Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22064 | 2j5h RC | 7299 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H LYS 1 H LYS 1 13.620 11.376 -9.923
2 HA LYS 1 HA LYS 1 13.809 13.467 -7.856
3 1HB LYS 1 2HB LYS 1 12.699 13.364 -10.688
4 2HB LYS 1 3HB LYS 1 12.297 14.681 -9.594
5 1HG LYS 1 2HG LYS 1 14.084 15.389 -10.975
6 2HG LYS 1 3HG LYS 1 14.644 15.280 -9.307
7 1HD LYS 1 2HD LYS 1 15.838 13.203 -9.785
8 2HD LYS 1 3HD LYS 1 15.191 13.151 -11.432
9 1HE LYS 1 2HE LYS 1 16.963 15.366 -10.299
10 2HE LYS 1 3HE LYS 1 17.564 13.988 -11.229
11 1HZ LYS 1 2HZ LYS 1 15.662 16.007 -12.235
12 2HZ LYS 1 3HZ LYS 1 17.260 15.922 -12.613
13 3HZ LYS 1 1HZ LYS 1 16.240 14.726 -13.093
14 H GLU 2 H GLU 2 12.758 11.921 -6.323
15 HA GLU 2 HA GLU 2 9.841 12.395 -6.266
16 1HB GLU 2 2HB GLU 2 9.354 10.052 -5.829
17 2HB GLU 2 3HB GLU 2 10.181 10.215 -7.373
18 1HG GLU 2 2HG GLU 2 12.364 9.654 -5.983
19 2HG GLU 2 3HG GLU 2 11.228 9.066 -4.767
20 HE2 GLU 2 2HE GLU 2 10.523 6.224 -6.662
21 H HIS 3 H HIS 3 8.950 12.111 -4.173
22 HA HIS 3 HA HIS 3 10.783 11.881 -1.832
23 1HB HIS 3 2HB HIS 3 8.674 14.051 -2.205
24 2HB HIS 3 3HB HIS 3 9.648 13.783 -0.767
25 H CYS 4 H CYS 4 8.772 10.027 -3.268
26 HA CYS 4 HA CYS 4 8.048 8.727 -0.960
27 1HB CYS 4 2HB CYS 4 5.688 8.991 -0.938
28 2HB CYS 4 3HB CYS 4 6.368 10.532 -0.602
29 H GLY 5 H GLY 5 6.098 7.148 -1.595
30 1HA GLY 5 3HA GLY 5 5.577 5.278 -2.790
31 2HA GLY 5 2HA GLY 5 6.778 5.708 -4.022
32 H SER 6 H SER 6 3.488 5.256 -3.685
33 HA SER 6 HA SER 6 2.485 7.102 -5.583
34 1HB SER 6 2HB SER 6 2.709 5.704 -7.620
35 2HB SER 6 3HB SER 6 4.265 6.292 -7.039
36 HG SER 6 HG SER 6 4.339 4.073 -7.571
37 H ILE 7 H ILE 7 1.230 4.449 -6.988
38 HA ILE 7 HA ILE 7 -0.614 3.708 -4.878
39 HB ILE 7 HB ILE 7 -1.387 4.621 -7.673
40 1HD1 ILE 7 1HD ILE 7 -2.820 6.250 -4.475
41 2HD1 ILE 7 2HD ILE 7 -1.150 5.793 -4.157
42 3HD1 ILE 7 3HD ILE 7 -1.520 7.478 -4.541
43 H LEU 8 H LEU 8 -1.632 1.658 -5.610
44 HA LEU 8 HA LEU 8 -0.476 0.243 -7.852
45 1HB LEU 8 2HB LEU 8 1.291 0.246 -6.161
46 2HB LEU 8 3HB LEU 8 0.244 -0.558 -5.002
47 HG LEU 8 HG LEU 8 0.468 -2.141 -7.453
48 H HIS 9 H HIS 9 -1.102 -2.237 -7.001
49 HA HIS 9 HA HIS 9 -3.462 -3.087 -5.997
50 1HB HIS 9 2HB HIS 9 -4.888 -3.263 -8.091
51 2HB HIS 9 3HB HIS 9 -4.925 -1.787 -7.150
52 H GLY 10 H GLY 10 -1.587 -4.345 -5.698
53 1HA GLY 10 3HA GLY 10 -0.323 -6.242 -6.013
54 2HA GLY 10 2HA GLY 10 -0.552 -6.133 -7.775
55 H THR 11 H THR 11 -2.655 -6.569 -8.588
56 HA THR 11 HA THR 11 -4.118 -8.790 -7.303
57 HB THR 11 HB THR 11 -6.027 -6.931 -8.412
58 H TRP 12 H TRP 12 -4.156 -6.497 -10.011
59 HA TRP 12 HA TRP 12 -4.877 -6.505 -12.059
60 1HB TRP 12 2HB TRP 12 -4.084 -8.528 -13.596
61 2HB TRP 12 3HB TRP 12 -2.980 -7.336 -12.978
62 H LEU 13 H LEU 13 -5.980 -7.651 -13.903
63 HA LEU 13 HA LEU 13 -8.024 -8.186 -14.664
64 1HB LEU 13 2HB LEU 13 -8.182 -10.216 -12.419
65 2HB LEU 13 3HB LEU 13 -8.943 -10.306 -14.027
66 HG LEU 13 HG LEU 13 -6.000 -10.526 -13.468
67 HA PRO 14 HA PRO 14 -10.843 -5.730 -12.375
68 1HB PRO 14 2HB PRO 14 -13.340 -6.748 -12.107
69 2HB PRO 14 3HB PRO 14 -12.594 -6.448 -13.702
70 1HG PRO 14 2HG PRO 14 -12.740 -9.073 -12.191
71 2HG PRO 14 3HG PRO 14 -13.146 -8.758 -13.908
72 1HD PRO 14 2HD PRO 14 -10.733 -9.737 -13.066
73 2HD PRO 14 3HD PRO 14 -10.881 -8.703 -14.526
74 H LYS 15 H LYS 15 -9.192 -6.186 -10.510
75 HA LYS 15 HA LYS 15 -10.768 -6.786 -8.040
76 1HB LYS 15 2HB LYS 15 -7.966 -7.755 -8.664
77 2HB LYS 15 3HB LYS 15 -8.848 -7.999 -7.140
78 1HG LYS 15 2HG LYS 15 -10.452 -9.459 -8.269
79 2HG LYS 15 3HG LYS 15 -9.645 -9.177 -9.828
80 1HD LYS 15 2HD LYS 15 -7.554 -10.172 -8.962
81 2HD LYS 15 3HD LYS 15 -8.315 -10.426 -7.387
82 1HE LYS 15 2HE LYS 15 -8.282 -12.506 -8.650
83 2HE LYS 15 3HE LYS 15 -9.948 -11.972 -8.378
84 1HZ LYS 15 2HZ LYS 15 -8.418 -11.559 -10.864
85 2HZ LYS 15 3HZ LYS 15 -9.567 -12.726 -10.644
86 3HZ LYS 15 1HZ LYS 15 -9.988 -11.133 -10.616
87 H LYS 16 H LYS 16 -10.027 -5.835 -6.137
88 HA LYS 16 HA LYS 16 -8.318 -3.437 -6.460
89 1HB LYS 16 2HB LYS 16 -9.981 -2.044 -5.378
90 2HB LYS 16 3HB LYS 16 -10.569 -2.696 -6.893
91 1HG LYS 16 2HG LYS 16 -12.424 -3.436 -5.883
92 2HG LYS 16 3HG LYS 16 -11.469 -4.531 -4.890
93 1HD LYS 16 2HD LYS 16 -11.094 -2.566 -3.281
94 2HD LYS 16 3HD LYS 16 -12.284 -1.667 -4.238
95 1HE LYS 16 2HE LYS 16 -13.982 -3.399 -3.773
96 2HE LYS 16 3HE LYS 16 -12.777 -4.373 -2.913
97 1HZ LYS 16 1HZ LYS 16 -12.578 -2.608 -1.295
98 2HZ LYS 16 2HZ LYS 16 -13.696 -1.693 -2.084
99 3HZ LYS 16 3HZ LYS 16 -14.139 -3.117 -1.390
100 H CYS 17 H CYS 17 -6.795 -4.895 -5.382
101 HA CYS 17 HA CYS 17 -6.999 -4.761 -2.471
102 1HB CYS 17 2HB CYS 17 -6.116 -7.394 -3.562
103 2HB CYS 17 3HB CYS 17 -6.900 -7.036 -2.050
104 H SER 18 H SER 18 -4.855 -4.488 -1.624
105 HA SER 18 HA SER 18 -2.584 -4.348 -1.557
106 1HB SER 18 2HB SER 18 -2.453 -4.934 -4.455
107 2HB SER 18 3HB SER 18 -1.096 -4.844 -3.339
108 HG SER 18 HG SER 18 -2.410 -6.972 -4.039
109 H LEU 19 H LEU 19 -1.250 -2.443 -1.672
110 HA LEU 19 HA LEU 19 -2.006 -0.328 -3.494
111 1HB LEU 19 2HB LEU 19 -3.501 -0.645 -1.121
112 2HB LEU 19 3HB LEU 19 -2.293 0.490 -0.620
113 HG LEU 19 HG LEU 19 -4.328 1.588 -1.297
114 H CYS 20 H CYS 20 -0.933 1.731 -1.873
115 HA CYS 20 HA CYS 20 1.707 1.125 -0.907
116 1HB CYS 20 2HB CYS 20 1.237 3.081 -3.161
117 2HB CYS 20 3HB CYS 20 2.775 2.878 -2.353
118 H ARG 21 H ARG 21 2.553 3.590 -0.600
119 HA ARG 21 HA ARG 21 0.396 5.425 -0.042
120 1HB ARG 21 2HB ARG 21 2.452 4.911 2.175
121 2HB ARG 21 3HB ARG 21 1.406 6.310 2.079
122 1HG ARG 21 2HG ARG 21 -0.604 4.864 2.201
123 2HG ARG 21 3HG ARG 21 0.447 3.457 2.465
124 1HD ARG 21 2HD ARG 21 1.352 4.467 4.516
125 2HD ARG 21 3HD ARG 21 0.509 5.976 4.188
126 HE ARG 21 HE ARG 21 -1.452 5.146 4.962
127 H CYS 22 H CYS 22 1.616 7.629 0.527
128 HA CYS 22 HA CYS 22 4.176 7.737 -0.885
129 1HB CYS 22 2HB CYS 22 2.859 8.746 -2.493
130 2HB CYS 22 3HB CYS 22 1.731 9.417 -1.307
131 H TRP 23 H TRP 23 5.426 7.785 1.100
132 HA TRP 23 HA TRP 23 4.986 10.218 2.730
133 1HB TRP 23 2HB TRP 23 4.887 7.468 3.582
134 2HB TRP 23 3HB TRP 23 6.360 8.163 4.219
135 H HIS 24 H HIS 24 7.053 10.986 3.628
136 HA HIS 24 HA HIS 24 8.986 11.407 1.619
137 1HB HIS 24 2HB HIS 24 8.253 12.753 3.784
138 2HB HIS 24 3HB HIS 24 9.572 11.872 4.544
139 H GLY 25 H GLY 25 8.867 8.679 3.643
140 1HA GLY 25 3HA GLY 25 11.675 8.121 3.904
141 2HA GLY 25 2HA GLY 25 11.002 7.359 2.452
142 H GLN 26 H GLN 26 8.261 6.774 3.538
143 HA GLN 26 HA GLN 26 8.939 4.642 5.408
144 1HB GLN 26 2HB GLN 26 8.511 6.765 6.766
145 2HB GLN 26 3HB GLN 26 6.874 6.792 6.103
146 1HG GLN 26 2HG GLN 26 6.436 4.568 7.121
147 2HG GLN 26 3HG GLN 26 8.087 4.533 7.761
148 H LEU 27 H LEU 27 7.597 2.949 4.933
149 HA LEU 27 HA LEU 27 6.225 1.630 3.777
150 1HB LEU 27 2HB LEU 27 4.589 2.948 5.146
151 2HB LEU 27 3HB LEU 27 4.292 3.972 3.755
152 HG LEU 27 HG LEU 27 2.546 2.339 4.069
153 H HIS 28 H HIS 28 7.226 1.144 1.879
154 HA HIS 28 HA HIS 28 6.994 2.906 -0.465
155 1HB HIS 28 2HB HIS 28 8.117 0.100 -0.097
156 2HB HIS 28 3HB HIS 28 7.904 0.841 -1.679
157 H CYS 29 H CYS 29 6.057 -0.575 -0.511
158 HA CYS 29 HA CYS 29 3.309 0.113 -1.298
159 1HB CYS 29 2HB CYS 29 5.392 -1.192 -3.051
160 2HB CYS 29 3HB CYS 29 3.658 -1.377 -3.313
161 H LEU 30 H LEU 30 2.019 -1.237 -0.164
162 HA LEU 30 HA LEU 30 2.566 -4.037 0.136
163 1HB LEU 30 2HB LEU 30 2.590 -2.063 2.460
164 2HB LEU 30 3HB LEU 30 2.120 -3.741 2.698
165 HG LEU 30 HG LEU 30 4.845 -2.767 1.780
166 HA PRO 31 HA PRO 31 -1.949 -3.655 0.328
167 1HB PRO 31 2HB PRO 31 -2.669 -6.050 1.503
168 2HB PRO 31 3HB PRO 31 -2.141 -5.912 -0.193
169 1HG PRO 31 2HG PRO 31 -0.515 -6.789 2.177
170 2HG PRO 31 3HG PRO 31 -0.537 -7.447 0.511
171 1HD PRO 31 2HD PRO 31 1.385 -5.706 1.450
172 2HD PRO 31 3HD PRO 31 0.888 -5.784 -0.267
173 H GLN 32 H GLN 32 -1.072 -5.418 3.280
174 HA GLN 32 HA GLN 32 -1.091 -4.888 5.515
175 1HB GLN 32 2HB GLN 32 0.129 -2.826 4.904
176 2HB GLN 32 3HB GLN 32 -1.400 -1.964 4.728
177 1HG GLN 32 2HG GLN 32 -1.909 -2.304 7.110
178 2HG GLN 32 3HG GLN 32 -0.429 -3.250 7.305
179 H THR 33 H THR 33 -3.006 -6.210 5.132
180 HA THR 33 HA THR 33 -5.117 -6.811 5.141
181 HB THR 33 HB THR 33 -4.314 -5.913 7.511
182 H PHE 34 H PHE 34 -4.598 -4.420 3.370
183 HA PHE 34 HA PHE 34 -6.578 -2.623 3.178
184 1HB PHE 34 2HB PHE 34 -4.606 -2.758 1.757
185 2HB PHE 34 3HB PHE 34 -5.236 -4.153 0.911
186 HZ PHE 34 HZ PHE 34 -8.004 0.134 -2.035
187 H LEU 35 H LEU 35 -6.970 -6.026 2.116
188 HA LEU 35 HA LEU 35 -9.819 -5.684 2.420
189 1HB LEU 35 2HB LEU 35 -9.404 -5.099 -0.014
190 2HB LEU 35 3HB LEU 35 -8.798 -6.733 -0.250
191 HG LEU 35 HG LEU 35 -11.081 -7.571 0.601
192 HA PRO 36 HA PRO 36 -8.099 -9.661 3.972
193 1HB PRO 36 2HB PRO 36 -9.731 -10.057 6.124
194 2HB PRO 36 3HB PRO 36 -8.398 -8.868 6.117
195 1HG PRO 36 2HG PRO 36 -11.332 -8.338 5.499
196 2HG PRO 36 3HG PRO 36 -10.285 -7.492 6.690
197 1HD PRO 36 2HD PRO 36 -10.630 -6.460 4.230
198 2HD PRO 36 3HD PRO 36 -9.018 -6.466 4.990
199 H GLY 37 H GLY 37 -9.091 -10.061 1.782
200 1HA GLY 37 3HA GLY 37 -11.524 -11.245 1.217
201 2HA GLY 37 2HA GLY 37 -10.560 -12.570 1.899
202 H CYS 38 H CYS 38 -8.099 -10.898 0.584
203 HA CYS 38 HA CYS 38 -8.162 -11.962 -2.099
204 1HB CYS 38 2HB CYS 38 -9.893 -10.185 -2.207
205 2HB CYS 38 3HB CYS 38 -8.744 -9.044 -1.507
206 H ASP 39 H ASP 39 -6.255 -12.636 -0.805
207 HA ASP 39 HA ASP 39 -4.068 -12.608 -0.231
208 1HB ASP 39 2HB ASP 39 -3.781 -10.180 -2.052
209 2HB ASP 39 3HB ASP 39 -2.468 -11.151 -1.390
No H/Q in entry = 209
Start of MODEL 2
1 H LYS 1 H LYS 1 14.804 11.521 -8.777
2 HA LYS 1 HA LYS 1 14.943 10.265 -6.214
3 1HB LYS 1 2HB LYS 1 15.537 12.544 -5.412
4 2HB LYS 1 3HB LYS 1 16.491 11.941 -6.743
5 1HG LYS 1 2HG LYS 1 16.162 14.240 -7.098
6 2HG LYS 1 3HG LYS 1 15.241 13.401 -8.336
7 1HD LYS 1 2HD LYS 1 13.146 13.869 -7.168
8 2HD LYS 1 3HD LYS 1 14.012 14.556 -5.786
9 1HE LYS 1 2HE LYS 1 14.072 15.666 -8.631
10 2HE LYS 1 3HE LYS 1 12.989 16.236 -7.355
11 1HZ LYS 1 1HZ LYS 1 14.916 16.876 -6.068
12 2HZ LYS 1 2HZ LYS 1 15.938 16.352 -7.254
13 3HZ LYS 1 3HZ LYS 1 14.928 17.620 -7.534
14 H GLU 2 H GLU 2 12.357 9.900 -7.169
15 HA GLU 2 HA GLU 2 10.392 11.743 -6.789
16 1HB GLU 2 2HB GLU 2 10.286 9.492 -7.919
17 2HB GLU 2 3HB GLU 2 10.157 8.745 -6.333
18 1HG GLU 2 2HG GLU 2 8.065 10.388 -6.081
19 2HG GLU 2 3HG GLU 2 8.160 10.457 -7.835
20 HE2 GLU 2 2HE GLU 2 7.057 7.026 -5.984
21 H HIS 3 H HIS 3 10.961 9.155 -4.344
22 HA HIS 3 HA HIS 3 10.105 8.882 -2.241
23 1HB HIS 3 2HB HIS 3 11.123 11.697 -1.746
24 2HB HIS 3 3HB HIS 3 10.901 10.423 -0.561
