HE3 LYS 6 HE1 LYS 6 12.968 10.154 8.129
57 H PHE 7 HN PHE 7 13.649 5.157 8.115
58 HA PHE 7 HA PHE 7 15.449 7.111 7.598
59 HB2 PHE 7 HB2 PHE 7 15.928 4.141 8.049
60 HB3 PHE 7 HB1 PHE 7 17.122 5.450 8.387
61 HD1 PHE 7 HD1 PHE 7 14.403 3.501 9.528
62 HD2 PHE 7 HD2 PHE 7 16.493 7.147 10.128
63 HE1 PHE 7 HE1 PHE 7 13.439 3.683 11.759
64 HE2 PHE 7 HE2 PHE 7 15.520 7.323 12.366
65 HZ PHE 7 HZ PHE 7 14.002 5.580 13.138
66 H PHE 8 HN PHE 8 14.910 4.011 5.731
67 HA PHE 8 HA PHE 8 16.921 5.011 3.914
68 HB2 PHE 8 HB2 PHE 8 16.469 2.726 2.700
69 HB3 PHE 8 HB1 PHE 8 17.434 2.732 4.223
70 HD1 PHE 8 HD1 PHE 8 14.230 1.869 2.676
71 HD2 PHE 8 HD2 PHE 8 16.533 1.893 6.242
72 HE1 PHE 8 HE1 PHE 8 12.662 0.307 3.707
73 HE2 PHE 8 HE2 PHE 8 14.968 0.337 7.265
74 HZ PHE 8 HZ PHE 8 13.029 -0.469 6.004
75 H ARG 9 HN ARG 9 13.498 4.934 4.341
76 HA ARG 9 HA ARG 9 12.793 4.812 1.614
77 HB2 ARG 9 HB2 ARG 9 11.131 4.516 3.491
78 HB3 ARG 9 HB1 ARG 9 11.356 6.252 3.898
79 HG2 ARG 9 HG2 ARG 9 10.647 5.596 1.033
80 HG3 ARG 9 HG1 ARG 9 9.369 5.350 2.288
81 HD2 ARG 9 HD2 ARG 9 9.813 7.753 3.083
82 HD3 ARG 9 HD1 ARG 9 10.891 7.945 1.633
83 HE ARG 9 HE ARG 9 8.366 6.907 0.743
84 HH11 ARG 9 HH11 ARG 9 9.824 9.802 2.217
85 HH12 ARG 9 HH12 ARG 9 8.699 10.916 1.516
86 HH21 ARG 9 HH21 ARG 9 6.832 8.423 -0.213
87 HH22 ARG 9 HH22 ARG 9 6.968 10.118 0.112
88 H ASN 10 HN ASN 10 13.724 7.420 3.892
89 HA ASN 10 HA ASN 10 13.136 9.519 2.158
90 HB2 ASN 10 HB2 ASN 10 15.281 9.264 4.349
91 HB3 ASN 10 HB1 ASN 10 14.922 10.806 3.485
92 HD21 ASN 10 HD21 ASN 10 14.463 9.503 6.400
93 H PHE 11 HN PHE 11 16.001 7.334 2.464
94 HA PHE 11 HA PHE 11 17.517 8.794 0.575
95 HB2 PHE 11 HB2 PHE 11 17.646 5.928 1.663
96 HB3 PHE 11 HB1 PHE 11 18.634 6.389 0.219
97 HD1 PHE 11 HD1 PHE 11 18.586 6.208 3.730
98 HD2 PHE 11 HD2 PHE 11 20.002 8.597 0.514
99 HE1 PHE 11 HE1 PHE 11 20.316 7.146 5.186
100 HE2 PHE 11 HE2 PHE 11 21.726 9.533 1.971
101 HZ PHE 11 HZ PHE 11 21.891 8.810 4.310
102 H ILE 12 HN ILE 12 15.462 5.778 0.359
103 HA ILE 12 HA ILE 12 14.095 6.485 -1.855
104 HB ILE 12 HB ILE 12 16.099 6.555 -3.242
105 HG12 ILE 12 HG12 ILE 12 15.672 4.600 -4.799
106 HG13 ILE 12 HG11 ILE 12 14.518 3.952 -3.587
107 HG21 ILE 12 HG21 ILE 12 17.543 5.238 -1.622
108 HG22 ILE 12 HG22 ILE 12 17.711 4.680 -3.326
109 HG23 ILE 12 HG23 ILE 12 16.721 3.726 -2.160
110 HD11 ILE 12 HD11 ILE 12 13.927 5.791 -5.672
111 HD12 ILE 12 HD12 ILE 12 13.962 6.808 -4.183
112 HD13 ILE 12 HD13 ILE 12 12.865 5.378 -4.274
113 H LEU 13 HN LEU 13 12.488 4.965 -2.131
114 HA LEU 13 HA LEU 13 13.003 2.393 -0.828
115 HB2 LEU 13 HB2 LEU 13 11.382 3.772 0.520
116 HB3 LEU 13 HB1 LEU 13 10.371 3.983 -0.950
117 HG LEU 13 HG LEU 13 10.039 1.504 -1.062
118 HD11 LEU 13 HD11 LEU 13 10.615 0.509 1.477
119 HD12 LEU 13 HD12 LEU 13 12.046 1.559 1.157
120 HD13 LEU 13 HD13 LEU 13 11.618 0.241 0.002
121 HD21 LEU 13 HD21 LEU 13 9.225 2.837 1.597
122 HD22 LEU 13 HD22 LEU 13 8.485 1.341 0.910
123 HD23 LEU 13 HD23 LEU 13 8.332 2.909 0.031
124 H GLN 14 HN GLN 14 12.916 0.735 -2.284
125 HA GLN 14 HA GLN 14 10.989 0.961 -4.429
126 HB2 GLN 14 HB2 GLN 14 14.002 0.532 -4.879
127 HB3 GLN 14 HB1 GLN 14 12.751 0.061 -6.084
128 HG2 GLN 14 HG2 GLN 14 12.024 2.391 -6.356
129 HG3 GLN 14 HG1 GLN 14 13.103 2.931 -5.011
130 HE21 GLN 14 HE21 GLN 14 13.140 3.748 -7.895
131 HE22 GLN 14 HE22 GLN 14 14.720 3.357 -8.483
132 H ARG 15 HN ARG 15 10.039 -0.569 -2.891
133 HA ARG 15 HA ARG 15 11.431 -2.884 -2.191
134 HB2 ARG 15 HB2 ARG 15 8.416 -2.348 -2.386
135 HB3 ARG 15 HB1 ARG 15 9.107 -3.878 -1.743
136 HG2 ARG 15 HG2 ARG 15 9.709 -1.087 -0.590
137 HG3 ARG 15 HG1 ARG 15 8.433 -2.190 0.031
138 HD2 ARG 15 HD2 ARG 15 10.235 -3.949 0.479
139 HD3 ARG 15 HD1 ARG 15 11.485 -2.720 -0.010
140 HE ARG 15 HE ARG 15 9.768 -1.534 1.968
141 HH11 ARG 15 HH11 ARG 15 12.179 -4.121 1.553
142 HH12 ARG 15 HH12 ARG 15 12.767 -4.048 3.180
143 HH21 ARG 15 HH21 ARG 15 10.568 -1.431 4.186
144 HH22 ARG 15 HH22 ARG 15 11.834 -2.495 4.701
145 H LYS 16 HN LYS 16 9.391 -1.993 -4.998
146 HA LYS 16 HA LYS 16 9.465 -4.720 -5.947
147 HB2 LYS 16 HB2 LYS 16 8.463 -2.172 -7.344
148 HB3 LYS 16 HB1 LYS 16 8.226 -3.855 -7.932
149 HG2 LYS 16 HG2 LYS 16 7.111 -2.715 -5.294
150 HG3 LYS 16 HG1 LYS 16 6.185 -2.913 -6.821
151 HD2 LYS 16 HD2 LYS 16 6.614 -5.393 -6.736
152 HD3 LYS 16 HD1 LYS 16 7.494 -5.176 -5.184
153 HE2 LYS 16 HE2 LYS 16 5.400 -4.272 -4.120
154 HE3 LYS 16 HE1 LYS 16 4.514 -4.505 -5.685
155 HZ1 LYS 16 HZ1 LYS 16 4.878 -6.332 -3.670
156 HZ2 LYS 16 HZ2 LYS 16 5.907 -6.860 -4.913
157 HZ3 LYS 16 HZ3 LYS 16 4.255 -6.615 -5.223
158 H LYS 17 HN LYS 17 11.726 -2.273 -5.764
159 HA LYS 17 HA LYS 17 13.571 -1.791 -6.896
160 HB2 LYS 17 HB2 LYS 17 13.121 -4.555 -8.172
161 HB3 LYS 17 HB1 LYS 17 14.614 -3.574 -8.384
162 HG2 LYS 17 HG2 LYS 17 15.015 -3.636 -5.918
163 HG3 LYS 17 HG1 LYS 17 13.523 -4.613 -5.696
164 HD2 LYS 17 HD2 LYS 17 14.496 -6.423 -7.128
165 HD3 LYS 17 HD1 LYS 17 15.988 -5.444 -7.352
166 HE2 LYS 17 HE2 LYS 17 16.432 -5.538 -4.882
167 HE3 LYS 17 HE1 LYS 17 14.921 -6.514 -4.650
168 HZ1 LYS 17 HZ1 LYS 17 17.489 -7.360 -5.401
169 HZ2 LYS 17 HZ2 LYS 17 16.418 -7.710 -6.671
170 HZ3 LYS 17 HZ3 LYS 17 16.094 -8.282 -5.105
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 1.773 0.262 5.599
2 H2 GLU 1 HT2 GLU 1 3.231 -0.519 5.216
3 H3 GLU 1 HT3 GLU 1 3.230 0.799 6.289
4 HA GLU 1 HA GLU 1 1.508 -0.799 7.501
5 HB2 GLU 1 HB2 GLU 1 1.892 -2.626 5.839
6 HB3 GLU 1 HB1 GLU 1 3.655 -2.560 6.178
7 HG2 GLU 1 HG2 GLU 1 2.664 -4.491 7.364
8 HG3 GLU 1 HG1 GLU 1 3.189 -3.264 8.584
9 H MET 2 HN MET 2 5.026 -0.342 6.832
10 HA MET 2 HA MET 2 5.342 -0.067 9.735
11 HB2 MET 2 HB2 MET 2 7.308 -1.326 7.731
12 HB3 MET 2 HB1 MET 2 7.743 -0.872 9.416
13 HG2 MET 2 HG2 MET 2 5.875 -2.421 10.223
14 HG3 MET 2 HG1 MET 2 5.689 -2.976 8.529
15 HE1 MET 2 HE1 MET 2 8.596 -4.994 7.561
16 HE2 MET 2 HE2 MET 2 8.721 -3.216 7.327
17 HE3 MET 2 HE3 MET 2 7.130 -4.035 7.160
18 H ARG 3 HN ARG 3 6.520 1.763 10.377
19 HA ARG 3 HA ARG 3 6.965 3.640 8.207
20 HB2 ARG 3 HB2 ARG 3 5.898 4.348 10.471
21 HB3 ARG 3 HB1 ARG 3 7.536 4.112 11.184
22 HG2 ARG 3 HG2 ARG 3 8.495 5.836 9.707
23 HG3 ARG 3 HG1 ARG 3 6.945 5.994 8.813
24 HD2 ARG 3 HD2 ARG 3 7.299 6.634 11.826
25 HD3 ARG 3 HD1 ARG 3 7.286 7.863 10.485
26 HE ARG 3 HE ARG 3 4.922 6.287 10.210
27 HH11 ARG 3 HH11 ARG 3 6.476 8.509 12.517
28 HH12 ARG 3 HH12 ARG 3 4.993 9.120 13.168
29 HH21 ARG 3 HH21 ARG 3 2.901 7.119 11.091
30 HH22 ARG 3 HH22 ARG 3 2.924 8.316 12.342
31 H LEU 4 HN LEU 4 8.709 1.177 9.777
32 HA LEU 4 HA LEU 4 11.171 2.343 10.186
33 HB2 LEU 4 HB2 LEU 4 10.184 -0.297 10.228
34 HB3 LEU 4 HB1 LEU 4 11.368 -0.326 8.875
35 HG LEU 4 HG LEU 4 12.448 -0.978 10.972
36 HD11 LEU 4 HD11 LEU 4 14.397 0.462 10.883
37 HD12 LEU 4 HD12 LEU 4 13.431 1.852 10.257
38 HD13 LEU 4 HD13 LEU 4 13.707 0.405 9.216
39 HD21 LEU 4 HD21 LEU 4 12.051 1.804 12.174
40 HD22 LEU 4 HD22 LEU 4 12.453 0.243 12.985
41 HD23 LEU 4 HD23 LEU 4 10.779 0.542 12.380
42 H SER 5 HN SER 5 9.508 1.460 7.139
43 HA SER 5 HA SER 5 11.919 1.898 5.623
44 HB2 SER 5 HB2 SER 5 8.967 1.636 4.760
45 HB3 SER 5 HB1 SER 5 10.348 1.835 3.607
46 HG SER 5 HG SER 5 9.583 -0.355 4.117
47 H LYS 6 HN LYS 6 12.207 4.004 6.904
48 HA LYS 6 HA LYS 6 10.929 6.131 5.370
49 HB2 LYS 6 HB2 LYS 6 9.639 6.306 7.403
50 HB3 LYS 6 HB1 LYS 6 11.046 5.775 8.395
51 HG2 LYS 6 HG2 LYS 6 10.398 8.236 8.637
52 HG3 LYS 6 HG1 LYS 6 12.120 7.924 8.242
53 HD2 LYS 6 HD2 LYS 6 11.346 8.286 5.734
54 HD3 LYS 6 HD1 LYS 6 9.900 9.053 6.466
55 HE2 LYS 6 HE2 LYS 6 11.131 10.987 6.529
56 HE3 LYS 6 HE1 LYS 6 12.059 10.233 7.885
57 H PHE 7 HN PHE 7 13.239 5.318 7.959
58 HA PHE 7 HA PHE 7 14.897 7.442 7.705
59 HB2 PHE 7 HB2 PHE 7 15.583 4.524 8.216
60 HB3 PHE 7 HB1 PHE 7 16.598 5.931 8.713
61 HD1 PHE 7 HD1 PHE 7 13.903 3.754 9.451
62 HD2 PHE 7 HD2 PHE 7 15.621 7.525 10.371
63 HE1 PHE 7 HE1 PHE 7 12.631 3.822 11.527
64 HE2 PHE 7 HE2 PHE 7 14.340 7.589 12.454
65 HZ PHE 7 HZ PHE 7 12.861 5.729 12.991
66 H PHE 8 HN PHE 8 14.933 4.329 5.778
67 HA PHE 8 HA PHE 8 17.080 5.539 4.272
68 HB2 PHE 8 HB2 PHE 8 17.043 3.258 2.995
69 HB3 PHE 8 HB1 PHE 8 17.733 3.301 4.660
70 HD1 PHE 8 HD1 PHE 8 14.901 2.242 2.586
71 HD2 PHE 8 HD2 PHE 8 16.610 2.300 6.471
72 HE1 PHE 8 HE1 PHE 8 13.335 0.513 3.307
73 HE2 PHE 8 HE2 PHE 8 15.048 0.580 7.186
74 HZ PHE 8 HZ PHE 8 13.407 -0.327 5.610
75 H ARG 9 HN ARG 9 13.653 5.156 4.198
76 HA ARG 9 HA ARG 9 13.373 5.028 1.395
77 HB2 ARG 9 HB2 ARG 9 11.484 4.552 3.011
78 HB3 ARG 9 HB1 ARG 9 11.482 6.299 3.435
79 HG2 ARG 9 HG2 ARG 9 11.288 5.602 0.499
80 HG3 ARG 9 HG1 ARG 9 9.860 5.224 1.542
81 HD2 ARG 9 HD2 ARG 9 9.937 7.649 2.382
82 HD3 ARG 9 HD1 ARG 9 11.214 7.959 1.126
83 HE ARG 9 HE ARG 9 8.965 6.696 -0.149
84 HH11 ARG 9 HH11 ARG 9 9.927 9.708 1.489
85 HH12 ARG 9 HH12 ARG 9 8.840 10.722 0.600
86 HH21 ARG 9 HH21 ARG 9 7.485 8.073 -1.362
87 HH22 ARG 9 HH22 ARG 9 7.427 9.775 -1.049
88 H ASN 10 HN ASN 10 13.716 7.658 3.808
89 HA ASN 10 HA ASN 10 13.212 9.734 2.020
90 HB2 ASN 10 HB2 ASN 10 15.009 9.623 4.514
91 HB3 ASN 10 HB1 ASN 10 14.655 11.145 3.613
92 HD21 ASN 10 HD21 ASN 10 13.860 9.732 6.410
93 H PHE 11 HN PHE 11 16.184 7.802 2.744
94 HA PHE 11 HA PHE 11 17.836 9.427 1.132
95 HB2 PHE 11 HB2 PHE 11 18.031 6.545 2.161
96 HB3 PHE 11 HB1 PHE 11 19.174 7.120 0.883
97 HD1 PHE 11 HD1 PHE 11 18.700 6.771 4.330
98 HD2 PHE 11 HD2 PHE 11 20.265 9.462 1.437
99 HE1 PHE 11 HE1 PHE 11 20.130 7.781 6.041
100 HE2 PHE 11 HE2 PHE 11 21.691 10.469 3.149
101 HZ PHE 11 HZ PHE 11 21.630 9.632 5.455
102 H ILE 12 HN ILE 12 16.101 6.267 0.529
103 HA ILE 12 HA ILE 12 15.011 6.944 -1.838
104 HB ILE 12 HB ILE 12 17.255 7.226 -2.823
105 HG12 ILE 12 HG12 ILE 12 16.064 4.561 -3.737
106 HG13 ILE 12 HG11 ILE 12 15.324 6.161 -4.104
107 HG21 ILE 12 HG21 ILE 12 18.995 5.640 -2.616
108 HG22 ILE 12 HG22 ILE 12 17.863 4.281 -2.264
109 HG23 ILE 12 HG23 ILE 12 18.212 5.515 -0.996
110 HD11 ILE 12 HD11 ILE 12 17.968 6.597 -4.843
111 HD12 ILE 12 HD12 ILE 12 16.647 6.105 -5.970
112 HD13 ILE 12 HD13 ILE 12 17.749 4.858 -5.272
113 H LEU 13 HN LEU 13 13.625 5.299 -2.438
114 HA LEU 13 HA LEU 13 14.223 2.685 -1.266
115 HB2 LEU 13 HB2 LEU 13 12.373 3.953 0.018
116 HB3 LEU 13 HB1 LEU 13 11.418 3.914 -1.502
117 HG LEU 13 HG LEU 13 12.532 1.274 -0.626
118 HD11 LEU 13 HD11 LEU 13 10.330 2.671 1.021
119 HD12 LEU 13 HD12 LEU 13 11.969 2.186 1.600
120 HD13 LEU 13 HD13 LEU 13 10.769 0.923 1.128
121 HD21 LEU 13 HD21 LEU 13 10.527 2.218 -2.405
122 HD22 LEU 13 HD22 LEU 13 9.612 1.451 -1.053
123 HD23 LEU 13 HD23 LEU 13 10.858 0.505 -1.949
124 H GLN 14 HN GLN 14 14.349 1.161 -2.859
125 HA GLN 14 HA GLN 14 12.664 1.613 -5.205
126 HB2 GLN 14 HB2 GLN 14 15.635 0.809 -5.195
127 HB3 GLN 14 HB1 GLN 14 14.551 0.600 -6.619
128 HG2 GLN 14 HG2 GLN 14 14.190 3.024 -6.795
129 HG3 GLN 14 HG1 GLN 14 15.087 3.312 -5.253
130 HE21 GLN 14 HE21 GLN 14 15.687 4.264 -8.060
131 HE22 GLN 14 HE22 GLN 14 17.289 3.712 -8.407
132 H ARG 15 HN ARG 15 12.444 0.106 -2.681
133 HA ARG 15 HA ARG 15 13.182 -2.540 -3.145
134 HB2 ARG 15 HB2 ARG 15 10.906 -1.419 -1.421
135 HB3 ARG 15 HB1 ARG 15 11.410 -3.144 -1.421
136 HG2 ARG 15 HG2 ARG 15 13.277 -0.801 -0.712
137 HG3 ARG 15 HG1 ARG 15 12.351 -1.761 0.492
138 HD2 ARG 15 HD2 ARG 15 13.542 -3.864 -0.325
139 HD3 ARG 15 HD1 ARG 15 14.546 -2.816 -1.422
140 HE ARG 15 HE ARG 15 14.675 -1.738 1.241
141 HH11 ARG 15 HH11 ARG 15 15.629 -4.588 -0.669
142 HH12 ARG 15 HH12 ARG 15 17.048 -4.931 0.264
143 HH21 ARG 15 HH21 ARG 15 16.603 -2.203 2.511
144 HH22 ARG 15 HH22 ARG 15 17.610 -3.551 2.104
145 H LYS 16 HN LYS 16 10.276 -0.603 -3.903
146 HA LYS 16 HA LYS 16 8.623 -0.930 -5.314
147 HB2 LYS 16 HB2 LYS 16 10.132 -3.378 -6.397
148 HB3 LYS 16 HB1 LYS 16 8.707 -2.596 -7.163
149 HG2 LYS 16 HG2 LYS 16 11.444 -1.263 -6.692
150 HG3 LYS 16 HG1 LYS 16 10.871 -1.957 -8.246
151 HD2 LYS 16 HD2 LYS 16 8.958 -0.320 -8.250
152 HD3 LYS 16 HD1 LYS 16 9.577 0.389 -6.718
153 HE2 LYS 16 HE2 LYS 16 11.719 1.027 -7.876
154 HE3 LYS 16 HE1 LYS 16 11.082 0.322 -9.421
155 HZ1 LYS 16 HZ1 LYS 16 10.545 2.834 -8.189
156 HZ2 LYS 16 HZ2 LYS 16 9.109 1.990 -8.523
157 HZ3 LYS 16 HZ3 LYS 16 10.224 2.295 -9.767
158 H LYS 17 HN LYS 17 9.416 -4.451 -4.992
159 HA LYS 17 HA LYS 17 7.445 -4.746 -2.963
160 HB2 LYS 17 HB2 LYS 17 5.875 -6.207 -4.213
161 HB3 LYS 17 HB1 LYS 17 5.891 -4.559 -4.931
162 HG2 LYS 17 HG2 LYS 17 7.478 -5.349 -6.706
163 HG3 LYS 17 HG1 LYS 17 7.441 -7.001 -5.999
164 HD2 LYS 17 HD2 LYS 17 4.977 -7.125 -6.418
165 HD3 LYS 17 HD1 LYS 17 5.012 -5.471 -7.122
166 HE2 LYS 17 HE2 LYS 17 6.553 -6.271 -8.939
167 HE3 LYS 17 HE1 LYS 17 6.528 -7.937 -8.223
168 HZ1 LYS 17 HZ1 LYS 17 4.761 -8.277 -9.446
169 HZ2 LYS 17 HZ2 LYS 17 4.642 -6.646 -9.908
170 HZ3 LYS 17 HZ3 LYS 17 3.896 -7.182 -8.479
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 3.629 2.278 7.953
2 H2 GLU 1 HT2 GLU 1 2.095 3.004 7.943
3 H3 GLU 1 HT3 GLU 1 2.243 1.333 7.680
4 HA GLU 1 HA GLU 1 2.346 2.864 10.140
5 HB2 GLU 1 HB2 GLU 1 0.398 1.396 9.471
6 HB3 GLU 1 HB1 GLU 1 1.509 -0.018 9.470
7 HG2 GLU 1 HG2 GLU 1 1.933 0.277 11.923
8 HG3 GLU 1 HG1 GLU 1 0.861 1.734 11.941
9 H MET 2 HN MET 2 3.975 0.049 8.562
10 HA MET 2 HA MET 2 5.366 -0.722 10.878
11 HB2 MET 2 HB2 MET 2 6.036 -1.087 7.903
12 HB3 MET 2 HB1 MET 2 7.008 -1.813 9.232
13 HG2 MET 2 HG2 MET 2 4.871 -2.950 10.054
14 HG3 MET 2 HG1 MET 2 4.060 -2.369 8.566
15 HE1 MET 2 HE1 MET 2 4.457 -2.821 6.399
16 HE2 MET 2 HE2 MET 2 5.342 -4.199 5.659
17 HE3 MET 2 HE3 MET 2 6.235 -2.720 6.154
18 H ARG 3 HN ARG 3 6.034 1.606 8.212
19 HA ARG 3 HA ARG 3 7.421 3.344 8.145
20 HB2 ARG 3 HB2 ARG 3 6.915 3.513 10.725
21 HB3 ARG 3 HB1 ARG 3 8.522 2.729 10.912
22 HG2 ARG 3 HG2 ARG 3 9.607 4.576 9.642
23 HG3 ARG 3 HG1 ARG 3 8.010 5.355 9.378
24 HD2 ARG 3 HD2 ARG 3 7.759 5.624 11.903
25 HD3 ARG 3 HD1 ARG 3 9.436 4.939 12.100
26 HE ARG 3 HE ARG 3 9.561 7.080 10.194
27 HH11 ARG 3 HH11 ARG 3 8.864 6.458 13.630
28 HH12 ARG 3 HH12 ARG 3 9.424 8.000 14.184
29 HH21 ARG 3 HH21 ARG 3 10.325 9.180 10.945
30 HH22 ARG 3 HH22 ARG 3 10.269 9.575 12.630
31 H LEU 4 HN LEU 4 8.230 0.173 8.241
32 HA LEU 4 HA LEU 4 11.010 0.323 8.565
33 HB2 LEU 4 HB2 LEU 4 9.291 -1.796 8.222
34 HB3 LEU 4 HB1 LEU 4 9.937 -1.653 6.549
35 HG LEU 4 HG LEU 4 11.235 -3.262 7.919
36 HD11 LEU 4 HD11 LEU 4 13.403 -2.585 7.198
37 HD12 LEU 4 HD12 LEU 4 13.052 -0.832 7.454
38 HD13 LEU 4 HD13 LEU 4 12.287 -1.716 6.078
39 HD21 LEU 4 HD21 LEU 4 11.847 -2.876 10.068
40 HD22 LEU 4 HD22 LEU 4 10.947 -1.312 9.996
41 HD23 LEU 4 HD23 LEU 4 12.709 -1.358 9.612
42 H SER 5 HN SER 5 8.787 0.914 5.804
43 HA SER 5 HA SER 5 11.022 1.247 4.025
44 HB2 SER 5 HB2 SER 5 9.201 2.263 2.464
45 HB3 SER 5 HB1 SER 5 8.959 0.529 2.916
46 HG SER 5 HG SER 5 7.767 2.826 4.095
47 H LYS 6 HN LYS 6 12.003 2.715 5.800
48 HA LYS 6 HA LYS 6 11.214 5.444 5.130
49 HB2 LYS 6 HB2 LYS 6 10.261 5.186 7.372
50 HB3 LYS 6 HB1 LYS 6 11.715 4.261 7.906
51 HG2 LYS 6 HG2 LYS 6 11.539 6.705 8.740
52 HG3 LYS 6 HG1 LYS 6 13.096 6.224 7.986
53 HD2 LYS 6 HD2 LYS 6 12.016 7.189 5.761
54 HD3 LYS 6 HD1 LYS 6 10.877 8.014 6.871
55 HE2 LYS 6 HE2 LYS 6 12.424 9.642 7.283
56 HE3 LYS 6 HE1 LYS 6 13.614 8.405 7.855
57 H PHE 7 HN PHE 7 13.523 3.329 6.856
58 HA PHE 7 HA PHE 7 15.650 4.976 6.940
59 HB2 PHE 7 HB2 PHE 7 15.546 2.018 6.262
60 HB3 PHE 7 HB1 PHE 7 16.997 2.871 6.913
61 HD1 PHE 7 HD1 PHE 7 13.960 1.185 7.575
62 HD2 PHE 7 HD2 PHE 7 16.783 3.916 9.183
63 HE1 PHE 7 HE1 PHE 7 13.111 0.739 9.815
64 HE2 PHE 7 HE2 PHE 7 15.930 3.458 11.430
65 HZ PHE 7 HZ PHE 7 14.100 1.876 11.701
66 H PHE 8 HN PHE 8 14.615 2.918 4.081
67 HA PHE 8 HA PHE 8 16.795 4.187 2.667
68 HB2 PHE 8 HB2 PHE 8 16.004 2.681 0.697
69 HB3 PHE 8 HB1 PHE 8 16.844 1.886 2.082
70 HD1 PHE 8 HD1 PHE 8 13.632 2.405 0.390
71 HD2 PHE 8 HD2 PHE 8 15.679 0.495 3.582
72 HE1 PHE 8 HE1 PHE 8 11.727 0.917 0.729
73 HE2 PHE 8 HE2 PHE 8 13.779 -0.987 3.915
74 HZ PHE 8 HZ PHE 8 11.797 -0.790 2.490
75 H ARG 9 HN ARG 9 13.434 4.590 3.263
76 HA ARG 9 HA ARG 9 12.764 5.656 0.726
77 HB2 ARG 9 HB2 ARG 9 11.145 4.855 2.634
78 HB3 ARG 9 HB1 ARG 9 11.463 6.469 3.359
79 HG2 ARG 9 HG2 ARG 9 10.723 6.430 0.434
80 HG3 ARG 9 HG1 ARG 9 9.431 5.964 1.608
81 HD2 ARG 9 HD2 ARG 9 9.970 8.131 2.901
82 HD3 ARG 9 HD1 ARG 9 11.026 8.597 1.498
83 HE ARG 9 HE ARG 9 8.437 7.821 0.495
84 HH11 ARG 9 HH11 ARG 9 10.074 10.341 2.405
85 HH12 ARG 9 HH12 ARG 9 8.980 11.608 1.961
86 HH21 ARG 9 HH21 ARG 9 6.946 9.544 -0.111
87 HH22 ARG 9 HH22 ARG 9 7.170 11.145 0.506
88 H ASN 10 HN ASN 10 14.397 6.761 3.654
89 HA ASN 10 HA ASN 10 14.126 9.504 3.291
90 HB2 ASN 10 HB2 ASN 10 16.525 7.870 4.341
91 HB3 ASN 10 HB1 ASN 10 16.430 9.663 4.431
92 HD21 ASN 10 HD21 ASN 10 13.274 9.057 4.904
93 H PHE 11 HN PHE 11 16.191 7.001 1.769
94 HA PHE 11 HA PHE 11 17.659 8.946 0.265
95 HB2 PHE 11 HB2 PHE 11 17.432 5.875 0.180
96 HB3 PHE 11 HB1 PHE 11 18.269 6.788 -1.141
97 HD1 PHE 11 HD1 PHE 11 18.640 5.235 2.014
98 HD2 PHE 11 HD2 PHE 11 20.082 8.453 -0.358
99 HE1 PHE 11 HE1 PHE 11 20.698 5.293 3.341
100 HE2 PHE 11 HE2 PHE 11 22.131 8.511 0.969
101 HZ PHE 11 HZ PHE 11 22.450 6.932 2.821
102 H ILE 12 HN ILE 12 15.486 6.189 -0.793
103 HA ILE 12 HA ILE 12 13.861 7.998 -2.265
104 HB ILE 12 HB ILE 12 14.142 6.713 -4.438
105 HG12 ILE 12 HG12 ILE 12 16.851 5.908 -3.225
106 HG13 ILE 12 HG11 ILE 12 15.430 4.806 -3.296
107 HG21 ILE 12 HG21 ILE 12 15.102 9.076 -3.817
108 HG22 ILE 12 HG22 ILE 12 15.782 8.231 -5.259
109 HG23 ILE 12 HG23 ILE 12 16.699 8.244 -3.706
110 HD11 ILE 12 HD11 ILE 12 16.730 4.290 -5.254
111 HD12 ILE 12 HD12 ILE 12 16.995 6.033 -5.641
112 HD13 ILE 12 HD13 ILE 12 15.358 5.301 -5.849
113 H LEU 13 HN LEU 13 12.008 6.780 -3.229
114 HA LEU 13 HA LEU 13 11.595 4.344 -1.681
115 HB2 LEU 13 HB2 LEU 13 9.917 6.211 -1.298
116 HB3 LEU 13 HB1 LEU 13 9.552 6.188 -3.055
117 HG LEU 13 HG LEU 13 8.798 3.813 -2.868
118 HD11 LEU 13 HD11 LEU 13 9.620 2.639 -1.086
119 HD12 LEU 13 HD12 LEU 13 8.236 3.353 -0.177
120 HD13 LEU 13 HD13 LEU 13 9.866 4.120 -0.086
121 HD21 LEU 13 HD21 LEU 13 7.278 5.922 -2.549
122 HD22 LEU 13 HD22 LEU 13 7.256 5.472 -0.801
123 HD23 LEU 13 HD23 LEU 13 6.627 4.317 -2.038
124 H GLN 14 HN GLN 14 11.875 2.497 -2.851
125 HA GLN 14 HA GLN 14 11.021 2.617 -5.657
126 HB2 GLN 14 HB2 GLN 14 13.431 1.136 -4.464
127 HB3 GLN 14 HB1 GLN 14 12.759 0.783 -6.096
128 HG2 GLN 14 HG2 GLN 14 13.306 3.054 -6.885
129 HG3 GLN 14 HG1 GLN 14 13.830 3.546 -5.224
130 HE21 GLN 14 HE21 GLN 14 15.382 3.336 -7.844
131 HE22 GLN 14 HE22 GLN 14 16.728 2.307 -7.489
132 H ARG 15 HN ARG 15 10.888 1.236 -2.504
133 HA ARG 15 HA ARG 15 9.758 -0.437 -1.647
134 HB2 ARG 15 HB2 ARG 15 8.371 -0.703 -4.381
