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 |
|
|
603898 |
2n1s   |
25574 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855
2 HA ALA 1 HA ALA 1 1.842 -0.899 -1.787
3 HB1 ALA 1 1HB ALA 1 0.654 1.145 -2.333
4 HB2 ALA 1 2HB ALA 1 1.915 2.107 -1.558
5 HB3 ALA 1 3HB ALA 1 2.281 1.181 -3.014
6 H ALA 2 H ALA 2 3.515 1.929 -0.424
7 HA ALA 2 HA ALA 2 5.839 0.409 0.302
8 HB1 ALA 2 1HB ALA 2 6.373 0.398 -1.984
9 HB2 ALA 2 2HB ALA 2 5.864 2.074 -2.198
10 HB3 ALA 2 3HB ALA 2 7.335 1.707 -1.297
11 H GLY 3 H GLY 3 5.431 3.735 -0.917
12 HA2 GLY 3 2HA GLY 3 5.027 5.560 0.670
13 HA3 GLY 3 3HA GLY 3 6.041 4.691 1.811
14 H GLN 4 H GLN 4 6.124 7.421 0.387
15 HA GLN 4 HA GLN 4 8.686 7.249 -0.981
16 HB2 GLN 4 2HB GLN 4 6.951 9.661 -0.425
17 HB3 GLN 4 3HB GLN 4 8.356 9.618 -1.481
18 HG2 GLN 4 2HG GLN 4 7.174 8.831 -3.187
19 HG3 GLN 4 3HG GLN 4 6.394 7.606 -2.187
20 HE21 GLN 4 1HE2 GLN 4 4.388 7.983 -1.361
21 HE22 GLN 4 2HE2 GLN 4 3.432 9.364 -1.765
22 H CYS 5 H CYS 5 10.586 8.152 -0.265
23 HA CYS 5 HA CYS 5 10.977 8.270 2.540
24 HB2 CYS 5 2HB CYS 5 12.862 9.320 0.426
25 HB3 CYS 5 3HB CYS 5 13.271 8.754 2.042
26 H TYR 6 H TYR 6 11.634 10.049 3.828
27 HA TYR 6 HA TYR 6 10.562 12.617 2.872
28 HB2 TYR 6 2HB TYR 6 10.644 11.303 5.555
29 HB3 TYR 6 3HB TYR 6 10.650 13.062 5.476
30 HD1 TYR 6 HD2 TYR 6 8.736 10.051 4.459
31 HD2 TYR 6 HD1 TYR 6 8.659 14.258 5.089
32 HE1 TYR 6 HE2 TYR 6 6.290 10.040 4.194
33 HE2 TYR 6 HE1 TYR 6 6.214 14.259 4.827
34 HH TYR 6 HH TYR 6 4.364 12.903 4.807
35 H ARG 7 H ARG 7 12.056 14.032 2.283
36 HA ARG 7 HA ARG 7 14.064 15.101 2.073
37 HB2 ARG 7 2HB ARG 7 13.066 15.896 4.307
38 HB3 ARG 7 3HB ARG 7 14.267 14.859 5.065
39 HG2 ARG 7 2HG ARG 7 16.022 16.184 4.425
40 HG3 ARG 7 3HG ARG 7 15.160 16.837 3.030
41 HD2 ARG 7 2HD ARG 7 13.729 17.572 5.366
42 HD3 ARG 7 3HD ARG 7 15.431 17.943 5.636
43 HE ARG 7 HE ARG 7 14.674 18.865 3.091
44 HH11 ARG 7 1HH1 ARG 7 14.160 19.554 6.465
45 HH12 ARG 7 2HH1 ARG 7 13.871 21.243 6.210
46 HH21 ARG 7 1HH2 ARG 7 14.296 21.088 2.743
47 HH22 ARG 7 2HH2 ARG 7 13.948 22.114 4.093
48 H GLY 8 H GLY 8 14.308 12.354 1.671
49 HA2 GLY 8 2HA GLY 8 16.006 10.829 1.368
50 HA3 GLY 8 3HA GLY 8 17.111 12.015 2.048
51 H ARG 9 H ARG 9 14.281 10.825 3.737
52 HA ARG 9 HA ARG 9 15.871 8.986 5.333
53 HB2 ARG 9 2HB ARG 9 15.859 11.470 6.256
54 HB3 ARG 9 3HB ARG 9 14.282 10.992 6.867
55 HG2 ARG 9 2HG ARG 9 15.346 10.181 8.635
56 HG3 ARG 9 3HG ARG 9 15.930 8.892 7.581
57 HD2 ARG 9 2HD ARG 9 17.841 10.446 6.979
58 HD3 ARG 9 3HD ARG 9 17.310 11.460 8.321
59 HE ARG 9 HE ARG 9 17.724 8.726 9.073
60 HH11 ARG 9 1HH1 ARG 9 19.280 11.796 8.550
61 HH12 ARG 9 2HH1 ARG 9 20.605 11.453 9.612
62 HH21 ARG 9 1HH2 ARG 9 19.464 8.262 10.475
63 HH22 ARG 9 2HH2 ARG 9 20.709 9.442 10.706
64 H CYS 10 H CYS 10 14.706 7.285 6.016
65 HA CYS 10 HA CYS 10 11.777 7.443 5.728
66 HB2 CYS 10 2HB CYS 10 13.683 5.172 5.171
67 HB3 CYS 10 3HB CYS 10 11.949 4.923 5.353
68 H SER 11 H SER 11 10.496 6.252 7.216
69 HA SER 11 HA SER 11 11.697 6.114 9.858
70 HB2 SER 11 2HB SER 11 8.819 5.778 8.980
71 HB3 SER 11 3HB SER 11 9.373 5.843 10.652
72 HG SER 11 HG SER 11 9.169 7.880 8.757
73 H GLY 12 H GLY 12 10.407 4.234 11.211
74 HA2 GLY 12 2HA GLY 12 10.434 1.994 11.707
75 HA3 GLY 12 3HA GLY 12 9.981 1.746 10.027
76 H GLY 13 H GLY 13 12.954 3.376 10.710
77 HA2 GLY 13 2HA GLY 13 15.141 2.788 10.344
78 HA3 GLY 13 3HA GLY 13 14.698 1.200 10.953
79 H LEU 14 H LEU 14 12.975 2.339 8.210
80 HA LEU 14 HA LEU 14 13.971 0.188 6.603
81 HB2 LEU 14 2HB LEU 14 12.004 2.404 6.183
82 HB3 LEU 14 3HB LEU 14 12.537 1.413 4.826
83 HG LEU 14 HG LEU 14 11.158 0.383 7.305
84 HD11 LEU 14 1HD1 LEU 14 9.499 -0.140 5.233
85 HD12 LEU 14 2HD1 LEU 14 10.171 1.412 4.737
86 HD13 LEU 14 3HD1 LEU 14 9.356 1.262 6.293
87 HD21 LEU 14 3HD2 LEU 14 11.731 -1.659 6.654
88 HD22 LEU 14 1HD2 LEU 14 12.768 -0.941 5.420
89 HD23 LEU 14 2HD2 LEU 14 11.099 -1.362 5.034
90 H CYS 15 H CYS 15 14.423 0.829 4.165
91 HA CYS 15 HA CYS 15 16.523 2.898 4.210
92 HB2 CYS 15 2HB CYS 15 16.429 0.225 2.821
93 HB3 CYS 15 3HB CYS 15 17.548 1.492 2.329
94 H CYS 16 H CYS 16 16.822 4.157 2.334
95 HA CYS 16 HA CYS 16 14.372 4.574 0.833
96 HB2 CYS 16 2HB CYS 16 15.851 6.415 1.872
97 HB3 CYS 16 3HB CYS 16 16.917 6.145 0.497
98 H SER 17 H SER 17 14.020 3.864 -1.163
99 HA SER 17 HA SER 17 16.077 2.374 -2.535
100 HB2 SER 17 2HB SER 17 14.371 1.568 -3.934
101 HB3 SER 17 3HB SER 17 13.558 1.794 -2.385
102 HG SER 17 HG SER 17 12.298 3.174 -3.322
103 H LYS 18 H LYS 18 16.270 2.699 -4.974
104 HA LYS 18 HA LYS 18 17.285 5.309 -5.445
105 HB2 LYS 18 2HB LYS 18 18.251 3.296 -6.481
106 HB3 LYS 18 3HB LYS 18 16.771 3.059 -7.400
107 HG2 LYS 18 2HG LYS 18 17.165 4.943 -8.735
108 HG3 LYS 18 3HG LYS 18 18.385 5.576 -7.629
109 HD2 LYS 18 2HD LYS 18 18.814 2.917 -8.917
110 HD3 LYS 18 3HD LYS 18 19.094 4.388 -9.853
111 HE2 LYS 18 2HE LYS 18 20.998 4.833 -8.770
112 HE3 LYS 18 3HE LYS 18 20.278 4.497 -7.197
113 HZ1 LYS 18 3HZ LYS 18 21.506 2.666 -7.174
114 HZ2 LYS 18 1HZ LYS 18 21.963 2.850 -8.793
115 HZ3 LYS 18 2HZ LYS 18 20.525 2.048 -8.406
116 H TYR 19 H TYR 19 14.172 4.085 -5.573
117 HA TYR 19 HA TYR 19 13.304 5.989 -7.627
118 HB2 TYR 19 2HB TYR 19 12.129 3.506 -6.457
119 HB3 TYR 19 3HB TYR 19 11.037 4.729 -7.097
120 HD1 TYR 19 HD2 TYR 19 11.418 5.498 -9.517
121 HD2 TYR 19 HD1 TYR 19 13.154 1.970 -7.890
122 HE1 TYR 19 HE2 TYR 19 11.772 4.631 -11.791
123 HE2 TYR 19 HE1 TYR 19 13.514 1.094 -10.160
124 HH TYR 19 HH TYR 19 13.554 1.654 -12.365
125 H GLY 20 H GLY 20 13.949 6.171 -4.504
126 HA2 GLY 20 2HA GLY 20 13.377 7.836 -2.992
127 HA3 GLY 20 3HA GLY 20 12.086 8.334 -4.075
128 H TYR 21 H TYR 21 11.970 5.026 -3.519
129 HA TYR 21 HA TYR 21 9.791 5.407 -1.585
130 HB2 TYR 21 2HB TYR 21 10.320 2.990 -3.320
131 HB3 TYR 21 3HB TYR 21 8.872 3.324 -2.377
132 HD1 TYR 21 HD2 TYR 21 8.395 6.164 -3.058
133 HD2 TYR 21 HD1 TYR 21 9.558 2.897 -5.524
134 HE1 TYR 21 HE2 TYR 21 7.382 7.278 -5.002
135 HE2 TYR 21 HE1 TYR 21 8.549 4.003 -7.475
136 HH TYR 21 HH TYR 21 7.012 5.666 -8.059
137 H CYS 22 H CYS 22 9.783 4.396 0.357
138 HA CYS 22 HA CYS 22 12.274 3.356 1.329
139 HB2 CYS 22 2HB CYS 22 9.624 3.333 2.774
140 HB3 CYS 22 3HB CYS 22 11.237 3.317 3.479
141 H GLY 23 H GLY 23 12.586 1.280 2.305
142 HA2 GLY 23 2HA GLY 23 10.788 -0.840 2.284
143 HA3 GLY 23 3HA GLY 23 11.598 -0.858 0.724
144 H SER 24 H SER 24 12.432 -2.941 1.343
145 HA SER 24 HA SER 24 14.824 -2.691 3.036
146 HB2 SER 24 2HB SER 24 12.941 -3.905 4.209
147 HB3 SER 24 3HB SER 24 13.073 -5.155 2.972
148 HG SER 24 HG SER 24 14.589 -4.763 5.166
149 H GLY 25 H GLY 25 15.948 -5.123 2.715
150 HA2 GLY 25 2HA GLY 25 16.785 -6.665 1.146
151 HA3 GLY 25 3HA GLY 25 15.989 -5.762 -0.134
152 HA PRO 26 HA PRO 26 20.453 -4.665 0.032
153 HB2 PRO 26 2HB PRO 26 21.406 -6.006 -2.150
154 HB3 PRO 26 3HB PRO 26 21.546 -6.616 -0.513
155 HG2 PRO 26 2HG PRO 26 19.715 -7.486 -2.665
156 HG3 PRO 26 3HG PRO 26 20.168 -8.334 -1.199
157 HD2 PRO 26 2HD PRO 26 17.700 -6.958 -1.693
158 HD3 PRO 26 3HD PRO 26 18.200 -7.705 -0.189
159 H ALA 27 H ALA 27 18.090 -4.798 -2.333
160 HA ALA 27 HA ALA 27 19.321 -2.865 -4.077
161 HB1 ALA 27 1HB ALA 27 17.416 -3.078 -5.439
162 HB2 ALA 27 2HB ALA 27 17.698 -4.689 -4.778
163 HB3 ALA 27 3HB ALA 27 16.427 -3.670 -4.104
164 H TYR 28 H TYR 28 17.900 -2.618 -1.109
165 HA TYR 28 HA TYR 28 16.935 0.114 -1.651
166 HB2 TYR 28 2HB TYR 28 16.002 -1.949 0.333
167 HB3 TYR 28 3HB TYR 28 15.648 -0.239 0.550
168 HD1 TYR 28 HD2 TYR 28 15.511 -2.706 -2.264
169 HD2 TYR 28 HD1 TYR 28 13.540 0.390 -0.112
170 HE1 TYR 28 HE2 TYR 28 13.559 -2.928 -3.744
171 HE2 TYR 28 HE1 TYR 28 11.582 0.176 -1.586
172 HH TYR 28 HH TYR 28 10.826 -2.258 -3.296
173 H CYS 29 H CYS 29 18.709 -1.954 0.595
174 HA CYS 29 HA CYS 29 19.657 0.384 2.068
175 HB2 CYS 29 2HB CYS 29 19.894 -2.585 2.551
176 HB3 CYS 29 3HB CYS 29 20.763 -1.396 3.515
177 H GLY 30 H GLY 30 20.694 -1.906 -0.307
178 HA2 GLY 30 2HA GLY 30 23.513 -1.463 0.071
179 HA3 GLY 30 3HA GLY 30 22.760 -2.327 -1.261
Start of MODEL 2
1 H1 ALA 1 H ALA 1 0.208 0.127 -1.931
2 HA ALA 1 HA ALA 1 2.612 1.143 -2.845
3 HB1 ALA 1 1HB ALA 1 1.992 3.068 -1.145
4 HB2 ALA 1 2HB ALA 1 1.050 2.788 -2.609
5 HB3 ALA 1 3HB ALA 1 0.474 2.174 -1.060
6 H ALA 2 H ALA 2 4.627 1.152 -2.095
7 HA ALA 2 HA ALA 2 5.252 -0.089 0.415
8 HB1 ALA 2 1HB ALA 2 7.293 1.379 -1.189
9 HB2 ALA 2 2HB ALA 2 7.436 -0.136 -0.298
10 HB3 ALA 2 3HB ALA 2 6.579 -0.098 -1.839
11 H GLY 3 H GLY 3 5.698 3.186 -0.923
12 HA2 GLY 3 2HA GLY 3 5.001 4.971 0.724
13 HA3 GLY 3 3HA GLY 3 6.076 4.148 1.844
14 H GLN 4 H GLN 4 5.985 6.898 0.459
15 HA GLN 4 HA GLN 4 8.537 6.895 -0.937
16 HB2 GLN 4 2HB GLN 4 6.657 8.234 -1.813
17 HB3 GLN 4 3HB GLN 4 6.655 9.181 -0.331
18 HG2 GLN 4 2HG GLN 4 8.952 9.917 -0.834
19 HG3 GLN 4 3HG GLN 4 8.875 9.030 -2.356
20 HE21 GLN 4 1HE2 GLN 4 8.839 11.998 -1.261
21 HE22 GLN 4 2HE2 GLN 4 7.725 12.755 -2.342
22 H CYS 5 H CYS 5 10.390 7.894 -0.225
23 HA CYS 5 HA CYS 5 10.803 7.996 2.577
24 HB2 CYS 5 2HB CYS 5 12.604 9.180 0.462
25 HB3 CYS 5 3HB CYS 5 13.060 8.615 2.066
26 H TYR 6 H TYR 6 11.952 9.983 3.560
27 HA TYR 6 HA TYR 6 10.601 12.457 2.722
28 HB2 TYR 6 2HB TYR 6 9.520 11.259 4.727
29 HB3 TYR 6 3HB TYR 6 10.956 11.740 5.625
30 HD1 TYR 6 HD1 TYR 6 11.381 14.095 6.124
31 HD2 TYR 6 HD2 TYR 6 7.863 12.885 4.059
32 HE1 TYR 6 HE1 TYR 6 10.372 16.294 6.567
33 HE2 TYR 6 HE2 TYR 6 6.845 15.081 4.495
34 HH TYR 6 HH TYR 6 8.110 17.283 6.726
35 H ARG 7 H ARG 7 12.222 13.713 2.059
36 HA ARG 7 HA ARG 7 14.252 14.755 1.950
37 HB2 ARG 7 2HB ARG 7 13.602 14.861 4.891
38 HB3 ARG 7 3HB ARG 7 15.011 15.668 4.214
39 HG2 ARG 7 2HG ARG 7 13.315 16.767 2.603
40 HG3 ARG 7 3HG ARG 7 12.114 16.261 3.793
41 HD2 ARG 7 2HD ARG 7 12.610 18.029 5.039
42 HD3 ARG 7 3HD ARG 7 14.266 17.445 5.199
43 HE ARG 7 HE ARG 7 13.912 18.766 2.720
44 HH11 ARG 7 1HH1 ARG 7 14.244 19.372 6.132
45 HH12 ARG 7 2HH1 ARG 7 14.926 20.950 5.918
46 HH21 ARG 7 1HH2 ARG 7 14.809 20.842 2.425
47 HH22 ARG 7 2HH2 ARG 7 15.247 21.785 3.809
48 H GLY 8 H GLY 8 14.422 11.916 1.989
49 HA2 GLY 8 2HA GLY 8 16.202 10.432 1.939
50 HA3 GLY 8 3HA GLY 8 17.196 11.649 2.726
51 H ARG 9 H ARG 9 14.127 10.622 4.039
52 HA ARG 9 HA ARG 9 15.467 8.906 5.993
53 HB2 ARG 9 2HB ARG 9 15.112 11.430 6.717
54 HB3 ARG 9 3HB ARG 9 13.476 10.870 7.034
55 HG2 ARG 9 2HG ARG 9 14.415 9.102 8.494
56 HG3 ARG 9 3HG ARG 9 16.016 9.804 8.246
57 HD2 ARG 9 2HD ARG 9 14.812 12.005 9.029
58 HD3 ARG 9 3HD ARG 9 13.681 10.869 9.764
59 HE ARG 9 HE ARG 9 15.247 10.439 11.362
60 HH11 ARG 9 1HH1 ARG 9 16.846 11.791 8.580
61 HH12 ARG 9 2HH1 ARG 9 18.397 11.872 9.348
62 HH21 ARG 9 1HH2 ARG 9 17.284 10.541 12.384
63 HH22 ARG 9 2HH2 ARG 9 18.645 11.160 11.512
64 H CYS 10 H CYS 10 14.295 7.163 6.549
65 HA CYS 10 HA CYS 10 11.444 7.127 5.807
66 HB2 CYS 10 2HB CYS 10 13.566 5.041 5.339
67 HB3 CYS 10 3HB CYS 10 11.855 4.626 5.369
68 H SER 11 H SER 11 10.100 5.701 7.046
69 HA SER 11 HA SER 11 10.887 5.619 9.825
70 HB2 SER 11 2HB SER 11 8.339 5.173 8.318
71 HB3 SER 11 3HB SER 11 8.481 4.548 9.960
72 HG SER 11 HG SER 11 9.021 6.688 10.620
73 H GLY 12 H GLY 12 10.036 3.546 11.047
74 HA2 GLY 12 2HA GLY 12 10.484 1.352 11.551
75 HA3 GLY 12 3HA GLY 12 10.091 1.026 9.869
76 H GLY 13 H GLY 13 12.721 3.158 10.609
77 HA2 GLY 13 2HA GLY 13 14.972 2.989 10.185
78 HA3 GLY 13 3HA GLY 13 14.838 1.378 10.876
79 H LEU 14 H LEU 14 13.002 2.179 8.049
80 HA LEU 14 HA LEU 14 14.271 0.093 6.553
81 HB2 LEU 14 2HB LEU 14 12.088 2.063 6.009
82 HB3 LEU 14 3HB LEU 14 12.774 1.115 4.691
83 HG LEU 14 HG LEU 14 11.551 -0.108 7.158
84 HD11 LEU 14 1HD1 LEU 14 9.837 1.159 6.025
85 HD12 LEU 14 2HD1 LEU 14 9.591 -0.563 5.735
86 HD13 LEU 14 3HD1 LEU 14 10.295 0.451 4.476
87 HD21 LEU 14 3HD2 LEU 14 11.875 -2.132 6.181
88 HD22 LEU 14 1HD2 LEU 14 13.234 -1.274 5.455
89 HD23 LEU 14 2HD2 LEU 14 11.739 -1.489 4.543
90 H CYS 15 H CYS 15 14.717 0.704 4.100
91 HA CYS 15 HA CYS 15 16.646 2.930 4.148
92 HB2 CYS 15 2HB CYS 15 16.706 0.276 2.720
93 HB3 CYS 15 3HB CYS 15 17.744 1.616 2.242
94 H CYS 16 H CYS 16 16.861 4.230 2.287
95 HA CYS 16 HA CYS 16 14.382 4.523 0.805
96 HB2 CYS 16 2HB CYS 16 15.753 6.435 1.860
97 HB3 CYS 16 3HB CYS 16 16.832 6.242 0.482
98 H SER 17 H SER 17 14.059 3.821 -1.199
99 HA SER 17 HA SER 17 16.190 2.470 -2.602
100 HB2 SER 17 2HB SER 17 14.524 1.585 -4.002
101 HB3 SER 17 3HB SER 17 13.710 1.744 -2.446
102 HG SER 17 HG SER 17 12.366 3.061 -3.358
103 H LYS 18 H LYS 18 16.349 2.838 -5.037
104 HA LYS 18 HA LYS 18 17.209 5.508 -5.478
105 HB2 LYS 18 2HB LYS 18 17.664 4.738 -7.789
106 HB3 LYS 18 3HB LYS 18 18.340 3.667 -6.568
107 HG2 LYS 18 2HG LYS 18 16.876 1.969 -7.045
108 HG3 LYS 18 3HG LYS 18 15.644 3.064 -7.679
109 HD2 LYS 18 2HD LYS 18 16.466 2.953 -9.761
110 HD3 LYS 18 3HD LYS 18 18.133 3.113 -9.204
111 HE2 LYS 18 2HE LYS 18 16.913 0.545 -8.533
112 HE3 LYS 18 3HE LYS 18 17.008 0.847 -10.268
113 HZ1 LYS 18 3HZ LYS 18 19.284 0.901 -10.228
114 HZ2 LYS 18 1HZ LYS 18 18.987 -0.249 -9.022
115 HZ3 LYS 18 2HZ LYS 18 19.373 1.342 -8.597
116 H TYR 19 H TYR 19 14.171 4.108 -5.606
117 HA TYR 19 HA TYR 19 13.182 5.987 -7.629
118 HB2 TYR 19 2HB TYR 19 12.153 3.427 -6.482
119 HB3 TYR 19 3HB TYR 19 10.995 4.593 -7.111
120 HD1 TYR 19 HD2 TYR 19 11.139 5.284 -9.515
121 HD2 TYR 19 HD1 TYR 19 13.454 2.082 -7.937
122 HE1 TYR 19 HE2 TYR 19 11.539 4.457 -11.796
123 HE2 TYR 19 HE1 TYR 19 13.861 1.247 -10.214
124 HH TYR 19 HH TYR 19 12.550 2.936 -13.052
125 H GLY 20 H GLY 20 13.835 6.165 -4.508
126 HA2 GLY 20 2HA GLY 20 13.178 7.773 -2.970
127 HA3 GLY 20 3HA GLY 20 11.854 8.211 -4.039
128 H TYR 21 H TYR 21 11.933 4.894 -3.526
129 HA TYR 21 HA TYR 21 9.747 5.124 -1.576
130 HB2 TYR 21 2HB TYR 21 10.402 2.765 -3.347
131 HB3 TYR 21 3HB TYR 21 8.944 3.002 -2.391
132 HD1 TYR 21 HD2 TYR 21 8.291 5.814 -3.026
133 HD2 TYR 21 HD1 TYR 21 9.639 2.664 -5.549
134 HE1 TYR 21 HE2 TYR 21 7.202 6.895 -4.948
135 HE2 TYR 21 HE1 TYR 21 8.555 3.737 -7.479
136 HH TYR 21 HH TYR 21 7.561 5.619 -8.221
137 H CYS 22 H CYS 22 9.811 4.089 0.352
138 HA CYS 22 HA CYS 22 12.363 3.178 1.294
139 HB2 CYS 22 2HB CYS 22 9.730 2.987 2.757
140 HB3 CYS 22 3HB CYS 22 11.347 3.055 3.451
141 H GLY 23 H GLY 23 12.799 1.111 2.238
142 HA2 GLY 23 2HA GLY 23 11.122 -1.106 2.201
143 HA3 GLY 23 3HA GLY 23 11.921 -1.058 0.637
144 H SER 24 H SER 24 12.877 -3.097 1.219
145 HA SER 24 HA SER 24 15.261 -2.737 2.904
146 HB2 SER 24 2HB SER 24 13.457 -4.072 4.068
147 HB3 SER 24 3HB SER 24 13.652 -5.295 2.813
148 HG SER 24 HG SER 24 15.169 -6.018 4.075
149 H GLY 25 H GLY 25 16.519 -5.096 2.542
150 HA2 GLY 25 2HA GLY 25 17.434 -6.566 0.947
151 HA3 GLY 25 3HA GLY 25 16.579 -5.692 -0.316
152 HA PRO 26 HA PRO 26 20.974 -4.344 -0.158
153 HB2 PRO 26 2HB PRO 26 21.988 -5.599 -2.364
154 HB3 PRO 26 3HB PRO 26 22.174 -6.222 -0.737
155 HG2 PRO 26 2HG PRO 26 20.382 -7.165 -2.891
156 HG3 PRO 26 3HG PRO 26 20.891 -8.006 -1.440
157 HD2 PRO 26 2HD PRO 26 18.346 -6.766 -1.901
158 HD3 PRO 26 3HD PRO 26 18.897 -7.505 -0.411
159 H ALA 27 H ALA 27 18.607 -4.579 -2.512
160 HA ALA 27 HA ALA 27 19.716 -2.555 -4.235
161 HB1 ALA 27 1HB ALA 27 17.615 -2.744 -5.465
162 HB2 ALA 27 2HB ALA 27 18.315 -4.332 -5.149
163 HB3 ALA 27 3HB ALA 27 16.952 -3.762 -4.186
164 H TYR 28 H TYR 28 18.302 -2.430 -1.256
165 HA TYR 28 HA TYR 28 17.180 0.249 -1.754
166 HB2 TYR 28 2HB TYR 28 16.379 -1.891 0.206
167 HB3 TYR 28 3HB TYR 28 15.930 -0.207 0.450
168 HD1 TYR 28 HD2 TYR 28 15.914 -2.638 -2.399
169 HD2 TYR 28 HD1 TYR 28 13.784 0.311 -0.191
170 HE1 TYR 28 HE2 TYR 28 13.969 -2.949 -3.871
171 HE2 TYR 28 HE1 TYR 28 11.832 0.006 -1.656
172 HH TYR 28 HH TYR 28 11.796 -1.123 -4.461
173 H CYS 29 H CYS 29 19.083 -1.745 0.453
174 HA CYS 29 HA CYS 29 19.907 0.623 1.952
175 HB2 CYS 29 2HB CYS 29 20.307 -2.334 2.395
176 HB3 CYS 29 3HB CYS 29 21.122 -1.114 3.366
177 H GLY 30 H GLY 30 21.054 -1.571 -0.461
178 HA2 GLY 30 2HA GLY 30 22.908 -1.324 -1.835
179 HA3 GLY 30 3HA GLY 30 23.416 0.042 -0.853
Start of MODEL 3
1 H1 ALA 1 H ALA 1 1.192 2.539 -1.772
2 HA ALA 1 HA ALA 1 1.740 -0.136 -1.804
3 HB1 ALA 1 1HB ALA 1 3.048 0.231 -3.784
4 HB2 ALA 1 2HB ALA 1 1.690 1.357 -3.786
5 HB3 ALA 1 3HB ALA 1 3.303 1.923 -3.353
6 H ALA 2 H ALA 2 3.693 2.407 -0.466
7 HA ALA 2 HA ALA 2 5.328 0.582 0.962
8 HB1 ALA 2 1HB ALA 2 6.474 1.846 -1.501
9 HB2 ALA 2 2HB ALA 2 7.501 1.423 -0.130
10 HB3 ALA 2 3HB ALA 2 6.576 0.171 -0.958
11 H GLY 3 H GLY 3 5.765 3.818 -0.494
12 HA2 GLY 3 2HA GLY 3 5.183 5.705 1.079
13 HA3 GLY 3 3HA GLY 3 6.193 4.854 2.239
14 H GLN 4 H GLN 4 6.296 7.550 0.755
15 HA GLN 4 HA GLN 4 8.852 7.325 -0.617
16 HB2 GLN 4 2HB GLN 4 6.920 9.600 -0.201
17 HB3 GLN 4 3HB GLN 4 8.508 9.837 -0.918
18 HG2 GLN 4 2HG GLN 4 7.911 8.918 -2.877
19 HG3 GLN 4 3HG GLN 4 6.899 7.692 -2.116
20 HE21 GLN 4 1HE2 GLN 4 6.774 10.130 -4.192
21 HE22 GLN 4 2HE2 GLN 4 5.171 10.713 -3.918
22 H CYS 5 H CYS 5 10.766 8.198 0.084
23 HA CYS 5 HA CYS 5 11.156 8.391 2.884
24 HB2 CYS 5 2HB CYS 5 13.065 9.340 0.745
25 HB3 CYS 5 3HB CYS 5 13.459 8.811 2.377
26 H TYR 6 H TYR 6 11.850 10.194 4.120
27 HA TYR 6 HA TYR 6 10.830 12.754 3.088
28 HB2 TYR 6 2HB TYR 6 10.940 11.559 5.836
29 HB3 TYR 6 3HB TYR 6 10.871 13.307 5.643
30 HD1 TYR 6 HD1 TYR 6 8.875 14.384 4.754
31 HD2 TYR 6 HD2 TYR 6 9.039 10.164 5.270
32 HE1 TYR 6 HE1 TYR 6 6.432 14.265 4.505
33 HE2 TYR 6 HE2 TYR 6 6.596 10.033 5.021
34 HH TYR 6 HH TYR 6 4.579 12.500 5.358
35 H ARG 7 H ARG 7 12.481 13.885 2.269
36 HA ARG 7 HA ARG 7 14.542 14.841 2.026
37 HB2 ARG 7 2HB ARG 7 14.130 15.143 5.005
38 HB3 ARG 7 3HB ARG 7 15.373 15.983 4.087
39 HG2 ARG 7 2HG ARG 7 12.599 16.258 3.112
40 HG3 ARG 7 3HG ARG 7 12.990 17.047 4.641
41 HD2 ARG 7 2HD ARG 7 14.502 17.401 2.055
42 HD3 ARG 7 3HD ARG 7 13.311 18.530 2.700
43 HE ARG 7 HE ARG 7 16.038 18.234 3.529
44 HH11 ARG 7 1HH1 ARG 7 12.850 19.196 4.545
45 HH12 ARG 7 2HH1 ARG 7 13.424 20.252 5.793
46 HH21 ARG 7 1HH2 ARG 7 16.806 19.621 5.169
47 HH22 ARG 7 2HH2 ARG 7 15.675 20.493 6.146
48 H GLY 8 H GLY 8 14.592 11.990 2.310
49 HA2 GLY 8 2HA GLY 8 16.447 10.548 2.208
50 HA3 GLY 8 3HA GLY 8 17.374 11.709 3.146
51 H ARG 9 H ARG 9 14.216 10.850 4.249
52 HA ARG 9 HA ARG 9 15.414 9.098 6.293
53 HB2 ARG 9 2HB ARG 9 13.206 11.129 6.673
54 HB3 ARG 9 3HB ARG 9 13.770 10.004 7.901
55 HG2 ARG 9 2HG ARG 9 15.633 11.952 6.593
56 HG3 ARG 9 3HG ARG 9 14.636 12.406 7.977
57 HD2 ARG 9 2HD ARG 9 16.291 11.614 9.246
58 HD3 ARG 9 3HD ARG 9 15.745 10.010 8.758
59 HE ARG 9 HE ARG 9 17.663 9.791 7.549
60 HH11 ARG 9 1HH1 ARG 9 17.088 13.178 8.109
61 HH12 ARG 9 2HH1 ARG 9 18.585 13.683 7.399
62 HH21 ARG 9 1HH2 ARG 9 19.638 10.443 6.612
63 HH22 ARG 9 2HH2 ARG 9 20.035 12.127 6.547
64 H CYS 10 H CYS 10 13.847 7.615 7.325
65 HA CYS 10 HA CYS 10 11.444 7.027 5.800
66 HB2 CYS 10 2HB CYS 10 13.842 5.217 5.905
67 HB3 CYS 10 3HB CYS 10 12.223 4.556 5.706
68 H SER 11 H SER 11 10.313 5.050 6.797
69 HA SER 11 HA SER 11 10.373 5.410 9.698
70 HB2 SER 11 2HB SER 11 8.311 3.870 8.121
71 HB3 SER 11 3HB SER 11 8.152 4.561 9.736
72 HG SER 11 HG SER 11 7.120 5.864 8.187
73 H GLY 12 H GLY 12 10.080 3.508 11.093
74 HA2 GLY 12 2HA GLY 12 10.889 1.513 11.895
75 HA3 GLY 12 3HA GLY 12 10.403 0.865 10.335
76 H GLY 13 H GLY 13 12.850 3.350 10.727
77 HA2 GLY 13 2HA GLY 13 15.061 3.381 10.103
78 HA3 GLY 13 3HA GLY 13 15.149 1.829 10.921
79 H LEU 14 H LEU 14 13.165 2.434 8.093
80 HA LEU 14 HA LEU 14 14.371 0.243 6.701
81 HB2 LEU 14 2HB LEU 14 12.229 2.232 6.060
82 HB3 LEU 14 3HB LEU 14 12.869 1.174 4.804
83 HG LEU 14 HG LEU 14 11.655 0.157 7.367
84 HD11 LEU 14 1HD1 LEU 14 10.380 1.251 4.997
85 HD12 LEU 14 2HD1 LEU 14 9.689 0.827 6.563
86 HD13 LEU 14 3HD1 LEU 14 9.896 -0.413 5.326
87 HD21 LEU 14 3HD2 LEU 14 11.800 -1.363 4.813
88 HD22 LEU 14 1HD2 LEU 14 11.833 -1.942 6.479
89 HD23 LEU 14 2HD2 LEU 14 13.267 -1.192 5.777
90 H CYS 15 H CYS 15 14.806 0.696 4.217
