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 |
|
|
575929 |
2m7t   |
19205 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 0.155 0.782 -0.798
2 H2 GLY 1 H2 GLY 1 1.315 0.390 0.256
3 H3 GLY 1 H3 GLY 1 1.377 1.836 -0.528
4 HA2 GLY 1 HA2 GLY 1 1.563 -0.748 -1.844
5 HA3 GLY 1 HA3 GLY 1 1.641 0.879 -2.598
6 H CYS 2 H CYS 2 3.854 -0.467 -3.199
7 HA CYS 2 HA CYS 2 5.916 -0.390 -1.223
8 HB2 CYS 2 HB2 CYS 2 7.383 -0.663 -3.280
9 HB3 CYS 2 HB3 CYS 2 6.124 -1.861 -3.070
10 HA PRO 3 HA PRO 3 7.127 3.784 -1.285
11 HB2 PRO 3 HB2 PRO 3 9.753 3.784 -0.682
12 HB3 PRO 3 HB3 PRO 3 8.510 3.174 0.458
13 HG2 PRO 3 HG2 PRO 3 10.204 1.629 -1.564
14 HG3 PRO 3 HG3 PRO 3 10.048 1.380 0.235
15 HD2 PRO 3 HD2 PRO 3 8.578 -0.047 -1.579
16 HD3 PRO 3 HD3 PRO 3 7.874 0.520 -0.016
17 H GLN 4 H GLN 4 6.679 3.512 -3.749
18 HA GLN 4 HA GLN 4 9.002 4.718 -5.202
19 HB2 GLN 4 HB2 GLN 4 6.756 2.910 -5.978
20 HB3 GLN 4 HB3 GLN 4 7.627 3.829 -7.233
21 HG2 GLN 4 HG2 GLN 4 9.108 1.930 -5.298
22 HG3 GLN 4 HG3 GLN 4 8.463 1.361 -6.846
23 HE21 GLN 4 HE21 GLN 4 11.107 1.211 -6.157
24 HE22 GLN 4 HE22 GLN 4 11.966 2.229 -7.256
25 H GLY 5 H GLY 5 6.423 5.542 -3.449
26 HA2 GLY 5 HA2 GLY 5 6.050 7.950 -5.128
27 HA3 GLY 5 HA3 GLY 5 4.582 6.958 -4.957
28 H ARG 6 H ARG 6 7.256 8.060 -2.865
29 HA ARG 6 HA ARG 6 5.202 9.142 -0.993
30 HB2 ARG 6 HB2 ARG 6 7.951 8.141 -0.264
31 HB3 ARG 6 HB3 ARG 6 6.770 8.825 0.825
32 HG2 ARG 6 HG2 ARG 6 6.407 6.205 -0.758
33 HG3 ARG 6 HG3 ARG 6 6.947 6.380 0.938
34 HD2 ARG 6 HD2 ARG 6 4.690 7.558 1.309
35 HD3 ARG 6 HD3 ARG 6 4.230 7.110 -0.348
36 HE ARG 6 HE ARG 6 5.051 4.722 0.811
37 HH11 ARG 6 HH11 ARG 6 2.455 6.958 1.415
38 HH12 ARG 6 HH12 ARG 6 1.457 5.794 2.107
39 HH21 ARG 6 HH21 ARG 6 3.712 3.206 1.660
40 HH22 ARG 6 HH22 ARG 6 2.118 3.612 2.201
41 H GLY 7 H GLY 7 6.346 10.928 0.408
42 HA2 GLY 7 HA2 GLY 7 6.796 13.046 -1.303
43 HA3 GLY 7 HA3 GLY 7 7.334 13.033 0.411
44 H ASP 8 H ASP 8 9.469 11.388 0.466
45 HA ASP 8 HA ASP 8 11.317 12.714 -1.442
46 HB2 ASP 8 HB2 ASP 8 11.436 12.667 1.131
47 HB3 ASP 8 HB3 ASP 8 12.221 11.090 0.945
48 H TRP 9 H TRP 9 9.566 10.076 -1.744
49 HA TRP 9 HA TRP 9 11.791 8.439 -2.894
50 HB2 TRP 9 HB2 TRP 9 9.132 7.480 -1.747
51 HB3 TRP 9 HB3 TRP 9 10.157 6.558 -2.832
52 HD1 TRP 9 HD1 TRP 9 11.899 5.027 -1.772
53 HE1 TRP 9 HE1 TRP 9 12.992 4.810 0.539
54 HE3 TRP 9 HE3 TRP 9 9.783 9.107 0.465
55 HZ2 TRP 9 HZ2 TRP 9 12.943 6.233 3.024
56 HZ3 TRP 9 HZ3 TRP 9 10.266 9.641 2.808
57 HH2 TRP 9 HH2 TRP 9 11.918 8.227 4.108
58 H ALA 10 H ALA 10 11.708 9.819 -4.566
59 HA ALA 10 HA ALA 10 9.345 10.251 -6.232
60 HB1 ALA 10 HB1 ALA 10 11.286 11.784 -6.374
61 HB2 ALA 10 HB2 ALA 10 12.368 10.441 -6.817
62 HB3 ALA 10 HB3 ALA 10 11.085 10.986 -7.917
63 HA PRO 11 HA PRO 11 9.362 6.248 -7.883
64 HB2 PRO 11 HB2 PRO 11 8.304 6.523 -10.346
65 HB3 PRO 11 HB3 PRO 11 7.360 6.753 -8.877
66 HG2 PRO 11 HG2 PRO 11 8.430 8.872 -10.645
67 HG3 PRO 11 HG3 PRO 11 6.878 8.777 -9.798
68 HD2 PRO 11 HD2 PRO 11 8.929 10.232 -8.849
69 HD3 PRO 11 HD3 PRO 11 7.682 9.436 -7.787
70 H THR 12 H THR 12 10.064 4.751 -9.605
71 HA THR 12 HA THR 12 12.686 5.720 -10.700
72 HB THR 12 HB THR 12 11.586 2.919 -10.421
73 HG1 THR 12 HG1 THR 12 12.025 4.353 -8.464
74 HG21 THR 12 HG21 THR 12 13.383 2.830 -12.019
75 HG22 THR 12 HG22 THR 12 14.079 2.335 -10.453
76 HG23 THR 12 HG23 THR 12 14.354 3.973 -11.041
77 H SER 13 H SER 13 12.924 5.995 -12.935
78 HA SER 13 HA SER 13 10.675 5.710 -14.706
79 HB2 SER 13 HB2 SER 13 12.524 6.113 -16.455
80 HB3 SER 13 HB3 SER 13 12.481 7.336 -15.220
81 HG SER 13 HG SER 13 14.160 5.072 -15.103
82 H CYS 14 H CYS 14 10.077 3.982 -15.861
83 HA CYS 14 HA CYS 14 11.943 1.630 -16.080
84 HB2 CYS 14 HB2 CYS 14 9.901 0.206 -15.521
85 HB3 CYS 14 HB3 CYS 14 10.482 1.241 -14.159
86 H SER 15 H SER 15 11.087 0.006 -17.567
87 HA SER 15 HA SER 15 9.190 1.020 -19.694
88 HB2 SER 15 HB2 SER 15 11.701 -0.786 -20.129
89 HB3 SER 15 HB3 SER 15 10.614 -0.109 -21.349
90 HG SER 15 HG SER 15 11.411 2.012 -20.312
91 H GLN 16 H GLN 16 10.076 -1.341 -17.348
92 HA GLN 16 HA GLN 16 7.703 -2.972 -18.104
93 HB2 GLN 16 HB2 GLN 16 8.876 -5.046 -18.084
94 HB3 GLN 16 HB3 GLN 16 9.580 -4.021 -19.344
95 HG2 GLN 16 HG2 GLN 16 11.482 -3.521 -17.855
96 HG3 GLN 16 HG3 GLN 16 10.740 -4.589 -16.633
97 HE21 GLN 16 HE21 GLN 16 13.251 -4.550 -18.582
98 HE22 GLN 16 HE22 GLN 16 13.324 -6.221 -19.159
99 H ASP 17 H ASP 17 7.161 -4.483 -16.422
100 HA ASP 17 HA ASP 17 7.309 -3.404 -13.813
101 HB2 ASP 17 HB2 ASP 17 6.711 -6.278 -14.643
102 HB3 ASP 17 HB3 ASP 17 6.444 -5.581 -13.027
103 H SER 18 H SER 18 9.509 -5.673 -15.443
104 HA SER 18 HA SER 18 10.685 -6.692 -12.958
105 HB2 SER 18 HB2 SER 18 11.148 -7.872 -15.053
106 HB3 SER 18 HB3 SER 18 11.867 -6.426 -15.792
107 HG SER 18 HG SER 18 13.330 -8.151 -14.868
108 H ASP 19 H ASP 19 11.014 -3.553 -14.591
109 HA ASP 19 HA ASP 19 13.562 -2.898 -13.385
110 HB2 ASP 19 HB2 ASP 19 11.376 -1.062 -14.353
111 HB3 ASP 19 HB3 ASP 19 13.062 -0.622 -14.004
112 H CYS 20 H CYS 20 10.468 -3.406 -12.005
113 HA CYS 20 HA CYS 20 10.935 -1.223 -10.019
114 HB2 CYS 20 HB2 CYS 20 8.355 -2.724 -10.579
115 HB3 CYS 20 HB3 CYS 20 8.553 -1.304 -9.573
116 H LEU 21 H LEU 21 9.844 -1.695 -7.784
117 HA LEU 21 HA LEU 21 11.193 -3.999 -6.672
118 HB2 LEU 21 HB2 LEU 21 9.217 -2.036 -5.617
119 HB3 LEU 21 HB3 LEU 21 9.953 -3.259 -4.602
120 HG LEU 21 HG LEU 21 11.478 -1.107 -6.122
121 HD11 LEU 21 HD11 LEU 21 11.579 0.167 -4.030
122 HD12 LEU 21 HD12 LEU 21 10.607 -1.055 -3.158
123 HD13 LEU 21 HD13 LEU 21 9.886 -0.116 -4.447
124 HD21 LEU 21 HD21 LEU 21 13.296 -1.552 -4.467
125 HD22 LEU 21 HD22 LEU 21 12.927 -2.981 -5.409
126 HD23 LEU 21 HD23 LEU 21 12.328 -2.846 -3.761
127 H ALA 22 H ALA 22 9.949 -5.531 -5.219
128 HA ALA 22 HA ALA 22 8.141 -6.972 -6.825
129 HB1 ALA 22 HB1 ALA 22 9.454 -8.040 -5.108
130 HB2 ALA 22 HB2 ALA 22 8.661 -7.111 -3.810
131 HB3 ALA 22 HB3 ALA 22 7.744 -8.326 -4.752
132 H GLY 23 H GLY 23 5.965 -6.833 -7.217
133 HA2 GLY 23 HA2 GLY 23 3.756 -6.654 -6.603
134 HA3 GLY 23 HA3 GLY 23 4.124 -5.887 -5.096
135 H CYS 24 H CYS 24 6.079 -4.349 -7.302
136 HA CYS 24 HA CYS 24 4.009 -2.179 -7.764
137 HB2 CYS 24 HB2 CYS 24 7.015 -2.097 -8.272
138 HB3 CYS 24 HB3 CYS 24 5.957 -0.729 -7.913
139 H VAL 25 H VAL 25 4.048 -1.226 -9.876
140 HA VAL 25 HA VAL 25 4.956 -3.119 -12.072
141 HB VAL 25 HB VAL 25 2.788 -2.440 -13.301
142 HG11 VAL 25 HG11 VAL 25 2.548 -3.974 -10.696
143 HG12 VAL 25 HG12 VAL 25 1.321 -3.983 -11.998
144 HG13 VAL 25 HG13 VAL 25 2.967 -4.600 -12.322
145 HG21 VAL 25 HG21 VAL 25 1.887 -1.380 -10.461
146 HG22 VAL 25 HG22 VAL 25 2.251 -0.357 -11.829
147 HG23 VAL 25 HG23 VAL 25 0.905 -1.441 -11.949
148 H CYS 26 H CYS 26 5.015 -1.976 -14.208
149 HA CYS 26 HA CYS 26 6.057 0.763 -13.843
150 HB2 CYS 26 HB2 CYS 26 7.136 -0.981 -15.339
151 HB3 CYS 26 HB3 CYS 26 5.800 -0.812 -16.450
152 H GLY 27 H GLY 27 4.582 2.372 -13.859
153 HA2 GLY 27 HA2 GLY 27 1.865 1.865 -14.621
154 HA3 GLY 27 HA3 GLY 27 2.512 3.345 -13.889
155 HA PRO 28 HA PRO 28 1.692 3.872 -18.512
156 HB2 PRO 28 HB2 PRO 28 -0.232 5.700 -18.508
157 HB3 PRO 28 HB3 PRO 28 -0.609 3.915 -18.325
158 HG2 PRO 28 HG2 PRO 28 -0.432 6.038 -16.195
159 HG3 PRO 28 HG3 PRO 28 -1.704 4.752 -16.434
160 HD2 PRO 28 HD2 PRO 28 0.449 4.569 -14.709
161 HD3 PRO 28 HD3 PRO 28 -0.341 3.152 -15.526
162 H ASN 29 H ASN 29 2.339 5.771 -15.859
163 HA ASN 29 HA ASN 29 3.140 8.261 -17.158
164 HB2 ASN 29 HB2 ASN 29 3.896 8.839 -14.894
165 HB3 ASN 29 HB3 ASN 29 2.267 8.295 -14.860
166 HD21 ASN 29 HD21 ASN 29 3.236 8.159 -12.515
167 HD22 ASN 29 HD22 ASN 29 3.737 6.570 -12.017
168 H GLY 30 H GLY 30 4.450 5.127 -16.854
169 HA2 GLY 30 HA2 GLY 30 6.451 4.377 -17.802
170 HA3 GLY 30 HA3 GLY 30 6.892 6.084 -18.065
171 H PHE 31 H PHE 31 5.788 5.057 -15.037
172 HA PHE 31 HA PHE 31 8.555 5.078 -13.840
173 HB2 PHE 31 HB2 PHE 31 6.115 6.696 -13.127
174 HB3 PHE 31 HB3 PHE 31 7.139 6.218 -11.930
175 HD1 PHE 31 HD1 PHE 31 9.774 6.728 -12.393
176 HD2 PHE 31 HD2 PHE 31 6.433 8.752 -14.205
177 HE1 PHE 31 HE1 PHE 31 11.197 8.759 -12.838
178 HE2 PHE 31 HE2 PHE 31 7.853 10.770 -14.550
179 HZ PHE 31 HZ PHE 31 10.267 10.725 -13.903
180 H CYS 32 H CYS 32 8.732 3.807 -11.975
181 HA CYS 32 HA CYS 32 6.924 1.595 -11.711
182 HB2 CYS 32 HB2 CYS 32 8.999 2.678 -9.841
183 HB3 CYS 32 HB3 CYS 32 8.180 1.144 -9.600
184 H GLY 33 H GLY 33 5.424 1.066 -10.087
185 HA2 GLY 33 HA2 GLY 33 4.851 2.744 -7.808
186 HA3 GLY 33 HA3 GLY 33 3.762 3.227 -9.091
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 0.709 -1.049 -1.215
2 H2 GLY 1 H2 GLY 1 -0.197 -0.967 -2.534
3 H3 GLY 1 H3 GLY 1 1.040 -2.076 -2.454
4 HA2 GLY 1 HA2 GLY 1 1.565 -0.271 -3.870
5 HA3 GLY 1 HA3 GLY 1 1.363 0.836 -2.458
6 H CYS 2 H CYS 2 3.814 1.093 -3.441
7 HA CYS 2 HA CYS 2 5.546 -0.276 -1.409
8 HB2 CYS 2 HB2 CYS 2 7.236 -0.443 -3.404
9 HB3 CYS 2 HB3 CYS 2 6.042 -1.713 -3.138
10 HA PRO 3 HA PRO 3 7.043 3.827 -1.353
11 HB2 PRO 3 HB2 PRO 3 9.629 3.753 -0.637
12 HB3 PRO 3 HB3 PRO 3 8.336 3.181 0.448
13 HG2 PRO 3 HG2 PRO 3 10.092 1.647 -1.488
14 HG3 PRO 3 HG3 PRO 3 9.810 1.395 0.268
15 HD2 PRO 3 HD2 PRO 3 8.475 -0.007 -1.660
16 HD3 PRO 3 HD3 PRO 3 7.692 0.494 -0.086
17 H GLN 4 H GLN 4 6.647 3.657 -3.817
18 HA GLN 4 HA GLN 4 9.038 4.781 -5.187
19 HB2 GLN 4 HB2 GLN 4 6.756 3.080 -6.120
20 HB3 GLN 4 HB3 GLN 4 7.708 4.039 -7.271
21 HG2 GLN 4 HG2 GLN 4 9.132 2.047 -5.430
22 HG3 GLN 4 HG3 GLN 4 8.429 1.496 -6.932
23 HE21 GLN 4 HE21 GLN 4 11.118 1.324 -6.224
24 HE22 GLN 4 HE22 GLN 4 11.944 2.289 -7.420
25 H GLY 5 H GLY 5 6.317 5.516 -3.535
26 HA2 GLY 5 HA2 GLY 5 6.080 8.050 -5.060
27 HA3 GLY 5 HA3 GLY 5 4.594 7.069 -4.955
28 H ARG 6 H ARG 6 7.227 8.184 -2.849
29 HA ARG 6 HA ARG 6 5.174 9.006 -0.856
30 HB2 ARG 6 HB2 ARG 6 7.929 8.157 -0.022
31 HB3 ARG 6 HB3 ARG 6 6.500 8.403 0.968
32 HG2 ARG 6 HG2 ARG 6 6.960 6.092 -1.084
33 HG3 ARG 6 HG3 ARG 6 7.034 6.007 0.717
34 HD2 ARG 6 HD2 ARG 6 4.541 6.714 -0.922
35 HD3 ARG 6 HD3 ARG 6 4.887 5.128 -0.221
36 HE ARG 6 HE ARG 6 4.918 6.351 2.010
37 HH11 ARG 6 HH11 ARG 6 2.774 7.215 -0.615
38 HH12 ARG 6 HH12 ARG 6 1.586 7.845 0.463
39 HH21 ARG 6 HH21 ARG 6 3.370 7.165 3.346
40 HH22 ARG 6 HH22 ARG 6 1.872 7.768 2.716
41 H GLY 7 H GLY 7 6.766 10.557 0.804
42 HA2 GLY 7 HA2 GLY 7 6.977 12.859 -0.789
43 HA3 GLY 7 HA3 GLY 7 7.650 12.712 0.892
44 H ASP 8 H ASP 8 9.841 11.363 0.831
45 HA ASP 8 HA ASP 8 11.527 12.627 -1.216
46 HB2 ASP 8 HB2 ASP 8 12.126 11.013 1.239
47 HB3 ASP 8 HB3 ASP 8 13.402 11.511 0.168
48 H TRP 9 H TRP 9 9.689 9.953 -1.423
49 HA TRP 9 HA TRP 9 11.767 8.312 -2.809
50 HB2 TRP 9 HB2 TRP 9 9.064 7.485 -1.687
51 HB3 TRP 9 HB3 TRP 9 9.978 6.559 -2.891
52 HD1 TRP 9 HD1 TRP 9 11.675 4.871 -1.994
53 HE1 TRP 9 HE1 TRP 9 12.846 4.434 0.257
54 HE3 TRP 9 HE3 TRP 9 9.940 8.932 0.576
55 HZ2 TRP 9 HZ2 TRP 9 12.998 5.691 2.780
56 HZ3 TRP 9 HZ3 TRP 9 10.589 9.280 2.909
57 HH2 TRP 9 HH2 TRP 9 12.202 7.684 4.015
58 H ALA 10 H ALA 10 11.788 9.793 -4.441
59 HA ALA 10 HA ALA 10 9.512 10.361 -6.108
60 HB1 ALA 10 HB1 ALA 10 12.449 10.319 -6.963
61 HB2 ALA 10 HB2 ALA 10 11.124 11.287 -7.657
62 HB3 ALA 10 HB3 ALA 10 11.753 11.673 -6.022
63 HA PRO 11 HA PRO 11 9.470 6.348 -7.859
64 HB2 PRO 11 HB2 PRO 11 8.470 6.676 -10.316
65 HB3 PRO 11 HB3 PRO 11 7.498 6.890 -8.846
66 HG2 PRO 11 HG2 PRO 11 8.645 9.020 -10.598
67 HG3 PRO 11 HG3 PRO 11 7.060 8.939 -9.783
68 HD2 PRO 11 HD2 PRO 11 9.110 10.377 -8.681
69 HD3 PRO 11 HD3 PRO 11 7.853 9.555 -7.707
70 H THR 12 H THR 12 10.197 4.896 -9.536
71 HA THR 12 HA THR 12 12.791 5.890 -10.716
72 HB THR 12 HB THR 12 11.805 3.035 -10.397
73 HG1 THR 12 HG1 THR 12 12.110 4.511 -8.459
74 HG21 THR 12 HG21 THR 12 14.302 2.530 -10.413
75 HG22 THR 12 HG22 THR 12 14.578 4.213 -10.833
76 HG23 THR 12 HG23 THR 12 13.682 3.169 -11.995
77 H SER 13 H SER 13 12.899 6.128 -12.986
78 HA SER 13 HA SER 13 10.536 5.667 -14.582
79 HB2 SER 13 HB2 SER 13 12.026 6.298 -16.466
80 HB3 SER 13 HB3 SER 13 12.286 7.426 -15.148
81 HG SER 13 HG SER 13 14.119 5.938 -14.569
82 H CYS 14 H CYS 14 10.069 4.003 -15.951
83 HA CYS 14 HA CYS 14 11.955 1.670 -16.082
84 HB2 CYS 14 HB2 CYS 14 9.965 0.215 -15.357
85 HB3 CYS 14 HB3 CYS 14 10.526 1.347 -14.076
86 H SER 15 H SER 15 11.127 0.035 -17.523
87 HA SER 15 HA SER 15 9.161 0.985 -19.620
88 HB2 SER 15 HB2 SER 15 11.741 -0.645 -20.107
89 HB3 SER 15 HB3 SER 15 10.610 -0.060 -21.336
90 HG SER 15 HG SER 15 12.449 1.285 -21.147
91 H GLN 16 H GLN 16 9.984 -1.297 -17.270
92 HA GLN 16 HA GLN 16 7.822 -3.113 -18.210
93 HB2 GLN 16 HB2 GLN 16 9.166 -5.123 -18.118
94 HB3 GLN 16 HB3 GLN 16 9.887 -3.984 -19.319
95 HG2 GLN 16 HG2 GLN 16 11.500 -3.307 -17.531
96 HG3 GLN 16 HG3 GLN 16 10.831 -4.606 -16.555
97 HE21 GLN 16 HE21 GLN 16 13.573 -4.186 -17.560
98 HE22 GLN 16 HE22 GLN 16 13.990 -5.645 -18.475
99 H ASP 17 H ASP 17 7.192 -4.573 -16.462
100 HA ASP 17 HA ASP 17 7.282 -3.421 -13.847
101 HB2 ASP 17 HB2 ASP 17 6.620 -6.301 -14.730
102 HB3 ASP 17 HB3 ASP 17 6.348 -5.619 -13.103
103 H SER 18 H SER 18 9.417 -5.719 -15.497
104 HA SER 18 HA SER 18 10.529 -6.852 -13.044
105 HB2 SER 18 HB2 SER 18 10.874 -7.935 -15.225
106 HB3 SER 18 HB3 SER 18 11.769 -6.545 -15.839
107 HG SER 18 HG SER 18 12.908 -8.579 -14.853
108 H ASP 19 H ASP 19 10.937 -3.659 -14.507
109 HA ASP 19 HA ASP 19 13.599 -3.147 -13.393
110 HB2 ASP 19 HB2 ASP 19 11.381 -1.228 -14.270
111 HB3 ASP 19 HB3 ASP 19 13.086 -0.794 -13.865
112 H CYS 20 H CYS 20 10.323 -3.289 -12.121
113 HA CYS 20 HA CYS 20 10.963 -1.246 -10.115
114 HB2 CYS 20 HB2 CYS 20 8.385 -2.728 -10.602
115 HB3 CYS 20 HB3 CYS 20 8.563 -1.285 -9.587
116 H LEU 21 H LEU 21 9.844 -1.627 -7.845
117 HA LEU 21 HA LEU 21 11.208 -3.861 -6.649
118 HB2 LEU 21 HB2 LEU 21 9.260 -1.852 -5.664
119 HB3 LEU 21 HB3 LEU 21 9.962 -3.070 -4.601
120 HG LEU 21 HG LEU 21 11.574 -0.993 -6.161
121 HD11 LEU 21 HD11 LEU 21 10.449 -0.858 -3.308
122 HD12 LEU 21 HD12 LEU 21 10.055 0.216 -4.662
123 HD13 LEU 21 HD13 LEU 21 11.702 0.261 -3.938
124 HD21 LEU 21 HD21 LEU 21 12.281 -2.876 -3.911
125 HD22 LEU 21 HD22 LEU 21 13.269 -1.462 -4.276
126 HD23 LEU 21 HD23 LEU 21 13.057 -2.738 -5.514
127 H ALA 22 H ALA 22 9.911 -5.344 -5.132
128 HA ALA 22 HA ALA 22 8.104 -6.816 -6.748
129 HB1 ALA 22 HB1 ALA 22 9.546 -7.950 -5.213
130 HB2 ALA 22 HB2 ALA 22 8.899 -7.032 -3.809
131 HB3 ALA 22 HB3 ALA 22 7.891 -8.215 -4.669
132 H GLY 23 H GLY 23 5.898 -6.738 -6.949
133 HA2 GLY 23 HA2 GLY 23 3.752 -6.512 -6.192
134 HA3 GLY 23 HA3 GLY 23 4.268 -5.700 -4.726
135 H CYS 24 H CYS 24 5.939 -4.465 -7.350
136 HA CYS 24 HA CYS 24 3.975 -2.171 -7.689
137 HB2 CYS 24 HB2 CYS 24 6.927 -2.139 -8.359
138 HB3 CYS 24 HB3 CYS 24 5.867 -0.760 -8.087
139 H VAL 25 H VAL 25 4.115 -1.275 -9.897
140 HA VAL 25 HA VAL 25 4.979 -3.224 -12.051
141 HB VAL 25 HB VAL 25 2.875 -2.536 -13.350
142 HG11 VAL 25 HG11 VAL 25 3.083 -4.694 -12.226
143 HG12 VAL 25 HG12 VAL 25 2.312 -4.002 -10.763
144 HG13 VAL 25 HG13 VAL 25 1.416 -4.117 -12.327
145 HG21 VAL 25 HG21 VAL 25 1.909 -1.480 -10.544
146 HG22 VAL 25 HG22 VAL 25 2.288 -0.442 -11.940
147 HG23 VAL 25 HG23 VAL 25 0.900 -1.527 -12.025
148 H CYS 26 H CYS 26 4.952 -2.032 -14.228
149 HA CYS 26 HA CYS 26 6.089 0.700 -13.786
150 HB2 CYS 26 HB2 CYS 26 7.198 -1.046 -15.287
151 HB3 CYS 26 HB3 CYS 26 5.878 -0.892 -16.409
152 H GLY 27 H GLY 27 4.703 2.414 -14.014
153 HA2 GLY 27 HA2 GLY 27 1.936 1.825 -14.677
154 HA3 GLY 27 HA3 GLY 27 2.584 3.291 -13.912
155 HA PRO 28 HA PRO 28 1.696 4.002 -18.499
156 HB2 PRO 28 HB2 PRO 28 -0.323 5.750 -18.392
157 HB3 PRO 28 HB3 PRO 28 -0.615 3.922 -18.268
158 HG2 PRO 28 HG2 PRO 28 -0.511 5.965 -16.093
159 HG3 PRO 28 HG3 PRO 28 -1.705 4.658 -16.368
160 HD2 PRO 28 HD2 PRO 28 0.460 4.519 -14.654
161 HD3 PRO 28 HD3 PRO 28 -0.262 3.087 -15.513
162 H ASN 29 H ASN 29 2.289 5.859 -15.786
163 HA ASN 29 HA ASN 29 2.988 8.417 -17.035
164 HB2 ASN 29 HB2 ASN 29 3.813 8.885 -14.717
165 HB3 ASN 29 HB3 ASN 29 2.205 8.355 -14.676
166 HD21 ASN 29 HD21 ASN 29 3.141 8.107 -12.380
167 HD22 ASN 29 HD22 ASN 29 3.691 6.514 -11.952
168 H GLY 30 H GLY 30 4.393 5.278 -16.753
169 HA2 GLY 30 HA2 GLY 30 6.348 4.601 -17.857
170 HA3 GLY 30 HA3 GLY 30 6.824 6.331 -17.998
171 H PHE 31 H PHE 31 5.742 5.292 -14.977
172 HA PHE 31 HA PHE 31 8.521 5.132 -13.861
173 HB2 PHE 31 HB2 PHE 31 6.106 6.742 -12.939
174 HB3 PHE 31 HB3 PHE 31 7.249 6.228 -11.860
175 HD1 PHE 31 HD1 PHE 31 9.818 6.776 -12.429
176 HD2 PHE 31 HD2 PHE 31 6.428 8.777 -14.107
177 HE1 PHE 31 HE1 PHE 31 11.220 8.812 -12.908
178 HE2 PHE 31 HE2 PHE 31 7.783 10.793 -14.485
179 HZ PHE 31 HZ PHE 31 10.208 10.797 -13.923
180 H CYS 32 H CYS 32 8.742 3.793 -12.053
181 HA CYS 32 HA CYS 32 6.919 1.602 -11.763
182 HB2 CYS 32 HB2 CYS 32 8.978 2.750 -9.917
183 HB3 CYS 32 HB3 CYS 32 8.153 1.208 -9.630
184 H GLY 33 H GLY 33 5.422 1.079 -10.134
185 HA2 GLY 33 HA2 GLY 33 4.827 2.739 -7.862
186 HA3 GLY 33 HA3 GLY 33 3.753 3.224 -9.170
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 1.799 -0.613 0.290
2 H2 GLY 1 H2 GLY 1 1.753 0.952 -0.105
3 H3 GLY 1 H3 GLY 1 0.563 -0.065 -0.649
4 HA2 GLY 1 HA2 GLY 1 2.161 -1.197 -2.008
5 HA3 GLY 1 HA3 GLY 1 2.105 0.591 -2.346
6 H CYS 2 H CYS 2 4.433 -0.428 -3.217
7 HA CYS 2 HA CYS 2 6.456 -0.421 -1.123
8 HB2 CYS 2 HB2 CYS 2 7.980 -0.494 -3.174
9 HB3 CYS 2 HB3 CYS 2 6.763 -1.763 -3.030
10 HA PRO 3 HA PRO 3 7.408 3.814 -1.079
11 HB2 PRO 3 HB2 PRO 3 10.059 3.999 -0.582
12 HB3 PRO 3 HB3 PRO 3 8.914 3.282 0.596
13 HG2 PRO 3 HG2 PRO 3 10.634 1.871 -1.487
14 HG3 PRO 3 HG3 PRO 3 10.523 1.596 0.293
15 HD2 PRO 3 HD2 PRO 3 9.147 0.096 -1.539
16 HD3 PRO 3 HD3 PRO 3 8.457 0.561 0.092
17 H GLN 4 H GLN 4 6.899 3.494 -3.578
18 HA GLN 4 HA GLN 4 9.085 4.895 -5.077
19 HB2 GLN 4 HB2 GLN 4 6.873 3.059 -5.977
20 HB3 GLN 4 HB3 GLN 4 7.789 4.041 -7.139
21 HG2 GLN 4 HG2 GLN 4 9.297 2.087 -5.247
22 HG3 GLN 4 HG3 GLN 4 8.559 1.471 -6.765
23 HE21 GLN 4 HE21 GLN 4 11.160 1.140 -6.335
24 HE22 GLN 4 HE22 GLN 4 12.010 2.110 -7.463
25 H GLY 5 H GLY 5 6.252 5.215 -3.369
26 HA2 GLY 5 HA2 GLY 5 5.591 7.658 -4.964
27 HA3 GLY 5 HA3 GLY 5 4.279 6.531 -4.528
28 H ARG 6 H ARG 6 7.080 7.991 -2.848
29 HA ARG 6 HA ARG 6 5.159 8.944 -0.755
30 HB2 ARG 6 HB2 ARG 6 8.050 8.248 -0.292
31 HB3 ARG 6 HB3 ARG 6 6.851 8.671 0.915
32 HG2 ARG 6 HG2 ARG 6 6.939 6.081 -0.731
33 HG3 ARG 6 HG3 ARG 6 7.372 6.318 0.994
34 HD2 ARG 6 HD2 ARG 6 4.921 7.077 1.298
35 HD3 ARG 6 HD3 ARG 6 4.638 6.514 -0.373
36 HE ARG 6 HE ARG 6 5.944 4.454 1.104
37 HH11 ARG 6 HH11 ARG 6 2.801 5.811 0.713
38 HH12 ARG 6 HH12 ARG 6 1.983 4.414 1.200
39 HH21 ARG 6 HH21 ARG 6 4.902 2.643 1.718
40 HH22 ARG 6 HH22 ARG 6 3.174 2.552 1.754
41 H GLY 7 H GLY 7 6.174 10.858 0.472
42 HA2 GLY 7 HA2 GLY 7 6.546 12.911 -1.355
43 HA3 GLY 7 HA3 GLY 7 6.936 13.019 0.403
44 H ASP 8 H ASP 8 9.172 11.352 0.613
45 HA ASP 8 HA ASP 8 11.152 12.775 -1.061
46 HB2 ASP 8 HB2 ASP 8 11.393 11.097 1.418
47 HB3 ASP 8 HB3 ASP 8 12.771 11.676 0.574
48 H TRP 9 H TRP 9 9.397 10.218 -1.856
49 HA TRP 9 HA TRP 9 11.713 8.724 -2.986
50 HB2 TRP 9 HB2 TRP 9 9.144 7.491 -1.872
51 HB3 TRP 9 HB3 TRP 9 10.217 6.732 -3.019
52 HD1 TRP 9 HD1 TRP 9 12.138 5.272 -2.077
53 HE1 TRP 9 HE1 TRP 9 13.313 5.012 0.205
54 HE3 TRP 9 HE3 TRP 9 9.823 9.106 0.445
55 HZ2 TRP 9 HZ2 TRP 9 13.275 6.293 2.703
56 HZ3 TRP 9 HZ3 TRP 9 10.396 9.514 2.802
57 HH2 TRP 9 HH2 TRP 9 12.176 8.152 3.940
58 H ALA 10 H ALA 10 11.574 10.076 -4.647
59 HA ALA 10 HA ALA 10 9.221 10.365 -6.311
60 HB1 ALA 10 HB1 ALA 10 12.176 10.593 -7.134
61 HB2 ALA 10 HB2 ALA 10 10.765 11.356 -7.916
62 HB3 ALA 10 HB3 ALA 10 11.301 11.910 -6.331
63 HA PRO 11 HA PRO 11 9.513 6.300 -7.854
64 HB2 PRO 11 HB2 PRO 11 8.321 6.392 -10.228
65 HB3 PRO 11 HB3 PRO 11 7.404 6.648 -8.740
66 HG2 PRO 11 HG2 PRO 11 8.338 8.742 -10.682
67 HG3 PRO 11 HG3 PRO 11 6.794 8.632 -9.796
68 HD2 PRO 11 HD2 PRO 11 8.816 10.231 -8.934
69 HD3 PRO 11 HD3 PRO 11 7.613 9.421 -7.822
70 H THR 12 H THR 12 10.247 4.821 -9.507
71 HA THR 12 HA THR 12 12.768 5.867 -10.720
72 HB THR 12 HB THR 12 11.728 3.011 -10.496
73 HG1 THR 12 HG1 THR 12 12.116 4.415 -8.509
74 HG21 THR 12 HG21 THR 12 14.550 4.093 -10.792
75 HG22 THR 12 HG22 THR 12 13.625 3.277 -12.079
76 HG23 THR 12 HG23 THR 12 14.103 2.373 -10.624
77 H SER 13 H SER 13 12.917 6.083 -13.037
78 HA SER 13 HA SER 13 10.555 5.677 -14.660
79 HB2 SER 13 HB2 SER 13 12.155 6.252 -16.535
80 HB3 SER 13 HB3 SER 13 12.159 7.454 -15.262
81 HG SER 13 HG SER 13 14.116 5.486 -15.825
82 H CYS 14 H CYS 14 10.073 3.952 -15.923
83 HA CYS 14 HA CYS 14 12.050 1.688 -16.049
84 HB2 CYS 14 HB2 CYS 14 10.019 0.207 -15.481
85 HB3 CYS 14 HB3 CYS 14 10.620 1.238 -14.154
86 H SER 15 H SER 15 11.270 0.001 -17.495
87 HA SER 15 HA SER 15 9.569 1.035 -19.749
88 HB2 SER 15 HB2 SER 15 11.775 -1.062 -20.053
89 HB3 SER 15 HB3 SER 15 10.993 -0.155 -21.334
90 HG SER 15 HG SER 15 12.687 0.939 -19.346
91 H GLN 16 H GLN 16 10.094 -1.325 -17.321
92 HA GLN 16 HA GLN 16 7.753 -2.953 -18.234
93 HB2 GLN 16 HB2 GLN 16 8.986 -5.034 -18.148
94 HB3 GLN 16 HB3 GLN 16 9.722 -3.989 -19.377
