NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
618885 |
5y0i   |
36106 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -16.440 -1.949 0.328
2 H2 GLY 1 HT2 GLY 1 -16.170 -0.637 1.360
3 H3 GLY 1 HT3 GLY 1 -14.933 -1.762 1.075
4 HA2 GLY 1 HA1 GLY 1 -14.789 -1.100 -1.225
5 HA3 GLY 1 HA2 GLY 1 -16.113 0.029 -0.978
6 H PHE 2 HN PHE 2 -13.398 -0.639 1.197
7 HA PHE 2 HA PHE 2 -12.779 2.210 1.190
8 HB2 PHE 2 HB2 PHE 2 -11.648 0.021 2.940
9 HB3 PHE 2 HB1 PHE 2 -11.547 1.752 3.201
10 HD1 PHE 2 HD1 PHE 2 -13.832 2.992 3.435
11 HD2 PHE 2 HD2 PHE 2 -13.282 -1.185 4.032
12 HE1 PHE 2 HE1 PHE 2 -15.889 2.917 4.781
13 HE2 PHE 2 HE2 PHE 2 -15.339 -1.265 5.379
14 HZ PHE 2 HZ PHE 2 -16.640 0.753 5.760
15 H CYS 3 HN CYS 3 -11.176 2.923 -0.073
16 HA CYS 3 HA CYS 3 -9.028 1.041 -0.778
17 HB2 CYS 3 HB2 CYS 3 -9.951 3.514 -2.257
18 HB3 CYS 3 HB1 CYS 3 -8.609 2.480 -2.734
19 H TRP 4 HN TRP 4 -7.035 1.463 -0.091
20 HA TRP 4 HA TRP 4 -6.393 4.197 0.756
21 HB2 TRP 4 HB2 TRP 4 -5.275 3.377 2.760
22 HB3 TRP 4 HB1 TRP 4 -6.964 2.885 2.770
23 HD1 TRP 4 HD1 TRP 4 -3.445 1.491 2.754
24 HE1 TRP 4 HE1 TRP 4 -3.544 -1.063 3.038
25 HE3 TRP 4 HE3 TRP 4 -8.475 0.804 2.157
26 HZ2 TRP 4 HZ2 TRP 4 -5.495 -3.099 3.015
27 HZ3 TRP 4 HZ3 TRP 4 -9.373 -1.481 2.304
28 HH2 TRP 4 HH2 TRP 4 -7.914 -3.389 2.721
29 H ASN 5 HN ASN 5 -4.216 4.774 0.574
30 HA ASN 5 HA ASN 5 -2.638 2.941 -1.085
31 HB2 ASN 5 HB2 ASN 5 -1.353 4.918 -1.806
32 HB3 ASN 5 HB1 ASN 5 -3.066 5.093 -2.160
33 HD21 ASN 5 HD21 ASN 5 -4.290 6.582 -0.976
34 HD22 ASN 5 HD22 ASN 5 -3.547 7.849 -0.060
35 H VAL 6 HN VAL 6 -1.130 1.865 -0.088
36 HA VAL 6 HA VAL 6 0.146 3.091 2.266
37 HB VAL 6 HB VAL 6 -1.230 1.106 2.835
38 HG11 VAL 6 HG11 VAL 6 -0.453 -1.121 2.127
39 HG12 VAL 6 HG12 VAL 6 0.705 -0.343 1.047
40 HG13 VAL 6 HG13 VAL 6 -1.026 -0.138 0.779
41 HG21 VAL 6 HG21 VAL 6 1.741 0.697 3.167
42 HG22 VAL 6 HG22 VAL 6 0.481 -0.077 4.129
43 HG23 VAL 6 HG23 VAL 6 0.704 1.670 4.208
44 H CYS 7 HN CYS 7 2.327 3.026 2.406
45 HA CYS 7 HA CYS 7 3.756 2.058 0.028
46 HB2 CYS 7 HB2 CYS 7 4.716 4.248 1.857
47 HB3 CYS 7 HB1 CYS 7 5.320 3.838 0.259
48 H VAL 8 HN VAL 8 4.748 0.211 0.514
49 HA VAL 8 HA VAL 8 5.861 -0.130 3.217
50 HB VAL 8 HB VAL 8 5.876 -2.518 2.804
51 HG11 VAL 8 HG11 VAL 8 3.802 -1.568 3.644
52 HG12 VAL 8 HG12 VAL 8 3.473 -2.944 2.592
53 HG13 VAL 8 HG13 VAL 8 3.238 -1.302 1.995
54 HG21 VAL 8 HG21 VAL 8 4.972 -3.482 0.733
55 HG22 VAL 8 HG22 VAL 8 6.424 -2.525 0.441
56 HG23 VAL 8 HG23 VAL 8 4.838 -1.861 0.049
57 H TYR 9 HN TYR 9 7.921 -1.567 3.178
58 HA TYR 9 HA TYR 9 9.634 -0.670 0.959
59 HB2 TYR 9 HB2 TYR 9 10.319 -0.947 3.886
60 HB3 TYR 9 HB1 TYR 9 11.529 -0.753 2.623
61 HD1 TYR 9 HD1 TYR 9 11.293 1.337 1.113
62 HD2 TYR 9 HD2 TYR 9 9.379 0.934 4.885
63 HE1 TYR 9 HE1 TYR 9 11.059 3.781 1.247
64 HE2 TYR 9 HE2 TYR 9 9.137 3.377 5.032
65 HH TYR 9 HH TYR 9 10.149 5.382 4.126
66 H ARG 10 HN ARG 10 10.231 -2.288 -0.275
67 HA ARG 10 HA ARG 10 10.547 -4.952 0.950
68 HB2 ARG 10 HB2 ARG 10 8.546 -4.713 -0.550
69 HB3 ARG 10 HB1 ARG 10 9.644 -4.367 -1.876
70 HG2 ARG 10 HG2 ARG 10 8.961 -6.665 -1.988
71 HG3 ARG 10 HG1 ARG 10 10.671 -6.592 -1.558
72 HD2 ARG 10 HD2 ARG 10 10.125 -6.969 0.775
73 HD3 ARG 10 HD1 ARG 10 8.406 -6.956 0.395
74 HE ARG 10 HE ARG 10 9.494 -8.933 -1.177
75 HH11 ARG 10 HH11 ARG 10 9.292 -8.264 2.258
76 HH12 ARG 10 HH12 ARG 10 9.326 -9.937 2.711
77 HH21 ARG 10 HH21 ARG 10 9.532 -11.131 -0.587
78 HH22 ARG 10 HH22 ARG 10 9.442 -11.573 1.090
79 H ASN 11 HN ASN 11 12.658 -5.307 1.087
80 HA ASN 11 HA ASN 11 14.820 -5.677 0.515
81 HB2 ASN 11 HB2 ASN 11 13.709 -6.884 -1.406
82 HB3 ASN 11 HB1 ASN 11 13.956 -5.435 -2.370
83 HD21 ASN 11 HD21 ASN 11 15.313 -6.425 -3.831
84 HD22 ASN 11 HD22 ASN 11 16.913 -6.938 -3.423
85 H GLY 12 HN GLY 12 13.672 -2.908 0.738
86 HA2 GLY 12 HA2 GLY 12 15.069 -1.009 1.047
87 HA3 GLY 12 HA1 GLY 12 16.097 -1.585 -0.254
88 H VAL 13 HN VAL 13 13.104 -1.986 -1.475
89 HA VAL 13 HA VAL 13 13.131 0.713 -2.644
90 HB VAL 13 HB VAL 13 13.315 -1.353 -4.151
91 HG11 VAL 13 HG11 VAL 13 11.228 -2.423 -4.808
92 HG12 VAL 13 HG12 VAL 13 10.369 -1.518 -3.563
93 HG13 VAL 13 HG13 VAL 13 11.589 -2.705 -3.104
94 HG21 VAL 13 HG21 VAL 13 12.869 0.862 -5.028
95 HG22 VAL 13 HG22 VAL 13 11.150 0.676 -4.677
96 HG23 VAL 13 HG23 VAL 13 11.914 -0.341 -5.899
97 H ARG 14 HN ARG 14 11.228 1.922 -2.774
98 HA ARG 14 HA ARG 14 9.339 1.336 -0.654
99 HB2 ARG 14 HB2 ARG 14 10.358 3.627 -1.083
100 HB3 ARG 14 HB1 ARG 14 9.336 3.718 -2.508
101 HG2 ARG 14 HG2 ARG 14 7.349 3.540 -1.113
102 HG3 ARG 14 HG1 ARG 14 8.362 3.416 0.326
103 HD2 ARG 14 HD2 ARG 14 9.313 5.644 -0.226
104 HD3 ARG 14 HD1 ARG 14 8.170 5.760 -1.559
105 HE ARG 14 HE ARG 14 7.127 5.361 1.147
106 HH11 ARG 14 HH11 ARG 14 7.622 7.482 -1.595
107 HH12 ARG 14 HH12 ARG 14 6.435 8.636 -1.081
108 HH21 ARG 14 HH21 ARG 14 5.556 6.884 1.826
109 HH22 ARG 14 HH22 ARG 14 5.267 8.299 0.866
110 H VAL 15 HN VAL 15 7.771 -0.039 -1.138
111 HA VAL 15 HA VAL 15 6.581 0.020 -3.825
112 HB VAL 15 HB VAL 15 6.264 -2.048 -1.636
113 HG11 VAL 15 HG11 VAL 15 5.338 -2.024 -4.506
114 HG12 VAL 15 HG12 VAL 15 4.335 -2.078 -3.056
115 HG13 VAL 15 HG13 VAL 15 5.347 -3.456 -3.478
116 HG21 VAL 15 HG21 VAL 15 7.957 -2.076 -4.127
117 HG22 VAL 15 HG22 VAL 15 7.692 -3.461 -3.067
118 HG23 VAL 15 HG23 VAL 15 8.531 -2.032 -2.461
119 H CYS 16 HN CYS 16 5.107 1.636 -3.789
120 HA CYS 16 HA CYS 16 3.131 1.572 -1.612
121 HB2 CYS 16 HB2 CYS 16 4.598 3.655 -1.880
122 HB3 CYS 16 HB1 CYS 16 3.685 3.969 -3.353
123 H HIS 17 HN HIS 17 1.020 1.428 -2.076
124 HA HIS 17 HA HIS 17 0.016 1.571 -4.763
125 HB2 HIS 17 HB2 HIS 17 -0.667 -0.898 -4.740
126 HB3 HIS 17 HB1 HIS 17 1.014 -0.539 -5.105
127 HD1 HIS 17 HD1 HIS 17 -1.082 -2.535 -2.886
128 HD2 HIS 17 HD2 HIS 17 2.768 -0.983 -2.816
129 HE1 HIS 17 HE1 HIS 17 0.144 -3.820 -1.106
130 HE2 HIS 17 HE2 HIS 17 2.522 -3.042 -1.276
131 H ARG 18 HN ARG 18 -2.242 1.228 -4.891
132 HA ARG 18 HA ARG 18 -3.605 1.742 -2.364
133 HB2 ARG 18 HB2 ARG 18 -3.980 3.253 -4.286
134 HB3 ARG 18 HB1 ARG 18 -4.609 1.901 -5.214
135 HG2 ARG 18 HG2 ARG 18 -6.389 1.658 -3.455
136 HG3 ARG 18 HG1 ARG 18 -5.819 3.186 -2.780
137 HD2 ARG 18 HD2 ARG 18 -7.679 3.638 -4.233
138 HD3 ARG 18 HD1 ARG 18 -6.207 4.244 -4.993
139 HE ARG 18 HE ARG 18 -7.031 1.569 -5.766
140 HH11 ARG 18 HH11 ARG 18 -7.100 4.991 -6.526
141 HH12 ARG 18 HH12 ARG 18 -7.459 4.733 -8.203
142 HH21 ARG 18 HH21 ARG 18 -7.516 1.236 -7.959
143 HH22 ARG 18 HH22 ARG 18 -7.682 2.600 -9.023
144 H ARG 19 HN ARG 19 -4.654 0.161 -1.334
145 HA ARG 19 HA ARG 19 -5.568 -2.159 -2.912
146 HB2 ARG 19 HB2 ARG 19 -3.941 -2.551 -0.978
147 HB3 ARG 19 HB1 ARG 19 -5.253 -2.071 0.094
148 HG2 ARG 19 HG2 ARG 19 -6.627 -3.894 -1.012
149 HG3 ARG 19 HG1 ARG 19 -5.116 -4.456 -1.725
150 HD2 ARG 19 HD2 ARG 19 -5.702 -4.175 1.219
151 HD3 ARG 19 HD1 ARG 19 -5.657 -5.684 0.312
152 HE ARG 19 HE ARG 19 -3.193 -4.545 -0.081
153 HH11 ARG 19 HH11 ARG 19 -5.100 -5.586 2.661
154 HH12 ARG 19 HH12 ARG 19 -3.722 -5.934 3.661
155 HH21 ARG 19 HH21 ARG 19 -1.356 -5.003 1.241
156 HH22 ARG 19 HH22 ARG 19 -1.598 -5.581 2.860
157 H CYS 20 HN CYS 20 -7.718 -2.881 -2.623
158 HA CYS 20 HA CYS 20 -9.467 -0.925 -1.292
159 HB2 CYS 20 HB2 CYS 20 -9.877 -2.305 -3.944
160 HB3 CYS 20 HB1 CYS 20 -11.143 -1.422 -3.097
161 H ASN 21 HN ASN 21 -10.762 -1.706 0.177
162 HA ASN 21 HA ASN 21 -11.488 -4.559 0.084
163 HB2 ASN 21 HB2 ASN 21 -10.011 -4.071 1.986
164 HB3 ASN 21 HB1 ASN 21 -11.095 -2.789 2.513
165 HD21 ASN 21 HD21 ASN 21 -11.380 -3.763 4.506
166 HD22 ASN 21 HD22 ASN 21 -12.358 -5.175 4.710
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -16.446 -0.177 -0.289
2 H2 GLY 1 HT2 GLY 1 -15.355 -1.437 -0.606
3 H3 GLY 1 HT3 GLY 1 -16.699 -1.203 -1.608
4 HA2 GLY 1 HA1 GLY 1 -14.667 -0.400 -2.649
5 HA3 GLY 1 HA2 GLY 1 -15.848 0.877 -2.400
6 H PHE 2 HN PHE 2 -13.812 -0.560 0.109
7 HA PHE 2 HA PHE 2 -12.937 2.072 0.884
8 HB2 PHE 2 HB2 PHE 2 -12.324 -0.678 1.972
9 HB3 PHE 2 HB1 PHE 2 -11.721 0.816 2.667
10 HD1 PHE 2 HD1 PHE 2 -13.196 2.323 3.863
11 HD2 PHE 2 HD2 PHE 2 -14.635 -1.314 2.195
12 HE1 PHE 2 HE1 PHE 2 -15.247 2.522 5.202
13 HE2 PHE 2 HE2 PHE 2 -16.688 -1.123 3.534
14 HZ PHE 2 HZ PHE 2 -16.975 0.788 5.073
15 H CYS 3 HN CYS 3 -11.265 3.031 -0.054
16 HA CYS 3 HA CYS 3 -9.078 1.340 -1.067
17 HB2 CYS 3 HB2 CYS 3 -9.994 4.071 -1.982
18 HB3 CYS 3 HB1 CYS 3 -8.526 3.280 -2.545
19 H TRP 4 HN TRP 4 -7.135 1.540 -0.172
20 HA TRP 4 HA TRP 4 -6.418 4.064 1.110
21 HB2 TRP 4 HB2 TRP 4 -5.604 3.004 3.122
22 HB3 TRP 4 HB1 TRP 4 -7.287 2.547 2.896
23 HD1 TRP 4 HD1 TRP 4 -3.813 1.106 3.182
24 HE1 TRP 4 HE1 TRP 4 -3.939 -1.461 3.140
25 HE3 TRP 4 HE3 TRP 4 -8.718 0.555 1.831
26 HZ2 TRP 4 HZ2 TRP 4 -5.862 -3.456 2.605
27 HZ3 TRP 4 HZ3 TRP 4 -9.620 -1.722 1.579
28 HH2 TRP 4 HH2 TRP 4 -8.219 -3.687 1.957
29 H ASN 5 HN ASN 5 -4.329 4.622 0.815
30 HA ASN 5 HA ASN 5 -2.686 2.708 -0.686
31 HB2 ASN 5 HB2 ASN 5 -1.440 4.646 -1.541
32 HB3 ASN 5 HB1 ASN 5 -3.150 4.761 -1.926
33 HD21 ASN 5 HD21 ASN 5 -1.093 6.823 -1.761
34 HD22 ASN 5 HD22 ASN 5 -1.681 7.985 -0.621
35 H VAL 6 HN VAL 6 -0.829 1.997 0.118
36 HA VAL 6 HA VAL 6 0.392 3.457 2.339
37 HB VAL 6 HB VAL 6 -1.006 1.654 3.319
38 HG11 VAL 6 HG11 VAL 6 0.845 -0.191 1.824
39 HG12 VAL 6 HG12 VAL 6 -0.878 0.035 1.521
40 HG13 VAL 6 HG13 VAL 6 -0.339 -0.683 3.037
41 HG21 VAL 6 HG21 VAL 6 0.982 2.429 4.498
42 HG22 VAL 6 HG22 VAL 6 1.965 1.242 3.641
43 HG23 VAL 6 HG23 VAL 6 0.720 0.706 4.770
44 H CYS 7 HN CYS 7 2.604 3.206 2.511
45 HA CYS 7 HA CYS 7 3.899 1.858 0.239
46 HB2 CYS 7 HB2 CYS 7 4.651 4.480 1.545
47 HB3 CYS 7 HB1 CYS 7 5.612 3.661 0.321
48 H VAL 8 HN VAL 8 4.901 0.141 0.998
49 HA VAL 8 HA VAL 8 6.373 0.361 3.543
50 HB VAL 8 HB VAL 8 6.343 -2.127 3.586
51 HG11 VAL 8 HG11 VAL 8 4.681 -0.862 4.838
52 HG12 VAL 8 HG12 VAL 8 3.995 -2.367 4.226
53 HG13 VAL 8 HG13 VAL 8 3.620 -0.838 3.429
54 HG21 VAL 8 HG21 VAL 8 4.475 -1.841 1.230
55 HG22 VAL 8 HG22 VAL 8 4.797 -3.336 2.111
56 HG23 VAL 8 HG23 VAL 8 6.090 -2.553 1.201
57 H TYR 9 HN TYR 9 8.513 -0.587 3.609
58 HA TYR 9 HA TYR 9 9.804 -0.427 0.994
59 HB2 TYR 9 HB2 TYR 9 10.684 0.072 3.767
60 HB3 TYR 9 HB1 TYR 9 11.880 -0.682 2.715
61 HD1 TYR 9 HD1 TYR 9 12.969 0.547 1.015
62 HD2 TYR 9 HD2 TYR 9 9.701 2.287 3.110
63 HE1 TYR 9 HE1 TYR 9 13.481 2.721 -0.006
64 HE2 TYR 9 HE2 TYR 9 10.208 4.471 2.096
65 HH TYR 9 HH TYR 9 11.996 5.648 1.042
66 H ARG 10 HN ARG 10 10.539 -2.113 -0.047
67 HA ARG 10 HA ARG 10 10.965 -4.627 1.409
68 HB2 ARG 10 HB2 ARG 10 8.707 -4.714 0.421
69 HB3 ARG 10 HB1 ARG 10 9.382 -4.339 -1.159
70 HG2 ARG 10 HG2 ARG 10 8.943 -6.685 -1.051
71 HG3 ARG 10 HG1 ARG 10 10.691 -6.446 -1.038
72 HD2 ARG 10 HD2 ARG 10 10.655 -6.669 1.428
73 HD3 ARG 10 HD1 ARG 10 8.931 -7.023 1.341
74 HE ARG 10 HE ARG 10 10.797 -8.725 -0.146
75 HH11 ARG 10 HH11 ARG 10 8.540 -8.312 2.501
76 HH12 ARG 10 HH12 ARG 10 8.459 -10.006 2.861
77 HH21 ARG 10 HH21 ARG 10 10.699 -10.951 0.333
78 HH22 ARG 10 HH22 ARG 10 9.690 -11.508 1.630
79 H ASN 11 HN ASN 11 12.952 -5.298 1.007
80 HA ASN 11 HA ASN 11 14.909 -5.787 -0.026
81 HB2 ASN 11 HB2 ASN 11 13.338 -5.384 -2.579
82 HB3 ASN 11 HB1 ASN 11 14.911 -6.164 -2.453
83 HD21 ASN 11 HD21 ASN 11 12.332 -7.157 -3.416
84 HD22 ASN 11 HD22 ASN 11 12.011 -8.585 -2.494
85 H GLY 12 HN GLY 12 14.026 -2.960 0.512
86 HA2 GLY 12 HA2 GLY 12 15.483 -1.101 0.543
87 HA3 GLY 12 HA1 GLY 12 16.280 -1.732 -0.886
88 H VAL 13 HN VAL 13 13.088 -1.991 -1.580
89 HA VAL 13 HA VAL 13 13.072 0.681 -2.827
90 HB VAL 13 HB VAL 13 13.201 -1.391 -4.326
91 HG11 VAL 13 HG11 VAL 13 11.556 -2.769 -3.195
92 HG12 VAL 13 HG12 VAL 13 11.098 -2.488 -4.875
93 HG13 VAL 13 HG13 VAL 13 10.294 -1.597 -3.580
94 HG21 VAL 13 HG21 VAL 13 11.694 -0.403 -6.003
95 HG22 VAL 13 HG22 VAL 13 12.696 0.805 -5.199
96 HG23 VAL 13 HG23 VAL 13 11.001 0.622 -4.747
97 H ARG 14 HN ARG 14 11.086 1.809 -2.943
98 HA ARG 14 HA ARG 14 9.324 1.211 -0.713
99 HB2 ARG 14 HB2 ARG 14 10.144 3.520 -1.067
100 HB3 ARG 14 HB1 ARG 14 9.292 3.570 -2.605
101 HG2 ARG 14 HG2 ARG 14 7.168 3.360 -1.489
102 HG3 ARG 14 HG1 ARG 14 7.972 3.155 0.068
103 HD2 ARG 14 HD2 ARG 14 7.144 5.418 -0.156
104 HD3 ARG 14 HD1 ARG 14 8.906 5.414 -0.128
105 HE ARG 14 HE ARG 14 8.534 5.455 -2.719
106 HH11 ARG 14 HH11 ARG 14 6.702 7.176 -0.278
107 HH12 ARG 14 HH12 ARG 14 6.347 8.521 -1.314
108 HH21 ARG 14 HH21 ARG 14 8.071 7.227 -4.079
109 HH22 ARG 14 HH22 ARG 14 7.125 8.551 -3.474
110 H VAL 15 HN VAL 15 7.671 -0.053 -0.985
111 HA VAL 15 HA VAL 15 6.446 -0.381 -3.616
112 HB VAL 15 HB VAL 15 6.080 -1.945 -1.052
113 HG11 VAL 15 HG11 VAL 15 4.066 -2.087 -2.348
114 HG12 VAL 15 HG12 VAL 15 4.949 -3.608 -2.500
115 HG13 VAL 15 HG13 VAL 15 4.985 -2.432 -3.815
116 HG21 VAL 15 HG21 VAL 15 8.296 -2.232 -2.009
117 HG22 VAL 15 HG22 VAL 15 7.585 -2.621 -3.577
118 HG23 VAL 15 HG23 VAL 15 7.341 -3.704 -2.204
119 H CYS 16 HN CYS 16 4.994 1.189 -3.972
120 HA CYS 16 HA CYS 16 3.085 1.863 -1.839
121 HB2 CYS 16 HB2 CYS 16 3.866 3.364 -4.346
122 HB3 CYS 16 HB1 CYS 16 2.569 3.863 -3.267
123 H HIS 17 HN HIS 17 1.132 1.007 -1.969
124 HA HIS 17 HA HIS 17 -0.138 0.751 -4.572
125 HB2 HIS 17 HB2 HIS 17 -0.997 -1.565 -3.899
126 HB3 HIS 17 HB1 HIS 17 0.657 -1.452 -4.480
127 HD1 HIS 17 HD1 HIS 17 -1.063 -1.401 -1.052
128 HD2 HIS 17 HD2 HIS 17 2.330 -2.873 -2.956
129 HE1 HIS 17 HE1 HIS 17 0.196 -2.703 0.694
130 HE2 HIS 17 HE2 HIS 17 2.162 -3.701 -0.517
131 H ARG 18 HN ARG 18 -2.368 0.742 -4.525
132 HA ARG 18 HA ARG 18 -3.550 1.472 -1.931
133 HB2 ARG 18 HB2 ARG 18 -3.524 3.355 -3.478
134 HB3 ARG 18 HB1 ARG 18 -4.295 2.380 -4.720
135 HG2 ARG 18 HG2 ARG 18 -6.318 2.240 -3.410
136 HG3 ARG 18 HG1 ARG 18 -5.550 3.112 -2.082
137 HD2 ARG 18 HD2 ARG 18 -6.991 4.580 -3.413
138 HD3 ARG 18 HD1 ARG 18 -5.303 5.079 -3.486
139 HE ARG 18 HE ARG 18 -6.096 3.353 -5.648
140 HH11 ARG 18 HH11 ARG 18 -6.012 6.665 -4.521
141 HH12 ARG 18 HH12 ARG 18 -5.980 7.342 -6.115
142 HH21 ARG 18 HH21 ARG 18 -6.067 4.240 -7.750
143 HH22 ARG 18 HH22 ARG 18 -6.011 5.962 -7.958
144 H ARG 19 HN ARG 19 -4.411 -0.405 -1.243
145 HA ARG 19 HA ARG 19 -5.793 -2.194 -3.020
146 HB2 ARG 19 HB2 ARG 19 -5.522 -2.123 -0.014
147 HB3 ARG 19 HB1 ARG 19 -6.453 -3.342 -0.863
148 HG2 ARG 19 HG2 ARG 19 -4.436 -4.050 -2.050
149 HG3 ARG 19 HG1 ARG 19 -3.507 -2.852 -1.150
150 HD2 ARG 19 HD2 ARG 19 -4.097 -3.946 0.944
151 HD3 ARG 19 HD1 ARG 19 -5.074 -5.122 0.066
152 HE ARG 19 HE ARG 19 -2.420 -5.120 -0.905
153 HH11 ARG 19 HH11 ARG 19 -4.362 -6.180 1.797
154 HH12 ARG 19 HH12 ARG 19 -3.296 -7.476 2.226
155 HH21 ARG 19 HH21 ARG 19 -1.005 -6.848 -0.344
156 HH22 ARG 19 HH22 ARG 19 -1.401 -7.866 1.001
157 H CYS 20 HN CYS 20 -7.982 -2.548 -3.144
158 HA CYS 20 HA CYS 20 -9.707 -0.600 -1.794
159 HB2 CYS 20 HB2 CYS 20 -9.744 -1.346 -4.717
160 HB3 CYS 20 HB1 CYS 20 -11.061 -0.505 -3.912
161 H ASN 21 HN ASN 21 -10.966 -1.724 -0.504
162 HA ASN 21 HA ASN 21 -11.862 -4.394 -1.305
163 HB2 ASN 21 HB2 ASN 21 -10.905 -4.114 0.966
164 HB3 ASN 21 HB1 ASN 21 -12.179 -2.959 1.345
165 HD21 ASN 21 HD21 ASN 21 -12.999 -4.168 3.007
166 HD22 ASN 21 HD22 ASN 21 -13.857 -5.648 2.762
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -16.672 0.972 0.933
2 H2 GLY 1 HT2 GLY 1 -17.632 -0.282 0.337
3 H3 GLY 1 HT3 GLY 1 -17.351 1.088 -0.608
4 HA2 GLY 1 HA1 GLY 1 -15.304 -0.891 0.220
5 HA3 GLY 1 HA2 GLY 1 -16.015 -0.763 -1.382
6 H PHE 2 HN PHE 2 -14.099 0.981 1.014
7 HA PHE 2 HA PHE 2 -13.341 2.975 -0.953
8 HB2 PHE 2 HB2 PHE 2 -12.171 3.996 1.038
9 HB3 PHE 2 HB1 PHE 2 -13.917 3.881 1.164
10 HD1 PHE 2 HD1 PHE 2 -10.717 2.738 2.465
11 HD2 PHE 2 HD2 PHE 2 -14.940 2.286 2.705
12 HE1 PHE 2 HE1 PHE 2 -10.466 1.554 4.603
13 HE2 PHE 2 HE2 PHE 2 -14.694 1.106 4.849
14 HZ PHE 2 HZ PHE 2 -12.466 0.742 5.801
15 H CYS 3 HN CYS 3 -11.028 3.641 -1.036
16 HA CYS 3 HA CYS 3 -9.205 1.352 -0.759
17 HB2 CYS 3 HB2 CYS 3 -9.332 3.268 -3.098
18 HB3 CYS 3 HB1 CYS 3 -8.145 1.988 -2.890
19 H TRP 4 HN TRP 4 -6.962 1.912 -0.522
20 HA TRP 4 HA TRP 4 -6.287 4.705 -0.094
21 HB2 TRP 4 HB2 TRP 4 -5.385 4.329 2.151
22 HB3 TRP 4 HB1 TRP 4 -7.112 4.007 2.109
23 HD1 TRP 4 HD1 TRP 4 -3.776 2.338 2.777
24 HE1 TRP 4 HE1 TRP 4 -4.186 -0.033 3.688
25 HE3 TRP 4 HE3 TRP 4 -8.803 1.999 1.920
26 HZ2 TRP 4 HZ2 TRP 4 -6.354 -1.810 3.998
27 HZ3 TRP 4 HZ3 TRP 4 -9.969 -0.073 2.548
28 HH2 TRP 4 HH2 TRP 4 -8.765 -1.938 3.564
29 H ASN 5 HN ASN 5 -3.990 5.061 0.044
30 HA ASN 5 HA ASN 5 -2.498 2.909 -1.266
31 HB2 ASN 5 HB2 ASN 5 -0.854 4.810 -1.795
32 HB3 ASN 5 HB1 ASN 5 -2.393 4.798 -2.646
33 HD21 ASN 5 HD21 ASN 5 -0.423 6.428 -0.299
34 HD22 ASN 5 HD22 ASN 5 -1.407 7.842 -0.162
35 H VAL 6 HN VAL 6 -1.643 1.674 0.262
36 HA VAL 6 HA VAL 6 -0.121 2.960 2.428
37 HB VAL 6 HB VAL 6 -1.838 1.326 3.137
38 HG11 VAL 6 HG11 VAL 6 -0.192 -0.657 1.584
39 HG12 VAL 6 HG12 VAL 6 -1.842 -0.140 1.227
40 HG13 VAL 6 HG13 VAL 6 -1.504 -1.068 2.690
41 HG21 VAL 6 HG21 VAL 6 0.995 0.429 3.646
42 HG22 VAL 6 HG22 VAL 6 -0.415 -0.045 4.594
43 HG23 VAL 6 HG23 VAL 6 0.096 1.641 4.558
44 H CYS 7 HN CYS 7 2.071 2.250 2.807
45 HA CYS 7 HA CYS 7 3.291 1.099 0.387
46 HB2 CYS 7 HB2 CYS 7 4.412 3.392 2.001
47 HB3 CYS 7 HB1 CYS 7 5.099 2.714 0.530
48 H VAL 8 HN VAL 8 5.045 -0.208 0.626
49 HA VAL 8 HA VAL 8 6.051 -0.699 3.349
50 HB VAL 8 HB VAL 8 6.266 -3.111 2.796
51 HG11 VAL 8 HG11 VAL 8 4.398 -2.411 4.141
52 HG12 VAL 8 HG12 VAL 8 3.878 -3.682 3.035
53 HG13 VAL 8 HG13 VAL 8 3.470 -2.001 2.700
54 HG21 VAL 8 HG21 VAL 8 4.590 -2.413 0.386
55 HG22 VAL 8 HG22 VAL 8 5.004 -4.044 0.915
56 HG23 VAL 8 HG23 VAL 8 6.270 -2.946 0.366
57 H TYR 9 HN TYR 9 8.225 -1.577 3.402
58 HA TYR 9 HA TYR 9 9.788 -0.701 1.093
59 HB2 TYR 9 HB2 TYR 9 10.556 -1.340 3.942
60 HB3 TYR 9 HB1 TYR 9 11.742 -1.036 2.678
61 HD1 TYR 9 HD1 TYR 9 11.889 1.213 1.635
62 HD2 TYR 9 HD2 TYR 9 9.329 0.437 4.943
63 HE1 TYR 9 HE1 TYR 9 11.703 3.627 2.051
64 HE2 TYR 9 HE2 TYR 9 9.136 2.849 5.366
65 HH TYR 9 HH TYR 9 10.382 4.902 4.916
66 H ARG 10 HN ARG 10 10.649 -2.084 -0.287
67 HA ARG 10 HA ARG 10 11.160 -4.833 0.582
68 HB2 ARG 10 HB2 ARG 10 8.938 -4.882 -0.467
69 HB3 ARG 10 HB1 ARG 10 9.591 -4.109 -1.907
70 HG2 ARG 10 HG2 ARG 10 9.389 -6.418 -2.382
71 HG3 ARG 10 HG1 ARG 10 11.107 -6.087 -2.167
72 HD2 ARG 10 HD2 ARG 10 10.809 -6.843 0.235
73 HD3 ARG 10 HD1 ARG 10 9.220 -7.436 -0.252
74 HE ARG 10 HE ARG 10 11.717 -8.358 -1.528
75 HH11 ARG 10 HH11 ARG 10 8.595 -9.036 -0.076
76 HH12 ARG 10 HH12 ARG 10 8.705 -10.745 -0.331
77 HH21 ARG 10 HH21 ARG 10 11.862 -10.610 -1.860
78 HH22 ARG 10 HH22 ARG 10 10.571 -11.644 -1.334
79 H ASN 11 HN ASN 11 13.189 -5.262 0.138
80 HA ASN 11 HA ASN 11 15.221 -5.353 -0.855
81 HB2 ASN 11 HB2 ASN 11 13.622 -4.675 -3.332
82 HB3 ASN 11 HB1 ASN 11 15.323 -5.117 -3.351
83 HD21 ASN 11 HD21 ASN 11 14.954 -6.918 -4.614
