Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
618876 | 5y0h RC | 36105 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -15.144 3.881 -2.181
2 H2 GLY 1 HT2 GLY 1 -16.256 2.621 -2.004
3 H3 GLY 1 HT3 GLY 1 -16.156 3.463 -3.467
4 HA2 GLY 1 HA1 GLY 1 -15.089 1.277 -3.597
5 HA3 GLY 1 HA2 GLY 1 -13.984 2.608 -3.911
6 H PHE 2 HN PHE 2 -12.410 0.846 -3.358
7 HA PHE 2 HA PHE 2 -11.883 0.961 -0.471
8 HB2 PHE 2 HB2 PHE 2 -11.009 -1.317 -0.514
9 HB3 PHE 2 HB1 PHE 2 -12.687 -1.296 -1.029
10 HD1 PHE 2 HD1 PHE 2 -13.134 -1.321 -3.557
11 HD2 PHE 2 HD2 PHE 2 -9.395 -2.368 -1.816
12 HE1 PHE 2 HE1 PHE 2 -12.529 -2.543 -5.605
13 HE2 PHE 2 HE2 PHE 2 -8.782 -3.593 -3.859
14 HZ PHE 2 HZ PHE 2 -10.337 -3.707 -5.736
15 H ALA 3 HN ALA 3 -10.978 2.713 -2.448
16 HA ALA 3 HA ALA 3 -8.333 1.899 -3.259
17 HB1 ALA 3 HB1 ALA 3 -9.720 4.564 -3.534
18 HB2 ALA 3 HB2 ALA 3 -9.691 3.278 -4.741
19 HB3 ALA 3 HB3 ALA 3 -8.198 4.107 -4.298
20 H TRP 4 HN TRP 4 -7.421 1.529 -1.178
21 HA TRP 4 HA TRP 4 -6.417 4.034 -0.016
22 HB2 TRP 4 HB2 TRP 4 -5.747 2.182 1.854
23 HB3 TRP 4 HB1 TRP 4 -7.191 3.181 1.927
24 HD1 TRP 4 HD1 TRP 4 -6.210 -0.315 0.530
25 HE1 TRP 4 HE1 TRP 4 -8.222 -1.886 0.899
26 HE3 TRP 4 HE3 TRP 4 -9.464 3.034 2.566
27 HZ2 TRP 4 HZ2 TRP 4 -10.852 -1.708 1.941
28 HZ3 TRP 4 HZ3 TRP 4 -11.706 2.263 3.235
29 HH2 TRP 4 HH2 TRP 4 -12.383 -0.062 2.926
30 H ASN 5 HN ASN 5 -4.413 4.450 -0.544
31 HA ASN 5 HA ASN 5 -2.839 2.384 -1.820
32 HB2 ASN 5 HB2 ASN 5 -2.390 5.354 -1.460
33 HB3 ASN 5 HB1 ASN 5 -1.231 4.291 -2.249
34 HD21 ASN 5 HD21 ASN 5 -4.341 5.820 -2.479
35 HD22 ASN 5 HD22 ASN 5 -4.590 5.505 -4.162
36 H VAL 6 HN VAL 6 -1.867 1.057 -0.505
37 HA VAL 6 HA VAL 6 -0.638 1.995 1.962
38 HB VAL 6 HB VAL 6 -0.865 -0.796 0.806
39 HG11 VAL 6 HG11 VAL 6 1.080 -0.614 2.255
40 HG12 VAL 6 HG12 VAL 6 -0.182 -1.564 3.041
41 HG13 VAL 6 HG13 VAL 6 0.089 0.108 3.524
42 HG21 VAL 6 HG21 VAL 6 -2.409 0.548 3.019
43 HG22 VAL 6 HG22 VAL 6 -2.547 -1.148 2.557
44 HG23 VAL 6 HG23 VAL 6 -3.026 0.117 1.425
45 H CYS 7 HN CYS 7 1.175 3.089 1.456
46 HA CYS 7 HA CYS 7 3.074 1.949 -0.447
47 HB2 CYS 7 HB2 CYS 7 3.269 4.557 1.059
48 HB3 CYS 7 HB1 CYS 7 4.230 4.062 -0.325
49 H VAL 8 HN VAL 8 4.803 0.840 0.165
50 HA VAL 8 HA VAL 8 5.730 1.093 2.946
51 HB VAL 8 HB VAL 8 6.114 -1.391 2.988
52 HG11 VAL 8 HG11 VAL 8 3.785 -1.939 3.549
53 HG12 VAL 8 HG12 VAL 8 3.262 -0.436 2.789
54 HG13 VAL 8 HG13 VAL 8 4.290 -0.388 4.222
55 HG21 VAL 8 HG21 VAL 8 4.278 -1.344 0.596
56 HG22 VAL 8 HG22 VAL 8 4.773 -2.786 1.479
57 HG23 VAL 8 HG23 VAL 8 5.971 -1.835 0.599
58 H TYR 9 HN TYR 9 7.914 0.385 3.284
59 HA TYR 9 HA TYR 9 9.547 0.941 0.942
60 HB2 TYR 9 HB2 TYR 9 10.255 0.760 3.876
61 HB3 TYR 9 HB1 TYR 9 11.373 1.198 2.594
62 HD1 TYR 9 HD1 TYR 9 11.197 3.361 1.467
63 HD2 TYR 9 HD2 TYR 9 8.570 2.319 4.647
64 HE1 TYR 9 HE1 TYR 9 10.517 5.714 1.671
65 HE2 TYR 9 HE2 TYR 9 7.884 4.671 4.860
66 HH TYR 9 HH TYR 9 8.668 6.876 4.320
67 H ARG 10 HN ARG 10 9.968 -0.801 -0.244
68 HA ARG 10 HA ARG 10 10.543 -3.332 1.156
69 HB2 ARG 10 HB2 ARG 10 8.535 -3.312 -0.329
70 HB3 ARG 10 HB1 ARG 10 9.593 -2.944 -1.684
71 HG2 ARG 10 HG2 ARG 10 10.795 -5.070 -1.260
72 HG3 ARG 10 HG1 ARG 10 9.603 -5.446 -0.011
73 HD2 ARG 10 HD2 ARG 10 8.984 -6.553 -2.058
74 HD3 ARG 10 HD1 ARG 10 7.825 -5.269 -1.715
75 HE ARG 10 HE ARG 10 10.044 -4.721 -3.548
76 HH11 ARG 10 HH11 ARG 10 6.616 -5.248 -3.062
77 HH12 ARG 10 HH12 ARG 10 6.177 -4.608 -4.612
78 HH21 ARG 10 HH21 ARG 10 9.465 -3.877 -5.572
79 HH22 ARG 10 HH22 ARG 10 7.795 -3.812 -6.034
80 H ASN 11 HN ASN 11 12.689 -3.458 1.343
81 HA ASN 11 HA ASN 11 14.884 -3.666 0.791
82 HB2 ASN 11 HB2 ASN 11 13.698 -3.962 -1.969
83 HB3 ASN 11 HB1 ASN 11 15.430 -4.045 -1.682
84 HD21 ASN 11 HD21 ASN 11 13.081 -5.282 0.600
85 HD22 ASN 11 HD22 ASN 11 13.443 -6.954 0.350
86 H GLY 12 HN GLY 12 13.577 -1.050 0.947
87 HA2 GLY 12 HA2 GLY 12 14.968 0.923 1.072
88 HA3 GLY 12 HA1 GLY 12 15.686 0.451 -0.458
89 H VAL 13 HN VAL 13 12.996 -0.209 -1.597
90 HA VAL 13 HA VAL 13 12.421 2.562 -2.344
91 HB VAL 13 HB VAL 13 13.050 1.119 -4.172
92 HG11 VAL 13 HG11 VAL 13 10.655 -0.551 -3.448
93 HG12 VAL 13 HG12 VAL 13 12.349 -1.032 -3.331
94 HG13 VAL 13 HG13 VAL 13 11.623 -0.739 -4.911
95 HG21 VAL 13 HG21 VAL 13 11.501 2.917 -4.655
96 HG22 VAL 13 HG22 VAL 13 10.137 1.862 -4.283
97 HG23 VAL 13 HG23 VAL 13 11.161 1.522 -5.678
98 H ARG 14 HN ARG 14 10.552 3.513 -2.016
99 HA ARG 14 HA ARG 14 8.511 2.194 -0.480
100 HB2 ARG 14 HB2 ARG 14 9.132 4.514 -0.025
101 HB3 ARG 14 HB1 ARG 14 8.658 4.972 -1.654
102 HG2 ARG 14 HG2 ARG 14 6.352 4.390 -1.162
103 HG3 ARG 14 HG1 ARG 14 6.819 3.892 0.469
104 HD2 ARG 14 HD2 ARG 14 5.932 6.108 0.586
105 HD3 ARG 14 HD1 ARG 14 7.674 6.179 0.854
106 HE ARG 14 HE ARG 14 7.304 6.603 -1.843
107 HH11 ARG 14 HH11 ARG 14 6.271 8.138 1.122
108 HH12 ARG 14 HH12 ARG 14 6.288 9.738 0.451
109 HH21 ARG 14 HH21 ARG 14 7.300 8.704 -2.742
110 HH22 ARG 14 HH22 ARG 14 6.866 10.057 -1.750
111 H VAL 15 HN VAL 15 7.116 0.913 -1.442
112 HA VAL 15 HA VAL 15 6.226 1.570 -4.166
113 HB VAL 15 HB VAL 15 7.307 -0.617 -3.932
114 HG11 VAL 15 HG11 VAL 15 6.770 -1.117 -1.626
115 HG12 VAL 15 HG12 VAL 15 6.247 -2.429 -2.684
116 HG13 VAL 15 HG13 VAL 15 5.063 -1.288 -2.044
117 HG21 VAL 15 HG21 VAL 15 5.564 -1.972 -4.992
118 HG22 VAL 15 HG22 VAL 15 5.604 -0.332 -5.638
119 HG23 VAL 15 HG23 VAL 15 4.353 -0.796 -4.485
120 H CYS 16 HN CYS 16 4.143 2.021 -4.547
121 HA CYS 16 HA CYS 16 2.296 1.891 -2.271
122 HB2 CYS 16 HB2 CYS 16 2.201 3.603 -4.757
123 HB3 CYS 16 HB1 CYS 16 0.979 3.601 -3.492
124 H HIS 17 HN HIS 17 0.471 0.758 -2.375
125 HA HIS 17 HA HIS 17 -0.514 -0.233 -4.922
126 HB2 HIS 17 HB2 HIS 17 -0.692 -2.563 -4.008
127 HB3 HIS 17 HB1 HIS 17 0.940 -2.038 -4.360
128 HD1 HIS 17 HD1 HIS 17 2.591 -2.461 -2.548
129 HD2 HIS 17 HD2 HIS 17 -1.305 -2.359 -1.112
130 HE1 HIS 17 HE1 HIS 17 2.755 -3.043 -0.112
131 HE2 HIS 17 HE2 HIS 17 0.366 -3.200 0.667
132 H ARG 18 HN ARG 18 -2.622 -1.278 -4.699
133 HA ARG 18 HA ARG 18 -4.159 0.080 -2.598
134 HB2 ARG 18 HB2 ARG 18 -5.068 -1.240 -5.167
135 HB3 ARG 18 HB1 ARG 18 -6.158 -0.544 -3.978
136 HG2 ARG 18 HG2 ARG 18 -5.959 1.081 -5.642
137 HG3 ARG 18 HG1 ARG 18 -4.907 1.642 -4.343
138 HD2 ARG 18 HD2 ARG 18 -2.968 0.731 -5.522
139 HD3 ARG 18 HD1 ARG 18 -4.020 0.161 -6.813
140 HE ARG 18 HE ARG 18 -4.344 2.947 -6.419
141 HH11 ARG 18 HH11 ARG 18 -2.161 0.586 -7.800
142 HH12 ARG 18 HH12 ARG 18 -1.461 1.702 -8.929
143 HH21 ARG 18 HH21 ARG 18 -3.426 4.420 -7.925
144 HH22 ARG 18 HH22 ARG 18 -2.181 3.873 -9.002
145 H ARG 19 HN ARG 19 -4.597 -1.054 -0.836
146 HA ARG 19 HA ARG 19 -4.167 -3.855 -0.676
147 HB2 ARG 19 HB2 ARG 19 -3.964 -2.368 1.285
148 HB3 ARG 19 HB1 ARG 19 -5.698 -2.096 1.229
149 HG2 ARG 19 HG2 ARG 19 -6.060 -4.508 1.604
150 HG3 ARG 19 HG1 ARG 19 -4.317 -4.707 1.780
151 HD2 ARG 19 HD2 ARG 19 -4.305 -3.232 3.693
152 HD3 ARG 19 HD1 ARG 19 -6.024 -2.900 3.486
153 HE ARG 19 HE ARG 19 -5.310 -5.686 3.882
154 HH11 ARG 19 HH11 ARG 19 -6.384 -2.696 5.342
155 HH12 ARG 19 HH12 ARG 19 -7.050 -3.468 6.744
156 HH21 ARG 19 HH21 ARG 19 -6.173 -6.709 5.734
157 HH22 ARG 19 HH22 ARG 19 -6.929 -5.755 6.970
158 H ALA 20 HN ALA 20 -5.378 -5.308 -1.600
159 HA ALA 20 HA ALA 20 -8.239 -4.826 -1.973
160 HB1 ALA 20 HB1 ALA 20 -6.468 -6.936 -3.206
161 HB2 ALA 20 HB2 ALA 20 -6.936 -5.415 -3.966
162 HB3 ALA 20 HB3 ALA 20 -8.159 -6.633 -3.605
163 H ASN 21 HN ASN 21 -8.600 -5.207 0.312
164 HA ASN 21 HA ASN 21 -8.279 -7.964 1.213
165 HB2 ASN 21 HB2 ASN 21 -7.684 -6.129 2.763
166 HB3 ASN 21 HB1 ASN 21 -9.345 -5.549 2.699
167 HD21 ASN 21 HD21 ASN 21 -10.937 -6.646 3.801
168 HD22 ASN 21 HD22 ASN 21 -10.592 -7.881 4.961
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -15.511 3.874 0.738
2 H2 GLY 1 HT2 GLY 1 -16.359 3.909 -0.721
3 H3 GLY 1 HT3 GLY 1 -14.711 4.289 -0.692
4 HA2 GLY 1 HA1 GLY 1 -15.890 1.639 -0.086
5 HA3 GLY 1 HA2 GLY 1 -15.057 2.074 -1.571
6 H PHE 2 HN PHE 2 -13.892 0.047 -0.654
7 HA PHE 2 HA PHE 2 -11.921 0.749 1.373
8 HB2 PHE 2 HB2 PHE 2 -11.249 -1.693 1.119
9 HB3 PHE 2 HB1 PHE 2 -12.842 -1.380 1.802
10 HD1 PHE 2 HD1 PHE 2 -14.859 -1.903 0.538
11 HD2 PHE 2 HD2 PHE 2 -10.994 -2.705 -1.049
12 HE1 PHE 2 HE1 PHE 2 -15.865 -3.350 -1.175
13 HE2 PHE 2 HE2 PHE 2 -11.996 -4.154 -2.763
14 HZ PHE 2 HZ PHE 2 -14.452 -4.489 -2.806
15 H ALA 3 HN ALA 3 -11.750 2.047 -1.120
16 HA ALA 3 HA ALA 3 -9.437 0.840 -2.410
17 HB1 ALA 3 HB1 ALA 3 -11.091 1.852 -3.866
18 HB2 ALA 3 HB2 ALA 3 -9.569 2.742 -3.961
19 HB3 ALA 3 HB3 ALA 3 -10.913 3.393 -3.026
20 H TRP 4 HN TRP 4 -7.976 0.962 -0.695
21 HA TRP 4 HA TRP 4 -6.945 3.671 -0.281
22 HB2 TRP 4 HB2 TRP 4 -5.868 2.387 1.801
23 HB3 TRP 4 HB1 TRP 4 -7.402 3.235 1.888
24 HD1 TRP 4 HD1 TRP 4 -6.212 -0.405 1.166
25 HE1 TRP 4 HE1 TRP 4 -7.889 -2.005 2.270
26 HE3 TRP 4 HE3 TRP 4 -9.508 3.045 2.940
27 HZ2 TRP 4 HZ2 TRP 4 -10.316 -1.814 3.720
28 HZ3 TRP 4 HZ3 TRP 4 -11.491 2.262 4.179
29 HH2 TRP 4 HH2 TRP 4 -11.884 -0.117 4.556
30 H ASN 5 HN ASN 5 -4.991 4.024 -1.069
31 HA ASN 5 HA ASN 5 -3.413 1.808 -2.042
32 HB2 ASN 5 HB2 ASN 5 -1.863 3.511 -2.892
33 HB3 ASN 5 HB1 ASN 5 -3.514 3.865 -3.380
34 HD21 ASN 5 HD21 ASN 5 -4.515 5.692 -2.619
35 HD22 ASN 5 HD22 ASN 5 -3.681 6.923 -1.733
36 H VAL 6 HN VAL 6 -1.479 1.114 -1.236
37 HA VAL 6 HA VAL 6 -0.674 2.232 1.354
38 HB VAL 6 HB VAL 6 -1.788 0.238 1.960
39 HG11 VAL 6 HG11 VAL 6 -1.397 -1.930 0.930
40 HG12 VAL 6 HG12 VAL 6 -0.291 -1.180 -0.223
41 HG13 VAL 6 HG13 VAL 6 -2.003 -0.753 -0.235
42 HG21 VAL 6 HG21 VAL 6 -0.028 -1.206 2.839
43 HG22 VAL 6 HG22 VAL 6 0.377 0.498 3.052
44 HG23 VAL 6 HG23 VAL 6 1.141 -0.437 1.765
45 H CYS 7 HN CYS 7 1.275 3.011 1.220
46 HA CYS 7 HA CYS 7 3.186 1.889 -0.692
47 HB2 CYS 7 HB2 CYS 7 3.463 4.375 0.998
48 HB3 CYS 7 HB1 CYS 7 4.475 3.903 -0.359
49 H VAL 8 HN VAL 8 4.854 0.676 -0.057
50 HA VAL 8 HA VAL 8 5.585 0.752 2.794
51 HB VAL 8 HB VAL 8 6.111 -1.708 2.640
52 HG11 VAL 8 HG11 VAL 8 3.227 -0.883 2.343
53 HG12 VAL 8 HG12 VAL 8 4.164 -0.907 3.837
54 HG13 VAL 8 HG13 VAL 8 3.790 -2.417 3.006
55 HG21 VAL 8 HG21 VAL 8 6.124 -1.925 0.209
56 HG22 VAL 8 HG22 VAL 8 4.402 -1.544 0.160
57 HG23 VAL 8 HG23 VAL 8 4.957 -3.027 0.938
58 H TYR 9 HN TYR 9 7.746 0.262 3.262
59 HA TYR 9 HA TYR 9 9.533 0.809 1.010
60 HB2 TYR 9 HB2 TYR 9 9.826 1.221 3.987
61 HB3 TYR 9 HB1 TYR 9 11.175 1.368 2.871
62 HD1 TYR 9 HD1 TYR 9 11.605 3.415 1.838
63 HD2 TYR 9 HD2 TYR 9 7.752 2.700 3.492
64 HE1 TYR 9 HE1 TYR 9 10.978 5.748 1.378
65 HE2 TYR 9 HE2 TYR 9 7.116 5.029 3.039
66 HH TYR 9 HH TYR 9 9.143 7.160 1.159
67 H ARG 10 HN ARG 10 10.253 -0.995 0.141
68 HA ARG 10 HA ARG 10 11.178 -3.135 1.941
69 HB2 ARG 10 HB2 ARG 10 9.770 -3.382 -0.721
70 HB3 ARG 10 HB1 ARG 10 10.611 -4.718 0.055
71 HG2 ARG 10 HG2 ARG 10 9.118 -4.505 1.995
72 HG3 ARG 10 HG1 ARG 10 8.254 -3.210 1.167
73 HD2 ARG 10 HD2 ARG 10 7.513 -4.694 -0.544
74 HD3 ARG 10 HD1 ARG 10 8.570 -5.982 0.034
75 HE ARG 10 HE ARG 10 6.985 -5.473 2.169
76 HH11 ARG 10 HH11 ARG 10 6.304 -6.200 -1.188
77 HH12 ARG 10 HH12 ARG 10 4.812 -7.009 -0.840
78 HH21 ARG 10 HH21 ARG 10 5.036 -6.553 2.630
79 HH22 ARG 10 HH22 ARG 10 4.085 -7.207 1.335
80 H ASN 11 HN ASN 11 13.245 -3.544 1.781
81 HA ASN 11 HA ASN 11 15.401 -3.563 1.083
82 HB2 ASN 11 HB2 ASN 11 14.184 -3.605 -1.691
83 HB3 ASN 11 HB1 ASN 11 15.863 -3.966 -1.307
84 HD21 ASN 11 HD21 ASN 11 12.600 -5.094 -1.231
85 HD22 ASN 11 HD22 ASN 11 12.949 -6.729 -0.795
86 H GLY 12 HN GLY 12 13.951 -1.027 1.465
87 HA2 GLY 12 HA2 GLY 12 14.954 1.096 1.604
88 HA3 GLY 12 HA1 GLY 12 16.014 0.661 0.277
89 H VAL 13 HN VAL 13 13.317 -0.295 -1.071
90 HA VAL 13 HA VAL 13 12.904 2.346 -2.276
91 HB VAL 13 HB VAL 13 13.567 0.429 -3.742
92 HG11 VAL 13 HG11 VAL 13 12.291 -1.351 -2.710
93 HG12 VAL 13 HG12 VAL 13 11.861 -1.191 -4.414
94 HG13 VAL 13 HG13 VAL 13 10.784 -0.558 -3.169
95 HG21 VAL 13 HG21 VAL 13 10.935 1.748 -4.363
96 HG22 VAL 13 HG22 VAL 13 11.990 0.965 -5.540
97 HG23 VAL 13 HG23 VAL 13 12.541 2.405 -4.683
98 H ARG 14 HN ARG 14 10.882 3.208 -2.614
99 HA ARG 14 HA ARG 14 8.829 2.266 -0.757
100 HB2 ARG 14 HB2 ARG 14 9.372 4.585 -0.490
101 HB3 ARG 14 HB1 ARG 14 9.229 4.880 -2.216
102 HG2 ARG 14 HG2 ARG 14 6.820 4.421 -2.080
103 HG3 ARG 14 HG1 ARG 14 6.980 4.190 -0.337
104 HD2 ARG 14 HD2 ARG 14 7.685 6.472 -0.052
105 HD3 ARG 14 HD1 ARG 14 7.724 6.720 -1.796
106 HE ARG 14 HE ARG 14 5.298 6.462 -1.785
107 HH11 ARG 14 HH11 ARG 14 6.863 7.144 1.283
108 HH12 ARG 14 HH12 ARG 14 5.434 7.819 1.995
109 HH21 ARG 14 HH21 ARG 14 3.426 7.349 -0.846
110 HH22 ARG 14 HH22 ARG 14 3.478 7.933 0.787
111 H VAL 15 HN VAL 15 7.312 0.978 -1.550
112 HA VAL 15 HA VAL 15 6.508 1.378 -4.351
113 HB VAL 15 HB VAL 15 7.557 -0.776 -4.062
114 HG11 VAL 15 HG11 VAL 15 6.615 -2.515 -2.631
115 HG12 VAL 15 HG12 VAL 15 5.472 -1.342 -1.975
116 HG13 VAL 15 HG13 VAL 15 7.203 -1.137 -1.702
117 HG21 VAL 15 HG21 VAL 15 5.745 -0.637 -5.664
118 HG22 VAL 15 HG22 VAL 15 4.574 -1.016 -4.400
119 HG23 VAL 15 HG23 VAL 15 5.758 -2.225 -4.899
120 H CYS 16 HN CYS 16 4.605 2.257 -4.590
121 HA CYS 16 HA CYS 16 2.570 1.908 -2.516
122 HB2 CYS 16 HB2 CYS 16 2.621 3.780 -4.887
123 HB3 CYS 16 HB1 CYS 16 1.384 3.744 -3.637
124 H HIS 17 HN HIS 17 0.836 0.696 -2.825
125 HA HIS 17 HA HIS 17 0.060 -0.064 -5.525
126 HB2 HIS 17 HB2 HIS 17 -0.153 -2.475 -4.797
127 HB3 HIS 17 HB1 HIS 17 1.484 -1.894 -5.027
128 HD1 HIS 17 HD1 HIS 17 -0.818 -3.275 -2.484
129 HD2 HIS 17 HD2 HIS 17 2.995 -1.629 -2.620
130 HE1 HIS 17 HE1 HIS 17 0.204 -3.751 -0.239
131 HE2 HIS 17 HE2 HIS 17 2.603 -3.020 -0.473
132 H ARG 18 HN ARG 18 -2.019 -1.121 -5.595
133 HA ARG 18 HA ARG 18 -3.806 0.288 -3.799
134 HB2 ARG 18 HB2 ARG 18 -5.586 -0.536 -5.362
135 HB3 ARG 18 HB1 ARG 18 -4.349 0.459 -6.113
136 HG2 ARG 18 HG2 ARG 18 -3.275 -1.505 -7.028
137 HG3 ARG 18 HG1 ARG 18 -4.438 -2.548 -6.207
138 HD2 ARG 18 HD2 ARG 18 -6.249 -1.552 -7.497
139 HD3 ARG 18 HD1 ARG 18 -5.099 -0.488 -8.301
140 HE ARG 18 HE ARG 18 -4.107 -2.922 -8.861
141 HH11 ARG 18 HH11 ARG 18 -7.323 -1.565 -9.135
142 HH12 ARG 18 HH12 ARG 18 -7.765 -2.562 -10.484
143 HH21 ARG 18 HH21 ARG 18 -4.682 -4.228 -10.638
144 HH22 ARG 18 HH22 ARG 18 -6.260 -4.081 -11.340
145 H ARG 19 HN ARG 19 -4.311 -0.620 -1.943
146 HA ARG 19 HA ARG 19 -4.553 -3.511 -1.742
147 HB2 ARG 19 HB2 ARG 19 -3.323 -2.351 -0.006
148 HB3 ARG 19 HB1 ARG 19 -4.703 -1.325 0.335
149 HG2 ARG 19 HG2 ARG 19 -5.950 -3.225 1.158
150 HG3 ARG 19 HG1 ARG 19 -4.623 -4.310 0.733
151 HD2 ARG 19 HD2 ARG 19 -3.167 -3.191 2.311
152 HD3 ARG 19 HD1 ARG 19 -4.429 -2.022 2.685
153 HE ARG 19 HE ARG 19 -5.637 -4.307 3.336
154 HH11 ARG 19 HH11 ARG 19 -2.388 -3.209 4.024
155 HH12 ARG 19 HH12 ARG 19 -2.312 -3.976 5.578
156 HH21 ARG 19 HH21 ARG 19 -5.547 -5.323 5.388
157 HH22 ARG 19 HH22 ARG 19 -4.119 -5.168 6.360
158 H ALA 20 HN ALA 20 -6.405 -4.495 -1.935
159 HA ALA 20 HA ALA 20 -8.891 -3.222 -1.123
160 HB1 ALA 20 HB1 ALA 20 -8.641 -2.544 -3.466
161 HB2 ALA 20 HB2 ALA 20 -9.995 -3.654 -3.263
162 HB3 ALA 20 HB3 ALA 20 -8.474 -4.234 -3.938
163 H ASN 21 HN ASN 21 -7.129 -5.513 -0.401
164 HA ASN 21 HA ASN 21 -8.738 -7.829 -1.104
165 HB2 ASN 21 HB2 ASN 21 -6.959 -9.135 0.043
166 HB3 ASN 21 HB1 ASN 21 -6.354 -8.145 -1.276
167 HD21 ASN 21 HD21 ASN 21 -6.283 -8.741 2.113
168 HD22 ASN 21 HD22 ASN 21 -5.032 -7.608 2.496
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -16.365 -0.585 -4.909
2 H2 GLY 1 HT2 GLY 1 -15.245 0.649 -5.191
3 H3 GLY 1 HT3 GLY 1 -16.475 0.868 -4.056
4 HA2 GLY 1 HA1 GLY 1 -15.552 -0.856 -2.653
5 HA3 GLY 1 HA2 GLY 1 -14.280 -1.109 -3.841
6 H PHE 2 HN PHE 2 -13.024 -0.666 -1.765
7 HA PHE 2 HA PHE 2 -12.746 2.222 -1.291
8 HB2 PHE 2 HB2 PHE 2 -11.883 -0.166 0.344
9 HB3 PHE 2 HB1 PHE 2 -11.397 1.483 0.715
10 HD1 PHE 2 HD1 PHE 2 -13.004 3.096 1.567
11 HD2 PHE 2 HD2 PHE 2 -14.138 -0.917 0.717
12 HE1 PHE 2 HE1 PHE 2 -15.075 3.410 2.857
13 HE2 PHE 2 HE2 PHE 2 -16.211 -0.609 2.002
14 HZ PHE 2 HZ PHE 2 -16.670 1.573 3.093
15 H ALA 3 HN ALA 3 -11.114 3.232 -2.224
16 HA ALA 3 HA ALA 3 -8.877 1.658 -3.253
17 HB1 ALA 3 HB1 ALA 3 -9.644 4.528 -3.777
18 HB2 ALA 3 HB2 ALA 3 -10.019 3.150 -4.813
19 HB3 ALA 3 HB3 ALA 3 -8.343 3.643 -4.573
20 H TRP 4 HN TRP 4 -7.788 1.314 -1.266
21 HA TRP 4 HA TRP 4 -6.590 3.709 -0.090
22 HB2 TRP 4 HB2 TRP 4 -5.621 1.709 1.453
23 HB3 TRP 4 HB1 TRP 4 -7.088 2.608 1.799
24 HD1 TRP 4 HD1 TRP 4 -6.296 -0.584 -0.309
25 HE1 TRP 4 HE1 TRP 4 -8.110 -2.328 0.247
26 HE3 TRP 4 HE3 TRP 4 -9.022 2.166 2.986
27 HZ2 TRP 4 HZ2 TRP 4 -10.406 -2.500 1.903
28 HZ3 TRP 4 HZ3 TRP 4 -11.014 1.150 4.031
29 HH2 TRP 4 HH2 TRP 4 -11.692 -1.137 3.494
30 H ASN 5 HN ASN 5 -4.684 4.304 -0.770
31 HA ASN 5 HA ASN 5 -2.989 2.407 -2.196
32 HB2 ASN 5 HB2 ASN 5 -2.625 5.388 -1.784
33 HB3 ASN 5 HB1 ASN 5 -1.685 4.370 -2.868
34 HD21 ASN 5 HD21 ASN 5 -4.071 2.854 -3.691
35 HD22 ASN 5 HD22 ASN 5 -4.933 3.893 -4.770
36 H VAL 6 HN VAL 6 -1.814 1.203 -0.876
37 HA VAL 6 HA VAL 6 -0.765 2.343 1.594
38 HB VAL 6 HB VAL 6 -1.012 -0.526 0.671
39 HG11 VAL 6 HG11 VAL 6 0.072 0.531 3.284
40 HG12 VAL 6 HG12 VAL 6 1.019 -0.241 2.013
41 HG13 VAL 6 HG13 VAL 6 -0.202 -1.164 2.888
42 HG21 VAL 6 HG21 VAL 6 -2.593 -0.696 2.551
43 HG22 VAL 6 HG22 VAL 6 -3.118 0.470 1.337
44 HG23 VAL 6 HG23 VAL 6 -2.402 1.032 2.847
45 H CYS 7 HN CYS 7 1.115 3.248 1.377
46 HA CYS 7 HA CYS 7 3.126 2.167 -0.443
47 HB2 CYS 7 HB2 CYS 7 3.324 4.645 1.269
48 HB3 CYS 7 HB1 CYS 7 4.318 4.223 -0.117
49 H VAL 8 HN VAL 8 4.834 1.025 0.232
50 HA VAL 8 HA VAL 8 5.550 1.111 3.082
51 HB VAL 8 HB VAL 8 5.938 -1.369 3.025
52 HG11 VAL 8 HG11 VAL 8 4.018 -0.432 4.165
53 HG12 VAL 8 HG12 VAL 8 3.595 -1.964 3.403
54 HG13 VAL 8 HG13 VAL 8 3.096 -0.443 2.662
55 HG21 VAL 8 HG21 VAL 8 5.972 -1.669 0.606
56 HG22 VAL 8 HG22 VAL 8 4.269 -1.218 0.519
57 HG23 VAL 8 HG23 VAL 8 4.749 -2.695 1.355
58 H TYR 9 HN TYR 9 7.712 0.316 3.512
59 HA TYR 9 HA TYR 9 9.498 0.935 1.296
60 HB2 TYR 9 HB2 TYR 9 10.041 0.536 4.244
61 HB3 TYR 9 HB1 TYR 9 11.243 0.991 3.044
62 HD1 TYR 9 HD1 TYR 9 11.264 3.241 2.093
63 HD2 TYR 9 HD2 TYR 9 8.382 2.121 5.016
64 HE1 TYR 9 HE1 TYR 9 10.715 5.610 2.450
65 HE2 TYR 9 HE2 TYR 9 7.826 4.488 5.378
66 HH TYR 9 HH TYR 9 8.721 6.667 5.063
67 H ARG 10 HN ARG 10 9.698 -0.818 0.043
68 HA ARG 10 HA ARG 10 10.512 -3.322 1.359
69 HB2 ARG 10 HB2 ARG 10 8.205 -3.511 0.526
70 HB3 ARG 10 HB1 ARG 10 8.744 -3.037 -1.079
71 HG2 ARG 10 HG2 ARG 10 10.110 -5.050 -1.225
72 HG3 ARG 10 HG1 ARG 10 9.593 -5.521 0.395
73 HD2 ARG 10 HD2 ARG 10 7.278 -5.641 -0.374
74 HD3 ARG 10 HD1 ARG 10 7.786 -5.154 -1.992
75 HE ARG 10 HE ARG 10 9.295 -7.348 -1.493
76 HH11 ARG 10 HH11 ARG 10 5.854 -6.730 -1.351
77 HH12 ARG 10 HH12 ARG 10 5.415 -8.361 -1.735
78 HH21 ARG 10 HH21 ARG 10 8.730 -9.487 -2.003
79 HH22 ARG 10 HH22 ARG 10 7.057 -9.932 -2.114
80 H ASN 11 HN ASN 11 12.422 -4.040 0.716
81 HA ASN 11 HA ASN 11 14.371 -4.274 -0.428
82 HB2 ASN 11 HB2 ASN 11 12.647 -3.653 -2.838
83 HB3 ASN 11 HB1 ASN 11 14.282 -4.298 -2.898
84 HD21 ASN 11 HD21 ASN 11 11.792 -5.395 -3.910
85 HD22 ASN 11 HD22 ASN 11 11.619 -6.950 -3.172