25 H CYS 4 H CYS 4 8.081 9.942 -4.199
26 HA CYS 4 HA CYS 4 6.110 9.737 -2.129
27 1HB CYS 4 2HB CYS 4 6.554 12.249 -2.300
28 2HB CYS 4 3HB CYS 4 5.926 12.175 -3.938
29 H GLY 5 H GLY 5 5.439 7.817 -3.151
30 1HA GLY 5 3HA GLY 5 4.279 8.108 -5.894
31 2HA GLY 5 2HA GLY 5 3.346 7.523 -4.516
32 H SER 6 H SER 6 3.388 5.322 -4.086
33 HA SER 6 HA SER 6 5.094 3.679 -5.929
34 1HB SER 6 2HB SER 6 4.612 3.309 -2.965
35 2HB SER 6 3HB SER 6 5.484 2.164 -4.020
36 HG SER 6 HG SER 6 6.797 4.125 -4.537
37 H ILE 7 H ILE 7 2.312 4.519 -6.018
38 HA ILE 7 HA ILE 7 0.343 2.785 -5.194
39 HB ILE 7 HB ILE 7 0.371 4.204 -7.857
40 1HD1 ILE 7 2HD ILE 7 0.492 5.002 -4.145
41 2HD1 ILE 7 1HD ILE 7 -1.220 5.310 -4.522
42 3HD1 ILE 7 3HD ILE 7 -0.081 6.659 -4.379
43 H LEU 8 H LEU 8 -0.880 1.129 -6.260
44 HA LEU 8 HA LEU 8 0.522 -0.563 -8.198
45 1HB LEU 8 2HB LEU 8 1.423 -0.698 -5.657
46 2HB LEU 8 3HB LEU 8 0.020 -1.753 -5.487
47 HG LEU 8 HG LEU 8 1.010 -3.110 -7.443
48 H HIS 9 H HIS 9 -0.703 -2.876 -7.424
49 HA HIS 9 HA HIS 9 -3.279 -3.580 -7.792
50 1HB HIS 9 2HB HIS 9 -3.890 -3.015 -10.141
51 2HB HIS 9 3HB HIS 9 -3.905 -1.661 -9.033
52 H GLY 10 H GLY 10 -1.299 -5.254 -7.269
53 1HA GLY 10 3HA GLY 10 0.079 -6.919 -7.972
54 2HA GLY 10 2HA GLY 10 0.098 -6.271 -9.617
55 H THR 11 H THR 11 -2.820 -6.254 -10.026
56 HA THR 11 HA THR 11 -3.711 -9.046 -9.670
57 HB THR 11 HB THR 11 -4.894 -6.571 -8.299
58 H TRP 12 H TRP 12 -5.739 -9.413 -10.752
59 HA TRP 12 HA TRP 12 -6.146 -7.727 -13.102
60 1HB TRP 12 2HB TRP 12 -7.626 -9.711 -13.731
61 2HB TRP 12 3HB TRP 12 -5.959 -10.153 -13.408
62 H LEU 13 H LEU 13 -8.413 -7.547 -13.836
63 HA LEU 13 HA LEU 13 -10.005 -6.001 -13.814
64 1HB LEU 13 2HB LEU 13 -10.646 -7.458 -11.363
65 2HB LEU 13 3HB LEU 13 -10.916 -5.750 -11.126
66 HG LEU 13 HG LEU 13 -12.305 -5.739 -13.256
67 HA PRO 14 HA PRO 14 -7.744 -2.465 -12.665
68 1HB PRO 14 2HB PRO 14 -9.432 -0.396 -12.142
69 2HB PRO 14 3HB PRO 14 -9.329 -1.178 -13.746
70 1HG PRO 14 2HG PRO 14 -11.358 -1.709 -11.555
71 2HG PRO 14 3HG PRO 14 -11.657 -1.422 -13.299
72 1HD PRO 14 2HD PRO 14 -11.526 -3.912 -12.193
73 2HD PRO 14 3HD PRO 14 -10.968 -3.599 -13.866
74 H LYS 15 H LYS 15 -7.027 -3.855 -10.767
75 HA LYS 15 HA LYS 15 -6.152 -3.836 -8.652
76 1HB LYS 15 2HB LYS 15 -8.153 -1.812 -7.639
77 2HB LYS 15 3HB LYS 15 -6.667 -2.326 -6.893
78 1HG LYS 15 2HG LYS 15 -5.508 -0.648 -7.750
79 2HG LYS 15 3HG LYS 15 -6.004 -1.029 -9.398
80 1HD LYS 15 2HD LYS 15 -6.547 1.273 -8.757
81 2HD LYS 15 3HD LYS 15 -7.975 0.350 -9.213
82 1HE LYS 15 2HE LYS 15 -8.485 -0.010 -6.782
83 2HE LYS 15 3HE LYS 15 -7.088 0.991 -6.366
84 1HZ LYS 15 2HZ LYS 15 -9.444 1.865 -7.916
85 2HZ LYS 15 3HZ LYS 15 -9.144 2.242 -6.344
86 3HZ LYS 15 1HZ LYS 15 -8.160 2.821 -7.529
87 H LYS 16 H LYS 16 -7.180 -4.239 -6.453
88 HA LYS 16 HA LYS 16 -9.693 -5.080 -5.813
89 1HB LYS 16 2HB LYS 16 -8.358 -7.081 -7.554
90 2HB LYS 16 3HB LYS 16 -8.790 -7.744 -5.980
91 1HG LYS 16 2HG LYS 16 -11.112 -7.169 -6.268
92 2HG LYS 16 3HG LYS 16 -10.775 -6.273 -7.756
93 1HD LYS 16 2HD LYS 16 -9.911 -8.383 -8.806
94 2HD LYS 16 3HD LYS 16 -10.400 -9.280 -7.362
95 1HE LYS 16 2HE LYS 16 -12.228 -7.641 -9.176
96 2HE LYS 16 3HE LYS 16 -12.046 -9.400 -9.236
97 1HZ LYS 16 2HZ LYS 16 -13.073 -7.877 -6.929
98 2HZ LYS 16 3HZ LYS 16 -13.987 -8.754 -7.978
99 3HZ LYS 16 1HZ LYS 16 -12.908 -9.512 -6.993
100 H CYS 17 H CYS 17 -6.221 -5.957 -5.801
101 HA CYS 17 HA CYS 17 -6.046 -5.899 -2.876
102 1HB CYS 17 2HB CYS 17 -5.521 -8.440 -4.500
103 2HB CYS 17 3HB CYS 17 -5.166 -8.212 -2.790
104 H SER 18 H SER 18 -4.302 -4.585 -2.876
105 HA SER 18 HA SER 18 -1.773 -4.457 -3.228
106 1HB SER 18 2HB SER 18 -2.613 -4.489 -6.078
107 2HB SER 18 3HB SER 18 -1.036 -3.962 -5.445
108 HG SER 18 HG SER 18 -2.220 -6.511 -5.261
109 H LEU 19 H LEU 19 -1.729 -2.320 -2.411
110 HA LEU 19 HA LEU 19 -2.151 -0.313 -4.374
111 1HB LEU 19 2HB LEU 19 -4.350 -0.794 -2.676
112 2HB LEU 19 3HB LEU 19 -3.487 0.403 -1.757
113 HG LEU 19 HG LEU 19 -5.295 1.329 -3.095
114 H CYS 20 H CYS 20 -1.510 1.931 -2.941
115 HA CYS 20 HA CYS 20 0.327 1.590 -0.811
116 1HB CYS 20 2HB CYS 20 1.592 0.741 -2.988
117 2HB CYS 20 3HB CYS 20 1.676 2.467 -3.326
118 H ARG 21 H ARG 21 1.777 3.837 -1.169
119 HA ARG 21 HA ARG 21 -0.194 6.026 -1.537
120 1HB ARG 21 2HB ARG 21 1.180 5.297 1.084
121 2HB ARG 21 3HB ARG 21 0.668 6.952 0.760
122 1HG ARG 21 2HG ARG 21 -1.648 6.091 0.240
123 2HG ARG 21 3HG ARG 21 -1.140 4.513 0.879
124 1HD ARG 21 2HD ARG 21 -0.697 5.488 3.068
125 2HD ARG 21 3HD ARG 21 -0.909 7.128 2.421
126 HE ARG 21 HE ARG 21 -3.203 5.325 2.155
127 H CYS 22 H CYS 22 1.091 8.137 -0.727
128 HA CYS 22 HA CYS 22 3.677 8.343 -2.111
129 1HB CYS 22 2HB CYS 22 1.745 9.047 -3.555
130 2HB CYS 22 3HB CYS 22 1.244 10.161 -2.291
131 H TRP 23 H TRP 23 4.896 8.495 -0.156
132 HA TRP 23 HA TRP 23 4.576 10.988 1.206
133 1HB TRP 23 2HB TRP 23 3.167 9.227 2.519
134 2HB TRP 23 3HB TRP 23 4.709 8.484 2.933
135 H HIS 24 H HIS 24 6.617 11.266 2.597
136 HA HIS 24 HA HIS 24 8.873 10.373 0.955
137 1HB HIS 24 2HB HIS 24 8.512 12.726 1.649
138 2HB HIS 24 3HB HIS 24 8.715 12.264 3.338
139 H GLY 25 H GLY 25 8.648 8.069 1.493
140 1HA GLY 25 3HA GLY 25 9.988 7.367 4.091
141 2HA GLY 25 2HA GLY 25 10.491 6.723 2.528
142 H GLN 26 H GLN 26 7.224 6.946 2.301
143 HA GLN 26 HA GLN 26 5.430 5.546 2.715
144 1HB GLN 26 2HB GLN 26 7.402 4.016 0.972
145 2HB GLN 26 3HB GLN 26 5.645 3.793 1.013
146 1HG GLN 26 2HG GLN 26 5.480 5.344 -0.538
147 2HG GLN 26 3HG GLN 26 5.854 6.523 0.702
148 H LEU 27 H LEU 27 5.924 5.290 4.961
149 HA LEU 27 HA LEU 27 5.928 3.628 6.801
150 1HB LEU 27 2HB LEU 27 3.412 3.318 6.843
151 2HB LEU 27 3HB LEU 27 4.023 4.950 6.799
152 HG LEU 27 HG LEU 27 3.378 3.820 4.106
153 H HIS 28 H HIS 28 3.577 2.072 4.632
154 HA HIS 28 HA HIS 28 5.426 0.374 3.474
155 1HB HIS 28 2HB HIS 28 3.385 -0.904 5.354
156 2HB HIS 28 3HB HIS 28 3.887 -1.734 3.892
157 H CYS 29 H CYS 29 4.168 -0.781 1.649
158 HA CYS 29 HA CYS 29 1.817 0.681 0.670
159 1HB CYS 29 2HB CYS 29 3.146 -1.943 -0.158
160 2HB CYS 29 3HB CYS 29 1.798 -1.194 -0.985
161 H LEU 30 H LEU 30 -0.205 -0.790 0.218
162 HA LEU 30 HA LEU 30 -0.762 -2.686 2.363
163 1HB LEU 30 2HB LEU 30 -2.224 -0.072 1.917
164 2HB LEU 30 3HB LEU 30 -3.017 -1.481 2.625
165 HG LEU 30 HG LEU 30 -0.647 -0.020 3.840
166 HA PRO 31 HA PRO 31 -2.616 -3.984 -1.471
167 1HB PRO 31 2HB PRO 31 -3.433 -6.523 -0.832
168 2HB PRO 31 3HB PRO 31 -1.730 -6.087 -1.171
169 1HG PRO 31 2HG PRO 31 -3.083 -6.373 1.511
170 2HG PRO 31 3HG PRO 31 -1.460 -6.961 1.000
171 1HD PRO 31 2HD PRO 31 -1.911 -4.619 2.425
172 2HD PRO 31 3HD PRO 31 -0.514 -4.832 1.321
173 H GLN 32 H GLN 32 -4.210 -4.176 1.618
174 HA GLN 32 HA GLN 32 -6.107 -2.363 0.795
175 1HB GLN 32 2HB GLN 32 -8.175 -3.839 1.619
176 2HB GLN 32 3HB GLN 32 -7.731 -3.619 -0.057
177 1HG GLN 32 2HG GLN 32 -8.364 -5.916 0.355
178 2HG GLN 32 3HG GLN 32 -6.689 -5.831 -0.172
179 H THR 33 H THR 33 -6.328 -4.975 3.299
180 HA THR 33 HA THR 33 -6.126 -2.923 5.386
181 HB THR 33 HB THR 33 -6.984 -5.785 5.787
182 H PHE 34 H PHE 34 -4.273 -5.496 4.025
183 HA PHE 34 HA PHE 34 -2.541 -6.794 4.672
184 1HB PHE 34 2HB PHE 34 -1.479 -4.601 4.534
185 2HB PHE 34 3HB PHE 34 -1.786 -4.322 6.241
186 HZ PHE 34 HZ PHE 34 3.230 -7.329 6.633
187 H LEU 35 H LEU 35 -4.565 -7.792 5.798
188 HA LEU 35 HA LEU 35 -3.318 -9.024 8.068
189 1HB LEU 35 2HB LEU 35 -5.645 -7.339 8.578
190 2HB LEU 35 3HB LEU 35 -6.023 -9.023 8.947
191 HG LEU 35 HG LEU 35 -3.556 -7.607 10.025
192 HA PRO 36 HA PRO 36 -5.852 -11.672 5.037
193 1HB PRO 36 2HB PRO 36 -7.717 -10.472 3.473
194 2HB PRO 36 3HB PRO 36 -8.155 -11.256 5.022
195 1HG PRO 36 2HG PRO 36 -7.696 -8.316 4.483
196 2HG PRO 36 3HG PRO 36 -9.023 -9.077 5.414
197 1HD PRO 36 2HD PRO 36 -6.765 -7.988 6.558
198 2HD PRO 36 3HD PRO 36 -7.658 -9.353 7.287
199 H GLY 37 H GLY 37 -4.583 -11.750 3.209
200 1HA GLY 37 3HA GLY 37 -3.165 -11.057 1.521
201 2HA GLY 37 2HA GLY 37 -3.059 -9.456 2.287
202 H CYS 38 H CYS 38 -6.176 -10.907 1.459
203 HA CYS 38 HA CYS 38 -6.717 -8.965 -0.614
204 1HB CYS 38 2HB CYS 38 -5.249 -10.613 -1.735
205 2HB CYS 38 3HB CYS 38 -6.340 -11.917 -1.273
206 H ASP 39 H ASP 39 -8.134 -8.674 1.206
207 HA ASP 39 HA ASP 39 -10.318 -10.346 1.907
208 1HB ASP 39 2HB ASP 39 -9.780 -8.292 3.134
209 2HB ASP 39 3HB ASP 39 -10.162 -7.307 1.714
No H/Q in entry = 209
Start of MODEL 3
1 H LYS 1 H LYS 1 13.916 14.574 -6.103
2 HA LYS 1 HA LYS 1 14.674 12.909 -3.769
3 1HB LYS 1 2HB LYS 1 13.882 14.791 -2.394
4 2HB LYS 1 3HB LYS 1 15.255 15.173 -3.423
5 1HG LYS 1 2HG LYS 1 13.549 16.248 -5.067
6 2HG LYS 1 3HG LYS 1 12.376 16.113 -3.745
7 1HD LYS 1 2HD LYS 1 13.984 17.364 -2.284
8 2HD LYS 1 3HD LYS 1 15.053 17.572 -3.677
9 1HE LYS 1 2HE LYS 1 12.181 18.601 -3.495
10 2HE LYS 1 3HE LYS 1 13.619 19.567 -3.148
11 1HZ LYS 1 1HZ LYS 1 14.332 19.239 -5.420
12 2HZ LYS 1 2HZ LYS 1 12.987 18.348 -5.758
13 3HZ LYS 1 3HZ LYS 1 12.848 19.940 -5.375
14 H GLU 2 H GLU 2 13.226 11.413 -5.172
15 HA GLU 2 HA GLU 2 10.401 11.829 -5.208
16 1HB GLU 2 2HB GLU 2 11.874 10.439 -6.783
17 2HB GLU 2 3HB GLU 2 11.838 9.175 -5.550
18 1HG GLU 2 2HG GLU 2 9.270 9.270 -5.707
19 2HG GLU 2 3HG GLU 2 9.465 10.391 -7.048
20 HE2 GLU 2 2HE GLU 2 11.060 7.576 -8.856
21 H HIS 3 H HIS 3 10.934 12.290 -2.603
22 HA HIS 3 HA HIS 3 10.533 9.979 -0.866
23 1HB HIS 3 2HB HIS 3 10.304 11.756 0.899
24 2HB HIS 3 3HB HIS 3 11.796 11.777 -0.014
25 H CYS 4 H CYS 4 8.520 9.939 -2.829
26 HA CYS 4 HA CYS 4 6.095 10.361 -1.223
27 1HB CYS 4 2HB CYS 4 6.603 12.332 -2.884
28 2HB CYS 4 3HB CYS 4 5.965 11.257 -4.103
29 H GLY 5 H GLY 5 4.961 9.588 -4.320
30 1HA GLY 5 3HA GLY 5 4.378 7.013 -3.306
31 2HA GLY 5 2HA GLY 5 5.588 6.926 -4.587
32 H SER 6 H SER 6 2.873 5.749 -4.481
33 HA SER 6 HA SER 6 1.418 6.847 -6.638
34 1HB SER 6 2HB SER 6 3.609 6.301 -7.788
35 2HB SER 6 3HB SER 6 3.386 4.605 -7.311
36 HG SER 6 HG SER 6 2.623 5.218 -9.460
37 H ILE 7 H ILE 7 0.687 4.404 -7.643
38 HA ILE 7 HA ILE 7 -1.025 3.411 -5.396
39 HB ILE 7 HB ILE 7 -1.753 3.719 -8.323
40 1HD1 ILE 7 2HD ILE 7 -1.476 5.678 -5.064
41 2HD1 ILE 7 1HD ILE 7 -3.228 5.423 -5.206
42 3HD1 ILE 7 3HD ILE 7 -2.509 6.982 -5.658
43 H LEU 8 H LEU 8 -2.028 1.231 -5.728
44 HA LEU 8 HA LEU 8 -0.851 -0.697 -7.489
45 1HB LEU 8 2HB LEU 8 0.790 -0.444 -5.448
46 2HB LEU 8 3HB LEU 8 -0.483 -1.225 -4.519
47 HG LEU 8 HG LEU 8 -0.226 -2.990 -6.628
48 H HIS 9 H HIS 9 -1.772 -2.921 -6.298
49 HA HIS 9 HA HIS 9 -4.446 -2.849 -5.271
50 1HB HIS 9 2HB HIS 9 -5.218 -4.104 -7.497
51 2HB HIS 9 3HB HIS 9 -5.451 -2.398 -7.163
52 H GLY 10 H GLY 10 -1.730 -4.253 -4.921
53 1HA GLY 10 3HA GLY 10 -2.239 -6.829 -4.308