84 HD22 ASN 11 HD22 ASN 11 14.191 -8.344 -4.004
85 H GLY 12 HN GLY 12 14.243 -2.875 0.325
86 HA2 GLY 12 HA2 GLY 12 15.597 -1.013 0.812
87 HA3 GLY 12 HA1 GLY 12 16.371 -1.191 -0.753
88 H VAL 13 HN VAL 13 13.298 -1.436 -1.626
89 HA VAL 13 HA VAL 13 13.136 1.464 -2.105
90 HB VAL 13 HB VAL 13 13.438 -0.151 -4.064
91 HG11 VAL 13 HG11 VAL 13 11.845 -1.844 -3.362
92 HG12 VAL 13 HG12 VAL 13 11.437 -1.203 -4.952
93 HG13 VAL 13 HG13 VAL 13 10.528 -0.684 -3.533
94 HG21 VAL 13 HG21 VAL 13 11.983 1.152 -5.524
95 HG22 VAL 13 HG22 VAL 13 12.791 2.184 -4.343
96 HG23 VAL 13 HG23 VAL 13 11.096 1.745 -4.118
97 H ARG 14 HN ARG 14 11.023 2.441 -2.179
98 HA ARG 14 HA ARG 14 9.232 1.256 -0.198
99 HB2 ARG 14 HB2 ARG 14 10.015 3.550 0.185
100 HB3 ARG 14 HB1 ARG 14 9.340 4.048 -1.359
101 HG2 ARG 14 HG2 ARG 14 7.093 3.524 -0.538
102 HG3 ARG 14 HG1 ARG 14 7.783 3.051 1.016
103 HD2 ARG 14 HD2 ARG 14 8.655 5.304 1.326
104 HD3 ARG 14 HD1 ARG 14 8.008 5.781 -0.241
105 HE ARG 14 HE ARG 14 6.094 4.747 1.679
106 HH11 ARG 14 HH11 ARG 14 7.613 7.571 0.275
107 HH12 ARG 14 HH12 ARG 14 6.320 8.642 0.712
108 HH21 ARG 14 HH21 ARG 14 4.397 6.159 2.276
109 HH22 ARG 14 HH22 ARG 14 4.497 7.840 1.863
110 H VAL 15 HN VAL 15 7.898 -0.136 -1.180
111 HA VAL 15 HA VAL 15 6.723 0.514 -3.773
112 HB VAL 15 HB VAL 15 6.367 -2.003 -2.137
113 HG11 VAL 15 HG11 VAL 15 5.720 -3.010 -4.270
114 HG12 VAL 15 HG12 VAL 15 5.905 -1.445 -5.063
115 HG13 VAL 15 HG13 VAL 15 4.658 -1.669 -3.834
116 HG21 VAL 15 HG21 VAL 15 8.726 -1.706 -2.612
117 HG22 VAL 15 HG22 VAL 15 8.371 -1.434 -4.318
118 HG23 VAL 15 HG23 VAL 15 8.069 -3.013 -3.594
119 H CYS 16 HN CYS 16 4.766 1.423 -3.903
120 HA CYS 16 HA CYS 16 3.073 1.373 -1.506
121 HB2 CYS 16 HB2 CYS 16 3.158 3.324 -3.809
122 HB3 CYS 16 HB1 CYS 16 1.968 3.377 -2.513
123 H HIS 17 HN HIS 17 1.098 0.508 -1.523
124 HA HIS 17 HA HIS 17 0.049 -0.448 -4.112
125 HB2 HIS 17 HB2 HIS 17 -0.163 -1.834 -1.430
126 HB3 HIS 17 HB1 HIS 17 -0.900 -2.387 -2.924
127 HD1 HIS 17 HD1 HIS 17 2.031 -2.812 -0.900
128 HD2 HIS 17 HD2 HIS 17 1.167 -3.045 -4.956
129 HE1 HIS 17 HE1 HIS 17 3.897 -4.151 -1.905
130 HE2 HIS 17 HE2 HIS 17 3.268 -4.418 -4.331
131 H ARG 18 HN ARG 18 -2.107 -0.175 -4.472
132 HA ARG 18 HA ARG 18 -3.573 1.412 -2.512
133 HB2 ARG 18 HB2 ARG 18 -3.566 2.221 -4.822
134 HB3 ARG 18 HB1 ARG 18 -4.252 0.698 -5.372
135 HG2 ARG 18 HG2 ARG 18 -6.291 1.137 -4.145
136 HG3 ARG 18 HG1 ARG 18 -5.603 2.622 -3.486
137 HD2 ARG 18 HD2 ARG 18 -7.117 3.055 -5.368
138 HD3 ARG 18 HD1 ARG 18 -5.468 3.582 -5.706
139 HE ARG 18 HE ARG 18 -5.555 1.079 -6.749
140 HH11 ARG 18 HH11 ARG 18 -7.605 3.891 -7.124
141 HH12 ARG 18 HH12 ARG 18 -8.023 3.524 -8.767
142 HH21 ARG 18 HH21 ARG 18 -6.097 0.594 -8.904
143 HH22 ARG 18 HH22 ARG 18 -7.173 1.640 -9.777
144 H ARG 19 HN ARG 19 -4.335 0.102 -0.987
145 HA ARG 19 HA ARG 19 -5.539 -2.455 -1.707
146 HB2 ARG 19 HB2 ARG 19 -3.933 -2.120 0.262
147 HB3 ARG 19 HB1 ARG 19 -5.256 -1.284 1.061
148 HG2 ARG 19 HG2 ARG 19 -6.624 -3.307 0.906
149 HG3 ARG 19 HG1 ARG 19 -5.283 -4.146 0.123
150 HD2 ARG 19 HD2 ARG 19 -5.319 -3.005 2.914
151 HD3 ARG 19 HD1 ARG 19 -5.351 -4.710 2.477
152 HE ARG 19 HE ARG 19 -3.063 -3.651 1.338
153 HH11 ARG 19 HH11 ARG 19 -4.363 -4.085 4.559
154 HH12 ARG 19 HH12 ARG 19 -2.803 -4.180 5.313
155 HH21 ARG 19 HH21 ARG 19 -1.005 -3.795 2.334
156 HH22 ARG 19 HH22 ARG 19 -0.900 -4.037 4.048
157 H CYS 20 HN CYS 20 -7.722 -2.920 -1.334
158 HA CYS 20 HA CYS 20 -9.390 -0.592 -0.672
159 HB2 CYS 20 HB2 CYS 20 -9.947 -2.689 -2.778
160 HB3 CYS 20 HB1 CYS 20 -11.030 -1.373 -2.333
161 H ASN 21 HN ASN 21 -11.415 -1.040 0.298
162 HA ASN 21 HA ASN 21 -11.957 -3.765 1.153
163 HB2 ASN 21 HB2 ASN 21 -10.477 -2.868 2.915
164 HB3 ASN 21 HB1 ASN 21 -11.580 -1.516 3.145
165 HD21 ASN 21 HD21 ASN 21 -13.501 -1.838 4.207
166 HD22 ASN 21 HD22 ASN 21 -13.846 -3.278 5.101
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -15.796 1.263 -3.254
2 H2 GLY 1 HT2 GLY 1 -16.057 -0.395 -3.448
3 H3 GLY 1 HT3 GLY 1 -14.506 0.241 -3.636
4 HA2 GLY 1 HA1 GLY 1 -16.058 0.181 -1.112
5 HA3 GLY 1 HA2 GLY 1 -14.708 -0.871 -1.507
6 H PHE 2 HN PHE 2 -13.772 -0.002 0.489
7 HA PHE 2 HA PHE 2 -12.925 2.769 0.442
8 HB2 PHE 2 HB2 PHE 2 -12.414 0.496 2.366
9 HB3 PHE 2 HB1 PHE 2 -11.759 2.110 2.567
10 HD1 PHE 2 HD1 PHE 2 -13.022 3.805 3.572
11 HD2 PHE 2 HD2 PHE 2 -14.916 0.202 2.345
12 HE1 PHE 2 HE1 PHE 2 -15.072 4.485 4.750
13 HE2 PHE 2 HE2 PHE 2 -16.969 0.874 3.516
14 HZ PHE 2 HZ PHE 2 -17.049 3.019 4.722
15 H CYS 3 HN CYS 3 -11.212 3.352 -0.703
16 HA CYS 3 HA CYS 3 -9.085 1.369 -1.136
17 HB2 CYS 3 HB2 CYS 3 -9.727 3.795 -2.821
18 HB3 CYS 3 HB1 CYS 3 -8.514 2.568 -3.165
19 H TRP 4 HN TRP 4 -7.164 1.750 -0.268
20 HA TRP 4 HA TRP 4 -6.428 4.525 0.337
21 HB2 TRP 4 HB2 TRP 4 -5.527 3.898 2.494
22 HB3 TRP 4 HB1 TRP 4 -7.220 3.429 2.417
23 HD1 TRP 4 HD1 TRP 4 -3.745 2.014 2.855
24 HE1 TRP 4 HE1 TRP 4 -3.904 -0.499 3.381
25 HE3 TRP 4 HE3 TRP 4 -8.713 1.295 1.874
26 HZ2 TRP 4 HZ2 TRP 4 -5.873 -2.515 3.387
27 HZ3 TRP 4 HZ3 TRP 4 -9.653 -0.959 2.172
28 HH2 TRP 4 HH2 TRP 4 -8.260 -2.825 2.905
29 H ASN 5 HN ASN 5 -4.189 4.934 0.388
30 HA ASN 5 HA ASN 5 -2.593 2.951 -1.074
31 HB2 ASN 5 HB2 ASN 5 -2.518 5.955 -0.980
32 HB3 ASN 5 HB1 ASN 5 -1.099 5.040 -1.475
33 HD21 ASN 5 HD21 ASN 5 -1.096 3.980 -3.419
34 HD22 ASN 5 HD22 ASN 5 -2.308 4.221 -4.625
35 H VAL 6 HN VAL 6 -1.150 1.899 0.046
36 HA VAL 6 HA VAL 6 0.134 3.241 2.333
37 HB VAL 6 HB VAL 6 -1.426 1.501 3.121
38 HG11 VAL 6 HG11 VAL 6 -1.389 0.039 1.191
39 HG12 VAL 6 HG12 VAL 6 -0.966 -0.859 2.648
40 HG13 VAL 6 HG13 VAL 6 0.295 -0.372 1.514
41 HG21 VAL 6 HG21 VAL 6 0.620 1.981 4.391
42 HG22 VAL 6 HG22 VAL 6 1.463 0.720 3.493
43 HG23 VAL 6 HG23 VAL 6 0.122 0.298 4.555
44 H CYS 7 HN CYS 7 2.334 2.763 2.647
45 HA CYS 7 HA CYS 7 3.635 1.545 0.310
46 HB2 CYS 7 HB2 CYS 7 4.584 3.965 1.856
47 HB3 CYS 7 HB1 CYS 7 5.389 3.239 0.470
48 H VAL 8 HN VAL 8 5.285 0.180 0.656
49 HA VAL 8 HA VAL 8 6.342 -0.111 3.383
50 HB VAL 8 HB VAL 8 6.299 -2.588 3.123
51 HG11 VAL 8 HG11 VAL 8 4.599 -1.524 4.468
52 HG12 VAL 8 HG12 VAL 8 3.895 -2.878 3.583
53 HG13 VAL 8 HG13 VAL 8 3.612 -1.225 3.037
54 HG21 VAL 8 HG21 VAL 8 6.150 -2.722 0.700
55 HG22 VAL 8 HG22 VAL 8 4.540 -2.006 0.743
56 HG23 VAL 8 HG23 VAL 8 4.817 -3.596 1.452
57 H TYR 9 HN TYR 9 8.455 -1.034 3.467
58 HA TYR 9 HA TYR 9 9.947 -0.645 0.989
59 HB2 TYR 9 HB2 TYR 9 10.738 -0.781 3.883
60 HB3 TYR 9 HB1 TYR 9 11.940 -0.983 2.614
61 HD1 TYR 9 HD1 TYR 9 12.780 0.886 1.424
62 HD2 TYR 9 HD2 TYR 9 9.463 1.353 4.038
63 HE1 TYR 9 HE1 TYR 9 12.977 3.327 1.225
64 HE2 TYR 9 HE2 TYR 9 9.651 3.796 3.853
65 HH TYR 9 HH TYR 9 11.389 5.467 3.315
66 H ARG 10 HN ARG 10 10.868 -2.237 -0.134
67 HA ARG 10 HA ARG 10 11.426 -4.792 1.139
68 HB2 ARG 10 HB2 ARG 10 9.108 -5.047 0.322
69 HB3 ARG 10 HB1 ARG 10 9.635 -4.609 -1.298
70 HG2 ARG 10 HG2 ARG 10 11.073 -6.588 -1.362
71 HG3 ARG 10 HG1 ARG 10 10.535 -7.024 0.259
72 HD2 ARG 10 HD2 ARG 10 9.309 -8.316 -1.359
73 HD3 ARG 10 HD1 ARG 10 8.219 -7.166 -0.583
74 HE ARG 10 HE ARG 10 9.178 -5.961 -2.901
75 HH11 ARG 10 HH11 ARG 10 7.249 -8.731 -2.009
76 HH12 ARG 10 HH12 ARG 10 6.313 -8.717 -3.468
77 HH21 ARG 10 HH21 ARG 10 7.950 -5.928 -4.839
78 HH22 ARG 10 HH22 ARG 10 6.723 -7.130 -5.089
79 H ASN 11 HN ASN 11 13.378 -5.378 0.521
80 HA ASN 11 HA ASN 11 15.277 -5.690 -0.673
81 HB2 ASN 11 HB2 ASN 11 13.410 -5.173 -2.983
82 HB3 ASN 11 HB1 ASN 11 15.123 -5.499 -3.218
83 HD21 ASN 11 HD21 ASN 11 14.726 -7.384 -4.335
84 HD22 ASN 11 HD22 ASN 11 14.169 -8.826 -3.558
85 H GLY 12 HN GLY 12 14.303 -2.991 0.260
86 HA2 GLY 12 HA2 GLY 12 15.682 -1.113 0.544
87 HA3 GLY 12 HA1 GLY 12 16.549 -1.555 -0.918
88 H VAL 13 HN VAL 13 13.120 -1.546 -1.171
89 HA VAL 13 HA VAL 13 13.137 1.211 -2.172
90 HB VAL 13 HB VAL 13 13.457 -0.363 -4.085
91 HG11 VAL 13 HG11 VAL 13 11.549 -1.682 -4.867
92 HG12 VAL 13 HG12 VAL 13 10.689 -1.289 -3.377
93 HG13 VAL 13 HG13 VAL 13 12.168 -2.247 -3.315
94 HG21 VAL 13 HG21 VAL 13 10.896 1.221 -4.073
95 HG22 VAL 13 HG22 VAL 13 11.729 0.645 -5.516
96 HG23 VAL 13 HG23 VAL 13 12.505 1.827 -4.462
97 H ARG 14 HN ARG 14 11.165 2.288 -2.028
98 HA ARG 14 HA ARG 14 9.257 1.034 -0.202
99 HB2 ARG 14 HB2 ARG 14 10.150 3.247 0.409
100 HB3 ARG 14 HB1 ARG 14 9.507 3.918 -1.084
101 HG2 ARG 14 HG2 ARG 14 7.245 3.438 -0.349
102 HG3 ARG 14 HG1 ARG 14 7.869 2.715 1.135
103 HD2 ARG 14 HD2 ARG 14 7.125 4.970 1.577
104 HD3 ARG 14 HD1 ARG 14 8.878 4.879 1.733
105 HE ARG 14 HE ARG 14 8.442 5.678 -0.854
106 HH11 ARG 14 HH11 ARG 14 7.621 6.887 2.322
107 HH12 ARG 14 HH12 ARG 14 7.540 8.542 1.813
108 HH21 ARG 14 HH21 ARG 14 8.353 7.866 -1.525
109 HH22 ARG 14 HH22 ARG 14 7.960 9.098 -0.366
110 H VAL 15 HN VAL 15 7.907 -0.194 -1.373
111 HA VAL 15 HA VAL 15 6.729 0.866 -3.813
112 HB VAL 15 HB VAL 15 5.745 -1.356 -4.078
113 HG11 VAL 15 HG11 VAL 15 7.834 -2.624 -4.392
114 HG12 VAL 15 HG12 VAL 15 8.691 -1.394 -3.467
115 HG13 VAL 15 HG13 VAL 15 7.941 -0.974 -5.006
116 HG21 VAL 15 HG21 VAL 15 6.315 -3.185 -2.562
117 HG22 VAL 15 HG22 VAL 15 5.399 -1.922 -1.737
118 HG23 VAL 15 HG23 VAL 15 7.143 -2.043 -1.503
119 H CYS 16 HN CYS 16 4.532 1.222 -4.057
120 HA CYS 16 HA CYS 16 3.027 1.380 -1.534
121 HB2 CYS 16 HB2 CYS 16 2.896 3.287 -3.875
122 HB3 CYS 16 HB1 CYS 16 1.941 3.400 -2.400
123 H HIS 17 HN HIS 17 0.941 0.713 -1.515
124 HA HIS 17 HA HIS 17 -0.109 -0.430 -4.025
125 HB2 HIS 17 HB2 HIS 17 -0.403 -1.652 -1.268
126 HB3 HIS 17 HB1 HIS 17 -0.984 -2.331 -2.783
127 HD1 HIS 17 HD1 HIS 17 1.662 -2.713 -0.459
128 HD2 HIS 17 HD2 HIS 17 1.415 -2.796 -4.612
129 HE1 HIS 17 HE1 HIS 17 3.722 -3.928 -1.234
130 HE2 HIS 17 HE2 HIS 17 3.503 -4.056 -3.741
131 H ARG 18 HN ARG 18 -2.289 -0.162 -4.382
132 HA ARG 18 HA ARG 18 -3.769 1.335 -2.326
133 HB2 ARG 18 HB2 ARG 18 -3.628 2.565 -4.421
134 HB3 ARG 18 HB1 ARG 18 -4.245 1.178 -5.308
135 HG2 ARG 18 HG2 ARG 18 -6.380 1.368 -4.163
136 HG3 ARG 18 HG1 ARG 18 -5.765 2.725 -3.217
137 HD2 ARG 18 HD2 ARG 18 -5.974 2.698 -6.225
138 HD3 ARG 18 HD1 ARG 18 -7.186 3.392 -5.151
139 HE ARG 18 HE ARG 18 -4.713 4.527 -4.507
140 HH11 ARG 18 HH11 ARG 18 -7.031 4.514 -7.132
141 HH12 ARG 18 HH12 ARG 18 -6.569 6.081 -7.717
142 HH21 ARG 18 HH21 ARG 18 -4.102 6.594 -5.266
143 HH22 ARG 18 HH22 ARG 18 -4.898 7.265 -6.653
144 H ARG 19 HN ARG 19 -4.887 -0.034 -1.126
145 HA ARG 19 HA ARG 19 -6.079 -2.397 -2.380
146 HB2 ARG 19 HB2 ARG 19 -5.687 -1.644 0.518
147 HB3 ARG 19 HB1 ARG 19 -6.523 -3.094 -0.014
148 HG2 ARG 19 HG2 ARG 19 -4.516 -3.938 -1.028
149 HG3 ARG 19 HG1 ARG 19 -3.660 -2.442 -0.653
150 HD2 ARG 19 HD2 ARG 19 -3.098 -4.205 0.937
151 HD3 ARG 19 HD1 ARG 19 -3.936 -2.873 1.729
152 HE ARG 19 HE ARG 19 -5.797 -4.848 0.955
153 HH11 ARG 19 HH11 ARG 19 -3.242 -4.307 3.283
154 HH12 ARG 19 HH12 ARG 19 -3.935 -5.351 4.480
155 HH21 ARG 19 HH21 ARG 19 -6.712 -6.223 2.521
156 HH22 ARG 19 HH22 ARG 19 -5.910 -6.444 4.047
157 H CYS 20 HN CYS 20 -8.210 -2.595 -2.669
158 HA CYS 20 HA CYS 20 -9.936 -0.517 -1.511
159 HB2 CYS 20 HB2 CYS 20 -10.259 -2.107 -4.062
160 HB3 CYS 20 HB1 CYS 20 -11.491 -1.037 -3.404
161 H ASN 21 HN ASN 21 -11.073 -1.207 0.132
162 HA ASN 21 HA ASN 21 -11.806 -4.046 0.283
163 HB2 ASN 21 HB2 ASN 21 -10.504 -3.112 2.179
164 HB3 ASN 21 HB1 ASN 21 -11.804 -1.963 2.476
165 HD21 ASN 21 HD21 ASN 21 -12.191 -2.745 4.528
166 HD22 ASN 21 HD22 ASN 21 -12.951 -4.274 4.812
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -16.035 -0.933 0.767
2 H2 GLY 1 HT2 GLY 1 -14.741 -1.991 0.486
3 H3 GLY 1 HT3 GLY 1 -16.175 -2.147 -0.401
4 HA2 GLY 1 HA1 GLY 1 -14.456 -1.108 -1.737
5 HA3 GLY 1 HA2 GLY 1 -15.817 -0.031 -1.468
6 H PHE 2 HN PHE 2 -13.304 -0.826 0.890
7 HA PHE 2 HA PHE 2 -12.732 2.019 1.145
8 HB2 PHE 2 HB2 PHE 2 -11.934 -0.380 2.800
9 HB3 PHE 2 HB1 PHE 2 -11.461 1.271 3.161
10 HD1 PHE 2 HD1 PHE 2 -13.075 2.882 3.987
11 HD2 PHE 2 HD2 PHE 2 -14.186 -1.138 3.151
12 HE1 PHE 2 HE1 PHE 2 -15.158 3.198 5.254
13 HE2 PHE 2 HE2 PHE 2 -16.272 -0.829 4.414
14 HZ PHE 2 HZ PHE 2 -16.762 1.349 5.466
15 H CYS 3 HN CYS 3 -11.043 2.892 0.112
16 HA CYS 3 HA CYS 3 -8.797 1.117 -0.573
17 HB2 CYS 3 HB2 CYS 3 -9.810 3.526 -2.087
18 HB3 CYS 3 HB1 CYS 3 -8.380 2.592 -2.505
19 H TRP 4 HN TRP 4 -6.755 1.769 -0.152
20 HA TRP 4 HA TRP 4 -6.255 4.510 0.683
21 HB2 TRP 4 HB2 TRP 4 -5.092 3.814 2.737
22 HB3 TRP 4 HB1 TRP 4 -6.796 3.383 2.788
23 HD1 TRP 4 HD1 TRP 4 -3.314 1.842 2.742
24 HE1 TRP 4 HE1 TRP 4 -3.510 -0.672 3.258
25 HE3 TRP 4 HE3 TRP 4 -8.402 1.355 2.510
26 HZ2 TRP 4 HZ2 TRP 4 -5.547 -2.602 3.532
27 HZ3 TRP 4 HZ3 TRP 4 -9.392 -0.860 2.918
28 HH2 TRP 4 HH2 TRP 4 -7.993 -2.798 3.415
29 H ASN 5 HN ASN 5 -4.043 5.091 0.563
30 HA ASN 5 HA ASN 5 -2.528 3.359 -1.238
31 HB2 ASN 5 HB2 ASN 5 -2.065 6.242 -0.439
32 HB3 ASN 5 HB1 ASN 5 -1.093 5.345 -1.601
33 HD21 ASN 5 HD21 ASN 5 -4.067 6.988 -1.021
34 HD22 ASN 5 HD22 ASN 5 -4.645 6.953 -2.650
35 H VAL 6 HN VAL 6 -1.490 1.858 -0.034
36 HA VAL 6 HA VAL 6 0.049 2.812 2.271
37 HB VAL 6 HB VAL 6 -1.511 0.923 2.690
38 HG11 VAL 6 HG11 VAL 6 -0.926 -1.304 1.832
39 HG12 VAL 6 HG12 VAL 6 0.313 -0.562 0.819
40 HG13 VAL 6 HG13 VAL 6 -1.389 -0.184 0.550
41 HG21 VAL 6 HG21 VAL 6 1.416 0.273 3.011
42 HG22 VAL 6 HG22 VAL 6 0.095 -0.486 3.896
43 HG23 VAL 6 HG23 VAL 6 0.429 1.229 4.114
44 H CYS 7 HN CYS 7 2.212 2.591 2.362
45 HA CYS 7 HA CYS 7 3.544 1.651 -0.083
46 HB2 CYS 7 HB2 CYS 7 4.662 3.822 1.670
47 HB3 CYS 7 HB1 CYS 7 5.096 3.424 0.017
48 H VAL 8 HN VAL 8 4.688 -0.116 0.319
49 HA VAL 8 HA VAL 8 5.794 -0.476 3.021
50 HB VAL 8 HB VAL 8 5.920 -2.877 2.519
51 HG11 VAL 8 HG11 VAL 8 3.188 -1.700 2.025
52 HG12 VAL 8 HG12 VAL 8 3.919 -2.008 3.599
53 HG13 VAL 8 HG13 VAL 8 3.518 -3.354 2.534
54 HG21 VAL 8 HG21 VAL 8 4.837 -3.786 0.507
55 HG22 VAL 8 HG22 VAL 8 6.226 -2.773 0.111
56 HG23 VAL 8 HG23 VAL 8 4.590 -2.144 -0.091
57 H TYR 9 HN TYR 9 7.928 -1.614 3.091
58 HA TYR 9 HA TYR 9 9.578 -0.713 0.829
59 HB2 TYR 9 HB2 TYR 9 10.278 -0.965 3.757
60 HB3 TYR 9 HB1 TYR 9 11.464 -0.655 2.493
61 HD1 TYR 9 HD1 TYR 9 11.426 1.477 1.252
62 HD2 TYR 9 HD2 TYR 9 8.799 0.766 4.524
63 HE1 TYR 9 HE1 TYR 9 10.966 3.885 1.399
64 HE2 TYR 9 HE2 TYR 9 8.330 3.177 4.679
65 HH TYR 9 HH TYR 9 9.404 5.307 4.057
66 H ARG 10 HN ARG 10 9.931 -2.381 -0.449
67 HA ARG 10 HA ARG 10 10.428 -5.009 0.775
68 HB2 ARG 10 HB2 ARG 10 8.529 -4.931 -0.783
69 HB3 ARG 10 HB1 ARG 10 9.583 -4.322 -2.052
70 HG2 ARG 10 HG2 ARG 10 10.837 -6.402 -2.038
71 HG3 ARG 10 HG1 ARG 10 9.841 -7.008 -0.714
72 HD2 ARG 10 HD2 ARG 10 9.086 -7.939 -2.813
73 HD3 ARG 10 HD1 ARG 10 7.861 -6.862 -2.150
74 HE ARG 10 HE ARG 10 9.597 -5.540 -4.005
75 HH11 ARG 10 HH11 ARG 10 6.807 -7.644 -3.763
76 HH12 ARG 10 HH12 ARG 10 6.135 -7.145 -5.282
77 HH21 ARG 10 HH21 ARG 10 8.709 -4.882 -6.013
78 HH22 ARG 10 HH22 ARG 10 7.213 -5.570 -6.558
79 H ASN 11 HN ASN 11 12.541 -5.218 1.096
80 HA ASN 11 HA ASN 11 14.766 -5.412 0.706
81 HB2 ASN 11 HB2 ASN 11 13.749 -5.597 -2.118
82 HB3 ASN 11 HB1 ASN 11 15.474 -5.603 -1.779
83 HD21 ASN 11 HD21 ASN 11 13.082 -7.046 0.331
84 HD22 ASN 11 HD22 ASN 11 13.554 -8.684 0.052
85 H GLY 12 HN GLY 12 13.544 -2.809 0.986
86 HA2 GLY 12 HA2 GLY 12 14.839 -0.861 1.362
87 HA3 GLY 12 HA1 GLY 12 15.852 -1.301 0.001
88 H VAL 13 HN VAL 13 13.037 -1.812 -1.378
89 HA VAL 13 HA VAL 13 12.930 0.950 -2.359
90 HB VAL 13 HB VAL 13 13.327 -0.982 -3.951
91 HG11 VAL 13 HG11 VAL 13 11.362 -2.192 -4.758
92 HG12 VAL 13 HG12 VAL 13 10.404 -1.470 -3.466
93 HG13 VAL 13 HG13 VAL 13 11.731 -2.562 -3.074
94 HG21 VAL 13 HG21 VAL 13 10.988 0.833 -4.493
95 HG22 VAL 13 HG22 VAL 13 11.937 -0.017 -5.713
96 HG23 VAL 13 HG23 VAL 13 12.690 1.233 -4.721
97 H ARG 14 HN ARG 14 11.046 2.116 -2.455
98 HA ARG 14 HA ARG 14 9.002 1.313 -0.579
99 HB2 ARG 14 HB2 ARG 14 9.893 3.648 -0.693
100 HB3 ARG 14 HB1 ARG 14 9.128 3.813 -2.269
101 HG2 ARG 14 HG2 ARG 14 6.941 3.361 -1.215
102 HG3 ARG 14 HG1 ARG 14 7.741 3.327 0.358
103 HD2 ARG 14 HD2 ARG 14 6.798 5.498 0.068
104 HD3 ARG 14 HD1 ARG 14 8.548 5.644 -0.089
105 HE ARG 14 HE ARG 14 7.921 5.437 -2.628
106 HH11 ARG 14 HH11 ARG 14 6.236 7.239 -0.142
107 HH12 ARG 14 HH12 ARG 14 5.634 8.437 -1.244
108 HH21 ARG 14 HH21 ARG 14 7.127 7.021 -4.080
109 HH22 ARG 14 HH22 ARG 14 6.125 8.307 -3.477
110 H VAL 15 HN VAL 15 7.742 -0.239 -1.388
111 HA VAL 15 HA VAL 15 6.595 0.038 -4.060
112 HB VAL 15 HB VAL 15 6.298 -2.185 -2.026
113 HG11 VAL 15 HG11 VAL 15 4.378 -2.113 -3.484
114 HG12 VAL 15 HG12 VAL 15 5.396 -3.484 -3.922
115 HG13 VAL 15 HG13 VAL 15 5.420 -2.021 -4.905
116 HG21 VAL 15 HG21 VAL 15 8.564 -2.071 -2.816
117 HG22 VAL 15 HG22 VAL 15 8.018 -1.975 -4.490
118 HG23 VAL 15 HG23 VAL 15 7.766 -3.453 -3.563
119 H CYS 16 HN CYS 16 5.025 1.557 -4.002
120 HA CYS 16 HA CYS 16 3.089 1.372 -1.800
121 HB2 CYS 16 HB2 CYS 16 4.466 3.509 -2.030
122 HB3 CYS 16 HB1 CYS 16 3.536 3.824 -3.491
123 H HIS 17 HN HIS 17 1.064 0.922 -2.223
124 HA HIS 17 HA HIS 17 0.026 1.203 -4.923
125 HB2 HIS 17 HB2 HIS 17 -0.847 -1.262 -4.655
126 HB3 HIS 17 HB1 HIS 17 0.761 -0.954 -5.295
127 HD1 HIS 17 HD1 HIS 17 -0.636 -1.458 -1.770
128 HD2 HIS 17 HD2 HIS 17 2.493 -2.689 -4.213
129 HE1 HIS 17 HE1 HIS 17 0.783 -2.974 -0.347
130 HE2 HIS 17 HE2 HIS 17 2.541 -3.865 -1.910
131 H ARG 18 HN ARG 18 -2.185 1.236 -5.055
132 HA ARG 18 HA ARG 18 -3.511 2.025 -2.621
133 HB2 ARG 18 HB2 ARG 18 -3.796 3.200 -4.819
134 HB3 ARG 18 HB1 ARG 18 -4.632 1.778 -5.420
135 HG2 ARG 18 HG2 ARG 18 -6.355 2.080 -3.696
136 HG3 ARG 18 HG1 ARG 18 -5.521 3.532 -3.140
137 HD2 ARG 18 HD2 ARG 18 -5.805 4.512 -5.390
138 HD3 ARG 18 HD1 ARG 18 -6.716 3.081 -5.872
139 HE ARG 18 HE ARG 18 -7.638 4.706 -3.607
140 HH11 ARG 18 HH11 ARG 18 -8.122 3.519 -6.867
141 HH12 ARG 18 HH12 ARG 18 -9.797 3.960 -6.916
142 HH21 ARG 18 HH21 ARG 18 -9.840 5.311 -3.677
143 HH22 ARG 18 HH22 ARG 18 -10.778 4.984 -5.099
144 H ARG 19 HN ARG 19 -4.225 0.498 -1.308
145 HA ARG 19 HA ARG 19 -5.138 -2.062 -2.378
146 HB2 ARG 19 HB2 ARG 19 -3.553 -2.070 -0.489
147 HB3 ARG 19 HB1 ARG 19 -4.703 -1.162 0.478
148 HG2 ARG 19 HG2 ARG 19 -6.171 -2.979 0.648
149 HG3 ARG 19 HG1 ARG 19 -5.384 -3.845 -0.673
150 HD2 ARG 19 HD2 ARG 19 -4.061 -3.207 1.958
151 HD3 ARG 19 HD1 ARG 19 -4.861 -4.738 1.598
152 HE ARG 19 HE ARG 19 -3.113 -4.503 -0.436
153 HH11 ARG 19 HH11 ARG 19 -2.724 -4.214 3.031
154 HH12 ARG 19 HH12 ARG 19 -1.094 -4.801 3.023
155 HH21 ARG 19 HH21 ARG 19 -0.968 -5.288 -0.447
156 HH22 ARG 19 HH22 ARG 19 -0.089 -5.401 1.046
157 H CYS 20 HN CYS 20 -7.225 -2.805 -2.182
158 HA CYS 20 HA CYS 20 -9.172 -0.911 -1.069
159 HB2 CYS 20 HB2 CYS 20 -9.303 -2.279 -3.757
160 HB3 CYS 20 HB1 CYS 20 -10.673 -1.467 -3.004
161 H ASN 21 HN ASN 21 -10.508 -1.787 0.305
162 HA ASN 21 HA ASN 21 -11.050 -4.678 0.152
163 HB2 ASN 21 HB2 ASN 21 -10.887 -2.775 2.465
164 HB3 ASN 21 HB1 ASN 21 -11.899 -4.207 2.589