86 H GLY 12 HN GLY 12 13.543 -1.646 0.611
87 HA2 GLY 12 HA2 GLY 12 14.735 0.326 0.807
88 HA3 GLY 12 HA1 GLY 12 15.734 -0.183 -0.544
89 H VAL 13 HN VAL 13 12.275 -0.104 -0.915
90 HA VAL 13 HA VAL 13 12.385 2.601 -2.019
91 HB VAL 13 HB VAL 13 12.725 1.039 -3.908
92 HG11 VAL 13 HG11 VAL 13 10.879 -0.356 -4.696
93 HG12 VAL 13 HG12 VAL 13 9.964 0.049 -3.244
94 HG13 VAL 13 HG13 VAL 13 11.463 -0.869 -3.114
95 HG21 VAL 13 HG21 VAL 13 11.002 1.981 -5.376
96 HG22 VAL 13 HG22 VAL 13 11.707 3.199 -4.310
97 HG23 VAL 13 HG23 VAL 13 10.111 2.533 -3.956
98 H ARG 14 HN ARG 14 10.431 3.710 -1.977
99 HA ARG 14 HA ARG 14 8.456 2.612 -0.143
100 HB2 ARG 14 HB2 ARG 14 9.311 4.927 0.157
101 HB3 ARG 14 HB1 ARG 14 8.623 5.358 -1.402
102 HG2 ARG 14 HG2 ARG 14 6.383 4.801 -0.531
103 HG3 ARG 14 HG1 ARG 14 7.109 4.479 1.043
104 HD2 ARG 14 HD2 ARG 14 7.917 6.782 1.144
105 HD3 ARG 14 HD1 ARG 14 7.208 7.101 -0.438
106 HE ARG 14 HE ARG 14 5.472 6.230 1.757
107 HH11 ARG 14 HH11 ARG 14 6.505 8.728 -0.467
108 HH12 ARG 14 HH12 ARG 14 5.128 9.741 -0.172
109 HH21 ARG 14 HH21 ARG 14 3.653 7.568 2.148
110 HH22 ARG 14 HH22 ARG 14 3.515 9.089 1.321
111 H VAL 15 HN VAL 15 7.361 1.105 -1.348
112 HA VAL 15 HA VAL 15 6.338 1.873 -3.968
113 HB VAL 15 HB VAL 15 7.451 -0.278 -3.827
114 HG11 VAL 15 HG11 VAL 15 5.318 -1.061 -1.853
115 HG12 VAL 15 HG12 VAL 15 7.032 -0.828 -1.505
116 HG13 VAL 15 HG13 VAL 15 6.516 -2.147 -2.556
117 HG21 VAL 15 HG21 VAL 15 4.483 -0.588 -4.250
118 HG22 VAL 15 HG22 VAL 15 5.729 -1.686 -4.844
119 HG23 VAL 15 HG23 VAL 15 5.651 -0.031 -5.448
120 H CYS 16 HN CYS 16 4.332 2.514 -4.287
121 HA CYS 16 HA CYS 16 2.363 2.144 -2.151
122 HB2 CYS 16 HB2 CYS 16 2.256 3.951 -4.565
123 HB3 CYS 16 HB1 CYS 16 1.087 3.912 -3.253
124 H HIS 17 HN HIS 17 0.741 0.787 -2.370
125 HA HIS 17 HA HIS 17 -0.184 -0.007 -5.004
126 HB2 HIS 17 HB2 HIS 17 -0.042 -2.427 -4.420
127 HB3 HIS 17 HB1 HIS 17 1.510 -1.662 -4.673
128 HD1 HIS 17 HD1 HIS 17 -0.409 -3.623 -2.257
129 HD2 HIS 17 HD2 HIS 17 2.974 -1.210 -2.195
130 HE1 HIS 17 HE1 HIS 17 0.762 -4.158 -0.104
131 HE2 HIS 17 HE2 HIS 17 2.924 -2.881 -0.220
132 H ARG 18 HN ARG 18 -2.121 -1.307 -4.907
133 HA ARG 18 HA ARG 18 -3.903 -0.243 -2.907
134 HB2 ARG 18 HB2 ARG 18 -4.296 -1.971 -5.335
135 HB3 ARG 18 HB1 ARG 18 -5.596 -1.731 -4.181
136 HG2 ARG 18 HG2 ARG 18 -5.931 -0.186 -5.930
137 HG3 ARG 18 HG1 ARG 18 -5.342 0.736 -4.548
138 HD2 ARG 18 HD2 ARG 18 -4.262 1.495 -6.572
139 HD3 ARG 18 HD1 ARG 18 -3.085 0.708 -5.526
140 HE ARG 18 HE ARG 18 -3.635 -1.319 -7.059
141 HH11 ARG 18 HH11 ARG 18 -3.350 2.035 -8.047
142 HH12 ARG 18 HH12 ARG 18 -2.832 1.641 -9.656
143 HH21 ARG 18 HH21 ARG 18 -2.933 -1.828 -9.159
144 HH22 ARG 18 HH22 ARG 18 -2.574 -0.557 -10.283
145 H ARG 19 HN ARG 19 -4.206 -1.146 -1.000
146 HA ARG 19 HA ARG 19 -3.381 -3.783 -0.342
147 HB2 ARG 19 HB2 ARG 19 -3.778 -1.752 1.216
148 HB3 ARG 19 HB1 ARG 19 -5.468 -2.226 1.178
149 HG2 ARG 19 HG2 ARG 19 -3.302 -4.140 1.988
150 HG3 ARG 19 HG1 ARG 19 -4.049 -3.034 3.132
151 HD2 ARG 19 HD2 ARG 19 -6.244 -4.007 2.624
152 HD3 ARG 19 HD1 ARG 19 -5.477 -5.126 1.496
153 HE ARG 19 HE ARG 19 -4.227 -5.392 3.985
154 HH11 ARG 19 HH11 ARG 19 -7.341 -6.034 2.505
155 HH12 ARG 19 HH12 ARG 19 -7.718 -7.344 3.583
156 HH21 ARG 19 HH21 ARG 19 -4.734 -7.127 5.390
157 HH22 ARG 19 HH22 ARG 19 -6.237 -7.971 5.199
158 H ALA 20 HN ALA 20 -4.436 -5.679 -0.523
159 HA ALA 20 HA ALA 20 -6.919 -5.590 -2.036
160 HB1 ALA 20 HB1 ALA 20 -6.399 -7.840 -2.712
161 HB2 ALA 20 HB2 ALA 20 -5.088 -7.930 -1.535
162 HB3 ALA 20 HB3 ALA 20 -4.964 -6.839 -2.911
163 H ASN 21 HN ASN 21 -7.015 -8.554 -0.977
164 HA ASN 21 HA ASN 21 -8.238 -8.108 1.600
165 HB2 ASN 21 HB2 ASN 21 -10.428 -9.091 0.854
166 HB3 ASN 21 HB1 ASN 21 -10.098 -7.487 0.214
167 HD21 ASN 21 HD21 ASN 21 -10.400 -10.858 -0.524
168 HD22 ASN 21 HD22 ASN 21 -10.450 -10.691 -2.243
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -15.965 -1.738 -0.532
2 H2 GLY 1 HT2 GLY 1 -16.406 -1.592 -2.159
3 H3 GLY 1 HT3 GLY 1 -16.219 -0.210 -1.209
4 HA2 GLY 1 HA1 GLY 1 -14.057 -2.094 -1.953
5 HA3 GLY 1 HA2 GLY 1 -14.326 -0.515 -2.677
6 H PHE 2 HN PHE 2 -11.922 -1.237 -1.474
7 HA PHE 2 HA PHE 2 -11.846 0.699 0.728
8 HB2 PHE 2 HB2 PHE 2 -10.430 -1.980 0.766
9 HB3 PHE 2 HB1 PHE 2 -10.296 -0.727 1.993
10 HD1 PHE 2 HD1 PHE 2 -12.476 -0.045 3.185
11 HD2 PHE 2 HD2 PHE 2 -12.001 -3.655 0.985
12 HE1 PHE 2 HE1 PHE 2 -14.372 -1.032 4.402
13 HE2 PHE 2 HE2 PHE 2 -13.900 -4.647 2.193
14 HZ PHE 2 HZ PHE 2 -15.094 -3.329 3.892
15 H ALA 3 HN ALA 3 -11.222 1.496 -1.715
16 HA ALA 3 HA ALA 3 -8.559 0.817 -2.519
17 HB1 ALA 3 HB1 ALA 3 -10.375 3.003 -3.504
18 HB2 ALA 3 HB2 ALA 3 -10.210 1.387 -4.193
19 HB3 ALA 3 HB3 ALA 3 -8.853 2.517 -4.250
20 H TRP 4 HN TRP 4 -7.370 1.381 -0.607
21 HA TRP 4 HA TRP 4 -6.549 4.174 -0.873
22 HB2 TRP 4 HB2 TRP 4 -5.495 3.662 1.488
23 HB3 TRP 4 HB1 TRP 4 -7.135 4.259 1.329
24 HD1 TRP 4 HD1 TRP 4 -5.291 0.877 1.850
25 HE1 TRP 4 HE1 TRP 4 -6.816 -0.617 3.294
26 HE3 TRP 4 HE3 TRP 4 -9.361 3.936 2.144
27 HZ2 TRP 4 HZ2 TRP 4 -9.408 -0.501 4.414
28 HZ3 TRP 4 HZ3 TRP 4 -11.325 3.181 3.425
29 HH2 TRP 4 HH2 TRP 4 -11.345 1.006 4.537
30 H ASN 5 HN ASN 5 -4.487 4.523 -1.375
31 HA ASN 5 HA ASN 5 -2.864 2.292 -2.152
32 HB2 ASN 5 HB2 ASN 5 -2.411 5.272 -2.185
33 HB3 ASN 5 HB1 ASN 5 -1.146 4.135 -2.632
34 HD21 ASN 5 HD21 ASN 5 -4.148 5.585 -3.537
35 HD22 ASN 5 HD22 ASN 5 -4.193 4.976 -5.157
36 H VAL 6 HN VAL 6 -1.932 1.127 -0.663
37 HA VAL 6 HA VAL 6 -0.773 2.394 1.687
38 HB VAL 6 HB VAL 6 -2.099 0.596 2.392
39 HG11 VAL 6 HG11 VAL 6 -2.524 -0.425 0.240
40 HG12 VAL 6 HG12 VAL 6 -2.042 -1.648 1.416
41 HG13 VAL 6 HG13 VAL 6 -0.889 -1.084 0.206
42 HG21 VAL 6 HG21 VAL 6 -0.547 -1.075 3.279
43 HG22 VAL 6 HG22 VAL 6 0.099 0.555 3.438
44 HG23 VAL 6 HG23 VAL 6 0.698 -0.509 2.167
45 H CYS 7 HN CYS 7 1.221 2.962 1.542
46 HA CYS 7 HA CYS 7 3.009 1.635 -0.352
47 HB2 CYS 7 HB2 CYS 7 3.358 4.248 1.123
48 HB3 CYS 7 HB1 CYS 7 4.425 3.612 -0.124
49 H VAL 8 HN VAL 8 4.785 0.574 0.248
50 HA VAL 8 HA VAL 8 5.606 0.681 3.067
51 HB VAL 8 HB VAL 8 6.157 -1.767 2.922
52 HG11 VAL 8 HG11 VAL 8 4.216 -0.984 4.145
53 HG12 VAL 8 HG12 VAL 8 3.866 -2.519 3.353
54 HG13 VAL 8 HG13 VAL 8 3.248 -1.013 2.672
55 HG21 VAL 8 HG21 VAL 8 4.414 -1.637 0.461
56 HG22 VAL 8 HG22 VAL 8 4.973 -3.113 1.245
57 HG23 VAL 8 HG23 VAL 8 6.136 -2.015 0.505
58 H TYR 9 HN TYR 9 7.826 0.166 3.424
59 HA TYR 9 HA TYR 9 9.473 0.777 1.092
60 HB2 TYR 9 HB2 TYR 9 10.011 0.921 4.059
61 HB3 TYR 9 HB1 TYR 9 11.262 1.146 2.845
62 HD1 TYR 9 HD1 TYR 9 11.464 3.196 1.647
63 HD2 TYR 9 HD2 TYR 9 8.114 2.530 4.182
64 HE1 TYR 9 HE1 TYR 9 10.840 5.565 1.435
65 HE2 TYR 9 HE2 TYR 9 7.481 4.893 3.975
66 HH TYR 9 HH TYR 9 8.579 7.056 3.454
67 H ARG 10 HN ARG 10 10.642 -0.699 0.142
68 HA ARG 10 HA ARG 10 11.376 -3.155 1.575
69 HB2 ARG 10 HB2 ARG 10 9.252 -3.469 0.254
70 HB3 ARG 10 HB1 ARG 10 10.188 -3.135 -1.196
71 HG2 ARG 10 HG2 ARG 10 11.649 -5.056 -0.628
72 HG3 ARG 10 HG1 ARG 10 10.563 -5.423 0.717
73 HD2 ARG 10 HD2 ARG 10 9.847 -5.341 -2.202
74 HD3 ARG 10 HD1 ARG 10 10.011 -6.783 -1.205
75 HE ARG 10 HE ARG 10 8.114 -5.620 0.139
76 HH11 ARG 10 HH11 ARG 10 8.481 -5.703 -3.339
77 HH12 ARG 10 HH12 ARG 10 6.785 -5.527 -3.652
78 HH21 ARG 10 HH21 ARG 10 5.869 -5.395 -0.270
79 HH22 ARG 10 HH22 ARG 10 5.301 -5.346 -1.908
80 H ASN 11 HN ASN 11 13.504 -3.360 1.398
81 HA ASN 11 HA ASN 11 15.643 -3.210 0.654
82 HB2 ASN 11 HB2 ASN 11 14.330 -3.299 -2.074
83 HB3 ASN 11 HB1 ASN 11 16.057 -3.477 -1.783
84 HD21 ASN 11 HD21 ASN 11 16.806 -5.346 -0.719
85 HD22 ASN 11 HD22 ASN 11 15.855 -6.791 -0.677
86 H GLY 12 HN GLY 12 14.205 -0.798 1.255
87 HA2 GLY 12 HA2 GLY 12 15.118 1.357 1.405
88 HA3 GLY 12 HA1 GLY 12 16.087 1.025 -0.019
89 H VAL 13 HN VAL 13 13.448 0.027 -1.314
90 HA VAL 13 HA VAL 13 12.782 2.711 -2.278
91 HB VAL 13 HB VAL 13 13.561 0.989 -3.918
92 HG11 VAL 13 HG11 VAL 13 10.893 -0.281 -3.354
93 HG12 VAL 13 HG12 VAL 13 12.479 -0.976 -3.021
94 HG13 VAL 13 HG13 VAL 13 11.967 -0.705 -4.686
95 HG21 VAL 13 HG21 VAL 13 11.873 1.527 -5.624
96 HG22 VAL 13 HG22 VAL 13 12.350 2.935 -4.675
97 HG23 VAL 13 HG23 VAL 13 10.811 2.136 -4.354
98 H ARG 14 HN ARG 14 10.674 3.397 -2.543
99 HA ARG 14 HA ARG 14 8.800 2.203 -0.642
100 HB2 ARG 14 HB2 ARG 14 9.278 4.548 -0.318
101 HB3 ARG 14 HB1 ARG 14 8.898 4.902 -1.996
102 HG2 ARG 14 HG2 ARG 14 6.566 4.406 -1.618
103 HG3 ARG 14 HG1 ARG 14 6.912 3.915 0.043
104 HD2 ARG 14 HD2 ARG 14 7.582 6.136 0.629
105 HD3 ARG 14 HD1 ARG 14 7.491 6.659 -1.050
106 HE ARG 14 HE ARG 14 5.044 6.266 -0.872
107 HH11 ARG 14 HH11 ARG 14 6.932 6.835 2.029
108 HH12 ARG 14 HH12 ARG 14 5.601 7.515 2.912
109 HH21 ARG 14 HH21 ARG 14 3.308 7.178 0.274
110 HH22 ARG 14 HH22 ARG 14 3.542 7.734 1.901
111 H VAL 15 HN VAL 15 7.623 0.645 -1.604
112 HA VAL 15 HA VAL 15 6.508 1.153 -4.253
113 HB VAL 15 HB VAL 15 5.876 -1.287 -4.110
114 HG11 VAL 15 HG11 VAL 15 7.753 -0.541 -5.443
115 HG12 VAL 15 HG12 VAL 15 8.151 -2.066 -4.651
116 HG13 VAL 15 HG13 VAL 15 8.791 -0.550 -4.018
117 HG21 VAL 15 HG21 VAL 15 7.097 -2.687 -2.528
118 HG22 VAL 15 HG22 VAL 15 6.029 -1.559 -1.693
119 HG23 VAL 15 HG23 VAL 15 7.763 -1.242 -1.767
120 H CYS 16 HN CYS 16 4.330 1.204 -4.607
121 HA CYS 16 HA CYS 16 2.636 1.158 -2.197
122 HB2 CYS 16 HB2 CYS 16 2.321 2.941 -4.618
123 HB3 CYS 16 HB1 CYS 16 1.291 2.939 -3.190
124 H HIS 17 HN HIS 17 0.715 0.107 -2.300
125 HA HIS 17 HA HIS 17 -0.142 -0.897 -4.910
126 HB2 HIS 17 HB2 HIS 17 -0.838 -3.056 -3.709
127 HB3 HIS 17 HB1 HIS 17 0.854 -2.849 -4.119
128 HD1 HIS 17 HD1 HIS 17 -1.410 -3.454 -1.300
129 HD2 HIS 17 HD2 HIS 17 2.536 -2.272 -1.828
130 HE1 HIS 17 HE1 HIS 17 -0.315 -3.749 0.936
131 HE2 HIS 17 HE2 HIS 17 2.124 -3.295 0.512
132 H ARG 18 HN ARG 18 -2.347 -1.461 -5.043
133 HA ARG 18 HA ARG 18 -3.944 0.360 -3.403
134 HB2 ARG 18 HB2 ARG 18 -5.680 -0.024 -5.194
135 HB3 ARG 18 HB1 ARG 18 -4.199 0.751 -5.737
136 HG2 ARG 18 HG2 ARG 18 -3.402 -1.368 -6.630
137 HG3 ARG 18 HG1 ARG 18 -4.868 -2.166 -6.066
138 HD2 ARG 18 HD2 ARG 18 -4.992 -1.654 -8.447
139 HD3 ARG 18 HD1 ARG 18 -6.207 -0.761 -7.537
140 HE ARG 18 HE ARG 18 -4.034 0.921 -7.735
141 HH11 ARG 18 HH11 ARG 18 -6.133 -0.761 -9.965
142 HH12 ARG 18 HH12 ARG 18 -6.049 0.471 -11.180
143 HH21 ARG 18 HH21 ARG 18 -3.902 2.547 -9.326
144 HH22 ARG 18 HH22 ARG 18 -4.775 2.369 -10.814
145 H ARG 19 HN ARG 19 -5.316 -0.326 -1.915
146 HA ARG 19 HA ARG 19 -5.535 -3.150 -1.402
147 HB2 ARG 19 HB2 ARG 19 -5.234 -1.561 0.438
148 HB3 ARG 19 HB1 ARG 19 -6.749 -0.774 0.020
149 HG2 ARG 19 HG2 ARG 19 -7.086 -2.195 1.923
150 HG3 ARG 19 HG1 ARG 19 -7.944 -2.870 0.538
151 HD2 ARG 19 HD2 ARG 19 -6.840 -4.655 1.707
152 HD3 ARG 19 HD1 ARG 19 -6.037 -4.400 0.162
153 HE ARG 19 HE ARG 19 -4.892 -3.075 2.493
154 HH11 ARG 19 HH11 ARG 19 -4.758 -5.718 0.200
155 HH12 ARG 19 HH12 ARG 19 -3.107 -6.109 0.554
156 HH21 ARG 19 HH21 ARG 19 -2.711 -3.594 2.967
157 HH22 ARG 19 HH22 ARG 19 -1.951 -4.918 2.142
158 H ALA 20 HN ALA 20 -7.208 -4.462 -1.789
159 HA ALA 20 HA ALA 20 -9.202 -5.264 -2.497
160 HB1 ALA 20 HB1 ALA 20 -11.195 -4.164 -1.679
161 HB2 ALA 20 HB2 ALA 20 -10.287 -2.682 -1.383
162 HB3 ALA 20 HB3 ALA 20 -9.939 -4.131 -0.441
163 H ASN 21 HN ASN 21 -7.887 -4.381 -4.608
164 HA ASN 21 HA ASN 21 -10.000 -3.132 -6.227
165 HB2 ASN 21 HB2 ASN 21 -7.202 -2.272 -5.897
166 HB3 ASN 21 HB1 ASN 21 -7.735 -2.400 -7.568
167 HD21 ASN 21 HD21 ASN 21 -9.932 -1.609 -4.981
168 HD22 ASN 21 HD22 ASN 21 -10.174 0.043 -5.438
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -16.409 -2.793 -2.386
2 H2 GLY 1 HT2 GLY 1 -15.996 -1.195 -2.755
3 H3 GLY 1 HT3 GLY 1 -16.437 -1.610 -1.176
4 HA2 GLY 1 HA1 GLY 1 -14.484 -3.021 -0.975
5 HA3 GLY 1 HA2 GLY 1 -14.021 -2.563 -2.607
6 H PHE 2 HN PHE 2 -12.459 -2.189 -0.253
7 HA PHE 2 HA PHE 2 -12.366 0.754 -0.149
8 HB2 PHE 2 HB2 PHE 2 -11.595 -1.249 1.983
9 HB3 PHE 2 HB1 PHE 2 -11.265 0.475 2.079
10 HD1 PHE 2 HD1 PHE 2 -13.005 2.050 2.563
11 HD2 PHE 2 HD2 PHE 2 -13.871 -2.097 2.189
12 HE1 PHE 2 HE1 PHE 2 -15.208 2.421 3.590
13 HE2 PHE 2 HE2 PHE 2 -16.076 -1.735 3.214
14 HZ PHE 2 HZ PHE 2 -16.746 0.528 3.916
15 H ALA 3 HN ALA 3 -10.870 1.145 -1.709
16 HA ALA 3 HA ALA 3 -8.396 -0.404 -1.725
17 HB1 ALA 3 HB1 ALA 3 -7.938 0.695 -3.859
18 HB2 ALA 3 HB2 ALA 3 -9.402 1.662 -3.679
19 HB3 ALA 3 HB3 ALA 3 -9.520 -0.089 -3.870
20 H TRP 4 HN TRP 4 -7.006 0.319 -0.250
21 HA TRP 4 HA TRP 4 -6.677 3.182 0.198
22 HB2 TRP 4 HB2 TRP 4 -4.842 1.193 1.438
23 HB3 TRP 4 HB1 TRP 4 -5.514 2.661 2.118
24 HD1 TRP 4 HD1 TRP 4 -6.004 -1.047 2.027
25 HE1 TRP 4 HE1 TRP 4 -8.047 -1.677 3.440
26 HE3 TRP 4 HE3 TRP 4 -7.905 3.600 2.728
27 HZ2 TRP 4 HZ2 TRP 4 -10.216 -0.352 4.699
28 HZ3 TRP 4 HZ3 TRP 4 -9.976 3.860 4.048
29 HH2 TRP 4 HH2 TRP 4 -11.104 1.919 5.012
30 H ASN 5 HN ASN 5 -5.089 4.368 -0.719
31 HA ASN 5 HA ASN 5 -3.091 3.086 -2.349
32 HB2 ASN 5 HB2 ASN 5 -2.223 5.367 -2.739
33 HB3 ASN 5 HB1 ASN 5 -3.947 5.261 -3.061
34 HD21 ASN 5 HD21 ASN 5 -5.394 6.299 -1.659
35 HD22 ASN 5 HD22 ASN 5 -4.867 7.530 -0.563
36 H VAL 6 HN VAL 6 -1.669 1.909 -1.251
37 HA VAL 6 HA VAL 6 -0.433 3.131 1.112
38 HB VAL 6 HB VAL 6 -1.809 1.489 2.061
39 HG11 VAL 6 HG11 VAL 6 -0.916 -0.450 -0.059
40 HG12 VAL 6 HG12 VAL 6 -2.485 0.355 0.019
41 HG13 VAL 6 HG13 VAL 6 -2.023 -0.800 1.269
42 HG21 VAL 6 HG21 VAL 6 0.889 0.205 1.663
43 HG22 VAL 6 HG22 VAL 6 -0.281 -0.240 2.905
44 HG23 VAL 6 HG23 VAL 6 0.456 1.364 2.921
45 H CYS 7 HN CYS 7 1.581 3.505 0.802
46 HA CYS 7 HA CYS 7 3.136 1.840 -1.037
47 HB2 CYS 7 HB2 CYS 7 3.974 4.468 0.185
48 HB3 CYS 7 HB1 CYS 7 4.656 3.665 -1.222
49 H VAL 8 HN VAL 8 4.697 0.517 -0.286
50 HA VAL 8 HA VAL 8 5.386 0.775 2.574
51 HB VAL 8 HB VAL 8 5.731 -1.704 2.586
52 HG11 VAL 8 HG11 VAL 8 3.737 -0.725 3.555
53 HG12 VAL 8 HG12 VAL 8 3.342 -2.253 2.767
54 HG13 VAL 8 HG13 VAL 8 2.945 -0.727 1.978
55 HG21 VAL 8 HG21 VAL 8 4.645 -3.038 0.845
56 HG22 VAL 8 HG22 VAL 8 5.954 -2.060 0.188
57 HG23 VAL 8 HG23 VAL 8 4.278 -1.567 -0.052
58 H TYR 9 HN TYR 9 7.502 -0.223 3.123
59 HA TYR 9 HA TYR 9 9.406 0.600 1.069
60 HB2 TYR 9 HB2 TYR 9 9.778 0.229 4.047
61 HB3 TYR 9 HB1 TYR 9 10.978 0.861 2.927
62 HD1 TYR 9 HD1 TYR 9 10.342 2.996 1.612
63 HD2 TYR 9 HD2 TYR 9 8.298 1.679 5.104
64 HE1 TYR 9 HE1 TYR 9 9.486 5.275 1.965
65 HE2 TYR 9 HE2 TYR 9 7.430 3.951 5.458
66 HH TYR 9 HH TYR 9 7.514 6.346 3.126
67 H ARG 10 HN ARG 10 9.979 -1.043 -0.155
68 HA ARG 10 HA ARG 10 10.512 -3.645 1.114
69 HB2 ARG 10 HB2 ARG 10 8.792 -3.535 -0.720
70 HB3 ARG 10 HB1 ARG 10 10.072 -3.048 -1.820
71 HG2 ARG 10 HG2 ARG 10 9.778 -5.342 -2.178
72 HG3 ARG 10 HG1 ARG 10 11.238 -5.212 -1.196
73 HD2 ARG 10 HD2 ARG 10 8.486 -5.793 -0.110
74 HD3 ARG 10 HD1 ARG 10 9.687 -7.025 -0.482
75 HE ARG 10 HE ARG 10 11.105 -5.730 1.218
76 HH11 ARG 10 HH11 ARG 10 7.627 -6.118 1.388
77 HH12 ARG 10 HH12 ARG 10 7.568 -5.963 3.114
78 HH21 ARG 10 HH21 ARG 10 11.032 -5.529 3.492
79 HH22 ARG 10 HH22 ARG 10 9.504 -5.638 4.310
80 H ASN 11 HN ASN 11 12.609 -3.594 1.703
81 HA ASN 11 HA ASN 11 14.877 -3.569 1.552
82 HB2 ASN 11 HB2 ASN 11 14.344 -3.713 -1.426
83 HB3 ASN 11 HB1 ASN 11 15.927 -3.905 -0.685
84 HD21 ASN 11 HD21 ASN 11 16.410 -5.794 0.398
85 HD22 ASN 11 HD22 ASN 11 15.420 -7.207 0.290
86 H GLY 12 HN GLY 12 13.300 -1.084 1.538
87 HA2 GLY 12 HA2 GLY 12 14.371 1.013 1.978
88 HA3 GLY 12 HA1 GLY 12 15.516 0.652 0.700
89 H VAL 13 HN VAL 13 13.066 -0.240 -0.980
90 HA VAL 13 HA VAL 13 12.629 2.476 -1.982
91 HB VAL 13 HB VAL 13 13.524 0.858 -3.583
92 HG11 VAL 13 HG11 VAL 13 12.528 -1.181 -2.739
93 HG12 VAL 13 HG12 VAL 13 12.143 -0.963 -4.447
94 HG13 VAL 13 HG13 VAL 13 10.928 -0.615 -3.218
95 HG21 VAL 13 HG21 VAL 13 12.198 2.699 -4.436
96 HG22 VAL 13 HG22 VAL 13 10.723 1.752 -4.239
97 HG23 VAL 13 HG23 VAL 13 11.941 1.256 -5.414
98 H ARG 14 HN ARG 14 10.702 3.394 -2.213
99 HA ARG 14 HA ARG 14 8.535 2.320 -0.637
100 HB2 ARG 14 HB2 ARG 14 9.256 4.717 -0.575
101 HB3 ARG 14 HB1 ARG 14 8.680 4.886 -2.226
102 HG2 ARG 14 HG2 ARG 14 6.424 4.207 -1.424
103 HG3 ARG 14 HG1 ARG 14 7.050 4.292 0.224
104 HD2 ARG 14 HD2 ARG 14 6.041 6.376 -0.142
105 HD3 ARG 14 HD1 ARG 14 7.768 6.660 -0.356
106 HE ARG 14 HE ARG 14 7.123 6.265 -2.854
107 HH11 ARG 14 HH11 ARG 14 5.311 8.023 -0.434
108 HH12 ARG 14 HH12 ARG 14 4.555 9.079 -1.583
109 HH21 ARG 14 HH21 ARG 14 6.142 7.664 -4.370
110 HH22 ARG 14 HH22 ARG 14 5.036 8.887 -3.820
111 H VAL 15 HN VAL 15 7.444 0.716 -1.670
112 HA VAL 15 HA VAL 15 6.667 1.148 -4.459
113 HB VAL 15 HB VAL 15 7.661 -1.005 -4.037
114 HG11 VAL 15 HG11 VAL 15 5.470 -1.471 -2.034
115 HG12 VAL 15 HG12 VAL 15 7.184 -1.260 -1.680
116 HG13 VAL 15 HG13 VAL 15 6.639 -2.674 -2.579
117 HG21 VAL 15 HG21 VAL 15 4.696 -1.231 -4.512
118 HG22 VAL 15 HG22 VAL 15 5.884 -2.479 -4.886
119 HG23 VAL 15 HG23 VAL 15 5.934 -0.932 -5.729
120 H CYS 16 HN CYS 16 4.765 1.960 -4.903
121 HA CYS 16 HA CYS 16 2.723 2.050 -2.830
122 HB2 CYS 16 HB2 CYS 16 2.945 3.466 -5.485
123 HB3 CYS 16 HB1 CYS 16 1.601 3.661 -4.366
124 H HIS 17 HN HIS 17 0.774 1.090 -2.967
125 HA HIS 17 HA HIS 17 -0.107 -0.106 -5.444
126 HB2 HIS 17 HB2 HIS 17 -0.491 -2.332 -4.342
127 HB3 HIS 17 HB1 HIS 17 1.183 -1.952 -4.673
128 HD1 HIS 17 HD1 HIS 17 -1.223 -2.547 -1.900
129 HD2 HIS 17 HD2 HIS 17 2.799 -1.633 -2.381
130 HE1 HIS 17 HE1 HIS 17 -0.187 -2.852 0.368
131 HE2 HIS 17 HE2 HIS 17 2.285 -2.606 -0.038
132 H ARG 18 HN ARG 18 -2.285 -0.974 -5.268
133 HA ARG 18 HA ARG 18 -3.805 0.617 -3.327
134 HB2 ARG 18 HB2 ARG 18 -5.744 0.303 -4.857
135 HB3 ARG 18 HB1 ARG 18 -4.401 1.163 -5.588
136 HG2 ARG 18 HG2 ARG 18 -3.740 -0.843 -6.790
137 HG3 ARG 18 HG1 ARG 18 -5.046 -1.747 -6.018
138 HD2 ARG 18 HD2 ARG 18 -5.702 -1.079 -8.256
139 HD3 ARG 18 HD1 ARG 18 -6.682 -0.236 -7.060
140 HE ARG 18 HE ARG 18 -4.439 1.333 -7.771
141 HH11 ARG 18 HH11 ARG 18 -7.529 0.263 -9.041
142 HH12 ARG 18 HH12 ARG 18 -7.731 1.655 -10.058
143 HH21 ARG 18 HH21 ARG 18 -4.712 3.160 -9.103
144 HH22 ARG 18 HH22 ARG 18 -6.127 3.296 -10.102
145 H ARG 19 HN ARG 19 -4.237 -0.486 -1.572
146 HA ARG 19 HA ARG 19 -4.540 -3.372 -1.649
147 HB2 ARG 19 HB2 ARG 19 -3.232 -2.260 0.134
148 HB3 ARG 19 HB1 ARG 19 -4.690 -1.449 0.677
149 HG2 ARG 19 HG2 ARG 19 -4.281 -3.296 2.117
150 HG3 ARG 19 HG1 ARG 19 -5.687 -3.683 1.129
151 HD2 ARG 19 HD2 ARG 19 -4.342 -5.067 -0.312
152 HD3 ARG 19 HD1 ARG 19 -2.877 -4.596 0.544
153 HE ARG 19 HE ARG 19 -4.481 -5.675 2.471
154 HH11 ARG 19 HH11 ARG 19 -3.226 -6.799 -0.594
155 HH12 ARG 19 HH12 ARG 19 -3.150 -8.457 -0.096
156 HH21 ARG 19 HH21 ARG 19 -4.392 -7.852 3.127
157 HH22 ARG 19 HH22 ARG 19 -3.826 -9.061 2.018
158 H ALA 20 HN ALA 20 -6.423 -4.401 -1.705
159 HA ALA 20 HA ALA 20 -8.857 -3.129 -0.751
160 HB1 ALA 20 HB1 ALA 20 -8.692 -2.391 -3.089
161 HB2 ALA 20 HB2 ALA 20 -10.069 -3.463 -2.833
162 HB3 ALA 20 HB3 ALA 20 -8.607 -4.074 -3.607
163 H ASN 21 HN ASN 21 -9.261 -4.681 0.713
164 HA ASN 21 HA ASN 21 -8.992 -7.490 0.053
165 HB2 ASN 21 HB2 ASN 21 -9.832 -6.063 2.584
166 HB3 ASN 21 HB1 ASN 21 -9.728 -7.814 2.435