54 2HA GLY 10 2HA GLY 10 -0.649 -6.264 -4.838
55 H THR 11 H THR 11 -3.737 -7.456 -5.973
56 HA THR 11 HA THR 11 -2.768 -9.350 -7.896
57 HB THR 11 HB THR 11 -5.472 -8.105 -7.226
58 H TRP 12 H TRP 12 -3.182 -9.212 -10.205
59 HA TRP 12 HA TRP 12 -2.742 -6.546 -11.338
60 1HB TRP 12 2HB TRP 12 -2.469 -8.000 -13.453
61 2HB TRP 12 3HB TRP 12 -1.301 -8.274 -12.173
62 H LEU 13 H LEU 13 -3.897 -6.139 -13.466
63 HA LEU 13 HA LEU 13 -5.750 -5.054 -14.141
64 1HB LEU 13 2HB LEU 13 -6.732 -7.773 -13.651
65 2HB LEU 13 3HB LEU 13 -7.955 -6.624 -13.220
66 HG LEU 13 HG LEU 13 -7.649 -5.556 -15.520
67 HA PRO 14 HA PRO 14 -7.011 -2.767 -10.556
68 1HB PRO 14 2HB PRO 14 -9.561 -1.846 -10.838
69 2HB PRO 14 3HB PRO 14 -8.248 -1.392 -11.956
70 1HG PRO 14 2HG PRO 14 -10.292 -3.609 -12.322
71 2HG PRO 14 3HG PRO 14 -9.889 -2.282 -13.464
72 1HD PRO 14 2HD PRO 14 -8.784 -4.733 -13.674
73 2HD PRO 14 3HD PRO 14 -7.816 -3.273 -14.023
74 H LYS 15 H LYS 15 -7.064 -5.568 -10.016
75 HA LYS 15 HA LYS 15 -9.594 -6.304 -8.695
76 1HB LYS 15 2HB LYS 15 -6.835 -7.469 -9.006
77 2HB LYS 15 3HB LYS 15 -7.988 -8.210 -7.902
78 1HG LYS 15 2HG LYS 15 -8.718 -7.775 -10.834
79 2HG LYS 15 3HG LYS 15 -7.723 -9.140 -10.335
80 1HD LYS 15 2HD LYS 15 -9.537 -9.730 -8.632
81 2HD LYS 15 3HD LYS 15 -10.581 -8.576 -9.496
82 1HE LYS 15 2HE LYS 15 -10.230 -9.840 -11.597
83 2HE LYS 15 3HE LYS 15 -9.084 -10.912 -10.780
84 1HZ LYS 15 1HZ LYS 15 -10.884 -11.671 -9.369
85 2HZ LYS 15 2HZ LYS 15 -11.960 -10.702 -10.156
86 3HZ LYS 15 3HZ LYS 15 -11.227 -11.940 -10.952
87 H LYS 16 H LYS 16 -9.954 -5.118 -6.769
88 HA LYS 16 HA LYS 16 -7.893 -3.898 -5.289
89 1HB LYS 16 2HB LYS 16 -9.636 -3.248 -3.710
90 2HB LYS 16 3HB LYS 16 -10.048 -2.973 -5.381
91 1HG LYS 16 2HG LYS 16 -12.043 -3.739 -4.728
92 2HG LYS 16 3HG LYS 16 -11.356 -5.300 -5.115
93 1HD LYS 16 2HD LYS 16 -11.580 -6.009 -3.003
94 2HD LYS 16 3HD LYS 16 -10.722 -4.633 -2.332
95 1HE LYS 16 2HE LYS 16 -13.670 -4.626 -3.092
96 2HE LYS 16 3HE LYS 16 -13.038 -4.899 -1.461
97 1HZ LYS 16 1HZ LYS 16 -12.050 -2.706 -1.529
98 2HZ LYS 16 2HZ LYS 16 -12.648 -2.439 -3.039
99 3HZ LYS 16 3HZ LYS 16 -13.677 -2.612 -1.767
100 H CYS 17 H CYS 17 -6.329 -5.586 -4.918
101 HA CYS 17 HA CYS 17 -6.790 -6.971 -2.301
102 1HB CYS 17 2HB CYS 17 -5.167 -7.775 -4.725
103 2HB CYS 17 3HB CYS 17 -5.115 -8.604 -3.189
104 H SER 18 H SER 18 -5.384 -4.248 -3.307
105 HA SER 18 HA SER 18 -3.783 -3.980 -1.030
106 1HB SER 18 2HB SER 18 -2.135 -5.180 -2.634
107 2HB SER 18 3HB SER 18 -2.114 -3.564 -3.416
108 HG SER 18 HG SER 18 -0.529 -3.966 -1.670
109 H LEU 19 H LEU 19 -2.536 -1.802 -1.486
110 HA LEU 19 HA LEU 19 -3.464 -0.182 -3.543
111 1HB LEU 19 2HB LEU 19 -5.163 0.016 -1.376
112 2HB LEU 19 3HB LEU 19 -3.966 1.163 -0.851
113 HG LEU 19 HG LEU 19 -6.025 2.048 -1.936
114 H CYS 20 H CYS 20 -2.268 2.233 -2.783
115 HA CYS 20 HA CYS 20 0.140 1.738 -1.310
116 1HB CYS 20 2HB CYS 20 0.475 0.650 -3.581
117 2HB CYS 20 3HB CYS 20 0.362 2.252 -4.305
118 H ARG 21 H ARG 21 1.503 3.863 -1.573
119 HA ARG 21 HA ARG 21 -0.045 6.266 -1.927
120 1HB ARG 21 2HB ARG 21 0.305 5.023 0.848
121 2HB ARG 21 3HB ARG 21 0.279 6.774 0.660
122 1HG ARG 21 2HG ARG 21 -1.931 6.706 -0.373
123 2HG ARG 21 3HG ARG 21 -1.991 4.945 -0.226
124 1HD ARG 21 2HD ARG 21 -1.528 6.631 2.238
125 2HD ARG 21 3HD ARG 21 -3.149 6.484 1.577
126 HE ARG 21 HE ARG 21 -1.587 4.438 2.940
127 H CYS 22 H CYS 22 1.294 8.123 -1.360
128 HA CYS 22 HA CYS 22 4.108 7.860 -1.586
129 1HB CYS 22 2HB CYS 22 2.377 10.031 -0.323
130 2HB CYS 22 3HB CYS 22 4.108 10.175 -0.490
131 H TRP 23 H TRP 23 5.825 7.701 -0.073
132 HA TRP 23 HA TRP 23 5.336 8.621 2.540
133 1HB TRP 23 2HB TRP 23 5.664 6.842 3.947
134 2HB TRP 23 3HB TRP 23 4.598 6.139 2.750
135 H HIS 24 H HIS 24 7.458 8.448 3.866
136 HA HIS 24 HA HIS 24 9.412 9.833 2.453
137 1HB HIS 24 2HB HIS 24 8.965 9.844 4.937
138 2HB HIS 24 3HB HIS 24 9.810 8.304 5.062
139 H GLY 25 H GLY 25 9.218 6.298 2.903
140 1HA GLY 25 3HA GLY 25 10.815 4.655 2.483
141 2HA GLY 25 2HA GLY 25 12.003 5.883 2.067
142 H GLN 26 H GLN 26 9.339 6.778 0.308
143 HA GLN 26 HA GLN 26 8.686 6.697 -1.762
144 1HB GLN 26 2HB GLN 26 11.076 6.441 -2.506
145 2HB GLN 26 3HB GLN 26 10.802 4.687 -2.568
146 1HG GLN 26 2HG GLN 26 8.903 5.071 -4.139
147 2HG GLN 26 3HG GLN 26 9.239 6.807 -4.110
148 H LEU 27 H LEU 27 6.896 5.838 -2.198
149 HA LEU 27 HA LEU 27 5.130 4.544 -1.291
150 1HB LEU 27 2HB LEU 27 4.313 3.582 -3.307
151 2HB LEU 27 3HB LEU 27 5.021 5.105 -3.515
152 HG LEU 27 HG LEU 27 7.113 3.257 -4.161
153 H HIS 28 H HIS 28 5.010 3.209 0.324
154 HA HIS 28 HA HIS 28 6.536 0.789 0.538
155 1HB HIS 28 2HB HIS 28 5.528 2.569 2.313
156 2HB HIS 28 3HB HIS 28 4.233 1.396 2.386
157 H CYS 29 H CYS 29 3.676 1.234 -1.104
158 HA CYS 29 HA CYS 29 1.618 0.169 -1.225
159 1HB CYS 29 2HB CYS 29 3.570 -1.759 -2.507
160 2HB CYS 29 3HB CYS 29 1.860 -1.547 -2.874
161 H LEU 30 H LEU 30 0.611 -0.527 0.682
162 HA LEU 30 HA LEU 30 1.039 -3.340 1.377
163 1HB LEU 30 2HB LEU 30 2.446 -2.667 2.947
164 2HB LEU 30 3HB LEU 30 1.922 -0.995 2.861
165 HG LEU 30 HG LEU 30 -0.041 -1.574 4.309
166 HA PRO 31 HA PRO 31 -3.424 -2.866 1.340
167 1HB PRO 31 2HB PRO 31 -4.068 -5.409 2.375
168 2HB PRO 31 3HB PRO 31 -3.767 -5.043 0.677
169 1HG PRO 31 2HG PRO 31 -1.953 -6.312 2.645
170 2HG PRO 31 3HG PRO 31 -2.022 -6.506 0.862
171 1HD PRO 31 2HD PRO 31 -0.112 -5.018 2.254
172 2HD PRO 31 3HD PRO 31 -0.520 -4.783 0.548
173 H GLN 32 H GLN 32 -2.354 -4.796 4.099
174 HA GLN 32 HA GLN 32 -2.407 -4.699 6.317
175 1HB GLN 32 2HB GLN 32 -1.723 -2.264 5.939
176 2HB GLN 32 3HB GLN 32 -3.406 -1.829 6.236
177 1HG GLN 32 2HG GLN 32 -3.292 -2.872 8.473
178 2HG GLN 32 3HG GLN 32 -1.629 -3.395 8.160
179 H THR 33 H THR 33 -5.102 -2.928 5.019
180 HA THR 33 HA THR 33 -7.116 -4.692 6.372
181 HB THR 33 HB THR 33 -7.330 -1.683 5.994
182 H PHE 34 H PHE 34 -5.873 -3.570 3.446
183 HA PHE 34 HA PHE 34 -8.254 -2.811 2.116
184 1HB PHE 34 2HB PHE 34 -5.757 -2.135 1.793
185 2HB PHE 34 3HB PHE 34 -5.662 -3.507 0.723
186 HZ PHE 34 HZ PHE 34 -8.654 0.323 -2.635
187 H LEU 35 H LEU 35 -9.491 -4.646 2.622
188 HA LEU 35 HA LEU 35 -10.730 -6.450 2.199
189 1HB LEU 35 2HB LEU 35 -10.770 -5.914 -0.178
190 2HB LEU 35 3HB LEU 35 -9.290 -6.834 -0.426
191 HG LEU 35 HG LEU 35 -11.101 -8.544 1.042
192 HA PRO 36 HA PRO 36 -7.319 -8.938 3.945
193 1HB PRO 36 2HB PRO 36 -8.413 -9.590 6.357
194 2HB PRO 36 3HB PRO 36 -7.811 -7.943 6.016
195 1HG PRO 36 2HG PRO 36 -10.675 -8.941 5.768
196 2HG PRO 36 3HG PRO 36 -10.084 -7.508 6.673
197 1HD PRO 36 2HD PRO 36 -11.056 -7.314 4.137
198 2HD PRO 36 3HD PRO 36 -9.694 -6.302 4.696
199 H GLY 37 H GLY 37 -8.552 -9.909 1.906
200 1HA GLY 37 3HA GLY 37 -10.138 -11.940 1.515
201 2HA GLY 37 2HA GLY 37 -8.991 -12.767 2.603
202 H CYS 38 H CYS 38 -7.031 -10.632 1.059
203 HA CYS 38 HA CYS 38 -6.088 -12.361 -1.038
204 1HB CYS 38 2HB CYS 38 -8.267 -11.479 -1.949
205 2HB CYS 38 3HB CYS 38 -7.662 -9.846 -1.703
206 H ASP 39 H ASP 39 -4.404 -11.830 0.582
207 HA ASP 39 HA ASP 39 -3.543 -9.187 1.152
208 1HB ASP 39 2HB ASP 39 -3.060 -11.223 2.511
209 2HB ASP 39 3HB ASP 39 -1.930 -11.769 1.265
No H/Q in entry = 209
Start of MODEL 4
1 H LYS 1 H LYS 1 7.206 6.539 -4.787
2 HA LYS 1 HA LYS 1 9.104 7.928 -6.645
3 1HB LYS 1 2HB LYS 1 6.343 6.773 -6.920
4 2HB LYS 1 3HB LYS 1 6.640 8.277 -7.768
5 1HG LYS 1 2HG LYS 1 7.035 6.451 -9.246
6 2HG LYS 1 3HG LYS 1 8.530 7.329 -8.990
7 1HD LYS 1 2HD LYS 1 7.895 4.820 -7.393
8 2HD LYS 1 3HD LYS 1 8.476 4.687 -9.045
9 1HE LYS 1 2HE LYS 1 9.983 6.111 -6.813
10 2HE LYS 1 3HE LYS 1 10.268 4.451 -7.327
11 1HZ LYS 1 2HZ LYS 1 10.586 6.819 -9.054
12 2HZ LYS 1 3HZ LYS 1 11.806 5.987 -8.334
13 3HZ LYS 1 1HZ LYS 1 10.889 5.262 -9.490
14 H GLU 2 H GLU 2 8.597 10.028 -7.366
15 HA GLU 2 HA GLU 2 8.909 12.161 -6.744
16 1HB GLU 2 2HB GLU 2 6.735 13.377 -6.438
17 2HB GLU 2 3HB GLU 2 6.889 12.399 -7.882
18 1HG GLU 2 2HG GLU 2 5.319 10.809 -7.195
19 2HG GLU 2 3HG GLU 2 5.517 11.179 -5.483
20 HE2 GLU 2 2HE GLU 2 2.846 13.259 -7.522
21 H HIS 3 H HIS 3 6.484 12.724 -4.421
22 HA HIS 3 HA HIS 3 8.051 11.636 -2.187
23 1HB HIS 3 2HB HIS 3 7.035 14.498 -2.240
24 2HB HIS 3 3HB HIS 3 7.554 13.637 -0.793
25 H CYS 4 H CYS 4 6.231 10.170 -3.261
26 HA CYS 4 HA CYS 4 3.845 10.528 -1.527
27 1HB CYS 4 2HB CYS 4 3.335 11.075 -3.835
28 2HB CYS 4 3HB CYS 4 3.898 9.505 -4.384
29 H GLY 5 H GLY 5 4.333 7.618 -3.539
30 1HA GLY 5 3HA GLY 5 3.418 5.807 -2.006
31 2HA GLY 5 2HA GLY 5 4.904 6.057 -1.063
32 H SER 6 H SER 6 4.402 3.599 -1.907
33 HA SER 6 HA SER 6 6.224 3.305 -4.286
34 1HB SER 6 2HB SER 6 7.173 1.324 -3.433
35 2HB SER 6 3HB SER 6 7.386 2.657 -2.297
36 HG SER 6 HG SER 6 6.406 1.532 -0.843
37 H ILE 7 H ILE 7 5.088 0.316 -3.561
38 HA ILE 7 HA ILE 7 3.974 0.187 -6.220
39 HB ILE 7 HB ILE 7 3.775 -1.920 -4.044
40 1HD1 ILE 7 2HD ILE 7 6.312 -0.277 -6.378
41 2HD1 ILE 7 3HD ILE 7 7.506 -1.561 -6.125
42 3HD1 ILE 7 1HD ILE 7 6.079 -1.878 -7.123
43 H LEU 8 H LEU 8 1.747 -0.612 -6.806
44 HA LEU 8 HA LEU 8 -0.378 -0.465 -4.775
45 1HB LEU 8 2HB LEU 8 0.033 1.941 -5.578
46 2HB LEU 8 3HB LEU 8 -0.491 1.385 -7.175
47 HG LEU 8 HG LEU 8 -2.603 0.533 -6.059
48 H HIS 9 H HIS 9 -1.881 -1.793 -5.274
49 HA HIS 9 HA HIS 9 -3.177 -3.457 -6.340
50 1HB HIS 9 2HB HIS 9 -3.186 -1.088 -8.153
51 2HB HIS 9 3HB HIS 9 -4.331 -2.436 -8.247
52 H GLY 10 H GLY 10 -0.711 -4.474 -6.598
53 1HA GLY 10 3HA GLY 10 0.731 -5.647 -7.989
54 2HA GLY 10 2HA GLY 10 0.017 -4.865 -9.410
55 H THR 11 H THR 11 -1.676 -6.707 -6.820
56 HA THR 11 HA THR 11 -2.264 -9.049 -8.215
57 HB THR 11 HB THR 11 -4.258 -7.898 -6.292
58 H TRP 12 H TRP 12 -2.878 -8.483 -10.409
59 HA TRP 12 HA TRP 12 -5.010 -6.574 -10.806
60 1HB TRP 12 2HB TRP 12 -2.838 -7.155 -12.241
61 2HB TRP 12 3HB TRP 12 -3.913 -8.295 -13.033
62 H LEU 13 H LEU 13 -6.705 -7.016 -12.460
63 HA LEU 13 HA LEU 13 -8.874 -7.557 -12.532
64 1HB LEU 13 2HB LEU 13 -7.751 -10.209 -12.402
65 2HB LEU 13 3HB LEU 13 -9.073 -10.124 -11.256
66 HG LEU 13 HG LEU 13 -10.520 -9.240 -13.181
67 HA PRO 14 HA PRO 14 -9.954 -6.238 -8.515
68 1HB PRO 14 2HB PRO 14 -12.429 -7.106 -7.794
69 2HB PRO 14 3HB PRO 14 -12.143 -6.022 -9.189
70 1HG PRO 14 2HG PRO 14 -12.503 -9.033 -9.222
71 2HG PRO 14 3HG PRO 14 -13.299 -7.810 -10.262
72 1HD PRO 14 2HD PRO 14 -11.100 -9.223 -11.031
73 2HD PRO 14 3HD PRO 14 -11.364 -7.535 -11.574
74 H LYS 15 H LYS 15 -8.103 -7.399 -7.642
75 HA LYS 15 HA LYS 15 -8.730 -9.701 -5.894
76 1HB LYS 15 2HB LYS 15 -6.120 -8.683 -6.884
77 2HB LYS 15 3HB LYS 15 -6.393 -10.193 -5.993
78 1HG LYS 15 2HG LYS 15 -7.501 -9.599 -8.761
79 2HG LYS 15 3HG LYS 15 -5.995 -10.443 -8.430