135 HB3 ARG 15 HB1 ARG 15 7.860 -1.534 -2.874
136 HG2 ARG 15 HG2 ARG 15 7.995 1.526 -3.167
137 HG3 ARG 15 HG1 ARG 15 6.521 0.551 -3.494
138 HD2 ARG 15 HD2 ARG 15 6.653 -0.344 -1.091
139 HD3 ARG 15 HD1 ARG 15 8.011 0.830 -0.794
140 HE ARG 15 HE ARG 15 5.807 2.269 -1.948
141 HH11 ARG 15 HH11 ARG 15 6.722 0.460 0.981
142 HH12 ARG 15 HH12 ARG 15 5.721 1.381 2.052
143 HH21 ARG 15 HH21 ARG 15 4.438 3.519 -0.494
144 HH22 ARG 15 HH22 ARG 15 4.396 3.148 1.197
145 H LYS 16 HN LYS 16 12.272 -0.713 -3.462
146 HA LYS 16 HA LYS 16 12.144 -3.247 -4.620
147 HB2 LYS 16 HB2 LYS 16 13.987 -1.604 -5.094
148 HB3 LYS 16 HB1 LYS 16 14.556 -1.785 -3.400
149 HG2 LYS 16 HG2 LYS 16 15.975 -3.130 -4.842
150 HG3 LYS 16 HG1 LYS 16 14.983 -4.231 -3.832
151 HD2 LYS 16 HD2 LYS 16 13.435 -4.634 -5.726
152 HD3 LYS 16 HD1 LYS 16 14.324 -3.444 -6.739
153 HE2 LYS 16 HE2 LYS 16 16.378 -4.890 -6.643
154 HE3 LYS 16 HE1 LYS 16 15.481 -6.087 -5.618
155 HZ1 LYS 16 HZ1 LYS 16 13.938 -6.409 -7.402
156 HZ2 LYS 16 HZ2 LYS 16 15.521 -6.656 -7.964
157 HZ3 LYS 16 HZ3 LYS 16 14.695 -5.226 -8.355
158 H LYS 17 HN LYS 17 13.053 -2.095 -1.329
159 HA LYS 17 HA LYS 17 13.321 -4.895 -0.541
160 HB2 LYS 17 HB2 LYS 17 13.936 -2.283 0.966
161 HB3 LYS 17 HB1 LYS 17 14.107 -3.927 1.679
162 HG2 LYS 17 HG2 LYS 17 15.797 -4.516 -0.068
163 HG3 LYS 17 HG1 LYS 17 15.630 -2.875 -0.784
164 HD2 LYS 17 HD2 LYS 17 16.415 -1.858 1.366
165 HD3 LYS 17 HD1 LYS 17 16.579 -3.498 2.083
166 HE2 LYS 17 HE2 LYS 17 18.312 -4.087 0.362
167 HE3 LYS 17 HE1 LYS 17 18.140 -2.437 -0.371
168 HZ1 LYS 17 HZ1 LYS 17 18.536 -2.155 2.382
169 HZ2 LYS 17 HZ2 LYS 17 19.559 -1.711 1.102
170 HZ3 LYS 17 HZ3 LYS 17 19.696 -3.251 1.805
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 3.817 1.364 5.701
2 H2 GLU 1 HT2 GLU 1 2.450 1.009 4.758
3 H3 GLU 1 HT3 GLU 1 3.923 0.223 4.447
4 HA GLU 1 HA GLU 1 1.894 -0.331 6.397
5 HB2 GLU 1 HB2 GLU 1 4.176 -1.892 5.066
6 HB3 GLU 1 HB1 GLU 1 3.062 -2.638 6.268
7 HG2 GLU 1 HG2 GLU 1 1.106 -2.217 4.802
8 HG3 GLU 1 HG1 GLU 1 2.144 -1.325 3.620
9 H MET 2 HN MET 2 5.481 0.088 6.342
10 HA MET 2 HA MET 2 5.341 -0.018 9.270
11 HB2 MET 2 HB2 MET 2 7.615 -1.083 7.488
12 HB3 MET 2 HB1 MET 2 7.687 -0.948 9.282
13 HG2 MET 2 HG2 MET 2 5.795 -2.549 9.495
14 HG3 MET 2 HG1 MET 2 5.687 -2.676 7.710
15 HE1 MET 2 HE1 MET 2 5.770 -5.096 9.533
16 HE2 MET 2 HE2 MET 2 6.934 -6.179 8.694
17 HE3 MET 2 HE3 MET 2 5.776 -5.192 7.737
18 H ARG 3 HN ARG 3 6.639 1.571 10.331
19 HA ARG 3 HA ARG 3 7.269 3.770 8.572
20 HB2 ARG 3 HB2 ARG 3 6.239 4.242 10.842
21 HB3 ARG 3 HB1 ARG 3 7.718 3.551 11.606
22 HG2 ARG 3 HG2 ARG 3 9.127 5.315 10.682
23 HG3 ARG 3 HG1 ARG 3 7.791 5.932 9.652
24 HD2 ARG 3 HD2 ARG 3 8.084 7.401 11.652
25 HD3 ARG 3 HD1 ARG 3 6.496 6.529 11.781
26 HE ARG 3 HE ARG 3 7.368 5.282 13.616
27 HH11 ARG 3 HH11 ARG 3 9.935 7.105 11.934
28 HH12 ARG 3 HH12 ARG 3 11.137 6.828 13.150
29 HH21 ARG 3 HH21 ARG 3 9.004 4.911 15.262
30 HH22 ARG 3 HH22 ARG 3 10.598 5.560 15.072
31 H LEU 4 HN LEU 4 8.885 0.971 9.744
32 HA LEU 4 HA LEU 4 11.400 2.034 10.219
33 HB2 LEU 4 HB2 LEU 4 10.882 -0.382 10.668
34 HB3 LEU 4 HB1 LEU 4 10.747 -0.664 8.895
35 HG LEU 4 HG LEU 4 13.108 -0.004 8.573
36 HD11 LEU 4 HD11 LEU 4 13.430 1.638 10.341
37 HD12 LEU 4 HD12 LEU 4 14.601 0.289 10.625
38 HD13 LEU 4 HD13 LEU 4 13.104 0.411 11.626
39 HD21 LEU 4 HD21 LEU 4 14.069 -1.919 10.288
40 HD22 LEU 4 HD22 LEU 4 13.171 -2.294 8.769
41 HD23 LEU 4 HD23 LEU 4 12.307 -2.302 10.354
42 H SER 5 HN SER 5 9.701 1.215 7.141
43 HA SER 5 HA SER 5 12.033 1.850 5.607
44 HB2 SER 5 HB2 SER 5 9.061 1.620 4.808
45 HB3 SER 5 HB1 SER 5 10.406 1.917 3.636
46 HG SER 5 HG SER 5 9.730 -0.300 3.934
47 H LYS 6 HN LYS 6 12.367 3.857 6.995
48 HA LYS 6 HA LYS 6 10.998 6.086 5.697
49 HB2 LYS 6 HB2 LYS 6 9.887 6.114 7.843
50 HB3 LYS 6 HB1 LYS 6 11.377 5.527 8.670
51 HG2 LYS 6 HG2 LYS 6 10.747 7.974 9.114
52 HG3 LYS 6 HG1 LYS 6 12.432 7.685 8.572
53 HD2 LYS 6 HD2 LYS 6 11.459 8.193 6.153
54 HD3 LYS 6 HD1 LYS 6 10.092 8.931 7.047
55 HE2 LYS 6 HE2 LYS 6 11.355 10.845 7.111
56 HE3 LYS 6 HE1 LYS 6 12.379 10.005 8.342
57 H PHE 7 HN PHE 7 13.483 5.108 8.053
58 HA PHE 7 HA PHE 7 15.137 7.237 7.800
59 HB2 PHE 7 HB2 PHE 7 15.843 4.295 8.114
60 HB3 PHE 7 HB1 PHE 7 16.881 5.677 8.631
61 HD1 PHE 7 HD1 PHE 7 14.316 3.402 9.442
62 HD2 PHE 7 HD2 PHE 7 15.916 7.219 10.386
63 HE1 PHE 7 HE1 PHE 7 13.160 3.353 11.587
64 HE2 PHE 7 HE2 PHE 7 14.757 7.159 12.540
65 HZ PHE 7 HZ PHE 7 13.391 5.220 13.097
66 H PHE 8 HN PHE 8 15.007 4.230 5.720
67 HA PHE 8 HA PHE 8 17.057 5.505 4.136
68 HB2 PHE 8 HB2 PHE 8 16.917 3.298 2.744
69 HB3 PHE 8 HB1 PHE 8 17.718 3.248 4.358
70 HD1 PHE 8 HD1 PHE 8 14.760 2.296 2.420
71 HD2 PHE 8 HD2 PHE 8 16.700 2.168 6.192
72 HE1 PHE 8 HE1 PHE 8 13.236 0.534 3.150
73 HE2 PHE 8 HE2 PHE 8 15.181 0.412 6.917
74 HZ PHE 8 HZ PHE 8 13.445 -0.420 5.401
75 H ARG 9 HN ARG 9 13.626 5.106 4.267
76 HA ARG 9 HA ARG 9 13.150 5.140 1.493
77 HB2 ARG 9 HB2 ARG 9 11.394 4.584 3.238
78 HB3 ARG 9 HB1 ARG 9 11.412 6.316 3.719
79 HG2 ARG 9 HG2 ARG 9 10.996 5.700 0.785
80 HG3 ARG 9 HG1 ARG 9 9.656 5.293 1.928
81 HD2 ARG 9 HD2 ARG 9 9.790 7.695 2.814
82 HD3 ARG 9 HD1 ARG 9 10.972 8.042 1.477
83 HE ARG 9 HE ARG 9 8.639 6.797 0.340
84 HH11 ARG 9 HH11 ARG 9 9.711 9.780 1.966
85 HH12 ARG 9 HH12 ARG 9 8.562 10.808 1.177
86 HH21 ARG 9 HH21 ARG 9 7.075 8.194 -0.735
87 HH22 ARG 9 HH22 ARG 9 7.037 9.890 -0.385
88 H ASN 10 HN ASN 10 13.688 7.641 4.009
89 HA ASN 10 HA ASN 10 13.058 9.810 2.377
90 HB2 ASN 10 HB2 ASN 10 15.043 9.566 4.714
91 HB3 ASN 10 HB1 ASN 10 14.626 11.134 3.926
92 HD21 ASN 10 HD21 ASN 10 14.050 9.586 6.701
93 H PHE 11 HN PHE 11 16.076 7.846 2.770
94 HA PHE 11 HA PHE 11 17.605 9.547 1.117
95 HB2 PHE 11 HB2 PHE 11 17.860 6.610 1.966
96 HB3 PHE 11 HB1 PHE 11 18.917 7.265 0.651
97 HD1 PHE 11 HD1 PHE 11 18.628 6.753 4.115
98 HD2 PHE 11 HD2 PHE 11 20.089 9.529 1.250
99 HE1 PHE 11 HE1 PHE 11 20.167 7.667 5.784
100 HE2 PHE 11 HE2 PHE 11 21.624 10.440 2.919
101 HZ PHE 11 HZ PHE 11 21.670 9.513 5.190
102 H ILE 12 HN ILE 12 15.753 6.474 0.532
103 HA ILE 12 HA ILE 12 14.443 7.208 -1.698
104 HB ILE 12 HB ILE 12 15.767 5.664 -3.387
105 HG12 ILE 12 HG12 ILE 12 18.285 6.937 -2.439
106 HG13 ILE 12 HG11 ILE 12 17.644 5.691 -1.309
107 HG21 ILE 12 HG21 ILE 12 15.386 8.476 -3.067
108 HG22 ILE 12 HG22 ILE 12 15.813 7.582 -4.575
109 HG23 ILE 12 HG23 ILE 12 17.116 8.269 -3.535
110 HD11 ILE 12 HD11 ILE 12 18.995 4.418 -2.796
111 HD12 ILE 12 HD12 ILE 12 18.471 5.365 -4.242
112 HD13 ILE 12 HD13 ILE 12 17.331 4.199 -3.464
113 H LEU 13 HN LEU 13 13.137 5.455 -2.395
114 HA LEU 13 HA LEU 13 13.810 2.916 -1.116
115 HB2 LEU 13 HB2 LEU 13 11.870 4.099 0.066
116 HB3 LEU 13 HB1 LEU 13 10.983 4.066 -1.495
117 HG LEU 13 HG LEU 13 12.070 1.417 -0.673
118 HD11 LEU 13 HD11 LEU 13 10.035 2.871 1.119
119 HD12 LEU 13 HD12 LEU 13 11.591 2.088 1.594
120 HD13 LEU 13 HD13 LEU 13 10.197 1.074 1.061
121 HD21 LEU 13 HD21 LEU 13 9.121 1.996 -1.161
122 HD22 LEU 13 HD22 LEU 13 10.129 0.593 -1.680
123 HD23 LEU 13 HD23 LEU 13 10.275 2.176 -2.534
124 H GLN 14 HN GLN 14 13.973 1.283 -2.597
125 HA GLN 14 HA GLN 14 12.556 1.711 -5.127
126 HB2 GLN 14 HB2 GLN 14 15.386 0.574 -4.695
127 HB3 GLN 14 HB1 GLN 14 14.471 0.436 -6.240
128 HG2 GLN 14 HG2 GLN 14 14.462 2.871 -6.545
129 HG3 GLN 14 HG1 GLN 14 15.179 3.124 -4.903
130 HE21 GLN 14 HE21 GLN 14 16.272 3.867 -7.613
131 HE22 GLN 14 HE22 GLN 14 17.816 3.095 -7.726
132 H ARG 15 HN ARG 15 12.149 0.369 -2.414
133 HA ARG 15 HA ARG 15 12.402 -2.393 -3.097
134 HB2 ARG 15 HB2 ARG 15 11.009 -1.076 -0.700
135 HB3 ARG 15 HB1 ARG 15 11.295 -2.840 -0.893
136 HG2 ARG 15 HG2 ARG 15 13.549 -0.745 -0.807
137 HG3 ARG 15 HG1 ARG 15 12.936 -1.620 0.637
138 HD2 ARG 15 HD2 ARG 15 13.557 -3.823 -0.444
139 HD3 ARG 15 HD1 ARG 15 14.232 -2.915 -1.866
140 HE ARG 15 HE ARG 15 15.400 -3.051 0.875
141 HH11 ARG 15 HH11 ARG 15 15.342 -1.560 -2.366
142 HH12 ARG 15 HH12 ARG 15 16.940 -0.901 -2.257
143 HH21 ARG 15 HH21 ARG 15 17.568 -2.156 1.016
144 HH22 ARG 15 HH22 ARG 15 18.226 -1.247 -0.303
145 H LYS 16 HN LYS 16 11.052 -1.997 -5.148
146 HA LYS 16 HA LYS 16 8.354 -1.321 -4.887
147 HB2 LYS 16 HB2 LYS 16 9.581 -1.310 -7.086
148 HB3 LYS 16 HB1 LYS 16 9.720 -3.098 -6.988
149 HG2 LYS 16 HG2 LYS 16 7.895 -2.544 -8.494
150 HG3 LYS 16 HG1 LYS 16 7.204 -3.268 -7.003
151 HD2 LYS 16 HD2 LYS 16 6.600 -1.017 -6.151
152 HD3 LYS 16 HD1 LYS 16 7.385 -0.243 -7.571
153 HE2 LYS 16 HE2 LYS 16 5.723 -1.349 -9.100
154 HE3 LYS 16 HE1 LYS 16 4.935 -2.132 -7.666
155 HZ1 LYS 16 HZ1 LYS 16 4.478 0.386 -8.726
156 HZ2 LYS 16 HZ2 LYS 16 5.226 0.638 -7.222
157 HZ3 LYS 16 HZ3 LYS 16 3.816 -0.304 -7.322
158 H LYS 17 HN LYS 17 10.134 -4.451 -4.815
159 HA LYS 17 HA LYS 17 7.733 -5.587 -3.592
160 HB2 LYS 17 HB2 LYS 17 9.334 -6.709 -5.947
161 HB3 LYS 17 HB1 LYS 17 8.507 -7.821 -4.799
162 HG2 LYS 17 HG2 LYS 17 7.015 -5.534 -6.200
163 HG3 LYS 17 HG1 LYS 17 7.241 -7.140 -6.974
164 HD2 LYS 17 HD2 LYS 17 6.134 -8.227 -4.987
165 HD3 LYS 17 HD1 LYS 17 5.865 -6.604 -4.266
166 HE2 LYS 17 HE2 LYS 17 4.770 -7.445 -7.032
167 HE3 LYS 17 HE1 LYS 17 3.831 -7.556 -5.486
168 HZ1 LYS 17 HZ1 LYS 17 4.955 -5.012 -5.625
169 HZ2 LYS 17 HZ2 LYS 17 3.321 -5.461 -5.747
170 HZ3 LYS 17 HZ3 LYS 17 4.275 -5.335 -7.146
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 2.353 -0.072 8.044
2 H2 GLU 1 HT2 GLU 1 1.538 1.093 7.112
3 H3 GLU 1 HT3 GLU 1 0.745 0.336 8.410
4 HA GLU 1 HA GLU 1 2.300 2.660 8.398
5 HB2 GLU 1 HB2 GLU 1 0.804 1.070 10.558
6 HB3 GLU 1 HB1 GLU 1 1.527 2.689 10.866
7 HG2 GLU 1 HG2 GLU 1 0.061 3.733 9.156
8 HG3 GLU 1 HG1 GLU 1 -0.607 2.117 8.699
9 H MET 2 HN MET 2 4.391 1.144 7.831
10 HA MET 2 HA MET 2 5.606 0.446 10.406
11 HB2 MET 2 HB2 MET 2 5.561 -1.276 8.436
12 HB3 MET 2 HB1 MET 2 6.704 -0.166 7.606
13 HG2 MET 2 HG2 MET 2 8.000 -1.902 8.674
14 HG3 MET 2 HG1 MET 2 8.277 -0.374 9.564
15 HE1 MET 2 HE1 MET 2 9.321 -2.655 10.471
16 HE2 MET 2 HE2 MET 2 8.665 -3.416 11.961
17 HE3 MET 2 HE3 MET 2 9.186 -1.697 11.988
18 H ARG 3 HN ARG 3 6.943 1.994 11.267
19 HA ARG 3 HA ARG 3 7.686 4.177 9.537
20 HB2 ARG 3 HB2 ARG 3 7.066 4.645 11.949
21 HB3 ARG 3 HB1 ARG 3 8.509 3.692 12.458
22 HG2 ARG 3 HG2 ARG 3 10.041 5.279 11.439
23 HG3 ARG 3 HG1 ARG 3 8.706 6.141 10.597
24 HD2 ARG 3 HD2 ARG 3 8.985 5.981 13.685
25 HD3 ARG 3 HD1 ARG 3 9.569 7.371 12.663
26 HE ARG 3 HE ARG 3 6.830 6.885 11.987
27 HH11 ARG 3 HH11 ARG 3 8.852 7.898 14.737
28 HH12 ARG 3 HH12 ARG 3 7.636 8.893 15.465
29 HH21 ARG 3 HH21 ARG 3 5.174 8.239 12.974
30 HH22 ARG 3 HH22 ARG 3 5.508 9.090 14.444
31 H LEU 4 HN LEU 4 9.015 1.097 10.382
32 HA LEU 4 HA LEU 4 11.703 1.783 10.473
33 HB2 LEU 4 HB2 LEU 4 10.919 -0.553 10.960
34 HB3 LEU 4 HB1 LEU 4 10.478 -0.746 9.225
35 HG LEU 4 HG LEU 4 12.830 -0.422 8.548
36 HD11 LEU 4 HD11 LEU 4 13.683 1.094 10.230
37 HD12 LEU 4 HD12 LEU 4 14.638 -0.434 10.376
38 HD13 LEU 4 HD13 LEU 4 13.332 -0.070 11.566
39 HD21 LEU 4 HD21 LEU 4 12.183 -2.726 8.888
40 HD22 LEU 4 HD22 LEU 4 12.336 -2.585 10.681
41 HD23 LEU 4 HD23 LEU 4 13.811 -2.531 9.642
42 H SER 5 HN SER 5 9.444 1.338 7.695
43 HA SER 5 HA SER 5 11.572 1.695 5.812
44 HB2 SER 5 HB2 SER 5 8.519 2.015 5.460
45 HB3 SER 5 HB1 SER 5 9.728 2.012 4.114
46 HG SER 5 HG SER 5 8.530 -0.029 5.271
47 H LYS 6 HN LYS 6 12.421 3.579 7.164
48 HA LYS 6 HA LYS 6 11.179 6.030 6.170
49 HB2 LYS 6 HB2 LYS 6 10.488 6.113 8.482
50 HB3 LYS 6 HB1 LYS 6 12.004 5.295 9.011
51 HG2 LYS 6 HG2 LYS 6 11.817 7.784 9.606
52 HG3 LYS 6 HG1 LYS 6 13.316 7.296 8.754
53 HD2 LYS 6 HD2 LYS 6 12.003 8.033 6.568
54 HD3 LYS 6 HD1 LYS 6 10.932 8.904 7.712
55 HE2 LYS 6 HE2 LYS 6 12.434 10.633 7.577
56 HE3 LYS 6 HE1 LYS 6 13.540 9.615 8.583
57 H PHE 7 HN PHE 7 13.887 4.623 8.000
58 HA PHE 7 HA PHE 7 15.747 6.528 7.497
59 HB2 PHE 7 HB2 PHE 7 16.092 3.507 7.611
60 HB3 PHE 7 HB1 PHE 7 17.378 4.720 7.971
61 HD1 PHE 7 HD1 PHE 7 14.694 2.763 9.163
62 HD2 PHE 7 HD2 PHE 7 16.956 6.279 9.908
63 HE1 PHE 7 HE1 PHE 7 13.928 2.763 11.477
64 HE2 PHE 7 HE2 PHE 7 16.178 6.272 12.229
65 HZ PHE 7 HZ PHE 7 14.669 4.507 12.968
66 H PHE 8 HN PHE 8 14.842 3.662 5.413
67 HA PHE 8 HA PHE 8 16.731 4.729 3.505
68 HB2 PHE 8 HB2 PHE 8 16.011 2.601 2.135
69 HB3 PHE 8 HB1 PHE 8 17.128 2.409 3.537
70 HD1 PHE 8 HD1 PHE 8 13.736 1.859 2.277
71 HD2 PHE 8 HD2 PHE 8 16.392 1.432 5.561
72 HE1 PHE 8 HE1 PHE 8 12.193 0.286 3.329
73 HE2 PHE 8 HE2 PHE 8 14.852 -0.134 6.605
74 HZ PHE 8 HZ PHE 8 12.749 -0.721 5.494
75 H ARG 9 HN ARG 9 13.372 4.804 4.270
76 HA ARG 9 HA ARG 9 12.405 4.993 1.627
77 HB2 ARG 9 HB2 ARG 9 10.926 4.592 3.641
78 HB3 ARG 9 HB1 ARG 9 11.275 6.276 4.164
79 HG2 ARG 9 HG2 ARG 9 10.257 5.891 1.342
80 HG3 ARG 9 HG1 ARG 9 9.099 5.601 2.698
81 HD2 ARG 9 HD2 ARG 9 9.749 7.909 3.626
82 HD3 ARG 9 HD1 ARG 9 10.680 8.171 2.088
83 HE ARG 9 HE ARG 9 8.031 7.322 1.387
84 HH11 ARG 9 HH11 ARG 9 9.758 10.016 2.949
85 HH12 ARG 9 HH12 ARG 9 8.622 11.230 2.465
86 HH21 ARG 9 HH21 ARG 9 6.483 8.972 0.726
87 HH22 ARG 9 HH22 ARG 9 6.727 10.624 1.179
88 H ASN 10 HN ASN 10 13.712 7.297 4.044
89 HA ASN 10 HA ASN 10 13.102 9.595 2.591
90 HB2 ASN 10 HB2 ASN 10 15.422 8.993 4.522
91 HB3 ASN 10 HB1 ASN 10 15.088 10.634 3.851
92 HD21 ASN 10 HD21 ASN 10 14.811 9.047 6.654
93 H PHE 11 HN PHE 11 15.835 7.233 2.396
94 HA PHE 11 HA PHE 11 17.263 8.788 0.519
95 HB2 PHE 11 HB2 PHE 11 17.296 5.827 1.310
96 HB3 PHE 11 HB1 PHE 11 18.152 6.359 -0.192
97 HD1 PHE 11 HD1 PHE 11 18.449 5.883 3.289
98 HD2 PHE 11 HD2 PHE 11 19.727 8.404 0.117
99 HE1 PHE 11 HE1 PHE 11 20.396 6.566 4.612
100 HE2 PHE 11 HE2 PHE 11 21.666 9.085 1.440
101 HZ PHE 11 HZ PHE 11 22.008 8.167 3.689
102 H ILE 12 HN ILE 12 14.982 5.948 0.206
103 HA ILE 12 HA ILE 12 13.455 6.954 -1.763
104 HB ILE 12 HB ILE 12 15.261 7.137 -3.358
105 HG12 ILE 12 HG12 ILE 12 14.682 5.332 -5.044
106 HG13 ILE 12 HG11 ILE 12 13.655 4.561 -3.791
107 HG21 ILE 12 HG21 ILE 12 16.237 4.735 -1.894
108 HG22 ILE 12 HG22 ILE 12 17.148 5.951 -2.863
109 HG23 ILE 12 HG23 ILE 12 16.366 4.549 -3.683
110 HD11 ILE 12 HD11 ILE 12 12.883 6.614 -5.618
111 HD12 ILE 12 HD12 ILE 12 13.029 7.447 -4.024
112 HD13 ILE 12 HD13 ILE 12 11.939 6.018 -4.199
113 H LEU 13 HN LEU 13 11.748 5.542 -2.036
114 HA LEU 13 HA LEU 13 12.280 2.787 -1.201
115 HB2 LEU 13 HB2 LEU 13 10.983 4.013 0.590
116 HB3 LEU 13 HB1 LEU 13 9.761 4.466 -0.647
117 HG LEU 13 HG LEU 13 9.286 2.044 -1.051
118 HD11 LEU 13 HD11 LEU 13 11.607 1.717 0.831
119 HD12 LEU 13 HD12 LEU 13 11.003 0.631 -0.478
120 HD13 LEU 13 HD13 LEU 13 10.202 0.628 1.140
121 HD21 LEU 13 HD21 LEU 13 8.934 3.235 1.751
122 HD22 LEU 13 HD22 LEU 13 8.257 1.616 1.329
123 HD23 LEU 13 HD23 LEU 13 7.731 3.081 0.415
124 H GLN 14 HN GLN 14 11.870 1.403 -2.886
125 HA GLN 14 HA GLN 14 9.743 2.226 -4.719
126 HB2 GLN 14 HB2 GLN 14 12.507 1.134 -5.478
127 HB3 GLN 14 HB1 GLN 14 11.104 1.140 -6.604
128 HG2 GLN 14 HG2 GLN 14 11.006 3.596 -6.593
129 HG3 GLN 14 HG1 GLN 14 12.260 3.686 -5.293
130 HE21 GLN 14 HE21 GLN 14 12.349 4.780 -8.087
131 HE22 GLN 14 HE22 GLN 14 13.738 4.067 -8.833
132 H ARG 15 HN ARG 15 11.826 -0.264 -3.251
133 HA ARG 15 HA ARG 15 11.504 -2.392 -2.848
134 HB2 ARG 15 HB2 ARG 15 8.522 -1.822 -3.330
135 HB3 ARG 15 HB1 ARG 15 9.172 -3.373 -2.698
136 HG2 ARG 15 HG2 ARG 15 9.575 -0.650 -1.324
137 HG3 ARG 15 HG1 ARG 15 8.251 -1.799 -0.928
138 HD2 ARG 15 HD2 ARG 15 10.026 -3.572 -0.394
139 HD3 ARG 15 HD1 ARG 15 11.294 -2.287 -0.621
140 HE ARG 15 HE ARG 15 9.312 -1.290 1.203
141 HH11 ARG 15 HH11 ARG 15 11.806 -3.813 0.904
142 HH12 ARG 15 HH12 ARG 15 12.180 -3.865 2.593
143 HH21 ARG 15 HH21 ARG 15 9.821 -1.357 3.509
144 HH22 ARG 15 HH22 ARG 15 11.030 -2.447 4.098
145 H LYS 16 HN LYS 16 11.873 -1.247 -5.645
146 HA LYS 16 HA LYS 16 10.461 -2.851 -7.432
147 HB2 LYS 16 HB2 LYS 16 11.766 -0.825 -8.140
148 HB3 LYS 16 HB1 LYS 16 13.286 -1.671 -7.692
149 HG2 LYS 16 HG2 LYS 16 13.007 -1.790 -10.105
150 HG3 LYS 16 HG1 LYS 16 12.785 -3.435 -9.420
151 HD2 LYS 16 HD2 LYS 16 10.323 -3.216 -9.592
152 HD3 LYS 16 HD1 LYS 16 10.487 -1.519 -10.163
153 HE2 LYS 16 HE2 LYS 16 11.687 -2.321 -12.221
154 HE3 LYS 16 HE1 LYS 16 11.527 -4.032 -11.641
155 HZ1 LYS 16 HZ1 LYS 16 9.035 -3.371 -11.502
156 HZ2 LYS 16 HZ2 LYS 16 9.739 -3.808 -12.985
157 HZ3 LYS 16 HZ3 LYS 16 9.474 -2.171 -12.620
158 H LYS 17 HN LYS 17 13.596 -3.291 -5.708
159 HA LYS 17 HA LYS 17 13.787 -5.939 -6.890
160 HB2 LYS 17 HB2 LYS 17 15.886 -4.549 -6.718
161 HB3 LYS 17 HB1 LYS 17 15.654 -4.464 -4.936
162 HG2 LYS 17 HG2 LYS 17 15.884 -6.939 -4.771
163 HG3 LYS 17 HG1 LYS 17 16.073 -7.051 -6.555
164 HD2 LYS 17 HD2 LYS 17 18.155 -5.698 -6.442
165 HD3 LYS 17 HD1 LYS 17 17.949 -5.492 -4.669
166 HE2 LYS 17 HE2 LYS 17 19.619 -7.274 -5.134
167 HE3 LYS 17 HE1 LYS 17 18.139 -8.013 -4.390
168 HZ1 LYS 17 HZ1 LYS 17 19.339 -8.771 -6.694
169 HZ2 LYS 17 HZ2 LYS 17 18.024 -7.854 -7.254
170 HZ3 LYS 17 HZ3 LYS 17 17.760 -9.166 -6.208
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 2.358 -1.191 8.820
2 H2 GLU 1 HT2 GLU 1 0.963 -0.411 8.245
3 H3 GLU 1 HT3 GLU 1 0.858 -1.473 9.567
4 HA GLU 1 HA GLU 1 1.530 1.288 9.482
5 HB2 GLU 1 HB2 GLU 1 0.816 -0.743 11.671
6 HB3 GLU 1 HB1 GLU 1 1.079 1.004 12.016
7 HG2 GLU 1 HG2 GLU 1 -0.814 1.641 10.548
8 HG3 GLU 1 HG1 GLU 1 -1.038 -0.077 10.035
9 H MET 2 HN MET 2 3.885 0.772 8.651
10 HA MET 2 HA MET 2 5.531 0.543 11.069
11 HB2 MET 2 HB2 MET 2 6.126 -0.570 8.261
12 HB3 MET 2 HB1 MET 2 7.351 -0.440 9.572
13 HG2 MET 2 HG2 MET 2 6.074 -1.990 10.993
14 HG3 MET 2 HG1 MET 2 4.739 -2.044 9.801
15 HE1 MET 2 HE1 MET 2 8.845 -2.273 9.169
16 HE2 MET 2 HE2 MET 2 8.903 -3.966 9.768
17 HE3 MET 2 HE3 MET 2 8.218 -2.669 10.807
18 H ARG 3 HN ARG 3 7.157 2.120 11.241
19 HA ARG 3 HA ARG 3 7.066 4.093 9.060
20 HB2 ARG 3 HB2 ARG 3 6.516 4.769 11.556
21 HB3 ARG 3 HB1 ARG 3 8.288 4.574 11.808
22 HG2 ARG 3 HG2 ARG 3 8.743 6.269 10.019
23 HG3 ARG 3 HG1 ARG 3 6.977 6.447 9.736
24 HD2 ARG 3 HD2 ARG 3 6.695 7.270 12.125
25 HD3 ARG 3 HD1 ARG 3 8.500 7.164 12.339
26 HE ARG 3 HE ARG 3 7.967 8.696 9.972
27 HH11 ARG 3 HH11 ARG 3 7.514 8.793 13.503
28 HH12 ARG 3 HH12 ARG 3 7.604 10.518 13.624
29 HH21 ARG 3 HH21 ARG 3 8.091 11.044 10.133
30 HH22 ARG 3 HH22 ARG 3 7.937 11.819 11.674
31 H LEU 4 HN LEU 4 8.788 1.431 9.832
32 HA LEU 4 HA LEU 4 11.385 2.491 9.981
33 HB2 LEU 4 HB2 LEU 4 10.451 -0.252 8.973
34 HB3 LEU 4 HB1 LEU 4 12.178 0.209 9.209
35 HG LEU 4 HG LEU 4 9.989 0.097 11.351
36 HD11 LEU 4 HD11 LEU 4 12.033 -1.832 10.379
37 HD12 LEU 4 HD12 LEU 4 10.575 -2.096 11.413
38 HD13 LEU 4 HD13 LEU 4 12.123 -1.542 12.159
39 HD21 LEU 4 HD21 LEU 4 12.879 1.136 11.468
40 HD22 LEU 4 HD22 LEU 4 11.990 0.582 12.939
41 HD23 LEU 4 HD23 LEU 4 11.358 1.970 11.967
42 H SER 5 HN SER 5 9.104 1.993 7.327