95 HG2 GLN 16 HG2 GLN 16 11.458 -3.398 -17.701
96 HG3 GLN 16 HG3 GLN 16 10.699 -4.517 -16.595
97 HE21 GLN 16 HE21 GLN 16 13.211 -5.035 -16.847
98 HE22 GLN 16 HE22 GLN 16 13.546 -6.383 -17.971
99 H ASP 17 H ASP 17 7.055 -4.362 -16.545
100 HA ASP 17 HA ASP 17 7.058 -3.278 -13.921
101 HB2 ASP 17 HB2 ASP 17 6.497 -6.149 -14.877
102 HB3 ASP 17 HB3 ASP 17 6.236 -5.561 -13.220
103 H SER 18 H SER 18 9.207 -5.698 -15.431
104 HA SER 18 HA SER 18 10.216 -6.700 -12.879
105 HB2 SER 18 HB2 SER 18 12.224 -6.902 -14.836
106 HB3 SER 18 HB3 SER 18 11.041 -8.123 -14.301
107 HG SER 18 HG SER 18 10.793 -7.796 -16.516
108 H ASP 19 H ASP 19 10.771 -3.630 -14.464
109 HA ASP 19 HA ASP 19 13.454 -3.207 -13.366
110 HB2 ASP 19 HB2 ASP 19 11.451 -1.169 -14.331
111 HB3 ASP 19 HB3 ASP 19 13.179 -0.889 -13.993
112 H CYS 20 H CYS 20 10.282 -3.395 -12.040
113 HA CYS 20 HA CYS 20 10.885 -1.246 -10.070
114 HB2 CYS 20 HB2 CYS 20 8.281 -2.679 -10.673
115 HB3 CYS 20 HB3 CYS 20 8.442 -1.295 -9.605
116 H LEU 21 H LEU 21 9.731 -1.713 -7.809
117 HA LEU 21 HA LEU 21 11.151 -3.949 -6.690
118 HB2 LEU 21 HB2 LEU 21 9.163 -1.965 -5.672
119 HB3 LEU 21 HB3 LEU 21 9.938 -3.142 -4.616
120 HG LEU 21 HG LEU 21 11.411 -1.067 -6.247
121 HD11 LEU 21 HD11 LEU 21 9.866 0.023 -4.528
122 HD12 LEU 21 HD12 LEU 21 11.587 0.303 -4.202
123 HD13 LEU 21 HD13 LEU 21 10.680 -0.949 -3.284
124 HD21 LEU 21 HD21 LEU 21 12.284 -2.994 -4.074
125 HD22 LEU 21 HD22 LEU 21 13.170 -1.473 -4.373
126 HD23 LEU 21 HD23 LEU 21 13.025 -2.691 -5.675
127 H ALA 22 H ALA 22 10.042 -5.469 -5.125
128 HA ALA 22 HA ALA 22 8.340 -7.126 -6.543
129 HB1 ALA 22 HB1 ALA 22 8.745 -6.965 -3.543
130 HB2 ALA 22 HB2 ALA 22 8.170 -8.372 -4.474
131 HB3 ALA 22 HB3 ALA 22 9.805 -7.797 -4.709
132 H GLY 23 H GLY 23 6.219 -6.998 -7.108
133 HA2 GLY 23 HA2 GLY 23 3.968 -6.985 -6.640
134 HA3 GLY 23 HA3 GLY 23 4.228 -6.264 -5.072
135 H CYS 24 H CYS 24 6.100 -4.561 -7.241
136 HA CYS 24 HA CYS 24 3.947 -2.492 -7.655
137 HB2 CYS 24 HB2 CYS 24 6.904 -2.097 -8.033
138 HB3 CYS 24 HB3 CYS 24 5.692 -0.895 -7.610
139 H VAL 25 H VAL 25 4.146 -1.384 -9.769
140 HA VAL 25 HA VAL 25 5.087 -3.268 -11.949
141 HB VAL 25 HB VAL 25 2.941 -2.610 -13.204
142 HG11 VAL 25 HG11 VAL 25 3.150 -4.773 -11.951
143 HG12 VAL 25 HG12 VAL 25 2.392 -3.969 -10.550
144 HG13 VAL 25 HG13 VAL 25 1.505 -4.168 -12.058
145 HG21 VAL 25 HG21 VAL 25 1.037 -1.536 -11.906
146 HG22 VAL 25 HG22 VAL 25 2.023 -1.433 -10.424
147 HG23 VAL 25 HG23 VAL 25 2.408 -0.448 -11.864
148 H CYS 26 H CYS 26 4.970 -2.016 -14.151
149 HA CYS 26 HA CYS 26 6.111 0.742 -13.713
150 HB2 CYS 26 HB2 CYS 26 7.294 -0.978 -15.158
151 HB3 CYS 26 HB3 CYS 26 5.971 -0.916 -16.302
152 H GLY 27 H GLY 27 4.575 2.333 -13.807
153 HA2 GLY 27 HA2 GLY 27 1.914 1.744 -14.706
154 HA3 GLY 27 HA3 GLY 27 2.468 3.212 -13.874
155 HA PRO 28 HA PRO 28 1.891 3.852 -18.546
156 HB2 PRO 28 HB2 PRO 28 -0.170 5.528 -18.603
157 HB3 PRO 28 HB3 PRO 28 -0.393 3.696 -18.536
158 HG2 PRO 28 HG2 PRO 28 -0.581 5.688 -16.283
159 HG3 PRO 28 HG3 PRO 28 -1.700 4.333 -16.684
160 HD2 PRO 28 HD2 PRO 28 0.310 4.223 -14.799
161 HD3 PRO 28 HD3 PRO 28 -0.233 2.780 -15.788
162 H ASN 29 H ASN 29 2.224 5.791 -15.803
163 HA ASN 29 HA ASN 29 2.820 8.375 -17.068
164 HB2 ASN 29 HB2 ASN 29 3.516 8.966 -14.792
165 HB3 ASN 29 HB3 ASN 29 1.993 8.212 -14.701
166 HD21 ASN 29 HD21 ASN 29 3.499 8.381 -12.467
167 HD22 ASN 29 HD22 ASN 29 4.127 6.819 -12.023
168 H GLY 30 H GLY 30 4.403 5.342 -16.737
169 HA2 GLY 30 HA2 GLY 30 6.358 4.800 -17.921
170 HA3 GLY 30 HA3 GLY 30 6.756 6.530 -17.983
171 H PHE 31 H PHE 31 5.719 5.204 -15.041
172 HA PHE 31 HA PHE 31 8.517 5.024 -13.985
173 HB2 PHE 31 HB2 PHE 31 6.217 6.703 -12.980
174 HB3 PHE 31 HB3 PHE 31 7.390 6.183 -11.946
175 HD1 PHE 31 HD1 PHE 31 9.831 6.871 -12.326
176 HD2 PHE 31 HD2 PHE 31 6.532 8.564 -14.490
177 HE1 PHE 31 HE1 PHE 31 11.221 8.869 -12.963
178 HE2 PHE 31 HE2 PHE 31 7.910 10.557 -15.043
179 HZ PHE 31 HZ PHE 31 10.299 10.677 -14.312
180 H CYS 32 H CYS 32 8.725 3.789 -12.091
181 HA CYS 32 HA CYS 32 6.933 1.576 -11.728
182 HB2 CYS 32 HB2 CYS 32 8.938 2.853 -9.921
183 HB3 CYS 32 HB3 CYS 32 8.155 1.329 -9.530
184 H GLY 33 H GLY 33 5.431 1.113 -10.198
185 HA2 GLY 33 HA2 GLY 33 4.646 2.705 -7.941
186 HA3 GLY 33 HA3 GLY 33 3.708 3.245 -9.314
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 0.715 0.240 -0.237
2 H2 GLY 1 H2 GLY 1 1.977 -0.395 0.563
3 H3 GLY 1 H3 GLY 1 1.879 1.238 0.324
4 HA2 GLY 1 HA2 GLY 1 2.082 -0.712 -1.828
5 HA3 GLY 1 HA3 GLY 1 2.029 1.064 -1.970
6 H CYS 2 H CYS 2 4.299 -0.461 -3.007
7 HA CYS 2 HA CYS 2 6.410 -0.449 -1.081
8 HB2 CYS 2 HB2 CYS 2 7.842 -0.774 -3.093
9 HB3 CYS 2 HB3 CYS 2 6.451 -1.856 -3.032
10 HA PRO 3 HA PRO 3 7.708 3.679 -1.152
11 HB2 PRO 3 HB2 PRO 3 10.391 3.664 -0.767
12 HB3 PRO 3 HB3 PRO 3 9.234 3.083 0.456
13 HG2 PRO 3 HG2 PRO 3 10.722 1.478 -1.666
14 HG3 PRO 3 HG3 PRO 3 10.681 1.262 0.141
15 HD2 PRO 3 HD2 PRO 3 9.116 -0.138 -1.588
16 HD3 PRO 3 HD3 PRO 3 8.516 0.391 0.034
17 H GLN 4 H GLN 4 7.082 3.336 -3.663
18 HA GLN 4 HA GLN 4 9.229 4.661 -5.238
19 HB2 GLN 4 HB2 GLN 4 7.051 2.723 -5.998
20 HB3 GLN 4 HB3 GLN 4 7.863 3.727 -7.213
21 HG2 GLN 4 HG2 GLN 4 9.406 1.774 -5.371
22 HG3 GLN 4 HG3 GLN 4 8.830 1.321 -6.970
23 HE21 GLN 4 HE21 GLN 4 11.286 0.859 -6.812
24 HE22 GLN 4 HE22 GLN 4 12.193 2.090 -7.603
25 H GLY 5 H GLY 5 7.149 5.461 -3.172
26 HA2 GLY 5 HA2 GLY 5 6.202 7.746 -4.656
27 HA3 GLY 5 HA3 GLY 5 4.866 6.600 -4.408
28 H ARG 6 H ARG 6 7.500 8.323 -2.801
29 HA ARG 6 HA ARG 6 5.747 8.793 -0.469
30 HB2 ARG 6 HB2 ARG 6 8.669 8.086 -0.273
31 HB3 ARG 6 HB3 ARG 6 7.595 8.435 1.083
32 HG2 ARG 6 HG2 ARG 6 7.193 6.032 -0.756
33 HG3 ARG 6 HG3 ARG 6 8.192 6.056 0.706
34 HD2 ARG 6 HD2 ARG 6 6.018 6.991 1.794
35 HD3 ARG 6 HD3 ARG 6 5.185 6.338 0.384
36 HE ARG 6 HE ARG 6 6.794 4.748 2.338
37 HH11 ARG 6 HH11 ARG 6 4.469 4.724 -0.220
38 HH12 ARG 6 HH12 ARG 6 4.185 3.051 -0.093
39 HH21 ARG 6 HH21 ARG 6 6.429 2.592 2.447
40 HH22 ARG 6 HH22 ARG 6 5.257 1.796 1.396
41 H GLY 7 H GLY 7 7.105 10.493 1.027
42 HA2 GLY 7 HA2 GLY 7 7.208 12.825 -0.504
43 HA3 GLY 7 HA3 GLY 7 7.948 12.634 1.148
44 H ASP 8 H ASP 8 10.123 11.115 0.792
45 HA ASP 8 HA ASP 8 11.710 12.675 -1.159
46 HB2 ASP 8 HB2 ASP 8 12.531 11.020 1.241
47 HB3 ASP 8 HB3 ASP 8 13.678 11.822 0.164
48 H TRP 9 H TRP 9 10.043 10.069 -1.634
49 HA TRP 9 HA TRP 9 12.230 8.602 -3.082
50 HB2 TRP 9 HB2 TRP 9 9.699 7.388 -1.866
51 HB3 TRP 9 HB3 TRP 9 10.740 6.617 -3.048
52 HD1 TRP 9 HD1 TRP 9 12.551 5.092 -2.156
53 HE1 TRP 9 HE1 TRP 9 13.783 4.779 0.075
54 HE3 TRP 9 HE3 TRP 9 10.484 8.995 0.395
55 HZ2 TRP 9 HZ2 TRP 9 13.857 6.098 2.613
56 HZ3 TRP 9 HZ3 TRP 9 11.136 9.455 2.706
57 HH2 TRP 9 HH2 TRP 9 12.876 8.036 3.825
58 H ALA 10 H ALA 10 11.991 9.901 -4.773
59 HA ALA 10 HA ALA 10 9.495 10.380 -6.196
60 HB1 ALA 10 HB1 ALA 10 11.489 11.885 -6.486
61 HB2 ALA 10 HB2 ALA 10 12.456 10.520 -7.094
62 HB3 ALA 10 HB3 ALA 10 11.096 11.131 -8.029
63 HA PRO 11 HA PRO 11 9.517 6.302 -7.819
64 HB2 PRO 11 HB2 PRO 11 8.203 6.480 -10.144
65 HB3 PRO 11 HB3 PRO 11 7.410 6.694 -8.597
66 HG2 PRO 11 HG2 PRO 11 8.261 8.810 -10.520
67 HG3 PRO 11 HG3 PRO 11 6.781 8.685 -9.585
68 HD2 PRO 11 HD2 PRO 11 8.824 10.236 -8.744
69 HD3 PRO 11 HD3 PRO 11 7.684 9.415 -7.595
70 H THR 12 H THR 12 10.283 4.827 -9.469
71 HA THR 12 HA THR 12 12.671 5.982 -10.805
72 HB THR 12 HB THR 12 11.822 3.066 -10.518
73 HG1 THR 12 HG1 THR 12 12.265 4.518 -8.534
74 HG21 THR 12 HG21 THR 12 14.593 4.281 -10.978
75 HG22 THR 12 HG22 THR 12 13.614 3.480 -12.247
76 HG23 THR 12 HG23 THR 12 14.206 2.566 -10.871
77 H SER 13 H SER 13 12.777 6.150 -13.112
78 HA SER 13 HA SER 13 10.392 5.652 -14.640
79 HB2 SER 13 HB2 SER 13 11.964 6.271 -16.553
80 HB3 SER 13 HB3 SER 13 11.876 7.508 -15.341
81 HG SER 13 HG SER 13 14.027 7.051 -15.981
82 H CYS 14 H CYS 14 9.959 3.947 -15.929
83 HA CYS 14 HA CYS 14 11.998 1.694 -16.046
84 HB2 CYS 14 HB2 CYS 14 10.035 0.184 -15.451
85 HB3 CYS 14 HB3 CYS 14 10.616 1.287 -14.150
86 H SER 15 H SER 15 11.215 -0.031 -17.482
87 HA SER 15 HA SER 15 9.428 0.886 -19.735
88 HB2 SER 15 HB2 SER 15 11.971 -0.807 -19.971
89 HB3 SER 15 HB3 SER 15 10.979 -0.201 -21.305
90 HG SER 15 HG SER 15 12.245 1.526 -19.442
91 H GLN 16 H GLN 16 10.242 -1.423 -17.332
92 HA GLN 16 HA GLN 16 8.024 -3.197 -18.213
93 HB2 GLN 16 HB2 GLN 16 9.302 -5.234 -18.092
94 HB3 GLN 16 HB3 GLN 16 10.063 -4.202 -19.299
95 HG2 GLN 16 HG2 GLN 16 11.747 -3.550 -17.599
96 HG3 GLN 16 HG3 GLN 16 11.006 -4.750 -16.523
97 HE21 GLN 16 HE21 GLN 16 13.228 -4.199 -19.044
98 HE22 GLN 16 HE22 GLN 16 13.653 -5.869 -19.398
99 H ASP 17 H ASP 17 7.305 -4.576 -16.490
100 HA ASP 17 HA ASP 17 7.272 -3.269 -13.963
101 HB2 ASP 17 HB2 ASP 17 6.707 -6.212 -14.634
102 HB3 ASP 17 HB3 ASP 17 6.294 -5.372 -13.097
103 H SER 18 H SER 18 9.381 -5.785 -15.323
104 HA SER 18 HA SER 18 10.333 -6.697 -12.726
105 HB2 SER 18 HB2 SER 18 10.766 -7.926 -14.899
106 HB3 SER 18 HB3 SER 18 11.913 -6.668 -15.339
107 HG SER 18 HG SER 18 12.938 -7.291 -13.200
108 H ASP 19 H ASP 19 11.060 -3.735 -14.509
109 HA ASP 19 HA ASP 19 13.614 -3.129 -13.264
110 HB2 ASP 19 HB2 ASP 19 11.374 -1.271 -14.150
111 HB3 ASP 19 HB3 ASP 19 13.030 -0.782 -13.747
112 H CYS 20 H CYS 20 10.253 -3.138 -12.174
113 HA CYS 20 HA CYS 20 10.875 -1.208 -10.025
114 HB2 CYS 20 HB2 CYS 20 8.343 -2.761 -10.583
115 HB3 CYS 20 HB3 CYS 20 8.487 -1.347 -9.561
116 H LEU 21 H LEU 21 9.710 -1.772 -7.799
117 HA LEU 21 HA LEU 21 11.072 -4.101 -6.784
118 HB2 LEU 21 HB2 LEU 21 9.207 -2.155 -5.570
119 HB3 LEU 21 HB3 LEU 21 10.044 -3.377 -4.661
120 HG LEU 21 HG LEU 21 11.387 -1.161 -6.193
121 HD11 LEU 21 HD11 LEU 21 11.750 -0.076 -4.029
122 HD12 LEU 21 HD12 LEU 21 10.848 -1.382 -3.202
123 HD13 LEU 21 HD13 LEU 21 10.028 -0.288 -4.283
124 HD21 LEU 21 HD21 LEU 21 12.870 -3.096 -5.806
125 HD22 LEU 21 HD22 LEU 21 12.476 -3.051 -4.066
126 HD23 LEU 21 HD23 LEU 21 13.351 -1.702 -4.831
127 H ALA 22 H ALA 22 9.873 -5.622 -5.343
128 HA ALA 22 HA ALA 22 7.844 -6.936 -6.847
129 HB1 ALA 22 HB1 ALA 22 9.294 -8.166 -5.402
130 HB2 ALA 22 HB2 ALA 22 8.766 -7.229 -3.977
131 HB3 ALA 22 HB3 ALA 22 7.643 -8.352 -4.796
132 H GLY 23 H GLY 23 5.683 -6.618 -7.010
133 HA2 GLY 23 HA2 GLY 23 3.567 -6.427 -6.022
134 HA3 GLY 23 HA3 GLY 23 4.224 -5.496 -4.668
135 H CYS 24 H CYS 24 5.878 -4.341 -7.247
136 HA CYS 24 HA CYS 24 3.910 -2.133 -7.709
137 HB2 CYS 24 HB2 CYS 24 6.855 -1.920 -8.179
138 HB3 CYS 24 HB3 CYS 24 5.736 -0.669 -7.667
139 H VAL 25 H VAL 25 4.018 -1.169 -9.872
140 HA VAL 25 HA VAL 25 4.987 -3.104 -12.001
141 HB VAL 25 HB VAL 25 2.863 -2.516 -13.297
142 HG11 VAL 25 HG11 VAL 25 1.415 -4.050 -12.162
143 HG12 VAL 25 HG12 VAL 25 3.084 -4.643 -12.066
144 HG13 VAL 25 HG13 VAL 25 2.353 -3.867 -10.653
145 HG21 VAL 25 HG21 VAL 25 0.913 -1.495 -12.044
146 HG22 VAL 25 HG22 VAL 25 1.857 -1.306 -10.546
147 HG23 VAL 25 HG23 VAL 25 2.236 -0.322 -11.997
148 H CYS 26 H CYS 26 5.042 -1.963 -14.227
149 HA CYS 26 HA CYS 26 6.143 0.772 -13.880
150 HB2 CYS 26 HB2 CYS 26 7.254 -0.985 -15.289
151 HB3 CYS 26 HB3 CYS 26 5.923 -0.871 -16.454
152 H GLY 27 H GLY 27 4.634 2.335 -13.823
153 HA2 GLY 27 HA2 GLY 27 1.963 1.874 -14.648
154 HA3 GLY 27 HA3 GLY 27 2.571 3.327 -13.898
155 HA PRO 28 HA PRO 28 1.917 3.891 -18.528
156 HB2 PRO 28 HB2 PRO 28 -0.192 5.513 -18.632
157 HB3 PRO 28 HB3 PRO 28 -0.392 3.706 -18.480
158 HG2 PRO 28 HG2 PRO 28 -0.512 5.773 -16.335
159 HG3 PRO 28 HG3 PRO 28 -1.654 4.416 -16.677
160 HD2 PRO 28 HD2 PRO 28 0.394 4.388 -14.820
161 HD3 PRO 28 HD3 PRO 28 -0.199 2.913 -15.720
162 H ASN 29 H ASN 29 2.193 5.891 -15.868
163 HA ASN 29 HA ASN 29 2.808 8.459 -17.167
164 HB2 ASN 29 HB2 ASN 29 3.620 9.044 -14.882
165 HB3 ASN 29 HB3 ASN 29 2.048 8.378 -14.764
166 HD21 ASN 29 HD21 ASN 29 3.371 8.386 -12.518
167 HD22 ASN 29 HD22 ASN 29 3.956 6.794 -12.084
168 H GLY 30 H GLY 30 4.366 5.409 -16.660
169 HA2 GLY 30 HA2 GLY 30 6.270 4.772 -17.898
170 HA3 GLY 30 HA3 GLY 30 6.810 6.489 -17.944
171 H PHE 31 H PHE 31 5.632 5.314 -14.977
172 HA PHE 31 HA PHE 31 8.411 4.983 -13.917
173 HB2 PHE 31 HB2 PHE 31 6.090 6.596 -12.810
174 HB3 PHE 31 HB3 PHE 31 7.371 6.109 -11.872
175 HD1 PHE 31 HD1 PHE 31 9.701 6.925 -12.309
176 HD2 PHE 31 HD2 PHE 31 6.292 8.430 -14.458
177 HE1 PHE 31 HE1 PHE 31 11.012 8.975 -13.033
178 HE2 PHE 31 HE2 PHE 31 7.624 10.464 -15.110
179 HZ PHE 31 HZ PHE 31 9.983 10.690 -14.403
180 H CYS 32 H CYS 32 8.651 3.770 -12.071
181 HA CYS 32 HA CYS 32 6.886 1.556 -11.687
182 HB2 CYS 32 HB2 CYS 32 8.962 2.758 -9.910
183 HB3 CYS 32 HB3 CYS 32 8.180 1.241 -9.524
184 H GLY 33 H GLY 33 5.347 1.057 -10.148
185 HA2 GLY 33 HA2 GLY 33 4.715 2.586 -7.826
186 HA3 GLY 33 HA3 GLY 33 3.742 3.253 -9.136
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 0.150 0.071 -2.657
2 H2 GLY 1 H2 GLY 1 1.193 -1.156 -3.033
3 H3 GLY 1 H3 GLY 1 1.078 -0.595 -1.472
4 HA2 GLY 1 HA2 GLY 1 2.106 0.819 -3.835
5 HA3 GLY 1 HA3 GLY 1 1.766 1.612 -2.250
6 H CYS 2 H CYS 2 4.395 1.597 -3.324
7 HA CYS 2 HA CYS 2 5.830 -0.019 -1.239
8 HB2 CYS 2 HB2 CYS 2 7.472 -0.080 -3.512
9 HB3 CYS 2 HB3 CYS 2 6.499 -1.435 -2.905
10 HA PRO 3 HA PRO 3 8.000 3.883 -1.069
11 HB2 PRO 3 HB2 PRO 3 10.684 3.456 -0.842
12 HB3 PRO 3 HB3 PRO 3 9.514 2.946 0.418
13 HG2 PRO 3 HG2 PRO 3 10.697 1.386 -1.869
14 HG3 PRO 3 HG3 PRO 3 10.695 1.020 -0.093
15 HD2 PRO 3 HD2 PRO 3 8.866 -0.059 -1.818
16 HD3 PRO 3 HD3 PRO 3 8.426 0.437 -0.115
17 H GLN 4 H GLN 4 7.288 3.312 -3.657
18 HA GLN 4 HA GLN 4 9.275 4.840 -5.267
19 HB2 GLN 4 HB2 GLN 4 7.229 2.770 -6.003
20 HB3 GLN 4 HB3 GLN 4 8.005 3.778 -7.224
21 HG2 GLN 4 HG2 GLN 4 9.642 1.969 -5.319
22 HG3 GLN 4 HG3 GLN 4 9.033 1.364 -6.882
23 HE21 GLN 4 HE21 GLN 4 11.535 1.070 -6.606
24 HE22 GLN 4 HE22 GLN 4 12.377 2.254 -7.553
25 H GLY 5 H GLY 5 6.454 4.837 -3.469
26 HA2 GLY 5 HA2 GLY 5 5.501 7.236 -4.989
27 HA3 GLY 5 HA3 GLY 5 4.357 5.895 -4.682
28 H ARG 6 H ARG 6 6.820 7.625 -2.728
29 HA ARG 6 HA ARG 6 4.663 8.214 -0.767
30 HB2 ARG 6 HB2 ARG 6 7.531 7.754 0.068
31 HB3 ARG 6 HB3 ARG 6 6.082 7.837 1.092
32 HG2 ARG 6 HG2 ARG 6 6.845 5.554 -0.846
33 HG3 ARG 6 HG3 ARG 6 6.891 5.561 0.938
34 HD2 ARG 6 HD2 ARG 6 4.408 5.788 -0.806
35 HD3 ARG 6 HD3 ARG 6 4.930 4.355 0.089
36 HE ARG 6 HE ARG 6 4.701 5.830 2.146
37 HH11 ARG 6 HH11 ARG 6 2.552 5.970 -0.606
38 HH12 ARG 6 HH12 ARG 6 1.218 6.476 0.381
39 HH21 ARG 6 HH21 ARG 6 2.977 6.523 3.332
40 HH22 ARG 6 HH22 ARG 6 1.424 6.801 2.589
41 H GLY 7 H GLY 7 5.547 10.051 0.774
42 HA2 GLY 7 HA2 GLY 7 5.577 12.304 -0.803
43 HA3 GLY 7 HA3 GLY 7 6.052 12.299 0.905
44 H ASP 8 H ASP 8 8.543 10.925 0.783
45 HA ASP 8 HA ASP 8 10.132 12.764 -0.898
46 HB2 ASP 8 HB2 ASP 8 10.860 11.109 1.509
47 HB3 ASP 8 HB3 ASP 8 12.026 12.036 0.611
48 H TRP 9 H TRP 9 8.799 9.902 -1.466
49 HA TRP 9 HA TRP 9 11.276 8.665 -2.600
50 HB2 TRP 9 HB2 TRP 9 8.760 7.331 -1.560
51 HB3 TRP 9 HB3 TRP 9 9.862 6.587 -2.705
52 HD1 TRP 9 HD1 TRP 9 11.883 5.352 -1.789
53 HE1 TRP 9 HE1 TRP 9 13.038 5.168 0.511
54 HE3 TRP 9 HE3 TRP 9 9.194 8.921 0.731
55 HZ2 TRP 9 HZ2 TRP 9 12.865 6.448 3.050
56 HZ3 TRP 9 HZ3 TRP 9 9.696 9.405 3.070
57 HH2 TRP 9 HH2 TRP 9 11.590 8.227 4.254
58 H ALA 10 H ALA 10 11.146 9.996 -4.317
59 HA ALA 10 HA ALA 10 8.906 10.197 -6.107
60 HB1 ALA 10 HB1 ALA 10 11.892 10.530 -6.775
61 HB2 ALA 10 HB2 ALA 10 10.496 11.305 -7.580
62 HB3 ALA 10 HB3 ALA 10 10.963 11.785 -5.944
63 HA PRO 11 HA PRO 11 9.394 6.219 -7.834
64 HB2 PRO 11 HB2 PRO 11 8.281 6.384 -10.249
65 HB3 PRO 11 HB3 PRO 11 7.336 6.629 -8.760
66 HG2 PRO 11 HG2 PRO 11 8.328 8.765 -10.602
67 HG3 PRO 11 HG3 PRO 11 6.752 8.594 -9.816
68 HD2 PRO 11 HD2 PRO 11 8.729 10.181 -8.765
69 HD3 PRO 11 HD3 PRO 11 7.476 9.339 -7.755
70 H THR 12 H THR 12 10.185 4.850 -9.596
71 HA THR 12 HA THR 12 12.681 6.041 -10.794
72 HB THR 12 HB THR 12 11.947 3.130 -10.335
73 HG1 THR 12 HG1 THR 12 12.411 4.815 -8.534
74 HG21 THR 12 HG21 THR 12 14.595 4.445 -11.067
75 HG22 THR 12 HG22 THR 12 13.606 3.384 -12.138
76 HG23 THR 12 HG23 THR 12 14.374 2.728 -10.664
77 H SER 13 H SER 13 12.889 6.140 -13.065
78 HA SER 13 HA SER 13 10.569 5.732 -14.730
79 HB2 SER 13 HB2 SER 13 12.369 6.068 -16.566
80 HB3 SER 13 HB3 SER 13 12.154 7.399 -15.437
81 HG SER 13 HG SER 13 14.154 5.388 -15.171
82 H CYS 14 H CYS 14 10.053 4.004 -15.920
83 HA CYS 14 HA CYS 14 11.969 1.691 -16.120
84 HB2 CYS 14 HB2 CYS 14 9.959 0.204 -15.444
85 HB3 CYS 14 HB3 CYS 14 10.577 1.308 -14.153
86 H SER 15 H SER 15 11.112 0.000 -17.542
87 HA SER 15 HA SER 15 9.297 1.023 -19.742
88 HB2 SER 15 HB2 SER 15 11.708 -0.815 -20.126
89 HB3 SER 15 HB3 SER 15 10.741 -0.060 -21.370
90 HG SER 15 HG SER 15 12.284 1.349 -19.450
91 H GLN 16 H GLN 16 10.120 -1.367 -17.368
92 HA GLN 16 HA GLN 16 7.830 -3.084 -18.200
93 HB2 GLN 16 HB2 GLN 16 9.062 -5.132 -18.178
94 HB3 GLN 16 HB3 GLN 16 9.841 -4.065 -19.341
95 HG2 GLN 16 HG2 GLN 16 11.537 -3.507 -17.566
96 HG3 GLN 16 HG3 GLN 16 10.781 -4.760 -16.595
97 HE21 GLN 16 HE21 GLN 16 13.527 -4.504 -17.713
98 HE22 GLN 16 HE22 GLN 16 13.807 -5.972 -18.659
99 H ASP 17 H ASP 17 7.157 -4.511 -16.524
100 HA ASP 17 HA ASP 17 7.227 -3.317 -13.912
101 HB2 ASP 17 HB2 ASP 17 6.555 -6.211 -14.713
102 HB3 ASP 17 HB3 ASP 17 6.270 -5.487 -13.100
103 H SER 18 H SER 18 9.372 -5.708 -15.453
104 HA SER 18 HA SER 18 10.371 -6.722 -12.886
105 HB2 SER 18 HB2 SER 18 10.731 -7.968 -14.980
106 HB3 SER 18 HB3 SER 18 11.734 -6.640 -15.621
107 HG SER 18 HG SER 18 12.425 -7.840 -13.136
108 H ASP 19 H ASP 19 10.867 -3.668 -14.512
109 HA ASP 19 HA ASP 19 13.498 -3.116 -13.366
110 HB2 ASP 19 HB2 ASP 19 11.325 -1.180 -14.242
111 HB3 ASP 19 HB3 ASP 19 13.031 -0.790 -13.926
112 H CYS 20 H CYS 20 10.280 -3.373 -12.066
113 HA CYS 20 HA CYS 20 10.846 -1.261 -10.052
114 HB2 CYS 20 HB2 CYS 20 8.301 -2.803 -10.525
115 HB3 CYS 20 HB3 CYS 20 8.467 -1.361 -9.561
116 H LEU 21 H LEU 21 9.677 -1.768 -7.806
117 HA LEU 21 HA LEU 21 11.121 -4.016 -6.673
118 HB2 LEU 21 HB2 LEU 21 9.204 -2.002 -5.582
119 HB3 LEU 21 HB3 LEU 21 10.022 -3.186 -4.577
120 HG LEU 21 HG LEU 21 11.415 -1.078 -6.267
121 HD11 LEU 21 HD11 LEU 21 9.979 -0.096 -4.440
122 HD12 LEU 21 HD12 LEU 21 11.683 0.231 -4.222
123 HD13 LEU 21 HD13 LEU 21 10.895 -1.068 -3.241
124 HD21 LEU 21 HD21 LEU 21 13.388 -1.539 -4.836
125 HD22 LEU 21 HD22 LEU 21 12.932 -2.955 -5.721
126 HD23 LEU 21 HD23 LEU 21 12.522 -2.808 -3.999
127 H ALA 22 H ALA 22 9.857 -5.416 -5.028
128 HA ALA 22 HA ALA 22 8.004 -6.963 -6.512
129 HB1 ALA 22 HB1 ALA 22 8.529 -6.985 -3.529
130 HB2 ALA 22 HB2 ALA 22 7.822 -8.311 -4.502
131 HB3 ALA 22 HB3 ALA 22 9.527 -7.832 -4.720
132 H GLY 23 H GLY 23 5.863 -6.679 -6.876
133 HA2 GLY 23 HA2 GLY 23 3.674 -6.504 -6.174
134 HA3 GLY 23 HA3 GLY 23 4.117 -5.682 -4.702
135 H CYS 24 H CYS 24 5.911 -4.390 -7.226
136 HA CYS 24 HA CYS 24 3.916 -2.175 -7.727
137 HB2 CYS 24 HB2 CYS 24 6.897 -2.019 -8.109
138 HB3 CYS 24 HB3 CYS 24 5.787 -0.706 -7.732
139 H VAL 25 H VAL 25 4.107 -1.196 -9.838
140 HA VAL 25 HA VAL 25 5.041 -3.130 -11.989
141 HB VAL 25 HB VAL 25 2.914 -2.510 -13.315
142 HG11 VAL 25 HG11 VAL 25 1.465 -4.065 -12.179
143 HG12 VAL 25 HG12 VAL 25 3.132 -4.627 -12.117
144 HG13 VAL 25 HG13 VAL 25 2.425 -3.896 -10.664
145 HG21 VAL 25 HG21 VAL 25 1.896 -1.302 -10.599
146 HG22 VAL 25 HG22 VAL 25 2.324 -0.346 -11.996
147 HG23 VAL 25 HG23 VAL 25 0.946 -1.426 -12.076
148 H CYS 26 H CYS 26 5.033 -1.955 -14.207
149 HA CYS 26 HA CYS 26 6.127 0.785 -13.807
150 HB2 CYS 26 HB2 CYS 26 7.233 -0.949 -15.292
151 HB3 CYS 26 HB3 CYS 26 5.908 -0.827 -16.415
152 H GLY 27 H GLY 27 4.646 2.395 -13.813
153 HA2 GLY 27 HA2 GLY 27 1.945 1.890 -14.575
154 HA3 GLY 27 HA3 GLY 27 2.586 3.386 -13.865
155 HA PRO 28 HA PRO 28 1.676 3.833 -18.503
156 HB2 PRO 28 HB2 PRO 28 -0.341 5.552 -18.491
157 HB3 PRO 28 HB3 PRO 28 -0.608 3.728 -18.231
158 HG2 PRO 28 HG2 PRO 28 -0.482 5.922 -16.162
159 HG3 PRO 28 HG3 PRO 28 -1.702 4.588 -16.366
160 HD2 PRO 28 HD2 PRO 28 0.499 4.521 -14.672
161 HD3 PRO 28 HD3 PRO 28 -0.244 3.055 -15.454
162 H ASN 29 H ASN 29 2.324 5.837 -15.914
163 HA ASN 29 HA ASN 29 3.053 8.302 -17.390
164 HB2 ASN 29 HB2 ASN 29 3.943 8.941 -15.130
165 HB3 ASN 29 HB3 ASN 29 2.304 8.436 -15.003
166 HD21 ASN 29 HD21 ASN 29 3.324 8.359 -12.713
167 HD22 ASN 29 HD22 ASN 29 3.828 6.768 -12.197
168 H GLY 30 H GLY 30 4.423 5.166 -16.799
169 HA2 GLY 30 HA2 GLY 30 6.341 4.379 -17.867
170 HA3 GLY 30 HA3 GLY 30 6.879 6.079 -18.125
171 H PHE 31 H PHE 31 5.729 5.127 -15.046
172 HA PHE 31 HA PHE 31 8.528 5.009 -13.932
173 HB2 PHE 31 HB2 PHE 31 6.181 6.669 -13.066
174 HB3 PHE 31 HB3 PHE 31 7.310 6.216 -11.967
175 HD1 PHE 31 HD1 PHE 31 9.755 6.868 -12.326
176 HD2 PHE 31 HD2 PHE 31 6.542 8.502 -14.654
177 HE1 PHE 31 HE1 PHE 31 11.192 8.830 -13.018
178 HE2 PHE 31 HE2 PHE 31 7.958 10.462 -15.272
179 HZ PHE 31 HZ PHE 31 10.324 10.582 -14.478
180 H CYS 32 H CYS 32 8.773 3.736 -12.133
181 HA CYS 32 HA CYS 32 6.914 1.595 -11.693
182 HB2 CYS 32 HB2 CYS 32 9.146 2.677 -10.022
183 HB3 CYS 32 HB3 CYS 32 8.282 1.189 -9.629
184 H GLY 33 H GLY 33 5.466 1.118 -10.085
185 HA2 GLY 33 HA2 GLY 33 5.254 2.699 -7.654