167 HD21 ASN 21 HD21 ASN 21 -8.257 -5.880 4.119
168 HD22 ASN 21 HD22 ASN 21 -6.585 -6.174 3.794
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -16.106 1.979 -2.208
2 H2 GLY 1 HT2 GLY 1 -16.365 2.499 -3.797
3 H3 GLY 1 HT3 GLY 1 -15.033 3.067 -2.927
4 HA2 GLY 1 HA1 GLY 1 -15.475 0.260 -3.765
5 HA3 GLY 1 HA2 GLY 1 -14.370 1.392 -4.533
6 H PHE 2 HN PHE 2 -12.636 -0.040 -4.086
7 HA PHE 2 HA PHE 2 -11.827 -0.013 -1.260
8 HB2 PHE 2 HB2 PHE 2 -10.483 -2.068 -1.793
9 HB3 PHE 2 HB1 PHE 2 -12.224 -2.292 -1.853
10 HD1 PHE 2 HD1 PHE 2 -13.344 -2.276 -4.143
11 HD2 PHE 2 HD2 PHE 2 -9.139 -2.639 -3.606
12 HE1 PHE 2 HE1 PHE 2 -13.140 -3.237 -6.398
13 HE2 PHE 2 HE2 PHE 2 -8.928 -3.592 -5.863
14 HZ PHE 2 HZ PHE 2 -10.931 -3.892 -7.261
15 H ALA 3 HN ALA 3 -11.286 2.183 -2.612
16 HA ALA 3 HA ALA 3 -8.583 1.955 -3.700
17 HB1 ALA 3 HB1 ALA 3 -10.215 3.256 -4.984
18 HB2 ALA 3 HB2 ALA 3 -8.866 4.255 -4.444
19 HB3 ALA 3 HB3 ALA 3 -10.419 4.346 -3.612
20 H TRP 4 HN TRP 4 -7.514 1.527 -1.736
21 HA TRP 4 HA TRP 4 -6.955 3.990 -0.266
22 HB2 TRP 4 HB2 TRP 4 -6.409 2.192 1.639
23 HB3 TRP 4 HB1 TRP 4 -7.978 2.967 1.492
24 HD1 TRP 4 HD1 TRP 4 -6.244 -0.334 0.415
25 HE1 TRP 4 HE1 TRP 4 -8.031 -2.188 0.389
26 HE3 TRP 4 HE3 TRP 4 -10.338 2.501 1.516
27 HZ2 TRP 4 HZ2 TRP 4 -10.819 -2.407 0.797
28 HZ3 TRP 4 HZ3 TRP 4 -12.532 1.398 1.682
29 HH2 TRP 4 HH2 TRP 4 -12.764 -1.005 1.325
30 H ASN 5 HN ASN 5 -4.943 4.542 -0.674
31 HA ASN 5 HA ASN 5 -3.098 2.591 -1.747
32 HB2 ASN 5 HB2 ASN 5 -2.904 5.579 -1.359
33 HB3 ASN 5 HB1 ASN 5 -1.580 4.605 -1.981
34 HD21 ASN 5 HD21 ASN 5 -1.605 5.708 -3.933
35 HD22 ASN 5 HD22 ASN 5 -2.834 5.441 -5.121
36 H VAL 6 HN VAL 6 -1.391 1.752 -0.784
37 HA VAL 6 HA VAL 6 -0.680 2.669 1.920
38 HB VAL 6 HB VAL 6 -0.931 -0.209 1.006
39 HG11 VAL 6 HG11 VAL 6 0.967 0.071 2.500
40 HG12 VAL 6 HG12 VAL 6 -0.336 -0.795 3.314
41 HG13 VAL 6 HG13 VAL 6 -0.056 0.910 3.669
42 HG21 VAL 6 HG21 VAL 6 -3.095 0.777 1.474
43 HG22 VAL 6 HG22 VAL 6 -2.518 1.361 3.035
44 HG23 VAL 6 HG23 VAL 6 -2.668 -0.373 2.741
45 H CYS 7 HN CYS 7 1.265 3.554 1.610
46 HA CYS 7 HA CYS 7 3.109 2.352 -0.316
47 HB2 CYS 7 HB2 CYS 7 3.511 4.940 1.175
48 HB3 CYS 7 HB1 CYS 7 4.293 4.416 -0.307
49 H VAL 8 HN VAL 8 4.898 1.259 0.294
50 HA VAL 8 HA VAL 8 5.804 1.489 3.079
51 HB VAL 8 HB VAL 8 6.058 -1.003 3.184
52 HG11 VAL 8 HG11 VAL 8 3.240 0.028 2.913
53 HG12 VAL 8 HG12 VAL 8 4.254 0.130 4.351
54 HG13 VAL 8 HG13 VAL 8 3.724 -1.443 3.758
55 HG21 VAL 8 HG21 VAL 8 4.695 -2.384 1.690
56 HG22 VAL 8 HG22 VAL 8 5.924 -1.485 0.798
57 HG23 VAL 8 HG23 VAL 8 4.246 -0.944 0.772
58 H TYR 9 HN TYR 9 7.964 0.684 3.411
59 HA TYR 9 HA TYR 9 9.598 0.985 1.030
60 HB2 TYR 9 HB2 TYR 9 10.286 0.785 3.963
61 HB3 TYR 9 HB1 TYR 9 11.498 0.852 2.695
62 HD1 TYR 9 HD1 TYR 9 12.007 2.908 1.567
63 HD2 TYR 9 HD2 TYR 9 8.837 2.738 4.401
64 HE1 TYR 9 HE1 TYR 9 11.898 5.364 1.590
65 HE2 TYR 9 HE2 TYR 9 8.721 5.191 4.427
66 HH TYR 9 HH TYR 9 10.371 7.136 2.134
67 H ARG 10 HN ARG 10 9.789 -0.755 -0.171
68 HA ARG 10 HA ARG 10 10.211 -3.350 1.162
69 HB2 ARG 10 HB2 ARG 10 8.055 -3.257 -0.015
70 HB3 ARG 10 HB1 ARG 10 8.878 -2.780 -1.493
71 HG2 ARG 10 HG2 ARG 10 10.061 -4.939 -1.498
72 HG3 ARG 10 HG1 ARG 10 9.151 -5.413 -0.061
73 HD2 ARG 10 HD2 ARG 10 7.062 -5.163 -1.306
74 HD3 ARG 10 HD1 ARG 10 7.970 -4.688 -2.740
75 HE ARG 10 HE ARG 10 8.942 -7.166 -1.906
76 HH11 ARG 10 HH11 ARG 10 5.960 -5.803 -3.130
77 HH12 ARG 10 HH12 ARG 10 5.451 -7.272 -3.898
78 HH21 ARG 10 HH21 ARG 10 8.282 -9.107 -2.924
79 HH22 ARG 10 HH22 ARG 10 6.766 -9.158 -3.769
80 H ASN 11 HN ASN 11 12.231 -3.993 0.943
81 HA ASN 11 HA ASN 11 14.312 -4.374 0.129
82 HB2 ASN 11 HB2 ASN 11 12.898 -4.160 -2.535
83 HB3 ASN 11 HB1 ASN 11 14.529 -4.779 -2.309
84 HD21 ASN 11 HD21 ASN 11 14.007 -6.203 0.116
85 HD22 ASN 11 HD22 ASN 11 13.021 -7.564 -0.293
86 H GLY 12 HN GLY 12 13.404 -1.596 0.592
87 HA2 GLY 12 HA2 GLY 12 14.933 0.210 0.712
88 HA3 GLY 12 HA1 GLY 12 15.699 -0.373 -0.752
89 H VAL 13 HN VAL 13 12.534 -0.530 -1.525
90 HA VAL 13 HA VAL 13 12.544 2.264 -2.465
91 HB VAL 13 HB VAL 13 12.796 0.676 -4.309
92 HG11 VAL 13 HG11 VAL 13 10.956 -0.811 -4.959
93 HG12 VAL 13 HG12 VAL 13 10.109 -0.390 -3.470
94 HG13 VAL 13 HG13 VAL 13 11.647 -1.251 -3.396
95 HG21 VAL 13 HG21 VAL 13 10.985 1.501 -5.734
96 HG22 VAL 13 HG22 VAL 13 11.669 2.783 -4.733
97 HG23 VAL 13 HG23 VAL 13 10.123 2.058 -4.300
98 H ARG 14 HN ARG 14 10.766 3.489 -2.230
99 HA ARG 14 HA ARG 14 8.737 2.580 -0.387
100 HB2 ARG 14 HB2 ARG 14 9.690 4.889 -0.315
101 HB3 ARG 14 HB1 ARG 14 8.941 5.211 -1.870
102 HG2 ARG 14 HG2 ARG 14 6.729 4.759 -0.835
103 HG3 ARG 14 HG1 ARG 14 7.544 4.618 0.725
104 HD2 ARG 14 HD2 ARG 14 8.388 6.914 0.470
105 HD3 ARG 14 HD1 ARG 14 7.532 7.047 -1.064
106 HE ARG 14 HE ARG 14 6.121 6.568 1.478
107 HH11 ARG 14 HH11 ARG 14 6.519 8.342 -1.515
108 HH12 ARG 14 HH12 ARG 14 5.107 9.319 -1.274
109 HH21 ARG 14 HH21 ARG 14 4.255 7.861 1.798
110 HH22 ARG 14 HH22 ARG 14 3.813 9.040 0.604
111 H VAL 15 HN VAL 15 7.630 0.997 -1.491
112 HA VAL 15 HA VAL 15 6.434 1.621 -4.080
113 HB VAL 15 HB VAL 15 7.544 -0.581 -3.643
114 HG11 VAL 15 HG11 VAL 15 6.348 -2.298 -2.391
115 HG12 VAL 15 HG12 VAL 15 5.164 -1.093 -1.886
116 HG13 VAL 15 HG13 VAL 15 6.842 -0.953 -1.362
117 HG21 VAL 15 HG21 VAL 15 5.979 -0.335 -5.479
118 HG22 VAL 15 HG22 VAL 15 4.633 -0.690 -4.398
119 HG23 VAL 15 HG23 VAL 15 5.828 -1.936 -4.757
120 H CYS 16 HN CYS 16 4.204 1.764 -4.400
121 HA CYS 16 HA CYS 16 2.591 1.600 -1.953
122 HB2 CYS 16 HB2 CYS 16 3.169 3.979 -2.972
123 HB3 CYS 16 HB1 CYS 16 1.826 3.576 -4.033
124 H HIS 17 HN HIS 17 0.554 0.869 -2.156
125 HA HIS 17 HA HIS 17 -0.554 0.181 -4.724
126 HB2 HIS 17 HB2 HIS 17 -0.832 -2.215 -4.165
127 HB3 HIS 17 HB1 HIS 17 0.843 -1.769 -4.400
128 HD1 HIS 17 HD1 HIS 17 -1.482 -3.246 -1.960
129 HD2 HIS 17 HD2 HIS 17 2.371 -1.673 -1.939
130 HE1 HIS 17 HE1 HIS 17 -0.470 -3.955 0.230
131 HE2 HIS 17 HE2 HIS 17 1.908 -3.134 0.145
132 H ARG 18 HN ARG 18 -2.694 -0.655 -4.530
133 HA ARG 18 HA ARG 18 -4.076 0.436 -2.223
134 HB2 ARG 18 HB2 ARG 18 -5.128 -0.961 -4.693
135 HB3 ARG 18 HB1 ARG 18 -6.133 -0.238 -3.445
136 HG2 ARG 18 HG2 ARG 18 -5.208 1.955 -3.966
137 HG3 ARG 18 HG1 ARG 18 -4.174 1.230 -5.199
138 HD2 ARG 18 HD2 ARG 18 -6.178 0.457 -6.395
139 HD3 ARG 18 HD1 ARG 18 -7.187 1.235 -5.178
140 HE ARG 18 HE ARG 18 -5.329 3.034 -6.418
141 HH11 ARG 18 HH11 ARG 18 -8.456 1.508 -6.732
142 HH12 ARG 18 HH12 ARG 18 -9.104 2.733 -7.773
143 HH21 ARG 18 HH21 ARG 18 -6.166 4.655 -7.806
144 HH22 ARG 18 HH22 ARG 18 -7.802 4.540 -8.370
145 H ARG 19 HN ARG 19 -4.703 -0.726 -0.518
146 HA ARG 19 HA ARG 19 -3.693 -3.336 -0.166
147 HB2 ARG 19 HB2 ARG 19 -4.189 -1.572 1.621
148 HB3 ARG 19 HB1 ARG 19 -5.863 -2.088 1.519
149 HG2 ARG 19 HG2 ARG 19 -3.704 -4.083 2.044
150 HG3 ARG 19 HG1 ARG 19 -4.331 -3.079 3.347
151 HD2 ARG 19 HD2 ARG 19 -6.564 -3.915 2.961
152 HD3 ARG 19 HD1 ARG 19 -6.006 -4.837 1.567
153 HE ARG 19 HE ARG 19 -4.506 -5.655 3.768
154 HH11 ARG 19 HH11 ARG 19 -7.840 -5.698 2.719
155 HH12 ARG 19 HH12 ARG 19 -8.218 -7.179 3.536
156 HH21 ARG 19 HH21 ARG 19 -4.998 -7.616 4.863
157 HH22 ARG 19 HH22 ARG 19 -6.602 -8.272 4.762
158 H ALA 20 HN ALA 20 -4.506 -5.269 -0.546
159 HA ALA 20 HA ALA 20 -5.869 -6.947 -1.215
160 HB1 ALA 20 HB1 ALA 20 -7.382 -6.284 0.568
161 HB2 ALA 20 HB2 ALA 20 -8.286 -6.803 -0.855
162 HB3 ALA 20 HB3 ALA 20 -8.127 -5.085 -0.489
163 H ASN 21 HN ASN 21 -4.923 -4.792 -2.995
164 HA ASN 21 HA ASN 21 -6.684 -5.441 -5.247
165 HB2 ASN 21 HB2 ASN 21 -7.102 -3.103 -4.506
166 HB3 ASN 21 HB1 ASN 21 -5.404 -2.748 -4.789
167 HD21 ASN 21 HD21 ASN 21 -7.395 -4.817 -6.795
168 HD22 ASN 21 HD22 ASN 21 -7.381 -3.793 -8.187
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -13.431 -1.133 -4.267
2 H2 GLY 1 HT2 GLY 1 -15.083 -1.494 -4.273
3 H3 GLY 1 HT3 GLY 1 -14.129 -1.935 -2.952
4 HA2 GLY 1 HA1 GLY 1 -14.736 0.838 -3.802
5 HA3 GLY 1 HA2 GLY 1 -15.470 0.005 -2.441
6 H PHE 2 HN PHE 2 -13.488 -1.144 -1.100
7 HA PHE 2 HA PHE 2 -12.146 1.169 0.001
8 HB2 PHE 2 HB2 PHE 2 -12.086 -1.710 0.911
9 HB3 PHE 2 HB1 PHE 2 -11.479 -0.331 1.817
10 HD1 PHE 2 HD1 PHE 2 -13.263 1.562 2.238
11 HD2 PHE 2 HD2 PHE 2 -14.194 -2.500 1.390
12 HE1 PHE 2 HE1 PHE 2 -15.470 1.857 3.277
13 HE2 PHE 2 HE2 PHE 2 -16.407 -2.211 2.427
14 HZ PHE 2 HZ PHE 2 -17.045 -0.068 3.384
15 H ALA 3 HN ALA 3 -10.880 1.270 -2.131
16 HA ALA 3 HA ALA 3 -8.486 -0.427 -1.983
17 HB1 ALA 3 HB1 ALA 3 -9.407 1.402 -4.199
18 HB2 ALA 3 HB2 ALA 3 -9.572 -0.354 -4.170
19 HB3 ALA 3 HB3 ALA 3 -7.970 0.383 -4.232
20 H TRP 4 HN TRP 4 -7.245 0.510 -0.427
21 HA TRP 4 HA TRP 4 -6.752 3.390 -0.611
22 HB2 TRP 4 HB2 TRP 4 -5.263 2.098 1.494
23 HB3 TRP 4 HB1 TRP 4 -6.467 3.367 1.607
24 HD1 TRP 4 HD1 TRP 4 -6.154 -0.461 1.743
25 HE1 TRP 4 HE1 TRP 4 -8.189 -1.385 2.996
26 HE3 TRP 4 HE3 TRP 4 -8.815 3.853 2.191
27 HZ2 TRP 4 HZ2 TRP 4 -10.630 -0.402 4.034
28 HZ3 TRP 4 HZ3 TRP 4 -11.001 3.787 3.327
29 HH2 TRP 4 HH2 TRP 4 -11.888 1.699 4.230
30 H ASN 5 HN ASN 5 -4.912 4.202 -1.377
31 HA ASN 5 HA ASN 5 -2.859 2.457 -2.354
32 HB2 ASN 5 HB2 ASN 5 -1.682 4.570 -2.986
33 HB3 ASN 5 HB1 ASN 5 -3.307 4.441 -3.641
34 HD21 ASN 5 HD21 ASN 5 -1.203 6.183 -1.534
35 HD22 ASN 5 HD22 ASN 5 -2.303 7.455 -1.140
36 H VAL 6 HN VAL 6 -1.610 1.474 -0.967
37 HA VAL 6 HA VAL 6 -0.598 2.952 1.349
38 HB VAL 6 HB VAL 6 -1.769 1.191 2.296
39 HG11 VAL 6 HG11 VAL 6 -1.834 -1.100 1.472
40 HG12 VAL 6 HG12 VAL 6 -0.755 -0.653 0.149
41 HG13 VAL 6 HG13 VAL 6 -2.374 0.044 0.243
42 HG21 VAL 6 HG21 VAL 6 0.485 1.194 3.175
43 HG22 VAL 6 HG22 VAL 6 1.003 0.086 1.904
44 HG23 VAL 6 HG23 VAL 6 -0.148 -0.451 3.129
45 H CYS 7 HN CYS 7 1.415 3.459 1.296
46 HA CYS 7 HA CYS 7 3.230 2.114 -0.563
47 HB2 CYS 7 HB2 CYS 7 3.696 4.700 0.921
48 HB3 CYS 7 HB1 CYS 7 4.600 4.081 -0.457
49 H VAL 8 HN VAL 8 4.849 0.884 0.145
50 HA VAL 8 HA VAL 8 5.663 1.119 2.962
51 HB VAL 8 HB VAL 8 5.930 -1.380 3.032
52 HG11 VAL 8 HG11 VAL 8 4.082 -0.286 4.163
53 HG12 VAL 8 HG12 VAL 8 3.563 -1.831 3.489
54 HG13 VAL 8 HG13 VAL 8 3.128 -0.325 2.680
55 HG21 VAL 8 HG21 VAL 8 4.607 -2.724 1.461
56 HG22 VAL 8 HG22 VAL 8 5.890 -1.833 0.643
57 HG23 VAL 8 HG23 VAL 8 4.223 -1.267 0.546
58 H TYR 9 HN TYR 9 7.797 0.126 3.366
59 HA TYR 9 HA TYR 9 9.534 0.677 1.092
60 HB2 TYR 9 HB2 TYR 9 10.111 0.399 4.044
61 HB3 TYR 9 HB1 TYR 9 11.340 0.678 2.819
62 HD1 TYR 9 HD1 TYR 9 10.812 2.767 1.235
63 HD2 TYR 9 HD2 TYR 9 9.297 2.234 5.175
64 HE1 TYR 9 HE1 TYR 9 10.449 5.193 1.415
65 HE2 TYR 9 HE2 TYR 9 8.928 4.656 5.366
66 HH TYR 9 HH TYR 9 8.978 6.744 2.743
67 H ARG 10 HN ARG 10 9.910 -1.027 -0.126
68 HA ARG 10 HA ARG 10 10.732 -3.524 1.210
69 HB2 ARG 10 HB2 ARG 10 8.733 -3.880 -0.154
70 HB3 ARG 10 HB1 ARG 10 9.532 -3.161 -1.547
71 HG2 ARG 10 HG2 ARG 10 11.184 -4.980 -1.519
72 HG3 ARG 10 HG1 ARG 10 10.340 -5.705 -0.152
73 HD2 ARG 10 HD2 ARG 10 8.360 -6.031 -1.502
74 HD3 ARG 10 HD1 ARG 10 9.121 -5.205 -2.863
75 HE ARG 10 HE ARG 10 10.769 -7.330 -2.104
76 HH11 ARG 10 HH11 ARG 10 7.591 -6.832 -3.496
77 HH12 ARG 10 HH12 ARG 10 7.624 -8.312 -4.403
78 HH21 ARG 10 HH21 ARG 10 10.809 -9.273 -3.303
79 HH22 ARG 10 HH22 ARG 10 9.447 -9.697 -4.292
80 H ASN 11 HN ASN 11 12.835 -3.800 1.155
81 HA ASN 11 HA ASN 11 15.018 -3.768 0.542
82 HB2 ASN 11 HB2 ASN 11 14.077 -4.900 -1.510
83 HB3 ASN 11 HB1 ASN 11 14.035 -3.322 -2.288
84 HD21 ASN 11 HD21 ASN 11 15.478 -3.854 -3.873
85 HD22 ASN 11 HD22 ASN 11 17.158 -4.125 -3.568
86 H GLY 12 HN GLY 12 13.667 -1.370 1.338
87 HA2 GLY 12 HA2 GLY 12 14.392 0.795 1.712
88 HA3 GLY 12 HA1 GLY 12 15.665 0.542 0.529
89 H VAL 13 HN VAL 13 12.901 -0.408 -0.958
90 HA VAL 13 HA VAL 13 12.679 2.181 -2.312
91 HB VAL 13 HB VAL 13 11.555 -0.456 -3.245
92 HG11 VAL 13 HG11 VAL 13 10.551 1.477 -4.291
93 HG12 VAL 13 HG12 VAL 13 11.581 0.637 -5.450
94 HG13 VAL 13 HG13 VAL 13 12.142 2.123 -4.686
95 HG21 VAL 13 HG21 VAL 13 13.514 -0.679 -4.683
96 HG22 VAL 13 HG22 VAL 13 13.976 -0.674 -2.981
97 HG23 VAL 13 HG23 VAL 13 14.214 0.771 -3.963
98 H ARG 14 HN ARG 14 10.879 3.345 -2.259
99 HA ARG 14 HA ARG 14 8.690 2.556 -0.556
100 HB2 ARG 14 HB2 ARG 14 9.467 4.859 -0.527
101 HB3 ARG 14 HB1 ARG 14 9.170 5.016 -2.249
102 HG2 ARG 14 HG2 ARG 14 6.741 4.629 -1.772
103 HG3 ARG 14 HG1 ARG 14 7.135 4.742 -0.053
104 HD2 ARG 14 HD2 ARG 14 8.051 6.981 -0.413
105 HD3 ARG 14 HD1 ARG 14 7.660 6.868 -2.126
106 HE ARG 14 HE ARG 14 5.736 7.115 0.080
107 HH11 ARG 14 HH11 ARG 14 6.414 7.096 -3.359
108 HH12 ARG 14 HH12 ARG 14 4.902 7.828 -3.784
109 HH21 ARG 14 HH21 ARG 14 3.755 8.083 -0.480
110 HH22 ARG 14 HH22 ARG 14 3.389 8.390 -2.149
111 H VAL 15 HN VAL 15 7.246 1.144 -1.340
112 HA VAL 15 HA VAL 15 6.426 1.465 -4.147
113 HB VAL 15 HB VAL 15 7.520 -0.668 -3.780
114 HG11 VAL 15 HG11 VAL 15 6.555 -2.385 -2.327
115 HG12 VAL 15 HG12 VAL 15 5.389 -1.206 -1.726
116 HG13 VAL 15 HG13 VAL 15 7.112 -0.981 -1.417
117 HG21 VAL 15 HG21 VAL 15 5.718 -0.563 -5.414
118 HG22 VAL 15 HG22 VAL 15 4.550 -0.988 -4.165
119 HG23 VAL 15 HG23 VAL 15 5.784 -2.150 -4.649
120 H CYS 16 HN CYS 16 4.460 2.158 -4.502
121 HA CYS 16 HA CYS 16 2.498 2.044 -2.324
122 HB2 CYS 16 HB2 CYS 16 2.478 3.713 -4.839
123 HB3 CYS 16 HB1 CYS 16 1.322 3.821 -3.518
124 H HIS 17 HN HIS 17 0.778 0.787 -2.465
125 HA HIS 17 HA HIS 17 -0.015 -0.228 -5.095
126 HB2 HIS 17 HB2 HIS 17 -0.340 -2.492 -4.170
127 HB3 HIS 17 HB1 HIS 17 1.337 -1.996 -4.155
128 HD1 HIS 17 HD1 HIS 17 2.183 -1.114 -1.677
129 HD2 HIS 17 HD2 HIS 17 -1.242 -3.457 -1.815
130 HE1 HIS 17 HE1 HIS 17 1.803 -1.894 0.681
131 HE2 HIS 17 HE2 HIS 17 -0.098 -3.536 0.502
132 H ARG 18 HN ARG 18 -2.127 -1.115 -5.162
133 HA ARG 18 HA ARG 18 -3.947 0.408 -3.461
134 HB2 ARG 18 HB2 ARG 18 -4.486 -1.256 -5.929
135 HB3 ARG 18 HB1 ARG 18 -5.689 -0.307 -5.070
136 HG2 ARG 18 HG2 ARG 18 -4.490 1.735 -5.618
137 HG3 ARG 18 HG1 ARG 18 -3.250 0.791 -6.445
138 HD2 ARG 18 HD2 ARG 18 -6.166 0.933 -7.192
139 HD3 ARG 18 HD1 ARG 18 -4.840 1.733 -8.036
140 HE ARG 18 HE ARG 18 -4.090 -0.847 -8.110
141 HH11 ARG 18 HH11 ARG 18 -7.116 0.720 -8.922
142 HH12 ARG 18 HH12 ARG 18 -7.539 -0.444 -10.138
143 HH21 ARG 18 HH21 ARG 18 -4.646 -2.381 -9.705
144 HH22 ARG 18 HH22 ARG 18 -6.124 -2.198 -10.595
145 H ARG 19 HN ARG 19 -4.213 -0.636 -1.549
146 HA ARG 19 HA ARG 19 -4.579 -3.519 -1.540
147 HB2 ARG 19 HB2 ARG 19 -3.232 -2.413 0.221
148 HB3 ARG 19 HB1 ARG 19 -4.675 -1.579 0.774
149 HG2 ARG 19 HG2 ARG 19 -4.238 -3.472 2.188
150 HG3 ARG 19 HG1 ARG 19 -5.711 -3.759 1.261
151 HD2 ARG 19 HD2 ARG 19 -4.502 -5.169 -0.288
152 HD3 ARG 19 HD1 ARG 19 -2.982 -4.816 0.531
153 HE ARG 19 HE ARG 19 -4.807 -5.890 2.378
154 HH11 ARG 19 HH11 ARG 19 -2.865 -6.855 -0.369
155 HH12 ARG 19 HH12 ARG 19 -2.743 -8.508 0.133
156 HH21 ARG 19 HH21 ARG 19 -4.646 -8.073 3.046
157 HH22 ARG 19 HH22 ARG 19 -3.764 -9.204 2.069
158 H ALA 20 HN ALA 20 -6.462 -4.472 -1.592
159 HA ALA 20 HA ALA 20 -8.881 -3.101 -0.739
160 HB1 ALA 20 HB1 ALA 20 -8.628 -2.416 -3.079
161 HB2 ALA 20 HB2 ALA 20 -10.033 -3.460 -2.860
162 HB3 ALA 20 HB3 ALA 20 -8.553 -4.109 -3.566
163 H ASN 21 HN ASN 21 -9.070 -4.688 0.823
164 HA ASN 21 HA ASN 21 -8.867 -7.471 0.243
165 HB2 ASN 21 HB2 ASN 21 -10.038 -6.037 2.638
166 HB3 ASN 21 HB1 ASN 21 -9.794 -7.777 2.540
167 HD21 ASN 21 HD21 ASN 21 -8.374 -7.870 4.226
168 HD22 ASN 21 HD22 ASN 21 -6.776 -7.208 4.155
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -13.403 -2.542 -3.947
2 H2 GLY 1 HT2 GLY 1 -12.711 -1.111 -4.518
3 H3 GLY 1 HT3 GLY 1 -14.334 -1.450 -4.842
4 HA2 GLY 1 HA1 GLY 1 -14.164 0.194 -3.105
5 HA3 GLY 1 HA2 GLY 1 -14.872 -1.295 -2.501
6 H PHE 2 HN PHE 2 -13.454 0.848 -1.097
7 HA PHE 2 HA PHE 2 -11.974 1.130 0.596
8 HB2 PHE 2 HB2 PHE 2 -11.891 -1.891 0.637
9 HB3 PHE 2 HB1 PHE 2 -11.361 -0.824 1.932
10 HD1 PHE 2 HD1 PHE 2 -13.134 0.749 2.937
11 HD2 PHE 2 HD2 PHE 2 -14.070 -2.675 0.593
12 HE1 PHE 2 HE1 PHE 2 -15.396 0.717 3.896
13 HE2 PHE 2 HE2 PHE 2 -16.335 -2.713 1.552
14 HZ PHE 2 HZ PHE 2 -17.008 -1.012 3.183
15 H ALA 3 HN ALA 3 -10.911 1.340 -1.942
16 HA ALA 3 HA ALA 3 -8.378 -0.090 -1.946
17 HB1 ALA 3 HB1 ALA 3 -9.483 1.919 -3.900
18 HB2 ALA 3 HB2 ALA 3 -9.554 0.163 -4.063
19 HB3 ALA 3 HB3 ALA 3 -7.997 0.991 -4.102
20 H TRP 4 HN TRP 4 -7.109 0.723 -0.365
21 HA TRP 4 HA TRP 4 -6.660 3.606 -0.282
22 HB2 TRP 4 HB2 TRP 4 -5.057 1.798 1.431
23 HB3 TRP 4 HB1 TRP 4 -5.780 3.343 1.814
24 HD1 TRP 4 HD1 TRP 4 -6.243 -0.303 2.289
25 HE1 TRP 4 HE1 TRP 4 -8.495 -0.756 3.477
26 HE3 TRP 4 HE3 TRP 4 -8.284 4.321 1.853
27 HZ2 TRP 4 HZ2 TRP 4 -10.841 0.700 4.132
28 HZ3 TRP 4 HZ3 TRP 4 -10.537 4.736 2.776
29 HH2 TRP 4 HH2 TRP 4 -11.785 2.957 3.892
30 H ASN 5 HN ASN 5 -4.820 4.543 -1.028
31 HA ASN 5 HA ASN 5 -2.940 2.954 -2.513
32 HB2 ASN 5 HB2 ASN 5 -2.975 5.884 -1.760
33 HB3 ASN 5 HB1 ASN 5 -1.683 5.150 -2.700
34 HD21 ASN 5 HD21 ASN 5 -2.044 6.354 -4.505
35 HD22 ASN 5 HD22 ASN 5 -3.439 6.169 -5.505
36 H VAL 6 HN VAL 6 -1.838 1.600 -1.245
37 HA VAL 6 HA VAL 6 -0.776 2.576 1.295
38 HB VAL 6 HB VAL 6 -1.200 -0.247 0.296
39 HG11 VAL 6 HG11 VAL 6 -0.079 0.702 2.932
40 HG12 VAL 6 HG12 VAL 6 0.801 -0.164 1.673
41 HG13 VAL 6 HG13 VAL 6 -0.509 -0.963 2.543
42 HG21 VAL 6 HG21 VAL 6 -3.249 0.880 0.938
43 HG22 VAL 6 HG22 VAL 6 -2.538 1.326 2.490
44 HG23 VAL 6 HG23 VAL 6 -2.839 -0.371 2.113
45 H CYS 7 HN CYS 7 1.161 3.366 1.113
46 HA CYS 7 HA CYS 7 3.105 2.070 -0.659
47 HB2 CYS 7 HB2 CYS 7 3.287 4.754 0.713
48 HB3 CYS 7 HB1 CYS 7 4.413 4.115 -0.473
49 H VAL 8 HN VAL 8 4.755 0.958 0.150
50 HA VAL 8 HA VAL 8 5.484 1.329 2.973
51 HB VAL 8 HB VAL 8 5.786 -1.182 3.154
52 HG11 VAL 8 HG11 VAL 8 3.986 -0.027 4.297
53 HG12 VAL 8 HG12 VAL 8 3.432 -1.595 3.704
54 HG13 VAL 8 HG13 VAL 8 2.982 -0.117 2.850
55 HG21 VAL 8 HG21 VAL 8 4.405 -2.583 1.686
56 HG22 VAL 8 HG22 VAL 8 5.661 -1.733 0.786
57 HG23 VAL 8 HG23 VAL 8 3.995 -1.162 0.726
58 H TYR 9 HN TYR 9 7.632 0.716 3.471
59 HA TYR 9 HA TYR 9 9.384 0.948 1.169
60 HB2 TYR 9 HB2 TYR 9 9.800 1.200 4.133
61 HB3 TYR 9 HB1 TYR 9 11.164 1.071 3.029
62 HD1 TYR 9 HD1 TYR 9 11.786 2.913 1.603
63 HD2 TYR 9 HD2 TYR 9 8.302 3.145 4.036
64 HE1 TYR 9 HE1 TYR 9 11.657 5.333 1.181
65 HE2 TYR 9 HE2 TYR 9 8.163 5.561 3.616
66 HH TYR 9 HH TYR 9 10.029 7.125 1.218
67 H ARG 10 HN ARG 10 10.047 -0.780 0.171
68 HA ARG 10 HA ARG 10 10.814 -3.137 1.739
69 HB2 ARG 10 HB2 ARG 10 9.084 -3.178 -0.733
70 HB3 ARG 10 HB1 ARG 10 9.800 -4.603 0.013
71 HG2 ARG 10 HG2 ARG 10 8.548 -4.117 2.076
72 HG3 ARG 10 HG1 ARG 10 7.782 -2.751 1.262
73 HD2 ARG 10 HD2 ARG 10 6.295 -4.619 1.182
74 HD3 ARG 10 HD1 ARG 10 6.918 -4.326 -0.439
75 HE ARG 10 HE ARG 10 8.512 -6.248 0.896
76 HH11 ARG 10 HH11 ARG 10 5.412 -5.850 -0.660
77 HH12 ARG 10 HH12 ARG 10 5.268 -7.522 -1.098
78 HH21 ARG 10 HH21 ARG 10 8.337 -8.452 0.319
79 HH22 ARG 10 HH22 ARG 10 6.933 -9.005 -0.537
80 H ASN 11 HN ASN 11 12.729 -3.953 1.115
81 HA ASN 11 HA ASN 11 14.723 -4.147 0.049
82 HB2 ASN 11 HB2 ASN 11 13.084 -3.542 -2.424
83 HB3 ASN 11 HB1 ASN 11 14.741 -4.136 -2.429
84 HD21 ASN 11 HD21 ASN 11 11.420 -4.929 -1.959
85 HD22 ASN 11 HD22 ASN 11 11.626 -6.641 -1.823