165 HD21 ASN 21 HD21 ASN 21 -9.023 -4.310 0.676
166 HD22 ASN 21 HD22 ASN 21 -8.088 -5.277 1.763
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -13.523 -2.873 -0.579
2 H2 GLY 1 HT2 GLY 1 -14.178 -1.757 -1.675
3 H3 GLY 1 HT3 GLY 1 -15.111 -3.055 -1.133
4 HA2 GLY 1 HA1 GLY 1 -15.831 -1.105 -0.001
5 HA3 GLY 1 HA2 GLY 1 -15.018 -2.169 1.134
6 H PHE 2 HN PHE 2 -12.919 -1.613 1.880
7 HA PHE 2 HA PHE 2 -12.472 1.253 1.852
8 HB2 PHE 2 HB2 PHE 2 -11.251 -0.988 3.463
9 HB3 PHE 2 HB1 PHE 2 -10.788 0.697 3.617
10 HD1 PHE 2 HD1 PHE 2 -12.642 2.371 4.225
11 HD2 PHE 2 HD2 PHE 2 -13.004 -1.840 4.702
12 HE1 PHE 2 HE1 PHE 2 -14.455 2.713 5.852
13 HE2 PHE 2 HE2 PHE 2 -14.818 -1.505 6.329
14 HZ PHE 2 HZ PHE 2 -15.555 0.794 6.888
15 H CYS 3 HN CYS 3 -11.084 2.160 0.504
16 HA CYS 3 HA CYS 3 -8.870 0.529 -0.556
17 HB2 CYS 3 HB2 CYS 3 -9.851 3.079 -1.812
18 HB3 CYS 3 HB1 CYS 3 -8.897 1.798 -2.541
19 H TRP 4 HN TRP 4 -6.840 1.136 0.009
20 HA TRP 4 HA TRP 4 -6.427 3.915 0.875
21 HB2 TRP 4 HB2 TRP 4 -5.116 3.193 2.801
22 HB3 TRP 4 HB1 TRP 4 -6.741 2.528 2.900
23 HD1 TRP 4 HD1 TRP 4 -3.106 1.512 2.665
24 HE1 TRP 4 HE1 TRP 4 -2.917 -1.046 2.878
25 HE3 TRP 4 HE3 TRP 4 -8.065 0.299 2.327
26 HZ2 TRP 4 HZ2 TRP 4 -4.638 -3.275 2.904
27 HZ3 TRP 4 HZ3 TRP 4 -8.706 -2.072 2.458
28 HH2 TRP 4 HH2 TRP 4 -7.025 -3.822 2.737
29 H ASN 5 HN ASN 5 -4.392 4.758 0.415
30 HA ASN 5 HA ASN 5 -2.673 3.000 -1.183
31 HB2 ASN 5 HB2 ASN 5 -1.889 4.843 -2.403
32 HB3 ASN 5 HB1 ASN 5 -3.604 5.169 -2.213
33 HD21 ASN 5 HD21 ASN 5 -4.260 6.847 -0.852
34 HD22 ASN 5 HD22 ASN 5 -3.160 8.073 -0.328
35 H VAL 6 HN VAL 6 -0.729 2.473 -0.485
36 HA VAL 6 HA VAL 6 0.426 3.956 1.757
37 HB VAL 6 HB VAL 6 -0.959 2.118 2.707
38 HG11 VAL 6 HG11 VAL 6 0.969 0.328 1.242
39 HG12 VAL 6 HG12 VAL 6 -0.759 0.498 0.921
40 HG13 VAL 6 HG13 VAL 6 -0.208 -0.203 2.444
41 HG21 VAL 6 HG21 VAL 6 0.982 2.947 3.928
42 HG22 VAL 6 HG22 VAL 6 2.012 1.778 3.103
43 HG23 VAL 6 HG23 VAL 6 0.750 1.220 4.203
44 H CYS 7 HN CYS 7 2.650 3.685 1.990
45 HA CYS 7 HA CYS 7 3.994 2.447 -0.304
46 HB2 CYS 7 HB2 CYS 7 4.962 4.591 1.599
47 HB3 CYS 7 HB1 CYS 7 5.913 3.904 0.288
48 H VAL 8 HN VAL 8 4.640 0.460 0.159
49 HA VAL 8 HA VAL 8 5.596 -0.108 2.879
50 HB VAL 8 HB VAL 8 5.322 -2.497 2.312
51 HG11 VAL 8 HG11 VAL 8 3.514 -1.319 3.418
52 HG12 VAL 8 HG12 VAL 8 2.871 -2.526 2.305
53 HG13 VAL 8 HG13 VAL 8 2.859 -0.821 1.860
54 HG21 VAL 8 HG21 VAL 8 5.653 -2.359 -0.099
55 HG22 VAL 8 HG22 VAL 8 4.140 -1.470 -0.268
56 HG23 VAL 8 HG23 VAL 8 4.121 -3.147 0.278
57 H TYR 9 HN TYR 9 7.573 -1.152 3.191
58 HA TYR 9 HA TYR 9 9.455 -0.722 1.000
59 HB2 TYR 9 HB2 TYR 9 9.915 -1.320 3.927
60 HB3 TYR 9 HB1 TYR 9 11.198 -1.091 2.742
61 HD1 TYR 9 HD1 TYR 9 11.206 1.149 1.461
62 HD2 TYR 9 HD2 TYR 9 9.055 0.520 5.077
63 HE1 TYR 9 HE1 TYR 9 11.129 3.576 1.829
64 HE2 TYR 9 HE2 TYR 9 8.975 2.949 5.455
65 HH TYR 9 HH TYR 9 10.148 4.957 4.809
66 H ARG 10 HN ARG 10 9.621 -2.353 -0.350
67 HA ARG 10 HA ARG 10 9.536 -5.092 0.734
68 HB2 ARG 10 HB2 ARG 10 7.808 -4.287 -1.010
69 HB3 ARG 10 HB1 ARG 10 9.137 -4.351 -2.157
70 HG2 ARG 10 HG2 ARG 10 8.261 -6.418 -2.482
71 HG3 ARG 10 HG1 ARG 10 9.397 -6.790 -1.186
72 HD2 ARG 10 HD2 ARG 10 6.445 -6.253 -0.891
73 HD3 ARG 10 HD1 ARG 10 7.243 -7.814 -0.739
74 HE ARG 10 HE ARG 10 8.436 -6.737 1.220
75 HH11 ARG 10 HH11 ARG 10 5.223 -5.783 0.213
76 HH12 ARG 10 HH12 ARG 10 4.734 -5.291 1.804
77 HH21 ARG 10 HH21 ARG 10 7.794 -6.081 3.322
78 HH22 ARG 10 HH22 ARG 10 6.193 -5.458 3.566
79 H ASN 11 HN ASN 11 11.647 -5.497 1.174
80 HA ASN 11 HA ASN 11 13.804 -6.090 0.816
81 HB2 ASN 11 HB2 ASN 11 12.799 -7.323 -1.130
82 HB3 ASN 11 HB1 ASN 11 13.187 -5.940 -2.142
83 HD21 ASN 11 HD21 ASN 11 14.579 -7.051 -3.450
84 HD22 ASN 11 HD22 ASN 11 16.122 -7.626 -2.924
85 H GLY 12 HN GLY 12 13.239 -3.385 1.248
86 HA2 GLY 12 HA2 GLY 12 14.703 -1.596 1.499
87 HA3 GLY 12 HA1 GLY 12 15.758 -2.324 0.299
88 H VAL 13 HN VAL 13 12.561 -2.095 -0.821
89 HA VAL 13 HA VAL 13 13.137 0.519 -2.054
90 HB VAL 13 HB VAL 13 13.299 -1.493 -3.627
91 HG11 VAL 13 HG11 VAL 13 11.188 -2.324 -4.548
92 HG12 VAL 13 HG12 VAL 13 10.306 -1.419 -3.321
93 HG13 VAL 13 HG13 VAL 13 11.376 -2.736 -2.845
94 HG21 VAL 13 HG21 VAL 13 11.376 0.730 -4.292
95 HG22 VAL 13 HG22 VAL 13 12.197 -0.301 -5.463
96 HG23 VAL 13 HG23 VAL 13 13.131 0.785 -4.438
97 H ARG 14 HN ARG 14 11.348 1.881 -2.421
98 HA ARG 14 HA ARG 14 9.168 1.402 -0.549
99 HB2 ARG 14 HB2 ARG 14 10.398 3.572 -0.562
100 HB3 ARG 14 HB1 ARG 14 9.787 3.870 -2.184
101 HG2 ARG 14 HG2 ARG 14 7.488 3.789 -1.299
102 HG3 ARG 14 HG1 ARG 14 8.149 3.592 0.324
103 HD2 ARG 14 HD2 ARG 14 7.609 5.903 0.017
104 HD3 ARG 14 HD1 ARG 14 9.366 5.743 0.016
105 HE ARG 14 HE ARG 14 8.183 5.671 -2.610
106 HH11 ARG 14 HH11 ARG 14 9.428 7.735 -0.074
107 HH12 ARG 14 HH12 ARG 14 9.794 9.045 -1.148
108 HH21 ARG 14 HH21 ARG 14 8.641 7.407 -4.027
109 HH22 ARG 14 HH22 ARG 14 9.345 8.860 -3.394
110 H VAL 15 HN VAL 15 7.584 0.195 -1.372
111 HA VAL 15 HA VAL 15 6.705 0.647 -4.133
112 HB VAL 15 HB VAL 15 5.876 -1.532 -2.205
113 HG11 VAL 15 HG11 VAL 15 4.193 -1.074 -3.908
114 HG12 VAL 15 HG12 VAL 15 4.962 -2.636 -4.189
115 HG13 VAL 15 HG13 VAL 15 5.415 -1.244 -5.171
116 HG21 VAL 15 HG21 VAL 15 7.876 -1.577 -4.458
117 HG22 VAL 15 HG22 VAL 15 7.305 -2.999 -3.583
118 HG23 VAL 15 HG23 VAL 15 8.221 -1.750 -2.737
119 H CYS 16 HN CYS 16 5.371 2.349 -4.172
120 HA CYS 16 HA CYS 16 3.318 2.627 -2.110
121 HB2 CYS 16 HB2 CYS 16 4.077 4.493 -4.366
122 HB3 CYS 16 HB1 CYS 16 2.909 4.843 -3.095
123 H HIS 17 HN HIS 17 1.385 1.796 -2.428
124 HA HIS 17 HA HIS 17 0.180 1.819 -5.063
125 HB2 HIS 17 HB2 HIS 17 -0.401 -0.648 -4.875
126 HB3 HIS 17 HB1 HIS 17 1.264 -0.271 -5.286
127 HD1 HIS 17 HD1 HIS 17 2.410 -2.283 -4.358
128 HD2 HIS 17 HD2 HIS 17 -0.110 -0.499 -1.583
129 HE1 HIS 17 HE1 HIS 17 2.859 -3.458 -2.185
130 HE2 HIS 17 HE2 HIS 17 1.182 -2.498 -0.574
131 H ARG 18 HN ARG 18 -2.086 1.407 -5.038
132 HA ARG 18 HA ARG 18 -3.262 1.819 -2.393
133 HB2 ARG 18 HB2 ARG 18 -3.839 3.506 -4.077
134 HB3 ARG 18 HB1 ARG 18 -4.486 2.248 -5.121
135 HG2 ARG 18 HG2 ARG 18 -6.266 1.796 -3.609
136 HG3 ARG 18 HG1 ARG 18 -5.552 2.819 -2.364
137 HD2 ARG 18 HD2 ARG 18 -7.380 3.985 -3.405
138 HD3 ARG 18 HD1 ARG 18 -5.867 4.773 -3.841
139 HE ARG 18 HE ARG 18 -6.054 3.533 -6.002
140 HH11 ARG 18 HH11 ARG 18 -8.906 4.287 -4.099
141 HH12 ARG 18 HH12 ARG 18 -9.977 4.234 -5.458
142 HH21 ARG 18 HH21 ARG 18 -7.461 3.484 -7.793
143 HH22 ARG 18 HH22 ARG 18 -9.160 3.775 -7.561
144 H ARG 19 HN ARG 19 -4.120 0.200 -1.404
145 HA ARG 19 HA ARG 19 -5.053 -2.116 -2.961
146 HB2 ARG 19 HB2 ARG 19 -3.257 -2.585 -1.337
147 HB3 ARG 19 HB1 ARG 19 -4.253 -1.928 -0.049
148 HG2 ARG 19 HG2 ARG 19 -5.869 -3.703 -0.347
149 HG3 ARG 19 HG1 ARG 19 -4.945 -4.341 -1.708
150 HD2 ARG 19 HD2 ARG 19 -3.866 -4.076 1.091
151 HD3 ARG 19 HD1 ARG 19 -4.587 -5.549 0.449
152 HE ARG 19 HE ARG 19 -2.545 -4.693 -1.284
153 HH11 ARG 19 HH11 ARG 19 -2.976 -6.037 1.911
154 HH12 ARG 19 HH12 ARG 19 -1.451 -6.862 1.914
155 HH21 ARG 19 HH21 ARG 19 -0.521 -5.780 -1.287
156 HH22 ARG 19 HH22 ARG 19 -0.061 -6.717 0.098
157 H CYS 20 HN CYS 20 -7.152 -2.865 -2.647
158 HA CYS 20 HA CYS 20 -8.770 -1.379 -0.720
159 HB2 CYS 20 HB2 CYS 20 -8.993 -0.354 -3.004
160 HB3 CYS 20 HB1 CYS 20 -9.670 -1.882 -3.557
161 H ASN 21 HN ASN 21 -9.683 -2.749 0.579
162 HA ASN 21 HA ASN 21 -10.626 -5.322 -0.496
163 HB2 ASN 21 HB2 ASN 21 -9.427 -4.727 2.216
164 HB3 ASN 21 HB1 ASN 21 -10.294 -6.213 1.848
165 HD21 ASN 21 HD21 ASN 21 -7.539 -5.830 2.658
166 HD22 ASN 21 HD22 ASN 21 -6.564 -6.537 1.412
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -13.980 -2.479 4.584
2 H2 GLY 1 HT2 GLY 1 -13.987 -1.997 2.965
3 H3 GLY 1 HT3 GLY 1 -14.352 -0.879 4.185
4 HA2 GLY 1 HA1 GLY 1 -12.085 -1.136 5.067
5 HA3 GLY 1 HA2 GLY 1 -11.739 -2.183 3.700
6 H PHE 2 HN PHE 2 -13.408 -0.585 1.883
7 HA PHE 2 HA PHE 2 -13.269 1.169 0.449
8 HB2 PHE 2 HB2 PHE 2 -11.883 2.430 2.806
9 HB3 PHE 2 HB1 PHE 2 -12.084 3.283 1.283
10 HD1 PHE 2 HD1 PHE 2 -14.215 4.156 0.627
11 HD2 PHE 2 HD2 PHE 2 -13.816 1.845 4.175
12 HE1 PHE 2 HE1 PHE 2 -16.463 4.861 1.336
13 HE2 PHE 2 HE2 PHE 2 -16.062 2.544 4.891
14 HZ PHE 2 HZ PHE 2 -17.381 4.097 3.460
15 H CYS 3 HN CYS 3 -11.175 2.910 -0.154
16 HA CYS 3 HA CYS 3 -9.041 1.021 -0.886
17 HB2 CYS 3 HB2 CYS 3 -9.995 3.482 -2.358
18 HB3 CYS 3 HB1 CYS 3 -8.620 2.493 -2.826
19 H TRP 4 HN TRP 4 -7.181 1.362 0.085
20 HA TRP 4 HA TRP 4 -6.414 4.123 0.745
21 HB2 TRP 4 HB2 TRP 4 -5.417 3.369 2.825
22 HB3 TRP 4 HB1 TRP 4 -7.108 2.888 2.791
23 HD1 TRP 4 HD1 TRP 4 -3.623 1.499 3.058
24 HE1 TRP 4 HE1 TRP 4 -3.728 -1.050 3.379
25 HE3 TRP 4 HE3 TRP 4 -8.581 0.765 2.060
26 HZ2 TRP 4 HZ2 TRP 4 -5.660 -3.100 3.240
27 HZ3 TRP 4 HZ3 TRP 4 -9.477 -1.524 2.180
28 HH2 TRP 4 HH2 TRP 4 -8.046 -3.415 2.755
29 H ASN 5 HN ASN 5 -4.190 4.584 0.587
30 HA ASN 5 HA ASN 5 -2.627 2.509 -0.794
31 HB2 ASN 5 HB2 ASN 5 -1.580 4.218 -2.158
32 HB3 ASN 5 HB1 ASN 5 -3.326 4.320 -2.334
33 HD21 ASN 5 HD21 ASN 5 -0.466 5.913 -1.334
34 HD22 ASN 5 HD22 ASN 5 -1.189 7.429 -0.922
35 H VAL 6 HN VAL 6 -0.671 2.065 -0.010
36 HA VAL 6 HA VAL 6 0.508 3.884 1.957
37 HB VAL 6 HB VAL 6 -0.889 2.244 3.198
38 HG11 VAL 6 HG11 VAL 6 -0.175 -0.098 3.322
39 HG12 VAL 6 HG12 VAL 6 1.002 0.206 2.044
40 HG13 VAL 6 HG13 VAL 6 -0.722 0.348 1.706
41 HG21 VAL 6 HG21 VAL 6 2.083 1.976 3.626
42 HG22 VAL 6 HG22 VAL 6 0.839 1.553 4.803
43 HG23 VAL 6 HG23 VAL 6 1.035 3.229 4.291
44 H CYS 7 HN CYS 7 2.753 3.588 2.263
45 HA CYS 7 HA CYS 7 4.037 2.181 0.032
46 HB2 CYS 7 HB2 CYS 7 5.088 4.432 1.755
47 HB3 CYS 7 HB1 CYS 7 5.930 3.703 0.393
48 H VAL 8 HN VAL 8 4.769 0.247 0.580
49 HA VAL 8 HA VAL 8 6.037 -0.072 3.220
50 HB VAL 8 HB VAL 8 5.748 -2.520 2.888
51 HG11 VAL 8 HG11 VAL 8 3.223 -0.879 2.763
52 HG12 VAL 8 HG12 VAL 8 4.146 -1.276 4.212
53 HG13 VAL 8 HG13 VAL 8 3.327 -2.552 3.310
54 HG21 VAL 8 HG21 VAL 8 5.639 -2.562 0.448
55 HG22 VAL 8 HG22 VAL 8 4.104 -1.697 0.493
56 HG23 VAL 8 HG23 VAL 8 4.215 -3.325 1.154
57 H TYR 9 HN TYR 9 8.085 -1.029 3.342
58 HA TYR 9 HA TYR 9 9.639 -0.688 0.899
59 HB2 TYR 9 HB2 TYR 9 10.538 -1.166 3.749
60 HB3 TYR 9 HB1 TYR 9 11.606 -0.853 2.384
61 HD1 TYR 9 HD1 TYR 9 11.188 1.376 1.100
62 HD2 TYR 9 HD2 TYR 9 9.800 0.609 5.047
63 HE1 TYR 9 HE1 TYR 9 11.001 3.792 1.498
64 HE2 TYR 9 HE2 TYR 9 9.609 3.027 5.455
65 HH TYR 9 HH TYR 9 9.774 5.331 2.959
66 H ARG 10 HN ARG 10 10.180 -2.343 -0.330
67 HA ARG 10 HA ARG 10 10.412 -4.989 0.931
68 HB2 ARG 10 HB2 ARG 10 9.141 -4.385 -1.745
69 HB3 ARG 10 HB1 ARG 10 9.489 -5.999 -1.143
70 HG2 ARG 10 HG2 ARG 10 8.023 -5.392 0.850
71 HG3 ARG 10 HG1 ARG 10 7.496 -4.011 -0.111
72 HD2 ARG 10 HD2 ARG 10 7.249 -6.919 -0.855
73 HD3 ARG 10 HD1 ARG 10 5.945 -5.850 -0.357
74 HE ARG 10 HE ARG 10 7.427 -5.038 -2.715
75 HH11 ARG 10 HH11 ARG 10 4.588 -6.624 -1.416
76 HH12 ARG 10 HH12 ARG 10 3.711 -6.554 -2.911
77 HH21 ARG 10 HH21 ARG 10 6.260 -4.928 -4.680
78 HH22 ARG 10 HH22 ARG 10 4.650 -5.570 -4.755
79 H ASN 11 HN ASN 11 12.455 -5.519 0.866
80 HA ASN 11 HA ASN 11 14.574 -5.901 0.169
81 HB2 ASN 11 HB2 ASN 11 13.378 -5.520 -2.585
82 HB3 ASN 11 HB1 ASN 11 15.033 -6.045 -2.292
83 HD21 ASN 11 HD21 ASN 11 15.416 -8.116 -1.547
84 HD22 ASN 11 HD22 ASN 11 14.196 -9.342 -1.533
85 H GLY 12 HN GLY 12 13.457 -3.186 0.693
86 HA2 GLY 12 HA2 GLY 12 14.877 -1.344 1.177
87 HA3 GLY 12 HA1 GLY 12 15.850 -1.759 -0.222
88 H VAL 13 HN VAL 13 12.964 -2.049 -1.537
89 HA VAL 13 HA VAL 13 13.053 0.729 -2.454
90 HB VAL 13 HB VAL 13 13.266 -1.152 -4.119
91 HG11 VAL 13 HG11 VAL 13 10.336 -1.517 -3.546
92 HG12 VAL 13 HG12 VAL 13 11.620 -2.677 -3.209
93 HG13 VAL 13 HG13 VAL 13 11.226 -2.260 -4.877
94 HG21 VAL 13 HG21 VAL 13 11.834 -0.075 -5.795
95 HG22 VAL 13 HG22 VAL 13 12.708 1.103 -4.816
96 HG23 VAL 13 HG23 VAL 13 10.999 0.795 -4.508
97 H ARG 14 HN ARG 14 11.311 2.043 -2.484
98 HA ARG 14 HA ARG 14 9.277 1.518 -0.517
99 HB2 ARG 14 HB2 ARG 14 10.297 3.706 -0.607
100 HB3 ARG 14 HB1 ARG 14 9.863 3.886 -2.298
101 HG2 ARG 14 HG2 ARG 14 7.488 3.898 -1.663
102 HG3 ARG 14 HG1 ARG 14 7.968 3.792 0.033
103 HD2 ARG 14 HD2 ARG 14 9.081 5.903 -0.079
104 HD3 ARG 14 HD1 ARG 14 8.860 5.984 -1.824
105 HE ARG 14 HE ARG 14 6.328 5.849 -0.940
106 HH11 ARG 14 HH11 ARG 14 9.027 7.863 0.000
107 HH12 ARG 14 HH12 ARG 14 8.032 9.219 0.430
108 HH21 ARG 14 HH21 ARG 14 5.011 7.624 -0.374
109 HH22 ARG 14 HH22 ARG 14 5.746 9.076 0.226
110 H VAL 15 HN VAL 15 7.731 0.146 -1.150
111 HA VAL 15 HA VAL 15 6.605 0.356 -3.840
112 HB VAL 15 HB VAL 15 6.127 -1.716 -1.687
113 HG11 VAL 15 HG11 VAL 15 4.211 -1.505 -3.174
114 HG12 VAL 15 HG12 VAL 15 5.061 -3.025 -3.463
115 HG13 VAL 15 HG13 VAL 15 5.265 -1.674 -4.578
116 HG21 VAL 15 HG21 VAL 15 7.812 -1.813 -4.186
117 HG22 VAL 15 HG22 VAL 15 7.478 -3.186 -3.129
118 HG23 VAL 15 HG23 VAL 15 8.398 -1.809 -2.521
119 H CYS 16 HN CYS 16 5.217 2.027 -3.853
120 HA CYS 16 HA CYS 16 3.216 2.254 -1.734
121 HB2 CYS 16 HB2 CYS 16 3.730 4.084 -4.092
122 HB3 CYS 16 HB1 CYS 16 2.671 4.412 -2.726
123 H HIS 17 HN HIS 17 1.400 1.141 -1.986
124 HA HIS 17 HA HIS 17 0.193 1.037 -4.645
125 HB2 HIS 17 HB2 HIS 17 -0.435 -1.389 -4.230
126 HB3 HIS 17 HB1 HIS 17 1.242 -1.073 -4.640
127 HD1 HIS 17 HD1 HIS 17 2.273 -3.073 -3.531
128 HD2 HIS 17 HD2 HIS 17 -0.133 -0.889 -0.944
129 HE1 HIS 17 HE1 HIS 17 2.659 -4.060 -1.253
130 HE2 HIS 17 HE2 HIS 17 1.034 -2.861 0.250
131 H ARG 18 HN ARG 18 -2.053 0.631 -4.678
132 HA ARG 18 HA ARG 18 -3.362 1.425 -2.169
133 HB2 ARG 18 HB2 ARG 18 -3.518 3.065 -3.999
134 HB3 ARG 18 HB1 ARG 18 -4.254 1.843 -5.026
135 HG2 ARG 18 HG2 ARG 18 -6.179 1.728 -3.568
136 HG3 ARG 18 HG1 ARG 18 -5.433 2.881 -2.459
137 HD2 ARG 18 HD2 ARG 18 -6.233 3.407 -5.318
138 HD3 ARG 18 HD1 ARG 18 -7.068 3.985 -3.878
139 HE ARG 18 HE ARG 18 -4.281 4.766 -4.408
140 HH11 ARG 18 HH11 ARG 18 -7.641 5.633 -3.938
141 HH12 ARG 18 HH12 ARG 18 -7.310 7.326 -3.761
142 HH21 ARG 18 HH21 ARG 18 -3.842 6.990 -4.195
143 HH22 ARG 18 HH22 ARG 18 -5.150 8.100 -3.927
144 H ARG 19 HN ARG 19 -4.675 0.021 -1.245
145 HA ARG 19 HA ARG 19 -5.598 -2.281 -2.834
146 HB2 ARG 19 HB2 ARG 19 -4.046 -2.751 -0.919
147 HB3 ARG 19 HB1 ARG 19 -5.272 -2.115 0.167
148 HG2 ARG 19 HG2 ARG 19 -6.821 -3.866 -0.580
149 HG3 ARG 19 HG1 ARG 19 -5.557 -4.518 -1.625
150 HD2 ARG 19 HD2 ARG 19 -5.445 -4.281 1.378
151 HD3 ARG 19 HD1 ARG 19 -5.693 -5.765 0.461
152 HE ARG 19 HE ARG 19 -3.350 -4.880 -0.514
153 HH11 ARG 19 HH11 ARG 19 -4.520 -5.343 2.747
154 HH12 ARG 19 HH12 ARG 19 -2.948 -5.680 3.401
155 HH21 ARG 19 HH21 ARG 19 -1.278 -5.331 0.339
156 HH22 ARG 19 HH22 ARG 19 -1.102 -5.653 2.038
157 H CYS 20 HN CYS 20 -7.746 -2.968 -2.608
158 HA CYS 20 HA CYS 20 -9.553 -1.047 -1.298
159 HB2 CYS 20 HB2 CYS 20 -9.885 -2.346 -4.008
160 HB3 CYS 20 HB1 CYS 20 -11.143 -1.431 -3.185
161 H ASN 21 HN ASN 21 -11.130 -1.889 -0.080
162 HA ASN 21 HA ASN 21 -11.888 -4.691 -0.455
163 HB2 ASN 21 HB2 ASN 21 -10.754 -3.500 2.031
164 HB3 ASN 21 HB1 ASN 21 -12.054 -4.674 2.196
165 HD21 ASN 21 HD21 ASN 21 -8.763 -4.159 1.267
166 HD22 ASN 21 HD22 ASN 21 -8.324 -5.825 1.134
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -15.061 0.251 -2.922
2 H2 GLY 1 HT2 GLY 1 -16.324 1.191 -2.310
3 H3 GLY 1 HT3 GLY 1 -16.468 -0.491 -2.350
4 HA2 GLY 1 HA1 GLY 1 -15.997 0.302 -0.111
5 HA3 GLY 1 HA2 GLY 1 -14.730 -0.747 -0.734
6 H PHE 2 HN PHE 2 -13.666 0.495 1.146
7 HA PHE 2 HA PHE 2 -12.818 3.178 0.455
8 HB2 PHE 2 HB2 PHE 2 -12.158 1.382 2.794
9 HB3 PHE 2 HB1 PHE 2 -11.604 3.037 2.618
10 HD1 PHE 2 HD1 PHE 2 -13.264 4.899 2.642
11 HD2 PHE 2 HD2 PHE 2 -14.318 0.889 3.590
12 HE1 PHE 2 HE1 PHE 2 -15.323 5.700 3.720
13 HE2 PHE 2 HE2 PHE 2 -16.380 1.685 4.668
14 HZ PHE 2 HZ PHE 2 -16.875 4.102 4.737
15 H CYS 3 HN CYS 3 -10.988 3.633 -0.598
16 HA CYS 3 HA CYS 3 -8.972 1.501 -0.819
17 HB2 CYS 3 HB2 CYS 3 -9.680 3.611 -2.864
18 HB3 CYS 3 HB1 CYS 3 -8.387 2.429 -3.022
19 H TRP 4 HN TRP 4 -7.017 1.949 -0.113
20 HA TRP 4 HA TRP 4 -6.206 4.760 0.142
21 HB2 TRP 4 HB2 TRP 4 -5.165 4.265 2.312
22 HB3 TRP 4 HB1 TRP 4 -6.899 3.976 2.362
23 HD1 TRP 4 HD1 TRP 4 -3.568 2.223 2.753
24 HE1 TRP 4 HE1 TRP 4 -3.967 -0.193 3.531
25 HE3 TRP 4 HE3 TRP 4 -8.636 2.000 2.129
26 HZ2 TRP 4 HZ2 TRP 4 -6.141 -1.963 3.838
27 HZ3 TRP 4 HZ3 TRP 4 -9.799 -0.094 2.694
28 HH2 TRP 4 HH2 TRP 4 -8.576 -2.032 3.528
29 H ASN 5 HN ASN 5 -3.859 5.020 0.313
30 HA ASN 5 HA ASN 5 -2.484 2.965 -1.269
31 HB2 ASN 5 HB2 ASN 5 -2.600 5.269 -2.232
32 HB3 ASN 5 HB1 ASN 5 -1.687 5.847 -0.842
33 HD21 ASN 5 HD21 ASN 5 -1.566 4.017 -3.782
34 HD22 ASN 5 HD22 ASN 5 0.156 3.922 -3.890
35 H VAL 6 HN VAL 6 -1.461 1.619 0.012
36 HA VAL 6 HA VAL 6 0.036 2.698 2.305
37 HB VAL 6 HB VAL 6 -1.691 1.080 2.968
38 HG11 VAL 6 HG11 VAL 6 -0.209 -0.823 1.179
39 HG12 VAL 6 HG12 VAL 6 -1.853 -0.224 0.955
40 HG13 VAL 6 HG13 VAL 6 -1.476 -1.285 2.315
41 HG21 VAL 6 HG21 VAL 6 0.330 1.194 4.304
42 HG22 VAL 6 HG22 VAL 6 1.113 0.009 3.260
43 HG23 VAL 6 HG23 VAL 6 -0.270 -0.464 4.246
44 H CYS 7 HN CYS 7 2.185 2.000 2.594
45 HA CYS 7 HA CYS 7 3.389 0.948 0.127
46 HB2 CYS 7 HB2 CYS 7 4.544 3.102 1.903
47 HB3 CYS 7 HB1 CYS 7 5.225 2.511 0.391
48 H VAL 8 HN VAL 8 4.970 -0.526 0.295
49 HA VAL 8 HA VAL 8 6.011 -1.133 2.983
50 HB VAL 8 HB VAL 8 6.287 -3.503 2.198
51 HG11 VAL 8 HG11 VAL 8 3.477 -2.432 2.335
52 HG12 VAL 8 HG12 VAL 8 4.489 -2.909 3.699
53 HG13 VAL 8 HG13 VAL 8 3.935 -4.123 2.543
54 HG21 VAL 8 HG21 VAL 8 4.459 -2.616 -0.034
55 HG22 VAL 8 HG22 VAL 8 4.934 -4.279 0.314
56 HG23 VAL 8 HG23 VAL 8 6.144 -3.107 -0.209
57 H TYR 9 HN TYR 9 8.203 -1.517 3.137
58 HA TYR 9 HA TYR 9 9.744 -0.677 0.810
59 HB2 TYR 9 HB2 TYR 9 10.379 -0.947 3.734
60 HB3 TYR 9 HB1 TYR 9 11.673 -0.826 2.544
61 HD1 TYR 9 HD1 TYR 9 12.287 1.274 1.641
62 HD2 TYR 9 HD2 TYR 9 8.678 0.911 3.863
63 HE1 TYR 9 HE1 TYR 9 12.059 3.724 1.663
64 HE2 TYR 9 HE2 TYR 9 8.439 3.354 3.884
65 HH TYR 9 HH TYR 9 9.768 5.339 3.664
66 H ARG 10 HN ARG 10 10.262 -2.198 -0.577
67 HA ARG 10 HA ARG 10 10.973 -4.862 0.469
68 HB2 ARG 10 HB2 ARG 10 9.958 -4.167 -2.297
69 HB3 ARG 10 HB1 ARG 10 10.303 -5.782 -1.691
70 HG2 ARG 10 HG2 ARG 10 8.526 -5.380 0.047
71 HG3 ARG 10 HG1 ARG 10 8.102 -3.922 -0.850
72 HD2 ARG 10 HD2 ARG 10 7.956 -6.779 -1.771
73 HD3 ARG 10 HD1 ARG 10 6.637 -5.627 -1.595
74 HE ARG 10 HE ARG 10 8.680 -4.891 -3.514
75 HH11 ARG 10 HH11 ARG 10 5.577 -6.422 -2.977
76 HH12 ARG 10 HH12 ARG 10 5.112 -6.351 -4.648
77 HH21 ARG 10 HH21 ARG 10 8.069 -4.788 -5.707
78 HH22 ARG 10 HH22 ARG 10 6.526 -5.414 -6.199
79 H ASN 11 HN ASN 11 13.070 -5.213 0.453
80 HA ASN 11 HA ASN 11 15.269 -5.190 -0.084
81 HB2 ASN 11 HB2 ASN 11 14.265 -6.045 -2.287
82 HB3 ASN 11 HB1 ASN 11 14.497 -4.413 -2.899
83 HD21 ASN 11 HD21 ASN 11 16.053 -7.333 -1.845
84 HD22 ASN 11 HD22 ASN 11 17.622 -6.967 -2.473