186 HA3 GLY 33 HA3 GLY 33 3.968 3.136 -8.780
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 1.357 1.476 -0.743
2 H2 GLY 1 H2 GLY 1 0.250 0.466 -1.296
3 H3 GLY 1 H3 GLY 1 1.423 -0.084 -0.227
4 HA2 GLY 1 HA2 GLY 1 1.845 -0.742 -2.496
5 HA3 GLY 1 HA3 GLY 1 1.916 0.978 -2.915
6 H CYS 2 H CYS 2 4.267 -0.308 -3.509
7 HA CYS 2 HA CYS 2 6.109 -0.242 -1.246
8 HB2 CYS 2 HB2 CYS 2 7.798 -0.482 -3.076
9 HB3 CYS 2 HB3 CYS 2 6.513 -1.669 -3.113
10 HA PRO 3 HA PRO 3 7.076 3.987 -1.373
11 HB2 PRO 3 HB2 PRO 3 9.668 4.217 -0.694
12 HB3 PRO 3 HB3 PRO 3 8.431 3.568 0.440
13 HG2 PRO 3 HG2 PRO 3 10.297 2.055 -1.448
14 HG3 PRO 3 HG3 PRO 3 10.080 1.882 0.338
15 HD2 PRO 3 HD2 PRO 3 8.842 0.292 -1.486
16 HD3 PRO 3 HD3 PRO 3 8.025 0.818 0.060
17 H GLN 4 H GLN 4 6.684 3.750 -3.812
18 HA GLN 4 HA GLN 4 8.958 5.053 -5.232
19 HB2 GLN 4 HB2 GLN 4 6.858 3.124 -6.198
20 HB3 GLN 4 HB3 GLN 4 7.892 4.056 -7.305
21 HG2 GLN 4 HG2 GLN 4 9.089 2.152 -5.185
22 HG3 GLN 4 HG3 GLN 4 8.665 1.600 -6.830
23 HE21 GLN 4 HE21 GLN 4 10.805 0.991 -7.101
24 HE22 GLN 4 HE22 GLN 4 11.920 2.202 -7.591
25 H GLY 5 H GLY 5 6.800 6.034 -3.396
26 HA2 GLY 5 HA2 GLY 5 5.912 8.145 -5.148
27 HA3 GLY 5 HA3 GLY 5 4.542 7.030 -4.853
28 H ARG 6 H ARG 6 7.214 8.391 -2.968
29 HA ARG 6 HA ARG 6 5.191 9.339 -0.984
30 HB2 ARG 6 HB2 ARG 6 7.919 8.308 -0.260
31 HB3 ARG 6 HB3 ARG 6 6.614 8.794 0.850
32 HG2 ARG 6 HG2 ARG 6 5.383 6.843 -0.605
33 HG3 ARG 6 HG3 ARG 6 7.029 6.229 -0.669
34 HD2 ARG 6 HD2 ARG 6 6.096 5.276 1.223
35 HD3 ARG 6 HD3 ARG 6 6.945 6.626 1.982
36 HE ARG 6 HE ARG 6 4.257 7.330 1.185
37 HH11 ARG 6 HH11 ARG 6 5.907 5.323 3.638
38 HH12 ARG 6 HH12 ARG 6 4.591 5.521 4.787
39 HH21 ARG 6 HH21 ARG 6 2.608 7.492 2.695
40 HH22 ARG 6 HH22 ARG 6 2.708 6.659 4.222
41 H GLY 7 H GLY 7 6.297 11.003 0.541
42 HA2 GLY 7 HA2 GLY 7 6.836 13.216 -0.979
43 HA3 GLY 7 HA3 GLY 7 7.255 13.071 0.746
44 H ASP 8 H ASP 8 9.404 11.238 0.648
45 HA ASP 8 HA ASP 8 11.349 12.755 -0.999
46 HB2 ASP 8 HB2 ASP 8 11.749 10.957 1.392
47 HB3 ASP 8 HB3 ASP 8 13.052 11.690 0.530
48 H TRP 9 H TRP 9 9.537 10.055 -1.439
49 HA TRP 9 HA TRP 9 11.703 8.600 -2.873
50 HB2 TRP 9 HB2 TRP 9 9.180 7.404 -1.591
51 HB3 TRP 9 HB3 TRP 9 10.196 6.636 -2.805
52 HD1 TRP 9 HD1 TRP 9 12.104 5.189 -1.990
53 HE1 TRP 9 HE1 TRP 9 13.377 4.876 0.256
54 HE3 TRP 9 HE3 TRP 9 9.906 8.974 0.632
55 HZ2 TRP 9 HZ2 TRP 9 13.428 6.172 2.786
56 HZ3 TRP 9 HZ3 TRP 9 10.565 9.419 2.965
57 HH2 TRP 9 HH2 TRP 9 12.390 8.054 4.034
58 H ALA 10 H ALA 10 11.408 10.026 -4.525
59 HA ALA 10 HA ALA 10 8.900 10.177 -6.013
60 HB1 ALA 10 HB1 ALA 10 10.575 11.987 -6.252
61 HB2 ALA 10 HB2 ALA 10 11.838 10.817 -6.714
62 HB3 ALA 10 HB3 ALA 10 10.469 11.128 -7.792
63 HA PRO 11 HA PRO 11 9.448 6.190 -7.737
64 HB2 PRO 11 HB2 PRO 11 8.394 6.336 -10.206
65 HB3 PRO 11 HB3 PRO 11 7.392 6.417 -8.757
66 HG2 PRO 11 HG2 PRO 11 8.203 8.681 -10.486
67 HG3 PRO 11 HG3 PRO 11 6.688 8.394 -9.664
68 HD2 PRO 11 HD2 PRO 11 8.537 10.098 -8.679
69 HD3 PRO 11 HD3 PRO 11 7.389 9.150 -7.635
70 H THR 12 H THR 12 10.243 4.830 -9.557
71 HA THR 12 HA THR 12 12.693 6.072 -10.743
72 HB THR 12 HB THR 12 11.951 3.187 -10.218
73 HG1 THR 12 HG1 THR 12 13.745 3.516 -8.658
74 HG21 THR 12 HG21 THR 12 14.612 4.374 -11.201
75 HG22 THR 12 HG22 THR 12 13.524 3.313 -12.159
76 HG23 THR 12 HG23 THR 12 14.339 2.668 -10.733
77 H SER 13 H SER 13 12.855 6.164 -13.051
78 HA SER 13 HA SER 13 10.487 5.626 -14.601
79 HB2 SER 13 HB2 SER 13 11.977 6.253 -16.526
80 HB3 SER 13 HB3 SER 13 12.116 7.444 -15.243
81 HG SER 13 HG SER 13 14.139 6.733 -16.160
82 H CYS 14 H CYS 14 10.085 3.967 -15.955
83 HA CYS 14 HA CYS 14 12.060 1.677 -16.096
84 HB2 CYS 14 HB2 CYS 14 10.061 0.163 -15.505
85 HB3 CYS 14 HB3 CYS 14 10.655 1.209 -14.154
86 H SER 15 H SER 15 11.180 -0.006 -17.557
87 HA SER 15 HA SER 15 9.378 1.048 -19.744
88 HB2 SER 15 HB2 SER 15 11.793 -0.840 -20.174
89 HB3 SER 15 HB3 SER 15 10.798 -0.052 -21.373
90 HG SER 15 HG SER 15 11.681 1.943 -20.087
91 H GLN 16 H GLN 16 10.092 -1.355 -17.359
92 HA GLN 16 HA GLN 16 7.731 -2.936 -18.179
93 HB2 GLN 16 HB2 GLN 16 8.841 -5.048 -18.160
94 HB3 GLN 16 HB3 GLN 16 9.645 -4.024 -19.344
95 HG2 GLN 16 HG2 GLN 16 11.457 -3.632 -17.658
96 HG3 GLN 16 HG3 GLN 16 10.596 -4.733 -16.582
97 HE21 GLN 16 HE21 GLN 16 13.282 -4.715 -18.120
98 HE22 GLN 16 HE22 GLN 16 13.356 -6.323 -18.864
99 H ASP 17 H ASP 17 7.097 -4.438 -16.515
100 HA ASP 17 HA ASP 17 7.146 -3.308 -13.885
101 HB2 ASP 17 HB2 ASP 17 6.522 -6.203 -14.677
102 HB3 ASP 17 HB3 ASP 17 6.048 -5.394 -13.188
103 H SER 18 H SER 18 9.277 -5.672 -15.468
104 HA SER 18 HA SER 18 10.264 -6.733 -12.880
105 HB2 SER 18 HB2 SER 18 10.446 -7.911 -15.148
106 HB3 SER 18 HB3 SER 18 11.751 -6.789 -15.551
107 HG SER 18 HG SER 18 11.670 -8.536 -13.244
108 H ASP 19 H ASP 19 10.743 -3.706 -14.491
109 HA ASP 19 HA ASP 19 13.472 -3.240 -13.443
110 HB2 ASP 19 HB2 ASP 19 11.355 -1.265 -14.308
111 HB3 ASP 19 HB3 ASP 19 13.061 -0.901 -14.022
112 H CYS 20 H CYS 20 10.317 -3.457 -12.032
113 HA CYS 20 HA CYS 20 10.933 -1.262 -10.126
114 HB2 CYS 20 HB2 CYS 20 8.376 -2.806 -10.542
115 HB3 CYS 20 HB3 CYS 20 8.559 -1.354 -9.589
116 H LEU 21 H LEU 21 9.863 -1.595 -7.854
117 HA LEU 21 HA LEU 21 11.290 -3.766 -6.567
118 HB2 LEU 21 HB2 LEU 21 9.246 -1.771 -5.641
119 HB3 LEU 21 HB3 LEU 21 10.039 -2.916 -4.564
120 HG LEU 21 HG LEU 21 11.519 -0.816 -6.212
121 HD11 LEU 21 HD11 LEU 21 10.554 -0.739 -3.272
122 HD12 LEU 21 HD12 LEU 21 10.037 0.324 -4.578
123 HD13 LEU 21 HD13 LEU 21 11.705 0.422 -3.971
124 HD21 LEU 21 HD21 LEU 21 12.404 -2.727 -3.997
125 HD22 LEU 21 HD22 LEU 21 13.282 -1.222 -4.314
126 HD23 LEU 21 HD23 LEU 21 13.123 -2.447 -5.597
127 H ALA 22 H ALA 22 10.060 -5.175 -4.983
128 HA ALA 22 HA ALA 22 8.426 -6.880 -6.481
129 HB1 ALA 22 HB1 ALA 22 8.662 -6.718 -3.457
130 HB2 ALA 22 HB2 ALA 22 8.081 -8.112 -4.395
131 HB3 ALA 22 HB3 ALA 22 9.768 -7.554 -4.545
132 H GLY 23 H GLY 23 6.346 -6.856 -7.124
133 HA2 GLY 23 HA2 GLY 23 4.081 -6.847 -6.775
134 HA3 GLY 23 HA3 GLY 23 4.248 -6.059 -5.237
135 H CYS 24 H CYS 24 6.202 -4.293 -7.161
136 HA CYS 24 HA CYS 24 4.084 -2.291 -7.753
137 HB2 CYS 24 HB2 CYS 24 7.015 -1.957 -8.220
138 HB3 CYS 24 HB3 CYS 24 5.848 -0.728 -7.730
139 H VAL 25 H VAL 25 3.989 -1.348 -9.851
140 HA VAL 25 HA VAL 25 5.061 -3.140 -12.053
141 HB VAL 25 HB VAL 25 2.850 -2.546 -13.317
142 HG11 VAL 25 HG11 VAL 25 1.504 -4.140 -12.187
143 HG12 VAL 25 HG12 VAL 25 3.169 -4.667 -12.156
144 HG13 VAL 25 HG13 VAL 25 2.473 -3.987 -10.667
145 HG21 VAL 25 HG21 VAL 25 2.221 -0.439 -11.971
146 HG22 VAL 25 HG22 VAL 25 0.935 -1.602 -12.017
147 HG23 VAL 25 HG23 VAL 25 1.914 -1.437 -10.528
148 H CYS 26 H CYS 26 5.042 -1.980 -14.266
149 HA CYS 26 HA CYS 26 6.124 0.771 -13.818
150 HB2 CYS 26 HB2 CYS 26 7.201 -0.992 -15.338
151 HB3 CYS 26 HB3 CYS 26 5.888 -0.804 -16.481
152 H GLY 27 H GLY 27 4.626 2.364 -13.841
153 HA2 GLY 27 HA2 GLY 27 1.917 1.858 -14.584
154 HA3 GLY 27 HA3 GLY 27 2.565 3.340 -13.843
155 HA PRO 28 HA PRO 28 1.718 3.948 -18.441
156 HB2 PRO 28 HB2 PRO 28 -0.292 5.665 -18.407
157 HB3 PRO 28 HB3 PRO 28 -0.589 3.870 -18.242
158 HG2 PRO 28 HG2 PRO 28 -0.492 5.966 -16.110
159 HG3 PRO 28 HG3 PRO 28 -1.694 4.660 -16.357
160 HD2 PRO 28 HD2 PRO 28 0.471 4.536 -14.617
161 HD3 PRO 28 HD3 PRO 28 -0.266 3.092 -15.457
162 H ASN 29 H ASN 29 2.310 5.884 -15.790
163 HA ASN 29 HA ASN 29 3.062 8.374 -17.137
164 HB2 ASN 29 HB2 ASN 29 3.890 8.964 -14.847
165 HB3 ASN 29 HB3 ASN 29 2.256 8.417 -14.785
166 HD21 ASN 29 HD21 ASN 29 3.404 8.335 -12.477
167 HD22 ASN 29 HD22 ASN 29 3.862 6.716 -11.992
168 H GLY 30 H GLY 30 4.399 5.221 -16.768
169 HA2 GLY 30 HA2 GLY 30 6.339 4.468 -17.804
170 HA3 GLY 30 HA3 GLY 30 6.842 6.160 -18.023
171 H PHE 31 H PHE 31 5.740 5.264 -14.976
172 HA PHE 31 HA PHE 31 8.514 5.024 -13.837
173 HB2 PHE 31 HB2 PHE 31 6.124 6.616 -12.878
174 HB3 PHE 31 HB3 PHE 31 7.299 6.124 -11.847
175 HD1 PHE 31 HD1 PHE 31 9.754 6.799 -12.349
176 HD2 PHE 31 HD2 PHE 31 6.370 8.618 -14.242
177 HE1 PHE 31 HE1 PHE 31 11.120 8.866 -12.865
178 HE2 PHE 31 HE2 PHE 31 7.702 10.695 -14.660
179 HZ PHE 31 HZ PHE 31 10.094 10.784 -14.027
180 H CYS 32 H CYS 32 8.720 3.726 -12.047
181 HA CYS 32 HA CYS 32 6.900 1.521 -11.766
182 HB2 CYS 32 HB2 CYS 32 8.979 2.633 -9.941
183 HB3 CYS 32 HB3 CYS 32 8.175 1.081 -9.649
184 H GLY 33 H GLY 33 5.418 0.993 -10.134
185 HA2 GLY 33 HA2 GLY 33 4.945 2.775 -7.834
186 HA3 GLY 33 HA3 GLY 33 3.702 2.939 -9.049
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -0.470 -0.580 -1.928
2 H2 GLY 1 H2 GLY 1 0.473 -1.899 -2.117
3 H3 GLY 1 H3 GLY 1 0.674 -0.905 -0.794
4 HA2 GLY 1 HA2 GLY 1 1.142 -0.197 -3.625
5 HA3 GLY 1 HA3 GLY 1 1.236 0.951 -2.251
6 H CYS 2 H CYS 2 3.554 0.971 -3.464
7 HA CYS 2 HA CYS 2 5.326 -0.570 -1.611
8 HB2 CYS 2 HB2 CYS 2 6.824 -0.777 -3.822
9 HB3 CYS 2 HB3 CYS 2 5.541 -1.939 -3.514
10 HA PRO 3 HA PRO 3 7.136 3.421 -1.316
11 HB2 PRO 3 HB2 PRO 3 9.750 3.048 -0.690
12 HB3 PRO 3 HB3 PRO 3 8.404 2.495 0.366
13 HG2 PRO 3 HG2 PRO 3 9.957 0.956 -1.743
14 HG3 PRO 3 HG3 PRO 3 9.715 0.559 0.002
15 HD2 PRO 3 HD2 PRO 3 8.146 -0.502 -1.982
16 HD3 PRO 3 HD3 PRO 3 7.455 -0.043 -0.364
17 H GLN 4 H GLN 4 6.771 3.148 -3.969
18 HA GLN 4 HA GLN 4 9.134 4.648 -5.048
19 HB2 GLN 4 HB2 GLN 4 7.192 2.763 -6.383
20 HB3 GLN 4 HB3 GLN 4 8.252 3.837 -7.322
21 HG2 GLN 4 HG2 GLN 4 9.424 1.854 -5.318
22 HG3 GLN 4 HG3 GLN 4 9.113 1.376 -6.973
23 HE21 GLN 4 HE21 GLN 4 11.394 0.912 -6.959
24 HE22 GLN 4 HE22 GLN 4 12.425 2.227 -7.391
25 H GLY 5 H GLY 5 6.206 4.951 -3.663
26 HA2 GLY 5 HA2 GLY 5 5.697 7.439 -5.243
27 HA3 GLY 5 HA3 GLY 5 4.379 6.256 -5.140
28 H ARG 6 H ARG 6 6.753 7.514 -2.824
29 HA ARG 6 HA ARG 6 4.486 8.221 -1.020
30 HB2 ARG 6 HB2 ARG 6 7.264 7.674 -0.068
31 HB3 ARG 6 HB3 ARG 6 5.820 7.883 0.905
32 HG2 ARG 6 HG2 ARG 6 5.826 5.525 -1.070
33 HG3 ARG 6 HG3 ARG 6 6.911 5.494 0.308
34 HD2 ARG 6 HD2 ARG 6 4.878 4.401 0.868
35 HD3 ARG 6 HD3 ARG 6 4.945 5.887 1.842
36 HE ARG 6 HE ARG 6 3.231 6.823 0.607
37 HH11 ARG 6 HH11 ARG 6 3.994 3.643 -0.772
38 HH12 ARG 6 HH12 ARG 6 2.521 3.664 -1.715
39 HH21 ARG 6 HH21 ARG 6 1.401 6.731 -0.581
40 HH22 ARG 6 HH22 ARG 6 1.014 5.372 -1.635
41 H GLY 7 H GLY 7 5.996 9.952 0.689
42 HA2 GLY 7 HA2 GLY 7 5.915 12.291 -0.849
43 HA3 GLY 7 HA3 GLY 7 6.650 12.183 0.800
44 H ASP 8 H ASP 8 8.976 11.169 0.691
45 HA ASP 8 HA ASP 8 10.393 12.486 -1.544
46 HB2 ASP 8 HB2 ASP 8 11.352 11.382 1.089
47 HB3 ASP 8 HB3 ASP 8 12.424 12.108 -0.070
48 H TRP 9 H TRP 9 9.041 9.586 -1.315
49 HA TRP 9 HA TRP 9 11.350 8.003 -2.307
50 HB2 TRP 9 HB2 TRP 9 8.541 7.203 -1.542
51 HB3 TRP 9 HB3 TRP 9 9.625 6.208 -2.511
52 HD1 TRP 9 HD1 TRP 9 11.154 4.618 -1.275
53 HE1 TRP 9 HE1 TRP 9 12.029 4.352 1.124
54 HE3 TRP 9 HE3 TRP 9 9.101 8.838 0.751
55 HZ2 TRP 9 HZ2 TRP 9 11.868 5.785 3.557
56 HZ3 TRP 9 HZ3 TRP 9 9.478 9.369 3.111
57 HH2 TRP 9 HH2 TRP 9 10.930 7.879 4.544
58 H ALA 10 H ALA 10 11.553 9.390 -4.039
59 HA ALA 10 HA ALA 10 9.473 9.908 -5.938
60 HB1 ALA 10 HB1 ALA 10 12.504 9.972 -6.399
61 HB2 ALA 10 HB2 ALA 10 11.245 10.899 -7.281
62 HB3 ALA 10 HB3 ALA 10 11.625 11.283 -5.599
63 HA PRO 11 HA PRO 11 9.681 6.000 -7.858
64 HB2 PRO 11 HB2 PRO 11 8.611 6.410 -10.302
65 HB3 PRO 11 HB3 PRO 11 7.645 6.583 -8.799
66 HG2 PRO 11 HG2 PRO 11 8.817 8.800 -10.451
67 HG3 PRO 11 HG3 PRO 11 7.237 8.657 -9.662
68 HD2 PRO 11 HD2 PRO 11 9.295 10.014 -8.536
69 HD3 PRO 11 HD3 PRO 11 7.978 9.220 -7.584
70 H THR 12 H THR 12 10.308 4.689 -9.764
71 HA THR 12 HA THR 12 12.890 5.760 -10.923
72 HB THR 12 HB THR 12 11.899 2.907 -10.704
73 HG1 THR 12 HG1 THR 12 12.602 4.374 -8.754
74 HG21 THR 12 HG21 THR 12 13.561 3.031 -12.493
75 HG22 THR 12 HG22 THR 12 14.337 2.350 -11.046
76 HG23 THR 12 HG23 THR 12 14.610 4.036 -11.499
77 H SER 13 H SER 13 12.982 6.068 -13.159
78 HA SER 13 HA SER 13 10.600 5.791 -14.742
79 HB2 SER 13 HB2 SER 13 12.356 6.271 -16.633
80 HB3 SER 13 HB3 SER 13 12.133 7.565 -15.459
81 HG SER 13 HG SER 13 14.336 7.119 -15.822
82 H CYS 14 H CYS 14 9.982 4.047 -15.918
83 HA CYS 14 HA CYS 14 11.946 1.757 -16.151
84 HB2 CYS 14 HB2 CYS 14 9.983 0.253 -15.444
85 HB3 CYS 14 HB3 CYS 14 10.541 1.424 -14.179
86 H SER 15 H SER 15 11.062 0.036 -17.516
87 HA SER 15 HA SER 15 9.201 1.000 -19.702
88 HB2 SER 15 HB2 SER 15 11.595 -0.851 -20.107
89 HB3 SER 15 HB3 SER 15 10.602 -0.117 -21.330
90 HG SER 15 HG SER 15 12.732 0.863 -20.894
91 H GLN 16 H GLN 16 10.064 -1.319 -17.281
92 HA GLN 16 HA GLN 16 7.822 -3.113 -18.106
93 HB2 GLN 16 HB2 GLN 16 9.148 -5.113 -18.099
94 HB3 GLN 16 HB3 GLN 16 9.855 -4.010 -19.267
95 HG2 GLN 16 HG2 GLN 16 11.556 -3.407 -17.514
96 HG3 GLN 16 HG3 GLN 16 10.867 -4.710 -16.534
97 HE21 GLN 16 HE21 GLN 16 13.446 -3.990 -18.318
98 HE22 GLN 16 HE22 GLN 16 13.807 -5.547 -19.078
99 H ASP 17 H ASP 17 7.295 -4.647 -16.401
100 HA ASP 17 HA ASP 17 7.327 -3.457 -13.783
101 HB2 ASP 17 HB2 ASP 17 6.821 -6.404 -14.544
102 HB3 ASP 17 HB3 ASP 17 6.424 -5.618 -12.983
103 H SER 18 H SER 18 9.546 -5.725 -15.378
104 HA SER 18 HA SER 18 10.652 -6.757 -12.870
105 HB2 SER 18 HB2 SER 18 11.012 -7.967 -14.980
106 HB3 SER 18 HB3 SER 18 11.893 -6.604 -15.670
107 HG SER 18 HG SER 18 12.702 -8.000 -13.284
108 H ASP 19 H ASP 19 11.042 -3.669 -14.499
109 HA ASP 19 HA ASP 19 13.670 -3.023 -13.372
110 HB2 ASP 19 HB2 ASP 19 11.385 -1.182 -14.211
111 HB3 ASP 19 HB3 ASP 19 13.044 -0.686 -13.892
112 H CYS 20 H CYS 20 10.415 -3.346 -12.088
113 HA CYS 20 HA CYS 20 10.958 -1.246 -10.052
114 HB2 CYS 20 HB2 CYS 20 8.381 -2.690 -10.737
115 HB3 CYS 20 HB3 CYS 20 8.541 -1.276 -9.686
116 H LEU 21 H LEU 21 9.647 -1.707 -7.878
117 HA LEU 21 HA LEU 21 10.886 -4.023 -6.656
118 HB2 LEU 21 HB2 LEU 21 8.878 -2.001 -5.765
119 HB3 LEU 21 HB3 LEU 21 9.518 -3.229 -4.671
120 HG LEU 21 HG LEU 21 11.241 -1.155 -6.087
121 HD11 LEU 21 HD11 LEU 21 10.013 -1.115 -3.298
122 HD12 LEU 21 HD12 LEU 21 9.586 -0.048 -4.634
123 HD13 LEU 21 HD13 LEU 21 11.216 0.047 -3.912
124 HD21 LEU 21 HD21 LEU 21 11.728 -3.116 -3.798
125 HD22 LEU 21 HD22 LEU 21 12.755 -1.730 -4.072
126 HD23 LEU 21 HD23 LEU 21 12.632 -2.955 -5.329
127 H ALA 22 H ALA 22 9.502 -5.506 -5.249
128 HA ALA 22 HA ALA 22 7.393 -6.666 -6.833
129 HB1 ALA 22 HB1 ALA 22 7.062 -8.149 -4.880
130 HB2 ALA 22 HB2 ALA 22 8.772 -8.051 -5.354
131 HB3 ALA 22 HB3 ALA 22 8.181 -7.121 -3.929
132 H GLY 23 H GLY 23 5.123 -6.330 -6.646
133 HA2 GLY 23 HA2 GLY 23 3.204 -5.602 -5.634
134 HA3 GLY 23 HA3 GLY 23 4.096 -4.760 -4.382
135 H CYS 24 H CYS 24 5.749 -3.979 -7.065
136 HA CYS 24 HA CYS 24 4.094 -1.523 -7.730
137 HB2 CYS 24 HB2 CYS 24 7.071 -2.140 -7.718
138 HB3 CYS 24 HB3 CYS 24 6.427 -0.895 -8.763
139 H VAL 25 H VAL 25 4.144 -1.010 -9.969
140 HA VAL 25 HA VAL 25 5.080 -3.135 -11.902
141 HB VAL 25 HB VAL 25 2.938 -2.549 -13.311
142 HG11 VAL 25 HG11 VAL 25 3.228 -4.659 -12.151
143 HG12 VAL 25 HG12 VAL 25 2.498 -3.998 -10.668
144 HG13 VAL 25 HG13 VAL 25 1.548 -4.148 -12.214
145 HG21 VAL 25 HG21 VAL 25 1.841 -1.460 -10.588
146 HG22 VAL 25 HG22 VAL 25 2.283 -0.430 -11.920
147 HG23 VAL 25 HG23 VAL 25 0.952 -1.551 -12.112
148 H CYS 26 H CYS 26 5.064 -2.041 -14.191
149 HA CYS 26 HA CYS 26 6.154 0.708 -13.820
150 HB2 CYS 26 HB2 CYS 26 7.182 -1.019 -15.376
151 HB3 CYS 26 HB3 CYS 26 5.805 -0.839 -16.451
152 H GLY 27 H GLY 27 4.678 2.345 -13.762
153 HA2 GLY 27 HA2 GLY 27 1.924 1.854 -14.380
154 HA3 GLY 27 HA3 GLY 27 2.633 3.359 -13.743
155 HA PRO 28 HA PRO 28 1.697 3.734 -18.337
156 HB2 PRO 28 HB2 PRO 28 -0.334 5.445 -18.369
157 HB3 PRO 28 HB3 PRO 28 -0.607 3.655 -18.103
158 HG2 PRO 28 HG2 PRO 28 -0.504 5.851 -16.056
159 HG3 PRO 28 HG3 PRO 28 -1.718 4.533 -16.255
160 HD2 PRO 28 HD2 PRO 28 0.437 4.479 -14.539
161 HD3 PRO 28 HD3 PRO 28 -0.283 3.005 -15.331
162 H ASN 29 H ASN 29 2.213 5.859 -15.774
163 HA ASN 29 HA ASN 29 2.940 8.258 -17.313
164 HB2 ASN 29 HB2 ASN 29 3.733 9.045 -15.079
165 HB3 ASN 29 HB3 ASN 29 2.138 8.444 -14.955
166 HD21 ASN 29 HD21 ASN 29 3.336 8.586 -12.686
167 HD22 ASN 29 HD22 ASN 29 3.941 7.057 -12.080
168 H GLY 30 H GLY 30 4.356 5.191 -16.677
169 HA2 GLY 30 HA2 GLY 30 6.263 4.421 -17.797
170 HA3 GLY 30 HA3 GLY 30 6.751 6.132 -18.060
171 H PHE 31 H PHE 31 5.713 5.267 -14.966
172 HA PHE 31 HA PHE 31 8.515 5.044 -13.935
173 HB2 PHE 31 HB2 PHE 31 6.201 6.742 -13.002
174 HB3 PHE 31 HB3 PHE 31 7.301 6.192 -11.882
175 HD1 PHE 31 HD1 PHE 31 9.804 6.763 -12.242
176 HD2 PHE 31 HD2 PHE 31 6.641 8.653 -14.439
177 HE1 PHE 31 HE1 PHE 31 11.292 8.739 -12.782
178 HE2 PHE 31 HE2 PHE 31 8.107 10.627 -14.903
179 HZ PHE 31 HZ PHE 31 10.461 10.622 -14.102
180 H CYS 32 H CYS 32 8.765 3.752 -12.103
181 HA CYS 32 HA CYS 32 6.920 1.602 -11.706
182 HB2 CYS 32 HB2 CYS 32 8.996 2.762 -9.885
183 HB3 CYS 32 HB3 CYS 32 8.222 1.208 -9.608
184 H GLY 33 H GLY 33 5.384 1.173 -10.123
185 HA2 GLY 33 HA2 GLY 33 4.995 2.797 -7.804
186 HA3 GLY 33 HA3 GLY 33 3.873 3.360 -9.018
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 0.382 -1.966 -1.898
2 H2 GLY 1 H2 GLY 1 1.589 -2.830 -2.628
3 H3 GLY 1 H3 GLY 1 1.689 -2.450 -1.018
4 HA2 GLY 1 HA2 GLY 1 1.838 -0.662 -3.343
5 HA3 GLY 1 HA3 GLY 1 1.584 -0.040 -1.689
6 H CYS 2 H CYS 2 3.884 0.827 -2.988
7 HA CYS 2 HA CYS 2 5.956 -0.383 -1.239
8 HB2 CYS 2 HB2 CYS 2 7.535 -0.424 -3.269
9 HB3 CYS 2 HB3 CYS 2 6.371 -1.740 -3.071
10 HA PRO 3 HA PRO 3 6.987 3.890 -1.118
11 HB2 PRO 3 HB2 PRO 3 9.653 4.077 -0.601
12 HB3 PRO 3 HB3 PRO 3 8.508 3.294 0.546
13 HG2 PRO 3 HG2 PRO 3 10.189 2.049 -1.592
14 HG3 PRO 3 HG3 PRO 3 10.113 1.722 0.179
15 HD2 PRO 3 HD2 PRO 3 8.751 0.236 -1.683
16 HD3 PRO 3 HD3 PRO 3 8.040 0.618 -0.029
17 H GLN 4 H GLN 4 6.619 3.376 -3.761
18 HA GLN 4 HA GLN 4 8.749 4.946 -5.137
19 HB2 GLN 4 HB2 GLN 4 6.783 2.881 -6.122
20 HB3 GLN 4 HB3 GLN 4 7.715 3.895 -7.233
21 HG2 GLN 4 HG2 GLN 4 9.151 2.121 -5.162
22 HG3 GLN 4 HG3 GLN 4 8.662 1.475 -6.748
23 HE21 GLN 4 HE21 GLN 4 10.948 1.018 -6.900
24 HE22 GLN 4 HE22 GLN 4 11.888 2.311 -7.589
25 H GLY 5 H GLY 5 6.310 5.478 -3.346
26 HA2 GLY 5 HA2 GLY 5 5.527 7.740 -5.072
27 HA3 GLY 5 HA3 GLY 5 4.174 6.592 -4.774
28 H ARG 6 H ARG 6 6.741 7.796 -2.665
29 HA ARG 6 HA ARG 6 4.675 8.725 -0.781
30 HB2 ARG 6 HB2 ARG 6 7.639 8.498 -0.353
31 HB3 ARG 6 HB3 ARG 6 6.416 8.878 0.857
32 HG2 ARG 6 HG2 ARG 6 5.473 6.562 0.208
33 HG3 ARG 6 HG3 ARG 6 7.048 6.246 -0.413
34 HD2 ARG 6 HD2 ARG 6 7.952 7.021 1.851
35 HD3 ARG 6 HD3 ARG 6 6.275 6.994 2.407
36 HE ARG 6 HE ARG 6 8.069 4.757 1.927
37 HH11 ARG 6 HH11 ARG 6 4.710 5.557 2.070
38 HH12 ARG 6 HH12 ARG 6 4.226 3.999 2.523
39 HH21 ARG 6 HH21 ARG 6 7.422 2.748 2.516
40 HH22 ARG 6 HH22 ARG 6 5.720 2.349 2.701
41 H GLY 7 H GLY 7 5.347 10.853 0.312
42 HA2 GLY 7 HA2 GLY 7 5.368 12.865 -1.556
43 HA3 GLY 7 HA3 GLY 7 5.886 13.083 0.154
44 H ASP 8 H ASP 8 8.303 11.811 0.301
45 HA ASP 8 HA ASP 8 9.932 13.297 -1.685
46 HB2 ASP 8 HB2 ASP 8 9.950 13.733 0.806
47 HB3 ASP 8 HB3 ASP 8 10.951 12.288 0.932
48 H TRP 9 H TRP 9 8.808 10.627 -2.245
49 HA TRP 9 HA TRP 9 11.413 9.182 -2.738
50 HB2 TRP 9 HB2 TRP 9 8.706 7.982 -2.007
51 HB3 TRP 9 HB3 TRP 9 9.899 7.131 -2.946
52 HD1 TRP 9 HD1 TRP 9 11.488 5.609 -1.633
53 HE1 TRP 9 HE1 TRP 9 12.391 5.490 0.762
54 HE3 TRP 9 HE3 TRP 9 9.214 9.805 0.268
55 HZ2 TRP 9 HZ2 TRP 9 12.126 6.966 3.161
56 HZ3 TRP 9 HZ3 TRP 9 9.508 10.399 2.616
57 HH2 TRP 9 HH2 TRP 9 11.012 9.009 4.095
58 H ALA 10 H ALA 10 11.621 10.321 -4.543
59 HA ALA 10 HA ALA 10 9.571 10.561 -6.545
60 HB1 ALA 10 HB1 ALA 10 11.478 11.234 -8.067
61 HB2 ALA 10 HB2 ALA 10 11.515 12.127 -6.503
62 HB3 ALA 10 HB3 ALA 10 12.630 10.732 -6.763
63 HA PRO 11 HA PRO 11 9.879 6.379 -7.764
64 HB2 PRO 11 HB2 PRO 11 8.535 6.343 -10.084
65 HB3 PRO 11 HB3 PRO 11 7.724 6.625 -8.526
66 HG2 PRO 11 HG2 PRO 11 8.426 8.673 -10.594
67 HG3 PRO 11 HG3 PRO 11 6.958 8.516 -9.596
68 HD2 PRO 11 HD2 PRO 11 9.005 10.212 -8.908
69 HD3 PRO 11 HD3 PRO 11 7.915 9.406 -7.696
70 H THR 12 H THR 12 10.512 4.827 -9.411
71 HA THR 12 HA THR 12 12.925 5.835 -10.863
72 HB THR 12 HB THR 12 11.835 3.016 -10.374
73 HG1 THR 12 HG1 THR 12 13.850 4.579 -9.090
74 HG21 THR 12 HG21 THR 12 13.344 2.923 -12.308
75 HG22 THR 12 HG22 THR 12 14.240 2.333 -10.862
76 HG23 THR 12 HG23 THR 12 14.505 3.977 -11.500
77 H SER 13 H SER 13 12.922 6.077 -13.112
78 HA SER 13 HA SER 13 10.512 5.692 -14.645
79 HB2 SER 13 HB2 SER 13 12.190 6.194 -16.569
80 HB3 SER 13 HB3 SER 13 11.977 7.479 -15.415
81 HG SER 13 HG SER 13 14.215 6.800 -16.003
82 H CYS 14 H CYS 14 9.963 3.948 -15.878
83 HA CYS 14 HA CYS 14 11.969 1.698 -16.105
84 HB2 CYS 14 HB2 CYS 14 9.987 0.174 -15.465
85 HB3 CYS 14 HB3 CYS 14 10.584 1.253 -14.134
86 H SER 15 H SER 15 11.185 0.011 -17.527
87 HA SER 15 HA SER 15 9.395 1.001 -19.725
88 HB2 SER 15 HB2 SER 15 11.707 -0.957 -20.075
89 HB3 SER 15 HB3 SER 15 10.814 -0.068 -21.288
90 HG SER 15 HG SER 15 12.074 1.683 -20.885
91 H GLN 16 H GLN 16 10.161 -1.394 -17.317
92 HA GLN 16 HA GLN 16 7.792 -2.998 -18.128
93 HB2 GLN 16 HB2 GLN 16 9.009 -5.096 -18.034
94 HB3 GLN 16 HB3 GLN 16 9.677 -4.050 -19.292
95 HG2 GLN 16 HG2 GLN 16 11.506 -3.393 -17.754