91 HA CYS 15 HA CYS 15 16.837 2.824 4.137
92 HB2 CYS 15 2HB CYS 15 16.635 0.180 2.701
93 HB3 CYS 15 3HB CYS 15 17.757 1.439 2.197
94 H CYS 16 H CYS 16 17.041 4.123 2.282
95 HA CYS 16 HA CYS 16 14.524 4.577 0.908
96 HB2 CYS 16 2HB CYS 16 16.116 6.374 1.911
97 HB3 CYS 16 3HB CYS 16 17.036 6.151 0.427
98 H SER 17 H SER 17 14.072 3.912 -1.084
99 HA SER 17 HA SER 17 16.050 2.434 -2.581
100 HB2 SER 17 2HB SER 17 14.273 1.667 -3.911
101 HB3 SER 17 3HB SER 17 13.537 1.869 -2.322
102 HG SER 17 HG SER 17 12.245 3.278 -3.170
103 H LYS 18 H LYS 18 16.133 2.805 -5.018
104 HA LYS 18 HA LYS 18 17.143 5.418 -5.486
105 HB2 LYS 18 2HB LYS 18 16.651 3.035 -7.257
106 HB3 LYS 18 3HB LYS 18 17.233 4.560 -7.911
107 HG2 LYS 18 2HG LYS 18 19.141 4.418 -6.291
108 HG3 LYS 18 3HG LYS 18 18.597 2.784 -5.904
109 HD2 LYS 18 2HD LYS 18 18.683 2.519 -8.534
110 HD3 LYS 18 3HD LYS 18 19.845 3.839 -8.391
111 HE2 LYS 18 2HE LYS 18 20.755 2.233 -6.447
112 HE3 LYS 18 3HE LYS 18 20.042 1.022 -7.512
113 HZ1 LYS 18 3HZ LYS 18 21.828 1.169 -8.786
114 HZ2 LYS 18 1HZ LYS 18 22.486 2.372 -7.796
115 HZ3 LYS 18 2HZ LYS 18 21.493 2.797 -9.098
116 H TYR 19 H TYR 19 14.020 4.214 -5.492
117 HA TYR 19 HA TYR 19 13.069 6.155 -7.474
118 HB2 TYR 19 2HB TYR 19 11.921 3.672 -6.271
119 HB3 TYR 19 3HB TYR 19 10.820 4.910 -6.865
120 HD1 TYR 19 HD2 TYR 19 10.730 5.453 -9.251
121 HD2 TYR 19 HD1 TYR 19 13.260 2.360 -7.790
122 HE1 TYR 19 HE2 TYR 19 10.985 4.588 -11.540
123 HE2 TYR 19 HE1 TYR 19 13.524 1.488 -10.075
124 HH TYR 19 HH TYR 19 11.556 2.452 -12.648
125 H GLY 20 H GLY 20 13.855 6.272 -4.373
126 HA2 GLY 20 2HA GLY 20 13.375 7.930 -2.818
127 HA3 GLY 20 3HA GLY 20 12.035 8.449 -3.830
128 H TYR 21 H TYR 21 11.921 5.136 -3.315
129 HA TYR 21 HA TYR 21 9.850 5.505 -1.264
130 HB2 TYR 21 2HB TYR 21 10.267 3.144 -3.107
131 HB3 TYR 21 3HB TYR 21 8.898 3.408 -2.032
132 HD1 TYR 21 HD2 TYR 21 8.033 6.077 -2.475
133 HD2 TYR 21 HD1 TYR 21 9.610 3.322 -5.308
134 HE1 TYR 21 HE2 TYR 21 6.842 7.255 -4.275
135 HE2 TYR 21 HE1 TYR 21 8.424 4.493 -7.116
136 HH TYR 21 HH TYR 21 6.194 6.044 -7.152
137 H CYS 22 H CYS 22 9.938 4.464 0.659
138 HA CYS 22 HA CYS 22 12.465 3.377 1.476
139 HB2 CYS 22 2HB CYS 22 9.886 3.392 3.049
140 HB3 CYS 22 3HB CYS 22 11.526 3.286 3.681
141 H GLY 23 H GLY 23 12.786 1.281 2.427
142 HA2 GLY 23 2HA GLY 23 10.964 -0.814 2.457
143 HA3 GLY 23 3HA GLY 23 11.694 -0.818 0.858
144 H SER 24 H SER 24 12.534 -2.919 1.398
145 HA SER 24 HA SER 24 15.009 -2.729 2.974
146 HB2 SER 24 2HB SER 24 13.170 -3.939 4.219
147 HB3 SER 24 3HB SER 24 13.225 -5.170 2.957
148 HG SER 24 HG SER 24 14.669 -5.155 5.074
149 H GLY 25 H GLY 25 16.082 -5.169 2.558
150 HA2 GLY 25 2HA GLY 25 16.825 -6.693 0.926
151 HA3 GLY 25 3HA GLY 25 15.971 -5.765 -0.298
152 HA PRO 26 HA PRO 26 20.448 -4.710 -0.353
153 HB2 PRO 26 2HB PRO 26 21.270 -6.026 -2.603
154 HB3 PRO 26 3HB PRO 26 21.491 -6.662 -0.985
155 HG2 PRO 26 2HG PRO 26 19.540 -7.482 -3.049
156 HG3 PRO 26 3HG PRO 26 20.062 -8.356 -1.622
157 HD2 PRO 26 2HD PRO 26 17.585 -6.951 -1.964
158 HD3 PRO 26 3HD PRO 26 18.157 -7.726 -0.500
159 H ALA 27 H ALA 27 17.958 -4.781 -2.586
160 HA ALA 27 HA ALA 27 19.114 -2.837 -4.369
161 HB1 ALA 27 1HB ALA 27 16.230 -3.688 -4.214
162 HB2 ALA 27 2HB ALA 27 17.070 -2.960 -5.584
163 HB3 ALA 27 3HB ALA 27 17.474 -4.598 -5.071
164 H TYR 28 H TYR 28 17.861 -2.618 -1.323
165 HA TYR 28 HA TYR 28 16.910 0.135 -1.771
166 HB2 TYR 28 2HB TYR 28 16.050 -1.946 0.227
167 HB3 TYR 28 3HB TYR 28 15.733 -0.235 0.489
168 HD1 TYR 28 HD1 TYR 28 15.411 -2.659 -2.348
169 HD2 TYR 28 HD2 TYR 28 13.607 0.441 -0.060
170 HE1 TYR 28 HE1 TYR 28 13.382 -2.831 -3.727
171 HE2 TYR 28 HE2 TYR 28 11.572 0.278 -1.433
172 HH TYR 28 HH TYR 28 10.607 -0.681 -3.187
173 H CYS 29 H CYS 29 18.767 -1.996 0.345
174 HA CYS 29 HA CYS 29 19.827 0.304 1.803
175 HB2 CYS 29 2HB CYS 29 20.055 -2.676 2.227
176 HB3 CYS 29 3HB CYS 29 20.971 -1.506 3.171
177 H GLY 30 H GLY 30 20.700 -1.961 -0.660
178 HA2 GLY 30 2HA GLY 30 22.503 -1.854 -2.116
179 HA3 GLY 30 3HA GLY 30 23.145 -0.517 -1.172
Start of MODEL 4
1 H1 ALA 1 H ALA 1 2.682 -0.808 -4.573
2 HA ALA 1 HA ALA 1 3.012 1.440 -2.967
3 HB1 ALA 1 1HB ALA 1 1.492 -1.107 -2.441
4 HB2 ALA 1 2HB ALA 1 1.369 0.342 -1.443
5 HB3 ALA 1 3HB ALA 1 0.870 0.391 -3.134
6 H ALA 2 H ALA 2 4.112 1.876 -1.144
7 HA ALA 2 HA ALA 2 5.000 -0.082 0.703
8 HB1 ALA 2 1HB ALA 2 6.559 -0.376 -1.319
9 HB2 ALA 2 2HB ALA 2 7.279 1.150 -0.805
10 HB3 ALA 2 3HB ALA 2 7.286 -0.239 0.282
11 H GLY 3 H GLY 3 5.518 3.142 -0.657
12 HA2 GLY 3 2HA GLY 3 4.843 4.933 0.992
13 HA3 GLY 3 3HA GLY 3 5.969 4.142 2.085
14 H GLN 4 H GLN 4 5.782 6.873 0.675
15 HA GLN 4 HA GLN 4 8.287 6.900 -0.804
16 HB2 GLN 4 2HB GLN 4 6.093 8.884 -0.330
17 HB3 GLN 4 3HB GLN 4 7.667 9.442 -0.879
18 HG2 GLN 4 2HG GLN 4 7.461 7.807 -2.779
19 HG3 GLN 4 3HG GLN 4 5.788 7.563 -2.278
20 HE21 GLN 4 1HE2 GLN 4 5.748 8.340 -4.654
21 HE22 GLN 4 2HE2 GLN 4 5.495 10.035 -4.867
22 H CYS 5 H CYS 5 10.157 7.869 -0.140
23 HA CYS 5 HA CYS 5 10.625 8.058 2.649
24 HB2 CYS 5 2HB CYS 5 12.395 9.155 0.461
25 HB3 CYS 5 3HB CYS 5 12.878 8.638 2.073
26 H TYR 6 H TYR 6 11.836 10.072 3.523
27 HA TYR 6 HA TYR 6 10.470 12.524 2.647
28 HB2 TYR 6 2HB TYR 6 9.552 11.312 4.794
29 HB3 TYR 6 3HB TYR 6 10.951 12.053 5.564
30 HD1 TYR 6 HD1 TYR 6 7.717 12.677 3.958
31 HD2 TYR 6 HD2 TYR 6 11.081 14.458 5.859
32 HE1 TYR 6 HE1 TYR 6 6.459 14.777 4.204
33 HE2 TYR 6 HE2 TYR 6 9.833 16.562 6.111
34 HH TYR 6 HH TYR 6 6.458 16.835 5.043
35 H ARG 7 H ARG 7 12.127 13.653 1.820
36 HA ARG 7 HA ARG 7 14.171 14.650 1.602
37 HB2 ARG 7 2HB ARG 7 12.960 15.828 3.583
38 HB3 ARG 7 3HB ARG 7 14.159 15.015 4.581
39 HG2 ARG 7 2HG ARG 7 15.772 16.102 2.732
40 HG3 ARG 7 3HG ARG 7 14.458 17.280 2.722
41 HD2 ARG 7 2HD ARG 7 14.972 18.053 4.769
42 HD3 ARG 7 3HD ARG 7 15.316 16.441 5.395
43 HE ARG 7 HE ARG 7 17.348 17.321 3.611
44 HH11 ARG 7 1HH1 ARG 7 16.154 17.676 6.861
45 HH12 ARG 7 2HH1 ARG 7 17.697 18.107 7.521
46 HH21 ARG 7 1HH2 ARG 7 19.386 17.887 4.467
47 HH22 ARG 7 2HH2 ARG 7 19.535 18.228 6.157
48 H GLY 8 H GLY 8 14.380 11.873 1.782
49 HA2 GLY 8 2HA GLY 8 16.153 10.384 1.866
50 HA3 GLY 8 3HA GLY 8 17.123 11.636 2.626
51 H ARG 9 H ARG 9 14.026 10.775 3.944
52 HA ARG 9 HA ARG 9 15.292 9.105 5.992
53 HB2 ARG 9 2HB ARG 9 13.526 11.488 6.582
54 HB3 ARG 9 3HB ARG 9 14.101 10.331 7.774
55 HG2 ARG 9 2HG ARG 9 16.404 11.196 6.494
56 HG3 ARG 9 3HG ARG 9 15.416 12.648 6.663
57 HD2 ARG 9 2HD ARG 9 15.447 12.567 8.957
58 HD3 ARG 9 3HD ARG 9 15.685 10.821 8.998
59 HE ARG 9 HE ARG 9 17.966 11.992 7.884
60 HH11 ARG 9 1HH1 ARG 9 16.278 11.849 10.926
61 HH12 ARG 9 2HH1 ARG 9 17.709 12.071 11.878
62 HH21 ARG 9 1HH2 ARG 9 19.856 12.284 9.127
63 HH22 ARG 9 2HH2 ARG 9 19.743 12.319 10.854
64 H CYS 10 H CYS 10 14.182 7.289 6.230
65 HA CYS 10 HA CYS 10 11.337 7.269 5.474
66 HB2 CYS 10 2HB CYS 10 13.470 5.146 5.372
67 HB3 CYS 10 3HB CYS 10 11.759 4.732 5.317
68 H SER 11 H SER 11 10.079 5.480 6.639
69 HA SER 11 HA SER 11 10.533 5.837 9.505
70 HB2 SER 11 2HB SER 11 8.285 6.298 8.313
71 HB3 SER 11 3HB SER 11 8.105 4.544 8.279
72 HG SER 11 HG SER 11 7.270 5.868 10.176
73 H GLY 12 H GLY 12 9.852 3.907 10.897
74 HA2 GLY 12 2HA GLY 12 10.358 1.792 11.631
75 HA3 GLY 12 3HA GLY 12 9.955 1.272 10.001
76 H GLY 13 H GLY 13 12.551 3.524 10.579
77 HA2 GLY 13 2HA GLY 13 14.805 3.368 10.170
78 HA3 GLY 13 3HA GLY 13 14.696 1.793 10.942
79 H LEU 14 H LEU 14 12.847 2.410 8.079
80 HA LEU 14 HA LEU 14 14.159 0.277 6.692
81 HB2 LEU 14 2HB LEU 14 11.947 2.182 6.023
82 HB3 LEU 14 3HB LEU 14 12.638 1.135 4.785
83 HG LEU 14 HG LEU 14 11.375 0.148 7.341
84 HD11 LEU 14 1HD1 LEU 14 9.783 1.315 5.819
85 HD12 LEU 14 2HD1 LEU 14 9.434 -0.396 6.061
86 HD13 LEU 14 3HD1 LEU 14 10.201 0.144 4.567
87 HD21 LEU 14 3HD2 LEU 14 13.121 -1.124 5.636
88 HD22 LEU 14 1HD2 LEU 14 11.539 -1.638 5.048
89 HD23 LEU 14 2HD2 LEU 14 11.985 -1.911 6.733
90 H CYS 15 H CYS 15 14.613 0.751 4.221
91 HA CYS 15 HA CYS 15 16.509 3.002 4.156
92 HB2 CYS 15 2HB CYS 15 16.548 0.323 2.766
93 HB3 CYS 15 3HB CYS 15 17.612 1.648 2.305
94 H CYS 16 H CYS 16 16.664 4.278 2.288
95 HA CYS 16 HA CYS 16 14.173 4.508 0.823
96 HB2 CYS 16 2HB CYS 16 15.576 6.447 1.807
97 HB3 CYS 16 3HB CYS 16 16.601 6.230 0.393
98 H SER 17 H SER 17 13.823 3.762 -1.161
99 HA SER 17 HA SER 17 15.933 2.372 -2.556
100 HB2 SER 17 2HB SER 17 14.249 1.457 -3.914
101 HB3 SER 17 3HB SER 17 13.456 1.653 -2.352
102 HG SER 17 HG SER 17 12.098 2.941 -3.282
103 H LYS 18 H LYS 18 16.069 2.677 -4.999
104 HA LYS 18 HA LYS 18 16.921 5.338 -5.517
105 HB2 LYS 18 2HB LYS 18 17.755 3.085 -6.524
106 HB3 LYS 18 3HB LYS 18 16.447 3.309 -7.679
107 HG2 LYS 18 2HG LYS 18 17.392 5.331 -8.487
108 HG3 LYS 18 3HG LYS 18 18.572 5.375 -7.175
109 HD2 LYS 18 2HD LYS 18 19.196 2.996 -8.206
110 HD3 LYS 18 3HD LYS 18 18.543 3.755 -9.659
111 HE2 LYS 18 2HE LYS 18 20.404 5.412 -8.092
112 HE3 LYS 18 3HE LYS 18 21.114 3.981 -8.837
113 HZ1 LYS 18 3HZ LYS 18 20.264 6.420 -10.053
114 HZ2 LYS 18 1HZ LYS 18 19.562 5.074 -10.801
115 HZ3 LYS 18 2HZ LYS 18 21.245 5.191 -10.678
116 H TYR 19 H TYR 19 13.886 3.932 -5.577
117 HA TYR 19 HA TYR 19 12.874 5.734 -7.656
118 HB2 TYR 19 2HB TYR 19 11.844 3.238 -6.374
119 HB3 TYR 19 3HB TYR 19 10.688 4.379 -7.051
120 HD1 TYR 19 HD1 TYR 19 11.682 5.303 -9.492
121 HD2 TYR 19 HD2 TYR 19 12.251 1.455 -7.768
122 HE1 TYR 19 HE1 TYR 19 12.058 4.361 -11.733
123 HE2 TYR 19 HE2 TYR 19 12.630 0.503 -10.003
124 HH TYR 19 HH TYR 19 13.163 2.421 -12.752
125 H GLY 20 H GLY 20 13.523 5.948 -4.498
126 HA2 GLY 20 2HA GLY 20 12.916 7.668 -3.047
127 HA3 GLY 20 3HA GLY 20 11.570 8.055 -4.108
128 H TYR 21 H TYR 21 11.647 4.766 -3.474
129 HA TYR 21 HA TYR 21 9.523 5.078 -1.467
130 HB2 TYR 21 2HB TYR 21 10.110 2.787 -3.352
131 HB3 TYR 21 3HB TYR 21 8.812 2.803 -2.163
132 HD1 TYR 21 HD1 TYR 21 10.082 4.612 -5.157
133 HD2 TYR 21 HD2 TYR 21 6.723 3.699 -2.710
134 HE1 TYR 21 HE1 TYR 21 8.601 5.689 -6.798
135 HE2 TYR 21 HE2 TYR 21 5.233 4.772 -4.346
136 HH TYR 21 HH TYR 21 5.802 5.282 -7.297
137 H CYS 22 H CYS 22 9.636 4.094 0.486
138 HA CYS 22 HA CYS 22 12.207 3.182 1.373
139 HB2 CYS 22 2HB CYS 22 9.619 3.054 2.920
140 HB3 CYS 22 3HB CYS 22 11.258 3.125 3.561
141 H GLY 23 H GLY 23 12.646 1.136 2.370
142 HA2 GLY 23 2HA GLY 23 10.945 -1.064 2.428
143 HA3 GLY 23 3HA GLY 23 11.714 -1.067 0.848
144 H SER 24 H SER 24 12.663 -3.098 1.465
145 HA SER 24 HA SER 24 15.077 -2.720 3.102
146 HB2 SER 24 2HB SER 24 13.282 -4.021 4.317
147 HB3 SER 24 3HB SER 24 13.450 -5.268 3.082
148 HG SER 24 HG SER 24 15.043 -4.713 5.222
149 H GLY 25 H GLY 25 16.318 -5.089 2.767
150 HA2 GLY 25 2HA GLY 25 17.207 -6.591 1.189
151 HA3 GLY 25 3HA GLY 25 16.331 -5.744 -0.078
152 HA PRO 26 HA PRO 26 20.730 -4.399 -0.024
153 HB2 PRO 26 2HB PRO 26 21.708 -5.706 -2.216
154 HB3 PRO 26 3HB PRO 26 21.919 -6.291 -0.578
155 HG2 PRO 26 2HG PRO 26 20.092 -7.283 -2.679
156 HG3 PRO 26 3HG PRO 26 20.624 -8.090 -1.217
157 HD2 PRO 26 2HD PRO 26 18.072 -6.860 -1.666
158 HD3 PRO 26 3HD PRO 26 18.648 -7.563 -0.168
159 H ALA 27 H ALA 27 18.323 -4.685 -2.330
160 HA ALA 27 HA ALA 27 19.404 -2.707 -4.122
161 HB1 ALA 27 1HB ALA 27 16.623 -3.868 -3.999
162 HB2 ALA 27 2HB ALA 27 17.310 -2.935 -5.329
163 HB3 ALA 27 3HB ALA 27 17.966 -4.523 -4.935
164 H TYR 28 H TYR 28 18.044 -2.506 -1.121
165 HA TYR 28 HA TYR 28 16.925 0.167 -1.663
166 HB2 TYR 28 2HB TYR 28 16.145 -1.923 0.359
167 HB3 TYR 28 3HB TYR 28 15.705 -0.231 0.568
168 HD1 TYR 28 HD2 TYR 28 15.637 -2.738 -2.214
169 HD2 TYR 28 HD1 TYR 28 13.554 0.282 -0.059
170 HE1 TYR 28 HE2 TYR 28 13.669 -3.079 -3.649
171 HE2 TYR 28 HE1 TYR 28 11.580 -0.052 -1.488
172 HH TYR 28 HH TYR 28 11.031 -0.923 -3.695
173 H CYS 29 H CYS 29 18.852 -1.787 0.560
174 HA CYS 29 HA CYS 29 19.711 0.611 1.990
175 HB2 CYS 29 2HB CYS 29 20.120 -2.336 2.497
176 HB3 CYS 29 3HB CYS 29 20.928 -1.087 3.437
177 H GLY 30 H GLY 30 20.807 -1.642 -0.390
178 HA2 GLY 30 2HA GLY 30 22.641 -1.433 -1.798
179 HA3 GLY 30 3HA GLY 30 23.176 -0.055 -0.848
Start of MODEL 5
1 H1 ALA 1 H ALA 1 2.057 2.304 -0.729
2 HA ALA 1 HA ALA 1 1.121 0.151 0.814
3 HB1 ALA 1 1HB ALA 1 1.907 -0.483 -1.972
4 HB2 ALA 1 2HB ALA 1 2.454 -1.580 -0.704
5 HB3 ALA 1 3HB ALA 1 0.732 -1.268 -0.917
6 H ALA 2 H ALA 2 3.958 0.812 -1.254
7 HA ALA 2 HA ALA 2 5.833 -0.028 0.702
8 HB1 ALA 2 1HB ALA 2 6.391 -0.076 -1.650
9 HB2 ALA 2 2HB ALA 2 6.215 1.676 -1.756
10 HB3 ALA 2 3HB ALA 2 7.516 0.977 -0.791
11 H GLY 3 H GLY 3 5.500 3.253 -0.663
12 HA2 GLY 3 2HA GLY 3 5.010 5.133 0.827
13 HA3 GLY 3 3HA GLY 3 5.954 4.309 2.058
14 H GLN 4 H GLN 4 6.119 6.986 0.542
15 HA GLN 4 HA GLN 4 8.761 6.772 -0.659
16 HB2 GLN 4 2HB GLN 4 7.019 8.163 -1.731
17 HB3 GLN 4 3HB GLN 4 6.984 9.191 -0.305
18 HG2 GLN 4 2HG GLN 4 9.436 9.628 -0.718
19 HG3 GLN 4 3HG GLN 4 9.216 8.843 -2.280
20 HE21 GLN 4 1HE2 GLN 4 8.967 11.716 -0.538
21 HE22 GLN 4 2HE2 GLN 4 8.162 12.666 -1.736
22 H CYS 5 H CYS 5 10.609 7.739 0.128
23 HA CYS 5 HA CYS 5 10.838 7.944 2.945
24 HB2 CYS 5 2HB CYS 5 12.826 8.966 0.914
25 HB3 CYS 5 3HB CYS 5 13.149 8.446 2.565
26 H TYR 6 H TYR 6 12.143 9.966 3.813
27 HA TYR 6 HA TYR 6 10.832 12.420 2.862
28 HB2 TYR 6 2HB TYR 6 9.717 11.428 4.917
29 HB3 TYR 6 3HB TYR 6 11.206 11.777 5.788
30 HD1 TYR 6 HD1 TYR 6 8.620 13.448 3.680
31 HD2 TYR 6 HD2 TYR 6 11.462 13.839 6.822
32 HE1 TYR 6 HE1 TYR 6 7.827 15.737 4.104
33 HE2 TYR 6 HE2 TYR 6 10.676 16.129 7.255
34 HH TYR 6 HH TYR 6 7.882 17.322 6.325
35 H ARG 7 H ARG 7 12.657 13.248 1.917
36 HA ARG 7 HA ARG 7 14.751 14.140 1.721
37 HB2 ARG 7 2HB ARG 7 13.433 15.673 3.347
38 HB3 ARG 7 3HB ARG 7 14.482 14.997 4.586
39 HG2 ARG 7 2HG ARG 7 16.419 15.889 3.565
40 HG3 ARG 7 3HG ARG 7 15.534 16.306 2.096
41 HD2 ARG 7 2HD ARG 7 14.271 17.984 3.280
42 HD3 ARG 7 3HD ARG 7 15.004 17.504 4.810
43 HE ARG 7 HE ARG 7 16.993 18.261 2.940
44 HH11 ARG 7 1HH1 ARG 7 14.546 19.576 5.038
45 HH12 ARG 7 2HH1 ARG 7 15.355 21.094 5.247
46 HH21 ARG 7 1HH2 ARG 7 18.068 20.255 3.207
47 HH22 ARG 7 2HH2 ARG 7 17.358 21.479 4.204
48 H GLY 8 H GLY 8 14.722 11.397 2.533
49 HA2 GLY 8 2HA GLY 8 16.613 10.011 2.868
50 HA3 GLY 8 3HA GLY 8 17.367 11.304 3.789
51 H ARG 9 H ARG 9 14.088 10.650 4.531
52 HA ARG 9 HA ARG 9 14.905 9.059 6.872
53 HB2 ARG 9 2HB ARG 9 12.869 11.294 6.788
54 HB3 ARG 9 3HB ARG 9 13.156 10.248 8.172
55 HG2 ARG 9 2HG ARG 9 15.261 11.164 8.582
56 HG3 ARG 9 3HG ARG 9 15.365 11.873 6.969
57 HD2 ARG 9 2HD ARG 9 14.935 13.583 8.653
58 HD3 ARG 9 3HD ARG 9 13.580 13.438 7.534
59 HE ARG 9 HE ARG 9 13.118 11.802 9.774
60 HH11 ARG 9 1HH1 ARG 9 13.262 15.162 8.876
61 HH12 ARG 9 2HH1 ARG 9 12.144 15.672 10.098
62 HH21 ARG 9 1HH2 ARG 9 11.644 12.460 11.387
63 HH22 ARG 9 2HH2 ARG 9 11.225 14.134 11.526
64 H CYS 10 H CYS 10 14.096 7.087 6.602
65 HA CYS 10 HA CYS 10 11.456 6.787 5.349
66 HB2 CYS 10 2HB CYS 10 13.861 5.022 5.561
67 HB3 CYS 10 3HB CYS 10 12.274 4.278 5.385
68 H SER 11 H SER 11 10.434 4.564 6.220
69 HA SER 11 HA SER 11 9.600 5.138 8.872
70 HB2 SER 11 2HB SER 11 8.524 2.770 8.599
71 HB3 SER 11 3HB SER 11 7.942 4.105 7.605
72 HG SER 11 HG SER 11 8.523 2.997 5.931
73 H GLY 12 H GLY 12 10.289 4.385 10.786
74 HA2 GLY 12 2HA GLY 12 11.695 3.394 12.312
75 HA3 GLY 12 3HA GLY 12 11.432 1.939 11.361
76 H GLY 13 H GLY 13 13.146 1.048 10.405
77 HA2 GLY 13 2HA GLY 13 15.521 2.752 9.979
78 HA3 GLY 13 3HA GLY 13 15.650 1.148 10.684
79 H LEU 14 H LEU 14 13.491 1.991 8.044
80 HA LEU 14 HA LEU 14 14.531 -0.131 6.431
81 HB2 LEU 14 2HB LEU 14 12.438 1.976 6.038
82 HB3 LEU 14 3HB LEU 14 12.944 0.942 4.704
83 HG LEU 14 HG LEU 14 11.826 -0.099 7.303
84 HD11 LEU 14 1HD1 LEU 14 10.098 -0.420 5.034
85 HD12 LEU 14 2HD1 LEU 14 10.450 1.287 5.299
86 HD13 LEU 14 3HD1 LEU 14 9.765 0.316 6.601
87 HD21 LEU 14 3HD2 LEU 14 11.747 -1.605 4.753
88 HD22 LEU 14 1HD2 LEU 14 11.951 -2.181 6.407
89 HD23 LEU 14 2HD2 LEU 14 13.311 -1.452 5.554
90 H CYS 15 H CYS 15 14.856 0.455 3.972
91 HA CYS 15 HA CYS 15 16.871 2.603 3.883
92 HB2 CYS 15 2HB CYS 15 16.716 -0.039 2.435
93 HB3 CYS 15 3HB CYS 15 17.794 1.254 1.921
94 H CYS 16 H CYS 16 16.997 3.917 2.033
95 HA CYS 16 HA CYS 16 14.441 4.292 0.705
96 HB2 CYS 16 2HB CYS 16 16.096 6.108 1.697
97 HB3 CYS 16 3HB CYS 16 16.826 5.985 0.099
98 H SER 17 H SER 17 13.985 3.644 -1.293
99 HA SER 17 HA SER 17 15.988 2.242 -2.828
100 HB2 SER 17 2HB SER 17 14.219 1.440 -4.149
101 HB3 SER 17 3HB SER 17 13.496 1.599 -2.548
102 HG SER 17 HG SER 17 12.155 2.984 -3.359
103 H LYS 18 H LYS 18 16.032 2.642 -5.261
104 HA LYS 18 HA LYS 18 16.960 5.289 -5.711
105 HB2 LYS 18 2HB LYS 18 16.415 3.033 -7.648
106 HB3 LYS 18 3HB LYS 18 17.235 4.531 -8.068
107 HG2 LYS 18 2HG LYS 18 18.273 2.843 -5.835
108 HG3 LYS 18 3HG LYS 18 18.618 2.410 -7.511
109 HD2 LYS 18 2HD LYS 18 19.070 5.229 -6.698
110 HD3 LYS 18 3HD LYS 18 20.203 4.015 -6.098
111 HE2 LYS 18 2HE LYS 18 19.521 3.892 -8.973
112 HE3 LYS 18 3HE LYS 18 20.492 5.268 -8.452
113 HZ1 LYS 18 3HZ LYS 18 22.207 3.881 -8.669
114 HZ2 LYS 18 1HZ LYS 18 21.227 2.502 -8.709
115 HZ3 LYS 18 2HZ LYS 18 21.686 3.171 -7.225
116 H TYR 19 H TYR 19 13.873 3.993 -5.697
117 HA TYR 19 HA TYR 19 12.844 5.925 -7.648
118 HB2 TYR 19 2HB TYR 19 11.806 3.387 -6.475
119 HB3 TYR 19 3HB TYR 19 10.638 4.601 -6.984
120 HD1 TYR 19 HD1 TYR 19 11.144 5.600 -9.415
121 HD2 TYR 19 HD2 TYR 19 12.416 1.788 -8.018
122 HE1 TYR 19 HE1 TYR 19 11.341 4.821 -11.740
123 HE2 TYR 19 HE2 TYR 19 12.618 0.999 -10.339
124 HH TYR 19 HH TYR 19 11.390 2.794 -13.004
125 H GLY 20 H GLY 20 13.658 6.025 -4.548
126 HA2 GLY 20 2HA GLY 20 13.155 7.664 -2.979
127 HA3 GLY 20 3HA GLY 20 11.786 8.150 -3.967
128 H TYR 21 H TYR 21 11.772 4.832 -3.482
129 HA TYR 21 HA TYR 21 9.724 5.123 -1.396
130 HB2 TYR 21 2HB TYR 21 10.182 2.791 -3.266
131 HB3 TYR 21 3HB TYR 21 8.823 3.005 -2.168
132 HD1 TYR 21 HD2 TYR 21 7.869 5.648 -2.572
133 HD2 TYR 21 HD1 TYR 21 9.490 2.972 -5.456
134 HE1 TYR 21 HE2 TYR 21 6.616 6.806 -4.343
135 HE2 TYR 21 HE1 TYR 21 8.243 4.125 -7.235
136 HH TYR 21 HH TYR 21 7.198 6.237 -7.679
137 H CYS 22 H CYS 22 9.876 4.075 0.519
138 HA CYS 22 HA CYS 22 12.444 3.051 1.284
139 HB2 CYS 22 2HB CYS 22 9.894 2.982 2.903
140 HB3 CYS 22 3HB CYS 22 11.548 2.925 3.504
141 H GLY 23 H GLY 23 12.832 0.959 2.224
142 HA2 GLY 23 2HA GLY 23 11.068 -1.184 2.265
143 HA3 GLY 23 3HA GLY 23 11.775 -1.160 0.656
144 H SER 24 H SER 24 12.679 -3.240 1.168
145 HA SER 24 HA SER 24 15.169 -2.994 2.713
146 HB2 SER 24 2HB SER 24 13.380 -4.260 3.974
147 HB3 SER 24 3HB SER 24 13.451 -5.482 2.704
148 HG SER 24 HG SER 24 15.086 -6.273 3.737
149 H GLY 25 H GLY 25 16.300 -5.403 2.266
150 HA2 GLY 25 2HA GLY 25 17.065 -6.894 0.616
151 HA3 GLY 25 3HA GLY 25 16.165 -5.987 -0.590
152 HA PRO 26 HA PRO 26 20.606 -4.798 -0.713
153 HB2 PRO 26 2HB PRO 26 21.430 -6.078 -2.982
154 HB3 PRO 26 3HB PRO 26 21.697 -6.716 -1.371
155 HG2 PRO 26 2HG PRO 26 19.737 -7.584 -3.407
156 HG3 PRO 26 3HG PRO 26 20.308 -8.448 -1.994
157 HD2 PRO 26 2HD PRO 26 17.785 -7.116 -2.288
158 HD3 PRO 26 3HD PRO 26 18.403 -7.880 -0.837
159 H ALA 27 H ALA 27 18.082 -4.931 -2.902
160 HA ALA 27 HA ALA 27 19.149 -2.949 -4.697
161 HB1 ALA 27 1HB ALA 27 16.249 -3.653 -4.583
162 HB2 ALA 27 2HB ALA 27 17.257 -3.267 -5.978
163 HB3 ALA 27 3HB ALA 27 17.417 -4.831 -5.179
164 H TYR 28 H TYR 28 17.946 -2.777 -1.627
165 HA TYR 28 HA TYR 28 16.918 -0.046 -2.045
166 HB2 TYR 28 2HB TYR 28 16.140 -2.158 -0.045
167 HB3 TYR 28 3HB TYR 28 15.783 -0.456 0.228
168 HD1 TYR 28 HD2 TYR 28 15.480 -2.882 -2.609
169 HD2 TYR 28 HD1 TYR 28 13.633 0.169 -0.289
170 HE1 TYR 28 HE2 TYR 28 13.437 -3.100 -3.960
171 HE2 TYR 28 HE1 TYR 28 11.584 -0.041 -1.633
172 HH TYR 28 HH TYR 28 11.450 -2.140 -4.462
173 H CYS 29 H CYS 29 18.862 -2.142 0.026
174 HA CYS 29 HA CYS 29 19.884 0.173 1.486
175 HB2 CYS 29 2HB CYS 29 20.193 -2.803 1.882
176 HB3 CYS 29 3HB CYS 29 21.100 -1.619 2.818
177 H GLY 30 H GLY 30 20.777 -2.045 -1.011