80 1HD LYS 15 2HD LYS 15 -7.137 -12.299 -7.416
81 2HD LYS 15 3HD LYS 15 -8.683 -11.436 -7.422
82 1HE LYS 15 2HE LYS 15 -8.442 -13.152 -9.252
83 2HE LYS 15 3HE LYS 15 -8.889 -11.527 -9.774
84 1HZ LYS 15 2HZ LYS 15 -6.161 -12.647 -9.929
85 2HZ LYS 15 3HZ LYS 15 -7.196 -12.460 -11.195
86 3HZ LYS 15 1HZ LYS 15 -6.596 -11.136 -10.424
87 H LYS 16 H LYS 16 -6.718 -9.599 -4.073
88 HA LYS 16 HA LYS 16 -7.053 -7.132 -2.513
89 1HB LYS 16 2HB LYS 16 -5.506 -8.041 -0.952
90 2HB LYS 16 3HB LYS 16 -6.716 -9.250 -1.348
91 1HG LYS 16 2HG LYS 16 -4.884 -10.201 -2.992
92 2HG LYS 16 3HG LYS 16 -3.770 -9.205 -2.037
93 1HD LYS 16 2HD LYS 16 -4.795 -10.382 0.045
94 2HD LYS 16 3HD LYS 16 -5.488 -11.520 -1.121
95 1HE LYS 16 2HE LYS 16 -3.480 -12.553 -0.517
96 2HE LYS 16 3HE LYS 16 -3.068 -11.762 -2.048
97 1HZ LYS 16 2HZ LYS 16 -2.528 -10.671 0.657
98 2HZ LYS 16 3HZ LYS 16 -1.397 -11.385 -0.322
99 3HZ LYS 16 1HZ LYS 16 -2.089 -9.928 -0.692
100 H CYS 17 H CYS 17 -6.680 -5.921 -4.685
101 HA CYS 17 HA CYS 17 -4.227 -5.827 -5.962
102 1HB CYS 17 2HB CYS 17 -6.171 -3.546 -5.659
103 2HB CYS 17 3HB CYS 17 -5.153 -3.962 -7.020
104 H SER 18 H SER 18 -2.467 -5.463 -4.913
105 HA SER 18 HA SER 18 -1.791 -5.068 -2.596
106 1HB SER 18 2HB SER 18 -0.567 -3.512 -4.952
107 2HB SER 18 3HB SER 18 0.374 -4.061 -3.603
108 HG SER 18 HG SER 18 -0.070 -6.215 -4.322
109 H LEU 19 H LEU 19 -1.686 -3.481 -0.865
110 HA LEU 19 HA LEU 19 -3.319 -1.144 -1.466
111 1HB LEU 19 2HB LEU 19 -3.841 -2.602 0.495
112 2HB LEU 19 3HB LEU 19 -2.274 -2.199 1.196
113 HG LEU 19 HG LEU 19 -3.115 0.324 0.987
114 H CYS 20 H CYS 20 -0.279 -1.582 0.410
115 HA CYS 20 HA CYS 20 1.455 -0.164 0.888
116 1HB CYS 20 2HB CYS 20 1.579 -0.217 -1.588
117 2HB CYS 20 3HB CYS 20 0.572 1.211 -1.700
118 H ARG 21 H ARG 21 1.978 2.322 0.833
119 HA ARG 21 HA ARG 21 -0.207 4.047 1.759
120 1HB ARG 21 2HB ARG 21 1.877 2.919 3.624
121 2HB ARG 21 3HB ARG 21 1.461 4.634 3.786
122 1HG ARG 21 2HG ARG 21 -0.880 4.137 4.082
123 2HG ARG 21 3HG ARG 21 -0.611 2.406 3.843
124 1HD ARG 21 2HD ARG 21 0.776 3.964 6.046
125 2HD ARG 21 3HD ARG 21 -0.829 3.241 6.261
126 HE ARG 21 HE ARG 21 0.475 1.124 5.340
127 H CYS 22 H CYS 22 0.164 5.774 0.522
128 HA CYS 22 HA CYS 22 2.869 6.663 -0.187
129 1HB CYS 22 2HB CYS 22 1.269 7.039 -1.899
130 2HB CYS 22 3HB CYS 22 0.019 7.521 -0.764
131 H TRP 23 H TRP 23 3.839 8.475 0.801
132 HA TRP 23 HA TRP 23 2.385 10.010 2.817
133 1HB TRP 23 2HB TRP 23 3.200 7.961 4.033
134 2HB TRP 23 3HB TRP 23 4.846 8.445 3.681
135 H HIS 24 H HIS 24 5.749 9.329 1.802
136 HA HIS 24 HA HIS 24 6.088 12.094 0.893
137 1HB HIS 24 2HB HIS 24 6.421 11.860 3.533
138 2HB HIS 24 3HB HIS 24 8.023 11.300 3.058
139 H GLY 25 H GLY 25 6.476 9.278 -0.184
140 1HA GLY 25 3HA GLY 25 9.148 9.681 -1.415
141 2HA GLY 25 2HA GLY 25 7.879 8.558 -1.933
142 H GLN 26 H GLN 26 7.230 7.159 0.352
143 HA GLN 26 HA GLN 26 9.642 5.737 1.196
144 1HB GLN 26 2HB GLN 26 9.194 6.170 3.576
145 2HB GLN 26 3HB GLN 26 9.567 7.665 2.727
146 1HG GLN 26 2HG GLN 26 7.170 8.242 2.629
147 2HG GLN 26 3HG GLN 26 6.742 6.734 3.433
148 H LEU 27 H LEU 27 8.959 4.165 2.797
149 HA LEU 27 HA LEU 27 7.824 2.455 3.693
150 1HB LEU 27 2HB LEU 27 5.331 3.626 2.431
151 2HB LEU 27 3HB LEU 27 5.333 2.169 3.391
152 HG LEU 27 HG LEU 27 6.532 4.724 4.521
153 H HIS 28 H HIS 28 8.364 0.548 3.088
154 HA HIS 28 HA HIS 28 8.603 -0.270 0.362
155 1HB HIS 28 2HB HIS 28 9.944 -1.067 2.382
156 2HB HIS 28 3HB HIS 28 8.566 -2.074 2.819
157 H CYS 29 H CYS 29 5.873 -0.315 2.537
158 HA CYS 29 HA CYS 29 3.614 -0.844 2.157
159 1HB CYS 29 2HB CYS 29 4.653 -0.903 -0.658
160 2HB CYS 29 3HB CYS 29 2.982 -1.111 -0.172
161 H LEU 30 H LEU 30 2.138 -2.620 1.861
162 HA LEU 30 HA LEU 30 3.349 -5.261 1.708
163 1HB LEU 30 2HB LEU 30 2.716 -5.988 3.824
164 2HB LEU 30 3HB LEU 30 3.772 -4.604 3.957
165 HG LEU 30 HG LEU 30 0.799 -4.724 4.581
166 HA PRO 31 HA PRO 31 -0.827 -5.488 -0.099
167 1HB PRO 31 2HB PRO 31 -0.310 -7.167 -2.126
168 2HB PRO 31 3HB PRO 31 0.495 -5.568 -2.058
169 1HG PRO 31 2HG PRO 31 1.640 -8.209 -1.128
170 2HG PRO 31 3HG PRO 31 2.361 -7.022 -2.274
171 1HD PRO 31 2HD PRO 31 2.878 -7.049 0.452
172 2HD PRO 31 3HD PRO 31 2.928 -5.558 -0.543
173 H GLN 32 H GLN 32 0.323 -7.162 2.242
174 HA GLN 32 HA GLN 32 -0.316 -9.915 1.891
175 1HB GLN 32 2HB GLN 32 1.398 -9.077 3.415
176 2HB GLN 32 3HB GLN 32 0.208 -8.162 4.315
177 1HG GLN 32 2HG GLN 32 -0.753 -10.846 4.380
178 2HG GLN 32 3HG GLN 32 0.993 -10.992 4.524
179 H THR 33 H THR 33 -1.797 -8.118 4.574
180 HA THR 33 HA THR 33 -4.530 -8.723 3.544
181 HB THR 33 HB THR 33 -3.557 -9.044 6.403
182 H PHE 34 H PHE 34 -2.551 -6.206 4.232
183 HA PHE 34 HA PHE 34 -3.478 -4.946 6.454
184 1HB PHE 34 2HB PHE 34 -1.450 -4.515 4.850
185 2HB PHE 34 3HB PHE 34 -2.485 -3.314 4.108
186 HZ PHE 34 HZ PHE 34 -0.774 -0.438 8.955
187 H LEU 35 H LEU 35 -4.798 -4.438 3.171
188 HA LEU 35 HA LEU 35 -7.364 -4.140 4.295
189 1HB LEU 35 2HB LEU 35 -6.797 -1.794 4.590
190 2HB LEU 35 3HB LEU 35 -6.278 -1.672 2.917
191 HG LEU 35 HG LEU 35 -8.579 -2.033 2.125
192 HA PRO 36 HA PRO 36 -7.378 -5.988 0.041
193 1HB PRO 36 2HB PRO 36 -9.525 -7.617 0.346
194 2HB PRO 36 3HB PRO 36 -7.916 -8.017 1.019
195 1HG PRO 36 2HG PRO 36 -10.266 -6.739 2.453
196 2HG PRO 36 3HG PRO 36 -9.279 -8.140 2.981
197 1HD PRO 36 2HD PRO 36 -8.808 -5.608 3.860
198 2HD PRO 36 3HD PRO 36 -7.468 -6.755 3.574
199 H GLY 37 H GLY 37 -9.208 -6.062 -1.618
200 1HA GLY 37 3HA GLY 37 -11.391 -4.129 -1.070
201 2HA GLY 37 2HA GLY 37 -11.411 -5.518 -2.185
202 H CYS 38 H CYS 38 -8.580 -4.123 -2.863
203 HA CYS 38 HA CYS 38 -7.862 -3.167 -4.713
204 1HB CYS 38 2HB CYS 38 -9.607 -4.926 -5.525
205 2HB CYS 38 3HB CYS 38 -10.528 -3.514 -6.028
206 H ASP 39 H ASP 39 -9.460 -1.428 -2.836
207 HA ASP 39 HA ASP 39 -11.061 0.466 -3.812
208 1HB ASP 39 2HB ASP 39 -10.435 0.388 -1.471
209 2HB ASP 39 3HB ASP 39 -8.790 0.936 -1.849
No H/Q in entry = 209
Start of MODEL 5
1 H LYS 1 H LYS 1 4.799 16.218 -5.145
2 HA LYS 1 HA LYS 1 5.058 14.979 -2.588
3 1HB LYS 1 2HB LYS 1 2.655 14.706 -2.647
4 2HB LYS 1 3HB LYS 1 3.114 16.286 -3.228
5 1HG LYS 1 2HG LYS 1 1.479 15.763 -4.740
6 2HG LYS 1 3HG LYS 1 2.905 15.276 -5.630
7 1HD LYS 1 2HD LYS 1 1.195 13.617 -5.950
8 2HD LYS 1 3HD LYS 1 2.461 12.890 -4.989
9 1HE LYS 1 2HE LYS 1 0.361 12.199 -4.064
10 2HE LYS 1 3HE LYS 1 1.099 13.316 -2.917
11 1HZ LYS 1 1HZ LYS 1 -0.345 15.052 -3.804
12 2HZ LYS 1 2HZ LYS 1 -1.032 13.988 -4.852
13 3HZ LYS 1 3HZ LYS 1 -1.233 13.792 -3.233
14 H GLU 2 H GLU 2 6.063 13.685 -5.231
15 HA GLU 2 HA GLU 2 5.111 10.919 -5.040
16 1HB GLU 2 2HB GLU 2 5.795 11.924 -7.216
17 2HB GLU 2 3HB GLU 2 7.426 12.132 -6.607
18 1HG GLU 2 2HG GLU 2 7.244 9.499 -6.161
19 2HG GLU 2 3HG GLU 2 5.968 9.596 -7.361
20 HE2 GLU 2 2HE GLU 2 8.271 10.074 -9.952
21 H HIS 3 H HIS 3 8.545 11.783 -5.103
22 HA HIS 3 HA HIS 3 10.351 10.931 -4.054
23 1HB HIS 3 2HB HIS 3 9.718 11.865 -2.014
24 2HB HIS 3 3HB HIS 3 8.638 10.478 -1.752
25 H CYS 4 H CYS 4 10.489 9.235 -5.637
26 HA CYS 4 HA CYS 4 10.918 7.154 -6.224
27 1HB CYS 4 2HB CYS 4 12.107 6.230 -4.694
28 2HB CYS 4 3HB CYS 4 11.401 7.230 -3.466
29 H GLY 5 H GLY 5 9.877 4.605 -5.880
30 1HA GLY 5 3HA GLY 5 7.566 4.428 -7.316
31 2HA GLY 5 2HA GLY 5 6.996 4.664 -5.658
32 H SER 6 H SER 6 6.483 2.530 -4.713
33 HA SER 6 HA SER 6 7.989 0.279 -5.799
34 1HB SER 6 2HB SER 6 7.041 0.716 -2.922
35 2HB SER 6 3HB SER 6 7.750 -0.774 -3.578
36 HG SER 6 HG SER 6 9.303 0.497 -2.488
37 H ILE 7 H ILE 7 6.437 -1.183 -6.514
38 HA ILE 7 HA ILE 7 3.552 -0.584 -6.005
39 HB ILE 7 HB ILE 7 4.867 -1.199 -8.647
40 1HD1 ILE 7 3HD ILE 7 5.112 2.271 -9.547
41 2HD1 ILE 7 2HD ILE 7 4.748 0.729 -10.354
42 3HD1 ILE 7 1HD ILE 7 6.098 0.837 -9.199
43 H LEU 8 H LEU 8 2.173 -2.434 -6.521
44 HA LEU 8 HA LEU 8 3.371 -5.106 -6.332
45 1HB LEU 8 2HB LEU 8 1.514 -3.951 -4.258
46 2HB LEU 8 3HB LEU 8 1.469 -5.680 -4.614
47 HG LEU 8 HG LEU 8 3.957 -4.243 -3.707
48 H HIS 9 H HIS 9 -0.001 -4.708 -5.655
49 HA HIS 9 HA HIS 9 -0.791 -5.487 -8.431
50 1HB HIS 9 2HB HIS 9 -1.100 -7.047 -5.867
51 2HB HIS 9 3HB HIS 9 -1.771 -7.543 -7.428
52 H GLY 10 H GLY 10 -1.609 -3.653 -5.685
53 1HA GLY 10 3HA GLY 10 -3.536 -2.665 -4.961
54 2HA GLY 10 2HA GLY 10 -4.468 -3.853 -5.865
55 H THR 11 H THR 11 -3.962 -3.569 -8.375
56 HA THR 11 HA THR 11 -3.673 -1.134 -9.617
57 HB THR 11 HB THR 11 -5.343 -3.515 -10.528
58 H TRP 12 H TRP 12 -5.155 -0.041 -7.772
59 HA TRP 12 HA TRP 12 -7.040 1.207 -7.335
60 1HB TRP 12 2HB TRP 12 -8.145 1.950 -9.757
61 2HB TRP 12 3HB TRP 12 -6.876 2.745 -8.878
62 H LEU 13 H LEU 13 -9.483 1.331 -8.699
63 HA LEU 13 HA LEU 13 -11.309 -0.357 -7.533
64 1HB LEU 13 2HB LEU 13 -11.252 0.880 -10.238
65 2HB LEU 13 3HB LEU 13 -12.506 -0.289 -9.850
66 HG LEU 13 HG LEU 13 -13.215 2.019 -9.553
67 HA PRO 14 HA PRO 14 -10.477 -4.199 -10.160
68 1HB PRO 14 2HB PRO 14 -9.062 -4.180 -12.500
69 2HB PRO 14 3HB PRO 14 -10.698 -3.484 -12.380
70 1HG PRO 14 2HG PRO 14 -8.050 -2.013 -12.168
71 2HG PRO 14 3HG PRO 14 -9.446 -1.622 -13.218
72 1HD PRO 14 2HD PRO 14 -9.119 -0.435 -10.740
73 2HD PRO 14 3HD PRO 14 -10.734 -0.838 -11.398
74 H LYS 15 H LYS 15 -8.562 -3.030 -8.215
75 HA LYS 15 HA LYS 15 -6.073 -4.125 -8.173
76 1HB LYS 15 2HB LYS 15 -6.474 -4.687 -5.755
77 2HB LYS 15 3HB LYS 15 -6.953 -3.064 -6.231
78 1HG LYS 15 2HG LYS 15 -9.323 -4.514 -6.599
79 2HG LYS 15 3HG LYS 15 -8.591 -5.365 -5.253
80 1HD LYS 15 2HD LYS 15 -8.578 -3.370 -3.895
81 2HD LYS 15 3HD LYS 15 -8.918 -2.337 -5.302
82 1HE LYS 15 2HE LYS 15 -11.081 -3.542 -5.639
83 2HE LYS 15 3HE LYS 15 -10.800 -4.411 -4.117
84 1HZ LYS 15 1HZ LYS 15 -10.771 -2.255 -3.004
85 2HZ LYS 15 2HZ LYS 15 -11.048 -1.486 -4.436
86 3HZ LYS 15 3HZ LYS 15 -12.194 -2.481 -3.804
87 H LYS 16 H LYS 16 -5.000 -6.000 -7.918
88 HA LYS 16 HA LYS 16 -6.534 -8.491 -8.415
89 1HB LYS 16 2HB LYS 16 -5.029 -7.841 -10.198
90 2HB LYS 16 3HB LYS 16 -3.658 -7.747 -9.086
91 1HG LYS 16 2HG LYS 16 -3.679 -10.113 -8.689
92 2HG LYS 16 3HG LYS 16 -5.243 -10.322 -9.477
93 1HD LYS 16 2HD LYS 16 -2.729 -9.366 -10.916
94 2HD LYS 16 3HD LYS 16 -3.190 -11.062 -10.807
95 1HE LYS 16 2HE LYS 16 -4.904 -8.874 -12.071
96 2HE LYS 16 3HE LYS 16 -3.849 -9.977 -12.962
97 1HZ LYS 16 1HZ LYS 16 -5.169 -11.815 -12.159
98 2HZ LYS 16 2HZ LYS 16 -6.153 -10.801 -11.316
99 3HZ LYS 16 3HZ LYS 16 -6.121 -10.739 -12.958
100 H CYS 17 H CYS 17 -3.907 -7.129 -6.322
101 HA CYS 17 HA CYS 17 -4.689 -9.223 -4.380
102 1HB CYS 17 2HB CYS 17 -2.867 -10.246 -5.557
103 2HB CYS 17 3HB CYS 17 -1.838 -8.867 -5.280
104 H SER 18 H SER 18 -2.069 -6.629 -4.375
105 HA SER 18 HA SER 18 -3.596 -5.153 -2.397