85 H GLY 12 HN GLY 12 13.746 -2.746 0.684
86 HA2 GLY 12 HA2 GLY 12 14.878 -0.836 1.538
87 HA3 GLY 12 HA1 GLY 12 15.972 -0.910 0.172
88 H VAL 13 HN VAL 13 13.318 -1.275 -1.513
89 HA VAL 13 HA VAL 13 13.002 1.599 -1.834
90 HB VAL 13 HB VAL 13 12.023 1.065 -3.990
91 HG11 VAL 13 HG11 VAL 13 14.663 -0.272 -3.497
92 HG12 VAL 13 HG12 VAL 13 14.401 1.430 -3.880
93 HG13 VAL 13 HG13 VAL 13 14.044 0.190 -5.081
94 HG21 VAL 13 HG21 VAL 13 10.990 -1.065 -3.473
95 HG22 VAL 13 HG22 VAL 13 12.586 -1.804 -3.322
96 HG23 VAL 13 HG23 VAL 13 12.036 -1.198 -4.886
97 H ARG 14 HN ARG 14 10.967 2.562 -2.054
98 HA ARG 14 HA ARG 14 8.981 1.365 -0.308
99 HB2 ARG 14 HB2 ARG 14 9.639 3.709 0.022
100 HB3 ARG 14 HB1 ARG 14 9.084 4.097 -1.600
101 HG2 ARG 14 HG2 ARG 14 6.800 3.498 -0.957
102 HG3 ARG 14 HG1 ARG 14 7.363 3.125 0.674
103 HD2 ARG 14 HD2 ARG 14 6.394 5.335 0.640
104 HD3 ARG 14 HD1 ARG 14 8.131 5.454 0.911
105 HE ARG 14 HE ARG 14 7.354 5.706 -1.853
106 HH11 ARG 14 HH11 ARG 14 7.869 7.403 1.162
107 HH12 ARG 14 HH12 ARG 14 8.129 8.939 0.403
108 HH21 ARG 14 HH21 ARG 14 7.694 7.734 -2.860
109 HH22 ARG 14 HH22 ARG 14 8.042 9.124 -1.883
110 H VAL 15 HN VAL 15 7.803 -0.122 -1.343
111 HA VAL 15 HA VAL 15 6.710 0.495 -3.992
112 HB VAL 15 HB VAL 15 6.548 -2.093 -2.435
113 HG11 VAL 15 HG11 VAL 15 6.034 -1.480 -5.341
114 HG12 VAL 15 HG12 VAL 15 4.818 -1.879 -4.127
115 HG13 VAL 15 HG13 VAL 15 6.013 -3.085 -4.611
116 HG21 VAL 15 HG21 VAL 15 8.869 -1.533 -2.899
117 HG22 VAL 15 HG22 VAL 15 8.482 -1.286 -4.601
118 HG23 VAL 15 HG23 VAL 15 8.344 -2.893 -3.891
119 H CYS 16 HN CYS 16 4.804 1.487 -4.011
120 HA CYS 16 HA CYS 16 3.054 1.201 -1.680
121 HB2 CYS 16 HB2 CYS 16 3.069 3.287 -3.865
122 HB3 CYS 16 HB1 CYS 16 1.977 3.271 -2.482
123 H HIS 17 HN HIS 17 0.962 0.549 -1.815
124 HA HIS 17 HA HIS 17 0.001 -0.334 -4.462
125 HB2 HIS 17 HB2 HIS 17 -0.247 -1.863 -1.858
126 HB3 HIS 17 HB1 HIS 17 -0.979 -2.333 -3.383
127 HD1 HIS 17 HD1 HIS 17 1.957 -2.868 -1.370
128 HD2 HIS 17 HD2 HIS 17 1.099 -2.905 -5.436
129 HE1 HIS 17 HE1 HIS 17 3.830 -4.153 -2.436
130 HE2 HIS 17 HE2 HIS 17 3.197 -4.310 -4.872
131 H ARG 18 HN ARG 18 -2.198 -0.115 -4.812
132 HA ARG 18 HA ARG 18 -3.652 1.503 -2.869
133 HB2 ARG 18 HB2 ARG 18 -3.745 2.237 -5.196
134 HB3 ARG 18 HB1 ARG 18 -4.364 0.667 -5.690
135 HG2 ARG 18 HG2 ARG 18 -6.376 1.064 -4.315
136 HG3 ARG 18 HG1 ARG 18 -5.762 2.672 -3.929
137 HD2 ARG 18 HD2 ARG 18 -6.323 1.667 -6.715
138 HD3 ARG 18 HD1 ARG 18 -7.431 2.656 -5.764
139 HE ARG 18 HE ARG 18 -5.032 4.028 -5.837
140 HH11 ARG 18 HH11 ARG 18 -7.393 2.874 -8.144
141 HH12 ARG 18 HH12 ARG 18 -7.110 4.158 -9.275
142 HH21 ARG 18 HH21 ARG 18 -4.662 5.737 -7.318
143 HH22 ARG 18 HH22 ARG 18 -5.562 5.793 -8.801
144 H ARG 19 HN ARG 19 -4.485 0.300 -1.285
145 HA ARG 19 HA ARG 19 -5.648 -2.306 -1.953
146 HB2 ARG 19 HB2 ARG 19 -3.967 -2.167 -0.117
147 HB3 ARG 19 HB1 ARG 19 -5.068 -1.120 0.765
148 HG2 ARG 19 HG2 ARG 19 -6.634 -2.857 1.070
149 HG3 ARG 19 HG1 ARG 19 -5.822 -3.893 -0.106
150 HD2 ARG 19 HD2 ARG 19 -4.645 -2.979 2.515
151 HD3 ARG 19 HD1 ARG 19 -5.368 -4.562 2.222
152 HE ARG 19 HE ARG 19 -3.439 -4.310 0.294
153 HH11 ARG 19 HH11 ARG 19 -3.455 -4.094 3.784
154 HH12 ARG 19 HH12 ARG 19 -1.852 -4.739 3.959
155 HH21 ARG 19 HH21 ARG 19 -1.333 -5.166 0.516
156 HH22 ARG 19 HH22 ARG 19 -0.643 -5.340 2.099
157 H CYS 20 HN CYS 20 -7.777 -2.754 -1.670
158 HA CYS 20 HA CYS 20 -9.483 -0.514 -0.822
159 HB2 CYS 20 HB2 CYS 20 -9.926 -2.424 -3.120
160 HB3 CYS 20 HB1 CYS 20 -11.125 -1.277 -2.536
161 H ASN 21 HN ASN 21 -11.125 -0.948 0.499
162 HA ASN 21 HA ASN 21 -12.030 -3.700 0.879
163 HB2 ASN 21 HB2 ASN 21 -10.291 -3.226 2.619
164 HB3 ASN 21 HB1 ASN 21 -11.278 -1.889 3.188
165 HD21 ASN 21 HD21 ASN 21 -10.382 -4.263 4.575
166 HD22 ASN 21 HD22 ASN 21 -11.806 -5.064 5.145
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -16.539 0.654 1.666
2 H2 GLY 1 HT2 GLY 1 -17.567 -0.144 0.590
3 H3 GLY 1 HT3 GLY 1 -17.289 1.515 0.421
4 HA2 GLY 1 HA1 GLY 1 -15.259 -0.618 0.076
5 HA3 GLY 1 HA2 GLY 1 -16.057 0.250 -1.230
6 H PHE 2 HN PHE 2 -13.465 0.240 0.974
7 HA PHE 2 HA PHE 2 -12.828 3.046 0.315
8 HB2 PHE 2 HB2 PHE 2 -11.675 1.345 2.536
9 HB3 PHE 2 HB1 PHE 2 -11.323 3.040 2.237
10 HD1 PHE 2 HD1 PHE 2 -13.244 4.700 2.423
11 HD2 PHE 2 HD2 PHE 2 -13.432 0.725 3.926
12 HE1 PHE 2 HE1 PHE 2 -15.092 5.353 3.908
13 HE2 PHE 2 HE2 PHE 2 -15.283 1.372 5.412
14 HZ PHE 2 HZ PHE 2 -16.113 3.687 5.404
15 H CYS 3 HN CYS 3 -10.486 3.484 -0.015
16 HA CYS 3 HA CYS 3 -8.835 1.204 -0.715
17 HB2 CYS 3 HB2 CYS 3 -9.458 3.376 -2.731
18 HB3 CYS 3 HB1 CYS 3 -8.193 2.175 -2.914
19 H TRP 4 HN TRP 4 -6.695 1.581 -0.362
20 HA TRP 4 HA TRP 4 -5.805 4.331 0.048
21 HB2 TRP 4 HB2 TRP 4 -4.817 3.849 2.217
22 HB3 TRP 4 HB1 TRP 4 -6.540 3.500 2.272
23 HD1 TRP 4 HD1 TRP 4 -3.182 1.937 2.833
24 HE1 TRP 4 HE1 TRP 4 -3.458 -0.522 3.530
25 HE3 TRP 4 HE3 TRP 4 -8.164 1.350 1.807
26 HZ2 TRP 4 HZ2 TRP 4 -5.506 -2.456 3.626
27 HZ3 TRP 4 HZ3 TRP 4 -9.198 -0.845 2.226
28 HH2 TRP 4 HH2 TRP 4 -7.889 -2.706 3.112
29 H ASN 5 HN ASN 5 -3.690 4.661 -0.509
30 HA ASN 5 HA ASN 5 -2.268 2.304 -1.514
31 HB2 ASN 5 HB2 ASN 5 -0.826 3.965 -2.738
32 HB3 ASN 5 HB1 ASN 5 -2.510 3.937 -3.239
33 HD21 ASN 5 HD21 ASN 5 -3.833 5.687 -2.741
34 HD22 ASN 5 HD22 ASN 5 -3.185 7.223 -2.279
35 H VAL 6 HN VAL 6 -1.191 1.446 0.117
36 HA VAL 6 HA VAL 6 0.260 3.186 1.969
37 HB VAL 6 HB VAL 6 -1.223 1.419 2.903
38 HG11 VAL 6 HG11 VAL 6 0.769 -0.453 1.651
39 HG12 VAL 6 HG12 VAL 6 -0.939 -0.298 1.237
40 HG13 VAL 6 HG13 VAL 6 -0.469 -0.924 2.817
41 HG21 VAL 6 HG21 VAL 6 0.395 0.530 4.535
42 HG22 VAL 6 HG22 VAL 6 0.599 2.258 4.251
43 HG23 VAL 6 HG23 VAL 6 1.713 1.104 3.515
44 H CYS 7 HN CYS 7 2.454 3.063 2.255
45 HA CYS 7 HA CYS 7 3.914 1.751 0.079
46 HB2 CYS 7 HB2 CYS 7 4.315 4.255 1.602
47 HB3 CYS 7 HB1 CYS 7 5.772 3.361 1.187
48 H VAL 8 HN VAL 8 5.124 0.064 0.458
49 HA VAL 8 HA VAL 8 6.060 -0.404 3.216
50 HB VAL 8 HB VAL 8 6.025 -2.822 2.731
51 HG11 VAL 8 HG11 VAL 8 3.381 -1.435 2.325
52 HG12 VAL 8 HG12 VAL 8 4.129 -1.843 3.870
53 HG13 VAL 8 HG13 VAL 8 3.584 -3.124 2.787
54 HG21 VAL 8 HG21 VAL 8 6.262 -2.729 0.303
55 HG22 VAL 8 HG22 VAL 8 4.648 -2.032 0.163
56 HG23 VAL 8 HG23 VAL 8 4.848 -3.677 0.765
57 H TYR 9 HN TYR 9 8.127 -1.493 3.376
58 HA TYR 9 HA TYR 9 9.902 -0.691 1.210
59 HB2 TYR 9 HB2 TYR 9 10.478 -1.703 4.001
60 HB3 TYR 9 HB1 TYR 9 11.718 -1.275 2.824
61 HD1 TYR 9 HD1 TYR 9 11.601 1.146 1.871
62 HD2 TYR 9 HD2 TYR 9 9.664 -0.090 5.451
63 HE1 TYR 9 HE1 TYR 9 11.499 3.488 2.616
64 HE2 TYR 9 HE2 TYR 9 9.555 2.249 6.205
65 HH TYR 9 HH TYR 9 10.132 4.872 4.151
66 H ARG 10 HN ARG 10 9.836 -2.116 -0.385
67 HA ARG 10 HA ARG 10 10.104 -4.974 0.283
68 HB2 ARG 10 HB2 ARG 10 8.037 -4.378 -0.938
69 HB3 ARG 10 HB1 ARG 10 9.007 -3.699 -2.239
70 HG2 ARG 10 HG2 ARG 10 9.967 -5.916 -2.663
71 HG3 ARG 10 HG1 ARG 10 8.963 -6.586 -1.377
72 HD2 ARG 10 HD2 ARG 10 7.917 -7.009 -3.504
73 HD3 ARG 10 HD1 ARG 10 6.955 -5.843 -2.601
74 HE ARG 10 HE ARG 10 8.792 -4.531 -4.321
75 HH11 ARG 10 HH11 ARG 10 5.764 -6.291 -4.347
76 HH12 ARG 10 HH12 ARG 10 5.182 -5.514 -5.788
77 HH21 ARG 10 HH21 ARG 10 8.030 -3.509 -6.218
78 HH22 ARG 10 HH22 ARG 10 6.473 -3.939 -6.854
79 H ASN 11 HN ASN 11 12.205 -5.447 0.223
80 HA ASN 11 HA ASN 11 14.344 -5.679 -0.491
81 HB2 ASN 11 HB2 ASN 11 13.015 -5.176 -3.152
82 HB3 ASN 11 HB1 ASN 11 14.738 -5.501 -3.006
83 HD21 ASN 11 HD21 ASN 11 15.429 -7.535 -2.397
84 HD22 ASN 11 HD22 ASN 11 14.390 -8.915 -2.440
85 H GLY 12 HN GLY 12 13.567 -3.198 0.572
86 HA2 GLY 12 HA2 GLY 12 15.035 -1.430 1.064
87 HA3 GLY 12 HA1 GLY 12 15.794 -1.650 -0.502
88 H VAL 13 HN VAL 13 12.817 -1.656 -1.547
89 HA VAL 13 HA VAL 13 12.902 1.242 -1.969
90 HB VAL 13 HB VAL 13 12.937 -0.337 -3.942
91 HG11 VAL 13 HG11 VAL 13 10.795 -1.236 -4.713
92 HG12 VAL 13 HG12 VAL 13 10.050 -0.728 -3.198
93 HG13 VAL 13 HG13 VAL 13 11.312 -1.960 -3.190
94 HG21 VAL 13 HG21 VAL 13 11.434 1.044 -5.294
95 HG22 VAL 13 HG22 VAL 13 12.405 2.020 -4.192
96 HG23 VAL 13 HG23 VAL 13 10.713 1.691 -3.821
97 H ARG 14 HN ARG 14 11.193 2.572 -1.592
98 HA ARG 14 HA ARG 14 9.093 1.551 0.145
99 HB2 ARG 14 HB2 ARG 14 10.317 3.615 0.745
100 HB3 ARG 14 HB1 ARG 14 9.753 4.374 -0.733
101 HG2 ARG 14 HG2 ARG 14 7.476 4.304 0.048
102 HG3 ARG 14 HG1 ARG 14 7.968 3.414 1.491
103 HD2 ARG 14 HD2 ARG 14 7.628 5.808 1.948
104 HD3 ARG 14 HD1 ARG 14 9.290 5.301 2.242
105 HE ARG 14 HE ARG 14 9.052 6.285 -0.389
106 HH11 ARG 14 HH11 ARG 14 9.093 7.394 2.931
107 HH12 ARG 14 HH12 ARG 14 9.684 8.971 2.527
108 HH21 ARG 14 HH21 ARG 14 9.852 8.358 -0.919
109 HH22 ARG 14 HH22 ARG 14 10.142 9.514 0.341
110 H VAL 15 HN VAL 15 7.554 0.544 -1.014
111 HA VAL 15 HA VAL 15 6.644 1.817 -3.507
112 HB VAL 15 HB VAL 15 7.765 -0.259 -3.958
113 HG11 VAL 15 HG11 VAL 15 6.958 -2.399 -3.075
114 HG12 VAL 15 HG12 VAL 15 5.835 -1.521 -2.034
115 HG13 VAL 15 HG13 VAL 15 7.574 -1.329 -1.815
116 HG21 VAL 15 HG21 VAL 15 5.992 -1.513 -5.098
117 HG22 VAL 15 HG22 VAL 15 5.865 0.226 -5.367
118 HG23 VAL 15 HG23 VAL 15 4.783 -0.570 -4.223
119 H CYS 16 HN CYS 16 4.594 2.459 -3.627
120 HA CYS 16 HA CYS 16 2.793 1.754 -1.447
121 HB2 CYS 16 HB2 CYS 16 2.878 3.963 -3.445
122 HB3 CYS 16 HB1 CYS 16 1.324 3.513 -2.762
123 H HIS 17 HN HIS 17 1.089 0.504 -1.620
124 HA HIS 17 HA HIS 17 0.188 -0.308 -4.312
125 HB2 HIS 17 HB2 HIS 17 0.075 -1.962 -1.782
126 HB3 HIS 17 HB1 HIS 17 -0.458 -2.468 -3.378
127 HD1 HIS 17 HD1 HIS 17 2.413 -2.492 -1.168
128 HD2 HIS 17 HD2 HIS 17 1.757 -2.746 -5.258
129 HE1 HIS 17 HE1 HIS 17 4.532 -3.431 -2.130
130 HE2 HIS 17 HE2 HIS 17 4.000 -3.815 -4.565
131 H ARG 18 HN ARG 18 -1.966 -0.167 -4.697
132 HA ARG 18 HA ARG 18 -3.563 1.179 -2.679
133 HB2 ARG 18 HB2 ARG 18 -3.672 2.051 -4.950
134 HB3 ARG 18 HB1 ARG 18 -4.184 0.482 -5.555
135 HG2 ARG 18 HG2 ARG 18 -6.246 0.657 -4.219
136 HG3 ARG 18 HG1 ARG 18 -5.734 2.255 -3.677
137 HD2 ARG 18 HD2 ARG 18 -5.931 3.164 -5.836
138 HD3 ARG 18 HD1 ARG 18 -6.017 1.571 -6.587
139 HE ARG 18 HE ARG 18 -8.216 1.357 -5.398
140 HH11 ARG 18 HH11 ARG 18 -6.934 4.511 -6.247
141 HH12 ARG 18 HH12 ARG 18 -8.500 5.235 -6.398
142 HH21 ARG 18 HH21 ARG 18 -10.270 2.316 -5.599
143 HH22 ARG 18 HH22 ARG 18 -10.398 3.992 -6.029
144 H ARG 19 HN ARG 19 -4.260 -0.191 -1.170
145 HA ARG 19 HA ARG 19 -5.530 -2.699 -1.979
146 HB2 ARG 19 HB2 ARG 19 -4.868 -1.524 0.725
147 HB3 ARG 19 HB1 ARG 19 -5.812 -2.992 0.524
148 HG2 ARG 19 HG2 ARG 19 -3.944 -4.061 -0.589
149 HG3 ARG 19 HG1 ARG 19 -2.989 -2.588 -0.422
150 HD2 ARG 19 HD2 ARG 19 -2.385 -4.166 1.307
151 HD3 ARG 19 HD1 ARG 19 -3.187 -2.771 2.023
152 HE ARG 19 HE ARG 19 -5.192 -4.587 1.614
153 HH11 ARG 19 HH11 ARG 19 -2.142 -4.616 3.321
154 HH12 ARG 19 HH12 ARG 19 -2.669 -5.762 4.510
155 HH21 ARG 19 HH21 ARG 19 -5.904 -6.083 3.189
156 HH22 ARG 19 HH22 ARG 19 -4.812 -6.597 4.437
157 H CYS 20 HN CYS 20 -7.719 -3.107 -1.580
158 HA CYS 20 HA CYS 20 -9.302 -0.731 -0.912
159 HB2 CYS 20 HB2 CYS 20 -9.722 -2.661 -3.189
160 HB3 CYS 20 HB1 CYS 20 -10.978 -1.565 -2.622
161 H ASN 21 HN ASN 21 -11.038 -1.007 0.330
162 HA ASN 21 HA ASN 21 -11.364 -3.633 1.583
163 HB2 ASN 21 HB2 ASN 21 -10.924 -1.706 3.062
164 HB3 ASN 21 HB1 ASN 21 -12.350 -0.894 2.427
165 HD21 ASN 21 HD21 ASN 21 -12.081 -4.313 3.195
166 HD22 ASN 21 HD22 ASN 21 -13.226 -4.294 4.491
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -11.549 0.359 5.918
2 H2 GLY 1 HT2 GLY 1 -10.977 -0.819 4.858
3 H3 GLY 1 HT3 GLY 1 -12.258 -1.175 5.905
4 HA2 GLY 1 HA1 GLY 1 -13.086 -0.819 3.676
5 HA3 GLY 1 HA2 GLY 1 -13.673 0.415 4.782
6 H PHE 2 HN PHE 2 -13.824 1.034 2.222
7 HA PHE 2 HA PHE 2 -13.337 2.642 0.704
8 HB2 PHE 2 HB2 PHE 2 -11.630 3.647 2.979
9 HB3 PHE 2 HB1 PHE 2 -11.812 4.523 1.464
10 HD1 PHE 2 HD1 PHE 2 -13.806 5.739 0.973
11 HD2 PHE 2 HD2 PHE 2 -13.545 3.344 4.479
12 HE1 PHE 2 HE1 PHE 2 -15.852 6.797 1.843
13 HE2 PHE 2 HE2 PHE 2 -15.590 4.392 5.353
14 HZ PHE 2 HZ PHE 2 -16.766 6.111 4.002
15 H CYS 3 HN CYS 3 -11.024 3.893 -0.088
16 HA CYS 3 HA CYS 3 -9.315 1.603 -0.794
17 HB2 CYS 3 HB2 CYS 3 -9.385 4.211 -2.288
18 HB3 CYS 3 HB1 CYS 3 -8.826 2.642 -2.845
19 H TRP 4 HN TRP 4 -7.313 1.588 0.057
20 HA TRP 4 HA TRP 4 -6.187 4.185 0.867
21 HB2 TRP 4 HB2 TRP 4 -5.142 3.102 2.795
22 HB3 TRP 4 HB1 TRP 4 -6.892 2.947 2.853
23 HD1 TRP 4 HD1 TRP 4 -3.722 0.909 2.779
24 HE1 TRP 4 HE1 TRP 4 -4.303 -1.589 3.004
25 HE3 TRP 4 HE3 TRP 4 -8.786 1.198 2.142
26 HZ2 TRP 4 HZ2 TRP 4 -6.606 -3.215 2.924
27 HZ3 TRP 4 HZ3 TRP 4 -10.105 -0.878 2.236
28 HH2 TRP 4 HH2 TRP 4 -9.035 -3.040 2.613
29 H ASN 5 HN ASN 5 -4.124 4.585 0.357
30 HA ASN 5 HA ASN 5 -2.740 2.577 -1.268
31 HB2 ASN 5 HB2 ASN 5 -3.131 4.843 -2.251
32 HB3 ASN 5 HB1 ASN 5 -2.132 5.520 -0.972
33 HD21 ASN 5 HD21 ASN 5 -0.671 6.337 -2.472
34 HD22 ASN 5 HD22 ASN 5 0.446 5.316 -3.307
35 H VAL 6 HN VAL 6 -1.568 1.326 0.006
36 HA VAL 6 HA VAL 6 -0.111 2.515 2.258
37 HB VAL 6 HB VAL 6 -1.578 0.568 2.742
38 HG11 VAL 6 HG11 VAL 6 -0.895 -1.670 2.012
39 HG12 VAL 6 HG12 VAL 6 0.348 -0.940 0.993
40 HG13 VAL 6 HG13 VAL 6 -1.357 -0.635 0.660
41 HG21 VAL 6 HG21 VAL 6 1.369 0.089 3.158
42 HG22 VAL 6 HG22 VAL 6 0.071 -0.732 4.027
43 HG23 VAL 6 HG23 VAL 6 0.290 1.009 4.209
44 H CYS 7 HN CYS 7 2.124 2.180 2.490
45 HA CYS 7 HA CYS 7 3.470 1.333 0.022
46 HB2 CYS 7 HB2 CYS 7 4.139 3.714 1.754
47 HB3 CYS 7 HB1 CYS 7 5.141 3.133 0.429
48 H VAL 8 HN VAL 8 4.658 -0.374 0.374
49 HA VAL 8 HA VAL 8 5.911 -0.725 3.014
50 HB VAL 8 HB VAL 8 6.134 -3.108 2.433
51 HG11 VAL 8 HG11 VAL 8 3.754 -3.698 2.565
52 HG12 VAL 8 HG12 VAL 8 3.331 -2.032 2.170
53 HG13 VAL 8 HG13 VAL 8 4.182 -2.395 3.673
54 HG21 VAL 8 HG21 VAL 8 6.274 -2.918 0.010
55 HG22 VAL 8 HG22 VAL 8 4.594 -2.381 -0.059
56 HG23 VAL 8 HG23 VAL 8 4.975 -4.019 0.472
57 H TYR 9 HN TYR 9 8.036 -2.046 2.803
58 HA TYR 9 HA TYR 9 9.596 -0.824 0.634
59 HB2 TYR 9 HB2 TYR 9 10.364 -1.412 3.488
60 HB3 TYR 9 HB1 TYR 9 11.556 -1.058 2.239
61 HD1 TYR 9 HD1 TYR 9 11.752 1.183 1.310
62 HD2 TYR 9 HD2 TYR 9 8.862 0.310 4.305
63 HE1 TYR 9 HE1 TYR 9 11.442 3.590 1.702
64 HE2 TYR 9 HE2 TYR 9 8.542 2.711 4.704
65 HH TYR 9 HH TYR 9 9.708 5.102 2.613
66 H ARG 10 HN ARG 10 10.737 -2.063 -0.654
67 HA ARG 10 HA ARG 10 10.945 -4.931 -0.017
68 HB2 ARG 10 HB2 ARG 10 9.374 -4.503 -1.856
69 HB3 ARG 10 HB1 ARG 10 10.606 -3.581 -2.705
70 HG2 ARG 10 HG2 ARG 10 11.981 -5.647 -2.822
71 HG3 ARG 10 HG1 ARG 10 10.619 -6.531 -2.131
72 HD2 ARG 10 HD2 ARG 10 10.543 -4.936 -4.689
73 HD3 ARG 10 HD1 ARG 10 10.711 -6.686 -4.593
74 HE ARG 10 HE ARG 10 8.454 -6.318 -3.231
75 HH11 ARG 10 HH11 ARG 10 9.505 -5.001 -6.300
76 HH12 ARG 10 HH12 ARG 10 7.896 -4.868 -6.938
77 HH21 ARG 10 HH21 ARG 10 6.333 -6.135 -4.067
78 HH22 ARG 10 HH22 ARG 10 6.091 -5.503 -5.665
79 H ASN 11 HN ASN 11 12.988 -4.990 0.775
80 HA ASN 11 HA ASN 11 15.249 -4.950 0.850
81 HB2 ASN 11 HB2 ASN 11 14.846 -5.004 -2.139
82 HB3 ASN 11 HB1 ASN 11 16.442 -5.063 -1.404
83 HD21 ASN 11 HD21 ASN 11 17.066 -6.879 -0.261
84 HD22 ASN 11 HD22 ASN 11 16.219 -8.382 -0.385
85 H GLY 12 HN GLY 12 13.925 -2.469 1.140
86 HA2 GLY 12 HA2 GLY 12 15.078 -0.485 1.772
87 HA3 GLY 12 HA1 GLY 12 16.208 -0.755 0.460
88 H VAL 13 HN VAL 13 13.714 -1.297 -1.312
89 HA VAL 13 HA VAL 13 13.337 1.550 -1.927
90 HB VAL 13 HB VAL 13 14.190 -0.026 -3.704
91 HG11 VAL 13 HG11 VAL 13 11.360 -1.045 -3.658
92 HG12 VAL 13 HG12 VAL 13 12.809 -1.955 -3.236
93 HG13 VAL 13 HG13 VAL 13 12.563 -1.411 -4.894
94 HG21 VAL 13 HG21 VAL 13 11.646 1.485 -4.260
95 HG22 VAL 13 HG22 VAL 13 12.784 0.931 -5.489
96 HG23 VAL 13 HG23 VAL 13 13.288 2.129 -4.295
97 H ARG 14 HN ARG 14 11.273 2.458 -2.188
98 HA ARG 14 HA ARG 14 9.251 1.132 -0.593
99 HB2 ARG 14 HB2 ARG 14 9.801 3.551 -0.290
100 HB3 ARG 14 HB1 ARG 14 9.131 3.858 -1.887
101 HG2 ARG 14 HG2 ARG 14 6.955 3.064 -1.150
102 HG3 ARG 14 HG1 ARG 14 7.616 2.704 0.446
103 HD2 ARG 14 HD2 ARG 14 6.487 4.787 0.605
104 HD3 ARG 14 HD1 ARG 14 8.214 5.128 0.642
105 HE ARG 14 HE ARG 14 7.236 5.303 -2.010
106 HH11 ARG 14 HH11 ARG 14 7.250 7.008 1.045
107 HH12 ARG 14 HH12 ARG 14 6.976 8.565 0.332
108 HH21 ARG 14 HH21 ARG 14 6.871 7.360 -2.965
109 HH22 ARG 14 HH22 ARG 14 6.764 8.764 -1.950
110 H VAL 15 HN VAL 15 7.615 0.027 -1.367
111 HA VAL 15 HA VAL 15 6.779 0.478 -4.159
112 HB VAL 15 HB VAL 15 6.738 -2.165 -2.683
113 HG11 VAL 15 HG11 VAL 15 6.080 -1.495 -5.548
114 HG12 VAL 15 HG12 VAL 15 4.931 -1.966 -4.296
115 HG13 VAL 15 HG13 VAL 15 6.141 -3.117 -4.860
116 HG21 VAL 15 HG21 VAL 15 9.019 -1.536 -3.220
117 HG22 VAL 15 HG22 VAL 15 8.560 -1.217 -4.892
118 HG23 VAL 15 HG23 VAL 15 8.490 -2.861 -4.257
119 H CYS 16 HN CYS 16 4.869 1.466 -4.099
120 HA CYS 16 HA CYS 16 3.142 1.097 -1.786
121 HB2 CYS 16 HB2 CYS 16 2.943 3.043 -4.085
122 HB3 CYS 16 HB1 CYS 16 1.902 3.032 -2.666
123 H HIS 17 HN HIS 17 1.015 0.466 -1.874
124 HA HIS 17 HA HIS 17 -0.011 -0.566 -4.427
125 HB2 HIS 17 HB2 HIS 17 -0.151 -2.083 -1.811
126 HB3 HIS 17 HB1 HIS 17 -0.845 -2.594 -3.340
127 HD1 HIS 17 HD1 HIS 17 2.085 -3.004 -1.290
128 HD2 HIS 17 HD2 HIS 17 1.278 -3.086 -5.366
129 HE1 HIS 17 HE1 HIS 17 4.028 -4.203 -2.337
130 HE2 HIS 17 HE2 HIS 17 3.403 -4.429 -4.769
131 H ARG 18 HN ARG 18 -2.161 -0.185 -4.703
132 HA ARG 18 HA ARG 18 -3.484 1.249 -2.509
133 HB2 ARG 18 HB2 ARG 18 -3.109 2.455 -4.700
134 HB3 ARG 18 HB1 ARG 18 -4.245 1.326 -5.428
135 HG2 ARG 18 HG2 ARG 18 -6.008 2.102 -3.963
136 HG3 ARG 18 HG1 ARG 18 -4.877 3.178 -3.139
137 HD2 ARG 18 HD2 ARG 18 -4.505 4.358 -5.280
138 HD3 ARG 18 HD1 ARG 18 -5.723 3.328 -6.030
139 HE ARG 18 HE ARG 18 -6.571 4.833 -3.689
140 HH11 ARG 18 HH11 ARG 18 -6.444 4.638 -7.181
141 HH12 ARG 18 HH12 ARG 18 -7.738 5.769 -7.420
142 HH21 ARG 18 HH21 ARG 18 -8.292 6.323 -4.002
143 HH22 ARG 18 HH22 ARG 18 -8.785 6.729 -5.617
144 H ARG 19 HN ARG 19 -4.716 -0.077 -1.388
145 HA ARG 19 HA ARG 19 -6.227 -2.160 -2.817
146 HB2 ARG 19 HB2 ARG 19 -4.632 -2.918 -1.056
147 HB3 ARG 19 HB1 ARG 19 -5.550 -2.000 0.127
148 HG2 ARG 19 HG2 ARG 19 -7.495 -3.386 -0.254
149 HG3 ARG 19 HG1 ARG 19 -6.642 -4.269 -1.522
150 HD2 ARG 19 HD2 ARG 19 -5.733 -4.141 1.347
151 HD3 ARG 19 HD1 ARG 19 -6.739 -5.433 0.693
152 HE ARG 19 HE ARG 19 -4.437 -5.167 -0.899
153 HH11 ARG 19 HH11 ARG 19 -5.368 -6.192 2.319
154 HH12 ARG 19 HH12 ARG 19 -4.075 -7.342 2.462
155 HH21 ARG 19 HH21 ARG 19 -2.734 -6.692 -0.709
156 HH22 ARG 19 HH22 ARG 19 -2.588 -7.629 0.744
157 H CYS 20 HN CYS 20 -8.449 -2.258 -2.592
158 HA CYS 20 HA CYS 20 -9.684 -0.263 -0.841
159 HB2 CYS 20 HB2 CYS 20 -9.484 0.635 -3.181
160 HB3 CYS 20 HB1 CYS 20 -10.532 -0.676 -3.709
161 H ASN 21 HN ASN 21 -11.377 -0.979 0.239
162 HA ASN 21 HA ASN 21 -12.887 -3.276 -0.746
163 HB2 ASN 21 HB2 ASN 21 -11.300 -3.206 1.790
164 HB3 ASN 21 HB1 ASN 21 -12.827 -4.079 1.765
165 HD21 ASN 21 HD21 ASN 21 -9.573 -3.961 0.583
166 HD22 ASN 21 HD22 ASN 21 -9.548 -5.548 -0.099