43 HA SER 5 HA SER 5 11.179 2.264 5.361
44 HB2 SER 5 HB2 SER 5 9.151 2.772 3.791
45 HB3 SER 5 HB1 SER 5 9.171 1.126 4.539
46 HG SER 5 HG SER 5 7.747 3.425 5.414
47 H LYS 6 HN LYS 6 11.997 4.107 6.868
48 HA LYS 6 HA LYS 6 10.959 6.590 5.763
49 HB2 LYS 6 HB2 LYS 6 9.907 6.662 7.958
50 HB3 LYS 6 HB1 LYS 6 11.341 5.873 8.717
51 HG2 LYS 6 HG2 LYS 6 11.045 8.384 9.204
52 HG3 LYS 6 HG1 LYS 6 12.659 7.882 8.602
53 HD2 LYS 6 HD2 LYS 6 11.665 8.519 6.218
54 HD3 LYS 6 HD1 LYS 6 10.452 9.436 7.166
55 HE2 LYS 6 HE2 LYS 6 11.965 11.160 7.161
56 HE3 LYS 6 HE1 LYS 6 12.922 10.189 8.351
57 H PHE 7 HN PHE 7 13.294 5.148 8.040
58 HA PHE 7 HA PHE 7 15.278 6.979 7.739
59 HB2 PHE 7 HB2 PHE 7 15.475 3.960 8.068
60 HB3 PHE 7 HB1 PHE 7 16.760 5.141 8.526
61 HD1 PHE 7 HD1 PHE 7 13.829 3.392 9.444
62 HD2 PHE 7 HD2 PHE 7 16.187 6.817 10.304
63 HE1 PHE 7 HE1 PHE 7 12.768 3.573 11.629
64 HE2 PHE 7 HE2 PHE 7 15.119 6.989 12.497
65 HZ PHE 7 HZ PHE 7 13.420 5.358 13.115
66 H PHE 8 HN PHE 8 14.597 4.011 5.714
67 HA PHE 8 HA PHE 8 16.774 4.928 4.045
68 HB2 PHE 8 HB2 PHE 8 15.935 2.651 2.757
69 HB3 PHE 8 HB1 PHE 8 17.229 2.684 4.010
70 HD1 PHE 8 HD1 PHE 8 13.769 1.777 3.259
71 HD2 PHE 8 HD2 PHE 8 16.788 1.963 6.239
72 HE1 PHE 8 HE1 PHE 8 12.472 0.264 4.675
73 HE2 PHE 8 HE2 PHE 8 15.492 0.459 7.648
74 HZ PHE 8 HZ PHE 8 13.330 -0.400 6.874
75 H ARG 9 HN ARG 9 13.291 4.943 4.253
76 HA ARG 9 HA ARG 9 12.798 5.007 1.493
77 HB2 ARG 9 HB2 ARG 9 11.008 4.689 3.249
78 HB3 ARG 9 HB1 ARG 9 11.224 6.417 3.702
79 HG2 ARG 9 HG2 ARG 9 9.981 7.139 1.965
80 HG3 ARG 9 HG1 ARG 9 10.858 6.090 0.785
81 HD2 ARG 9 HD2 ARG 9 9.461 4.133 1.501
82 HD3 ARG 9 HD1 ARG 9 8.551 5.206 2.653
83 HE ARG 9 HE ARG 9 8.489 6.411 0.041
84 HH11 ARG 9 HH11 ARG 9 7.314 3.563 1.828
85 HH12 ARG 9 HH12 ARG 9 5.879 3.367 0.880
86 HH21 ARG 9 HH21 ARG 9 6.535 6.146 -1.250
87 HH22 ARG 9 HH22 ARG 9 5.429 4.860 -0.900
88 H ASN 10 HN ASN 10 13.673 7.473 3.954
89 HA ASN 10 HA ASN 10 13.258 9.693 2.319
90 HB2 ASN 10 HB2 ASN 10 15.274 9.217 4.596
91 HB3 ASN 10 HB1 ASN 10 15.028 10.822 3.809
92 HD21 ASN 10 HD21 ASN 10 14.490 9.689 6.659
93 H PHE 11 HN PHE 11 16.003 7.375 2.652
94 HA PHE 11 HA PHE 11 17.683 8.883 0.928
95 HB2 PHE 11 HB2 PHE 11 17.685 5.979 1.939
96 HB3 PHE 11 HB1 PHE 11 18.786 6.471 0.589
97 HD1 PHE 11 HD1 PHE 11 18.533 6.099 4.049
98 HD2 PHE 11 HD2 PHE 11 20.105 8.713 1.090
99 HE1 PHE 11 HE1 PHE 11 20.165 6.949 5.665
100 HE2 PHE 11 HE2 PHE 11 21.731 9.561 2.706
101 HZ PHE 11 HZ PHE 11 21.768 8.682 4.996
102 H ILE 12 HN ILE 12 15.847 5.770 0.477
103 HA ILE 12 HA ILE 12 14.472 6.485 -1.730
104 HB ILE 12 HB ILE 12 16.546 6.776 -2.998
105 HG12 ILE 12 HG12 ILE 12 15.341 4.062 -3.729
106 HG13 ILE 12 HG11 ILE 12 14.474 5.621 -3.975
107 HG21 ILE 12 HG21 ILE 12 18.319 5.182 -3.041
108 HG22 ILE 12 HG22 ILE 12 17.275 3.852 -2.417
109 HG23 ILE 12 HG23 ILE 12 17.815 5.169 -1.310
110 HD11 ILE 12 HD11 ILE 12 16.573 4.394 -5.611
111 HD12 ILE 12 HD12 ILE 12 17.095 6.025 -5.043
112 HD13 ILE 12 HD13 ILE 12 15.550 5.838 -5.956
113 H LEU 13 HN LEU 13 12.992 4.840 -2.069
114 HA LEU 13 HA LEU 13 13.796 2.225 -1.037
115 HB2 LEU 13 HB2 LEU 13 12.256 3.345 0.639
116 HB3 LEU 13 HB1 LEU 13 11.044 3.553 -0.671
117 HG LEU 13 HG LEU 13 10.965 1.067 -0.970
118 HD11 LEU 13 HD11 LEU 13 13.236 1.186 0.964
119 HD12 LEU 13 HD12 LEU 13 12.769 -0.104 -0.210
120 HD13 LEU 13 HD13 LEU 13 11.971 -0.022 1.407
121 HD21 LEU 13 HD21 LEU 13 9.708 0.570 1.156
122 HD22 LEU 13 HD22 LEU 13 9.266 2.164 0.432
123 HD23 LEU 13 HD23 LEU 13 10.355 2.096 1.869
124 H GLN 14 HN GLN 14 13.593 0.697 -2.618
125 HA GLN 14 HA GLN 14 11.440 1.047 -4.520
126 HB2 GLN 14 HB2 GLN 14 14.401 0.788 -5.306
127 HB3 GLN 14 HB1 GLN 14 13.049 0.389 -6.426
128 HG2 GLN 14 HG2 GLN 14 12.224 2.703 -6.375
129 HG3 GLN 14 HG1 GLN 14 13.417 3.147 -5.092
130 HE21 GLN 14 HE21 GLN 14 13.123 4.251 -7.870
131 HE22 GLN 14 HE22 GLN 14 14.648 3.998 -8.647
132 H ARG 15 HN ARG 15 10.864 -0.641 -2.835
133 HA ARG 15 HA ARG 15 12.374 -2.991 -2.755
134 HB2 ARG 15 HB2 ARG 15 9.389 -2.534 -2.193
135 HB3 ARG 15 HB1 ARG 15 10.226 -4.099 -1.902
136 HG2 ARG 15 HG2 ARG 15 11.007 -1.424 -0.593
137 HG3 ARG 15 HG1 ARG 15 9.963 -2.675 0.167
138 HD2 ARG 15 HD2 ARG 15 11.891 -4.343 -0.037
139 HD3 ARG 15 HD1 ARG 15 12.935 -2.983 -0.647
140 HE ARG 15 HE ARG 15 11.674 -2.169 1.816
141 HH11 ARG 15 HH11 ARG 15 14.089 -4.431 0.500
142 HH12 ARG 15 HH12 ARG 15 15.063 -4.468 1.931
143 HH21 ARG 15 HH21 ARG 15 12.998 -2.219 3.765
144 HH22 ARG 15 HH22 ARG 15 14.430 -3.188 3.820
145 H LYS 16 HN LYS 16 9.682 -1.843 -4.834
146 HA LYS 16 HA LYS 16 9.672 -4.399 -6.180
147 HB2 LYS 16 HB2 LYS 16 7.498 -3.163 -5.876
148 HB3 LYS 16 HB1 LYS 16 8.184 -1.774 -6.788
149 HG2 LYS 16 HG2 LYS 16 6.747 -3.054 -8.278
150 HG3 LYS 16 HG1 LYS 16 8.450 -3.260 -8.805
151 HD2 LYS 16 HD2 LYS 16 8.555 -5.485 -7.710
152 HD3 LYS 16 HD1 LYS 16 6.890 -5.271 -7.066
153 HE2 LYS 16 HE2 LYS 16 5.984 -5.213 -9.409
154 HE3 LYS 16 HE1 LYS 16 7.664 -5.419 -10.059
155 HZ1 LYS 16 HZ1 LYS 16 5.937 -7.396 -9.432
156 HZ2 LYS 16 HZ2 LYS 16 6.939 -7.359 -8.062
157 HZ3 LYS 16 HZ3 LYS 16 7.618 -7.561 -9.606
158 H LYS 17 HN LYS 17 11.725 -4.596 -7.141
159 HA LYS 17 HA LYS 17 12.679 -2.350 -8.679
160 HB2 LYS 17 HB2 LYS 17 14.208 -3.975 -7.348
161 HB3 LYS 17 HB1 LYS 17 13.815 -5.201 -8.604
162 HG2 LYS 17 HG2 LYS 17 14.803 -3.815 -10.364
163 HG3 LYS 17 HG1 LYS 17 15.030 -2.444 -9.225
164 HD2 LYS 17 HD2 LYS 17 17.185 -3.488 -9.459
165 HD3 LYS 17 HD1 LYS 17 16.565 -3.971 -7.845
166 HE2 LYS 17 HE2 LYS 17 17.563 -5.948 -8.912
167 HE3 LYS 17 HE1 LYS 17 15.765 -6.179 -8.904
168 HZ1 LYS 17 HZ1 LYS 17 16.594 -4.796 -11.232
169 HZ2 LYS 17 HZ2 LYS 17 15.784 -6.280 -11.076
170 HZ3 LYS 17 HZ3 LYS 17 17.481 -6.234 -11.061
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 4.408 -2.202 7.151
2 H2 GLU 1 HT2 GLU 1 3.635 -2.128 5.640
3 H3 GLU 1 HT3 GLU 1 2.803 -2.733 6.991
4 HA GLU 1 HA GLU 1 3.275 -0.024 6.156
5 HB2 GLU 1 HB2 GLU 1 1.250 -1.325 8.074
6 HB3 GLU 1 HB1 GLU 1 1.140 0.351 7.431
7 HG2 GLU 1 HG2 GLU 1 1.034 -2.233 5.727
8 HG3 GLU 1 HG1 GLU 1 -0.379 -1.204 6.184
9 H MET 2 HN MET 2 5.540 -0.116 7.356
10 HA MET 2 HA MET 2 5.008 0.791 10.098
11 HB2 MET 2 HB2 MET 2 7.520 -0.644 9.045
12 HB3 MET 2 HB1 MET 2 7.323 0.022 10.703
13 HG2 MET 2 HG2 MET 2 5.674 -2.251 9.449
14 HG3 MET 2 HG1 MET 2 7.000 -2.442 10.637
15 HE1 MET 2 HE1 MET 2 7.195 -1.636 12.722
16 HE2 MET 2 HE2 MET 2 5.891 -1.430 13.942
17 HE3 MET 2 HE3 MET 2 6.405 -0.035 12.933
18 H ARG 3 HN ARG 3 6.019 2.749 10.685
19 HA ARG 3 HA ARG 3 6.935 4.256 8.404
20 HB2 ARG 3 HB2 ARG 3 5.512 5.300 10.307
21 HB3 ARG 3 HB1 ARG 3 6.989 5.176 11.332
22 HG2 ARG 3 HG2 ARG 3 8.241 6.657 9.826
23 HG3 ARG 3 HG1 ARG 3 6.900 6.662 8.632
24 HD2 ARG 3 HD2 ARG 3 6.677 7.771 11.520
25 HD3 ARG 3 HD1 ARG 3 6.956 8.775 10.029
26 HE ARG 3 HE ARG 3 4.654 7.159 9.542
27 HH11 ARG 3 HH11 ARG 3 5.778 9.726 11.740
28 HH12 ARG 3 HH12 ARG 3 4.212 10.422 11.980
29 HH21 ARG 3 HH21 ARG 3 2.521 8.106 9.867
30 HH22 ARG 3 HH22 ARG 3 2.328 9.484 10.896
31 H LEU 4 HN LEU 4 8.330 2.128 10.709
32 HA LEU 4 HA LEU 4 10.754 3.394 11.182
33 HB2 LEU 4 HB2 LEU 4 9.726 0.939 11.907
34 HB3 LEU 4 HB1 LEU 4 10.858 0.430 10.606
35 HG LEU 4 HG LEU 4 11.913 0.327 12.837
36 HD11 LEU 4 HD11 LEU 4 13.223 2.656 11.319
37 HD12 LEU 4 HD12 LEU 4 13.223 0.964 10.688
38 HD13 LEU 4 HD13 LEU 4 14.012 1.338 12.269
39 HD21 LEU 4 HD21 LEU 4 12.224 2.185 14.303
40 HD22 LEU 4 HD22 LEU 4 10.507 2.320 13.765
41 HD23 LEU 4 HD23 LEU 4 11.766 3.388 13.038
42 H SER 5 HN SER 5 9.455 1.702 8.303
43 HA SER 5 HA SER 5 12.037 1.785 7.018
44 HB2 SER 5 HB2 SER 5 10.360 -0.031 6.407
45 HB3 SER 5 HB1 SER 5 9.235 1.258 5.825
46 HG SER 5 HG SER 5 10.743 1.821 4.289
47 H LYS 6 HN LYS 6 12.088 4.195 7.735
48 HA LYS 6 HA LYS 6 10.897 5.758 5.552
49 HB2 LYS 6 HB2 LYS 6 9.669 6.362 7.637
50 HB3 LYS 6 HB1 LYS 6 11.249 6.564 8.490
51 HG2 LYS 6 HG2 LYS 6 11.122 8.159 5.996
52 HG3 LYS 6 HG1 LYS 6 9.776 8.571 7.106
53 HD2 LYS 6 HD2 LYS 6 11.291 9.223 8.859
54 HD3 LYS 6 HD1 LYS 6 12.694 8.438 8.056
55 HE2 LYS 6 HE2 LYS 6 11.186 10.713 6.639
56 HE3 LYS 6 HE1 LYS 6 12.421 11.081 7.905
57 H PHE 7 HN PHE 7 13.337 5.540 8.151
58 HA PHE 7 HA PHE 7 14.871 7.646 7.433
59 HB2 PHE 7 HB2 PHE 7 15.718 4.894 8.403
60 HB3 PHE 7 HB1 PHE 7 16.704 6.396 8.563
61 HD1 PHE 7 HD1 PHE 7 14.253 4.279 9.942
62 HD2 PHE 7 HD2 PHE 7 15.672 8.281 9.899
63 HE1 PHE 7 HE1 PHE 7 13.110 4.704 12.050
64 HE2 PHE 7 HE2 PHE 7 14.525 8.698 12.020
65 HZ PHE 7 HZ PHE 7 13.256 6.895 13.053
66 H PHE 8 HN PHE 8 14.937 4.271 5.994
67 HA PHE 8 HA PHE 8 17.009 5.283 4.265
68 HB2 PHE 8 HB2 PHE 8 16.620 2.820 3.204
69 HB3 PHE 8 HB1 PHE 8 17.717 3.119 4.600
70 HD1 PHE 8 HD1 PHE 8 14.616 1.617 3.472
71 HD2 PHE 8 HD2 PHE 8 16.971 2.646 6.849
72 HE1 PHE 8 HE1 PHE 8 13.323 0.070 4.850
73 HE2 PHE 8 HE2 PHE 8 15.680 1.107 8.221
74 HZ PHE 8 HZ PHE 8 13.853 -0.191 7.228
75 H ARG 9 HN ARG 9 13.552 4.838 4.334
76 HA ARG 9 HA ARG 9 13.207 4.628 1.549
77 HB2 ARG 9 HB2 ARG 9 11.387 4.224 3.334
78 HB3 ARG 9 HB1 ARG 9 11.306 6.012 3.512
79 HG2 ARG 9 HG2 ARG 9 9.940 6.165 1.740
80 HG3 ARG 9 HG1 ARG 9 11.174 5.383 0.679
81 HD2 ARG 9 HD2 ARG 9 10.325 3.111 1.415
82 HD3 ARG 9 HD1 ARG 9 9.035 3.937 2.398
83 HE ARG 9 HE ARG 9 8.951 4.947 -0.303
84 HH11 ARG 9 HH11 ARG 9 8.343 2.020 1.633
85 HH12 ARG 9 HH12 ARG 9 7.106 1.400 0.591
86 HH21 ARG 9 HH21 ARG 9 7.268 4.104 -1.722
87 HH22 ARG 9 HH22 ARG 9 6.485 2.606 -1.349
88 H ASN 10 HN ASN 10 13.604 7.289 3.891
89 HA ASN 10 HA ASN 10 13.030 9.395 2.168
90 HB2 ASN 10 HB2 ASN 10 14.982 9.186 4.542
91 HB3 ASN 10 HB1 ASN 10 14.623 10.736 3.700
92 HD21 ASN 10 HD21 ASN 10 14.156 10.054 6.545
93 H PHE 11 HN PHE 11 16.012 7.431 2.739
94 HA PHE 11 HA PHE 11 17.606 9.060 1.064
95 HB2 PHE 11 HB2 PHE 11 17.872 6.218 2.183
96 HB3 PHE 11 HB1 PHE 11 18.962 6.749 0.840
97 HD1 PHE 11 HD1 PHE 11 18.618 6.548 4.314
98 HD2 PHE 11 HD2 PHE 11 20.050 9.122 1.252
99 HE1 PHE 11 HE1 PHE 11 20.097 7.646 5.928
100 HE2 PHE 11 HE2 PHE 11 21.526 10.215 2.865
101 HZ PHE 11 HZ PHE 11 21.556 9.480 5.206
102 H ILE 12 HN ILE 12 15.986 5.816 0.565
103 HA ILE 12 HA ILE 12 14.791 6.389 -1.777
104 HB ILE 12 HB ILE 12 16.812 6.853 -2.985
105 HG12 ILE 12 HG12 ILE 12 17.053 4.853 -4.526
106 HG13 ILE 12 HG11 ILE 12 15.966 3.936 -3.433
107 HG21 ILE 12 HG21 ILE 12 17.914 4.762 -1.125
108 HG22 ILE 12 HG22 ILE 12 18.706 6.208 -1.853
109 HG23 ILE 12 HG23 ILE 12 18.557 4.686 -2.808
110 HD11 ILE 12 HD11 ILE 12 14.755 6.542 -4.111
111 HD12 ILE 12 HD12 ILE 12 14.117 4.876 -4.388
112 HD13 ILE 12 HD13 ILE 12 15.207 5.640 -5.607
113 H LEU 13 HN LEU 13 13.454 4.660 -2.205
114 HA LEU 13 HA LEU 13 14.413 2.047 -1.378
115 HB2 LEU 13 HB2 LEU 13 12.945 3.077 0.511
116 HB3 LEU 13 HB1 LEU 13 11.592 3.027 -0.670
117 HG LEU 13 HG LEU 13 13.146 0.478 -0.360
118 HD11 LEU 13 HD11 LEU 13 12.808 1.636 2.036
119 HD12 LEU 13 HD12 LEU 13 12.499 -0.126 1.800
120 HD13 LEU 13 HD13 LEU 13 11.118 1.035 1.842
121 HD21 LEU 13 HD21 LEU 13 10.760 1.202 -1.582
122 HD22 LEU 13 HD22 LEU 13 10.166 0.510 -0.025
123 HD23 LEU 13 HD23 LEU 13 11.210 -0.482 -1.112
124 H GLN 14 HN GLN 14 13.970 0.570 -2.977
125 HA GLN 14 HA GLN 14 11.676 1.112 -4.663
126 HB2 GLN 14 HB2 GLN 14 13.062 0.586 -6.748
127 HB3 GLN 14 HB1 GLN 14 13.405 2.195 -6.021
128 HG2 GLN 14 HG2 GLN 14 15.430 1.234 -4.855
129 HG3 GLN 14 HG1 GLN 14 15.106 -0.362 -5.643
130 HE21 GLN 14 HE21 GLN 14 16.091 -0.714 -7.579
131 HE22 GLN 14 HE22 GLN 14 16.673 0.508 -8.657
132 H ARG 15 HN ARG 15 12.176 -0.696 -2.495
133 HA ARG 15 HA ARG 15 13.162 -3.123 -3.445
134 HB2 ARG 15 HB2 ARG 15 11.159 -2.563 -1.192
135 HB3 ARG 15 HB1 ARG 15 11.879 -4.178 -1.517
136 HG2 ARG 15 HG2 ARG 15 13.511 -1.653 -0.853
137 HG3 ARG 15 HG1 ARG 15 13.002 -2.885 0.352
138 HD2 ARG 15 HD2 ARG 15 14.282 -4.652 -0.966
139 HD3 ARG 15 HD1 ARG 15 14.876 -3.334 -2.073
140 HE ARG 15 HE ARG 15 15.402 -2.562 0.651
141 HH11 ARG 15 HH11 ARG 15 16.343 -4.952 -1.817
142 HH12 ARG 15 HH12 ARG 15 17.961 -5.149 -1.233
143 HH21 ARG 15 HH21 ARG 15 17.604 -2.830 1.447
144 HH22 ARG 15 HH22 ARG 15 18.689 -3.921 0.657
145 H LYS 16 HN LYS 16 9.911 -1.612 -3.435
146 HA LYS 16 HA LYS 16 8.827 -4.021 -4.605
147 HB2 LYS 16 HB2 LYS 16 7.419 -2.696 -2.987
148 HB3 LYS 16 HB1 LYS 16 7.554 -1.269 -4.073
149 HG2 LYS 16 HG2 LYS 16 5.388 -2.313 -4.431
150 HG3 LYS 16 HG1 LYS 16 6.397 -2.576 -5.892
151 HD2 LYS 16 HD2 LYS 16 6.899 -4.895 -5.169
152 HD3 LYS 16 HD1 LYS 16 5.999 -4.639 -3.635
153 HE2 LYS 16 HE2 LYS 16 3.873 -4.301 -4.935
154 HE3 LYS 16 HE1 LYS 16 4.785 -4.558 -6.482
155 HZ1 LYS 16 HZ1 LYS 16 5.330 -6.650 -4.667
156 HZ2 LYS 16 HZ2 LYS 16 4.602 -6.704 -6.200
157 HZ3 LYS 16 HZ3 LYS 16 3.650 -6.455 -4.815
158 H LYS 17 HN LYS 17 9.827 -4.248 -6.630
159 HA LYS 17 HA LYS 17 8.950 -2.242 -8.540
160 HB2 LYS 17 HB2 LYS 17 11.156 -2.080 -9.644
161 HB3 LYS 17 HB1 LYS 17 11.294 -1.522 -7.941
162 HG2 LYS 17 HG2 LYS 17 12.184 -3.774 -7.279
163 HG3 LYS 17 HG1 LYS 17 12.078 -4.313 -8.990
164 HD2 LYS 17 HD2 LYS 17 13.693 -2.545 -9.669
165 HD3 LYS 17 HD1 LYS 17 13.760 -1.935 -7.980
166 HE2 LYS 17 HE2 LYS 17 15.743 -3.357 -8.447
167 HE3 LYS 17 HE1 LYS 17 14.677 -4.193 -7.241
168 HZ1 LYS 17 HZ1 LYS 17 15.626 -5.280 -9.492
169 HZ2 LYS 17 HZ2 LYS 17 14.090 -4.776 -10.013
170 HZ3 LYS 17 HZ3 LYS 17 14.236 -5.805 -8.670
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 0.882 -0.632 8.363
2 H2 GLU 1 HT2 GLU 1 1.802 -0.474 9.781
3 H3 GLU 1 HT3 GLU 1 2.461 -1.254 8.424
4 HA GLU 1 HA GLU 1 1.775 1.115 7.402
5 HB2 GLU 1 HB2 GLU 1 2.737 1.465 10.295
6 HB3 GLU 1 HB1 GLU 1 2.874 2.774 9.067
7 HG2 GLU 1 HG2 GLU 1 0.421 2.863 8.785
8 HG3 GLU 1 HG1 GLU 1 0.205 1.424 9.858
9 H MET 2 HN MET 2 4.303 -0.353 9.546
10 HA MET 2 HA MET 2 6.470 -0.676 9.241
11 HB2 MET 2 HB2 MET 2 5.763 -0.523 6.253
12 HB3 MET 2 HB1 MET 2 7.387 -0.976 6.883
13 HG2 MET 2 HG2 MET 2 6.448 -2.937 8.040
14 HG3 MET 2 HG1 MET 2 4.785 -2.467 7.563
15 HE1 MET 2 HE1 MET 2 8.221 -4.278 5.105
16 HE2 MET 2 HE2 MET 2 8.207 -3.594 6.766
17 HE3 MET 2 HE3 MET 2 8.267 -2.497 5.344
18 H ARG 3 HN ARG 3 6.059 1.788 10.104
19 HA ARG 3 HA ARG 3 6.917 3.778 8.270
20 HB2 ARG 3 HB2 ARG 3 5.626 4.408 10.355
21 HB3 ARG 3 HB1 ARG 3 7.037 3.871 11.342
22 HG2 ARG 3 HG2 ARG 3 8.457 5.623 10.442
23 HG3 ARG 3 HG1 ARG 3 7.257 6.047 9.172
24 HD2 ARG 3 HD2 ARG 3 7.187 7.734 11.007
25 HD3 ARG 3 HD1 ARG 3 5.642 6.774 11.035
26 HE ARG 3 HE ARG 3 7.620 5.528 12.754
27 HH11 ARG 3 HH11 ARG 3 5.466 8.347 12.445
28 HH12 ARG 3 HH12 ARG 3 5.247 8.562 14.150
29 HH21 ARG 3 HH21 ARG 3 7.325 5.819 15.074
30 HH22 ARG 3 HH22 ARG 3 6.324 7.099 15.670
31 H LEU 4 HN LEU 4 8.548 1.237 9.932
32 HA LEU 4 HA LEU 4 10.952 2.489 10.502
33 HB2 LEU 4 HB2 LEU 4 10.492 0.119 11.183
34 HB3 LEU 4 HB1 LEU 4 10.528 -0.370 9.451
35 HG LEU 4 HG LEU 4 12.884 0.347 9.259
36 HD11 LEU 4 HD11 LEU 4 14.164 0.922 11.411
37 HD12 LEU 4 HD12 LEU 4 12.564 1.138 12.219
38 HD13 LEU 4 HD13 LEU 4 13.020 2.192 10.824
39 HD21 LEU 4 HD21 LEU 4 12.704 -1.446 11.744
40 HD22 LEU 4 HD22 LEU 4 13.869 -1.520 10.367
41 HD23 LEU 4 HD23 LEU 4 12.148 -2.006 10.120
42 H SER 5 HN SER 5 9.588 1.238 7.400
43 HA SER 5 HA SER 5 12.031 1.816 6.015
44 HB2 SER 5 HB2 SER 5 9.158 1.319 4.999
45 HB3 SER 5 HB1 SER 5 10.582 1.580 3.912
46 HG SER 5 HG SER 5 10.068 -0.623 4.337
47 H LYS 6 HN LYS 6 12.140 3.984 7.178
48 HA LYS 6 HA LYS 6 10.757 5.973 5.539
49 HB2 LYS 6 HB2 LYS 6 9.538 6.166 7.620
50 HB3 LYS 6 HB1 LYS 6 11.021 5.785 8.573
51 HG2 LYS 6 HG2 LYS 6 10.227 8.218 8.692
52 HG3 LYS 6 HG1 LYS 6 11.944 7.987 8.232
53 HD2 LYS 6 HD2 LYS 6 11.050 8.125 5.751
54 HD3 LYS 6 HD1 LYS 6 9.575 8.832 6.488
55 HE2 LYS 6 HE2 LYS 6 10.659 10.850 6.349
56 HE3 LYS 6 HE1 LYS 6 11.679 10.276 7.728
57 H PHE 7 HN PHE 7 13.165 5.408 8.093
58 HA PHE 7 HA PHE 7 14.719 7.585 7.661
59 HB2 PHE 7 HB2 PHE 7 15.566 4.749 8.365
60 HB3 PHE 7 HB1 PHE 7 16.482 6.249 8.775
61 HD1 PHE 7 HD1 PHE 7 14.021 3.905 9.706
62 HD2 PHE 7 HD2 PHE 7 15.305 7.912 10.274
63 HE1 PHE 7 HE1 PHE 7 12.739 4.021 11.776
64 HE2 PHE 7 HE2 PHE 7 14.012 8.021 12.348
65 HZ PHE 7 HZ PHE 7 12.745 6.064 13.058
66 H PHE 8 HN PHE 8 14.853 4.345 5.964
67 HA PHE 8 HA PHE 8 16.922 5.536 4.335
68 HB2 PHE 8 HB2 PHE 8 16.959 3.140 3.249
69 HB3 PHE 8 HB1 PHE 8 17.730 3.393 4.859
70 HD1 PHE 8 HD1 PHE 8 14.895 1.932 3.060
71 HD2 PHE 8 HD2 PHE 8 16.740 2.549 6.833
72 HE1 PHE 8 HE1 PHE 8 13.477 0.205 4.044
73 HE2 PHE 8 HE2 PHE 8 15.326 0.828 7.808
74 HZ PHE 8 HZ PHE 8 13.691 -0.356 6.419
75 H ARG 9 HN ARG 9 13.507 4.826 4.311
76 HA ARG 9 HA ARG 9 13.254 4.524 1.537
77 HB2 ARG 9 HB2 ARG 9 11.392 4.002 3.121
78 HB3 ARG 9 HB1 ARG 9 11.274 5.753 3.519
79 HG2 ARG 9 HG2 ARG 9 10.078 6.212 1.662
80 HG3 ARG 9 HG1 ARG 9 11.197 5.276 0.594
81 HD2 ARG 9 HD2 ARG 9 10.078 3.148 1.294
82 HD3 ARG 9 HD1 ARG 9 8.938 4.091 2.351
83 HE ARG 9 HE ARG 9 8.855 5.191 -0.310
84 HH11 ARG 9 HH11 ARG 9 8.009 2.270 1.542
85 HH12 ARG 9 HH12 ARG 9 6.681 1.822 0.526
86 HH21 ARG 9 HH21 ARG 9 7.048 4.584 -1.694
87 HH22 ARG 9 HH22 ARG 9 6.125 3.161 -1.347
88 H ASN 10 HN ASN 10 13.395 7.342 3.761
89 HA ASN 10 HA ASN 10 12.712 9.257 1.855
90 HB2 ASN 10 HB2 ASN 10 14.550 9.436 4.316
91 HB3 ASN 10 HB1 ASN 10 14.068 10.867 3.333
92 HD21 ASN 10 HD21 ASN 10 13.484 9.932 6.243
93 H PHE 11 HN PHE 11 15.832 7.615 2.667
94 HA PHE 11 HA PHE 11 17.349 9.268 0.957
95 HB2 PHE 11 HB2 PHE 11 17.776 6.487 2.174
96 HB3 PHE 11 HB1 PHE 11 18.867 7.056 0.846
97 HD1 PHE 11 HD1 PHE 11 18.416 6.944 4.318
98 HD2 PHE 11 HD2 PHE 11 19.790 9.494 1.210
99 HE1 PHE 11 HE1 PHE 11 19.772 8.187 5.934
100 HE2 PHE 11 HE2 PHE 11 21.141 10.734 2.826
101 HZ PHE 11 HZ PHE 11 21.138 10.084 5.192
102 H ILE 12 HN ILE 12 15.893 5.941 0.532
103 HA ILE 12 HA ILE 12 14.775 6.406 -1.878
104 HB ILE 12 HB ILE 12 16.978 6.810 -2.880
105 HG12 ILE 12 HG12 ILE 12 16.059 3.983 -3.602
106 HG13 ILE 12 HG11 ILE 12 15.164 5.472 -4.076
107 HG21 ILE 12 HG21 ILE 12 18.107 5.369 -0.946
108 HG22 ILE 12 HG22 ILE 12 18.855 5.381 -2.586
109 HG23 ILE 12 HG23 ILE 12 17.842 3.982 -2.068
110 HD11 ILE 12 HD11 ILE 12 16.491 5.433 -5.937
111 HD12 ILE 12 HD12 ILE 12 17.698 4.332 -5.170
112 HD13 ILE 12 HD13 ILE 12 17.763 6.106 -4.850
113 H LEU 13 HN LEU 13 13.499 4.635 -2.355
114 HA LEU 13 HA LEU 13 14.376 2.099 -1.206
115 HB2 LEU 13 HB2 LEU 13 12.602 3.162 0.316
116 HB3 LEU 13 HB1 LEU 13 11.483 3.134 -1.089
117 HG LEU 13 HG LEU 13 12.811 0.521 -0.571
118 HD11 LEU 13 HD11 LEU 13 12.293 1.737 1.800
119 HD12 LEU 13 HD12 LEU 13 12.033 -0.029 1.535
120 HD13 LEU 13 HD13 LEU 13 10.637 1.111 1.454
121 HD21 LEU 13 HD21 LEU 13 10.603 1.385 -1.993
122 HD22 LEU 13 HD22 LEU 13 9.817 0.776 -0.488