86 H GLY 12 HN GLY 12 13.802 -1.568 1.077
87 HA2 GLY 12 HA2 GLY 12 14.965 0.411 1.375
88 HA3 GLY 12 HA1 GLY 12 15.984 -0.018 0.014
89 H VAL 13 HN VAL 13 12.680 -0.214 -0.769
90 HA VAL 13 HA VAL 13 12.648 2.574 -1.690
91 HB VAL 13 HB VAL 13 13.355 1.146 -3.568
92 HG11 VAL 13 HG11 VAL 13 12.222 -0.916 -2.999
93 HG12 VAL 13 HG12 VAL 13 11.764 -0.391 -4.620
94 HG13 VAL 13 HG13 VAL 13 10.659 -0.148 -3.269
95 HG21 VAL 13 HG21 VAL 13 11.709 1.964 -5.209
96 HG22 VAL 13 HG22 VAL 13 12.186 3.204 -4.052
97 HG23 VAL 13 HG23 VAL 13 10.631 2.389 -3.881
98 H ARG 14 HN ARG 14 10.645 3.544 -1.815
99 HA ARG 14 HA ARG 14 8.542 2.318 -0.271
100 HB2 ARG 14 HB2 ARG 14 9.143 4.720 -0.070
101 HB3 ARG 14 HB1 ARG 14 8.606 4.966 -1.726
102 HG2 ARG 14 HG2 ARG 14 6.346 4.254 -1.069
103 HG3 ARG 14 HG1 ARG 14 6.904 4.111 0.602
104 HD2 ARG 14 HD2 ARG 14 5.876 6.234 0.420
105 HD3 ARG 14 HD1 ARG 14 7.617 6.513 0.446
106 HE ARG 14 HE ARG 14 7.012 6.372 -2.205
107 HH11 ARG 14 HH11 ARG 14 5.819 8.297 0.470
108 HH12 ARG 14 HH12 ARG 14 5.431 9.664 -0.525
109 HH21 ARG 14 HH21 ARG 14 6.506 8.176 -3.509
110 HH22 ARG 14 HH22 ARG 14 5.827 9.598 -2.782
111 H VAL 15 HN VAL 15 7.388 0.799 -1.291
112 HA VAL 15 HA VAL 15 6.645 1.205 -4.091
113 HB VAL 15 HB VAL 15 7.604 -0.974 -3.491
114 HG11 VAL 15 HG11 VAL 15 6.371 -2.569 -2.123
115 HG12 VAL 15 HG12 VAL 15 5.177 -1.327 -1.751
116 HG13 VAL 15 HG13 VAL 15 6.840 -1.146 -1.195
117 HG21 VAL 15 HG21 VAL 15 5.891 -2.392 -4.524
118 HG22 VAL 15 HG22 VAL 15 6.075 -0.853 -5.366
119 HG23 VAL 15 HG23 VAL 15 4.704 -1.110 -4.286
120 H CYS 16 HN CYS 16 4.604 1.622 -4.721
121 HA CYS 16 HA CYS 16 2.590 1.861 -2.592
122 HB2 CYS 16 HB2 CYS 16 2.885 3.455 -5.140
123 HB3 CYS 16 HB1 CYS 16 1.551 3.612 -4.006
124 H HIS 17 HN HIS 17 0.661 0.912 -2.845
125 HA HIS 17 HA HIS 17 -0.125 -0.154 -5.424
126 HB2 HIS 17 HB2 HIS 17 -0.572 -2.423 -4.361
127 HB3 HIS 17 HB1 HIS 17 1.101 -2.038 -4.718
128 HD1 HIS 17 HD1 HIS 17 2.645 -2.661 -2.888
129 HD2 HIS 17 HD2 HIS 17 -1.155 -1.762 -1.457
130 HE1 HIS 17 HE1 HIS 17 2.752 -3.016 -0.400
131 HE2 HIS 17 HE2 HIS 17 0.387 -2.705 0.393
132 H ARG 18 HN ARG 18 -2.281 -1.006 -5.424
133 HA ARG 18 HA ARG 18 -3.990 0.506 -3.619
134 HB2 ARG 18 HB2 ARG 18 -5.825 -0.345 -5.155
135 HB3 ARG 18 HB1 ARG 18 -4.638 0.723 -5.886
136 HG2 ARG 18 HG2 ARG 18 -3.481 -1.246 -6.812
137 HG3 ARG 18 HG1 ARG 18 -4.743 -2.277 -6.137
138 HD2 ARG 18 HD2 ARG 18 -6.408 -1.212 -7.512
139 HD3 ARG 18 HD1 ARG 18 -5.229 -0.037 -8.096
140 HE ARG 18 HE ARG 18 -4.403 -2.706 -8.647
141 HH11 ARG 18 HH11 ARG 18 -6.610 -0.221 -9.724
142 HH12 ARG 18 HH12 ARG 18 -6.601 -0.743 -11.376
143 HH21 ARG 18 HH21 ARG 18 -4.402 -3.417 -10.824
144 HH22 ARG 18 HH22 ARG 18 -5.352 -2.565 -12.002
145 H ARG 19 HN ARG 19 -4.624 -0.361 -1.804
146 HA ARG 19 HA ARG 19 -4.329 -3.130 -1.209
147 HB2 ARG 19 HB2 ARG 19 -4.158 -1.195 0.416
148 HB3 ARG 19 HB1 ARG 19 -5.909 -1.083 0.349
149 HG2 ARG 19 HG2 ARG 19 -5.287 -2.293 2.313
150 HG3 ARG 19 HG1 ARG 19 -6.043 -3.414 1.181
151 HD2 ARG 19 HD2 ARG 19 -3.908 -4.289 0.529
152 HD3 ARG 19 HD1 ARG 19 -3.063 -3.055 1.464
153 HE ARG 19 HE ARG 19 -4.680 -4.434 3.242
154 HH11 ARG 19 HH11 ARG 19 -1.985 -5.174 1.133
155 HH12 ARG 19 HH12 ARG 19 -1.373 -6.433 2.157
156 HH21 ARG 19 HH21 ARG 19 -3.877 -6.086 4.583
157 HH22 ARG 19 HH22 ARG 19 -2.444 -6.951 4.122
158 H ALA 20 HN ALA 20 -5.854 -4.726 -1.011
159 HA ALA 20 HA ALA 20 -7.748 -5.907 -1.367
160 HB1 ALA 20 HB1 ALA 20 -9.175 -3.291 -0.916
161 HB2 ALA 20 HB2 ALA 20 -8.642 -4.392 0.353
162 HB3 ALA 20 HB3 ALA 20 -9.870 -4.908 -0.800
163 H ASN 21 HN ASN 21 -6.809 -5.936 -3.606
164 HA ASN 21 HA ASN 21 -8.590 -4.578 -5.502
165 HB2 ASN 21 HB2 ASN 21 -6.786 -5.226 -7.206
166 HB3 ASN 21 HB1 ASN 21 -6.405 -3.947 -6.065
167 HD21 ASN 21 HD21 ASN 21 -6.378 -7.409 -5.369
168 HD22 ASN 21 HD22 ASN 21 -4.669 -7.511 -5.094
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -13.613 1.315 -5.667
2 H2 GLY 1 HT2 GLY 1 -13.769 2.956 -5.297
3 H3 GLY 1 HT3 GLY 1 -14.926 2.193 -6.266
4 HA2 GLY 1 HA1 GLY 1 -15.782 2.519 -4.042
5 HA3 GLY 1 HA2 GLY 1 -15.626 0.811 -4.427
6 H PHE 2 HN PHE 2 -12.859 0.526 -4.117
7 HA PHE 2 HA PHE 2 -12.519 1.083 -1.241
8 HB2 PHE 2 HB2 PHE 2 -11.519 -1.345 -2.751
9 HB3 PHE 2 HB1 PHE 2 -11.370 -1.051 -1.021
10 HD1 PHE 2 HD1 PHE 2 -13.248 -2.658 -3.513
11 HD2 PHE 2 HD2 PHE 2 -13.640 -0.694 0.237
12 HE1 PHE 2 HE1 PHE 2 -15.386 -3.815 -3.138
13 HE2 PHE 2 HE2 PHE 2 -15.776 -1.846 0.619
14 HZ PHE 2 HZ PHE 2 -16.662 -3.400 -1.092
15 H ALA 3 HN ALA 3 -11.522 3.062 -2.245
16 HA ALA 3 HA ALA 3 -8.941 2.575 -3.520
17 HB1 ALA 3 HB1 ALA 3 -10.464 4.162 -4.593
18 HB2 ALA 3 HB2 ALA 3 -8.965 4.941 -4.081
19 HB3 ALA 3 HB3 ALA 3 -10.439 5.162 -3.140
20 H TRP 4 HN TRP 4 -7.846 1.853 -1.634
21 HA TRP 4 HA TRP 4 -6.812 4.157 -0.180
22 HB2 TRP 4 HB2 TRP 4 -6.282 2.297 1.621
23 HB3 TRP 4 HB1 TRP 4 -7.785 3.201 1.642
24 HD1 TRP 4 HD1 TRP 4 -6.449 -0.242 0.424
25 HE1 TRP 4 HE1 TRP 4 -8.396 -1.929 0.617
26 HE3 TRP 4 HE3 TRP 4 -10.152 2.959 1.883
27 HZ2 TRP 4 HZ2 TRP 4 -11.136 -1.894 1.309
28 HZ3 TRP 4 HZ3 TRP 4 -12.405 2.059 2.300
29 HH2 TRP 4 HH2 TRP 4 -12.883 -0.320 2.017
30 H ASN 5 HN ASN 5 -4.772 4.469 -0.590
31 HA ASN 5 HA ASN 5 -3.226 2.291 -1.760
32 HB2 ASN 5 HB2 ASN 5 -1.587 3.995 -2.388
33 HB3 ASN 5 HB1 ASN 5 -3.192 4.447 -2.944
34 HD21 ASN 5 HD21 ASN 5 -4.236 6.193 -1.994
35 HD22 ASN 5 HD22 ASN 5 -3.393 7.348 -1.025
36 H VAL 6 HN VAL 6 -1.670 1.273 -0.759
37 HA VAL 6 HA VAL 6 -0.793 2.246 1.872
38 HB VAL 6 HB VAL 6 -1.109 -0.581 0.845
39 HG11 VAL 6 HG11 VAL 6 0.990 -0.456 2.070
40 HG12 VAL 6 HG12 VAL 6 -0.216 -1.328 3.014
41 HG13 VAL 6 HG13 VAL 6 0.179 0.343 3.417
42 HG21 VAL 6 HG21 VAL 6 -2.340 0.899 3.166
43 HG22 VAL 6 HG22 VAL 6 -2.577 -0.812 2.810
44 HG23 VAL 6 HG23 VAL 6 -3.151 0.411 1.676
45 H CYS 7 HN CYS 7 1.121 3.148 1.659
46 HA CYS 7 HA CYS 7 3.035 2.115 -0.291
47 HB2 CYS 7 HB2 CYS 7 3.238 4.572 1.454
48 HB3 CYS 7 HB1 CYS 7 4.283 4.156 0.104
49 H VAL 8 HN VAL 8 4.780 0.977 0.285
50 HA VAL 8 HA VAL 8 5.640 1.038 3.090
51 HB VAL 8 HB VAL 8 6.042 -1.451 2.985
52 HG11 VAL 8 HG11 VAL 8 4.225 -0.532 4.293
53 HG12 VAL 8 HG12 VAL 8 3.717 -2.036 3.525
54 HG13 VAL 8 HG13 VAL 8 3.188 -0.489 2.868
55 HG21 VAL 8 HG21 VAL 8 4.690 -2.754 1.410
56 HG22 VAL 8 HG22 VAL 8 5.877 -1.751 0.576
57 HG23 VAL 8 HG23 VAL 8 4.182 -1.263 0.618
58 H TYR 9 HN TYR 9 7.813 0.413 3.424
59 HA TYR 9 HA TYR 9 9.487 0.877 1.080
60 HB2 TYR 9 HB2 TYR 9 10.115 0.861 4.038
61 HB3 TYR 9 HB1 TYR 9 11.299 1.148 2.774
62 HD1 TYR 9 HD1 TYR 9 11.285 3.231 1.499
63 HD2 TYR 9 HD2 TYR 9 8.483 2.538 4.623
64 HE1 TYR 9 HE1 TYR 9 10.734 5.624 1.526
65 HE2 TYR 9 HE2 TYR 9 7.925 4.931 4.659
66 HH TYR 9 HH TYR 9 8.969 7.073 4.019
67 H ARG 10 HN ARG 10 9.895 -0.941 0.002
68 HA ARG 10 HA ARG 10 10.812 -3.257 1.568
69 HB2 ARG 10 HB2 ARG 10 9.046 -3.334 -0.881
70 HB3 ARG 10 HB1 ARG 10 9.754 -4.744 -0.104
71 HG2 ARG 10 HG2 ARG 10 7.804 -2.835 1.150
72 HG3 ARG 10 HG1 ARG 10 7.424 -4.445 0.535
73 HD2 ARG 10 HD2 ARG 10 8.963 -5.417 2.179
74 HD3 ARG 10 HD1 ARG 10 9.321 -3.803 2.791
75 HE ARG 10 HE ARG 10 6.747 -5.203 3.038
76 HH11 ARG 10 HH11 ARG 10 8.913 -2.619 4.002
77 HH12 ARG 10 HH12 ARG 10 7.984 -2.197 5.406
78 HH21 ARG 10 HH21 ARG 10 5.519 -4.635 4.882
79 HH22 ARG 10 HH22 ARG 10 6.061 -3.348 5.909
80 H ASN 11 HN ASN 11 12.743 -3.878 1.071
81 HA ASN 11 HA ASN 11 14.735 -4.159 0.027
82 HB2 ASN 11 HB2 ASN 11 13.052 -3.999 -2.486
83 HB3 ASN 11 HB1 ASN 11 14.738 -4.505 -2.438
84 HD21 ASN 11 HD21 ASN 11 11.467 -5.378 -1.754
85 HD22 ASN 11 HD22 ASN 11 11.762 -7.040 -1.379
86 H GLY 12 HN GLY 12 13.730 -1.484 0.675
87 HA2 GLY 12 HA2 GLY 12 15.003 0.465 0.757
88 HA3 GLY 12 HA1 GLY 12 15.900 -0.082 -0.646
89 H VAL 13 HN VAL 13 12.543 -0.316 -1.120
90 HA VAL 13 HA VAL 13 12.500 2.353 -2.348
91 HB VAL 13 HB VAL 13 12.913 0.587 -4.064
92 HG11 VAL 13 HG11 VAL 13 10.130 -0.295 -3.342
93 HG12 VAL 13 HG12 VAL 13 11.616 -1.225 -3.147
94 HG13 VAL 13 HG13 VAL 13 11.028 -0.828 -4.762
95 HG21 VAL 13 HG21 VAL 13 11.247 1.414 -5.662
96 HG22 VAL 13 HG22 VAL 13 11.945 2.716 -4.698
97 HG23 VAL 13 HG23 VAL 13 10.332 2.111 -4.325
98 H ARG 14 HN ARG 14 10.542 3.379 -2.440
99 HA ARG 14 HA ARG 14 8.532 2.445 -0.551
100 HB2 ARG 14 HB2 ARG 14 9.275 4.758 -0.368
101 HB3 ARG 14 HB1 ARG 14 8.843 5.055 -2.046
102 HG2 ARG 14 HG2 ARG 14 6.475 4.559 -1.451
103 HG3 ARG 14 HG1 ARG 14 6.975 4.479 0.239
104 HD2 ARG 14 HD2 ARG 14 7.779 6.783 0.110
105 HD3 ARG 14 HD1 ARG 14 7.293 6.862 -1.582
106 HE ARG 14 HE ARG 14 5.289 6.313 0.491
107 HH11 ARG 14 HH11 ARG 14 6.574 8.428 -1.991
108 HH12 ARG 14 HH12 ARG 14 5.142 9.401 -2.077
109 HH21 ARG 14 HH21 ARG 14 3.409 7.608 0.388
110 HH22 ARG 14 HH22 ARG 14 3.348 8.941 -0.719
111 H VAL 15 HN VAL 15 7.079 1.070 -1.381
112 HA VAL 15 HA VAL 15 6.100 1.575 -4.107
113 HB VAL 15 HB VAL 15 7.078 -0.628 -3.853
114 HG11 VAL 15 HG11 VAL 15 6.781 -0.952 -1.467
115 HG12 VAL 15 HG12 VAL 15 6.124 -2.318 -2.369
116 HG13 VAL 15 HG13 VAL 15 5.039 -1.106 -1.691
117 HG21 VAL 15 HG21 VAL 15 5.210 -0.423 -5.382
118 HG22 VAL 15 HG22 VAL 15 4.075 -0.737 -4.072
119 HG23 VAL 15 HG23 VAL 15 5.181 -2.003 -4.601
120 H CYS 16 HN CYS 16 4.114 2.294 -4.390
121 HA CYS 16 HA CYS 16 2.225 2.116 -2.145
122 HB2 CYS 16 HB2 CYS 16 2.268 4.060 -4.454
123 HB3 CYS 16 HB1 CYS 16 1.074 4.042 -3.165
124 H HIS 17 HN HIS 17 0.438 0.980 -2.384
125 HA HIS 17 HA HIS 17 -0.732 0.471 -4.969
126 HB2 HIS 17 HB2 HIS 17 -0.687 -1.980 -4.723
127 HB3 HIS 17 HB1 HIS 17 0.916 -1.312 -4.929
128 HD1 HIS 17 HD1 HIS 17 -1.236 -3.159 -2.524
129 HD2 HIS 17 HD2 HIS 17 2.587 -1.521 -2.632
130 HE1 HIS 17 HE1 HIS 17 -0.051 -4.064 -0.501
131 HE2 HIS 17 HE2 HIS 17 2.300 -3.190 -0.673
132 H ARG 18 HN ARG 18 -2.740 -0.684 -4.795
133 HA ARG 18 HA ARG 18 -4.284 0.079 -2.510
134 HB2 ARG 18 HB2 ARG 18 -4.921 -1.798 -4.799
135 HB3 ARG 18 HB1 ARG 18 -6.086 -1.257 -3.599
136 HG2 ARG 18 HG2 ARG 18 -5.990 0.973 -4.374
137 HG3 ARG 18 HG1 ARG 18 -4.573 0.636 -5.372
138 HD2 ARG 18 HD2 ARG 18 -7.331 -0.520 -5.763
139 HD3 ARG 18 HD1 ARG 18 -6.602 0.764 -6.730
140 HE ARG 18 HE ARG 18 -4.835 -1.326 -6.863
141 HH11 ARG 18 HH11 ARG 18 -8.201 -0.851 -7.688
142 HH12 ARG 18 HH12 ARG 18 -8.179 -2.026 -8.963
143 HH21 ARG 18 HH21 ARG 18 -4.806 -2.884 -8.510
144 HH22 ARG 18 HH22 ARG 18 -6.246 -3.190 -9.425
145 H ARG 19 HN ARG 19 -4.799 -1.103 -0.728
146 HA ARG 19 HA ARG 19 -3.268 -3.451 -0.197
147 HB2 ARG 19 HB2 ARG 19 -3.834 -1.900 1.597
148 HB3 ARG 19 HB1 ARG 19 -5.545 -2.240 1.381
149 HG2 ARG 19 HG2 ARG 19 -5.204 -4.534 2.069
150 HG3 ARG 19 HG1 ARG 19 -3.468 -4.262 2.202
151 HD2 ARG 19 HD2 ARG 19 -3.840 -2.650 3.985
152 HD3 ARG 19 HD1 ARG 19 -5.582 -2.859 3.829
153 HE ARG 19 HE ARG 19 -4.436 -5.368 4.292
154 HH11 ARG 19 HH11 ARG 19 -4.891 -2.336 5.982
155 HH12 ARG 19 HH12 ARG 19 -4.964 -3.080 7.546
156 HH21 ARG 19 HH21 ARG 19 -4.538 -6.348 6.342
157 HH22 ARG 19 HH22 ARG 19 -4.760 -5.361 7.754
158 H ALA 20 HN ALA 20 -3.720 -5.441 -0.701
159 HA ALA 20 HA ALA 20 -6.277 -6.086 -1.905
160 HB1 ALA 20 HB1 ALA 20 -5.221 -8.207 -2.506
161 HB2 ALA 20 HB2 ALA 20 -3.808 -7.782 -1.541
162 HB3 ALA 20 HB3 ALA 20 -4.213 -6.839 -2.974
163 H ASN 21 HN ASN 21 -6.996 -5.564 0.507
164 HA ASN 21 HA ASN 21 -7.096 -8.108 1.982
165 HB2 ASN 21 HB2 ASN 21 -6.115 -6.243 3.262
166 HB3 ASN 21 HB1 ASN 21 -7.570 -5.292 2.995
167 HD21 ASN 21 HD21 ASN 21 -6.177 -7.981 4.698
168 HD22 ASN 21 HD22 ASN 21 -7.451 -8.164 5.852
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -14.438 -0.590 -3.142
2 H2 GLY 1 HT2 GLY 1 -15.833 0.026 -2.417
3 H3 GLY 1 HT3 GLY 1 -15.623 -1.646 -2.560
4 HA2 GLY 1 HA1 GLY 1 -15.194 -0.930 -0.301
5 HA3 GLY 1 HA2 GLY 1 -13.757 -1.595 -1.057
6 H PHE 2 HN PHE 2 -13.297 -0.097 1.077
7 HA PHE 2 HA PHE 2 -12.956 2.666 0.562
8 HB2 PHE 2 HB2 PHE 2 -11.648 0.825 2.564
9 HB3 PHE 2 HB1 PHE 2 -11.346 2.557 2.505
10 HD1 PHE 2 HD1 PHE 2 -13.451 4.077 2.652
11 HD2 PHE 2 HD2 PHE 2 -13.344 0.010 3.896
12 HE1 PHE 2 HE1 PHE 2 -15.391 4.477 4.109
13 HE2 PHE 2 HE2 PHE 2 -15.286 0.402 5.351
14 HZ PHE 2 HZ PHE 2 -16.312 2.639 5.461
15 H ALA 3 HN ALA 3 -11.475 3.673 -0.580
16 HA ALA 3 HA ALA 3 -9.333 2.121 -1.780
17 HB1 ALA 3 HB1 ALA 3 -10.705 3.563 -3.209
18 HB2 ALA 3 HB2 ALA 3 -9.009 4.042 -3.237
19 HB3 ALA 3 HB3 ALA 3 -10.174 4.970 -2.294
20 H TRP 4 HN TRP 4 -8.030 1.874 0.111
21 HA TRP 4 HA TRP 4 -6.537 4.306 0.759
22 HB2 TRP 4 HB2 TRP 4 -5.425 2.469 2.388
23 HB3 TRP 4 HB1 TRP 4 -6.781 3.487 2.840
24 HD1 TRP 4 HD1 TRP 4 -6.411 -0.013 1.147
25 HE1 TRP 4 HE1 TRP 4 -8.160 -1.567 2.225
26 HE3 TRP 4 HE3 TRP 4 -8.556 3.321 4.314
27 HZ2 TRP 4 HZ2 TRP 4 -10.187 -1.388 4.191
28 HZ3 TRP 4 HZ3 TRP 4 -10.393 2.569 5.784
29 HH2 TRP 4 HH2 TRP 4 -11.189 0.257 5.716
30 H ASN 5 HN ASN 5 -4.613 4.621 -0.125
31 HA ASN 5 HA ASN 5 -3.464 2.580 -1.811
32 HB2 ASN 5 HB2 ASN 5 -1.755 4.325 -2.337
33 HB3 ASN 5 HB1 ASN 5 -3.405 4.861 -2.628
34 HD21 ASN 5 HD21 ASN 5 -0.526 5.341 -0.803
35 HD22 ASN 5 HD22 ASN 5 -1.046 6.757 0.040
36 H VAL 6 HN VAL 6 -2.012 1.153 -1.191
37 HA VAL 6 HA VAL 6 -0.758 1.537 1.421
38 HB VAL 6 HB VAL 6 -2.038 -0.422 1.538
39 HG11 VAL 6 HG11 VAL 6 -2.564 -0.729 -0.797
40 HG12 VAL 6 HG12 VAL 6 -1.958 -2.239 -0.117
41 HG13 VAL 6 HG13 VAL 6 -0.910 -1.245 -1.130
42 HG21 VAL 6 HG21 VAL 6 0.769 -1.292 0.871
43 HG22 VAL 6 HG22 VAL 6 -0.415 -2.238 1.773
44 HG23 VAL 6 HG23 VAL 6 0.197 -0.725 2.439
45 H CYS 7 HN CYS 7 1.149 2.363 1.250
46 HA CYS 7 HA CYS 7 3.020 1.333 -0.776
47 HB2 CYS 7 HB2 CYS 7 3.108 3.968 0.709
48 HB3 CYS 7 HB1 CYS 7 4.236 3.445 -0.533
49 H VAL 8 HN VAL 8 4.898 0.408 -0.084
50 HA VAL 8 HA VAL 8 5.556 0.651 2.771
51 HB VAL 8 HB VAL 8 6.170 -1.797 2.784
52 HG11 VAL 8 HG11 VAL 8 3.885 -2.550 3.226
53 HG12 VAL 8 HG12 VAL 8 3.257 -1.105 2.433
54 HG13 VAL 8 HG13 VAL 8 4.191 -0.959 3.921
55 HG21 VAL 8 HG21 VAL 8 6.188 -2.192 0.386
56 HG22 VAL 8 HG22 VAL 8 4.465 -1.829 0.296
57 HG23 VAL 8 HG23 VAL 8 5.022 -3.252 1.175
58 H TYR 9 HN TYR 9 7.726 0.360 3.289
59 HA TYR 9 HA TYR 9 9.531 0.929 1.092
60 HB2 TYR 9 HB2 TYR 9 9.957 0.854 4.086
61 HB3 TYR 9 HB1 TYR 9 11.197 1.273 2.917
62 HD1 TYR 9 HD1 TYR 9 10.974 3.354 1.576
63 HD2 TYR 9 HD2 TYR 9 8.305 2.432 4.752
64 HE1 TYR 9 HE1 TYR 9 10.245 5.700 1.632
65 HE2 TYR 9 HE2 TYR 9 7.566 4.776 4.819
66 HH TYR 9 HH TYR 9 8.363 7.021 2.350
67 H ARG 10 HN ARG 10 10.340 -0.705 0.011
68 HA ARG 10 HA ARG 10 11.049 -3.166 1.472
69 HB2 ARG 10 HB2 ARG 10 9.247 -3.529 -0.139
70 HB3 ARG 10 HB1 ARG 10 10.217 -2.808 -1.415
71 HG2 ARG 10 HG2 ARG 10 11.851 -4.631 -1.169
72 HG3 ARG 10 HG1 ARG 10 10.809 -5.369 0.048
73 HD2 ARG 10 HD2 ARG 10 9.016 -5.557 -1.597
74 HD3 ARG 10 HD1 ARG 10 10.048 -4.806 -2.810
75 HE ARG 10 HE ARG 10 11.182 -7.171 -1.632
76 HH11 ARG 10 HH11 ARG 10 9.105 -5.923 -4.158
77 HH12 ARG 10 HH12 ARG 10 9.277 -7.319 -5.169
78 HH21 ARG 10 HH21 ARG 10 11.412 -9.012 -2.962
79 HH22 ARG 10 HH22 ARG 10 10.591 -9.082 -4.488
80 H ASN 11 HN ASN 11 13.172 -3.063 1.846
81 HA ASN 11 HA ASN 11 15.415 -2.912 1.523
82 HB2 ASN 11 HB2 ASN 11 14.855 -4.511 -0.337
83 HB3 ASN 11 HB1 ASN 11 14.797 -3.137 -1.430
84 HD21 ASN 11 HD21 ASN 11 17.079 -3.592 1.214
85 HD22 ASN 11 HD22 ASN 11 18.480 -3.726 0.212
86 H GLY 12 HN GLY 12 13.735 -0.522 1.530
87 HA2 GLY 12 HA2 GLY 12 14.705 1.658 1.729
88 HA3 GLY 12 HA1 GLY 12 15.734 1.286 0.357
89 H VAL 13 HN VAL 13 13.325 0.149 -1.103
90 HA VAL 13 HA VAL 13 12.497 2.770 -2.092
91 HB VAL 13 HB VAL 13 13.504 1.295 -3.746
92 HG11 VAL 13 HG11 VAL 13 12.859 -0.869 -2.867
93 HG12 VAL 13 HG12 VAL 13 12.345 -0.707 -4.547
94 HG13 VAL 13 HG13 VAL 13 11.168 -0.534 -3.244
95 HG21 VAL 13 HG21 VAL 13 11.896 2.933 -4.510
96 HG22 VAL 13 HG22 VAL 13 10.575 1.796 -4.233
97 HG23 VAL 13 HG23 VAL 13 11.777 1.466 -5.482
98 H ARG 14 HN ARG 14 10.511 3.479 -2.077
99 HA ARG 14 HA ARG 14 8.540 2.049 -0.532
100 HB2 ARG 14 HB2 ARG 14 8.946 4.451 -0.205
101 HB3 ARG 14 HB1 ARG 14 8.450 4.757 -1.864
102 HG2 ARG 14 HG2 ARG 14 6.207 3.911 -1.326
103 HG3 ARG 14 HG1 ARG 14 6.720 3.679 0.349
104 HD2 ARG 14 HD2 ARG 14 5.588 5.772 0.232
105 HD3 ARG 14 HD1 ARG 14 7.313 6.092 0.417
106 HE ARG 14 HE ARG 14 6.843 6.119 -2.297
107 HH11 ARG 14 HH11 ARG 14 5.680 7.883 0.487
108 HH12 ARG 14 HH12 ARG 14 5.400 9.348 -0.394
109 HH21 ARG 14 HH21 ARG 14 6.500 8.049 -3.461
110 HH22 ARG 14 HH22 ARG 14 5.879 9.449 -2.642
111 H VAL 15 HN VAL 15 7.515 0.467 -1.611
112 HA VAL 15 HA VAL 15 6.671 0.939 -4.366
113 HB VAL 15 HB VAL 15 7.755 -1.198 -3.881
114 HG11 VAL 15 HG11 VAL 15 6.634 -2.917 -2.550
115 HG12 VAL 15 HG12 VAL 15 5.414 -1.734 -2.074
116 HG13 VAL 15 HG13 VAL 15 7.093 -1.516 -1.580
117 HG21 VAL 15 HG21 VAL 15 6.096 -2.670 -4.925
118 HG22 VAL 15 HG22 VAL 15 6.161 -1.091 -5.707
119 HG23 VAL 15 HG23 VAL 15 4.843 -1.474 -4.600
120 H CYS 16 HN CYS 16 4.636 1.390 -4.920
121 HA CYS 16 HA CYS 16 2.592 1.249 -2.810
122 HB2 CYS 16 HB2 CYS 16 2.751 3.073 -5.213
123 HB3 CYS 16 HB1 CYS 16 1.409 3.022 -4.076
124 H HIS 17 HN HIS 17 0.795 0.122 -3.149
125 HA HIS 17 HA HIS 17 0.131 -0.756 -5.844
126 HB2 HIS 17 HB2 HIS 17 -0.280 -3.095 -5.008
127 HB3 HIS 17 HB1 HIS 17 1.404 -2.635 -5.138
128 HD1 HIS 17 HD1 HIS 17 -1.003 -4.085 -2.849
129 HD2 HIS 17 HD2 HIS 17 2.581 -2.003 -2.502
130 HE1 HIS 17 HE1 HIS 17 -0.202 -4.500 -0.505
131 HE2 HIS 17 HE2 HIS 17 2.066 -3.414 -0.395
132 H ARG 18 HN ARG 18 -2.009 -1.710 -5.958
133 HA ARG 18 HA ARG 18 -3.811 -0.145 -4.296
134 HB2 ARG 18 HB2 ARG 18 -4.313 -1.830 -6.756
135 HB3 ARG 18 HB1 ARG 18 -5.534 -0.863 -5.935
136 HG2 ARG 18 HG2 ARG 18 -4.229 1.160 -6.399
137 HG3 ARG 18 HG1 ARG 18 -3.032 0.181 -7.246
138 HD2 ARG 18 HD2 ARG 18 -4.721 -0.494 -8.865
139 HD3 ARG 18 HD1 ARG 18 -5.935 0.446 -8.000
140 HE ARG 18 HE ARG 18 -3.886 2.197 -8.612
141 HH11 ARG 18 HH11 ARG 18 -6.166 0.204 -10.349
142 HH12 ARG 18 HH12 ARG 18 -6.206 1.234 -11.741
143 HH21 ARG 18 HH21 ARG 18 -3.934 3.564 -10.440
144 HH22 ARG 18 HH22 ARG 18 -4.936 3.151 -11.792
145 H ARG 19 HN ARG 19 -4.950 -0.932 -2.679
146 HA ARG 19 HA ARG 19 -4.513 -3.507 -1.668
147 HB2 ARG 19 HB2 ARG 19 -5.913 -2.923 0.108
148 HB3 ARG 19 HB1 ARG 19 -5.273 -1.385 -0.436
149 HG2 ARG 19 HG2 ARG 19 -7.949 -2.429 -1.306
150 HG3 ARG 19 HG1 ARG 19 -7.726 -1.455 0.147
151 HD2 ARG 19 HD2 ARG 19 -8.306 0.141 -1.414
152 HD3 ARG 19 HD1 ARG 19 -6.546 0.204 -1.475
153 HE ARG 19 HE ARG 19 -7.475 -1.643 -3.384
154 HH11 ARG 19 HH11 ARG 19 -7.278 1.790 -2.774
155 HH12 ARG 19 HH12 ARG 19 -7.450 2.235 -4.437
156 HH21 ARG 19 HH21 ARG 19 -7.691 -1.070 -5.597
157 HH22 ARG 19 HH22 ARG 19 -7.686 0.606 -6.053
158 H ALA 20 HN ALA 20 -6.003 -5.228 -1.308
159 HA ALA 20 HA ALA 20 -7.438 -6.841 -1.965
160 HB1 ALA 20 HB1 ALA 20 -9.141 -5.141 -1.460
161 HB2 ALA 20 HB2 ALA 20 -9.635 -6.223 -2.762
162 HB3 ALA 20 HB3 ALA 20 -9.070 -4.594 -3.137
163 H ASN 21 HN ASN 21 -5.783 -7.612 -3.360
164 HA ASN 21 HA ASN 21 -5.124 -8.607 -5.278
165 HB2 ASN 21 HB2 ASN 21 -7.837 -7.687 -6.199
166 HB3 ASN 21 HB1 ASN 21 -6.735 -8.556 -7.261