106 1HB SER 18 2HB SER 18 -2.578 -6.864 -0.999
107 2HB SER 18 3HB SER 18 -0.977 -6.529 -1.736
108 HG SER 18 HG SER 18 -1.087 -5.497 0.202
109 H LEU 19 H LEU 19 -2.709 -3.125 -1.931
110 HA LEU 19 HA LEU 19 -1.426 -1.946 -4.291
111 1HB LEU 19 2HB LEU 19 -3.513 -1.033 -3.420
112 2HB LEU 19 3HB LEU 19 -2.798 -0.712 -1.864
113 HG LEU 19 HG LEU 19 -1.494 0.562 -4.249
114 H CYS 20 H CYS 20 0.306 -0.404 -4.106
115 HA CYS 20 HA CYS 20 1.885 -0.211 -1.740
116 1HB CYS 20 2HB CYS 20 2.598 -2.364 -2.739
117 2HB CYS 20 3HB CYS 20 2.907 -1.572 -4.254
118 H ARG 21 H ARG 21 3.685 1.468 -2.372
119 HA ARG 21 HA ARG 21 3.555 2.947 -4.633
120 1HB ARG 21 2HB ARG 21 2.650 5.056 -3.980
121 2HB ARG 21 3HB ARG 21 1.396 3.848 -3.754
122 1HG ARG 21 2HG ARG 21 1.972 3.851 -1.261
123 2HG ARG 21 3HG ARG 21 3.077 5.194 -1.592
124 1HD ARG 21 2HD ARG 21 1.098 6.273 -0.924
125 2HD ARG 21 3HD ARG 21 1.076 6.393 -2.686
126 HE ARG 21 HE ARG 21 -0.246 4.008 -1.852
127 H CYS 22 H CYS 22 4.939 5.116 -3.887
128 HA CYS 22 HA CYS 22 6.434 4.546 -1.439
129 1HB CYS 22 2HB CYS 22 7.866 4.228 -3.516
130 2HB CYS 22 3HB CYS 22 7.628 5.966 -3.775
131 H TRP 23 H TRP 23 6.872 6.681 -0.398
132 HA TRP 23 HA TRP 23 5.442 8.943 -1.569
133 1HB TRP 23 2HB TRP 23 3.957 7.477 0.072
134 2HB TRP 23 3HB TRP 23 4.863 8.315 1.318
135 H HIS 24 H HIS 24 5.772 10.904 0.022
136 HA HIS 24 HA HIS 24 8.636 11.355 -0.001
137 1HB HIS 24 2HB HIS 24 6.612 12.862 -0.724
138 2HB HIS 24 3HB HIS 24 6.602 13.363 0.960
139 H GLY 25 H GLY 25 8.386 9.423 1.819
140 1HA GLY 25 3HA GLY 25 8.977 10.742 4.440
141 2HA GLY 25 2HA GLY 25 9.657 9.219 3.870
142 H GLN 26 H GLN 26 6.786 8.314 2.911
143 HA GLN 26 HA GLN 26 5.800 7.495 5.549
144 1HB GLN 26 2HB GLN 26 4.165 9.032 3.482
145 2HB GLN 26 3HB GLN 26 3.463 8.135 4.829
146 1HG GLN 26 2HG GLN 26 4.676 9.600 6.435
147 2HG GLN 26 3HG GLN 26 5.310 10.540 5.076
148 H LEU 27 H LEU 27 4.209 5.896 5.369
149 HA LEU 27 HA LEU 27 3.158 4.054 4.738
150 1HB LEU 27 2HB LEU 27 2.924 5.722 2.545
151 2HB LEU 27 3HB LEU 27 3.523 4.265 1.799
152 HG LEU 27 HG LEU 27 1.147 4.206 3.722
153 H HIS 28 H HIS 28 3.434 1.861 4.032
154 HA HIS 28 HA HIS 28 6.146 1.033 3.175
155 1HB HIS 28 2HB HIS 28 4.720 0.088 5.695
156 2HB HIS 28 3HB HIS 28 6.119 -0.711 4.995
157 H CYS 29 H CYS 29 3.413 1.094 1.964
158 HA CYS 29 HA CYS 29 2.264 0.000 0.424
159 1HB CYS 29 2HB CYS 29 4.384 -2.151 0.678
160 2HB CYS 29 3HB CYS 29 3.089 -2.122 -0.512
161 H LEU 30 H LEU 30 0.258 -0.657 0.683
162 HA LEU 30 HA LEU 30 -0.472 -3.050 1.995
163 1HB LEU 30 2HB LEU 30 -1.525 -2.198 3.968
164 2HB LEU 30 3HB LEU 30 0.109 -1.606 3.939
165 HG LEU 30 HG LEU 30 -1.129 0.535 2.771
166 HA PRO 31 HA PRO 31 -3.887 -2.215 -0.799
167 1HB PRO 31 2HB PRO 31 -5.902 -3.740 0.173
168 2HB PRO 31 3HB PRO 31 -4.411 -4.420 -0.521
169 1HG PRO 31 2HG PRO 31 -5.167 -4.170 2.363
170 2HG PRO 31 3HG PRO 31 -4.281 -5.488 1.544
171 1HD PRO 31 2HD PRO 31 -3.135 -3.401 3.028
172 2HD PRO 31 3HD PRO 31 -2.263 -4.397 1.845
173 H GLN 32 H GLN 32 -5.484 -2.334 2.388
174 HA GLN 32 HA GLN 32 -5.840 0.428 2.684
175 1HB GLN 32 2HB GLN 32 -7.568 0.309 0.958
176 2HB GLN 32 3HB GLN 32 -8.339 -1.065 1.756
177 1HG GLN 32 2HG GLN 32 -9.578 1.018 2.128
178 2HG GLN 32 3HG GLN 32 -9.004 0.361 3.652
179 H THR 33 H THR 33 -7.625 -2.628 3.356
180 HA THR 33 HA THR 33 -7.427 -2.067 6.270
181 HB THR 33 HB THR 33 -9.625 -1.895 5.020
182 H PHE 34 H PHE 34 -6.245 -4.130 3.940
183 HA PHE 34 HA PHE 34 -4.997 -5.959 3.864
184 1HB PHE 34 2HB PHE 34 -3.710 -4.537 5.315
185 2HB PHE 34 3HB PHE 34 -4.495 -5.203 6.736
186 HZ PHE 34 HZ PHE 34 -0.288 -9.225 6.012
187 H LEU 35 H LEU 35 -7.530 -6.274 6.251
188 HA LEU 35 HA LEU 35 -7.471 -8.977 6.767
189 1HB LEU 35 2HB LEU 35 -9.154 -7.207 7.545
190 2HB LEU 35 3HB LEU 35 -10.017 -7.489 6.050
191 HG LEU 35 HG LEU 35 -10.033 -10.011 6.767
192 HA PRO 36 HA PRO 36 -8.990 -10.328 2.469
193 1HB PRO 36 2HB PRO 36 -9.439 -8.635 0.412
194 2HB PRO 36 3HB PRO 36 -10.657 -8.832 1.703
195 1HG PRO 36 2HG PRO 36 -8.546 -6.654 1.462
196 2HG PRO 36 3HG PRO 36 -10.304 -6.460 1.738
197 1HD PRO 36 2HD PRO 36 -8.472 -6.486 3.766
198 2HD PRO 36 3HD PRO 36 -10.131 -7.131 3.958
199 H GLY 37 H GLY 37 -6.761 -10.624 3.259
200 1HA GLY 37 3HA GLY 37 -4.571 -11.139 2.753
201 2HA GLY 37 2HA GLY 37 -4.480 -9.378 2.909
202 H CYS 38 H CYS 38 -6.040 -10.951 0.272
203 HA CYS 38 HA CYS 38 -4.181 -9.749 -1.637
204 1HB CYS 38 2HB CYS 38 -3.149 -11.882 -0.840
205 2HB CYS 38 3HB CYS 38 -4.510 -12.762 -1.518
206 H ASP 39 H ASP 39 -6.985 -9.543 -0.911
207 HA ASP 39 HA ASP 39 -9.108 -9.673 -1.493
208 1HB ASP 39 2HB ASP 39 -9.667 -8.501 -3.520
209 2HB ASP 39 3HB ASP 39 -8.333 -7.755 -2.650
No H/Q in entry = 209
Start of MODEL 6
1 H LYS 1 H LYS 1 15.100 4.402 -0.748
2 HA LYS 1 HA LYS 1 13.676 1.790 -0.511
3 1HB LYS 1 2HB LYS 1 13.397 4.354 1.125
4 2HB LYS 1 3HB LYS 1 12.075 3.219 0.958
5 1HG LYS 1 2HG LYS 1 13.071 2.759 3.009
6 2HG LYS 1 3HG LYS 1 13.439 1.407 1.955
7 1HD LYS 1 2HD LYS 1 15.522 3.561 2.085
8 2HD LYS 1 3HD LYS 1 15.226 2.737 3.603
9 1HE LYS 1 2HE LYS 1 15.830 1.256 1.017
10 2HE LYS 1 3HE LYS 1 17.081 1.773 2.154
11 1HZ LYS 1 2HZ LYS 1 14.861 -0.065 2.779
12 2HZ LYS 1 3HZ LYS 1 16.421 -0.500 2.505
13 3HZ LYS 1 1HZ LYS 1 16.044 0.401 3.829
14 H GLU 2 H GLU 2 11.336 2.030 -1.091
15 HA GLU 2 HA GLU 2 10.997 3.066 -3.665
16 1HB GLU 2 2HB GLU 2 9.778 1.175 -2.749
17 2HB GLU 2 3HB GLU 2 8.952 2.206 -1.588
18 1HG GLU 2 2HG GLU 2 7.795 3.381 -3.453
19 2HG GLU 2 3HG GLU 2 8.653 2.362 -4.620
20 HE2 GLU 2 2HE GLU 2 6.649 -0.442 -3.806
21 H HIS 3 H HIS 3 10.718 4.829 -0.681
22 HA HIS 3 HA HIS 3 9.919 6.907 -0.150
23 1HB HIS 3 2HB HIS 3 10.749 8.734 -1.546
24 2HB HIS 3 3HB HIS 3 11.947 7.548 -1.104
25 H CYS 4 H CYS 4 9.171 8.479 -2.813
26 HA CYS 4 HA CYS 4 6.304 8.326 -2.323
27 1HB CYS 4 2HB CYS 4 8.033 9.948 -4.175
28 2HB CYS 4 3HB CYS 4 6.296 9.844 -4.456
29 H GLY 5 H GLY 5 5.958 6.127 -2.614
30 1HA GLY 5 3HA GLY 5 5.136 4.313 -3.784
31 2HA GLY 5 2HA GLY 5 6.125 4.823 -5.161
32 H SER 6 H SER 6 3.166 6.021 -3.420
33 HA SER 6 HA SER 6 1.023 6.268 -4.150
34 1HB SER 6 2HB SER 6 2.549 7.807 -6.251
35 2HB SER 6 3HB SER 6 0.779 7.820 -6.127
36 HG SER 6 HG SER 6 1.591 9.511 -4.975
37 H ILE 7 H ILE 7 2.483 3.886 -5.308
38 HA ILE 7 HA ILE 7 1.402 3.139 -7.807
39 HB ILE 7 HB ILE 7 1.796 1.326 -5.411
40 1HD1 ILE 7 3HD ILE 7 5.482 1.004 -5.934
41 2HD1 ILE 7 2HD ILE 7 4.351 -0.196 -6.562
42 3HD1 ILE 7 1HD ILE 7 4.121 0.471 -4.924
43 H LEU 8 H LEU 8 -0.477 1.890 -8.333
44 HA LEU 8 HA LEU 8 -2.693 1.869 -6.391
45 1HB LEU 8 2HB LEU 8 -2.684 4.043 -7.790
46 2HB LEU 8 3HB LEU 8 -3.207 3.001 -9.111
47 HG LEU 8 HG LEU 8 -5.123 2.240 -7.641
48 H HIS 9 H HIS 9 -3.645 0.052 -6.403
49 HA HIS 9 HA HIS 9 -4.235 -2.123 -6.780
50 1HB HIS 9 2HB HIS 9 -3.993 -2.297 -9.688
51 2HB HIS 9 3HB HIS 9 -5.350 -2.630 -8.639
52 H GLY 10 H GLY 10 -3.494 -4.084 -7.204
53 1HA GLY 10 3HA GLY 10 -1.036 -4.992 -6.963
54 2HA GLY 10 2HA GLY 10 -0.963 -4.597 -8.683
55 H THR 11 H THR 11 -3.886 -5.389 -9.134
56 HA THR 11 HA THR 11 -3.395 -8.251 -9.406
57 HB THR 11 HB THR 11 -6.068 -8.240 -8.673
58 H TRP 12 H TRP 12 -4.664 -9.244 -10.952
59 HA TRP 12 HA TRP 12 -5.874 -7.579 -13.054
60 1HB TRP 12 2HB TRP 12 -4.246 -9.577 -13.383
61 2HB TRP 12 3HB TRP 12 -5.603 -10.602 -12.942
62 H LEU 13 H LEU 13 -7.854 -9.094 -13.946
63 HA LEU 13 HA LEU 13 -10.109 -9.382 -13.774
64 1HB LEU 13 2HB LEU 13 -9.000 -11.020 -11.800
65 2HB LEU 13 3HB LEU 13 -10.135 -10.089 -10.880
66 HG LEU 13 HG LEU 13 -11.888 -10.837 -12.710
67 HA PRO 14 HA PRO 14 -11.541 -5.547 -11.879
68 1HB PRO 14 2HB PRO 14 -13.608 -5.721 -10.115
69 2HB PRO 14 3HB PRO 14 -13.762 -6.148 -11.841
70 1HG PRO 14 2HG PRO 14 -13.233 -8.023 -9.518
71 2HG PRO 14 3HG PRO 14 -14.495 -8.164 -10.786
72 1HD PRO 14 2HD PRO 14 -12.138 -9.458 -10.942
73 2HD PRO 14 3HD PRO 14 -12.911 -8.803 -12.419
74 H LYS 15 H LYS 15 -9.257 -6.755 -10.660
75 HA LYS 15 HA LYS 15 -7.713 -6.515 -9.102
76 1HB LYS 15 2HB LYS 15 -9.273 -4.120 -8.051
77 2HB LYS 15 3HB LYS 15 -7.585 -4.496 -7.783
78 1HG LYS 15 2HG LYS 15 -7.571 -2.791 -9.332
79 2HG LYS 15 3HG LYS 15 -7.172 -4.226 -10.273
80 1HD LYS 15 2HD LYS 15 -9.333 -4.213 -11.329
81 2HD LYS 15 3HD LYS 15 -9.995 -3.082 -10.122
82 1HE LYS 15 2HE LYS 15 -8.482 -1.321 -10.988
83 2HE LYS 15 3HE LYS 15 -7.832 -2.464 -12.178
84 1HZ LYS 15 2HZ LYS 15 -10.651 -1.591 -12.018
85 2HZ LYS 15 3HZ LYS 15 -9.552 -1.065 -13.125
86 3HZ LYS 15 1HZ LYS 15 -10.034 -2.637 -13.128
87 H LYS 16 H LYS 16 -7.288 -6.403 -6.644
88 HA LYS 16 HA LYS 16 -9.567 -7.489 -5.046
89 1HB LYS 16 2HB LYS 16 -6.793 -8.658 -5.331
90 2HB LYS 16 3HB LYS 16 -7.627 -8.762 -3.801
91 1HG LYS 16 2HG LYS 16 -8.211 -10.764 -4.777
92 2HG LYS 16 3HG LYS 16 -9.612 -9.756 -5.071
93 1HD LYS 16 2HD LYS 16 -8.207 -9.323 -7.410
94 2HD LYS 16 3HD LYS 16 -7.551 -10.878 -6.965
95 1HE LYS 16 2HE LYS 16 -9.444 -11.103 -8.499
96 2HE LYS 16 3HE LYS 16 -9.802 -11.874 -6.946
97 1HZ LYS 16 2HZ LYS 16 -10.662 -9.117 -7.585
98 2HZ LYS 16 3HZ LYS 16 -11.614 -10.448 -7.898
99 3HZ LYS 16 1HZ LYS 16 -11.173 -10.061 -6.359
100 H CYS 17 H CYS 17 -6.536 -5.376 -4.980
101 HA CYS 17 HA CYS 17 -7.891 -3.914 -2.949
102 1HB CYS 17 2HB CYS 17 -5.445 -5.535 -2.262
103 2HB CYS 17 3HB CYS 17 -5.435 -3.843 -1.795
104 H SER 18 H SER 18 -6.554 -1.815 -2.683
105 HA SER 18 HA SER 18 -4.451 -1.262 -4.505
106 1HB SER 18 2HB SER 18 -7.050 0.135 -5.179
107 2HB SER 18 3HB SER 18 -5.472 0.289 -5.969
108 HG SER 18 HG SER 18 -6.279 -2.281 -5.992
109 H LEU 19 H LEU 19 -3.448 -0.183 -2.756
110 HA LEU 19 HA LEU 19 -4.169 2.601 -3.050
111 1HB LEU 19 2HB LEU 19 -5.448 1.984 -0.953
112 2HB LEU 19 3HB LEU 19 -3.969 1.348 -0.252
113 HG LEU 19 HG LEU 19 -3.017 3.642 -0.159
114 H CYS 20 H CYS 20 -2.301 4.045 -2.722
115 HA CYS 20 HA CYS 20 -0.334 3.144 -0.926
116 1HB CYS 20 2HB CYS 20 0.490 2.207 -3.168
117 2HB CYS 20 3HB CYS 20 0.595 3.869 -3.718
118 H ARG 21 H ARG 21 1.224 5.060 -0.595
119 HA ARG 21 HA ARG 21 0.160 7.661 -1.550
120 1HB ARG 21 2HB ARG 21 0.293 6.755 1.340
121 2HB ARG 21 3HB ARG 21 0.590 8.447 0.932
122 1HG ARG 21 2HG ARG 21 -1.562 8.614 -0.222
123 2HG ARG 21 3HG ARG 21 -1.924 6.917 0.166
124 1HD ARG 21 2HD ARG 21 -1.877 7.407 2.564
125 2HD ARG 21 3HD ARG 21 -1.358 9.072 2.240
126 HE ARG 21 HE ARG 21 -3.831 8.399 0.915
127 H CYS 22 H CYS 22 1.849 8.664 -2.474
128 HA CYS 22 HA CYS 22 4.504 8.757 -1.343
129 1HB CYS 22 2HB CYS 22 4.101 9.496 -3.633
130 2HB CYS 22 3HB CYS 22 2.810 10.562 -3.103
131 H TRP 23 H TRP 23 3.932 8.770 0.964
132 HA TRP 23 HA TRP 23 3.438 11.604 1.807
133 1HB TRP 23 2HB TRP 23 2.868 8.986 3.165