96 HG3 GLN 16 HG3 GLN 16 10.839 -4.550 -16.599
97 HE21 GLN 16 HE21 GLN 16 13.246 -5.219 -16.879
98 HE22 GLN 16 HE22 GLN 16 13.567 -6.419 -18.100
99 H ASP 17 H ASP 17 7.116 -4.436 -16.465
100 HA ASP 17 HA ASP 17 7.150 -3.367 -13.817
101 HB2 ASP 17 HB2 ASP 17 6.561 -6.228 -14.753
102 HB3 ASP 17 HB3 ASP 17 6.277 -5.600 -13.093
103 H SER 18 H SER 18 9.281 -5.684 -15.459
104 HA SER 18 HA SER 18 10.391 -6.721 -12.948
105 HB2 SER 18 HB2 SER 18 12.235 -7.081 -15.013
106 HB3 SER 18 HB3 SER 18 11.029 -8.218 -14.434
107 HG SER 18 HG SER 18 10.595 -7.878 -16.599
108 H ASP 19 H ASP 19 10.735 -3.623 -14.367
109 HA ASP 19 HA ASP 19 13.526 -3.266 -13.416
110 HB2 ASP 19 HB2 ASP 19 11.436 -1.239 -14.335
111 HB3 ASP 19 HB3 ASP 19 13.157 -0.898 -13.959
112 H CYS 20 H CYS 20 10.382 -3.518 -12.037
113 HA CYS 20 HA CYS 20 10.965 -1.306 -10.102
114 HB2 CYS 20 HB2 CYS 20 8.389 -2.806 -10.630
115 HB3 CYS 20 HB3 CYS 20 8.576 -1.408 -9.582
116 H LEU 21 H LEU 21 9.779 -1.686 -7.877
117 HA LEU 21 HA LEU 21 11.188 -3.837 -6.559
118 HB2 LEU 21 HB2 LEU 21 9.095 -1.862 -5.712
119 HB3 LEU 21 HB3 LEU 21 9.819 -3.011 -4.604
120 HG LEU 21 HG LEU 21 11.341 -0.907 -6.132
121 HD11 LEU 21 HD11 LEU 21 9.650 0.063 -4.489
122 HD12 LEU 21 HD12 LEU 21 11.324 0.453 -4.096
123 HD13 LEU 21 HD13 LEU 21 10.479 -0.856 -3.195
124 HD21 LEU 21 HD21 LEU 21 12.179 -2.847 -3.944
125 HD22 LEU 21 HD22 LEU 21 13.070 -1.346 -4.228
126 HD23 LEU 21 HD23 LEU 21 12.970 -2.557 -5.524
127 H ALA 22 H ALA 22 10.046 -5.399 -5.137
128 HA ALA 22 HA ALA 22 8.356 -7.011 -6.731
129 HB1 ALA 22 HB1 ALA 22 9.715 -7.975 -5.009
130 HB2 ALA 22 HB2 ALA 22 8.935 -6.988 -3.718
131 HB3 ALA 22 HB3 ALA 22 8.008 -8.276 -4.554
132 H GLY 23 H GLY 23 6.264 -7.013 -7.198
133 HA2 GLY 23 HA2 GLY 23 3.995 -7.013 -6.753
134 HA3 GLY 23 HA3 GLY 23 4.244 -6.262 -5.214
135 H CYS 24 H CYS 24 6.125 -4.501 -7.245
136 HA CYS 24 HA CYS 24 3.955 -2.453 -7.738
137 HB2 CYS 24 HB2 CYS 24 6.921 -2.169 -8.187
138 HB3 CYS 24 HB3 CYS 24 5.768 -0.880 -7.822
139 H VAL 25 H VAL 25 4.063 -1.341 -9.833
140 HA VAL 25 HA VAL 25 4.933 -3.162 -12.073
141 HB VAL 25 HB VAL 25 2.764 -2.380 -13.287
142 HG11 VAL 25 HG11 VAL 25 2.430 -3.972 -10.709
143 HG12 VAL 25 HG12 VAL 25 1.240 -3.899 -12.045
144 HG13 VAL 25 HG13 VAL 25 2.858 -4.590 -12.326
145 HG21 VAL 25 HG21 VAL 25 1.920 -1.329 -10.449
146 HG22 VAL 25 HG22 VAL 25 2.368 -0.280 -11.802
147 HG23 VAL 25 HG23 VAL 25 0.945 -1.275 -11.924
148 H CYS 26 H CYS 26 4.969 -2.011 -14.184
149 HA CYS 26 HA CYS 26 6.094 0.728 -13.818
150 HB2 CYS 26 HB2 CYS 26 7.193 -1.015 -15.327
151 HB3 CYS 26 HB3 CYS 26 5.867 -0.856 -16.438
152 H GLY 27 H GLY 27 4.675 2.386 -13.931
153 HA2 GLY 27 HA2 GLY 27 1.933 1.859 -14.614
154 HA3 GLY 27 HA3 GLY 27 2.572 3.303 -13.833
155 HA PRO 28 HA PRO 28 1.816 4.035 -18.420
156 HB2 PRO 28 HB2 PRO 28 -0.257 5.699 -18.391
157 HB3 PRO 28 HB3 PRO 28 -0.487 3.880 -18.324
158 HG2 PRO 28 HG2 PRO 28 -0.577 5.865 -16.051
159 HG3 PRO 28 HG3 PRO 28 -1.709 4.499 -16.441
160 HD2 PRO 28 HD2 PRO 28 0.406 4.382 -14.634
161 HD3 PRO 28 HD3 PRO 28 -0.226 2.963 -15.561
162 H ASN 29 H ASN 29 2.199 5.894 -15.669
163 HA ASN 29 HA ASN 29 2.842 8.463 -16.868
164 HB2 ASN 29 HB2 ASN 29 3.629 8.989 -14.582
165 HB3 ASN 29 HB3 ASN 29 2.093 8.252 -14.478
166 HD21 ASN 29 HD21 ASN 29 3.573 8.274 -12.270
167 HD22 ASN 29 HD22 ASN 29 4.242 6.685 -11.892
168 H GLY 30 H GLY 30 4.430 5.387 -16.574
169 HA2 GLY 30 HA2 GLY 30 6.310 4.859 -17.872
170 HA3 GLY 30 HA3 GLY 30 6.775 6.582 -17.861
171 H PHE 31 H PHE 31 5.784 5.394 -14.893
172 HA PHE 31 HA PHE 31 8.607 4.976 -13.919
173 HB2 PHE 31 HB2 PHE 31 6.373 6.654 -12.748
174 HB3 PHE 31 HB3 PHE 31 7.641 6.113 -11.847
175 HD1 PHE 31 HD1 PHE 31 9.942 6.955 -12.164
176 HD2 PHE 31 HD2 PHE 31 6.677 8.425 -14.537
177 HE1 PHE 31 HE1 PHE 31 11.306 8.972 -12.842
178 HE2 PHE 31 HE2 PHE 31 8.013 10.452 -15.157
179 HZ PHE 31 HZ PHE 31 10.367 10.685 -14.318
180 H CYS 32 H CYS 32 8.770 3.738 -12.013
181 HA CYS 32 HA CYS 32 6.908 1.554 -11.725
182 HB2 CYS 32 HB2 CYS 32 8.940 2.739 -9.844
183 HB3 CYS 32 HB3 CYS 32 8.128 1.183 -9.545
184 H GLY 33 H GLY 33 5.430 1.102 -10.135
185 HA2 GLY 33 HA2 GLY 33 4.703 2.851 -7.944
186 HA3 GLY 33 HA3 GLY 33 3.664 3.216 -9.292
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 0.255 -1.263 -1.188
2 H2 GLY 1 H2 GLY 1 1.385 -2.455 -1.252
3 H3 GLY 1 H3 GLY 1 1.500 -1.252 -0.123
4 HA2 GLY 1 HA2 GLY 1 1.719 -0.937 -3.047
5 HA3 GLY 1 HA3 GLY 1 1.702 0.420 -1.878
6 H CYS 2 H CYS 2 3.946 0.790 -3.016
7 HA CYS 2 HA CYS 2 5.937 -0.384 -1.142
8 HB2 CYS 2 HB2 CYS 2 7.504 -0.679 -3.111
9 HB3 CYS 2 HB3 CYS 2 6.198 -1.833 -3.005
10 HA PRO 3 HA PRO 3 7.348 3.749 -1.207
11 HB2 PRO 3 HB2 PRO 3 10.007 3.700 -0.709
12 HB3 PRO 3 HB3 PRO 3 8.793 3.146 0.480
13 HG2 PRO 3 HG2 PRO 3 10.350 1.500 -1.557
14 HG3 PRO 3 HG3 PRO 3 10.240 1.298 0.232
15 HD2 PRO 3 HD2 PRO 3 8.699 -0.072 -1.522
16 HD3 PRO 3 HD3 PRO 3 8.072 0.490 0.060
17 H GLN 4 H GLN 4 6.763 3.595 -3.636
18 HA GLN 4 HA GLN 4 9.046 4.749 -5.173
19 HB2 GLN 4 HB2 GLN 4 6.739 3.104 -6.013
20 HB3 GLN 4 HB3 GLN 4 7.669 4.010 -7.185
21 HG2 GLN 4 HG2 GLN 4 8.961 1.939 -5.304
22 HG3 GLN 4 HG3 GLN 4 8.353 1.492 -6.896
23 HE21 GLN 4 HE21 GLN 4 10.788 0.845 -6.594
24 HE22 GLN 4 HE22 GLN 4 11.804 1.965 -7.445
25 H GLY 5 H GLY 5 6.429 5.559 -3.347
26 HA2 GLY 5 HA2 GLY 5 6.107 8.030 -4.945
27 HA3 GLY 5 HA3 GLY 5 4.637 7.039 -4.815
28 H ARG 6 H ARG 6 7.226 8.040 -2.615
29 HA ARG 6 HA ARG 6 5.136 9.034 -0.732
30 HB2 ARG 6 HB2 ARG 6 7.957 8.185 -0.119
31 HB3 ARG 6 HB3 ARG 6 6.787 8.793 1.050
32 HG2 ARG 6 HG2 ARG 6 5.329 6.869 0.531
33 HG3 ARG 6 HG3 ARG 6 6.467 6.228 -0.616
34 HD2 ARG 6 HD2 ARG 6 6.721 5.004 1.426
35 HD3 ARG 6 HD3 ARG 6 8.140 6.108 1.379
36 HE ARG 6 HE ARG 6 7.203 7.272 3.181
37 HH11 ARG 6 HH11 ARG 6 4.966 4.819 2.200
38 HH12 ARG 6 HH12 ARG 6 4.019 5.010 3.641
39 HH21 ARG 6 HH21 ARG 6 5.960 7.461 4.989
40 HH22 ARG 6 HH22 ARG 6 4.524 6.487 5.219
41 H GLY 7 H GLY 7 6.157 10.937 0.608
42 HA2 GLY 7 HA2 GLY 7 6.381 13.085 -1.023
43 HA3 GLY 7 HA3 GLY 7 7.110 13.050 0.605
44 H ASP 8 H ASP 8 9.409 11.629 0.362
45 HA ASP 8 HA ASP 8 10.863 13.080 -1.781
46 HB2 ASP 8 HB2 ASP 8 11.389 13.275 0.663
47 HB3 ASP 8 HB3 ASP 8 12.096 11.655 0.576
48 H TRP 9 H TRP 9 9.375 10.216 -1.651
49 HA TRP 9 HA TRP 9 11.613 8.671 -2.914
50 HB2 TRP 9 HB2 TRP 9 8.912 7.722 -1.849
51 HB3 TRP 9 HB3 TRP 9 9.913 6.824 -2.942
52 HD1 TRP 9 HD1 TRP 9 11.563 5.194 -1.878
53 HE1 TRP 9 HE1 TRP 9 12.644 4.914 0.444
54 HE3 TRP 9 HE3 TRP 9 9.717 9.426 0.376
55 HZ2 TRP 9 HZ2 TRP 9 12.681 6.301 2.863
56 HZ3 TRP 9 HZ3 TRP 9 10.303 9.914 2.690
57 HH2 TRP 9 HH2 TRP 9 11.864 8.376 3.970
58 H ALA 10 H ALA 10 11.574 10.084 -4.618
59 HA ALA 10 HA ALA 10 9.309 10.411 -6.399
60 HB1 ALA 10 HB1 ALA 10 11.238 11.960 -6.519
61 HB2 ALA 10 HB2 ALA 10 12.335 10.608 -6.860
62 HB3 ALA 10 HB3 ALA 10 11.128 11.070 -8.060
63 HA PRO 11 HA PRO 11 9.500 6.237 -7.789
64 HB2 PRO 11 HB2 PRO 11 8.392 6.322 -10.231
65 HB3 PRO 11 HB3 PRO 11 7.430 6.579 -8.752
66 HG2 PRO 11 HG2 PRO 11 8.349 8.711 -10.696
67 HG3 PRO 11 HG3 PRO 11 6.842 8.580 -9.810
68 HD2 PRO 11 HD2 PRO 11 8.886 10.167 -8.950
69 HD3 PRO 11 HD3 PRO 11 7.676 9.424 -7.835
70 H THR 12 H THR 12 10.260 4.741 -9.373
71 HA THR 12 HA THR 12 12.789 5.702 -10.588
72 HB THR 12 HB THR 12 11.695 2.876 -10.346
73 HG1 THR 12 HG1 THR 12 12.117 4.250 -8.364
74 HG21 THR 12 HG21 THR 12 13.570 2.979 -11.948
75 HG22 THR 12 HG22 THR 12 14.152 2.278 -10.414
76 HG23 THR 12 HG23 THR 12 14.523 3.960 -10.819
77 H SER 13 H SER 13 12.970 6.009 -12.859
78 HA SER 13 HA SER 13 10.639 5.735 -14.540
79 HB2 SER 13 HB2 SER 13 12.511 6.129 -16.325
80 HB3 SER 13 HB3 SER 13 12.253 7.429 -15.199
81 HG SER 13 HG SER 13 14.493 6.819 -15.511
82 H CYS 14 H CYS 14 10.081 4.057 -15.853
83 HA CYS 14 HA CYS 14 11.973 1.738 -16.088
84 HB2 CYS 14 HB2 CYS 14 9.994 0.208 -15.424
85 HB3 CYS 14 HB3 CYS 14 10.514 1.333 -14.101
86 H SER 15 H SER 15 11.028 0.047 -17.488
87 HA SER 15 HA SER 15 9.128 1.114 -19.587
88 HB2 SER 15 HB2 SER 15 11.497 -0.752 -20.214
89 HB3 SER 15 HB3 SER 15 10.486 0.103 -21.339
90 HG SER 15 HG SER 15 12.139 1.413 -19.425
91 H GLN 16 H GLN 16 10.011 -1.308 -17.317
92 HA GLN 16 HA GLN 16 7.672 -3.001 -18.098
93 HB2 GLN 16 HB2 GLN 16 8.967 -5.060 -18.138
94 HB3 GLN 16 HB3 GLN 16 9.658 -3.955 -19.346
95 HG2 GLN 16 HG2 GLN 16 11.396 -3.382 -17.669
96 HG3 GLN 16 HG3 GLN 16 10.722 -4.639 -16.639
97 HE21 GLN 16 HE21 GLN 16 13.386 -4.597 -17.400
98 HE22 GLN 16 HE22 GLN 16 13.719 -5.933 -18.503
99 H ASP 17 H ASP 17 7.102 -4.469 -16.433
100 HA ASP 17 HA ASP 17 7.230 -3.392 -13.791
101 HB2 ASP 17 HB2 ASP 17 6.618 -6.261 -14.712
102 HB3 ASP 17 HB3 ASP 17 6.408 -5.655 -13.055
103 H SER 18 H SER 18 9.329 -5.742 -15.402
104 HA SER 18 HA SER 18 10.422 -6.810 -12.911
105 HB2 SER 18 HB2 SER 18 12.351 -6.889 -14.987
106 HB3 SER 18 HB3 SER 18 11.293 -8.164 -14.375
107 HG SER 18 HG SER 18 10.881 -7.781 -16.594
108 H ASP 19 H ASP 19 10.855 -3.728 -14.484
109 HA ASP 19 HA ASP 19 13.545 -3.199 -13.425
110 HB2 ASP 19 HB2 ASP 19 11.357 -1.222 -14.215
111 HB3 ASP 19 HB3 ASP 19 13.086 -0.881 -13.958
112 H CYS 20 H CYS 20 10.287 -3.345 -12.095
113 HA CYS 20 HA CYS 20 10.902 -1.210 -10.129
114 HB2 CYS 20 HB2 CYS 20 8.352 -2.773 -10.524
115 HB3 CYS 20 HB3 CYS 20 8.507 -1.327 -9.571
116 H LEU 21 H LEU 21 9.692 -1.689 -7.858
117 HA LEU 21 HA LEU 21 11.264 -3.811 -6.633
118 HB2 LEU 21 HB2 LEU 21 9.270 -1.842 -5.613
119 HB3 LEU 21 HB3 LEU 21 10.029 -3.006 -4.587
120 HG LEU 21 HG LEU 21 11.546 -0.948 -6.227
121 HD11 LEU 21 HD11 LEU 21 11.699 0.425 -4.201
122 HD12 LEU 21 HD12 LEU 21 10.794 -0.797 -3.270
123 HD13 LEU 21 HD13 LEU 21 9.990 0.101 -4.512
124 HD21 LEU 21 HD21 LEU 21 12.399 -2.830 -3.996
125 HD22 LEU 21 HD22 LEU 21 13.316 -1.378 -4.356
126 HD23 LEU 21 HD23 LEU 21 13.115 -2.633 -5.608
127 H ALA 22 H ALA 22 10.085 -5.320 -5.044
128 HA ALA 22 HA ALA 22 8.454 -6.972 -6.619
129 HB1 ALA 22 HB1 ALA 22 8.191 -8.332 -4.585
130 HB2 ALA 22 HB2 ALA 22 9.891 -7.739 -4.782
131 HB3 ALA 22 HB3 ALA 22 8.777 -6.954 -3.614
132 H GLY 23 H GLY 23 6.374 -6.992 -7.202
133 HA2 GLY 23 HA2 GLY 23 4.138 -7.001 -6.827
134 HA3 GLY 23 HA3 GLY 23 4.300 -6.312 -5.250
135 H CYS 24 H CYS 24 6.175 -4.426 -7.181
136 HA CYS 24 HA CYS 24 3.979 -2.405 -7.653
137 HB2 CYS 24 HB2 CYS 24 6.921 -2.090 -8.171
138 HB3 CYS 24 HB3 CYS 24 5.764 -0.815 -7.753
139 H VAL 25 H VAL 25 4.049 -1.352 -9.798
140 HA VAL 25 HA VAL 25 5.006 -3.223 -11.993
141 HB VAL 25 HB VAL 25 2.840 -2.572 -13.229
142 HG11 VAL 25 HG11 VAL 25 3.095 -4.696 -12.025
143 HG12 VAL 25 HG12 VAL 25 2.343 -3.947 -10.580
144 HG13 VAL 25 HG13 VAL 25 1.432 -4.094 -12.118
145 HG21 VAL 25 HG21 VAL 25 2.278 -0.442 -11.962
146 HG22 VAL 25 HG22 VAL 25 0.942 -1.544 -11.927
147 HG23 VAL 25 HG23 VAL 25 1.985 -1.385 -10.498
148 H CYS 26 H CYS 26 4.968 -2.046 -14.199
149 HA CYS 26 HA CYS 26 6.089 0.693 -13.775
150 HB2 CYS 26 HB2 CYS 26 7.220 -1.048 -15.265
151 HB3 CYS 26 HB3 CYS 26 5.894 -0.911 -16.392
152 H GLY 27 H GLY 27 4.662 2.312 -13.837
153 HA2 GLY 27 HA2 GLY 27 1.945 1.837 -14.631
154 HA3 GLY 27 HA3 GLY 27 2.573 3.267 -13.844
155 HA PRO 28 HA PRO 28 1.830 3.907 -18.491
156 HB2 PRO 28 HB2 PRO 28 -0.216 5.593 -18.528
157 HB3 PRO 28 HB3 PRO 28 -0.442 3.787 -18.379
158 HG2 PRO 28 HG2 PRO 28 -0.477 5.861 -16.224
159 HG3 PRO 28 HG3 PRO 28 -1.663 4.532 -16.547
160 HD2 PRO 28 HD2 PRO 28 0.412 4.395 -14.730
161 HD3 PRO 28 HD3 PRO 28 -0.220 2.951 -15.638
162 H ASN 29 H ASN 29 2.289 5.876 -15.820
163 HA ASN 29 HA ASN 29 2.906 8.404 -17.146
164 HB2 ASN 29 HB2 ASN 29 3.610 9.087 -14.915
165 HB3 ASN 29 HB3 ASN 29 2.075 8.307 -14.763
166 HD21 ASN 29 HD21 ASN 29 3.619 8.598 -12.605
167 HD22 ASN 29 HD22 ASN 29 4.248 7.065 -12.072
168 H GLY 30 H GLY 30 4.478 5.400 -16.791
169 HA2 GLY 30 HA2 GLY 30 6.415 4.871 -18.014
170 HA3 GLY 30 HA3 GLY 30 6.868 6.595 -17.988
171 H PHE 31 H PHE 31 5.784 5.411 -15.075
172 HA PHE 31 HA PHE 31 8.573 4.993 -14.039
173 HB2 PHE 31 HB2 PHE 31 6.310 6.680 -12.940
174 HB3 PHE 31 HB3 PHE 31 7.486 6.148 -11.956
175 HD1 PHE 31 HD1 PHE 31 9.884 6.871 -12.253
176 HD2 PHE 31 HD2 PHE 31 6.676 8.478 -14.595
177 HE1 PHE 31 HE1 PHE 31 11.310 8.854 -12.875
178 HE2 PHE 31 HE2 PHE 31 8.028 10.475 -15.137
179 HZ PHE 31 HZ PHE 31 10.390 10.645 -14.312
180 H CYS 32 H CYS 32 8.738 3.757 -12.154
181 HA CYS 32 HA CYS 32 6.871 1.582 -11.837
182 HB2 CYS 32 HB2 CYS 32 8.986 2.671 -10.025
183 HB3 CYS 32 HB3 CYS 32 8.129 1.168 -9.686
184 H GLY 33 H GLY 33 5.384 1.110 -10.277
185 HA2 GLY 33 HA2 GLY 33 4.679 2.674 -7.997
186 HA3 GLY 33 HA3 GLY 33 3.749 3.296 -9.345
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 0.685 -1.501 -1.651
2 H2 GLY 1 H2 GLY 1 -0.184 -1.199 -2.972
3 H3 GLY 1 H3 GLY 1 1.123 -2.227 -3.052
4 HA2 GLY 1 HA2 GLY 1 1.589 -0.130 -4.055
5 HA3 GLY 1 HA3 GLY 1 1.304 0.615 -2.446
6 H CYS 2 H CYS 2 3.842 0.953 -3.618
7 HA CYS 2 HA CYS 2 5.532 -0.562 -1.686
8 HB2 CYS 2 HB2 CYS 2 7.087 -0.658 -3.906
9 HB3 CYS 2 HB3 CYS 2 5.956 -1.972 -3.453
10 HA PRO 3 HA PRO 3 7.305 3.464 -1.435
11 HB2 PRO 3 HB2 PRO 3 9.940 3.188 -0.899
12 HB3 PRO 3 HB3 PRO 3 8.667 2.612 0.200
13 HG2 PRO 3 HG2 PRO 3 10.216 1.117 -1.913
14 HG3 PRO 3 HG3 PRO 3 10.001 0.731 -0.153
15 HD2 PRO 3 HD2 PRO 3 8.501 -0.401 -2.165
16 HD3 PRO 3 HD3 PRO 3 7.822 -0.032 -0.515
17 H GLN 4 H GLN 4 6.808 3.211 -4.008
18 HA GLN 4 HA GLN 4 8.994 4.679 -5.361
19 HB2 GLN 4 HB2 GLN 4 7.115 2.552 -6.341
20 HB3 GLN 4 HB3 GLN 4 7.979 3.617 -7.462
21 HG2 GLN 4 HG2 GLN 4 9.500 1.855 -5.463
22 HG3 GLN 4 HG3 GLN 4 9.108 1.285 -7.074
23 HE21 GLN 4 HE21 GLN 4 11.590 1.222 -6.411
24 HE22 GLN 4 HE22 GLN 4 12.427 2.444 -7.327
25 H GLY 5 H GLY 5 6.467 5.126 -3.603
26 HA2 GLY 5 HA2 GLY 5 5.587 7.378 -5.261
27 HA3 GLY 5 HA3 GLY 5 4.326 6.118 -5.173
28 H ARG 6 H ARG 6 6.685 7.603 -2.974
29 HA ARG 6 HA ARG 6 4.450 8.203 -1.100
30 HB2 ARG 6 HB2 ARG 6 7.254 7.489 -0.250
31 HB3 ARG 6 HB3 ARG 6 5.880 7.818 0.786
32 HG2 ARG 6 HG2 ARG 6 6.109 5.434 -1.127
33 HG3 ARG 6 HG3 ARG 6 6.392 5.441 0.625
34 HD2 ARG 6 HD2 ARG 6 3.943 6.230 0.804
35 HD3 ARG 6 HD3 ARG 6 3.776 5.913 -0.941
36 HE ARG 6 HE ARG 6 4.896 3.606 0.250
37 HH11 ARG 6 HH11 ARG 6 1.831 5.220 0.164
38 HH12 ARG 6 HH12 ARG 6 0.943 3.815 0.479
39 HH21 ARG 6 HH21 ARG 6 3.720 1.785 0.651
40 HH22 ARG 6 HH22 ARG 6 1.974 1.835 0.698
41 H GLY 7 H GLY 7 5.772 9.795 0.723
42 HA2 GLY 7 HA2 GLY 7 5.910 12.211 -0.674
43 HA3 GLY 7 HA3 GLY 7 6.448 12.000 1.015
44 H ASP 8 H ASP 8 8.753 10.652 0.954
45 HA ASP 8 HA ASP 8 10.448 12.197 -0.923
46 HB2 ASP 8 HB2 ASP 8 10.594 12.342 1.612
47 HB3 ASP 8 HB3 ASP 8 11.397 10.761 1.555
48 H TRP 9 H TRP 9 8.999 9.717 -1.679
49 HA TRP 9 HA TRP 9 11.373 8.149 -2.601
50 HB2 TRP 9 HB2 TRP 9 8.759 6.971 -1.528
51 HB3 TRP 9 HB3 TRP 9 9.774 6.176 -2.692
52 HD1 TRP 9 HD1 TRP 9 11.691 4.706 -1.829
53 HE1 TRP 9 HE1 TRP 9 12.884 4.397 0.430
54 HE3 TRP 9 HE3 TRP 9 9.408 8.482 0.764
55 HZ2 TRP 9 HZ2 TRP 9 12.874 5.659 2.978
56 HZ3 TRP 9 HZ3 TRP 9 10.015 8.915 3.109
57 HH2 TRP 9 HH2 TRP 9 11.811 7.536 4.228
58 H ALA 10 H ALA 10 11.286 9.543 -4.218
59 HA ALA 10 HA ALA 10 9.025 9.962 -5.947
60 HB1 ALA 10 HB1 ALA 10 10.783 10.820 -7.554
61 HB2 ALA 10 HB2 ALA 10 10.913 11.568 -5.917
62 HB3 ALA 10 HB3 ALA 10 12.037 10.246 -6.412
63 HA PRO 11 HA PRO 11 9.269 6.060 -7.879
64 HB2 PRO 11 HB2 PRO 11 8.243 6.444 -10.311
65 HB3 PRO 11 HB3 PRO 11 7.248 6.578 -8.853
66 HG2 PRO 11 HG2 PRO 11 8.363 8.824 -10.511
67 HG3 PRO 11 HG3 PRO 11 6.768 8.665 -9.762
68 HD2 PRO 11 HD2 PRO 11 8.769 10.098 -8.583
69 HD3 PRO 11 HD3 PRO 11 7.486 9.220 -7.659
70 H THR 12 H THR 12 10.097 4.759 -9.707
71 HA THR 12 HA THR 12 12.588 6.008 -10.801
72 HB THR 12 HB THR 12 11.854 3.067 -10.475
73 HG1 THR 12 HG1 THR 12 12.161 4.490 -8.538
74 HG21 THR 12 HG21 THR 12 14.296 2.698 -10.665
75 HG22 THR 12 HG22 THR 12 14.524 4.408 -11.122
76 HG23 THR 12 HG23 THR 12 13.574 3.313 -12.196
77 H SER 13 H SER 13 12.797 6.243 -13.047
78 HA SER 13 HA SER 13 10.526 5.791 -14.746
79 HB2 SER 13 HB2 SER 13 12.121 6.376 -16.568
80 HB3 SER 13 HB3 SER 13 12.261 7.516 -15.267
81 HG SER 13 HG SER 13 13.922 5.237 -15.258
82 H CYS 14 H CYS 14 10.029 4.011 -15.934
83 HA CYS 14 HA CYS 14 12.030 1.717 -16.056
84 HB2 CYS 14 HB2 CYS 14 10.033 0.229 -15.471
85 HB3 CYS 14 HB3 CYS 14 10.614 1.316 -14.150
86 H SER 15 H SER 15 11.051 -0.047 -17.387
87 HA SER 15 HA SER 15 9.399 0.976 -19.693
88 HB2 SER 15 HB2 SER 15 11.721 -1.007 -20.009
89 HB3 SER 15 HB3 SER 15 10.879 -0.066 -21.235
90 HG SER 15 HG SER 15 12.493 1.041 -19.167
91 H GLN 16 H GLN 16 10.014 -1.418 -17.269
92 HA GLN 16 HA GLN 16 7.661 -3.020 -18.137
93 HB2 GLN 16 HB2 GLN 16 8.886 -5.114 -18.065
94 HB3 GLN 16 HB3 GLN 16 9.582 -4.094 -19.325
95 HG2 GLN 16 HG2 GLN 16 11.362 -3.472 -17.745
96 HG3 GLN 16 HG3 GLN 16 10.656 -4.601 -16.597
97 HE21 GLN 16 HE21 GLN 16 13.259 -4.924 -17.147
98 HE22 GLN 16 HE22 GLN 16 13.520 -6.331 -18.195
99 H ASP 17 H ASP 17 7.048 -4.480 -16.399
100 HA ASP 17 HA ASP 17 7.167 -3.314 -13.806
101 HB2 ASP 17 HB2 ASP 17 6.526 -6.201 -14.607
102 HB3 ASP 17 HB3 ASP 17 6.257 -5.490 -12.996
103 H SER 18 H SER 18 9.238 -5.817 -15.296
104 HA SER 18 HA SER 18 10.255 -6.749 -12.704
105 HB2 SER 18 HB2 SER 18 12.212 -7.371 -14.480
106 HB3 SER 18 HB3 SER 18 10.717 -8.305 -14.267
107 HG SER 18 HG SER 18 11.033 -7.771 -16.446
108 H ASP 19 H ASP 19 10.822 -3.816 -14.421
109 HA ASP 19 HA ASP 19 13.547 -3.375 -13.465
110 HB2 ASP 19 HB2 ASP 19 11.440 -1.352 -14.242
111 HB3 ASP 19 HB3 ASP 19 13.178 -1.037 -14.053
112 H CYS 20 H CYS 20 10.392 -3.470 -12.078
113 HA CYS 20 HA CYS 20 11.075 -1.322 -10.145
114 HB2 CYS 20 HB2 CYS 20 8.433 -2.731 -10.570
115 HB3 CYS 20 HB3 CYS 20 8.680 -1.306 -9.610
116 H LEU 21 H LEU 21 9.821 -1.693 -7.914
117 HA LEU 21 HA LEU 21 11.230 -3.878 -6.670
118 HB2 LEU 21 HB2 LEU 21 9.199 -1.968 -5.576
119 HB3 LEU 21 HB3 LEU 21 10.224 -3.009 -4.595
120 HG LEU 21 HG LEU 21 11.178 -0.751 -6.416
121 HD11 LEU 21 HD11 LEU 21 10.883 -0.890 -3.357
122 HD12 LEU 21 HD12 LEU 21 9.948 0.106 -4.470
123 HD13 LEU 21 HD13 LEU 21 11.685 0.415 -4.253
124 HD21 LEU 21 HD21 LEU 21 12.726 -2.671 -4.622
125 HD22 LEU 21 HD22 LEU 21 13.343 -1.034 -4.967
126 HD23 LEU 21 HD23 LEU 21 13.094 -2.161 -6.294
127 H ALA 22 H ALA 22 10.063 -5.241 -5.014
128 HA ALA 22 HA ALA 22 8.168 -6.863 -6.318
129 HB1 ALA 22 HB1 ALA 22 9.479 -7.670 -4.466
130 HB2 ALA 22 HB2 ALA 22 8.771 -6.481 -3.341
131 HB3 ALA 22 HB3 ALA 22 7.770 -7.805 -4.020
132 H GLY 23 H GLY 23 6.020 -6.518 -6.833
133 HA2 GLY 23 HA2 GLY 23 3.809 -6.200 -6.282
134 HA3 GLY 23 HA3 GLY 23 4.231 -5.323 -4.820
135 H CYS 24 H CYS 24 6.255 -3.966 -7.026
136 HA CYS 24 HA CYS 24 4.345 -1.758 -7.728
137 HB2 CYS 24 HB2 CYS 24 7.327 -2.193 -7.802
138 HB3 CYS 24 HB3 CYS 24 6.629 -0.994 -8.868
139 H VAL 25 H VAL 25 4.197 -1.077 -9.893
140 HA VAL 25 HA VAL 25 4.943 -3.111 -12.016
141 HB VAL 25 HB VAL 25 2.730 -2.379 -13.192
142 HG11 VAL 25 HG11 VAL 25 2.514 -3.875 -10.550
143 HG12 VAL 25 HG12 VAL 25 1.260 -3.799 -11.825
144 HG13 VAL 25 HG13 VAL 25 2.841 -4.528 -12.182
145 HG21 VAL 25 HG21 VAL 25 2.317 -0.250 -11.815
146 HG22 VAL 25 HG22 VAL 25 0.931 -1.300 -11.802
147 HG23 VAL 25 HG23 VAL 25 1.986 -1.236 -10.362
148 H CYS 26 H CYS 26 5.019 -1.956 -14.182
149 HA CYS 26 HA CYS 26 6.135 0.781 -13.796
150 HB2 CYS 26 HB2 CYS 26 7.248 -0.957 -15.271
151 HB3 CYS 26 HB3 CYS 26 5.923 -0.833 -16.402
152 H GLY 27 H GLY 27 4.659 2.381 -13.835
153 HA2 GLY 27 HA2 GLY 27 1.952 1.826 -14.572
154 HA3 GLY 27 HA3 GLY 27 2.565 3.282 -13.818
155 HA PRO 28 HA PRO 28 1.630 3.989 -18.410
156 HB2 PRO 28 HB2 PRO 28 -0.378 5.735 -18.259
157 HB3 PRO 28 HB3 PRO 28 -0.666 3.913 -18.144
158 HG2 PRO 28 HG2 PRO 28 -0.522 5.920 -15.908
159 HG3 PRO 28 HG3 PRO 28 -1.740 4.603 -16.182
160 HD2 PRO 28 HD2 PRO 28 0.482 4.421 -14.541
161 HD3 PRO 28 HD3 PRO 28 -0.273 3.005 -15.404
162 H ASN 29 H ASN 29 2.209 5.850 -15.702
163 HA ASN 29 HA ASN 29 2.957 8.368 -16.959
164 HB2 ASN 29 HB2 ASN 29 3.868 8.827 -14.672
165 HB3 ASN 29 HB3 ASN 29 2.225 8.268 -14.582
166 HD21 ASN 29 HD21 ASN 29 3.439 8.068 -12.319
167 HD22 ASN 29 HD22 ASN 29 3.917 6.409 -11.936
168 H GLY 30 H GLY 30 4.350 5.240 -16.797
169 HA2 GLY 30 HA2 GLY 30 6.283 4.533 -17.878
170 HA3 GLY 30 HA3 GLY 30 6.774 6.248 -18.085
171 H PHE 31 H PHE 31 5.731 5.105 -15.049
172 HA PHE 31 HA PHE 31 8.552 5.040 -13.960
173 HB2 PHE 31 HB2 PHE 31 6.226 6.758 -13.226
174 HB3 PHE 31 HB3 PHE 31 7.207 6.237 -12.004
175 HD1 PHE 31 HD1 PHE 31 9.697 6.823 -12.075
176 HD2 PHE 31 HD2 PHE 31 6.824 8.550 -14.746
177 HE1 PHE 31 HE1 PHE 31 11.277 8.760 -12.587
178 HE2 PHE 31 HE2 PHE 31 8.350 10.474 -15.189
179 HZ PHE 31 HZ PHE 31 10.612 10.535 -14.121
180 H CYS 32 H CYS 32 8.780 3.763 -12.189
181 HA CYS 32 HA CYS 32 6.962 1.578 -11.724
182 HB2 CYS 32 HB2 CYS 32 9.099 2.749 -9.979
183 HB3 CYS 32 HB3 CYS 32 8.298 1.229 -9.633
184 H GLY 33 H GLY 33 5.491 1.156 -10.068
185 HA2 GLY 33 HA2 GLY 33 5.114 2.778 -7.755
186 HA3 GLY 33 HA3 GLY 33 3.992 3.352 -8.957