167 HD21 ASN 21 HD21 ASN 21 -6.317 -10.709 -6.889
168 HD22 ASN 21 HD22 ASN 21 -7.277 -11.672 -5.820
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -16.731 0.957 -1.119
2 H2 GLY 1 HT2 GLY 1 -17.095 0.233 -2.602
3 H3 GLY 1 HT3 GLY 1 -16.247 1.694 -2.560
4 HA2 GLY 1 HA1 GLY 1 -15.261 -0.906 -1.538
5 HA3 GLY 1 HA2 GLY 1 -14.762 -0.143 -3.040
6 H PHE 2 HN PHE 2 -13.067 -0.885 -0.829
7 HA PHE 2 HA PHE 2 -12.090 1.786 -0.102
8 HB2 PHE 2 HB2 PHE 2 -11.140 0.535 1.988
9 HB3 PHE 2 HB1 PHE 2 -12.807 1.089 1.972
10 HD1 PHE 2 HD1 PHE 2 -14.630 -0.473 2.004
11 HD2 PHE 2 HD2 PHE 2 -10.611 -1.843 1.748
12 HE1 PHE 2 HE1 PHE 2 -15.377 -2.762 2.497
13 HE2 PHE 2 HE2 PHE 2 -11.355 -4.131 2.246
14 HZ PHE 2 HZ PHE 2 -13.767 -4.569 2.691
15 H ALA 3 HN ALA 3 -10.820 1.583 -2.036
16 HA ALA 3 HA ALA 3 -8.629 -0.330 -1.968
17 HB1 ALA 3 HB1 ALA 3 -8.023 0.532 -4.134
18 HB2 ALA 3 HB2 ALA 3 -9.133 1.887 -3.950
19 HB3 ALA 3 HB3 ALA 3 -9.764 0.249 -4.107
20 H TRP 4 HN TRP 4 -7.370 0.273 -0.220
21 HA TRP 4 HA TRP 4 -6.672 3.007 0.274
22 HB2 TRP 4 HB2 TRP 4 -5.000 0.819 1.395
23 HB3 TRP 4 HB1 TRP 4 -5.581 2.281 2.160
24 HD1 TRP 4 HD1 TRP 4 -6.434 -1.361 1.648
25 HE1 TRP 4 HE1 TRP 4 -8.472 -1.950 3.087
26 HE3 TRP 4 HE3 TRP 4 -7.759 3.337 3.065
27 HZ2 TRP 4 HZ2 TRP 4 -10.422 -0.576 4.632
28 HZ3 TRP 4 HZ3 TRP 4 -9.728 3.636 4.522
29 HH2 TRP 4 HH2 TRP 4 -11.031 1.716 5.288
30 H ASN 5 HN ASN 5 -5.070 4.148 -0.661
31 HA ASN 5 HA ASN 5 -3.039 2.812 -2.205
32 HB2 ASN 5 HB2 ASN 5 -2.043 5.105 -2.442
33 HB3 ASN 5 HB1 ASN 5 -3.704 4.982 -3.003
34 HD21 ASN 5 HD21 ASN 5 -5.346 5.991 -1.826
35 HD22 ASN 5 HD22 ASN 5 -5.006 7.227 -0.662
36 H VAL 6 HN VAL 6 -1.753 1.567 -1.049
37 HA VAL 6 HA VAL 6 -0.631 2.651 1.431
38 HB VAL 6 HB VAL 6 -2.022 0.928 2.168
39 HG11 VAL 6 HG11 VAL 6 -1.027 -0.836 -0.053
40 HG12 VAL 6 HG12 VAL 6 -2.589 -0.016 -0.001
41 HG13 VAL 6 HG13 VAL 6 -2.214 -1.273 1.178
42 HG21 VAL 6 HG21 VAL 6 -0.553 -0.864 2.949
43 HG22 VAL 6 HG22 VAL 6 0.193 0.722 3.128
44 HG23 VAL 6 HG23 VAL 6 0.686 -0.338 1.808
45 H CYS 7 HN CYS 7 1.381 3.121 1.241
46 HA CYS 7 HA CYS 7 3.076 1.682 -0.670
47 HB2 CYS 7 HB2 CYS 7 3.694 4.247 0.810
48 HB3 CYS 7 HB1 CYS 7 4.555 3.582 -0.575
49 H VAL 8 HN VAL 8 4.923 0.618 -0.033
50 HA VAL 8 HA VAL 8 5.597 0.720 2.833
51 HB VAL 8 HB VAL 8 6.181 -1.726 2.718
52 HG11 VAL 8 HG11 VAL 8 3.285 -0.988 2.353
53 HG12 VAL 8 HG12 VAL 8 4.189 -0.976 3.865
54 HG13 VAL 8 HG13 VAL 8 3.874 -2.501 3.039
55 HG21 VAL 8 HG21 VAL 8 5.109 -3.094 1.006
56 HG22 VAL 8 HG22 VAL 8 6.250 -1.957 0.288
57 HG23 VAL 8 HG23 VAL 8 4.516 -1.640 0.205
58 H TYR 9 HN TYR 9 7.804 0.124 3.301
59 HA TYR 9 HA TYR 9 9.579 0.837 1.095
60 HB2 TYR 9 HB2 TYR 9 10.122 0.669 4.065
61 HB3 TYR 9 HB1 TYR 9 11.234 1.264 2.845
62 HD1 TYR 9 HD1 TYR 9 10.438 3.295 1.446
63 HD2 TYR 9 HD2 TYR 9 8.700 2.151 5.158
64 HE1 TYR 9 HE1 TYR 9 9.533 5.563 1.715
65 HE2 TYR 9 HE2 TYR 9 7.789 4.418 5.435
66 HH TYR 9 HH TYR 9 8.407 6.765 4.584
67 H ARG 10 HN ARG 10 10.008 -0.955 -0.029
68 HA ARG 10 HA ARG 10 10.669 -3.417 1.435
69 HB2 ARG 10 HB2 ARG 10 8.826 -3.583 -0.170
70 HB3 ARG 10 HB1 ARG 10 9.873 -2.992 -1.451
71 HG2 ARG 10 HG2 ARG 10 11.265 -4.983 -1.244
72 HG3 ARG 10 HG1 ARG 10 10.230 -5.576 0.055
73 HD2 ARG 10 HD2 ARG 10 8.352 -5.722 -1.444
74 HD3 ARG 10 HD1 ARG 10 9.281 -4.970 -2.738
75 HE ARG 10 HE ARG 10 10.777 -7.072 -2.338
76 HH11 ARG 10 HH11 ARG 10 7.283 -6.938 -2.270
77 HH12 ARG 10 HH12 ARG 10 7.085 -8.551 -2.871
78 HH21 ARG 10 HH21 ARG 10 10.522 -9.182 -3.150
79 HH22 ARG 10 HH22 ARG 10 8.928 -9.830 -3.370
80 H ASN 11 HN ASN 11 12.796 -3.283 1.877
81 HA ASN 11 HA ASN 11 15.044 -3.340 1.573
82 HB2 ASN 11 HB2 ASN 11 14.317 -3.845 -1.322
83 HB3 ASN 11 HB1 ASN 11 15.942 -3.981 -0.661
84 HD21 ASN 11 HD21 ASN 11 16.437 -5.690 0.707
85 HD22 ASN 11 HD22 ASN 11 15.432 -7.092 0.820
86 H GLY 12 HN GLY 12 13.572 -0.845 1.426
87 HA2 GLY 12 HA2 GLY 12 14.682 1.258 1.497
88 HA3 GLY 12 HA1 GLY 12 15.742 0.709 0.210
89 H VAL 13 HN VAL 13 13.081 -0.318 -1.119
90 HA VAL 13 HA VAL 13 12.654 2.256 -2.438
91 HB VAL 13 HB VAL 13 13.317 0.372 -3.874
92 HG11 VAL 13 HG11 VAL 13 10.635 -0.786 -3.149
93 HG12 VAL 13 HG12 VAL 13 12.214 -1.462 -2.742
94 HG13 VAL 13 HG13 VAL 13 11.696 -1.383 -4.426
95 HG21 VAL 13 HG21 VAL 13 11.639 0.735 -5.620
96 HG22 VAL 13 HG22 VAL 13 12.110 2.238 -4.829
97 HG23 VAL 13 HG23 VAL 13 10.574 1.472 -4.427
98 H ARG 14 HN ARG 14 10.789 3.267 -2.531
99 HA ARG 14 HA ARG 14 8.678 2.413 -0.732
100 HB2 ARG 14 HB2 ARG 14 9.409 4.724 -0.638
101 HB3 ARG 14 HB1 ARG 14 9.101 4.927 -2.354
102 HG2 ARG 14 HG2 ARG 14 6.677 4.483 -1.875
103 HG3 ARG 14 HG1 ARG 14 7.082 4.559 -0.158
104 HD2 ARG 14 HD2 ARG 14 7.656 6.755 -2.137
105 HD3 ARG 14 HD1 ARG 14 6.225 6.699 -1.109
106 HE ARG 14 HE ARG 14 7.669 6.940 0.804
107 HH11 ARG 14 HH11 ARG 14 9.170 7.536 -2.306
108 HH12 ARG 14 HH12 ARG 14 10.431 8.526 -1.650
109 HH21 ARG 14 HH21 ARG 14 9.349 8.227 1.674
110 HH22 ARG 14 HH22 ARG 14 10.538 8.916 0.617
111 H VAL 15 HN VAL 15 7.469 0.830 -1.650
112 HA VAL 15 HA VAL 15 6.550 1.235 -4.403
113 HB VAL 15 HB VAL 15 7.610 -0.912 -3.987
114 HG11 VAL 15 HG11 VAL 15 5.424 -1.414 -1.986
115 HG12 VAL 15 HG12 VAL 15 7.132 -1.164 -1.623
116 HG13 VAL 15 HG13 VAL 15 6.622 -2.590 -2.527
117 HG21 VAL 15 HG21 VAL 15 5.882 -0.838 -5.672
118 HG22 VAL 15 HG22 VAL 15 4.643 -1.137 -4.454
119 HG23 VAL 15 HG23 VAL 15 5.826 -2.387 -4.832
120 H CYS 16 HN CYS 16 4.550 1.843 -4.818
121 HA CYS 16 HA CYS 16 2.619 1.846 -2.601
122 HB2 CYS 16 HB2 CYS 16 2.796 3.625 -5.036
123 HB3 CYS 16 HB1 CYS 16 1.503 3.689 -3.844
124 H HIS 17 HN HIS 17 0.673 0.924 -2.821
125 HA HIS 17 HA HIS 17 -0.259 0.039 -5.422
126 HB2 HIS 17 HB2 HIS 17 -0.688 -2.285 -4.537
127 HB3 HIS 17 HB1 HIS 17 0.994 -1.902 -4.846
128 HD1 HIS 17 HD1 HIS 17 -1.367 -2.842 -2.151
129 HD2 HIS 17 HD2 HIS 17 2.602 -1.661 -2.503
130 HE1 HIS 17 HE1 HIS 17 -0.337 -3.253 0.102
131 HE2 HIS 17 HE2 HIS 17 2.112 -2.781 -0.224
132 H ARG 18 HN ARG 18 -2.446 -0.807 -5.325
133 HA ARG 18 HA ARG 18 -3.970 0.614 -3.256
134 HB2 ARG 18 HB2 ARG 18 -4.622 -0.229 -6.064
135 HB3 ARG 18 HB1 ARG 18 -5.911 0.107 -4.919
136 HG2 ARG 18 HG2 ARG 18 -5.518 2.062 -6.235
137 HG3 ARG 18 HG1 ARG 18 -4.971 2.375 -4.590
138 HD2 ARG 18 HD2 ARG 18 -3.381 3.262 -6.186
139 HD3 ARG 18 HD1 ARG 18 -2.661 1.930 -5.287
140 HE ARG 18 HE ARG 18 -3.793 0.962 -7.686
141 HH11 ARG 18 HH11 ARG 18 -1.097 2.859 -6.521
142 HH12 ARG 18 HH12 ARG 18 -0.060 2.447 -7.850
143 HH21 ARG 18 HH21 ARG 18 -2.432 0.407 -9.444
144 HH22 ARG 18 HH22 ARG 18 -0.828 1.063 -9.523
145 H ARG 19 HN ARG 19 -4.190 -0.737 -1.584
146 HA ARG 19 HA ARG 19 -4.603 -3.557 -1.901
147 HB2 ARG 19 HB2 ARG 19 -3.404 -2.698 0.037
148 HB3 ARG 19 HB1 ARG 19 -4.811 -1.769 0.527
149 HG2 ARG 19 HG2 ARG 19 -6.047 -3.874 0.871
150 HG3 ARG 19 HG1 ARG 19 -4.586 -4.770 0.451
151 HD2 ARG 19 HD2 ARG 19 -3.409 -3.756 2.322
152 HD3 ARG 19 HD1 ARG 19 -4.837 -2.808 2.725
153 HE ARG 19 HE ARG 19 -5.521 -5.535 2.716
154 HH11 ARG 19 HH11 ARG 19 -3.637 -3.234 4.553
155 HH12 ARG 19 HH12 ARG 19 -3.815 -4.088 6.052
156 HH21 ARG 19 HH21 ARG 19 -5.759 -6.670 4.696
157 HH22 ARG 19 HH22 ARG 19 -5.018 -6.042 6.132
158 H ALA 20 HN ALA 20 -6.450 -4.683 -1.864
159 HA ALA 20 HA ALA 20 -8.652 -5.177 -1.997
160 HB1 ALA 20 HB1 ALA 20 -9.006 -2.780 -0.201
161 HB2 ALA 20 HB2 ALA 20 -8.708 -4.435 0.328
162 HB3 ALA 20 HB3 ALA 20 -10.209 -4.034 -0.506
163 H ASN 21 HN ASN 21 -7.527 -3.671 -4.068
164 HA ASN 21 HA ASN 21 -9.233 -1.518 -4.823
165 HB2 ASN 21 HB2 ASN 21 -8.118 -1.633 -7.011
166 HB3 ASN 21 HB1 ASN 21 -6.951 -1.649 -5.697
167 HD21 ASN 21 HD21 ASN 21 -5.753 -3.498 -5.306
168 HD22 ASN 21 HD22 ASN 21 -5.671 -4.805 -6.440
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -15.040 -2.729 -1.566
2 H2 GLY 1 HT2 GLY 1 -16.123 -2.006 -0.490
3 H3 GLY 1 HT3 GLY 1 -15.789 -3.656 -0.369
4 HA2 GLY 1 HA1 GLY 1 -14.640 -2.436 1.353
5 HA3 GLY 1 HA2 GLY 1 -13.511 -3.191 0.236
6 H PHE 2 HN PHE 2 -12.144 -1.475 1.311
7 HA PHE 2 HA PHE 2 -12.448 1.085 -0.120
8 HB2 PHE 2 HB2 PHE 2 -10.985 0.484 2.461
9 HB3 PHE 2 HB1 PHE 2 -11.012 2.050 1.659
10 HD1 PHE 2 HD1 PHE 2 -13.300 3.152 1.313
11 HD2 PHE 2 HD2 PHE 2 -12.629 -0.076 4.004
12 HE1 PHE 2 HE1 PHE 2 -15.348 3.751 2.535
13 HE2 PHE 2 HE2 PHE 2 -14.681 0.517 5.227
14 HZ PHE 2 HZ PHE 2 -16.042 2.431 4.493
15 H ALA 3 HN ALA 3 -10.932 1.666 -1.529
16 HA ALA 3 HA ALA 3 -8.589 -0.078 -1.804
17 HB1 ALA 3 HB1 ALA 3 -8.408 0.815 -4.079
18 HB2 ALA 3 HB2 ALA 3 -9.825 1.826 -3.786
19 HB3 ALA 3 HB3 ALA 3 -9.981 0.068 -3.788
20 H TRP 4 HN TRP 4 -7.334 0.909 -0.196
21 HA TRP 4 HA TRP 4 -6.492 3.651 -0.747
22 HB2 TRP 4 HB2 TRP 4 -4.964 2.769 1.387
23 HB3 TRP 4 HB1 TRP 4 -6.414 3.757 1.487
24 HD1 TRP 4 HD1 TRP 4 -5.661 -0.063 1.342
25 HE1 TRP 4 HE1 TRP 4 -7.219 -1.221 3.026
26 HE3 TRP 4 HE3 TRP 4 -8.218 4.020 2.981
27 HZ2 TRP 4 HZ2 TRP 4 -9.273 -0.490 4.822
28 HZ3 TRP 4 HZ3 TRP 4 -9.967 3.717 4.689
29 HH2 TRP 4 HH2 TRP 4 -10.483 1.506 5.586
30 H ASN 5 HN ASN 5 -4.564 4.151 -1.585
31 HA ASN 5 HA ASN 5 -2.888 2.072 -2.634
32 HB2 ASN 5 HB2 ASN 5 -3.208 4.229 -3.809
33 HB3 ASN 5 HB1 ASN 5 -2.367 5.044 -2.497
34 HD21 ASN 5 HD21 ASN 5 -0.759 5.805 -3.846
35 HD22 ASN 5 HD22 ASN 5 0.457 4.774 -4.515
36 H VAL 6 HN VAL 6 -1.710 0.953 -1.328
37 HA VAL 6 HA VAL 6 -0.726 2.084 1.167
38 HB VAL 6 HB VAL 6 -0.639 -0.788 0.226
39 HG11 VAL 6 HG11 VAL 6 -0.298 -1.311 2.591
40 HG12 VAL 6 HG12 VAL 6 -0.285 0.412 2.969
41 HG13 VAL 6 HG13 VAL 6 0.986 -0.279 1.962
42 HG21 VAL 6 HG21 VAL 6 -2.577 -1.147 1.705
43 HG22 VAL 6 HG22 VAL 6 -2.944 -0.064 0.361
44 HG23 VAL 6 HG23 VAL 6 -2.669 0.594 1.975
45 H CYS 7 HN CYS 7 1.115 3.148 0.840
46 HA CYS 7 HA CYS 7 3.225 1.937 -0.767
47 HB2 CYS 7 HB2 CYS 7 3.216 4.585 0.684
48 HB3 CYS 7 HB1 CYS 7 4.400 4.043 -0.496
49 H VAL 8 HN VAL 8 4.920 0.910 0.077
50 HA VAL 8 HA VAL 8 5.459 1.165 2.954
51 HB VAL 8 HB VAL 8 5.811 -1.309 3.097
52 HG11 VAL 8 HG11 VAL 8 3.434 -1.872 3.322
53 HG12 VAL 8 HG12 VAL 8 3.012 -0.398 2.453
54 HG13 VAL 8 HG13 VAL 8 3.813 -0.298 4.019
55 HG21 VAL 8 HG21 VAL 8 4.730 -2.747 1.434
56 HG22 VAL 8 HG22 VAL 8 6.031 -1.791 0.721
57 HG23 VAL 8 HG23 VAL 8 4.348 -1.328 0.458
58 H TYR 9 HN TYR 9 7.578 0.272 3.542
59 HA TYR 9 HA TYR 9 9.461 0.855 1.395
60 HB2 TYR 9 HB2 TYR 9 9.760 0.765 4.395
61 HB3 TYR 9 HB1 TYR 9 11.118 0.977 3.297
62 HD1 TYR 9 HD1 TYR 9 11.632 3.104 2.420
63 HD2 TYR 9 HD2 TYR 9 7.880 2.473 4.318
64 HE1 TYR 9 HE1 TYR 9 11.176 5.517 2.310
65 HE2 TYR 9 HE2 TYR 9 7.416 4.881 4.220
66 HH TYR 9 HH TYR 9 9.423 7.060 2.399
67 H ARG 10 HN ARG 10 10.017 -0.817 0.256
68 HA ARG 10 HA ARG 10 10.944 -3.238 1.630
69 HB2 ARG 10 HB2 ARG 10 8.671 -3.693 0.823
70 HB3 ARG 10 HB1 ARG 10 9.147 -3.204 -0.800
71 HG2 ARG 10 HG2 ARG 10 10.558 -5.070 -1.058
72 HG3 ARG 10 HG1 ARG 10 10.490 -5.454 0.663
73 HD2 ARG 10 HD2 ARG 10 8.128 -5.534 -1.195
74 HD3 ARG 10 HD1 ARG 10 9.101 -6.937 -0.765
75 HE ARG 10 HE ARG 10 8.051 -5.516 1.504
76 HH11 ARG 10 HH11 ARG 10 7.366 -7.965 -0.900
77 HH12 ARG 10 HH12 ARG 10 6.231 -8.813 0.102
78 HH21 ARG 10 HH21 ARG 10 6.532 -6.617 2.816
79 HH22 ARG 10 HH22 ARG 10 5.749 -8.039 2.205
80 H ASN 11 HN ASN 11 12.925 -3.732 1.006
81 HA ASN 11 HA ASN 11 14.871 -3.813 -0.138
82 HB2 ASN 11 HB2 ASN 11 13.040 -3.353 -2.492
83 HB3 ASN 11 HB1 ASN 11 14.779 -3.549 -2.671
84 HD21 ASN 11 HD21 ASN 11 15.068 -5.487 -0.578
85 HD22 ASN 11 HD22 ASN 11 14.377 -6.959 -1.157
86 H GLY 12 HN GLY 12 13.837 -1.354 1.039
87 HA2 GLY 12 HA2 GLY 12 14.904 0.658 1.423
88 HA3 GLY 12 HA1 GLY 12 15.964 0.318 0.067
89 H VAL 13 HN VAL 13 12.591 0.123 -0.585
90 HA VAL 13 HA VAL 13 12.568 2.884 -1.573
91 HB VAL 13 HB VAL 13 13.211 1.315 -3.421
92 HG11 VAL 13 HG11 VAL 13 11.448 -0.058 -4.437
93 HG12 VAL 13 HG12 VAL 13 10.403 0.304 -3.065
94 HG13 VAL 13 HG13 VAL 13 11.893 -0.608 -2.824
95 HG21 VAL 13 HG21 VAL 13 11.698 2.288 -5.073
96 HG22 VAL 13 HG22 VAL 13 12.227 3.488 -3.894
97 HG23 VAL 13 HG23 VAL 13 10.613 2.792 -3.778
98 H ARG 14 HN ARG 14 10.535 3.807 -1.791
99 HA ARG 14 HA ARG 14 8.474 2.620 -0.124
100 HB2 ARG 14 HB2 ARG 14 9.096 5.004 0.126
101 HB3 ARG 14 HB1 ARG 14 8.588 5.301 -1.526
102 HG2 ARG 14 HG2 ARG 14 6.296 4.777 -0.954
103 HG3 ARG 14 HG1 ARG 14 6.782 4.375 0.696
104 HD2 ARG 14 HD2 ARG 14 7.532 6.667 1.046
105 HD3 ARG 14 HD1 ARG 14 7.106 7.074 -0.612
106 HE ARG 14 HE ARG 14 4.797 6.832 -0.037
107 HH11 ARG 14 HH11 ARG 14 7.003 6.776 2.691
108 HH12 ARG 14 HH12 ARG 14 5.777 7.180 3.849
109 HH21 ARG 14 HH21 ARG 14 3.192 7.389 1.486
110 HH22 ARG 14 HH22 ARG 14 3.613 7.539 3.165
111 H VAL 15 HN VAL 15 7.697 0.934 -1.361
112 HA VAL 15 HA VAL 15 6.812 1.421 -4.091
113 HB VAL 15 HB VAL 15 7.996 -0.667 -3.557
114 HG11 VAL 15 HG11 VAL 15 5.603 -1.320 -1.858
115 HG12 VAL 15 HG12 VAL 15 7.247 -1.025 -1.289
116 HG13 VAL 15 HG13 VAL 15 6.896 -2.442 -2.280
117 HG21 VAL 15 HG21 VAL 15 5.135 -1.104 -4.392
118 HG22 VAL 15 HG22 VAL 15 6.477 -2.212 -4.685
119 HG23 VAL 15 HG23 VAL 15 6.462 -0.623 -5.447
120 H CYS 16 HN CYS 16 4.701 1.519 -4.750
121 HA CYS 16 HA CYS 16 2.713 1.591 -2.581
122 HB2 CYS 16 HB2 CYS 16 2.762 3.189 -5.145
123 HB3 CYS 16 HB1 CYS 16 1.501 3.260 -3.921
124 H HIS 17 HN HIS 17 0.878 0.480 -2.772
125 HA HIS 17 HA HIS 17 0.004 -0.543 -5.333
126 HB2 HIS 17 HB2 HIS 17 -0.284 -2.879 -4.222
127 HB3 HIS 17 HB1 HIS 17 1.262 -2.435 -4.917
128 HD1 HIS 17 HD1 HIS 17 -0.449 -2.813 -1.574
129 HD2 HIS 17 HD2 HIS 17 3.380 -2.476 -3.152
130 HE1 HIS 17 HE1 HIS 17 1.113 -3.266 0.342
131 HE2 HIS 17 HE2 HIS 17 3.402 -3.298 -0.699
132 H ARG 18 HN ARG 18 -2.141 -1.095 -5.373
133 HA ARG 18 HA ARG 18 -3.648 0.295 -3.317
134 HB2 ARG 18 HB2 ARG 18 -4.381 -0.795 -6.023
135 HB3 ARG 18 HB1 ARG 18 -5.607 -0.233 -4.898
136 HG2 ARG 18 HG2 ARG 18 -5.145 1.540 -6.403
137 HG3 ARG 18 HG1 ARG 18 -4.439 1.974 -4.849
138 HD2 ARG 18 HD2 ARG 18 -2.241 1.214 -5.669
139 HD3 ARG 18 HD1 ARG 18 -2.969 0.855 -7.233
140 HE ARG 18 HE ARG 18 -3.566 3.495 -6.700
141 HH11 ARG 18 HH11 ARG 18 -0.689 1.559 -7.146
142 HH12 ARG 18 HH12 ARG 18 0.262 2.873 -7.753
143 HH21 ARG 18 HH21 ARG 18 -2.315 5.235 -7.507
144 HH22 ARG 18 HH22 ARG 18 -0.661 4.968 -7.955
145 H ARG 19 HN ARG 19 -4.445 -0.696 -1.632
146 HA ARG 19 HA ARG 19 -4.858 -3.581 -1.709
147 HB2 ARG 19 HB2 ARG 19 -3.597 -2.630 0.160
148 HB3 ARG 19 HB1 ARG 19 -4.974 -1.634 0.592
149 HG2 ARG 19 HG2 ARG 19 -6.280 -3.659 1.043
150 HG3 ARG 19 HG1 ARG 19 -4.862 -4.636 0.659
151 HD2 ARG 19 HD2 ARG 19 -3.634 -3.497 2.477
152 HD3 ARG 19 HD1 ARG 19 -5.108 -2.622 2.886
153 HE ARG 19 HE ARG 19 -5.456 -5.470 2.857
154 HH11 ARG 19 HH11 ARG 19 -4.427 -2.746 4.803
155 HH12 ARG 19 HH12 ARG 19 -4.726 -3.552 6.310
156 HH21 ARG 19 HH21 ARG 19 -5.871 -6.517 4.829
157 HH22 ARG 19 HH22 ARG 19 -5.550 -5.700 6.325
158 H ALA 20 HN ALA 20 -6.807 -4.448 -1.907
159 HA ALA 20 HA ALA 20 -9.143 -2.691 -1.854
160 HB1 ALA 20 HB1 ALA 20 -8.900 -5.532 -2.847
161 HB2 ALA 20 HB2 ALA 20 -8.791 -4.086 -3.849
162 HB3 ALA 20 HB3 ALA 20 -10.302 -4.477 -3.031
163 H ASN 21 HN ASN 21 -9.035 -2.570 0.481
164 HA ASN 21 HA ASN 21 -9.495 -4.989 2.004
165 HB2 ASN 21 HB2 ASN 21 -8.064 -3.191 2.905
166 HB3 ASN 21 HB1 ASN 21 -9.440 -2.096 2.894
167 HD21 ASN 21 HD21 ASN 21 -11.073 -2.362 4.402
168 HD22 ASN 21 HD22 ASN 21 -10.862 -3.322 5.825
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -15.038 2.825 -3.847
2 H2 GLY 1 HT2 GLY 1 -13.613 1.921 -3.906
3 H3 GLY 1 HT3 GLY 1 -13.723 3.256 -2.875
4 HA2 GLY 1 HA1 GLY 1 -15.421 2.148 -1.569
5 HA3 GLY 1 HA2 GLY 1 -15.316 0.766 -2.648
6 H PHE 2 HN PHE 2 -13.456 2.737 -0.389
7 HA PHE 2 HA PHE 2 -11.825 2.258 1.098
8 HB2 PHE 2 HB2 PHE 2 -12.900 -0.554 0.841
9 HB3 PHE 2 HB1 PHE 2 -11.777 -0.014 2.087
10 HD1 PHE 2 HD1 PHE 2 -12.559 1.920 3.590
11 HD2 PHE 2 HD2 PHE 2 -15.178 -0.416 1.189
12 HE1 PHE 2 HE1 PHE 2 -14.453 2.597 5.006
13 HE2 PHE 2 HE2 PHE 2 -17.078 0.258 2.596
14 HZ PHE 2 HZ PHE 2 -16.717 1.768 4.508
15 H ALA 3 HN ALA 3 -11.067 2.341 -1.610
16 HA ALA 3 HA ALA 3 -9.016 0.282 -1.874
17 HB1 ALA 3 HB1 ALA 3 -8.592 1.241 -4.072
18 HB2 ALA 3 HB2 ALA 3 -9.725 2.550 -3.734
19 HB3 ALA 3 HB3 ALA 3 -10.310 0.892 -3.870
20 H TRP 4 HN TRP 4 -7.430 0.724 -0.420
21 HA TRP 4 HA TRP 4 -6.592 3.469 0.003
22 HB2 TRP 4 HB2 TRP 4 -5.196 1.147 1.249
23 HB3 TRP 4 HB1 TRP 4 -5.476 2.747 1.898
24 HD1 TRP 4 HD1 TRP 4 -6.787 -0.718 2.013
25 HE1 TRP 4 HE1 TRP 4 -8.941 -0.793 3.401
26 HE3 TRP 4 HE3 TRP 4 -7.657 4.268 2.332
27 HZ2 TRP 4 HZ2 TRP 4 -10.797 1.061 4.496
28 HZ3 TRP 4 HZ3 TRP 4 -9.642 5.062 3.566
29 HH2 TRP 4 HH2 TRP 4 -11.177 3.486 4.625
30 H ASN 5 HN ASN 5 -4.933 4.384 -0.991
31 HA ASN 5 HA ASN 5 -2.941 2.791 -2.360
32 HB2 ASN 5 HB2 ASN 5 -3.141 5.773 -1.841
33 HB3 ASN 5 HB1 ASN 5 -1.814 5.024 -2.722
34 HD21 ASN 5 HD21 ASN 5 -2.256 6.149 -4.593
35 HD22 ASN 5 HD22 ASN 5 -3.632 5.807 -5.578
36 H VAL 6 HN VAL 6 -1.774 1.630 -0.948
37 HA VAL 6 HA VAL 6 -0.629 3.030 1.352
38 HB VAL 6 HB VAL 6 -2.202 1.627 2.361
39 HG11 VAL 6 HG11 VAL 6 -2.591 -0.713 1.788
40 HG12 VAL 6 HG12 VAL 6 -1.385 -0.598 0.503
41 HG13 VAL 6 HG13 VAL 6 -2.869 0.351 0.408
42 HG21 VAL 6 HG21 VAL 6 -0.029 1.378 3.403
43 HG22 VAL 6 HG22 VAL 6 0.368 0.053 2.309
44 HG23 VAL 6 HG23 VAL 6 -0.926 -0.138 3.491
45 H CYS 7 HN CYS 7 1.456 3.068 1.381
46 HA CYS 7 HA CYS 7 2.908 1.433 -0.569
47 HB2 CYS 7 HB2 CYS 7 3.835 3.972 0.776
48 HB3 CYS 7 HB1 CYS 7 4.564 3.177 -0.615
49 H VAL 8 HN VAL 8 4.609 0.200 -0.027
50 HA VAL 8 HA VAL 8 5.388 0.114 2.814
51 HB VAL 8 HB VAL 8 6.011 -2.279 2.415
52 HG11 VAL 8 HG11 VAL 8 3.960 -1.698 3.567
53 HG12 VAL 8 HG12 VAL 8 3.720 -3.132 2.567
54 HG13 VAL 8 HG13 VAL 8 3.111 -1.567 2.028
55 HG21 VAL 8 HG21 VAL 8 4.992 -3.441 0.499
56 HG22 VAL 8 HG22 VAL 8 6.187 -2.245 -0.009
57 HG23 VAL 8 HG23 VAL 8 4.465 -1.887 -0.148
58 H TYR 9 HN TYR 9 7.611 -0.485 3.211
59 HA TYR 9 HA TYR 9 9.355 0.552 1.113
60 HB2 TYR 9 HB2 TYR 9 9.736 0.236 4.090
61 HB3 TYR 9 HB1 TYR 9 11.024 0.722 2.996
62 HD1 TYR 9 HD1 TYR 9 10.553 2.815 1.517
63 HD2 TYR 9 HD2 TYR 9 8.353 1.840 5.023
64 HE1 TYR 9 HE1 TYR 9 9.820 5.156 1.702
65 HE2 TYR 9 HE2 TYR 9 7.614 4.174 5.219
66 HH TYR 9 HH TYR 9 7.953 6.427 2.719
67 H ARG 10 HN ARG 10 10.142 -0.941 -0.158
68 HA ARG 10 HA ARG 10 11.118 -3.447 1.044
69 HB2 ARG 10 HB2 ARG 10 9.269 -3.842 -0.507
70 HB3 ARG 10 HB1 ARG 10 10.101 -2.935 -1.761
71 HG2 ARG 10 HG2 ARG 10 10.339 -5.273 -2.203
72 HG3 ARG 10 HG1 ARG 10 11.906 -4.623 -1.725
73 HD2 ARG 10 HD2 ARG 10 11.429 -5.440 0.599
74 HD3 ARG 10 HD1 ARG 10 10.010 -6.258 -0.052
75 HE ARG 10 HE ARG 10 12.664 -6.825 -1.172
76 HH11 ARG 10 HH11 ARG 10 9.825 -7.914 0.581
77 HH12 ARG 10 HH12 ARG 10 10.251 -9.591 0.471
78 HH21 ARG 10 HH21 ARG 10 13.210 -9.025 -1.321
79 HH22 ARG 10 HH22 ARG 10 12.176 -10.222 -0.613
80 H ASN 11 HN ASN 11 13.238 -3.328 1.275
81 HA ASN 11 HA ASN 11 15.446 -3.009 0.881
82 HB2 ASN 11 HB2 ASN 11 14.579 -2.834 -2.012
83 HB3 ASN 11 HB1 ASN 11 16.248 -2.952 -1.470
84 HD21 ASN 11 HD21 ASN 11 16.983 -4.888 -0.586
85 HD22 ASN 11 HD22 ASN 11 16.133 -6.378 -0.822