178 HA2 GLY 30 2HA GLY 30 22.550 -1.866 -2.497
179 HA3 GLY 30 3HA GLY 30 23.180 -0.535 -1.538
Start of MODEL 6
1 H1 ALA 1 H ALA 1 3.095 -0.876 -3.680
2 HA ALA 1 HA ALA 1 1.878 1.118 -2.101
3 HB1 ALA 1 1HB ALA 1 1.534 -1.604 -0.886
4 HB2 ALA 1 2HB ALA 1 0.832 -0.067 -0.377
5 HB3 ALA 1 3HB ALA 1 0.265 -0.851 -1.852
6 H ALA 2 H ALA 2 3.505 1.983 -1.004
7 HA ALA 2 HA ALA 2 5.351 0.396 0.509
8 HB1 ALA 2 1HB ALA 2 6.150 1.499 -2.127
9 HB2 ALA 2 2HB ALA 2 7.314 1.602 -0.805
10 HB3 ALA 2 3HB ALA 2 6.681 0.033 -1.302
11 H GLY 3 H GLY 3 5.579 3.572 -1.106
12 HA2 GLY 3 2HA GLY 3 4.827 5.513 0.317
13 HA3 GLY 3 3HA GLY 3 5.806 4.782 1.580
14 H GLN 4 H GLN 4 5.869 7.390 -0.057
15 HA GLN 4 HA GLN 4 8.508 7.214 -1.269
16 HB2 GLN 4 2HB GLN 4 6.580 9.531 -1.031
17 HB3 GLN 4 3HB GLN 4 8.110 9.581 -1.897
18 HG2 GLN 4 2HG GLN 4 7.305 8.443 -3.663
19 HG3 GLN 4 3HG GLN 4 6.276 7.413 -2.668
20 HE21 GLN 4 1HE2 GLN 4 4.265 7.628 -3.330
21 HE22 GLN 4 2HE2 GLN 4 3.465 9.117 -3.688
22 H CYS 5 H CYS 5 10.332 8.241 -0.526
23 HA CYS 5 HA CYS 5 10.557 8.603 2.276
24 HB2 CYS 5 2HB CYS 5 12.524 9.545 0.187
25 HB3 CYS 5 3HB CYS 5 12.858 9.132 1.865
26 H TYR 6 H TYR 6 11.068 10.503 3.447
27 HA TYR 6 HA TYR 6 9.980 12.945 2.217
28 HB2 TYR 6 2HB TYR 6 9.724 13.667 4.662
29 HB3 TYR 6 3HB TYR 6 8.642 12.406 4.080
30 HD1 TYR 6 HD2 TYR 6 8.894 10.101 4.842
31 HD2 TYR 6 HD1 TYR 6 11.438 13.184 6.301
32 HE1 TYR 6 HE2 TYR 6 9.613 8.631 6.678
33 HE2 TYR 6 HE1 TYR 6 12.166 11.722 8.140
34 HH TYR 6 HH TYR 6 10.665 9.255 9.232
35 H ARG 7 H ARG 7 11.374 14.494 1.734
36 HA ARG 7 HA ARG 7 13.334 15.655 1.570
37 HB2 ARG 7 2HB ARG 7 12.259 16.347 3.821
38 HB3 ARG 7 3HB ARG 7 13.543 15.395 4.556
39 HG2 ARG 7 2HG ARG 7 14.796 17.048 2.674
40 HG3 ARG 7 3HG ARG 7 13.623 18.062 3.518
41 HD2 ARG 7 2HD ARG 7 14.567 17.089 5.669
42 HD3 ARG 7 3HD ARG 7 15.884 16.458 4.682
43 HE ARG 7 HE ARG 7 15.836 19.081 4.035
44 HH11 ARG 7 1HH1 ARG 7 15.949 17.370 7.065
45 HH12 ARG 7 2HH1 ARG 7 16.838 18.612 7.883
46 HH21 ARG 7 1HH2 ARG 7 17.007 20.723 5.101
47 HH22 ARG 7 2HH2 ARG 7 17.439 20.519 6.765
48 H GLY 8 H GLY 8 13.606 12.802 1.332
49 HA2 GLY 8 2HA GLY 8 15.388 11.371 1.000
50 HA3 GLY 8 3HA GLY 8 16.450 12.616 1.640
51 H ARG 9 H ARG 9 13.674 11.272 3.330
52 HA ARG 9 HA ARG 9 15.406 9.646 5.020
53 HB2 ARG 9 2HB ARG 9 15.402 11.846 6.103
54 HB3 ARG 9 3HB ARG 9 13.644 11.845 6.115
55 HG2 ARG 9 2HG ARG 9 14.412 11.270 8.297
56 HG3 ARG 9 3HG ARG 9 13.714 9.826 7.562
57 HD2 ARG 9 2HD ARG 9 16.449 9.866 6.869
58 HD3 ARG 9 3HD ARG 9 16.351 10.235 8.590
59 HE ARG 9 HE ARG 9 14.700 8.027 7.966
60 HH11 ARG 9 1HH1 ARG 9 18.044 8.922 8.335
61 HH12 ARG 9 2HH1 ARG 9 18.555 7.331 8.792
62 HH21 ARG 9 1HH2 ARG 9 15.360 5.928 8.566
63 HH22 ARG 9 2HH2 ARG 9 17.027 5.628 8.922
64 H CYS 10 H CYS 10 14.350 7.973 6.074
65 HA CYS 10 HA CYS 10 11.461 7.720 5.589
66 HB2 CYS 10 2HB CYS 10 13.588 5.645 5.044
67 HB3 CYS 10 3HB CYS 10 11.870 5.269 5.137
68 H SER 11 H SER 11 10.296 6.883 7.240
69 HA SER 11 HA SER 11 11.573 6.651 9.797
70 HB2 SER 11 2HB SER 11 9.219 7.583 9.278
71 HB3 SER 11 3HB SER 11 8.712 5.895 9.236
72 HG SER 11 HG SER 11 8.619 6.026 11.321
73 H GLY 12 H GLY 12 10.354 4.693 11.160
74 HA2 GLY 12 2HA GLY 12 10.535 2.461 11.664
75 HA3 GLY 12 3HA GLY 12 10.090 2.184 9.986
76 H GLY 13 H GLY 13 12.966 3.984 10.683
77 HA2 GLY 13 2HA GLY 13 15.175 3.539 10.247
78 HA3 GLY 13 3HA GLY 13 14.853 1.957 10.941
79 H LEU 14 H LEU 14 13.089 2.958 8.135
80 HA LEU 14 HA LEU 14 14.164 0.759 6.625
81 HB2 LEU 14 2HB LEU 14 12.058 2.828 6.154
82 HB3 LEU 14 3HB LEU 14 12.647 1.846 4.815
83 HG LEU 14 HG LEU 14 11.475 0.678 7.332
84 HD11 LEU 14 1HD1 LEU 14 10.170 1.683 4.851
85 HD12 LEU 14 2HD1 LEU 14 9.622 1.760 6.525
86 HD13 LEU 14 3HD1 LEU 14 9.530 0.239 5.636
87 HD21 LEU 14 3HD2 LEU 14 11.629 -0.610 4.635
88 HD22 LEU 14 1HD2 LEU 14 11.485 -1.359 6.225
89 HD23 LEU 14 2HD2 LEU 14 13.015 -0.639 5.726
90 H CYS 15 H CYS 15 14.538 1.336 4.150
91 HA CYS 15 HA CYS 15 16.516 3.520 4.083
92 HB2 CYS 15 2HB CYS 15 16.575 0.798 2.783
93 HB3 CYS 15 3HB CYS 15 17.636 2.110 2.280
94 H CYS 16 H CYS 16 16.738 4.690 2.130
95 HA CYS 16 HA CYS 16 14.249 4.901 0.649
96 HB2 CYS 16 2HB CYS 16 15.718 6.850 1.580
97 HB3 CYS 16 3HB CYS 16 16.672 6.591 0.122
98 H SER 17 H SER 17 13.911 4.089 -1.312
99 HA SER 17 HA SER 17 16.022 2.628 -2.633
100 HB2 SER 17 2HB SER 17 14.343 1.678 -3.972
101 HB3 SER 17 3HB SER 17 13.535 1.942 -2.427
102 HG SER 17 HG SER 17 12.205 3.219 -3.413
103 H LYS 18 H LYS 18 16.181 2.842 -5.085
104 HA LYS 18 HA LYS 18 17.070 5.471 -5.692
105 HB2 LYS 18 2HB LYS 18 16.793 2.938 -7.288
106 HB3 LYS 18 3HB LYS 18 17.269 4.445 -8.060
107 HG2 LYS 18 2HG LYS 18 19.005 4.423 -6.018
108 HG3 LYS 18 3HG LYS 18 18.776 2.687 -6.236
109 HD2 LYS 18 2HD LYS 18 19.319 4.453 -8.593
110 HD3 LYS 18 3HD LYS 18 20.645 3.900 -7.567
111 HE2 LYS 18 2HE LYS 18 18.722 1.839 -8.445
112 HE3 LYS 18 3HE LYS 18 19.741 2.537 -9.703
113 HZ1 LYS 18 3HZ LYS 18 20.419 0.588 -7.823
114 HZ2 LYS 18 1HZ LYS 18 21.337 1.965 -7.471
115 HZ3 LYS 18 2HZ LYS 18 21.404 1.275 -9.014
116 H TYR 19 H TYR 19 14.017 4.098 -5.729
117 HA TYR 19 HA TYR 19 13.044 5.852 -7.868
118 HB2 TYR 19 2HB TYR 19 11.982 3.392 -6.544
119 HB3 TYR 19 3HB TYR 19 10.841 4.527 -7.258
120 HD1 TYR 19 HD1 TYR 19 13.560 2.159 -7.948
121 HD2 TYR 19 HD2 TYR 19 10.703 4.811 -9.653
122 HE1 TYR 19 HE1 TYR 19 13.959 1.158 -10.159
123 HE2 TYR 19 HE2 TYR 19 11.093 3.816 -11.869
124 HH TYR 19 HH TYR 19 13.063 2.550 -12.996
125 H GLY 20 H GLY 20 13.702 6.215 -4.758
126 HA2 GLY 20 2HA GLY 20 13.074 7.939 -3.334
127 HA3 GLY 20 3HA GLY 20 11.750 8.319 -4.426
128 H TYR 21 H TYR 21 11.792 5.043 -3.693
129 HA TYR 21 HA TYR 21 9.622 5.430 -1.749
130 HB2 TYR 21 2HB TYR 21 10.236 2.975 -3.404
131 HB3 TYR 21 3HB TYR 21 8.808 3.244 -2.411
132 HD1 TYR 21 HD1 TYR 21 7.898 5.874 -3.094
133 HD2 TYR 21 HD2 TYR 21 9.614 2.917 -5.626
134 HE1 TYR 21 HE1 TYR 21 6.737 6.862 -5.024
135 HE2 TYR 21 HE2 TYR 21 8.459 3.898 -7.563
136 HH TYR 21 HH TYR 21 7.481 6.029 -8.240
137 H CYS 22 H CYS 22 9.692 4.531 0.244
138 HA CYS 22 HA CYS 22 12.237 3.634 1.219
139 HB2 CYS 22 2HB CYS 22 9.616 3.598 2.716
140 HB3 CYS 22 3HB CYS 22 11.241 3.674 3.389
141 H GLY 23 H GLY 23 12.639 1.627 2.304
142 HA2 GLY 23 2HA GLY 23 10.916 -0.552 2.425
143 HA3 GLY 23 3HA GLY 23 11.708 -0.628 0.858
144 H SER 24 H SER 24 12.631 -2.639 1.568
145 HA SER 24 HA SER 24 15.025 -2.215 3.222
146 HB2 SER 24 2HB SER 24 13.200 -3.442 4.471
147 HB3 SER 24 3HB SER 24 13.371 -4.745 3.295
148 HG SER 24 HG SER 24 14.881 -5.414 4.591
149 H GLY 25 H GLY 25 16.241 -4.614 3.009
150 HA2 GLY 25 2HA GLY 25 17.131 -6.194 1.511
151 HA3 GLY 25 3HA GLY 25 16.282 -5.394 0.196
152 HA PRO 26 HA PRO 26 20.695 -4.100 0.246
153 HB2 PRO 26 2HB PRO 26 21.682 -5.511 -1.875
154 HB3 PRO 26 3HB PRO 26 21.867 -6.029 -0.211
155 HG2 PRO 26 2HG PRO 26 20.052 -7.088 -2.291
156 HG3 PRO 26 3HG PRO 26 20.557 -7.837 -0.789
157 HD2 PRO 26 2HD PRO 26 18.026 -6.596 -1.322
158 HD3 PRO 26 3HD PRO 26 18.575 -7.242 0.212
159 H ALA 27 H ALA 27 18.311 -4.453 -2.072
160 HA ALA 27 HA ALA 27 19.438 -2.568 -3.934
161 HB1 ALA 27 1HB ALA 27 17.799 -4.527 -4.401
162 HB2 ALA 27 2HB ALA 27 16.556 -3.363 -3.938
163 HB3 ALA 27 3HB ALA 27 17.626 -3.017 -5.297
164 H TYR 28 H TYR 28 18.046 -2.222 -0.962
165 HA TYR 28 HA TYR 28 16.970 0.440 -1.630
166 HB2 TYR 28 2HB TYR 28 16.138 -1.552 0.469
167 HB3 TYR 28 3HB TYR 28 15.720 0.152 0.602
168 HD1 TYR 28 HD1 TYR 28 15.648 -2.465 -2.076
169 HD2 TYR 28 HD2 TYR 28 13.585 0.671 -0.072
170 HE1 TYR 28 HE1 TYR 28 13.691 -2.839 -3.518
171 HE2 TYR 28 HE2 TYR 28 11.622 0.305 -1.508
172 HH TYR 28 HH TYR 28 10.641 -1.413 -2.882
173 H CYS 29 H CYS 29 18.849 -1.443 0.692
174 HA CYS 29 HA CYS 29 19.722 1.003 2.032
175 HB2 CYS 29 2HB CYS 29 20.068 -1.927 2.666
176 HB3 CYS 29 3HB CYS 29 20.912 -0.661 3.553
177 H GLY 30 H GLY 30 20.815 -1.362 -0.239
178 HA2 GLY 30 2HA GLY 30 23.621 -0.744 0.078
179 HA3 GLY 30 3HA GLY 30 22.911 -1.781 -1.150
Start of MODEL 7
1 H1 ALA 1 H ALA 1 1.381 1.911 -1.698
2 HA ALA 1 HA ALA 1 1.816 -0.803 -1.584
3 HB1 ALA 1 1HB ALA 1 3.269 1.300 -3.174
4 HB2 ALA 1 2HB ALA 1 3.475 -0.433 -3.426
5 HB3 ALA 1 3HB ALA 1 1.899 0.314 -3.684
6 H ALA 2 H ALA 2 3.962 1.802 -0.567
7 HA ALA 2 HA ALA 2 5.436 -0.023 1.109
8 HB1 ALA 2 1HB ALA 2 7.607 0.341 0.155
9 HB2 ALA 2 2HB ALA 2 6.536 -0.273 -1.105
10 HB3 ALA 2 3HB ALA 2 6.941 1.442 -1.052
11 H GLY 3 H GLY 3 5.669 3.218 -0.377
12 HA2 GLY 3 2HA GLY 3 5.068 5.058 1.248
13 HA3 GLY 3 3HA GLY 3 6.227 4.287 2.320
14 H GLN 4 H GLN 4 6.010 6.981 0.844
15 HA GLN 4 HA GLN 4 8.459 6.947 -0.726
16 HB2 GLN 4 2HB GLN 4 6.259 8.911 -0.264
17 HB3 GLN 4 3HB GLN 4 7.828 9.518 -0.778
18 HG2 GLN 4 2HG GLN 4 7.746 8.300 -2.798
19 HG3 GLN 4 3HG GLN 4 6.370 7.345 -2.249
20 HE21 GLN 4 1HE2 GLN 4 6.687 8.999 -4.638
21 HE22 GLN 4 2HE2 GLN 4 5.406 10.157 -4.588
22 H CYS 5 H CYS 5 10.362 7.907 -0.154
23 HA CYS 5 HA CYS 5 10.931 8.170 2.609
24 HB2 CYS 5 2HB CYS 5 12.636 9.182 0.331
25 HB3 CYS 5 3HB CYS 5 13.168 8.702 1.939
26 H TYR 6 H TYR 6 12.145 10.176 3.428
27 HA TYR 6 HA TYR 6 10.827 12.633 2.495
28 HB2 TYR 6 2HB TYR 6 9.697 11.712 4.535
29 HB3 TYR 6 3HB TYR 6 11.213 11.912 5.406
30 HD1 TYR 6 HD1 TYR 6 8.669 13.819 3.468
31 HD2 TYR 6 HD2 TYR 6 11.703 13.942 6.449
32 HE1 TYR 6 HE1 TYR 6 8.050 16.141 3.994
33 HE2 TYR 6 HE2 TYR 6 11.092 16.263 6.984
34 HH TYR 6 HH TYR 6 9.955 18.210 5.695
35 H ARG 7 H ARG 7 12.519 13.685 1.628
36 HA ARG 7 HA ARG 7 14.585 14.629 1.389
37 HB2 ARG 7 2HB ARG 7 13.389 15.915 3.304
38 HB3 ARG 7 3HB ARG 7 14.548 15.108 4.352
39 HG2 ARG 7 2HG ARG 7 16.308 16.053 2.690
40 HG3 ARG 7 3HG ARG 7 15.015 17.169 2.247
41 HD2 ARG 7 2HD ARG 7 15.417 18.398 4.052
42 HD3 ARG 7 3HD ARG 7 15.164 16.997 5.092
43 HE ARG 7 HE ARG 7 17.760 17.035 3.884
44 HH11 ARG 7 1HH1 ARG 7 15.842 18.253 6.523
45 HH12 ARG 7 2HH1 ARG 7 17.204 18.520 7.560
46 HH21 ARG 7 1HH2 ARG 7 19.561 17.383 5.241
47 HH22 ARG 7 2HH2 ARG 7 19.318 18.026 6.830
48 H GLY 8 H GLY 8 14.623 11.799 1.857
49 HA2 GLY 8 2HA GLY 8 16.477 10.354 1.897
50 HA3 GLY 8 3HA GLY 8 17.381 11.575 2.781
51 H ARG 9 H ARG 9 14.193 10.783 3.853
52 HA ARG 9 HA ARG 9 15.338 9.173 6.040
53 HB2 ARG 9 2HB ARG 9 14.476 11.635 6.480
54 HB3 ARG 9 3HB ARG 9 12.906 10.843 6.497
55 HG2 ARG 9 2HG ARG 9 13.316 9.759 8.448
56 HG3 ARG 9 3HG ARG 9 15.050 9.636 8.143
57 HD2 ARG 9 2HD ARG 9 15.329 11.329 9.559
58 HD3 ARG 9 3HD ARG 9 14.555 12.367 8.362
59 HE ARG 9 HE ARG 9 12.662 11.006 10.014
60 HH11 ARG 9 1HH1 ARG 9 14.808 13.742 9.852
61 HH12 ARG 9 2HH1 ARG 9 13.901 14.686 10.987
62 HH21 ARG 9 1HH2 ARG 9 11.459 12.238 11.509
63 HH22 ARG 9 2HH2 ARG 9 11.996 13.829 11.929
64 H CYS 10 H CYS 10 13.872 7.647 7.034
65 HA CYS 10 HA CYS 10 11.426 7.014 5.598
66 HB2 CYS 10 2HB CYS 10 13.864 5.255 5.607
67 HB3 CYS 10 3HB CYS 10 12.252 4.559 5.472
68 H SER 11 H SER 11 10.278 5.140 6.647
69 HA SER 11 HA SER 11 10.439 5.477 9.531
70 HB2 SER 11 2HB SER 11 8.302 4.130 9.501
71 HB3 SER 11 3HB SER 11 8.231 5.652 8.613
72 HG SER 11 HG SER 11 8.571 3.050 7.537
73 H GLY 12 H GLY 12 10.266 3.590 10.965
74 HA2 GLY 12 2HA GLY 12 11.175 1.645 11.783
75 HA3 GLY 12 3HA GLY 12 10.700 0.951 10.239
76 H GLY 13 H GLY 13 13.019 3.562 10.524
77 HA2 GLY 13 2HA GLY 13 15.216 3.690 9.862
78 HA3 GLY 13 3HA GLY 13 15.399 2.171 10.728
79 H LEU 14 H LEU 14 13.331 2.554 7.927
80 HA LEU 14 HA LEU 14 14.647 0.398 6.582
81 HB2 LEU 14 2HB LEU 14 12.368 2.222 5.922
82 HB3 LEU 14 3HB LEU 14 13.047 1.159 4.691
83 HG LEU 14 HG LEU 14 11.960 0.162 7.318
84 HD11 LEU 14 1HD1 LEU 14 10.589 0.647 4.696
85 HD12 LEU 14 2HD1 LEU 14 10.078 1.117 6.317
86 HD13 LEU 14 3HD1 LEU 14 10.019 -0.577 5.830
87 HD21 LEU 14 3HD2 LEU 14 12.285 -1.944 6.518
88 HD22 LEU 14 1HD2 LEU 14 13.609 -1.126 5.688
89 HD23 LEU 14 2HD2 LEU 14 12.102 -1.455 4.833
90 H CYS 15 H CYS 15 14.997 0.791 4.074
91 HA CYS 15 HA CYS 15 16.873 3.050 3.871
92 HB2 CYS 15 2HB CYS 15 16.836 0.352 2.516
93 HB3 CYS 15 3HB CYS 15 17.882 1.667 1.991
94 H CYS 16 H CYS 16 16.937 4.297 1.979
95 HA CYS 16 HA CYS 16 14.376 4.519 0.641
96 HB2 CYS 16 2HB CYS 16 15.866 6.458 1.513
97 HB3 CYS 16 3HB CYS 16 16.782 6.213 0.030
98 H SER 17 H SER 17 13.913 3.746 -1.310
99 HA SER 17 HA SER 17 15.933 2.307 -2.789
100 HB2 SER 17 2HB SER 17 14.170 1.388 -4.040
101 HB3 SER 17 3HB SER 17 13.463 1.620 -2.441
102 HG SER 17 HG SER 17 12.070 2.906 -3.322
103 H LYS 18 H LYS 18 15.941 2.569 -5.241
104 HA LYS 18 HA LYS 18 16.793 5.210 -5.851
105 HB2 LYS 18 2HB LYS 18 17.787 3.215 -6.895
106 HB3 LYS 18 3HB LYS 18 16.262 2.878 -7.704
107 HG2 LYS 18 2HG LYS 18 16.609 4.429 -9.292
108 HG3 LYS 18 3HG LYS 18 17.364 5.563 -8.170
109 HD2 LYS 18 2HD LYS 18 18.797 3.060 -8.966
110 HD3 LYS 18 3HD LYS 18 18.793 4.458 -10.044
111 HE2 LYS 18 2HE LYS 18 20.084 5.709 -8.646
112 HE3 LYS 18 3HE LYS 18 19.453 4.936 -7.193
113 HZ1 LYS 18 3HZ LYS 18 21.571 4.105 -7.279
114 HZ2 LYS 18 1HZ LYS 18 21.622 4.060 -8.970
115 HZ3 LYS 18 2HZ LYS 18 20.739 2.895 -8.118
116 H TYR 19 H TYR 19 13.744 3.837 -5.725
117 HA TYR 19 HA TYR 19 12.641 5.612 -7.781
118 HB2 TYR 19 2HB TYR 19 11.655 3.153 -6.397
119 HB3 TYR 19 3HB TYR 19 10.477 4.296 -7.033
120 HD1 TYR 19 HD2 TYR 19 13.301 2.092 -7.963
121 HD2 TYR 19 HD1 TYR 19 10.014 4.409 -9.353
122 HE1 TYR 19 HE2 TYR 19 13.551 1.096 -10.198
123 HE2 TYR 19 HE1 TYR 19 10.255 3.419 -11.592
124 HH TYR 19 HH TYR 19 12.465 2.278 -12.871
125 H GLY 20 H GLY 20 13.461 5.876 -4.666
126 HA2 GLY 20 2HA GLY 20 12.951 7.632 -3.219
127 HA3 GLY 20 3HA GLY 20 11.554 8.014 -4.213
128 H TYR 21 H TYR 21 11.636 4.737 -3.516
129 HA TYR 21 HA TYR 21 9.628 5.112 -1.402
130 HB2 TYR 21 2HB TYR 21 10.078 2.780 -3.275
131 HB3 TYR 21 3HB TYR 21 8.847 2.838 -2.018
132 HD1 TYR 21 HD1 TYR 21 9.978 4.569 -5.111
133 HD2 TYR 21 HD2 TYR 21 6.745 3.757 -2.467
134 HE1 TYR 21 HE1 TYR 21 8.426 5.639 -6.691
135 HE2 TYR 21 HE2 TYR 21 5.184 4.824 -4.040
136 HH TYR 21 HH TYR 21 5.833 6.842 -6.190
137 H CYS 22 H CYS 22 9.845 4.170 0.561
138 HA CYS 22 HA CYS 22 12.448 3.228 1.312
139 HB2 CYS 22 2HB CYS 22 9.948 3.198 3.005
140 HB3 CYS 22 3HB CYS 22 11.620 3.218 3.557
141 H GLY 23 H GLY 23 12.905 1.195 2.334
142 HA2 GLY 23 2HA GLY 23 11.169 -0.969 2.535
143 HA3 GLY 23 3HA GLY 23 11.850 -1.021 0.915
144 H SER 24 H SER 24 12.804 -3.051 1.510
145 HA SER 24 HA SER 24 15.305 -2.687 3.016
146 HB2 SER 24 2HB SER 24 13.554 -3.939 4.343
147 HB3 SER 24 3HB SER 24 13.639 -5.208 3.122
148 HG SER 24 HG SER 24 15.283 -4.744 5.197
149 H GLY 25 H GLY 25 16.489 -5.082 2.657
150 HA2 GLY 25 2HA GLY 25 17.276 -6.621 1.063
151 HA3 GLY 25 3HA GLY 25 16.342 -5.788 -0.171
152 HA PRO 26 HA PRO 26 20.752 -4.497 -0.385
153 HB2 PRO 26 2HB PRO 26 21.593 -5.858 -2.601
154 HB3 PRO 26 3HB PRO 26 21.887 -6.414 -0.965
155 HG2 PRO 26 2HG PRO 26 19.936 -7.423 -2.943
156 HG3 PRO 26 3HG PRO 26 20.539 -8.208 -1.497
157 HD2 PRO 26 2HD PRO 26 17.980 -6.955 -1.830
158 HD3 PRO 26 3HD PRO 26 18.629 -7.637 -0.352
159 H ALA 27 H ALA 27 18.216 -4.793 -2.545
160 HA ALA 27 HA ALA 27 19.219 -2.868 -4.437
161 HB1 ALA 27 1HB ALA 27 16.868 -3.011 -5.349
162 HB2 ALA 27 2HB ALA 27 17.780 -4.520 -5.325
163 HB3 ALA 27 3HB ALA 27 16.550 -4.214 -4.098
164 H TYR 28 H TYR 28 18.035 -2.587 -1.367
165 HA TYR 28 HA TYR 28 16.930 0.093 -1.899
166 HB2 TYR 28 2HB TYR 28 16.230 -1.944 0.204
167 HB3 TYR 28 3HB TYR 28 15.831 -0.242 0.404
168 HD1 TYR 28 HD1 TYR 28 15.566 -2.799 -2.320
169 HD2 TYR 28 HD2 TYR 28 13.659 0.301 -0.116
170 HE1 TYR 28 HE1 TYR 28 13.515 -3.133 -3.636
171 HE2 TYR 28 HE2 TYR 28 11.603 -0.025 -1.426
172 HH TYR 28 HH TYR 28 11.057 -0.963 -3.791
173 H CYS 29 H CYS 29 18.943 -1.851 0.256
174 HA CYS 29 HA CYS 29 19.920 0.559 1.587
175 HB2 CYS 29 2HB CYS 29 20.296 -2.385 2.131
176 HB3 CYS 29 3HB CYS 29 21.193 -1.139 2.992
177 H GLY 30 H GLY 30 20.846 -1.759 -0.804
178 HA2 GLY 30 2HA GLY 30 22.593 -1.557 -2.331
179 HA3 GLY 30 3HA GLY 30 23.241 -0.232 -1.376
Start of MODEL 8
1 H1 ALA 1 H ALA 1 1.855 2.322 -0.925
2 HA ALA 1 HA ALA 1 2.059 0.123 -2.644
3 HB1 ALA 1 1HB ALA 1 3.739 2.486 -3.472
4 HB2 ALA 1 2HB ALA 1 3.965 0.836 -4.055
5 HB3 ALA 1 3HB ALA 1 2.471 1.702 -4.416
6 H ALA 2 H ALA 2 4.112 2.571 -1.068
7 HA ALA 2 HA ALA 2 5.113 0.623 0.796
8 HB1 ALA 2 1HB ALA 2 6.466 0.379 -1.387
9 HB2 ALA 2 2HB ALA 2 7.215 1.903 -0.910
10 HB3 ALA 2 3HB ALA 2 7.337 0.493 0.142
11 H GLY 3 H GLY 3 5.789 3.814 -0.647
12 HA2 GLY 3 2HA GLY 3 5.204 5.717 0.884
13 HA3 GLY 3 3HA GLY 3 6.138 4.853 2.097
14 H GLN 4 H GLN 4 6.369 7.536 0.603
15 HA GLN 4 HA GLN 4 8.985 7.249 -0.638
16 HB2 GLN 4 2HB GLN 4 7.012 9.499 -0.394
17 HB3 GLN 4 3HB GLN 4 8.671 9.814 -0.885
18 HG2 GLN 4 2HG GLN 4 7.873 7.701 -2.490
19 HG3 GLN 4 3HG GLN 4 6.459 8.750 -2.407
20 HE21 GLN 4 1HE2 GLN 4 6.820 11.043 -2.894
21 HE22 GLN 4 2HE2 GLN 4 7.991 11.456 -4.094
22 H CYS 5 H CYS 5 10.879 8.080 0.155
23 HA CYS 5 HA CYS 5 11.127 8.297 2.970
24 HB2 CYS 5 2HB CYS 5 13.169 9.178 0.926
25 HB3 CYS 5 3HB CYS 5 13.463 8.653 2.581
26 H TYR 6 H TYR 6 12.576 10.249 3.797
27 HA TYR 6 HA TYR 6 11.396 12.765 2.838
28 HB2 TYR 6 2HB TYR 6 11.551 11.780 5.686
29 HB3 TYR 6 3HB TYR 6 11.299 13.474 5.278
30 HD1 TYR 6 HD1 TYR 6 9.420 13.469 3.121
31 HD2 TYR 6 HD2 TYR 6 9.584 10.887 6.499
32 HE1 TYR 6 HE1 TYR 6 7.002 13.065 2.922
33 HE2 TYR 6 HE2 TYR 6 7.167 10.475 6.309
34 HH TYR 6 HH TYR 6 5.109 12.175 5.008
35 H ARG 7 H ARG 7 13.263 13.445 1.844
36 HA ARG 7 HA ARG 7 15.406 14.204 1.607
37 HB2 ARG 7 2HB ARG 7 14.736 15.189 4.383
38 HB3 ARG 7 3HB ARG 7 16.148 15.711 3.473
39 HG2 ARG 7 2HG ARG 7 14.961 17.132 2.231
40 HG3 ARG 7 3HG ARG 7 13.657 15.969 1.983
41 HD2 ARG 7 2HD ARG 7 12.426 16.824 3.649
42 HD3 ARG 7 3HD ARG 7 13.820 16.986 4.716
43 HE ARG 7 HE ARG 7 14.034 18.960 2.771
44 HH11 ARG 7 1HH1 ARG 7 11.888 18.087 5.370
45 HH12 ARG 7 2HH1 ARG 7 11.395 19.718 5.685
46 HH21 ARG 7 1HH2 ARG 7 13.393 21.111 3.175
47 HH22 ARG 7 2HH2 ARG 7 12.251 21.437 4.435
48 H GLY 8 H GLY 8 15.219 11.490 2.496
49 HA2 GLY 8 2HA GLY 8 17.036 10.007 2.849
50 HA3 GLY 8 3HA GLY 8 17.862 11.274 3.744
51 H ARG 9 H ARG 9 14.557 10.836 4.509
52 HA ARG 9 HA ARG 9 15.289 9.252 6.883
53 HB2 ARG 9 2HB ARG 9 13.230 11.461 6.821
54 HB3 ARG 9 3HB ARG 9 13.779 10.563 8.229
55 HG2 ARG 9 2HG ARG 9 15.549 12.346 6.574
56 HG3 ARG 9 3HG ARG 9 14.715 12.856 8.043
57 HD2 ARG 9 2HD ARG 9 15.890 10.733 9.054
58 HD3 ARG 9 3HD ARG 9 17.000 10.973 7.705
59 HE ARG 9 HE ARG 9 16.722 13.430 8.946
60 HH11 ARG 9 1HH1 ARG 9 17.872 10.250 9.773
61 HH12 ARG 9 2HH1 ARG 9 19.025 10.826 10.931
62 HH21 ARG 9 1HH2 ARG 9 18.237 14.201 10.468
63 HH22 ARG 9 2HH2 ARG 9 19.231 13.073 11.326
64 H CYS 10 H CYS 10 14.378 7.318 6.682
65 HA CYS 10 HA CYS 10 11.732 7.113 5.420
66 HB2 CYS 10 2HB CYS 10 14.040 5.228 5.703
67 HB3 CYS 10 3HB CYS 10 12.417 4.572 5.517
68 H SER 11 H SER 11 10.599 4.968 6.348
69 HA SER 11 HA SER 11 9.813 5.657 8.995
70 HB2 SER 11 2HB SER 11 8.312 4.627 7.258
71 HB3 SER 11 3HB SER 11 9.168 3.105 7.503
72 HG SER 11 HG SER 11 7.598 4.548 9.366
73 H GLY 12 H GLY 12 10.434 4.858 10.918
74 HA2 GLY 12 2HA GLY 12 11.767 3.781 12.450
75 HA3 GLY 12 3HA GLY 12 11.415 2.344 11.502
76 H GLY 13 H GLY 13 13.075 1.340 10.565
77 HA2 GLY 13 2HA GLY 13 15.554 2.889 10.140
78 HA3 GLY 13 3HA GLY 13 15.578 1.280 10.848
79 H LEU 14 H LEU 14 13.477 2.242 8.205
80 HA LEU 14 HA LEU 14 14.398 0.063 6.595
81 HB2 LEU 14 2HB LEU 14 12.425 2.283 6.197
82 HB3 LEU 14 3HB LEU 14 12.872 1.216 4.867
83 HG LEU 14 HG LEU 14 11.767 0.175 7.464
84 HD11 LEU 14 1HD1 LEU 14 9.643 0.574 6.856
85 HD12 LEU 14 2HD1 LEU 14 9.973 0.315 5.144
86 HD13 LEU 14 3HD1 LEU 14 10.354 1.867 5.889
87 HD21 LEU 14 3HD2 LEU 14 12.985 -1.131 5.425
88 HD22 LEU 14 1HD2 LEU 14 11.300 -1.194 4.907
89 HD23 LEU 14 2HD2 LEU 14 11.764 -1.845 6.479
90 H CYS 15 H CYS 15 14.757 0.624 4.137
91 HA CYS 15 HA CYS 15 16.871 2.674 4.037