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 1.283 -2.110 -1.611
2 H2 GLY 1 H2 GLY 1 0.961 -0.837 -0.628
3 H3 GLY 1 H3 GLY 1 -0.002 -1.146 -1.959
4 HA2 GLY 1 HA2 GLY 1 1.649 -0.521 -3.440
5 HA3 GLY 1 HA3 GLY 1 1.553 0.747 -2.164
6 H CYS 2 H CYS 2 3.940 0.881 -3.353
7 HA CYS 2 HA CYS 2 5.764 -0.337 -1.301
8 HB2 CYS 2 HB2 CYS 2 7.377 -0.535 -3.381
9 HB3 CYS 2 HB3 CYS 2 6.204 -1.797 -3.082
10 HA PRO 3 HA PRO 3 7.206 3.816 -1.358
11 HB2 PRO 3 HB2 PRO 3 9.853 3.786 -0.738
12 HB3 PRO 3 HB3 PRO 3 8.569 3.225 0.408
13 HG2 PRO 3 HG2 PRO 3 10.265 1.579 -1.537
14 HG3 PRO 3 HG3 PRO 3 10.048 1.365 0.234
15 HD2 PRO 3 HD2 PRO 3 8.610 -0.044 -1.637
16 HD3 PRO 3 HD3 PRO 3 7.885 0.510 -0.050
17 H GLN 4 H GLN 4 6.753 3.448 -3.833
18 HA GLN 4 HA GLN 4 9.003 4.767 -5.265
19 HB2 GLN 4 HB2 GLN 4 6.866 2.858 -6.197
20 HB3 GLN 4 HB3 GLN 4 7.826 3.802 -7.327
21 HG2 GLN 4 HG2 GLN 4 9.131 1.857 -5.334
22 HG3 GLN 4 HG3 GLN 4 8.653 1.355 -6.973
23 HE21 GLN 4 HE21 GLN 4 11.136 0.908 -6.439
24 HE22 GLN 4 HE22 GLN 4 12.108 2.070 -7.234
25 H GLY 5 H GLY 5 6.669 5.427 -3.388
26 HA2 GLY 5 HA2 GLY 5 5.742 7.677 -4.984
27 HA3 GLY 5 HA3 GLY 5 4.429 6.458 -4.718
28 H ARG 6 H ARG 6 7.089 7.948 -2.894
29 HA ARG 6 HA ARG 6 5.130 8.727 -0.817
30 HB2 ARG 6 HB2 ARG 6 7.819 7.449 -0.318
31 HB3 ARG 6 HB3 ARG 6 6.811 8.165 0.932
32 HG2 ARG 6 HG2 ARG 6 5.946 5.767 -0.832
33 HG3 ARG 6 HG3 ARG 6 6.761 5.645 0.736
34 HD2 ARG 6 HD2 ARG 6 4.113 7.052 0.161
35 HD3 ARG 6 HD3 ARG 6 4.321 5.431 0.919
36 HE ARG 6 HE ARG 6 4.669 8.005 2.237
37 HH11 ARG 6 HH11 ARG 6 5.310 4.494 2.473
38 HH12 ARG 6 HH12 ARG 6 5.567 4.619 4.224
39 HH21 ARG 6 HH21 ARG 6 5.049 8.028 4.371
40 HH22 ARG 6 HH22 ARG 6 5.410 6.577 5.266
41 H GLY 7 H GLY 7 6.078 10.501 0.586
42 HA2 GLY 7 HA2 GLY 7 6.590 12.652 -0.979
43 HA3 GLY 7 HA3 GLY 7 7.012 12.579 0.734
44 H ASP 8 H ASP 8 9.276 10.992 0.773
45 HA ASP 8 HA ASP 8 11.143 12.503 -0.955
46 HB2 ASP 8 HB2 ASP 8 11.507 10.865 1.572
47 HB3 ASP 8 HB3 ASP 8 12.845 11.520 0.695
48 H TRP 9 H TRP 9 9.444 9.973 -1.726
49 HA TRP 9 HA TRP 9 11.750 8.469 -2.888
50 HB2 TRP 9 HB2 TRP 9 9.097 7.302 -1.892
51 HB3 TRP 9 HB3 TRP 9 10.243 6.496 -2.939
52 HD1 TRP 9 HD1 TRP 9 12.042 5.073 -1.818
53 HE1 TRP 9 HE1 TRP 9 12.961 4.785 0.581
54 HE3 TRP 9 HE3 TRP 9 9.460 8.853 0.429
55 HZ2 TRP 9 HZ2 TRP 9 12.600 6.046 3.089
56 HZ3 TRP 9 HZ3 TRP 9 9.728 9.286 2.817
57 HH2 TRP 9 HH2 TRP 9 11.361 7.914 4.187
58 H ALA 10 H ALA 10 11.517 9.975 -4.530
59 HA ALA 10 HA ALA 10 9.121 10.262 -6.133
60 HB1 ALA 10 HB1 ALA 10 12.007 10.586 -7.099
61 HB2 ALA 10 HB2 ALA 10 10.550 11.414 -7.684
62 HB3 ALA 10 HB3 ALA 10 11.228 11.821 -6.096
63 HA PRO 11 HA PRO 11 9.463 6.245 -7.818
64 HB2 PRO 11 HB2 PRO 11 8.353 6.404 -10.268
65 HB3 PRO 11 HB3 PRO 11 7.395 6.589 -8.789
66 HG2 PRO 11 HG2 PRO 11 8.340 8.772 -10.606
67 HG3 PRO 11 HG3 PRO 11 6.782 8.602 -9.756
68 HD2 PRO 11 HD2 PRO 11 8.780 10.177 -8.819
69 HD3 PRO 11 HD3 PRO 11 7.567 9.344 -7.748
70 H THR 12 H THR 12 10.185 4.778 -9.541
71 HA THR 12 HA THR 12 12.732 5.820 -10.710
72 HB THR 12 HB THR 12 11.732 2.981 -10.414
73 HG1 THR 12 HG1 THR 12 12.069 4.227 -8.397
74 HG21 THR 12 HG21 THR 12 13.487 3.059 -12.065
75 HG22 THR 12 HG22 THR 12 14.174 2.430 -10.542
76 HG23 THR 12 HG23 THR 12 14.470 4.107 -11.022
77 H SER 13 H SER 13 12.919 6.078 -12.992
78 HA SER 13 HA SER 13 10.587 5.682 -14.634
79 HB2 SER 13 HB2 SER 13 12.266 6.180 -16.504
80 HB3 SER 13 HB3 SER 13 12.241 7.429 -15.243
81 HG SER 13 HG SER 13 14.056 5.207 -15.201
82 H CYS 14 H CYS 14 10.052 3.996 -15.940
83 HA CYS 14 HA CYS 14 11.959 1.680 -16.113
84 HB2 CYS 14 HB2 CYS 14 9.930 0.213 -15.478
85 HB3 CYS 14 HB3 CYS 14 10.494 1.324 -14.171
86 H SER 15 H SER 15 11.108 -0.019 -17.547
87 HA SER 15 HA SER 15 9.308 0.974 -19.748
88 HB2 SER 15 HB2 SER 15 11.711 -0.902 -20.079
89 HB3 SER 15 HB3 SER 15 10.750 -0.223 -21.364
90 HG SER 15 HG SER 15 12.236 1.373 -19.545
91 H GLN 16 H GLN 16 10.089 -1.367 -17.365
92 HA GLN 16 HA GLN 16 7.789 -3.072 -18.177
93 HB2 GLN 16 HB2 GLN 16 9.024 -5.120 -18.104
94 HB3 GLN 16 HB3 GLN 16 9.795 -4.068 -19.300
95 HG2 GLN 16 HG2 GLN 16 11.515 -3.499 -17.561
96 HG3 GLN 16 HG3 GLN 16 10.746 -4.697 -16.546
97 HE21 GLN 16 HE21 GLN 16 13.257 -4.170 -18.602
98 HE22 GLN 16 HE22 GLN 16 13.603 -5.818 -19.131
99 H ASP 17 H ASP 17 7.168 -4.551 -16.442
100 HA ASP 17 HA ASP 17 7.218 -3.307 -13.871
101 HB2 ASP 17 HB2 ASP 17 6.553 -6.181 -14.628
102 HB3 ASP 17 HB3 ASP 17 6.239 -5.418 -13.048
103 H SER 18 H SER 18 9.377 -5.660 -15.365
104 HA SER 18 HA SER 18 10.386 -6.730 -12.846
105 HB2 SER 18 HB2 SER 18 10.758 -7.870 -15.049
106 HB3 SER 18 HB3 SER 18 11.812 -6.516 -15.551
107 HG SER 18 HG SER 18 12.885 -8.491 -14.661
108 H ASP 19 H ASP 19 10.897 -3.626 -14.441
109 HA ASP 19 HA ASP 19 13.495 -3.063 -13.281
110 HB2 ASP 19 HB2 ASP 19 11.304 -1.150 -14.137
111 HB3 ASP 19 HB3 ASP 19 13.004 -0.734 -13.846
112 H CYS 20 H CYS 20 10.287 -3.299 -12.011
113 HA CYS 20 HA CYS 20 10.837 -1.184 -10.006
114 HB2 CYS 20 HB2 CYS 20 8.293 -2.768 -10.512
115 HB3 CYS 20 HB3 CYS 20 8.436 -1.309 -9.527
116 H LEU 21 H LEU 21 9.699 -1.695 -7.751
117 HA LEU 21 HA LEU 21 11.221 -3.836 -6.600
118 HB2 LEU 21 HB2 LEU 21 9.023 -2.147 -5.497
119 HB3 LEU 21 HB3 LEU 21 10.020 -3.209 -4.541
120 HG LEU 21 HG LEU 21 11.103 -0.918 -6.157
121 HD11 LEU 21 HD11 LEU 21 9.450 -0.109 -4.453
122 HD12 LEU 21 HD12 LEU 21 11.082 0.444 -4.106
123 HD13 LEU 21 HD13 LEU 21 10.379 -0.921 -3.177
124 HD21 LEU 21 HD21 LEU 21 12.832 -2.595 -5.443
125 HD22 LEU 21 HD22 LEU 21 12.325 -2.353 -3.746
126 HD23 LEU 21 HD23 LEU 21 13.074 -1.013 -4.651
127 H ALA 22 H ALA 22 10.078 -5.460 -5.115
128 HA ALA 22 HA ALA 22 8.505 -7.083 -6.772
129 HB1 ALA 22 HB1 ALA 22 8.771 -7.229 -3.724
130 HB2 ALA 22 HB2 ALA 22 8.252 -8.562 -4.814
131 HB3 ALA 22 HB3 ALA 22 9.914 -7.919 -4.900
132 H GLY 23 H GLY 23 6.367 -7.190 -7.295
133 HA2 GLY 23 HA2 GLY 23 4.129 -7.224 -6.848
134 HA3 GLY 23 HA3 GLY 23 4.357 -6.469 -5.299
135 H CYS 24 H CYS 24 6.156 -4.600 -7.297
136 HA CYS 24 HA CYS 24 3.961 -2.605 -7.703
137 HB2 CYS 24 HB2 CYS 24 6.911 -2.313 -8.205
138 HB3 CYS 24 HB3 CYS 24 5.770 -1.009 -7.876
139 H VAL 25 H VAL 25 4.086 -1.402 -9.792
140 HA VAL 25 HA VAL 25 4.958 -3.201 -12.074
141 HB VAL 25 HB VAL 25 2.811 -2.430 -13.286
142 HG11 VAL 25 HG11 VAL 25 1.356 -4.022 -12.198
143 HG12 VAL 25 HG12 VAL 25 2.990 -4.674 -12.238
144 HG13 VAL 25 HG13 VAL 25 2.357 -3.999 -10.735
145 HG21 VAL 25 HG21 VAL 25 0.929 -1.410 -11.951
146 HG22 VAL 25 HG22 VAL 25 1.896 -1.472 -10.461
147 HG23 VAL 25 HG23 VAL 25 2.344 -0.364 -11.781
148 H CYS 26 H CYS 26 5.036 -1.985 -14.197
149 HA CYS 26 HA CYS 26 6.169 0.729 -13.755
150 HB2 CYS 26 HB2 CYS 26 7.196 -0.988 -15.308
151 HB3 CYS 26 HB3 CYS 26 5.815 -0.852 -16.394
152 H GLY 27 H GLY 27 4.762 2.410 -13.784
153 HA2 GLY 27 HA2 GLY 27 1.982 1.980 -14.371
154 HA3 GLY 27 HA3 GLY 27 2.746 3.470 -13.751
155 HA PRO 28 HA PRO 28 1.637 3.724 -18.371
156 HB2 PRO 28 HB2 PRO 28 -0.361 5.481 -18.361
157 HB3 PRO 28 HB3 PRO 28 -0.673 3.670 -18.043
158 HG2 PRO 28 HG2 PRO 28 -0.427 5.947 -16.070
159 HG3 PRO 28 HG3 PRO 28 -1.678 4.641 -16.181
160 HD2 PRO 28 HD2 PRO 28 0.537 4.561 -14.544
161 HD3 PRO 28 HD3 PRO 28 -0.234 3.077 -15.278
162 H ASN 29 H ASN 29 2.326 5.874 -15.872
163 HA ASN 29 HA ASN 29 2.954 8.251 -17.477
164 HB2 ASN 29 HB2 ASN 29 3.743 9.113 -15.293
165 HB3 ASN 29 HB3 ASN 29 2.179 8.439 -15.124
166 HD21 ASN 29 HD21 ASN 29 3.522 8.739 -12.877
167 HD22 ASN 29 HD22 ASN 29 4.116 7.224 -12.248
168 H GLY 30 H GLY 30 4.473 5.227 -16.810
169 HA2 GLY 30 HA2 GLY 30 6.425 4.539 -17.926
170 HA3 GLY 30 HA3 GLY 30 6.893 6.242 -18.100
171 H PHE 31 H PHE 31 5.756 5.363 -15.070
172 HA PHE 31 HA PHE 31 8.552 5.105 -13.909
173 HB2 PHE 31 HB2 PHE 31 6.211 6.788 -13.060
174 HB3 PHE 31 HB3 PHE 31 7.315 6.276 -11.951
175 HD1 PHE 31 HD1 PHE 31 9.808 6.850 -12.370
176 HD2 PHE 31 HD2 PHE 31 6.561 8.698 -14.464
177 HE1 PHE 31 HE1 PHE 31 11.260 8.856 -12.927
178 HE2 PHE 31 HE2 PHE 31 7.967 10.702 -14.922
179 HZ PHE 31 HZ PHE 31 10.354 10.732 -14.175
180 H CYS 32 H CYS 32 8.747 3.765 -12.147
181 HA CYS 32 HA CYS 32 6.930 1.590 -11.797
182 HB2 CYS 32 HB2 CYS 32 9.074 2.750 -10.027
183 HB3 CYS 32 HB3 CYS 32 8.223 1.245 -9.637
184 H GLY 33 H GLY 33 5.465 1.109 -10.234
185 HA2 GLY 33 HA2 GLY 33 4.836 2.590 -7.882
186 HA3 GLY 33 HA3 GLY 33 3.843 3.266 -9.175
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 0.110 -1.897 -1.660
2 H2 GLY 1 H2 GLY 1 1.262 -2.925 -2.223
3 H3 GLY 1 H3 GLY 1 1.406 -2.247 -0.715
4 HA2 GLY 1 HA2 GLY 1 1.633 -0.945 -3.344
5 HA3 GLY 1 HA3 GLY 1 1.333 -0.005 -1.839
6 H CYS 2 H CYS 2 3.725 0.599 -3.161
7 HA CYS 2 HA CYS 2 5.647 -0.412 -1.151
8 HB2 CYS 2 HB2 CYS 2 7.373 -0.690 -2.939
9 HB3 CYS 2 HB3 CYS 2 6.091 -1.874 -2.975
10 HA PRO 3 HA PRO 3 6.781 3.810 -1.244
11 HB2 PRO 3 HB2 PRO 3 9.371 3.954 -0.527
12 HB3 PRO 3 HB3 PRO 3 8.107 3.342 0.574
13 HG2 PRO 3 HG2 PRO 3 9.957 1.736 -1.266
14 HG3 PRO 3 HG3 PRO 3 9.683 1.579 0.530
15 HD2 PRO 3 HD2 PRO 3 8.397 0.051 -1.334
16 HD3 PRO 3 HD3 PRO 3 7.600 0.595 0.196
17 H GLN 4 H GLN 4 6.435 3.610 -3.714
18 HA GLN 4 HA GLN 4 8.830 4.791 -5.015
19 HB2 GLN 4 HB2 GLN 4 6.605 3.124 -6.036
20 HB3 GLN 4 HB3 GLN 4 7.592 4.066 -7.158
21 HG2 GLN 4 HG2 GLN 4 8.859 2.016 -5.233
22 HG3 GLN 4 HG3 GLN 4 8.280 1.524 -6.848
23 HE21 GLN 4 HE21 GLN 4 10.870 1.126 -6.112
24 HE22 GLN 4 HE22 GLN 4 11.845 2.204 -7.080
25 H GLY 5 H GLY 5 6.291 5.683 -3.287
26 HA2 GLY 5 HA2 GLY 5 6.006 8.086 -5.049
27 HA3 GLY 5 HA3 GLY 5 4.514 7.195 -4.696
28 H ARG 6 H ARG 6 7.235 7.874 -2.526
29 HA ARG 6 HA ARG 6 5.331 9.288 -0.683
30 HB2 ARG 6 HB2 ARG 6 8.120 8.233 -0.233
31 HB3 ARG 6 HB3 ARG 6 7.107 9.032 0.944
32 HG2 ARG 6 HG2 ARG 6 5.544 7.226 0.985
33 HG3 ARG 6 HG3 ARG 6 6.404 6.368 -0.261
34 HD2 ARG 6 HD2 ARG 6 8.445 6.246 1.232
35 HD3 ARG 6 HD3 ARG 6 7.518 7.117 2.475
36 HE ARG 6 HE ARG 6 6.133 4.715 1.695
37 HH11 ARG 6 HH11 ARG 6 9.183 5.629 3.358
38 HH12 ARG 6 HH12 ARG 6 9.214 4.176 4.323
39 HH21 ARG 6 HH21 ARG 6 6.241 2.911 2.989
40 HH22 ARG 6 HH22 ARG 6 7.528 2.674 4.141
41 H GLY 7 H GLY 7 6.628 11.088 0.551
42 HA2 GLY 7 HA2 GLY 7 7.236 13.105 -1.261
43 HA3 GLY 7 HA3 GLY 7 7.702 13.119 0.489
44 H ASP 8 H ASP 8 9.680 11.177 0.620
45 HA ASP 8 HA ASP 8 11.770 12.369 -1.131
46 HB2 ASP 8 HB2 ASP 8 11.845 12.255 1.395
47 HB3 ASP 8 HB3 ASP 8 12.212 10.518 1.235
48 H TRP 9 H TRP 9 9.705 10.067 -1.814
49 HA TRP 9 HA TRP 9 11.788 8.247 -2.964
50 HB2 TRP 9 HB2 TRP 9 9.065 7.459 -1.839
51 HB3 TRP 9 HB3 TRP 9 9.943 6.523 -3.001
52 HD1 TRP 9 HD1 TRP 9 11.607 4.778 -2.079
53 HE1 TRP 9 HE1 TRP 9 12.739 4.323 0.171
54 HE3 TRP 9 HE3 TRP 9 9.967 8.911 0.428
55 HZ2 TRP 9 HZ2 TRP 9 12.852 5.572 2.727
56 HZ3 TRP 9 HZ3 TRP 9 10.543 9.248 2.791
57 HH2 TRP 9 HH2 TRP 9 12.069 7.597 3.970
58 H ALA 10 H ALA 10 11.799 9.718 -4.562
59 HA ALA 10 HA ALA 10 9.527 10.366 -6.246
60 HB1 ALA 10 HB1 ALA 10 11.329 10.933 -7.932
61 HB2 ALA 10 HB2 ALA 10 11.637 11.712 -6.342
62 HB3 ALA 10 HB3 ALA 10 12.548 10.234 -6.816
63 HA PRO 11 HA PRO 11 9.383 6.280 -7.821
64 HB2 PRO 11 HB2 PRO 11 8.282 6.513 -10.263
65 HB3 PRO 11 HB3 PRO 11 7.351 6.747 -8.768
66 HG2 PRO 11 HG2 PRO 11 8.353 8.865 -10.606
67 HG3 PRO 11 HG3 PRO 11 6.832 8.779 -9.706
68 HD2 PRO 11 HD2 PRO 11 8.963 10.235 -8.803
69 HD3 PRO 11 HD3 PRO 11 7.740 9.497 -7.726
70 H THR 12 H THR 12 10.058 4.780 -9.519
71 HA THR 12 HA THR 12 12.672 5.698 -10.650
72 HB THR 12 HB THR 12 11.561 2.898 -10.365
73 HG1 THR 12 HG1 THR 12 11.927 4.326 -8.404
74 HG21 THR 12 HG21 THR 12 14.416 3.870 -10.682
75 HG22 THR 12 HG22 THR 12 13.472 3.096 -11.978
76 HG23 THR 12 HG23 THR 12 13.870 2.161 -10.506
77 H SER 13 H SER 13 12.866 6.012 -12.915
78 HA SER 13 HA SER 13 10.552 5.683 -14.572
79 HB2 SER 13 HB2 SER 13 12.141 6.326 -16.404
80 HB3 SER 13 HB3 SER 13 12.365 7.382 -15.049
81 HG SER 13 HG SER 13 14.357 6.605 -15.955
82 H CYS 14 H CYS 14 10.078 4.042 -15.987
83 HA CYS 14 HA CYS 14 11.968 1.702 -16.176
84 HB2 CYS 14 HB2 CYS 14 9.970 0.227 -15.463
85 HB3 CYS 14 HB3 CYS 14 10.622 1.311 -14.179
86 H SER 15 H SER 15 11.049 0.021 -17.580
87 HA SER 15 HA SER 15 9.096 0.997 -19.680
88 HB2 SER 15 HB2 SER 15 11.442 -0.851 -20.268
89 HB3 SER 15 HB3 SER 15 10.502 0.144 -21.384
90 HG SER 15 HG SER 15 12.566 1.040 -21.001
91 H GLN 16 H GLN 16 9.981 -1.337 -17.345
92 HA GLN 16 HA GLN 16 7.814 -3.179 -18.207
93 HB2 GLN 16 HB2 GLN 16 9.203 -5.137 -18.145
94 HB3 GLN 16 HB3 GLN 16 9.859 -4.022 -19.355
95 HG2 GLN 16 HG2 GLN 16 11.465 -3.254 -17.556
96 HG3 GLN 16 HG3 GLN 16 10.867 -4.610 -16.595
97 HE21 GLN 16 HE21 GLN 16 13.587 -4.129 -17.405
98 HE22 GLN 16 HE22 GLN 16 14.103 -5.446 -18.463
99 H ASP 17 H ASP 17 7.228 -4.616 -16.474
100 HA ASP 17 HA ASP 17 7.272 -3.308 -13.911
101 HB2 ASP 17 HB2 ASP 17 6.497 -6.176 -14.699
102 HB3 ASP 17 HB3 ASP 17 6.252 -5.438 -13.116
103 H SER 18 H SER 18 9.440 -5.729 -15.346
104 HA SER 18 HA SER 18 10.333 -6.674 -12.694
105 HB2 SER 18 HB2 SER 18 12.250 -7.632 -13.926
106 HB3 SER 18 HB3 SER 18 10.695 -8.040 -14.686
107 HG SER 18 HG SER 18 12.334 -7.357 -16.195
108 H ASP 19 H ASP 19 10.844 -3.705 -14.411
109 HA ASP 19 HA ASP 19 13.542 -3.127 -13.444
110 HB2 ASP 19 HB2 ASP 19 11.256 -1.308 -14.247
111 HB3 ASP 19 HB3 ASP 19 12.900 -0.764 -13.879
112 H CYS 20 H CYS 20 10.357 -3.410 -12.017
113 HA CYS 20 HA CYS 20 10.957 -1.268 -10.046
114 HB2 CYS 20 HB2 CYS 20 8.404 -2.814 -10.511
115 HB3 CYS 20 HB3 CYS 20 8.575 -1.354 -9.544
116 H LEU 21 H LEU 21 9.747 -1.711 -7.787
117 HA LEU 21 HA LEU 21 11.228 -3.878 -6.519
118 HB2 LEU 21 HB2 LEU 21 9.088 -1.976 -5.597
119 HB3 LEU 21 HB3 LEU 21 9.890 -3.119 -4.516
120 HG LEU 21 HG LEU 21 11.300 -0.950 -6.089
121 HD11 LEU 21 HD11 LEU 21 11.273 0.381 -3.974
122 HD12 LEU 21 HD12 LEU 21 10.337 -0.895 -3.156
123 HD13 LEU 21 HD13 LEU 21 9.593 0.009 -4.458
124 HD21 LEU 21 HD21 LEU 21 12.168 -2.752 -3.800
125 HD22 LEU 21 HD22 LEU 21 13.004 -1.243 -4.137
126 HD23 LEU 21 HD23 LEU 21 12.953 -2.528 -5.383
127 H ALA 22 H ALA 22 10.011 -5.386 -5.010
128 HA ALA 22 HA ALA 22 8.365 -7.042 -6.633
129 HB1 ALA 22 HB1 ALA 22 9.800 -7.980 -4.943
130 HB2 ALA 22 HB2 ALA 22 8.948 -7.052 -3.641
131 HB3 ALA 22 HB3 ALA 22 8.124 -8.365 -4.513
132 H GLY 23 H GLY 23 6.275 -6.882 -7.186
133 HA2 GLY 23 HA2 GLY 23 4.032 -6.986 -6.636
134 HA3 GLY 23 HA3 GLY 23 4.291 -6.199 -5.073
135 H CYS 24 H CYS 24 6.168 -4.511 -7.274
136 HA CYS 24 HA CYS 24 3.988 -2.457 -7.733
137 HB2 CYS 24 HB2 CYS 24 6.961 -2.093 -8.042
138 HB3 CYS 24 HB3 CYS 24 5.759 -0.871 -7.647
139 H VAL 25 H VAL 25 4.107 -1.344 -9.781
140 HA VAL 25 HA VAL 25 5.205 -3.104 -11.999
141 HB VAL 25 HB VAL 25 3.039 -2.606 -13.295
142 HG11 VAL 25 HG11 VAL 25 3.429 -4.685 -11.972
143 HG12 VAL 25 HG12 VAL 25 2.503 -3.926 -10.614
144 HG13 VAL 25 HG13 VAL 25 1.736 -4.239 -12.218
145 HG21 VAL 25 HG21 VAL 25 2.020 -1.418 -10.580
146 HG22 VAL 25 HG22 VAL 25 2.323 -0.471 -12.003
147 HG23 VAL 25 HG23 VAL 25 1.015 -1.662 -12.022
148 H CYS 26 H CYS 26 5.116 -1.936 -14.169
149 HA CYS 26 HA CYS 26 6.115 0.838 -13.790
150 HB2 CYS 26 HB2 CYS 26 7.321 -0.883 -15.208
151 HB3 CYS 26 HB3 CYS 26 5.998 -0.832 -16.371
152 H GLY 27 H GLY 27 4.583 2.406 -13.875
153 HA2 GLY 27 HA2 GLY 27 1.941 1.814 -14.805
154 HA3 GLY 27 HA3 GLY 27 2.465 3.276 -13.991
155 HA PRO 28 HA PRO 28 1.935 3.956 -18.634
156 HB2 PRO 28 HB2 PRO 28 -0.113 5.656 -18.715
157 HB3 PRO 28 HB3 PRO 28 -0.375 3.829 -18.601
158 HG2 PRO 28 HG2 PRO 28 -0.459 5.896 -16.422
159 HG3 PRO 28 HG3 PRO 28 -1.623 4.551 -16.771
160 HD2 PRO 28 HD2 PRO 28 0.430 4.439 -14.900
161 HD3 PRO 28 HD3 PRO 28 -0.203 3.010 -15.831
162 H ASN 29 H ASN 29 2.300 5.900 -15.920
163 HA ASN 29 HA ASN 29 3.029 8.413 -17.215
164 HB2 ASN 29 HB2 ASN 29 3.748 9.021 -14.894
165 HB3 ASN 29 HB3 ASN 29 2.141 8.376 -14.882
166 HD21 ASN 29 HD21 ASN 29 3.254 8.347 -12.549
167 HD22 ASN 29 HD22 ASN 29 3.779 6.745 -12.050
168 H GLY 30 H GLY 30 4.456 5.323 -16.856
169 HA2 GLY 30 HA2 GLY 30 6.425 4.672 -17.893
170 HA3 GLY 30 HA3 GLY 30 6.937 6.378 -17.987
171 H PHE 31 H PHE 31 5.733 5.370 -15.061
172 HA PHE 31 HA PHE 31 8.482 5.113 -13.821
173 HB2 PHE 31 HB2 PHE 31 6.076 6.704 -13.003
174 HB3 PHE 31 HB3 PHE 31 7.138 6.212 -11.862
175 HD1 PHE 31 HD1 PHE 31 9.736 6.707 -12.491
176 HD2 PHE 31 HD2 PHE 31 6.368 8.837 -14.027
177 HE1 PHE 31 HE1 PHE 31 11.179 8.739 -12.943
178 HE2 PHE 31 HE2 PHE 31 7.768 10.843 -14.380
179 HZ PHE 31 HZ PHE 31 10.216 10.767 -13.877
180 H CYS 32 H CYS 32 8.703 3.777 -12.117
181 HA CYS 32 HA CYS 32 6.917 1.563 -11.801
182 HB2 CYS 32 HB2 CYS 32 9.026 2.667 -10.006
183 HB3 CYS 32 HB3 CYS 32 8.207 1.170 -9.658
184 H GLY 33 H GLY 33 5.448 1.072 -10.096
185 HA2 GLY 33 HA2 GLY 33 4.954 2.756 -7.820
186 HA3 GLY 33 HA3 GLY 33 3.864 3.257 -9.061
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 1.548 -1.511 -0.255
2 H2 GLY 1 H2 GLY 1 0.481 -1.410 -1.446
3 H3 GLY 1 H3 GLY 1 1.840 -2.358 -1.630
4 HA2 GLY 1 HA2 GLY 1 1.929 -0.325 -2.873
5 HA3 GLY 1 HA3 GLY 1 1.889 0.541 -1.297
6 H CYS 2 H CYS 2 4.164 1.065 -2.775
7 HA CYS 2 HA CYS 2 6.220 -0.290 -1.108
8 HB2 CYS 2 HB2 CYS 2 7.605 -0.447 -3.344
9 HB3 CYS 2 HB3 CYS 2 6.489 -1.715 -2.864
10 HA PRO 3 HA PRO 3 7.795 3.833 -1.135
11 HB2 PRO 3 HB2 PRO 3 10.514 3.676 -0.984
12 HB3 PRO 3 HB3 PRO 3 9.444 3.067 0.298
13 HG2 PRO 3 HG2 PRO 3 10.696 1.559 -1.981
14 HG3 PRO 3 HG3 PRO 3 10.783 1.240 -0.198
15 HD2 PRO 3 HD2 PRO 3 8.997 -0.039 -1.823
16 HD3 PRO 3 HD3 PRO 3 8.549 0.488 -0.134
17 H GLN 4 H GLN 4 7.003 3.479 -3.662
18 HA GLN 4 HA GLN 4 9.049 4.936 -5.288
19 HB2 GLN 4 HB2 GLN 4 6.899 2.979 -6.073
20 HB3 GLN 4 HB3 GLN 4 7.804 3.940 -7.261
21 HG2 GLN 4 HG2 GLN 4 9.207 2.009 -5.311
22 HG3 GLN 4 HG3 GLN 4 8.643 1.484 -6.895
23 HE21 GLN 4 HE21 GLN 4 11.150 1.044 -6.470
24 HE22 GLN 4 HE22 GLN 4 12.110 2.207 -7.343
25 H GLY 5 H GLY 5 6.433 5.267 -3.359
26 HA2 GLY 5 HA2 GLY 5 5.607 7.648 -4.920
27 HA3 GLY 5 HA3 GLY 5 4.343 6.425 -4.663
28 H ARG 6 H ARG 6 6.879 8.080 -2.787
29 HA ARG 6 HA ARG 6 4.788 8.814 -0.805
30 HB2 ARG 6 HB2 ARG 6 7.614 8.106 -0.021
31 HB3 ARG 6 HB3 ARG 6 6.232 8.464 1.037
32 HG2 ARG 6 HG2 ARG 6 5.197 6.351 -0.215
33 HG3 ARG 6 HG3 ARG 6 6.842 5.928 -0.554
34 HD2 ARG 6 HD2 ARG 6 5.519 6.398 2.196
35 HD3 ARG 6 HD3 ARG 6 5.989 4.836 1.435
36 HE ARG 6 HE ARG 6 7.972 6.945 2.227
37 HH11 ARG 6 HH11 ARG 6 7.158 3.528 1.911
38 HH12 ARG 6 HH12 ARG 6 8.658 3.001 2.650
39 HH21 ARG 6 HH21 ARG 6 9.781 6.200 3.203
40 HH22 ARG 6 HH22 ARG 6 10.117 4.485 3.368
41 H GLY 7 H GLY 7 5.589 10.662 0.577
42 HA2 GLY 7 HA2 GLY 7 5.790 12.903 -0.854
43 HA3 GLY 7 HA3 GLY 7 6.485 12.790 0.796
44 H ASP 8 H ASP 8 8.906 11.502 0.461
45 HA ASP 8 HA ASP 8 10.208 13.013 -1.792
46 HB2 ASP 8 HB2 ASP 8 10.730 13.615 0.595
47 HB3 ASP 8 HB3 ASP 8 11.609 12.064 0.708
48 H TRP 9 H TRP 9 8.884 10.432 -2.014
49 HA TRP 9 HA TRP 9 11.248 8.809 -2.914
50 HB2 TRP 9 HB2 TRP 9 8.662 7.776 -1.666
51 HB3 TRP 9 HB3 TRP 9 9.629 6.848 -2.781
52 HD1 TRP 9 HD1 TRP 9 11.447 5.387 -1.816
53 HE1 TRP 9 HE1 TRP 9 12.732 5.243 0.387
54 HE3 TRP 9 HE3 TRP 9 9.509 9.531 0.458
55 HZ2 TRP 9 HZ2 TRP 9 12.903 6.734 2.799
56 HZ3 TRP 9 HZ3 TRP 9 10.224 10.157 2.716
57 HH2 TRP 9 HH2 TRP 9 11.987 8.795 3.919
58 H ALA 10 H ALA 10 11.006 10.209 -4.641
59 HA ALA 10 HA ALA 10 8.638 10.258 -6.298
60 HB1 ALA 10 HB1 ALA 10 11.541 10.708 -7.143
61 HB2 ALA 10 HB2 ALA 10 10.082 11.364 -7.913
62 HB3 ALA 10 HB3 ALA 10 10.597 11.953 -6.313
63 HA PRO 11 HA PRO 11 9.236 6.211 -7.852
64 HB2 PRO 11 HB2 PRO 11 8.158 6.265 -10.290
65 HB3 PRO 11 HB3 PRO 11 7.180 6.463 -8.843
66 HG2 PRO 11 HG2 PRO 11 8.073 8.642 -10.679
67 HG3 PRO 11 HG3 PRO 11 6.516 8.405 -9.895
68 HD2 PRO 11 HD2 PRO 11 8.320 10.110 -8.869
69 HD3 PRO 11 HD3 PRO 11 7.162 9.155 -7.840
70 H THR 12 H THR 12 10.067 4.792 -9.577
71 HA THR 12 HA THR 12 12.576 5.983 -10.705
72 HB THR 12 HB THR 12 11.704 3.092 -10.389
73 HG1 THR 12 HG1 THR 12 12.140 4.577 -8.446
74 HG21 THR 12 HG21 THR 12 13.437 3.144 -12.072
75 HG22 THR 12 HG22 THR 12 14.208 2.665 -10.523
76 HG23 THR 12 HG23 THR 12 14.375 4.309 -11.120
77 H SER 13 H SER 13 12.861 6.191 -12.944
78 HA SER 13 HA SER 13 10.655 5.787 -14.725
79 HB2 SER 13 HB2 SER 13 12.410 6.267 -16.459
80 HB3 SER 13 HB3 SER 13 12.418 7.465 -15.185
81 HG SER 13 HG SER 13 14.114 5.193 -15.269
82 H CYS 14 H CYS 14 10.121 4.017 -15.852
83 HA CYS 14 HA CYS 14 12.081 1.748 -16.117
84 HB2 CYS 14 HB2 CYS 14 10.105 0.228 -15.433
85 HB3 CYS 14 HB3 CYS 14 10.769 1.244 -14.112
86 H SER 15 H SER 15 11.027 0.037 -17.495
87 HA SER 15 HA SER 15 9.100 1.162 -19.568
88 HB2 SER 15 HB2 SER 15 11.344 -0.818 -20.146
89 HB3 SER 15 HB3 SER 15 10.338 0.049 -21.296
90 HG SER 15 HG SER 15 12.624 0.743 -20.751
91 H GLN 16 H GLN 16 10.025 -1.369 -17.357
92 HA GLN 16 HA GLN 16 7.663 -3.031 -18.167
93 HB2 GLN 16 HB2 GLN 16 8.945 -5.071 -18.178
94 HB3 GLN 16 HB3 GLN 16 9.734 -3.947 -19.306
95 HG2 GLN 16 HG2 GLN 16 11.375 -3.395 -17.522
96 HG3 GLN 16 HG3 GLN 16 10.625 -4.640 -16.525