86 H GLY 12 HN GLY 12 13.719 -0.779 1.483
87 HA2 GLY 12 HA2 GLY 12 14.220 1.458 1.901
88 HA3 GLY 12 HA1 GLY 12 15.552 1.345 0.760
89 H VAL 13 HN VAL 13 13.070 0.041 -0.857
90 HA VAL 13 HA VAL 13 12.563 2.565 -2.251
91 HB VAL 13 HB VAL 13 11.877 -0.229 -3.174
92 HG11 VAL 13 HG11 VAL 13 12.108 2.379 -4.667
93 HG12 VAL 13 HG12 VAL 13 10.614 1.520 -4.287
94 HG13 VAL 13 HG13 VAL 13 11.784 0.807 -5.398
95 HG21 VAL 13 HG21 VAL 13 14.284 -0.063 -2.832
96 HG22 VAL 13 HG22 VAL 13 14.331 1.410 -3.802
97 HG23 VAL 13 HG23 VAL 13 13.902 -0.125 -4.553
98 H ARG 14 HN ARG 14 10.623 3.480 -2.329
99 HA ARG 14 HA ARG 14 8.532 2.514 -0.620
100 HB2 ARG 14 HB2 ARG 14 9.130 4.892 -0.763
101 HB3 ARG 14 HB1 ARG 14 8.684 4.906 -2.461
102 HG2 ARG 14 HG2 ARG 14 6.380 4.535 -1.917
103 HG3 ARG 14 HG1 ARG 14 6.779 4.317 -0.209
104 HD2 ARG 14 HD2 ARG 14 5.936 6.544 -0.524
105 HD3 ARG 14 HD1 ARG 14 7.661 6.618 -0.170
106 HE ARG 14 HE ARG 14 7.300 6.583 -2.955
107 HH11 ARG 14 HH11 ARG 14 6.872 8.688 -0.192
108 HH12 ARG 14 HH12 ARG 14 6.994 10.147 -1.124
109 HH21 ARG 14 HH21 ARG 14 7.478 8.511 -4.185
110 HH22 ARG 14 HH22 ARG 14 7.332 10.047 -3.389
111 H VAL 15 HN VAL 15 7.549 0.732 -1.450
112 HA VAL 15 HA VAL 15 6.655 0.726 -4.238
113 HB VAL 15 HB VAL 15 6.127 -1.448 -2.231
114 HG11 VAL 15 HG11 VAL 15 6.479 -1.466 -5.227
115 HG12 VAL 15 HG12 VAL 15 4.948 -1.585 -4.359
116 HG13 VAL 15 HG13 VAL 15 6.143 -2.875 -4.223
117 HG21 VAL 15 HG21 VAL 15 8.469 -0.976 -2.098
118 HG22 VAL 15 HG22 VAL 15 8.612 -1.034 -3.852
119 HG23 VAL 15 HG23 VAL 15 8.217 -2.497 -2.951
120 H CYS 16 HN CYS 16 4.721 1.563 -4.669
121 HA CYS 16 HA CYS 16 2.803 1.553 -2.491
122 HB2 CYS 16 HB2 CYS 16 2.876 3.239 -4.997
123 HB3 CYS 16 HB1 CYS 16 1.592 3.308 -3.796
124 H HIS 17 HN HIS 17 0.846 0.600 -2.656
125 HA HIS 17 HA HIS 17 0.128 -0.688 -5.178
126 HB2 HIS 17 HB2 HIS 17 -0.387 -2.814 -3.950
127 HB3 HIS 17 HB1 HIS 17 1.322 -2.446 -4.080
128 HD1 HIS 17 HD1 HIS 17 -1.466 -2.710 -1.610
129 HD2 HIS 17 HD2 HIS 17 2.624 -1.982 -1.634
130 HE1 HIS 17 HE1 HIS 17 -0.756 -2.788 0.794
131 HE2 HIS 17 HE2 HIS 17 1.745 -2.563 0.731
132 H ARG 18 HN ARG 18 -2.062 -1.550 -5.150
133 HA ARG 18 HA ARG 18 -3.774 0.224 -3.553
134 HB2 ARG 18 HB2 ARG 18 -5.529 -0.312 -5.270
135 HB3 ARG 18 HB1 ARG 18 -4.139 0.570 -5.879
136 HG2 ARG 18 HG2 ARG 18 -3.220 -1.558 -6.741
137 HG3 ARG 18 HG1 ARG 18 -4.699 -2.367 -6.218
138 HD2 ARG 18 HD2 ARG 18 -6.016 -0.937 -7.682
139 HD3 ARG 18 HD1 ARG 18 -4.559 -0.077 -8.174
140 HE ARG 18 HE ARG 18 -4.566 -2.941 -8.644
141 HH11 ARG 18 HH11 ARG 18 -5.130 0.255 -9.958
142 HH12 ARG 18 HH12 ARG 18 -4.985 -0.259 -11.607
143 HH21 ARG 18 HH21 ARG 18 -4.377 -3.620 -10.818
144 HH22 ARG 18 HH22 ARG 18 -4.554 -2.462 -12.098
145 H ARG 19 HN ARG 19 -4.675 -0.626 -1.843
146 HA ARG 19 HA ARG 19 -4.655 -3.448 -1.369
147 HB2 ARG 19 HB2 ARG 19 -4.332 -1.727 0.407
148 HB3 ARG 19 HB1 ARG 19 -6.016 -1.265 0.218
149 HG2 ARG 19 HG2 ARG 19 -6.267 -2.677 1.960
150 HG3 ARG 19 HG1 ARG 19 -6.353 -3.872 0.670
151 HD2 ARG 19 HD2 ARG 19 -3.856 -3.129 2.193
152 HD3 ARG 19 HD1 ARG 19 -4.855 -4.545 2.515
153 HE ARG 19 HE ARG 19 -4.226 -4.870 -0.077
154 HH11 ARG 19 HH11 ARG 19 -2.275 -4.165 2.740
155 HH12 ARG 19 HH12 ARG 19 -0.864 -4.960 2.122
156 HH21 ARG 19 HH21 ARG 19 -2.366 -5.922 -0.897
157 HH22 ARG 19 HH22 ARG 19 -0.917 -5.969 0.058
158 H ALA 20 HN ALA 20 -6.180 -4.890 -1.814
159 HA ALA 20 HA ALA 20 -8.942 -3.954 -2.212
160 HB1 ALA 20 HB1 ALA 20 -7.941 -4.476 -4.386
161 HB2 ALA 20 HB2 ALA 20 -9.225 -5.617 -3.984
162 HB3 ALA 20 HB3 ALA 20 -7.536 -6.094 -3.814
163 H ASN 21 HN ASN 21 -8.903 -4.534 0.136
164 HA ASN 21 HA ASN 21 -8.993 -7.429 0.608
165 HB2 ASN 21 HB2 ASN 21 -7.434 -6.148 2.024
166 HB3 ASN 21 HB1 ASN 21 -8.769 -5.151 2.587
167 HD21 ASN 21 HD21 ASN 21 -8.958 -8.619 2.055
168 HD22 ASN 21 HD22 ASN 21 -9.152 -9.043 3.719
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -16.366 1.287 -1.059
2 H2 GLY 1 HT2 GLY 1 -16.417 -0.402 -1.071
3 H3 GLY 1 HT3 GLY 1 -17.159 0.476 -2.312
4 HA2 GLY 1 HA1 GLY 1 -15.070 -0.460 -3.071
5 HA3 GLY 1 HA2 GLY 1 -15.037 1.294 -3.077
6 H PHE 2 HN PHE 2 -13.032 -1.054 -2.641
7 HA PHE 2 HA PHE 2 -11.862 -0.140 -0.112
8 HB2 PHE 2 HB2 PHE 2 -10.942 -2.424 -1.870
9 HB3 PHE 2 HB1 PHE 2 -10.451 -2.096 -0.212
10 HD1 PHE 2 HD1 PHE 2 -12.645 -3.917 -2.293
11 HD2 PHE 2 HD2 PHE 2 -12.342 -2.160 1.570
12 HE1 PHE 2 HE1 PHE 2 -14.440 -5.391 -1.486
13 HE2 PHE 2 HE2 PHE 2 -14.136 -3.631 2.384
14 HZ PHE 2 HZ PHE 2 -15.189 -5.250 0.856
15 H ALA 3 HN ALA 3 -11.357 1.944 -1.230
16 HA ALA 3 HA ALA 3 -9.028 1.678 -3.010
17 HB1 ALA 3 HB1 ALA 3 -10.902 4.016 -2.720
18 HB2 ALA 3 HB2 ALA 3 -10.923 2.830 -4.025
19 HB3 ALA 3 HB3 ALA 3 -9.536 3.905 -3.831
20 H TRP 4 HN TRP 4 -7.564 1.443 -1.253
21 HA TRP 4 HA TRP 4 -6.703 4.070 -0.379
22 HB2 TRP 4 HB2 TRP 4 -5.971 2.710 1.794
23 HB3 TRP 4 HB1 TRP 4 -7.493 3.571 1.693
24 HD1 TRP 4 HD1 TRP 4 -6.062 0.006 1.547
25 HE1 TRP 4 HE1 TRP 4 -7.955 -1.649 2.104
26 HE3 TRP 4 HE3 TRP 4 -9.931 3.287 1.729
27 HZ2 TRP 4 HZ2 TRP 4 -10.740 -1.555 2.574
28 HZ3 TRP 4 HZ3 TRP 4 -12.193 2.446 2.239
29 HH2 TRP 4 HH2 TRP 4 -12.587 0.071 2.653
30 H ASN 5 HN ASN 5 -4.758 4.373 -1.086
31 HA ASN 5 HA ASN 5 -3.074 2.195 -1.915
32 HB2 ASN 5 HB2 ASN 5 -2.595 5.180 -1.790
33 HB3 ASN 5 HB1 ASN 5 -1.407 4.029 -2.389
34 HD21 ASN 5 HD21 ASN 5 -4.338 5.711 -3.037
35 HD22 ASN 5 HD22 ASN 5 -4.499 5.226 -4.690
36 H VAL 6 HN VAL 6 -1.269 1.433 -0.940
37 HA VAL 6 HA VAL 6 -0.519 2.602 1.642
38 HB VAL 6 HB VAL 6 -1.851 0.770 2.330
39 HG11 VAL 6 HG11 VAL 6 -0.394 -0.941 0.335
40 HG12 VAL 6 HG12 VAL 6 -2.068 -0.396 0.227
41 HG13 VAL 6 HG13 VAL 6 -1.585 -1.516 1.503
42 HG21 VAL 6 HG21 VAL 6 -0.258 -0.750 3.405
43 HG22 VAL 6 HG22 VAL 6 0.256 0.934 3.527
44 HG23 VAL 6 HG23 VAL 6 1.021 -0.140 2.356
45 H CYS 7 HN CYS 7 1.500 3.216 1.480
46 HA CYS 7 HA CYS 7 3.269 1.855 -0.417
47 HB2 CYS 7 HB2 CYS 7 3.862 4.438 1.010
48 HB3 CYS 7 HB1 CYS 7 4.569 3.833 -0.478
49 H VAL 8 HN VAL 8 5.023 0.715 0.260
50 HA VAL 8 HA VAL 8 5.844 1.027 3.072
51 HB VAL 8 HB VAL 8 6.301 -1.458 3.126
52 HG11 VAL 8 HG11 VAL 8 3.985 -2.048 3.681
53 HG12 VAL 8 HG12 VAL 8 3.431 -0.565 2.901
54 HG13 VAL 8 HG13 VAL 8 4.445 -0.478 4.341
55 HG21 VAL 8 HG21 VAL 8 4.470 -1.454 0.728
56 HG22 VAL 8 HG22 VAL 8 5.011 -2.882 1.611
57 HG23 VAL 8 HG23 VAL 8 6.177 -1.895 0.731
58 H TYR 9 HN TYR 9 8.030 0.503 3.499
59 HA TYR 9 HA TYR 9 9.725 0.953 1.172
60 HB2 TYR 9 HB2 TYR 9 10.304 1.092 4.138
61 HB3 TYR 9 HB1 TYR 9 11.485 1.409 2.876
62 HD1 TYR 9 HD1 TYR 9 11.379 3.447 1.553
63 HD2 TYR 9 HD2 TYR 9 8.514 2.664 4.597
64 HE1 TYR 9 HE1 TYR 9 10.675 5.800 1.486
65 HE2 TYR 9 HE2 TYR 9 7.799 5.017 4.534
66 HH TYR 9 HH TYR 9 8.738 7.157 2.049
67 H ARG 10 HN ARG 10 10.281 -0.846 0.167
68 HA ARG 10 HA ARG 10 11.274 -3.089 1.797
69 HB2 ARG 10 HB2 ARG 10 9.518 -3.200 -0.656
70 HB3 ARG 10 HB1 ARG 10 10.405 -4.592 -0.051
71 HG2 ARG 10 HG2 ARG 10 9.192 -4.475 2.050
72 HG3 ARG 10 HG1 ARG 10 8.326 -3.046 1.483
73 HD2 ARG 10 HD2 ARG 10 7.246 -4.302 -0.239
74 HD3 ARG 10 HD1 ARG 10 8.248 -5.714 0.087
75 HE ARG 10 HE ARG 10 6.906 -5.110 2.441
76 HH11 ARG 10 HH11 ARG 10 6.078 -6.070 -0.821
77 HH12 ARG 10 HH12 ARG 10 4.680 -6.973 -0.334
78 HH21 ARG 10 HH21 ARG 10 5.060 -6.293 3.087
79 HH22 ARG 10 HH22 ARG 10 4.098 -7.099 1.888
80 H ASN 11 HN ASN 11 13.319 -3.484 1.410
81 HA ASN 11 HA ASN 11 15.366 -3.593 0.438
82 HB2 ASN 11 HB2 ASN 11 14.084 -5.037 -1.184
83 HB3 ASN 11 HB1 ASN 11 13.889 -3.619 -2.203
84 HD21 ASN 11 HD21 ASN 11 16.796 -4.339 -0.365
85 HD22 ASN 11 HD22 ASN 11 17.798 -4.651 -1.736
86 H GLY 12 HN GLY 12 14.028 -1.021 0.924
87 HA2 GLY 12 HA2 GLY 12 15.184 1.039 0.933
88 HA3 GLY 12 HA1 GLY 12 15.984 0.571 -0.557
89 H VAL 13 HN VAL 13 13.064 -0.247 -1.428
90 HA VAL 13 HA VAL 13 12.560 2.434 -2.508
91 HB VAL 13 HB VAL 13 12.987 0.619 -4.141
92 HG11 VAL 13 HG11 VAL 13 10.363 -0.481 -3.158
93 HG12 VAL 13 HG12 VAL 13 11.948 -1.247 -3.005
94 HG13 VAL 13 HG13 VAL 13 11.224 -1.027 -4.598
95 HG21 VAL 13 HG21 VAL 13 11.777 2.580 -4.842
96 HG22 VAL 13 HG22 VAL 13 10.260 1.887 -4.263
97 HG23 VAL 13 HG23 VAL 13 11.099 1.155 -5.632
98 H ARG 14 HN ARG 14 10.617 3.396 -2.431
99 HA ARG 14 HA ARG 14 8.710 2.402 -0.482
100 HB2 ARG 14 HB2 ARG 14 9.313 4.758 -0.368
101 HB3 ARG 14 HB1 ARG 14 8.844 4.991 -2.044
102 HG2 ARG 14 HG2 ARG 14 6.528 4.585 -1.494
103 HG3 ARG 14 HG1 ARG 14 6.964 4.220 0.178
104 HD2 ARG 14 HD2 ARG 14 7.679 6.475 0.553
105 HD3 ARG 14 HD1 ARG 14 7.512 6.866 -1.157
106 HE ARG 14 HE ARG 14 5.095 6.601 -0.872
107 HH11 ARG 14 HH11 ARG 14 7.018 7.050 2.026
108 HH12 ARG 14 HH12 ARG 14 5.698 7.704 2.945
109 HH21 ARG 14 HH21 ARG 14 3.370 7.489 0.339
110 HH22 ARG 14 HH22 ARG 14 3.633 7.954 1.989
111 H VAL 15 HN VAL 15 7.721 0.695 -1.451
112 HA VAL 15 HA VAL 15 6.561 1.023 -4.103
113 HB VAL 15 HB VAL 15 7.748 -1.063 -3.591
114 HG11 VAL 15 HG11 VAL 15 5.585 -1.546 -1.566
115 HG12 VAL 15 HG12 VAL 15 7.293 -1.262 -1.230
116 HG13 VAL 15 HG13 VAL 15 6.790 -2.724 -2.080
117 HG21 VAL 15 HG21 VAL 15 6.022 -1.120 -5.280
118 HG22 VAL 15 HG22 VAL 15 4.797 -1.425 -4.051
119 HG23 VAL 15 HG23 VAL 15 6.032 -2.639 -4.383
120 H CYS 16 HN CYS 16 4.434 1.375 -4.462
121 HA CYS 16 HA CYS 16 2.665 1.198 -2.121
122 HB2 CYS 16 HB2 CYS 16 3.400 3.562 -3.151
123 HB3 CYS 16 HB1 CYS 16 2.024 3.212 -4.190
124 H HIS 17 HN HIS 17 0.537 0.655 -2.497
125 HA HIS 17 HA HIS 17 -0.299 -0.206 -5.119
126 HB2 HIS 17 HB2 HIS 17 -0.771 -2.563 -4.208
127 HB3 HIS 17 HB1 HIS 17 0.881 -2.184 -4.666
128 HD1 HIS 17 HD1 HIS 17 -1.264 -2.955 -1.705
129 HD2 HIS 17 HD2 HIS 17 2.717 -2.100 -2.538
130 HE1 HIS 17 HE1 HIS 17 -0.014 -3.424 0.423
131 HE2 HIS 17 HE2 HIS 17 2.414 -3.121 -0.178
132 H ARG 18 HN ARG 18 -2.497 -1.062 -5.102
133 HA ARG 18 HA ARG 18 -4.100 0.399 -3.149
134 HB2 ARG 18 HB2 ARG 18 -4.878 -0.987 -5.724
135 HB3 ARG 18 HB1 ARG 18 -6.009 -0.157 -4.668
136 HG2 ARG 18 HG2 ARG 18 -5.572 1.384 -6.348
137 HG3 ARG 18 HG1 ARG 18 -4.531 1.906 -5.025
138 HD2 ARG 18 HD2 ARG 18 -2.651 0.690 -6.086
139 HD3 ARG 18 HD1 ARG 18 -3.710 0.295 -7.440
140 HE ARG 18 HE ARG 18 -3.499 3.113 -6.837
141 HH11 ARG 18 HH11 ARG 18 -2.229 0.439 -8.718
142 HH12 ARG 18 HH12 ARG 18 -1.505 1.465 -9.914
143 HH21 ARG 18 HH21 ARG 18 -2.538 4.458 -8.406
144 HH22 ARG 18 HH22 ARG 18 -1.679 3.748 -9.735
145 H ARG 19 HN ARG 19 -4.934 -0.598 -1.449
146 HA ARG 19 HA ARG 19 -4.816 -3.497 -1.322
147 HB2 ARG 19 HB2 ARG 19 -4.032 -2.004 0.554
148 HB3 ARG 19 HB1 ARG 19 -5.710 -1.575 0.805
149 HG2 ARG 19 HG2 ARG 19 -6.260 -3.896 1.270
150 HG3 ARG 19 HG1 ARG 19 -4.570 -4.339 1.027
151 HD2 ARG 19 HD2 ARG 19 -3.893 -3.031 2.910
152 HD3 ARG 19 HD1 ARG 19 -5.510 -2.349 3.083
153 HE ARG 19 HE ARG 19 -5.530 -5.197 3.263
154 HH11 ARG 19 HH11 ARG 19 -4.812 -2.288 5.080
155 HH12 ARG 19 HH12 ARG 19 -5.182 -3.004 6.616
156 HH21 ARG 19 HH21 ARG 19 -6.018 -6.135 5.288
157 HH22 ARG 19 HH22 ARG 19 -5.875 -5.187 6.731
158 H ALA 20 HN ALA 20 -6.482 -4.698 -1.889
159 HA ALA 20 HA ALA 20 -9.189 -3.580 -1.601
160 HB1 ALA 20 HB1 ALA 20 -8.587 -4.092 -3.912
161 HB2 ALA 20 HB2 ALA 20 -9.889 -5.139 -3.349
162 HB3 ALA 20 HB3 ALA 20 -8.243 -5.759 -3.457
163 H ASN 21 HN ASN 21 -7.248 -5.264 0.162
164 HA ASN 21 HA ASN 21 -9.331 -6.779 1.424
165 HB2 ASN 21 HB2 ASN 21 -8.041 -8.928 1.430
166 HB3 ASN 21 HB1 ASN 21 -8.686 -8.478 -0.142
167 HD21 ASN 21 HD21 ASN 21 -7.258 -7.757 -1.748
168 HD22 ASN 21 HD22 ASN 21 -5.568 -8.108 -1.677
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -15.334 0.994 -3.301
2 H2 GLY 1 HT2 GLY 1 -16.171 0.081 -2.154
3 H3 GLY 1 HT3 GLY 1 -16.022 -0.485 -3.740
4 HA2 GLY 1 HA1 GLY 1 -14.520 -1.651 -2.244
5 HA3 GLY 1 HA2 GLY 1 -13.666 -0.759 -3.494
6 H PHE 2 HN PHE 2 -12.389 -1.524 -1.190
7 HA PHE 2 HA PHE 2 -12.020 1.047 0.200
8 HB2 PHE 2 HB2 PHE 2 -11.448 -1.746 1.221
9 HB3 PHE 2 HB1 PHE 2 -11.095 -0.256 2.090
10 HD1 PHE 2 HD1 PHE 2 -13.034 1.241 2.732
11 HD2 PHE 2 HD2 PHE 2 -13.550 -2.755 1.365
12 HE1 PHE 2 HE1 PHE 2 -15.285 1.196 3.721
13 HE2 PHE 2 HE2 PHE 2 -15.802 -2.806 2.353
14 HZ PHE 2 HZ PHE 2 -16.678 -0.825 3.517
15 H ALA 3 HN ALA 3 -10.854 0.650 -2.255
16 HA ALA 3 HA ALA 3 -8.188 -0.391 -1.882
17 HB1 ALA 3 HB1 ALA 3 -9.405 1.064 -4.219
18 HB2 ALA 3 HB2 ALA 3 -9.277 -0.685 -4.032
19 HB3 ALA 3 HB3 ALA 3 -7.820 0.296 -4.199
20 H TRP 4 HN TRP 4 -7.472 0.981 -0.198
21 HA TRP 4 HA TRP 4 -6.858 3.706 -1.018
22 HB2 TRP 4 HB2 TRP 4 -5.567 3.303 1.404
23 HB3 TRP 4 HB1 TRP 4 -7.118 4.090 1.175
24 HD1 TRP 4 HD1 TRP 4 -5.781 0.516 1.898
25 HE1 TRP 4 HE1 TRP 4 -7.471 -0.662 3.429
26 HE3 TRP 4 HE3 TRP 4 -9.360 4.154 2.088
27 HZ2 TRP 4 HZ2 TRP 4 -9.993 -0.124 4.566
28 HZ3 TRP 4 HZ3 TRP 4 -11.381 3.740 3.427
29 HH2 TRP 4 HH2 TRP 4 -11.690 1.647 4.640
30 H ASN 5 HN ASN 5 -4.879 4.379 -1.591
31 HA ASN 5 HA ASN 5 -2.956 2.400 -2.352
32 HB2 ASN 5 HB2 ASN 5 -3.170 4.286 -3.799
33 HB3 ASN 5 HB1 ASN 5 -2.937 5.416 -2.470
34 HD21 ASN 5 HD21 ASN 5 -0.890 5.920 -1.810
35 HD22 ASN 5 HD22 ASN 5 0.536 5.375 -2.623
36 H VAL 6 HN VAL 6 -1.413 1.612 -1.185
37 HA VAL 6 HA VAL 6 -0.602 3.013 1.271
38 HB VAL 6 HB VAL 6 -0.604 0.030 0.760
39 HG11 VAL 6 HG11 VAL 6 -0.070 1.582 3.290
40 HG12 VAL 6 HG12 VAL 6 1.135 0.743 2.313
41 HG13 VAL 6 HG13 VAL 6 -0.121 -0.174 3.143
42 HG21 VAL 6 HG21 VAL 6 -2.879 0.854 0.925
43 HG22 VAL 6 HG22 VAL 6 -2.486 1.701 2.420
44 HG23 VAL 6 HG23 VAL 6 -2.457 -0.061 2.373
45 H CYS 7 HN CYS 7 1.338 3.875 0.985
46 HA CYS 7 HA CYS 7 3.319 2.503 -0.675
47 HB2 CYS 7 HB2 CYS 7 3.526 5.200 0.662
48 HB3 CYS 7 HB1 CYS 7 4.614 4.545 -0.549
49 H VAL 8 HN VAL 8 4.842 1.289 0.198
50 HA VAL 8 HA VAL 8 5.655 1.743 2.983
51 HB VAL 8 HB VAL 8 5.623 -0.766 3.352
52 HG11 VAL 8 HG11 VAL 8 2.994 0.671 3.020
53 HG12 VAL 8 HG12 VAL 8 4.023 0.671 4.452
54 HG13 VAL 8 HG13 VAL 8 3.227 -0.818 3.938
55 HG21 VAL 8 HG21 VAL 8 3.788 -0.681 0.960
56 HG22 VAL 8 HG22 VAL 8 4.039 -2.073 2.014
57 HG23 VAL 8 HG23 VAL 8 5.370 -1.459 1.034
58 H TYR 9 HN TYR 9 7.677 0.740 3.531
59 HA TYR 9 HA TYR 9 9.509 0.810 1.325
60 HB2 TYR 9 HB2 TYR 9 9.830 0.468 4.293
61 HB3 TYR 9 HB1 TYR 9 11.188 0.269 3.194
62 HD1 TYR 9 HD1 TYR 9 12.086 2.186 1.968
63 HD2 TYR 9 HD2 TYR 9 8.876 2.632 4.720
64 HE1 TYR 9 HE1 TYR 9 12.451 4.618 1.987
65 HE2 TYR 9 HE2 TYR 9 9.227 5.062 4.747
66 HH TYR 9 HH TYR 9 10.893 6.686 4.279
67 H ARG 10 HN ARG 10 9.949 -0.831 0.102
68 HA ARG 10 HA ARG 10 10.345 -3.460 1.335
69 HB2 ARG 10 HB2 ARG 10 8.138 -3.520 0.263
70 HB3 ARG 10 HB1 ARG 10 8.842 -2.956 -1.244
71 HG2 ARG 10 HG2 ARG 10 8.424 -5.342 -1.322
72 HG3 ARG 10 HG1 ARG 10 10.154 -5.010 -1.407
73 HD2 ARG 10 HD2 ARG 10 10.371 -5.520 0.970
74 HD3 ARG 10 HD1 ARG 10 8.643 -5.839 1.069
75 HE ARG 10 HE ARG 10 9.550 -7.515 -0.892
76 HH11 ARG 10 HH11 ARG 10 10.432 -6.948 2.446
77 HH12 ARG 10 HH12 ARG 10 10.846 -8.602 2.758
78 HH21 ARG 10 HH21 ARG 10 10.115 -9.706 -0.493
79 HH22 ARG 10 HH22 ARG 10 10.679 -10.168 1.083
80 H ASN 11 HN ASN 11 12.357 -4.049 0.970
81 HA ASN 11 HA ASN 11 14.422 -4.287 0.059
82 HB2 ASN 11 HB2 ASN 11 13.055 -5.198 -1.864
83 HB3 ASN 11 HB1 ASN 11 13.149 -3.605 -2.603
84 HD21 ASN 11 HD21 ASN 11 14.252 -4.354 -4.382
85 HD22 ASN 11 HD22 ASN 11 15.906 -4.859 -4.314
86 H GLY 12 HN GLY 12 13.453 -1.726 1.033
87 HA2 GLY 12 HA2 GLY 12 14.714 0.218 1.412
88 HA3 GLY 12 HA1 GLY 12 15.594 -0.087 -0.075
89 H VAL 13 HN VAL 13 12.847 -0.519 -1.383
90 HA VAL 13 HA VAL 13 12.540 2.314 -2.060
91 HB VAL 13 HB VAL 13 11.419 -0.066 -3.536
92 HG11 VAL 13 HG11 VAL 13 10.284 2.024 -4.034
93 HG12 VAL 13 HG12 VAL 13 11.240 1.497 -5.419
94 HG13 VAL 13 HG13 VAL 13 11.829 2.798 -4.384
95 HG21 VAL 13 HG21 VAL 13 13.833 -0.254 -3.489
96 HG22 VAL 13 HG22 VAL 13 13.996 1.419 -4.026
97 HG23 VAL 13 HG23 VAL 13 13.296 0.212 -5.103
98 H ARG 14 HN ARG 14 10.710 3.414 -1.673
99 HA ARG 14 HA ARG 14 8.617 2.201 -0.129
100 HB2 ARG 14 HB2 ARG 14 9.437 4.526 0.225
101 HB3 ARG 14 HB1 ARG 14 8.781 4.961 -1.346
102 HG2 ARG 14 HG2 ARG 14 6.539 4.272 -0.508
103 HG3 ARG 14 HG1 ARG 14 7.263 4.093 1.093
104 HD2 ARG 14 HD2 ARG 14 6.270 6.269 0.952
105 HD3 ARG 14 HD1 ARG 14 8.025 6.442 0.942
106 HE ARG 14 HE ARG 14 7.497 6.423 -1.668
107 HH11 ARG 14 HH11 ARG 14 5.938 8.174 0.931
108 HH12 ARG 14 HH12 ARG 14 5.555 9.546 -0.057
109 HH21 ARG 14 HH21 ARG 14 6.986 8.210 -2.972
110 HH22 ARG 14 HH22 ARG 14 6.138 9.560 -2.282
111 H VAL 15 HN VAL 15 7.397 0.797 -1.270
112 HA VAL 15 HA VAL 15 6.629 1.443 -4.005
113 HB VAL 15 HB VAL 15 7.510 -0.801 -3.482
114 HG11 VAL 15 HG11 VAL 15 6.646 -1.113 -1.253
115 HG12 VAL 15 HG12 VAL 15 6.107 -2.428 -2.296
116 HG13 VAL 15 HG13 VAL 15 4.994 -1.130 -1.867
117 HG21 VAL 15 HG21 VAL 15 6.084 -0.498 -5.421
118 HG22 VAL 15 HG22 VAL 15 4.652 -0.775 -4.432
119 HG23 VAL 15 HG23 VAL 15 5.809 -2.081 -4.695
120 H CYS 16 HN CYS 16 4.627 2.004 -4.624
121 HA CYS 16 HA CYS 16 2.577 2.188 -2.525
122 HB2 CYS 16 HB2 CYS 16 2.787 3.724 -5.116
123 HB3 CYS 16 HB1 CYS 16 1.548 3.944 -3.890
124 H HIS 17 HN HIS 17 0.844 0.970 -2.681
125 HA HIS 17 HA HIS 17 -0.095 0.059 -5.277
126 HB2 HIS 17 HB2 HIS 17 -0.330 -2.284 -4.456
127 HB3 HIS 17 HB1 HIS 17 1.330 -1.776 -4.687
128 HD1 HIS 17 HD1 HIS 17 -1.046 -3.001 -2.136
129 HD2 HIS 17 HD2 HIS 17 2.796 -1.422 -2.248
130 HE1 HIS 17 HE1 HIS 17 -0.054 -3.485 0.118
131 HE2 HIS 17 HE2 HIS 17 2.338 -2.721 -0.059
132 H ARG 18 HN ARG 18 -2.208 -0.919 -5.160
133 HA ARG 18 HA ARG 18 -3.828 0.528 -3.239
134 HB2 ARG 18 HB2 ARG 18 -5.746 -0.277 -4.642
135 HB3 ARG 18 HB1 ARG 18 -4.573 0.710 -5.497
136 HG2 ARG 18 HG2 ARG 18 -4.831 -0.911 -7.047
137 HG3 ARG 18 HG1 ARG 18 -3.583 -1.694 -6.082
138 HD2 ARG 18 HD2 ARG 18 -5.326 -3.283 -6.551
139 HD3 ARG 18 HD1 ARG 18 -5.353 -2.888 -4.834
140 HE ARG 18 HE ARG 18 -7.142 -1.198 -6.193
141 HH11 ARG 18 HH11 ARG 18 -6.779 -4.554 -5.274
142 HH12 ARG 18 HH12 ARG 18 -8.485 -4.861 -5.215
143 HH21 ARG 18 HH21 ARG 18 -9.403 -1.601 -6.123
144 HH22 ARG 18 HH22 ARG 18 -9.977 -3.183 -5.708
145 H ARG 19 HN ARG 19 -4.685 -0.302 -1.483
146 HA ARG 19 HA ARG 19 -4.270 -3.017 -0.743
147 HB2 ARG 19 HB2 ARG 19 -4.328 -1.283 0.939
148 HB3 ARG 19 HB1 ARG 19 -5.961 -0.835 0.471
149 HG2 ARG 19 HG2 ARG 19 -6.306 -2.058 2.391
150 HG3 ARG 19 HG1 ARG 19 -6.566 -3.257 1.128
151 HD2 ARG 19 HD2 ARG 19 -3.994 -2.877 2.655
152 HD3 ARG 19 HD1 ARG 19 -5.209 -4.099 3.015
153 HE ARG 19 HE ARG 19 -3.463 -4.026 0.650
154 HH11 ARG 19 HH11 ARG 19 -5.827 -5.709 2.626
155 HH12 ARG 19 HH12 ARG 19 -5.475 -7.263 1.930
156 HH21 ARG 19 HH21 ARG 19 -3.004 -6.077 -0.250
157 HH22 ARG 19 HH22 ARG 19 -3.871 -7.472 0.305
158 H ALA 20 HN ALA 20 -5.511 -4.733 -1.094
159 HA ALA 20 HA ALA 20 -8.088 -4.381 -2.411
160 HB1 ALA 20 HB1 ALA 20 -7.962 -6.796 -2.818
161 HB2 ALA 20 HB2 ALA 20 -6.471 -6.874 -1.879
162 HB3 ALA 20 HB3 ALA 20 -6.517 -5.964 -3.390
163 H ASN 21 HN ASN 21 -8.231 -3.487 0.111
164 HA ASN 21 HA ASN 21 -9.192 -3.647 2.149
165 HB2 ASN 21 HB2 ASN 21 -11.176 -4.331 0.859
166 HB3 ASN 21 HB1 ASN 21 -10.653 -6.010 0.945
167 HD21 ASN 21 HD21 ASN 21 -11.900 -3.301 2.742