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -14.201 -2.183 0.066
2 H2 GLY 1 HT2 GLY 1 -14.327 -1.932 -1.604
3 H3 GLY 1 HT3 GLY 1 -15.552 -2.751 -0.782
4 HA2 GLY 1 HA1 GLY 1 -16.287 -0.536 -1.247
5 HA3 GLY 1 HA2 GLY 1 -16.058 -0.742 0.483
6 H PHE 2 HN PHE 2 -13.633 -0.266 1.133
7 HA PHE 2 HA PHE 2 -13.018 2.342 -0.039
8 HB2 PHE 2 HB2 PHE 2 -11.876 2.789 2.119
9 HB3 PHE 2 HB1 PHE 2 -13.598 2.515 2.291
10 HD1 PHE 2 HD1 PHE 2 -10.276 1.422 3.179
11 HD2 PHE 2 HD2 PHE 2 -14.394 0.355 3.231
12 HE1 PHE 2 HE1 PHE 2 -9.810 -0.279 4.893
13 HE2 PHE 2 HE2 PHE 2 -13.934 -1.351 4.941
14 HZ PHE 2 HZ PHE 2 -11.641 -1.669 5.777
15 H CYS 3 HN CYS 3 -10.812 2.933 -0.314
16 HA CYS 3 HA CYS 3 -8.919 0.694 -0.436
17 HB2 CYS 3 HB2 CYS 3 -9.320 2.719 -2.647
18 HB3 CYS 3 HB1 CYS 3 -8.161 1.398 -2.643
19 H TRP 4 HN TRP 4 -6.709 1.321 -0.306
20 HA TRP 4 HA TRP 4 -6.165 4.137 0.241
21 HB2 TRP 4 HB2 TRP 4 -5.020 3.633 2.346
22 HB3 TRP 4 HB1 TRP 4 -6.713 3.165 2.433
23 HD1 TRP 4 HD1 TRP 4 -3.213 1.762 2.689
24 HE1 TRP 4 HE1 TRP 4 -3.331 -0.726 3.335
25 HE3 TRP 4 HE3 TRP 4 -8.238 1.004 2.097
26 HZ2 TRP 4 HZ2 TRP 4 -5.291 -2.739 3.555
27 HZ3 TRP 4 HZ3 TRP 4 -9.152 -1.235 2.544
28 HH2 TRP 4 HH2 TRP 4 -7.707 -3.068 3.259
29 H ASN 5 HN ASN 5 -4.069 4.754 -0.183
30 HA ASN 5 HA ASN 5 -2.344 2.731 -1.419
31 HB2 ASN 5 HB2 ASN 5 -2.751 4.799 -2.711
32 HB3 ASN 5 HB1 ASN 5 -2.097 5.748 -1.383
33 HD21 ASN 5 HD21 ASN 5 -1.362 3.661 -4.044
34 HD22 ASN 5 HD22 ASN 5 0.349 3.907 -4.029
35 H VAL 6 HN VAL 6 -0.874 1.814 -0.175
36 HA VAL 6 HA VAL 6 0.144 3.348 2.124
37 HB VAL 6 HB VAL 6 -1.233 1.381 2.766
38 HG11 VAL 6 HG11 VAL 6 0.948 -0.188 1.415
39 HG12 VAL 6 HG12 VAL 6 -0.746 -0.097 0.926
40 HG13 VAL 6 HG13 VAL 6 -0.308 -0.874 2.448
41 HG21 VAL 6 HG21 VAL 6 1.686 1.203 3.495
42 HG22 VAL 6 HG22 VAL 6 0.367 0.433 4.376
43 HG23 VAL 6 HG23 VAL 6 0.463 2.192 4.293
44 H CYS 7 HN CYS 7 2.322 3.268 2.575
45 HA CYS 7 HA CYS 7 4.001 2.355 0.338
46 HB2 CYS 7 HB2 CYS 7 4.476 4.604 2.304
47 HB3 CYS 7 HB1 CYS 7 5.583 4.122 1.024
48 H VAL 8 HN VAL 8 4.918 0.491 0.858
49 HA VAL 8 HA VAL 8 6.104 0.231 3.545
50 HB VAL 8 HB VAL 8 5.916 -2.214 3.279
51 HG11 VAL 8 HG11 VAL 8 4.188 -1.012 4.484
52 HG12 VAL 8 HG12 VAL 8 3.494 -2.375 3.606
53 HG13 VAL 8 HG13 VAL 8 3.307 -0.736 2.982
54 HG21 VAL 8 HG21 VAL 8 4.442 -3.112 1.498
55 HG22 VAL 8 HG22 VAL 8 5.939 -2.416 0.883
56 HG23 VAL 8 HG23 VAL 8 4.430 -1.516 0.751
57 H TYR 9 HN TYR 9 8.162 -0.756 3.683
58 HA TYR 9 HA TYR 9 9.744 -0.454 1.257
59 HB2 TYR 9 HB2 TYR 9 10.505 -0.846 4.148
60 HB3 TYR 9 HB1 TYR 9 11.682 -0.883 2.839
61 HD1 TYR 9 HD1 TYR 9 11.969 1.163 1.404
62 HD2 TYR 9 HD2 TYR 9 9.727 1.203 5.024
63 HE1 TYR 9 HE1 TYR 9 12.165 3.618 1.500
64 HE2 TYR 9 HE2 TYR 9 9.916 3.652 5.123
65 HH TYR 9 HH TYR 9 11.083 5.518 2.486
66 H ARG 10 HN ARG 10 9.989 -2.085 -0.021
67 HA ARG 10 HA ARG 10 10.178 -4.796 1.086
68 HB2 ARG 10 HB2 ARG 10 7.845 -4.346 0.363
69 HB3 ARG 10 HB1 ARG 10 8.437 -3.975 -1.247
70 HG2 ARG 10 HG2 ARG 10 9.194 -6.258 -1.528
71 HG3 ARG 10 HG1 ARG 10 8.686 -6.647 0.119
72 HD2 ARG 10 HD2 ARG 10 6.378 -6.038 -0.484
73 HD3 ARG 10 HD1 ARG 10 6.905 -5.742 -2.137
74 HE ARG 10 HE ARG 10 7.618 -8.213 -2.008
75 HH11 ARG 10 HH11 ARG 10 4.842 -6.838 -0.393
76 HH12 ARG 10 HH12 ARG 10 3.903 -8.292 -0.481
77 HH21 ARG 10 HH21 ARG 10 6.386 -10.137 -2.128
78 HH22 ARG 10 HH22 ARG 10 4.784 -10.172 -1.466
79 H ASN 11 HN ASN 11 11.991 -5.685 0.368
80 HA ASN 11 HA ASN 11 13.779 -6.234 -0.911
81 HB2 ASN 11 HB2 ASN 11 11.949 -5.330 -3.136
82 HB3 ASN 11 HB1 ASN 11 13.547 -6.008 -3.423
83 HD21 ASN 11 HD21 ASN 11 13.892 -8.182 -3.095
84 HD22 ASN 11 HD22 ASN 11 12.604 -9.306 -2.861
85 H GLY 12 HN GLY 12 13.443 -3.534 0.225
86 HA2 GLY 12 HA2 GLY 12 15.242 -2.026 0.461
87 HA3 GLY 12 HA1 GLY 12 15.757 -2.422 -1.168
88 H VAL 13 HN VAL 13 12.710 -2.003 -1.844
89 HA VAL 13 HA VAL 13 13.025 0.879 -2.212
90 HB VAL 13 HB VAL 13 11.404 0.560 -4.065
91 HG11 VAL 13 HG11 VAL 13 13.778 0.751 -4.516
92 HG12 VAL 13 HG12 VAL 13 13.041 -0.404 -5.627
93 HG13 VAL 13 HG13 VAL 13 13.979 -0.979 -4.249
94 HG21 VAL 13 HG21 VAL 13 10.388 -1.512 -3.327
95 HG22 VAL 13 HG22 VAL 13 11.918 -2.355 -3.582
96 HG23 VAL 13 HG23 VAL 13 11.045 -1.678 -4.957
97 H ARG 14 HN ARG 14 11.101 2.167 -2.218
98 HA ARG 14 HA ARG 14 9.177 1.348 -0.191
99 HB2 ARG 14 HB2 ARG 14 10.128 3.515 0.149
100 HB3 ARG 14 HB1 ARG 14 9.818 3.982 -1.516
101 HG2 ARG 14 HG2 ARG 14 7.413 3.958 -1.071
102 HG3 ARG 14 HG1 ARG 14 7.734 3.499 0.604
103 HD2 ARG 14 HD2 ARG 14 8.790 5.562 1.065
104 HD3 ARG 14 HD1 ARG 14 8.880 5.982 -0.645
105 HE ARG 14 HE ARG 14 6.234 5.788 -0.254
106 HH11 ARG 14 HH11 ARG 14 8.729 7.489 1.526
107 HH12 ARG 14 HH12 ARG 14 7.670 8.768 2.023
108 HH21 ARG 14 HH21 ARG 14 4.850 7.470 0.397
109 HH22 ARG 14 HH22 ARG 14 5.466 8.754 1.389
110 H VAL 15 HN VAL 15 7.522 0.199 -0.950
111 HA VAL 15 HA VAL 15 6.505 0.748 -3.637
112 HB VAL 15 HB VAL 15 5.810 -1.527 -1.772
113 HG11 VAL 15 HG11 VAL 15 5.214 -1.093 -4.696
114 HG12 VAL 15 HG12 VAL 15 4.045 -1.108 -3.374
115 HG13 VAL 15 HG13 VAL 15 4.907 -2.585 -3.808
116 HG21 VAL 15 HG21 VAL 15 8.152 -1.615 -2.406
117 HG22 VAL 15 HG22 VAL 15 7.717 -1.436 -4.104
118 HG23 VAL 15 HG23 VAL 15 7.250 -2.891 -3.224
119 H CYS 16 HN CYS 16 5.195 2.486 -3.488
120 HA CYS 16 HA CYS 16 3.107 2.581 -1.459
121 HB2 CYS 16 HB2 CYS 16 3.790 4.496 -3.704
122 HB3 CYS 16 HB1 CYS 16 2.533 4.766 -2.501
123 H HIS 17 HN HIS 17 1.499 1.181 -1.846
124 HA HIS 17 HA HIS 17 0.421 1.074 -4.579
125 HB2 HIS 17 HB2 HIS 17 0.177 -1.370 -4.389
126 HB3 HIS 17 HB1 HIS 17 1.858 -0.868 -4.310
127 HD1 HIS 17 HD1 HIS 17 2.836 -0.750 -1.728
128 HD2 HIS 17 HD2 HIS 17 -0.566 -3.043 -2.405
129 HE1 HIS 17 HE1 HIS 17 2.653 -2.294 0.246
130 HE2 HIS 17 HE2 HIS 17 0.692 -3.782 -0.271
131 H ARG 18 HN ARG 18 -1.735 0.697 -4.791
132 HA ARG 18 HA ARG 18 -3.337 1.414 -2.487
133 HB2 ARG 18 HB2 ARG 18 -3.836 2.597 -4.490
134 HB3 ARG 18 HB1 ARG 18 -3.911 1.117 -5.430
135 HG2 ARG 18 HG2 ARG 18 -5.961 0.473 -4.278
136 HG3 ARG 18 HG1 ARG 18 -5.879 1.942 -3.305
137 HD2 ARG 18 HD2 ARG 18 -6.267 3.326 -5.166
138 HD3 ARG 18 HD1 ARG 18 -5.923 2.028 -6.307
139 HE ARG 18 HE ARG 18 -8.045 1.004 -5.200
140 HH11 ARG 18 HH11 ARG 18 -7.505 4.382 -5.937
141 HH12 ARG 18 HH12 ARG 18 -9.177 4.714 -6.250
142 HH21 ARG 18 HH21 ARG 18 -10.262 1.446 -5.609
143 HH22 ARG 18 HH22 ARG 18 -10.742 3.053 -6.051
144 H ARG 19 HN ARG 19 -4.519 0.081 -1.318
145 HA ARG 19 HA ARG 19 -5.142 -2.590 -2.402
146 HB2 ARG 19 HB2 ARG 19 -3.480 -2.713 -0.580
147 HB3 ARG 19 HB1 ARG 19 -4.572 -1.835 0.476
148 HG2 ARG 19 HG2 ARG 19 -6.133 -3.660 0.451
149 HG3 ARG 19 HG1 ARG 19 -5.155 -4.522 -0.739
150 HD2 ARG 19 HD2 ARG 19 -3.315 -4.651 0.865
151 HD3 ARG 19 HD1 ARG 19 -4.287 -3.784 2.053
152 HE ARG 19 HE ARG 19 -5.833 -5.903 1.416
153 HH11 ARG 19 HH11 ARG 19 -2.512 -5.597 2.452
154 HH12 ARG 19 HH12 ARG 19 -2.479 -7.132 3.258
155 HH21 ARG 19 HH21 ARG 19 -5.811 -7.919 2.498
156 HH22 ARG 19 HH22 ARG 19 -4.363 -8.446 3.294
157 H CYS 20 HN CYS 20 -7.242 -3.348 -2.045
158 HA CYS 20 HA CYS 20 -9.110 -1.320 -1.006
159 HB2 CYS 20 HB2 CYS 20 -9.432 -3.198 -3.349
160 HB3 CYS 20 HB1 CYS 20 -10.759 -2.272 -2.656
161 H ASN 21 HN ASN 21 -10.778 -1.953 0.270
162 HA ASN 21 HA ASN 21 -11.066 -4.827 0.836
163 HB2 ASN 21 HB2 ASN 21 -9.815 -3.625 2.669
164 HB3 ASN 21 HB1 ASN 21 -11.252 -2.641 2.925
165 HD21 ASN 21 HD21 ASN 21 -9.891 -4.472 4.733
166 HD22 ASN 21 HD22 ASN 21 -11.068 -5.643 5.215
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -16.549 0.427 -2.634
2 H2 GLY 1 HT2 GLY 1 -16.750 -1.232 -2.381
3 H3 GLY 1 HT3 GLY 1 -15.232 -0.618 -2.798
4 HA2 GLY 1 HA1 GLY 1 -16.691 -0.082 -0.278
5 HA3 GLY 1 HA2 GLY 1 -15.302 -1.146 -0.455
6 H PHE 2 HN PHE 2 -13.665 -0.185 0.565
7 HA PHE 2 HA PHE 2 -13.242 2.701 0.087
8 HB2 PHE 2 HB2 PHE 2 -13.784 1.929 2.463
9 HB3 PHE 2 HB1 PHE 2 -12.219 1.131 2.439
10 HD1 PHE 2 HD1 PHE 2 -10.238 2.300 2.868
11 HD2 PHE 2 HD2 PHE 2 -13.867 4.428 2.220
12 HE1 PHE 2 HE1 PHE 2 -9.151 4.374 3.619
13 HE2 PHE 2 HE2 PHE 2 -12.785 6.506 2.971
14 HZ PHE 2 HZ PHE 2 -10.425 6.480 3.671
15 H CYS 3 HN CYS 3 -11.081 3.401 -0.169
16 HA CYS 3 HA CYS 3 -9.188 1.268 -0.888
17 HB2 CYS 3 HB2 CYS 3 -9.656 3.857 -2.375
18 HB3 CYS 3 HB1 CYS 3 -8.358 2.721 -2.717
19 H TRP 4 HN TRP 4 -7.191 1.460 -0.080
20 HA TRP 4 HA TRP 4 -6.335 4.081 0.917
21 HB2 TRP 4 HB2 TRP 4 -5.496 3.160 2.973
22 HB3 TRP 4 HB1 TRP 4 -7.186 2.701 2.825
23 HD1 TRP 4 HD1 TRP 4 -3.708 1.247 3.115
24 HE1 TRP 4 HE1 TRP 4 -3.869 -1.311 3.304
25 HE3 TRP 4 HE3 TRP 4 -8.665 0.653 1.973
26 HZ2 TRP 4 HZ2 TRP 4 -5.825 -3.314 2.999
27 HZ3 TRP 4 HZ3 TRP 4 -9.596 -1.624 1.943
28 HH2 TRP 4 HH2 TRP 4 -8.202 -3.564 2.443
29 H ASN 5 HN ASN 5 -4.186 4.522 0.630
30 HA ASN 5 HA ASN 5 -2.636 2.438 -0.741
31 HB2 ASN 5 HB2 ASN 5 -1.308 4.217 -1.755
32 HB3 ASN 5 HB1 ASN 5 -3.013 4.451 -2.110
33 HD21 ASN 5 HD21 ASN 5 -0.722 6.313 -2.052
34 HD22 ASN 5 HD22 ASN 5 -1.196 7.591 -0.987
35 H VAL 6 HN VAL 6 -1.006 1.581 0.296
36 HA VAL 6 HA VAL 6 0.239 3.131 2.464
37 HB VAL 6 HB VAL 6 -1.035 1.232 3.383
38 HG11 VAL 6 HG11 VAL 6 -0.977 -0.278 1.521
39 HG12 VAL 6 HG12 VAL 6 -0.266 -1.073 2.928
40 HG13 VAL 6 HG13 VAL 6 0.776 -0.430 1.654
41 HG21 VAL 6 HG21 VAL 6 0.951 1.945 4.573
42 HG22 VAL 6 HG22 VAL 6 1.958 0.899 3.572
43 HG23 VAL 6 HG23 VAL 6 0.782 0.192 4.681
44 H CYS 7 HN CYS 7 2.447 3.089 2.584
45 HA CYS 7 HA CYS 7 3.789 2.049 0.183
46 HB2 CYS 7 HB2 CYS 7 4.712 4.414 1.811
47 HB3 CYS 7 HB1 CYS 7 5.272 3.921 0.221
48 H VAL 8 HN VAL 8 4.870 0.263 0.740
49 HA VAL 8 HA VAL 8 6.183 0.181 3.372
50 HB VAL 8 HB VAL 8 6.261 -2.240 3.134
51 HG11 VAL 8 HG11 VAL 8 3.516 -1.144 2.539
52 HG12 VAL 8 HG12 VAL 8 4.266 -1.272 4.132
53 HG13 VAL 8 HG13 VAL 8 3.865 -2.732 3.224
54 HG21 VAL 8 HG21 VAL 8 4.911 -1.806 0.471
55 HG22 VAL 8 HG22 VAL 8 5.154 -3.369 1.250
56 HG23 VAL 8 HG23 VAL 8 6.546 -2.417 0.732
57 H TYR 9 HN TYR 9 8.215 -1.400 3.208
58 HA TYR 9 HA TYR 9 9.764 -0.601 0.837
59 HB2 TYR 9 HB2 TYR 9 10.619 -0.693 3.725
60 HB3 TYR 9 HB1 TYR 9 11.786 -0.737 2.408
61 HD1 TYR 9 HD1 TYR 9 12.079 1.227 0.943
62 HD2 TYR 9 HD2 TYR 9 9.447 1.320 4.285
63 HE1 TYR 9 HE1 TYR 9 12.022 3.683 0.822
64 HE2 TYR 9 HE2 TYR 9 9.384 3.775 4.172
65 HH TYR 9 HH TYR 9 10.623 5.615 3.321
66 H ARG 10 HN ARG 10 10.285 -2.238 -0.359
67 HA ARG 10 HA ARG 10 10.827 -4.837 0.911
68 HB2 ARG 10 HB2 ARG 10 9.491 -4.285 -1.746
69 HB3 ARG 10 HB1 ARG 10 10.011 -5.877 -1.212
70 HG2 ARG 10 HG2 ARG 10 7.961 -4.155 0.165
71 HG3 ARG 10 HG1 ARG 10 7.617 -5.537 -0.877
72 HD2 ARG 10 HD2 ARG 10 8.809 -7.002 0.665
73 HD3 ARG 10 HD1 ARG 10 9.185 -5.624 1.697
74 HE ARG 10 HE ARG 10 6.372 -6.012 1.229
75 HH11 ARG 10 HH11 ARG 10 9.111 -6.879 3.229
76 HH12 ARG 10 HH12 ARG 10 8.142 -7.284 4.610
77 HH21 ARG 10 HH21 ARG 10 5.087 -6.572 3.045
78 HH22 ARG 10 HH22 ARG 10 5.855 -7.110 4.504
79 H ASN 11 HN ASN 11 12.925 -5.129 0.852
80 HA ASN 11 HA ASN 11 15.033 -5.451 0.084
81 HB2 ASN 11 HB2 ASN 11 13.758 -5.221 -2.650
82 HB3 ASN 11 HB1 ASN 11 15.394 -5.787 -2.338
83 HD21 ASN 11 HD21 ASN 11 15.699 -7.799 -1.374
84 HD22 ASN 11 HD22 ASN 11 14.448 -8.989 -1.340
85 H GLY 12 HN GLY 12 14.005 -2.790 0.650
86 HA2 GLY 12 HA2 GLY 12 15.291 -0.824 0.814
87 HA3 GLY 12 HA1 GLY 12 16.187 -1.318 -0.614
88 H VAL 13 HN VAL 13 13.262 -1.898 -1.668
89 HA VAL 13 HA VAL 13 13.007 0.734 -2.885
90 HB VAL 13 HB VAL 13 12.052 -2.025 -3.631
91 HG11 VAL 13 HG11 VAL 13 11.364 0.570 -4.974
92 HG12 VAL 13 HG12 VAL 13 10.261 -0.483 -4.093
93 HG13 VAL 13 HG13 VAL 13 11.000 -1.041 -5.594
94 HG21 VAL 13 HG21 VAL 13 13.844 -0.048 -5.035
95 HG22 VAL 13 HG22 VAL 13 13.389 -1.638 -5.644
96 HG23 VAL 13 HG23 VAL 13 14.365 -1.501 -4.182
97 H ARG 14 HN ARG 14 11.167 1.948 -2.667
98 HA ARG 14 HA ARG 14 9.330 1.163 -0.577
99 HB2 ARG 14 HB2 ARG 14 10.153 3.479 -0.673
100 HB3 ARG 14 HB1 ARG 14 9.409 3.679 -2.254
101 HG2 ARG 14 HG2 ARG 14 7.216 3.474 -1.325
102 HG3 ARG 14 HG1 ARG 14 7.874 3.032 0.250
103 HD2 ARG 14 HD2 ARG 14 7.122 5.370 0.176
104 HD3 ARG 14 HD1 ARG 14 8.848 5.232 0.503
105 HE ARG 14 HE ARG 14 8.623 5.545 -2.226
106 HH11 ARG 14 HH11 ARG 14 7.664 7.370 0.601
107 HH12 ARG 14 HH12 ARG 14 7.874 8.912 -0.160
108 HH21 ARG 14 HH21 ARG 14 8.917 7.580 -3.234
109 HH22 ARG 14 HH22 ARG 14 8.593 9.032 -2.345
110 H VAL 15 HN VAL 15 7.791 -0.202 -1.082
111 HA VAL 15 HA VAL 15 6.526 -0.082 -3.720
112 HB VAL 15 HB VAL 15 6.332 -2.189 -1.556
113 HG11 VAL 15 HG11 VAL 15 5.167 -2.160 -4.340
114 HG12 VAL 15 HG12 VAL 15 4.261 -2.074 -2.827
115 HG13 VAL 15 HG13 VAL 15 5.156 -3.539 -3.239
116 HG21 VAL 15 HG21 VAL 15 7.607 -3.584 -3.121
117 HG22 VAL 15 HG22 VAL 15 8.511 -2.151 -2.635
118 HG23 VAL 15 HG23 VAL 15 7.743 -2.215 -4.221
119 H CYS 16 HN CYS 16 5.054 1.524 -3.619
120 HA CYS 16 HA CYS 16 3.128 1.411 -1.410
121 HB2 CYS 16 HB2 CYS 16 4.438 3.577 -1.913
122 HB3 CYS 16 HB1 CYS 16 3.395 3.718 -3.324
123 H HIS 17 HN HIS 17 1.129 0.792 -1.790
124 HA HIS 17 HA HIS 17 0.100 0.792 -4.514
125 HB2 HIS 17 HB2 HIS 17 -0.660 -1.650 -4.126
126 HB3 HIS 17 HB1 HIS 17 1.001 -1.355 -4.616
127 HD1 HIS 17 HD1 HIS 17 2.115 -3.346 -3.569
128 HD2 HIS 17 HD2 HIS 17 -0.230 -1.236 -0.868
129 HE1 HIS 17 HE1 HIS 17 2.627 -4.329 -1.310
130 HE2 HIS 17 HE2 HIS 17 1.105 -3.120 0.287
131 H ARG 18 HN ARG 18 -2.139 0.559 -4.673
132 HA ARG 18 HA ARG 18 -3.515 1.444 -2.247
133 HB2 ARG 18 HB2 ARG 18 -3.614 2.882 -4.259
134 HB3 ARG 18 HB1 ARG 18 -4.384 1.572 -5.140
135 HG2 ARG 18 HG2 ARG 18 -6.265 1.658 -3.539
136 HG3 ARG 18 HG1 ARG 18 -5.501 3.050 -2.769
137 HD2 ARG 18 HD2 ARG 18 -6.455 2.866 -5.623
138 HD3 ARG 18 HD1 ARG 18 -7.203 3.791 -4.322
139 HE ARG 18 HE ARG 18 -4.510 4.583 -4.659
140 HH11 ARG 18 HH11 ARG 18 -7.653 4.860 -6.173
141 HH12 ARG 18 HH12 ARG 18 -7.287 6.373 -6.941
142 HH21 ARG 18 HH21 ARG 18 -4.027 6.565 -5.675
143 HH22 ARG 18 HH22 ARG 18 -5.223 7.333 -6.672
144 H ARG 19 HN ARG 19 -4.705 0.034 -1.181
145 HA ARG 19 HA ARG 19 -5.767 -2.311 -2.604
146 HB2 ARG 19 HB2 ARG 19 -5.308 -1.772 0.335
147 HB3 ARG 19 HB1 ARG 19 -6.177 -3.178 -0.263
148 HG2 ARG 19 HG2 ARG 19 -4.225 -3.970 -1.405
149 HG3 ARG 19 HG1 ARG 19 -3.340 -2.503 -0.989
150 HD2 ARG 19 HD2 ARG 19 -3.449 -3.073 1.364
151 HD3 ARG 19 HD1 ARG 19 -4.433 -4.490 1.002
152 HE ARG 19 HE ARG 19 -2.196 -4.903 -0.464
153 HH11 ARG 19 HH11 ARG 19 -2.714 -4.152 2.919
154 HH12 ARG 19 HH12 ARG 19 -1.307 -5.016 3.447
155 HH21 ARG 19 HH21 ARG 19 -0.356 -6.050 0.250
156 HH22 ARG 19 HH22 ARG 19 0.023 -6.096 1.945
157 H CYS 20 HN CYS 20 -7.948 -2.702 -2.678
158 HA CYS 20 HA CYS 20 -9.669 -0.616 -1.516
159 HB2 CYS 20 HB2 CYS 20 -9.859 -1.898 -4.242
160 HB3 CYS 20 HB1 CYS 20 -11.144 -0.928 -3.533
161 H ASN 21 HN ASN 21 -10.636 -1.566 0.125
162 HA ASN 21 HA ASN 21 -12.275 -3.920 -0.403
163 HB2 ASN 21 HB2 ASN 21 -10.343 -3.709 1.923
164 HB3 ASN 21 HB1 ASN 21 -11.615 -4.915 1.799
165 HD21 ASN 21 HD21 ASN 21 -8.536 -3.867 0.619
166 HD22 ASN 21 HD22 ASN 21 -8.145 -5.307 -0.251
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -15.426 -0.576 1.084
2 H2 GLY 1 HT2 GLY 1 -17.029 -0.975 0.703
3 H3 GLY 1 HT3 GLY 1 -16.672 0.542 1.353
4 HA2 GLY 1 HA1 GLY 1 -15.727 -0.434 -1.282
5 HA3 GLY 1 HA2 GLY 1 -17.101 0.635 -1.049
6 H PHE 2 HN PHE 2 -13.834 0.552 0.404
7 HA PHE 2 HA PHE 2 -13.346 3.204 -0.767
8 HB2 PHE 2 HB2 PHE 2 -12.771 2.468 2.113
9 HB3 PHE 2 HB1 PHE 2 -12.357 3.991 1.339
10 HD1 PHE 2 HD1 PHE 2 -14.418 5.234 0.230
11 HD2 PHE 2 HD2 PHE 2 -14.684 2.387 3.376
12 HE1 PHE 2 HE1 PHE 2 -16.596 6.167 0.886
13 HE2 PHE 2 HE2 PHE 2 -16.862 3.311 4.038
14 HZ PHE 2 HZ PHE 2 -17.832 5.193 2.764
15 H CYS 3 HN CYS 3 -11.000 3.798 -0.633
16 HA CYS 3 HA CYS 3 -9.284 1.413 -0.748
17 HB2 CYS 3 HB2 CYS 3 -9.292 3.675 -2.756
18 HB3 CYS 3 HB1 CYS 3 -8.187 2.306 -2.754
19 H TRP 4 HN TRP 4 -7.130 1.715 -0.187
20 HA TRP 4 HA TRP 4 -6.301 4.398 0.634
21 HB2 TRP 4 HB2 TRP 4 -5.419 3.533 2.774
22 HB3 TRP 4 HB1 TRP 4 -7.168 3.388 2.674
23 HD1 TRP 4 HD1 TRP 4 -4.006 1.312 2.954
24 HE1 TRP 4 HE1 TRP 4 -4.634 -1.142 3.396
25 HE3 TRP 4 HE3 TRP 4 -9.047 1.635 2.188
26 HZ2 TRP 4 HZ2 TRP 4 -6.972 -2.726 3.416
27 HZ3 TRP 4 HZ3 TRP 4 -10.406 -0.396 2.442
28 HH2 TRP 4 HH2 TRP 4 -9.389 -2.532 3.044
29 H ASN 5 HN ASN 5 -4.127 4.787 0.426
30 HA ASN 5 HA ASN 5 -2.591 2.664 -0.894
31 HB2 ASN 5 HB2 ASN 5 -2.807 4.660 -2.240
32 HB3 ASN 5 HB1 ASN 5 -2.235 5.667 -0.915
33 HD21 ASN 5 HD21 ASN 5 -0.055 5.788 -0.494
34 HD22 ASN 5 HD22 ASN 5 1.146 5.131 -1.551
35 H VAL 6 HN VAL 6 -1.222 1.615 0.336
36 HA VAL 6 HA VAL 6 0.211 3.068 2.438
37 HB VAL 6 HB VAL 6 0.546 0.810 3.463
38 HG11 VAL 6 HG11 VAL 6 -1.755 0.700 4.428
39 HG12 VAL 6 HG12 VAL 6 -2.233 1.917 3.246
40 HG13 VAL 6 HG13 VAL 6 -1.020 2.302 4.462
41 HG21 VAL 6 HG21 VAL 6 -1.022 -0.971 2.863
42 HG22 VAL 6 HG22 VAL 6 0.074 -0.564 1.543
43 HG23 VAL 6 HG23 VAL 6 -1.592 0.012 1.513
44 H CYS 7 HN CYS 7 2.415 2.438 2.759
45 HA CYS 7 HA CYS 7 3.648 1.389 0.306
46 HB2 CYS 7 HB2 CYS 7 4.553 3.783 1.917
47 HB3 CYS 7 HB1 CYS 7 5.427 3.090 0.554
48 H VAL 8 HN VAL 8 4.986 -0.225 0.622
49 HA VAL 8 HA VAL 8 6.155 -0.601 3.303
50 HB VAL 8 HB VAL 8 6.389 -2.983 2.729
51 HG11 VAL 8 HG11 VAL 8 4.379 -2.244 3.891
52 HG12 VAL 8 HG12 VAL 8 4.020 -3.589 2.808
53 HG13 VAL 8 HG13 VAL 8 3.584 -1.944 2.344
54 HG21 VAL 8 HG21 VAL 8 6.602 -2.752 0.303
55 HG22 VAL 8 HG22 VAL 8 4.907 -2.269 0.198
56 HG23 VAL 8 HG23 VAL 8 5.330 -3.897 0.728
57 H TYR 9 HN TYR 9 8.338 -1.662 3.270
58 HA TYR 9 HA TYR 9 9.897 -0.666 0.983
59 HB2 TYR 9 HB2 TYR 9 10.695 -1.059 3.869
60 HB3 TYR 9 HB1 TYR 9 11.845 -0.711 2.584
61 HD1 TYR 9 HD1 TYR 9 11.341 1.443 1.177
62 HD2 TYR 9 HD2 TYR 9 9.756 0.689 5.051
63 HE1 TYR 9 HE1 TYR 9 10.933 3.849 1.473
64 HE2 TYR 9 HE2 TYR 9 9.341 3.092 5.358
65 HH TYR 9 HH TYR 9 10.225 5.247 4.458
66 H ARG 10 HN ARG 10 10.548 -2.170 -0.347
67 HA ARG 10 HA ARG 10 11.253 -4.816 0.735
68 HB2 ARG 10 HB2 ARG 10 9.749 -4.233 -1.827
69 HB3 ARG 10 HB1 ARG 10 10.340 -5.819 -1.347
70 HG2 ARG 10 HG2 ARG 10 8.883 -5.830 0.574
71 HG3 ARG 10 HG1 ARG 10 8.356 -4.186 0.217
72 HD2 ARG 10 HD2 ARG 10 6.686 -5.769 -0.519
73 HD3 ARG 10 HD1 ARG 10 7.411 -4.968 -1.909
74 HE ARG 10 HE ARG 10 8.789 -7.042 -2.151
75 HH11 ARG 10 HH11 ARG 10 5.691 -7.142 -0.508
76 HH12 ARG 10 HH12 ARG 10 5.392 -8.801 -0.912
77 HH21 ARG 10 HH21 ARG 10 8.382 -9.226 -2.686
78 HH22 ARG 10 HH22 ARG 10 6.915 -9.982 -2.155
79 H ASN 11 HN ASN 11 13.301 -5.231 0.387
80 HA ASN 11 HA ASN 11 15.424 -5.144 -0.389
81 HB2 ASN 11 HB2 ASN 11 14.303 -6.252 -2.348
82 HB3 ASN 11 HB1 ASN 11 14.173 -4.666 -3.101
83 HD21 ASN 11 HD21 ASN 11 15.444 -5.197 -4.829
84 HD22 ASN 11 HD22 ASN 11 17.152 -5.443 -4.702
85 H GLY 12 HN GLY 12 14.174 -2.740 0.554
86 HA2 GLY 12 HA2 GLY 12 15.189 -0.699 1.015