134 2HB TRP 23 3HB TRP 23 3.409 10.344 4.138
135 H HIS 24 H HIS 24 5.758 9.244 1.190
136 HA HIS 24 HA HIS 24 7.938 9.193 1.102
137 1HB HIS 24 2HB HIS 24 7.576 11.536 0.241
138 2HB HIS 24 3HB HIS 24 7.926 12.147 1.847
139 H GLY 25 H GLY 25 6.954 10.952 4.063
140 1HA GLY 25 3HA GLY 25 7.729 10.680 6.255
141 2HA GLY 25 2HA GLY 25 9.025 9.612 5.691
142 H GLN 26 H GLN 26 5.979 8.718 4.188
143 HA GLN 26 HA GLN 26 6.091 6.302 5.765
144 1HB GLN 26 2HB GLN 26 4.436 7.636 7.001
145 2HB GLN 26 3HB GLN 26 3.515 7.930 5.518
146 1HG GLN 26 2HG GLN 26 2.830 5.647 5.372
147 2HG GLN 26 3HG GLN 26 4.096 5.114 6.488
148 H LEU 27 H LEU 27 5.169 4.614 4.670
149 HA LEU 27 HA LEU 27 4.024 4.923 2.055
150 1HB LEU 27 2HB LEU 27 6.376 3.159 2.772
151 2HB LEU 27 3HB LEU 27 5.184 2.532 1.641
152 HG LEU 27 HG LEU 27 6.552 5.201 1.159
153 H HIS 28 H HIS 28 4.903 2.105 3.999
154 HA HIS 28 HA HIS 28 3.823 0.199 4.330
155 1HB HIS 28 2HB HIS 28 1.392 1.896 5.020
156 2HB HIS 28 3HB HIS 28 1.394 0.142 4.997
157 H CYS 29 H CYS 29 1.284 2.176 2.836
158 HA CYS 29 HA CYS 29 -0.024 1.913 1.026
159 1HB CYS 29 2HB CYS 29 2.403 0.576 -0.206
160 2HB CYS 29 3HB CYS 29 0.961 1.137 -1.049
161 H LEU 30 H LEU 30 -1.139 0.364 -0.364
162 HA LEU 30 HA LEU 30 -0.979 -2.486 0.296
163 1HB LEU 30 2HB LEU 30 -3.407 -0.806 0.781
164 2HB LEU 30 3HB LEU 30 -3.470 -2.571 0.530
165 HG LEU 30 HG LEU 30 -2.029 -1.232 2.847
166 HA PRO 31 HA PRO 31 -1.900 -1.034 -4.085
167 1HB PRO 31 2HB PRO 31 0.222 -2.256 -5.345
168 2HB PRO 31 3HB PRO 31 0.294 -0.628 -4.605
169 1HG PRO 31 2HG PRO 31 1.223 -3.254 -3.432
170 2HG PRO 31 3HG PRO 31 2.045 -1.658 -3.398
171 1HD PRO 31 2HD PRO 31 0.521 -2.645 -1.279
172 2HD PRO 31 3HD PRO 31 0.655 -0.898 -1.635
173 H GLN 32 H GLN 32 -0.723 -4.143 -2.830
174 HA GLN 32 HA GLN 32 -3.318 -5.252 -3.442
175 1HB GLN 32 2HB GLN 32 -2.043 -6.123 -5.299
176 2HB GLN 32 3HB GLN 32 -0.754 -6.707 -4.250
177 1HG GLN 32 2HG GLN 32 -2.386 -8.435 -5.152
178 2HG GLN 32 3HG GLN 32 -2.123 -8.486 -3.425
179 H THR 33 H THR 33 -0.769 -7.330 -2.207
180 HA THR 33 HA THR 33 -1.901 -6.972 0.522
181 HB THR 33 HB THR 33 -0.735 -9.504 -0.679
182 H PHE 34 H PHE 34 -0.109 -5.181 0.360
183 HA PHE 34 HA PHE 34 2.630 -6.051 0.819
184 1HB PHE 34 2HB PHE 34 1.868 -3.770 0.010
185 2HB PHE 34 3HB PHE 34 1.325 -3.438 1.650
186 HZ PHE 34 HZ PHE 34 7.051 -2.311 2.264
187 H LEU 35 H LEU 35 -0.253 -5.933 2.737
188 HA LEU 35 HA LEU 35 1.180 -7.094 5.003
189 1HB LEU 35 2HB LEU 35 0.546 -4.672 5.542
190 2HB LEU 35 3HB LEU 35 -1.126 -5.107 5.202
191 HG LEU 35 HG LEU 35 -0.907 -6.874 7.069
192 HA PRO 36 HA PRO 36 -2.138 -9.942 3.823
193 1HB PRO 36 2HB PRO 36 -2.072 -11.781 5.842
194 2HB PRO 36 3HB PRO 36 -0.782 -11.628 4.616
195 1HG PRO 36 2HG PRO 36 -0.843 -10.388 7.390
196 2HG PRO 36 3HG PRO 36 0.466 -11.366 6.646
197 1HD PRO 36 2HD PRO 36 0.534 -8.661 6.607
198 2HD PRO 36 3HD PRO 36 1.078 -9.600 5.186
199 H GLY 37 H GLY 37 -3.341 -7.881 4.235
200 1HA GLY 37 3HA GLY 37 -4.701 -6.782 6.070
201 2HA GLY 37 2HA GLY 37 -5.572 -8.341 6.165
202 H CYS 38 H CYS 38 -5.121 -8.465 3.066
203 HA CYS 38 HA CYS 38 -7.185 -6.572 2.205
204 1HB CYS 38 2HB CYS 38 -4.752 -5.583 2.615
205 2HB CYS 38 3HB CYS 38 -4.425 -6.281 1.038
206 H ASP 39 H ASP 39 -7.735 -9.034 2.025
207 HA ASP 39 HA ASP 39 -6.763 -10.503 -0.263
208 1HB ASP 39 2HB ASP 39 -8.621 -11.990 0.164
209 2HB ASP 39 3HB ASP 39 -7.863 -11.568 1.700
No H/Q in entry = 209
Start of MODEL 7
1 H LYS 1 H LYS 1 7.468 17.816 5.887
2 HA LYS 1 HA LYS 1 8.044 15.053 5.869
3 1HB LYS 1 2HB LYS 1 6.008 14.803 7.200
4 2HB LYS 1 3HB LYS 1 7.022 16.116 7.741
5 1HG LYS 1 2HG LYS 1 4.822 16.852 7.983
6 2HG LYS 1 3HG LYS 1 5.462 17.757 6.615
7 1HD LYS 1 2HD LYS 1 4.143 16.451 5.050
8 2HD LYS 1 3HD LYS 1 3.793 15.230 6.280
9 1HE LYS 1 2HE LYS 1 1.819 16.561 5.938
10 2HE LYS 1 3HE LYS 1 2.451 16.840 7.564
11 1HZ LYS 1 2HZ LYS 1 2.819 18.640 5.249
12 2HZ LYS 1 3HZ LYS 1 1.789 18.883 6.505
13 3HZ LYS 1 1HZ LYS 1 3.409 18.905 6.767
14 H GLU 2 H GLU 2 7.522 16.118 3.147
15 HA GLU 2 HA GLU 2 5.034 15.024 2.148
16 1HB GLU 2 2HB GLU 2 6.346 16.958 1.161
17 2HB GLU 2 3HB GLU 2 7.532 15.790 0.578
18 1HG GLU 2 2HG GLU 2 5.657 14.658 -0.713
19 2HG GLU 2 3HG GLU 2 4.566 15.919 -0.143
20 HE2 GLU 2 2HE GLU 2 5.499 17.864 -2.836
21 H HIS 3 H HIS 3 8.431 14.042 1.436
22 HA HIS 3 HA HIS 3 9.404 12.012 0.918
23 1HB HIS 3 2HB HIS 3 6.971 10.422 1.685
24 2HB HIS 3 3HB HIS 3 8.666 9.970 1.721
25 H CYS 4 H CYS 4 8.534 9.914 -0.715
26 HA CYS 4 HA CYS 4 7.614 11.436 -3.070
27 1HB CYS 4 2HB CYS 4 8.318 9.302 -4.264
28 2HB CYS 4 3HB CYS 4 9.566 10.286 -3.535
29 H GLY 5 H GLY 5 6.272 9.639 -4.605
30 1HA GLY 5 3HA GLY 5 3.684 9.277 -3.930
31 2HA GLY 5 2HA GLY 5 4.500 7.955 -3.068
32 H SER 6 H SER 6 4.235 6.020 -4.409
33 HA SER 6 HA SER 6 4.422 6.329 -7.300
34 1HB SER 6 2HB SER 6 5.112 3.876 -7.119
35 2HB SER 6 3HB SER 6 6.324 5.051 -6.577
36 HG SER 6 HG SER 6 5.830 3.158 -5.167
37 H ILE 7 H ILE 7 3.056 4.904 -8.314
38 HA ILE 7 HA ILE 7 0.449 4.396 -6.966
39 HB ILE 7 HB ILE 7 0.914 5.015 -9.888
40 1HD1 ILE 7 1HD ILE 7 -0.971 7.200 -7.345
41 2HD1 ILE 7 2HD ILE 7 0.550 6.776 -6.531
42 3HD1 ILE 7 3HD ILE 7 0.366 8.365 -7.286
43 H LEU 8 H LEU 8 -0.829 2.623 -7.750
44 HA LEU 8 HA LEU 8 0.162 0.511 -9.449
45 1HB LEU 8 2HB LEU 8 1.347 0.463 -7.064
46 2HB LEU 8 3HB LEU 8 -0.175 -0.255 -6.552
47 HG LEU 8 HG LEU 8 0.196 -2.036 -8.313
48 H HIS 9 H HIS 9 -1.394 -1.496 -8.580
49 HA HIS 9 HA HIS 9 -3.985 -1.744 -8.013
50 1HB HIS 9 2HB HIS 9 -5.308 -1.218 -10.009
51 2HB HIS 9 3HB HIS 9 -4.779 0.205 -9.141
52 H GLY 10 H GLY 10 -3.696 -3.793 -7.932
53 1HA GLY 10 3HA GLY 10 -2.098 -5.245 -9.916
54 2HA GLY 10 2HA GLY 10 -3.821 -5.677 -9.906
55 H THR 11 H THR 11 -4.531 -7.092 -8.304
56 HA THR 11 HA THR 11 -2.534 -8.070 -6.378
57 HB THR 11 HB THR 11 -5.431 -7.751 -5.577
58 H TRP 12 H TRP 12 -2.304 -10.143 -7.056
59 HA TRP 12 HA TRP 12 -4.246 -11.356 -8.804
60 1HB TRP 12 2HB TRP 12 -1.559 -11.537 -8.612
61 2HB TRP 12 3HB TRP 12 -1.969 -12.929 -7.625
62 H LEU 13 H LEU 13 -4.627 -13.830 -8.367
63 HA LEU 13 HA LEU 13 -6.274 -15.122 -7.547
64 1HB LEU 13 2HB LEU 13 -4.729 -14.529 -5.170
65 2HB LEU 13 3HB LEU 13 -6.415 -14.403 -4.752
66 HG LEU 13 HG LEU 13 -6.731 -16.735 -5.794
67 HA PRO 14 HA PRO 14 -9.703 -12.244 -7.383
68 1HB PRO 14 2HB PRO 14 -11.724 -13.191 -5.850
69 2HB PRO 14 3HB PRO 14 -11.182 -14.026 -7.333
70 1HG PRO 14 2HG PRO 14 -10.400 -14.649 -4.471
71 2HG PRO 14 3HG PRO 14 -10.968 -15.785 -5.735
72 1HD PRO 14 2HD PRO 14 -8.337 -15.371 -5.156
73 2HD PRO 14 3HD PRO 14 -8.879 -15.764 -6.818
74 H LYS 15 H LYS 15 -7.805 -11.029 -6.185
75 HA LYS 15 HA LYS 15 -8.756 -10.102 -3.536
76 1HB LYS 15 2HB LYS 15 -6.137 -9.932 -4.920
77 2HB LYS 15 3HB LYS 15 -6.631 -8.598 -3.876
78 1HG LYS 15 2HG LYS 15 -5.296 -10.241 -2.628
79 2HG LYS 15 3HG LYS 15 -6.885 -9.960 -1.958
80 1HD LYS 15 2HD LYS 15 -6.617 -12.300 -3.803
81 2HD LYS 15 3HD LYS 15 -5.739 -12.413 -2.289
82 1HE LYS 15 2HE LYS 15 -8.729 -11.842 -2.499
83 2HE LYS 15 3HE LYS 15 -8.020 -13.423 -2.185
84 1HZ LYS 15 2HZ LYS 15 -7.702 -11.065 -0.427
85 2HZ LYS 15 3HZ LYS 15 -8.700 -12.334 -0.146
86 3HZ LYS 15 1HZ LYS 15 -7.075 -12.555 -0.150
87 H LYS 16 H LYS 16 -7.349 -8.736 -6.549
88 HA LYS 16 HA LYS 16 -7.481 -6.866 -7.731
89 1HB LYS 16 2HB LYS 16 -9.649 -7.874 -8.379
90 2HB LYS 16 3HB LYS 16 -10.448 -6.925 -7.118
91 1HG LYS 16 2HG LYS 16 -9.577 -4.816 -8.266
92 2HG LYS 16 3HG LYS 16 -8.910 -5.851 -9.530
93 1HD LYS 16 2HD LYS 16 -10.974 -4.955 -10.326
94 2HD LYS 16 3HD LYS 16 -11.250 -6.676 -10.003
95 1HE LYS 16 2HE LYS 16 -12.306 -6.097 -7.832
96 2HE LYS 16 3HE LYS 16 -11.952 -4.386 -8.101
97 1HZ LYS 16 2HZ LYS 16 -13.735 -6.038 -9.778
98 2HZ LYS 16 3HZ LYS 16 -14.220 -4.927 -8.667
99 3HZ LYS 16 1HZ LYS 16 -13.411 -4.440 -10.012
100 H CYS 17 H CYS 17 -6.142 -5.300 -6.554
101 HA CYS 17 HA CYS 17 -7.431 -3.192 -5.241
102 1HB CYS 17 2HB CYS 17 -7.396 -5.257 -3.564
103 2HB CYS 17 3HB CYS 17 -5.692 -4.908 -3.427
104 H SER 18 H SER 18 -4.853 -2.874 -3.707
105 HA SER 18 HA SER 18 -2.646 -2.522 -3.893
106 1HB SER 18 2HB SER 18 -2.607 -3.116 -6.759
107 2HB SER 18 3HB SER 18 -1.244 -2.759 -5.722
108 HG SER 18 HG SER 18 -1.812 -5.069 -6.140
109 H LEU 19 H LEU 19 -1.596 -0.553 -3.869
110 HA LEU 19 HA LEU 19 -2.400 1.427 -5.862
111 1HB LEU 19 2HB LEU 19 -4.104 1.521 -3.977
112 2HB LEU 19 3HB LEU 19 -2.834 2.066 -2.903
113 HG LEU 19 HG LEU 19 -4.461 3.754 -3.878
114 H CYS 20 H CYS 20 -0.372 0.762 -2.964
115 HA CYS 20 HA CYS 20 1.778 1.199 -2.566
116 1HB CYS 20 2HB CYS 20 2.029 0.602 -5.057
117 2HB CYS 20 3HB CYS 20 2.237 2.338 -5.309
118 H ARG 21 H ARG 21 3.470 3.108 -2.538
119 HA ARG 21 HA ARG 21 2.548 5.795 -2.604
120 1HB ARG 21 2HB ARG 21 2.147 6.230 -0.174
121 2HB ARG 21 3HB ARG 21 0.905 5.292 -0.933
122 1HG ARG 21 2HG ARG 21 1.875 3.188 0.012
123 2HG ARG 21 3HG ARG 21 3.166 4.123 0.752
124 1HD ARG 21 2HD ARG 21 1.560 3.748 2.464
125 2HD ARG 21 3HD ARG 21 1.410 5.445 2.027
126 HE ARG 21 HE ARG 21 -0.450 3.215 1.468
127 H CYS 22 H CYS 22 5.047 4.702 -3.275
128 HA CYS 22 HA CYS 22 7.216 4.489 -2.369
129 1HB CYS 22 2HB CYS 22 6.935 5.774 -4.394
130 2HB CYS 22 3HB CYS 22 6.751 7.238 -3.447
131 H TRP 23 H TRP 23 7.982 4.443 -0.224
132 HA TRP 23 HA TRP 23 7.449 6.731 1.570
133 1HB TRP 23 2HB TRP 23 8.661 3.976 1.921
134 2HB TRP 23 3HB TRP 23 9.042 5.226 3.057
135 H HIS 24 H HIS 24 9.221 7.565 2.737
136 HA HIS 24 HA HIS 24 11.389 8.811 1.521
137 1HB HIS 24 2HB HIS 24 12.284 8.419 4.068
138 2HB HIS 24 3HB HIS 24 11.133 9.641 3.595
139 H GLY 25 H GLY 25 12.537 7.426 0.086
140 1HA GLY 25 3HA GLY 25 14.669 5.880 1.290
141 2HA GLY 25 2HA GLY 25 14.451 6.265 -0.414
142 H GLN 26 H GLN 26 11.500 4.838 0.144
143 HA GLN 26 HA GLN 26 12.495 2.148 -0.559
144 1HB GLN 26 2HB GLN 26 10.797 2.798 1.895
145 2HB GLN 26 3HB GLN 26 10.852 1.191 1.154
146 1HG GLN 26 2HG GLN 26 13.194 0.947 1.627
147 2HG GLN 26 3HG GLN 26 13.298 2.608 2.235
148 H LEU 27 H LEU 27 11.081 1.142 -2.007
149 HA LEU 27 HA LEU 27 9.037 2.735 -3.046
150 1HB LEU 27 2HB LEU 27 8.542 1.107 -4.602
151 2HB LEU 27 3HB LEU 27 10.259 1.046 -4.323
152 HG LEU 27 HG LEU 27 9.593 -1.133 -4.667
153 H HIS 28 H HIS 28 8.965 0.420 -0.553
154 HA HIS 28 HA HIS 28 7.263 -0.514 0.763
155 1HB HIS 28 2HB HIS 28 8.617 1.430 1.685
156 2HB HIS 28 3HB HIS 28 7.207 2.439 1.363
157 H CYS 29 H CYS 29 5.791 -0.796 -1.344
158 HA CYS 29 HA CYS 29 3.502 0.869 -1.529
159 1HB CYS 29 2HB CYS 29 3.818 -2.105 -2.170
160 2HB CYS 29 3HB CYS 29 2.457 -1.114 -2.663
161 H LEU 30 H LEU 30 1.237 0.213 -1.022