168 HD22 ASN 21 HD22 ASN 21 -12.434 -4.203 4.118
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -16.028 3.469 -1.699
2 H2 GLY 1 HT2 GLY 1 -16.356 3.500 -3.357
3 H3 GLY 1 HT3 GLY 1 -14.885 4.092 -2.776
4 HA2 GLY 1 HA1 GLY 1 -15.784 1.270 -2.683
5 HA3 GLY 1 HA2 GLY 1 -14.564 1.930 -3.766
6 H PHE 2 HN PHE 2 -12.998 0.490 -2.937
7 HA PHE 2 HA PHE 2 -12.101 1.141 -0.211
8 HB2 PHE 2 HB2 PHE 2 -10.938 -1.076 -0.255
9 HB3 PHE 2 HB1 PHE 2 -12.693 -1.180 -0.293
10 HD1 PHE 2 HD1 PHE 2 -13.793 -1.529 -2.597
11 HD2 PHE 2 HD2 PHE 2 -9.658 -2.189 -1.831
12 HE1 PHE 2 HE1 PHE 2 -13.662 -2.981 -4.579
13 HE2 PHE 2 HE2 PHE 2 -9.517 -3.634 -3.816
14 HZ PHE 2 HZ PHE 2 -11.521 -4.032 -5.193
15 H ALA 3 HN ALA 3 -11.493 2.827 -2.250
16 HA ALA 3 HA ALA 3 -8.925 2.142 -3.376
17 HB1 ALA 3 HB1 ALA 3 -9.059 4.279 -4.507
18 HB2 ALA 3 HB2 ALA 3 -10.451 4.737 -3.532
19 HB3 ALA 3 HB3 ALA 3 -10.580 3.408 -4.684
20 H TRP 4 HN TRP 4 -7.697 1.909 -1.452
21 HA TRP 4 HA TRP 4 -6.579 4.490 -0.702
22 HB2 TRP 4 HB2 TRP 4 -6.043 3.198 1.542
23 HB3 TRP 4 HB1 TRP 4 -7.526 4.111 1.343
24 HD1 TRP 4 HD1 TRP 4 -6.275 0.448 1.188
25 HE1 TRP 4 HE1 TRP 4 -8.237 -1.081 1.851
26 HE3 TRP 4 HE3 TRP 4 -9.927 3.981 1.604
27 HZ2 TRP 4 HZ2 TRP 4 -10.978 -0.814 2.478
28 HZ3 TRP 4 HZ3 TRP 4 -12.196 3.269 2.243
29 HH2 TRP 4 HH2 TRP 4 -12.709 0.921 2.670
30 H ASN 5 HN ASN 5 -4.616 4.546 -1.480
31 HA ASN 5 HA ASN 5 -3.165 2.112 -2.060
32 HB2 ASN 5 HB2 ASN 5 -2.534 5.028 -2.534
33 HB3 ASN 5 HB1 ASN 5 -1.433 3.721 -2.952
34 HD21 ASN 5 HD21 ASN 5 -2.891 5.725 -4.580
35 HD22 ASN 5 HD22 ASN 5 -3.748 4.803 -5.766
36 H VAL 6 HN VAL 6 -1.514 1.312 -0.945
37 HA VAL 6 HA VAL 6 -0.612 2.806 1.423
38 HB VAL 6 HB VAL 6 -0.964 -0.190 1.156
39 HG11 VAL 6 HG11 VAL 6 -0.405 -0.265 3.544
40 HG12 VAL 6 HG12 VAL 6 -0.083 1.470 3.518
41 HG13 VAL 6 HG13 VAL 6 0.930 0.371 2.580
42 HG21 VAL 6 HG21 VAL 6 -2.519 1.829 2.770
43 HG22 VAL 6 HG22 VAL 6 -2.726 0.079 2.842
44 HG23 VAL 6 HG23 VAL 6 -3.099 0.951 1.355
45 H CYS 7 HN CYS 7 1.416 3.412 1.180
46 HA CYS 7 HA CYS 7 3.254 2.039 -0.552
47 HB2 CYS 7 HB2 CYS 7 3.416 4.445 1.190
48 HB3 CYS 7 HB1 CYS 7 4.904 3.673 0.686
49 H VAL 8 HN VAL 8 4.850 0.718 -0.056
50 HA VAL 8 HA VAL 8 5.399 0.141 2.774
51 HB VAL 8 HB VAL 8 5.719 -2.271 2.165
52 HG11 VAL 8 HG11 VAL 8 3.733 -1.542 3.354
53 HG12 VAL 8 HG12 VAL 8 3.336 -2.839 2.228
54 HG13 VAL 8 HG13 VAL 8 2.933 -1.169 1.828
55 HG21 VAL 8 HG21 VAL 8 4.582 -3.106 0.146
56 HG22 VAL 8 HG22 VAL 8 5.947 -2.057 -0.231
57 HG23 VAL 8 HG23 VAL 8 4.300 -1.441 -0.361
58 H TYR 9 HN TYR 9 7.521 -0.901 3.073
59 HA TYR 9 HA TYR 9 9.402 0.288 1.178
60 HB2 TYR 9 HB2 TYR 9 9.695 -0.523 4.071
61 HB3 TYR 9 HB1 TYR 9 11.032 0.026 3.072
62 HD1 TYR 9 HD1 TYR 9 11.011 2.348 2.157
63 HD2 TYR 9 HD2 TYR 9 8.161 1.025 5.021
64 HE1 TYR 9 HE1 TYR 9 10.441 4.685 2.658
65 HE2 TYR 9 HE2 TYR 9 7.584 3.359 5.534
66 HH TYR 9 HH TYR 9 8.626 5.592 5.362
67 H ARG 10 HN ARG 10 9.802 -1.151 -0.358
68 HA ARG 10 HA ARG 10 10.592 -3.868 0.441
69 HB2 ARG 10 HB2 ARG 10 9.719 -2.762 -2.229
70 HB3 ARG 10 HB1 ARG 10 10.307 -4.400 -1.990
71 HG2 ARG 10 HG2 ARG 10 7.919 -3.257 -0.577
72 HG3 ARG 10 HG1 ARG 10 7.827 -4.180 -2.077
73 HD2 ARG 10 HD2 ARG 10 7.414 -5.777 -0.436
74 HD3 ARG 10 HD1 ARG 10 9.127 -5.988 -0.785
75 HE ARG 10 HE ARG 10 9.078 -4.234 1.309
76 HH11 ARG 10 HH11 ARG 10 7.761 -7.424 0.736
77 HH12 ARG 10 HH12 ARG 10 7.847 -7.901 2.403
78 HH21 ARG 10 HH21 ARG 10 9.181 -4.852 3.512
79 HH22 ARG 10 HH22 ARG 10 8.651 -6.436 3.982
80 H ASN 11 HN ASN 11 12.665 -3.721 0.954
81 HA ASN 11 HA ASN 11 14.913 -3.505 0.775
82 HB2 ASN 11 HB2 ASN 11 14.435 -4.950 -1.236
83 HB3 ASN 11 HB1 ASN 11 14.457 -3.487 -2.215
84 HD21 ASN 11 HD21 ASN 11 16.210 -4.234 -3.416
85 HD22 ASN 11 HD22 ASN 11 17.814 -4.275 -2.767
86 H GLY 12 HN GLY 12 13.551 -1.145 1.217
87 HA2 GLY 12 HA2 GLY 12 14.336 1.037 1.486
88 HA3 GLY 12 HA1 GLY 12 15.536 0.734 0.240
89 H VAL 13 HN VAL 13 12.708 -0.315 -1.041
90 HA VAL 13 HA VAL 13 12.255 2.254 -2.387
91 HB VAL 13 HB VAL 13 11.216 -0.456 -3.180
92 HG11 VAL 13 HG11 VAL 13 10.775 0.577 -5.342
93 HG12 VAL 13 HG12 VAL 13 11.358 2.121 -4.723
94 HG13 VAL 13 HG13 VAL 13 9.901 1.394 -4.046
95 HG21 VAL 13 HG21 VAL 13 13.631 1.022 -4.210
96 HG22 VAL 13 HG22 VAL 13 12.969 -0.457 -4.905
97 HG23 VAL 13 HG23 VAL 13 13.640 -0.473 -3.275
98 H ARG 14 HN ARG 14 10.550 3.406 -1.881
99 HA ARG 14 HA ARG 14 8.433 2.275 -0.242
100 HB2 ARG 14 HB2 ARG 14 9.533 4.452 0.317
101 HB3 ARG 14 HB1 ARG 14 8.854 5.124 -1.159
102 HG2 ARG 14 HG2 ARG 14 6.617 4.800 -0.329
103 HG3 ARG 14 HG1 ARG 14 7.241 3.995 1.114
104 HD2 ARG 14 HD2 ARG 14 6.756 6.226 1.741
105 HD3 ARG 14 HD1 ARG 14 8.509 6.090 1.610
106 HE ARG 14 HE ARG 14 8.151 7.095 -0.702
107 HH11 ARG 14 HH11 ARG 14 6.098 7.822 2.051
108 HH12 ARG 14 HH12 ARG 14 5.708 9.416 1.491
109 HH21 ARG 14 HH21 ARG 14 7.631 9.187 -1.429
110 HH22 ARG 14 HH22 ARG 14 6.569 10.187 -0.489
111 H VAL 15 HN VAL 15 6.989 1.178 -1.451
112 HA VAL 15 HA VAL 15 6.058 2.454 -3.938
113 HB VAL 15 HB VAL 15 7.268 0.427 -4.428
114 HG11 VAL 15 HG11 VAL 15 7.058 -0.730 -2.312
115 HG12 VAL 15 HG12 VAL 15 6.542 -1.769 -3.640
116 HG13 VAL 15 HG13 VAL 15 5.339 -0.992 -2.609
117 HG21 VAL 15 HG21 VAL 15 5.556 -0.815 -5.668
118 HG22 VAL 15 HG22 VAL 15 5.356 0.929 -5.839
119 HG23 VAL 15 HG23 VAL 15 4.302 0.023 -4.754
120 H CYS 16 HN CYS 16 4.024 3.100 -3.959
121 HA CYS 16 HA CYS 16 2.143 2.093 -1.988
122 HB2 CYS 16 HB2 CYS 16 2.124 4.368 -3.915
123 HB3 CYS 16 HB1 CYS 16 0.599 3.757 -3.307
124 H HIS 17 HN HIS 17 0.460 0.858 -2.377
125 HA HIS 17 HA HIS 17 -0.164 0.021 -5.096
126 HB2 HIS 17 HB2 HIS 17 -0.105 -2.379 -4.431
127 HB3 HIS 17 HB1 HIS 17 1.475 -1.623 -4.463
128 HD1 HIS 17 HD1 HIS 17 -1.140 -2.855 -2.039
129 HD2 HIS 17 HD2 HIS 17 2.852 -1.695 -2.070
130 HE1 HIS 17 HE1 HIS 17 -0.255 -3.415 0.246
131 HE2 HIS 17 HE2 HIS 17 2.212 -2.933 0.106
132 H ARG 18 HN ARG 18 -2.103 -1.256 -5.208
133 HA ARG 18 HA ARG 18 -4.237 -0.287 -3.641
134 HB2 ARG 18 HB2 ARG 18 -4.143 -2.886 -5.191
135 HB3 ARG 18 HB1 ARG 18 -5.587 -2.032 -4.675
136 HG2 ARG 18 HG2 ARG 18 -3.582 -1.054 -6.695
137 HG3 ARG 18 HG1 ARG 18 -5.175 -1.724 -7.044
138 HD2 ARG 18 HD2 ARG 18 -6.131 0.149 -5.643
139 HD3 ARG 18 HD1 ARG 18 -4.517 0.862 -5.653
140 HE ARG 18 HE ARG 18 -6.097 0.333 -8.089
141 HH11 ARG 18 HH11 ARG 18 -3.896 2.363 -6.252
142 HH12 ARG 18 HH12 ARG 18 -3.706 3.511 -7.543
143 HH21 ARG 18 HH21 ARG 18 -5.845 1.847 -9.753
144 HH22 ARG 18 HH22 ARG 18 -4.795 3.211 -9.527
145 H ARG 19 HN ARG 19 -5.253 -1.139 -1.837
146 HA ARG 19 HA ARG 19 -3.694 -3.141 -0.405
147 HB2 ARG 19 HB2 ARG 19 -4.355 -1.036 0.744
148 HB3 ARG 19 HB1 ARG 19 -6.040 -1.520 0.583
149 HG2 ARG 19 HG2 ARG 19 -5.579 -3.523 1.920
150 HG3 ARG 19 HG1 ARG 19 -3.906 -2.997 2.110
151 HD2 ARG 19 HD2 ARG 19 -4.675 -0.970 3.239
152 HD3 ARG 19 HD1 ARG 19 -6.348 -1.498 3.050
153 HE ARG 19 HE ARG 19 -5.053 -3.565 4.349
154 HH11 ARG 19 HH11 ARG 19 -5.678 -0.167 4.959
155 HH12 ARG 19 HH12 ARG 19 -5.699 -0.353 6.684
156 HH21 ARG 19 HH21 ARG 19 -5.042 -3.797 6.617
157 HH22 ARG 19 HH22 ARG 19 -5.328 -2.415 7.627
158 H ALA 20 HN ALA 20 -4.305 -5.164 -0.149
159 HA ALA 20 HA ALA 20 -7.028 -5.947 -0.939
160 HB1 ALA 20 HB1 ALA 20 -5.222 -7.086 -2.140
161 HB2 ALA 20 HB2 ALA 20 -6.127 -8.220 -1.135
162 HB3 ALA 20 HB3 ALA 20 -4.548 -7.641 -0.607
163 H ASN 21 HN ASN 21 -6.946 -4.679 1.386
164 HA ASN 21 HA ASN 21 -7.339 -4.695 3.602
165 HB2 ASN 21 HB2 ASN 21 -9.144 -6.264 2.984
166 HB3 ASN 21 HB1 ASN 21 -8.030 -7.610 3.190
167 HD21 ASN 21 HD21 ASN 21 -9.881 -5.153 4.786
168 HD22 ASN 21 HD22 ASN 21 -9.738 -5.795 6.386
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -16.851 0.884 -4.237
2 H2 GLY 1 HT2 GLY 1 -16.628 1.184 -5.886
3 H3 GLY 1 HT3 GLY 1 -16.184 2.349 -4.746
4 HA2 GLY 1 HA1 GLY 1 -14.940 -0.324 -5.030
5 HA3 GLY 1 HA2 GLY 1 -14.250 1.179 -5.626
6 H PHE 2 HN PHE 2 -12.487 0.291 -4.198
7 HA PHE 2 HA PHE 2 -12.770 1.445 -1.514
8 HB2 PHE 2 HB2 PHE 2 -11.497 -1.235 -2.130
9 HB3 PHE 2 HB1 PHE 2 -11.518 -0.450 -0.557
10 HD1 PHE 2 HD1 PHE 2 -13.894 0.121 0.379
11 HD2 PHE 2 HD2 PHE 2 -13.123 -2.780 -2.639
12 HE1 PHE 2 HE1 PHE 2 -16.027 -0.983 0.903
13 HE2 PHE 2 HE2 PHE 2 -15.258 -3.887 -2.121
14 HZ PHE 2 HZ PHE 2 -16.712 -2.990 -0.348
15 H ALA 3 HN ALA 3 -11.516 3.212 -1.996
16 HA ALA 3 HA ALA 3 -8.961 2.763 -3.340
17 HB1 ALA 3 HB1 ALA 3 -8.946 5.158 -3.768
18 HB2 ALA 3 HB2 ALA 3 -10.424 5.345 -2.826
19 HB3 ALA 3 HB3 ALA 3 -10.449 4.424 -4.329
20 H TRP 4 HN TRP 4 -7.845 1.928 -1.510
21 HA TRP 4 HA TRP 4 -6.750 4.144 0.039
22 HB2 TRP 4 HB2 TRP 4 -6.188 2.224 1.736
23 HB3 TRP 4 HB1 TRP 4 -7.720 3.073 1.810
24 HD1 TRP 4 HD1 TRP 4 -6.312 -0.238 0.326
25 HE1 TRP 4 HE1 TRP 4 -8.175 -2.012 0.497
26 HE3 TRP 4 HE3 TRP 4 -10.026 2.712 2.182
27 HZ2 TRP 4 HZ2 TRP 4 -10.882 -2.127 1.333
28 HZ3 TRP 4 HZ3 TRP 4 -12.227 1.701 2.648
29 HH2 TRP 4 HH2 TRP 4 -12.642 -0.666 2.230
30 H ASN 5 HN ASN 5 -4.701 4.455 -0.452
31 HA ASN 5 HA ASN 5 -3.242 2.294 -1.774
32 HB2 ASN 5 HB2 ASN 5 -2.666 5.254 -1.574
33 HB3 ASN 5 HB1 ASN 5 -1.587 4.095 -2.344
34 HD21 ASN 5 HD21 ASN 5 -4.564 5.842 -2.587
35 HD22 ASN 5 HD22 ASN 5 -4.909 5.436 -4.231
36 H VAL 6 HN VAL 6 -1.566 1.302 -0.892
37 HA VAL 6 HA VAL 6 -0.660 2.205 1.758
38 HB VAL 6 HB VAL 6 -0.997 -0.625 0.743
39 HG11 VAL 6 HG11 VAL 6 -0.262 -1.331 2.969
40 HG12 VAL 6 HG12 VAL 6 0.068 0.350 3.391
41 HG13 VAL 6 HG13 VAL 6 1.004 -0.441 2.121
42 HG21 VAL 6 HG21 VAL 6 -3.098 0.381 1.385
43 HG22 VAL 6 HG22 VAL 6 -2.409 0.904 2.921
44 HG23 VAL 6 HG23 VAL 6 -2.617 -0.816 2.591
45 H CYS 7 HN CYS 7 1.308 2.999 1.549
46 HA CYS 7 HA CYS 7 3.094 1.944 -0.502
47 HB2 CYS 7 HB2 CYS 7 3.516 4.306 1.331
48 HB3 CYS 7 HB1 CYS 7 4.468 3.896 -0.084
49 H VAL 8 HN VAL 8 4.868 0.728 -0.042
50 HA VAL 8 HA VAL 8 5.599 0.442 2.794
51 HB VAL 8 HB VAL 8 6.015 -2.014 2.337
52 HG11 VAL 8 HG11 VAL 8 4.156 -1.266 3.694
53 HG12 VAL 8 HG12 VAL 8 3.670 -2.641 2.704
54 HG13 VAL 8 HG13 VAL 8 3.175 -1.010 2.251
55 HG21 VAL 8 HG21 VAL 8 5.939 -1.959 -0.095
56 HG22 VAL 8 HG22 VAL 8 4.251 -1.448 -0.047
57 HG23 VAL 8 HG23 VAL 8 4.708 -3.049 0.536
58 H TYR 9 HN TYR 9 7.737 -0.025 3.216
59 HA TYR 9 HA TYR 9 9.565 0.665 1.065
60 HB2 TYR 9 HB2 TYR 9 9.923 0.327 4.042
61 HB3 TYR 9 HB1 TYR 9 11.265 0.621 2.946
62 HD1 TYR 9 HD1 TYR 9 11.455 2.778 1.766
63 HD2 TYR 9 HD2 TYR 9 8.400 2.075 4.639
64 HE1 TYR 9 HE1 TYR 9 11.058 5.197 1.928
65 HE2 TYR 9 HE2 TYR 9 7.993 4.493 4.804
66 HH TYR 9 HH TYR 9 9.370 6.743 2.595
67 H ARG 10 HN ARG 10 10.030 -0.978 -0.230
68 HA ARG 10 HA ARG 10 10.810 -3.533 1.015
69 HB2 ARG 10 HB2 ARG 10 9.556 -3.080 -1.698
70 HB3 ARG 10 HB1 ARG 10 10.099 -4.635 -1.080
71 HG2 ARG 10 HG2 ARG 10 7.971 -2.935 0.180
72 HG3 ARG 10 HG1 ARG 10 7.663 -4.301 -0.891
73 HD2 ARG 10 HD2 ARG 10 9.066 -4.395 1.779
74 HD3 ARG 10 HD1 ARG 10 7.427 -4.945 1.446
75 HE ARG 10 HE ARG 10 9.550 -6.194 -0.099
76 HH11 ARG 10 HH11 ARG 10 7.409 -6.382 2.663
77 HH12 ARG 10 HH12 ARG 10 7.563 -8.105 2.822
78 HH21 ARG 10 HH21 ARG 10 9.757 -8.458 0.115
79 HH22 ARG 10 HH22 ARG 10 8.887 -9.284 1.371
80 H ASN 11 HN ASN 11 12.906 -3.526 1.074
81 HA ASN 11 HA ASN 11 15.087 -3.562 0.451
82 HB2 ASN 11 HB2 ASN 11 14.179 -4.928 -1.471
83 HB3 ASN 11 HB1 ASN 11 14.134 -3.446 -2.417
84 HD21 ASN 11 HD21 ASN 11 15.611 -4.184 -3.913
85 HD22 ASN 11 HD22 ASN 11 17.289 -4.383 -3.550
86 H GLY 12 HN GLY 12 13.643 -1.079 0.917
87 HA2 GLY 12 HA2 GLY 12 14.781 0.981 1.234
88 HA3 GLY 12 HA1 GLY 12 15.708 0.665 -0.221
89 H VAL 13 HN VAL 13 12.977 -0.101 -1.503
90 HA VAL 13 HA VAL 13 12.442 2.664 -2.299
91 HB VAL 13 HB VAL 13 13.023 1.069 -4.088
92 HG11 VAL 13 HG11 VAL 13 12.023 -0.953 -3.203
93 HG12 VAL 13 HG12 VAL 13 11.394 -0.610 -4.817
94 HG13 VAL 13 HG13 VAL 13 10.412 -0.259 -3.395
95 HG21 VAL 13 HG21 VAL 13 10.236 2.196 -4.244
96 HG22 VAL 13 HG22 VAL 13 11.200 1.673 -5.624
97 HG23 VAL 13 HG23 VAL 13 11.734 3.035 -4.641
98 H ARG 14 HN ARG 14 10.501 3.598 -2.184
99 HA ARG 14 HA ARG 14 8.540 2.351 -0.433
100 HB2 ARG 14 HB2 ARG 14 9.339 4.736 -0.147
101 HB3 ARG 14 HB1 ARG 14 8.490 5.126 -1.636
102 HG2 ARG 14 HG2 ARG 14 6.383 4.387 -0.593
103 HG3 ARG 14 HG1 ARG 14 7.259 4.102 0.914
104 HD2 ARG 14 HD2 ARG 14 7.975 6.508 0.832
105 HD3 ARG 14 HD1 ARG 14 6.856 6.723 -0.513
106 HE ARG 14 HE ARG 14 5.800 5.645 1.987
107 HH11 ARG 14 HH11 ARG 14 6.107 8.368 -0.192
108 HH12 ARG 14 HH12 ARG 14 4.810 9.258 0.535
109 HH21 ARG 14 HH21 ARG 14 4.109 6.826 2.962
110 HH22 ARG 14 HH22 ARG 14 3.674 8.381 2.331
111 H VAL 15 HN VAL 15 7.444 0.861 -1.637
112 HA VAL 15 HA VAL 15 6.328 1.724 -4.211
113 HB VAL 15 HB VAL 15 7.630 -0.380 -4.155
114 HG11 VAL 15 HG11 VAL 15 6.654 -2.398 -3.172
115 HG12 VAL 15 HG12 VAL 15 5.399 -1.407 -2.431
116 HG13 VAL 15 HG13 VAL 15 7.084 -1.193 -1.960
117 HG21 VAL 15 HG21 VAL 15 5.986 -0.042 -5.898
118 HG22 VAL 15 HG22 VAL 15 4.720 -0.692 -4.858
119 HG23 VAL 15 HG23 VAL 15 6.021 -1.739 -5.424
120 H CYS 16 HN CYS 16 4.151 1.922 -4.521
121 HA CYS 16 HA CYS 16 2.512 1.417 -2.139
122 HB2 CYS 16 HB2 CYS 16 3.002 3.856 -3.222
123 HB3 CYS 16 HB1 CYS 16 1.519 3.415 -4.050
124 H HIS 17 HN HIS 17 0.523 0.607 -2.362
125 HA HIS 17 HA HIS 17 -0.611 -0.015 -4.934
126 HB2 HIS 17 HB2 HIS 17 -0.735 -2.428 -4.542
127 HB3 HIS 17 HB1 HIS 17 0.924 -1.901 -4.685
128 HD1 HIS 17 HD1 HIS 17 -1.487 -3.479 -2.353
129 HD2 HIS 17 HD2 HIS 17 2.408 -2.018 -2.236
130 HE1 HIS 17 HE1 HIS 17 -0.499 -4.344 -0.211
131 HE2 HIS 17 HE2 HIS 17 1.905 -3.605 -0.255
132 H ARG 18 HN ARG 18 -2.704 -1.057 -4.684
133 HA ARG 18 HA ARG 18 -4.180 0.060 -2.488
134 HB2 ARG 18 HB2 ARG 18 -5.032 -1.972 -4.562
135 HB3 ARG 18 HB1 ARG 18 -6.108 -1.133 -3.459
136 HG2 ARG 18 HG2 ARG 18 -5.525 0.995 -4.512
137 HG3 ARG 18 HG1 ARG 18 -4.449 0.141 -5.622
138 HD2 ARG 18 HD2 ARG 18 -6.615 0.604 -6.662
139 HD3 ARG 18 HD1 ARG 18 -6.336 -1.128 -6.498
140 HE ARG 18 HE ARG 18 -8.173 0.480 -4.852
141 HH11 ARG 18 HH11 ARG 18 -7.073 -2.624 -6.036
142 HH12 ARG 18 HH12 ARG 18 -8.401 -3.503 -5.350
143 HH21 ARG 18 HH21 ARG 18 -9.913 -0.668 -3.940
144 HH22 ARG 18 HH22 ARG 18 -10.022 -2.388 -4.161
145 H ARG 19 HN ARG 19 -4.970 -0.998 -0.681
146 HA ARG 19 HA ARG 19 -3.741 -3.504 0.014
147 HB2 ARG 19 HB2 ARG 19 -4.220 -1.747 1.710
148 HB3 ARG 19 HB1 ARG 19 -5.934 -2.004 1.432
149 HG2 ARG 19 HG2 ARG 19 -5.767 -4.276 2.245
150 HG3 ARG 19 HG1 ARG 19 -4.027 -4.081 2.471
151 HD2 ARG 19 HD2 ARG 19 -6.120 -2.414 3.854
152 HD3 ARG 19 HD1 ARG 19 -5.364 -3.839 4.560
153 HE ARG 19 HE ARG 19 -3.205 -2.457 4.066
154 HH11 ARG 19 HH11 ARG 19 -6.274 -1.256 5.238
155 HH12 ARG 19 HH12 ARG 19 -5.566 0.051 6.131
156 HH21 ARG 19 HH21 ARG 19 -2.269 -0.737 5.256
157 HH22 ARG 19 HH22 ARG 19 -3.296 0.357 6.128
158 H ALA 20 HN ALA 20 -4.421 -5.282 -0.895
159 HA ALA 20 HA ALA 20 -7.238 -5.535 -1.674
160 HB1 ALA 20 HB1 ALA 20 -5.578 -5.795 -3.457
161 HB2 ALA 20 HB2 ALA 20 -6.489 -7.282 -3.197
162 HB3 ALA 20 HB3 ALA 20 -4.845 -7.137 -2.578
163 H ASN 21 HN ASN 21 -6.836 -5.831 0.988
164 HA ASN 21 HA ASN 21 -7.645 -8.581 1.354
165 HB2 ASN 21 HB2 ASN 21 -6.100 -8.807 3.373
166 HB3 ASN 21 HB1 ASN 21 -5.350 -8.939 1.790
167 HD21 ASN 21 HD21 ASN 21 -5.668 -7.019 4.658
168 HD22 ASN 21 HD22 ASN 21 -4.333 -5.965 4.342
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -16.453 3.213 -0.458
2 H2 GLY 1 HT2 GLY 1 -14.898 3.422 0.168
3 H3 GLY 1 HT3 GLY 1 -15.953 2.315 0.884
4 HA2 GLY 1 HA1 GLY 1 -15.908 0.923 -1.056
5 HA3 GLY 1 HA2 GLY 1 -14.894 2.101 -1.872
6 H PHE 2 HN PHE 2 -12.889 1.372 -2.029
7 HA PHE 2 HA PHE 2 -11.564 0.393 0.376
8 HB2 PHE 2 HB2 PHE 2 -10.574 -1.520 -0.803
9 HB3 PHE 2 HB1 PHE 2 -12.328 -1.643 -0.755
10 HD1 PHE 2 HD1 PHE 2 -13.626 -0.965 -2.831
11 HD2 PHE 2 HD2 PHE 2 -9.421 -1.615 -2.833
12 HE1 PHE 2 HE1 PHE 2 -13.676 -1.251 -5.273
13 HE2 PHE 2 HE2 PHE 2 -9.463 -1.903 -5.272
14 HZ PHE 2 HZ PHE 2 -11.583 -1.731 -6.497
15 H ALA 3 HN ALA 3 -11.455 2.844 -1.053
16 HA ALA 3 HA ALA 3 -9.062 2.783 -2.678
17 HB1 ALA 3 HB1 ALA 3 -10.738 5.131 -1.813
18 HB2 ALA 3 HB2 ALA 3 -10.910 4.236 -3.323
19 HB3 ALA 3 HB3 ALA 3 -9.443 5.162 -3.009
20 H TRP 4 HN TRP 4 -7.554 2.079 -1.131
21 HA TRP 4 HA TRP 4 -6.354 4.346 0.205
22 HB2 TRP 4 HB2 TRP 4 -5.697 2.494 2.009
23 HB3 TRP 4 HB1 TRP 4 -7.093 3.536 2.199
24 HD1 TRP 4 HD1 TRP 4 -6.231 -0.059 1.027
25 HE1 TRP 4 HE1 TRP 4 -8.279 -1.555 1.518
26 HE3 TRP 4 HE3 TRP 4 -9.463 3.515 2.701
27 HZ2 TRP 4 HZ2 TRP 4 -10.912 -1.246 2.497
28 HZ3 TRP 4 HZ3 TRP 4 -11.723 2.842 3.403
29 HH2 TRP 4 HH2 TRP 4 -12.429 0.510 3.302
30 H ASN 5 HN ASN 5 -4.505 4.543 -0.809
31 HA ASN 5 HA ASN 5 -3.199 2.295 -2.049
32 HB2 ASN 5 HB2 ASN 5 -2.350 5.189 -1.756
33 HB3 ASN 5 HB1 ASN 5 -1.458 3.983 -2.674
34 HD21 ASN 5 HD21 ASN 5 -2.675 6.472 -3.540
35 HD22 ASN 5 HD22 ASN 5 -3.785 6.053 -4.798
36 H VAL 6 HN VAL 6 -1.926 0.960 -1.007
37 HA VAL 6 HA VAL 6 -0.779 1.765 1.551
38 HB VAL 6 HB VAL 6 -1.018 -0.976 0.295
39 HG11 VAL 6 HG11 VAL 6 -0.339 -1.828 2.494
40 HG12 VAL 6 HG12 VAL 6 -0.075 -0.175 3.047
41 HG13 VAL 6 HG13 VAL 6 0.926 -0.843 1.759
42 HG21 VAL 6 HG21 VAL 6 -2.705 -1.370 2.037
43 HG22 VAL 6 HG22 VAL 6 -3.172 -0.061 0.948
44 HG23 VAL 6 HG23 VAL 6 -2.546 0.309 2.556
45 H CYS 7 HN CYS 7 1.069 2.790 1.241
46 HA CYS 7 HA CYS 7 3.028 1.789 -0.675
47 HB2 CYS 7 HB2 CYS 7 3.178 4.183 1.164
48 HB3 CYS 7 HB1 CYS 7 4.316 3.790 -0.116
49 H VAL 8 HN VAL 8 4.804 0.665 -0.130
50 HA VAL 8 HA VAL 8 5.479 0.480 2.724
51 HB VAL 8 HB VAL 8 5.983 -1.977 2.372
52 HG11 VAL 8 HG11 VAL 8 4.088 -1.222 3.685
53 HG12 VAL 8 HG12 VAL 8 3.660 -2.663 2.765
54 HG13 VAL 8 HG13 VAL 8 3.109 -1.078 2.226
55 HG21 VAL 8 HG21 VAL 8 5.930 -2.037 -0.055
56 HG22 VAL 8 HG22 VAL 8 4.233 -1.559 -0.050
57 HG23 VAL 8 HG23 VAL 8 4.709 -3.125 0.606
58 H TYR 9 HN TYR 9 7.623 0.033 3.180
59 HA TYR 9 HA TYR 9 9.428 0.710 0.991
60 HB2 TYR 9 HB2 TYR 9 9.766 0.789 3.989
61 HB3 TYR 9 HB1 TYR 9 11.054 1.140 2.850
62 HD1 TYR 9 HD1 TYR 9 11.229 3.263 1.816
63 HD2 TYR 9 HD2 TYR 9 7.738 2.266 4.035
64 HE1 TYR 9 HE1 TYR 9 10.501 5.605 1.715
65 HE2 TYR 9 HE2 TYR 9 6.999 4.609 3.935
66 HH TYR 9 HH TYR 9 8.318 6.864 1.846
67 H ARG 10 HN ARG 10 10.079 -1.025 -0.032
68 HA ARG 10 HA ARG 10 11.028 -3.326 1.545
69 HB2 ARG 10 HB2 ARG 10 10.077 -3.174 -1.324
70 HB3 ARG 10 HB1 ARG 10 10.796 -4.603 -0.596
71 HG2 ARG 10 HG2 ARG 10 8.973 -4.724 1.004
72 HG3 ARG 10 HG1 ARG 10 8.256 -3.268 0.313
73 HD2 ARG 10 HD2 ARG 10 7.848 -4.373 -1.763
74 HD3 ARG 10 HD1 ARG 10 8.780 -5.781 -1.257
75 HE ARG 10 HE ARG 10 6.626 -5.294 0.524
76 HH11 ARG 10 HH11 ARG 10 7.336 -6.557 -2.664
77 HH12 ARG 10 HH12 ARG 10 6.000 -7.663 -2.660
78 HH21 ARG 10 HH21 ARG 10 4.866 -6.736 0.537
79 HH22 ARG 10 HH22 ARG 10 4.588 -7.762 -0.835
80 H ASN 11 HN ASN 11 13.142 -3.663 1.561
81 HA ASN 11 HA ASN 11 15.347 -3.209 1.324
82 HB2 ASN 11 HB2 ASN 11 16.293 -3.755 -0.856
83 HB3 ASN 11 HB1 ASN 11 15.041 -4.891 -0.401
84 HD21 ASN 11 HD21 ASN 11 15.922 -2.312 -2.562
85 HD22 ASN 11 HD22 ASN 11 14.667 -2.598 -3.721
86 H GLY 12 HN GLY 12 13.747 -0.819 1.387