92 HB2 CYS 15 2HB CYS 15 16.620 0.028 2.606
93 HB3 CYS 15 3HB CYS 15 17.777 1.265 2.125
94 H CYS 16 H CYS 16 17.055 3.967 2.186
95 HA CYS 16 HA CYS 16 14.533 4.422 0.824
96 HB2 CYS 16 2HB CYS 16 16.243 6.186 1.796
97 HB3 CYS 16 3HB CYS 16 17.005 5.992 0.221
98 H SER 17 H SER 17 14.061 3.770 -1.170
99 HA SER 17 HA SER 17 16.003 2.245 -2.664
100 HB2 SER 17 2HB SER 17 14.208 1.510 -3.988
101 HB3 SER 17 3HB SER 17 13.481 1.731 -2.396
102 HG SER 17 HG SER 17 12.212 3.159 -3.248
103 H LYS 18 H LYS 18 16.093 2.602 -5.101
104 HA LYS 18 HA LYS 18 17.148 5.196 -5.584
105 HB2 LYS 18 2HB LYS 18 18.022 3.176 -6.687
106 HB3 LYS 18 3HB LYS 18 16.497 2.983 -7.541
107 HG2 LYS 18 2HG LYS 18 16.941 4.663 -9.005
108 HG3 LYS 18 3HG LYS 18 17.917 5.567 -7.844
109 HD2 LYS 18 2HD LYS 18 18.803 2.972 -9.092
110 HD3 LYS 18 3HD LYS 18 19.184 4.556 -9.771
111 HE2 LYS 18 2HE LYS 18 20.970 4.596 -8.445
112 HE3 LYS 18 3HE LYS 18 19.867 4.750 -7.078
113 HZ1 LYS 18 3HZ LYS 18 21.018 2.250 -8.185
114 HZ2 LYS 18 1HZ LYS 18 19.778 2.276 -7.034
115 HZ3 LYS 18 2HZ LYS 18 21.295 2.922 -6.657
116 H TYR 19 H TYR 19 14.006 4.046 -5.583
117 HA TYR 19 HA TYR 19 13.086 5.974 -7.589
118 HB2 TYR 19 2HB TYR 19 11.887 3.547 -6.320
119 HB3 TYR 19 3HB TYR 19 10.813 4.796 -6.940
120 HD1 TYR 19 HD1 TYR 19 13.315 2.263 -7.839
121 HD2 TYR 19 HD2 TYR 19 10.596 5.185 -9.313
122 HE1 TYR 19 HE1 TYR 19 13.547 1.328 -10.102
123 HE2 TYR 19 HE2 TYR 19 10.820 4.258 -11.580
124 HH TYR 19 HH TYR 19 13.065 2.637 -12.690
125 H GLY 20 H GLY 20 13.847 6.062 -4.450
126 HA2 GLY 20 2HA GLY 20 13.435 7.798 -2.949
127 HA3 GLY 20 3HA GLY 20 12.091 8.316 -3.956
128 H TYR 21 H TYR 21 11.912 5.021 -3.388
129 HA TYR 21 HA TYR 21 9.892 5.465 -1.299
130 HB2 TYR 21 2HB TYR 21 10.218 3.172 -3.246
131 HB3 TYR 21 3HB TYR 21 8.965 3.277 -2.015
132 HD1 TYR 21 HD1 TYR 21 10.295 5.033 -5.014
133 HD2 TYR 21 HD2 TYR 21 6.945 4.356 -2.481
134 HE1 TYR 21 HE1 TYR 21 8.863 6.267 -6.588
135 HE2 TYR 21 HE2 TYR 21 5.503 5.587 -4.048
136 HH TYR 21 HH TYR 21 6.004 7.512 -5.883
137 H CYS 22 H CYS 22 10.001 4.447 0.633
138 HA CYS 22 HA CYS 22 12.511 3.288 1.399
139 HB2 CYS 22 2HB CYS 22 9.971 3.410 3.031
140 HB3 CYS 22 3HB CYS 22 11.619 3.244 3.629
141 H GLY 23 H GLY 23 12.777 1.196 2.388
142 HA2 GLY 23 2HA GLY 23 10.888 -0.838 2.469
143 HA3 GLY 23 3HA GLY 23 11.600 -0.889 0.862
144 H SER 24 H SER 24 12.387 -3.002 1.406
145 HA SER 24 HA SER 24 14.876 -2.875 2.968
146 HB2 SER 24 2HB SER 24 13.010 -4.026 4.228
147 HB3 SER 24 3HB SER 24 13.023 -5.264 2.973
148 HG SER 24 HG SER 24 14.675 -4.957 5.083
149 H GLY 25 H GLY 25 15.877 -5.347 2.559
150 HA2 GLY 25 2HA GLY 25 16.580 -6.895 0.936
151 HA3 GLY 25 3HA GLY 25 15.729 -5.964 -0.288
152 HA PRO 26 HA PRO 26 20.224 -4.996 -0.407
153 HB2 PRO 26 2HB PRO 26 20.995 -6.353 -2.651
154 HB3 PRO 26 3HB PRO 26 21.223 -6.975 -1.029
155 HG2 PRO 26 2HG PRO 26 19.232 -7.781 -3.060
156 HG3 PRO 26 3HG PRO 26 19.754 -8.648 -1.630
157 HD2 PRO 26 2HD PRO 26 17.300 -7.200 -1.959
158 HD3 PRO 26 3HD PRO 26 17.874 -7.969 -0.493
159 H ALA 27 H ALA 27 17.703 -5.037 -2.601
160 HA ALA 27 HA ALA 27 18.873 -3.145 -4.429
161 HB1 ALA 27 1HB ALA 27 16.016 -4.079 -4.169
162 HB2 ALA 27 2HB ALA 27 16.686 -3.150 -5.511
163 HB3 ALA 27 3HB ALA 27 17.249 -4.793 -5.210
164 H TYR 28 H TYR 28 17.675 -2.858 -1.364
165 HA TYR 28 HA TYR 28 16.798 -0.082 -1.830
166 HB2 TYR 28 2HB TYR 28 15.898 -2.116 0.200
167 HB3 TYR 28 3HB TYR 28 15.633 -0.393 0.443
168 HD1 TYR 28 HD1 TYR 28 15.209 -2.850 -2.352
169 HD2 TYR 28 HD2 TYR 28 13.526 0.345 -0.102
170 HE1 TYR 28 HE1 TYR 28 13.163 -2.980 -3.710
171 HE2 TYR 28 HE2 TYR 28 11.474 0.222 -1.452
172 HH TYR 28 HH TYR 28 11.079 -0.788 -4.109
173 H CYS 29 H CYS 29 18.614 -2.248 0.286
174 HA CYS 29 HA CYS 29 19.757 0.032 1.711
175 HB2 CYS 29 2HB CYS 29 19.899 -2.949 2.159
176 HB3 CYS 29 3HB CYS 29 20.866 -1.802 3.080
177 H GLY 30 H GLY 30 20.535 -2.272 -0.745
178 HA2 GLY 30 2HA GLY 30 23.397 -1.884 -0.542
179 HA3 GLY 30 3HA GLY 30 22.551 -2.816 -1.769
Start of MODEL 9
1 H1 ALA 1 H ALA 1 7.876 -2.577 3.259
2 HA ALA 1 HA ALA 1 8.339 -0.084 1.992
3 HB1 ALA 1 1HB ALA 1 8.455 -1.818 0.497
4 HB2 ALA 1 2HB ALA 1 7.068 -2.657 1.194
5 HB3 ALA 1 3HB ALA 1 6.821 -1.232 0.185
6 H ALA 2 H ALA 2 7.164 1.344 3.433
7 HA ALA 2 HA ALA 2 4.276 1.187 3.470
8 HB1 ALA 2 1HB ALA 2 4.683 3.534 4.604
9 HB2 ALA 2 2HB ALA 2 4.979 2.028 5.474
10 HB3 ALA 2 3HB ALA 2 6.327 2.912 4.758
11 H GLY 3 H GLY 3 6.314 4.013 2.751
12 HA2 GLY 3 2HA GLY 3 4.863 4.375 0.224
13 HA3 GLY 3 3HA GLY 3 4.819 5.670 1.411
14 H GLN 4 H GLN 4 5.977 7.245 0.459
15 HA GLN 4 HA GLN 4 8.495 6.611 -0.854
16 HB2 GLN 4 2HB GLN 4 6.685 8.971 -0.749
17 HB3 GLN 4 3HB GLN 4 8.389 9.267 -1.066
18 HG2 GLN 4 2HG GLN 4 8.179 7.514 -2.901
19 HG3 GLN 4 3HG GLN 4 6.437 7.676 -2.690
20 HE21 GLN 4 1HE2 GLN 4 5.660 8.839 -4.293
21 HE22 GLN 4 2HE2 GLN 4 6.337 10.304 -4.910
22 H CYS 5 H CYS 5 10.350 8.183 -0.412
23 HA CYS 5 HA CYS 5 10.967 8.017 2.400
24 HB2 CYS 5 2HB CYS 5 12.659 9.274 0.239
25 HB3 CYS 5 3HB CYS 5 13.193 8.628 1.787
26 H TYR 6 H TYR 6 12.130 9.955 3.412
27 HA TYR 6 HA TYR 6 10.780 12.468 2.697
28 HB2 TYR 6 2HB TYR 6 9.618 11.399 4.613
29 HB3 TYR 6 3HB TYR 6 11.128 11.427 5.517
30 HD1 TYR 6 HD1 TYR 6 9.085 13.858 3.530
31 HD2 TYR 6 HD2 TYR 6 11.284 13.094 7.092
32 HE1 TYR 6 HE1 TYR 6 8.551 16.119 4.337
33 HE2 TYR 6 HE2 TYR 6 10.756 15.352 7.909
34 HH TYR 6 HH TYR 6 9.526 17.778 5.942
35 H ARG 7 H ARG 7 12.417 13.694 2.001
36 HA ARG 7 HA ARG 7 14.458 14.711 1.870
37 HB2 ARG 7 2HB ARG 7 13.758 14.830 4.788
38 HB3 ARG 7 3HB ARG 7 15.267 15.518 4.203
39 HG2 ARG 7 2HG ARG 7 14.247 17.269 3.225
40 HG3 ARG 7 3HG ARG 7 12.850 16.313 2.726
41 HD2 ARG 7 2HD ARG 7 11.679 17.095 4.443
42 HD3 ARG 7 3HD ARG 7 12.879 16.461 5.569
43 HE ARG 7 HE ARG 7 12.573 19.190 4.711
44 HH11 ARG 7 1HH1 ARG 7 14.759 16.821 6.026
45 HH12 ARG 7 2HH1 ARG 7 15.796 17.997 6.764
46 HH21 ARG 7 1HH2 ARG 7 13.930 20.747 5.679
47 HH22 ARG 7 2HH2 ARG 7 15.323 20.229 6.567
48 H GLY 8 H GLY 8 14.567 11.849 1.927
49 HA2 GLY 8 2HA GLY 8 16.374 10.384 1.794
50 HA3 GLY 8 3HA GLY 8 17.355 11.554 2.663
51 H ARG 9 H ARG 9 14.254 10.540 3.883
52 HA ARG 9 HA ARG 9 15.473 8.625 5.710
53 HB2 ARG 9 2HB ARG 9 14.143 11.188 6.574
54 HB3 ARG 9 3HB ARG 9 14.269 9.795 7.640
55 HG2 ARG 9 2HG ARG 9 16.216 10.649 8.284
56 HG3 ARG 9 3HG ARG 9 16.843 10.111 6.724
57 HD2 ARG 9 2HD ARG 9 16.834 12.209 5.842
58 HD3 ARG 9 3HD ARG 9 15.442 12.720 6.795
59 HE ARG 9 HE ARG 9 18.171 13.098 7.453
60 HH11 ARG 9 1HH1 ARG 9 15.073 12.380 8.871
61 HH12 ARG 9 2HH1 ARG 9 15.475 13.061 10.413
62 HH21 ARG 9 1HH2 ARG 9 18.712 13.997 9.479
63 HH22 ARG 9 2HH2 ARG 9 17.545 13.981 10.757
64 H CYS 10 H CYS 10 14.208 6.900 5.826
65 HA CYS 10 HA CYS 10 11.370 7.184 5.124
66 HB2 CYS 10 2HB CYS 10 13.302 4.881 4.980
67 HB3 CYS 10 3HB CYS 10 11.562 4.613 4.926
68 H SER 11 H SER 11 9.878 5.628 6.252
69 HA SER 11 HA SER 11 10.395 5.779 9.126
70 HB2 SER 11 2HB SER 11 8.281 6.729 8.227
71 HB3 SER 11 3HB SER 11 7.820 5.118 7.675
72 HG SER 11 HG SER 11 8.342 5.857 10.367
73 H GLY 12 H GLY 12 9.280 3.903 10.394
74 HA2 GLY 12 2HA GLY 12 9.382 1.696 11.013
75 HA3 GLY 12 3HA GLY 12 9.076 1.331 9.321
76 H GLY 13 H GLY 13 11.886 3.181 10.102
77 HA2 GLY 13 2HA GLY 13 14.127 2.706 9.969
78 HA3 GLY 13 3HA GLY 13 13.723 1.112 10.590
79 H LEU 14 H LEU 14 12.191 2.097 7.672
80 HA LEU 14 HA LEU 14 13.408 -0.050 6.223
81 HB2 LEU 14 2HB LEU 14 11.434 2.097 5.531
82 HB3 LEU 14 3HB LEU 14 12.097 1.036 4.290
83 HG LEU 14 HG LEU 14 10.614 0.040 6.717
84 HD11 LEU 14 1HD1 LEU 14 8.673 -0.204 5.316
85 HD12 LEU 14 2HD1 LEU 14 9.547 0.443 3.928
86 HD13 LEU 14 3HD1 LEU 14 9.186 1.484 5.305
87 HD21 LEU 14 3HD2 LEU 14 11.172 -1.986 6.006
88 HD22 LEU 14 1HD2 LEU 14 12.204 -1.244 4.784
89 HD23 LEU 14 2HD2 LEU 14 10.528 -1.639 4.401
90 H CYS 15 H CYS 15 14.087 0.521 3.835
91 HA CYS 15 HA CYS 15 16.159 2.603 4.041
92 HB2 CYS 15 2HB CYS 15 16.080 0.030 2.461
93 HB3 CYS 15 3HB CYS 15 17.298 1.276 2.209
94 H CYS 16 H CYS 16 16.529 3.992 2.301
95 HA CYS 16 HA CYS 16 14.187 4.501 0.672
96 HB2 CYS 16 2HB CYS 16 15.547 6.293 1.870
97 HB3 CYS 16 3HB CYS 16 16.782 6.039 0.641
98 H SER 17 H SER 17 13.938 3.883 -1.369
99 HA SER 17 HA SER 17 16.061 2.454 -2.704
100 HB2 SER 17 2HB SER 17 14.430 1.723 -4.226
101 HB3 SER 17 3HB SER 17 13.537 1.879 -2.713
102 HG SER 17 HG SER 17 12.323 3.290 -3.663
103 H LYS 18 H LYS 18 16.394 2.897 -5.104
104 HA LYS 18 HA LYS 18 17.424 5.530 -5.392
105 HB2 LYS 18 2HB LYS 18 17.083 3.277 -7.375
106 HB3 LYS 18 3HB LYS 18 17.900 4.789 -7.749
107 HG2 LYS 18 2HG LYS 18 19.745 4.248 -6.560
108 HG3 LYS 18 3HG LYS 18 18.836 3.339 -5.351
109 HD2 LYS 18 2HD LYS 18 20.196 1.804 -6.602
110 HD3 LYS 18 3HD LYS 18 18.507 1.541 -7.040
111 HE2 LYS 18 2HE LYS 18 18.769 2.519 -9.132
112 HE3 LYS 18 3HE LYS 18 20.224 3.390 -8.650
113 HZ1 LYS 18 3HZ LYS 18 21.457 1.725 -9.391
114 HZ2 LYS 18 1HZ LYS 18 20.065 0.942 -9.949
115 HZ3 LYS 18 2HZ LYS 18 20.654 0.616 -8.398
116 H TYR 19 H TYR 19 14.330 4.310 -5.752
117 HA TYR 19 HA TYR 19 13.572 6.287 -7.780
118 HB2 TYR 19 2HB TYR 19 12.315 3.784 -6.734
119 HB3 TYR 19 3HB TYR 19 11.280 5.029 -7.426
120 HD1 TYR 19 HD2 TYR 19 11.773 5.802 -9.805
121 HD2 TYR 19 HD1 TYR 19 13.477 2.287 -8.116
122 HE1 TYR 19 HE2 TYR 19 12.271 4.964 -12.063
123 HE2 TYR 19 HE1 TYR 19 13.980 1.441 -10.370
124 HH TYR 19 HH TYR 19 14.202 2.104 -12.578
125 H GLY 20 H GLY 20 14.000 6.280 -4.579
126 HA2 GLY 20 2HA GLY 20 13.376 7.935 -3.064
127 HA3 GLY 20 3HA GLY 20 12.139 8.468 -4.193
128 H TYR 21 H TYR 21 11.993 5.145 -3.763
129 HA TYR 21 HA TYR 21 9.737 5.463 -1.904
130 HB2 TYR 21 2HB TYR 21 10.340 3.266 -3.894
131 HB3 TYR 21 3HB TYR 21 8.963 3.275 -2.798
132 HD1 TYR 21 HD1 TYR 21 10.531 5.183 -5.579
133 HD2 TYR 21 HD2 TYR 21 6.970 4.340 -3.408
134 HE1 TYR 21 HE1 TYR 21 9.227 6.446 -7.239
135 HE2 TYR 21 HE2 TYR 21 5.656 5.599 -5.062
136 HH TYR 21 HH TYR 21 7.179 7.491 -7.563
137 H CYS 22 H CYS 22 9.630 4.333 -0.027
138 HA CYS 22 HA CYS 22 12.074 3.234 0.998
139 HB2 CYS 22 2HB CYS 22 9.360 3.130 2.314
140 HB3 CYS 22 3HB CYS 22 10.938 3.072 3.092
141 H GLY 23 H GLY 23 12.342 1.105 1.869
142 HA2 GLY 23 2HA GLY 23 10.549 -1.008 1.637
143 HA3 GLY 23 3HA GLY 23 11.438 -0.937 0.123
144 H SER 24 H SER 24 12.228 -3.061 0.679
145 HA SER 24 HA SER 24 14.534 -2.911 2.500
146 HB2 SER 24 2HB SER 24 12.594 -4.190 3.497
147 HB3 SER 24 3HB SER 24 12.793 -5.365 2.196
148 HG SER 24 HG SER 24 14.022 -6.160 3.798
149 H GLY 25 H GLY 25 15.683 -5.315 2.097
150 HA2 GLY 25 2HA GLY 25 16.605 -6.763 0.485
151 HA3 GLY 25 3HA GLY 25 15.878 -5.782 -0.779
152 HA PRO 26 HA PRO 26 20.325 -4.706 -0.301
153 HB2 PRO 26 2HB PRO 26 21.401 -5.917 -2.501
154 HB3 PRO 26 3HB PRO 26 21.451 -6.623 -0.898
155 HG2 PRO 26 2HG PRO 26 19.744 -7.362 -3.196
156 HG3 PRO 26 3HG PRO 26 20.116 -8.295 -1.760
157 HD2 PRO 26 2HD PRO 26 17.677 -6.889 -2.310
158 HD3 PRO 26 3HD PRO 26 18.094 -7.725 -0.827
159 H ALA 27 H ALA 27 18.100 -4.698 -2.801
160 HA ALA 27 HA ALA 27 19.424 -2.663 -4.352
161 HB1 ALA 27 1HB ALA 27 16.554 -3.548 -4.572
162 HB2 ALA 27 2HB ALA 27 17.540 -2.756 -5.802
163 HB3 ALA 27 3HB ALA 27 17.902 -4.411 -5.313
164 H TYR 28 H TYR 28 17.835 -2.594 -1.463
165 HA TYR 28 HA TYR 28 16.887 0.162 -1.898
166 HB2 TYR 28 2HB TYR 28 15.853 -2.015 -0.094
167 HB3 TYR 28 3HB TYR 28 15.475 -0.321 0.199
168 HD1 TYR 28 HD2 TYR 28 15.518 -2.627 -2.752
169 HD2 TYR 28 HD1 TYR 28 13.406 0.339 -0.551
170 HE1 TYR 28 HE2 TYR 28 13.658 -2.772 -4.354
171 HE2 TYR 28 HE1 TYR 28 11.539 0.201 -2.147
172 HH TYR 28 HH TYR 28 10.946 -0.552 -4.227
173 H CYS 29 H CYS 29 18.544 -2.031 0.317
174 HA CYS 29 HA CYS 29 19.391 0.217 1.979
175 HB2 CYS 29 2HB CYS 29 19.693 -2.773 2.304
176 HB3 CYS 29 3HB CYS 29 20.382 -1.596 3.418
177 H GLY 30 H GLY 30 20.575 -1.924 -0.464
178 HA2 GLY 30 2HA GLY 30 23.368 -1.412 0.102
179 HA3 GLY 30 3HA GLY 30 22.726 -2.324 -1.256
Start of MODEL 10
1 H1 ALA 1 H ALA 1 4.896 3.185 -3.488
2 HA ALA 1 HA ALA 1 2.218 3.278 -2.789
3 HB1 ALA 1 1HB ALA 1 1.250 1.269 -3.299
4 HB2 ALA 1 2HB ALA 1 2.281 1.484 -4.714
5 HB3 ALA 1 3HB ALA 1 2.795 0.424 -3.402
6 H ALA 2 H ALA 2 5.277 1.597 -2.508
7 HA ALA 2 HA ALA 2 4.862 0.435 0.031
8 HB1 ALA 2 1HB ALA 2 6.648 -0.351 -1.357
9 HB2 ALA 2 2HB ALA 2 7.402 1.244 -1.376
10 HB3 ALA 2 3HB ALA 2 7.347 0.312 0.120
11 H GLY 3 H GLY 3 5.827 3.640 -0.988
12 HA2 GLY 3 2HA GLY 3 5.130 5.302 0.824
13 HA3 GLY 3 3HA GLY 3 6.249 4.395 1.831
14 H GLN 4 H GLN 4 6.105 7.243 0.663
15 HA GLN 4 HA GLN 4 8.598 7.347 -0.835
16 HB2 GLN 4 2HB GLN 4 6.875 9.663 0.047
17 HB3 GLN 4 3HB GLN 4 8.101 9.661 -1.215
18 HG2 GLN 4 2HG GLN 4 6.535 7.797 -2.236
19 HG3 GLN 4 3HG GLN 4 5.323 8.625 -1.260
20 HE21 GLN 4 1HE2 GLN 4 4.374 10.345 -2.103
21 HE22 GLN 4 2HE2 GLN 4 4.920 11.223 -3.487
22 H CYS 5 H CYS 5 10.506 8.118 -0.084
23 HA CYS 5 HA CYS 5 10.963 8.121 2.712
24 HB2 CYS 5 2HB CYS 5 12.780 9.180 0.539
25 HB3 CYS 5 3HB CYS 5 13.256 8.686 2.160
26 H TYR 6 H TYR 6 11.782 9.865 4.012
27 HA TYR 6 HA TYR 6 10.614 12.453 3.243
28 HB2 TYR 6 2HB TYR 6 9.849 11.193 5.359
29 HB3 TYR 6 3HB TYR 6 11.396 11.678 6.044
30 HD1 TYR 6 HD1 TYR 6 8.377 13.105 4.382
31 HD2 TYR 6 HD2 TYR 6 11.580 13.734 7.111
32 HE1 TYR 6 HE1 TYR 6 7.410 15.279 5.006
33 HE2 TYR 6 HE2 TYR 6 10.622 15.909 7.743
34 HH TYR 6 HH TYR 6 9.129 17.563 6.949
35 H ARG 7 H ARG 7 11.976 14.004 2.681
36 HA ARG 7 HA ARG 7 13.926 15.135 2.319
37 HB2 ARG 7 2HB ARG 7 14.249 14.546 5.267
38 HB3 ARG 7 3HB ARG 7 15.130 15.777 4.373
39 HG2 ARG 7 2HG ARG 7 12.134 15.761 4.551
40 HG3 ARG 7 3HG ARG 7 13.155 16.551 5.754
41 HD2 ARG 7 2HD ARG 7 13.343 18.332 4.444
42 HD3 ARG 7 3HD ARG 7 14.047 17.335 3.172
43 HE ARG 7 HE ARG 7 12.056 17.433 2.060
44 HH11 ARG 7 1HH1 ARG 7 11.524 18.291 5.391
45 HH12 ARG 7 2HH1 ARG 7 9.867 18.738 5.147
46 HH21 ARG 7 1HH2 ARG 7 9.877 18.018 1.726
47 HH22 ARG 7 2HH2 ARG 7 8.932 18.582 3.062
48 H GLY 8 H GLY 8 14.064 12.335 1.740
49 HA2 GLY 8 2HA GLY 8 15.722 10.913 0.993
50 HA3 GLY 8 3HA GLY 8 16.913 12.055 1.599
51 H ARG 9 H ARG 9 14.372 10.621 3.554
52 HA ARG 9 HA ARG 9 16.158 8.656 4.702
53 HB2 ARG 9 2HB ARG 9 16.490 11.008 5.822
54 HB3 ARG 9 3HB ARG 9 14.984 10.612 6.640
55 HG2 ARG 9 2HG ARG 9 16.459 8.329 6.981
56 HG3 ARG 9 3HG ARG 9 17.679 9.600 7.080
57 HD2 ARG 9 2HD ARG 9 15.166 9.348 8.723
58 HD3 ARG 9 3HD ARG 9 16.829 9.173 9.284
59 HE ARG 9 HE ARG 9 15.391 11.622 8.862
60 HH11 ARG 9 1HH1 ARG 9 18.541 10.147 9.005
61 HH12 ARG 9 2HH1 ARG 9 19.357 11.622 9.404
62 HH21 ARG 9 1HH2 ARG 9 16.454 13.571 9.387
63 HH22 ARG 9 2HH2 ARG 9 18.169 13.569 9.622
64 H CYS 10 H CYS 10 15.065 6.945 5.492
65 HA CYS 10 HA CYS 10 12.138 7.112 5.468
66 HB2 CYS 10 2HB CYS 10 14.026 4.757 5.320
67 HB3 CYS 10 3HB CYS 10 12.278 4.594 5.449
68 H SER 11 H SER 11 11.170 5.348 7.056
69 HA SER 11 HA SER 11 11.589 6.335 9.665
70 HB2 SER 11 2HB SER 11 10.271 3.688 9.132
71 HB3 SER 11 3HB SER 11 9.859 4.910 10.335
72 HG SER 11 HG SER 11 9.264 4.823 7.599
73 H GLY 12 H GLY 12 12.491 5.362 11.497
74 HA2 GLY 12 2HA GLY 12 14.942 4.121 11.219
75 HA3 GLY 12 3HA GLY 12 13.977 4.076 12.687
76 H GLY 13 H GLY 13 15.160 2.302 10.016
77 HA2 GLY 13 2HA GLY 13 15.187 -0.169 10.698
78 HA3 GLY 13 3HA GLY 13 13.438 0.009 10.698
79 H LEU 14 H LEU 14 13.310 1.729 8.398
80 HA LEU 14 HA LEU 14 13.678 -0.312 6.344
81 HB2 LEU 14 2HB LEU 14 12.084 2.228 6.486
82 HB3 LEU 14 3HB LEU 14 12.326 1.366 4.968
83 HG LEU 14 HG LEU 14 10.988 0.217 7.416
84 HD11 LEU 14 1HD1 LEU 14 8.965 0.814 6.595
85 HD12 LEU 14 2HD1 LEU 14 9.498 0.740 4.916
86 HD13 LEU 14 3HD1 LEU 14 9.908 2.138 5.910
87 HD21 LEU 14 3HD2 LEU 14 11.836 -1.606 6.257
88 HD22 LEU 14 1HD2 LEU 14 11.601 -0.843 4.684
89 HD23 LEU 14 2HD2 LEU 14 10.211 -1.439 5.590
90 H CYS 15 H CYS 15 14.160 0.686 4.077
91 HA CYS 15 HA CYS 15 16.358 2.628 4.321
92 HB2 CYS 15 2HB CYS 15 16.340 0.021 2.799
93 HB3 CYS 15 3HB CYS 15 17.511 1.299 2.489
94 H CYS 16 H CYS 16 16.701 3.983 2.541
95 HA CYS 16 HA CYS 16 14.333 4.429 0.933
96 HB2 CYS 16 2HB CYS 16 15.788 6.230 2.090
97 HB3 CYS 16 3HB CYS 16 16.885 6.008 0.730
98 H SER 17 H SER 17 14.065 3.796 -1.103
99 HA SER 17 HA SER 17 16.171 2.334 -2.432
100 HB2 SER 17 2HB SER 17 14.523 1.587 -3.930
101 HB3 SER 17 3HB SER 17 13.648 1.762 -2.409
102 HG SER 17 HG SER 17 12.433 3.182 -3.346
103 H LYS 18 H LYS 18 16.470 2.735 -4.848
104 HA LYS 18 HA LYS 18 17.516 5.354 -5.191
105 HB2 LYS 18 2HB LYS 18 18.522 3.371 -6.245
106 HB3 LYS 18 3HB LYS 18 17.083 3.168 -7.236
107 HG2 LYS 18 2HG LYS 18 17.653 4.836 -8.649
108 HG3 LYS 18 3HG LYS 18 18.423 5.796 -7.383
109 HD2 LYS 18 2HD LYS 18 20.267 5.153 -8.578
110 HD3 LYS 18 3HD LYS 18 20.170 3.822 -7.423
111 HE2 LYS 18 2HE LYS 18 18.827 3.696 -10.106
112 HE3 LYS 18 3HE LYS 18 20.516 3.238 -9.891
113 HZ1 LYS 18 3HZ LYS 18 18.168 1.766 -9.270
114 HZ2 LYS 18 1HZ LYS 18 19.140 1.937 -7.896
115 HZ3 LYS 18 2HZ LYS 18 19.778 1.247 -9.302
116 H TYR 19 H TYR 19 14.408 4.152 -5.490
117 HA TYR 19 HA TYR 19 13.636 6.107 -7.534
118 HB2 TYR 19 2HB TYR 19 12.401 3.613 -6.457
119 HB3 TYR 19 3HB TYR 19 11.336 4.860 -7.097
120 HD1 TYR 19 HD1 TYR 19 11.579 5.571 -9.483
121 HD2 TYR 19 HD2 TYR 19 13.664 2.217 -7.900
122 HE1 TYR 19 HE1 TYR 19 11.991 4.757 -11.767
123 HE2 TYR 19 HE2 TYR 19 14.082 1.394 -10.180
124 HH TYR 19 HH TYR 19 12.460 2.321 -12.795
125 H GLY 20 H GLY 20 14.128 6.170 -4.355
126 HA2 GLY 20 2HA GLY 20 13.532 7.844 -2.852
127 HA3 GLY 20 3HA GLY 20 12.280 8.365 -3.970
128 H TYR 21 H TYR 21 12.128 5.050 -3.475
129 HA TYR 21 HA TYR 21 9.904 5.411 -1.587
130 HB2 TYR 21 2HB TYR 21 10.450 3.131 -3.499
131 HB3 TYR 21 3HB TYR 21 9.050 3.268 -2.440
132 HD1 TYR 21 HD1 TYR 21 8.300 6.086 -2.769
133 HD2 TYR 21 HD2 TYR 21 9.606 3.254 -5.662
134 HE1 TYR 21 HE1 TYR 21 7.095 7.327 -4.518
135 HE2 TYR 21 HE2 TYR 21 8.406 4.487 -7.420
136 HH TYR 21 HH TYR 21 7.340 6.414 -7.917
137 H CYS 22 H CYS 22 9.849 4.349 0.324
138 HA CYS 22 HA CYS 22 12.297 3.223 1.304
139 HB2 CYS 22 2HB CYS 22 9.584 3.340 2.637
140 HB3 CYS 22 3HB CYS 22 11.123 3.024 3.431
141 H GLY 23 H GLY 23 12.482 1.112 2.310
142 HA2 GLY 23 2HA GLY 23 10.654 -0.961 2.143
143 HA3 GLY 23 3HA GLY 23 11.519 -0.959 0.613
144 H SER 24 H SER 24 12.297 -3.069 1.184
145 HA SER 24 HA SER 24 14.622 -2.928 2.980
146 HB2 SER 24 2HB SER 24 12.671 -4.140 4.036
147 HB3 SER 24 3HB SER 24 12.824 -5.350 2.763
148 HG SER 24 HG SER 24 14.474 -4.832 4.942
149 H GLY 25 H GLY 25 15.708 -5.371 2.621
150 HA2 GLY 25 2HA GLY 25 16.596 -6.869 1.044
151 HA3 GLY 25 3HA GLY 25 15.844 -5.932 -0.238
152 HA PRO 26 HA PRO 26 20.307 -4.870 0.085
153 HB2 PRO 26 2HB PRO 26 21.316 -6.165 -2.100
154 HB3 PRO 26 3HB PRO 26 21.404 -6.815 -0.475
155 HG2 PRO 26 2HG PRO 26 19.631 -7.620 -2.700
156 HG3 PRO 26 3HG PRO 26 20.035 -8.506 -1.242
157 HD2 PRO 26 2HD PRO 26 17.592 -7.101 -1.775
158 HD3 PRO 26 3HD PRO 26 18.043 -7.888 -0.276
159 H ALA 27 H ALA 27 18.003 -4.917 -2.336
160 HA ALA 27 HA ALA 27 19.298 -2.967 -4.012
161 HB1 ALA 27 1HB ALA 27 16.635 -4.324 -4.022
162 HB2 ALA 27 2HB ALA 27 16.912 -2.911 -5.040
163 HB3 ALA 27 3HB ALA 27 17.912 -4.350 -5.239
164 H TYR 28 H TYR 28 17.814 -2.764 -1.068
165 HA TYR 28 HA TYR 28 16.927 0.003 -1.564
166 HB2 TYR 28 2HB TYR 28 15.882 -2.087 0.335
167 HB3 TYR 28 3HB TYR 28 15.560 -0.374 0.583
168 HD1 TYR 28 HD2 TYR 28 15.450 -2.784 -2.282
169 HD2 TYR 28 HD1 TYR 28 13.498 0.334 -0.144
170 HE1 TYR 28 HE2 TYR 28 13.544 -2.925 -3.829
171 HE2 TYR 28 HE1 TYR 28 11.585 0.201 -1.684
172 HH TYR 28 HH TYR 28 10.599 -1.087 -3.288
173 H CYS 29 H CYS 29 18.577 -2.170 0.677
174 HA CYS 29 HA CYS 29 19.536 0.102 2.243
175 HB2 CYS 29 2HB CYS 29 19.703 -2.884 2.654
176 HB3 CYS 29 3HB CYS 29 20.538 -1.729 3.687
177 H GLY 30 H GLY 30 20.586 -2.139 -0.168
178 HA2 GLY 30 2HA GLY 30 22.503 -2.013 -1.473