123 HD23 LEU 13 HD23 LEU 13 10.872 -0.317 -1.460
124 H GLN 14 HN GLN 14 14.430 0.579 -2.805
125 HA GLN 14 HA GLN 14 12.545 0.974 -5.022
126 HB2 GLN 14 HB2 GLN 14 15.429 -0.097 -5.196
127 HB3 GLN 14 HB1 GLN 14 14.259 -0.019 -6.561
128 HG2 GLN 14 HG2 GLN 14 15.307 2.438 -5.015
129 HG3 GLN 14 HG1 GLN 14 15.959 1.857 -6.600
130 HE21 GLN 14 HE21 GLN 14 13.908 4.126 -5.293
131 HE22 GLN 14 HE22 GLN 14 12.775 4.307 -6.587
132 H ARG 15 HN ARG 15 12.861 -0.528 -2.319
133 HA ARG 15 HA ARG 15 13.286 -3.194 -2.974
134 HB2 ARG 15 HB2 ARG 15 11.655 -1.979 -0.683
135 HB3 ARG 15 HB1 ARG 15 12.024 -3.732 -0.828
136 HG2 ARG 15 HG2 ARG 15 14.151 -1.512 -0.645
137 HG3 ARG 15 HG1 ARG 15 13.554 -2.477 0.749
138 HD2 ARG 15 HD2 ARG 15 14.348 -4.598 -0.429
139 HD3 ARG 15 HD1 ARG 15 15.059 -3.551 -1.736
140 HE ARG 15 HE ARG 15 15.985 -2.606 0.824
141 HH11 ARG 15 HH11 ARG 15 16.230 -5.368 -1.411
142 HH12 ARG 15 HH12 ARG 15 17.838 -5.806 -0.940
143 HH21 ARG 15 HH21 ARG 15 18.173 -3.201 1.466
144 HH22 ARG 15 HH22 ARG 15 18.961 -4.553 0.726
145 H LYS 16 HN LYS 16 10.370 -1.110 -2.975
146 HA LYS 16 HA LYS 16 8.784 -3.416 -3.714
147 HB2 LYS 16 HB2 LYS 16 7.783 -1.677 -2.182
148 HB3 LYS 16 HB1 LYS 16 8.040 -0.440 -3.458
149 HG2 LYS 16 HG2 LYS 16 5.708 -1.125 -3.501
150 HG3 LYS 16 HG1 LYS 16 6.510 -1.735 -4.986
151 HD2 LYS 16 HD2 LYS 16 6.699 -4.001 -3.992
152 HD3 LYS 16 HD1 LYS 16 6.006 -3.406 -2.445
153 HE2 LYS 16 HE2 LYS 16 3.847 -2.866 -3.615
154 HE3 LYS 16 HE1 LYS 16 4.549 -3.467 -5.175
155 HZ1 LYS 16 HZ1 LYS 16 4.934 -5.389 -3.155
156 HZ2 LYS 16 HZ2 LYS 16 4.024 -5.491 -4.585
157 HZ3 LYS 16 HZ3 LYS 16 3.304 -4.915 -3.159
158 H LYS 17 HN LYS 17 9.567 -4.042 -5.755
159 HA LYS 17 HA LYS 17 8.918 -2.102 -7.838
160 HB2 LYS 17 HB2 LYS 17 11.637 -3.202 -7.230
161 HB3 LYS 17 HB1 LYS 17 11.115 -3.454 -8.933
162 HG2 LYS 17 HG2 LYS 17 10.789 -0.696 -7.672
163 HG3 LYS 17 HG1 LYS 17 12.422 -1.238 -8.192
164 HD2 LYS 17 HD2 LYS 17 11.610 -1.620 -10.496
165 HD3 LYS 17 HD1 LYS 17 9.926 -1.237 -10.002
166 HE2 LYS 17 HE2 LYS 17 10.889 0.733 -11.126
167 HE3 LYS 17 HE1 LYS 17 10.723 1.118 -9.362
168 HZ1 LYS 17 HZ1 LYS 17 12.964 1.349 -10.864
169 HZ2 LYS 17 HZ2 LYS 17 13.230 -0.107 -10.034
170 HZ3 LYS 17 HZ3 LYS 17 12.894 1.318 -9.163
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 1.551 3.522 8.304
2 H2 GLU 1 HT2 GLU 1 2.042 2.052 7.611
3 H3 GLU 1 HT3 GLU 1 3.201 3.124 8.239
4 HA GLU 1 HA GLU 1 1.718 2.801 10.380
5 HB2 GLU 1 HB2 GLU 1 0.279 1.134 9.060
6 HB3 GLU 1 HB1 GLU 1 1.722 0.064 8.984
7 HG2 GLU 1 HG2 GLU 1 1.774 -0.092 11.484
8 HG3 GLU 1 HG1 GLU 1 0.354 1.025 11.591
9 H MET 2 HN MET 2 4.125 1.132 8.283
10 HA MET 2 HA MET 2 5.646 0.490 10.692
11 HB2 MET 2 HB2 MET 2 5.320 -1.216 8.739
12 HB3 MET 2 HB1 MET 2 6.388 -0.138 7.778
13 HG2 MET 2 HG2 MET 2 8.228 -0.448 9.380
14 HG3 MET 2 HG1 MET 2 7.171 -1.406 10.467
15 HE1 MET 2 HE1 MET 2 10.169 -2.922 9.160
16 HE2 MET 2 HE2 MET 2 9.151 -4.228 9.858
17 HE3 MET 2 HE3 MET 2 9.119 -2.584 10.580
18 H ARG 3 HN ARG 3 6.735 2.293 11.426
19 HA ARG 3 HA ARG 3 7.571 4.274 9.541
20 HB2 ARG 3 HB2 ARG 3 6.996 4.944 11.910
21 HB3 ARG 3 HB1 ARG 3 8.408 3.984 12.487
22 HG2 ARG 3 HG2 ARG 3 9.985 5.434 11.326
23 HG3 ARG 3 HG1 ARG 3 8.662 6.287 10.454
24 HD2 ARG 3 HD2 ARG 3 7.835 7.255 12.621
25 HD3 ARG 3 HD1 ARG 3 9.134 6.354 13.525
26 HE ARG 3 HE ARG 3 10.465 7.821 11.501
27 HH11 ARG 3 HH11 ARG 3 8.322 8.441 14.277
28 HH12 ARG 3 HH12 ARG 3 8.982 10.000 14.637
29 HH21 ARG 3 HH21 ARG 3 11.364 9.942 11.988
30 HH22 ARG 3 HH22 ARG 3 10.743 10.869 13.311
31 H LEU 4 HN LEU 4 8.884 1.269 10.716
32 HA LEU 4 HA LEU 4 11.577 1.856 10.702
33 HB2 LEU 4 HB2 LEU 4 10.130 -0.486 10.974
34 HB3 LEU 4 HB1 LEU 4 10.811 -0.709 9.326
35 HG LEU 4 HG LEU 4 12.313 -0.282 11.959
36 HD11 LEU 4 HD11 LEU 4 12.476 -2.540 9.866
37 HD12 LEU 4 HD12 LEU 4 11.542 -2.610 11.409
38 HD13 LEU 4 HD13 LEU 4 13.340 -2.464 11.449
39 HD21 LEU 4 HD21 LEU 4 13.429 1.141 10.268
40 HD22 LEU 4 HD22 LEU 4 13.489 -0.240 9.106
41 HD23 LEU 4 HD23 LEU 4 14.446 -0.306 10.636
42 H SER 5 HN SER 5 9.264 1.439 7.974
43 HA SER 5 HA SER 5 11.422 1.504 6.068
44 HB2 SER 5 HB2 SER 5 8.370 1.809 5.729
45 HB3 SER 5 HB1 SER 5 9.547 1.819 4.353
46 HG SER 5 HG SER 5 8.526 -0.226 4.901
47 H LYS 6 HN LYS 6 12.253 3.479 7.387
48 HA LYS 6 HA LYS 6 11.123 5.864 6.119
49 HB2 LYS 6 HB2 LYS 6 10.428 6.062 8.461
50 HB3 LYS 6 HB1 LYS 6 12.044 5.477 9.009
51 HG2 LYS 6 HG2 LYS 6 11.617 8.011 9.251
52 HG3 LYS 6 HG1 LYS 6 13.128 7.543 8.402
53 HD2 LYS 6 HD2 LYS 6 11.739 7.790 6.198
54 HD3 LYS 6 HD1 LYS 6 10.522 8.636 7.206
55 HE2 LYS 6 HE2 LYS 6 11.712 10.568 6.979
56 HE3 LYS 6 HE1 LYS 6 13.112 9.799 7.828
57 H PHE 7 HN PHE 7 13.828 4.429 7.952
58 HA PHE 7 HA PHE 7 15.723 6.273 7.399
59 HB2 PHE 7 HB2 PHE 7 15.938 3.246 7.479
60 HB3 PHE 7 HB1 PHE 7 17.316 4.383 7.738
61 HD1 PHE 7 HD1 PHE 7 14.585 2.615 9.120
62 HD2 PHE 7 HD2 PHE 7 17.151 5.946 9.697
63 HE1 PHE 7 HE1 PHE 7 13.980 2.670 11.483
64 HE2 PHE 7 HE2 PHE 7 16.537 5.995 12.066
65 HZ PHE 7 HZ PHE 7 14.952 4.349 12.910
66 H PHE 8 HN PHE 8 14.669 3.481 5.255
67 HA PHE 8 HA PHE 8 16.571 4.520 3.348
68 HB2 PHE 8 HB2 PHE 8 15.552 2.539 1.882
69 HB3 PHE 8 HB1 PHE 8 16.806 2.217 3.134
70 HD1 PHE 8 HD1 PHE 8 13.263 1.908 2.256
71 HD2 PHE 8 HD2 PHE 8 16.257 1.150 5.166
72 HE1 PHE 8 HE1 PHE 8 11.773 0.338 3.387
73 HE2 PHE 8 HE2 PHE 8 14.770 -0.410 6.293
74 HZ PHE 8 HZ PHE 8 12.526 -0.830 5.410
75 H ARG 9 HN ARG 9 13.233 4.788 4.188
76 HA ARG 9 HA ARG 9 12.251 5.289 1.592
77 HB2 ARG 9 HB2 ARG 9 10.818 4.863 3.679
78 HB3 ARG 9 HB1 ARG 9 11.243 6.533 4.199
79 HG2 ARG 9 HG2 ARG 9 9.760 7.474 2.783
80 HG3 ARG 9 HG1 ARG 9 10.301 6.459 1.393
81 HD2 ARG 9 HD2 ARG 9 8.906 4.559 2.239
82 HD3 ARG 9 HD1 ARG 9 8.343 5.588 3.629
83 HE ARG 9 HE ARG 9 7.877 6.980 1.130
84 HH11 ARG 9 HH11 ARG 9 6.780 4.222 3.098
85 HH12 ARG 9 HH12 ARG 9 5.151 4.250 2.509
86 HH21 ARG 9 HH21 ARG 9 5.663 7.020 0.328
87 HH22 ARG 9 HH22 ARG 9 4.506 5.869 0.905
88 H ASN 10 HN ASN 10 13.950 7.153 4.111
89 HA ASN 10 HA ASN 10 13.501 9.713 3.117
90 HB2 ASN 10 HB2 ASN 10 16.007 8.520 4.466
91 HB3 ASN 10 HB1 ASN 10 15.788 10.276 4.148
92 HD21 ASN 10 HD21 ASN 10 12.690 9.622 4.822
93 H PHE 11 HN PHE 11 15.799 7.092 2.229
94 HA PHE 11 HA PHE 11 17.166 8.731 0.340
95 HB2 PHE 11 HB2 PHE 11 17.095 5.712 0.929
96 HB3 PHE 11 HB1 PHE 11 17.883 6.338 -0.576
97 HD1 PHE 11 HD1 PHE 11 18.340 5.581 2.851
98 HD2 PHE 11 HD2 PHE 11 19.605 8.228 -0.223
99 HE1 PHE 11 HE1 PHE 11 20.389 6.061 4.104
100 HE2 PHE 11 HE2 PHE 11 21.647 8.704 1.030
101 HZ PHE 11 HZ PHE 11 22.049 7.622 3.195
102 H ILE 12 HN ILE 12 15.155 5.719 -0.157
103 HA ILE 12 HA ILE 12 13.317 6.983 -1.788
104 HB ILE 12 HB ILE 12 15.115 7.202 -3.439
105 HG12 ILE 12 HG12 ILE 12 13.332 4.828 -4.197
106 HG13 ILE 12 HG11 ILE 12 12.742 6.525 -4.099
107 HG21 ILE 12 HG21 ILE 12 16.506 5.359 -4.132
108 HG22 ILE 12 HG22 ILE 12 15.457 4.144 -3.313
109 HG23 ILE 12 HG23 ILE 12 16.474 5.264 -2.332
110 HD11 ILE 12 HD11 ILE 12 14.311 5.197 -6.224
111 HD12 ILE 12 HD12 ILE 12 15.100 6.715 -5.653
112 HD13 ILE 12 HD13 ILE 12 13.402 6.754 -6.262
113 H LEU 13 HN LEU 13 11.576 5.594 -2.033
114 HA LEU 13 HA LEU 13 12.139 2.813 -1.295
115 HB2 LEU 13 HB2 LEU 13 10.733 4.006 0.453
116 HB3 LEU 13 HB1 LEU 13 9.551 4.421 -0.838
117 HG LEU 13 HG LEU 13 9.204 1.975 -1.284
118 HD11 LEU 13 HD11 LEU 13 11.398 1.735 0.765
119 HD12 LEU 13 HD12 LEU 13 10.953 0.649 -0.607
120 HD13 LEU 13 HD13 LEU 13 10.027 0.575 0.940
121 HD21 LEU 13 HD21 LEU 13 8.680 2.431 1.694
122 HD22 LEU 13 HD22 LEU 13 7.627 1.669 0.442
123 HD23 LEU 13 HD23 LEU 13 7.868 3.458 0.452
124 H GLN 14 HN GLN 14 11.879 1.488 -3.052
125 HA GLN 14 HA GLN 14 9.794 2.267 -4.934
126 HB2 GLN 14 HB2 GLN 14 12.164 2.837 -5.813
127 HB3 GLN 14 HB1 GLN 14 12.488 1.067 -5.765
128 HG2 GLN 14 HG2 GLN 14 10.642 0.641 -7.364
129 HG3 GLN 14 HG1 GLN 14 10.207 2.396 -7.364
130 HE21 GLN 14 HE21 GLN 14 10.726 1.604 -9.819
131 HE22 GLN 14 HE22 GLN 14 12.321 2.009 -10.357
132 H ARG 15 HN ARG 15 11.894 -0.158 -3.401
133 HA ARG 15 HA ARG 15 11.596 -2.288 -2.971
134 HB2 ARG 15 HB2 ARG 15 8.664 -1.934 -3.822
135 HB3 ARG 15 HB1 ARG 15 9.341 -3.359 -2.963
136 HG2 ARG 15 HG2 ARG 15 9.325 -0.492 -1.839
137 HG3 ARG 15 HG1 ARG 15 8.086 -1.741 -1.474
138 HD2 ARG 15 HD2 ARG 15 11.113 -2.079 -0.887
139 HD3 ARG 15 HD1 ARG 15 9.864 -1.566 0.332
140 HE ARG 15 HE ARG 15 8.901 -3.962 -0.858
141 HH11 ARG 15 HH11 ARG 15 11.694 -2.810 1.029
142 HH12 ARG 15 HH12 ARG 15 11.976 -4.321 1.825
143 HH21 ARG 15 HH21 ARG 15 9.283 -6.017 0.225
144 HH22 ARG 15 HH22 ARG 15 10.581 -6.176 1.359
145 H LYS 16 HN LYS 16 12.111 -1.126 -5.800
146 HA LYS 16 HA LYS 16 11.133 -3.376 -7.349
147 HB2 LYS 16 HB2 LYS 16 11.130 -1.103 -8.420
148 HB3 LYS 16 HB1 LYS 16 12.901 -0.983 -8.135
149 HG2 LYS 16 HG2 LYS 16 12.524 -1.593 -10.460
150 HG3 LYS 16 HG1 LYS 16 13.248 -2.998 -9.608
151 HD2 LYS 16 HD2 LYS 16 11.023 -4.078 -9.425
152 HD3 LYS 16 HD1 LYS 16 10.236 -2.640 -10.164
153 HE2 LYS 16 HE2 LYS 16 11.503 -3.039 -12.299
154 HE3 LYS 16 HE1 LYS 16 12.299 -4.486 -11.550
155 HZ1 LYS 16 HZ1 LYS 16 9.475 -4.572 -11.239
156 HZ2 LYS 16 HZ2 LYS 16 10.530 -5.679 -11.978
157 HZ3 LYS 16 HZ3 LYS 16 9.897 -4.383 -12.873
158 H LYS 17 HN LYS 17 12.243 -5.207 -6.628
159 HA LYS 17 HA LYS 17 15.113 -4.954 -6.325
160 HB2 LYS 17 HB2 LYS 17 13.800 -6.353 -4.678
161 HB3 LYS 17 HB1 LYS 17 13.270 -7.401 -6.038
162 HG2 LYS 17 HG2 LYS 17 15.638 -8.033 -6.495
163 HG3 LYS 17 HG1 LYS 17 16.189 -6.963 -5.159
164 HD2 LYS 17 HD2 LYS 17 14.884 -8.335 -3.522
165 HD3 LYS 17 HD1 LYS 17 14.324 -9.399 -4.858
166 HE2 LYS 17 HE2 LYS 17 16.696 -10.082 -5.322
167 HE3 LYS 17 HE1 LYS 17 17.266 -8.998 -3.985
168 HZ1 LYS 17 HZ1 LYS 17 16.758 -10.532 -2.527
169 HZ2 LYS 17 HZ2 LYS 17 16.443 -11.611 -3.800
170 HZ3 LYS 17 HZ3 LYS 17 15.176 -10.714 -3.113
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 1.124 -0.519 6.905
2 H2 GLU 1 HT2 GLU 1 1.720 -1.067 8.398
3 H3 GLU 1 HT3 GLU 1 2.738 -1.032 7.038
4 HA GLU 1 HA GLU 1 2.825 1.271 6.998
5 HB2 GLU 1 HB2 GLU 1 0.372 1.610 7.488
6 HB3 GLU 1 HB1 GLU 1 0.692 1.207 9.212
7 HG2 GLU 1 HG2 GLU 1 2.181 3.208 9.436
8 HG3 GLU 1 HG1 GLU 1 1.924 3.608 7.690
9 H MET 2 HN MET 2 4.972 0.920 7.715
10 HA MET 2 HA MET 2 5.216 1.023 10.634
11 HB2 MET 2 HB2 MET 2 6.984 -0.561 8.674
12 HB3 MET 2 HB1 MET 2 7.354 -0.314 10.417
13 HG2 MET 2 HG2 MET 2 5.264 -1.513 11.047
14 HG3 MET 2 HG1 MET 2 4.867 -1.747 9.315
15 HE1 MET 2 HE1 MET 2 4.478 -4.195 9.730
16 HE2 MET 2 HE2 MET 2 4.897 -3.998 11.468
17 HE3 MET 2 HE3 MET 2 5.628 -5.334 10.513
18 H ARG 3 HN ARG 3 6.893 2.414 11.389
19 HA ARG 3 HA ARG 3 7.659 4.343 9.376
20 HB2 ARG 3 HB2 ARG 3 6.981 5.027 11.783
21 HB3 ARG 3 HB1 ARG 3 8.546 4.308 12.313
22 HG2 ARG 3 HG2 ARG 3 9.822 5.898 10.948
23 HG3 ARG 3 HG1 ARG 3 8.322 6.527 10.183
24 HD2 ARG 3 HD2 ARG 3 8.968 6.738 13.211
25 HD3 ARG 3 HD1 ARG 3 9.202 8.069 11.991
26 HE ARG 3 HE ARG 3 6.508 7.158 11.743
27 HH11 ARG 3 HH11 ARG 3 8.671 8.672 14.135
28 HH12 ARG 3 HH12 ARG 3 7.418 9.558 14.937
29 HH21 ARG 3 HH21 ARG 3 4.803 8.363 12.833
30 HH22 ARG 3 HH22 ARG 3 5.180 9.377 14.184
31 H LEU 4 HN LEU 4 8.885 1.389 10.598
32 HA LEU 4 HA LEU 4 11.593 1.944 10.738
33 HB2 LEU 4 HB2 LEU 4 10.132 -0.365 11.035
34 HB3 LEU 4 HB1 LEU 4 10.785 -0.637 9.382
35 HG LEU 4 HG LEU 4 12.226 -1.664 11.087
36 HD11 LEU 4 HD11 LEU 4 14.343 -0.933 10.257
37 HD12 LEU 4 HD12 LEU 4 13.775 0.765 10.027
38 HD13 LEU 4 HD13 LEU 4 13.179 -0.541 8.934
39 HD21 LEU 4 HD21 LEU 4 13.327 -0.489 12.866
40 HD22 LEU 4 HD22 LEU 4 11.612 0.071 12.916
41 HD23 LEU 4 HD23 LEU 4 12.884 1.127 12.195
42 H SER 5 HN SER 5 9.400 1.464 7.925
43 HA SER 5 HA SER 5 11.636 1.503 6.115
44 HB2 SER 5 HB2 SER 5 8.603 1.784 5.623
45 HB3 SER 5 HB1 SER 5 9.846 1.735 4.310
46 HG SER 5 HG SER 5 8.864 -0.286 4.788
47 H LYS 6 HN LYS 6 12.385 3.523 7.416
48 HA LYS 6 HA LYS 6 11.267 5.861 6.045
49 HB2 LYS 6 HB2 LYS 6 10.554 6.117 8.376
50 HB3 LYS 6 HB1 LYS 6 12.167 5.549 8.952
51 HG2 LYS 6 HG2 LYS 6 11.729 8.085 9.137
52 HG3 LYS 6 HG1 LYS 6 13.253 7.602 8.316
53 HD2 LYS 6 HD2 LYS 6 11.904 7.810 6.089
54 HD3 LYS 6 HD1 LYS 6 10.655 8.655 7.060
55 HE2 LYS 6 HE2 LYS 6 11.828 10.600 6.837
56 HE3 LYS 6 HE1 LYS 6 13.224 9.857 7.715
57 H PHE 7 HN PHE 7 13.973 4.467 7.911
58 HA PHE 7 HA PHE 7 15.871 6.301 7.365
59 HB2 PHE 7 HB2 PHE 7 16.093 3.273 7.405
60 HB3 PHE 7 HB1 PHE 7 17.462 4.412 7.692
61 HD1 PHE 7 HD1 PHE 7 14.805 2.547 9.042
62 HD2 PHE 7 HD2 PHE 7 17.208 5.991 9.662
63 HE1 PHE 7 HE1 PHE 7 14.196 2.544 11.399
64 HE2 PHE 7 HE2 PHE 7 16.590 5.981 12.030
65 HZ PHE 7 HZ PHE 7 15.085 4.254 12.854
66 H PHE 8 HN PHE 8 14.837 3.513 5.203
67 HA PHE 8 HA PHE 8 16.739 4.569 3.305
68 HB2 PHE 8 HB2 PHE 8 15.775 2.581 1.832
69 HB3 PHE 8 HB1 PHE 8 16.990 2.258 3.123
70 HD1 PHE 8 HD1 PHE 8 13.474 1.948 2.136
71 HD2 PHE 8 HD2 PHE 8 16.382 1.187 5.133
72 HE1 PHE 8 HE1 PHE 8 11.952 0.377 3.223
73 HE2 PHE 8 HE2 PHE 8 14.864 -0.376 6.213
74 HZ PHE 8 HZ PHE 8 12.646 -0.796 5.263
75 H ARG 9 HN ARG 9 13.431 4.896 4.149
76 HA ARG 9 HA ARG 9 12.448 5.338 1.530
77 HB2 ARG 9 HB2 ARG 9 11.010 4.888 3.621
78 HB3 ARG 9 HB1 ARG 9 11.399 6.569 4.125
79 HG2 ARG 9 HG2 ARG 9 10.350 6.204 1.317
80 HG3 ARG 9 HG1 ARG 9 9.194 5.904 2.670
81 HD2 ARG 9 HD2 ARG 9 9.664 8.172 3.601
82 HD3 ARG 9 HD1 ARG 9 10.872 8.466 2.280
83 HE ARG 9 HE ARG 9 7.901 8.394 1.985
84 HH11 ARG 9 HH11 ARG 9 11.145 8.467 0.493
85 HH12 ARG 9 HH12 ARG 9 10.589 9.067 -1.037
86 HH21 ARG 9 HH21 ARG 9 7.158 9.205 -0.095
87 HH22 ARG 9 HH22 ARG 9 8.288 9.491 -1.375
88 H ASN 10 HN ASN 10 14.119 7.209 4.044
89 HA ASN 10 HA ASN 10 13.667 9.756 3.021
90 HB2 ASN 10 HB2 ASN 10 16.171 8.585 4.394
91 HB3 ASN 10 HB1 ASN 10 15.945 10.337 4.060
92 HD21 ASN 10 HD21 ASN 10 12.845 9.635 4.707
93 H PHE 11 HN PHE 11 15.964 7.125 2.159
94 HA PHE 11 HA PHE 11 17.325 8.748 0.248
95 HB2 PHE 11 HB2 PHE 11 17.262 5.734 0.864
96 HB3 PHE 11 HB1 PHE 11 18.062 6.357 -0.637
97 HD1 PHE 11 HD1 PHE 11 18.483 5.627 2.804
98 HD2 PHE 11 HD2 PHE 11 19.779 8.247 -0.280
99 HE1 PHE 11 HE1 PHE 11 20.518 6.118 4.074
100 HE2 PHE 11 HE2 PHE 11 21.808 8.736 0.989
101 HZ PHE 11 HZ PHE 11 22.187 7.673 3.169
102 H ILE 12 HN ILE 12 15.195 5.785 -0.123
103 HA ILE 12 HA ILE 12 13.448 7.043 -1.856
104 HB ILE 12 HB ILE 12 15.312 7.066 -3.472
105 HG12 ILE 12 HG12 ILE 12 13.359 4.810 -4.162
106 HG13 ILE 12 HG11 ILE 12 12.913 6.554 -4.164
107 HG21 ILE 12 HG21 ILE 12 16.598 5.124 -4.021
108 HG22 ILE 12 HG22 ILE 12 15.412 4.002 -3.259
109 HG23 ILE 12 HG23 ILE 12 16.455 5.047 -2.226
110 HD11 ILE 12 HD11 ILE 12 13.556 6.443 -6.370
111 HD12 ILE 12 HD12 ILE 12 14.598 4.994 -6.103
112 HD13 ILE 12 HD13 ILE 12 15.214 6.637 -5.683
113 H LEU 13 HN LEU 13 11.652 5.723 -2.109
114 HA LEU 13 HA LEU 13 12.037 2.971 -1.183
115 HB2 LEU 13 HB2 LEU 13 10.769 4.339 0.520
116 HB3 LEU 13 HB1 LEU 13 9.597 4.799 -0.763
117 HG LEU 13 HG LEU 13 8.999 2.390 -1.069
118 HD11 LEU 13 HD11 LEU 13 9.773 0.986 1.153
119 HD12 LEU 13 HD12 LEU 13 11.230 2.027 0.936
120 HD13 LEU 13 HD13 LEU 13 10.680 0.954 -0.407
121 HD21 LEU 13 HD21 LEU 13 7.603 3.791 0.394
122 HD22 LEU 13 HD22 LEU 13 8.700 3.493 1.795
123 HD23 LEU 13 HD23 LEU 13 7.735 2.135 1.099
124 H GLN 14 HN GLN 14 11.632 1.551 -2.820
125 HA GLN 14 HA GLN 14 9.548 2.325 -4.716
126 HB2 GLN 14 HB2 GLN 14 12.353 1.281 -5.380
127 HB3 GLN 14 HB1 GLN 14 10.973 1.110 -6.521
128 HG2 GLN 14 HG2 GLN 14 11.938 3.824 -5.398
129 HG3 GLN 14 HG1 GLN 14 12.473 3.127 -6.980
130 HE21 GLN 14 HE21 GLN 14 10.258 5.239 -5.601
131 HE22 GLN 14 HE22 GLN 14 9.000 5.165 -6.787
132 H ARG 15 HN ARG 15 11.582 -0.099 -3.091
133 HA ARG 15 HA ARG 15 11.222 -2.197 -2.564
134 HB2 ARG 15 HB2 ARG 15 8.272 -1.750 -3.307
135 HB3 ARG 15 HB1 ARG 15 8.924 -3.159 -2.402
136 HG2 ARG 15 HG2 ARG 15 9.057 -0.236 -1.439
137 HG3 ARG 15 HG1 ARG 15 7.814 -1.430 -0.937
138 HD2 ARG 15 HD2 ARG 15 10.860 -1.804 -0.493
139 HD3 ARG 15 HD1 ARG 15 9.686 -1.206 0.760
140 HE ARG 15 HE ARG 15 8.616 -3.636 -0.245
141 HH11 ARG 15 HH11 ARG 15 11.544 -2.457 1.405
142 HH12 ARG 15 HH12 ARG 15 11.851 -3.937 2.250
143 HH21 ARG 15 HH21 ARG 15 9.032 -5.649 0.904
144 HH22 ARG 15 HH22 ARG 15 10.397 -5.784 1.959
145 H LYS 16 HN LYS 16 11.688 -1.179 -5.430
146 HA LYS 16 HA LYS 16 10.395 -2.938 -7.161
147 HB2 LYS 16 HB2 LYS 16 11.661 -0.911 -7.945
148 HB3 LYS 16 HB1 LYS 16 13.189 -1.682 -7.400
149 HG2 LYS 16 HG2 LYS 16 12.992 -1.952 -9.810
150 HG3 LYS 16 HG1 LYS 16 12.794 -3.560 -9.035
151 HD2 LYS 16 HD2 LYS 16 10.335 -3.423 -9.296
152 HD3 LYS 16 HD1 LYS 16 10.471 -1.759 -9.962
153 HE2 LYS 16 HE2 LYS 16 11.755 -2.646 -11.931
154 HE3 LYS 16 HE1 LYS 16 11.625 -4.324 -11.254
155 HZ1 LYS 16 HZ1 LYS 16 9.152 -2.801 -11.534
156 HZ2 LYS 16 HZ2 LYS 16 9.473 -4.447 -11.792
157 HZ3 LYS 16 HZ3 LYS 16 9.913 -3.303 -12.966
158 H LYS 17 HN LYS 17 13.478 -3.159 -5.307
159 HA LYS 17 HA LYS 17 13.702 -5.917 -6.244
160 HB2 LYS 17 HB2 LYS 17 15.774 -4.480 -6.414
161 HB3 LYS 17 HB1 LYS 17 15.678 -4.182 -4.643
162 HG2 LYS 17 HG2 LYS 17 15.975 -6.613 -4.198
163 HG3 LYS 17 HG1 LYS 17 16.028 -6.942 -5.965
164 HD2 LYS 17 HD2 LYS 17 18.081 -5.546 -6.180
165 HD3 LYS 17 HD1 LYS 17 18.011 -5.146 -4.430
166 HE2 LYS 17 HE2 LYS 17 19.679 -6.946 -4.826
167 HE3 LYS 17 HE1 LYS 17 18.280 -7.619 -3.891
168 HZ1 LYS 17 HZ1 LYS 17 19.314 -8.616 -6.180
169 HZ2 LYS 17 HZ2 LYS 17 17.947 -7.778 -6.741
170 HZ3 LYS 17 HZ3 LYS 17 17.781 -8.967 -5.539
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 3.902 0.227 5.137
2 H2 GLU 1 HT2 GLU 1 3.253 1.204 6.367
3 H3 GLU 1 HT3 GLU 1 2.217 0.383 5.299
4 HA GLU 1 HA GLU 1 2.065 -1.075 6.939
5 HB2 GLU 1 HB2 GLU 1 3.419 -2.157 5.034
6 HB3 GLU 1 HB1 GLU 1 4.893 -1.840 6.014
7 HG2 GLU 1 HG2 GLU 1 4.024 -3.287 7.856
8 HG3 GLU 1 HG1 GLU 1 2.495 -3.570 6.930
9 H MET 2 HN MET 2 5.255 0.603 7.077
10 HA MET 2 HA MET 2 4.922 0.786 9.915
11 HB2 MET 2 HB2 MET 2 7.154 -0.157 10.498
12 HB3 MET 2 HB1 MET 2 6.095 -1.423 9.788
13 HG2 MET 2 HG2 MET 2 7.193 -1.034 7.545
14 HG3 MET 2 HG1 MET 2 8.299 0.142 8.319
15 HE1 MET 2 HE1 MET 2 7.000 -3.250 7.786
16 HE2 MET 2 HE2 MET 2 6.929 -3.552 9.557
17 HE3 MET 2 HE3 MET 2 8.120 -4.436 8.542
18 H ARG 3 HN ARG 3 6.484 2.375 10.830
19 HA ARG 3 HA ARG 3 7.171 4.262 8.732
20 HB2 ARG 3 HB2 ARG 3 6.052 5.128 10.838
21 HB3 ARG 3 HB1 ARG 3 7.482 4.556 11.776
22 HG2 ARG 3 HG2 ARG 3 8.964 6.128 10.669
23 HG3 ARG 3 HG1 ARG 3 7.719 6.557 9.445
24 HD2 ARG 3 HD2 ARG 3 6.315 7.645 11.223
25 HD3 ARG 3 HD1 ARG 3 7.521 7.148 12.490
26 HE ARG 3 HE ARG 3 8.983 8.860 11.715
27 HH11 ARG 3 HH11 ARG 3 6.275 8.343 9.447
28 HH12 ARG 3 HH12 ARG 3 6.621 9.738 8.481