162 HA LEU 30 HA LEU 30 0.930 -2.071 0.592
163 1HB LEU 30 2HB LEU 30 -0.182 -1.235 2.427
164 2HB LEU 30 3HB LEU 30 1.231 -0.213 2.239
165 HG LEU 30 HG LEU 30 -0.302 1.520 1.141
166 HA PRO 31 HA PRO 31 -2.505 -1.678 -2.168
167 1HB PRO 31 2HB PRO 31 -3.708 -4.104 -1.924
168 2HB PRO 31 3HB PRO 31 -1.995 -3.957 -2.431
169 1HG PRO 31 2HG PRO 31 -3.064 -4.600 0.299
170 2HG PRO 31 3HG PRO 31 -1.696 -5.340 -0.608
171 1HD PRO 31 2HD PRO 31 -1.440 -3.335 1.346
172 2HD PRO 31 3HD PRO 31 -0.253 -3.706 0.060
173 H GLN 32 H GLN 32 -3.712 -2.756 0.995
174 HA GLN 32 HA GLN 32 -5.522 -2.004 2.226
175 1HB GLN 32 2HB GLN 32 -6.866 -1.070 -0.348
176 2HB GLN 32 3HB GLN 32 -7.655 -1.183 1.186
177 1HG GLN 32 2HG GLN 32 -5.273 0.600 0.639
178 2HG GLN 32 3HG GLN 32 -6.958 1.101 0.754
179 H THR 33 H THR 33 -4.998 -4.457 0.012
180 HA THR 33 HA THR 33 -7.360 -5.962 0.698
181 HB THR 33 HB THR 33 -4.554 -6.963 0.101
182 H PHE 34 H PHE 34 -4.090 -6.717 1.905
183 HA PHE 34 HA PHE 34 -3.321 -7.568 3.771
184 1HB PHE 34 2HB PHE 34 -3.417 -5.528 4.810
185 2HB PHE 34 3HB PHE 34 -5.152 -5.494 4.918
186 HZ PHE 34 HZ PHE 34 -4.104 -8.113 10.062
187 H LEU 35 H LEU 35 -6.902 -7.612 4.050
188 HA LEU 35 HA LEU 35 -6.777 -10.557 4.358
189 1HB LEU 35 2HB LEU 35 -8.075 -8.667 6.324
190 2HB LEU 35 3HB LEU 35 -8.683 -10.308 6.115
191 HG LEU 35 HG LEU 35 -5.807 -9.627 6.878
192 HA PRO 36 HA PRO 36 -11.126 -9.531 2.390
193 1HB PRO 36 2HB PRO 36 -11.973 -6.998 2.200
194 2HB PRO 36 3HB PRO 36 -12.223 -7.930 3.710
195 1HG PRO 36 2HG PRO 36 -10.036 -5.924 3.094
196 2HG PRO 36 3HG PRO 36 -11.060 -6.034 4.565
197 1HD PRO 36 2HD PRO 36 -8.541 -7.091 4.385
198 2HD PRO 36 3HD PRO 36 -9.814 -7.837 5.391
199 H GLY 37 H GLY 37 -11.381 -9.200 0.180
200 1HA GLY 37 3HA GLY 37 -10.775 -8.586 -1.972
201 2HA GLY 37 2HA GLY 37 -9.188 -9.177 -1.448
202 H CYS 38 H CYS 38 -10.752 -6.359 -0.087
203 HA CYS 38 HA CYS 38 -8.766 -4.513 -0.633
204 1HB CYS 38 2HB CYS 38 -9.532 -5.033 -3.070
205 2HB CYS 38 3HB CYS 38 -10.964 -4.114 -2.693
206 H ASP 39 H ASP 39 -9.451 -4.100 1.457
207 HA ASP 39 HA ASP 39 -11.259 -1.856 1.534
208 1HB ASP 39 2HB ASP 39 -12.974 -3.513 1.977
209 2HB ASP 39 3HB ASP 39 -12.010 -4.252 3.256
No H/Q in entry = 209
Start of MODEL 8
1 H LYS 1 H LYS 1 14.004 15.688 -2.593
2 HA LYS 1 HA LYS 1 12.650 15.131 -0.076
3 1HB LYS 1 2HB LYS 1 11.594 17.290 0.195
4 2HB LYS 1 3HB LYS 1 13.322 17.386 0.406
5 1HG LYS 1 2HG LYS 1 12.026 18.163 -2.242
6 2HG LYS 1 3HG LYS 1 12.054 19.253 -0.857
7 1HD LYS 1 2HD LYS 1 14.588 19.013 -0.787
8 2HD LYS 1 3HD LYS 1 14.476 18.122 -2.308
9 1HE LYS 1 2HE LYS 1 15.014 20.373 -2.864
10 2HE LYS 1 3HE LYS 1 13.339 20.093 -3.355
11 1HZ LYS 1 2HZ LYS 1 14.206 21.481 -0.891
12 2HZ LYS 1 3HZ LYS 1 13.608 22.205 -2.240
13 3HZ LYS 1 1HZ LYS 1 12.641 21.229 -1.336
14 H GLU 2 H GLU 2 12.649 14.141 -2.864
15 HA GLU 2 HA GLU 2 10.132 14.761 -4.093
16 1HB GLU 2 2HB GLU 2 10.536 12.787 -5.455
17 2HB GLU 2 3HB GLU 2 11.954 13.807 -5.394
18 1HG GLU 2 2HG GLU 2 11.778 11.465 -3.471
19 2HG GLU 2 3HG GLU 2 12.078 11.160 -5.174
20 HE2 GLU 2 2HE GLU 2 15.437 11.689 -4.634
21 H HIS 3 H HIS 3 8.626 12.666 -4.537
22 HA HIS 3 HA HIS 3 7.768 11.546 -1.946
23 1HB HIS 3 2HB HIS 3 6.648 13.789 -2.500
24 2HB HIS 3 3HB HIS 3 5.944 13.008 -3.910
25 H CYS 4 H CYS 4 5.975 9.886 -2.429
26 HA CYS 4 HA CYS 4 6.530 8.423 -4.945
27 1HB CYS 4 2HB CYS 4 6.601 6.378 -3.418
28 2HB CYS 4 3HB CYS 4 8.006 7.424 -3.496
29 H GLY 5 H GLY 5 4.488 7.448 -2.110
30 1HA GLY 5 3HA GLY 5 2.036 8.242 -3.327
31 2HA GLY 5 2HA GLY 5 2.226 7.213 -1.909
32 H SER 6 H SER 6 3.279 4.730 -2.782
33 HA SER 6 HA SER 6 2.777 4.583 -5.632
34 1HB SER 6 2HB SER 6 4.103 2.623 -3.774
35 2HB SER 6 3HB SER 6 4.275 2.777 -5.545
36 HG SER 6 HG SER 6 6.032 3.773 -4.596
37 H ILE 7 H ILE 7 0.253 4.391 -5.216
38 HA ILE 7 HA ILE 7 -0.826 2.054 -4.192
39 HB ILE 7 HB ILE 7 -1.983 3.208 -6.644
40 1HD1 ILE 7 3HD ILE 7 -1.610 6.698 -5.813
41 2HD1 ILE 7 1HD ILE 7 -0.542 5.447 -6.474
42 3HD1 ILE 7 2HD ILE 7 -2.191 5.616 -7.093
43 H LEU 8 H LEU 8 -0.841 0.025 -4.805
44 HA LEU 8 HA LEU 8 0.336 -0.873 -7.411
45 1HB LEU 8 2HB LEU 8 1.421 -1.734 -5.480
46 2HB LEU 8 3HB LEU 8 -0.106 -2.405 -4.865
47 HG LEU 8 HG LEU 8 -0.176 -3.784 -6.982
48 H HIS 9 H HIS 9 -2.481 -1.896 -5.368
49 HA HIS 9 HA HIS 9 -4.542 -2.571 -5.934
50 1HB HIS 9 2HB HIS 9 -5.759 -0.940 -7.156
51 2HB HIS 9 3HB HIS 9 -4.574 -0.195 -6.094
52 H GLY 10 H GLY 10 -2.713 -4.284 -7.408
53 1HA GLY 10 3HA GLY 10 -2.593 -4.615 -9.979
54 2HA GLY 10 2HA GLY 10 -4.326 -4.973 -9.815
55 H THR 11 H THR 11 -4.644 -7.183 -9.801
56 HA THR 11 HA THR 11 -2.801 -8.982 -8.437
57 HB THR 11 HB THR 11 -5.678 -9.258 -7.669
58 H TRP 12 H TRP 12 -3.706 -11.315 -8.848
59 HA TRP 12 HA TRP 12 -4.765 -11.616 -11.533
60 1HB TRP 12 2HB TRP 12 -4.772 -14.044 -10.861
61 2HB TRP 12 3HB TRP 12 -3.214 -13.251 -10.775
62 H LEU 13 H LEU 13 -6.724 -13.149 -11.732
63 HA LEU 13 HA LEU 13 -8.959 -13.100 -11.899
64 1HB LEU 13 2HB LEU 13 -8.539 -13.384 -9.079
65 2HB LEU 13 3HB LEU 13 -9.758 -12.168 -9.248
66 HG LEU 13 HG LEU 13 -10.999 -13.828 -10.812
67 HA PRO 14 HA PRO 14 -9.806 -8.767 -12.650
68 1HB PRO 14 2HB PRO 14 -12.297 -7.967 -11.931
69 2HB PRO 14 3HB PRO 14 -12.008 -9.207 -13.182
70 1HG PRO 14 2HG PRO 14 -12.650 -9.662 -10.252
71 2HG PRO 14 3HG PRO 14 -13.451 -10.388 -11.683
72 1HD PRO 14 2HD PRO 14 -11.499 -11.652 -10.308
73 2HD PRO 14 3HD PRO 14 -11.628 -11.831 -12.083
74 H LYS 15 H LYS 15 -8.102 -8.875 -10.856
75 HA LYS 15 HA LYS 15 -6.955 -8.257 -9.147
76 1HB LYS 15 2HB LYS 15 -6.847 -5.945 -8.487
77 2HB LYS 15 3HB LYS 15 -7.056 -6.064 -10.227
78 1HG LYS 15 2HG LYS 15 -9.335 -5.360 -10.118
79 2HG LYS 15 3HG LYS 15 -9.420 -5.598 -8.362
80 1HD LYS 15 2HD LYS 15 -7.878 -3.706 -8.027
81 2HD LYS 15 3HD LYS 15 -7.776 -3.472 -9.791
82 1HE LYS 15 2HE LYS 15 -10.210 -3.096 -9.901
83 2HE LYS 15 3HE LYS 15 -10.368 -3.419 -8.171
84 1HZ LYS 15 2HZ LYS 15 -8.865 -1.167 -9.344
85 2HZ LYS 15 3HZ LYS 15 -10.352 -1.068 -8.651
86 3HZ LYS 15 1HZ LYS 15 -9.052 -1.460 -7.729
87 H LYS 16 H LYS 16 -6.791 -7.530 -6.842
88 HA LYS 16 HA LYS 16 -9.317 -7.667 -5.313
89 1HB LYS 16 2HB LYS 16 -7.900 -9.839 -5.288
90 2HB LYS 16 3HB LYS 16 -6.768 -8.941 -4.263
91 1HG LYS 16 2HG LYS 16 -8.543 -8.583 -2.588
92 2HG LYS 16 3HG LYS 16 -9.757 -9.258 -3.690
93 1HD LYS 16 2HD LYS 16 -8.633 -11.457 -3.598
94 2HD LYS 16 3HD LYS 16 -7.414 -10.789 -2.484
95 1HE LYS 16 2HE LYS 16 -9.180 -10.249 -0.848
96 2HE LYS 16 3HE LYS 16 -10.425 -10.821 -1.968
97 1HZ LYS 16 2HZ LYS 16 -8.310 -12.504 -0.779
98 2HZ LYS 16 3HZ LYS 16 -9.891 -12.480 -0.321
99 3HZ LYS 16 1HZ LYS 16 -9.480 -13.025 -1.816
100 H CYS 17 H CYS 17 -7.347 -5.563 -6.405
101 HA CYS 17 HA CYS 17 -6.622 -3.567 -5.889
102 1HB CYS 17 2HB CYS 17 -9.033 -3.662 -4.869
103 2HB CYS 17 3HB CYS 17 -8.174 -3.474 -3.340
104 H SER 18 H SER 18 -4.809 -5.359 -5.401
105 HA SER 18 HA SER 18 -3.295 -5.842 -3.406
106 1HB SER 18 2HB SER 18 -2.395 -4.426 -5.867
107 2HB SER 18 3HB SER 18 -1.352 -5.355 -4.804
108 HG SER 18 HG SER 18 -2.285 -6.545 -6.669
109 H LEU 19 H LEU 19 -2.676 -4.885 -1.549
110 HA LEU 19 HA LEU 19 -2.581 -2.056 -1.221
111 1HB LEU 19 2HB LEU 19 -3.210 -3.714 0.500
112 2HB LEU 19 3HB LEU 19 -1.570 -4.322 0.546
113 HG LEU 19 HG LEU 19 -2.450 -1.518 1.374
114 H CYS 20 H CYS 20 -1.116 -0.819 -2.109
115 HA CYS 20 HA CYS 20 1.421 -0.941 -0.856
116 1HB CYS 20 2HB CYS 20 1.891 -1.965 -3.124
117 2HB CYS 20 3HB CYS 20 1.357 -0.444 -3.844
118 H ARG 21 H ARG 21 2.327 1.376 -1.046
119 HA ARG 21 HA ARG 21 1.199 3.558 -2.060
120 1HB ARG 21 2HB ARG 21 0.275 3.090 0.817
121 2HB ARG 21 3HB ARG 21 0.594 4.699 0.189
122 1HG ARG 21 2HG ARG 21 -1.059 3.890 -1.781
123 2HG ARG 21 3HG ARG 21 -1.641 2.840 -0.482
124 1HD ARG 21 2HD ARG 21 -3.011 4.763 -0.396
125 2HD ARG 21 3HD ARG 21 -1.902 4.915 0.957
126 HE ARG 21 HE ARG 21 -0.841 6.697 -0.049
127 H CYS 22 H CYS 22 2.478 5.447 -0.791
128 HA CYS 22 HA CYS 22 4.673 4.492 0.800
129 1HB CYS 22 2HB CYS 22 5.628 3.947 -1.254
130 2HB CYS 22 3HB CYS 22 5.166 5.471 -1.991
131 H TRP 23 H TRP 23 4.455 5.954 2.459
132 HA TRP 23 HA TRP 23 3.149 8.520 1.809
133 1HB TRP 23 2HB TRP 23 2.845 6.808 3.981
134 2HB TRP 23 3HB TRP 23 3.762 8.134 4.662
135 H HIS 24 H HIS 24 4.821 9.364 0.666
136 HA HIS 24 HA HIS 24 6.473 10.823 0.234
137 1HB HIS 24 2HB HIS 24 5.517 11.882 2.409
138 2HB HIS 24 3HB HIS 24 6.978 11.286 3.179
139 H GLY 25 H GLY 25 7.175 8.161 2.249
140 1HA GLY 25 3HA GLY 25 10.025 8.216 2.331
141 2HA GLY 25 2HA GLY 25 9.458 7.225 0.975
142 H GLN 26 H GLN 26 7.369 7.444 3.865
143 HA GLN 26 HA GLN 26 8.301 4.906 4.986
144 1HB GLN 26 2HB GLN 26 5.919 6.708 5.612
145 2HB GLN 26 3HB GLN 26 6.398 5.279 6.537
146 1HG GLN 26 2HG GLN 26 8.622 6.346 6.992
147 2HG GLN 26 3HG GLN 26 8.047 7.820 6.198
148 H LEU 27 H LEU 27 6.697 3.271 5.384
149 HA LEU 27 HA LEU 27 5.345 1.562 4.771
150 1HB LEU 27 2HB LEU 27 4.094 3.271 2.601
151 2HB LEU 27 3HB LEU 27 3.505 1.741 3.215
152 HG LEU 27 HG LEU 27 3.611 4.328 4.815
153 H HIS 28 H HIS 28 4.651 0.555 2.231
154 HA HIS 28 HA HIS 28 6.331 0.594 0.134
155 1HB HIS 28 2HB HIS 28 7.636 -1.602 0.498
156 2HB HIS 28 3HB HIS 28 8.274 -0.153 1.226
157 H CYS 29 H CYS 29 6.067 -1.715 -1.053
158 HA CYS 29 HA CYS 29 3.225 -2.191 -1.075
159 1HB CYS 29 2HB CYS 29 5.479 -3.631 -2.528
160 2HB CYS 29 3HB CYS 29 3.759 -3.762 -2.869
161 H LEU 30 H LEU 30 2.053 -3.731 -0.126
162 HA LEU 30 HA LEU 30 3.243 -6.261 0.693
163 1HB LEU 30 2HB LEU 30 2.024 -4.341 2.634
164 2HB LEU 30 3HB LEU 30 2.124 -6.099 2.912
165 HG LEU 30 HG LEU 30 4.507 -4.243 2.632
166 HA PRO 31 HA PRO 31 -1.069 -6.212 -1.041
167 1HB PRO 31 2HB PRO 31 -0.722 -7.927 -3.120
168 2HB PRO 31 3HB PRO 31 -0.086 -6.256 -3.147
169 1HG PRO 31 2HG PRO 31 1.405 -8.793 -2.439
170 2HG PRO 31 3HG PRO 31 1.900 -7.491 -3.576
171 1HD PRO 31 2HD PRO 31 2.709 -7.623 -0.896
172 2HD PRO 31 3HD PRO 31 2.539 -6.070 -1.778
173 H GLN 32 H GLN 32 0.323 -8.060 1.074
174 HA GLN 32 HA GLN 32 -0.831 -10.729 0.833
175 1HB GLN 32 2HB GLN 32 0.719 -9.190 2.955
176 2HB GLN 32 3HB GLN 32 0.249 -10.881 3.150
177 1HG GLN 32 2HG GLN 32 1.765 -11.678 1.619
178 2HG GLN 32 3HG GLN 32 1.759 -10.216 0.642
179 H THR 33 H THR 33 -2.808 -8.819 0.611
180 HA THR 33 HA THR 33 -4.430 -7.583 1.301
181 HB THR 33 HB THR 33 -5.040 -10.065 1.824
182 H PHE 34 H PHE 34 -2.932 -8.624 4.362
183 HA PHE 34 HA PHE 34 -2.600 -7.636 6.340
184 1HB PHE 34 2HB PHE 34 -0.604 -7.039 5.241
185 2HB PHE 34 3HB PHE 34 -1.356 -5.698 4.400
186 HZ PHE 34 HZ PHE 34 0.135 -2.866 9.313
187 H LEU 35 H LEU 35 -3.473 -4.665 4.562