179 HA3 GLY 30 3HA GLY 30 23.094 -0.729 -0.429
Start of MODEL 11
1 H1 ALA 1 H ALA 1 0.184 -1.157 -0.117
2 HA ALA 1 HA ALA 1 1.950 0.045 -1.845
3 HB1 ALA 1 1HB ALA 1 0.006 1.142 -0.754
4 HB2 ALA 1 2HB ALA 1 0.963 1.278 0.722
5 HB3 ALA 1 3HB ALA 1 1.473 2.122 -0.741
6 H ALA 2 H ALA 2 3.996 0.886 -1.736
7 HA ALA 2 HA ALA 2 5.743 -0.255 0.254
8 HB1 ALA 2 1HB ALA 2 6.660 -0.278 -1.891
9 HB2 ALA 2 2HB ALA 2 6.182 1.390 -2.215
10 HB3 ALA 2 3HB ALA 2 7.496 1.052 -1.088
11 H GLY 3 H GLY 3 5.571 3.095 -0.965
12 HA2 GLY 3 2HA GLY 3 4.894 4.790 0.783
13 HA3 GLY 3 3HA GLY 3 6.087 3.996 1.800
14 H GLN 4 H GLN 4 5.752 6.775 0.516
15 HA GLN 4 HA GLN 4 8.197 6.955 -1.051
16 HB2 GLN 4 2HB GLN 4 5.932 8.233 -1.432
17 HB3 GLN 4 3HB GLN 4 6.587 9.340 -0.232
18 HG2 GLN 4 2HG GLN 4 8.703 9.184 -1.843
19 HG3 GLN 4 3HG GLN 4 7.434 8.836 -3.017
20 HE21 GLN 4 1HE2 GLN 4 9.089 11.110 -3.065
21 HE22 GLN 4 2HE2 GLN 4 8.095 12.502 -2.824
22 H CYS 5 H CYS 5 10.075 7.870 -0.385
23 HA CYS 5 HA CYS 5 10.600 8.018 2.395
24 HB2 CYS 5 2HB CYS 5 12.300 9.095 0.137
25 HB3 CYS 5 3HB CYS 5 12.842 8.681 1.761
26 H TYR 6 H TYR 6 11.334 9.857 3.605
27 HA TYR 6 HA TYR 6 10.010 12.342 2.753
28 HB2 TYR 6 2HB TYR 6 9.256 11.221 4.889
29 HB3 TYR 6 3HB TYR 6 10.839 11.595 5.561
30 HD1 TYR 6 HD2 TYR 6 11.533 14.039 5.699
31 HD2 TYR 6 HD1 TYR 6 7.535 12.818 4.905
32 HE1 TYR 6 HE2 TYR 6 10.727 16.264 6.367
33 HE2 TYR 6 HE1 TYR 6 6.718 15.040 5.571
34 HH TYR 6 HH TYR 6 8.446 17.670 5.702
35 H ARG 7 H ARG 7 11.270 13.949 2.120
36 HA ARG 7 HA ARG 7 13.148 15.174 1.684
37 HB2 ARG 7 2HB ARG 7 12.479 15.687 4.141
38 HB3 ARG 7 3HB ARG 7 13.910 14.754 4.558
39 HG2 ARG 7 2HG ARG 7 15.348 16.290 3.508
40 HG3 ARG 7 3HG ARG 7 14.013 17.080 2.666
41 HD2 ARG 7 2HD ARG 7 13.406 18.297 4.484
42 HD3 ARG 7 3HD ARG 7 13.884 17.036 5.620
43 HE ARG 7 HE ARG 7 15.488 19.219 4.689
44 HH11 ARG 7 1HH1 ARG 7 15.564 15.960 5.911
45 HH12 ARG 7 2HH1 ARG 7 17.173 16.095 6.541
46 HH21 ARG 7 1HH2 ARG 7 17.606 19.409 5.514
47 HH22 ARG 7 2HH2 ARG 7 18.333 18.057 6.315
48 H GLY 8 H GLY 8 13.428 12.358 1.211
49 HA2 GLY 8 2HA GLY 8 15.149 11.003 0.479
50 HA3 GLY 8 3HA GLY 8 16.285 12.233 1.013
51 H ARG 9 H ARG 9 13.869 10.728 3.073
52 HA ARG 9 HA ARG 9 15.792 8.921 4.258
53 HB2 ARG 9 2HB ARG 9 16.312 11.041 5.385
54 HB3 ARG 9 3HB ARG 9 14.628 11.199 5.869
55 HG2 ARG 9 2HG ARG 9 15.711 8.657 6.695
56 HG3 ARG 9 3HG ARG 9 16.682 10.000 7.302
57 HD2 ARG 9 2HD ARG 9 13.716 10.161 7.520
58 HD3 ARG 9 3HD ARG 9 14.590 9.109 8.633
59 HE ARG 9 HE ARG 9 15.839 11.614 8.609
60 HH11 ARG 9 1HH1 ARG 9 12.850 10.142 9.617
61 HH12 ARG 9 2HH1 ARG 9 12.578 11.268 10.905
62 HH21 ARG 9 1HH2 ARG 9 15.493 13.102 10.303
63 HH22 ARG 9 2HH2 ARG 9 14.082 12.952 11.294
64 H CYS 10 H CYS 10 14.827 7.193 5.189
65 HA CYS 10 HA CYS 10 11.892 7.176 5.201
66 HB2 CYS 10 2HB CYS 10 13.914 4.933 5.091
67 HB3 CYS 10 3HB CYS 10 12.182 4.673 5.266
68 H SER 11 H SER 11 11.064 5.422 6.873
69 HA SER 11 HA SER 11 11.485 6.525 9.435
70 HB2 SER 11 2HB SER 11 10.298 3.795 8.988
71 HB3 SER 11 3HB SER 11 9.874 4.996 10.209
72 HG SER 11 HG SER 11 8.492 5.798 8.859
73 H GLY 12 H GLY 12 12.476 5.664 11.280
74 HA2 GLY 12 2HA GLY 12 14.989 4.557 10.986
75 HA3 GLY 12 3HA GLY 12 14.060 4.507 12.476
76 H GLY 13 H GLY 13 15.287 2.713 9.840
77 HA2 GLY 13 2HA GLY 13 15.473 0.273 10.598
78 HA3 GLY 13 3HA GLY 13 13.717 0.350 10.639
79 H LEU 14 H LEU 14 13.437 1.984 8.288
80 HA LEU 14 HA LEU 14 13.868 -0.103 6.292
81 HB2 LEU 14 2HB LEU 14 12.140 2.350 6.392
82 HB3 LEU 14 3HB LEU 14 12.393 1.452 4.898
83 HG LEU 14 HG LEU 14 11.177 0.318 7.416
84 HD11 LEU 14 1HD1 LEU 14 10.042 1.783 5.143
85 HD12 LEU 14 2HD1 LEU 14 9.397 1.515 6.762
86 HD13 LEU 14 3HD1 LEU 14 9.231 0.265 5.529
87 HD21 LEU 14 3HD2 LEU 14 10.502 -1.511 5.832
88 HD22 LEU 14 1HD2 LEU 14 12.228 -1.425 6.189
89 HD23 LEU 14 2HD2 LEU 14 11.612 -0.806 4.656
90 H CYS 15 H CYS 15 14.239 0.843 3.982
91 HA CYS 15 HA CYS 15 16.325 2.915 4.103
92 HB2 CYS 15 2HB CYS 15 16.438 0.257 2.676
93 HB3 CYS 15 3HB CYS 15 17.530 1.588 2.311
94 H CYS 16 H CYS 16 16.543 4.221 2.270
95 HA CYS 16 HA CYS 16 14.125 4.456 0.696
96 HB2 CYS 16 2HB CYS 16 15.484 6.388 1.743
97 HB3 CYS 16 3HB CYS 16 16.579 6.169 0.381
98 H SER 17 H SER 17 13.851 3.723 -1.305
99 HA SER 17 HA SER 17 16.012 2.332 -2.622
100 HB2 SER 17 2HB SER 17 14.380 1.427 -4.049
101 HB3 SER 17 3HB SER 17 13.529 1.614 -2.516
102 HG SER 17 HG SER 17 12.211 2.918 -3.482
103 H LYS 18 H LYS 18 16.235 2.647 -5.060
104 HA LYS 18 HA LYS 18 17.116 5.306 -5.534
105 HB2 LYS 18 2HB LYS 18 17.899 2.988 -6.537
106 HB3 LYS 18 3HB LYS 18 16.715 3.375 -7.779
107 HG2 LYS 18 2HG LYS 18 17.971 5.027 -8.655
108 HG3 LYS 18 3HG LYS 18 18.604 5.528 -7.085
109 HD2 LYS 18 2HD LYS 18 19.788 3.135 -7.287
110 HD3 LYS 18 3HD LYS 18 19.632 3.519 -9.002
111 HE2 LYS 18 2HE LYS 18 20.611 5.730 -7.343
112 HE3 LYS 18 3HE LYS 18 21.679 4.328 -7.392
113 HZ1 LYS 18 3HZ LYS 18 20.582 5.613 -9.828
114 HZ2 LYS 18 1HZ LYS 18 21.823 4.467 -9.734
115 HZ3 LYS 18 2HZ LYS 18 22.075 6.035 -9.152
116 H TYR 19 H TYR 19 14.079 3.913 -5.709
117 HA TYR 19 HA TYR 19 13.149 5.730 -7.813
118 HB2 TYR 19 2HB TYR 19 12.109 3.205 -6.621
119 HB3 TYR 19 3HB TYR 19 10.935 4.362 -7.239
120 HD1 TYR 19 HD2 TYR 19 13.698 2.112 -8.134
121 HD2 TYR 19 HD1 TYR 19 10.724 4.776 -9.604
122 HE1 TYR 19 HE2 TYR 19 14.072 1.263 -10.412
123 HE2 TYR 19 HE1 TYR 19 11.088 3.933 -11.886
124 HH TYR 19 HH TYR 19 13.583 2.496 -12.939
125 H GLY 20 H GLY 20 13.703 5.954 -4.650
126 HA2 GLY 20 2HA GLY 20 13.042 7.655 -3.205
127 HA3 GLY 20 3HA GLY 20 11.737 8.054 -4.313
128 H TYR 21 H TYR 21 11.796 4.759 -3.675
129 HA TYR 21 HA TYR 21 9.597 5.071 -1.748
130 HB2 TYR 21 2HB TYR 21 10.230 2.750 -3.582
131 HB3 TYR 21 3HB TYR 21 8.851 2.848 -2.492
132 HD1 TYR 21 HD2 TYR 21 7.842 5.534 -2.888
133 HD2 TYR 21 HD1 TYR 21 9.415 2.805 -5.748
134 HE1 TYR 21 HE2 TYR 21 6.522 6.630 -4.651
135 HE2 TYR 21 HE1 TYR 21 8.100 3.893 -7.519
136 HH TYR 21 HH TYR 21 5.747 5.383 -7.412
137 H CYS 22 H CYS 22 9.652 4.093 0.206
138 HA CYS 22 HA CYS 22 12.183 3.145 1.164
139 HB2 CYS 22 2HB CYS 22 9.501 3.175 2.564
140 HB3 CYS 22 3HB CYS 22 11.074 2.971 3.329
141 H GLY 23 H GLY 23 12.512 1.093 2.249
142 HA2 GLY 23 2HA GLY 23 10.798 -1.082 2.218
143 HA3 GLY 23 3HA GLY 23 11.625 -1.099 0.667
144 H SER 24 H SER 24 12.536 -3.134 1.301
145 HA SER 24 HA SER 24 14.888 -2.790 3.034
146 HB2 SER 24 2HB SER 24 13.033 -4.069 4.180
147 HB3 SER 24 3HB SER 24 13.230 -5.318 2.950
148 HG SER 24 HG SER 24 14.995 -4.530 4.991
149 H GLY 25 H GLY 25 16.106 -5.179 2.742
150 HA2 GLY 25 2HA GLY 25 17.045 -6.686 1.202
151 HA3 GLY 25 3HA GLY 25 16.212 -5.844 -0.096
152 HA PRO 26 HA PRO 26 20.612 -4.515 0.079
153 HB2 PRO 26 2HB PRO 26 21.647 -5.837 -2.077
154 HB3 PRO 26 3HB PRO 26 21.808 -6.415 -0.431
155 HG2 PRO 26 2HG PRO 26 20.039 -7.410 -2.580
156 HG3 PRO 26 3HG PRO 26 20.525 -8.211 -1.099
157 HD2 PRO 26 2HD PRO 26 17.993 -6.972 -1.628
158 HD3 PRO 26 3HD PRO 26 18.521 -7.671 -0.111
159 H ALA 27 H ALA 27 18.263 -4.791 -2.282
160 HA ALA 27 HA ALA 27 19.405 -2.839 -4.063
161 HB1 ALA 27 1HB ALA 27 17.988 -4.607 -4.942
162 HB2 ALA 27 2HB ALA 27 16.632 -4.022 -3.977
163 HB3 ALA 27 3HB ALA 27 17.284 -3.025 -5.277
164 H TYR 28 H TYR 28 17.976 -2.604 -1.094
165 HA TYR 28 HA TYR 28 16.918 0.086 -1.675
166 HB2 TYR 28 2HB TYR 28 16.040 -1.984 0.327
167 HB3 TYR 28 3HB TYR 28 15.624 -0.284 0.517
168 HD1 TYR 28 HD1 TYR 28 15.592 -2.807 -2.250
169 HD2 TYR 28 HD2 TYR 28 13.509 0.276 -0.187
170 HE1 TYR 28 HE1 TYR 28 13.663 -3.119 -3.744
171 HE2 TYR 28 HE2 TYR 28 11.573 -0.029 -1.674
172 HH TYR 28 HH TYR 28 11.721 -2.101 -4.480
173 H CYS 29 H CYS 29 18.741 -1.897 0.609
174 HA CYS 29 HA CYS 29 19.600 0.489 2.059
175 HB2 CYS 29 2HB CYS 29 19.953 -2.463 2.585
176 HB3 CYS 29 3HB CYS 29 20.734 -1.218 3.554
177 H GLY 30 H GLY 30 20.724 -1.784 -0.287
178 HA2 GLY 30 2HA GLY 30 22.603 -1.610 -1.639
179 HA3 GLY 30 3HA GLY 30 23.138 -0.246 -0.668
Start of MODEL 12
1 H1 ALA 1 H ALA 1 3.039 0.136 -2.980
2 HA ALA 1 HA ALA 1 1.600 1.873 -1.289
3 HB1 ALA 1 1HB ALA 1 1.312 -1.058 -0.635
4 HB2 ALA 1 2HB ALA 1 0.835 0.280 0.411
5 HB3 ALA 1 3HB ALA 1 0.019 0.034 -1.132
6 H ALA 2 H ALA 2 4.289 1.441 -2.172
7 HA ALA 2 HA ALA 2 5.831 0.281 -0.063
8 HB1 ALA 2 1HB ALA 2 6.631 0.412 -2.391
9 HB2 ALA 2 2HB ALA 2 6.728 2.167 -2.238
10 HB3 ALA 2 3HB ALA 2 7.759 1.138 -1.245
11 H GLY 3 H GLY 3 5.821 3.660 -1.218
12 HA2 GLY 3 2HA GLY 3 5.124 5.336 0.540
13 HA3 GLY 3 3HA GLY 3 6.256 4.489 1.584
14 H GLN 4 H GLN 4 6.043 7.302 0.349
15 HA GLN 4 HA GLN 4 8.551 7.449 -1.118
16 HB2 GLN 4 2HB GLN 4 6.375 9.421 -0.482
17 HB3 GLN 4 3HB GLN 4 7.931 9.963 -1.097
18 HG2 GLN 4 2HG GLN 4 7.094 9.666 -3.126
19 HG3 GLN 4 3HG GLN 4 7.229 7.934 -2.825
20 HE21 GLN 4 1HE2 GLN 4 5.415 6.739 -2.503
21 HE22 GLN 4 2HE2 GLN 4 3.812 7.368 -2.650
22 H CYS 5 H CYS 5 10.426 8.289 -0.358
23 HA CYS 5 HA CYS 5 10.842 8.371 2.443
24 HB2 CYS 5 2HB CYS 5 12.662 9.431 0.274
25 HB3 CYS 5 3HB CYS 5 13.126 8.980 1.911
26 H TYR 6 H TYR 6 11.588 10.167 3.714
27 HA TYR 6 HA TYR 6 10.368 12.704 2.861
28 HB2 TYR 6 2HB TYR 6 10.876 11.535 5.594
29 HB3 TYR 6 3HB TYR 6 10.446 13.225 5.355
30 HD1 TYR 6 HD1 TYR 6 8.414 13.097 3.268
31 HD2 TYR 6 HD2 TYR 6 9.045 10.524 6.598
32 HE1 TYR 6 HE1 TYR 6 6.031 12.490 3.243
33 HE2 TYR 6 HE2 TYR 6 6.663 9.909 6.581
34 HH TYR 6 HH TYR 6 4.784 9.867 4.961
35 H ARG 7 H ARG 7 11.701 14.275 2.288
36 HA ARG 7 HA ARG 7 13.629 15.448 1.937
37 HB2 ARG 7 2HB ARG 7 12.876 15.929 4.390
38 HB3 ARG 7 3HB ARG 7 14.298 14.988 4.824
39 HG2 ARG 7 2HG ARG 7 15.299 16.738 2.974
40 HG3 ARG 7 3HG ARG 7 14.088 17.712 3.810
41 HD2 ARG 7 2HD ARG 7 15.180 16.717 5.958
42 HD3 ARG 7 3HD ARG 7 16.546 16.398 4.889
43 HE ARG 7 HE ARG 7 15.705 19.076 4.603
44 HH11 ARG 7 1HH1 ARG 7 17.341 16.963 6.834
45 HH12 ARG 7 2HH1 ARG 7 18.284 18.230 7.545
46 HH21 ARG 7 1HH2 ARG 7 16.940 20.753 5.532
47 HH22 ARG 7 2HH2 ARG 7 18.055 20.386 6.805
48 H GLY 8 H GLY 8 13.851 12.640 1.430
49 HA2 GLY 8 2HA GLY 8 15.560 11.242 0.754
50 HA3 GLY 8 3HA GLY 8 16.708 12.430 1.353
51 H ARG 9 H ARG 9 14.166 10.976 3.292
52 HA ARG 9 HA ARG 9 15.981 9.092 4.527
53 HB2 ARG 9 2HB ARG 9 16.186 11.503 5.588
54 HB3 ARG 9 3HB ARG 9 14.710 11.025 6.415
55 HG2 ARG 9 2HG ARG 9 16.655 8.921 6.575
56 HG3 ARG 9 3HG ARG 9 17.344 10.443 7.144
57 HD2 ARG 9 2HD ARG 9 14.648 9.493 8.058
58 HD3 ARG 9 3HD ARG 9 16.131 8.959 8.847
59 HE ARG 9 HE ARG 9 16.177 11.749 8.693
60 HH11 ARG 9 1HH1 ARG 9 14.390 9.216 10.277
61 HH12 ARG 9 2HH1 ARG 9 13.993 10.182 11.659
62 HH21 ARG 9 1HH2 ARG 9 15.661 13.031 10.508
63 HH22 ARG 9 2HH2 ARG 9 14.716 12.352 11.790
64 H CYS 10 H CYS 10 14.920 7.373 5.347
65 HA CYS 10 HA CYS 10 11.990 7.455 5.255
66 HB2 CYS 10 2HB CYS 10 13.944 5.151 5.203
67 HB3 CYS 10 3HB CYS 10 12.199 4.943 5.299
68 H SER 11 H SER 11 11.038 5.706 6.867
69 HA SER 11 HA SER 11 11.379 6.766 9.458
70 HB2 SER 11 2HB SER 11 10.042 4.181 8.622
71 HB3 SER 11 3HB SER 11 9.842 4.985 10.179
72 HG SER 11 HG SER 11 8.299 5.360 8.245
73 H GLY 12 H GLY 12 12.264 5.855 11.332
74 HA2 GLY 12 2HA GLY 12 14.753 4.675 11.133
75 HA3 GLY 12 3HA GLY 12 13.758 4.636 12.581
76 H GLY 13 H GLY 13 15.046 2.837 9.977
77 HA2 GLY 13 2HA GLY 13 15.124 0.384 10.712
78 HA3 GLY 13 3HA GLY 13 13.372 0.513 10.676
79 H LEU 14 H LEU 14 13.241 2.179 8.337
80 HA LEU 14 HA LEU 14 13.703 0.105 6.335
81 HB2 LEU 14 2HB LEU 14 12.039 2.603 6.391
82 HB3 LEU 14 3HB LEU 14 12.334 1.716 4.897
83 HG LEU 14 HG LEU 14 10.979 0.584 7.344
84 HD11 LEU 14 1HD1 LEU 14 8.919 0.808 6.175
85 HD12 LEU 14 2HD1 LEU 14 9.736 1.367 4.716
86 HD13 LEU 14 3HD1 LEU 14 9.709 2.385 6.156
87 HD21 LEU 14 3HD2 LEU 14 12.089 -1.137 6.081
88 HD22 LEU 14 1HD2 LEU 14 11.418 -0.517 4.572
89 HD23 LEU 14 2HD2 LEU 14 10.353 -1.236 5.781
90 H CYS 15 H CYS 15 14.200 1.069 4.055
91 HA CYS 15 HA CYS 15 16.338 3.077 4.296
92 HB2 CYS 15 2HB CYS 15 16.431 0.438 2.833
93 HB3 CYS 15 3HB CYS 15 17.576 1.741 2.532
94 H CYS 16 H CYS 16 16.673 4.403 2.495
95 HA CYS 16 HA CYS 16 14.330 4.733 0.825
96 HB2 CYS 16 2HB CYS 16 15.696 6.609 1.962
97 HB3 CYS 16 3HB CYS 16 16.841 6.382 0.645
98 H SER 17 H SER 17 14.125 4.047 -1.202
99 HA SER 17 HA SER 17 16.299 2.612 -2.447
100 HB2 SER 17 2HB SER 17 14.707 1.785 -3.963
101 HB3 SER 17 3HB SER 17 13.793 1.972 -2.467
102 HG SER 17 HG SER 17 12.558 3.327 -3.471
103 H LYS 18 H LYS 18 16.646 2.963 -4.864
104 HA LYS 18 HA LYS 18 17.625 5.603 -5.247
105 HB2 LYS 18 2HB LYS 18 18.274 4.816 -7.482
106 HB3 LYS 18 3HB LYS 18 18.747 3.673 -6.232
107 HG2 LYS 18 2HG LYS 18 16.938 2.211 -6.792
108 HG3 LYS 18 3HG LYS 18 16.266 3.397 -7.913
109 HD2 LYS 18 2HD LYS 18 18.637 3.207 -9.031
110 HD3 LYS 18 3HD LYS 18 18.665 1.647 -8.204
111 HE2 LYS 18 2HE LYS 18 17.141 0.752 -9.591
112 HE3 LYS 18 3HE LYS 18 16.166 2.220 -9.624
113 HZ1 LYS 18 3HZ LYS 18 17.180 1.607 -11.790
114 HZ2 LYS 18 1HZ LYS 18 18.707 1.900 -11.122
115 HZ3 LYS 18 2HZ LYS 18 17.588 3.161 -11.261
116 H TYR 19 H TYR 19 14.561 4.305 -5.588
117 HA TYR 19 HA TYR 19 13.784 6.176 -7.706
118 HB2 TYR 19 2HB TYR 19 12.573 3.696 -6.563
119 HB3 TYR 19 3HB TYR 19 11.511 4.890 -7.301
120 HD1 TYR 19 HD2 TYR 19 12.635 5.812 -9.651
121 HD2 TYR 19 HD1 TYR 19 13.119 1.944 -7.946
122 HE1 TYR 19 HE2 TYR 19 13.152 4.901 -11.877
123 HE2 TYR 19 HE1 TYR 19 13.639 1.023 -10.166
124 HH TYR 19 HH TYR 19 13.519 3.053 -13.070
125 H GLY 20 H GLY 20 14.176 6.309 -4.499
126 HA2 GLY 20 2HA GLY 20 13.513 8.031 -3.073
127 HA3 GLY 20 3HA GLY 20 12.268 8.477 -4.230
128 H TYR 21 H TYR 21 12.193 5.179 -3.649
129 HA TYR 21 HA TYR 21 9.932 5.530 -1.802
130 HB2 TYR 21 2HB TYR 21 10.573 3.251 -3.686
131 HB3 TYR 21 3HB TYR 21 9.185 3.307 -2.605
132 HD1 TYR 21 HD1 TYR 21 10.771 5.105 -5.450
133 HD2 TYR 21 HD2 TYR 21 7.187 4.300 -3.302
134 HE1 TYR 21 HE1 TYR 21 9.475 6.273 -7.185
135 HE2 TYR 21 HE2 TYR 21 5.882 5.464 -5.032
136 HH TYR 21 HH TYR 21 7.380 6.622 -7.996
137 H CYS 22 H CYS 22 9.873 4.514 0.134
138 HA CYS 22 HA CYS 22 12.334 3.479 1.180
139 HB2 CYS 22 2HB CYS 22 9.597 3.558 2.466
140 HB3 CYS 22 3HB CYS 22 11.129 3.298 3.293
141 H GLY 23 H GLY 23 12.555 1.399 2.246
142 HA2 GLY 23 2HA GLY 23 10.787 -0.726 2.097
143 HA3 GLY 23 3HA GLY 23 11.682 -0.739 0.585
144 H SER 24 H SER 24 12.505 -2.812 1.226
145 HA SER 24 HA SER 24 14.785 -2.563 3.066
146 HB2 SER 24 2HB SER 24 12.846 -3.805 4.109
147 HB3 SER 24 3HB SER 24 13.061 -5.039 2.868
148 HG SER 24 HG SER 24 14.272 -4.969 5.134
149 H GLY 25 H GLY 25 15.947 -4.982 2.789
150 HA2 GLY 25 2HA GLY 25 16.914 -6.490 1.268
151 HA3 GLY 25 3HA GLY 25 16.160 -5.608 -0.052
152 HA PRO 26 HA PRO 26 20.582 -4.403 0.333
153 HB2 PRO 26 2HB PRO 26 21.674 -5.721 -1.798
154 HB3 PRO 26 3HB PRO 26 21.748 -6.327 -0.155
155 HG2 PRO 26 2HG PRO 26 20.047 -7.242 -2.393
156 HG3 PRO 26 3HG PRO 26 20.447 -8.078 -0.906
157 HD2 PRO 26 2HD PRO 26 17.974 -6.762 -1.523
158 HD3 PRO 26 3HD PRO 26 18.417 -7.497 0.005
159 H ALA 27 H ALA 27 18.330 -4.579 -2.130
160 HA ALA 27 HA ALA 27 19.600 -2.635 -3.831
161 HB1 ALA 27 1HB ALA 27 17.228 -2.673 -4.898
162 HB2 ALA 27 2HB ALA 27 18.279 -4.081 -5.052
163 HB3 ALA 27 3HB ALA 27 16.982 -4.075 -3.857
164 H TYR 28 H TYR 28 18.053 -2.401 -0.921
165 HA TYR 28 HA TYR 28 17.101 0.327 -1.504
166 HB2 TYR 28 2HB TYR 28 16.073 -1.744 0.425
167 HB3 TYR 28 3HB TYR 28 15.699 -0.036 0.622
168 HD1 TYR 28 HD1 TYR 28 15.716 -2.522 -2.179
169 HD2 TYR 28 HD2 TYR 28 13.637 0.599 -0.170
170 HE1 TYR 28 HE1 TYR 28 13.848 -2.757 -3.761
171 HE2 TYR 28 HE2 TYR 28 11.762 0.372 -1.746
172 HH TYR 28 HH TYR 28 11.989 -1.455 -4.621
173 H CYS 29 H CYS 29 18.764 -1.745 0.821
174 HA CYS 29 HA CYS 29 19.626 0.591 2.350
175 HB2 CYS 29 2HB CYS 29 19.872 -2.378 2.837
176 HB3 CYS 29 3HB CYS 29 20.646 -1.173 3.860
177 H GLY 30 H GLY 30 20.788 -1.678 0.017
178 HA2 GLY 30 2HA GLY 30 23.585 -1.201 0.545
179 HA3 GLY 30 3HA GLY 30 22.915 -2.108 -0.802
Start of MODEL 13
1 H1 ALA 1 H ALA 1 6.966 -2.637 1.871
2 HA ALA 1 HA ALA 1 8.619 -0.412 1.395
3 HB1 ALA 1 1HB ALA 1 8.910 -1.502 -0.802
4 HB2 ALA 1 2HB ALA 1 7.170 -1.377 -1.067
5 HB3 ALA 1 3HB ALA 1 8.146 0.084 -0.919
6 H ALA 2 H ALA 2 7.508 1.175 2.307
7 HA ALA 2 HA ALA 2 4.633 0.997 2.579
8 HB1 ALA 2 1HB ALA 2 5.482 1.778 4.547
9 HB2 ALA 2 2HB ALA 2 6.780 2.676 3.760
10 HB3 ALA 2 3HB ALA 2 5.136 3.313 3.751
11 H GLY 3 H GLY 3 6.592 3.862 1.799
12 HA2 GLY 3 2HA GLY 3 5.145 4.257 -0.690
13 HA3 GLY 3 3HA GLY 3 4.802 5.431 0.573
14 H GLN 4 H GLN 4 5.749 7.250 -0.130
15 HA GLN 4 HA GLN 4 8.405 7.150 -1.314
16 HB2 GLN 4 2HB GLN 4 6.605 9.530 -0.832
17 HB3 GLN 4 3HB GLN 4 8.068 9.512 -1.808
18 HG2 GLN 4 2HG GLN 4 6.982 7.872 -3.314
19 HG3 GLN 4 3HG GLN 4 5.501 8.049 -2.374
20 HE21 GLN 4 1HE2 GLN 4 4.111 9.177 -3.526
21 HE22 GLN 4 2HE2 GLN 4 4.451 10.632 -4.392
22 H CYS 5 H CYS 5 10.231 8.079 -0.448
23 HA CYS 5 HA CYS 5 10.422 8.142 2.378
24 HB2 CYS 5 2HB CYS 5 12.391 9.180 0.328
25 HB3 CYS 5 3HB CYS 5 12.743 8.820 2.016
26 H TYR 6 H TYR 6 11.114 9.946 3.697
27 HA TYR 6 HA TYR 6 9.814 12.435 2.855
28 HB2 TYR 6 2HB TYR 6 9.359 11.113 5.095
29 HB3 TYR 6 3HB TYR 6 10.785 11.985 5.647
30 HD1 TYR 6 HD1 TYR 6 7.839 12.935 3.544
31 HD2 TYR 6 HD2 TYR 6 10.184 13.750 7.000
32 HE1 TYR 6 HE1 TYR 6 6.443 14.904 4.020
33 HE2 TYR 6 HE2 TYR 6 8.794 15.720 7.486
34 HH TYR 6 HH TYR 6 6.095 16.305 6.709
35 H ARG 7 H ARG 7 11.038 14.046 2.160
36 HA ARG 7 HA ARG 7 12.883 15.300 1.670
37 HB2 ARG 7 2HB ARG 7 12.252 15.799 4.157
38 HB3 ARG 7 3HB ARG 7 13.747 14.946 4.518
39 HG2 ARG 7 2HG ARG 7 14.881 16.556 2.920
40 HG3 ARG 7 3HG ARG 7 13.386 17.492 2.972
41 HD2 ARG 7 2HD ARG 7 13.618 17.937 5.267
42 HD3 ARG 7 3HD ARG 7 14.831 16.674 5.473
43 HE ARG 7 HE ARG 7 15.938 18.457 3.706
44 HH11 ARG 7 1HH1 ARG 7 14.673 18.604 6.946
45 HH12 ARG 7 2HH1 ARG 7 15.723 19.892 7.437
46 HH21 ARG 7 1HH2 ARG 7 17.325 20.153 4.340
47 HH22 ARG 7 2HH2 ARG 7 17.230 20.773 5.954
48 H GLY 8 H GLY 8 13.204 12.477 1.239
49 HA2 GLY 8 2HA GLY 8 14.942 11.157 0.478
50 HA3 GLY 8 3HA GLY 8 16.064 12.406 0.996
51 H ARG 9 H ARG 9 13.697 10.880 3.094
52 HA ARG 9 HA ARG 9 15.656 9.098 4.258
53 HB2 ARG 9 2HB ARG 9 15.907 11.477 5.277
54 HB3 ARG 9 3HB ARG 9 14.408 11.099 6.114
55 HG2 ARG 9 2HG ARG 9 16.341 8.958 6.352
56 HG3 ARG 9 3HG ARG 9 16.970 10.494 6.953
57 HD2 ARG 9 2HD ARG 9 14.210 9.813 7.748
58 HD3 ARG 9 3HD ARG 9 15.485 8.805 8.431
59 HE ARG 9 HE ARG 9 14.940 11.569 9.035
60 HH11 ARG 9 1HH1 ARG 9 17.310 9.020 9.085
61 HH12 ARG 9 2HH1 ARG 9 18.252 9.742 10.347
62 HH21 ARG 9 1HH2 ARG 9 16.171 12.530 10.698
63 HH22 ARG 9 2HH2 ARG 9 17.602 11.738 11.264
64 H CYS 10 H CYS 10 14.716 7.350 5.159
65 HA CYS 10 HA CYS 10 11.781 7.335 5.280
66 HB2 CYS 10 2HB CYS 10 13.750 5.047 5.074
67 HB3 CYS 10 3HB CYS 10 12.001 4.863 5.168
68 H SER 11 H SER 11 11.218 5.274 6.884
69 HA SER 11 HA SER 11 12.631 5.652 9.413
70 HB2 SER 11 2HB SER 11 9.639 6.030 9.135
71 HB3 SER 11 3HB SER 11 10.551 6.069 10.644
72 HG SER 11 HG SER 11 10.297 7.986 8.678
73 H GLY 12 H GLY 12 11.094 4.246 11.112
74 HA2 GLY 12 2HA GLY 12 10.571 2.109 11.767
75 HA3 GLY 12 3HA GLY 12 9.923 1.887 10.149
76 H GLY 13 H GLY 13 13.241 2.773 10.416
77 HA2 GLY 13 2HA GLY 13 15.197 1.572 10.178
78 HA3 GLY 13 3HA GLY 13 14.297 0.117 10.581
79 H LEU 14 H LEU 14 13.054 2.027 8.015
80 HA LEU 14 HA LEU 14 13.676 -0.094 6.130
81 HB2 LEU 14 2HB LEU 14 11.922 2.342 6.020
82 HB3 LEU 14 3HB LEU 14 12.245 1.355 4.595
83 HG LEU 14 HG LEU 14 10.994 0.285 7.120
84 HD11 LEU 14 1HD1 LEU 14 9.288 0.559 4.773
85 HD12 LEU 14 2HD1 LEU 14 9.819 2.103 5.438
86 HD13 LEU 14 3HD1 LEU 14 8.968 0.949 6.463
87 HD21 LEU 14 3HD2 LEU 14 10.283 -1.530 5.571
88 HD22 LEU 14 1HD2 LEU 14 12.027 -1.433 5.810
89 HD23 LEU 14 2HD2 LEU 14 11.305 -0.807 4.328
90 H CYS 15 H CYS 15 14.145 0.743 3.797
91 HA CYS 15 HA CYS 15 16.265 2.784 3.945
92 HB2 CYS 15 2HB CYS 15 16.269 0.189 2.394