87 HA3 GLY 12 HA1 GLY 12 16.241 -0.931 -0.370
88 H VAL 13 HN VAL 13 13.260 -1.517 -1.581
89 HA VAL 13 HA VAL 13 13.028 1.288 -2.434
90 HB VAL 13 HB VAL 13 13.445 -0.591 -4.141
91 HG11 VAL 13 HG11 VAL 13 11.438 -1.691 -5.014
92 HG12 VAL 13 HG12 VAL 13 10.507 -1.037 -3.669
93 HG13 VAL 13 HG13 VAL 13 11.806 -2.189 -3.363
94 HG21 VAL 13 HG21 VAL 13 12.031 0.513 -5.818
95 HG22 VAL 13 HG22 VAL 13 12.882 1.662 -4.788
96 HG23 VAL 13 HG23 VAL 13 11.169 1.341 -4.523
97 H ARG 14 HN ARG 14 11.017 2.288 -2.523
98 HA ARG 14 HA ARG 14 9.144 1.343 -0.527
99 HB2 ARG 14 HB2 ARG 14 9.886 3.710 -0.611
100 HB3 ARG 14 HB1 ARG 14 9.117 3.873 -2.183
101 HG2 ARG 14 HG2 ARG 14 6.946 3.363 -1.149
102 HG3 ARG 14 HG1 ARG 14 7.739 3.281 0.427
103 HD2 ARG 14 HD2 ARG 14 6.747 5.454 0.170
104 HD3 ARG 14 HD1 ARG 14 8.501 5.616 0.106
105 HE ARG 14 HE ARG 14 7.030 5.425 -2.414
106 HH11 ARG 14 HH11 ARG 14 8.879 7.360 -0.155
107 HH12 ARG 14 HH12 ARG 14 9.095 8.676 -1.267
108 HH21 ARG 14 HH21 ARG 14 7.329 7.156 -3.879
109 HH22 ARG 14 HH22 ARG 14 8.223 8.557 -3.379
110 H VAL 15 HN VAL 15 7.738 -0.131 -1.177
111 HA VAL 15 HA VAL 15 6.548 0.086 -3.855
112 HB VAL 15 HB VAL 15 6.391 -2.230 -1.914
113 HG11 VAL 15 HG11 VAL 15 4.548 -2.184 -3.489
114 HG12 VAL 15 HG12 VAL 15 5.652 -3.504 -3.878
115 HG13 VAL 15 HG13 VAL 15 5.675 -2.023 -4.836
116 HG21 VAL 15 HG21 VAL 15 8.198 -1.845 -4.298
117 HG22 VAL 15 HG22 VAL 15 8.040 -3.331 -3.363
118 HG23 VAL 15 HG23 VAL 15 8.693 -1.879 -2.607
119 H CYS 16 HN CYS 16 4.728 1.217 -3.878
120 HA CYS 16 HA CYS 16 3.028 1.211 -1.492
121 HB2 CYS 16 HB2 CYS 16 3.037 3.096 -3.854
122 HB3 CYS 16 HB1 CYS 16 2.028 3.251 -2.418
123 H HIS 17 HN HIS 17 1.128 0.259 -1.473
124 HA HIS 17 HA HIS 17 -0.054 -0.561 -4.049
125 HB2 HIS 17 HB2 HIS 17 -0.327 -1.922 -1.363
126 HB3 HIS 17 HB1 HIS 17 -1.141 -2.414 -2.838
127 HD1 HIS 17 HD1 HIS 17 1.612 -3.326 -0.847
128 HD2 HIS 17 HD2 HIS 17 0.991 -3.008 -4.943
129 HE1 HIS 17 HE1 HIS 17 3.379 -4.764 -1.907
130 HE2 HIS 17 HE2 HIS 17 2.869 -4.696 -4.374
131 H ARG 18 HN ARG 18 -2.149 -0.063 -4.405
132 HA ARG 18 HA ARG 18 -3.521 1.469 -2.313
133 HB2 ARG 18 HB2 ARG 18 -3.242 2.502 -4.593
134 HB3 ARG 18 HB1 ARG 18 -4.286 1.236 -5.229
135 HG2 ARG 18 HG2 ARG 18 -6.087 1.997 -3.745
136 HG3 ARG 18 HG1 ARG 18 -5.039 3.289 -3.158
137 HD2 ARG 18 HD2 ARG 18 -4.880 4.158 -5.460
138 HD3 ARG 18 HD1 ARG 18 -5.998 2.903 -5.988
139 HE ARG 18 HE ARG 18 -6.858 4.751 -3.887
140 HH11 ARG 18 HH11 ARG 18 -7.091 3.666 -7.203
141 HH12 ARG 18 HH12 ARG 18 -8.583 4.498 -7.501
142 HH21 ARG 18 HH21 ARG 18 -8.822 5.832 -4.267
143 HH22 ARG 18 HH22 ARG 18 -9.577 5.720 -5.828
144 H ARG 19 HN ARG 19 -4.528 0.055 -1.045
145 HA ARG 19 HA ARG 19 -5.736 -2.331 -2.210
146 HB2 ARG 19 HB2 ARG 19 -4.243 -2.370 -0.161
147 HB3 ARG 19 HB1 ARG 19 -5.543 -1.569 0.706
148 HG2 ARG 19 HG2 ARG 19 -6.985 -3.444 0.410
149 HG3 ARG 19 HG1 ARG 19 -5.832 -4.222 -0.678
150 HD2 ARG 19 HD2 ARG 19 -4.204 -4.319 1.176
151 HD3 ARG 19 HD1 ARG 19 -5.419 -3.628 2.248
152 HE ARG 19 HE ARG 19 -6.583 -5.852 1.124
153 HH11 ARG 19 HH11 ARG 19 -3.747 -5.194 3.072
154 HH12 ARG 19 HH12 ARG 19 -3.787 -6.729 3.880
155 HH21 ARG 19 HH21 ARG 19 -6.639 -7.872 2.187
156 HH22 ARG 19 HH22 ARG 19 -5.432 -8.249 3.376
157 H CYS 20 HN CYS 20 -7.924 -2.764 -2.145
158 HA CYS 20 HA CYS 20 -9.624 -0.514 -1.300
159 HB2 CYS 20 HB2 CYS 20 -9.847 -2.217 -3.779
160 HB3 CYS 20 HB1 CYS 20 -11.118 -1.138 -3.222
161 H ASN 21 HN ASN 21 -11.309 -0.963 -0.060
162 HA ASN 21 HA ASN 21 -12.333 -3.716 0.032
163 HB2 ASN 21 HB2 ASN 21 -10.888 -3.405 2.005
164 HB3 ASN 21 HB1 ASN 21 -11.804 -1.971 2.453
165 HD21 ASN 21 HD21 ASN 21 -12.446 -2.776 4.416
166 HD22 ASN 21 HD22 ASN 21 -13.590 -4.060 4.578
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -15.979 -0.636 2.805
2 H2 GLY 1 HT2 GLY 1 -14.712 -1.693 2.410
3 H3 GLY 1 HT3 GLY 1 -16.320 -2.190 2.233
4 HA2 GLY 1 HA1 GLY 1 -15.329 -1.645 0.096
5 HA3 GLY 1 HA2 GLY 1 -16.691 -0.604 0.485
6 H PHE 2 HN PHE 2 -13.347 -0.513 1.689
7 HA PHE 2 HA PHE 2 -13.219 2.272 0.714
8 HB2 PHE 2 HB2 PHE 2 -11.866 1.025 3.115
9 HB3 PHE 2 HB1 PHE 2 -11.624 2.679 2.575
10 HD1 PHE 2 HD1 PHE 2 -13.430 4.327 2.785
11 HD2 PHE 2 HD2 PHE 2 -13.816 0.386 4.333
12 HE1 PHE 2 HE1 PHE 2 -15.323 5.062 4.171
13 HE2 PHE 2 HE2 PHE 2 -15.713 1.111 5.721
14 HZ PHE 2 HZ PHE 2 -16.469 3.452 5.639
15 H CYS 3 HN CYS 3 -10.918 3.031 0.392
16 HA CYS 3 HA CYS 3 -9.055 0.925 -0.389
17 HB2 CYS 3 HB2 CYS 3 -9.964 3.142 -2.236
18 HB3 CYS 3 HB1 CYS 3 -8.540 2.151 -2.521
19 H TRP 4 HN TRP 4 -6.902 1.525 -0.174
20 HA TRP 4 HA TRP 4 -6.363 4.289 0.612
21 HB2 TRP 4 HB2 TRP 4 -5.193 3.619 2.641
22 HB3 TRP 4 HB1 TRP 4 -6.861 3.069 2.700
23 HD1 TRP 4 HD1 TRP 4 -3.312 1.825 2.814
24 HE1 TRP 4 HE1 TRP 4 -3.294 -0.721 3.186
25 HE3 TRP 4 HE3 TRP 4 -8.285 0.863 2.105
26 HZ2 TRP 4 HZ2 TRP 4 -5.137 -2.849 3.175
27 HZ3 TRP 4 HZ3 TRP 4 -9.072 -1.459 2.304
28 HH2 TRP 4 HH2 TRP 4 -7.526 -3.275 2.824
29 H ASN 5 HN ASN 5 -4.362 5.004 0.077
30 HA ASN 5 HA ASN 5 -2.665 3.213 -1.472
31 HB2 ASN 5 HB2 ASN 5 -3.135 5.448 -2.379
32 HB3 ASN 5 HB1 ASN 5 -2.434 6.177 -0.939
33 HD21 ASN 5 HD21 ASN 5 -0.856 7.273 -1.999
34 HD22 ASN 5 HD22 ASN 5 0.493 6.497 -2.760
35 H VAL 6 HN VAL 6 -1.182 2.081 -0.440
36 HA VAL 6 HA VAL 6 0.049 3.265 1.959
37 HB VAL 6 HB VAL 6 -1.461 1.376 2.508
38 HG11 VAL 6 HG11 VAL 6 -1.228 0.067 0.490
39 HG12 VAL 6 HG12 VAL 6 -0.801 -0.905 1.898
40 HG13 VAL 6 HG13 VAL 6 0.467 -0.244 0.865
41 HG21 VAL 6 HG21 VAL 6 0.411 1.864 3.970
42 HG22 VAL 6 HG22 VAL 6 1.464 0.837 2.997
43 HG23 VAL 6 HG23 VAL 6 0.125 0.125 3.900
44 H CYS 7 HN CYS 7 2.226 2.963 2.252
45 HA CYS 7 HA CYS 7 3.688 1.959 -0.089
46 HB2 CYS 7 HB2 CYS 7 4.447 4.209 1.782
47 HB3 CYS 7 HB1 CYS 7 5.451 3.600 0.474
48 H VAL 8 HN VAL 8 4.500 0.059 0.403
49 HA VAL 8 HA VAL 8 5.584 -0.402 3.095
50 HB VAL 8 HB VAL 8 5.577 -2.824 2.409
51 HG11 VAL 8 HG11 VAL 8 3.145 -3.101 2.660
52 HG12 VAL 8 HG12 VAL 8 2.927 -1.379 2.347
53 HG13 VAL 8 HG13 VAL 8 3.794 -1.911 3.787
54 HG21 VAL 8 HG21 VAL 8 5.612 -2.527 -0.003
55 HG22 VAL 8 HG22 VAL 8 4.028 -1.752 0.051
56 HG23 VAL 8 HG23 VAL 8 4.191 -3.454 0.477
57 H TYR 9 HN TYR 9 7.494 -2.159 2.861
58 HA TYR 9 HA TYR 9 9.336 -1.026 0.863
59 HB2 TYR 9 HB2 TYR 9 9.952 -1.953 3.670
60 HB3 TYR 9 HB1 TYR 9 11.169 -1.489 2.484
61 HD1 TYR 9 HD1 TYR 9 11.030 0.891 1.533
62 HD2 TYR 9 HD2 TYR 9 8.985 -0.343 5.048
63 HE1 TYR 9 HE1 TYR 9 10.827 3.238 2.228
64 HE2 TYR 9 HE2 TYR 9 8.773 2.003 5.754
65 HH TYR 9 HH TYR 9 9.418 4.609 3.656
66 H ARG 10 HN ARG 10 10.346 -2.361 -0.454
67 HA ARG 10 HA ARG 10 10.346 -5.232 0.195
68 HB2 ARG 10 HB2 ARG 10 8.607 -4.623 -1.526
69 HB3 ARG 10 HB1 ARG 10 9.913 -4.086 -2.569
70 HG2 ARG 10 HG2 ARG 10 9.457 -6.226 -3.330
71 HG3 ARG 10 HG1 ARG 10 10.855 -6.455 -2.282
72 HD2 ARG 10 HD2 ARG 10 7.969 -6.995 -1.589
73 HD3 ARG 10 HD1 ARG 10 9.222 -8.196 -1.880
74 HE ARG 10 HE ARG 10 9.000 -6.451 0.473
75 HH11 ARG 10 HH11 ARG 10 10.455 -9.204 -1.138
76 HH12 ARG 10 HH12 ARG 10 11.227 -9.792 0.300
77 HH21 ARG 10 HH21 ARG 10 10.019 -7.237 2.368
78 HH22 ARG 10 HH22 ARG 10 10.997 -8.669 2.276
79 H ASN 11 HN ASN 11 12.458 -5.357 0.770
80 HA ASN 11 HA ASN 11 14.692 -5.589 0.530
81 HB2 ASN 11 HB2 ASN 11 14.055 -5.472 -2.426
82 HB3 ASN 11 HB1 ASN 11 15.601 -5.967 -1.741
83 HD21 ASN 11 HD21 ASN 11 15.760 -7.943 -0.690
84 HD22 ASN 11 HD22 ASN 11 14.545 -9.164 -0.840
85 H GLY 12 HN GLY 12 13.674 -2.990 0.969
86 HA2 GLY 12 HA2 GLY 12 15.137 -1.195 1.518
87 HA3 GLY 12 HA1 GLY 12 16.080 -1.562 0.087
88 H VAL 13 HN VAL 13 13.443 -1.718 -1.472
89 HA VAL 13 HA VAL 13 13.254 1.150 -1.904
90 HB VAL 13 HB VAL 13 12.228 0.582 -4.023
91 HG11 VAL 13 HG11 VAL 13 14.774 -0.922 -3.512
92 HG12 VAL 13 HG12 VAL 13 14.630 0.776 -3.965
93 HG13 VAL 13 HG13 VAL 13 14.160 -0.483 -5.105
94 HG21 VAL 13 HG21 VAL 13 12.095 -1.732 -4.812
95 HG22 VAL 13 HG22 VAL 13 11.047 -1.439 -3.427
96 HG23 VAL 13 HG23 VAL 13 12.579 -2.287 -3.211
97 H ARG 14 HN ARG 14 11.204 2.137 -2.202
98 HA ARG 14 HA ARG 14 9.208 1.012 -0.401
99 HB2 ARG 14 HB2 ARG 14 10.021 3.314 -0.021
100 HB3 ARG 14 HB1 ARG 14 9.409 3.778 -1.603
101 HG2 ARG 14 HG2 ARG 14 7.153 3.406 -0.911
102 HG3 ARG 14 HG1 ARG 14 7.689 2.709 0.620
103 HD2 ARG 14 HD2 ARG 14 6.931 5.009 0.917
104 HD3 ARG 14 HD1 ARG 14 8.649 4.853 1.272
105 HE ARG 14 HE ARG 14 8.624 5.608 -1.326
106 HH11 ARG 14 HH11 ARG 14 7.132 6.907 1.559
107 HH12 ARG 14 HH12 ARG 14 7.149 8.543 0.982
108 HH21 ARG 14 HH21 ARG 14 8.669 7.755 -2.082
109 HH22 ARG 14 HH22 ARG 14 8.039 9.030 -1.086
110 H VAL 15 HN VAL 15 7.436 0.109 -1.104
111 HA VAL 15 HA VAL 15 6.668 0.445 -3.923
112 HB VAL 15 HB VAL 15 5.951 -1.784 -2.003
113 HG11 VAL 15 HG11 VAL 15 5.443 -1.500 -4.962
114 HG12 VAL 15 HG12 VAL 15 4.228 -1.428 -3.685
115 HG13 VAL 15 HG13 VAL 15 5.096 -2.933 -3.994
116 HG21 VAL 15 HG21 VAL 15 7.906 -1.740 -4.299
117 HG22 VAL 15 HG22 VAL 15 7.458 -3.165 -3.357
118 HG23 VAL 15 HG23 VAL 15 8.314 -1.829 -2.585
119 H CYS 16 HN CYS 16 5.230 2.054 -4.006
120 HA CYS 16 HA CYS 16 3.161 2.258 -1.955
121 HB2 CYS 16 HB2 CYS 16 3.932 4.118 -4.214
122 HB3 CYS 16 HB1 CYS 16 2.607 4.418 -3.091
123 H HIS 17 HN HIS 17 1.433 1.054 -2.272
124 HA HIS 17 HA HIS 17 0.208 1.057 -4.928
125 HB2 HIS 17 HB2 HIS 17 -0.380 -1.395 -4.605
126 HB3 HIS 17 HB1 HIS 17 1.289 -1.040 -5.010
127 HD1 HIS 17 HD1 HIS 17 2.305 -3.111 -3.996
128 HD2 HIS 17 HD2 HIS 17 -0.018 -0.975 -1.292
129 HE1 HIS 17 HE1 HIS 17 2.728 -4.169 -1.756
130 HE2 HIS 17 HE2 HIS 17 1.186 -2.969 -0.170
131 H ARG 18 HN ARG 18 -2.027 0.768 -4.962
132 HA ARG 18 HA ARG 18 -3.280 1.644 -2.478
133 HB2 ARG 18 HB2 ARG 18 -3.620 2.835 -4.684
134 HB3 ARG 18 HB1 ARG 18 -4.522 1.424 -5.220
135 HG2 ARG 18 HG2 ARG 18 -6.115 1.766 -3.381
136 HG3 ARG 18 HG1 ARG 18 -5.223 3.212 -2.901
137 HD2 ARG 18 HD2 ARG 18 -5.625 4.113 -5.205
138 HD3 ARG 18 HD1 ARG 18 -6.687 2.737 -5.491
139 HE ARG 18 HE ARG 18 -7.272 4.404 -3.177
140 HH11 ARG 18 HH11 ARG 18 -8.012 3.613 -6.507
141 HH12 ARG 18 HH12 ARG 18 -9.581 4.352 -6.462
142 HH21 ARG 18 HH21 ARG 18 -9.319 5.393 -3.125
143 HH22 ARG 18 HH22 ARG 18 -10.318 5.376 -4.547
144 H ARG 19 HN ARG 19 -4.368 0.296 -1.227
145 HA ARG 19 HA ARG 19 -5.250 -2.275 -2.356
146 HB2 ARG 19 HB2 ARG 19 -4.316 -1.467 0.370
147 HB3 ARG 19 HB1 ARG 19 -5.411 -2.831 0.204
148 HG2 ARG 19 HG2 ARG 19 -3.840 -3.932 -1.277
149 HG3 ARG 19 HG1 ARG 19 -2.744 -2.559 -1.148
150 HD2 ARG 19 HD2 ARG 19 -2.346 -2.987 1.148
151 HD3 ARG 19 HD1 ARG 19 -3.670 -4.147 1.230
152 HE ARG 19 HE ARG 19 -1.666 -4.902 -0.666
153 HH11 ARG 19 HH11 ARG 19 -2.457 -4.901 2.741
154 HH12 ARG 19 HH12 ARG 19 -1.516 -6.316 3.093
155 HH21 ARG 19 HH21 ARG 19 -0.429 -6.771 -0.211
156 HH22 ARG 19 HH22 ARG 19 -0.365 -7.379 1.411
157 H CYS 20 HN CYS 20 -7.291 -3.153 -1.416
158 HA CYS 20 HA CYS 20 -9.178 -1.038 -0.715
159 HB2 CYS 20 HB2 CYS 20 -9.386 -2.807 -3.146
160 HB3 CYS 20 HB1 CYS 20 -10.760 -1.938 -2.476
161 H ASN 21 HN ASN 21 -10.645 -1.630 0.693
162 HA ASN 21 HA ASN 21 -11.508 -4.414 0.834
163 HB2 ASN 21 HB2 ASN 21 -9.779 -4.169 2.584
164 HB3 ASN 21 HB1 ASN 21 -10.667 -2.807 3.263
165 HD21 ASN 21 HD21 ASN 21 -10.926 -3.819 5.233
166 HD22 ASN 21 HD22 ASN 21 -12.018 -5.137 5.464
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -16.799 1.020 -3.540
2 H2 GLY 1 HT2 GLY 1 -15.587 2.100 -4.000
3 H3 GLY 1 HT3 GLY 1 -16.647 2.503 -2.746
4 HA2 GLY 1 HA1 GLY 1 -15.771 0.716 -1.386
5 HA3 GLY 1 HA2 GLY 1 -14.668 0.297 -2.693
6 H PHE 2 HN PHE 2 -14.096 1.144 0.064
7 HA PHE 2 HA PHE 2 -12.968 3.802 -0.228
8 HB2 PHE 2 HB2 PHE 2 -12.963 1.854 2.086
9 HB3 PHE 2 HB1 PHE 2 -12.364 3.503 2.146
10 HD1 PHE 2 HD1 PHE 2 -13.953 5.402 1.868
11 HD2 PHE 2 HD2 PHE 2 -15.265 1.378 2.283
12 HE1 PHE 2 HE1 PHE 2 -16.203 6.200 2.456
13 HE2 PHE 2 HE2 PHE 2 -17.519 2.169 2.871
14 HZ PHE 2 HZ PHE 2 -18.002 4.577 2.914
15 H CYS 3 HN CYS 3 -10.922 4.158 -0.837
16 HA CYS 3 HA CYS 3 -9.164 1.812 -1.050
17 HB2 CYS 3 HB2 CYS 3 -9.030 4.400 -2.599
18 HB3 CYS 3 HB1 CYS 3 -8.026 2.979 -2.854
19 H TRP 4 HN TRP 4 -7.174 1.807 -0.199
20 HA TRP 4 HA TRP 4 -6.051 4.322 0.789
21 HB2 TRP 4 HB2 TRP 4 -5.294 3.251 2.852
22 HB3 TRP 4 HB1 TRP 4 -7.047 3.177 2.732
23 HD1 TRP 4 HD1 TRP 4 -3.969 0.998 2.938
24 HE1 TRP 4 HE1 TRP 4 -4.680 -1.466 3.157
25 HE3 TRP 4 HE3 TRP 4 -8.966 1.509 1.986
26 HZ2 TRP 4 HZ2 TRP 4 -7.043 -2.987 2.957
27 HZ3 TRP 4 HZ3 TRP 4 -10.381 -0.504 2.021
28 HH2 TRP 4 HH2 TRP 4 -9.437 -2.705 2.494
29 H ASN 5 HN ASN 5 -3.683 4.159 1.116
30 HA ASN 5 HA ASN 5 -2.509 2.197 -0.744
31 HB2 ASN 5 HB2 ASN 5 -2.682 4.459 -1.753
32 HB3 ASN 5 HB1 ASN 5 -1.715 5.100 -0.430
33 HD21 ASN 5 HD21 ASN 5 -0.090 5.816 -1.765
34 HD22 ASN 5 HD22 ASN 5 0.992 4.741 -2.579
35 H VAL 6 HN VAL 6 -1.082 0.934 0.232
36 HA VAL 6 HA VAL 6 0.209 1.904 2.690
37 HB VAL 6 HB VAL 6 -0.219 -0.921 1.718
38 HG11 VAL 6 HG11 VAL 6 0.759 -1.626 3.850
39 HG12 VAL 6 HG12 VAL 6 1.121 0.053 4.245
40 HG13 VAL 6 HG13 VAL 6 1.932 -0.727 2.887
41 HG21 VAL 6 HG21 VAL 6 -2.204 0.079 2.559
42 HG22 VAL 6 HG22 VAL 6 -1.342 0.711 3.961
43 HG23 VAL 6 HG23 VAL 6 -1.587 -1.029 3.786
44 H CYS 7 HN CYS 7 2.243 2.337 2.706
45 HA CYS 7 HA CYS 7 3.851 1.539 0.380
46 HB2 CYS 7 HB2 CYS 7 4.151 3.876 2.261
47 HB3 CYS 7 HB1 CYS 7 5.334 3.452 1.029
48 H VAL 8 HN VAL 8 5.137 -0.087 0.696
49 HA VAL 8 HA VAL 8 6.564 -0.291 3.264
50 HB VAL 8 HB VAL 8 6.673 -2.761 2.864
51 HG11 VAL 8 HG11 VAL 8 5.078 -1.840 4.445
52 HG12 VAL 8 HG12 VAL 8 4.380 -3.222 3.602
53 HG13 VAL 8 HG13 VAL 8 3.911 -1.585 3.146
54 HG21 VAL 8 HG21 VAL 8 4.628 -2.152 0.730
55 HG22 VAL 8 HG22 VAL 8 5.041 -3.764 1.317
56 HG23 VAL 8 HG23 VAL 8 6.251 -2.796 0.474
57 H TYR 9 HN TYR 9 8.743 -0.872 3.151
58 HA TYR 9 HA TYR 9 9.949 -0.362 0.554
59 HB2 TYR 9 HB2 TYR 9 11.037 -0.444 3.355
60 HB3 TYR 9 HB1 TYR 9 12.109 -0.449 1.955
61 HD1 TYR 9 HD1 TYR 9 12.553 1.535 0.753
62 HD2 TYR 9 HD2 TYR 9 9.494 1.511 3.707
63 HE1 TYR 9 HE1 TYR 9 12.397 3.982 0.602
64 HE2 TYR 9 HE2 TYR 9 9.329 3.958 3.564
65 HH TYR 9 HH TYR 9 10.640 5.850 2.885
66 H ARG 10 HN ARG 10 10.349 -1.955 -0.739
67 HA ARG 10 HA ARG 10 10.749 -4.653 0.348
68 HB2 ARG 10 HB2 ARG 10 8.949 -4.116 -1.408
69 HB3 ARG 10 HB1 ARG 10 10.275 -3.908 -2.540
70 HG2 ARG 10 HG2 ARG 10 9.410 -6.105 -2.819
71 HG3 ARG 10 HG1 ARG 10 10.982 -6.247 -2.030
72 HD2 ARG 10 HD2 ARG 10 9.946 -6.601 0.104
73 HD3 ARG 10 HD1 ARG 10 8.352 -6.250 -0.558
74 HE ARG 10 HE ARG 10 9.578 -8.436 -1.905
75 HH11 ARG 10 HH11 ARG 10 7.896 -7.578 1.042
76 HH12 ARG 10 HH12 ARG 10 7.288 -9.178 1.310
77 HH21 ARG 10 HH21 ARG 10 8.764 -10.535 -1.562
78 HH22 ARG 10 HH22 ARG 10 7.779 -10.858 -0.172
79 H ASN 11 HN ASN 11 12.868 -4.796 0.812
80 HA ASN 11 HA ASN 11 15.123 -4.849 0.596
81 HB2 ASN 11 HB2 ASN 11 14.614 -5.013 -2.383
82 HB3 ASN 11 HB1 ASN 11 16.073 -5.510 -1.536
83 HD21 ASN 11 HD21 ASN 11 12.936 -6.385 -2.539
84 HD22 ASN 11 HD22 ASN 11 12.915 -7.981 -1.865
85 H GLY 12 HN GLY 12 13.942 -2.306 0.785
86 HA2 GLY 12 HA2 GLY 12 15.213 -0.308 0.995
87 HA3 GLY 12 HA1 GLY 12 16.135 -0.778 -0.421
88 H VAL 13 HN VAL 13 13.364 -1.408 -1.726
89 HA VAL 13 HA VAL 13 13.038 1.362 -2.633
90 HB VAL 13 HB VAL 13 13.549 -0.417 -4.324
91 HG11 VAL 13 HG11 VAL 13 10.743 -1.309 -3.728
92 HG12 VAL 13 HG12 VAL 13 12.219 -2.232 -3.449
93 HG13 VAL 13 HG13 VAL 13 11.714 -1.847 -5.095
94 HG21 VAL 13 HG21 VAL 13 11.887 0.391 -5.967
95 HG22 VAL 13 HG22 VAL 13 12.621 1.688 -5.025
96 HG23 VAL 13 HG23 VAL 13 10.989 1.137 -4.646
97 H ARG 14 HN ARG 14 11.103 2.413 -2.621
98 HA ARG 14 HA ARG 14 9.203 1.467 -0.667
99 HB2 ARG 14 HB2 ARG 14 9.864 3.791 -0.601
100 HB3 ARG 14 HB1 ARG 14 9.369 4.019 -2.271
101 HG2 ARG 14 HG2 ARG 14 7.045 3.666 -1.653
102 HG3 ARG 14 HG1 ARG 14 7.524 3.381 0.024
103 HD2 ARG 14 HD2 ARG 14 8.331 5.622 0.238
104 HD3 ARG 14 HD1 ARG 14 8.099 5.923 -1.483
105 HE ARG 14 HE ARG 14 5.620 5.233 -0.466
106 HH11 ARG 14 HH11 ARG 14 8.003 7.746 0.027
107 HH12 ARG 14 HH12 ARG 14 6.834 8.955 0.456
108 HH21 ARG 14 HH21 ARG 14 4.068 6.821 0.110
109 HH22 ARG 14 HH22 ARG 14 4.595 8.421 0.517
110 H VAL 15 HN VAL 15 7.826 -0.042 -1.347
111 HA VAL 15 HA VAL 15 6.471 0.343 -3.933
112 HB VAL 15 HB VAL 15 6.592 -2.177 -2.267
113 HG11 VAL 15 HG11 VAL 15 5.754 -3.263 -4.305
114 HG12 VAL 15 HG12 VAL 15 5.637 -1.686 -5.084
115 HG13 VAL 15 HG13 VAL 15 4.627 -2.055 -3.687
116 HG21 VAL 15 HG21 VAL 15 8.185 -1.411 -4.711
117 HG22 VAL 15 HG22 VAL 15 8.160 -3.013 -3.973
118 HG23 VAL 15 HG23 VAL 15 8.810 -1.640 -3.076
119 H CYS 16 HN CYS 16 4.548 1.262 -3.750
120 HA CYS 16 HA CYS 16 3.061 0.949 -1.245
121 HB2 CYS 16 HB2 CYS 16 2.671 2.977 -3.451
122 HB3 CYS 16 HB1 CYS 16 1.857 2.968 -1.891
123 H HIS 17 HN HIS 17 1.171 -0.117 -1.172
124 HA HIS 17 HA HIS 17 0.086 -1.084 -3.743
125 HB2 HIS 17 HB2 HIS 17 -0.229 -2.370 -1.029
126 HB3 HIS 17 HB1 HIS 17 -0.766 -3.024 -2.566
127 HD1 HIS 17 HD1 HIS 17 1.744 -3.578 -0.206
128 HD2 HIS 17 HD2 HIS 17 1.758 -3.244 -4.352
129 HE1 HIS 17 HE1 HIS 17 3.836 -4.739 -0.969
130 HE2 HIS 17 HE2 HIS 17 3.742 -4.663 -3.486
131 H ARG 18 HN ARG 18 -1.949 -0.611 -4.214
132 HA ARG 18 HA ARG 18 -3.527 0.858 -2.234
133 HB2 ARG 18 HB2 ARG 18 -3.227 2.079 -4.279
134 HB3 ARG 18 HB1 ARG 18 -3.704 0.689 -5.244
135 HG2 ARG 18 HG2 ARG 18 -5.969 0.840 -4.276
136 HG3 ARG 18 HG1 ARG 18 -5.472 2.297 -3.414
137 HD2 ARG 18 HD2 ARG 18 -5.100 3.464 -5.463
138 HD3 ARG 18 HD1 ARG 18 -5.326 1.989 -6.404
139 HE ARG 18 HE ARG 18 -7.672 2.303 -5.035
140 HH11 ARG 18 HH11 ARG 18 -5.805 4.274 -7.235
141 HH12 ARG 18 HH12 ARG 18 -7.193 5.081 -7.893
142 HH21 ARG 18 HH21 ARG 18 -9.511 3.349 -5.906
143 HH22 ARG 18 HH22 ARG 18 -9.303 4.552 -7.141
144 H ARG 19 HN ARG 19 -5.264 -0.044 -1.349
145 HA ARG 19 HA ARG 19 -6.542 -2.274 -2.775
146 HB2 ARG 19 HB2 ARG 19 -5.156 -3.039 -0.801
147 HB3 ARG 19 HB1 ARG 19 -6.259 -2.138 0.229
148 HG2 ARG 19 HG2 ARG 19 -8.114 -3.511 -0.512
149 HG3 ARG 19 HG1 ARG 19 -7.047 -4.385 -1.611
150 HD2 ARG 19 HD2 ARG 19 -5.723 -5.140 0.328
151 HD3 ARG 19 HD1 ARG 19 -6.865 -4.326 1.395
152 HE ARG 19 HE ARG 19 -8.024 -6.255 -0.430
153 HH11 ARG 19 HH11 ARG 19 -6.697 -5.697 2.763
154 HH12 ARG 19 HH12 ARG 19 -7.507 -7.057 3.474
155 HH21 ARG 19 HH21 ARG 19 -9.067 -8.060 0.501
156 HH22 ARG 19 HH22 ARG 19 -8.851 -8.399 2.190
157 H CYS 20 HN CYS 20 -8.747 -2.251 -2.792
158 HA CYS 20 HA CYS 20 -10.003 0.069 -1.495
159 HB2 CYS 20 HB2 CYS 20 -10.687 -1.164 -4.169
160 HB3 CYS 20 HB1 CYS 20 -11.559 0.163 -3.407
161 H ASN 21 HN ASN 21 -11.399 -0.443 -0.006
162 HA ASN 21 HA ASN 21 -13.291 -2.609 -0.427
163 HB2 ASN 21 HB2 ASN 21 -11.446 -3.711 0.774
164 HB3 ASN 21 HB1 ASN 21 -11.523 -2.482 2.031
165 HD21 ASN 21 HD21 ASN 21 -13.153 -2.552 3.540
166 HD22 ASN 21 HD22 ASN 21 -14.204 -3.914 3.721