29 HH21 ARG 3 HH21 ARG 3 9.446 10.751 10.399
30 HH22 ARG 3 HH22 ARG 3 8.453 11.127 9.031
31 H LEU 4 HN LEU 4 8.666 1.661 10.405
32 HA LEU 4 HA LEU 4 11.176 2.762 10.836
33 HB2 LEU 4 HB2 LEU 4 10.607 0.472 11.664
34 HB3 LEU 4 HB1 LEU 4 10.521 -0.109 9.961
35 HG LEU 4 HG LEU 4 12.898 0.442 9.606
36 HD11 LEU 4 HD11 LEU 4 12.771 1.468 12.504
37 HD12 LEU 4 HD12 LEU 4 13.253 2.364 11.011
38 HD13 LEU 4 HD13 LEU 4 14.320 1.061 11.670
39 HD21 LEU 4 HD21 LEU 4 13.641 -1.104 11.860
40 HD22 LEU 4 HD22 LEU 4 13.148 -1.718 10.236
41 HD23 LEU 4 HD23 LEU 4 11.923 -1.563 11.552
42 H SER 5 HN SER 5 9.637 1.435 7.846
43 HA SER 5 HA SER 5 12.073 1.770 6.382
44 HB2 SER 5 HB2 SER 5 9.162 1.411 5.425
45 HB3 SER 5 HB1 SER 5 10.599 1.453 4.326
46 HG SER 5 HG SER 5 9.685 -0.640 5.224
47 H LYS 6 HN LYS 6 12.184 4.033 7.535
48 HA LYS 6 HA LYS 6 10.962 5.951 5.679
49 HB2 LYS 6 HB2 LYS 6 9.845 6.252 7.889
50 HB3 LYS 6 HB1 LYS 6 11.464 6.256 8.692
51 HG2 LYS 6 HG2 LYS 6 11.231 8.251 6.480
52 HG3 LYS 6 HG1 LYS 6 10.040 8.525 7.793
53 HD2 LYS 6 HD2 LYS 6 11.748 8.873 9.423
54 HD3 LYS 6 HD1 LYS 6 13.009 8.084 8.417
55 HE2 LYS 6 HE2 LYS 6 11.619 10.618 7.380
56 HE3 LYS 6 HE1 LYS 6 12.932 10.752 8.613
57 H PHE 7 HN PHE 7 13.462 5.305 8.142
58 HA PHE 7 HA PHE 7 15.044 7.448 7.636
59 HB2 PHE 7 HB2 PHE 7 15.810 4.587 8.320
60 HB3 PHE 7 HB1 PHE 7 16.848 6.033 8.613
61 HD1 PHE 7 HD1 PHE 7 14.263 3.914 9.768
62 HD2 PHE 7 HD2 PHE 7 15.961 7.784 10.173
63 HE1 PHE 7 HE1 PHE 7 13.138 4.183 11.915
64 HE2 PHE 7 HE2 PHE 7 14.834 8.040 12.329
65 HZ PHE 7 HZ PHE 7 13.433 6.227 13.153
66 H PHE 8 HN PHE 8 14.961 4.251 5.856
67 HA PHE 8 HA PHE 8 17.037 5.369 4.200
68 HB2 PHE 8 HB2 PHE 8 16.568 3.047 2.899
69 HB3 PHE 8 HB1 PHE 8 17.676 3.157 4.314
70 HD1 PHE 8 HD1 PHE 8 14.436 1.993 3.094
71 HD2 PHE 8 HD2 PHE 8 17.008 2.356 6.452
72 HE1 PHE 8 HE1 PHE 8 13.105 0.337 4.300
73 HE2 PHE 8 HE2 PHE 8 15.680 0.708 7.651
74 HZ PHE 8 HZ PHE 8 13.725 -0.314 6.582
75 H ARG 9 HN ARG 9 13.590 5.148 4.340
76 HA ARG 9 HA ARG 9 13.157 5.182 1.539
77 HB2 ARG 9 HB2 ARG 9 11.406 4.632 3.373
78 HB3 ARG 9 HB1 ARG 9 11.346 6.403 3.680
79 HG2 ARG 9 HG2 ARG 9 11.040 5.488 0.814
80 HG3 ARG 9 HG1 ARG 9 9.683 5.133 1.953
81 HD2 ARG 9 HD2 ARG 9 9.648 7.598 2.596
82 HD3 ARG 9 HD1 ARG 9 10.915 7.891 1.331
83 HE ARG 9 HE ARG 9 9.282 7.522 -0.362
84 HH11 ARG 9 HH11 ARG 9 8.037 6.707 2.879
85 HH12 ARG 9 HH12 ARG 9 6.383 6.585 2.379
86 HH21 ARG 9 HH21 ARG 9 7.036 7.352 -1.036
87 HH22 ARG 9 HH22 ARG 9 5.806 6.956 0.115
88 H ASN 10 HN ASN 10 13.740 7.547 4.136
89 HA ASN 10 HA ASN 10 13.182 9.851 2.696
90 HB2 ASN 10 HB2 ASN 10 15.245 9.294 4.916
91 HB3 ASN 10 HB1 ASN 10 14.919 10.943 4.273
92 HD21 ASN 10 HD21 ASN 10 14.512 9.700 7.048
93 H PHE 11 HN PHE 11 16.047 7.676 2.826
94 HA PHE 11 HA PHE 11 17.610 9.394 1.178
95 HB2 PHE 11 HB2 PHE 11 17.850 6.506 2.157
96 HB3 PHE 11 HB1 PHE 11 18.798 6.998 0.697
97 HD1 PHE 11 HD1 PHE 11 18.674 6.981 4.261
98 HD2 PHE 11 HD2 PHE 11 20.251 9.071 0.912
99 HE1 PHE 11 HE1 PHE 11 20.405 7.966 5.688
100 HE2 PHE 11 HE2 PHE 11 21.974 10.056 2.339
101 HZ PHE 11 HZ PHE 11 22.059 9.506 4.730
102 H ILE 12 HN ILE 12 16.060 6.139 0.565
103 HA ILE 12 HA ILE 12 14.604 6.924 -1.604
104 HB ILE 12 HB ILE 12 16.727 7.350 -2.794
105 HG12 ILE 12 HG12 ILE 12 15.503 4.707 -3.740
106 HG13 ILE 12 HG11 ILE 12 14.694 6.305 -3.926
107 HG21 ILE 12 HG21 ILE 12 18.516 5.804 -2.885
108 HG22 ILE 12 HG22 ILE 12 17.464 4.396 -2.484
109 HG23 ILE 12 HG23 ILE 12 17.926 5.570 -1.197
110 HD11 ILE 12 HD11 ILE 12 17.358 6.693 -4.881
111 HD12 ILE 12 HD12 ILE 12 15.845 6.587 -5.859
112 HD13 ILE 12 HD13 ILE 12 16.825 5.104 -5.548
113 H LEU 13 HN LEU 13 13.232 5.232 -2.132
114 HA LEU 13 HA LEU 13 14.067 2.609 -1.160
115 HB2 LEU 13 HB2 LEU 13 12.431 3.634 0.491
116 HB3 LEU 13 HB1 LEU 13 11.270 3.854 -0.860
117 HG LEU 13 HG LEU 13 11.252 1.380 -1.234
118 HD11 LEU 13 HD11 LEU 13 13.060 0.226 -0.449
119 HD12 LEU 13 HD12 LEU 13 12.196 0.231 1.136
120 HD13 LEU 13 HD13 LEU 13 13.449 1.482 0.791
121 HD21 LEU 13 HD21 LEU 13 10.529 1.431 1.652
122 HD22 LEU 13 HD22 LEU 13 9.488 1.213 0.194
123 HD23 LEU 13 HD23 LEU 13 9.927 2.874 0.749
124 H GLN 14 HN GLN 14 13.962 1.140 -2.824
125 HA GLN 14 HA GLN 14 11.893 1.561 -4.812
126 HB2 GLN 14 HB2 GLN 14 14.896 1.357 -5.440
127 HB3 GLN 14 HB1 GLN 14 13.618 0.977 -6.649
128 HG2 GLN 14 HG2 GLN 14 12.724 3.296 -6.480
129 HG3 GLN 14 HG1 GLN 14 13.962 3.694 -5.224
130 HE21 GLN 14 HE21 GLN 14 13.332 4.182 -8.414
131 HE22 GLN 14 HE22 GLN 14 14.932 4.189 -9.072
132 H ARG 15 HN ARG 15 11.244 -0.211 -3.230
133 HA ARG 15 HA ARG 15 12.775 -2.546 -3.190
134 HB2 ARG 15 HB2 ARG 15 9.770 -2.132 -2.724
135 HB3 ARG 15 HB1 ARG 15 10.607 -3.704 -2.467
136 HG2 ARG 15 HG2 ARG 15 11.340 -1.083 -1.028
137 HG3 ARG 15 HG1 ARG 15 10.259 -2.351 -0.354
138 HD2 ARG 15 HD2 ARG 15 12.173 -4.025 -0.523
139 HD3 ARG 15 HD1 ARG 15 13.256 -2.671 -1.079
140 HE ARG 15 HE ARG 15 11.938 -1.874 1.358
141 HH11 ARG 15 HH11 ARG 15 14.340 -4.178 0.088
142 HH12 ARG 15 HH12 ARG 15 15.269 -4.253 1.549
143 HH21 ARG 15 HH21 ARG 15 13.202 -1.976 3.345
144 HH22 ARG 15 HH22 ARG 15 14.611 -2.979 3.430
145 H LYS 16 HN LYS 16 10.137 -1.338 -5.297
146 HA LYS 16 HA LYS 16 9.324 -2.081 -7.221
147 HB2 LYS 16 HB2 LYS 16 12.004 -3.555 -7.520
148 HB3 LYS 16 HB1 LYS 16 10.813 -3.277 -8.837
149 HG2 LYS 16 HG2 LYS 16 12.259 -1.052 -7.274
150 HG3 LYS 16 HG1 LYS 16 12.761 -1.678 -8.882
151 HD2 LYS 16 HD2 LYS 16 10.518 -1.002 -9.817
152 HD3 LYS 16 HD1 LYS 16 10.072 -0.323 -8.214
153 HE2 LYS 16 HE2 LYS 16 11.980 1.307 -8.368
154 HE3 LYS 16 HE1 LYS 16 12.426 0.622 -9.987
155 HZ1 LYS 16 HZ1 LYS 16 9.878 1.128 -10.390
156 HZ2 LYS 16 HZ2 LYS 16 11.099 2.285 -10.628
157 HZ3 LYS 16 HZ3 LYS 16 10.174 2.306 -9.204
158 H LYS 17 HN LYS 17 8.565 -3.525 -4.896
159 HA LYS 17 HA LYS 17 7.560 -5.397 -4.308
160 HB2 LYS 17 HB2 LYS 17 6.463 -5.140 -6.635
161 HB3 LYS 17 HB1 LYS 17 7.691 -6.306 -7.238
162 HG2 LYS 17 HG2 LYS 17 6.886 -8.023 -5.633
163 HG3 LYS 17 HG1 LYS 17 5.693 -6.856 -4.965
164 HD2 LYS 17 HD2 LYS 17 4.586 -6.715 -7.214
165 HD3 LYS 17 HD1 LYS 17 5.774 -7.896 -7.868
166 HE2 LYS 17 HE2 LYS 17 4.947 -9.636 -6.259
167 HE3 LYS 17 HE1 LYS 17 3.761 -8.444 -5.580
168 HZ1 LYS 17 HZ1 LYS 17 3.872 -9.237 -8.443
169 HZ2 LYS 17 HZ2 LYS 17 2.670 -8.336 -7.651
170 HZ3 LYS 17 HZ3 LYS 17 2.881 -9.980 -7.282
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 3.918 -1.139 6.984
2 H2 GLU 1 HT2 GLU 1 3.156 -0.428 5.642
3 H3 GLU 1 HT3 GLU 1 2.270 -1.429 6.691
4 HA GLU 1 HA GLU 1 2.809 1.340 6.852
5 HB2 GLU 1 HB2 GLU 1 1.055 -0.646 8.402
6 HB3 GLU 1 HB1 GLU 1 1.015 1.128 8.704
7 HG2 GLU 1 HG2 GLU 1 0.262 1.569 6.384
8 HG3 GLU 1 HG1 GLU 1 0.428 -0.181 5.963
9 H MET 2 HN MET 2 5.268 0.753 7.517
10 HA MET 2 HA MET 2 5.256 0.938 10.442
11 HB2 MET 2 HB2 MET 2 7.282 -0.583 8.694
12 HB3 MET 2 HB1 MET 2 7.488 -0.257 10.451
13 HG2 MET 2 HG2 MET 2 5.433 -1.571 10.950
14 HG3 MET 2 HG1 MET 2 5.200 -1.889 9.202
15 HE1 MET 2 HE1 MET 2 4.937 -4.351 9.701
16 HE2 MET 2 HE2 MET 2 5.198 -4.045 11.452
17 HE3 MET 2 HE3 MET 2 6.092 -5.370 10.630
18 H ARG 3 HN ARG 3 6.806 2.429 11.293
19 HA ARG 3 HA ARG 3 7.576 4.386 9.322
20 HB2 ARG 3 HB2 ARG 3 6.769 5.143 11.608
21 HB3 ARG 3 HB1 ARG 3 8.212 4.340 12.331
22 HG2 ARG 3 HG2 ARG 3 9.738 5.853 11.179
23 HG3 ARG 3 HG1 ARG 3 8.407 6.546 10.189
24 HD2 ARG 3 HD2 ARG 3 9.008 8.112 12.041
25 HD3 ARG 3 HD1 ARG 3 7.345 7.444 12.342
26 HE ARG 3 HE ARG 3 8.206 6.237 14.210
27 HH11 ARG 3 HH11 ARG 3 10.827 7.635 12.232
28 HH12 ARG 3 HH12 ARG 3 12.077 7.308 13.385
29 HH21 ARG 3 HH21 ARG 3 9.907 5.796 15.771
30 HH22 ARG 3 HH22 ARG 3 11.544 6.244 15.430
31 H LEU 4 HN LEU 4 8.930 1.518 10.666
32 HA LEU 4 HA LEU 4 11.588 2.298 10.844
33 HB2 LEU 4 HB2 LEU 4 10.813 0.043 11.625
34 HB3 LEU 4 HB1 LEU 4 10.493 -0.421 9.914
35 HG LEU 4 HG LEU 4 12.865 -0.184 9.339
36 HD11 LEU 4 HD11 LEU 4 14.559 0.199 11.258
37 HD12 LEU 4 HD12 LEU 4 13.165 0.791 12.242
38 HD13 LEU 4 HD13 LEU 4 13.615 1.641 10.714
39 HD21 LEU 4 HD21 LEU 4 12.076 -2.382 10.233
40 HD22 LEU 4 HD22 LEU 4 12.518 -1.865 11.904
41 HD23 LEU 4 HD23 LEU 4 13.803 -2.072 10.654
42 H SER 5 HN SER 5 9.554 1.362 8.005
43 HA SER 5 HA SER 5 11.833 1.487 6.270
44 HB2 SER 5 HB2 SER 5 8.810 1.503 5.662
45 HB3 SER 5 HB1 SER 5 10.104 1.439 4.399
46 HG SER 5 HG SER 5 9.329 -0.607 4.927
47 H LYS 6 HN LYS 6 12.181 3.694 7.635
48 HA LYS 6 HA LYS 6 11.010 5.840 5.990
49 HB2 LYS 6 HB2 LYS 6 10.304 6.158 8.346
50 HB3 LYS 6 HB1 LYS 6 11.994 5.830 8.900
51 HG2 LYS 6 HG2 LYS 6 11.855 8.036 6.904
52 HG3 LYS 6 HG1 LYS 6 10.848 8.371 8.349
53 HD2 LYS 6 HD2 LYS 6 12.739 8.236 9.826
54 HD3 LYS 6 HD1 LYS 6 13.764 7.440 8.585
55 HE2 LYS 6 HE2 LYS 6 12.642 10.255 8.074
56 HE3 LYS 6 HE1 LYS 6 14.110 10.029 9.103
57 H PHE 7 HN PHE 7 13.787 4.678 7.903
58 HA PHE 7 HA PHE 7 15.525 6.664 7.267
59 HB2 PHE 7 HB2 PHE 7 16.006 3.682 7.619
60 HB3 PHE 7 HB1 PHE 7 17.272 4.958 7.791
61 HD1 PHE 7 HD1 PHE 7 14.665 3.098 9.295
62 HD2 PHE 7 HD2 PHE 7 16.926 6.679 9.583
63 HE1 PHE 7 HE1 PHE 7 13.981 3.344 11.621
64 HE2 PHE 7 HE2 PHE 7 16.240 6.909 11.922
65 HZ PHE 7 HZ PHE 7 14.765 5.229 12.889
66 H PHE 8 HN PHE 8 14.650 3.717 5.285
67 HA PHE 8 HA PHE 8 16.621 4.637 3.393
68 HB2 PHE 8 HB2 PHE 8 15.021 2.604 2.149
69 HB3 PHE 8 HB1 PHE 8 16.727 2.481 2.714
70 HD1 PHE 8 HD1 PHE 8 13.355 1.418 3.184
71 HD2 PHE 8 HD2 PHE 8 17.105 1.868 5.129
72 HE1 PHE 8 HE1 PHE 8 12.673 -0.205 4.881
73 HE2 PHE 8 HE2 PHE 8 16.420 0.249 6.821
74 HZ PHE 8 HZ PHE 8 14.204 -0.792 6.696
75 H ARG 9 HN ARG 9 13.170 4.866 4.044
76 HA ARG 9 HA ARG 9 12.435 5.489 1.397
77 HB2 ARG 9 HB2 ARG 9 10.821 4.907 3.323
78 HB3 ARG 9 HB1 ARG 9 11.108 6.579 3.928
79 HG2 ARG 9 HG2 ARG 9 9.615 7.405 2.478
80 HG3 ARG 9 HG1 ARG 9 10.540 6.721 1.082
81 HD2 ARG 9 HD2 ARG 9 9.313 4.577 1.265
82 HD3 ARG 9 HD1 ARG 9 8.456 5.152 2.764
83 HE ARG 9 HE ARG 9 7.999 7.066 0.668
84 HH11 ARG 9 HH11 ARG 9 7.282 3.696 1.569
85 HH12 ARG 9 HH12 ARG 9 5.769 3.631 0.731
86 HH21 ARG 9 HH21 ARG 9 5.939 6.978 -0.473
87 HH22 ARG 9 HH22 ARG 9 4.993 5.530 -0.450
88 H ASN 10 HN ASN 10 13.742 7.310 4.171
89 HA ASN 10 HA ASN 10 13.363 9.870 3.159
90 HB2 ASN 10 HB2 ASN 10 15.604 8.693 4.919
91 HB3 ASN 10 HB1 ASN 10 15.471 10.452 4.550
92 HD21 ASN 10 HD21 ASN 10 15.319 9.087 7.207
93 H PHE 11 HN PHE 11 15.761 7.292 2.512
94 HA PHE 11 HA PHE 11 17.237 9.000 0.731
95 HB2 PHE 11 HB2 PHE 11 17.334 5.995 1.436
96 HB3 PHE 11 HB1 PHE 11 18.202 6.631 -0.026
97 HD1 PHE 11 HD1 PHE 11 18.486 5.924 3.398
98 HD2 PHE 11 HD2 PHE 11 19.685 8.739 0.448
99 HE1 PHE 11 HE1 PHE 11 20.388 6.583 4.795
100 HE2 PHE 11 HE2 PHE 11 21.581 9.393 1.844
101 HZ PHE 11 HZ PHE 11 21.941 8.317 4.020
102 H ILE 12 HN ILE 12 16.267 5.747 -0.387
103 HA ILE 12 HA ILE 12 14.102 6.865 -1.942
104 HB ILE 12 HB ILE 12 16.359 5.259 -3.242
105 HG12 ILE 12 HG12 ILE 12 17.101 7.622 -2.787
106 HG13 ILE 12 HG11 ILE 12 16.964 7.245 -4.537
107 HG21 ILE 12 HG21 ILE 12 14.384 4.665 -4.370
108 HG22 ILE 12 HG22 ILE 12 14.916 6.090 -5.337
109 HG23 ILE 12 HG23 ILE 12 13.611 6.274 -4.106
110 HD11 ILE 12 HD11 ILE 12 14.444 8.382 -3.379
111 HD12 ILE 12 HD12 ILE 12 15.343 8.836 -4.874
112 HD13 ILE 12 HD13 ILE 12 15.862 9.490 -3.275
113 H LEU 13 HN LEU 13 12.458 5.390 -1.831
114 HA LEU 13 HA LEU 13 13.248 2.603 -1.509
115 HB2 LEU 13 HB2 LEU 13 12.629 3.529 0.776
116 HB3 LEU 13 HB1 LEU 13 11.040 4.023 0.095
117 HG LEU 13 HG LEU 13 10.545 1.630 -0.448
118 HD11 LEU 13 HD11 LEU 13 13.383 1.287 0.430
119 HD12 LEU 13 HD12 LEU 13 12.353 0.244 -0.623
120 HD13 LEU 13 HD13 LEU 13 12.240 0.104 1.172
121 HD21 LEU 13 HD21 LEU 13 9.504 1.511 1.558
122 HD22 LEU 13 HD22 LEU 13 10.473 2.943 2.079
123 HD23 LEU 13 HD23 LEU 13 11.067 1.274 2.431
124 H GLN 14 HN GLN 14 12.291 1.444 -3.142
125 HA GLN 14 HA GLN 14 9.765 2.551 -4.151
126 HB2 GLN 14 HB2 GLN 14 12.046 1.217 -5.711
127 HB3 GLN 14 HB1 GLN 14 10.400 1.484 -6.390
128 HG2 GLN 14 HG2 GLN 14 10.643 3.926 -6.224
129 HG3 GLN 14 HG1 GLN 14 12.209 3.756 -5.334
130 HE21 GLN 14 HE21 GLN 14 11.669 5.080 -7.971
131 HE22 GLN 14 HE22 GLN 14 12.686 4.283 -9.123
132 H ARG 15 HN ARG 15 11.684 -0.100 -2.952
133 HA ARG 15 HA ARG 15 11.197 -2.177 -2.446
134 HB2 ARG 15 HB2 ARG 15 8.242 -1.471 -2.918
135 HB3 ARG 15 HB1 ARG 15 8.851 -2.943 -2.088
136 HG2 ARG 15 HG2 ARG 15 9.332 -0.065 -1.104
137 HG3 ARG 15 HG1 ARG 15 8.009 -1.134 -0.527
138 HD2 ARG 15 HD2 ARG 15 11.020 -1.842 -0.319
139 HD3 ARG 15 HD1 ARG 15 10.023 -1.128 1.025
140 HE ARG 15 HE ARG 15 8.609 -3.412 0.099
141 HH11 ARG 15 HH11 ARG 15 11.766 -2.587 1.526
142 HH12 ARG 15 HH12 ARG 15 11.964 -4.098 2.348
143 HH21 ARG 15 HH21 ARG 15 8.876 -5.469 1.214
144 HH22 ARG 15 HH22 ARG 15 10.293 -5.766 2.166
145 H LYS 16 HN LYS 16 11.465 -1.105 -5.331
146 HA LYS 16 HA LYS 16 10.016 -3.201 -6.711
147 HB2 LYS 16 HB2 LYS 16 10.176 -0.918 -7.772
148 HB3 LYS 16 HB1 LYS 16 11.967 -1.060 -7.750
149 HG2 LYS 16 HG2 LYS 16 11.175 -1.575 -9.992
150 HG3 LYS 16 HG1 LYS 16 11.803 -3.083 -9.244
151 HD2 LYS 16 HD2 LYS 16 9.495 -3.833 -8.734
152 HD3 LYS 16 HD1 LYS 16 8.827 -2.286 -9.363
153 HE2 LYS 16 HE2 LYS 16 9.703 -2.833 -11.655
154 HE3 LYS 16 HE1 LYS 16 10.381 -4.390 -11.018
155 HZ1 LYS 16 HZ1 LYS 16 7.863 -3.940 -11.994
156 HZ2 LYS 16 HZ2 LYS 16 7.641 -4.056 -10.314
157 HZ3 LYS 16 HZ3 LYS 16 8.413 -5.312 -11.157
158 H LYS 17 HN LYS 17 10.973 -5.161 -6.107
159 HA LYS 17 HA LYS 17 13.872 -5.274 -6.242
160 HB2 LYS 17 HB2 LYS 17 12.868 -6.456 -4.327
161 HB3 LYS 17 HB1 LYS 17 11.723 -7.310 -5.416
162 HG2 LYS 17 HG2 LYS 17 13.492 -8.854 -4.755
163 HG3 LYS 17 HG1 LYS 17 13.660 -8.492 -6.505
164 HD2 LYS 17 HD2 LYS 17 15.489 -6.882 -6.027
165 HD3 LYS 17 HD1 LYS 17 15.277 -7.132 -4.259
166 HE2 LYS 17 HE2 LYS 17 15.939 -9.543 -4.516
167 HE3 LYS 17 HE1 LYS 17 16.144 -9.292 -6.300
168 HZ1 LYS 17 HZ1 LYS 17 18.010 -8.906 -4.339
169 HZ2 LYS 17 HZ2 LYS 17 17.543 -7.332 -4.772
170 HZ3 LYS 17 HZ3 LYS 17 18.106 -8.408 -5.959
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 3.892 -0.323 5.047
2 H2 GLU 1 HT2 GLU 1 3.704 1.071 5.999
3 H3 GLU 1 HT3 GLU 1 2.401 0.488 5.079
4 HA GLU 1 HA GLU 1 1.762 -0.399 6.990
5 HB2 GLU 1 HB2 GLU 1 2.490 -2.308 5.445
6 HB3 GLU 1 HB1 GLU 1 4.040 -2.361 6.357
7 HG2 GLU 1 HG2 GLU 1 2.810 -2.921 8.468
8 HG3 GLU 1 HG1 GLU 1 1.234 -2.826 7.584
9 H MET 2 HN MET 2 5.342 -0.038 6.914
10 HA MET 2 HA MET 2 5.175 0.360 9.816
11 HB2 MET 2 HB2 MET 2 7.428 -1.006 8.224
12 HB3 MET 2 HB1 MET 2 7.578 -0.487 9.939
13 HG2 MET 2 HG2 MET 2 5.776 -2.025 10.614
14 HG3 MET 2 HG1 MET 2 5.478 -2.480 8.907
15 HE1 MET 2 HE1 MET 2 7.616 -2.258 11.862
16 HE2 MET 2 HE2 MET 2 9.146 -2.118 10.929
17 HE3 MET 2 HE3 MET 2 8.785 -3.624 11.839
18 H ARG 3 HN ARG 3 6.348 2.169 10.587
19 HA ARG 3 HA ARG 3 7.005 4.028 8.483
20 HB2 ARG 3 HB2 ARG 3 5.882 4.760 10.702
21 HB3 ARG 3 HB1 ARG 3 7.469 4.434 11.490
22 HG2 ARG 3 HG2 ARG 3 8.574 6.116 10.026
23 HG3 ARG 3 HG1 ARG 3 7.031 6.402 9.154
24 HD2 ARG 3 HD2 ARG 3 7.341 8.215 10.803
25 HD3 ARG 3 HD1 ARG 3 5.999 7.146 11.406
26 HE ARG 3 HE ARG 3 7.417 6.429 13.182
27 HH11 ARG 3 HH11 ARG 3 9.229 8.277 10.726
28 HH12 ARG 3 HH12 ARG 3 10.666 8.428 11.682
29 HH21 ARG 3 HH21 ARG 3 9.369 6.640 14.475
30 HH22 ARG 3 HH22 ARG 3 10.746 7.482 13.847
31 H LEU 4 HN LEU 4 8.619 1.530 10.196
32 HA LEU 4 HA LEU 4 11.118 2.631 10.587
33 HB2 LEU 4 HB2 LEU 4 10.062 0.061 10.825
34 HB3 LEU 4 HB1 LEU 4 11.141 -0.127 9.400
35 HG LEU 4 HG LEU 4 12.326 -0.717 11.457
36 HD11 LEU 4 HD11 LEU 4 13.446 1.995 10.531
37 HD12 LEU 4 HD12 LEU 4 13.527 0.497 9.527
38 HD13 LEU 4 HD13 LEU 4 14.351 0.553 11.133
39 HD21 LEU 4 HD21 LEU 4 10.882 0.897 12.926
40 HD22 LEU 4 HD22 LEU 4 12.083 2.166 12.478
41 HD23 LEU 4 HD23 LEU 4 12.621 0.686 13.358
42 H SER 5 HN SER 5 9.449 1.639 7.577
43 HA SER 5 HA SER 5 11.886 1.940 6.062
44 HB2 SER 5 HB2 SER 5 8.938 1.659 5.191
45 HB3 SER 5 HB1 SER 5 10.323 1.796 4.036
46 HG SER 5 HG SER 5 10.410 -0.118 6.082
47 H LYS 6 HN LYS 6 12.204 4.099 7.219
48 HA LYS 6 HA LYS 6 10.935 6.167 5.590
49 HB2 LYS 6 HB2 LYS 6 9.741 6.489 7.660
50 HB3 LYS 6 HB1 LYS 6 11.174 5.973 8.622
51 HG2 LYS 6 HG2 LYS 6 10.606 8.462 8.757
52 HG3 LYS 6 HG1 LYS 6 12.298 8.081 8.303
53 HD2 LYS 6 HD2 LYS 6 11.427 8.333 5.818
54 HD3 LYS 6 HD1 LYS 6 10.028 9.170 6.564
55 HE2 LYS 6 HE2 LYS 6 11.298 11.077 6.483
56 HE3 LYS 6 HE1 LYS 6 12.276 10.368 7.828
57 H PHE 7 HN PHE 7 13.338 5.436 8.118
58 HA PHE 7 HA PHE 7 15.035 7.497 7.691
59 HB2 PHE 7 HB2 PHE 7 15.685 4.588 8.296
60 HB3 PHE 7 HB1 PHE 7 16.741 5.995 8.697
61 HD1 PHE 7 HD1 PHE 7 14.125 3.849 9.673
62 HD2 PHE 7 HD2 PHE 7 15.779 7.709 10.285
63 HE1 PHE 7 HE1 PHE 7 12.941 4.016 11.795
64 HE2 PHE 7 HE2 PHE 7 14.591 7.869 12.417
65 HZ PHE 7 HZ PHE 7 13.185 6.012 13.131
66 H PHE 8 HN PHE 8 14.915 4.301 5.906
67 HA PHE 8 HA PHE 8 17.017 5.395 4.255
68 HB2 PHE 8 HB2 PHE 8 16.912 3.065 3.097
69 HB3 PHE 8 HB1 PHE 8 17.639 3.161 4.744
70 HD1 PHE 8 HD1 PHE 8 14.745 2.072 2.775
71 HD2 PHE 8 HD2 PHE 8 16.536 2.259 6.619
72 HE1 PHE 8 HE1 PHE 8 13.166 0.403 3.598
73 HE2 PHE 8 HE2 PHE 8 14.960 0.598 7.437
74 HZ PHE 8 HZ PHE 8 13.272 -0.345 5.933
75 H ARG 9 HN ARG 9 13.586 5.084 4.346
76 HA ARG 9 HA ARG 9 13.179 4.815 1.568
77 HB2 ARG 9 HB2 ARG 9 11.358 4.464 3.288
78 HB3 ARG 9 HB1 ARG 9 11.407 6.231 3.620
79 HG2 ARG 9 HG2 ARG 9 11.066 5.388 0.736
80 HG3 ARG 9 HG1 ARG 9 9.681 5.094 1.861
81 HD2 ARG 9 HD2 ARG 9 9.842 7.558 2.566
82 HD3 ARG 9 HD1 ARG 9 11.063 7.775 1.238
83 HE ARG 9 HE ARG 9 8.736 6.491 0.137
84 HH11 ARG 9 HH11 ARG 9 9.824 9.567 1.565
85 HH12 ARG 9 HH12 ARG 9 8.714 10.553 0.672
86 HH21 ARG 9 HH21 ARG 9 7.225 7.831 -1.080
87 HH22 ARG 9 HH22 ARG 9 7.210 9.547 -0.857
88 H ASN 10 HN ASN 10 13.684 7.560 3.820
89 HA ASN 10 HA ASN 10 13.133 9.550 1.949
90 HB2 ASN 10 HB2 ASN 10 15.046 9.531 4.358
91 HB3 ASN 10 HB1 ASN 10 14.676 11.011 3.396
92 HD21 ASN 10 HD21 ASN 10 13.993 9.760 6.298
93 H PHE 11 HN PHE 11 16.098 7.595 2.637
94 HA PHE 11 HA PHE 11 17.698 9.102 0.862
95 HB2 PHE 11 HB2 PHE 11 17.904 6.280 2.048
96 HB3 PHE 11 HB1 PHE 11 19.002 6.771 0.696
97 HD1 PHE 11 HD1 PHE 11 18.623 6.657 4.184
98 HD2 PHE 11 HD2 PHE 11 20.169 9.092 1.065
99 HE1 PHE 11 HE1 PHE 11 20.126 7.748 5.780
100 HE2 PHE 11 HE2 PHE 11 21.668 10.179 2.659
101 HZ PHE 11 HZ PHE 11 21.654 9.511 5.020
102 H ILE 12 HN ILE 12 15.889 5.943 0.530
103 HA ILE 12 HA ILE 12 14.711 6.499 -1.830
104 HB ILE 12 HB ILE 12 16.916 6.667 -2.920
105 HG12 ILE 12 HG12 ILE 12 15.642 3.973 -3.613
106 HG13 ILE 12 HG11 ILE 12 14.913 5.562 -4.049
107 HG21 ILE 12 HG21 ILE 12 17.480 3.751 -2.169
108 HG22 ILE 12 HG22 ILE 12 17.933 5.077 -1.033