93 HB3 CYS 15 3HB CYS 15 17.466 1.463 2.190
94 H CYS 16 H CYS 16 16.493 4.165 2.196
95 HA CYS 16 HA CYS 16 14.110 4.506 0.597
96 HB2 CYS 16 2HB CYS 16 15.637 6.331 1.719
97 HB3 CYS 16 3HB CYS 16 16.572 6.170 0.236
98 H SER 17 H SER 17 13.828 3.832 -1.424
99 HA SER 17 HA SER 17 15.956 2.416 -2.766
100 HB2 SER 17 2HB SER 17 14.308 1.601 -4.229
101 HB3 SER 17 3HB SER 17 13.453 1.769 -2.696
102 HG SER 17 HG SER 17 12.175 3.128 -3.639
103 H LYS 18 H LYS 18 16.208 2.792 -5.192
104 HA LYS 18 HA LYS 18 17.168 5.437 -5.586
105 HB2 LYS 18 2HB LYS 18 16.810 3.139 -7.516
106 HB3 LYS 18 3HB LYS 18 17.623 4.646 -7.917
107 HG2 LYS 18 2HG LYS 18 18.854 3.780 -5.579
108 HG3 LYS 18 3HG LYS 18 18.629 2.321 -6.546
109 HD2 LYS 18 2HD LYS 18 19.619 3.630 -8.484
110 HD3 LYS 18 3HD LYS 18 20.091 4.844 -7.292
111 HE2 LYS 18 2HE LYS 18 20.863 2.265 -6.345
112 HE3 LYS 18 3HE LYS 18 21.437 2.457 -8.001
113 HZ1 LYS 18 3HZ LYS 18 21.957 4.843 -6.679
114 HZ2 LYS 18 1HZ LYS 18 23.077 3.691 -7.211
115 HZ3 LYS 18 2HZ LYS 18 22.458 3.605 -5.639
116 H TYR 19 H TYR 19 14.094 4.137 -5.821
117 HA TYR 19 HA TYR 19 13.232 6.029 -7.886
118 HB2 TYR 19 2HB TYR 19 12.069 3.537 -6.720
119 HB3 TYR 19 3HB TYR 19 10.978 4.737 -7.404
120 HD1 TYR 19 HD1 TYR 19 11.028 5.243 -9.800
121 HD2 TYR 19 HD2 TYR 19 13.535 2.238 -8.128
122 HE1 TYR 19 HE1 TYR 19 11.455 4.353 -12.053
123 HE2 TYR 19 HE2 TYR 19 13.969 1.341 -10.377
124 HH TYR 19 HH TYR 19 13.922 2.153 -12.723
125 H GLY 20 H GLY 20 13.750 6.129 -4.695
126 HA2 GLY 20 2HA GLY 20 13.144 7.835 -3.225
127 HA3 GLY 20 3HA GLY 20 11.856 8.295 -4.329
128 H TYR 21 H TYR 21 11.818 4.987 -3.762
129 HA TYR 21 HA TYR 21 9.627 5.321 -1.829
130 HB2 TYR 21 2HB TYR 21 10.182 3.066 -3.767
131 HB3 TYR 21 3HB TYR 21 8.839 3.111 -2.630
132 HD1 TYR 21 HD2 TYR 21 10.311 4.930 -5.521
133 HD2 TYR 21 HD1 TYR 21 6.819 4.127 -3.227
134 HE1 TYR 21 HE2 TYR 21 8.950 6.124 -7.186
135 HE2 TYR 21 HE1 TYR 21 5.448 5.317 -4.886
136 HH TYR 21 HH TYR 21 5.443 6.503 -6.761
137 H CYS 22 H CYS 22 9.658 4.299 0.100
138 HA CYS 22 HA CYS 22 12.155 3.224 1.016
139 HB2 CYS 22 2HB CYS 22 9.504 3.278 2.469
140 HB3 CYS 22 3HB CYS 22 11.102 3.101 3.186
141 H GLY 23 H GLY 23 12.429 1.135 2.014
142 HA2 GLY 23 2HA GLY 23 10.609 -0.964 1.955
143 HA3 GLY 23 3HA GLY 23 11.434 -0.979 0.404
144 H SER 24 H SER 24 12.267 -3.061 0.978
145 HA SER 24 HA SER 24 14.619 -2.863 2.735
146 HB2 SER 24 2HB SER 24 12.709 -4.114 3.820
147 HB3 SER 24 3HB SER 24 12.872 -5.323 2.547
148 HG SER 24 HG SER 24 14.202 -6.121 4.015
149 H GLY 25 H GLY 25 15.756 -5.279 2.366
150 HA2 GLY 25 2HA GLY 25 16.658 -6.761 0.782
151 HA3 GLY 25 3HA GLY 25 15.860 -5.850 -0.492
152 HA PRO 26 HA PRO 26 20.299 -4.670 -0.249
153 HB2 PRO 26 2HB PRO 26 21.306 -5.953 -2.443
154 HB3 PRO 26 3HB PRO 26 21.438 -6.590 -0.816
155 HG2 PRO 26 2HG PRO 26 19.651 -7.456 -3.006
156 HG3 PRO 26 3HG PRO 26 20.102 -8.321 -1.550
157 HD2 PRO 26 2HD PRO 26 17.614 -6.984 -2.051
158 HD3 PRO 26 3HD PRO 26 18.110 -7.749 -0.554
159 H ALA 27 H ALA 27 17.957 -4.792 -2.630
160 HA ALA 27 HA ALA 27 19.172 -2.822 -4.341
161 HB1 ALA 27 1HB ALA 27 16.954 -2.859 -5.493
162 HB2 ALA 27 2HB ALA 27 17.743 -4.432 -5.372
163 HB3 ALA 27 3HB ALA 27 16.412 -4.028 -4.288
164 H TYR 28 H TYR 28 17.734 -2.636 -1.372
165 HA TYR 28 HA TYR 28 16.776 0.107 -1.868
166 HB2 TYR 28 2HB TYR 28 15.810 -1.995 0.060
167 HB3 TYR 28 3HB TYR 28 15.450 -0.288 0.300
168 HD1 TYR 28 HD2 TYR 28 15.354 -2.724 -2.543
169 HD2 TYR 28 HD1 TYR 28 13.362 0.366 -0.402
170 HE1 TYR 28 HE2 TYR 28 13.428 -2.923 -4.060
171 HE2 TYR 28 HE1 TYR 28 11.430 0.176 -1.912
172 HH TYR 28 HH TYR 28 11.494 -1.972 -4.715
173 H CYS 29 H CYS 29 18.512 -2.016 0.355
174 HA CYS 29 HA CYS 29 19.440 0.286 1.897
175 HB2 CYS 29 2HB CYS 29 19.740 -2.692 2.316
176 HB3 CYS 29 3HB CYS 29 20.486 -1.483 3.355
177 H GLY 30 H GLY 30 20.506 -1.936 -0.525
178 HA2 GLY 30 2HA GLY 30 23.324 -1.439 -0.093
179 HA3 GLY 30 3HA GLY 30 22.615 -2.374 -1.402
Start of MODEL 14
1 H1 ALA 1 H ALA 1 7.604 -2.638 2.823
2 HA ALA 1 HA ALA 1 8.446 0.013 2.271
3 HB1 ALA 1 1HB ALA 1 6.976 -2.102 0.796
4 HB2 ALA 1 2HB ALA 1 6.855 -0.445 0.202
5 HB3 ALA 1 3HB ALA 1 8.434 -1.214 0.353
6 H ALA 2 H ALA 2 6.945 1.691 1.359
7 HA ALA 2 HA ALA 2 4.236 1.698 2.365
8 HB1 ALA 2 1HB ALA 2 5.003 2.476 4.375
9 HB2 ALA 2 2HB ALA 2 6.403 3.275 3.659
10 HB3 ALA 2 3HB ALA 2 4.802 4.000 3.509
11 H GLY 3 H GLY 3 6.485 4.365 1.667
12 HA2 GLY 3 2HA GLY 3 5.284 4.773 -0.950
13 HA3 GLY 3 3HA GLY 3 4.955 6.025 0.238
14 H GLN 4 H GLN 4 6.116 7.720 -0.457
15 HA GLN 4 HA GLN 4 8.836 7.333 -1.414
16 HB2 GLN 4 2HB GLN 4 7.121 9.815 -1.223
17 HB3 GLN 4 3HB GLN 4 8.739 9.767 -1.911
18 HG2 GLN 4 2HG GLN 4 7.644 7.862 -3.391
19 HG3 GLN 4 3HG GLN 4 6.178 8.761 -3.003
20 HE21 GLN 4 1HE2 GLN 4 5.841 9.500 -5.065
21 HE22 GLN 4 2HE2 GLN 4 6.863 10.666 -5.828
22 H CYS 5 H CYS 5 10.663 8.254 -0.479
23 HA CYS 5 HA CYS 5 10.682 8.346 2.354
24 HB2 CYS 5 2HB CYS 5 12.809 9.263 0.407
25 HB3 CYS 5 3HB CYS 5 13.048 8.944 2.121
26 H TYR 6 H TYR 6 11.379 10.143 3.688
27 HA TYR 6 HA TYR 6 10.214 12.663 2.753
28 HB2 TYR 6 2HB TYR 6 10.980 11.890 5.573
29 HB3 TYR 6 3HB TYR 6 10.010 13.274 5.080
30 HD1 TYR 6 HD2 TYR 6 7.854 12.615 3.654
31 HD2 TYR 6 HD1 TYR 6 9.872 10.030 6.366
32 HE1 TYR 6 HE2 TYR 6 5.809 11.268 3.884
33 HE2 TYR 6 HE1 TYR 6 7.832 8.676 6.602
34 HH TYR 6 HH TYR 6 5.604 8.616 6.193
35 H ARG 7 H ARG 7 11.516 14.227 2.096
36 HA ARG 7 HA ARG 7 13.421 15.411 1.666
37 HB2 ARG 7 2HB ARG 7 12.718 15.997 4.094
38 HB3 ARG 7 3HB ARG 7 14.119 15.044 4.564
39 HG2 ARG 7 2HG ARG 7 15.467 16.540 3.018
40 HG3 ARG 7 3HG ARG 7 14.046 17.584 2.971
41 HD2 ARG 7 2HD ARG 7 14.554 16.929 5.682
42 HD3 ARG 7 3HD ARG 7 16.082 17.425 4.954
43 HE ARG 7 HE ARG 7 14.221 19.299 4.164
44 HH11 ARG 7 1HH1 ARG 7 15.511 18.113 7.173
45 HH12 ARG 7 2HH1 ARG 7 15.295 19.616 8.008
46 HH21 ARG 7 1HH2 ARG 7 13.932 21.282 5.253
47 HH22 ARG 7 2HH2 ARG 7 14.395 21.417 6.915
48 H GLY 8 H GLY 8 13.657 12.569 1.283
49 HA2 GLY 8 2HA GLY 8 15.375 11.181 0.600
50 HA3 GLY 8 3HA GLY 8 16.520 12.398 1.144
51 H ARG 9 H ARG 9 14.026 10.974 3.167
52 HA ARG 9 HA ARG 9 15.883 9.148 4.427
53 HB2 ARG 9 2HB ARG 9 16.266 11.448 5.456
54 HB3 ARG 9 3HB ARG 9 14.647 11.308 6.127
55 HG2 ARG 9 2HG ARG 9 15.309 9.914 7.740
56 HG3 ARG 9 3HG ARG 9 16.338 8.986 6.647
57 HD2 ARG 9 2HD ARG 9 18.162 10.049 7.351
58 HD3 ARG 9 3HD ARG 9 17.416 11.623 7.083
59 HE ARG 9 HE ARG 9 17.633 10.203 9.581
60 HH11 ARG 9 1HH1 ARG 9 15.931 12.665 7.802
61 HH12 ARG 9 2HH1 ARG 9 15.382 13.495 9.221
62 HH21 ARG 9 1HH2 ARG 9 16.917 11.286 11.456
63 HH22 ARG 9 2HH2 ARG 9 15.945 12.710 11.299
64 H CYS 10 H CYS 10 14.858 7.447 5.331
65 HA CYS 10 HA CYS 10 11.919 7.527 5.346
66 HB2 CYS 10 2HB CYS 10 13.811 5.171 5.196
67 HB3 CYS 10 3HB CYS 10 12.055 5.050 5.235
68 H SER 11 H SER 11 11.245 5.480 6.930
69 HA SER 11 HA SER 11 12.594 5.816 9.500
70 HB2 SER 11 2HB SER 11 9.599 6.122 9.322
71 HB3 SER 11 3HB SER 11 10.654 6.482 10.688
72 HG SER 11 HG SER 11 10.697 8.428 9.919
73 H GLY 12 H GLY 12 10.964 4.457 11.151
74 HA2 GLY 12 2HA GLY 12 10.368 2.335 11.790
75 HA3 GLY 12 3HA GLY 12 9.749 2.135 10.157
76 H GLY 13 H GLY 13 13.082 2.923 10.465
77 HA2 GLY 13 2HA GLY 13 15.007 1.669 10.256
78 HA3 GLY 13 3HA GLY 13 14.067 0.245 10.679
79 H LEU 14 H LEU 14 12.949 2.182 8.058
80 HA LEU 14 HA LEU 14 13.473 -0.005 6.221
81 HB2 LEU 14 2HB LEU 14 11.861 2.521 6.052
82 HB3 LEU 14 3HB LEU 14 12.161 1.514 4.637
83 HG LEU 14 HG LEU 14 10.802 0.521 7.137
84 HD11 LEU 14 1HD1 LEU 14 9.735 2.416 5.545
85 HD12 LEU 14 2HD1 LEU 14 8.790 1.186 6.384
86 HD13 LEU 14 3HD1 LEU 14 9.227 0.959 4.691
87 HD21 LEU 14 3HD2 LEU 14 11.235 -0.598 4.381
88 HD22 LEU 14 1HD2 LEU 14 9.987 -1.209 5.467
89 HD23 LEU 14 2HD2 LEU 14 11.685 -1.301 5.936
90 H CYS 15 H CYS 15 14.019 0.773 3.878
91 HA CYS 15 HA CYS 15 16.267 2.672 4.035
92 HB2 CYS 15 2HB CYS 15 16.115 0.076 2.491
93 HB3 CYS 15 3HB CYS 15 17.402 1.263 2.310
94 H CYS 16 H CYS 16 16.599 4.028 2.285
95 HA CYS 16 HA CYS 16 14.264 4.511 0.655
96 HB2 CYS 16 2HB CYS 16 15.935 6.225 1.787
97 HB3 CYS 16 3HB CYS 16 16.813 6.020 0.275
98 H SER 17 H SER 17 13.962 3.835 -1.362
99 HA SER 17 HA SER 17 16.014 2.284 -2.672
100 HB2 SER 17 2HB SER 17 14.334 1.556 -4.145
101 HB3 SER 17 3HB SER 17 13.476 1.789 -2.622
102 HG SER 17 HG SER 17 12.292 3.214 -3.590
103 H LYS 18 H LYS 18 16.308 2.625 -5.099
104 HA LYS 18 HA LYS 18 17.431 5.204 -5.502
105 HB2 LYS 18 2HB LYS 18 18.050 2.863 -6.534
106 HB3 LYS 18 3HB LYS 18 16.897 3.333 -7.776
107 HG2 LYS 18 2HG LYS 18 18.226 5.007 -8.576
108 HG3 LYS 18 3HG LYS 18 19.019 5.272 -7.022
109 HD2 LYS 18 2HD LYS 18 19.881 2.793 -7.510
110 HD3 LYS 18 3HD LYS 18 19.643 3.330 -9.174
111 HE2 LYS 18 2HE LYS 18 21.081 5.138 -7.302
112 HE3 LYS 18 3HE LYS 18 21.929 3.710 -7.894
113 HZ1 LYS 18 3HZ LYS 18 21.553 4.426 -10.146
114 HZ2 LYS 18 1HZ LYS 18 22.295 5.679 -9.285
115 HZ3 LYS 18 2HZ LYS 18 20.640 5.751 -9.624
116 H TYR 19 H TYR 19 14.286 4.091 -5.757
117 HA TYR 19 HA TYR 19 13.559 6.020 -7.840
118 HB2 TYR 19 2HB TYR 19 12.231 3.610 -6.672
119 HB3 TYR 19 3HB TYR 19 11.228 4.868 -7.386
120 HD1 TYR 19 HD2 TYR 19 12.263 5.708 -9.772
121 HD2 TYR 19 HD1 TYR 19 12.728 1.843 -8.054
122 HE1 TYR 19 HE2 TYR 19 12.674 4.770 -12.008
123 HE2 TYR 19 HE1 TYR 19 13.142 0.895 -10.286
124 HH TYR 19 HH TYR 19 14.083 2.386 -12.772
125 H GLY 20 H GLY 20 14.052 6.107 -4.647
126 HA2 GLY 20 2HA GLY 20 13.532 7.852 -3.190
127 HA3 GLY 20 3HA GLY 20 12.284 8.381 -4.308
128 H TYR 21 H TYR 21 12.034 5.087 -3.740
129 HA TYR 21 HA TYR 21 9.850 5.557 -1.829
130 HB2 TYR 21 2HB TYR 21 10.299 3.262 -3.748
131 HB3 TYR 21 3HB TYR 21 8.950 3.387 -2.625
132 HD1 TYR 21 HD2 TYR 21 10.550 5.110 -5.508
133 HD2 TYR 21 HD1 TYR 21 6.994 4.506 -3.250
134 HE1 TYR 21 HE2 TYR 21 9.273 6.367 -7.193
135 HE2 TYR 21 HE1 TYR 21 5.708 5.761 -4.929
136 HH TYR 21 HH TYR 21 6.081 6.250 -7.544
137 H CYS 22 H CYS 22 9.794 4.543 0.105
138 HA CYS 22 HA CYS 22 12.216 3.340 1.063
139 HB2 CYS 22 2HB CYS 22 9.550 3.549 2.474
140 HB3 CYS 22 3HB CYS 22 11.124 3.283 3.218
141 H GLY 23 H GLY 23 12.363 1.243 2.071
142 HA2 GLY 23 2HA GLY 23 10.433 -0.754 1.999
143 HA3 GLY 23 3HA GLY 23 11.275 -0.822 0.458
144 H SER 24 H SER 24 11.980 -2.946 1.061
145 HA SER 24 HA SER 24 14.321 -2.865 2.840
146 HB2 SER 24 2HB SER 24 12.333 -4.000 3.913
147 HB3 SER 24 3HB SER 24 12.441 -5.226 2.649
148 HG SER 24 HG SER 24 13.720 -6.092 4.117
149 H GLY 25 H GLY 25 15.326 -5.343 2.500
150 HA2 GLY 25 2HA GLY 25 16.159 -6.885 0.936
151 HA3 GLY 25 3HA GLY 25 15.430 -5.939 -0.353
152 HA PRO 26 HA PRO 26 19.926 -5.013 -0.062
153 HB2 PRO 26 2HB PRO 26 20.884 -6.364 -2.236
154 HB3 PRO 26 3HB PRO 26 20.959 -6.998 -0.604
155 HG2 PRO 26 2HG PRO 26 19.152 -7.773 -2.812
156 HG3 PRO 26 3HG PRO 26 19.535 -8.654 -1.346
157 HD2 PRO 26 2HD PRO 26 17.134 -7.180 -1.885
158 HD3 PRO 26 3HD PRO 26 17.567 -7.963 -0.378
159 H ALA 27 H ALA 27 17.612 -5.017 -2.474
160 HA ALA 27 HA ALA 27 18.958 -3.127 -4.177
161 HB1 ALA 27 1HB ALA 27 16.687 -3.025 -5.300
162 HB2 ALA 27 2HB ALA 27 17.487 -4.597 -5.284
163 HB3 ALA 27 3HB ALA 27 16.176 -4.263 -4.153
164 H TYR 28 H TYR 28 17.496 -2.844 -1.229
165 HA TYR 28 HA TYR 28 16.696 -0.056 -1.752
166 HB2 TYR 28 2HB TYR 28 15.592 -2.089 0.175
167 HB3 TYR 28 3HB TYR 28 15.324 -0.364 0.401
168 HD1 TYR 28 HD2 TYR 28 15.128 -2.808 -2.430
169 HD2 TYR 28 HD1 TYR 28 13.285 0.401 -0.331
170 HE1 TYR 28 HE2 TYR 28 13.213 -2.908 -3.970
171 HE2 TYR 28 HE1 TYR 28 11.364 0.309 -1.864
172 HH TYR 28 HH TYR 28 10.286 -1.243 -3.373
173 H CYS 29 H CYS 29 18.286 -2.257 0.504
174 HA CYS 29 HA CYS 29 19.319 -0.002 2.047
175 HB2 CYS 29 2HB CYS 29 19.473 -2.990 2.484
176 HB3 CYS 29 3HB CYS 29 20.238 -1.804 3.536
177 H GLY 30 H GLY 30 20.293 -2.294 -0.350
178 HA2 GLY 30 2HA GLY 30 22.206 -2.211 -1.671
179 HA3 GLY 30 3HA GLY 30 22.848 -0.961 -0.616
Start of MODEL 15
1 H1 ALA 1 H ALA 1 7.446 -2.577 0.618
2 HA ALA 1 HA ALA 1 8.357 0.007 1.250
3 HB1 ALA 1 1HB ALA 1 7.865 0.551 -1.090
4 HB2 ALA 1 2HB ALA 1 8.710 -0.990 -0.939
5 HB3 ALA 1 3HB ALA 1 6.974 -0.963 -1.249
6 H ALA 2 H ALA 2 7.294 1.605 2.199
7 HA ALA 2 HA ALA 2 4.404 1.584 2.344
8 HB1 ALA 2 1HB ALA 2 6.560 3.226 3.612
9 HB2 ALA 2 2HB ALA 2 4.876 3.748 3.680
10 HB3 ALA 2 3HB ALA 2 5.347 2.195 4.372
11 H GLY 3 H GLY 3 6.554 4.355 1.750
12 HA2 GLY 3 2HA GLY 3 5.197 4.926 -0.764
13 HA3 GLY 3 3HA GLY 3 4.947 6.090 0.528
14 H GLN 4 H GLN 4 6.056 7.835 -0.130
15 HA GLN 4 HA GLN 4 8.709 7.527 -1.284
16 HB2 GLN 4 2HB GLN 4 7.050 10.007 -0.800
17 HB3 GLN 4 3HB GLN 4 8.583 9.961 -1.659
18 HG2 GLN 4 2HG GLN 4 7.672 8.810 -3.470
19 HG3 GLN 4 3HG GLN 4 6.249 8.315 -2.555
20 HE21 GLN 4 1HE2 GLN 4 4.563 9.223 -3.499
21 HE22 GLN 4 2HE2 GLN 4 4.423 10.888 -3.937
22 H CYS 5 H CYS 5 10.592 8.391 -0.408
23 HA CYS 5 HA CYS 5 10.793 8.300 2.417
24 HB2 CYS 5 2HB CYS 5 12.824 9.436 0.489
25 HB3 CYS 5 3HB CYS 5 13.127 8.804 2.105
26 H TYR 6 H TYR 6 11.440 9.980 3.859
27 HA TYR 6 HA TYR 6 10.437 12.621 3.039
28 HB2 TYR 6 2HB TYR 6 10.652 11.383 5.791
29 HB3 TYR 6 3HB TYR 6 10.107 13.027 5.473
30 HD1 TYR 6 HD1 TYR 6 8.266 12.893 3.335
31 HD2 TYR 6 HD2 TYR 6 8.898 10.032 6.419
32 HE1 TYR 6 HE1 TYR 6 5.965 12.078 3.041
33 HE2 TYR 6 HE2 TYR 6 6.599 9.207 6.134
34 HH TYR 6 HH TYR 6 4.325 10.813 3.984
35 H ARG 7 H ARG 7 11.895 14.157 2.737
36 HA ARG 7 HA ARG 7 13.905 15.243 2.689
37 HB2 ARG 7 2HB ARG 7 12.905 15.699 5.016
38 HB3 ARG 7 3HB ARG 7 14.105 14.560 5.613
39 HG2 ARG 7 2HG ARG 7 15.829 15.990 5.289
40 HG3 ARG 7 3HG ARG 7 15.086 16.739 3.874
41 HD2 ARG 7 2HD ARG 7 13.372 17.654 5.618
42 HD3 ARG 7 3HD ARG 7 14.660 17.316 6.773
43 HE ARG 7 HE ARG 7 15.836 19.098 5.938
44 HH11 ARG 7 1HH1 ARG 7 13.242 18.301 3.757
45 HH12 ARG 7 2HH1 ARG 7 13.461 19.712 2.775
46 HH21 ARG 7 1HH2 ARG 7 16.133 20.959 4.653
47 HH22 ARG 7 2HH2 ARG 7 15.106 21.222 3.285
48 H GLY 8 H GLY 8 14.055 12.454 2.041
49 HA2 GLY 8 2HA GLY 8 15.745 10.981 1.507
50 HA3 GLY 8 3HA GLY 8 16.883 12.104 2.237
51 H ARG 9 H ARG 9 14.112 10.650 3.854
52 HA ARG 9 HA ARG 9 15.787 8.735 5.246
53 HB2 ARG 9 2HB ARG 9 14.416 11.007 6.692
54 HB3 ARG 9 3HB ARG 9 15.083 9.587 7.486
55 HG2 ARG 9 2HG ARG 9 17.307 10.168 6.714
56 HG3 ARG 9 3HG ARG 9 16.657 11.559 5.844
57 HD2 ARG 9 2HD ARG 9 15.719 12.243 8.168
58 HD3 ARG 9 3HD ARG 9 16.930 11.123 8.792
59 HE ARG 9 HE ARG 9 18.196 12.830 6.988
60 HH11 ARG 9 1HH1 ARG 9 16.597 12.989 10.076
61 HH12 ARG 9 2HH1 ARG 9 17.523 14.343 10.633
62 HH21 ARG 9 1HH2 ARG 9 19.423 14.613 7.709
63 HH22 ARG 9 2HH2 ARG 9 19.130 15.266 9.285
64 H CYS 10 H CYS 10 14.674 6.950 5.776
65 HA CYS 10 HA CYS 10 11.762 7.016 5.396
66 HB2 CYS 10 2HB CYS 10 13.776 4.775 5.210
67 HB3 CYS 10 3HB CYS 10 12.038 4.495 5.216
68 H SER 11 H SER 11 10.837 4.913 6.694
69 HA SER 11 HA SER 11 10.789 5.729 9.394
70 HB2 SER 11 2HB SER 11 8.969 4.478 8.128
71 HB3 SER 11 3HB SER 11 9.925 3.018 8.379
72 HG SER 11 HG SER 11 8.229 4.168 10.057
73 H GLY 12 H GLY 12 11.413 4.495 11.279
74 HA2 GLY 12 2HA GLY 12 14.104 3.698 11.238
75 HA3 GLY 12 3HA GLY 12 12.982 3.420 12.562
76 H GLY 13 H GLY 13 14.531 2.060 9.776
77 HA2 GLY 13 2HA GLY 13 14.949 -0.415 10.220
78 HA3 GLY 13 3HA GLY 13 13.196 -0.519 10.294
79 H LEU 14 H LEU 14 13.059 1.572 8.111
80 HA LEU 14 HA LEU 14 13.306 -0.324 5.905
81 HB2 LEU 14 2HB LEU 14 11.861 2.285 6.249
82 HB3 LEU 14 3HB LEU 14 12.051 1.529 4.668
83 HG LEU 14 HG LEU 14 10.626 0.316 7.036
84 HD11 LEU 14 1HD1 LEU 14 9.631 2.337 5.703
85 HD12 LEU 14 2HD1 LEU 14 8.626 0.946 6.109
86 HD13 LEU 14 3HD1 LEU 14 9.300 1.103 4.487
87 HD21 LEU 14 3HD2 LEU 14 11.760 -0.893 4.750
88 HD22 LEU 14 1HD2 LEU 14 10.011 -0.887 4.524
89 HD23 LEU 14 2HD2 LEU 14 10.711 -1.624 5.965
90 H CYS 15 H CYS 15 13.845 0.810 3.718
91 HA CYS 15 HA CYS 15 16.105 2.654 4.078
92 HB2 CYS 15 2HB CYS 15 16.083 0.102 2.462
93 HB3 CYS 15 3HB CYS 15 17.303 1.356 2.269
94 H CYS 16 H CYS 16 16.504 4.065 2.363
95 HA CYS 16 HA CYS 16 14.196 4.614 0.714
96 HB2 CYS 16 2HB CYS 16 15.725 6.328 1.919
97 HB3 CYS 16 3HB CYS 16 16.809 6.091 0.552
98 H SER 17 H SER 17 13.917 3.980 -1.317
99 HA SER 17 HA SER 17 15.995 2.489 -2.656
100 HB2 SER 17 2HB SER 17 14.334 1.787 -4.161
101 HB3 SER 17 3HB SER 17 13.460 1.969 -2.640
102 HG SER 17 HG SER 17 12.272 3.413 -3.575
103 H LYS 18 H LYS 18 16.303 2.905 -5.070
104 HA LYS 18 HA LYS 18 17.403 5.504 -5.388
105 HB2 LYS 18 2HB LYS 18 17.115 3.088 -7.124
106 HB3 LYS 18 3HB LYS 18 17.554 4.619 -7.870
107 HG2 LYS 18 2HG LYS 18 19.524 4.783 -6.507
108 HG3 LYS 18 3HG LYS 18 19.053 3.351 -5.588
109 HD2 LYS 18 2HD LYS 18 19.319 3.110 -8.543
110 HD3 LYS 18 3HD LYS 18 20.792 3.211 -7.575
111 HE2 LYS 18 2HE LYS 18 18.920 1.375 -6.387
112 HE3 LYS 18 3HE LYS 18 19.223 0.945 -8.070
113 HZ1 LYS 18 3HZ LYS 18 21.151 1.133 -5.843
114 HZ2 LYS 18 1HZ LYS 18 21.669 1.222 -7.451
115 HZ3 LYS 18 2HZ LYS 18 20.871 -0.161 -6.895
116 H TYR 19 H TYR 19 14.270 4.370 -5.699
117 HA TYR 19 HA TYR 19 13.541 6.362 -7.723
118 HB2 TYR 19 2HB TYR 19 12.263 3.876 -6.683
119 HB3 TYR 19 3HB TYR 19 11.215 5.151 -7.295
120 HD1 TYR 19 HD1 TYR 19 11.281 5.788 -9.660
121 HD2 TYR 19 HD2 TYR 19 13.672 2.601 -8.167
122 HE1 TYR 19 HE1 TYR 19 11.668 5.009 -11.961
123 HE2 TYR 19 HE2 TYR 19 14.067 1.814 -10.464
124 HH TYR 19 HH TYR 19 13.628 2.117 -12.615
125 H GLY 20 H GLY 20 14.035 6.389 -4.548
126 HA2 GLY 20 2HA GLY 20 13.466 8.048 -3.021
127 HA3 GLY 20 3HA GLY 20 12.231 8.613 -4.137
128 H TYR 21 H TYR 21 12.017 5.291 -3.672
129 HA TYR 21 HA TYR 21 9.789 5.680 -1.792
130 HB2 TYR 21 2HB TYR 21 10.288 3.417 -3.737
131 HB3 TYR 21 3HB TYR 21 8.891 3.566 -2.677
132 HD1 TYR 21 HD2 TYR 21 7.625 5.917 -2.933
133 HD2 TYR 21 HD1 TYR 21 10.025 4.080 -5.927
134 HE1 TYR 21 HE2 TYR 21 6.445 7.208 -4.663
135 HE2 TYR 21 HE1 TYR 21 8.853 5.366 -7.665
136 HH TYR 21 HH TYR 21 6.776 6.531 -8.008
137 H CYS 22 H CYS 22 9.700 4.589 0.103
138 HA CYS 22 HA CYS 22 12.120 3.394 1.074
139 HB2 CYS 22 2HB CYS 22 9.408 3.541 2.407
140 HB3 CYS 22 3HB CYS 22 10.945 3.202 3.195
141 H GLY 23 H GLY 23 12.272 1.265 2.024
142 HA2 GLY 23 2HA GLY 23 10.392 -0.765 1.831
143 HA3 GLY 23 3HA GLY 23 11.261 -0.758 0.303
144 H SER 24 H SER 24 11.991 -2.893 0.845
145 HA SER 24 HA SER 24 14.308 -2.832 2.655
146 HB2 SER 24 2HB SER 24 12.328 -4.025 3.676
147 HB3 SER 24 3HB SER 24 12.463 -5.212 2.379
148 HG SER 24 HG SER 24 14.371 -4.603 4.384
149 H GLY 25 H GLY 25 15.351 -5.286 2.256
150 HA2 GLY 25 2HA GLY 25 16.217 -6.773 0.654
151 HA3 GLY 25 3HA GLY 25 15.495 -5.793 -0.614
152 HA PRO 26 HA PRO 26 19.978 -4.835 -0.232
153 HB2 PRO 26 2HB PRO 26 20.978 -6.108 -2.434
154 HB3 PRO 26 3HB PRO 26 21.038 -6.792 -0.822
155 HG2 PRO 26 2HG PRO 26 19.268 -7.514 -3.077
156 HG3 PRO 26 3HG PRO 26 19.640 -8.437 -1.635
157 HD2 PRO 26 2HD PRO 26 17.232 -6.970 -2.160
158 HD3 PRO 26 3HD PRO 26 17.653 -7.796 -0.673
159 H ALA 27 H ALA 27 17.698 -4.788 -2.678
160 HA ALA 27 HA ALA 27 19.049 -2.829 -4.299
161 HB1 ALA 27 1HB ALA 27 16.145 -3.623 -4.410
162 HB2 ALA 27 2HB ALA 27 17.103 -2.858 -5.679
163 HB3 ALA 27 3HB ALA 27 17.443 -4.521 -5.199
164 H TYR 28 H TYR 28 17.539 -2.656 -1.367
165 HA TYR 28 HA TYR 28 16.705 0.135 -1.817
166 HB2 TYR 28 2HB TYR 28 15.609 -1.973 0.033
167 HB3 TYR 28 3HB TYR 28 15.315 -0.261 0.312
168 HD1 TYR 28 HD2 TYR 28 15.189 -2.609 -2.603
169 HD2 TYR 28 HD1 TYR 28 13.269 0.494 -0.414
170 HE1 TYR 28 HE2 TYR 28 13.292 -2.686 -4.167
171 HE2 TYR 28 HE1 TYR 28 11.366 0.424 -1.971
172 HH TYR 28 HH TYR 28 10.348 -1.380 -3.552
173 H CYS 29 H CYS 29 18.296 -2.109 0.399
174 HA CYS 29 HA CYS 29 19.282 0.118 2.012
175 HB2 CYS 29 2HB CYS 29 19.429 -2.878 2.374
176 HB3 CYS 29 3HB CYS 29 20.220 -1.732 3.451
177 H GLY 30 H GLY 30 20.313 -2.100 -0.428
178 HA2 GLY 30 2HA GLY 30 23.136 -1.767 0.083
179 HA3 GLY 30 3HA GLY 30 22.412 -2.596 -1.287