87 HA2 GLY 12 HA2 GLY 12 14.689 1.344 1.550
88 HA3 GLY 12 HA1 GLY 12 15.800 0.932 0.255
89 H VAL 13 HN VAL 13 13.137 -0.186 -1.102
90 HA VAL 13 HA VAL 13 12.614 2.420 -2.347
91 HB VAL 13 HB VAL 13 13.308 0.608 -3.860
92 HG11 VAL 13 HG11 VAL 13 12.291 -1.300 -2.758
93 HG12 VAL 13 HG12 VAL 13 11.752 -1.192 -4.434
94 HG13 VAL 13 HG13 VAL 13 10.685 -0.674 -3.130
95 HG21 VAL 13 HG21 VAL 13 11.577 0.960 -5.556
96 HG22 VAL 13 HG22 VAL 13 12.001 2.454 -4.723
97 HG23 VAL 13 HG23 VAL 13 10.508 1.611 -4.316
98 H ARG 14 HN ARG 14 10.684 3.350 -2.446
99 HA ARG 14 HA ARG 14 8.611 2.298 -0.682
100 HB2 ARG 14 HB2 ARG 14 9.215 4.581 -0.257
101 HB3 ARG 14 HB1 ARG 14 9.036 5.003 -1.954
102 HG2 ARG 14 HG2 ARG 14 6.633 4.631 -1.809
103 HG3 ARG 14 HG1 ARG 14 6.802 4.172 -0.113
104 HD2 ARG 14 HD2 ARG 14 7.522 6.368 0.481
105 HD3 ARG 14 HD1 ARG 14 7.646 6.844 -1.212
106 HE ARG 14 HE ARG 14 5.167 6.557 -1.286
107 HH11 ARG 14 HH11 ARG 14 6.783 7.226 1.755
108 HH12 ARG 14 HH12 ARG 14 5.402 8.010 2.452
109 HH21 ARG 14 HH21 ARG 14 3.353 7.601 -0.355
110 HH22 ARG 14 HH22 ARG 14 3.465 8.229 1.259
111 H VAL 15 HN VAL 15 7.381 0.859 -1.724
112 HA VAL 15 HA VAL 15 6.431 1.533 -4.420
113 HB VAL 15 HB VAL 15 7.546 -0.647 -4.167
114 HG11 VAL 15 HG11 VAL 15 6.445 -2.477 -2.973
115 HG12 VAL 15 HG12 VAL 15 5.265 -1.330 -2.336
116 HG13 VAL 15 HG13 VAL 15 6.967 -1.183 -1.891
117 HG21 VAL 15 HG21 VAL 15 4.611 -0.822 -4.809
118 HG22 VAL 15 HG22 VAL 15 5.830 -2.005 -5.282
119 HG23 VAL 15 HG23 VAL 15 5.902 -0.363 -5.921
120 H CYS 16 HN CYS 16 4.316 1.898 -4.810
121 HA CYS 16 HA CYS 16 2.495 1.677 -2.514
122 HB2 CYS 16 HB2 CYS 16 2.423 3.687 -4.769
123 HB3 CYS 16 HB1 CYS 16 1.260 3.584 -3.456
124 H HIS 17 HN HIS 17 0.676 0.572 -2.760
125 HA HIS 17 HA HIS 17 -0.287 -0.105 -5.428
126 HB2 HIS 17 HB2 HIS 17 -0.525 -2.503 -4.797
127 HB3 HIS 17 HB1 HIS 17 1.141 -1.990 -4.961
128 HD1 HIS 17 HD1 HIS 17 -1.372 -3.133 -2.433
129 HD2 HIS 17 HD2 HIS 17 2.653 -2.084 -2.585
130 HE1 HIS 17 HE1 HIS 17 -0.403 -3.834 -0.220
131 HE2 HIS 17 HE2 HIS 17 2.056 -3.327 -0.392
132 H ARG 18 HN ARG 18 -2.412 -1.047 -5.379
133 HA ARG 18 HA ARG 18 -4.053 0.147 -3.328
134 HB2 ARG 18 HB2 ARG 18 -5.929 -0.489 -4.610
135 HB3 ARG 18 HB1 ARG 18 -4.701 -0.071 -5.794
136 HG2 ARG 18 HG2 ARG 18 -4.297 -2.347 -6.308
137 HG3 ARG 18 HG1 ARG 18 -5.242 -2.895 -4.921
138 HD2 ARG 18 HD2 ARG 18 -7.255 -1.880 -5.949
139 HD3 ARG 18 HD1 ARG 18 -6.289 -1.470 -7.365
140 HE ARG 18 HE ARG 18 -5.892 -4.106 -7.199
141 HH11 ARG 18 HH11 ARG 18 -8.811 -2.194 -7.041
142 HH12 ARG 18 HH12 ARG 18 -9.825 -3.441 -7.692
143 HH21 ARG 18 HH21 ARG 18 -7.231 -5.764 -8.080
144 HH22 ARG 18 HH22 ARG 18 -8.927 -5.470 -8.271
145 H ARG 19 HN ARG 19 -5.377 -0.988 -1.864
146 HA ARG 19 HA ARG 19 -4.402 -3.684 -1.251
147 HB2 ARG 19 HB2 ARG 19 -4.444 -1.929 0.546
148 HB3 ARG 19 HB1 ARG 19 -6.199 -1.925 0.426
149 HG2 ARG 19 HG2 ARG 19 -6.233 -4.300 1.042
150 HG3 ARG 19 HG1 ARG 19 -4.479 -4.267 1.210
151 HD2 ARG 19 HD2 ARG 19 -4.670 -2.605 2.983
152 HD3 ARG 19 HD1 ARG 19 -6.425 -2.598 2.797
153 HE ARG 19 HE ARG 19 -5.143 -5.146 3.427
154 HH11 ARG 19 HH11 ARG 19 -6.966 -2.377 4.548
155 HH12 ARG 19 HH12 ARG 19 -7.547 -3.181 5.970
156 HH21 ARG 19 HH21 ARG 19 -5.914 -6.206 5.293
157 HH22 ARG 19 HH22 ARG 19 -6.951 -5.357 6.394
158 H ALA 20 HN ALA 20 -5.883 -5.386 -0.795
159 HA ALA 20 HA ALA 20 -7.645 -6.738 -1.191
160 HB1 ALA 20 HB1 ALA 20 -9.261 -4.194 -1.315
161 HB2 ALA 20 HB2 ALA 20 -8.882 -5.098 0.150
162 HB3 ALA 20 HB3 ALA 20 -9.890 -5.826 -1.099
163 H ASN 21 HN ASN 21 -6.307 -6.898 -3.263
164 HA ASN 21 HA ASN 21 -7.589 -5.830 -5.618
165 HB2 ASN 21 HB2 ASN 21 -5.854 -6.872 -6.891
166 HB3 ASN 21 HB1 ASN 21 -5.099 -6.187 -5.462
167 HD21 ASN 21 HD21 ASN 21 -5.879 -9.069 -7.184
168 HD22 ASN 21 HD22 ASN 21 -4.990 -10.162 -6.185
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -15.665 3.448 -3.623
2 H2 GLY 1 HT2 GLY 1 -14.069 3.986 -3.514
3 H3 GLY 1 HT3 GLY 1 -15.174 4.371 -2.297
4 HA2 GLY 1 HA1 GLY 1 -15.379 2.036 -1.706
5 HA3 GLY 1 HA2 GLY 1 -14.198 1.650 -2.950
6 H PHE 2 HN PHE 2 -13.067 0.682 -1.050
7 HA PHE 2 HA PHE 2 -11.709 2.699 0.596
8 HB2 PHE 2 HB2 PHE 2 -11.774 -0.312 0.900
9 HB3 PHE 2 HB1 PHE 2 -10.998 0.815 2.006
10 HD1 PHE 2 HD1 PHE 2 -12.528 2.602 3.083
11 HD2 PHE 2 HD2 PHE 2 -13.966 -0.964 1.259
12 HE1 PHE 2 HE1 PHE 2 -14.627 2.803 4.350
13 HE2 PHE 2 HE2 PHE 2 -16.067 -0.768 2.520
14 HZ PHE 2 HZ PHE 2 -16.407 1.117 4.058
15 H ALA 3 HN ALA 3 -10.880 2.732 -1.998
16 HA ALA 3 HA ALA 3 -8.628 0.959 -2.334
17 HB1 ALA 3 HB1 ALA 3 -9.895 1.622 -4.297
18 HB2 ALA 3 HB2 ALA 3 -8.228 2.194 -4.418
19 HB3 ALA 3 HB3 ALA 3 -9.518 3.318 -3.990
20 H TRP 4 HN TRP 4 -7.414 1.509 -0.476
21 HA TRP 4 HA TRP 4 -6.015 4.061 -0.717
22 HB2 TRP 4 HB2 TRP 4 -4.955 3.008 1.523
23 HB3 TRP 4 HB1 TRP 4 -6.379 4.036 1.508
24 HD1 TRP 4 HD1 TRP 4 -5.688 0.202 1.317
25 HE1 TRP 4 HE1 TRP 4 -7.467 -0.971 2.752
26 HE3 TRP 4 HE3 TRP 4 -8.371 4.288 2.715
27 HZ2 TRP 4 HZ2 TRP 4 -9.724 -0.245 4.290
28 HZ3 TRP 4 HZ3 TRP 4 -10.331 3.978 4.174
29 HH2 TRP 4 HH2 TRP 4 -10.994 1.756 4.942
30 H ASN 5 HN ASN 5 -3.980 4.155 -1.379
31 HA ASN 5 HA ASN 5 -2.711 1.772 -2.340
32 HB2 ASN 5 HB2 ASN 5 -0.843 3.392 -2.947
33 HB3 ASN 5 HB1 ASN 5 -2.399 3.668 -3.714
34 HD21 ASN 5 HD21 ASN 5 -0.034 4.882 -1.515
35 HD22 ASN 5 HD22 ASN 5 -0.742 6.442 -1.291
36 H VAL 6 HN VAL 6 -2.024 0.444 -0.830
37 HA VAL 6 HA VAL 6 -0.832 1.275 1.621
38 HB VAL 6 HB VAL 6 -0.889 -1.460 0.326
39 HG11 VAL 6 HG11 VAL 6 -0.344 -2.324 2.538
40 HG12 VAL 6 HG12 VAL 6 -0.243 -0.681 3.167
41 HG13 VAL 6 HG13 VAL 6 0.918 -1.236 1.963
42 HG21 VAL 6 HG21 VAL 6 -3.119 -0.582 0.810
43 HG22 VAL 6 HG22 VAL 6 -2.641 -0.272 2.478
44 HG23 VAL 6 HG23 VAL 6 -2.717 -1.928 1.877
45 H CYS 7 HN CYS 7 0.986 2.364 1.411
46 HA CYS 7 HA CYS 7 3.078 1.413 -0.379
47 HB2 CYS 7 HB2 CYS 7 3.023 3.877 1.363
48 HB3 CYS 7 HB1 CYS 7 4.202 3.513 0.112
49 H VAL 8 HN VAL 8 4.874 0.436 0.264
50 HA VAL 8 HA VAL 8 5.564 0.478 3.118
51 HB VAL 8 HB VAL 8 6.281 -1.944 2.908
52 HG11 VAL 8 HG11 VAL 8 4.317 -1.301 4.175
53 HG12 VAL 8 HG12 VAL 8 4.035 -2.827 3.339
54 HG13 VAL 8 HG13 VAL 8 3.334 -1.335 2.710
55 HG21 VAL 8 HG21 VAL 8 4.522 -1.823 0.460
56 HG22 VAL 8 HG22 VAL 8 5.114 -3.304 1.214
57 HG23 VAL 8 HG23 VAL 8 6.253 -2.163 0.499
58 H TYR 9 HN TYR 9 7.787 0.192 3.536
59 HA TYR 9 HA TYR 9 9.446 1.038 1.315
60 HB2 TYR 9 HB2 TYR 9 9.982 0.782 4.274
61 HB3 TYR 9 HB1 TYR 9 11.195 1.283 3.103
62 HD1 TYR 9 HD1 TYR 9 10.841 3.403 1.805
63 HD2 TYR 9 HD2 TYR 9 8.361 2.297 5.078
64 HE1 TYR 9 HE1 TYR 9 10.071 5.729 1.998
65 HE2 TYR 9 HE2 TYR 9 7.580 4.621 5.279
66 HH TYR 9 HH TYR 9 8.092 6.947 2.893
67 H ARG 10 HN ARG 10 10.282 -0.424 0.053
68 HA ARG 10 HA ARG 10 11.173 -2.983 1.208
69 HB2 ARG 10 HB2 ARG 10 8.951 -3.134 0.027
70 HB3 ARG 10 HB1 ARG 10 9.785 -2.674 -1.450
71 HG2 ARG 10 HG2 ARG 10 11.187 -4.661 -1.282
72 HG3 ARG 10 HG1 ARG 10 10.356 -5.119 0.206
73 HD2 ARG 10 HD2 ARG 10 9.049 -4.769 -2.478
74 HD3 ARG 10 HD1 ARG 10 9.508 -6.313 -1.768
75 HE ARG 10 HE ARG 10 7.921 -5.265 0.129
76 HH11 ARG 10 HH11 ARG 10 7.495 -5.621 -3.327
77 HH12 ARG 10 HH12 ARG 10 5.777 -5.823 -3.221
78 HH21 ARG 10 HH21 ARG 10 5.653 -5.511 0.270
79 HH22 ARG 10 HH22 ARG 10 4.726 -5.761 -1.178
80 H ASN 11 HN ASN 11 13.218 -3.437 0.704
81 HA ASN 11 HA ASN 11 15.311 -3.261 -0.147
82 HB2 ASN 11 HB2 ASN 11 13.838 -2.627 -2.716
83 HB3 ASN 11 HB1 ASN 11 15.552 -3.010 -2.605
84 HD21 ASN 11 HD21 ASN 11 12.366 -4.236 -2.720
85 HD22 ASN 11 HD22 ASN 11 12.773 -5.917 -2.658
86 H GLY 12 HN GLY 12 14.001 -0.898 0.994
87 HA2 GLY 12 HA2 GLY 12 14.985 1.135 1.566
88 HA3 GLY 12 HA1 GLY 12 16.034 1.000 0.167
89 H VAL 13 HN VAL 13 12.979 0.407 -0.955
90 HA VAL 13 HA VAL 13 12.566 3.263 -1.545
91 HB VAL 13 HB VAL 13 13.529 1.948 -3.454
92 HG11 VAL 13 HG11 VAL 13 10.825 0.633 -3.462
93 HG12 VAL 13 HG12 VAL 13 12.375 -0.149 -3.142
94 HG13 VAL 13 HG13 VAL 13 12.030 0.505 -4.744
95 HG21 VAL 13 HG21 VAL 13 12.385 4.042 -3.838
96 HG22 VAL 13 HG22 VAL 13 10.830 3.211 -3.883
97 HG23 VAL 13 HG23 VAL 13 12.030 2.908 -5.140
98 H ARG 14 HN ARG 14 10.443 3.945 -1.883
99 HA ARG 14 HA ARG 14 8.477 2.508 -0.339
100 HB2 ARG 14 HB2 ARG 14 8.658 4.907 -0.081
101 HB3 ARG 14 HB1 ARG 14 8.407 5.153 -1.802
102 HG2 ARG 14 HG2 ARG 14 6.122 4.316 -1.589
103 HG3 ARG 14 HG1 ARG 14 6.378 4.068 0.142
104 HD2 ARG 14 HD2 ARG 14 6.752 6.433 0.462
105 HD3 ARG 14 HD1 ARG 14 6.635 6.720 -1.269
106 HE ARG 14 HE ARG 14 4.246 5.612 -0.692
107 HH11 ARG 14 HH11 ARG 14 6.050 8.271 0.695
108 HH12 ARG 14 HH12 ARG 14 4.637 9.125 1.221
109 HH21 ARG 14 HH21 ARG 14 2.373 6.743 0.006
110 HH22 ARG 14 HH22 ARG 14 2.546 8.251 0.841
111 H VAL 15 HN VAL 15 7.277 0.958 -1.212
112 HA VAL 15 HA VAL 15 6.431 1.268 -4.020
113 HB VAL 15 HB VAL 15 7.787 -0.736 -3.660
114 HG11 VAL 15 HG11 VAL 15 7.335 -1.166 -1.330
115 HG12 VAL 15 HG12 VAL 15 6.976 -2.598 -2.296
116 HG13 VAL 15 HG13 VAL 15 5.663 -1.576 -1.709
117 HG21 VAL 15 HG21 VAL 15 6.256 -2.387 -4.625
118 HG22 VAL 15 HG22 VAL 15 6.055 -0.799 -5.364
119 HG23 VAL 15 HG23 VAL 15 4.887 -1.371 -4.174
120 H CYS 16 HN CYS 16 4.302 1.366 -4.467
121 HA CYS 16 HA CYS 16 2.466 1.093 -2.183
122 HB2 CYS 16 HB2 CYS 16 2.233 2.992 -4.526
123 HB3 CYS 16 HB1 CYS 16 1.121 2.882 -3.168
124 H HIS 17 HN HIS 17 0.575 0.002 -2.481
125 HA HIS 17 HA HIS 17 -0.191 -0.805 -5.172
126 HB2 HIS 17 HB2 HIS 17 -0.596 -3.175 -4.308
127 HB3 HIS 17 HB1 HIS 17 1.059 -2.723 -4.665
128 HD1 HIS 17 HD1 HIS 17 -1.219 -3.620 -1.843
129 HD2 HIS 17 HD2 HIS 17 2.771 -2.629 -2.438
130 HE1 HIS 17 HE1 HIS 17 -0.059 -4.192 0.305
131 HE2 HIS 17 HE2 HIS 17 2.382 -3.810 -0.167
132 H ARG 18 HN ARG 18 -2.337 -1.528 -5.331
133 HA ARG 18 HA ARG 18 -4.026 -0.024 -3.529
134 HB2 ARG 18 HB2 ARG 18 -4.736 -1.649 -5.980
135 HB3 ARG 18 HB1 ARG 18 -5.831 -0.582 -5.114
136 HG2 ARG 18 HG2 ARG 18 -4.384 1.324 -5.660
137 HG3 ARG 18 HG1 ARG 18 -3.323 0.243 -6.564
138 HD2 ARG 18 HD2 ARG 18 -6.229 0.787 -7.159
139 HD3 ARG 18 HD1 ARG 18 -4.854 1.439 -8.042
140 HE ARG 18 HE ARG 18 -4.913 -1.436 -7.938
141 HH11 ARG 18 HH11 ARG 18 -5.919 1.418 -9.693
142 HH12 ARG 18 HH12 ARG 18 -6.265 0.555 -11.157
143 HH21 ARG 18 HH21 ARG 18 -5.334 -2.575 -9.865
144 HH22 ARG 18 HH22 ARG 18 -5.918 -1.722 -11.259
145 H ARG 19 HN ARG 19 -5.196 -0.814 -1.904
146 HA ARG 19 HA ARG 19 -5.134 -3.696 -1.462
147 HB2 ARG 19 HB2 ARG 19 -4.445 -2.113 0.343
148 HB3 ARG 19 HB1 ARG 19 -6.097 -1.516 0.391
149 HG2 ARG 19 HG2 ARG 19 -5.765 -3.083 2.174
150 HG3 ARG 19 HG1 ARG 19 -6.862 -3.787 0.988
151 HD2 ARG 19 HD2 ARG 19 -5.008 -5.065 0.036
152 HD3 ARG 19 HD1 ARG 19 -3.909 -4.356 1.214
153 HE ARG 19 HE ARG 19 -6.058 -5.603 2.555
154 HH11 ARG 19 HH11 ARG 19 -3.193 -6.371 0.695
155 HH12 ARG 19 HH12 ARG 19 -2.930 -7.898 1.469
156 HH21 ARG 19 HH21 ARG 19 -5.698 -7.622 3.599
157 HH22 ARG 19 HH22 ARG 19 -4.369 -8.621 3.110
158 H ALA 20 HN ALA 20 -6.825 -4.964 -1.769
159 HA ALA 20 HA ALA 20 -9.453 -3.712 -2.189
160 HB1 ALA 20 HB1 ALA 20 -8.419 -6.320 -3.295
161 HB2 ALA 20 HB2 ALA 20 -8.554 -4.805 -4.188
162 HB3 ALA 20 HB3 ALA 20 -10.008 -5.621 -3.607
163 H ASN 21 HN ASN 21 -7.852 -5.080 0.151
164 HA ASN 21 HA ASN 21 -10.218 -6.448 1.222
165 HB2 ASN 21 HB2 ASN 21 -8.555 -8.162 0.627
166 HB3 ASN 21 HB1 ASN 21 -7.351 -7.338 1.614
167 HD21 ASN 21 HD21 ASN 21 -7.588 -7.349 3.883
168 HD22 ASN 21 HD22 ASN 21 -8.556 -8.542 4.675
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -14.876 1.269 -3.250
2 H2 GLY 1 HT2 GLY 1 -15.909 0.793 -2.000
3 H3 GLY 1 HT3 GLY 1 -15.926 -0.036 -3.470
4 HA2 GLY 1 HA1 GLY 1 -14.752 -1.307 -1.795
5 HA3 GLY 1 HA2 GLY 1 -13.689 -0.827 -3.110
6 H PHE 2 HN PHE 2 -12.411 -1.517 -0.958
7 HA PHE 2 HA PHE 2 -11.644 1.012 0.337
8 HB2 PHE 2 HB2 PHE 2 -10.780 -0.594 2.196
9 HB3 PHE 2 HB1 PHE 2 -12.496 -0.206 2.132
10 HD1 PHE 2 HD1 PHE 2 -14.127 -1.866 1.567
11 HD2 PHE 2 HD2 PHE 2 -9.976 -2.805 1.537
12 HE1 PHE 2 HE1 PHE 2 -14.673 -4.260 1.462
13 HE2 PHE 2 HE2 PHE 2 -10.516 -5.202 1.431
14 HZ PHE 2 HZ PHE 2 -12.867 -5.930 1.392
15 H ALA 3 HN ALA 3 -10.559 0.400 -2.043
16 HA ALA 3 HA ALA 3 -8.084 -1.029 -1.738
17 HB1 ALA 3 HB1 ALA 3 -7.602 -0.304 -3.999
18 HB2 ALA 3 HB2 ALA 3 -8.946 0.834 -3.950
19 HB3 ALA 3 HB3 ALA 3 -9.257 -0.901 -3.906
20 H TRP 4 HN TRP 4 -7.019 -0.031 -0.040
21 HA TRP 4 HA TRP 4 -6.703 2.779 0.188
22 HB2 TRP 4 HB2 TRP 4 -4.673 0.953 1.376
23 HB3 TRP 4 HB1 TRP 4 -5.432 2.369 2.068
24 HD1 TRP 4 HD1 TRP 4 -5.724 -1.383 1.896
25 HE1 TRP 4 HE1 TRP 4 -7.608 -2.161 3.453
26 HE3 TRP 4 HE3 TRP 4 -7.763 3.150 2.918
27 HZ2 TRP 4 HZ2 TRP 4 -9.729 -0.970 4.923
28 HZ3 TRP 4 HZ3 TRP 4 -9.729 3.267 4.403
29 HH2 TRP 4 HH2 TRP 4 -10.691 1.247 5.384
30 H ASN 5 HN ASN 5 -5.352 4.085 -0.900
31 HA ASN 5 HA ASN 5 -3.220 2.980 -2.485
32 HB2 ASN 5 HB2 ASN 5 -2.665 5.333 -3.022
33 HB3 ASN 5 HB1 ASN 5 -4.361 4.982 -3.303
34 HD21 ASN 5 HD21 ASN 5 -2.096 6.880 -1.585
35 HD22 ASN 5 HD22 ASN 5 -3.228 7.853 -0.712
36 H VAL 6 HN VAL 6 -1.663 2.051 -1.346
37 HA VAL 6 HA VAL 6 -0.617 3.490 0.983
38 HB VAL 6 HB VAL 6 -1.941 1.726 1.884
39 HG11 VAL 6 HG11 VAL 6 -0.487 -0.194 0.082
40 HG12 VAL 6 HG12 VAL 6 -2.154 0.347 -0.113
41 HG13 VAL 6 HG13 VAL 6 -1.700 -0.613 1.294
42 HG21 VAL 6 HG21 VAL 6 -0.278 0.344 3.048
43 HG22 VAL 6 HG22 VAL 6 0.173 2.050 3.009
44 HG23 VAL 6 HG23 VAL 6 0.956 0.905 1.919
45 H CYS 7 HN CYS 7 1.392 3.952 0.824
46 HA CYS 7 HA CYS 7 3.135 2.507 -1.016
47 HB2 CYS 7 HB2 CYS 7 3.799 4.997 0.551
48 HB3 CYS 7 HB1 CYS 7 4.613 4.376 -0.880
49 H VAL 8 HN VAL 8 4.625 1.116 -0.330
50 HA VAL 8 HA VAL 8 5.202 1.087 2.563
51 HB VAL 8 HB VAL 8 5.475 -1.363 2.424
52 HG11 VAL 8 HG11 VAL 8 3.382 -0.449 3.219
53 HG12 VAL 8 HG12 VAL 8 3.090 -1.925 2.297
54 HG13 VAL 8 HG13 VAL 8 2.771 -0.351 1.567
55 HG21 VAL 8 HG21 VAL 8 5.977 -1.544 0.040
56 HG22 VAL 8 HG22 VAL 8 4.322 -1.074 -0.346
57 HG23 VAL 8 HG23 VAL 8 4.634 -2.591 0.492
58 H TYR 9 HN TYR 9 7.252 0.129 3.124
59 HA TYR 9 HA TYR 9 9.278 0.730 1.105
60 HB2 TYR 9 HB2 TYR 9 9.440 0.532 4.115
61 HB3 TYR 9 HB1 TYR 9 10.829 0.787 3.067
62 HD1 TYR 9 HD1 TYR 9 11.158 2.913 1.927
63 HD2 TYR 9 HD2 TYR 9 7.811 2.284 4.473
64 HE1 TYR 9 HE1 TYR 9 10.761 5.337 1.990
65 HE2 TYR 9 HE2 TYR 9 7.401 4.705 4.539
66 HH TYR 9 HH TYR 9 8.942 6.897 2.425
67 H ARG 10 HN ARG 10 9.726 -1.000 -0.028
68 HA ARG 10 HA ARG 10 9.898 -3.603 1.334
69 HB2 ARG 10 HB2 ARG 10 8.172 -3.448 -0.422
70 HB3 ARG 10 HB1 ARG 10 9.407 -2.986 -1.585
71 HG2 ARG 10 HG2 ARG 10 10.502 -5.165 -1.242
72 HG3 ARG 10 HG1 ARG 10 9.195 -5.625 -0.149
73 HD2 ARG 10 HD2 ARG 10 8.784 -6.533 -2.350
74 HD3 ARG 10 HD1 ARG 10 7.586 -5.294 -1.976
75 HE ARG 10 HE ARG 10 9.940 -4.529 -3.541
76 HH11 ARG 10 HH11 ARG 10 6.492 -5.132 -3.392
77 HH12 ARG 10 HH12 ARG 10 6.176 -4.447 -4.954
78 HH21 ARG 10 HH21 ARG 10 9.521 -3.596 -5.587
79 HH22 ARG 10 HH22 ARG 10 7.900 -3.570 -6.201
80 H ASN 11 HN ASN 11 11.978 -3.794 1.901
81 HA ASN 11 HA ASN 11 14.204 -4.211 1.698
82 HB2 ASN 11 HB2 ASN 11 13.681 -4.388 -1.280
83 HB3 ASN 11 HB1 ASN 11 15.071 -5.036 -0.424
84 HD21 ASN 11 HD21 ASN 11 13.392 -5.985 1.814
85 HD22 ASN 11 HD22 ASN 11 12.591 -7.394 1.217
86 H GLY 12 HN GLY 12 13.139 -1.457 1.496
87 HA2 GLY 12 HA2 GLY 12 14.673 0.398 1.695
88 HA3 GLY 12 HA1 GLY 12 15.582 -0.270 0.353
89 H VAL 13 HN VAL 13 12.867 -0.766 -1.038
90 HA VAL 13 HA VAL 13 12.785 1.940 -2.161
91 HB VAL 13 HB VAL 13 13.266 0.130 -3.746
92 HG11 VAL 13 HG11 VAL 13 12.016 -1.681 -2.725
93 HG12 VAL 13 HG12 VAL 13 11.528 -1.461 -4.404
94 HG13 VAL 13 HG13 VAL 13 10.500 -0.865 -3.102
95 HG21 VAL 13 HG21 VAL 13 10.613 1.472 -4.207
96 HG22 VAL 13 HG22 VAL 13 11.610 0.727 -5.457
97 HG23 VAL 13 HG23 VAL 13 12.205 2.136 -4.578
98 H ARG 14 HN ARG 14 10.974 3.126 -2.321
99 HA ARG 14 HA ARG 14 8.695 2.290 -0.702
100 HB2 ARG 14 HB2 ARG 14 9.580 4.492 -0.222
101 HB3 ARG 14 HB1 ARG 14 9.451 4.956 -1.912
102 HG2 ARG 14 HG2 ARG 14 7.047 4.899 -1.794
103 HG3 ARG 14 HG1 ARG 14 7.111 4.286 -0.142
104 HD2 ARG 14 HD2 ARG 14 8.074 6.331 0.648
105 HD3 ARG 14 HD1 ARG 14 8.267 6.934 -0.996
106 HE ARG 14 HE ARG 14 5.810 7.004 -1.122
107 HH11 ARG 14 HH11 ARG 14 7.315 6.957 2.053
108 HH12 ARG 14 HH12 ARG 14 5.979 7.749 2.825
109 HH21 ARG 14 HH21 ARG 14 4.063 8.058 -0.094
110 HH22 ARG 14 HH22 ARG 14 4.142 8.378 1.610
111 H VAL 15 HN VAL 15 7.046 1.333 -1.655
112 HA VAL 15 HA VAL 15 6.453 2.023 -4.457
113 HB VAL 15 HB VAL 15 7.435 -0.203 -4.319
114 HG11 VAL 15 HG11 VAL 15 6.860 -0.822 -2.066
115 HG12 VAL 15 HG12 VAL 15 6.276 -2.048 -3.193
116 HG13 VAL 15 HG13 VAL 15 5.150 -0.885 -2.491
117 HG21 VAL 15 HG21 VAL 15 5.785 0.201 -6.048
118 HG22 VAL 15 HG22 VAL 15 4.491 -0.272 -4.946
119 HG23 VAL 15 HG23 VAL 15 5.677 -1.464 -5.476
120 H CYS 16 HN CYS 16 4.472 2.764 -4.828
121 HA CYS 16 HA CYS 16 2.476 2.549 -2.702
122 HB2 CYS 16 HB2 CYS 16 2.447 4.264 -5.184
123 HB3 CYS 16 HB1 CYS 16 1.316 4.358 -3.841
124 H HIS 17 HN HIS 17 0.703 1.360 -2.884
125 HA HIS 17 HA HIS 17 -0.230 0.500 -5.500
126 HB2 HIS 17 HB2 HIS 17 -0.418 -1.888 -4.653
127 HB3 HIS 17 HB1 HIS 17 1.193 -1.340 -5.071
128 HD1 HIS 17 HD1 HIS 17 -0.955 -1.726 -1.957
129 HD2 HIS 17 HD2 HIS 17 3.026 -1.852 -3.129
130 HE1 HIS 17 HE1 HIS 17 0.330 -2.323 0.114
131 HE2 HIS 17 HE2 HIS 17 2.690 -2.692 -0.707
132 H ARG 18 HN ARG 18 -2.329 -0.547 -5.390
133 HA ARG 18 HA ARG 18 -3.938 0.704 -3.291
134 HB2 ARG 18 HB2 ARG 18 -4.673 -0.486 -5.965
135 HB3 ARG 18 HB1 ARG 18 -5.858 0.093 -4.805
136 HG2 ARG 18 HG2 ARG 18 -4.873 2.330 -4.918
137 HG3 ARG 18 HG1 ARG 18 -3.706 1.745 -6.107
138 HD2 ARG 18 HD2 ARG 18 -5.492 1.227 -7.653
139 HD3 ARG 18 HD1 ARG 18 -6.699 1.673 -6.450
140 HE ARG 18 HE ARG 18 -4.990 3.859 -6.887
141 HH11 ARG 18 HH11 ARG 18 -7.457 2.015 -8.534
142 HH12 ARG 18 HH12 ARG 18 -8.016 3.353 -9.484
143 HH21 ARG 18 HH21 ARG 18 -5.712 5.638 -8.146
144 HH22 ARG 18 HH22 ARG 18 -7.009 5.415 -9.275
145 H ARG 19 HN ARG 19 -3.838 -0.601 -1.561
146 HA ARG 19 HA ARG 19 -3.950 -3.472 -1.795
147 HB2 ARG 19 HB2 ARG 19 -2.555 -2.369 -0.102
148 HB3 ARG 19 HB1 ARG 19 -3.992 -1.691 0.646
149 HG2 ARG 19 HG2 ARG 19 -3.855 -3.466 1.993
150 HG3 ARG 19 HG1 ARG 19 -4.590 -4.337 0.649
151 HD2 ARG 19 HD2 ARG 19 -1.622 -4.069 1.101
152 HD3 ARG 19 HD1 ARG 19 -2.586 -5.452 1.605
153 HE ARG 19 HE ARG 19 -2.948 -4.999 -1.157
154 HH11 ARG 19 HH11 ARG 19 -0.549 -6.131 1.113
155 HH12 ARG 19 HH12 ARG 19 0.205 -7.209 -0.015
156 HH21 ARG 19 HH21 ARG 19 -1.961 -6.419 -2.661
157 HH22 ARG 19 HH22 ARG 19 -0.603 -7.379 -2.164
158 H ALA 20 HN ALA 20 -5.699 -4.701 -1.684
159 HA ALA 20 HA ALA 20 -8.257 -3.414 -1.028
160 HB1 ALA 20 HB1 ALA 20 -9.313 -5.200 -2.299
161 HB2 ALA 20 HB2 ALA 20 -7.746 -5.969 -2.549
162 HB3 ALA 20 HB3 ALA 20 -8.080 -4.394 -3.270
163 H ASN 21 HN ASN 21 -6.628 -4.119 1.106
164 HA ASN 21 HA ASN 21 -7.961 -6.508 2.187
165 HB2 ASN 21 HB2 ASN 21 -5.269 -5.334 2.908
166 HB3 ASN 21 HB1 ASN 21 -6.045 -6.639 3.796
167 HD21 ASN 21 HD21 ASN 21 -7.135 -7.745 1.251
168 HD22 ASN 21 HD22 ASN 21 -5.799 -8.554 0.514