109 HG23 ILE 12 HG23 ILE 12 18.625 5.039 -2.698
110 HD11 ILE 12 HD11 ILE 12 17.261 4.142 -5.234
111 HD12 ILE 12 HD12 ILE 12 17.533 5.898 -4.922
112 HD13 ILE 12 HD13 ILE 12 16.155 5.369 -5.961
113 H LEU 13 HN LEU 13 13.266 4.851 -2.269
114 HA LEU 13 HA LEU 13 13.848 2.314 -0.929
115 HB2 LEU 13 HB2 LEU 13 12.055 3.680 0.308
116 HB3 LEU 13 HB1 LEU 13 11.071 3.605 -1.193
117 HG LEU 13 HG LEU 13 12.105 0.968 -0.218
118 HD11 LEU 13 HD11 LEU 13 9.996 2.517 1.413
119 HD12 LEU 13 HD12 LEU 13 11.630 1.997 1.976
120 HD13 LEU 13 HD13 LEU 13 10.373 0.760 1.589
121 HD21 LEU 13 HD21 LEU 13 10.375 0.206 -1.474
122 HD22 LEU 13 HD22 LEU 13 10.083 1.912 -1.987
123 HD23 LEU 13 HD23 LEU 13 9.184 1.224 -0.582
124 H GLN 14 HN GLN 14 13.918 0.674 -2.397
125 HA GLN 14 HA GLN 14 12.202 0.974 -4.749
126 HB2 GLN 14 HB2 GLN 14 15.140 0.055 -4.695
127 HB3 GLN 14 HB1 GLN 14 14.032 -0.222 -6.089
128 HG2 GLN 14 HG2 GLN 14 13.774 2.191 -6.463
129 HG3 GLN 14 HG1 GLN 14 14.698 2.567 -4.955
130 HE21 GLN 14 HE21 GLN 14 15.312 3.264 -7.829
131 HE22 GLN 14 HE22 GLN 14 16.885 2.614 -8.142
132 H ARG 15 HN ARG 15 12.044 -0.299 -2.065
133 HA ARG 15 HA ARG 15 12.656 -2.999 -2.321
134 HB2 ARG 15 HB2 ARG 15 10.539 -1.610 -0.599
135 HB3 ARG 15 HB1 ARG 15 10.911 -3.363 -0.482
136 HG2 ARG 15 HG2 ARG 15 12.967 -1.113 -0.038
137 HG3 ARG 15 HG1 ARG 15 12.050 -1.929 1.273
138 HD2 ARG 15 HD2 ARG 15 13.979 -3.343 -0.704
139 HD3 ARG 15 HD1 ARG 15 14.345 -2.921 1.024
140 HE ARG 15 HE ARG 15 12.588 -5.111 0.068
141 HH11 ARG 15 HH11 ARG 15 13.559 -2.957 2.740
142 HH12 ARG 15 HH12 ARG 15 12.981 -4.003 3.994
143 HH21 ARG 15 HH21 ARG 15 11.804 -6.526 1.775
144 HH22 ARG 15 HH22 ARG 15 11.967 -6.064 3.436
145 H LYS 16 HN LYS 16 9.771 -1.050 -3.179
146 HA LYS 16 HA LYS 16 8.437 -3.474 -4.018
147 HB2 LYS 16 HB2 LYS 16 7.093 -1.618 -2.950
148 HB3 LYS 16 HB1 LYS 16 7.610 -0.522 -4.277
149 HG2 LYS 16 HG2 LYS 16 5.375 -1.285 -4.786
150 HG3 LYS 16 HG1 LYS 16 6.497 -2.087 -5.936
151 HD2 LYS 16 HD2 LYS 16 6.443 -4.169 -4.570
152 HD3 LYS 16 HD1 LYS 16 5.380 -3.369 -3.362
153 HE2 LYS 16 HE2 LYS 16 4.627 -3.789 -6.333
154 HE3 LYS 16 HE1 LYS 16 4.113 -4.869 -4.970
155 HZ1 LYS 16 HZ1 LYS 16 2.940 -2.514 -5.852
156 HZ2 LYS 16 HZ2 LYS 16 3.583 -2.181 -4.317
157 HZ3 LYS 16 HZ3 LYS 16 2.506 -3.477 -4.523
158 H LYS 17 HN LYS 17 9.682 -4.275 -5.750
159 HA LYS 17 HA LYS 17 10.383 -2.396 -7.833
160 HB2 LYS 17 HB2 LYS 17 10.709 -5.452 -7.669
161 HB3 LYS 17 HB1 LYS 17 11.336 -4.423 -9.005
162 HG2 LYS 17 HG2 LYS 17 12.725 -3.149 -7.296
163 HG3 LYS 17 HG1 LYS 17 12.186 -4.323 -6.047
164 HD2 LYS 17 HD2 LYS 17 13.645 -5.114 -8.642
165 HD3 LYS 17 HD1 LYS 17 14.473 -4.797 -7.078
166 HE2 LYS 17 HE2 LYS 17 13.117 -6.654 -6.010
167 HE3 LYS 17 HE1 LYS 17 12.366 -6.997 -7.625
168 HZ1 LYS 17 HZ1 LYS 17 14.947 -7.689 -6.601
169 HZ2 LYS 17 HZ2 LYS 17 15.039 -6.936 -8.120
170 HZ3 LYS 17 HZ3 LYS 17 14.077 -8.319 -7.915
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 3.089 -1.844 4.962
2 H2 GLU 1 HT2 GLU 1 2.385 -2.750 6.214
3 H3 GLU 1 HT3 GLU 1 4.016 -2.288 6.314
4 HA GLU 1 HA GLU 1 2.760 0.063 5.964
5 HB2 GLU 1 HB2 GLU 1 1.114 -1.793 7.775
6 HB3 GLU 1 HB1 GLU 1 0.999 0.002 7.858
7 HG2 GLU 1 HG2 GLU 1 0.194 0.122 5.519
8 HG3 GLU 1 HG1 GLU 1 0.435 -1.658 5.309
9 H MET 2 HN MET 2 5.214 -0.138 6.642
10 HA MET 2 HA MET 2 5.240 0.200 9.557
11 HB2 MET 2 HB2 MET 2 7.375 -1.141 7.793
12 HB3 MET 2 HB1 MET 2 7.652 -0.639 9.498
13 HG2 MET 2 HG2 MET 2 5.692 -2.141 10.166
14 HG3 MET 2 HG1 MET 2 5.660 -2.745 8.480
15 HE1 MET 2 HE1 MET 2 8.774 -3.054 7.574
16 HE2 MET 2 HE2 MET 2 7.204 -3.882 7.289
17 HE3 MET 2 HE3 MET 2 8.626 -4.823 7.856
18 H ARG 3 HN ARG 3 6.385 2.023 10.271
19 HA ARG 3 HA ARG 3 7.159 3.798 8.094
20 HB2 ARG 3 HB2 ARG 3 5.736 4.639 10.095
21 HB3 ARG 3 HB1 ARG 3 7.215 4.415 11.098
22 HG2 ARG 3 HG2 ARG 3 8.459 6.043 9.724
23 HG3 ARG 3 HG1 ARG 3 7.079 6.193 8.583
24 HD2 ARG 3 HD2 ARG 3 7.051 8.139 10.107
25 HD3 ARG 3 HD1 ARG 3 5.655 7.066 10.558
26 HE ARG 3 HE ARG 3 6.764 6.543 12.603
27 HH11 ARG 3 HH11 ARG 3 8.922 8.277 10.350
28 HH12 ARG 3 HH12 ARG 3 10.161 8.568 11.526
29 HH21 ARG 3 HH21 ARG 3 8.447 6.945 14.193
30 HH22 ARG 3 HH22 ARG 3 9.887 7.798 13.745
31 H LEU 4 HN LEU 4 8.579 1.412 10.068
32 HA LEU 4 HA LEU 4 10.977 2.645 10.741
33 HB2 LEU 4 HB2 LEU 4 9.996 0.149 11.224
34 HB3 LEU 4 HB1 LEU 4 11.035 -0.243 9.812
35 HG LEU 4 HG LEU 4 12.210 -0.603 11.957
36 HD11 LEU 4 HD11 LEU 4 14.299 0.333 11.333
37 HD12 LEU 4 HD12 LEU 4 13.549 1.839 10.680
38 HD13 LEU 4 HD13 LEU 4 13.385 0.284 9.777
39 HD21 LEU 4 HD21 LEU 4 10.928 1.299 13.177
40 HD22 LEU 4 HD22 LEU 4 12.142 2.426 12.464
41 HD23 LEU 4 HD23 LEU 4 12.678 1.105 13.570
42 H SER 5 HN SER 5 9.794 1.168 7.670
43 HA SER 5 HA SER 5 12.390 1.505 6.481
44 HB2 SER 5 HB2 SER 5 11.029 1.025 4.280
45 HB3 SER 5 HB1 SER 5 11.150 -0.321 5.481
46 HG SER 5 HG SER 5 9.020 1.538 5.169
47 H LYS 6 HN LYS 6 12.109 3.856 7.502
48 HA LYS 6 HA LYS 6 10.982 5.535 5.361
49 HB2 LYS 6 HB2 LYS 6 9.753 5.978 7.475
50 HB3 LYS 6 HB1 LYS 6 11.324 6.077 8.362
51 HG2 LYS 6 HG2 LYS 6 11.232 7.933 6.047
52 HG3 LYS 6 HG1 LYS 6 9.885 8.234 7.189
53 HD2 LYS 6 HD2 LYS 6 11.399 8.665 9.015
54 HD3 LYS 6 HD1 LYS 6 12.798 7.971 8.127
55 HE2 LYS 6 HE2 LYS 6 11.301 10.415 7.006
56 HE3 LYS 6 HE1 LYS 6 12.562 10.608 8.286
57 H PHE 7 HN PHE 7 13.476 5.104 7.879
58 HA PHE 7 HA PHE 7 14.947 7.318 7.359
59 HB2 PHE 7 HB2 PHE 7 15.871 4.508 8.045
60 HB3 PHE 7 HB1 PHE 7 16.828 6.009 8.332
61 HD1 PHE 7 HD1 PHE 7 14.511 3.693 9.571
62 HD2 PHE 7 HD2 PHE 7 15.720 7.755 9.830
63 HE1 PHE 7 HE1 PHE 7 13.399 3.886 11.729
64 HE2 PHE 7 HE2 PHE 7 14.604 7.939 12.000
65 HZ PHE 7 HZ PHE 7 13.454 5.992 12.904
66 H PHE 8 HN PHE 8 15.066 4.103 5.592
67 HA PHE 8 HA PHE 8 17.087 5.334 3.948
68 HB2 PHE 8 HB2 PHE 8 16.776 3.008 2.632
69 HB3 PHE 8 HB1 PHE 8 17.827 3.150 4.087
70 HD1 PHE 8 HD1 PHE 8 14.721 1.819 2.720
71 HD2 PHE 8 HD2 PHE 8 17.099 2.314 6.202
72 HE1 PHE 8 HE1 PHE 8 13.438 0.075 3.851
73 HE2 PHE 8 HE2 PHE 8 15.818 0.579 7.326
74 HZ PHE 8 HZ PHE 8 13.986 -0.554 6.159
75 H ARG 9 HN ARG 9 13.658 4.958 4.058
76 HA ARG 9 HA ARG 9 13.250 4.983 1.255
77 HB2 ARG 9 HB2 ARG 9 11.488 4.332 3.014
78 HB3 ARG 9 HB1 ARG 9 11.380 6.083 3.411
79 HG2 ARG 9 HG2 ARG 9 11.136 5.337 0.495
80 HG3 ARG 9 HG1 ARG 9 9.779 4.851 1.584
81 HD2 ARG 9 HD2 ARG 9 10.887 7.688 1.759
82 HD3 ARG 9 HD1 ARG 9 9.750 7.252 0.407
83 HE ARG 9 HE ARG 9 8.545 6.265 2.766
84 HH11 ARG 9 HH11 ARG 9 9.732 9.377 1.509
85 HH12 ARG 9 HH12 ARG 9 8.570 10.341 2.358
86 HH21 ARG 9 HH21 ARG 9 6.961 7.574 3.922
87 HH22 ARG 9 HH22 ARG 9 6.967 9.296 3.752
88 H ASN 10 HN ASN 10 13.678 7.369 3.867
89 HA ASN 10 HA ASN 10 13.059 9.639 2.388
90 HB2 ASN 10 HB2 ASN 10 15.068 9.199 4.683
91 HB3 ASN 10 HB1 ASN 10 14.687 10.826 4.009
92 HD21 ASN 10 HD21 ASN 10 14.256 9.688 6.784
93 H PHE 11 HN PHE 11 16.028 7.610 2.648
94 HA PHE 11 HA PHE 11 17.595 9.380 1.088
95 HB2 PHE 11 HB2 PHE 11 17.860 6.493 2.015
96 HB3 PHE 11 HB1 PHE 11 18.787 6.971 0.536
97 HD1 PHE 11 HD1 PHE 11 18.181 7.911 4.086
98 HD2 PHE 11 HD2 PHE 11 20.771 8.120 0.727
99 HE1 PHE 11 HE1 PHE 11 19.919 8.908 5.487
100 HE2 PHE 11 HE2 PHE 11 22.505 9.121 2.131
101 HZ PHE 11 HZ PHE 11 22.088 9.515 4.516
102 H ILE 12 HN ILE 12 16.020 6.166 0.315
103 HA ILE 12 HA ILE 12 14.649 6.998 -1.868
104 HB ILE 12 HB ILE 12 16.675 7.577 -3.079
105 HG12 ILE 12 HG12 ILE 12 16.688 5.817 -4.908
106 HG13 ILE 12 HG11 ILE 12 15.589 4.827 -3.892
107 HG21 ILE 12 HG21 ILE 12 17.703 4.792 -2.214
108 HG22 ILE 12 HG22 ILE 12 18.290 6.384 -1.604
109 HG23 ILE 12 HG23 ILE 12 18.556 5.925 -3.326
110 HD11 ILE 12 HD11 ILE 12 14.823 6.825 -5.760
111 HD12 ILE 12 HD12 ILE 12 14.596 7.614 -4.154
112 HD13 ILE 12 HD13 ILE 12 13.762 6.055 -4.520
113 H LEU 13 HN LEU 13 13.327 5.302 -2.493
114 HA LEU 13 HA LEU 13 14.245 2.644 -1.695
115 HB2 LEU 13 HB2 LEU 13 12.543 3.667 -0.001
116 HB3 LEU 13 HB1 LEU 13 11.354 3.611 -1.344
117 HG LEU 13 HG LEU 13 12.877 1.073 -0.801
118 HD11 LEU 13 HD11 LEU 13 11.079 0.534 1.050
119 HD12 LEU 13 HD12 LEU 13 10.951 2.326 1.223
120 HD13 LEU 13 HD13 LEU 13 12.533 1.503 1.501
121 HD21 LEU 13 HD21 LEU 13 9.959 0.826 -0.894
122 HD22 LEU 13 HD22 LEU 13 11.198 0.215 -2.053
123 HD23 LEU 13 HD23 LEU 13 10.527 1.878 -2.245
124 H GLN 14 HN GLN 14 14.217 1.346 -3.486
125 HA GLN 14 HA GLN 14 12.102 1.887 -5.431
126 HB2 GLN 14 HB2 GLN 14 15.086 1.436 -6.041
127 HB3 GLN 14 HB1 GLN 14 13.781 1.301 -7.275
128 HG2 GLN 14 HG2 GLN 14 13.192 3.670 -7.026
129 HG3 GLN 14 HG1 GLN 14 14.320 3.849 -5.623
130 HE21 GLN 14 HE21 GLN 14 14.338 5.250 -8.289
131 HE22 GLN 14 HE22 GLN 14 15.889 4.926 -8.982
132 H ARG 15 HN ARG 15 12.584 0.066 -3.124
133 HA ARG 15 HA ARG 15 13.433 -2.395 -4.105
134 HB2 ARG 15 HB2 ARG 15 11.532 -1.753 -1.788
135 HB3 ARG 15 HB1 ARG 15 12.163 -3.398 -2.139
136 HG2 ARG 15 HG2 ARG 15 13.965 -0.970 -1.573
137 HG3 ARG 15 HG1 ARG 15 13.399 -2.112 -0.308
138 HD2 ARG 15 HD2 ARG 15 14.519 -4.019 -1.534
139 HD3 ARG 15 HD1 ARG 15 15.130 -2.842 -2.776
140 HE ARG 15 HE ARG 15 16.062 -3.095 0.045
141 HH11 ARG 15 HH11 ARG 15 16.006 -1.261 -3.015
142 HH12 ARG 15 HH12 ARG 15 17.439 -0.351 -2.670
143 HH21 ARG 15 HH21 ARG 15 18.005 -1.855 0.507
144 HH22 ARG 15 HH22 ARG 15 18.593 -0.695 -0.635
145 H LYS 16 HN LYS 16 10.255 -0.756 -3.958
146 HA LYS 16 HA LYS 16 8.299 -1.233 -4.885
147 HB2 LYS 16 HB2 LYS 16 9.882 -2.977 -6.860
148 HB3 LYS 16 HB1 LYS 16 8.197 -2.391 -7.087
149 HG2 LYS 16 HG2 LYS 16 10.693 -0.598 -6.860
150 HG3 LYS 16 HG1 LYS 16 9.879 -1.063 -8.391
151 HD2 LYS 16 HD2 LYS 16 7.770 0.053 -7.587
152 HD3 LYS 16 HD1 LYS 16 8.619 0.549 -6.083
153 HE2 LYS 16 HE2 LYS 16 10.254 1.892 -7.444
154 HE3 LYS 16 HE1 LYS 16 9.387 1.399 -8.958
155 HZ1 LYS 16 HZ1 LYS 16 8.699 3.359 -6.971
156 HZ2 LYS 16 HZ2 LYS 16 7.409 2.329 -7.366
157 HZ3 LYS 16 HZ3 LYS 16 8.203 3.202 -8.587
158 H LYS 17 HN LYS 17 9.060 -2.805 -2.626
159 HA LYS 17 HA LYS 17 7.950 -5.416 -3.388
160 HB2 LYS 17 HB2 LYS 17 9.576 -4.547 -0.925
161 HB3 LYS 17 HB1 LYS 17 8.779 -6.153 -1.078
162 HG2 LYS 17 HG2 LYS 17 10.146 -6.653 -3.105
163 HG3 LYS 17 HG1 LYS 17 10.940 -5.046 -2.972
164 HD2 LYS 17 HD2 LYS 17 11.846 -5.680 -0.724
165 HD3 LYS 17 HD1 LYS 17 11.047 -7.285 -0.855
166 HE2 LYS 17 HE2 LYS 17 12.443 -7.828 -2.870
167 HE3 LYS 17 HE1 LYS 17 13.237 -6.201 -2.754
168 HZ1 LYS 17 HZ1 LYS 17 14.089 -8.461 -1.576
169 HZ2 LYS 17 HZ2 LYS 17 13.253 -7.717 -0.299
170 HZ3 LYS 17 HZ3 LYS 17 14.501 -6.886 -1.095
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 3.414 -1.561 4.234
2 H2 GLU 1 HT2 GLU 1 4.716 -1.647 5.321
3 H3 GLU 1 HT3 GLU 1 4.402 -0.203 4.483
4 HA GLU 1 HA GLU 1 2.678 0.380 5.766
5 HB2 GLU 1 HB2 GLU 1 1.255 -1.237 7.044
6 HB3 GLU 1 HB1 GLU 1 1.332 -1.651 5.297
7 HG2 GLU 1 HG2 GLU 1 3.112 -3.386 5.797
8 HG3 GLU 1 HG1 GLU 1 2.961 -3.002 7.558
9 H MET 2 HN MET 2 5.613 -0.037 6.369
10 HA MET 2 HA MET 2 5.300 0.007 9.285
11 HB2 MET 2 HB2 MET 2 7.613 -1.208 7.659
12 HB3 MET 2 HB1 MET 2 7.683 -0.893 9.429
13 HG2 MET 2 HG2 MET 2 5.833 -2.464 9.835
14 HG3 MET 2 HG1 MET 2 5.610 -2.714 8.076
15 HE1 MET 2 HE1 MET 2 8.787 -4.244 10.988
16 HE2 MET 2 HE2 MET 2 7.608 -2.896 11.139
17 HE3 MET 2 HE3 MET 2 9.168 -2.634 10.285
18 H ARG 3 HN ARG 3 6.488 1.666 10.332
19 HA ARG 3 HA ARG 3 7.189 3.803 8.565
20 HB2 ARG 3 HB2 ARG 3 6.211 4.322 10.835
21 HB3 ARG 3 HB1 ARG 3 7.673 3.594 11.598
22 HG2 ARG 3 HG2 ARG 3 9.128 5.311 10.669
23 HG3 ARG 3 HG1 ARG 3 7.814 5.956 9.625
24 HD2 ARG 3 HD2 ARG 3 7.704 5.961 12.725
25 HD3 ARG 3 HD1 ARG 3 8.255 7.369 11.711
26 HE ARG 3 HE ARG 3 5.707 6.525 10.718
27 HH11 ARG 3 HH11 ARG 3 7.212 7.881 13.647
28 HH12 ARG 3 HH12 ARG 3 5.804 8.754 14.154
29 HH21 ARG 3 HH21 ARG 3 3.791 7.713 11.405
30 HH22 ARG 3 HH22 ARG 3 3.825 8.655 12.856
31 H LEU 4 HN LEU 4 8.844 1.047 9.913
32 HA LEU 4 HA LEU 4 11.367 2.065 10.275
33 HB2 LEU 4 HB2 LEU 4 10.282 -0.518 10.212
34 HB3 LEU 4 HB1 LEU 4 11.359 -0.519 8.771
35 HG LEU 4 HG LEU 4 12.112 0.071 11.683
36 HD11 LEU 4 HD11 LEU 4 13.102 -2.104 9.734
37 HD12 LEU 4 HD12 LEU 4 11.891 -2.345 11.051
38 HD13 LEU 4 HD13 LEU 4 13.591 -1.897 11.459
39 HD21 LEU 4 HD21 LEU 4 14.473 0.399 10.856
40 HD22 LEU 4 HD22 LEU 4 13.342 1.684 10.281
41 HD23 LEU 4 HD23 LEU 4 13.861 0.369 9.159
42 H SER 5 HN SER 5 9.564 1.441 7.233
43 HA SER 5 HA SER 5 11.936 1.905 5.665
44 HB2 SER 5 HB2 SER 5 8.947 1.803 4.897
45 HB3 SER 5 HB1 SER 5 10.289 2.055 3.707
46 HG SER 5 HG SER 5 9.470 -0.148 4.082
47 H LYS 6 HN LYS 6 12.364 3.896 7.066
48 HA LYS 6 HA LYS 6 11.071 6.177 5.778
49 HB2 LYS 6 HB2 LYS 6 9.973 6.253 7.923
50 HB3 LYS 6 HB1 LYS 6 11.436 5.598 8.746
51 HG2 LYS 6 HG2 LYS 6 10.921 8.064 9.210
52 HG3 LYS 6 HG1 LYS 6 12.586 7.712 8.647
53 HD2 LYS 6 HD2 LYS 6 11.613 8.277 6.243
54 HD3 LYS 6 HD1 LYS 6 10.279 9.055 7.153
55 HE2 LYS 6 HE2 LYS 6 11.606 10.924 7.234
56 HE3 LYS 6 HE1 LYS 6 12.622 10.033 8.436
57 H PHE 7 HN PHE 7 13.551 5.106 8.098
58 HA PHE 7 HA PHE 7 15.266 7.185 7.849
59 HB2 PHE 7 HB2 PHE 7 15.886 4.218 8.111
60 HB3 PHE 7 HB1 PHE 7 16.975 5.559 8.629
61 HD1 PHE 7 HD1 PHE 7 14.300 3.389 9.422
62 HD2 PHE 7 HD2 PHE 7 16.141 7.072 10.449
63 HE1 PHE 7 HE1 PHE 7 13.180 3.342 11.585
64 HE2 PHE 7 HE2 PHE 7 15.012 7.020 12.618
65 HZ PHE 7 HZ PHE 7 13.543 5.146 13.143
66 H PHE 8 HN PHE 8 15.022 4.212 5.730
67 HA PHE 8 HA PHE 8 17.084 5.449 4.130
68 HB2 PHE 8 HB2 PHE 8 16.876 3.252 2.732
69 HB3 PHE 8 HB1 PHE 8 17.692 3.173 4.337
70 HD1 PHE 8 HD1 PHE 8 14.680 2.321 2.431
71 HD2 PHE 8 HD2 PHE 8 16.675 2.099 6.171
72 HE1 PHE 8 HE1 PHE 8 13.117 0.598 3.170
73 HE2 PHE 8 HE2 PHE 8 15.114 0.386 6.905
74 HZ PHE 8 HZ PHE 8 13.331 -0.379 5.408
75 H ARG 9 HN ARG 9 13.653 5.177 4.321
76 HA ARG 9 HA ARG 9 13.131 5.220 1.548
77 HB2 ARG 9 HB2 ARG 9 11.374 4.706 3.296
78 HB3 ARG 9 HB1 ARG 9 11.467 6.425 3.816
79 HG2 ARG 9 HG2 ARG 9 10.993 5.904 0.875
80 HG3 ARG 9 HG1 ARG 9 9.650 5.511 2.020
81 HD2 ARG 9 HD2 ARG 9 9.888 7.882 2.978
82 HD3 ARG 9 HD1 ARG 9 11.055 8.224 1.627
83 HE ARG 9 HE ARG 9 8.663 7.099 0.498
84 HH11 ARG 9 HH11 ARG 9 9.854 9.985 2.210
85 HH12 ARG 9 HH12 ARG 9 8.722 11.075 1.483
86 HH21 ARG 9 HH21 ARG 9 7.121 8.581 -0.495
87 HH22 ARG 9 HH22 ARG 9 7.142 10.263 -0.082
88 H ASN 10 HN ASN 10 13.778 7.688 4.068
89 HA ASN 10 HA ASN 10 13.188 9.885 2.463
90 HB2 ASN 10 HB2 ASN 10 15.210 9.559 4.759
91 HB3 ASN 10 HB1 ASN 10 14.828 11.146 3.991
92 HD21 ASN 10 HD21 ASN 10 14.249 9.579 6.762
93 H PHE 11 HN PHE 11 16.132 7.813 2.779
94 HA PHE 11 HA PHE 11 17.679 9.478 1.097
95 HB2 PHE 11 HB2 PHE 11 17.889 6.556 1.994
96 HB3 PHE 11 HB1 PHE 11 18.914 7.144 0.625
97 HD1 PHE 11 HD1 PHE 11 18.644 6.838 4.147
98 HD2 PHE 11 HD2 PHE 11 20.254 9.291 1.075
99 HE1 PHE 11 HE1 PHE 11 20.269 7.756 5.731
100 HE2 PHE 11 HE2 PHE 11 21.873 10.210 2.659
101 HZ PHE 11 HZ PHE 11 21.889 9.444 4.991
102 H ILE 12 HN ILE 12 15.822 6.381 0.526
103 HA ILE 12 HA ILE 12 14.549 7.208 -1.714
104 HB ILE 12 HB ILE 12 16.712 7.429 -2.871
105 HG12 ILE 12 HG12 ILE 12 15.343 4.844 -3.765
106 HG13 ILE 12 HG11 ILE 12 14.642 6.484 -4.021
107 HG21 ILE 12 HG21 ILE 12 18.383 5.741 -2.886
108 HG22 ILE 12 HG22 ILE 12 17.225 4.442 -2.412
109 HG23 ILE 12 HG23 ILE 12 17.770 5.654 -1.193
110 HD11 ILE 12 HD11 ILE 12 15.803 6.420 -5.997
111 HD12 ILE 12 HD12 ILE 12 16.926 5.133 -5.412
112 HD13 ILE 12 HD13 ILE 12 17.219 6.858 -4.969
113 H LEU 13 HN LEU 13 13.040 5.647 -2.244
114 HA LEU 13 HA LEU 13 13.582 2.989 -1.148
115 HB2 LEU 13 HB2 LEU 13 11.880 4.132 0.288
116 HB3 LEU 13 HB1 LEU 13 10.920 4.529 -1.179
117 HG LEU 13 HG LEU 13 10.603 2.094 -1.630
118 HD11 LEU 13 HD11 LEU 13 12.494 1.842 0.712
119 HD12 LEU 13 HD12 LEU 13 12.269 0.781 -0.729
120 HD13 LEU 13 HD13 LEU 13 11.119 0.674 0.657
121 HD21 LEU 13 HD21 LEU 13 9.739 2.873 1.225
122 HD22 LEU 13 HD22 LEU 13 8.939 1.684 0.127
123 HD23 LEU 13 HD23 LEU 13 8.937 3.441 -0.288
124 H GLN 14 HN GLN 14 13.613 1.483 -2.766
125 HA GLN 14 HA GLN 14 11.805 1.958 -5.004
126 HB2 GLN 14 HB2 GLN 14 14.787 1.220 -5.206
127 HB3 GLN 14 HB1 GLN 14 13.615 1.004 -6.557
128 HG2 GLN 14 HG2 GLN 14 13.196 3.422 -6.677
129 HG3 GLN 14 HG1 GLN 14 14.190 3.711 -5.195
130 HE21 GLN 14 HE21 GLN 14 14.576 4.701 -8.030
131 HE22 GLN 14 HE22 GLN 14 16.162 4.185 -8.491
132 H ARG 15 HN ARG 15 11.940 0.386 -2.441
133 HA ARG 15 HA ARG 15 12.482 -2.260 -3.376
134 HB2 ARG 15 HB2 ARG 15 11.229 -1.311 -0.741
135 HB3 ARG 15 HB1 ARG 15 11.657 -3.016 -1.118
136 HG2 ARG 15 HG2 ARG 15 13.689 -0.703 -1.070
137 HG3 ARG 15 HG1 ARG 15 13.348 -1.779 0.327
138 HD2 ARG 15 HD2 ARG 15 14.025 -3.782 -1.113
139 HD3 ARG 15 HD1 ARG 15 14.508 -2.611 -2.421
140 HE ARG 15 HE ARG 15 15.761 -1.799 0.036
141 HH11 ARG 15 HH11 ARG 15 15.764 -4.435 -2.361
142 HH12 ARG 15 HH12 ARG 15 17.431 -4.847 -2.133
143 HH21 ARG 15 HH21 ARG 15 18.027 -2.360 0.347
144 HH22 ARG 15 HH22 ARG 15 18.738 -3.648 -0.567
145 H LYS 16 HN LYS 16 10.866 -1.897 -5.238
146 HA LYS 16 HA LYS 16 8.144 -1.671 -4.638
147 HB2 LYS 16 HB2 LYS 16 9.087 -1.279 -6.938
148 HB3 LYS 16 HB1 LYS 16 9.509 -3.022 -7.037
149 HG2 LYS 16 HG2 LYS 16 7.457 -2.641 -8.287
150 HG3 LYS 16 HG1 LYS 16 7.069 -3.604 -6.822
151 HD2 LYS 16 HD2 LYS 16 6.152 -1.643 -5.684
152 HD3 LYS 16 HD1 LYS 16 6.749 -0.545 -6.976
153 HE2 LYS 16 HE2 LYS 16 4.326 -0.902 -7.285
154 HE3 LYS 16 HE1 LYS 16 5.200 -1.755 -8.625
155 HZ1 LYS 16 HZ1 LYS 16 4.897 -3.435 -6.356
156 HZ2 LYS 16 HZ2 LYS 16 4.365 -3.649 -7.955
157 HZ3 LYS 16 HZ3 LYS 16 3.394 -2.812 -6.842
158 H LYS 17 HN LYS 17 10.357 -4.479 -5.069
159 HA LYS 17 HA LYS 17 8.123 -6.227 -4.390
160 HB2 LYS 17 HB2 LYS 17 11.014 -6.839 -5.246
161 HB3 LYS 17 HB1 LYS 17 9.804 -8.096 -4.809
162 HG2 LYS 17 HG2 LYS 17 8.326 -7.332 -6.677
163 HG3 LYS 17 HG1 LYS 17 9.531 -6.073 -7.117
164 HD2 LYS 17 HD2 LYS 17 11.230 -7.857 -7.569
165 HD3 LYS 17 HD1 LYS 17 10.026 -9.116 -7.125
166 HE2 LYS 17 HE2 LYS 17 8.554 -8.393 -9.028
167 HE3 LYS 17 HE1 LYS 17 9.760 -7.112 -9.469
168 HZ1 LYS 17 HZ1 LYS 17 10.786 -8.626 -10.640
169 HZ2 LYS 17 HZ2 LYS 17 9.731 -9.851 -10.121
170 HZ3 LYS 17 HZ3 LYS 17 11.139 -9.510 -9.235
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 3.366 -0.772 6.806
2 H2 GLU 1 HT2 GLU 1 2.558 0.076 5.577
3 H3 GLU 1 HT3 GLU 1 1.687 -0.943 6.619
4 HA GLU 1 HA GLU 1 2.424 1.770 6.930
5 HB2 GLU 1 HB2 GLU 1 0.631 -0.208 8.448
6 HB3 GLU 1 HB1 GLU 1 0.735 1.538 8.878
7 HG2 GLU 1 HG2 GLU 1 -0.122 2.201 6.648
8 HG3 GLU 1 HG1 GLU 1 -0.112 0.479 6.097
9 H MET 2 HN MET 2 4.871 0.986 7.389
10 HA MET 2 HA MET 2 5.052 0.947 10.312
11 HB2 MET 2 HB2 MET 2 6.809 -0.600 8.314
12 HB3 MET 2 HB1 MET 2 7.219 -0.374 10.050
13 HG2 MET 2 HG2 MET 2 4.994 -1.493 10.631
14 HG3 MET 2 HG1 MET 2 4.806 -1.878 8.891