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -15.996 -2.223 1.791
2 H2 GLY 1 HT2 GLY 1 -14.500 -2.958 1.468
3 H3 GLY 1 HT3 GLY 1 -15.931 -3.669 0.915
4 HA2 GLY 1 HA1 GLY 1 -14.766 -2.563 -0.885
5 HA3 GLY 1 HA2 GLY 1 -16.336 -1.837 -0.575
6 H PHE 2 HN PHE 2 -13.154 -1.499 1.006
7 HA PHE 2 HA PHE 2 -13.252 1.370 0.328
8 HB2 PHE 2 HB2 PHE 2 -12.289 0.195 2.941
9 HB3 PHE 2 HB1 PHE 2 -12.203 1.890 2.493
10 HD1 PHE 2 HD1 PHE 2 -14.379 3.118 2.042
11 HD2 PHE 2 HD2 PHE 2 -14.194 -0.667 3.977
12 HE1 PHE 2 HE1 PHE 2 -16.624 3.489 2.977
13 HE2 PHE 2 HE2 PHE 2 -16.440 -0.304 4.911
14 HZ PHE 2 HZ PHE 2 -17.658 1.775 4.409
15 H CYS 3 HN CYS 3 -11.068 2.385 0.407
16 HA CYS 3 HA CYS 3 -8.943 0.489 -0.261
17 HB2 CYS 3 HB2 CYS 3 -9.724 2.798 -2.047
18 HB3 CYS 3 HB1 CYS 3 -8.403 1.673 -2.322
19 H TRP 4 HN TRP 4 -6.863 1.262 -0.007
20 HA TRP 4 HA TRP 4 -6.469 4.035 0.790
21 HB2 TRP 4 HB2 TRP 4 -5.251 3.428 2.828
22 HB3 TRP 4 HB1 TRP 4 -6.910 2.850 2.912
23 HD1 TRP 4 HD1 TRP 4 -3.317 1.633 2.837
24 HE1 TRP 4 HE1 TRP 4 -3.264 -0.899 3.300
25 HE3 TRP 4 HE3 TRP 4 -8.333 0.656 2.590
26 HZ2 TRP 4 HZ2 TRP 4 -5.102 -3.020 3.526
27 HZ3 TRP 4 HZ3 TRP 4 -9.100 -1.653 2.946
28 HH2 TRP 4 HH2 TRP 4 -7.516 -3.453 3.405
29 H ASN 5 HN ASN 5 -4.321 4.743 0.497
30 HA ASN 5 HA ASN 5 -2.648 2.836 -0.994
31 HB2 ASN 5 HB2 ASN 5 -1.626 4.734 -2.128
32 HB3 ASN 5 HB1 ASN 5 -3.373 4.789 -2.325
33 HD21 ASN 5 HD21 ASN 5 -4.559 6.355 -1.211
34 HD22 ASN 5 HD22 ASN 5 -3.808 7.784 -0.591
35 H VAL 6 HN VAL 6 -0.667 2.362 -0.269
36 HA VAL 6 HA VAL 6 0.413 3.955 1.945
37 HB VAL 6 HB VAL 6 -0.866 2.031 2.885
38 HG11 VAL 6 HG11 VAL 6 0.047 -0.236 2.652
39 HG12 VAL 6 HG12 VAL 6 1.206 0.368 1.466
40 HG13 VAL 6 HG13 VAL 6 -0.523 0.415 1.116
41 HG21 VAL 6 HG21 VAL 6 0.954 2.987 4.162
42 HG22 VAL 6 HG22 VAL 6 2.115 1.956 3.325
43 HG23 VAL 6 HG23 VAL 6 0.908 1.240 4.394
44 H CYS 7 HN CYS 7 2.648 3.842 2.190
45 HA CYS 7 HA CYS 7 4.088 2.610 -0.058
46 HB2 CYS 7 HB2 CYS 7 4.889 4.963 1.668
47 HB3 CYS 7 HB1 CYS 7 5.855 4.286 0.360
48 H VAL 8 HN VAL 8 5.001 0.773 0.514
49 HA VAL 8 HA VAL 8 6.202 0.566 3.200
50 HB VAL 8 HB VAL 8 5.773 -1.857 3.138
51 HG11 VAL 8 HG11 VAL 8 3.287 -0.198 2.731
52 HG12 VAL 8 HG12 VAL 8 4.167 -0.400 4.246
53 HG13 VAL 8 HG13 VAL 8 3.355 -1.779 3.506
54 HG21 VAL 8 HG21 VAL 8 4.256 -2.804 1.457
55 HG22 VAL 8 HG22 VAL 8 5.741 -2.190 0.728
56 HG23 VAL 8 HG23 VAL 8 4.248 -1.260 0.604
57 H TYR 9 HN TYR 9 7.981 -1.124 3.251
58 HA TYR 9 HA TYR 9 9.618 -0.726 0.848
59 HB2 TYR 9 HB2 TYR 9 10.527 -1.555 3.607
60 HB3 TYR 9 HB1 TYR 9 11.551 -1.089 2.252
61 HD1 TYR 9 HD1 TYR 9 11.343 1.287 1.377
62 HD2 TYR 9 HD2 TYR 9 9.769 0.065 5.144
63 HE1 TYR 9 HE1 TYR 9 11.287 3.632 2.107
64 HE2 TYR 9 HE2 TYR 9 9.701 2.413 5.871
65 HH TYR 9 HH TYR 9 10.181 5.033 3.690
66 H ARG 10 HN ARG 10 9.819 -2.360 -0.474
67 HA ARG 10 HA ARG 10 9.529 -5.089 0.608
68 HB2 ARG 10 HB2 ARG 10 7.645 -4.429 -0.839
69 HB3 ARG 10 HB1 ARG 10 8.770 -4.049 -2.133
70 HG2 ARG 10 HG2 ARG 10 9.406 -6.371 -2.314
71 HG3 ARG 10 HG1 ARG 10 8.388 -6.785 -0.932
72 HD2 ARG 10 HD2 ARG 10 7.306 -7.333 -3.064
73 HD3 ARG 10 HD1 ARG 10 6.404 -6.116 -2.163
74 HE ARG 10 HE ARG 10 8.233 -4.989 -4.066
75 HH11 ARG 10 HH11 ARG 10 5.043 -6.386 -3.689
76 HH12 ARG 10 HH12 ARG 10 4.378 -5.548 -5.055
77 HH21 ARG 10 HH21 ARG 10 7.352 -3.880 -5.864
78 HH22 ARG 10 HH22 ARG 10 5.684 -4.114 -6.283
79 H ASN 11 HN ASN 11 11.600 -5.649 0.881
80 HA ASN 11 HA ASN 11 13.701 -6.323 0.403
81 HB2 ASN 11 HB2 ASN 11 12.752 -6.109 -2.458
82 HB3 ASN 11 HB1 ASN 11 14.328 -6.742 -1.996
83 HD21 ASN 11 HD21 ASN 11 14.454 -8.723 -0.937
84 HD22 ASN 11 HD22 ASN 11 13.137 -9.846 -0.942
85 H GLY 12 HN GLY 12 13.188 -3.567 0.907
86 HA2 GLY 12 HA2 GLY 12 14.924 -1.993 1.249
87 HA3 GLY 12 HA1 GLY 12 15.711 -2.575 -0.208
88 H VAL 13 HN VAL 13 12.877 -2.398 -1.467
89 HA VAL 13 HA VAL 13 13.244 0.398 -2.253
90 HB VAL 13 HB VAL 13 13.268 -1.370 -4.029
91 HG11 VAL 13 HG11 VAL 13 10.376 -1.624 -3.266
92 HG12 VAL 13 HG12 VAL 13 11.614 -2.878 -3.195
93 HG13 VAL 13 HG13 VAL 13 11.074 -2.259 -4.757
94 HG21 VAL 13 HG21 VAL 13 12.785 0.951 -4.585
95 HG22 VAL 13 HG22 VAL 13 11.076 0.690 -4.244
96 HG23 VAL 13 HG23 VAL 13 11.843 -0.141 -5.597
97 H ARG 14 HN ARG 14 11.641 1.875 -2.119
98 HA ARG 14 HA ARG 14 9.399 1.228 -0.390
99 HB2 ARG 14 HB2 ARG 14 10.612 3.242 0.127
100 HB3 ARG 14 HB1 ARG 14 10.440 3.826 -1.519
101 HG2 ARG 14 HG2 ARG 14 8.010 3.997 -1.180
102 HG3 ARG 14 HG1 ARG 14 8.231 3.482 0.495
103 HD2 ARG 14 HD2 ARG 14 9.646 5.846 -0.683
104 HD3 ARG 14 HD1 ARG 14 8.071 5.985 0.097
105 HE ARG 14 HE ARG 14 9.381 4.866 2.051
106 HH11 ARG 14 HH11 ARG 14 10.601 7.284 -0.176
107 HH12 ARG 14 HH12 ARG 14 11.704 7.969 0.974
108 HH21 ARG 14 HH21 ARG 14 10.845 5.753 3.560
109 HH22 ARG 14 HH22 ARG 14 11.834 7.108 3.100
110 H VAL 15 HN VAL 15 7.706 0.336 -1.386
111 HA VAL 15 HA VAL 15 6.931 1.361 -4.012
112 HB VAL 15 HB VAL 15 5.567 -0.657 -4.218
113 HG11 VAL 15 HG11 VAL 15 7.854 -0.702 -5.045
114 HG12 VAL 15 HG12 VAL 15 7.380 -2.285 -4.431
115 HG13 VAL 15 HG13 VAL 15 8.420 -1.239 -3.465
116 HG21 VAL 15 HG21 VAL 15 5.684 -2.457 -2.603
117 HG22 VAL 15 HG22 VAL 15 5.081 -0.983 -1.841
118 HG23 VAL 15 HG23 VAL 15 6.752 -1.490 -1.582
119 H CYS 16 HN CYS 16 4.999 2.277 -4.325
120 HA CYS 16 HA CYS 16 3.283 2.647 -1.966
121 HB2 CYS 16 HB2 CYS 16 3.761 4.564 -4.262
122 HB3 CYS 16 HB1 CYS 16 2.636 4.831 -2.934
123 H HIS 17 HN HIS 17 1.367 1.707 -2.150
124 HA HIS 17 HA HIS 17 0.184 1.384 -4.798
125 HB2 HIS 17 HB2 HIS 17 -0.291 -1.063 -4.200
126 HB3 HIS 17 HB1 HIS 17 1.336 -0.657 -4.723
127 HD1 HIS 17 HD1 HIS 17 -0.588 -1.940 -1.814
128 HD2 HIS 17 HD2 HIS 17 3.308 -0.836 -2.723
129 HE1 HIS 17 HE1 HIS 17 0.822 -2.814 0.075
130 HE2 HIS 17 HE2 HIS 17 3.183 -2.404 -0.673
131 H ARG 18 HN ARG 18 -2.020 0.908 -4.809
132 HA ARG 18 HA ARG 18 -3.381 1.714 -2.340
133 HB2 ARG 18 HB2 ARG 18 -3.750 3.119 -4.336
134 HB3 ARG 18 HB1 ARG 18 -4.366 1.718 -5.199
135 HG2 ARG 18 HG2 ARG 18 -6.230 1.566 -3.622
136 HG3 ARG 18 HG1 ARG 18 -5.610 2.977 -2.762
137 HD2 ARG 18 HD2 ARG 18 -5.881 4.334 -4.764
138 HD3 ARG 18 HD1 ARG 18 -6.456 2.929 -5.655
139 HE ARG 18 HE ARG 18 -7.897 4.096 -3.359
140 HH11 ARG 18 HH11 ARG 18 -7.870 2.597 -6.524
141 HH12 ARG 18 HH12 ARG 18 -9.588 2.704 -6.730
142 HH21 ARG 18 HH21 ARG 18 -10.170 4.223 -3.624
143 HH22 ARG 18 HH22 ARG 18 -10.896 3.618 -5.081
144 H ARG 19 HN ARG 19 -4.336 0.196 -1.206
145 HA ARG 19 HA ARG 19 -5.032 -2.340 -2.523
146 HB2 ARG 19 HB2 ARG 19 -3.445 -2.574 -0.688
147 HB3 ARG 19 HB1 ARG 19 -4.516 -1.694 0.388
148 HG2 ARG 19 HG2 ARG 19 -6.112 -3.474 0.344
149 HG3 ARG 19 HG1 ARG 19 -5.189 -4.324 -0.898
150 HD2 ARG 19 HD2 ARG 19 -3.387 -4.722 0.607
151 HD3 ARG 19 HD1 ARG 19 -4.096 -3.662 1.824
152 HE ARG 19 HE ARG 19 -5.964 -5.624 1.321
153 HH11 ARG 19 HH11 ARG 19 -2.673 -5.499 2.493
154 HH12 ARG 19 HH12 ARG 19 -2.863 -6.859 3.550
155 HH21 ARG 19 HH21 ARG 19 -6.224 -7.415 2.694
156 HH22 ARG 19 HH22 ARG 19 -4.887 -7.961 3.657
157 H CYS 20 HN CYS 20 -7.080 -3.192 -2.330
158 HA CYS 20 HA CYS 20 -9.084 -1.446 -1.072
159 HB2 CYS 20 HB2 CYS 20 -9.251 -2.948 -3.685
160 HB3 CYS 20 HB1 CYS 20 -10.655 -2.259 -2.876
161 H ASN 21 HN ASN 21 -10.484 -2.363 0.268
162 HA ASN 21 HA ASN 21 -10.603 -5.303 0.386
163 HB2 ASN 21 HB2 ASN 21 -9.279 -4.320 2.278
164 HB3 ASN 21 HB1 ASN 21 -10.721 -3.435 2.765
165 HD21 ASN 21 HD21 ASN 21 -10.998 -4.425 4.711
166 HD22 ASN 21 HD22 ASN 21 -11.416 -6.094 4.881
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -17.910 2.883 -0.531
2 H2 GLY 1 HT2 GLY 1 -18.181 1.232 -0.773
3 H3 GLY 1 HT3 GLY 1 -17.212 2.095 -1.852
4 HA2 GLY 1 HA1 GLY 1 -16.577 1.618 1.003
5 HA3 GLY 1 HA2 GLY 1 -15.888 0.726 -0.347
6 H PHE 2 HN PHE 2 -13.945 1.651 0.923
7 HA PHE 2 HA PHE 2 -13.197 4.173 -0.401
8 HB2 PHE 2 HB2 PHE 2 -12.509 3.311 2.418
9 HB3 PHE 2 HB1 PHE 2 -11.781 4.687 1.599
10 HD1 PHE 2 HD1 PHE 2 -13.181 6.645 1.003
11 HD2 PHE 2 HD2 PHE 2 -14.655 3.453 3.399
12 HE1 PHE 2 HE1 PHE 2 -15.015 8.085 1.787
13 HE2 PHE 2 HE2 PHE 2 -16.493 4.886 4.181
14 HZ PHE 2 HZ PHE 2 -16.686 7.200 3.352
15 H CYS 3 HN CYS 3 -10.761 4.444 -0.398
16 HA CYS 3 HA CYS 3 -9.391 1.861 -0.738
17 HB2 CYS 3 HB2 CYS 3 -9.066 4.283 -2.526
18 HB3 CYS 3 HB1 CYS 3 -8.219 2.751 -2.691
19 H TRP 4 HN TRP 4 -7.059 1.989 -0.462
20 HA TRP 4 HA TRP 4 -5.991 4.490 0.551
21 HB2 TRP 4 HB2 TRP 4 -5.094 3.493 2.605
22 HB3 TRP 4 HB1 TRP 4 -6.851 3.429 2.586
23 HD1 TRP 4 HD1 TRP 4 -3.768 1.187 2.514
24 HE1 TRP 4 HE1 TRP 4 -4.500 -1.242 2.949
25 HE3 TRP 4 HE3 TRP 4 -8.840 1.808 2.275
26 HZ2 TRP 4 HZ2 TRP 4 -6.905 -2.695 3.167
27 HZ3 TRP 4 HZ3 TRP 4 -10.283 -0.154 2.613
28 HH2 TRP 4 HH2 TRP 4 -9.333 -2.358 3.047
29 H ASN 5 HN ASN 5 -3.675 4.479 0.711
30 HA ASN 5 HA ASN 5 -2.443 2.412 -0.987
31 HB2 ASN 5 HB2 ASN 5 -1.683 5.327 -0.665
32 HB3 ASN 5 HB1 ASN 5 -0.750 4.150 -1.580
33 HD21 ASN 5 HD21 ASN 5 -3.645 6.048 -1.464
34 HD22 ASN 5 HD22 ASN 5 -4.100 5.823 -3.117
35 H VAL 6 HN VAL 6 -1.635 1.030 0.495
36 HA VAL 6 HA VAL 6 -0.079 2.127 2.721
37 HB VAL 6 HB VAL 6 -1.775 0.362 3.201
38 HG11 VAL 6 HG11 VAL 6 -1.289 -1.960 2.597
39 HG12 VAL 6 HG12 VAL 6 0.083 -1.413 1.633
40 HG13 VAL 6 HG13 VAL 6 -1.555 -0.952 1.174
41 HG21 VAL 6 HG21 VAL 6 0.082 0.719 4.722
42 HG22 VAL 6 HG22 VAL 6 1.083 -0.393 3.788
43 HG23 VAL 6 HG23 VAL 6 -0.335 -0.992 4.649
44 H CYS 7 HN CYS 7 2.118 1.549 3.018
45 HA CYS 7 HA CYS 7 3.400 0.516 0.585
46 HB2 CYS 7 HB2 CYS 7 4.312 2.945 2.130
47 HB3 CYS 7 HB1 CYS 7 5.062 2.291 0.679
48 H VAL 8 HN VAL 8 5.093 -0.795 0.867
49 HA VAL 8 HA VAL 8 6.359 -0.892 3.525
50 HB VAL 8 HB VAL 8 6.845 -3.315 3.086
51 HG11 VAL 8 HG11 VAL 8 3.944 -2.523 3.283
52 HG12 VAL 8 HG12 VAL 8 5.082 -2.699 4.618
53 HG13 VAL 8 HG13 VAL 8 4.589 -4.113 3.686
54 HG21 VAL 8 HG21 VAL 8 4.814 -2.966 0.880
55 HG22 VAL 8 HG22 VAL 8 5.456 -4.508 1.450
56 HG23 VAL 8 HG23 VAL 8 6.525 -3.341 0.673
57 H TYR 9 HN TYR 9 8.616 -1.212 3.518
58 HA TYR 9 HA TYR 9 9.873 -0.530 0.967
59 HB2 TYR 9 HB2 TYR 9 10.875 -0.430 3.813
60 HB3 TYR 9 HB1 TYR 9 11.925 -0.168 2.425
61 HD1 TYR 9 HD1 TYR 9 11.597 1.818 0.981
62 HD2 TYR 9 HD2 TYR 9 9.330 1.241 4.532
63 HE1 TYR 9 HE1 TYR 9 10.951 4.190 0.947
64 HE2 TYR 9 HE2 TYR 9 8.675 3.609 4.506
65 HH TYR 9 HH TYR 9 9.114 5.619 1.828
66 H ARG 10 HN ARG 10 10.868 -2.014 -0.221
67 HA ARG 10 HA ARG 10 11.767 -4.471 1.128
68 HB2 ARG 10 HB2 ARG 10 9.583 -4.870 0.022
69 HB3 ARG 10 HB1 ARG 10 10.285 -4.378 -1.514
70 HG2 ARG 10 HG2 ARG 10 11.888 -6.246 -1.343
71 HG3 ARG 10 HG1 ARG 10 11.098 -6.755 0.151
72 HD2 ARG 10 HD2 ARG 10 10.255 -8.084 -1.662
73 HD3 ARG 10 HD1 ARG 10 8.979 -6.999 -1.116
74 HE ARG 10 HE ARG 10 10.486 -5.909 -3.285
75 HH11 ARG 10 HH11 ARG 10 7.883 -8.118 -2.494
76 HH12 ARG 10 HH12 ARG 10 7.107 -7.948 -4.035
77 HH21 ARG 10 HH21 ARG 10 9.463 -5.703 -5.318
78 HH22 ARG 10 HH22 ARG 10 8.002 -6.580 -5.637
79 H ASN 11 HN ASN 11 13.893 -4.071 1.026
80 HA ASN 11 HA ASN 11 15.990 -4.105 0.172
81 HB2 ASN 11 HB2 ASN 11 15.015 -5.918 -1.291
82 HB3 ASN 11 HB1 ASN 11 14.749 -4.692 -2.523
83 HD21 ASN 11 HD21 ASN 11 16.119 -5.793 -3.941
84 HD22 ASN 11 HD22 ASN 11 17.838 -5.751 -3.761
85 H GLY 12 HN GLY 12 14.957 -1.674 0.560
86 HA2 GLY 12 HA2 GLY 12 15.874 0.428 0.200
87 HA3 GLY 12 HA1 GLY 12 16.598 -0.169 -1.282
88 H VAL 13 HN VAL 13 13.523 -1.093 -1.640
89 HA VAL 13 HA VAL 13 12.829 1.445 -2.955
90 HB VAL 13 HB VAL 13 13.301 -0.561 -4.437
91 HG11 VAL 13 HG11 VAL 13 11.495 -2.175 -4.746
92 HG12 VAL 13 HG12 VAL 13 10.648 -1.481 -3.363
93 HG13 VAL 13 HG13 VAL 13 12.207 -2.278 -3.137
94 HG21 VAL 13 HG21 VAL 13 10.608 0.770 -4.652
95 HG22 VAL 13 HG22 VAL 13 11.445 -0.062 -5.961
96 HG23 VAL 13 HG23 VAL 13 12.140 1.399 -5.259
97 H ARG 14 HN ARG 14 10.728 2.193 -2.858
98 HA ARG 14 HA ARG 14 9.166 1.167 -0.623
99 HB2 ARG 14 HB2 ARG 14 9.574 3.562 -0.678
100 HB3 ARG 14 HB1 ARG 14 8.886 3.673 -2.290
101 HG2 ARG 14 HG2 ARG 14 6.703 3.174 -1.469
102 HG3 ARG 14 HG1 ARG 14 7.339 2.794 0.135
103 HD2 ARG 14 HD2 ARG 14 7.973 5.075 0.491
104 HD3 ARG 14 HD1 ARG 14 7.578 5.497 -1.175
105 HE ARG 14 HE ARG 14 5.213 4.835 -0.502
106 HH11 ARG 14 HH11 ARG 14 7.528 6.170 1.769
107 HH12 ARG 14 HH12 ARG 14 6.317 6.955 2.729
108 HH21 ARG 14 HH21 ARG 14 3.623 5.876 0.767
109 HH22 ARG 14 HH22 ARG 14 4.105 6.789 2.163
110 H VAL 15 HN VAL 15 7.693 -0.300 -1.000
111 HA VAL 15 HA VAL 15 6.464 -0.462 -3.665
112 HB VAL 15 HB VAL 15 6.567 -2.588 -1.516
113 HG11 VAL 15 HG11 VAL 15 4.709 -2.878 -3.050
114 HG12 VAL 15 HG12 VAL 15 5.942 -4.110 -3.336
115 HG13 VAL 15 HG13 VAL 15 5.801 -2.731 -4.427
116 HG21 VAL 15 HG21 VAL 15 8.282 -3.657 -2.932
117 HG22 VAL 15 HG22 VAL 15 8.807 -2.108 -2.271
118 HG23 VAL 15 HG23 VAL 15 8.296 -2.219 -3.956
119 H CYS 16 HN CYS 16 4.700 0.797 -3.577
120 HA CYS 16 HA CYS 16 2.937 0.668 -1.251
121 HB2 CYS 16 HB2 CYS 16 2.943 2.507 -3.648
122 HB3 CYS 16 HB1 CYS 16 1.777 2.588 -2.331
123 H HIS 17 HN HIS 17 0.726 0.228 -1.417
124 HA HIS 17 HA HIS 17 -0.179 -1.012 -3.926
125 HB2 HIS 17 HB2 HIS 17 -0.671 -2.156 -1.170
126 HB3 HIS 17 HB1 HIS 17 -1.240 -2.828 -2.690
127 HD1 HIS 17 HD1 HIS 17 1.481 -3.074 -0.319
128 HD2 HIS 17 HD2 HIS 17 1.011 -3.700 -4.403
129 HE1 HIS 17 HE1 HIS 17 3.447 -4.471 -1.019
130 HE2 HIS 17 HE2 HIS 17 3.080 -4.937 -3.467
131 H ARG 18 HN ARG 18 -2.219 -0.530 -4.476
132 HA ARG 18 HA ARG 18 -3.731 1.212 -2.661
133 HB2 ARG 18 HB2 ARG 18 -3.159 2.193 -4.849
134 HB3 ARG 18 HB1 ARG 18 -3.979 0.865 -5.658
135 HG2 ARG 18 HG2 ARG 18 -6.101 1.566 -4.678
136 HG3 ARG 18 HG1 ARG 18 -5.283 2.888 -3.844
137 HD2 ARG 18 HD2 ARG 18 -6.355 3.719 -5.845
138 HD3 ARG 18 HD1 ARG 18 -4.606 3.812 -6.018
139 HE ARG 18 HE ARG 18 -6.267 1.702 -7.256
140 HH11 ARG 18 HH11 ARG 18 -3.527 3.884 -7.320
141 HH12 ARG 18 HH12 ARG 18 -3.053 3.446 -8.926
142 HH21 ARG 18 HH21 ARG 18 -5.642 1.121 -9.373
143 HH22 ARG 18 HH22 ARG 18 -4.250 1.864 -10.093
144 H ARG 19 HN ARG 19 -5.048 -0.024 -1.489
145 HA ARG 19 HA ARG 19 -6.496 -2.192 -2.856
146 HB2 ARG 19 HB2 ARG 19 -5.062 -2.873 -0.949
147 HB3 ARG 19 HB1 ARG 19 -5.999 -1.822 0.105
148 HG2 ARG 19 HG2 ARG 19 -7.984 -3.156 -0.300
149 HG3 ARG 19 HG1 ARG 19 -7.079 -4.188 -1.410
150 HD2 ARG 19 HD2 ARG 19 -5.626 -4.899 0.389
151 HD3 ARG 19 HD1 ARG 19 -6.436 -3.800 1.505
152 HE ARG 19 HE ARG 19 -8.089 -5.821 0.218
153 HH11 ARG 19 HH11 ARG 19 -6.256 -4.845 3.038
154 HH12 ARG 19 HH12 ARG 19 -7.105 -5.906 4.118
155 HH21 ARG 19 HH21 ARG 19 -9.210 -7.228 1.636
156 HH22 ARG 19 HH22 ARG 19 -8.782 -7.272 3.316
157 H CYS 20 HN CYS 20 -8.689 -2.251 -2.834
158 HA CYS 20 HA CYS 20 -10.054 0.032 -1.574
159 HB2 CYS 20 HB2 CYS 20 -10.579 -1.254 -4.258
160 HB3 CYS 20 HB1 CYS 20 -11.652 -0.080 -3.507
161 H ASN 21 HN ASN 21 -11.785 -0.385 -0.363
162 HA ASN 21 HA ASN 21 -13.176 -2.942 -0.665
163 HB2 ASN 21 HB2 ASN 21 -11.995 -1.866 1.894
164 HB3 ASN 21 HB1 ASN 21 -13.360 -2.977 1.909
165 HD21 ASN 21 HD21 ASN 21 -9.985 -2.595 1.194
166 HD22 ASN 21 HD22 ASN 21 -9.614 -4.278 1.070
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -16.727 -1.152 -0.766
2 H2 GLY 1 HT2 GLY 1 -16.529 -2.829 -0.747
3 H3 GLY 1 HT3 GLY 1 -15.653 -1.887 -1.843
4 HA2 GLY 1 HA1 GLY 1 -15.369 -1.848 1.106
5 HA3 GLY 1 HA2 GLY 1 -14.240 -2.579 -0.026
6 H PHE 2 HN PHE 2 -12.894 -0.985 1.359
7 HA PHE 2 HA PHE 2 -12.928 1.653 0.033
8 HB2 PHE 2 HB2 PHE 2 -11.811 0.907 2.740
9 HB3 PHE 2 HB1 PHE 2 -11.688 2.495 2.002
10 HD1 PHE 2 HD1 PHE 2 -13.837 3.735 1.470
11 HD2 PHE 2 HD2 PHE 2 -13.681 0.331 4.019
12 HE1 PHE 2 HE1 PHE 2 -15.996 4.378 2.458
13 HE2 PHE 2 HE2 PHE 2 -15.841 0.969 5.008
14 HZ PHE 2 HZ PHE 2 -17.000 2.995 4.228
15 H CYS 3 HN CYS 3 -10.737 2.656 -0.146
16 HA CYS 3 HA CYS 3 -8.599 0.701 -0.547
17 HB2 CYS 3 HB2 CYS 3 -9.574 2.623 -2.670
18 HB3 CYS 3 HB1 CYS 3 -8.099 1.671 -2.781
19 H TRP 4 HN TRP 4 -6.611 1.469 -0.078
20 HA TRP 4 HA TRP 4 -6.276 4.368 0.266
21 HB2 TRP 4 HB2 TRP 4 -5.074 3.981 2.394
22 HB3 TRP 4 HB1 TRP 4 -6.760 3.493 2.482
23 HD1 TRP 4 HD1 TRP 4 -3.236 2.113 2.725
24 HE1 TRP 4 HE1 TRP 4 -3.342 -0.342 3.493
25 HE3 TRP 4 HE3 TRP 4 -8.282 1.355 2.327
26 HZ2 TRP 4 HZ2 TRP 4 -5.303 -2.335 3.859
27 HZ3 TRP 4 HZ3 TRP 4 -9.188 -0.856 2.905
28 HH2 TRP 4 HH2 TRP 4 -7.729 -2.661 3.656
29 H ASN 5 HN ASN 5 -4.158 5.126 -0.007
30 HA ASN 5 HA ASN 5 -2.428 3.317 -1.497
31 HB2 ASN 5 HB2 ASN 5 -2.062 6.268 -0.916
32 HB3 ASN 5 HB1 ASN 5 -1.111 5.305 -2.041
33 HD21 ASN 5 HD21 ASN 5 -4.026 7.034 -1.514
34 HD22 ASN 5 HD22 ASN 5 -4.663 6.877 -3.115
35 H VAL 6 HN VAL 6 -1.128 2.078 -0.325
36 HA VAL 6 HA VAL 6 0.116 3.273 2.065
37 HB VAL 6 HB VAL 6 -1.382 1.384 2.586
38 HG11 VAL 6 HG11 VAL 6 0.515 -0.218 0.893
39 HG12 VAL 6 HG12 VAL 6 -1.184 0.116 0.548
40 HG13 VAL 6 HG13 VAL 6 -0.746 -0.893 1.927
41 HG21 VAL 6 HG21 VAL 6 0.501 1.822 4.048
42 HG22 VAL 6 HG22 VAL 6 1.536 0.801 3.052
43 HG23 VAL 6 HG23 VAL 6 0.194 0.090 3.946
44 H CYS 7 HN CYS 7 2.295 2.946 2.411
45 HA CYS 7 HA CYS 7 3.811 2.071 0.049
46 HB2 CYS 7 HB2 CYS 7 4.509 4.254 2.024
47 HB3 CYS 7 HB1 CYS 7 5.512 3.741 0.672
48 H VAL 8 HN VAL 8 4.512 0.097 0.554
49 HA VAL 8 HA VAL 8 5.757 -0.301 3.187
50 HB VAL 8 HB VAL 8 5.587 -2.742 2.701
51 HG11 VAL 8 HG11 VAL 8 3.935 -1.633 4.096
52 HG12 VAL 8 HG12 VAL 8 3.180 -2.904 3.134
53 HG13 VAL 8 HG13 VAL 8 2.988 -1.215 2.669
54 HG21 VAL 8 HG21 VAL 8 3.972 -1.795 0.338
55 HG22 VAL 8 HG22 VAL 8 4.024 -3.458 0.918
56 HG23 VAL 8 HG23 VAL 8 5.486 -2.699 0.289
57 H TYR 9 HN TYR 9 7.840 -1.028 3.336
58 HA TYR 9 HA TYR 9 9.421 -0.647 0.922
59 HB2 TYR 9 HB2 TYR 9 10.170 -0.860 3.838
60 HB3 TYR 9 HB1 TYR 9 11.364 -0.790 2.544
61 HD1 TYR 9 HD1 TYR 9 11.779 1.269 1.346
62 HD2 TYR 9 HD2 TYR 9 8.785 1.080 4.360
63 HE1 TYR 9 HE1 TYR 9 11.673 3.725 1.386
64 HE2 TYR 9 HE2 TYR 9 8.666 3.533 4.404
65 HH TYR 9 HH TYR 9 9.974 5.492 2.034
66 H ARG 10 HN ARG 10 9.552 -2.378 -0.314
67 HA ARG 10 HA ARG 10 10.142 -4.955 0.990
68 HB2 ARG 10 HB2 ARG 10 8.541 -4.471 -1.532
69 HB3 ARG 10 HB1 ARG 10 9.024 -6.055 -0.939
70 HG2 ARG 10 HG2 ARG 10 7.749 -5.554 1.160
71 HG3 ARG 10 HG1 ARG 10 7.132 -4.110 0.354
72 HD2 ARG 10 HD2 ARG 10 5.526 -5.896 0.141
73 HD3 ARG 10 HD1 ARG 10 6.224 -5.543 -1.440
74 HE ARG 10 HE ARG 10 7.565 -7.661 -0.033
75 HH11 ARG 10 HH11 ARG 10 4.901 -6.879 -2.155
76 HH12 ARG 10 HH12 ARG 10 4.798 -8.476 -2.823
77 HH21 ARG 10 HH21 ARG 10 7.436 -9.766 -0.904
78 HH22 ARG 10 HH22 ARG 10 6.238 -10.124 -2.104
79 H ASN 11 HN ASN 11 12.010 -5.830 0.453
80 HA ASN 11 HA ASN 11 14.009 -6.206 -0.550
81 HB2 ASN 11 HB2 ASN 11 12.578 -5.193 -3.013
82 HB3 ASN 11 HB1 ASN 11 14.202 -5.867 -3.027
83 HD21 ASN 11 HD21 ASN 11 11.792 -6.793 -4.373
84 HD22 ASN 11 HD22 ASN 11 11.541 -8.420 -3.832
85 H GLY 12 HN GLY 12 13.116 -3.506 0.530
86 HA2 GLY 12 HA2 GLY 12 14.702 -1.864 1.189