Start of MODEL 16
1 H1 ALA 1 H ALA 1 7.311 0.324 -0.849
2 HA ALA 1 HA ALA 1 6.444 -2.056 0.315
3 HB1 ALA 1 1HB ALA 1 7.253 -1.736 2.647
4 HB2 ALA 1 2HB ALA 1 8.524 -2.161 1.499
5 HB3 ALA 1 3HB ALA 1 8.351 -0.493 2.047
6 H ALA 2 H ALA 2 7.052 1.028 1.974
7 HA ALA 2 HA ALA 2 4.229 1.293 2.550
8 HB1 ALA 2 1HB ALA 2 4.947 3.309 3.819
9 HB2 ALA 2 2HB ALA 2 5.758 1.824 4.318
10 HB3 ALA 2 3HB ALA 2 6.603 2.991 3.301
11 H GLY 3 H GLY 3 6.496 3.820 1.491
12 HA2 GLY 3 2HA GLY 3 5.026 4.364 -0.917
13 HA3 GLY 3 3HA GLY 3 4.699 5.533 0.353
14 H GLN 4 H GLN 4 5.720 7.333 -0.277
15 HA GLN 4 HA GLN 4 8.378 7.172 -1.449
16 HB2 GLN 4 2HB GLN 4 6.763 9.658 -0.884
17 HB3 GLN 4 3HB GLN 4 8.123 9.491 -1.987
18 HG2 GLN 4 2HG GLN 4 6.338 7.625 -2.922
19 HG3 GLN 4 3HG GLN 4 5.299 8.952 -2.406
20 HE21 GLN 4 1HE2 GLN 4 4.705 9.640 -4.407
21 HE22 GLN 4 2HE2 GLN 4 5.801 10.339 -5.545
22 H CYS 5 H CYS 5 10.225 8.066 -0.564
23 HA CYS 5 HA CYS 5 10.421 8.014 2.263
24 HB2 CYS 5 2HB CYS 5 12.420 9.161 0.306
25 HB3 CYS 5 3HB CYS 5 12.744 8.601 1.943
26 H TYR 6 H TYR 6 11.061 9.736 3.675
27 HA TYR 6 HA TYR 6 9.862 12.297 2.894
28 HB2 TYR 6 2HB TYR 6 9.109 11.003 4.976
29 HB3 TYR 6 3HB TYR 6 10.643 11.489 5.691
30 HD1 TYR 6 HD2 TYR 6 8.082 13.266 3.620
31 HD2 TYR 6 HD1 TYR 6 10.329 13.172 7.232
32 HE1 TYR 6 HE2 TYR 6 7.083 15.411 4.291
33 HE2 TYR 6 HE1 TYR 6 9.335 15.316 7.913
34 HH TYR 6 HH TYR 6 7.188 17.113 5.757
35 H ARG 7 H ARG 7 11.178 13.879 2.313
36 HA ARG 7 HA ARG 7 13.084 15.093 1.981
37 HB2 ARG 7 2HB ARG 7 12.317 15.609 4.389
38 HB3 ARG 7 3HB ARG 7 13.673 14.607 4.890
39 HG2 ARG 7 2HG ARG 7 15.217 16.083 3.731
40 HG3 ARG 7 3HG ARG 7 13.867 17.072 3.171
41 HD2 ARG 7 2HD ARG 7 13.339 17.742 5.399
42 HD3 ARG 7 3HD ARG 7 14.470 16.573 6.079
43 HE ARG 7 HE ARG 7 16.183 18.045 5.685
44 HH11 ARG 7 1HH1 ARG 7 13.350 19.076 3.943
45 HH12 ARG 7 2HH1 ARG 7 14.029 20.602 3.483
46 HH21 ARG 7 1HH2 ARG 7 17.087 20.052 5.086
47 HH22 ARG 7 2HH2 ARG 7 16.154 21.156 4.133
48 H GLY 8 H GLY 8 13.361 12.285 1.469
49 HA2 GLY 8 2HA GLY 8 15.110 10.940 0.781
50 HA3 GLY 8 3HA GLY 8 16.227 12.136 1.418
51 H ARG 9 H ARG 9 13.683 10.616 3.299
52 HA ARG 9 HA ARG 9 15.506 8.734 4.525
53 HB2 ARG 9 2HB ARG 9 15.712 11.101 5.634
54 HB3 ARG 9 3HB ARG 9 14.190 10.663 6.399
55 HG2 ARG 9 2HG ARG 9 15.542 9.831 7.987
56 HG3 ARG 9 3HG ARG 9 15.622 8.442 6.902
57 HD2 ARG 9 2HD ARG 9 17.771 8.827 6.372
58 HD3 ARG 9 3HD ARG 9 17.538 10.573 6.289
59 HE ARG 9 HE ARG 9 18.569 9.097 8.487
60 HH11 ARG 9 1HH1 ARG 9 16.639 11.877 7.672
61 HH12 ARG 9 2HH1 ARG 9 17.010 12.727 9.135
62 HH21 ARG 9 1HH2 ARG 9 19.065 10.206 10.418
63 HH22 ARG 9 2HH2 ARG 9 18.391 11.775 10.696
64 H CYS 10 H CYS 10 14.457 6.987 5.295
65 HA CYS 10 HA CYS 10 11.526 7.041 5.183
66 HB2 CYS 10 2HB CYS 10 13.502 4.757 5.083
67 HB3 CYS 10 3HB CYS 10 11.758 4.532 5.161
68 H SER 11 H SER 11 10.574 5.254 6.744
69 HA SER 11 HA SER 11 10.902 6.243 9.365
70 HB2 SER 11 2HB SER 11 8.850 5.085 8.319
71 HB3 SER 11 3HB SER 11 9.659 3.573 8.729
72 HG SER 11 HG SER 11 8.870 5.639 10.506
73 H GLY 12 H GLY 12 11.793 5.296 11.213
74 HA2 GLY 12 2HA GLY 12 14.281 4.120 10.988
75 HA3 GLY 12 3HA GLY 12 13.286 4.049 12.435
76 H GLY 13 H GLY 13 14.574 2.307 9.794
77 HA2 GLY 13 2HA GLY 13 14.646 -0.163 10.483
78 HA3 GLY 13 3HA GLY 13 12.895 -0.029 10.432
79 H LEU 14 H LEU 14 12.797 1.689 8.126
80 HA LEU 14 HA LEU 14 13.272 -0.345 6.086
81 HB2 LEU 14 2HB LEU 14 11.618 2.159 6.178
82 HB3 LEU 14 3HB LEU 14 11.928 1.305 4.668
83 HG LEU 14 HG LEU 14 10.538 0.125 7.072
84 HD11 LEU 14 1HD1 LEU 14 8.528 0.240 5.596
85 HD12 LEU 14 2HD1 LEU 14 9.460 1.257 4.499
86 HD13 LEU 14 3HD1 LEU 14 9.127 1.807 6.141
87 HD21 LEU 14 3HD2 LEU 14 9.855 -1.484 5.089
88 HD22 LEU 14 1HD2 LEU 14 11.339 -1.729 6.010
89 HD23 LEU 14 2HD2 LEU 14 11.400 -0.939 4.434
90 H CYS 15 H CYS 15 13.797 0.667 3.833
91 HA CYS 15 HA CYS 15 15.951 2.649 4.145
92 HB2 CYS 15 2HB CYS 15 16.018 0.040 2.630
93 HB3 CYS 15 3HB CYS 15 17.161 1.343 2.320
94 H CYS 16 H CYS 16 16.333 4.005 2.365
95 HA CYS 16 HA CYS 16 13.996 4.428 0.704
96 HB2 CYS 16 2HB CYS 16 15.385 6.248 1.901
97 HB3 CYS 16 3HB CYS 16 16.532 6.041 0.582
98 H SER 17 H SER 17 13.786 3.783 -1.334
99 HA SER 17 HA SER 17 15.952 2.367 -2.616
100 HB2 SER 17 2HB SER 17 14.354 1.584 -4.148
101 HB3 SER 17 3HB SER 17 13.439 1.745 -2.649
102 HG SER 17 HG SER 17 12.218 3.135 -3.623
103 H LYS 18 H LYS 18 16.303 2.776 -5.022
104 HA LYS 18 HA LYS 18 17.296 5.418 -5.340
105 HB2 LYS 18 2HB LYS 18 18.043 3.115 -6.406
106 HB3 LYS 18 3HB LYS 18 16.936 3.601 -7.684
107 HG2 LYS 18 2HG LYS 18 18.324 5.179 -8.459
108 HG3 LYS 18 3HG LYS 18 18.813 5.688 -6.842
109 HD2 LYS 18 2HD LYS 18 19.959 3.236 -6.975
110 HD3 LYS 18 3HD LYS 18 20.040 3.731 -8.667
111 HE2 LYS 18 2HE LYS 18 22.021 4.571 -7.839
112 HE3 LYS 18 3HE LYS 18 20.952 5.963 -7.682
113 HZ1 LYS 18 3HZ LYS 18 20.858 5.752 -5.417
114 HZ2 LYS 18 1HZ LYS 18 22.440 5.223 -5.702
115 HZ3 LYS 18 2HZ LYS 18 21.208 4.097 -5.429
116 H TYR 19 H TYR 19 14.225 4.145 -5.715
117 HA TYR 19 HA TYR 19 13.460 6.084 -7.778
118 HB2 TYR 19 2HB TYR 19 12.279 3.548 -6.753
119 HB3 TYR 19 3HB TYR 19 11.177 4.771 -7.373
120 HD1 TYR 19 HD2 TYR 19 11.575 5.637 -9.744
121 HD2 TYR 19 HD1 TYR 19 13.429 2.125 -8.217
122 HE1 TYR 19 HE2 TYR 19 12.024 4.882 -12.041
123 HE2 TYR 19 HE1 TYR 19 13.885 1.361 -10.510
124 HH TYR 19 HH TYR 19 13.905 3.215 -13.094
125 H GLY 20 H GLY 20 13.879 6.170 -4.595
126 HA2 GLY 20 2HA GLY 20 13.200 7.817 -3.101
127 HA3 GLY 20 3HA GLY 20 11.968 8.315 -4.252
128 H TYR 21 H TYR 21 11.878 4.995 -3.764
129 HA TYR 21 HA TYR 21 9.592 5.305 -1.941
130 HB2 TYR 21 2HB TYR 21 10.241 3.018 -3.812
131 HB3 TYR 21 3HB TYR 21 8.792 3.165 -2.823
132 HD1 TYR 21 HD2 TYR 21 7.701 5.698 -3.200
133 HD2 TYR 21 HD1 TYR 21 9.850 3.380 -6.048
134 HE1 TYR 21 HE2 TYR 21 6.574 6.905 -5.023
135 HE2 TYR 21 HE1 TYR 21 8.730 4.581 -7.879
136 HH TYR 21 HH TYR 21 6.074 6.130 -7.709
137 H CYS 22 H CYS 22 9.498 4.230 -0.036
138 HA CYS 22 HA CYS 22 11.944 3.168 1.020
139 HB2 CYS 22 2HB CYS 22 9.188 3.204 2.267
140 HB3 CYS 22 3HB CYS 22 10.711 2.935 3.108
141 H GLY 23 H GLY 23 12.160 1.060 2.019
142 HA2 GLY 23 2HA GLY 23 10.396 -1.062 1.795
143 HA3 GLY 23 3HA GLY 23 11.302 -1.030 0.290
144 H SER 24 H SER 24 12.119 -3.122 0.880
145 HA SER 24 HA SER 24 14.393 -2.922 2.734
146 HB2 SER 24 2HB SER 24 12.448 -4.182 3.744
147 HB3 SER 24 3HB SER 24 12.663 -5.388 2.476
148 HG SER 24 HG SER 24 13.770 -5.835 4.500
149 H GLY 25 H GLY 25 15.548 -5.338 2.404
150 HA2 GLY 25 2HA GLY 25 16.506 -6.817 0.848
151 HA3 GLY 25 3HA GLY 25 15.770 -5.891 -0.452
152 HA PRO 26 HA PRO 26 20.199 -4.737 -0.005
153 HB2 PRO 26 2HB PRO 26 21.293 -6.004 -2.165
154 HB3 PRO 26 3HB PRO 26 21.351 -6.657 -0.540
155 HG2 PRO 26 2HG PRO 26 19.657 -7.492 -2.814
156 HG3 PRO 26 3HG PRO 26 20.040 -8.374 -1.349
157 HD2 PRO 26 2HD PRO 26 17.583 -7.018 -1.944
158 HD3 PRO 26 3HD PRO 26 18.009 -7.801 -0.435
159 H ALA 27 H ALA 27 17.967 -4.828 -2.492
160 HA ALA 27 HA ALA 27 19.265 -2.842 -4.123
161 HB1 ALA 27 1HB ALA 27 17.154 -2.880 -5.416
162 HB2 ALA 27 2HB ALA 27 17.865 -4.480 -5.198
163 HB3 ALA 27 3HB ALA 27 16.479 -3.990 -4.223
164 H TYR 28 H TYR 28 17.692 -2.684 -1.223
165 HA TYR 28 HA TYR 28 16.749 0.061 -1.738
166 HB2 TYR 28 2HB TYR 28 15.709 -2.060 0.128
167 HB3 TYR 28 3HB TYR 28 15.337 -0.357 0.373
168 HD1 TYR 28 HD2 TYR 28 15.365 -2.754 -2.505
169 HD2 TYR 28 HD1 TYR 28 13.275 0.297 -0.401
170 HE1 TYR 28 HE2 TYR 28 13.503 -2.937 -4.102
171 HE2 TYR 28 HE1 TYR 28 11.406 0.121 -1.991
172 HH TYR 28 HH TYR 28 10.718 -2.236 -3.767
173 H CYS 29 H CYS 29 18.394 -2.074 0.544
174 HA CYS 29 HA CYS 29 19.252 0.220 2.137
175 HB2 CYS 29 2HB CYS 29 19.484 -2.762 2.548
176 HB3 CYS 29 3HB CYS 29 20.264 -1.589 3.604
177 H GLY 30 H GLY 30 20.425 -1.994 -0.245
178 HA2 GLY 30 2HA GLY 30 23.220 -1.507 0.311
179 HA3 GLY 30 3HA GLY 30 22.565 -2.419 -1.042
Start of MODEL 17
1 H1 ALA 1 H ALA 1 4.510 3.328 4.886
2 HA ALA 1 HA ALA 1 7.289 3.719 5.183
3 HB1 ALA 1 1HB ALA 1 6.174 1.427 6.796
4 HB2 ALA 1 2HB ALA 1 7.880 1.813 6.562
5 HB3 ALA 1 3HB ALA 1 6.841 2.917 7.463
6 H ALA 2 H ALA 2 6.349 3.504 2.880
7 HA ALA 2 HA ALA 2 7.351 1.130 1.747
8 HB1 ALA 2 1HB ALA 2 5.223 0.228 0.818
9 HB2 ALA 2 2HB ALA 2 5.377 0.050 2.566
10 HB3 ALA 2 3HB ALA 2 4.347 1.315 1.896
11 H GLY 3 H GLY 3 5.228 3.918 1.417
12 HA2 GLY 3 2HA GLY 3 5.316 4.039 -1.426
13 HA3 GLY 3 3HA GLY 3 4.828 5.339 -0.349
14 H GLN 4 H GLN 4 5.943 7.082 -0.949
15 HA GLN 4 HA GLN 4 8.713 6.828 -1.802
16 HB2 GLN 4 2HB GLN 4 7.059 8.275 -3.020
17 HB3 GLN 4 3HB GLN 4 7.033 9.330 -1.614
18 HG2 GLN 4 2HG GLN 4 9.516 9.594 -1.903
19 HG3 GLN 4 3HG GLN 4 9.342 8.762 -3.447
20 HE21 GLN 4 1HE2 GLN 4 8.788 11.676 -1.684
21 HE22 GLN 4 2HE2 GLN 4 8.279 12.642 -3.023
22 H CYS 5 H CYS 5 10.450 7.898 -0.825
23 HA CYS 5 HA CYS 5 10.383 7.974 2.008
24 HB2 CYS 5 2HB CYS 5 12.502 9.101 0.167
25 HB3 CYS 5 3HB CYS 5 12.701 8.684 1.866
26 H TYR 6 H TYR 6 10.863 9.795 3.380
27 HA TYR 6 HA TYR 6 9.700 12.288 2.336
28 HB2 TYR 6 2HB TYR 6 8.467 11.245 4.198
29 HB3 TYR 6 3HB TYR 6 9.913 11.330 5.199
30 HD1 TYR 6 HD1 TYR 6 8.074 13.735 2.995
31 HD2 TYR 6 HD2 TYR 6 9.774 12.957 6.817
32 HE1 TYR 6 HE1 TYR 6 7.421 15.987 3.737
33 HE2 TYR 6 HE2 TYR 6 9.124 15.206 7.570
34 HH TYR 6 HH TYR 6 7.182 17.334 5.541
35 H ARG 7 H ARG 7 11.105 13.843 1.910
36 HA ARG 7 HA ARG 7 13.034 15.065 1.873
37 HB2 ARG 7 2HB ARG 7 11.799 15.595 4.134
38 HB3 ARG 7 3HB ARG 7 13.188 14.786 4.847
39 HG2 ARG 7 2HG ARG 7 14.682 16.376 3.744
40 HG3 ARG 7 3HG ARG 7 13.284 17.190 3.037
41 HD2 ARG 7 2HD ARG 7 12.787 18.256 4.951
42 HD3 ARG 7 3HD ARG 7 13.137 16.840 5.941
43 HE ARG 7 HE ARG 7 15.568 17.824 5.028
44 HH11 ARG 7 1HH1 ARG 7 12.936 18.874 7.051
45 HH12 ARG 7 2HH1 ARG 7 13.932 19.884 8.046
46 HH21 ARG 7 1HH2 ARG 7 16.889 19.151 6.330
47 HH22 ARG 7 2HH2 ARG 7 16.180 20.042 7.634
48 H GLY 8 H GLY 8 13.500 12.339 1.440
49 HA2 GLY 8 2HA GLY 8 15.327 10.956 1.215
50 HA3 GLY 8 3HA GLY 8 16.293 12.203 1.990
51 H ARG 9 H ARG 9 13.457 10.757 3.459
52 HA ARG 9 HA ARG 9 15.118 9.069 5.165
53 HB2 ARG 9 2HB ARG 9 14.843 11.377 6.212
54 HB3 ARG 9 3HB ARG 9 13.137 10.986 6.384
55 HG2 ARG 9 2HG ARG 9 13.721 9.055 7.766
56 HG3 ARG 9 3HG ARG 9 15.430 9.460 7.600
57 HD2 ARG 9 2HD ARG 9 14.619 11.794 8.507
58 HD3 ARG 9 3HD ARG 9 13.288 10.833 9.149
59 HE ARG 9 HE ARG 9 15.510 9.472 9.924
60 HH11 ARG 9 1HH1 ARG 9 14.430 12.763 10.272
61 HH12 ARG 9 2HH1 ARG 9 15.249 13.010 11.779
62 HH21 ARG 9 1HH2 ARG 9 16.592 9.785 11.908
63 HH22 ARG 9 2HH2 ARG 9 16.479 11.316 12.708
64 H CYS 10 H CYS 10 14.134 7.215 5.760
65 HA CYS 10 HA CYS 10 11.368 6.837 4.856
66 HB2 CYS 10 2HB CYS 10 13.641 4.926 5.365
67 HB3 CYS 10 3HB CYS 10 11.982 4.364 5.187
68 H SER 11 H SER 11 10.426 4.814 6.264
69 HA SER 11 HA SER 11 10.175 5.935 8.945
70 HB2 SER 11 2HB SER 11 8.512 4.165 7.224
71 HB3 SER 11 3HB SER 11 8.372 3.959 8.970
72 HG SER 11 HG SER 11 8.269 6.545 7.898
73 H GLY 12 H GLY 12 10.331 4.643 10.842
74 HA2 GLY 12 2HA GLY 12 11.488 3.198 12.205
75 HA3 GLY 12 3HA GLY 12 11.016 1.979 11.030
76 H GLY 13 H GLY 13 12.611 0.913 10.065
77 HA2 GLY 13 2HA GLY 13 15.242 2.244 9.875
78 HA3 GLY 13 3HA GLY 13 15.083 0.567 10.379
79 H LEU 14 H LEU 14 13.108 1.967 7.857
80 HA LEU 14 HA LEU 14 13.936 -0.048 6.001
81 HB2 LEU 14 2HB LEU 14 12.086 2.307 5.854
82 HB3 LEU 14 3HB LEU 14 12.483 1.366 4.417
83 HG LEU 14 HG LEU 14 11.127 0.320 6.902
84 HD11 LEU 14 1HD1 LEU 14 9.189 0.057 5.394
85 HD12 LEU 14 2HD1 LEU 14 10.081 0.916 4.139
86 HD13 LEU 14 3HD1 LEU 14 9.650 1.742 5.636
87 HD21 LEU 14 3HD2 LEU 14 10.822 -1.451 4.760
88 HD22 LEU 14 1HD2 LEU 14 11.782 -1.689 6.220
89 HD23 LEU 14 2HD2 LEU 14 12.531 -1.012 4.773
90 H CYS 15 H CYS 15 14.362 0.767 3.635
91 HA CYS 15 HA CYS 15 16.453 2.840 3.748
92 HB2 CYS 15 2HB CYS 15 16.469 0.175 2.336
93 HB3 CYS 15 3HB CYS 15 17.563 1.480 1.888
94 H CYS 16 H CYS 16 16.733 4.128 1.894
95 HA CYS 16 HA CYS 16 14.302 4.440 0.331
96 HB2 CYS 16 2HB CYS 16 15.793 6.307 1.460
97 HB3 CYS 16 3HB CYS 16 16.703 6.183 -0.042
98 H SER 17 H SER 17 14.058 3.797 -1.708
99 HA SER 17 HA SER 17 16.224 2.414 -3.025
100 HB2 SER 17 2HB SER 17 14.609 1.581 -4.513
101 HB3 SER 17 3HB SER 17 13.727 1.737 -2.994
102 HG SER 17 HG SER 17 12.455 3.098 -3.944
103 H LYS 18 H LYS 18 16.517 2.806 -5.439
104 HA LYS 18 HA LYS 18 17.439 5.468 -5.807
105 HB2 LYS 18 2HB LYS 18 17.077 3.415 -7.985
106 HB3 LYS 18 3HB LYS 18 18.230 4.742 -7.932
107 HG2 LYS 18 2HG LYS 18 19.707 3.252 -7.208
108 HG3 LYS 18 3HG LYS 18 18.835 3.282 -5.673
109 HD2 LYS 18 2HD LYS 18 18.500 1.095 -5.978
110 HD3 LYS 18 3HD LYS 18 17.346 1.554 -7.232
111 HE2 LYS 18 2HE LYS 18 18.815 1.102 -8.938
112 HE3 LYS 18 3HE LYS 18 20.236 1.388 -7.934
113 HZ1 LYS 18 3HZ LYS 18 19.756 -0.699 -6.774
114 HZ2 LYS 18 1HZ LYS 18 20.023 -0.945 -8.426
115 HZ3 LYS 18 2HZ LYS 18 18.448 -0.980 -7.810
116 H TYR 19 H TYR 19 14.393 4.115 -6.106
117 HA TYR 19 HA TYR 19 13.538 6.003 -8.179
118 HB2 TYR 19 2HB TYR 19 12.447 3.456 -7.090
119 HB3 TYR 19 3HB TYR 19 11.294 4.645 -7.685
120 HD1 TYR 19 HD1 TYR 19 11.730 5.570 -10.076
121 HD2 TYR 19 HD2 TYR 19 13.443 1.975 -8.577
122 HE1 TYR 19 HE1 TYR 19 12.124 4.804 -12.380
123 HE2 TYR 19 HE2 TYR 19 13.843 1.200 -10.877
124 HH TYR 19 HH TYR 19 12.391 2.298 -13.465
125 H GLY 20 H GLY 20 14.014 6.133 -4.997
126 HA2 GLY 20 2HA GLY 20 13.339 7.808 -3.527
127 HA3 GLY 20 3HA GLY 20 12.061 8.245 -4.652
128 H TYR 21 H TYR 21 12.050 4.940 -4.126
129 HA TYR 21 HA TYR 21 9.820 5.222 -2.233
130 HB2 TYR 21 2HB TYR 21 10.480 2.905 -4.062
131 HB3 TYR 21 3HB TYR 21 9.046 3.055 -3.053
132 HD1 TYR 21 HD2 TYR 21 7.889 5.544 -3.482
133 HD2 TYR 21 HD1 TYR 21 10.060 3.210 -6.300
134 HE1 TYR 21 HE2 TYR 21 6.711 6.677 -5.319
135 HE2 TYR 21 HE1 TYR 21 8.889 4.338 -8.145
136 HH TYR 21 HH TYR 21 6.795 7.083 -7.587
137 H CYS 22 H CYS 22 9.816 4.197 -0.301
138 HA CYS 22 HA CYS 22 12.316 3.218 0.704
139 HB2 CYS 22 2HB CYS 22 9.576 3.314 1.985
140 HB3 CYS 22 3HB CYS 22 11.072 2.919 2.825
141 H GLY 23 H GLY 23 12.554 1.140 1.819
142 HA2 GLY 23 2HA GLY 23 10.860 -1.027 1.665
143 HA3 GLY 23 3HA GLY 23 11.725 -1.013 0.136
144 H SER 24 H SER 24 12.614 -3.065 0.747
145 HA SER 24 HA SER 24 14.933 -2.766 2.528
146 HB2 SER 24 2HB SER 24 13.043 -4.029 3.639
147 HB3 SER 24 3HB SER 24 13.250 -5.275 2.408
148 HG SER 24 HG SER 24 15.317 -4.372 4.130
149 H GLY 25 H GLY 25 16.117 -5.178 2.239
150 HA2 GLY 25 2HA GLY 25 17.064 -6.683 0.706
151 HA3 GLY 25 3HA GLY 25 16.257 -5.827 -0.600
152 HA PRO 26 HA PRO 26 20.668 -4.550 -0.370
153 HB2 PRO 26 2HB PRO 26 21.706 -5.863 -2.529
154 HB3 PRO 26 3HB PRO 26 21.845 -6.460 -0.887
155 HG2 PRO 26 2HG PRO 26 20.083 -7.411 -3.062
156 HG3 PRO 26 3HG PRO 26 20.545 -8.233 -1.585
157 HD2 PRO 26 2HD PRO 26 18.034 -6.957 -2.125
158 HD3 PRO 26 3HD PRO 26 18.539 -7.677 -0.609
159 H ALA 27 H ALA 27 18.335 -4.770 -2.750
160 HA ALA 27 HA ALA 27 19.517 -2.821 -4.508
161 HB1 ALA 27 1HB ALA 27 17.475 -2.997 -5.784
162 HB2 ALA 27 2HB ALA 27 18.029 -4.610 -5.333
163 HB3 ALA 27 3HB ALA 27 16.688 -3.863 -4.465
164 H TYR 28 H TYR 28 18.069 -2.589 -1.545
165 HA TYR 28 HA TYR 28 17.075 0.128 -2.106
166 HB2 TYR 28 2HB TYR 28 16.125 -1.944 -0.139
167 HB3 TYR 28 3HB TYR 28 15.743 -0.238 0.064
168 HD1 TYR 28 HD2 TYR 28 15.690 -2.737 -2.725
169 HD2 TYR 28 HD1 TYR 28 13.653 0.380 -0.665
170 HE1 TYR 28 HE2 TYR 28 13.775 -2.991 -4.247
171 HE2 TYR 28 HE1 TYR 28 11.732 0.133 -2.181
172 HH TYR 28 HH TYR 28 11.809 -1.284 -5.033
173 H CYS 29 H CYS 29 18.834 -1.922 0.165
174 HA CYS 29 HA CYS 29 19.717 0.421 1.669
175 HB2 CYS 29 2HB CYS 29 20.007 -2.547 2.135
176 HB3 CYS 29 3HB CYS 29 20.824 -1.343 3.127
177 H GLY 30 H GLY 30 20.833 -1.827 -0.708
178 HA2 GLY 30 2HA GLY 30 23.639 -1.312 -0.276
179 HA3 GLY 30 3HA GLY 30 22.934 -2.220 -1.606
Start of MODEL 18
1 H1 ALA 1 H ALA 1 3.609 -0.749 -4.709
2 HA ALA 1 HA ALA 1 2.890 1.705 -3.548
3 HB1 ALA 1 1HB ALA 1 0.645 0.483 -3.633
4 HB2 ALA 1 2HB ALA 1 1.298 -0.539 -2.352
5 HB3 ALA 1 3HB ALA 1 1.130 1.197 -2.095
6 H ALA 2 H ALA 2 4.072 2.075 -1.734
7 HA ALA 2 HA ALA 2 5.043 -0.051 -0.068
8 HB1 ALA 2 1HB ALA 2 6.635 -0.372 -1.804
9 HB2 ALA 2 2HB ALA 2 6.945 1.361 -1.925
10 HB3 ALA 2 3HB ALA 2 7.460 0.471 -0.492
11 H GLY 3 H GLY 3 5.459 3.330 -1.068
12 HA2 GLY 3 2HA GLY 3 4.718 4.917 0.753
13 HA3 GLY 3 3HA GLY 3 5.839 4.030 1.776
14 H GLN 4 H GLN 4 5.626 6.897 0.670
15 HA GLN 4 HA GLN 4 8.157 7.129 -0.747
16 HB2 GLN 4 2HB GLN 4 6.070 8.464 -1.329
17 HB3 GLN 4 3HB GLN 4 6.361 9.382 0.143
18 HG2 GLN 4 2HG GLN 4 8.275 10.366 -0.688
19 HG3 GLN 4 3HG GLN 4 8.527 9.100 -1.890
20 HE21 GLN 4 1HE2 GLN 4 7.513 9.229 -3.848
21 HE22 GLN 4 2HE2 GLN 4 6.628 10.618 -4.370
22 H CYS 5 H CYS 5 10.009 7.972 0.076
23 HA CYS 5 HA CYS 5 10.388 7.910 2.884
24 HB2 CYS 5 2HB CYS 5 12.194 9.056 0.744
25 HB3 CYS 5 3HB CYS 5 12.670 8.662 2.392
26 H TYR 6 H TYR 6 11.845 9.937 3.724
27 HA TYR 6 HA TYR 6 10.301 12.384 3.197
28 HB2 TYR 6 2HB TYR 6 10.823 11.035 5.818
29 HB3 TYR 6 3HB TYR 6 10.697 12.790 5.764
30 HD1 TYR 6 HD1 TYR 6 8.576 13.856 5.064
31 HD2 TYR 6 HD2 TYR 6 8.893 9.645 5.581
32 HE1 TYR 6 HE1 TYR 6 6.123 13.687 5.137
33 HE2 TYR 6 HE2 TYR 6 6.441 9.464 5.655
34 HH TYR 6 HH TYR 6 4.503 10.929 6.195
35 H ARG 7 H ARG 7 11.632 13.900 2.488
36 HA ARG 7 HA ARG 7 13.546 15.065 2.045
37 HB2 ARG 7 2HB ARG 7 12.872 15.650 4.483
38 HB3 ARG 7 3HB ARG 7 14.271 14.684 4.934
39 HG2 ARG 7 2HG ARG 7 15.659 16.156 3.470
40 HG3 ARG 7 3HG ARG 7 14.240 17.183 3.262
41 HD2 ARG 7 2HD ARG 7 14.209 17.790 5.526
42 HD3 ARG 7 3HD ARG 7 15.270 16.458 5.985
43 HE ARG 7 HE ARG 7 17.082 17.753 5.438
44 HH11 ARG 7 1HH1 ARG 7 14.194 19.203 4.143
45 HH12 ARG 7 2HH1 ARG 7 14.986 20.669 3.669
46 HH21 ARG 7 1HH2 ARG 7 18.136 19.679 4.819
47 HH22 ARG 7 2HH2 ARG 7 17.228 20.938 4.054
48 H GLY 8 H GLY 8 13.738 12.205 1.681
49 HA2 GLY 8 2HA GLY 8 15.445 10.818 0.955
50 HA3 GLY 8 3HA GLY 8 16.606 12.008 1.525
51 H ARG 9 H ARG 9 14.085 10.604 3.523
52 HA ARG 9 HA ARG 9 15.900 8.718 4.753
53 HB2 ARG 9 2HB ARG 9 15.128 11.293 6.038
54 HB3 ARG 9 3HB ARG 9 15.199 9.857 7.052
55 HG2 ARG 9 2HG ARG 9 17.370 10.232 7.273
56 HG3 ARG 9 3HG ARG 9 17.552 9.792 5.573
57 HD2 ARG 9 2HD ARG 9 17.228 12.121 4.926
58 HD3 ARG 9 3HD ARG 9 17.002 12.569 6.616
59 HE ARG 9 HE ARG 9 19.496 11.262 6.199
60 HH11 ARG 9 1HH1 ARG 9 17.845 14.304 5.830
61 HH12 ARG 9 2HH1 ARG 9 19.292 15.251 5.928
62 HH21 ARG 9 1HH2 ARG 9 21.409 12.497 6.330
63 HH22 ARG 9 2HH2 ARG 9 21.319 14.222 6.212
64 H CYS 10 H CYS 10 14.835 7.022 5.612
65 HA CYS 10 HA CYS 10 11.901 7.155 5.607
66 HB2 CYS 10 2HB CYS 10 13.771 4.779 5.502
67 HB3 CYS 10 3HB CYS 10 12.014 4.667 5.541
68 H SER 11 H SER 11 11.188 5.111 7.198
69 HA SER 11 HA SER 11 12.480 5.487 9.792
70 HB2 SER 11 2HB SER 11 10.411 6.032 10.921
71 HB3 SER 11 3HB SER 11 10.651 7.184 9.608
72 HG SER 11 HG SER 11 8.524 5.807 10.004
73 H GLY 12 H GLY 12 10.851 4.128 11.429
74 HA2 GLY 12 2HA GLY 12 10.261 2.008 12.082
75 HA3 GLY 12 3HA GLY 12 9.665 1.787 10.444
76 H GLY 13 H GLY 13 12.979 2.612 10.727
77 HA2 GLY 13 2HA GLY 13 14.918 1.361 10.595
78 HA3 GLY 13 3HA GLY 13 13.975 -0.070 10.985
79 H LEU 14 H LEU 14 12.932 1.900 8.351
80 HA LEU 14 HA LEU 14 13.575 -0.266 6.506
81 HB2 LEU 14 2HB LEU 14 11.780 2.135 6.347
82 HB3 LEU 14 3HB LEU 14 12.163 1.165 4.927
83 HG LEU 14 HG LEU 14 10.874 0.042 7.409
84 HD11 LEU 14 1HD1 LEU 14 8.761 0.267 6.393
85 HD12 LEU 14 2HD1 LEU 14 9.465 0.765 4.855
86 HD13 LEU 14 3HD1 LEU 14 9.532 1.846 6.247
87 HD21 LEU 14 3HD2 LEU 14 11.015 -1.027 4.593
88 HD22 LEU 14 1HD2 LEU 14 10.345 -1.837 6.010
89 HD23 LEU 14 2HD2 LEU 14 12.079 -1.528 5.909
90 H CYS 15 H CYS 15 14.081 0.573 4.178
91 HA CYS 15 HA CYS 15 16.189 2.624 4.378
92 HB2 CYS 15 2HB CYS 15 16.215 0.094 2.718