97 HE21 GLN 16 HE21 GLN 16 13.151 -4.002 -18.593
98 HE22 GLN 16 HE22 GLN 16 13.534 -5.640 -19.141
99 H ASP 17 H ASP 17 6.980 -4.444 -16.502
100 HA ASP 17 HA ASP 17 7.057 -3.259 -13.890
101 HB2 ASP 17 HB2 ASP 17 6.329 -6.133 -14.686
102 HB3 ASP 17 HB3 ASP 17 6.001 -5.351 -13.110
103 H SER 18 H SER 18 9.150 -5.684 -15.452
104 HA SER 18 HA SER 18 10.155 -6.662 -12.855
105 HB2 SER 18 HB2 SER 18 10.307 -7.954 -15.029
106 HB3 SER 18 HB3 SER 18 11.558 -6.836 -15.563
107 HG SER 18 HG SER 18 12.294 -8.896 -14.482
108 H ASP 19 H ASP 19 10.701 -3.677 -14.525
109 HA ASP 19 HA ASP 19 13.447 -3.277 -13.548
110 HB2 ASP 19 HB2 ASP 19 11.295 -1.270 -14.381
111 HB3 ASP 19 HB3 ASP 19 12.994 -0.877 -14.011
112 H CYS 20 H CYS 20 10.260 -3.388 -12.164
113 HA CYS 20 HA CYS 20 10.961 -1.274 -10.183
114 HB2 CYS 20 HB2 CYS 20 8.308 -2.635 -10.666
115 HB3 CYS 20 HB3 CYS 20 8.585 -1.222 -9.656
116 H LEU 21 H LEU 21 9.956 -1.628 -7.907
117 HA LEU 21 HA LEU 21 11.273 -3.873 -6.729
118 HB2 LEU 21 HB2 LEU 21 9.227 -1.931 -5.736
119 HB3 LEU 21 HB3 LEU 21 10.008 -3.098 -4.675
120 HG LEU 21 HG LEU 21 11.467 -0.957 -6.291
121 HD11 LEU 21 HD11 LEU 21 10.569 -0.984 -3.364
122 HD12 LEU 21 HD12 LEU 21 10.020 0.134 -4.636
123 HD13 LEU 21 HD13 LEU 21 11.695 0.199 -4.055
124 HD21 LEU 21 HD21 LEU 21 12.414 -2.904 -4.124
125 HD22 LEU 21 HD22 LEU 21 13.266 -1.398 -4.455
126 HD23 LEU 21 HD23 LEU 21 13.096 -2.607 -5.742
127 H ALA 22 H ALA 22 10.140 -5.398 -5.194
128 HA ALA 22 HA ALA 22 8.485 -7.021 -6.781
129 HB1 ALA 22 HB1 ALA 22 8.887 -7.143 -3.789
130 HB2 ALA 22 HB2 ALA 22 8.367 -8.463 -4.849
131 HB3 ALA 22 HB3 ALA 22 9.981 -7.790 -5.003
132 H GLY 23 H GLY 23 6.343 -6.920 -7.270
133 HA2 GLY 23 HA2 GLY 23 4.124 -7.010 -6.689
134 HA3 GLY 23 HA3 GLY 23 4.416 -6.313 -5.131
135 H CYS 24 H CYS 24 6.167 -4.445 -7.198
136 HA CYS 24 HA CYS 24 3.975 -2.415 -7.558
137 HB2 CYS 24 HB2 CYS 24 6.945 -2.156 -8.042
138 HB3 CYS 24 HB3 CYS 24 5.807 -0.843 -7.659
139 H VAL 25 H VAL 25 4.024 -1.311 -9.712
140 HA VAL 25 HA VAL 25 5.007 -3.148 -11.920
141 HB VAL 25 HB VAL 25 2.853 -2.543 -13.183
142 HG11 VAL 25 HG11 VAL 25 3.120 -4.657 -11.985
143 HG12 VAL 25 HG12 VAL 25 2.375 -3.909 -10.540
144 HG13 VAL 25 HG13 VAL 25 1.434 -4.089 -12.068
145 HG21 VAL 25 HG21 VAL 25 1.887 -1.400 -10.431
146 HG22 VAL 25 HG22 VAL 25 2.266 -0.396 -11.828
147 HG23 VAL 25 HG23 VAL 25 0.916 -1.523 -11.893
148 H CYS 26 H CYS 26 5.006 -1.959 -14.094
149 HA CYS 26 HA CYS 26 6.100 0.790 -13.661
150 HB2 CYS 26 HB2 CYS 26 7.351 -0.919 -15.054
151 HB3 CYS 26 HB3 CYS 26 6.079 -0.889 -16.241
152 H GLY 27 H GLY 27 4.690 2.396 -13.889
153 HA2 GLY 27 HA2 GLY 27 2.025 1.851 -14.775
154 HA3 GLY 27 HA3 GLY 27 2.614 3.356 -14.102
155 HA PRO 28 HA PRO 28 2.041 3.643 -18.774
156 HB2 PRO 28 HB2 PRO 28 0.079 5.435 -18.943
157 HB3 PRO 28 HB3 PRO 28 -0.258 3.636 -18.715
158 HG2 PRO 28 HG2 PRO 28 -0.239 5.818 -16.683
159 HG3 PRO 28 HG3 PRO 28 -1.460 4.518 -16.940
160 HD2 PRO 28 HD2 PRO 28 0.586 4.461 -15.080
161 HD3 PRO 28 HD3 PRO 28 -0.105 2.991 -15.899
162 H ASN 29 H ASN 29 2.390 5.836 -16.223
163 HA ASN 29 HA ASN 29 3.179 8.234 -17.705
164 HB2 ASN 29 HB2 ASN 29 3.807 9.042 -15.448
165 HB3 ASN 29 HB3 ASN 29 2.216 8.395 -15.405
166 HD21 ASN 29 HD21 ASN 29 3.227 8.533 -13.027
167 HD22 ASN 29 HD22 ASN 29 3.790 7.007 -12.438
168 H GLY 30 H GLY 30 4.623 5.208 -17.003
169 HA2 GLY 30 HA2 GLY 30 6.639 4.541 -18.004
170 HA3 GLY 30 HA3 GLY 30 7.146 6.240 -18.071
171 H PHE 31 H PHE 31 5.777 5.144 -15.166
172 HA PHE 31 HA PHE 31 8.496 5.009 -13.887
173 HB2 PHE 31 HB2 PHE 31 6.049 6.582 -13.126
174 HB3 PHE 31 HB3 PHE 31 7.157 6.145 -11.986
175 HD1 PHE 31 HD1 PHE 31 9.627 6.884 -12.312
176 HD2 PHE 31 HD2 PHE 31 6.354 8.455 -14.607
177 HE1 PHE 31 HE1 PHE 31 10.993 8.935 -12.950
178 HE2 PHE 31 HE2 PHE 31 7.703 10.499 -15.145
179 HZ PHE 31 HZ PHE 31 10.063 10.671 -14.330
180 H CYS 32 H CYS 32 8.756 3.768 -12.111
181 HA CYS 32 HA CYS 32 7.038 1.539 -11.665
182 HB2 CYS 32 HB2 CYS 32 9.157 2.805 -9.996
183 HB3 CYS 32 HB3 CYS 32 8.416 1.268 -9.566
184 H GLY 33 H GLY 33 5.553 1.026 -10.152
185 HA2 GLY 33 HA2 GLY 33 4.935 2.165 -7.702
186 HA3 GLY 33 HA3 GLY 33 4.189 3.304 -8.814
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 0.212 -0.427 -1.114
2 H2 GLY 1 H2 GLY 1 1.400 -1.319 -0.417
3 H3 GLY 1 H3 GLY 1 1.264 0.308 -0.104
4 HA2 GLY 1 HA2 GLY 1 1.844 -0.866 -2.722
5 HA3 GLY 1 HA3 GLY 1 1.636 0.879 -2.339
6 H CYS 2 H CYS 2 4.119 -0.289 -3.428
7 HA CYS 2 HA CYS 2 5.985 -0.334 -1.183
8 HB2 CYS 2 HB2 CYS 2 7.673 -0.505 -3.045
9 HB3 CYS 2 HB3 CYS 2 6.410 -1.744 -3.038
10 HA PRO 3 HA PRO 3 7.024 3.935 -1.312
11 HB2 PRO 3 HB2 PRO 3 9.627 4.137 -0.663
12 HB3 PRO 3 HB3 PRO 3 8.402 3.494 0.473
13 HG2 PRO 3 HG2 PRO 3 10.243 1.958 -1.387
14 HG3 PRO 3 HG3 PRO 3 10.019 1.787 0.415
15 HD2 PRO 3 HD2 PRO 3 8.732 0.215 -1.447
16 HD3 PRO 3 HD3 PRO 3 7.950 0.709 0.109
17 H GLN 4 H GLN 4 6.599 3.627 -3.765
18 HA GLN 4 HA GLN 4 8.906 4.786 -5.243
19 HB2 GLN 4 HB2 GLN 4 6.650 3.007 -6.026
20 HB3 GLN 4 HB3 GLN 4 7.482 3.955 -7.263
21 HG2 GLN 4 HG2 GLN 4 9.040 2.066 -5.392
22 HG3 GLN 4 HG3 GLN 4 8.351 1.482 -6.928
23 HE21 GLN 4 HE21 GLN 4 11.026 1.278 -6.421
24 HE22 GLN 4 HE22 GLN 4 11.819 2.330 -7.560
25 H GLY 5 H GLY 5 6.060 5.337 -3.644
26 HA2 GLY 5 HA2 GLY 5 5.768 7.876 -5.187
27 HA3 GLY 5 HA3 GLY 5 4.309 6.847 -4.974
28 H ARG 6 H ARG 6 6.986 8.251 -3.073
29 HA ARG 6 HA ARG 6 4.945 9.189 -1.141
30 HB2 ARG 6 HB2 ARG 6 7.499 7.757 -0.366
31 HB3 ARG 6 HB3 ARG 6 6.392 8.558 0.745
32 HG2 ARG 6 HG2 ARG 6 4.610 7.006 0.095
33 HG3 ARG 6 HG3 ARG 6 5.689 6.155 -0.974
34 HD2 ARG 6 HD2 ARG 6 7.132 5.652 1.045
35 HD3 ARG 6 HD3 ARG 6 5.876 6.404 2.061
36 HE ARG 6 HE ARG 6 4.634 4.445 0.408
37 HH11 ARG 6 HH11 ARG 6 7.222 4.429 2.859
38 HH12 ARG 6 HH12 ARG 6 6.806 2.827 3.438
39 HH21 ARG 6 HH21 ARG 6 4.208 2.369 1.167
40 HH22 ARG 6 HH22 ARG 6 5.154 1.663 2.445
41 H GLY 7 H GLY 7 5.791 10.874 0.317
42 HA2 GLY 7 HA2 GLY 7 6.554 13.058 -1.065
43 HA3 GLY 7 HA3 GLY 7 6.880 12.869 0.661
44 H ASP 8 H ASP 8 9.076 11.030 0.593
45 HA ASP 8 HA ASP 8 11.092 12.635 -0.888
46 HB2 ASP 8 HB2 ASP 8 11.263 11.017 1.618
47 HB3 ASP 8 HB3 ASP 8 12.690 11.551 0.797
48 H TRP 9 H TRP 9 9.353 10.257 -1.823
49 HA TRP 9 HA TRP 9 11.606 8.614 -2.891
50 HB2 TRP 9 HB2 TRP 9 8.966 7.573 -1.775
51 HB3 TRP 9 HB3 TRP 9 9.941 6.719 -2.976
52 HD1 TRP 9 HD1 TRP 9 11.865 5.250 -2.137
53 HE1 TRP 9 HE1 TRP 9 12.996 4.849 0.131
54 HE3 TRP 9 HE3 TRP 9 9.530 8.935 0.518
55 HZ2 TRP 9 HZ2 TRP 9 12.906 6.018 2.729
56 HZ3 TRP 9 HZ3 TRP 9 10.049 9.282 2.885
57 HH2 TRP 9 HH2 TRP 9 11.810 7.856 4.022
58 H ALA 10 H ALA 10 11.509 10.079 -4.550
59 HA ALA 10 HA ALA 10 9.176 10.364 -6.268
60 HB1 ALA 10 HB1 ALA 10 12.156 10.710 -6.970
61 HB2 ALA 10 HB2 ALA 10 10.760 11.426 -7.814
62 HB3 ALA 10 HB3 ALA 10 11.186 11.974 -6.184
63 HA PRO 11 HA PRO 11 9.562 6.304 -7.855
64 HB2 PRO 11 HB2 PRO 11 8.479 6.468 -10.305
65 HB3 PRO 11 HB3 PRO 11 7.520 6.634 -8.818
66 HG2 PRO 11 HG2 PRO 11 8.431 8.762 -10.662
67 HG3 PRO 11 HG3 PRO 11 6.893 8.597 -9.804
68 HD2 PRO 11 HD2 PRO 11 8.866 10.238 -8.875
69 HD3 PRO 11 HD3 PRO 11 7.690 9.367 -7.792
70 H THR 12 H THR 12 10.260 4.818 -9.479
71 HA THR 12 HA THR 12 12.797 5.780 -10.759
72 HB THR 12 HB THR 12 11.697 2.966 -10.306
73 HG1 THR 12 HG1 THR 12 13.112 4.771 -8.772
74 HG21 THR 12 HG21 THR 12 13.370 2.859 -12.120
75 HG22 THR 12 HG22 THR 12 14.169 2.333 -10.579
76 HG23 THR 12 HG23 THR 12 14.452 3.958 -11.243
77 H SER 13 H SER 13 12.946 6.017 -12.980
78 HA SER 13 HA SER 13 10.679 5.699 -14.707
79 HB2 SER 13 HB2 SER 13 12.771 5.874 -16.402
80 HB3 SER 13 HB3 SER 13 12.205 7.303 -15.544
81 HG SER 13 HG SER 13 14.348 5.559 -14.823
82 H CYS 14 H CYS 14 10.102 3.942 -15.845
83 HA CYS 14 HA CYS 14 12.036 1.623 -16.085
84 HB2 CYS 14 HB2 CYS 14 10.008 0.149 -15.509
85 HB3 CYS 14 HB3 CYS 14 10.627 1.170 -14.165
86 H SER 15 H SER 15 11.231 -0.008 -17.534
87 HA SER 15 HA SER 15 9.491 1.089 -19.752
88 HB2 SER 15 HB2 SER 15 11.830 -0.887 -20.078
89 HB3 SER 15 HB3 SER 15 10.907 -0.108 -21.330
90 HG SER 15 HG SER 15 11.864 1.933 -20.199
91 H GLN 16 H GLN 16 10.144 -1.379 -17.398
92 HA GLN 16 HA GLN 16 7.699 -2.834 -18.236
93 HB2 GLN 16 HB2 GLN 16 8.785 -4.997 -18.233
94 HB3 GLN 16 HB3 GLN 16 9.477 -3.985 -19.497
95 HG2 GLN 16 HG2 GLN 16 11.441 -3.547 -18.005
96 HG3 GLN 16 HG3 GLN 16 10.727 -4.703 -16.859
97 HE21 GLN 16 HE21 GLN 16 12.935 -4.385 -19.320
98 HE22 GLN 16 HE22 GLN 16 13.021 -6.044 -19.905
99 H ASP 17 H ASP 17 6.994 -4.323 -16.575
100 HA ASP 17 HA ASP 17 7.134 -3.301 -13.921
101 HB2 ASP 17 HB2 ASP 17 6.544 -6.157 -14.854
102 HB3 ASP 17 HB3 ASP 17 6.282 -5.561 -13.195
103 H SER 18 H SER 18 9.254 -5.655 -15.559
104 HA SER 18 HA SER 18 10.296 -6.753 -13.049
105 HB2 SER 18 HB2 SER 18 10.641 -7.879 -15.270
106 HB3 SER 18 HB3 SER 18 11.721 -6.554 -15.765
107 HG SER 18 HG SER 18 12.197 -8.076 -13.381
108 H ASP 19 H ASP 19 10.820 -3.623 -14.621
109 HA ASP 19 HA ASP 19 13.431 -3.110 -13.375
110 HB2 ASP 19 HB2 ASP 19 11.282 -1.207 -14.350
111 HB3 ASP 19 HB3 ASP 19 12.921 -0.757 -13.829
112 H CYS 20 H CYS 20 10.253 -3.429 -12.010
113 HA CYS 20 HA CYS 20 10.840 -1.244 -10.073
114 HB2 CYS 20 HB2 CYS 20 8.280 -2.764 -10.592
115 HB3 CYS 20 HB3 CYS 20 8.447 -1.351 -9.561
116 H LEU 21 H LEU 21 9.781 -1.577 -7.818
117 HA LEU 21 HA LEU 21 11.186 -3.722 -6.535
118 HB2 LEU 21 HB2 LEU 21 9.089 -1.791 -5.717
119 HB3 LEU 21 HB3 LEU 21 9.717 -2.947 -4.584
120 HG LEU 21 HG LEU 21 11.419 -0.871 -6.031
121 HD11 LEU 21 HD11 LEU 21 11.271 0.507 -4.047
122 HD12 LEU 21 HD12 LEU 21 10.248 -0.671 -3.207
123 HD13 LEU 21 HD13 LEU 21 9.634 0.169 -4.624
124 HD21 LEU 21 HD21 LEU 21 13.057 -1.302 -4.221
125 HD22 LEU 21 HD22 LEU 21 12.718 -2.798 -5.087
126 HD23 LEU 21 HD23 LEU 21 11.967 -2.495 -3.501
127 H ALA 22 H ALA 22 10.105 -5.297 -5.095
128 HA ALA 22 HA ALA 22 8.447 -6.979 -6.617
129 HB1 ALA 22 HB1 ALA 22 8.286 -8.335 -4.599
130 HB2 ALA 22 HB2 ALA 22 9.964 -7.716 -4.814
131 HB3 ALA 22 HB3 ALA 22 8.869 -6.964 -3.611
132 H GLY 23 H GLY 23 6.298 -6.944 -7.094
133 HA2 GLY 23 HA2 GLY 23 4.064 -6.949 -6.619
134 HA3 GLY 23 HA3 GLY 23 4.335 -6.288 -5.007
135 H CYS 24 H CYS 24 6.095 -4.629 -7.428
136 HA CYS 24 HA CYS 24 3.930 -2.508 -7.669
137 HB2 CYS 24 HB2 CYS 24 6.898 -2.115 -8.061
138 HB3 CYS 24 HB3 CYS 24 5.680 -0.899 -7.665
139 H VAL 25 H VAL 25 4.082 -1.367 -9.771
140 HA VAL 25 HA VAL 25 5.059 -3.188 -12.004
141 HB VAL 25 HB VAL 25 2.942 -2.481 -13.292
142 HG11 VAL 25 HG11 VAL 25 1.461 -3.968 -12.156
143 HG12 VAL 25 HG12 VAL 25 3.086 -4.647 -12.087
144 HG13 VAL 25 HG13 VAL 25 2.396 -3.874 -10.642
145 HG21 VAL 25 HG21 VAL 25 1.038 -1.398 -12.034
146 HG22 VAL 25 HG22 VAL 25 1.996 -1.346 -10.542
147 HG23 VAL 25 HG23 VAL 25 2.443 -0.325 -11.919
148 H CYS 26 H CYS 26 5.004 -1.973 -14.180
149 HA CYS 26 HA CYS 26 6.167 0.741 -13.753
150 HB2 CYS 26 HB2 CYS 26 7.267 -1.038 -15.234
151 HB3 CYS 26 HB3 CYS 26 5.931 -0.888 -16.347
152 H GLY 27 H GLY 27 4.560 2.278 -13.706
153 HA2 GLY 27 HA2 GLY 27 1.907 1.705 -14.574
154 HA3 GLY 27 HA3 GLY 27 2.462 3.159 -13.746
155 HA PRO 28 HA PRO 28 1.762 3.861 -18.358
156 HB2 PRO 28 HB2 PRO 28 -0.326 5.491 -18.395
157 HB3 PRO 28 HB3 PRO 28 -0.507 3.663 -18.259
158 HG2 PRO 28 HG2 PRO 28 -0.622 5.708 -16.083
159 HG3 PRO 28 HG3 PRO 28 -1.767 4.365 -16.437
160 HD2 PRO 28 HD2 PRO 28 0.320 4.265 -14.619
161 HD3 PRO 28 HD3 PRO 28 -0.285 2.836 -15.520
162 H ASN 29 H ASN 29 2.289 5.747 -15.684
163 HA ASN 29 HA ASN 29 2.827 8.315 -16.989
164 HB2 ASN 29 HB2 ASN 29 3.714 8.907 -14.716
165 HB3 ASN 29 HB3 ASN 29 2.137 8.233 -14.593
166 HD21 ASN 29 HD21 ASN 29 3.384 8.188 -12.332
167 HD22 ASN 29 HD22 ASN 29 3.936 6.587 -11.928
168 H GLY 30 H GLY 30 4.367 5.273 -16.712
169 HA2 GLY 30 HA2 GLY 30 6.301 4.671 -17.916
170 HA3 GLY 30 HA3 GLY 30 6.734 6.385 -18.014
171 H PHE 31 H PHE 31 5.695 5.213 -15.015
172 HA PHE 31 HA PHE 31 8.497 5.007 -13.964
173 HB2 PHE 31 HB2 PHE 31 6.217 6.680 -12.945
174 HB3 PHE 31 HB3 PHE 31 7.402 6.185 -11.932
175 HD1 PHE 31 HD1 PHE 31 9.850 6.809 -12.439
176 HD2 PHE 31 HD2 PHE 31 6.510 8.608 -14.436
177 HE1 PHE 31 HE1 PHE 31 11.270 8.801 -13.093
178 HE2 PHE 31 HE2 PHE 31 7.902 10.604 -15.009
179 HZ PHE 31 HZ PHE 31 10.312 10.656 -14.360
180 H CYS 32 H CYS 32 8.710 3.789 -12.107
181 HA CYS 32 HA CYS 32 6.901 1.596 -11.731
182 HB2 CYS 32 HB2 CYS 32 8.956 2.792 -9.925
183 HB3 CYS 32 HB3 CYS 32 8.136 1.281 -9.561
184 H GLY 33 H GLY 33 5.411 1.126 -10.157
185 HA2 GLY 33 HA2 GLY 33 4.733 2.706 -7.887
186 HA3 GLY 33 HA3 GLY 33 3.718 3.276 -9.205
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 0.068 0.466 -1.481
2 H2 GLY 1 H2 GLY 1 1.099 -0.204 -0.427
3 H3 GLY 1 H3 GLY 1 1.265 1.387 -0.851
4 HA2 GLY 1 HA2 GLY 1 1.528 -0.834 -2.747
5 HA3 GLY 1 HA3 GLY 1 1.757 0.928 -3.041
6 H CYS 2 H CYS 2 3.983 -0.329 -3.744
7 HA CYS 2 HA CYS 2 5.834 -0.558 -1.538
8 HB2 CYS 2 HB2 CYS 2 7.214 -0.241 -4.005
9 HB3 CYS 2 HB3 CYS 2 6.870 -1.777 -3.121
10 HA PRO 3 HA PRO 3 6.992 3.667 -1.390
11 HB2 PRO 3 HB2 PRO 3 9.613 3.771 -0.705
12 HB3 PRO 3 HB3 PRO 3 8.354 3.102 0.390
13 HG2 PRO 3 HG2 PRO 3 10.226 1.637 -1.547
14 HG3 PRO 3 HG3 PRO 3 9.899 1.373 0.219
15 HD2 PRO 3 HD2 PRO 3 8.638 -0.068 -1.734
16 HD3 PRO 3 HD3 PRO 3 7.814 0.366 -0.166
17 H GLN 4 H GLN 4 6.634 3.482 -3.864
18 HA GLN 4 HA GLN 4 8.946 4.818 -5.231
19 HB2 GLN 4 HB2 GLN 4 6.796 2.952 -6.201
20 HB3 GLN 4 HB3 GLN 4 7.751 3.918 -7.329
21 HG2 GLN 4 HG2 GLN 4 9.107 2.027 -5.340
22 HG3 GLN 4 HG3 GLN 4 8.587 1.471 -6.933
23 HE21 GLN 4 HE21 GLN 4 11.036 0.997 -6.521
24 HE22 GLN 4 HE22 GLN 4 11.998 2.134 -7.380
25 H GLY 5 H GLY 5 6.516 5.551 -3.423
26 HA2 GLY 5 HA2 GLY 5 5.862 7.895 -5.117
27 HA3 GLY 5 HA3 GLY 5 4.466 6.837 -4.763
28 H ARG 6 H ARG 6 7.270 7.920 -2.839
29 HA ARG 6 HA ARG 6 5.335 8.803 -0.747
30 HB2 ARG 6 HB2 ARG 6 8.224 8.198 -0.335
31 HB3 ARG 6 HB3 ARG 6 7.020 8.495 0.872
32 HG2 ARG 6 HG2 ARG 6 6.107 6.265 -0.633
33 HG3 ARG 6 HG3 ARG 6 7.796 6.007 -0.301
34 HD2 ARG 6 HD2 ARG 6 6.509 5.088 1.464
35 HD3 ARG 6 HD3 ARG 6 7.232 6.543 2.165
36 HE ARG 6 HE ARG 6 4.605 6.982 0.959
37 HH11 ARG 6 HH11 ARG 6 6.149 5.805 3.968
38 HH12 ARG 6 HH12 ARG 6 4.705 6.199 4.903
39 HH21 ARG 6 HH21 ARG 6 2.893 7.504 2.237
40 HH22 ARG 6 HH22 ARG 6 2.858 7.054 3.923
41 H GLY 7 H GLY 7 6.602 10.550 0.688
42 HA2 GLY 7 HA2 GLY 7 6.719 12.851 -0.901
43 HA3 GLY 7 HA3 GLY 7 7.353 12.729 0.783
44 H ASP 8 H ASP 8 9.613 11.321 0.656
45 HA ASP 8 HA ASP 8 11.253 12.795 -1.343
46 HB2 ASP 8 HB2 ASP 8 11.893 11.362 1.219
47 HB3 ASP 8 HB3 ASP 8 13.182 11.796 0.143
48 H TRP 9 H TRP 9 9.622 10.061 -1.664
49 HA TRP 9 HA TRP 9 11.831 8.610 -3.049
50 HB2 TRP 9 HB2 TRP 9 9.250 7.442 -1.895
51 HB3 TRP 9 HB3 TRP 9 10.261 6.657 -3.084
52 HD1 TRP 9 HD1 TRP 9 11.979 5.031 -2.199
53 HE1 TRP 9 HE1 TRP 9 13.198 4.637 0.023
54 HE3 TRP 9 HE3 TRP 9 10.094 8.993 0.404
55 HZ2 TRP 9 HZ2 TRP 9 13.344 5.902 2.523
56 HZ3 TRP 9 HZ3 TRP 9 10.773 9.357 2.714
57 HH2 TRP 9 HH2 TRP 9 12.477 7.842 3.790
58 H ALA 10 H ALA 10 11.682 10.028 -4.657
59 HA ALA 10 HA ALA 10 9.294 10.365 -6.288
60 HB1 ALA 10 HB1 ALA 10 11.127 12.005 -6.504
61 HB2 ALA 10 HB2 ALA 10 12.314 10.686 -6.825
62 HB3 ALA 10 HB3 ALA 10 11.071 11.103 -8.022
63 HA PRO 11 HA PRO 11 9.485 6.317 -7.860
64 HB2 PRO 11 HB2 PRO 11 8.277 6.474 -10.266
65 HB3 PRO 11 HB3 PRO 11 7.383 6.705 -8.754
66 HG2 PRO 11 HG2 PRO 11 8.347 8.770 -10.664
67 HG3 PRO 11 HG3 PRO 11 6.821 8.647 -9.785
68 HD2 PRO 11 HD2 PRO 11 8.804 10.244 -8.872
69 HD3 PRO 11 HD3 PRO 11 7.631 9.398 -7.774
70 H THR 12 H THR 12 10.296 4.779 -9.447
71 HA THR 12 HA THR 12 12.786 5.837 -10.720
72 HB THR 12 HB THR 12 11.788 2.995 -10.387
73 HG1 THR 12 HG1 THR 12 12.157 4.378 -8.464
74 HG21 THR 12 HG21 THR 12 13.532 3.036 -12.062
75 HG22 THR 12 HG22 THR 12 14.275 2.528 -10.553
76 HG23 THR 12 HG23 THR 12 14.483 4.176 -11.103
77 H SER 13 H SER 13 12.941 6.086 -12.986
78 HA SER 13 HA SER 13 10.612 5.699 -14.626
79 HB2 SER 13 HB2 SER 13 12.359 6.211 -16.463
80 HB3 SER 13 HB3 SER 13 12.213 7.463 -15.250
81 HG SER 13 HG SER 13 14.439 6.818 -15.838
82 H CYS 14 H CYS 14 10.070 3.978 -15.827
83 HA CYS 14 HA CYS 14 12.004 1.671 -15.974
84 HB2 CYS 14 HB2 CYS 14 10.017 0.188 -15.426
85 HB3 CYS 14 HB3 CYS 14 10.566 1.237 -14.080
86 H SER 15 H SER 15 11.131 0.039 -17.503
87 HA SER 15 HA SER 15 9.288 1.119 -19.634
88 HB2 SER 15 HB2 SER 15 11.646 -0.775 -20.025
89 HB3 SER 15 HB3 SER 15 10.682 -0.045 -21.263
90 HG SER 15 HG SER 15 12.027 1.619 -21.153
91 H GLN 16 H GLN 16 10.050 -1.313 -17.269
92 HA GLN 16 HA GLN 16 7.649 -2.855 -18.082
93 HB2 GLN 16 HB2 GLN 16 8.725 -4.974 -18.066
94 HB3 GLN 16 HB3 GLN 16 9.448 -3.968 -19.352
95 HG2 GLN 16 HG2 GLN 16 11.024 -3.729 -16.964
96 HG3 GLN 16 HG3 GLN 16 10.686 -5.434 -17.292
97 HE21 GLN 16 HE21 GLN 16 12.353 -2.551 -18.425
98 HE22 GLN 16 HE22 GLN 16 13.232 -3.321 -19.745
99 H ASP 17 H ASP 17 7.027 -4.397 -16.395
100 HA ASP 17 HA ASP 17 7.174 -3.358 -13.787
101 HB2 ASP 17 HB2 ASP 17 6.618 -6.287 -14.568
102 HB3 ASP 17 HB3 ASP 17 6.288 -5.535 -13.002
103 H SER 18 H SER 18 9.310 -5.647 -15.473
104 HA SER 18 HA SER 18 10.485 -6.715 -12.990
105 HB2 SER 18 HB2 SER 18 10.731 -7.942 -15.073
106 HB3 SER 18 HB3 SER 18 11.681 -6.626 -15.789
107 HG SER 18 HG SER 18 12.897 -8.516 -14.855
108 H ASP 19 H ASP 19 10.875 -3.616 -14.533
109 HA ASP 19 HA ASP 19 13.562 -3.141 -13.425
110 HB2 ASP 19 HB2 ASP 19 11.439 -1.169 -14.380
111 HB3 ASP 19 HB3 ASP 19 13.159 -0.827 -14.066
112 H CYS 20 H CYS 20 10.425 -3.437 -12.046
113 HA CYS 20 HA CYS 20 10.956 -1.228 -10.106
114 HB2 CYS 20 HB2 CYS 20 8.371 -2.710 -10.669
115 HB3 CYS 20 HB3 CYS 20 8.565 -1.294 -9.641
116 H LEU 21 H LEU 21 9.659 -1.690 -7.921
117 HA LEU 21 HA LEU 21 11.083 -3.907 -6.659
118 HB2 LEU 21 HB2 LEU 21 8.971 -1.984 -5.710
119 HB3 LEU 21 HB3 LEU 21 9.831 -3.133 -4.656
120 HG LEU 21 HG LEU 21 11.175 -0.929 -6.272
121 HD11 LEU 21 HD11 LEU 21 11.248 0.396 -4.200
122 HD12 LEU 21 HD12 LEU 21 10.346 -0.880 -3.332
123 HD13 LEU 21 HD13 LEU 21 9.564 0.013 -4.610
124 HD21 LEU 21 HD21 LEU 21 12.722 -2.773 -5.557
125 HD22 LEU 21 HD22 LEU 21 12.189 -2.572 -3.893
126 HD23 LEU 21 HD23 LEU 21 13.086 -1.243 -4.695
127 H ALA 22 H ALA 22 9.858 -5.477 -5.291
128 HA ALA 22 HA ALA 22 7.898 -6.823 -6.855
129 HB1 ALA 22 HB1 ALA 22 7.617 -8.244 -4.842
130 HB2 ALA 22 HB2 ALA 22 9.347 -7.958 -5.228
131 HB3 ALA 22 HB3 ALA 22 8.544 -7.052 -3.896
132 H GLY 23 H GLY 23 5.656 -6.614 -6.953
133 HA2 GLY 23 HA2 GLY 23 3.575 -6.156 -6.150
134 HA3 GLY 23 HA3 GLY 23 4.202 -5.346 -4.730
135 H CYS 24 H CYS 24 5.991 -4.171 -7.244
136 HA CYS 24 HA CYS 24 4.089 -1.897 -7.838
137 HB2 CYS 24 HB2 CYS 24 7.117 -2.051 -7.638
138 HB3 CYS 24 HB3 CYS 24 6.372 -0.888 -8.729
139 H VAL 25 H VAL 25 4.096 -1.133 -9.969
140 HA VAL 25 HA VAL 25 4.972 -3.169 -12.029
141 HB VAL 25 HB VAL 25 2.759 -2.448 -13.288
142 HG11 VAL 25 HG11 VAL 25 1.340 -3.961 -12.037
143 HG12 VAL 25 HG12 VAL 25 2.995 -4.604 -12.140
144 HG13 VAL 25 HG13 VAL 25 2.444 -3.879 -10.609
145 HG21 VAL 25 HG21 VAL 25 2.287 -0.305 -11.941
146 HG22 VAL 25 HG22 VAL 25 0.906 -1.385 -11.936
147 HG23 VAL 25 HG23 VAL 25 1.964 -1.283 -10.488
148 H CYS 26 H CYS 26 5.045 -2.041 -14.245
149 HA CYS 26 HA CYS 26 6.153 0.692 -13.840
150 HB2 CYS 26 HB2 CYS 26 7.223 -1.023 -15.375
151 HB3 CYS 26 HB3 CYS 26 5.881 -0.849 -16.479
152 H GLY 27 H GLY 27 4.701 2.272 -13.766
153 HA2 GLY 27 HA2 GLY 27 1.969 1.809 -14.437
154 HA3 GLY 27 HA3 GLY 27 2.659 3.269 -13.752
155 HA PRO 28 HA PRO 28 1.625 3.756 -18.336
156 HB2 PRO 28 HB2 PRO 28 -0.400 5.441 -18.250
157 HB3 PRO 28 HB3 PRO 28 -0.647 3.630 -18.069
158 HG2 PRO 28 HG2 PRO 28 -0.541 5.754 -15.941
159 HG3 PRO 28 HG3 PRO 28 -1.744 4.392 -16.139
160 HD2 PRO 28 HD2 PRO 28 0.496 4.377 -14.479
161 HD3 PRO 28 HD3 PRO 28 -0.211 2.922 -15.274
162 H ASN 29 H ASN 29 2.216 5.783 -15.725
163 HA ASN 29 HA ASN 29 2.816 8.282 -17.174
164 HB2 ASN 29 HB2 ASN 29 3.592 9.019 -14.940
165 HB3 ASN 29 HB3 ASN 29 2.065 8.310 -14.753
166 HD21 ASN 29 HD21 ASN 29 3.551 8.549 -12.608
167 HD22 ASN 29 HD22 ASN 29 4.167 6.997 -12.072
168 H GLY 30 H GLY 30 4.276 5.230 -16.745
169 HA2 GLY 30 HA2 GLY 30 6.211 4.580 -17.905
170 HA3 GLY 30 HA3 GLY 30 6.670 6.287 -18.057
171 H PHE 31 H PHE 31 5.669 5.060 -15.019
172 HA PHE 31 HA PHE 31 8.502 4.900 -13.993
173 HB2 PHE 31 HB2 PHE 31 6.216 6.577 -12.979
174 HB3 PHE 31 HB3 PHE 31 7.417 6.084 -11.973
175 HD1 PHE 31 HD1 PHE 31 9.792 6.834 -12.267
176 HD2 PHE 31 HD2 PHE 31 6.583 8.290 -14.716
177 HE1 PHE 31 HE1 PHE 31 11.186 8.832 -12.977
178 HE2 PHE 31 HE2 PHE 31 7.930 10.290 -15.332
179 HZ PHE 31 HZ PHE 31 10.245 10.522 -14.481
180 H CYS 32 H CYS 32 8.765 3.726 -12.089
181 HA CYS 32 HA CYS 32 6.967 1.491 -11.675
182 HB2 CYS 32 HB2 CYS 32 9.012 2.760 -9.894
183 HB3 CYS 32 HB3 CYS 32 8.266 1.209 -9.543
184 H GLY 33 H GLY 33 5.334 1.168 -10.176
185 HA2 GLY 33 HA2 GLY 33 4.816 2.839 -7.932
186 HA3 GLY 33 HA3 GLY 33 3.764 3.363 -9.253