87 HA3 GLY 12 HA1 GLY 12 15.560 -2.128 -0.317
88 H VAL 13 HN VAL 13 12.716 -1.991 -1.632
89 HA VAL 13 HA VAL 13 12.934 0.883 -2.031
90 HB VAL 13 HB VAL 13 11.564 0.453 -4.040
91 HG11 VAL 13 HG11 VAL 13 13.353 -0.611 -5.336
92 HG12 VAL 13 HG12 VAL 13 14.105 -1.137 -3.830
93 HG13 VAL 13 HG13 VAL 13 13.981 0.582 -4.200
94 HG21 VAL 13 HG21 VAL 13 10.413 -1.551 -3.342
95 HG22 VAL 13 HG22 VAL 13 11.937 -2.434 -3.326
96 HG23 VAL 13 HG23 VAL 13 11.283 -1.833 -4.848
97 H ARG 14 HN ARG 14 11.031 2.154 -2.310
98 HA ARG 14 HA ARG 14 9.028 1.515 -0.302
99 HB2 ARG 14 HB2 ARG 14 10.101 3.714 -0.254
100 HB3 ARG 14 HB1 ARG 14 9.555 4.034 -1.891
101 HG2 ARG 14 HG2 ARG 14 7.256 4.082 -1.162
102 HG3 ARG 14 HG1 ARG 14 7.739 3.620 0.474
103 HD2 ARG 14 HD2 ARG 14 8.966 5.683 0.737
104 HD3 ARG 14 HD1 ARG 14 8.638 6.130 -0.935
105 HE ARG 14 HE ARG 14 6.315 6.407 -0.338
106 HH11 ARG 14 HH11 ARG 14 8.535 6.060 2.364
107 HH12 ARG 14 HH12 ARG 14 7.490 6.891 3.479
108 HH21 ARG 14 HH21 ARG 14 4.960 7.499 1.131
109 HH22 ARG 14 HH22 ARG 14 5.460 7.698 2.781
110 H VAL 15 HN VAL 15 7.534 0.148 -1.118
111 HA VAL 15 HA VAL 15 6.480 0.575 -3.798
112 HB VAL 15 HB VAL 15 5.844 -1.559 -1.749
113 HG11 VAL 15 HG11 VAL 15 4.767 -2.750 -3.621
114 HG12 VAL 15 HG12 VAL 15 4.996 -1.326 -4.635
115 HG13 VAL 15 HG13 VAL 15 3.948 -1.241 -3.219
116 HG21 VAL 15 HG21 VAL 15 7.556 -1.633 -4.227
117 HG22 VAL 15 HG22 VAL 15 7.143 -3.030 -3.234
118 HG23 VAL 15 HG23 VAL 15 8.118 -1.725 -2.559
119 H CYS 16 HN CYS 16 5.242 2.383 -3.719
120 HA CYS 16 HA CYS 16 3.082 2.545 -1.772
121 HB2 CYS 16 HB2 CYS 16 3.941 4.446 -3.965
122 HB3 CYS 16 HB1 CYS 16 2.607 4.740 -2.852
123 H HIS 17 HN HIS 17 1.191 1.670 -2.173
124 HA HIS 17 HA HIS 17 0.163 1.510 -4.881
125 HB2 HIS 17 HB2 HIS 17 -0.099 -0.910 -4.868
126 HB3 HIS 17 HB1 HIS 17 1.597 -0.498 -4.677
127 HD1 HIS 17 HD1 HIS 17 2.420 -0.572 -2.026
128 HD2 HIS 17 HD2 HIS 17 -0.978 -2.710 -3.079
129 HE1 HIS 17 HE1 HIS 17 2.074 -2.242 -0.181
130 HE2 HIS 17 HE2 HIS 17 0.128 -3.647 -0.944
131 H ARG 18 HN ARG 18 -2.063 0.911 -4.946
132 HA ARG 18 HA ARG 18 -3.438 1.768 -2.549
133 HB2 ARG 18 HB2 ARG 18 -4.185 2.788 -4.563
134 HB3 ARG 18 HB1 ARG 18 -4.348 1.236 -5.371
135 HG2 ARG 18 HG2 ARG 18 -6.240 0.662 -4.041
136 HG3 ARG 18 HG1 ARG 18 -6.003 2.070 -3.004
137 HD2 ARG 18 HD2 ARG 18 -6.464 2.357 -5.950
138 HD3 ARG 18 HD1 ARG 18 -7.808 2.188 -4.825
139 HE ARG 18 HE ARG 18 -6.534 4.195 -3.691
140 HH11 ARG 18 HH11 ARG 18 -7.066 3.660 -7.112
141 HH12 ARG 18 HH12 ARG 18 -7.226 5.348 -7.474
142 HH21 ARG 18 HH21 ARG 18 -6.745 6.408 -4.168
143 HH22 ARG 18 HH22 ARG 18 -7.046 6.910 -5.803
144 H ARG 19 HN ARG 19 -3.854 0.332 -1.063
145 HA ARG 19 HA ARG 19 -4.489 -2.435 -1.775
146 HB2 ARG 19 HB2 ARG 19 -2.836 -1.933 0.042
147 HB3 ARG 19 HB1 ARG 19 -4.125 -1.165 0.951
148 HG2 ARG 19 HG2 ARG 19 -5.302 -3.270 1.120
149 HG3 ARG 19 HG1 ARG 19 -4.071 -4.057 0.129
150 HD2 ARG 19 HD2 ARG 19 -2.384 -3.595 1.813
151 HD3 ARG 19 HD1 ARG 19 -3.570 -2.730 2.789
152 HE ARG 19 HE ARG 19 -4.060 -5.541 2.161
153 HH11 ARG 19 HH11 ARG 19 -3.158 -3.108 4.514
154 HH12 ARG 19 HH12 ARG 19 -3.475 -4.132 5.876
155 HH21 ARG 19 HH21 ARG 19 -4.467 -6.892 3.963
156 HH22 ARG 19 HH22 ARG 19 -4.215 -6.281 5.567
157 H CYS 20 HN CYS 20 -6.534 -3.276 -1.532
158 HA CYS 20 HA CYS 20 -8.586 -1.377 -0.611
159 HB2 CYS 20 HB2 CYS 20 -8.736 -3.363 -2.882
160 HB3 CYS 20 HB1 CYS 20 -10.113 -2.453 -2.271
161 H ASN 21 HN ASN 21 -10.313 -2.119 0.529
162 HA ASN 21 HA ASN 21 -10.519 -4.963 1.157
163 HB2 ASN 21 HB2 ASN 21 -9.183 -4.109 3.000
164 HB3 ASN 21 HB1 ASN 21 -10.307 -2.776 3.241
165 HD21 ASN 21 HD21 ASN 21 -10.685 -3.347 5.368
166 HD22 ASN 21 HD22 ASN 21 -11.632 -4.727 5.805
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -16.114 -1.388 -0.740
2 H2 GLY 1 HT2 GLY 1 -16.784 -1.067 0.776
3 H3 GLY 1 HT3 GLY 1 -16.712 -2.656 0.204
4 HA2 GLY 1 HA1 GLY 1 -15.005 -2.294 1.852
5 HA3 GLY 1 HA2 GLY 1 -14.301 -2.608 0.272
6 H PHE 2 HN PHE 2 -12.510 -1.505 1.649
7 HA PHE 2 HA PHE 2 -12.691 1.404 1.173
8 HB2 PHE 2 HB2 PHE 2 -11.038 -0.046 3.249
9 HB3 PHE 2 HB1 PHE 2 -11.008 1.686 2.962
10 HD1 PHE 2 HD1 PHE 2 -12.830 3.100 3.672
11 HD2 PHE 2 HD2 PHE 2 -12.907 -1.094 4.382
12 HE1 PHE 2 HE1 PHE 2 -14.659 3.410 5.287
13 HE2 PHE 2 HE2 PHE 2 -14.738 -0.792 5.996
14 HZ PHE 2 HZ PHE 2 -15.617 1.463 6.449
15 H CYS 3 HN CYS 3 -10.598 2.426 0.717
16 HA CYS 3 HA CYS 3 -8.607 0.671 -0.501
17 HB2 CYS 3 HB2 CYS 3 -9.878 3.020 -1.928
18 HB3 CYS 3 HB1 CYS 3 -8.488 2.114 -2.512
19 H TRP 4 HN TRP 4 -6.553 1.404 -0.256
20 HA TRP 4 HA TRP 4 -6.100 4.155 0.575
21 HB2 TRP 4 HB2 TRP 4 -4.805 3.443 2.567
22 HB3 TRP 4 HB1 TRP 4 -6.511 3.034 2.695
23 HD1 TRP 4 HD1 TRP 4 -3.065 1.458 2.464
24 HE1 TRP 4 HE1 TRP 4 -3.254 -1.068 2.926
25 HE3 TRP 4 HE3 TRP 4 -8.162 1.014 2.477
26 HZ2 TRP 4 HZ2 TRP 4 -5.288 -2.984 3.247
27 HZ3 TRP 4 HZ3 TRP 4 -9.145 -1.207 2.872
28 HH2 TRP 4 HH2 TRP 4 -7.736 -3.163 3.252
29 H ASN 5 HN ASN 5 -4.060 4.896 0.104
30 HA ASN 5 HA ASN 5 -2.375 3.033 -1.399
31 HB2 ASN 5 HB2 ASN 5 -1.245 5.063 -2.287
32 HB3 ASN 5 HB1 ASN 5 -2.955 4.990 -2.683
33 HD21 ASN 5 HD21 ASN 5 -1.075 7.232 -2.543
34 HD22 ASN 5 HD22 ASN 5 -1.790 8.381 -1.465
35 H VAL 6 HN VAL 6 -1.107 2.007 -0.019
36 HA VAL 6 HA VAL 6 0.246 3.561 2.072
37 HB VAL 6 HB VAL 6 -1.103 1.607 2.810
38 HG11 VAL 6 HG11 VAL 6 0.934 0.012 1.272
39 HG12 VAL 6 HG12 VAL 6 -0.787 0.143 0.915
40 HG13 VAL 6 HG13 VAL 6 -0.254 -0.660 2.391
41 HG21 VAL 6 HG21 VAL 6 0.624 0.601 4.256
42 HG22 VAL 6 HG22 VAL 6 0.705 2.360 4.213
43 HG23 VAL 6 HG23 VAL 6 1.864 1.403 3.292
44 H CYS 7 HN CYS 7 2.477 3.371 2.364
45 HA CYS 7 HA CYS 7 3.935 2.336 0.027
46 HB2 CYS 7 HB2 CYS 7 4.679 4.611 1.877
47 HB3 CYS 7 HB1 CYS 7 5.681 4.002 0.565
48 H VAL 8 HN VAL 8 4.541 0.356 0.662
49 HA VAL 8 HA VAL 8 5.822 0.072 3.292
50 HB VAL 8 HB VAL 8 5.513 -2.366 3.001
51 HG11 VAL 8 HG11 VAL 8 2.987 -0.743 2.728
52 HG12 VAL 8 HG12 VAL 8 3.864 -1.063 4.224
53 HG13 VAL 8 HG13 VAL 8 3.092 -2.390 3.353
54 HG21 VAL 8 HG21 VAL 8 4.008 -1.572 0.509
55 HG22 VAL 8 HG22 VAL 8 4.014 -3.184 1.224
56 HG23 VAL 8 HG23 VAL 8 5.506 -2.498 0.581
57 H TYR 9 HN TYR 9 7.843 -0.889 3.460
58 HA TYR 9 HA TYR 9 9.456 -0.631 1.050
59 HB2 TYR 9 HB2 TYR 9 10.185 -0.933 3.962
60 HB3 TYR 9 HB1 TYR 9 11.376 -0.930 2.665
61 HD1 TYR 9 HD1 TYR 9 11.751 1.106 1.331
62 HD2 TYR 9 HD2 TYR 9 9.129 1.102 4.681
63 HE1 TYR 9 HE1 TYR 9 11.817 3.565 1.380
64 HE2 TYR 9 HE2 TYR 9 9.186 3.560 4.736
65 HH TYR 9 HH TYR 9 10.655 5.386 4.002
66 H ARG 10 HN ARG 10 9.565 -2.332 -0.192
67 HA ARG 10 HA ARG 10 9.785 -4.992 1.060
68 HB2 ARG 10 HB2 ARG 10 8.588 -4.213 -1.605
69 HB3 ARG 10 HB1 ARG 10 8.867 -5.872 -1.098
70 HG2 ARG 10 HG2 ARG 10 7.318 -5.553 0.775
71 HG3 ARG 10 HG1 ARG 10 7.029 -3.895 0.238
72 HD2 ARG 10 HD2 ARG 10 6.158 -4.712 -1.880
73 HD3 ARG 10 HD1 ARG 10 6.503 -6.369 -1.400
74 HE ARG 10 HE ARG 10 4.812 -5.206 0.515
75 HH11 ARG 10 HH11 ARG 10 4.774 -6.297 -2.809
76 HH12 ARG 10 HH12 ARG 10 3.083 -6.683 -2.804
77 HH21 ARG 10 HH21 ARG 10 2.573 -5.702 0.532
78 HH22 ARG 10 HH22 ARG 10 1.828 -6.348 -0.896
79 H ASN 11 HN ASN 11 11.885 -5.479 1.056
80 HA ASN 11 HA ASN 11 13.949 -6.036 0.308
81 HB2 ASN 11 HB2 ASN 11 12.681 -5.891 -2.434
82 HB3 ASN 11 HB1 ASN 11 14.269 -6.562 -2.087
83 HD21 ASN 11 HD21 ASN 11 10.887 -7.080 -2.056
84 HD22 ASN 11 HD22 ASN 11 10.922 -8.722 -1.520
85 H GLY 12 HN GLY 12 13.261 -3.263 0.723
86 HA2 GLY 12 HA2 GLY 12 14.982 -1.622 0.831
87 HA3 GLY 12 HA1 GLY 12 15.604 -2.216 -0.696
88 H VAL 13 HN VAL 13 12.665 -2.161 -1.697
89 HA VAL 13 HA VAL 13 12.813 0.632 -2.495
90 HB VAL 13 HB VAL 13 11.308 -0.004 -4.293
91 HG11 VAL 13 HG11 VAL 13 13.694 -0.146 -4.677
92 HG12 VAL 13 HG12 VAL 13 12.851 -1.417 -5.563
93 HG13 VAL 13 HG13 VAL 13 13.700 -1.798 -4.065
94 HG21 VAL 13 HG21 VAL 13 11.486 -2.783 -3.184
95 HG22 VAL 13 HG22 VAL 13 10.742 -2.341 -4.722
96 HG23 VAL 13 HG23 VAL 13 10.052 -1.758 -3.206
97 H ARG 14 HN ARG 14 10.974 1.952 -2.532
98 HA ARG 14 HA ARG 14 9.092 1.388 -0.375
99 HB2 ARG 14 HB2 ARG 14 10.264 3.538 -0.360
100 HB3 ARG 14 HB1 ARG 14 9.640 3.908 -1.959
101 HG2 ARG 14 HG2 ARG 14 7.397 4.055 -1.106
102 HG3 ARG 14 HG1 ARG 14 7.932 3.518 0.489
103 HD2 ARG 14 HD2 ARG 14 9.271 5.512 0.753
104 HD3 ARG 14 HD1 ARG 14 8.882 6.028 -0.885
105 HE ARG 14 HE ARG 14 6.576 6.321 -0.138
106 HH11 ARG 14 HH11 ARG 14 9.033 6.051 2.353
107 HH12 ARG 14 HH12 ARG 14 8.119 6.942 3.527
108 HH21 ARG 14 HH21 ARG 14 5.375 7.495 1.417
109 HH22 ARG 14 HH22 ARG 14 6.040 7.749 2.999
110 H VAL 15 HN VAL 15 7.490 0.106 -1.113
111 HA VAL 15 HA VAL 15 6.408 0.501 -3.781
112 HB VAL 15 HB VAL 15 5.692 -1.547 -1.674
113 HG11 VAL 15 HG11 VAL 15 4.615 -2.763 -3.521
114 HG12 VAL 15 HG12 VAL 15 4.936 -1.398 -4.590
115 HG13 VAL 15 HG13 VAL 15 3.849 -1.204 -3.216
116 HG21 VAL 15 HG21 VAL 15 7.978 -1.808 -2.418
117 HG22 VAL 15 HG22 VAL 15 7.462 -1.748 -4.105
118 HG23 VAL 15 HG23 VAL 15 6.981 -3.103 -3.081
119 H CYS 16 HN CYS 16 5.211 2.320 -3.778
120 HA CYS 16 HA CYS 16 3.103 2.662 -1.791
121 HB2 CYS 16 HB2 CYS 16 3.960 4.407 -4.112
122 HB3 CYS 16 HB1 CYS 16 2.687 4.814 -2.965
123 H HIS 17 HN HIS 17 1.291 1.572 -2.115
124 HA HIS 17 HA HIS 17 0.238 1.343 -4.830
125 HB2 HIS 17 HB2 HIS 17 -0.122 -1.063 -4.610
126 HB3 HIS 17 HB1 HIS 17 1.584 -0.677 -4.482
127 HD1 HIS 17 HD1 HIS 17 2.447 -0.542 -1.834
128 HD2 HIS 17 HD2 HIS 17 -1.005 -2.704 -2.659
129 HE1 HIS 17 HE1 HIS 17 2.118 -2.073 0.133
130 HE2 HIS 17 HE2 HIS 17 0.138 -3.501 -0.482
131 H ARG 18 HN ARG 18 -1.941 1.163 -4.966
132 HA ARG 18 HA ARG 18 -3.413 1.849 -2.553
133 HB2 ARG 18 HB2 ARG 18 -3.776 3.139 -4.622
134 HB3 ARG 18 HB1 ARG 18 -4.325 1.678 -5.430
135 HG2 ARG 18 HG2 ARG 18 -6.165 1.529 -3.755
136 HG3 ARG 18 HG1 ARG 18 -5.658 3.108 -3.146
137 HD2 ARG 18 HD2 ARG 18 -7.505 3.320 -4.734
138 HD3 ARG 18 HD1 ARG 18 -6.039 4.087 -5.349
139 HE ARG 18 HE ARG 18 -6.522 1.345 -6.185
140 HH11 ARG 18 HH11 ARG 18 -6.782 4.749 -6.968
141 HH12 ARG 18 HH12 ARG 18 -6.899 4.472 -8.675
142 HH21 ARG 18 HH21 ARG 18 -6.651 0.984 -8.423
143 HH22 ARG 18 HH22 ARG 18 -6.817 2.329 -9.507
144 H ARG 19 HN ARG 19 -4.068 0.221 -1.339
145 HA ARG 19 HA ARG 19 -4.831 -2.312 -2.607
146 HB2 ARG 19 HB2 ARG 19 -3.194 -2.433 -0.776
147 HB3 ARG 19 HB1 ARG 19 -4.326 -1.635 0.300
148 HG2 ARG 19 HG2 ARG 19 -5.824 -3.528 0.175
149 HG3 ARG 19 HG1 ARG 19 -4.758 -4.320 -0.990
150 HD2 ARG 19 HD2 ARG 19 -3.007 -4.488 0.641
151 HD3 ARG 19 HD1 ARG 19 -3.926 -3.518 1.789
152 HE ARG 19 HE ARG 19 -4.983 -6.100 0.881
153 HH11 ARG 19 HH11 ARG 19 -3.728 -4.065 3.441
154 HH12 ARG 19 HH12 ARG 19 -4.277 -5.106 4.714
155 HH21 ARG 19 HH21 ARG 19 -5.695 -7.489 2.573
156 HH22 ARG 19 HH22 ARG 19 -5.379 -7.048 4.223
157 H CYS 20 HN CYS 20 -6.905 -2.701 -2.954
158 HA CYS 20 HA CYS 20 -8.897 -1.287 -1.330
159 HB2 CYS 20 HB2 CYS 20 -9.067 -2.576 -4.051
160 HB3 CYS 20 HB1 CYS 20 -10.495 -2.085 -3.150
161 H ASN 21 HN ASN 21 -10.151 -2.324 0.041
162 HA ASN 21 HA ASN 21 -10.463 -5.226 -0.162
163 HB2 ASN 21 HB2 ASN 21 -8.568 -4.839 1.381
164 HB3 ASN 21 HB1 ASN 21 -9.593 -3.807 2.370
165 HD21 ASN 21 HD21 ASN 21 -11.006 -4.712 3.782
166 HD22 ASN 21 HD22 ASN 21 -11.105 -6.414 4.081
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -16.663 -0.163 -2.095
2 H2 GLY 1 HT2 GLY 1 -15.100 -0.469 -1.537
3 H3 GLY 1 HT3 GLY 1 -15.388 0.833 -2.581
4 HA2 GLY 1 HA1 GLY 1 -16.827 1.839 -0.864
5 HA3 GLY 1 HA2 GLY 1 -16.321 0.549 0.214
6 H PHE 2 HN PHE 2 -14.354 0.682 1.232
7 HA PHE 2 HA PHE 2 -13.122 3.298 1.095
8 HB2 PHE 2 HB2 PHE 2 -11.874 2.466 3.129
9 HB3 PHE 2 HB1 PHE 2 -13.610 2.623 3.305
10 HD1 PHE 2 HD1 PHE 2 -10.776 0.348 3.253
11 HD2 PHE 2 HD2 PHE 2 -15.016 0.623 3.459
12 HE1 PHE 2 HE1 PHE 2 -10.883 -1.972 4.060
13 HE2 PHE 2 HE2 PHE 2 -15.132 -1.701 4.261
14 HZ PHE 2 HZ PHE 2 -13.062 -2.999 4.563
15 H CYS 3 HN CYS 3 -11.290 3.725 0.102
16 HA CYS 3 HA CYS 3 -9.591 1.477 -0.739
17 HB2 CYS 3 HB2 CYS 3 -9.358 4.251 -1.861
18 HB3 CYS 3 HB1 CYS 3 -8.917 2.721 -2.602
19 H TRP 4 HN TRP 4 -7.311 1.637 -0.435
20 HA TRP 4 HA TRP 4 -6.361 3.894 1.164
21 HB2 TRP 4 HB2 TRP 4 -5.329 2.468 2.841
22 HB3 TRP 4 HB1 TRP 4 -7.062 2.170 2.793
23 HD1 TRP 4 HD1 TRP 4 -3.721 0.478 2.243
24 HE1 TRP 4 HE1 TRP 4 -4.096 -2.038 1.857
25 HE3 TRP 4 HE3 TRP 4 -8.815 0.475 1.791
26 HZ2 TRP 4 HZ2 TRP 4 -6.262 -3.786 1.421
27 HZ3 TRP 4 HZ3 TRP 4 -9.960 -1.665 1.391
28 HH2 TRP 4 HH2 TRP 4 -8.702 -3.751 1.206
29 H ASN 5 HN ASN 5 -4.172 4.290 0.996
30 HA ASN 5 HA ASN 5 -2.689 2.606 -0.908
31 HB2 ASN 5 HB2 ASN 5 -3.369 4.796 -1.886
32 HB3 ASN 5 HB1 ASN 5 -2.492 5.610 -0.599
33 HD21 ASN 5 HD21 ASN 5 -1.285 2.690 -2.097
34 HD22 ASN 5 HD22 ASN 5 0.015 3.447 -2.952
35 H VAL 6 HN VAL 6 -1.117 1.608 0.120
36 HA VAL 6 HA VAL 6 0.265 3.008 2.316
37 HB VAL 6 HB VAL 6 -1.154 1.142 3.142
38 HG11 VAL 6 HG11 VAL 6 -1.063 -0.322 1.221
39 HG12 VAL 6 HG12 VAL 6 -0.494 -1.174 2.658
40 HG13 VAL 6 HG13 VAL 6 0.665 -0.577 1.467
41 HG21 VAL 6 HG21 VAL 6 0.823 1.777 4.396
42 HG22 VAL 6 HG22 VAL 6 1.815 0.695 3.420
43 HG23 VAL 6 HG23 VAL 6 0.577 0.035 4.486
44 H CYS 7 HN CYS 7 2.519 2.617 2.497
45 HA CYS 7 HA CYS 7 3.724 1.432 0.092
46 HB2 CYS 7 HB2 CYS 7 4.606 3.935 1.540
47 HB3 CYS 7 HB1 CYS 7 5.482 3.173 0.216
48 H VAL 8 HN VAL 8 4.862 -0.275 0.585
49 HA VAL 8 HA VAL 8 6.162 -0.426 3.219
50 HB VAL 8 HB VAL 8 6.370 -2.842 2.816
51 HG11 VAL 8 HG11 VAL 8 3.994 -3.430 2.979
52 HG12 VAL 8 HG12 VAL 8 3.563 -1.808 2.436
53 HG13 VAL 8 HG13 VAL 8 4.398 -2.032 3.974
54 HG21 VAL 8 HG21 VAL 8 5.238 -3.896 0.913
55 HG22 VAL 8 HG22 VAL 8 6.531 -2.822 0.383
56 HG23 VAL 8 HG23 VAL 8 4.850 -2.303 0.264
57 H TYR 9 HN TYR 9 8.327 -1.619 3.148
58 HA TYR 9 HA TYR 9 9.803 -0.725 0.766
59 HB2 TYR 9 HB2 TYR 9 10.782 -0.984 3.615
60 HB3 TYR 9 HB1 TYR 9 11.797 -0.567 2.238
61 HD1 TYR 9 HD1 TYR 9 11.301 1.569 0.979
62 HD2 TYR 9 HD2 TYR 9 9.534 0.673 4.745
63 HE1 TYR 9 HE1 TYR 9 10.756 3.945 1.283
64 HE2 TYR 9 HE2 TYR 9 8.984 3.048 5.057
65 HH TYR 9 HH TYR 9 9.182 5.328 2.535
66 H ARG 10 HN ARG 10 10.835 -2.172 -0.385
67 HA ARG 10 HA ARG 10 11.195 -4.878 0.730
68 HB2 ARG 10 HB2 ARG 10 9.326 -4.810 -0.878
69 HB3 ARG 10 HB1 ARG 10 10.392 -4.112 -2.088
70 HG2 ARG 10 HG2 ARG 10 11.722 -6.144 -2.122
71 HG3 ARG 10 HG1 ARG 10 10.697 -6.848 -0.869
72 HD2 ARG 10 HD2 ARG 10 10.073 -7.659 -3.089
73 HD3 ARG 10 HD1 ARG 10 8.773 -6.723 -2.354
74 HE ARG 10 HE ARG 10 10.571 -5.329 -4.183
75 HH11 ARG 10 HH11 ARG 10 7.444 -6.803 -3.627
76 HH12 ARG 10 HH12 ARG 10 6.702 -6.050 -5.002
77 HH21 ARG 10 HH21 ARG 10 9.593 -4.326 -5.987
78 HH22 ARG 10 HH22 ARG 10 7.921 -4.632 -6.336
79 H ASN 11 HN ASN 11 13.342 -4.889 1.121
80 HA ASN 11 HA ASN 11 15.583 -4.936 0.758
81 HB2 ASN 11 HB2 ASN 11 14.735 -5.034 -2.142
82 HB3 ASN 11 HB1 ASN 11 16.395 -5.240 -1.594
83 HD21 ASN 11 HD21 ASN 11 14.521 -7.036 -3.007
84 HD22 ASN 11 HD22 ASN 11 14.482 -8.486 -2.067
85 H GLY 12 HN GLY 12 14.120 -2.385 0.923
86 HA2 GLY 12 HA2 GLY 12 15.250 -0.313 1.238
87 HA3 GLY 12 HA1 GLY 12 16.326 -0.733 -0.082
88 H VAL 13 HN VAL 13 13.607 -1.566 -1.496
89 HA VAL 13 HA VAL 13 13.243 1.133 -2.584
90 HB VAL 13 HB VAL 13 13.836 -0.774 -4.133
91 HG11 VAL 13 HG11 VAL 13 12.450 -2.516 -3.173
92 HG12 VAL 13 HG12 VAL 13 12.035 -2.256 -4.868
93 HG13 VAL 13 HG13 VAL 13 10.994 -1.615 -3.596
94 HG21 VAL 13 HG21 VAL 13 12.926 1.299 -4.979
95 HG22 VAL 13 HG22 VAL 13 11.284 0.732 -4.675
96 HG23 VAL 13 HG23 VAL 13 12.278 -0.063 -5.894
97 H ARG 14 HN ARG 14 11.265 2.111 -2.726
98 HA ARG 14 HA ARG 14 9.320 1.267 -0.771
99 HB2 ARG 14 HB2 ARG 14 10.024 3.649 -1.052
100 HB3 ARG 14 HB1 ARG 14 9.248 3.651 -2.629
101 HG2 ARG 14 HG2 ARG 14 7.100 3.095 -1.498
102 HG3 ARG 14 HG1 ARG 14 7.924 3.303 0.049
103 HD2 ARG 14 HD2 ARG 14 6.794 5.346 -0.471
104 HD3 ARG 14 HD1 ARG 14 8.528 5.610 -0.660
105 HE ARG 14 HE ARG 14 7.168 4.868 -3.094
106 HH11 ARG 14 HH11 ARG 14 8.107 7.540 -1.034
107 HH12 ARG 14 HH12 ARG 14 8.051 8.712 -2.313
108 HH21 ARG 14 HH21 ARG 14 7.087 6.403 -4.775
109 HH22 ARG 14 HH22 ARG 14 7.480 8.060 -4.446
110 H VAL 15 HN VAL 15 7.697 -0.020 -1.218
111 HA VAL 15 HA VAL 15 6.676 -0.135 -3.979
112 HB VAL 15 HB VAL 15 6.484 -2.302 -1.882
113 HG11 VAL 15 HG11 VAL 15 5.945 -2.331 -4.847
114 HG12 VAL 15 HG12 VAL 15 4.737 -2.412 -3.565
115 HG13 VAL 15 HG13 VAL 15 5.885 -3.734 -3.780
116 HG21 VAL 15 HG21 VAL 15 8.422 -2.039 -4.175
117 HG22 VAL 15 HG22 VAL 15 8.230 -3.468 -3.159
118 HG23 VAL 15 HG23 VAL 15 8.813 -1.958 -2.457
119 H CYS 16 HN CYS 16 4.908 1.080 -4.064
120 HA CYS 16 HA CYS 16 3.180 1.260 -1.717
121 HB2 CYS 16 HB2 CYS 16 3.271 2.926 -4.236
122 HB3 CYS 16 HB1 CYS 16 2.162 3.192 -2.894
123 H HIS 17 HN HIS 17 1.202 0.453 -1.617
124 HA HIS 17 HA HIS 17 0.014 -0.647 -4.088
125 HB2 HIS 17 HB2 HIS 17 -0.281 -1.770 -1.293
126 HB3 HIS 17 HB1 HIS 17 -0.998 -2.426 -2.755
127 HD1 HIS 17 HD1 HIS 17 1.370 -3.442 -0.570
128 HD2 HIS 17 HD2 HIS 17 1.558 -2.747 -4.663
129 HE1 HIS 17 HE1 HIS 17 3.331 -4.779 -1.393
130 HE2 HIS 17 HE2 HIS 17 3.263 -4.535 -3.895
131 H ARG 18 HN ARG 18 -2.125 -0.203 -4.429
132 HA ARG 18 HA ARG 18 -3.575 1.130 -2.253
133 HB2 ARG 18 HB2 ARG 18 -2.859 2.750 -4.061
134 HB3 ARG 18 HB1 ARG 18 -3.901 1.860 -5.167
135 HG2 ARG 18 HG2 ARG 18 -5.837 2.369 -3.778
136 HG3 ARG 18 HG1 ARG 18 -4.803 3.228 -2.638
137 HD2 ARG 18 HD2 ARG 18 -4.162 4.755 -4.520
138 HD3 ARG 18 HD1 ARG 18 -5.410 3.970 -5.490
139 HE ARG 18 HE ARG 18 -6.250 5.053 -2.926
140 HH11 ARG 18 HH11 ARG 18 -6.014 5.543 -6.381
141 HH12 ARG 18 HH12 ARG 18 -7.256 6.752 -6.419
142 HH21 ARG 18 HH21 ARG 18 -7.875 6.650 -2.970
143 HH22 ARG 18 HH22 ARG 18 -8.308 7.386 -4.483
144 H ARG 19 HN ARG 19 -5.013 -0.292 -1.628
145 HA ARG 19 HA ARG 19 -6.483 -1.815 -3.676
146 HB2 ARG 19 HB2 ARG 19 -6.205 -2.414 -0.721
147 HB3 ARG 19 HB1 ARG 19 -7.050 -3.401 -1.903
148 HG2 ARG 19 HG2 ARG 19 -4.912 -3.796 -3.060
149 HG3 ARG 19 HG1 ARG 19 -4.095 -2.876 -1.795
150 HD2 ARG 19 HD2 ARG 19 -4.799 -4.456 -0.122
151 HD3 ARG 19 HD1 ARG 19 -5.771 -5.329 -1.303
152 HE ARG 19 HE ARG 19 -3.104 -5.260 -2.177
153 HH11 ARG 19 HH11 ARG 19 -5.081 -6.712 0.318
154 HH12 ARG 19 HH12 ARG 19 -4.075 -8.115 0.476
155 HH21 ARG 19 HH21 ARG 19 -1.784 -7.113 -1.986
156 HH22 ARG 19 HH22 ARG 19 -2.196 -8.343 -0.837
157 H CYS 20 HN CYS 20 -8.797 -2.093 -3.264
158 HA CYS 20 HA CYS 20 -9.942 -0.224 -1.353
159 HB2 CYS 20 HB2 CYS 20 -9.729 0.934 -3.587
160 HB3 CYS 20 HB1 CYS 20 -10.861 -0.254 -4.227
161 H ASN 21 HN ASN 21 -11.560 -1.092 -0.286
162 HA ASN 21 HA ASN 21 -12.748 -3.555 -1.370
163 HB2 ASN 21 HB2 ASN 21 -11.473 -3.872 0.716
164 HB3 ASN 21 HB1 ASN 21 -12.485 -2.674 1.514
165 HD21 ASN 21 HD21 ASN 21 -13.059 -4.243 3.049
166 HD22 ASN 21 HD22 ASN 21 -14.212 -5.478 2.690
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