93 HB3 CYS 15 3HB CYS 15 17.452 1.346 2.675
94 H CYS 16 H CYS 16 16.384 4.078 2.708
95 HA CYS 16 HA CYS 16 14.039 4.409 1.056
96 HB2 CYS 16 2HB CYS 16 15.446 6.246 2.264
97 HB3 CYS 16 3HB CYS 16 16.492 6.127 0.852
98 H SER 17 H SER 17 13.821 3.800 -0.994
99 HA SER 17 HA SER 17 16.009 2.467 -2.325
100 HB2 SER 17 2HB SER 17 14.414 1.668 -3.855
101 HB3 SER 17 3HB SER 17 13.521 1.767 -2.337
102 HG SER 17 HG SER 17 12.240 3.141 -3.255
103 H LYS 18 H LYS 18 16.303 2.923 -4.734
104 HA LYS 18 HA LYS 18 17.225 5.595 -5.022
105 HB2 LYS 18 2HB LYS 18 16.910 3.437 -7.118
106 HB3 LYS 18 3HB LYS 18 17.844 4.916 -7.302
107 HG2 LYS 18 2HG LYS 18 18.483 3.092 -5.040
108 HG3 LYS 18 3HG LYS 18 19.000 2.653 -6.669
109 HD2 LYS 18 2HD LYS 18 19.566 5.354 -5.475
110 HD3 LYS 18 3HD LYS 18 20.649 3.978 -5.250
111 HE2 LYS 18 2HE LYS 18 21.554 4.333 -7.246
112 HE3 LYS 18 3HE LYS 18 19.975 4.179 -8.014
113 HZ1 LYS 18 3HZ LYS 18 20.445 6.712 -6.701
114 HZ2 LYS 18 1HZ LYS 18 19.770 6.386 -8.218
115 HZ3 LYS 18 2HZ LYS 18 21.450 6.413 -8.028
116 H TYR 19 H TYR 19 14.181 4.252 -5.367
117 HA TYR 19 HA TYR 19 13.330 6.196 -7.388
118 HB2 TYR 19 2HB TYR 19 12.230 3.625 -6.364
119 HB3 TYR 19 3HB TYR 19 11.084 4.830 -6.939
120 HD1 TYR 19 HD2 TYR 19 14.078 2.876 -7.947
121 HD2 TYR 19 HD1 TYR 19 10.690 5.104 -9.237
122 HE1 TYR 19 HE2 TYR 19 14.491 2.154 -10.262
123 HE2 TYR 19 HE1 TYR 19 11.093 4.387 -11.555
124 HH TYR 19 HH TYR 19 12.306 3.088 -12.896
125 H GLY 20 H GLY 20 13.784 6.211 -4.190
126 HA2 GLY 20 2HA GLY 20 13.115 7.857 -2.680
127 HA3 GLY 20 3HA GLY 20 11.840 8.326 -3.794
128 H TYR 21 H TYR 21 11.856 5.002 -3.330
129 HA TYR 21 HA TYR 21 9.623 5.235 -1.430
130 HB2 TYR 21 2HB TYR 21 10.252 3.033 -3.407
131 HB3 TYR 21 3HB TYR 21 8.870 3.058 -2.317
132 HD1 TYR 21 HD1 TYR 21 7.976 5.853 -2.545
133 HD2 TYR 21 HD2 TYR 21 9.336 3.159 -5.544
134 HE1 TYR 21 HE1 TYR 21 6.666 7.076 -4.229
135 HE2 TYR 21 HE2 TYR 21 8.031 4.376 -7.237
136 HH TYR 21 HH TYR 21 6.901 6.310 -7.651
137 H CYS 22 H CYS 22 9.651 4.173 0.474
138 HA CYS 22 HA CYS 22 12.148 3.099 1.392
139 HB2 CYS 22 2HB CYS 22 9.457 3.169 2.775
140 HB3 CYS 22 3HB CYS 22 11.007 2.838 3.542
141 H GLY 23 H GLY 23 12.391 0.987 2.394
142 HA2 GLY 23 2HA GLY 23 10.602 -1.124 2.225
143 HA3 GLY 23 3HA GLY 23 11.467 -1.097 0.696
144 H SER 24 H SER 24 12.315 -3.178 1.231
145 HA SER 24 HA SER 24 14.613 -3.004 3.059
146 HB2 SER 24 2HB SER 24 12.690 -4.299 4.064
147 HB3 SER 24 3HB SER 24 12.893 -5.473 2.764
148 HG SER 24 HG SER 24 14.198 -6.301 4.235
149 H GLY 25 H GLY 25 15.781 -5.403 2.661
150 HA2 GLY 25 2HA GLY 25 16.756 -6.829 1.075
151 HA3 GLY 25 3HA GLY 25 15.960 -5.920 -0.201
152 HA PRO 26 HA PRO 26 20.365 -4.644 0.131
153 HB2 PRO 26 2HB PRO 26 21.431 -5.864 -2.070
154 HB3 PRO 26 3HB PRO 26 21.553 -6.528 -0.453
155 HG2 PRO 26 2HG PRO 26 19.818 -7.392 -2.685
156 HG3 PRO 26 3HG PRO 26 20.266 -8.273 -1.238
157 HD2 PRO 26 2HD PRO 26 17.757 -6.982 -1.752
158 HD3 PRO 26 3HD PRO 26 18.248 -7.763 -0.262
159 H ALA 27 H ALA 27 18.055 -4.766 -2.278
160 HA ALA 27 HA ALA 27 19.251 -2.753 -3.949
161 HB1 ALA 27 1HB ALA 27 17.905 -4.105 -5.213
162 HB2 ALA 27 2HB ALA 27 16.688 -4.267 -3.947
163 HB3 ALA 27 3HB ALA 27 16.792 -2.777 -4.884
164 H TYR 28 H TYR 28 17.785 -2.633 -0.985
165 HA TYR 28 HA TYR 28 16.821 0.115 -1.440
166 HB2 TYR 28 2HB TYR 28 15.827 -2.028 0.429
167 HB3 TYR 28 3HB TYR 28 15.454 -0.328 0.691
168 HD1 TYR 28 HD2 TYR 28 15.418 -2.730 -2.182
169 HD2 TYR 28 HD1 TYR 28 13.385 0.342 -0.053
170 HE1 TYR 28 HE2 TYR 28 13.523 -2.912 -3.740
171 HE2 TYR 28 HE1 TYR 28 11.484 0.168 -1.604
172 HH TYR 28 HH TYR 28 10.757 -0.717 -3.534
173 H CYS 29 H CYS 29 18.527 -2.052 0.764
174 HA CYS 29 HA CYS 29 19.408 0.209 2.387
175 HB2 CYS 29 2HB CYS 29 19.799 -2.772 2.713
176 HB3 CYS 29 3HB CYS 29 20.431 -1.563 3.824
177 H GLY 30 H GLY 30 20.542 -1.918 -0.091
178 HA2 GLY 30 2HA GLY 30 23.344 -1.460 0.393
179 HA3 GLY 30 3HA GLY 30 22.642 -2.257 -1.007
Start of MODEL 19
1 H1 ALA 1 H ALA 1 8.494 1.539 3.118
2 HA ALA 1 HA ALA 1 7.851 -0.747 1.581
3 HB1 ALA 1 1HB ALA 1 7.208 -2.291 3.350
4 HB2 ALA 1 2HB ALA 1 8.931 -1.923 3.437
5 HB3 ALA 1 3HB ALA 1 7.809 -1.166 4.568
6 H ALA 2 H ALA 2 6.825 1.764 1.561
7 HA ALA 2 HA ALA 2 4.046 1.260 2.170
8 HB1 ALA 2 1HB ALA 2 4.370 2.190 4.241
9 HB2 ALA 2 2HB ALA 2 5.655 3.262 3.681
10 HB3 ALA 2 3HB ALA 2 3.973 3.626 3.297
11 H GLY 3 H GLY 3 6.142 4.071 1.466
12 HA2 GLY 3 2HA GLY 3 5.048 4.288 -1.202
13 HA3 GLY 3 3HA GLY 3 4.530 5.562 -0.109
14 H GLN 4 H GLN 4 5.592 7.322 -0.791
15 HA GLN 4 HA GLN 4 8.334 7.173 -1.682
16 HB2 GLN 4 2HB GLN 4 6.516 8.705 -2.631
17 HB3 GLN 4 3HB GLN 4 6.757 9.692 -1.196
18 HG2 GLN 4 2HG GLN 4 8.232 10.768 -2.490
19 HG3 GLN 4 3HG GLN 4 9.303 9.442 -2.036
20 HE21 GLN 4 1HE2 GLN 4 6.895 10.350 -4.467
21 HE22 GLN 4 2HE2 GLN 4 7.675 9.557 -5.789
22 H CYS 5 H CYS 5 10.117 8.132 -0.701
23 HA CYS 5 HA CYS 5 10.167 8.030 2.132
24 HB2 CYS 5 2HB CYS 5 12.227 9.244 0.279
25 HB3 CYS 5 3HB CYS 5 12.488 8.716 1.938
26 H TYR 6 H TYR 6 11.435 10.002 3.237
27 HA TYR 6 HA TYR 6 10.045 12.491 2.517
28 HB2 TYR 6 2HB TYR 6 8.853 11.428 4.391
29 HB3 TYR 6 3HB TYR 6 10.348 11.390 5.319
30 HD1 TYR 6 HD1 TYR 6 7.689 13.544 3.985
31 HD2 TYR 6 HD2 TYR 6 11.220 13.388 6.355
32 HE1 TYR 6 HE1 TYR 6 7.191 15.786 4.864
33 HE2 TYR 6 HE2 TYR 6 10.730 15.630 7.241
34 HH TYR 6 HH TYR 6 8.012 17.530 6.032
35 H ARG 7 H ARG 7 11.493 14.011 2.104
36 HA ARG 7 HA ARG 7 13.472 15.148 2.026
37 HB2 ARG 7 2HB ARG 7 12.411 15.686 4.325
38 HB3 ARG 7 3HB ARG 7 13.677 14.658 4.983
39 HG2 ARG 7 2HG ARG 7 15.337 16.143 4.487
40 HG3 ARG 7 3HG ARG 7 14.461 16.835 3.120
41 HD2 ARG 7 2HD ARG 7 13.117 17.237 5.676
42 HD3 ARG 7 3HD ARG 7 14.721 17.966 5.614
43 HE ARG 7 HE ARG 7 12.384 18.869 4.267
44 HH11 ARG 7 1HH1 ARG 7 15.845 18.624 3.975
45 HH12 ARG 7 2HH1 ARG 7 15.982 19.986 2.912
46 HH21 ARG 7 1HH2 ARG 7 12.552 20.663 2.868
47 HH22 ARG 7 2HH2 ARG 7 14.109 21.145 2.284
48 H GLY 8 H GLY 8 13.676 12.293 1.609
49 HA2 GLY 8 2HA GLY 8 15.434 10.862 1.160
50 HA3 GLY 8 3HA GLY 8 16.522 12.042 1.874
51 H ARG 9 H ARG 9 13.731 10.611 3.473
52 HA ARG 9 HA ARG 9 15.405 8.803 5.007
53 HB2 ARG 9 2HB ARG 9 14.252 11.318 6.099
54 HB3 ARG 9 3HB ARG 9 14.172 9.886 7.117
55 HG2 ARG 9 2HG ARG 9 16.709 10.929 5.882
56 HG3 ARG 9 3HG ARG 9 16.159 11.330 7.510
57 HD2 ARG 9 2HD ARG 9 16.314 8.460 6.760
58 HD3 ARG 9 3HD ARG 9 17.828 9.321 7.035
59 HE ARG 9 HE ARG 9 16.300 9.945 9.203
60 HH11 ARG 9 1HH1 ARG 9 17.337 6.975 7.711
61 HH12 ARG 9 2HH1 ARG 9 17.353 6.082 9.195
62 HH21 ARG 9 1HH2 ARG 9 16.319 8.780 11.164
63 HH22 ARG 9 2HH2 ARG 9 16.773 7.110 11.159
64 H CYS 10 H CYS 10 14.317 7.026 5.644
65 HA CYS 10 HA CYS 10 11.417 6.990 5.152
66 HB2 CYS 10 2HB CYS 10 13.506 4.816 5.061
67 HB3 CYS 10 3HB CYS 10 11.781 4.464 5.078
68 H SER 11 H SER 11 10.534 4.888 6.494
69 HA SER 11 HA SER 11 10.379 5.789 9.160
70 HB2 SER 11 2HB SER 11 8.585 4.499 8.039
71 HB3 SER 11 3HB SER 11 9.622 3.073 8.056
72 HG SER 11 HG SER 11 8.279 4.332 10.154
73 H GLY 12 H GLY 12 11.025 4.685 11.104
74 HA2 GLY 12 2HA GLY 12 13.740 3.995 11.161
75 HA3 GLY 12 3HA GLY 12 12.596 3.714 12.465
76 H GLY 13 H GLY 13 14.291 2.326 9.784
77 HA2 GLY 13 2HA GLY 13 14.798 -0.112 10.332
78 HA3 GLY 13 3HA GLY 13 13.050 -0.290 10.351
79 H LEU 14 H LEU 14 12.833 1.676 8.095
80 HA LEU 14 HA LEU 14 13.306 -0.267 5.967
81 HB2 LEU 14 2HB LEU 14 11.637 2.223 6.163
82 HB3 LEU 14 3HB LEU 14 11.926 1.406 4.628
83 HG LEU 14 HG LEU 14 10.679 0.021 6.992
84 HD11 LEU 14 1HD1 LEU 14 8.545 0.395 5.578
85 HD12 LEU 14 2HD1 LEU 14 9.436 1.756 4.898
86 HD13 LEU 14 3HD1 LEU 14 9.117 1.689 6.631
87 HD21 LEU 14 3HD2 LEU 14 11.713 -1.279 5.079
88 HD22 LEU 14 1HD2 LEU 14 10.445 -0.599 4.058
89 HD23 LEU 14 2HD2 LEU 14 10.018 -1.621 5.431
90 H CYS 15 H CYS 15 13.828 0.812 3.761
91 HA CYS 15 HA CYS 15 15.912 2.857 4.117
92 HB2 CYS 15 2HB CYS 15 16.122 0.257 2.597
93 HB3 CYS 15 3HB CYS 15 17.226 1.604 2.339
94 H CYS 16 H CYS 16 16.266 4.230 2.349
95 HA CYS 16 HA CYS 16 13.950 4.567 0.649
96 HB2 CYS 16 2HB CYS 16 15.334 6.418 1.842
97 HB3 CYS 16 3HB CYS 16 16.438 6.240 0.483
98 H SER 17 H SER 17 13.768 3.886 -1.380
99 HA SER 17 HA SER 17 15.976 2.509 -2.630
100 HB2 SER 17 2HB SER 17 14.408 1.665 -4.162
101 HB3 SER 17 3HB SER 17 13.482 1.821 -2.669
102 HG SER 17 HG SER 17 12.227 3.161 -3.669
103 H LYS 18 H LYS 18 16.331 2.894 -5.040
104 HA LYS 18 HA LYS 18 17.256 5.558 -5.389
105 HB2 LYS 18 2HB LYS 18 18.391 3.612 -6.380
106 HB3 LYS 18 3HB LYS 18 16.997 3.327 -7.414
107 HG2 LYS 18 2HG LYS 18 17.537 4.994 -8.836
108 HG3 LYS 18 3HG LYS 18 18.200 6.017 -7.560
109 HD2 LYS 18 2HD LYS 18 19.658 3.519 -8.248
110 HD3 LYS 18 3HD LYS 18 19.748 4.870 -9.380
111 HE2 LYS 18 2HE LYS 18 21.436 5.585 -8.094
112 HE3 LYS 18 3HE LYS 18 20.172 6.106 -6.981
113 HZ1 LYS 18 3HZ LYS 18 20.428 4.161 -5.701
114 HZ2 LYS 18 1HZ LYS 18 21.997 4.724 -5.993
115 HZ3 LYS 18 2HZ LYS 18 21.393 3.409 -6.869
116 H TYR 19 H TYR 19 14.222 4.199 -5.763
117 HA TYR 19 HA TYR 19 13.418 6.079 -7.863
118 HB2 TYR 19 2HB TYR 19 12.293 3.539 -6.788
119 HB3 TYR 19 3HB TYR 19 11.166 4.723 -7.440
120 HD1 TYR 19 HD2 TYR 19 11.174 5.274 -9.813
121 HD2 TYR 19 HD1 TYR 19 13.864 2.382 -8.229
122 HE1 TYR 19 HE2 TYR 19 11.650 4.478 -12.091
123 HE2 TYR 19 HE1 TYR 19 14.349 1.579 -10.502
124 HH TYR 19 HH TYR 19 13.039 1.613 -12.785
125 H GLY 20 H GLY 20 13.807 6.214 -4.668
126 HA2 GLY 20 2HA GLY 20 13.090 7.886 -3.216
127 HA3 GLY 20 3HA GLY 20 11.851 8.330 -4.380
128 H TYR 21 H TYR 21 11.851 5.017 -3.813
129 HA TYR 21 HA TYR 21 9.557 5.308 -1.995
130 HB2 TYR 21 2HB TYR 21 10.244 3.047 -3.884
131 HB3 TYR 21 3HB TYR 21 8.828 3.108 -2.841
132 HD1 TYR 21 HD2 TYR 21 7.810 5.786 -3.157
133 HD2 TYR 21 HD1 TYR 21 9.540 3.222 -6.079
134 HE1 TYR 21 HE2 TYR 21 6.558 6.959 -4.920
135 HE2 TYR 21 HE1 TYR 21 8.294 4.389 -7.850
136 HH TYR 21 HH TYR 21 7.201 6.474 -8.263
137 H CYS 22 H CYS 22 9.493 4.252 -0.079
138 HA CYS 22 HA CYS 22 11.962 3.247 0.977
139 HB2 CYS 22 2HB CYS 22 9.206 3.260 2.227
140 HB3 CYS 22 3HB CYS 22 10.728 2.993 3.071
141 H GLY 23 H GLY 23 12.212 1.153 2.009
142 HA2 GLY 23 2HA GLY 23 10.488 -1.004 1.799
143 HA3 GLY 23 3HA GLY 23 11.403 -0.972 0.299
144 H SER 24 H SER 24 12.253 -3.042 0.920
145 HA SER 24 HA SER 24 14.509 -2.780 2.789
146 HB2 SER 24 2HB SER 24 12.587 -4.069 3.797
147 HB3 SER 24 3HB SER 24 12.825 -5.279 2.536
148 HG SER 24 HG SER 24 14.596 -4.527 4.608
149 H GLY 25 H GLY 25 15.720 -5.169 2.490
150 HA2 GLY 25 2HA GLY 25 16.729 -6.639 0.959
151 HA3 GLY 25 3HA GLY 25 15.974 -5.752 -0.357
152 HA PRO 26 HA PRO 26 20.369 -4.473 0.093
153 HB2 PRO 26 2HB PRO 26 21.507 -5.740 -2.043
154 HB3 PRO 26 3HB PRO 26 21.575 -6.369 -0.409
155 HG2 PRO 26 2HG PRO 26 19.914 -7.281 -2.678
156 HG3 PRO 26 3HG PRO 26 20.314 -8.131 -1.199
157 HD2 PRO 26 2HD PRO 26 17.824 -6.852 -1.825
158 HD3 PRO 26 3HD PRO 26 18.264 -7.600 -0.303
159 H ALA 27 H ALA 27 18.148 -4.656 -2.398
160 HA ALA 27 HA ALA 27 19.400 -2.663 -4.056
161 HB1 ALA 27 1HB ALA 27 17.183 -2.742 -5.270
162 HB2 ALA 27 2HB ALA 27 18.085 -4.257 -5.200
163 HB3 ALA 27 3HB ALA 27 16.708 -4.000 -4.129
164 H TYR 28 H TYR 28 17.818 -2.500 -1.161
165 HA TYR 28 HA TYR 28 16.818 0.217 -1.717
166 HB2 TYR 28 2HB TYR 28 15.812 -1.901 0.172
167 HB3 TYR 28 3HB TYR 28 15.402 -0.203 0.389
168 HD1 TYR 28 HD1 TYR 28 15.497 -2.649 -2.446
169 HD2 TYR 28 HD2 TYR 28 13.336 0.403 -0.416
170 HE1 TYR 28 HE1 TYR 28 13.650 -2.898 -4.051
171 HE2 TYR 28 HE2 TYR 28 11.483 0.161 -2.015
172 HH TYR 28 HH TYR 28 11.689 -2.102 -4.740
173 H CYS 29 H CYS 29 18.495 -1.854 0.600
174 HA CYS 29 HA CYS 29 19.296 0.477 2.168
175 HB2 CYS 29 2HB CYS 29 19.585 -2.494 2.620
176 HB3 CYS 29 3HB CYS 29 20.336 -1.291 3.664
177 H GLY 30 H GLY 30 20.526 -1.739 -0.181
178 HA2 GLY 30 2HA GLY 30 22.471 -1.494 -1.438
179 HA3 GLY 30 3HA GLY 30 22.992 -0.226 -0.339
Start of MODEL 20
1 H1 ALA 1 H ALA 1 4.060 5.176 5.280
2 HA ALA 1 HA ALA 1 6.741 5.831 4.779
3 HB1 ALA 1 1HB ALA 1 5.417 3.697 6.413
4 HB2 ALA 1 2HB ALA 1 7.173 3.774 6.266
5 HB3 ALA 1 3HB ALA 1 6.286 5.135 6.952
6 H ALA 2 H ALA 2 4.905 2.883 4.005
7 HA ALA 2 HA ALA 2 7.040 1.520 2.761
8 HB1 ALA 2 1HB ALA 2 5.322 0.042 1.850
9 HB2 ALA 2 2HB ALA 2 5.042 0.372 3.560
10 HB3 ALA 2 3HB ALA 2 4.073 1.189 2.333
11 H GLY 3 H GLY 3 4.887 4.006 1.663
12 HA2 GLY 3 2HA GLY 3 5.327 3.532 -1.145
13 HA3 GLY 3 3HA GLY 3 4.516 4.919 -0.434
14 H GLN 4 H GLN 4 5.498 6.656 -1.255
15 HA GLN 4 HA GLN 4 8.262 6.727 -1.933
16 HB2 GLN 4 2HB GLN 4 6.750 8.115 -3.167
17 HB3 GLN 4 3HB GLN 4 6.171 8.891 -1.699
18 HG2 GLN 4 2HG GLN 4 8.181 10.082 -1.413
19 HG3 GLN 4 3HG GLN 4 9.023 9.095 -2.606
20 HE21 GLN 4 1HE2 GLN 4 9.056 11.841 -2.726
21 HE22 GLN 4 2HE2 GLN 4 8.162 12.367 -4.108
22 H CYS 5 H CYS 5 9.970 7.739 -0.917
23 HA CYS 5 HA CYS 5 9.932 7.761 1.916
24 HB2 CYS 5 2HB CYS 5 12.017 8.976 0.094
25 HB3 CYS 5 3HB CYS 5 12.237 8.486 1.771
26 H TYR 6 H TYR 6 11.069 9.802 3.001
27 HA TYR 6 HA TYR 6 9.665 12.227 2.109
28 HB2 TYR 6 2HB TYR 6 8.591 10.933 4.095
29 HB3 TYR 6 3HB TYR 6 9.931 11.586 5.031
30 HD1 TYR 6 HD1 TYR 6 7.095 12.596 2.846
31 HD2 TYR 6 HD2 TYR 6 9.819 13.754 5.902
32 HE1 TYR 6 HE1 TYR 6 5.849 14.693 3.153
33 HE2 TYR 6 HE2 TYR 6 8.580 15.855 6.218
34 HH TYR 6 HH TYR 6 6.734 17.218 4.227
35 H ARG 7 H ARG 7 11.114 13.747 1.699
36 HA ARG 7 HA ARG 7 13.072 14.922 1.685
37 HB2 ARG 7 2HB ARG 7 11.855 15.562 3.875
38 HB3 ARG 7 3HB ARG 7 13.086 14.592 4.673
39 HG2 ARG 7 2HG ARG 7 14.688 16.113 3.200
40 HG3 ARG 7 3HG ARG 7 13.313 17.213 3.317
41 HD2 ARG 7 2HD ARG 7 13.377 16.799 5.817
42 HD3 ARG 7 3HD ARG 7 14.935 16.019 5.551
43 HE ARG 7 HE ARG 7 14.977 18.558 4.360
44 HH11 ARG 7 1HH1 ARG 7 14.882 17.084 7.513
45 HH12 ARG 7 2HH1 ARG 7 15.697 18.398 8.295
46 HH21 ARG 7 1HH2 ARG 7 16.050 20.294 5.379
47 HH22 ARG 7 2HH2 ARG 7 16.360 20.224 7.080
48 H GLY 8 H GLY 8 13.370 12.067 1.415
49 HA2 GLY 8 2HA GLY 8 15.180 10.655 1.162
50 HA3 GLY 8 3HA GLY 8 16.193 11.892 1.891
51 H ARG 9 H ARG 9 13.327 10.485 3.370
52 HA ARG 9 HA ARG 9 14.971 8.855 5.144
53 HB2 ARG 9 2HB ARG 9 13.230 11.142 6.046
54 HB3 ARG 9 3HB ARG 9 13.659 9.818 7.120
55 HG2 ARG 9 2HG ARG 9 16.096 10.398 6.422
56 HG3 ARG 9 3HG ARG 9 15.391 11.946 5.952
57 HD2 ARG 9 2HD ARG 9 15.692 12.547 8.083
58 HD3 ARG 9 3HD ARG 9 14.307 11.514 8.437
59 HE ARG 9 HE ARG 9 15.723 10.094 9.516
60 HH11 ARG 9 1HH1 ARG 9 17.582 12.044 7.312
61 HH12 ARG 9 2HH1 ARG 9 19.108 11.414 7.836
62 HH21 ARG 9 1HH2 ARG 9 17.726 9.256 10.215
63 HH22 ARG 9 2HH2 ARG 9 19.189 9.827 9.487
64 H CYS 10 H CYS 10 13.988 7.010 5.756
65 HA CYS 10 HA CYS 10 11.157 6.690 5.007
66 HB2 CYS 10 2HB CYS 10 13.442 4.721 5.037
67 HB3 CYS 10 3HB CYS 10 11.760 4.211 4.934
68 H SER 11 H SER 11 10.400 4.489 6.272
69 HA SER 11 HA SER 11 9.981 5.335 8.927
70 HB2 SER 11 2HB SER 11 8.264 3.977 8.195
71 HB3 SER 11 3HB SER 11 9.354 2.867 7.364
72 HG SER 11 HG SER 11 9.429 1.701 9.102
73 H GLY 12 H GLY 12 10.560 4.183 10.898
74 HA2 GLY 12 2HA GLY 12 13.336 3.802 11.141
75 HA3 GLY 12 3HA GLY 12 12.139 3.381 12.357
76 H GLY 13 H GLY 13 14.112 2.227 9.744
77 HA2 GLY 13 2HA GLY 13 14.880 -0.133 10.235
78 HA3 GLY 13 3HA GLY 13 13.165 -0.519 10.275
79 H LEU 14 H LEU 14 12.859 1.539 8.016
80 HA LEU 14 HA LEU 14 13.365 -0.385 5.878
81 HB2 LEU 14 2HB LEU 14 11.662 2.078 6.095
82 HB3 LEU 14 3HB LEU 14 11.979 1.300 4.546
83 HG LEU 14 HG LEU 14 10.592 0.028 6.906
84 HD11 LEU 14 1HD1 LEU 14 8.739 0.980 6.155
85 HD12 LEU 14 2HD1 LEU 14 8.959 0.158 4.610
86 HD13 LEU 14 3HD1 LEU 14 9.638 1.767 4.857
87 HD21 LEU 14 3HD2 LEU 14 10.037 -1.715 5.158
88 HD22 LEU 14 1HD2 LEU 14 11.706 -1.689 5.728
89 HD23 LEU 14 2HD2 LEU 14 11.298 -0.985 4.163
90 H CYS 15 H CYS 15 13.871 0.731 3.677
91 HA CYS 15 HA CYS 15 15.901 2.823 4.039
92 HB2 CYS 15 2HB CYS 15 16.266 0.248 2.493
93 HB3 CYS 15 3HB CYS 15 17.380 1.611 2.439
94 H CYS 16 H CYS 16 16.160 4.227 2.318
95 HA CYS 16 HA CYS 16 13.918 4.389 0.515
96 HB2 CYS 16 2HB CYS 16 15.206 6.324 1.713
97 HB3 CYS 16 3HB CYS 16 16.317 6.184 0.355
98 H SER 17 H SER 17 13.833 3.664 -1.505
99 HA SER 17 HA SER 17 16.142 2.367 -2.657
100 HB2 SER 17 2HB SER 17 14.663 1.426 -4.223
101 HB3 SER 17 3HB SER 17 13.689 1.557 -2.759
102 HG SER 17 HG SER 17 12.399 2.820 -3.812
103 H LYS 18 H LYS 18 16.540 2.720 -5.070
104 HA LYS 18 HA LYS 18 17.364 5.413 -5.445
105 HB2 LYS 18 2HB LYS 18 18.330 3.162 -6.400
106 HB3 LYS 18 3HB LYS 18 17.202 3.467 -7.714
107 HG2 LYS 18 2HG LYS 18 18.398 5.203 -8.523
108 HG3 LYS 18 3HG LYS 18 18.934 5.723 -6.924
109 HD2 LYS 18 2HD LYS 18 20.865 4.640 -7.155
110 HD3 LYS 18 3HD LYS 18 20.030 3.139 -7.563
111 HE2 LYS 18 2HE LYS 18 21.164 3.459 -9.510
112 HE3 LYS 18 3HE LYS 18 19.713 4.390 -9.880
113 HZ1 LYS 18 3HZ LYS 18 22.206 5.557 -8.769
114 HZ2 LYS 18 1HZ LYS 18 20.841 6.401 -9.303
115 HZ3 LYS 18 2HZ LYS 18 21.802 5.561 -10.412
116 H TYR 19 H TYR 19 14.399 3.922 -5.871
117 HA TYR 19 HA TYR 19 13.573 5.728 -8.026
118 HB2 TYR 19 2HB TYR 19 12.530 3.163 -6.931
119 HB3 TYR 19 3HB TYR 19 11.366 4.288 -7.621
120 HD1 TYR 19 HD1 TYR 19 12.148 5.286 -9.987
121 HD2 TYR 19 HD2 TYR 19 13.416 1.573 -8.342
122 HE1 TYR 19 HE1 TYR 19 12.701 4.481 -12.245
123 HE2 TYR 19 HE2 TYR 19 13.974 0.759 -10.594
124 HH TYR 19 HH TYR 19 13.978 1.206 -12.765
125 H GLY 20 H GLY 20 13.862 5.917 -4.815
126 HA2 GLY 20 2HA GLY 20 13.048 7.598 -3.420
127 HA3 GLY 20 3HA GLY 20 11.817 7.963 -4.621
128 H TYR 21 H TYR 21 11.958 4.665 -3.973
129 HA TYR 21 HA TYR 21 9.616 4.894 -2.206
130 HB2 TYR 21 2HB TYR 21 10.422 2.639 -4.056
131 HB3 TYR 21 3HB TYR 21 8.992 2.649 -3.029
132 HD1 TYR 21 HD1 TYR 21 7.620 5.025 -3.367
133 HD2 TYR 21 HD2 TYR 21 9.975 3.007 -6.280
134 HE1 TYR 21 HE1 TYR 21 6.337 6.123 -5.156
135 HE2 TYR 21 HE2 TYR 21 8.699 4.100 -8.077
136 HH TYR 21 HH TYR 21 7.234 6.522 -8.083
137 H CYS 22 H CYS 22 9.589 3.916 -0.258
138 HA CYS 22 HA CYS 22 12.076 2.979 0.823
139 HB2 CYS 22 2HB CYS 22 9.326 2.984 2.085
140 HB3 CYS 22 3HB CYS 22 10.859 2.786 2.928
141 H GLY 23 H GLY 23 12.369 0.922 1.901
142 HA2 GLY 23 2HA GLY 23 10.660 -1.262 1.755
143 HA3 GLY 23 3HA GLY 23 11.595 -1.266 0.267
144 H SER 24 H SER 24 12.495 -3.286 0.928
145 HA SER 24 HA SER 24 14.689 -2.949 2.859
146 HB2 SER 24 2HB SER 24 12.771 -4.291 3.810
147 HB3 SER 24 3HB SER 24 13.090 -5.499 2.565
148 HG SER 24 HG SER 24 14.200 -5.423 4.873
149 H GLY 25 H GLY 25 15.978 -5.303 2.608
150 HA2 GLY 25 2HA GLY 25 17.089 -6.741 1.125
151 HA3 GLY 25 3HA GLY 25 16.330 -5.905 -0.221
152 HA PRO 26 HA PRO 26 20.658 -4.442 0.308
153 HB2 PRO 26 2HB PRO 26 21.896 -5.693 -1.783
154 HB3 PRO 26 3HB PRO 26 21.950 -6.295 -0.138
155 HG2 PRO 26 2HG PRO 26 20.381 -7.306 -2.430
156 HG3 PRO 26 3HG PRO 26 20.780 -8.118 -0.929
157 HD2 PRO 26 2HD PRO 26 18.256 -6.949 -1.630
158 HD3 PRO 26 3HD PRO 26 18.690 -7.658 -0.087
159 H ALA 27 H ALA 27 18.497 -4.743 -2.221
160 HA ALA 27 HA ALA 27 19.707 -2.737 -3.891
161 HB1 ALA 27 1HB ALA 27 17.693 -2.957 -5.257
162 HB2 ALA 27 2HB ALA 27 18.384 -4.535 -4.873
163 HB3 ALA 27 3HB ALA 27 16.955 -3.964 -4.011
164 H TYR 28 H TYR 28 18.066 -2.582 -1.025
165 HA TYR 28 HA TYR 28 17.003 0.098 -1.637
166 HB2 TYR 28 2HB TYR 28 16.011 -2.022 0.257
167 HB3 TYR 28 3HB TYR 28 15.547 -0.334 0.436
168 HD1 TYR 28 HD1 TYR 28 15.779 -2.825 -2.351
169 HD2 TYR 28 HD2 TYR 28 13.489 0.206 -0.434
170 HE1 TYR 28 HE1 TYR 28 13.980 -3.151 -3.997
171 HE2 TYR 28 HE2 TYR 28 11.684 -0.112 -2.074
172 HH TYR 28 HH TYR 28 10.925 -1.375 -3.755
173 H CYS 29 H CYS 29 18.680 -1.900 0.743
174 HA CYS 29 HA CYS 29 19.375 0.467 2.307
175 HB2 CYS 29 2HB CYS 29 19.794 -2.486 2.791
176 HB3 CYS 29 3HB CYS 29 20.414 -1.230 3.858
177 H GLY 30 H GLY 30 20.727 -1.723 0.001
178 HA2 GLY 30 2HA GLY 30 22.691 -1.425 -1.216
179 HA3 GLY 30 3HA GLY 30 23.144 -0.129 -0.118
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