15 HE1 MET 2 HE1 MET 2 7.229 -4.451 7.919
16 HE2 MET 2 HE2 MET 2 7.788 -2.745 7.840
17 HE3 MET 2 HE3 MET 2 6.064 -3.141 7.520
18 H ARG 3 HN ARG 3 6.747 2.275 11.158
19 HA ARG 3 HA ARG 3 7.535 4.307 9.266
20 HB2 ARG 3 HB2 ARG 3 6.891 4.967 11.631
21 HB3 ARG 3 HB1 ARG 3 8.313 4.035 12.228
22 HG2 ARG 3 HG2 ARG 3 9.878 5.523 11.100
23 HG3 ARG 3 HG1 ARG 3 8.556 6.347 10.204
24 HD2 ARG 3 HD2 ARG 3 7.669 7.298 12.353
25 HD3 ARG 3 HD1 ARG 3 8.965 6.420 13.282
26 HE ARG 3 HE ARG 3 10.307 7.917 11.286
27 HH11 ARG 3 HH11 ARG 3 8.106 8.483 14.028
28 HH12 ARG 3 HH12 ARG 3 8.730 10.053 14.407
29 HH21 ARG 3 HH21 ARG 3 11.158 10.052 11.799
30 HH22 ARG 3 HH22 ARG 3 10.496 10.961 13.116
31 H LEU 4 HN LEU 4 8.760 1.273 10.305
32 HA LEU 4 HA LEU 4 11.461 1.863 10.452
33 HB2 LEU 4 HB2 LEU 4 10.594 -0.415 11.016
34 HB3 LEU 4 HB1 LEU 4 10.171 -0.672 9.283
35 HG LEU 4 HG LEU 4 12.542 -0.466 8.629
36 HD11 LEU 4 HD11 LEU 4 13.397 1.118 10.261
37 HD12 LEU 4 HD12 LEU 4 14.333 -0.418 10.457
38 HD13 LEU 4 HD13 LEU 4 13.032 0.003 11.635
39 HD21 LEU 4 HD21 LEU 4 11.784 -2.726 9.101
40 HD22 LEU 4 HD22 LEU 4 11.992 -2.495 10.880
41 HD23 LEU 4 HD23 LEU 4 13.438 -2.549 9.801
42 H SER 5 HN SER 5 9.295 1.372 7.601
43 HA SER 5 HA SER 5 11.529 1.556 5.811
44 HB2 SER 5 HB2 SER 5 8.509 1.912 5.277
45 HB3 SER 5 HB1 SER 5 9.786 1.795 4.000
46 HG SER 5 HG SER 5 9.971 -0.226 5.789
47 H LYS 6 HN LYS 6 12.279 3.515 7.195
48 HA LYS 6 HA LYS 6 11.193 5.913 5.919
49 HB2 LYS 6 HB2 LYS 6 10.338 6.091 8.199
50 HB3 LYS 6 HB1 LYS 6 11.888 5.439 8.858
51 HG2 LYS 6 HG2 LYS 6 11.499 7.977 9.153
52 HG3 LYS 6 HG1 LYS 6 13.071 7.491 8.437
53 HD2 LYS 6 HD2 LYS 6 11.846 7.855 6.118
54 HD3 LYS 6 HD1 LYS 6 10.644 8.775 7.079
55 HE2 LYS 6 HE2 LYS 6 12.006 10.605 7.027
56 HE3 LYS 6 HE1 LYS 6 13.308 9.674 7.870
57 H PHE 7 HN PHE 7 13.770 4.503 7.951
58 HA PHE 7 HA PHE 7 15.683 6.363 7.542
59 HB2 PHE 7 HB2 PHE 7 15.928 3.337 7.638
60 HB3 PHE 7 HB1 PHE 7 17.269 4.489 7.998
61 HD1 PHE 7 HD1 PHE 7 14.461 2.693 9.176
62 HD2 PHE 7 HD2 PHE 7 16.944 6.050 9.937
63 HE1 PHE 7 HE1 PHE 7 13.678 2.747 11.485
64 HE2 PHE 7 HE2 PHE 7 16.157 6.093 12.254
65 HZ PHE 7 HZ PHE 7 14.527 4.435 12.979
66 H PHE 8 HN PHE 8 14.800 3.587 5.316
67 HA PHE 8 HA PHE 8 16.845 4.630 3.563
68 HB2 PHE 8 HB2 PHE 8 15.863 2.630 2.037
69 HB3 PHE 8 HB1 PHE 8 17.122 2.351 3.297
70 HD1 PHE 8 HD1 PHE 8 13.623 1.873 2.364
71 HD2 PHE 8 HD2 PHE 8 16.558 1.361 5.388
72 HE1 PHE 8 HE1 PHE 8 12.165 0.288 3.520
73 HE2 PHE 8 HE2 PHE 8 15.104 -0.216 6.537
74 HZ PHE 8 HZ PHE 8 12.904 -0.764 5.610
75 H ARG 9 HN ARG 9 13.465 4.931 4.168
76 HA ARG 9 HA ARG 9 12.689 5.399 1.480
77 HB2 ARG 9 HB2 ARG 9 11.133 4.896 3.515
78 HB3 ARG 9 HB1 ARG 9 11.389 6.618 3.962
79 HG2 ARG 9 HG2 ARG 9 10.577 6.058 1.102
80 HG3 ARG 9 HG1 ARG 9 9.341 5.761 2.387
81 HD2 ARG 9 HD2 ARG 9 9.822 8.133 3.265
82 HD3 ARG 9 HD1 ARG 9 10.830 8.386 1.776
83 HE ARG 9 HE ARG 9 8.255 7.365 0.986
84 HH11 ARG 9 HH11 ARG 9 9.830 10.226 2.403
85 HH12 ARG 9 HH12 ARG 9 8.679 11.361 1.784
86 HH21 ARG 9 HH21 ARG 9 6.685 8.908 0.142
87 HH22 ARG 9 HH22 ARG 9 6.858 10.598 0.476
88 H ASN 10 HN ASN 10 14.236 7.198 4.105
89 HA ASN 10 HA ASN 10 13.805 9.781 3.172
90 HB2 ASN 10 HB2 ASN 10 16.284 8.556 4.544
91 HB3 ASN 10 HB1 ASN 10 16.078 10.319 4.257
92 HD21 ASN 10 HD21 ASN 10 12.956 9.602 4.849
93 H PHE 11 HN PHE 11 16.058 7.154 2.236
94 HA PHE 11 HA PHE 11 17.405 8.820 0.333
95 HB2 PHE 11 HB2 PHE 11 17.404 5.802 0.955
96 HB3 PHE 11 HB1 PHE 11 18.158 6.431 -0.567
97 HD1 PHE 11 HD1 PHE 11 18.672 5.704 2.856
98 HD2 PHE 11 HD2 PHE 11 19.850 8.356 -0.249
99 HE1 PHE 11 HE1 PHE 11 20.729 6.225 4.079
100 HE2 PHE 11 HE2 PHE 11 21.901 8.874 0.974
101 HZ PHE 11 HZ PHE 11 22.349 7.811 3.140
102 H ILE 12 HN ILE 12 15.668 5.671 -0.269
103 HA ILE 12 HA ILE 12 13.719 6.961 -1.873
104 HB ILE 12 HB ILE 12 14.178 5.580 -3.921
105 HG12 ILE 12 HG12 ILE 12 17.017 5.244 -2.802
106 HG13 ILE 12 HG11 ILE 12 15.752 3.979 -2.615
107 HG21 ILE 12 HG21 ILE 12 15.648 7.188 -4.919
108 HG22 ILE 12 HG22 ILE 12 16.516 7.499 -3.369
109 HG23 ILE 12 HG23 ILE 12 14.821 8.080 -3.588
110 HD11 ILE 12 HD11 ILE 12 16.861 3.316 -4.603
111 HD12 ILE 12 HD12 ILE 12 17.061 5.015 -5.181
112 HD13 ILE 12 HD13 ILE 12 15.436 4.230 -5.228
113 H LEU 13 HN LEU 13 12.032 5.413 -2.440
114 HA LEU 13 HA LEU 13 12.416 2.831 -1.119
115 HB2 LEU 13 HB2 LEU 13 10.916 4.302 0.281
116 HB3 LEU 13 HB1 LEU 13 9.866 4.555 -1.154
117 HG LEU 13 HG LEU 13 9.413 2.094 -1.239
118 HD11 LEU 13 HD11 LEU 13 10.002 1.023 1.229
119 HD12 LEU 13 HD12 LEU 13 11.444 2.079 0.987
120 HD13 LEU 13 HD13 LEU 13 11.038 0.814 -0.233
121 HD21 LEU 13 HD21 LEU 13 8.625 2.710 1.584
122 HD22 LEU 13 HD22 LEU 13 7.607 2.357 0.136
123 HD23 LEU 13 HD23 LEU 13 8.256 4.020 0.401
124 H GLN 14 HN GLN 14 12.355 1.272 -2.693
125 HA GLN 14 HA GLN 14 10.447 1.752 -4.871
126 HB2 GLN 14 HB2 GLN 14 13.276 0.571 -5.061
127 HB3 GLN 14 HB1 GLN 14 12.049 0.439 -6.373
128 HG2 GLN 14 HG2 GLN 14 12.001 2.880 -6.677
129 HG3 GLN 14 HG1 GLN 14 13.066 3.122 -5.234
130 HE21 GLN 14 HE21 GLN 14 13.555 3.854 -8.112
131 HE22 GLN 14 HE22 GLN 14 15.021 3.052 -8.560
132 H ARG 15 HN ARG 15 11.432 -0.026 -2.210
133 HA ARG 15 HA ARG 15 10.908 -1.997 -1.400
134 HB2 ARG 15 HB2 ARG 15 8.840 -2.190 -3.667
135 HB3 ARG 15 HB1 ARG 15 8.909 -3.262 -2.227
136 HG2 ARG 15 HG2 ARG 15 8.479 -0.214 -2.112
137 HG3 ARG 15 HG1 ARG 15 7.162 -1.438 -2.081
138 HD2 ARG 15 HD2 ARG 15 8.218 -2.442 0.026
139 HD3 ARG 15 HD1 ARG 15 9.400 -1.059 0.025
140 HE ARG 15 HE ARG 15 6.711 -0.023 -0.182
141 HH11 ARG 15 HH11 ARG 15 8.953 -1.662 2.046
142 HH12 ARG 15 HH12 ARG 15 8.267 -0.985 3.485
143 HH21 ARG 15 HH21 ARG 15 5.763 0.887 1.777
144 HH22 ARG 15 HH22 ARG 15 6.415 0.480 3.328
145 H LYS 16 HN LYS 16 12.781 -1.565 -3.842
146 HA LYS 16 HA LYS 16 14.110 -2.819 -5.098
147 HB2 LYS 16 HB2 LYS 16 13.151 -5.220 -3.434
148 HB3 LYS 16 HB1 LYS 16 14.607 -5.177 -4.486
149 HG2 LYS 16 HG2 LYS 16 14.166 -3.436 -1.980
150 HG3 LYS 16 HG1 LYS 16 15.151 -4.937 -2.049
151 HD2 LYS 16 HD2 LYS 16 16.640 -3.859 -3.770
152 HD3 LYS 16 HD1 LYS 16 15.672 -2.349 -3.644
153 HE2 LYS 16 HE2 LYS 16 16.289 -2.151 -1.213
154 HE3 LYS 16 HE1 LYS 16 17.272 -3.669 -1.347
155 HZ1 LYS 16 HZ1 LYS 16 17.961 -1.868 -3.411
156 HZ2 LYS 16 HZ2 LYS 16 18.916 -2.502 -2.157
157 HZ3 LYS 16 HZ3 LYS 16 18.035 -1.071 -1.914
158 H LYS 17 HN LYS 17 11.400 -2.285 -5.988
159 HA LYS 17 HA LYS 17 10.006 -2.894 -7.595
160 HB2 LYS 17 HB2 LYS 17 12.385 -4.661 -8.357
161 HB3 LYS 17 HB1 LYS 17 10.830 -4.793 -9.248
162 HG2 LYS 17 HG2 LYS 17 10.928 -2.429 -9.903
163 HG3 LYS 17 HG1 LYS 17 12.382 -2.161 -8.880
164 HD2 LYS 17 HD2 LYS 17 13.127 -2.370 -11.177
165 HD3 LYS 17 HD1 LYS 17 13.626 -3.862 -10.307
166 HE2 LYS 17 HE2 LYS 17 11.712 -5.118 -11.298
167 HE3 LYS 17 HE1 LYS 17 11.127 -3.610 -12.117
168 HZ1 LYS 17 HZ1 LYS 17 13.888 -4.158 -12.634
169 HZ2 LYS 17 HZ2 LYS 17 12.602 -3.874 -13.704
170 HZ3 LYS 17 HZ3 LYS 17 12.879 -5.439 -13.106
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 1.791 0.316 6.089
2 H2 GLU 1 HT2 GLU 1 3.263 -0.441 5.712
3 H3 GLU 1 HT3 GLU 1 3.243 0.923 6.726
4 HA GLU 1 HA GLU 1 1.567 -0.720 7.998
5 HB2 GLU 1 HB2 GLU 1 3.833 -2.338 6.708
6 HB3 GLU 1 HB1 GLU 1 2.954 -2.902 8.175
7 HG2 GLU 1 HG2 GLU 1 0.809 -2.971 6.944
8 HG3 GLU 1 HG1 GLU 1 1.583 -2.245 5.481
9 H MET 2 HN MET 2 5.092 -0.138 7.401
10 HA MET 2 HA MET 2 5.275 0.439 10.271
11 HB2 MET 2 HB2 MET 2 7.354 -0.970 8.494
12 HB3 MET 2 HB1 MET 2 7.707 -0.327 10.136
13 HG2 MET 2 HG2 MET 2 5.845 -1.831 11.031
14 HG3 MET 2 HG1 MET 2 5.738 -2.567 9.402
15 HE1 MET 2 HE1 MET 2 8.719 -4.604 8.765
16 HE2 MET 2 HE2 MET 2 8.815 -2.861 8.343
17 HE3 MET 2 HE3 MET 2 7.248 -3.732 8.212
18 H ARG 3 HN ARG 3 6.404 2.351 10.766
19 HA ARG 3 HA ARG 3 6.874 4.006 8.427
20 HB2 ARG 3 HB2 ARG 3 5.697 4.911 10.563
21 HB3 ARG 3 HB1 ARG 3 7.312 4.805 11.354
22 HG2 ARG 3 HG2 ARG 3 8.274 6.412 9.769
23 HG3 ARG 3 HG1 ARG 3 6.784 6.395 8.767
24 HD2 ARG 3 HD2 ARG 3 6.769 8.447 10.131
25 HD3 ARG 3 HD1 ARG 3 5.511 7.329 10.825
26 HE ARG 3 HE ARG 3 8.039 6.854 12.139
27 HH11 ARG 3 HH11 ARG 3 5.441 9.265 11.792
28 HH12 ARG 3 HH12 ARG 3 5.640 9.937 13.376
29 HH21 ARG 3 HH21 ARG 3 8.312 7.768 14.295
30 HH22 ARG 3 HH22 ARG 3 7.302 9.071 14.822
31 H LEU 4 HN LEU 4 8.625 1.770 10.288
32 HA LEU 4 HA LEU 4 11.041 3.080 10.621
33 HB2 LEU 4 HB2 LEU 4 10.143 0.244 10.532
34 HB3 LEU 4 HB1 LEU 4 11.813 0.466 9.899
35 HG LEU 4 HG LEU 4 11.669 -0.045 12.369
36 HD11 LEU 4 HD11 LEU 4 13.113 2.311 11.146
37 HD12 LEU 4 HD12 LEU 4 13.759 0.836 11.960
38 HD13 LEU 4 HD13 LEU 4 13.125 2.207 12.948
39 HD21 LEU 4 HD21 LEU 4 9.558 1.475 12.683
40 HD22 LEU 4 HD22 LEU 4 10.727 2.847 12.785
41 HD23 LEU 4 HD23 LEU 4 10.816 1.494 13.976
42 H SER 5 HN SER 5 9.460 1.795 7.694
43 HA SER 5 HA SER 5 11.892 2.054 6.172
44 HB2 SER 5 HB2 SER 5 8.948 1.697 5.311
45 HB3 SER 5 HB1 SER 5 10.334 1.784 4.151
46 HG SER 5 HG SER 5 9.852 -0.333 4.620
47 H LYS 6 HN LYS 6 12.141 4.279 7.247
48 HA LYS 6 HA LYS 6 10.874 6.253 5.503
49 HB2 LYS 6 HB2 LYS 6 9.632 6.632 7.540
50 HB3 LYS 6 HB1 LYS 6 11.058 6.193 8.548
51 HG2 LYS 6 HG2 LYS 6 10.437 8.670 8.562
52 HG3 LYS 6 HG1 LYS 6 12.143 8.310 8.141
53 HD2 LYS 6 HD2 LYS 6 11.305 8.426 5.643
54 HD3 LYS 6 HD1 LYS 6 9.862 9.242 6.324
55 HE2 LYS 6 HE2 LYS 6 11.068 11.188 6.153
56 HE3 LYS 6 HE1 LYS 6 12.025 10.594 7.568
57 H PHE 7 HN PHE 7 13.232 5.660 8.106
58 HA PHE 7 HA PHE 7 14.918 7.717 7.603
59 HB2 PHE 7 HB2 PHE 7 15.564 4.852 8.392
60 HB3 PHE 7 HB1 PHE 7 16.614 6.281 8.724
61 HD1 PHE 7 HD1 PHE 7 13.983 4.195 9.791
62 HD2 PHE 7 HD2 PHE 7 15.625 8.091 10.182
63 HE1 PHE 7 HE1 PHE 7 12.764 4.496 11.879
64 HE2 PHE 7 HE2 PHE 7 14.402 8.384 12.281
65 HZ PHE 7 HZ PHE 7 12.986 6.574 13.088
66 H PHE 8 HN PHE 8 14.828 4.438 5.979
67 HA PHE 8 HA PHE 8 16.995 5.435 4.338
68 HB2 PHE 8 HB2 PHE 8 16.402 2.867 3.354
69 HB3 PHE 8 HB1 PHE 8 17.760 3.298 4.457
70 HD1 PHE 8 HD1 PHE 8 14.644 1.553 4.088
71 HD2 PHE 8 HD2 PHE 8 17.390 3.150 6.903
72 HE1 PHE 8 HE1 PHE 8 13.689 0.127 5.829
73 HE2 PHE 8 HE2 PHE 8 16.437 1.729 8.637
74 HZ PHE 8 HZ PHE 8 14.586 0.212 8.104
75 H ARG 9 HN ARG 9 13.531 5.012 4.322
76 HA ARG 9 HA ARG 9 13.246 4.663 1.553
77 HB2 ARG 9 HB2 ARG 9 11.358 4.360 3.208
78 HB3 ARG 9 HB1 ARG 9 11.370 6.138 3.475
79 HG2 ARG 9 HG2 ARG 9 10.066 6.470 1.678
80 HG3 ARG 9 HG1 ARG 9 11.247 5.623 0.608
81 HD2 ARG 9 HD2 ARG 9 10.191 3.460 1.007
82 HD3 ARG 9 HD1 ARG 9 9.184 4.128 2.364
83 HE ARG 9 HE ARG 9 7.731 5.121 0.759
84 HH11 ARG 9 HH11 ARG 9 10.680 3.827 -0.774
85 HH12 ARG 9 HH12 ARG 9 10.086 3.976 -2.394
86 HH21 ARG 9 HH21 ARG 9 6.931 5.322 -1.442
87 HH22 ARG 9 HH22 ARG 9 7.920 4.840 -2.778
88 H ASN 10 HN ASN 10 13.606 7.511 3.715
89 HA ASN 10 HA ASN 10 13.108 9.424 1.746
90 HB2 ASN 10 HB2 ASN 10 14.906 9.528 4.241
91 HB3 ASN 10 HB1 ASN 10 14.547 10.965 3.212
92 HD21 ASN 10 HD21 ASN 10 13.824 10.038 6.135
93 H PHE 11 HN PHE 11 16.074 7.567 2.670
94 HA PHE 11 HA PHE 11 17.746 9.056 0.952
95 HB2 PHE 11 HB2 PHE 11 17.945 6.295 2.269
96 HB3 PHE 11 HB1 PHE 11 19.096 6.729 0.941
97 HD1 PHE 11 HD1 PHE 11 18.603 6.762 4.403
98 HD2 PHE 11 HD2 PHE 11 20.178 9.119 1.236
99 HE1 PHE 11 HE1 PHE 11 20.025 7.958 5.997
100 HE2 PHE 11 HE2 PHE 11 21.595 10.311 2.832
101 HZ PHE 11 HZ PHE 11 21.525 9.735 5.216
102 H ILE 12 HN ILE 12 16.082 5.820 0.601
103 HA ILE 12 HA ILE 12 14.972 6.215 -1.791
104 HB ILE 12 HB ILE 12 17.015 6.646 -2.979
105 HG12 ILE 12 HG12 ILE 12 17.271 4.573 -4.424
106 HG13 ILE 12 HG11 ILE 12 16.160 3.719 -3.305
107 HG21 ILE 12 HG21 ILE 12 18.942 6.032 -1.916
108 HG22 ILE 12 HG22 ILE 12 18.701 4.394 -2.631
109 HG23 ILE 12 HG23 ILE 12 18.109 4.746 -0.965
110 HD11 ILE 12 HD11 ILE 12 15.012 6.317 -4.149
111 HD12 ILE 12 HD12 ILE 12 14.323 4.656 -4.295
112 HD13 ILE 12 HD13 ILE 12 15.430 5.290 -5.570
113 H LEU 13 HN LEU 13 13.632 4.484 -2.060
114 HA LEU 13 HA LEU 13 14.625 1.906 -1.207
115 HB2 LEU 13 HB2 LEU 13 12.412 3.414 0.138
116 HB3 LEU 13 HB1 LEU 13 11.957 1.757 -0.393
117 HG LEU 13 HG LEU 13 14.384 2.455 1.354
118 HD11 LEU 13 HD11 LEU 13 11.540 2.084 2.029
119 HD12 LEU 13 HD12 LEU 13 12.922 2.575 3.080
120 HD13 LEU 13 HD13 LEU 13 12.561 0.826 2.823
121 HD21 LEU 13 HD21 LEU 13 13.463 -0.070 -0.003
122 HD22 LEU 13 HD22 LEU 13 13.923 -0.246 1.734
123 HD23 LEU 13 HD23 LEU 13 15.107 0.430 0.551
124 H GLN 14 HN GLN 14 13.888 0.269 -2.533
125 HA GLN 14 HA GLN 14 11.712 0.954 -4.339
126 HB2 GLN 14 HB2 GLN 14 14.465 -0.139 -5.183
127 HB3 GLN 14 HB1 GLN 14 12.998 -0.221 -6.225
128 HG2 GLN 14 HG2 GLN 14 12.824 2.282 -6.192
129 HG3 GLN 14 HG1 GLN 14 14.311 2.365 -5.166
130 HE21 GLN 14 HE21 GLN 14 15.881 3.174 -6.521
131 HE22 GLN 14 HE22 GLN 14 16.311 2.503 -8.058
132 H ARG 15 HN ARG 15 11.053 -0.365 -2.277
133 HA ARG 15 HA ARG 15 11.894 -3.014 -2.129
134 HB2 ARG 15 HB2 ARG 15 9.270 -1.698 -1.233
135 HB3 ARG 15 HB1 ARG 15 9.684 -3.410 -0.873
136 HG2 ARG 15 HG2 ARG 15 11.421 -1.012 -0.031
137 HG3 ARG 15 HG1 ARG 15 10.157 -1.751 1.010
138 HD2 ARG 15 HD2 ARG 15 12.577 -3.304 -0.151
139 HD3 ARG 15 HD1 ARG 15 12.487 -2.616 1.530
140 HE ARG 15 HE ARG 15 10.149 -4.188 1.183
141 HH11 ARG 15 HH11 ARG 15 13.688 -4.575 1.127
142 HH12 ARG 15 HH12 ARG 15 13.674 -6.213 1.687
143 HH21 ARG 15 HH21 ARG 15 10.127 -6.417 1.945
144 HH22 ARG 15 HH22 ARG 15 11.613 -7.278 2.159
145 H LYS 16 HN LYS 16 9.242 -1.359 -3.896
146 HA LYS 16 HA LYS 16 8.617 -3.937 -5.139
147 HB2 LYS 16 HB2 LYS 16 7.084 -1.297 -4.879
148 HB3 LYS 16 HB1 LYS 16 6.670 -2.473 -6.174
149 HG2 LYS 16 HG2 LYS 16 6.728 -3.166 -3.175
150 HG3 LYS 16 HG1 LYS 16 5.255 -2.639 -4.057
151 HD2 LYS 16 HD2 LYS 16 6.951 -5.093 -4.840
152 HD3 LYS 16 HD1 LYS 16 5.515 -5.164 -3.763
153 HE2 LYS 16 HE2 LYS 16 4.105 -4.183 -5.644
154 HE3 LYS 16 HE1 LYS 16 5.560 -4.260 -6.722
155 HZ1 LYS 16 HZ1 LYS 16 3.871 -6.389 -5.677
156 HZ2 LYS 16 HZ2 LYS 16 5.533 -6.722 -5.777
157 HZ3 LYS 16 HZ3 LYS 16 4.678 -6.242 -7.163
158 H LYS 17 HN LYS 17 10.575 -3.926 -6.453
159 HA LYS 17 HA LYS 17 10.658 -1.702 -8.349
160 HB2 LYS 17 HB2 LYS 17 12.803 -2.328 -7.118
161 HB3 LYS 17 HB1 LYS 17 12.695 -3.956 -7.873
162 HG2 LYS 17 HG2 LYS 17 12.855 -2.941 -10.137
163 HG3 LYS 17 HG1 LYS 17 12.905 -1.298 -9.410
164 HD2 LYS 17 HD2 LYS 17 15.031 -1.879 -8.229
165 HD3 LYS 17 HD1 LYS 17 14.976 -3.532 -8.933
166 HE2 LYS 17 HE2 LYS 17 16.538 -2.110 -10.237
167 HE3 LYS 17 HE1 LYS 17 15.093 -2.502 -11.259
168 HZ1 LYS 17 HZ1 LYS 17 16.062 -0.060 -10.882
169 HZ2 LYS 17 HZ2 LYS 17 14.901 -0.091 -9.639
170 HZ3 LYS 17 HZ3 LYS 17 14.438 -0.392 -11.249
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 3.984 0.032 4.753
2 H2 GLU 1 HT2 GLU 1 3.806 1.283 5.889
3 H3 GLU 1 HT3 GLU 1 2.483 0.809 4.934
4 HA GLU 1 HA GLU 1 1.894 -0.378 6.679
5 HB2 GLU 1 HB2 GLU 1 2.694 -2.067 4.962
6 HB3 GLU 1 HB1 GLU 1 4.289 -2.091 5.793
7 HG2 GLU 1 HG2 GLU 1 3.213 -2.966 7.885
8 HG3 GLU 1 HG1 GLU 1 1.595 -2.916 7.077
9 H MET 2 HN MET 2 5.481 0.067 6.692
10 HA MET 2 HA MET 2 5.251 0.263 9.609
11 HB2 MET 2 HB2 MET 2 7.519 -1.045 7.992
12 HB3 MET 2 HB1 MET 2 7.635 -0.638 9.739
13 HG2 MET 2 HG2 MET 2 5.591 -2.122 10.133
14 HG3 MET 2 HG1 MET 2 5.714 -2.641 8.422
15 HE1 MET 2 HE1 MET 2 7.344 -3.764 7.333
16 HE2 MET 2 HE2 MET 2 8.696 -4.751 7.988
17 HE3 MET 2 HE3 MET 2 8.888 -2.973 7.807
18 H ARG 3 HN ARG 3 6.488 1.972 10.529
19 HA ARG 3 HA ARG 3 7.217 3.951 8.561
20 HB2 ARG 3 HB2 ARG 3 6.081 4.678 10.712
21 HB3 ARG 3 HB1 ARG 3 7.525 4.088 11.618
22 HG2 ARG 3 HG2 ARG 3 8.974 5.738 10.565
23 HG3 ARG 3 HG1 ARG 3 7.696 6.216 9.394
24 HD2 ARG 3 HD2 ARG 3 6.317 7.171 11.264
25 HD3 ARG 3 HD1 ARG 3 7.572 6.638 12.469
26 HE ARG 3 HE ARG 3 8.951 8.172 10.528
27 HH11 ARG 3 HH11 ARG 3 6.265 8.565 12.833
28 HH12 ARG 3 HH12 ARG 3 6.546 10.252 13.110
29 HH21 ARG 3 HH21 ARG 3 9.333 10.465 10.903
30 HH22 ARG 3 HH22 ARG 3 8.320 11.350 11.993
31 H LEU 4 HN LEU 4 8.757 1.316 10.158
32 HA LEU 4 HA LEU 4 11.259 2.435 10.583
33 HB2 LEU 4 HB2 LEU 4 10.724 0.117 11.361
34 HB3 LEU 4 HB1 LEU 4 10.623 -0.424 9.644
35 HG LEU 4 HG LEU 4 12.991 0.144 9.274
36 HD11 LEU 4 HD11 LEU 4 13.322 2.058 10.718
37 HD12 LEU 4 HD12 LEU 4 14.444 0.765 11.298
38 HD13 LEU 4 HD13 LEU 4 12.917 1.107 12.198
39 HD21 LEU 4 HD21 LEU 4 12.357 -2.140 10.156
40 HD22 LEU 4 HD22 LEU 4 12.707 -1.559 11.828
41 HD23 LEU 4 HD23 LEU 4 14.030 -1.635 10.603
42 H SER 5 HN SER 5 9.682 1.181 7.583
43 HA SER 5 HA SER 5 12.093 1.571 6.088
44 HB2 SER 5 HB2 SER 5 9.171 1.238 5.154
45 HB3 SER 5 HB1 SER 5 10.605 1.275 4.051
46 HG SER 5 HG SER 5 9.981 -0.826 4.567
47 H LYS 6 HN LYS 6 12.133 3.813 7.357
48 HA LYS 6 HA LYS 6 10.894 5.774 5.550
49 HB2 LYS 6 HB2 LYS 6 9.798 6.010 7.772
50 HB3 LYS 6 HB1 LYS 6 11.422 5.969 8.569
51 HG2 LYS 6 HG2 LYS 6 11.218 8.059 6.450
52 HG3 LYS 6 HG1 LYS 6 10.002 8.282 7.748
53 HD2 LYS 6 HD2 LYS 6 11.682 8.533 9.431
54 HD3 LYS 6 HD1 LYS 6 12.962 7.810 8.399
55 HE2 LYS 6 HE2 LYS 6 11.567 10.387 7.485
56 HE3 LYS 6 HE1 LYS 6 12.857 10.464 8.747
57 H PHE 7 HN PHE 7 13.448 5.038 7.936
58 HA PHE 7 HA PHE 7 15.005 7.216 7.480
59 HB2 PHE 7 HB2 PHE 7 15.796 4.336 8.046
60 HB3 PHE 7 HB1 PHE 7 16.843 5.774 8.356
61 HD1 PHE 7 HD1 PHE 7 14.257 3.636 9.496
62 HD2 PHE 7 HD2 PHE 7 16.034 7.456 10.011
63 HE1 PHE 7 HE1 PHE 7 13.194 3.835 11.680
64 HE2 PHE 7 HE2 PHE 7 14.961 7.646 12.204
65 HZ PHE 7 HZ PHE 7 13.552 5.822 12.990
66 H PHE 8 HN PHE 8 14.878 4.091 5.576
67 HA PHE 8 HA PHE 8 16.943 5.239 3.936
68 HB2 PHE 8 HB2 PHE 8 16.181 3.012 2.496
69 HB3 PHE 8 HB1 PHE 8 17.498 3.035 3.722
70 HD1 PHE 8 HD1 PHE 8 14.262 1.753 2.832
71 HD2 PHE 8 HD2 PHE 8 16.962 2.386 6.047
72 HE1 PHE 8 HE1 PHE 8 13.088 0.067 4.157
73 HE2 PHE 8 HE2 PHE 8 15.788 0.710 7.366
74 HZ PHE 8 HZ PHE 8 13.848 -0.458 6.426
75 H ARG 9 HN ARG 9 13.469 5.053 4.110
76 HA ARG 9 HA ARG 9 12.968 5.370 1.359
77 HB2 ARG 9 HB2 ARG 9 11.241 4.816 3.208
78 HB3 ARG 9 HB1 ARG 9 11.306 6.562 3.633
79 HG2 ARG 9 HG2 ARG 9 9.940 7.114 1.936
80 HG3 ARG 9 HG1 ARG 9 10.959 6.233 0.736
81 HD2 ARG 9 HD2 ARG 9 8.875 5.065 0.612
82 HD3 ARG 9 HD1 ARG 9 9.821 4.058 1.793
83 HE ARG 9 HE ARG 9 8.416 4.831 3.548
84 HH11 ARG 9 HH11 ARG 9 7.823 6.606 0.510
85 HH12 ARG 9 HH12 ARG 9 6.359 7.352 1.055
86 HH21 ARG 9 HH21 ARG 9 6.429 5.849 4.283
87 HH22 ARG 9 HH22 ARG 9 5.554 6.915 3.237
88 H ASN 10 HN ASN 10 13.695 7.538 4.097
89 HA ASN 10 HA ASN 10 13.222 9.953 2.805
90 HB2 ASN 10 HB2 ASN 10 15.230 9.183 5.012
91 HB3 ASN 10 HB1 ASN 10 14.956 10.882 4.480
92 HD21 ASN 10 HD21 ASN 10 14.469 9.482 7.156
93 H PHE 11 HN PHE 11 16.051 7.707 2.843
94 HA PHE 11 HA PHE 11 17.682 9.504 1.360
95 HB2 PHE 11 HB2 PHE 11 17.817 6.503 2.008
96 HB3 PHE 11 HB1 PHE 11 18.899 7.202 0.736