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 0.366 1.412 -0.924
2 H2 GLY 1 H2 GLY 1 1.553 1.075 0.107
3 H3 GLY 1 H3 GLY 1 1.594 2.479 -0.747
4 HA2 GLY 1 HA2 GLY 1 1.653 -0.097 -2.056
5 HA3 GLY 1 HA3 GLY 1 1.938 1.515 -2.739
6 H CYS 2 H CYS 2 4.022 -0.078 -3.323
7 HA CYS 2 HA CYS 2 6.003 -0.244 -1.248
8 HB2 CYS 2 HB2 CYS 2 7.510 -0.617 -3.268
9 HB3 CYS 2 HB3 CYS 2 6.196 -1.734 -3.082
10 HA PRO 3 HA PRO 3 7.557 3.821 -1.319
11 HB2 PRO 3 HB2 PRO 3 10.222 3.657 -0.829
12 HB3 PRO 3 HB3 PRO 3 8.996 3.099 0.360
13 HG2 PRO 3 HG2 PRO 3 10.483 1.526 -1.747
14 HG3 PRO 3 HG3 PRO 3 10.405 1.282 0.031
15 HD2 PRO 3 HD2 PRO 3 8.817 -0.045 -1.739
16 HD3 PRO 3 HD3 PRO 3 8.186 0.473 -0.113
17 H GLN 4 H GLN 4 7.020 3.343 -3.855
18 HA GLN 4 HA GLN 4 9.202 4.738 -5.340
19 HB2 GLN 4 HB2 GLN 4 7.166 2.692 -6.167
20 HB3 GLN 4 HB3 GLN 4 8.025 3.686 -7.365
21 HG2 GLN 4 HG2 GLN 4 9.514 1.894 -5.361
22 HG3 GLN 4 HG3 GLN 4 9.010 1.277 -6.949
23 HE21 GLN 4 HE21 GLN 4 11.356 0.811 -6.912
24 HE22 GLN 4 HE22 GLN 4 12.286 2.054 -7.672
25 H GLY 5 H GLY 5 6.694 5.187 -3.493
26 HA2 GLY 5 HA2 GLY 5 5.832 7.556 -4.933
27 HA3 GLY 5 HA3 GLY 5 4.565 6.280 -4.991
28 H ARG 6 H ARG 6 6.825 7.996 -2.908
29 HA ARG 6 HA ARG 6 4.675 8.415 -0.930
30 HB2 ARG 6 HB2 ARG 6 7.436 7.369 -0.216
31 HB3 ARG 6 HB3 ARG 6 6.247 7.952 0.944
32 HG2 ARG 6 HG2 ARG 6 4.703 6.174 0.344
33 HG3 ARG 6 HG3 ARG 6 5.825 5.553 -0.843
34 HD2 ARG 6 HD2 ARG 6 7.479 5.137 1.022
35 HD3 ARG 6 HD3 ARG 6 6.235 5.650 2.177
36 HE ARG 6 HE ARG 6 5.133 3.627 0.496
37 HH11 ARG 6 HH11 ARG 6 7.887 3.788 2.799
38 HH12 ARG 6 HH12 ARG 6 7.687 2.115 3.271
39 HH21 ARG 6 HH21 ARG 6 4.979 1.520 1.159
40 HH22 ARG 6 HH22 ARG 6 6.084 0.859 2.355
41 H GLY 7 H GLY 7 5.300 10.264 0.557
42 HA2 GLY 7 HA2 GLY 7 5.799 12.515 -0.861
43 HA3 GLY 7 HA3 GLY 7 6.174 12.361 0.879
44 H ASP 8 H ASP 8 8.551 10.912 0.968
45 HA ASP 8 HA ASP 8 10.383 12.626 -0.601
46 HB2 ASP 8 HB2 ASP 8 10.807 10.859 1.802
47 HB3 ASP 8 HB3 ASP 8 12.087 11.747 1.025
48 H TRP 9 H TRP 9 8.878 9.959 -1.492
49 HA TRP 9 HA TRP 9 11.349 8.688 -2.632
50 HB2 TRP 9 HB2 TRP 9 8.824 7.258 -1.663
51 HB3 TRP 9 HB3 TRP 9 10.001 6.598 -2.812
52 HD1 TRP 9 HD1 TRP 9 11.986 5.300 -1.823
53 HE1 TRP 9 HE1 TRP 9 13.026 5.029 0.489
54 HE3 TRP 9 HE3 TRP 9 9.146 8.738 0.694
55 HZ2 TRP 9 HZ2 TRP 9 12.699 6.182 3.076
56 HZ3 TRP 9 HZ3 TRP 9 9.528 9.125 3.073
57 HH2 TRP 9 HH2 TRP 9 11.365 7.889 4.293
58 H ALA 10 H ALA 10 11.174 10.012 -4.317
59 HA ALA 10 HA ALA 10 8.852 10.194 -6.031
60 HB1 ALA 10 HB1 ALA 10 10.535 11.192 -7.645
61 HB2 ALA 10 HB2 ALA 10 10.613 11.978 -6.035
62 HB3 ALA 10 HB3 ALA 10 11.847 10.763 -6.500
63 HA PRO 11 HA PRO 11 9.407 6.270 -7.816
64 HB2 PRO 11 HB2 PRO 11 8.302 6.457 -10.244
65 HB3 PRO 11 HB3 PRO 11 7.335 6.606 -8.768
66 HG2 PRO 11 HG2 PRO 11 8.283 8.831 -10.560
67 HG3 PRO 11 HG3 PRO 11 6.702 8.593 -9.760
68 HD2 PRO 11 HD2 PRO 11 8.610 10.210 -8.669
69 HD3 PRO 11 HD3 PRO 11 7.416 9.287 -7.672
70 H THR 12 H THR 12 10.171 4.945 -9.616
71 HA THR 12 HA THR 12 12.683 6.150 -10.806
72 HB THR 12 HB THR 12 11.963 3.239 -10.355
73 HG1 THR 12 HG1 THR 12 12.227 4.651 -8.456
74 HG21 THR 12 HG21 THR 12 13.701 3.371 -12.072
75 HG22 THR 12 HG22 THR 12 14.484 2.985 -10.527
76 HG23 THR 12 HG23 THR 12 14.560 4.639 -11.159
77 H SER 13 H SER 13 12.809 6.267 -13.061
78 HA SER 13 HA SER 13 10.507 5.691 -14.653
79 HB2 SER 13 HB2 SER 13 12.966 7.070 -14.985
80 HB3 SER 13 HB3 SER 13 12.944 5.763 -16.233
81 HG SER 13 HG SER 13 11.862 7.840 -16.823
82 H CYS 14 H CYS 14 10.063 3.995 -15.922
83 HA CYS 14 HA CYS 14 12.030 1.728 -16.076
84 HB2 CYS 14 HB2 CYS 14 10.086 0.197 -15.390
85 HB3 CYS 14 HB3 CYS 14 10.695 1.320 -14.123
86 H SER 15 H SER 15 11.150 -0.023 -17.496
87 HA SER 15 HA SER 15 9.285 1.023 -19.668
88 HB2 SER 15 HB2 SER 15 11.660 -0.852 -20.114
89 HB3 SER 15 HB3 SER 15 10.681 -0.001 -21.295
90 HG SER 15 HG SER 15 11.626 1.974 -20.157
91 H GLN 16 H GLN 16 9.973 -1.361 -17.263
92 HA GLN 16 HA GLN 16 7.751 -3.105 -18.188
93 HB2 GLN 16 HB2 GLN 16 8.985 -5.120 -18.123
94 HB3 GLN 16 HB3 GLN 16 9.754 -4.026 -19.299
95 HG2 GLN 16 HG2 GLN 16 11.440 -3.422 -17.515
96 HG3 GLN 16 HG3 GLN 16 10.676 -4.680 -16.534
97 HE21 GLN 16 HE21 GLN 16 13.434 -4.523 -17.320
98 HE22 GLN 16 HE22 GLN 16 13.804 -5.922 -18.347
99 H ASP 17 H ASP 17 7.095 -4.520 -16.458
100 HA ASP 17 HA ASP 17 7.174 -3.331 -13.867
101 HB2 ASP 17 HB2 ASP 17 6.466 -6.213 -14.632
102 HB3 ASP 17 HB3 ASP 17 6.150 -5.453 -13.051
103 H SER 18 H SER 18 9.300 -5.745 -15.406
104 HA SER 18 HA SER 18 10.262 -6.671 -12.793
105 HB2 SER 18 HB2 SER 18 10.550 -7.942 -14.962
106 HB3 SER 18 HB3 SER 18 11.824 -6.775 -15.429
107 HG SER 18 HG SER 18 12.633 -8.770 -14.372
108 H ASP 19 H ASP 19 10.847 -3.708 -14.549
109 HA ASP 19 HA ASP 19 13.502 -3.184 -13.488
110 HB2 ASP 19 HB2 ASP 19 11.309 -1.283 -14.424
111 HB3 ASP 19 HB3 ASP 19 12.996 -0.834 -14.048
112 H CYS 20 H CYS 20 10.369 -3.464 -12.083
113 HA CYS 20 HA CYS 20 10.971 -1.276 -10.158
114 HB2 CYS 20 HB2 CYS 20 8.361 -2.748 -10.629
115 HB3 CYS 20 HB3 CYS 20 8.568 -1.308 -9.642
116 H LEU 21 H LEU 21 9.870 -1.657 -7.897
117 HA LEU 21 HA LEU 21 11.279 -3.905 -6.740
118 HB2 LEU 21 HB2 LEU 21 9.337 -1.880 -5.698
119 HB3 LEU 21 HB3 LEU 21 10.058 -3.098 -4.643
120 HG LEU 21 HG LEU 21 11.588 -0.941 -6.238
121 HD11 LEU 21 HD11 LEU 21 10.730 -1.040 -3.282
122 HD12 LEU 21 HD12 LEU 21 10.208 0.119 -4.510
123 HD13 LEU 21 HD13 LEU 21 11.905 0.115 -3.983
124 HD21 LEU 21 HD21 LEU 21 12.469 -2.970 -4.113
125 HD22 LEU 21 HD22 LEU 21 13.405 -1.519 -4.499
126 HD23 LEU 21 HD23 LEU 21 13.122 -2.741 -5.763
127 H ALA 22 H ALA 22 10.041 -5.352 -5.133
128 HA ALA 22 HA ALA 22 8.297 -6.957 -6.701
129 HB1 ALA 22 HB1 ALA 22 9.713 -7.879 -4.996
130 HB2 ALA 22 HB2 ALA 22 8.888 -6.948 -3.723
131 HB3 ALA 22 HB3 ALA 22 8.053 -8.251 -4.569
132 H GLY 23 H GLY 23 6.171 -6.757 -7.163
133 HA2 GLY 23 HA2 GLY 23 3.946 -6.776 -6.524
134 HA3 GLY 23 HA3 GLY 23 4.268 -5.989 -5.019
135 H CYS 24 H CYS 24 6.112 -4.354 -7.190
136 HA CYS 24 HA CYS 24 4.008 -2.233 -7.647
137 HB2 CYS 24 HB2 CYS 24 6.973 -2.078 -8.286
138 HB3 CYS 24 HB3 CYS 24 5.883 -0.761 -7.886
139 H VAL 25 H VAL 25 4.144 -1.212 -9.821
140 HA VAL 25 HA VAL 25 4.967 -3.137 -12.019
141 HB VAL 25 HB VAL 25 2.788 -2.449 -13.248
142 HG11 VAL 25 HG11 VAL 25 2.514 -3.904 -10.583
143 HG12 VAL 25 HG12 VAL 25 1.333 -3.956 -11.927
144 HG13 VAL 25 HG13 VAL 25 2.975 -4.622 -12.152
145 HG21 VAL 25 HG21 VAL 25 0.918 -1.441 -11.914
146 HG22 VAL 25 HG22 VAL 25 1.909 -1.332 -10.440
147 HG23 VAL 25 HG23 VAL 25 2.298 -0.320 -11.858
148 H CYS 26 H CYS 26 4.944 -1.938 -14.213
149 HA CYS 26 HA CYS 26 6.104 0.794 -13.768
150 HB2 CYS 26 HB2 CYS 26 7.177 -0.969 -15.297
151 HB3 CYS 26 HB3 CYS 26 5.853 -0.737 -16.410
152 H GLY 27 H GLY 27 4.658 2.431 -13.821
153 HA2 GLY 27 HA2 GLY 27 1.927 1.990 -14.546
154 HA3 GLY 27 HA3 GLY 27 2.625 3.486 -13.873
155 HA PRO 28 HA PRO 28 1.820 3.737 -18.534
156 HB2 PRO 28 HB2 PRO 28 -0.147 5.508 -18.684
157 HB3 PRO 28 HB3 PRO 28 -0.499 3.772 -18.354
158 HG2 PRO 28 HG2 PRO 28 -0.341 6.015 -16.397
159 HG3 PRO 28 HG3 PRO 28 -1.607 4.725 -16.546
160 HD2 PRO 28 HD2 PRO 28 0.553 4.660 -14.794
161 HD3 PRO 28 HD3 PRO 28 -0.212 3.211 -15.548
162 H ASN 29 H ASN 29 2.400 5.893 -16.045
163 HA ASN 29 HA ASN 29 3.223 8.256 -17.633
164 HB2 ASN 29 HB2 ASN 29 3.995 9.038 -15.377
165 HB3 ASN 29 HB3 ASN 29 2.354 8.538 -15.303
166 HD21 ASN 29 HD21 ASN 29 3.627 8.703 -12.986
167 HD22 ASN 29 HD22 ASN 29 3.951 7.122 -12.322
168 H GLY 30 H GLY 30 4.485 5.150 -16.882
169 HA2 GLY 30 HA2 GLY 30 6.422 4.277 -17.821
170 HA3 GLY 30 HA3 GLY 30 7.014 5.951 -18.125
171 H PHE 31 H PHE 31 5.756 5.206 -15.056
172 HA PHE 31 HA PHE 31 8.530 5.071 -13.858
173 HB2 PHE 31 HB2 PHE 31 6.080 6.614 -13.048
174 HB3 PHE 31 HB3 PHE 31 7.120 6.164 -11.901
175 HD1 PHE 31 HD1 PHE 31 9.690 6.755 -12.342
176 HD2 PHE 31 HD2 PHE 31 6.404 8.669 -14.252
177 HE1 PHE 31 HE1 PHE 31 11.127 8.785 -12.817
178 HE2 PHE 31 HE2 PHE 31 7.767 10.701 -14.649
179 HZ PHE 31 HZ PHE 31 10.158 10.743 -13.970
180 H CYS 32 H CYS 32 8.766 3.749 -12.095
181 HA CYS 32 HA CYS 32 6.945 1.548 -11.758
182 HB2 CYS 32 HB2 CYS 32 9.035 2.679 -9.950
183 HB3 CYS 32 HB3 CYS 32 8.255 1.144 -9.640
184 H GLY 33 H GLY 33 5.453 1.057 -10.088
185 HA2 GLY 33 HA2 GLY 33 5.089 2.730 -7.774
186 HA3 GLY 33 HA3 GLY 33 3.863 3.138 -8.967
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 1.507 -1.260 -1.531
2 H2 GLY 1 H2 GLY 1 1.110 -0.235 -0.300
3 H3 GLY 1 H3 GLY 1 0.163 -0.315 -1.672
4 HA2 GLY 1 HA2 GLY 1 1.788 0.622 -2.985
5 HA3 GLY 1 HA3 GLY 1 1.501 1.671 -1.535
6 H CYS 2 H CYS 2 3.875 0.106 -3.429
7 HA CYS 2 HA CYS 2 5.825 -0.291 -1.274
8 HB2 CYS 2 HB2 CYS 2 7.367 -0.317 -3.436
9 HB3 CYS 2 HB3 CYS 2 6.287 -1.649 -3.050
10 HA PRO 3 HA PRO 3 7.339 3.836 -1.169
11 HB2 PRO 3 HB2 PRO 3 9.992 3.722 -0.619
12 HB3 PRO 3 HB3 PRO 3 8.733 3.135 0.507
13 HG2 PRO 3 HG2 PRO 3 10.328 1.521 -1.504
14 HG3 PRO 3 HG3 PRO 3 10.131 1.283 0.301
15 HD2 PRO 3 HD2 PRO 3 8.606 -0.029 -1.610
16 HD3 PRO 3 HD3 PRO 3 7.927 0.441 0.006
17 H GLN 4 H GLN 4 6.806 3.743 -3.572
18 HA GLN 4 HA GLN 4 9.109 4.835 -5.139
19 HB2 GLN 4 HB2 GLN 4 6.807 3.110 -5.912
20 HB3 GLN 4 HB3 GLN 4 7.721 3.988 -7.112
21 HG2 GLN 4 HG2 GLN 4 9.092 2.043 -5.181
22 HG3 GLN 4 HG3 GLN 4 8.431 1.479 -6.732
23 HE21 GLN 4 HE21 GLN 4 10.886 0.861 -6.435
24 HE22 GLN 4 HE22 GLN 4 11.869 1.895 -7.414
25 H GLY 5 H GLY 5 6.994 5.827 -3.116
26 HA2 GLY 5 HA2 GLY 5 6.225 8.147 -4.682
27 HA3 GLY 5 HA3 GLY 5 4.811 7.086 -4.379
28 H ARG 6 H ARG 6 7.660 8.219 -2.611
29 HA ARG 6 HA ARG 6 5.866 8.986 -0.363
30 HB2 ARG 6 HB2 ARG 6 8.767 8.250 -0.127
31 HB3 ARG 6 HB3 ARG 6 7.681 8.625 1.207
32 HG2 ARG 6 HG2 ARG 6 6.724 6.317 -0.423
33 HG3 ARG 6 HG3 ARG 6 8.316 6.090 0.208
34 HD2 ARG 6 HD2 ARG 6 7.056 5.313 1.919
35 HD3 ARG 6 HD3 ARG 6 7.126 6.993 2.481
36 HE ARG 6 HE ARG 6 4.892 6.621 0.734
37 HH11 ARG 6 HH11 ARG 6 5.931 5.491 3.937
38 HH12 ARG 6 HH12 ARG 6 4.270 5.340 4.482
39 HH21 ARG 6 HH21 ARG 6 2.832 6.428 1.507
40 HH22 ARG 6 HH22 ARG 6 2.519 5.853 3.119
41 H GLY 7 H GLY 7 7.174 10.766 1.023
42 HA2 GLY 7 HA2 GLY 7 7.333 13.009 -0.589
43 HA3 GLY 7 HA3 GLY 7 8.076 12.872 1.047
44 H ASP 8 H ASP 8 10.242 11.225 0.655
45 HA ASP 8 HA ASP 8 11.802 12.694 -1.413
46 HB2 ASP 8 HB2 ASP 8 12.621 11.030 0.934
47 HB3 ASP 8 HB3 ASP 8 13.783 11.653 -0.184
48 H TRP 9 H TRP 9 10.138 9.829 -1.387
49 HA TRP 9 HA TRP 9 12.184 8.350 -2.984
50 HB2 TRP 9 HB2 TRP 9 9.599 7.338 -1.705
51 HB3 TRP 9 HB3 TRP 9 10.499 6.511 -2.977
52 HD1 TRP 9 HD1 TRP 9 12.135 4.755 -2.143
53 HE1 TRP 9 HE1 TRP 9 13.555 4.378 -0.032
54 HE3 TRP 9 HE3 TRP 9 10.787 8.945 0.469
55 HZ2 TRP 9 HZ2 TRP 9 14.019 5.695 2.421
56 HZ3 TRP 9 HZ3 TRP 9 11.687 9.346 2.693
57 HH2 TRP 9 HH2 TRP 9 13.379 7.755 3.679
58 H ALA 10 H ALA 10 12.031 9.800 -4.656
59 HA ALA 10 HA ALA 10 9.594 10.295 -6.118
60 HB1 ALA 10 HB1 ALA 10 12.466 10.334 -7.172
61 HB2 ALA 10 HB2 ALA 10 11.048 11.261 -7.790
62 HB3 ALA 10 HB3 ALA 10 11.768 11.674 -6.226
63 HA PRO 11 HA PRO 11 9.414 6.286 -7.815
64 HB2 PRO 11 HB2 PRO 11 8.166 6.575 -10.168
65 HB3 PRO 11 HB3 PRO 11 7.315 6.809 -8.631
66 HG2 PRO 11 HG2 PRO 11 8.369 8.930 -10.466
67 HG3 PRO 11 HG3 PRO 11 6.817 8.850 -9.553
68 HD2 PRO 11 HD2 PRO 11 8.946 10.287 -8.585
69 HD3 PRO 11 HD3 PRO 11 7.773 9.431 -7.513
70 H THR 12 H THR 12 10.137 4.772 -9.464
71 HA THR 12 HA THR 12 12.623 5.814 -10.712
72 HB THR 12 HB THR 12 11.619 2.958 -10.347
73 HG1 THR 12 HG1 THR 12 12.222 4.435 -8.459
74 HG21 THR 12 HG21 THR 12 13.257 2.864 -12.113
75 HG22 THR 12 HG22 THR 12 14.100 2.413 -10.628
76 HG23 THR 12 HG23 THR 12 14.302 4.058 -11.260
77 H SER 13 H SER 13 12.838 6.042 -12.951
78 HA SER 13 HA SER 13 10.523 5.692 -14.656
79 HB2 SER 13 HB2 SER 13 12.888 7.146 -14.790
80 HB3 SER 13 HB3 SER 13 13.121 5.829 -16.013
81 HG SER 13 HG SER 13 11.955 7.763 -16.803
82 H CYS 14 H CYS 14 10.055 3.978 -15.906
83 HA CYS 14 HA CYS 14 12.009 1.693 -16.055
84 HB2 CYS 14 HB2 CYS 14 9.949 0.213 -15.558
85 HB3 CYS 14 HB3 CYS 14 10.504 1.231 -14.183
86 H SER 15 H SER 15 11.146 -0.019 -17.472
87 HA SER 15 HA SER 15 9.331 0.971 -19.706
88 HB2 SER 15 HB2 SER 15 11.668 -0.976 -20.026
89 HB3 SER 15 HB3 SER 15 10.683 -0.237 -21.286
90 HG SER 15 HG SER 15 12.747 0.788 -21.077
91 H GLN 16 H GLN 16 10.237 -1.472 -17.399
92 HA GLN 16 HA GLN 16 7.765 -3.042 -18.132
93 HB2 GLN 16 HB2 GLN 16 8.996 -5.144 -17.957
94 HB3 GLN 16 HB3 GLN 16 9.563 -4.175 -19.315
95 HG2 GLN 16 HG2 GLN 16 11.044 -3.810 -16.813
96 HG3 GLN 16 HG3 GLN 16 11.089 -5.445 -17.498
97 HE21 GLN 16 HE21 GLN 16 13.470 -4.675 -17.389
98 HE22 GLN 16 HE22 GLN 16 14.116 -4.047 -18.887
99 H ASP 17 H ASP 17 7.200 -4.499 -16.390
100 HA ASP 17 HA ASP 17 7.263 -3.264 -13.839
101 HB2 ASP 17 HB2 ASP 17 6.642 -6.185 -14.566
102 HB3 ASP 17 HB3 ASP 17 6.300 -5.410 -12.993
103 H SER 18 H SER 18 9.384 -5.627 -15.386
104 HA SER 18 HA SER 18 10.465 -6.669 -12.857
105 HB2 SER 18 HB2 SER 18 10.782 -7.909 -14.971
106 HB3 SER 18 HB3 SER 18 11.704 -6.558 -15.673
107 HG SER 18 HG SER 18 12.460 -8.514 -13.791
108 H ASP 19 H ASP 19 10.961 -3.572 -14.531
109 HA ASP 19 HA ASP 19 13.595 -2.993 -13.379
110 HB2 ASP 19 HB2 ASP 19 11.315 -1.201 -14.299
111 HB3 ASP 19 HB3 ASP 19 12.918 -0.617 -13.836
112 H CYS 20 H CYS 20 10.369 -3.268 -12.108
113 HA CYS 20 HA CYS 20 10.916 -1.188 -10.087
114 HB2 CYS 20 HB2 CYS 20 8.378 -2.765 -10.578
115 HB3 CYS 20 HB3 CYS 20 8.532 -1.317 -9.603
116 H LEU 21 H LEU 21 9.764 -1.698 -7.834
117 HA LEU 21 HA LEU 21 11.187 -3.963 -6.666
118 HB2 LEU 21 HB2 LEU 21 9.219 -1.965 -5.674
119 HB3 LEU 21 HB3 LEU 21 9.882 -3.211 -4.631
120 HG LEU 21 HG LEU 21 11.501 -1.111 -6.109
121 HD11 LEU 21 HD11 LEU 21 10.333 -1.056 -3.277
122 HD12 LEU 21 HD12 LEU 21 9.986 0.068 -4.587
123 HD13 LEU 21 HD13 LEU 21 11.609 0.063 -3.839
124 HD21 LEU 21 HD21 LEU 21 12.839 -3.057 -5.343
125 HD22 LEU 21 HD22 LEU 21 12.211 -2.846 -3.695
126 HD23 LEU 21 HD23 LEU 21 13.276 -1.582 -4.423
127 H ALA 22 H ALA 22 9.928 -5.459 -5.174
128 HA ALA 22 HA ALA 22 8.120 -6.943 -6.803
129 HB1 ALA 22 HB1 ALA 22 9.540 -8.023 -5.161
130 HB2 ALA 22 HB2 ALA 22 8.830 -7.095 -3.843
131 HB3 ALA 22 HB3 ALA 22 7.884 -8.322 -4.713
132 H GLY 23 H GLY 23 5.944 -6.876 -7.066
133 HA2 GLY 23 HA2 GLY 23 3.755 -6.673 -6.335
134 HA3 GLY 23 HA3 GLY 23 4.248 -5.851 -4.892
135 H CYS 24 H CYS 24 5.988 -4.460 -7.312
136 HA CYS 24 HA CYS 24 3.963 -2.230 -7.714
137 HB2 CYS 24 HB2 CYS 24 6.925 -2.142 -8.274
138 HB3 CYS 24 HB3 CYS 24 5.870 -0.790 -7.957
139 H VAL 25 H VAL 25 4.032 -1.286 -9.831
140 HA VAL 25 HA VAL 25 4.907 -3.203 -12.037
141 HB VAL 25 HB VAL 25 2.735 -2.514 -13.305
142 HG11 VAL 25 HG11 VAL 25 2.969 -4.667 -12.161
143 HG12 VAL 25 HG12 VAL 25 2.260 -3.925 -10.684
144 HG13 VAL 25 HG13 VAL 25 1.314 -4.049 -12.217
145 HG21 VAL 25 HG21 VAL 25 1.821 -1.410 -10.548
146 HG22 VAL 25 HG22 VAL 25 2.194 -0.396 -11.926
147 HG23 VAL 25 HG23 VAL 25 0.832 -1.499 -12.003
148 H CYS 26 H CYS 26 4.998 -2.029 -14.212
149 HA CYS 26 HA CYS 26 6.121 0.708 -13.785
150 HB2 CYS 26 HB2 CYS 26 7.266 -0.999 -15.227
151 HB3 CYS 26 HB3 CYS 26 5.956 -0.977 -16.367
152 H GLY 27 H GLY 27 4.687 2.342 -13.944
153 HA2 GLY 27 HA2 GLY 27 1.987 1.812 -14.763
154 HA3 GLY 27 HA3 GLY 27 2.607 3.288 -13.994
155 HA PRO 28 HA PRO 28 1.973 3.937 -18.625
156 HB2 PRO 28 HB2 PRO 28 -0.098 5.539 -18.704
157 HB3 PRO 28 HB3 PRO 28 -0.311 3.737 -18.567
158 HG2 PRO 28 HG2 PRO 28 -0.474 5.818 -16.375
159 HG3 PRO 28 HG3 PRO 28 -1.617 4.455 -16.731
160 HD2 PRO 28 HD2 PRO 28 0.470 4.404 -14.861
161 HD3 PRO 28 HD3 PRO 28 -0.134 2.930 -15.777
162 H ASN 29 H ASN 29 2.253 5.876 -15.895
163 HA ASN 29 HA ASN 29 2.891 8.451 -17.165
164 HB2 ASN 29 HB2 ASN 29 3.657 9.013 -14.828
165 HB3 ASN 29 HB3 ASN 29 2.075 8.354 -14.786
166 HD21 ASN 29 HD21 ASN 29 3.257 8.311 -12.502
167 HD22 ASN 29 HD22 ASN 29 3.863 6.731 -12.052
168 H GLY 30 H GLY 30 4.441 5.382 -16.748
169 HA2 GLY 30 HA2 GLY 30 6.358 4.827 -17.963
170 HA3 GLY 30 HA3 GLY 30 6.856 6.530 -17.936
171 H PHE 31 H PHE 31 5.645 5.307 -15.026
172 HA PHE 31 HA PHE 31 8.411 5.037 -13.896
173 HB2 PHE 31 HB2 PHE 31 6.065 6.638 -12.878
174 HB3 PHE 31 HB3 PHE 31 7.247 6.096 -11.851
175 HD1 PHE 31 HD1 PHE 31 9.728 6.746 -12.320
176 HD2 PHE 31 HD2 PHE 31 6.334 8.582 -14.238
177 HE1 PHE 31 HE1 PHE 31 11.121 8.790 -12.939
178 HE2 PHE 31 HE2 PHE 31 7.718 10.608 -14.759
179 HZ PHE 31 HZ PHE 31 10.126 10.680 -14.124
180 H CYS 32 H CYS 32 8.670 3.765 -12.102
181 HA CYS 32 HA CYS 32 6.874 1.545 -11.751
182 HB2 CYS 32 HB2 CYS 32 9.003 2.690 -9.991
183 HB3 CYS 32 HB3 CYS 32 8.205 1.164 -9.657
184 H GLY 33 H GLY 33 5.369 1.055 -10.125
185 HA2 GLY 33 HA2 GLY 33 4.859 2.682 -7.812
186 HA3 GLY 33 HA3 GLY 33 3.794 3.245 -9.100
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 0.306 0.632 -1.103
2 H2 GLY 1 H2 GLY 1 1.388 -0.174 -0.188
3 H3 GLY 1 H3 GLY 1 1.467 1.472 -0.322
4 HA2 GLY 1 HA2 GLY 1 1.845 -0.405 -2.528
5 HA3 GLY 1 HA3 GLY 1 1.878 1.388 -2.611
6 H CYS 2 H CYS 2 4.184 0.031 -3.454
7 HA CYS 2 HA CYS 2 6.083 -0.165 -1.282
8 HB2 CYS 2 HB2 CYS 2 7.692 -0.280 -3.310
9 HB3 CYS 2 HB3 CYS 2 6.465 -1.542 -3.107
10 HA PRO 3 HA PRO 3 7.504 3.963 -1.195
11 HB2 PRO 3 HB2 PRO 3 10.148 3.915 -0.573
12 HB3 PRO 3 HB3 PRO 3 8.880 3.294 0.555
13 HG2 PRO 3 HG2 PRO 3 10.548 1.748 -1.487
14 HG3 PRO 3 HG3 PRO 3 10.360 1.486 0.307
15 HD2 PRO 3 HD2 PRO 3 8.900 0.125 -1.599
16 HD3 PRO 3 HD3 PRO 3 8.206 0.612 0.009
17 H GLN 4 H GLN 4 7.037 3.629 -3.698
18 HA GLN 4 HA GLN 4 9.278 4.940 -5.162
19 HB2 GLN 4 HB2 GLN 4 7.160 2.992 -6.011
20 HB3 GLN 4 HB3 GLN 4 8.027 3.964 -7.207
21 HG2 GLN 4 HG2 GLN 4 9.541 2.118 -5.268
22 HG3 GLN 4 HG3 GLN 4 8.946 1.538 -6.844
23 HE21 GLN 4 HE21 GLN 4 11.559 1.357 -6.311
24 HE22 GLN 4 HE22 GLN 4 12.391 2.485 -7.300
25 H GLY 5 H GLY 5 7.154 5.783 -3.220
26 HA2 GLY 5 HA2 GLY 5 6.248 8.007 -4.796
27 HA3 GLY 5 HA3 GLY 5 4.902 6.857 -4.584
28 H ARG 6 H ARG 6 7.542 8.293 -2.697
29 HA ARG 6 HA ARG 6 5.546 9.117 -0.653
30 HB2 ARG 6 HB2 ARG 6 8.348 8.208 -0.020
31 HB3 ARG 6 HB3 ARG 6 7.119 8.699 1.125
32 HG2 ARG 6 HG2 ARG 6 7.052 6.148 -0.595
33 HG3 ARG 6 HG3 ARG 6 7.448 6.300 1.127
34 HD2 ARG 6 HD2 ARG 6 5.063 7.221 1.399
35 HD3 ARG 6 HD3 ARG 6 4.762 6.801 -0.294
36 HE ARG 6 HE ARG 6 5.847 4.532 1.013
37 HH11 ARG 6 HH11 ARG 6 2.856 6.237 0.796
38 HH12 ARG 6 HH12 ARG 6 1.925 4.898 1.213
39 HH21 ARG 6 HH21 ARG 6 4.655 2.816 1.606
40 HH22 ARG 6 HH22 ARG 6 2.924 2.898 1.656
41 H GLY 7 H GLY 7 6.613 10.924 0.750
42 HA2 GLY 7 HA2 GLY 7 7.019 13.090 -0.871
43 HA3 GLY 7 HA3 GLY 7 7.562 13.018 0.845
44 H ASP 8 H ASP 8 9.725 11.207 0.610
45 HA ASP 8 HA ASP 8 11.560 12.764 -1.171
46 HB2 ASP 8 HB2 ASP 8 11.817 12.650 1.340
47 HB3 ASP 8 HB3 ASP 8 12.377 10.971 1.142
48 H TRP 9 H TRP 9 9.751 10.237 -1.746
49 HA TRP 9 HA TRP 9 11.957 8.607 -2.947
50 HB2 TRP 9 HB2 TRP 9 9.359 7.564 -1.715
51 HB3 TRP 9 HB3 TRP 9 10.325 6.704 -2.889
52 HD1 TRP 9 HD1 TRP 9 12.143 5.158 -2.043
53 HE1 TRP 9 HE1 TRP 9 13.411 4.816 0.160
54 HE3 TRP 9 HE3 TRP 9 10.242 9.141 0.533
55 HZ2 TRP 9 HZ2 TRP 9 13.552 6.107 2.689
56 HZ3 TRP 9 HZ3 TRP 9 10.932 9.540 2.868
57 HH2 TRP 9 HH2 TRP 9 12.655 8.064 3.951
58 H ALA 10 H ALA 10 11.754 9.991 -4.664
59 HA ALA 10 HA ALA 10 9.311 10.292 -6.199
60 HB1 ALA 10 HB1 ALA 10 12.154 10.582 -7.241
61 HB2 ALA 10 HB2 ALA 10 10.701 11.408 -7.820
62 HB3 ALA 10 HB3 ALA 10 11.402 11.844 -6.246
63 HA PRO 11 HA PRO 11 9.597 6.256 -7.871
64 HB2 PRO 11 HB2 PRO 11 8.283 6.409 -10.196
65 HB3 PRO 11 HB3 PRO 11 7.451 6.601 -8.650
66 HG2 PRO 11 HG2 PRO 11 8.210 8.737 -10.549
67 HG3 PRO 11 HG3 PRO 11 6.732 8.559 -9.591
68 HD2 PRO 11 HD2 PRO 11 8.752 10.188 -8.784
69 HD3 PRO 11 HD3 PRO 11 7.652 9.332 -7.644
70 H THR 12 H THR 12 10.324 4.830 -9.572
71 HA THR 12 HA THR 12 12.739 5.992 -10.868
72 HB THR 12 HB THR 12 11.892 3.100 -10.608
73 HG1 THR 12 HG1 THR 12 12.193 4.448 -8.610
74 HG21 THR 12 HG21 THR 12 14.662 4.305 -10.972
75 HG22 THR 12 HG22 THR 12 13.739 3.531 -12.306
76 HG23 THR 12 HG23 THR 12 14.273 2.579 -10.892
77 H SER 13 H SER 13 12.844 6.250 -13.122
78 HA SER 13 HA SER 13 10.584 5.770 -14.817
79 HB2 SER 13 HB2 SER 13 13.463 6.469 -15.205
80 HB3 SER 13 HB3 SER 13 12.469 6.027 -16.622
81 HG SER 13 HG SER 13 12.519 8.351 -15.997
82 H CYS 14 H CYS 14 10.004 4.015 -15.863
83 HA CYS 14 HA CYS 14 11.963 1.746 -16.071
84 HB2 CYS 14 HB2 CYS 14 9.991 0.253 -15.450
85 HB3 CYS 14 HB3 CYS 14 10.526 1.361 -14.131
86 H SER 15 H SER 15 11.099 0.036 -17.468
87 HA SER 15 HA SER 15 9.297 1.049 -19.677
88 HB2 SER 15 HB2 SER 15 11.592 -0.958 -20.020
89 HB3 SER 15 HB3 SER 15 10.662 -0.193 -21.274
90 HG SER 15 HG SER 15 12.875 0.647 -19.867
91 H GLN 16 H GLN 16 10.189 -1.384 -17.320
92 HA GLN 16 HA GLN 16 7.852 -3.071 -18.100
93 HB2 GLN 16 HB2 GLN 16 9.113 -5.111 -18.233
94 HB3 GLN 16 HB3 GLN 16 9.900 -3.934 -19.328
95 HG2 GLN 16 HG2 GLN 16 11.271 -3.563 -17.001
96 HG3 GLN 16 HG3 GLN 16 10.862 -5.257 -16.905
97 HE21 GLN 16 HE21 GLN 16 13.209 -3.162 -17.798
98 HE22 GLN 16 HE22 GLN 16 14.016 -4.079 -19.099
99 H ASP 17 H ASP 17 7.315 -4.645 -16.442
100 HA ASP 17 HA ASP 17 7.305 -3.420 -13.847
101 HB2 ASP 17 HB2 ASP 17 6.680 -6.294 -14.686
102 HB3 ASP 17 HB3 ASP 17 6.343 -5.594 -13.075
103 H SER 18 H SER 18 9.589 -5.773 -15.281
104 HA SER 18 HA SER 18 10.482 -6.649 -12.607
105 HB2 SER 18 HB2 SER 18 12.379 -7.634 -13.701
106 HB3 SER 18 HB3 SER 18 10.902 -8.066 -14.565
107 HG SER 18 HG SER 18 13.018 -7.137 -15.636
108 H ASP 19 H ASP 19 10.889 -3.696 -14.415
109 HA ASP 19 HA ASP 19 13.538 -2.994 -13.255
110 HB2 ASP 19 HB2 ASP 19 11.254 -1.195 -14.196
111 HB3 ASP 19 HB3 ASP 19 12.888 -0.683 -13.780
112 H CYS 20 H CYS 20 10.216 -3.310 -12.116
113 HA CYS 20 HA CYS 20 10.710 -1.269 -10.005
114 HB2 CYS 20 HB2 CYS 20 8.167 -2.803 -10.642
115 HB3 CYS 20 HB3 CYS 20 8.310 -1.387 -9.605
116 H LEU 21 H LEU 21 9.639 -1.780 -7.832
117 HA LEU 21 HA LEU 21 11.050 -4.017 -6.706
118 HB2 LEU 21 HB2 LEU 21 8.974 -2.162 -5.609
119 HB3 LEU 21 HB3 LEU 21 9.925 -3.278 -4.613
120 HG LEU 21 HG LEU 21 11.162 -1.041 -6.273
121 HD11 LEU 21 HD11 LEU 21 11.334 0.250 -4.195
122 HD12 LEU 21 HD12 LEU 21 10.494 -1.039 -3.289
123 HD13 LEU 21 HD13 LEU 21 9.611 -0.137 -4.489
124 HD21 LEU 21 HD21 LEU 21 12.259 -2.934 -4.195
125 HD22 LEU 21 HD22 LEU 21 13.016 -1.358 -4.510
126 HD23 LEU 21 HD23 LEU 21 12.892 -2.536 -5.815
127 H ALA 22 H ALA 22 9.840 -5.545 -5.188
128 HA ALA 22 HA ALA 22 8.126 -7.099 -6.801
129 HB1 ALA 22 HB1 ALA 22 7.774 -8.462 -4.780
130 HB2 ALA 22 HB2 ALA 22 9.492 -8.006 -4.989
131 HB3 ALA 22 HB3 ALA 22 8.426 -7.174 -3.774
132 H GLY 23 H GLY 23 5.979 -7.010 -7.321
133 HA2 GLY 23 HA2 GLY 23 3.744 -6.903 -6.866
134 HA3 GLY 23 HA3 GLY 23 4.014 -6.169 -5.302
135 H CYS 24 H CYS 24 5.968 -4.423 -7.325
136 HA CYS 24 HA CYS 24 3.861 -2.367 -7.834
137 HB2 CYS 24 HB2 CYS 24 6.840 -2.108 -8.110
138 HB3 CYS 24 HB3 CYS 24 5.688 -0.811 -7.835
139 H VAL 25 H VAL 25 3.956 -1.341 -9.958
140 HA VAL 25 HA VAL 25 5.069 -3.166 -12.116
141 HB VAL 25 HB VAL 25 2.925 -2.547 -13.459
142 HG11 VAL 25 HG11 VAL 25 2.504 -4.033 -10.849
143 HG12 VAL 25 HG12 VAL 25 1.413 -4.031 -12.258
144 HG13 VAL 25 HG13 VAL 25 3.079 -4.672 -12.421
145 HG21 VAL 25 HG21 VAL 25 0.941 -1.556 -12.253
146 HG22 VAL 25 HG22 VAL 25 1.836 -1.465 -10.730
147 HG23 VAL 25 HG23 VAL 25 2.294 -0.427 -12.090
148 H CYS 26 H CYS 26 5.086 -1.995 -14.277
149 HA CYS 26 HA CYS 26 6.158 0.738 -13.837
150 HB2 CYS 26 HB2 CYS 26 7.298 -0.956 -15.358
151 HB3 CYS 26 HB3 CYS 26 5.958 -0.829 -16.488
152 H GLY 27 H GLY 27 4.652 2.351 -13.866
153 HA2 GLY 27 HA2 GLY 27 1.952 1.805 -14.625
154 HA3 GLY 27 HA3 GLY 27 2.571 3.245 -13.830
155 HA PRO 28 HA PRO 28 1.639 4.001 -18.408
156 HB2 PRO 28 HB2 PRO 28 -0.341 5.794 -18.259
157 HB3 PRO 28 HB3 PRO 28 -0.669 3.978 -18.145
158 HG2 PRO 28 HG2 PRO 28 -0.465 5.994 -15.945
159 HG3 PRO 28 HG3 PRO 28 -1.701 4.694 -16.185
160 HD2 PRO 28 HD2 PRO 28 0.519 4.498 -14.542
161 HD3 PRO 28 HD3 PRO 28 -0.258 3.088 -15.397
162 H ASN 29 H ASN 29 2.346 5.906 -15.728
163 HA ASN 29 HA ASN 29 3.063 8.381 -17.148
164 HB2 ASN 29 HB2 ASN 29 3.876 9.055 -14.886
165 HB3 ASN 29 HB3 ASN 29 2.257 8.504 -14.793
166 HD21 ASN 29 HD21 ASN 29 3.539 8.554 -12.521
167 HD22 ASN 29 HD22 ASN 29 4.002 6.971 -11.982
168 H GLY 30 H GLY 30 4.385 5.289 -16.770
169 HA2 GLY 30 HA2 GLY 30 6.309 4.497 -17.801
170 HA3 GLY 30 HA3 GLY 30 6.843 6.183 -18.010
171 H PHE 31 H PHE 31 5.708 5.222 -14.970
172 HA PHE 31 HA PHE 31 8.489 5.007 -13.856
173 HB2 PHE 31 HB2 PHE 31 6.136 6.624 -12.880
174 HB3 PHE 31 HB3 PHE 31 7.331 6.175 -11.872
175 HD1 PHE 31 HD1 PHE 31 9.777 6.861 -12.377
176 HD2 PHE 31 HD2 PHE 31 6.344 8.575 -14.332
177 HE1 PHE 31 HE1 PHE 31 11.110 8.912 -12.984
178 HE2 PHE 31 HE2 PHE 31 7.673 10.640 -14.844
179 HZ PHE 31 HZ PHE 31 10.068 10.777 -14.191
180 H CYS 32 H CYS 32 8.719 3.720 -12.058
181 HA CYS 32 HA CYS 32 6.878 1.555 -11.699
182 HB2 CYS 32 HB2 CYS 32 9.017 2.711 -9.966
183 HB3 CYS 32 HB3 CYS 32 8.207 1.186 -9.563
184 H GLY 33 H GLY 33 5.365 1.046 -10.163
185 HA2 GLY 33 HA2 GLY 33 5.042 2.509 -7.692
186 HA3 GLY 33 HA3 GLY 33 3.799 3.027 -8.810
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -0.016 0.443 -1.492
2 H2 GLY 1 H2 GLY 1 0.890 -0.919 -1.555
3 H3 GLY 1 H3 GLY 1 1.142 0.211 -0.363
4 HA2 GLY 1 HA2 GLY 1 1.666 0.511 -3.232
5 HA3 GLY 1 HA3 GLY 1 1.660 1.870 -2.035
6 H CYS 2 H CYS 2 3.972 0.788 -3.625
7 HA CYS 2 HA CYS 2 5.741 -0.044 -1.326
8 HB2 CYS 2 HB2 CYS 2 7.377 -0.395 -3.365
9 HB3 CYS 2 HB3 CYS 2 6.102 -1.569 -3.119
10 HA PRO 3 HA PRO 3 7.398 4.011 -1.381
11 HB2 PRO 3 HB2 PRO 3 10.064 3.904 -0.964
12 HB3 PRO 3 HB3 PRO 3 8.863 3.349 0.241
13 HG2 PRO 3 HG2 PRO 3 10.372 1.769 -1.872
14 HG3 PRO 3 HG3 PRO 3 10.279 1.521 -0.075
15 HD2 PRO 3 HD2 PRO 3 8.717 0.157 -1.873
16 HD3 PRO 3 HD3 PRO 3 8.089 0.662 -0.231
17 H GLN 4 H GLN 4 6.775 3.707 -3.860
18 HA GLN 4 HA GLN 4 8.948 4.999 -5.434
19 HB2 GLN 4 HB2 GLN 4 6.739 3.117 -6.206
20 HB3 GLN 4 HB3 GLN 4 7.651 4.015 -7.418
21 HG2 GLN 4 HG2 GLN 4 9.007 2.071 -5.435
22 HG3 GLN 4 HG3 GLN 4 8.438 1.566 -7.026
23 HE21 GLN 4 HE21 GLN 4 10.976 1.154 -6.386
24 HE22 GLN 4 HE22 GLN 4 11.940 2.226 -7.352
25 H GLY 5 H GLY 5 6.424 5.496 -3.478
26 HA2 GLY 5 HA2 GLY 5 5.610 7.884 -5.030
27 HA3 GLY 5 HA3 GLY 5 4.296 6.719 -4.733
28 H ARG 6 H ARG 6 7.018 7.916 -2.796
29 HA ARG 6 HA ARG 6 5.049 8.671 -0.666
30 HB2 ARG 6 HB2 ARG 6 7.998 8.204 -0.307
31 HB3 ARG 6 HB3 ARG 6 6.809 8.477 0.965
32 HG2 ARG 6 HG2 ARG 6 6.787 6.011 -0.917
33 HG3 ARG 6 HG3 ARG 6 7.581 6.091 0.682
34 HD2 ARG 6 HD2 ARG 6 4.597 6.640 0.223
35 HD3 ARG 6 HD3 ARG 6 5.288 5.044 0.677
36 HE ARG 6 HE ARG 6 6.188 7.007 2.506
37 HH11 ARG 6 HH11 ARG 6 3.533 4.829 1.880
38 HH12 ARG 6 HH12 ARG 6 3.020 4.855 3.545
39 HH21 ARG 6 HH21 ARG 6 5.414 7.056 4.564
40 HH22 ARG 6 HH22 ARG 6 4.047 6.091 5.047
41 H GLY 7 H GLY 7 6.048 10.649 0.591
42 HA2 GLY 7 HA2 GLY 7 6.108 12.754 -1.220
43 HA3 GLY 7 HA3 GLY 7 6.604 12.892 0.492
44 H ASP 8 H ASP 8 8.990 11.400 0.531
45 HA ASP 8 HA ASP 8 10.694 13.048 -1.245
46 HB2 ASP 8 HB2 ASP 8 10.903 11.727 1.384
47 HB3 ASP 8 HB3 ASP 8 12.414 11.793 0.461
48 H TRP 9 H TRP 9 9.278 10.112 -1.561
49 HA TRP 9 HA TRP 9 11.641 8.849 -2.863
50 HB2 TRP 9 HB2 TRP 9 9.045 7.577 -1.907
51 HB3 TRP 9 HB3 TRP 9 10.165 6.848 -3.021
52 HD1 TRP 9 HD1 TRP 9 11.899 5.263 -1.981
53 HE1 TRP 9 HE1 TRP 9 12.999 4.975 0.345
54 HE3 TRP 9 HE3 TRP 9 9.721 9.248 0.425
55 HZ2 TRP 9 HZ2 TRP 9 12.894 6.276 2.847
56 HZ3 TRP 9 HZ3 TRP 9 10.248 9.699 2.775
57 HH2 TRP 9 HH2 TRP 9 11.891 8.230 4.011
58 H ALA 10 H ALA 10 11.552 10.137 -4.598
59 HA ALA 10 HA ALA 10 9.232 10.454 -6.258
60 HB1 ALA 10 HB1 ALA 10 12.158 10.560 -7.192
61 HB2 ALA 10 HB2 ALA 10 10.758 11.419 -7.864
62 HB3 ALA 10 HB3 ALA 10 11.394 11.898 -6.277
63 HA PRO 11 HA PRO 11 9.398 6.352 -7.798
64 HB2 PRO 11 HB2 PRO 11 8.364 6.508 -10.266
65 HB3 PRO 11 HB3 PRO 11 7.368 6.702 -8.800
66 HG2 PRO 11 HG2 PRO 11 8.358 8.853 -10.609
67 HG3 PRO 11 HG3 PRO 11 6.801 8.680 -9.761
68 HD2 PRO 11 HD2 PRO 11 8.796 10.274 -8.804
69 HD3 PRO 11 HD3 PRO 11 7.564 9.449 -7.744
70 H THR 12 H THR 12 10.147 4.825 -9.473
71 HA THR 12 HA THR 12 12.722 5.823 -10.665
72 HB THR 12 HB THR 12 11.681 2.972 -10.346
73 HG1 THR 12 HG1 THR 12 12.113 4.379 -8.387
74 HG21 THR 12 HG21 THR 12 13.447 2.967 -11.989
75 HG22 THR 12 HG22 THR 12 14.167 2.460 -10.430
76 HG23 THR 12 HG23 THR 12 14.410 4.125 -11.020
77 H SER 13 H SER 13 12.908 6.044 -12.922
78 HA SER 13 HA SER 13 10.612 5.653 -14.591
79 HB2 SER 13 HB2 SER 13 12.373 6.110 -16.426
80 HB3 SER 13 HB3 SER 13 12.253 7.398 -15.228
81 HG SER 13 HG SER 13 14.422 6.759 -15.746
82 H CYS 14 H CYS 14 10.087 3.987 -15.805
83 HA CYS 14 HA CYS 14 11.980 1.654 -16.025
84 HB2 CYS 14 HB2 CYS 14 10.008 0.146 -15.419
85 HB3 CYS 14 HB3 CYS 14 10.608 1.220 -14.075
86 H SER 15 H SER 15 11.093 0.019 -17.521
87 HA SER 15 HA SER 15 9.165 1.141 -19.546
88 HB2 SER 15 HB2 SER 15 11.486 -0.685 -20.277
89 HB3 SER 15 HB3 SER 15 10.508 0.275 -21.339
90 HG SER 15 HG SER 15 12.329 1.186 -19.363
91 H GLN 16 H GLN 16 10.024 -1.333 -17.334
92 HA GLN 16 HA GLN 16 7.691 -2.928 -18.163
93 HB2 GLN 16 HB2 GLN 16 8.865 -5.037 -18.180
94 HB3 GLN 16 HB3 GLN 16 9.612 -3.966 -19.388
95 HG2 GLN 16 HG2 GLN 16 11.414 -3.506 -17.751
96 HG3 GLN 16 HG3 GLN 16 10.645 -4.665 -16.666
97 HE21 GLN 16 HE21 GLN 16 13.344 -4.718 -17.715
98 HE22 GLN 16 HE22 GLN 16 13.476 -6.237 -18.623
99 H ASP 17 H ASP 17 7.028 -4.385 -16.480
100 HA ASP 17 HA ASP 17 7.195 -3.270 -13.842
101 HB2 ASP 17 HB2 ASP 17 6.529 -6.181 -14.691
102 HB3 ASP 17 HB3 ASP 17 6.251 -5.485 -13.081
103 H SER 18 H SER 18 9.244 -5.712 -15.518
104 HA SER 18 HA SER 18 10.310 -6.745 -12.976
105 HB2 SER 18 HB2 SER 18 10.461 -7.928 -15.254
106 HB3 SER 18 HB3 SER 18 11.764 -6.778 -15.649
107 HG SER 18 HG SER 18 11.725 -8.516 -13.370
108 H ASP 19 H ASP 19 10.804 -3.709 -14.562
109 HA ASP 19 HA ASP 19 13.561 -3.272 -13.589
110 HB2 ASP 19 HB2 ASP 19 11.469 -1.252 -14.410
111 HB3 ASP 19 HB3 ASP 19 13.204 -0.974 -14.191
112 H CYS 20 H CYS 20 10.448 -3.513 -12.112
113 HA CYS 20 HA CYS 20 11.105 -1.308 -10.212
114 HB2 CYS 20 HB2 CYS 20 8.477 -2.722 -10.677
115 HB3 CYS 20 HB3 CYS 20 8.725 -1.358 -9.609
116 H LEU 21 H LEU 21 10.011 -1.598 -7.972
117 HA LEU 21 HA LEU 21 11.390 -3.767 -6.681
118 HB2 LEU 21 HB2 LEU 21 9.374 -1.789 -5.728
119 HB3 LEU 21 HB3 LEU 21 10.250 -2.885 -4.641
120 HG LEU 21 HG LEU 21 11.530 -0.766 -6.388
121 HD11 LEU 21 HD11 LEU 21 10.071 0.206 -4.582
122 HD12 LEU 21 HD12 LEU 21 11.779 0.588 -4.369
123 HD13 LEU 21 HD13 LEU 21 11.012 -0.703 -3.351
124 HD21 LEU 21 HD21 LEU 21 12.630 -2.648 -4.284
125 HD22 LEU 21 HD22 LEU 21 13.451 -1.110 -4.665
126 HD23 LEU 21 HD23 LEU 21 13.249 -2.375 -5.951
127 H ALA 22 H ALA 22 10.176 -5.157 -5.046
128 HA ALA 22 HA ALA 22 8.470 -6.842 -6.552
129 HB1 ALA 22 HB1 ALA 22 9.857 -7.699 -4.752
130 HB2 ALA 22 HB2 ALA 22 8.996 -6.705 -3.543
131 HB3 ALA 22 HB3 ALA 22 8.162 -8.015 -4.378
132 H GLY 23 H GLY 23 6.327 -6.825 -7.000
133 HA2 GLY 23 HA2 GLY 23 4.113 -6.786 -6.469
134 HA3 GLY 23 HA3 GLY 23 4.393 -5.903 -4.978
135 H CYS 24 H CYS 24 6.244 -4.246 -7.043
136 HA CYS 24 HA CYS 24 4.157 -2.223 -7.656
137 HB2 CYS 24 HB2 CYS 24 7.106 -2.102 -8.289
138 HB3 CYS 24 HB3 CYS 24 5.992 -0.763 -8.041
139 H VAL 25 H VAL 25 4.157 -1.286 -9.807
140 HA VAL 25 HA VAL 25 4.976 -3.220 -11.989
141 HB VAL 25 HB VAL 25 2.775 -2.463 -13.213
142 HG11 VAL 25 HG11 VAL 25 2.983 -4.632 -12.140
143 HG12 VAL 25 HG12 VAL 25 2.379 -3.952 -10.616
144 HG13 VAL 25 HG13 VAL 25 1.340 -4.005 -12.091
145 HG21 VAL 25 HG21 VAL 25 1.924 -1.435 -10.382
146 HG22 VAL 25 HG22 VAL 25 2.405 -0.353 -11.680
147 HG23 VAL 25 HG23 VAL 25 0.955 -1.345 -11.862
148 H CYS 26 H CYS 26 4.831 -1.991 -14.191
149 HA CYS 26 HA CYS 26 6.041 0.729 -13.725
150 HB2 CYS 26 HB2 CYS 26 7.173 -0.974 -15.200
151 HB3 CYS 26 HB3 CYS 26 5.877 -0.843 -16.380
152 H GLY 27 H GLY 27 4.694 2.478 -14.042
153 HA2 GLY 27 HA2 GLY 27 1.932 1.961 -14.795
154 HA3 GLY 27 HA3 GLY 27 2.584 3.412 -14.061
155 HA PRO 28 HA PRO 28 1.989 4.052 -18.696
156 HB2 PRO 28 HB2 PRO 28 -0.076 5.726 -18.769
157 HB3 PRO 28 HB3 PRO 28 -0.347 3.901 -18.621
158 HG2 PRO 28 HG2 PRO 28 -0.412 5.991 -16.440
159 HG3 PRO 28 HG3 PRO 28 -1.568 4.650 -16.776
160 HD2 PRO 28 HD2 PRO 28 0.500 4.556 -14.921
161 HD3 PRO 28 HD3 PRO 28 -0.161 3.124 -15.821
162 H ASN 29 H ASN 29 2.443 5.904 -15.984
163 HA ASN 29 HA ASN 29 3.172 8.427 -17.290
164 HB2 ASN 29 HB2 ASN 29 3.872 9.048 -14.977
165 HB3 ASN 29 HB3 ASN 29 2.268 8.443 -14.957
166 HD21 ASN 29 HD21 ASN 29 3.377 8.400 -12.616
167 HD22 ASN 29 HD22 ASN 29 3.850 6.807 -12.099
168 H GLY 30 H GLY 30 4.541 5.310 -16.853
169 HA2 GLY 30 HA2 GLY 30 6.487 4.624 -17.925
170 HA3 GLY 30 HA3 GLY 30 7.028 6.325 -18.006
171 H PHE 31 H PHE 31 5.802 5.245 -15.058
172 HA PHE 31 HA PHE 31 8.558 4.996 -13.863
173 HB2 PHE 31 HB2 PHE 31 6.162 6.602 -12.984
174 HB3 PHE 31 HB3 PHE 31 7.283 6.122 -11.886
175 HD1 PHE 31 HD1 PHE 31 9.766 6.803 -12.257
176 HD2 PHE 31 HD2 PHE 31 6.482 8.492 -14.438
177 HE1 PHE 31 HE1 PHE 31 11.171 8.832 -12.845
178 HE2 PHE 31 HE2 PHE 31 7.846 10.505 -14.933
179 HZ PHE 31 HZ PHE 31 10.209 10.633 -14.164
180 H CYS 32 H CYS 32 8.712 3.741 -11.997
181 HA CYS 32 HA CYS 32 6.911 1.531 -11.712
182 HB2 CYS 32 HB2 CYS 32 8.832 2.760 -9.778
183 HB3 CYS 32 HB3 CYS 32 8.074 1.208 -9.500
184 H GLY 33 H GLY 33 5.412 1.016 -10.096
185 HA2 GLY 33 HA2 GLY 33 4.607 2.821 -8.007
186 HA3 GLY 33 HA3 GLY 33 3.550 3.087 -9.386
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 0.190 -1.392 -2.743
2 H2 GLY 1 H2 GLY 1 1.364 -2.185 -3.606
3 H3 GLY 1 H3 GLY 1 1.405 -2.176 -1.951
4 HA2 GLY 1 HA2 GLY 1 1.972 -0.056 -3.867
5 HA3 GLY 1 HA3 GLY 1 1.415 0.359 -2.206
6 H CYS 2 H CYS 2 4.086 1.003 -3.336
7 HA CYS 2 HA CYS 2 5.728 -0.335 -1.253
8 HB2 CYS 2 HB2 CYS 2 7.526 -0.735 -2.991
9 HB3 CYS 2 HB3 CYS 2 6.148 -1.798 -3.074
10 HA PRO 3 HA PRO 3 7.303 3.779 -1.183
11 HB2 PRO 3 HB2 PRO 3 9.938 3.693 -0.563
12 HB3 PRO 3 HB3 PRO 3 8.651 3.138 0.551
13 HG2 PRO 3 HG2 PRO 3 10.294 1.488 -1.415
14 HG3 PRO 3 HG3 PRO 3 10.103 1.286 0.387
15 HD2 PRO 3 HD2 PRO 3 8.615 -0.099 -1.481
16 HD3 PRO 3 HD3 PRO 3 7.888 0.491 0.092
17 H GLN 4 H GLN 4 6.866 3.521 -3.704
18 HA GLN 4 HA GLN 4 9.214 4.652 -5.130
19 HB2 GLN 4 HB2 GLN 4 6.927 2.937 -6.002
20 HB3 GLN 4 HB3 GLN 4 7.807 3.876 -7.199
21 HG2 GLN 4 HG2 GLN 4 9.331 1.933 -5.367
22 HG3 GLN 4 HG3 GLN 4 8.503 1.336 -6.840
23 HE21 GLN 4 HE21 GLN 4 10.897 0.722 -6.928
24 HE22 GLN 4 HE22 GLN 4 11.766 1.779 -7.980
25 H GLY 5 H GLY 5 6.534 5.363 -3.422
26 HA2 GLY 5 HA2 GLY 5 6.232 7.876 -4.974
27 HA3 GLY 5 HA3 GLY 5 4.765 6.861 -4.862
28 H ARG 6 H ARG 6 7.286 7.685 -2.552
29 HA ARG 6 HA ARG 6 5.135 8.555 -0.665
30 HB2 ARG 6 HB2 ARG 6 8.027 7.936 0.023
31 HB3 ARG 6 HB3 ARG 6 6.703 8.281 1.140
32 HG2 ARG 6 HG2 ARG 6 6.901 5.788 -0.680
33 HG3 ARG 6 HG3 ARG 6 7.319 5.883 1.055
34 HD2 ARG 6 HD2 ARG 6 4.545 6.652 0.011
35 HD3 ARG 6 HD3 ARG 6 4.993 4.943 0.399
36 HE ARG 6 HE ARG 6 5.717 6.449 2.642
37 HH11 ARG 6 HH11 ARG 6 2.788 5.364 1.084
38 HH12 ARG 6 HH12 ARG 6 1.905 5.404 2.564
39 HH21 ARG 6 HH21 ARG 6 4.505 6.597 4.459
40 HH22 ARG 6 HH22 ARG 6 2.827 6.084 4.478
41 H GLY 7 H GLY 7 5.881 10.466 0.647
42 HA2 GLY 7 HA2 GLY 7 6.170 12.665 -0.931
43 HA3 GLY 7 HA3 GLY 7 6.697 12.636 0.769
44 H ASP 8 H ASP 8 9.101 11.270 0.726
45 HA ASP 8 HA ASP 8 10.737 12.814 -1.194
46 HB2 ASP 8 HB2 ASP 8 11.195 11.577 1.474
47 HB3 ASP 8 HB3 ASP 8 12.583 11.872 0.450
48 H TRP 9 H TRP 9 9.265 10.069 -1.677
49 HA TRP 9 HA TRP 9 11.673 8.663 -2.777
50 HB2 TRP 9 HB2 TRP 9 9.071 7.500 -1.732
51 HB3 TRP 9 HB3 TRP 9 10.093 6.668 -2.899
52 HD1 TRP 9 HD1 TRP 9 11.864 5.128 -1.901
53 HE1 TRP 9 HE1 TRP 9 13.046 4.850 0.369
54 HE3 TRP 9 HE3 TRP 9 9.796 9.118 0.520
55 HZ2 TRP 9 HZ2 TRP 9 13.084 6.217 2.866
56 HZ3 TRP 9 HZ3 TRP 9 10.386 9.573 2.824
57 HH2 TRP 9 HH2 TRP 9 12.081 8.167 4.031
58 H ALA 10 H ALA 10 11.614 10.026 -4.471
59 HA ALA 10 HA ALA 10 9.326 10.387 -6.223
60 HB1 ALA 10 HB1 ALA 10 11.043 11.209 -7.887
61 HB2 ALA 10 HB2 ALA 10 11.223 12.002 -6.274
62 HB3 ALA 10 HB3 ALA 10 12.339 10.679 -6.752
63 HA PRO 11 HA PRO 11 9.617 6.327 -7.828
64 HB2 PRO 11 HB2 PRO 11 8.456 6.469 -10.265
65 HB3 PRO 11 HB3 PRO 11 7.544 6.674 -8.746
66 HG2 PRO 11 HG2 PRO 11 8.398 8.840 -10.615
67 HG3 PRO 11 HG3 PRO 11 6.875 8.651 -9.691
68 HD2 PRO 11 HD2 PRO 11 8.908 10.257 -8.822
69 HD3 PRO 11 HD3 PRO 11 7.745 9.430 -7.710
70 H THR 12 H THR 12 10.305 4.862 -9.613
71 HA THR 12 HA THR 12 12.772 5.973 -10.880
72 HB THR 12 HB THR 12 11.843 3.124 -10.448
73 HG1 THR 12 HG1 THR 12 12.341 4.669 -8.585
74 HG21 THR 12 HG21 THR 12 13.592 3.136 -12.147
75 HG22 THR 12 HG22 THR 12 14.354 2.656 -10.608
76 HG23 THR 12 HG23 THR 12 14.522 4.299 -11.222
77 H SER 13 H SER 13 12.925 6.051 -13.159
78 HA SER 13 HA SER 13 10.540 5.585 -14.730
79 HB2 SER 13 HB2 SER 13 12.227 6.027 -16.654
80 HB3 SER 13 HB3 SER 13 12.059 7.350 -15.517
81 HG SER 13 HG SER 13 14.263 6.776 -16.061
82 H CYS 14 H CYS 14 10.103 3.919 -15.988
83 HA CYS 14 HA CYS 14 12.017 1.597 -16.042
84 HB2 CYS 14 HB2 CYS 14 9.950 0.145 -15.451
85 HB3 CYS 14 HB3 CYS 14 10.543 1.218 -14.116
86 H SER 15 H SER 15 11.181 -0.069 -17.519
87 HA SER 15 HA SER 15 9.272 0.871 -19.594
88 HB2 SER 15 HB2 SER 15 11.759 -0.737 -20.219
89 HB3 SER 15 HB3 SER 15 10.689 -0.013 -21.356
90 HG SER 15 HG SER 15 12.663 1.169 -21.027
91 H GLN 16 H GLN 16 10.165 -1.431 -17.315
92 HA GLN 16 HA GLN 16 7.943 -3.172 -18.205
93 HB2 GLN 16 HB2 GLN 16 9.151 -5.225 -18.121
94 HB3 GLN 16 HB3 GLN 16 9.971 -4.163 -19.273
95 HG2 GLN 16 HG2 GLN 16 11.565 -3.544 -17.455
96 HG3 GLN 16 HG3 GLN 16 10.780 -4.795 -16.505
97 HE21 GLN 16 HE21 GLN 16 13.500 -4.892 -16.966
98 HE22 GLN 16 HE22 GLN 16 13.873 -6.234 -18.050
99 H ASP 17 H ASP 17 7.276 -4.581 -16.477
100 HA ASP 17 HA ASP 17 7.252 -3.314 -13.914
101 HB2 ASP 17 HB2 ASP 17 6.641 -6.265 -14.548
102 HB3 ASP 17 HB3 ASP 17 6.190 -5.347 -13.079
103 H SER 18 H SER 18 9.402 -5.752 -15.346
104 HA SER 18 HA SER 18 10.409 -6.743 -12.797
105 HB2 SER 18 HB2 SER 18 10.758 -7.933 -15.010
106 HB3 SER 18 HB3 SER 18 11.823 -6.605 -15.543
107 HG SER 18 HG SER 18 12.958 -8.489 -14.704
108 H ASP 19 H ASP 19 10.964 -3.694 -14.500
109 HA ASP 19 HA ASP 19 13.579 -3.149 -13.310
110 HB2 ASP 19 HB2 ASP 19 11.465 -1.224 -14.361
111 HB3 ASP 19 HB3 ASP 19 13.146 -0.805 -13.972
112 H CYS 20 H CYS 20 10.405 -3.424 -11.966
113 HA CYS 20 HA CYS 20 10.916 -1.162 -10.090
114 HB2 CYS 20 HB2 CYS 20 8.362 -2.729 -10.530
115 HB3 CYS 20 HB3 CYS 20 8.522 -1.276 -9.575
116 H LEU 21 H LEU 21 9.600 -1.698 -7.818
117 HA LEU 21 HA LEU 21 11.105 -3.849 -6.617
118 HB2 LEU 21 HB2 LEU 21 9.037 -1.902 -5.607
119 HB3 LEU 21 HB3 LEU 21 9.714 -3.166 -4.596
120 HG LEU 21 HG LEU 21 11.360 -1.010 -5.945
121 HD11 LEU 21 HD11 LEU 21 9.644 -0.085 -4.317
122 HD12 LEU 21 HD12 LEU 21 11.306 0.198 -3.817
123 HD13 LEU 21 HD13 LEU 21 10.341 -1.103 -3.047
124 HD21 LEU 21 HD21 LEU 21 12.013 -3.079 -3.806
125 HD22 LEU 21 HD22 LEU 21 12.959 -1.608 -3.947
126 HD23 LEU 21 HD23 LEU 21 12.883 -2.728 -5.310
127 H ALA 22 H ALA 22 9.868 -5.461 -5.184
128 HA ALA 22 HA ALA 22 8.135 -6.913 -6.935
129 HB1 ALA 22 HB1 ALA 22 9.598 -8.035 -5.373
130 HB2 ALA 22 HB2 ALA 22 8.762 -7.295 -3.987
131 HB3 ALA 22 HB3 ALA 22 7.938 -8.498 -4.978
132 H GLY 23 H GLY 23 5.947 -6.874 -7.233
133 HA2 GLY 23 HA2 GLY 23 3.762 -6.810 -6.578
134 HA3 GLY 23 HA3 GLY 23 4.156 -6.136 -5.000
135 H CYS 24 H CYS 24 5.896 -4.609 -7.493
136 HA CYS 24 HA CYS 24 3.821 -2.429 -7.795
137 HB2 CYS 24 HB2 CYS 24 6.801 -2.064 -8.123
138 HB3 CYS 24 HB3 CYS 24 5.574 -0.879 -7.688
139 H VAL 25 H VAL 25 3.947 -1.365 -9.904
140 HA VAL 25 HA VAL 25 5.086 -3.166 -12.049
141 HB VAL 25 HB VAL 25 2.922 -2.618 -13.395
142 HG11 VAL 25 HG11 VAL 25 2.609 -4.204 -10.801
143 HG12 VAL 25 HG12 VAL 25 1.502 -4.260 -12.240
144 HG13 VAL 25 HG13 VAL 25 3.193 -4.788 -12.374
145 HG21 VAL 25 HG21 VAL 25 2.157 -0.557 -12.081
146 HG22 VAL 25 HG22 VAL 25 0.886 -1.761 -12.182
147 HG23 VAL 25 HG23 VAL 25 1.809 -1.595 -10.643
148 H CYS 26 H CYS 26 5.066 -1.998 -14.232
149 HA CYS 26 HA CYS 26 6.117 0.765 -13.827
150 HB2 CYS 26 HB2 CYS 26 7.247 -0.977 -15.266
151 HB3 CYS 26 HB3 CYS 26 5.919 -0.894 -16.392
152 H GLY 27 H GLY 27 4.542 2.286 -13.759
153 HA2 GLY 27 HA2 GLY 27 1.895 1.713 -14.715
154 HA3 GLY 27 HA3 GLY 27 2.382 3.118 -13.741
155 HA PRO 28 HA PRO 28 1.728 4.290 -18.265
156 HB2 PRO 28 HB2 PRO 28 -0.344 5.966 -18.089
157 HB3 PRO 28 HB3 PRO 28 -0.579 4.140 -18.197
158 HG2 PRO 28 HG2 PRO 28 -0.669 5.890 -15.774
159 HG3 PRO 28 HG3 PRO 28 -1.778 4.589 -16.281
160 HD2 PRO 28 HD2 PRO 28 0.326 4.317 -14.486
161 HD3 PRO 28 HD3 PRO 28 -0.310 2.961 -15.504
162 H ASN 29 H ASN 29 2.197 5.906 -15.385
163 HA ASN 29 HA ASN 29 2.853 8.536 -16.353
164 HB2 ASN 29 HB2 ASN 29 2.270 7.915 -13.915
165 HB3 ASN 29 HB3 ASN 29 3.857 7.077 -13.875
166 HD21 ASN 29 HD21 ASN 29 4.303 8.530 -12.136
167 HD22 ASN 29 HD22 ASN 29 4.832 10.137 -12.439
168 H GLY 30 H GLY 30 4.282 5.453 -16.501
169 HA2 GLY 30 HA2 GLY 30 6.147 4.901 -17.835
170 HA3 GLY 30 HA3 GLY 30 6.570 6.619 -17.873
171 H PHE 31 H PHE 31 5.679 5.283 -14.951
172 HA PHE 31 HA PHE 31 8.497 5.113 -13.933
173 HB2 PHE 31 HB2 PHE 31 6.159 6.807 -12.949
174 HB3 PHE 31 HB3 PHE 31 7.275 6.281 -11.862
175 HD1 PHE 31 HD1 PHE 31 9.816 6.739 -12.361
176 HD2 PHE 31 HD2 PHE 31 6.559 8.788 -14.280
177 HE1 PHE 31 HE1 PHE 31 11.333 8.690 -12.906
178 HE2 PHE 31 HE2 PHE 31 8.054 10.738 -14.739
179 HZ PHE 31 HZ PHE 31 10.445 10.652 -14.065
180 H CYS 32 H CYS 32 8.703 3.807 -12.106
181 HA CYS 32 HA CYS 32 6.869 1.583 -11.783
182 HB2 CYS 32 HB2 CYS 32 8.968 2.733 -9.987
183 HB3 CYS 32 HB3 CYS 32 8.148 1.211 -9.644
184 H GLY 33 H GLY 33 5.370 1.106 -10.196
185 HA2 GLY 33 HA2 GLY 33 4.938 2.800 -7.842
186 HA3 GLY 33 HA3 GLY 33 3.688 3.078 -9.035
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