97 HD1 PHE 11 HD1 PHE 11 18.610 6.450 4.147
98 HD2 PHE 11 HD2 PHE 11 20.148 9.388 1.492
99 HE1 PHE 11 HE1 PHE 11 20.193 7.177 5.866
100 HE2 PHE 11 HE2 PHE 11 21.728 10.112 3.212
101 HZ PHE 11 HZ PHE 11 21.757 9.009 5.403
102 H ILE 12 HN ILE 12 16.020 6.384 0.505
103 HA ILE 12 HA ILE 12 14.599 7.248 -1.636
104 HB ILE 12 HB ILE 12 16.027 5.935 -3.451
105 HG12 ILE 12 HG12 ILE 12 18.508 7.167 -2.881
106 HG13 ILE 12 HG11 ILE 12 18.024 6.441 -1.312
107 HG21 ILE 12 HG21 ILE 12 17.147 8.660 -3.368
108 HG22 ILE 12 HG22 ILE 12 15.400 8.660 -2.921
109 HG23 ILE 12 HG23 ILE 12 15.929 7.939 -4.486
110 HD11 ILE 12 HD11 ILE 12 18.733 5.090 -3.918
111 HD12 ILE 12 HD12 ILE 12 17.386 4.348 -2.972
112 HD13 ILE 12 HD13 ILE 12 19.012 4.556 -2.216
113 H LEU 13 HN LEU 13 13.231 5.506 -2.137
114 HA LEU 13 HA LEU 13 14.288 2.877 -1.480
115 HB2 LEU 13 HB2 LEU 13 12.896 3.615 0.492
116 HB3 LEU 13 HB1 LEU 13 11.530 3.947 -0.629
117 HG LEU 13 HG LEU 13 11.489 1.542 -1.291
118 HD11 LEU 13 HD11 LEU 13 13.494 0.454 -1.002
119 HD12 LEU 13 HD12 LEU 13 12.828 0.086 0.634
120 HD13 LEU 13 HD13 LEU 13 13.970 1.466 0.414
121 HD21 LEU 13 HD21 LEU 13 9.944 2.237 0.453
122 HD22 LEU 13 HD22 LEU 13 11.231 2.154 1.716
123 HD23 LEU 13 HD23 LEU 13 10.631 0.640 0.938
124 H GLN 14 HN GLN 14 13.957 1.505 -3.184
125 HA GLN 14 HA GLN 14 11.672 2.095 -4.896
126 HB2 GLN 14 HB2 GLN 14 14.564 1.608 -5.834
127 HB3 GLN 14 HB1 GLN 14 13.128 1.486 -6.915
128 HG2 GLN 14 HG2 GLN 14 12.596 3.864 -6.603
129 HG3 GLN 14 HG1 GLN 14 13.882 4.031 -5.343
130 HE21 GLN 14 HE21 GLN 14 13.614 5.435 -7.988
131 HE22 GLN 14 HE22 GLN 14 15.068 5.086 -8.861
132 H ARG 15 HN ARG 15 12.168 0.295 -2.677
133 HA ARG 15 HA ARG 15 12.830 -2.202 -3.896
134 HB2 ARG 15 HB2 ARG 15 11.926 -1.374 -1.104
135 HB3 ARG 15 HB1 ARG 15 11.889 -3.105 -1.588
136 HG2 ARG 15 HG2 ARG 15 14.419 -1.394 -1.889
137 HG3 ARG 15 HG1 ARG 15 14.008 -2.221 -0.348
138 HD2 ARG 15 HD2 ARG 15 14.230 -3.705 -3.058
139 HD3 ARG 15 HD1 ARG 15 15.594 -3.552 -1.863
140 HE ARG 15 HE ARG 15 13.337 -4.525 -0.423
141 HH11 ARG 15 HH11 ARG 15 15.447 -5.470 -3.133
142 HH12 ARG 15 HH12 ARG 15 15.300 -7.174 -2.857
143 HH21 ARG 15 HH21 ARG 15 13.139 -6.842 -0.044
144 HH22 ARG 15 HH22 ARG 15 13.966 -7.966 -1.071
145 H LYS 16 HN LYS 16 11.090 -1.841 -5.631
146 HA LYS 16 HA LYS 16 8.406 -2.217 -4.600
147 HB2 LYS 16 HB2 LYS 16 9.388 -2.154 -7.515
148 HB3 LYS 16 HB1 LYS 16 7.675 -2.090 -6.970
149 HG2 LYS 16 HG2 LYS 16 9.822 0.040 -6.377
150 HG3 LYS 16 HG1 LYS 16 8.563 0.151 -7.653
151 HD2 LYS 16 HD2 LYS 16 6.781 0.010 -5.876
152 HD3 LYS 16 HD1 LYS 16 8.062 -0.042 -4.616
153 HE2 LYS 16 HE2 LYS 16 8.874 2.225 -5.341
154 HE3 LYS 16 HE1 LYS 16 7.575 2.278 -6.604
155 HZ1 LYS 16 HZ1 LYS 16 6.172 2.953 -5.089
156 HZ2 LYS 16 HZ2 LYS 16 7.418 3.005 -3.936
157 HZ3 LYS 16 HZ3 LYS 16 6.467 1.607 -4.098
158 H LYS 17 HN LYS 17 8.726 -4.314 -3.590
159 HA LYS 17 HA LYS 17 9.105 -6.431 -5.597
160 HB2 LYS 17 HB2 LYS 17 9.779 -6.264 -2.622
161 HB3 LYS 17 HB1 LYS 17 9.430 -7.862 -3.371
162 HG2 LYS 17 HG2 LYS 17 11.475 -5.986 -4.651
163 HG3 LYS 17 HG1 LYS 17 11.927 -6.973 -3.219
164 HD2 LYS 17 HD2 LYS 17 11.200 -9.050 -4.446
165 HD3 LYS 17 HD1 LYS 17 10.805 -8.049 -5.884
166 HE2 LYS 17 HE2 LYS 17 13.621 -8.138 -4.612
167 HE3 LYS 17 HE1 LYS 17 13.094 -9.211 -5.975
168 HZ1 LYS 17 HZ1 LYS 17 13.507 -7.581 -7.347
169 HZ2 LYS 17 HZ2 LYS 17 14.020 -6.584 -6.071
170 HZ3 LYS 17 HZ3 LYS 17 12.396 -6.560 -6.569
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 3.640 0.734 6.494
2 H2 GLU 1 HT2 GLU 1 2.173 0.221 5.811
3 H3 GLU 1 HT3 GLU 1 3.550 -0.768 5.705
4 HA GLU 1 HA GLU 1 1.659 -0.437 7.833
5 HB2 GLU 1 HB2 GLU 1 3.791 -2.569 7.228
6 HB3 GLU 1 HB1 GLU 1 2.454 -2.747 8.417
7 HG2 GLU 1 HG2 GLU 1 2.043 -2.322 5.376
8 HG3 GLU 1 HG1 GLU 1 1.993 -3.922 6.214
9 H MET 2 HN MET 2 5.253 -0.400 7.462
10 HA MET 2 HA MET 2 5.347 0.349 10.303
11 HB2 MET 2 HB2 MET 2 7.561 -0.950 8.605
12 HB3 MET 2 HB1 MET 2 7.712 -0.462 10.330
13 HG2 MET 2 HG2 MET 2 5.798 -2.602 9.224
14 HG3 MET 2 HG1 MET 2 7.358 -2.917 10.045
15 HE1 MET 2 HE1 MET 2 4.721 -4.239 12.551
16 HE2 MET 2 HE2 MET 2 6.099 -4.583 11.448
17 HE3 MET 2 HE3 MET 2 4.490 -4.158 10.769
18 H ARG 3 HN ARG 3 6.393 2.287 10.801
19 HA ARG 3 HA ARG 3 6.911 3.940 8.485
20 HB2 ARG 3 HB2 ARG 3 5.744 4.858 10.605
21 HB3 ARG 3 HB1 ARG 3 7.340 4.699 11.428
22 HG2 ARG 3 HG2 ARG 3 8.378 6.299 9.887
23 HG3 ARG 3 HG1 ARG 3 6.913 6.336 8.851
24 HD2 ARG 3 HD2 ARG 3 5.603 7.410 10.713
25 HD3 ARG 3 HD1 ARG 3 7.072 7.339 11.784
26 HE ARG 3 HE ARG 3 8.020 9.132 10.538
27 HH11 ARG 3 HH11 ARG 3 5.136 7.804 8.910
28 HH12 ARG 3 HH12 ARG 3 5.040 9.063 7.724
29 HH21 ARG 3 HH21 ARG 3 7.885 10.835 8.925
30 HH22 ARG 3 HH22 ARG 3 6.630 10.813 7.733
31 H LEU 4 HN LEU 4 8.658 1.703 10.380
32 HA LEU 4 HA LEU 4 11.081 2.990 10.691
33 HB2 LEU 4 HB2 LEU 4 10.140 0.258 10.861
34 HB3 LEU 4 HB1 LEU 4 11.605 0.259 9.817
35 HG LEU 4 HG LEU 4 12.121 -0.122 12.224
36 HD11 LEU 4 HD11 LEU 4 13.935 1.664 12.427
37 HD12 LEU 4 HD12 LEU 4 13.228 2.471 10.975
38 HD13 LEU 4 HD13 LEU 4 13.900 0.801 10.843
39 HD21 LEU 4 HD21 LEU 4 11.630 1.354 13.969
40 HD22 LEU 4 HD22 LEU 4 10.181 1.600 12.923
41 HD23 LEU 4 HD23 LEU 4 11.534 2.794 12.887
42 H SER 5 HN SER 5 9.494 1.722 7.758
43 HA SER 5 HA SER 5 11.933 2.001 6.243
44 HB2 SER 5 HB2 SER 5 9.001 1.488 5.441
45 HB3 SER 5 HB1 SER 5 10.313 1.744 4.221
46 HG SER 5 HG SER 5 9.738 -0.478 4.976
47 H LYS 6 HN LYS 6 12.162 4.244 7.264
48 HA LYS 6 HA LYS 6 10.850 6.163 5.495
49 HB2 LYS 6 HB2 LYS 6 9.578 6.559 7.504
50 HB3 LYS 6 HB1 LYS 6 10.989 6.135 8.539
51 HG2 LYS 6 HG2 LYS 6 10.340 8.603 8.541
52 HG3 LYS 6 HG1 LYS 6 12.058 8.261 8.161
53 HD2 LYS 6 HD2 LYS 6 11.266 8.380 5.639
54 HD3 LYS 6 HD1 LYS 6 9.815 9.198 6.302
55 HE2 LYS 6 HE2 LYS 6 11.031 11.142 6.172
56 HE3 LYS 6 HE1 LYS 6 11.965 10.530 7.593
57 H PHE 7 HN PHE 7 13.211 5.659 8.120
58 HA PHE 7 HA PHE 7 14.838 7.761 7.613
59 HB2 PHE 7 HB2 PHE 7 15.570 4.918 8.409
60 HB3 PHE 7 HB1 PHE 7 16.576 6.380 8.739
61 HD1 PHE 7 HD1 PHE 7 14.013 4.215 9.810
62 HD2 PHE 7 HD2 PHE 7 15.521 8.166 10.189
63 HE1 PHE 7 HE1 PHE 7 12.781 4.482 11.896
64 HE2 PHE 7 HE2 PHE 7 14.285 8.425 12.285
65 HZ PHE 7 HZ PHE 7 12.930 6.573 13.097
66 H PHE 8 HN PHE 8 14.849 4.478 5.998
67 HA PHE 8 HA PHE 8 16.982 5.527 4.354
68 HB2 PHE 8 HB2 PHE 8 16.653 3.032 3.306
69 HB3 PHE 8 HB1 PHE 8 17.745 3.381 4.695
70 HD1 PHE 8 HD1 PHE 8 14.634 1.841 3.613
71 HD2 PHE 8 HD2 PHE 8 17.055 2.881 6.939
72 HE1 PHE 8 HE1 PHE 8 13.369 0.297 5.024
73 HE2 PHE 8 HE2 PHE 8 15.795 1.342 8.341
74 HZ PHE 8 HZ PHE 8 13.951 0.039 7.388
75 H ARG 9 HN ARG 9 13.552 5.198 4.369
76 HA ARG 9 HA ARG 9 13.225 4.798 1.591
77 HB2 ARG 9 HB2 ARG 9 11.380 4.529 3.352
78 HB3 ARG 9 HB1 ARG 9 11.360 6.323 3.476
79 HG2 ARG 9 HG2 ARG 9 11.145 5.135 0.703
80 HG3 ARG 9 HG1 ARG 9 9.732 4.927 1.812
81 HD2 ARG 9 HD2 ARG 9 9.817 7.470 2.231
82 HD3 ARG 9 HD1 ARG 9 11.045 7.558 0.894
83 HE ARG 9 HE ARG 9 8.779 6.077 -0.066
84 HH11 ARG 9 HH11 ARG 9 9.720 9.335 1.020
85 HH12 ARG 9 HH12 ARG 9 8.579 10.168 0.017
86 HH21 ARG 9 HH21 ARG 9 7.226 7.207 -1.432
87 HH22 ARG 9 HH22 ARG 9 7.136 8.935 -1.401
88 H ASN 10 HN ASN 10 13.616 7.623 3.763
89 HA ASN 10 HA ASN 10 13.123 9.543 1.802
90 HB2 ASN 10 HB2 ASN 10 14.921 9.633 4.297
91 HB3 ASN 10 HB1 ASN 10 14.572 11.075 3.269
92 HD21 ASN 10 HD21 ASN 10 13.764 9.875 6.171
93 H PHE 11 HN PHE 11 16.069 7.645 2.691
94 HA PHE 11 HA PHE 11 17.740 9.113 0.952
95 HB2 PHE 11 HB2 PHE 11 17.909 6.333 2.235
96 HB3 PHE 11 HB1 PHE 11 19.053 6.773 0.904
97 HD1 PHE 11 HD1 PHE 11 18.592 6.756 4.371
98 HD2 PHE 11 HD2 PHE 11 20.175 9.142 1.231
99 HE1 PHE 11 HE1 PHE 11 20.043 7.905 5.974
100 HE2 PHE 11 HE2 PHE 11 21.622 10.288 2.835
101 HZ PHE 11 HZ PHE 11 21.562 9.672 5.209
102 H ILE 12 HN ILE 12 16.020 5.897 0.612
103 HA ILE 12 HA ILE 12 14.831 6.320 -1.729
104 HB ILE 12 HB ILE 12 16.905 6.775 -2.936
105 HG12 ILE 12 HG12 ILE 12 16.966 4.794 -4.520
106 HG13 ILE 12 HG11 ILE 12 15.840 3.943 -3.413
107 HG21 ILE 12 HG21 ILE 12 18.842 5.271 -2.863
108 HG22 ILE 12 HG22 ILE 12 17.942 4.067 -1.869
109 HG23 ILE 12 HG23 ILE 12 18.392 5.664 -1.163
110 HD11 ILE 12 HD11 ILE 12 15.141 5.708 -5.544
111 HD12 ILE 12 HD12 ILE 12 14.834 6.655 -4.039
112 HD13 ILE 12 HD13 ILE 12 14.038 5.053 -4.275
113 H LEU 13 HN LEU 13 13.557 4.546 -2.129
114 HA LEU 13 HA LEU 13 14.541 1.999 -1.161
115 HB2 LEU 13 HB2 LEU 13 12.127 3.470 -0.145
116 HB3 LEU 13 HB1 LEU 13 11.822 1.769 -0.643
117 HG LEU 13 HG LEU 13 14.008 2.653 1.321
118 HD11 LEU 13 HD11 LEU 13 12.520 2.564 3.034
119 HD12 LEU 13 HD12 LEU 13 11.805 1.017 2.441
120 HD13 LEU 13 HD13 LEU 13 11.217 2.592 1.787
121 HD21 LEU 13 HD21 LEU 13 13.651 0.006 1.857
122 HD22 LEU 13 HD22 LEU 13 14.824 0.599 0.623
123 HD23 LEU 13 HD23 LEU 13 13.204 -0.010 0.108
124 H GLN 14 HN GLN 14 13.801 0.251 -2.411
125 HA GLN 14 HA GLN 14 12.001 0.964 -4.588
126 HB2 GLN 14 HB2 GLN 14 14.721 -0.448 -4.872
127 HB3 GLN 14 HB1 GLN 14 13.438 -0.501 -6.136
128 HG2 GLN 14 HG2 GLN 14 13.546 1.931 -6.458
129 HG3 GLN 14 HG1 GLN 14 14.677 2.113 -5.060
130 HE21 GLN 14 HE21 GLN 14 15.114 2.812 -7.943
131 HE22 GLN 14 HE22 GLN 14 16.504 1.913 -8.449
132 H ARG 15 HN ARG 15 10.969 -0.088 -2.488
133 HA ARG 15 HA ARG 15 11.439 -2.797 -2.073
134 HB2 ARG 15 HB2 ARG 15 8.913 -1.122 -1.590
135 HB3 ARG 15 HB1 ARG 15 9.084 -2.831 -1.057
136 HG2 ARG 15 HG2 ARG 15 10.927 -0.524 -0.180
137 HG3 ARG 15 HG1 ARG 15 9.529 -1.144 0.766
138 HD2 ARG 15 HD2 ARG 15 10.655 -3.461 0.768
139 HD3 ARG 15 HD1 ARG 15 12.118 -2.669 0.031
140 HE ARG 15 HE ARG 15 11.308 -1.170 2.359
141 HH11 ARG 15 HH11 ARG 15 12.694 -4.292 1.350
142 HH12 ARG 15 HH12 ARG 15 13.589 -4.542 2.812
143 HH21 ARG 15 HH21 ARG 15 12.520 -1.511 4.350
144 HH22 ARG 15 HH22 ARG 15 13.488 -2.933 4.546
145 H LYS 16 HN LYS 16 9.239 -0.986 -4.262
146 HA LYS 16 HA LYS 16 8.235 -3.527 -5.262
147 HB2 LYS 16 HB2 LYS 16 7.556 -0.669 -6.178
148 HB3 LYS 16 HB1 LYS 16 6.701 -2.174 -6.665
149 HG2 LYS 16 HG2 LYS 16 6.825 -1.029 -3.807
150 HG3 LYS 16 HG1 LYS 16 5.444 -0.865 -4.943
151 HD2 LYS 16 HD2 LYS 16 5.214 -3.372 -4.994
152 HD3 LYS 16 HD1 LYS 16 6.565 -3.508 -3.817
153 HE2 LYS 16 HE2 LYS 16 5.229 -2.196 -2.132
154 HE3 LYS 16 HE1 LYS 16 3.864 -2.083 -3.320
155 HZ1 LYS 16 HZ1 LYS 16 4.606 -4.749 -3.176
156 HZ2 LYS 16 HZ2 LYS 16 3.201 -4.012 -2.571
157 HZ3 LYS 16 HZ3 LYS 16 4.564 -4.185 -1.575
158 H LYS 17 HN LYS 17 10.255 -4.304 -6.177
159 HA LYS 17 HA LYS 17 11.352 -2.611 -8.269
160 HB2 LYS 17 HB2 LYS 17 12.846 -3.931 -6.603
161 HB3 LYS 17 HB1 LYS 17 12.268 -5.418 -7.431
162 HG2 LYS 17 HG2 LYS 17 13.221 -4.678 -9.566
163 HG3 LYS 17 HG1 LYS 17 13.648 -3.076 -8.871
164 HD2 LYS 17 HD2 LYS 17 15.678 -4.384 -8.934
165 HD3 LYS 17 HD1 LYS 17 15.169 -4.288 -7.214
166 HE2 LYS 17 HE2 LYS 17 14.222 -6.592 -7.330
167 HE3 LYS 17 HE1 LYS 17 14.635 -6.689 -9.093
168 HZ1 LYS 17 HZ1 LYS 17 16.639 -7.318 -8.540
169 HZ2 LYS 17 HZ2 LYS 17 16.233 -7.271 -6.891
170 HZ3 LYS 17 HZ3 LYS 17 16.908 -5.904 -7.639
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 0.876 -1.354 9.119
2 H2 GLU 1 HT2 GLU 1 2.457 -1.131 8.541
3 H3 GLU 1 HT3 GLU 1 1.137 -0.521 7.663
4 HA GLU 1 HA GLU 1 1.573 1.384 8.650
5 HB2 GLU 1 HB2 GLU 1 0.511 -0.127 11.112
6 HB3 GLU 1 HB1 GLU 1 0.515 1.660 10.913
7 HG2 GLU 1 HG2 GLU 1 -1.057 -0.336 9.142
8 HG3 GLU 1 HG1 GLU 1 -1.752 0.695 10.453
9 H MET 2 HN MET 2 4.039 0.581 8.414
10 HA MET 2 HA MET 2 5.159 0.801 11.122
11 HB2 MET 2 HB2 MET 2 6.395 -0.600 8.678
12 HB3 MET 2 HB1 MET 2 7.183 -0.411 10.284
13 HG2 MET 2 HG2 MET 2 4.593 -1.978 9.728
14 HG3 MET 2 HG1 MET 2 6.224 -2.693 9.924
15 HE1 MET 2 HE1 MET 2 4.300 -3.886 13.068
16 HE2 MET 2 HE2 MET 2 5.171 -4.309 11.554
17 HE3 MET 2 HE3 MET 2 3.563 -3.511 11.471
18 H ARG 3 HN ARG 3 6.678 2.438 11.424
19 HA ARG 3 HA ARG 3 6.958 4.199 9.113
20 HB2 ARG 3 HB2 ARG 3 6.339 5.107 11.481
21 HB3 ARG 3 HB1 ARG 3 8.033 4.696 11.938
22 HG2 ARG 3 HG2 ARG 3 8.935 6.251 10.264
23 HG3 ARG 3 HG1 ARG 3 7.300 6.546 9.584
24 HD2 ARG 3 HD2 ARG 3 7.886 8.460 11.014
25 HD3 ARG 3 HD1 ARG 3 6.623 7.496 11.902
26 HE ARG 3 HE ARG 3 9.244 6.538 12.643
27 HH11 ARG 3 HH11 ARG 3 7.078 9.349 12.944
28 HH12 ARG 3 HH12 ARG 3 7.699 9.859 14.479
29 HH21 ARG 3 HH21 ARG 3 10.088 7.229 14.731
30 HH22 ARG 3 HH22 ARG 3 9.440 8.632 15.511
31 H LEU 4 HN LEU 4 8.524 1.527 10.391
32 HA LEU 4 HA LEU 4 11.166 2.342 10.485
33 HB2 LEU 4 HB2 LEU 4 9.803 -0.163 10.592
34 HB3 LEU 4 HB1 LEU 4 10.924 -0.302 9.192
35 HG LEU 4 HG LEU 4 11.977 -1.104 11.270
36 HD11 LEU 4 HD11 LEU 4 13.326 0.067 9.427
37 HD12 LEU 4 HD12 LEU 4 14.100 0.055 11.058
38 HD13 LEU 4 HD13 LEU 4 13.301 1.554 10.448
39 HD21 LEU 4 HD21 LEU 4 12.140 1.680 12.472
40 HD22 LEU 4 HD22 LEU 4 12.136 0.063 13.272
41 HD23 LEU 4 HD23 LEU 4 10.593 0.771 12.661
42 H SER 5 HN SER 5 8.991 1.770 7.710
43 HA SER 5 HA SER 5 11.205 1.860 5.870
44 HB2 SER 5 HB2 SER 5 8.159 2.095 5.417
45 HB3 SER 5 HB1 SER 5 9.390 2.074 4.090
46 HG SER 5 HG SER 5 8.402 0.036 4.617
47 H LYS 6 HN LYS 6 12.012 3.863 7.073
48 HA LYS 6 HA LYS 6 10.895 6.191 5.724
49 HB2 LYS 6 HB2 LYS 6 9.878 6.464 7.918
50 HB3 LYS 6 HB1 LYS 6 11.355 5.818 8.723
51 HG2 LYS 6 HG2 LYS 6 10.979 8.347 8.949
52 HG3 LYS 6 HG1 LYS 6 12.594 7.849 8.345
53 HD2 LYS 6 HD2 LYS 6 11.594 8.210 5.954
54 HD3 LYS 6 HD1 LYS 6 10.253 9.067 6.781
55 HE2 LYS 6 HE2 LYS 6 11.569 10.941 6.617
56 HE3 LYS 6 HE1 LYS 6 12.564 10.220 7.944
57 H PHE 7 HN PHE 7 13.330 4.975 8.025
58 HA PHE 7 HA PHE 7 15.260 6.824 7.571
59 HB2 PHE 7 HB2 PHE 7 15.528 3.829 8.016
60 HB3 PHE 7 HB1 PHE 7 16.807 5.048 8.376
61 HD1 PHE 7 HD1 PHE 7 13.918 3.315 9.455
62 HD2 PHE 7 HD2 PHE 7 16.297 6.766 10.121
63 HE1 PHE 7 HE1 PHE 7 12.930 3.564 11.668
64 HE2 PHE 7 HE2 PHE 7 15.305 7.008 12.345
65 HZ PHE 7 HZ PHE 7 13.630 5.397 13.074
66 H PHE 8 HN PHE 8 14.565 3.777 5.667
67 HA PHE 8 HA PHE 8 16.693 4.644 3.909
68 HB2 PHE 8 HB2 PHE 8 16.111 2.388 2.682
69 HB3 PHE 8 HB1 PHE 8 17.041 2.334 4.224
70 HD1 PHE 8 HD1 PHE 8 13.799 1.724 2.624
71 HD2 PHE 8 HD2 PHE 8 16.064 1.525 6.207
72 HE1 PHE 8 HE1 PHE 8 12.108 0.272 3.619
73 HE2 PHE 8 HE2 PHE 8 14.377 0.078 7.195
74 HZ PHE 8 HZ PHE 8 12.394 -0.560 5.908
75 H ARG 9 HN ARG 9 13.269 4.815 4.252
76 HA ARG 9 HA ARG 9 12.631 4.736 1.507
77 HB2 ARG 9 HB2 ARG 9 10.961 4.589 3.466
78 HB3 ARG 9 HB1 ARG 9 11.191 6.361 3.665
79 HG2 ARG 9 HG2 ARG 9 9.715 6.788 2.027
80 HG3 ARG 9 HG1 ARG 9 10.661 5.795 0.856
81 HD2 ARG 9 HD2 ARG 9 9.417 3.794 1.378
82 HD3 ARG 9 HD1 ARG 9 8.734 4.514 2.898
83 HE ARG 9 HE ARG 9 7.168 5.754 1.585
84 HH11 ARG 9 HH11 ARG 9 9.544 4.028 -0.439
85 HH12 ARG 9 HH12 ARG 9 8.675 4.256 -1.918
86 HH21 ARG 9 HH21 ARG 9 5.993 6.058 -0.426
87 HH22 ARG 9 HH22 ARG 9 6.624 5.428 -1.910
88 H ASN 10 HN ASN 10 13.736 7.268 3.811
89 HA ASN 10 HA ASN 10 13.350 9.382 1.955
90 HB2 ASN 10 HB2 ASN 10 15.194 9.182 4.414
91 HB3 ASN 10 HB1 ASN 10 14.877 10.700 3.494
92 HD21 ASN 10 HD21 ASN 10 14.239 9.617 6.382
93 H PHE 11 HN PHE 11 15.601 6.768 2.168
94 HA PHE 11 HA PHE 11 17.641 8.287 0.742
95 HB2 PHE 11 HB2 PHE 11 17.573 5.597 2.168
96 HB3 PHE 11 HB1 PHE 11 18.714 5.794 0.779
97 HD1 PHE 11 HD1 PHE 11 17.632 7.614 3.862
98 HD2 PHE 11 HD2 PHE 11 20.800 6.565 1.235
99 HE1 PHE 11 HE1 PHE 11 19.220 8.746 5.326
100 HE2 PHE 11 HE2 PHE 11 22.392 7.699 2.708
101 HZ PHE 11 HZ PHE 11 21.608 8.792 4.761
102 H ILE 12 HN ILE 12 14.756 7.260 -0.081
103 HA ILE 12 HA ILE 12 13.838 6.774 -2.029
104 HB ILE 12 HB ILE 12 16.534 6.034 -3.223
105 HG12 ILE 12 HG12 ILE 12 16.686 8.381 -2.440
106 HG13 ILE 12 HG11 ILE 12 16.576 8.315 -4.231
107 HG21 ILE 12 HG21 ILE 12 13.674 6.386 -4.204
108 HG22 ILE 12 HG22 ILE 12 14.912 5.152 -4.651
109 HG23 ILE 12 HG23 ILE 12 15.025 6.824 -5.317
110 HD11 ILE 12 HD11 ILE 12 14.430 9.191 -2.216
111 HD12 ILE 12 HD12 ILE 12 13.987 8.687 -3.892
112 HD13 ILE 12 HD13 ILE 12 15.094 10.087 -3.634
113 H LEU 13 HN LEU 13 12.674 4.966 -2.137
114 HA LEU 13 HA LEU 13 14.100 2.473 -1.577
115 HB2 LEU 13 HB2 LEU 13 12.461 3.033 0.222
116 HB3 LEU 13 HB1 LEU 13 11.184 3.269 -1.018
117 HG LEU 13 HG LEU 13 11.372 0.870 -1.673
118 HD11 LEU 13 HD11 LEU 13 12.600 -0.572 0.258
119 HD12 LEU 13 HD12 LEU 13 13.619 0.912 0.371
120 HD13 LEU 13 HD13 LEU 13 13.485 0.028 -1.195
121 HD21 LEU 13 HD21 LEU 13 9.639 0.686 -0.234
122 HD22 LEU 13 HD22 LEU 13 10.337 1.950 0.850
123 HD23 LEU 13 HD23 LEU 13 10.808 0.219 1.060
124 H GLN 14 HN GLN 14 14.309 1.251 -3.395
125 HA GLN 14 HA GLN 14 12.025 1.245 -5.215
126 HB2 GLN 14 HB2 GLN 14 14.988 1.531 -5.998
127 HB3 GLN 14 HB1 GLN 14 13.691 1.057 -7.155
128 HG2 GLN 14 HG2 GLN 14 12.549 3.213 -6.881
129 HG3 GLN 14 HG1 GLN 14 13.674 3.688 -5.546
130 HE21 GLN 14 HE21 GLN 14 13.206 5.013 -8.204
131 HE22 GLN 14 HE22 GLN 14 14.748 5.064 -8.988
132 H ARG 15 HN ARG 15 13.263 -0.358 -2.930
133 HA ARG 15 HA ARG 15 14.528 -2.557 -4.073
134 HB2 ARG 15 HB2 ARG 15 12.920 -2.322 -1.478
135 HB3 ARG 15 HB1 ARG 15 13.796 -3.816 -1.961
136 HG2 ARG 15 HG2 ARG 15 15.148 -1.070 -1.628
137 HG3 ARG 15 HG1 ARG 15 15.041 -2.304 -0.325
138 HD2 ARG 15 HD2 ARG 15 16.289 -3.944 -1.821
139 HD3 ARG 15 HD1 ARG 15 16.475 -2.619 -3.054
140 HE ARG 15 HE ARG 15 17.392 -1.638 -0.511
141 HH11 ARG 15 HH11 ARG 15 18.174 -4.030 -3.031
142 HH12 ARG 15 HH12 ARG 15 19.884 -3.986 -2.760
143 HH21 ARG 15 HH21 ARG 15 19.717 -1.576 -0.140
144 HH22 ARG 15 HH22 ARG 15 20.776 -2.566 -1.087
145 H LYS 16 HN LYS 16 11.094 -1.735 -3.448
146 HA LYS 16 HA LYS 16 10.322 -4.328 -4.498
147 HB2 LYS 16 HB2 LYS 16 8.552 -1.957 -3.652
148 HB3 LYS 16 HB1 LYS 16 7.986 -3.620 -4.037
149 HG2 LYS 16 HG2 LYS 16 9.839 -2.861 -1.694
150 HG3 LYS 16 HG1 LYS 16 8.073 -3.170 -1.574
151 HD2 LYS 16 HD2 LYS 16 8.447 -5.514 -2.422
152 HD3 LYS 16 HD1 LYS 16 10.215 -5.195 -2.485
153 HE2 LYS 16 HE2 LYS 16 9.677 -6.416 -0.402
154 HE3 LYS 16 HE1 LYS 16 10.164 -4.723 0.026
155 HZ1 LYS 16 HZ1 LYS 16 7.374 -4.907 -0.473
156 HZ2 LYS 16 HZ2 LYS 16 8.205 -4.387 0.913
157 HZ3 LYS 16 HZ3 LYS 16 7.848 -6.034 0.704
158 H LYS 17 HN LYS 17 11.238 -4.041 -6.653
159 HA LYS 17 HA LYS 17 10.021 -1.879 -8.174
160 HB2 LYS 17 HB2 LYS 17 12.496 -2.317 -8.458
161 HB3 LYS 17 HB1 LYS 17 12.107 -3.989 -8.994
162 HG2 LYS 17 HG2 LYS 17 10.841 -3.085 -10.943
163 HG3 LYS 17 HG1 LYS 17 11.191 -1.406 -10.403
164 HD2 LYS 17 HD2 LYS 17 13.644 -1.835 -10.665
165 HD3 LYS 17 HD1 LYS 17 13.295 -3.516 -11.198
166 HE2 LYS 17 HE2 LYS 17 12.045 -2.634 -13.190
167 HE3 LYS 17 HE1 LYS 17 12.384 -0.938 -12.648
168 HZ1 LYS 17 HZ1 LYS 17 14.044 -2.781 -14.041
169 HZ2 LYS 17 HZ2 LYS 17 14.811 -2.212 -12.635
170 HZ3 LYS 17 HZ3 LYS 17 14.228 -1.112 -13.790