188 HA LEU 35 HA LEU 35 -5.759 -4.203 6.337
189 1HB LEU 35 2HB LEU 35 -3.752 -3.179 7.487
190 2HB LEU 35 3HB LEU 35 -3.517 -2.157 6.076
191 HG LEU 35 HG LEU 35 -5.894 -1.252 6.479
192 HA PRO 36 HA PRO 36 -5.535 -3.674 1.812
193 1HB PRO 36 2HB PRO 36 -7.650 -5.159 0.915
194 2HB PRO 36 3HB PRO 36 -6.207 -5.886 1.662
195 1HG PRO 36 2HG PRO 36 -8.812 -5.146 3.056
196 2HG PRO 36 3HG PRO 36 -7.994 -6.741 3.054
197 1HD PRO 36 2HD PRO 36 -7.589 -4.990 5.072
198 2HD PRO 36 3HD PRO 36 -6.227 -5.943 4.413
199 H GLY 37 H GLY 37 -6.112 -1.387 2.689
200 1HA GLY 37 3HA GLY 37 -7.320 0.545 2.624
201 2HA GLY 37 2HA GLY 37 -8.779 -0.488 2.499
202 H CYS 38 H CYS 38 -6.792 -1.024 -0.116
203 HA CYS 38 HA CYS 38 -6.965 -0.615 -2.271
204 1HB CYS 38 2HB CYS 38 -9.124 -1.655 -1.623
205 2HB CYS 38 3HB CYS 38 -9.854 -0.064 -1.515
206 H ASP 39 H ASP 39 -6.676 1.834 -0.482
207 HA ASP 39 HA ASP 39 -7.719 4.089 -1.915
208 1HB ASP 39 2HB ASP 39 -7.232 4.206 0.470
209 2HB ASP 39 3HB ASP 39 -5.506 3.949 0.169
No H/Q in entry = 209
Start of MODEL 9
1 H LYS 1 H LYS 1 8.727 10.402 5.634
2 HA LYS 1 HA LYS 1 9.664 12.823 4.174
3 1HB LYS 1 2HB LYS 1 11.875 11.985 4.143
4 2HB LYS 1 3HB LYS 1 11.319 12.074 5.789
5 1HG LYS 1 2HG LYS 1 11.318 9.425 4.272
6 2HG LYS 1 3HG LYS 1 12.763 10.085 5.020
7 1HD LYS 1 2HD LYS 1 11.563 10.125 7.238
8 2HD LYS 1 3HD LYS 1 10.193 9.327 6.457
9 1HE LYS 1 2HE LYS 1 11.471 7.626 7.537
10 2HE LYS 1 3HE LYS 1 11.678 7.433 5.795
11 1HZ LYS 1 2HZ LYS 1 13.612 8.717 7.634
12 2HZ LYS 1 3HZ LYS 1 13.760 7.219 6.976
13 3HZ LYS 1 1HZ LYS 1 13.822 8.545 6.010
14 H GLU 2 H GLU 2 11.337 11.121 2.463
15 HA GLU 2 HA GLU 2 11.437 10.112 0.535
16 1HB GLU 2 2HB GLU 2 10.913 8.278 2.121
17 2HB GLU 2 3HB GLU 2 9.217 8.350 1.609
18 1HG GLU 2 2HG GLU 2 9.866 7.815 -0.685
19 2HG GLU 2 3HG GLU 2 11.579 7.878 -0.260
20 HE2 GLU 2 2HE GLU 2 11.411 4.464 0.212
21 H HIS 3 H HIS 3 7.901 10.095 0.923
22 HA HIS 3 HA HIS 3 6.273 10.030 -0.695
23 1HB HIS 3 2HB HIS 3 5.637 12.244 -1.360
24 2HB HIS 3 3HB HIS 3 6.146 12.187 0.313
25 H CYS 4 H CYS 4 6.904 8.449 -2.202
26 HA CYS 4 HA CYS 4 7.447 9.623 -4.867
27 1HB CYS 4 2HB CYS 4 8.757 7.562 -5.425
28 2HB CYS 4 3HB CYS 4 9.526 8.818 -4.500
29 H GLY 5 H GLY 5 4.883 9.265 -3.899
30 1HA GLY 5 3HA GLY 5 4.030 6.633 -4.728
31 2HA GLY 5 2HA GLY 5 3.351 7.972 -5.681
32 H SER 6 H SER 6 2.403 5.814 -3.368
33 HA SER 6 HA SER 6 1.469 7.119 -1.205
34 1HB SER 6 2HB SER 6 -0.406 7.450 -3.588
35 2HB SER 6 3HB SER 6 -1.018 7.354 -1.926
36 HG SER 6 HG SER 6 1.052 9.134 -2.686
37 H ILE 7 H ILE 7 -0.009 5.772 -0.125
38 HA ILE 7 HA ILE 7 -0.159 2.975 -0.657
39 HB ILE 7 HB ILE 7 -2.207 4.676 0.761
40 1HD1 ILE 7 3HD ILE 7 1.239 3.408 2.983
41 2HD1 ILE 7 1HD ILE 7 0.157 2.125 2.429
42 3HD1 ILE 7 2HD ILE 7 1.169 3.001 1.258
43 H LEU 8 H LEU 8 -1.521 1.886 -1.798
44 HA LEU 8 HA LEU 8 -3.730 3.017 -3.384
45 1HB LEU 8 2HB LEU 8 -1.038 2.338 -4.497
46 2HB LEU 8 3HB LEU 8 -2.444 1.820 -5.435
47 HG LEU 8 HG LEU 8 -2.196 4.695 -4.559
48 H HIS 9 H HIS 9 -2.287 -0.014 -4.619
49 HA HIS 9 HA HIS 9 -4.753 -1.378 -3.461
50 1HB HIS 9 2HB HIS 9 -4.042 -0.852 -6.332
51 2HB HIS 9 3HB HIS 9 -5.489 -1.586 -5.662
52 H GLY 10 H GLY 10 -4.679 -3.719 -3.816
53 1HA GLY 10 3HA GLY 10 -2.121 -4.963 -3.634
54 2HA GLY 10 2HA GLY 10 -2.664 -4.949 -5.307
55 H THR 11 H THR 11 -3.002 -6.461 -2.249
56 HA THR 11 HA THR 11 -4.406 -7.857 -1.257
57 HB THR 11 HB THR 11 -6.540 -7.425 -3.361
58 H TRP 12 H TRP 12 -4.184 -8.152 -4.713
59 HA TRP 12 HA TRP 12 -3.613 -9.634 -6.171
60 1HB TRP 12 2HB TRP 12 -1.849 -9.995 -4.226
61 2HB TRP 12 3HB TRP 12 -2.551 -11.589 -4.142
62 H LEU 13 H LEU 13 -3.700 -11.902 -7.005
63 HA LEU 13 HA LEU 13 -5.237 -13.148 -8.097
64 1HB LEU 13 2HB LEU 13 -5.462 -13.914 -5.317
65 2HB LEU 13 3HB LEU 13 -7.073 -13.860 -5.963
66 HG LEU 13 HG LEU 13 -6.191 -15.342 -7.901
67 HA PRO 14 HA PRO 14 -8.639 -10.409 -8.930
68 1HB PRO 14 2HB PRO 14 -11.028 -11.701 -9.202
69 2HB PRO 14 3HB PRO 14 -9.664 -11.896 -10.342
70 1HG PRO 14 2HG PRO 14 -10.418 -13.704 -8.032
71 2HG PRO 14 3HG PRO 14 -10.025 -14.167 -9.718
72 1HD PRO 14 2HD PRO 14 -8.210 -14.282 -7.718
73 2HD PRO 14 3HD PRO 14 -7.718 -13.821 -9.374
74 H LYS 15 H LYS 15 -8.116 -9.508 -6.692
75 HA LYS 15 HA LYS 15 -10.335 -9.742 -4.739
76 1HB LYS 15 2HB LYS 15 -7.516 -8.826 -4.735
77 2HB LYS 15 3HB LYS 15 -8.649 -8.118 -3.599
78 1HG LYS 15 2HG LYS 15 -7.252 -10.244 -2.940
79 2HG LYS 15 3HG LYS 15 -8.887 -10.037 -2.343
80 1HD LYS 15 2HD LYS 15 -8.412 -11.709 -4.811
81 2HD LYS 15 3HD LYS 15 -7.966 -12.344 -3.239
82 1HE LYS 15 2HE LYS 15 -10.100 -12.501 -2.444
83 2HE LYS 15 3HE LYS 15 -10.697 -11.145 -3.397
84 1HZ LYS 15 2HZ LYS 15 -10.030 -13.772 -4.556
85 2HZ LYS 15 3HZ LYS 15 -11.551 -13.260 -4.172
86 3HZ LYS 15 1HZ LYS 15 -10.698 -12.475 -5.341
87 H LYS 16 H LYS 16 -8.679 -6.736 -5.661
88 HA LYS 16 HA LYS 16 -11.326 -5.740 -6.440
89 1HB LYS 16 2HB LYS 16 -11.134 -5.612 -3.874
90 2HB LYS 16 3HB LYS 16 -9.876 -4.428 -4.139
91 1HG LYS 16 2HG LYS 16 -11.706 -3.078 -3.827
92 2HG LYS 16 3HG LYS 16 -11.704 -3.168 -5.584
93 1HD LYS 16 2HD LYS 16 -13.457 -4.831 -3.698
94 2HD LYS 16 3HD LYS 16 -13.933 -3.347 -4.500
95 1HE LYS 16 2HE LYS 16 -14.824 -4.642 -6.058
96 2HE LYS 16 3HE LYS 16 -13.182 -4.764 -6.694
97 1HZ LYS 16 2HZ LYS 16 -14.448 -6.687 -4.823
98 2HZ LYS 16 3HZ LYS 16 -14.278 -6.916 -6.441
99 3HZ LYS 16 1HZ LYS 16 -12.951 -6.872 -5.488
100 H CYS 17 H CYS 17 -7.942 -4.239 -5.621
101 HA CYS 17 HA CYS 17 -7.666 -3.978 -8.465
102 1HB CYS 17 2HB CYS 17 -7.426 -1.543 -8.357
103 2HB CYS 17 3HB CYS 17 -9.059 -2.067 -8.046
104 H SER 18 H SER 18 -5.356 -3.149 -8.883
105 HA SER 18 HA SER 18 -3.584 -3.245 -6.547
106 1HB SER 18 2HB SER 18 -2.045 -4.704 -7.907
107 2HB SER 18 3HB SER 18 -3.466 -5.514 -7.241
108 HG SER 18 HG SER 18 -3.182 -6.070 -9.429
109 H LEU 19 H LEU 19 -1.742 -2.347 -6.670
110 HA LEU 19 HA LEU 19 -0.473 -0.858 -8.554
111 1HB LEU 19 2HB LEU 19 -2.999 0.445 -7.910
112 2HB LEU 19 3HB LEU 19 -1.637 1.431 -7.461
113 HG LEU 19 HG LEU 19 -1.866 0.212 -10.230
114 H CYS 20 H CYS 20 1.327 -1.086 -7.570
115 HA CYS 20 HA CYS 20 2.005 -0.177 -4.854
116 1HB CYS 20 2HB CYS 20 3.560 -1.676 -5.863
117 2HB CYS 20 3HB CYS 20 3.331 -0.970 -7.467
118 H ARG 21 H ARG 21 2.055 2.228 -4.461
119 HA ARG 21 HA ARG 21 4.105 3.124 -6.155
120 1HB ARG 21 2HB ARG 21 1.933 5.168 -5.512
121 2HB ARG 21 3HB ARG 21 3.529 5.456 -6.253
122 1HG ARG 21 2HG ARG 21 2.968 4.261 -8.223
123 2HG ARG 21 3HG ARG 21 1.354 3.885 -7.568
124 1HD ARG 21 2HD ARG 21 0.869 6.316 -7.400
125 2HD ARG 21 3HD ARG 21 2.403 6.649 -8.233
126 HE ARG 21 HE ARG 21 1.232 4.878 -9.904
127 H CYS 22 H CYS 22 5.378 4.765 -4.796
128 HA CYS 22 HA CYS 22 5.501 3.634 -2.187
129 1HB CYS 22 2HB CYS 22 7.683 3.919 -2.805
130 2HB CYS 22 3HB CYS 22 7.236 5.088 -4.028
131 H TRP 23 H TRP 23 5.295 4.458 -0.020
132 HA TRP 23 HA TRP 23 3.383 6.642 -0.123
133 1HB TRP 23 2HB TRP 23 2.918 4.593 1.099
134 2HB TRP 23 3HB TRP 23 4.240 4.928 2.203
135 H HIS 24 H HIS 24 3.547 8.087 2.048
136 HA HIS 24 HA HIS 24 5.807 9.846 1.536
137 1HB HIS 24 2HB HIS 24 3.392 10.551 1.779
138 2HB HIS 24 3HB HIS 24 3.517 10.195 3.499
139 H GLY 25 H GLY 25 7.005 7.667 2.469
140 1HA GLY 25 3HA GLY 25 7.686 8.163 5.335
141 2HA GLY 25 2HA GLY 25 8.849 8.628 4.093
142 H GLN 26 H GLN 26 7.113 5.710 3.198
143 HA GLN 26 HA GLN 26 9.424 4.074 3.547
144 1HB GLN 26 2HB GLN 26 6.844 3.629 5.122
145 2HB GLN 26 3HB GLN 26 7.923 2.299 4.666
146 1HG GLN 26 2HG GLN 26 9.730 3.360 6.012
147 2HG GLN 26 3HG GLN 26 8.573 4.602 6.537
148 H LEU 27 H LEU 27 9.064 2.269 2.185
149 HA LEU 27 HA LEU 27 7.910 2.944 -0.129
150 1HB LEU 27 2HB LEU 27 9.549 0.943 0.580
151 2HB LEU 27 3HB LEU 27 8.099 -0.023 0.312
152 HG LEU 27 HG LEU 27 9.475 1.873 -1.654
153 H HIS 28 H HIS 28 6.396 0.293 1.814
154 HA HIS 28 HA HIS 28 4.322 -0.675 1.606
155 1HB HIS 28 2HB HIS 28 3.515 2.209 2.074
156 2HB HIS 28 3HB HIS 28 2.468 0.810 2.290
157 H CYS 29 H CYS 29 5.019 -0.938 -0.785
158 HA CYS 29 HA CYS 29 2.633 -0.527 -2.456
159 1HB CYS 29 2HB CYS 29 3.617 0.846 -3.904
160 2HB CYS 29 3HB CYS 29 4.857 1.190 -2.748
161 H LEU 30 H LEU 30 2.126 -2.532 -3.097
162 HA LEU 30 HA LEU 30 3.819 -4.153 -4.448
163 1HB LEU 30 2HB LEU 30 3.994 -6.057 -3.095
164 2HB LEU 30 3HB LEU 30 4.894 -4.758 -2.355
165 HG LEU 30 HG LEU 30 2.194 -5.735 -1.330
166 HA PRO 31 HA PRO 31 -0.527 -4.931 -5.152
167 1HB PRO 31 2HB PRO 31 -0.470 -6.771 -7.157
168 2HB PRO 31 3HB PRO 31 -0.024 -5.047 -7.351
169 1HG PRO 31 2HG PRO 31 1.809 -7.387 -6.991
170 2HG PRO 31 3HG PRO 31 1.926 -6.016 -8.153
171 1HD PRO 31 2HD PRO 31 3.308 -6.110 -5.749
172 2HD PRO 31 3HD PRO 31 2.780 -4.586 -6.523
173 H GLN 32 H GLN 32 1.490 -6.972 -3.410
174 HA GLN 32 HA GLN 32 -0.434 -9.180 -3.115
175 1HB GLN 32 2HB GLN 32 2.361 -8.858 -2.001
176 2HB GLN 32 3HB GLN 32 1.274 -10.201 -1.677
177 1HG GLN 32 2HG GLN 32 2.732 -10.966 -3.348
178 2HG GLN 32 3HG GLN 32 1.182 -10.682 -4.141
179 H THR 33 H THR 33 1.443 -8.107 -0.331
180 HA THR 33 HA THR 33 -0.880 -8.229 1.274
181 HB THR 33 HB THR 33 1.821 -7.089 2.080
182 H PHE 34 H PHE 34 -2.167 -6.744 0.146
183 HA PHE 34 HA PHE 34 -1.946 -3.944 1.110
184 1HB PHE 34 2HB PHE 34 -1.190 -4.849 -1.444
185 2HB PHE 34 3HB PHE 34 -2.804 -4.199 -1.675
186 HZ PHE 34 HZ PHE 34 0.103 0.748 -0.326
187 H LEU 35 H LEU 35 -3.659 -6.201 1.880
188 HA LEU 35 HA LEU 35 -6.330 -5.873 1.128
189 1HB LEU 35 2HB LEU 35 -5.188 -6.462 3.900
190 2HB LEU 35 3HB LEU 35 -6.897 -6.409 3.518
191 HG LEU 35 HG LEU 35 -6.351 -8.219 1.713
192 HA PRO 36 HA PRO 36 -6.647 -1.878 3.563
193 1HB PRO 36 2HB PRO 36 -4.516 -0.640 4.760
194 2HB PRO 36 3HB PRO 36 -5.450 -1.917 5.601
195 1HG PRO 36 2HG PRO 36 -2.818 -2.198 4.116
196 2HG PRO 36 3HG PRO 36 -3.266 -2.856 5.718
197 1HD PRO 36 2HD PRO 36 -3.371 -4.306 3.388
198 2HD PRO 36 3HD PRO 36 -4.450 -4.616 4.767
199 H GLY 37 H GLY 37 -7.023 -1.158 1.629
200 1HA GLY 37 3HA GLY 37 -4.925 -0.559 -0.301
201 2HA GLY 37 2HA GLY 37 -5.816 0.868 0.266
202 H CYS 38 H CYS 38 -6.944 -2.483 -0.229
203 HA CYS 38 HA CYS 38 -9.139 -1.575 -1.848
204 1HB CYS 38 2HB CYS 38 -7.037 -1.395 -3.363
205 2HB CYS 38 3HB CYS 38 -7.208 -3.128 -3.566
206 H ASP 39 H ASP 39 -9.822 -2.675 -0.012
207 HA ASP 39 HA ASP 39 -10.795 -4.355 1.145
208 1HB ASP 39 2HB ASP 39 -11.749 -4.901 -1.676
209 2HB ASP 39 3HB ASP 39 -12.543 -5.452 -0.202
No H/Q in entry = 209
Start of MODEL 10
1 H LYS 1 H LYS 1 9.060 18.693 4.964
2 HA LYS 1 HA LYS 1 10.510 16.270 3.999
3 1HB LYS 1 2HB LYS 1 8.942 16.672 6.575
4 2HB LYS 1 3HB LYS 1 9.828 15.227 6.095
5 1HG LYS 1 2HG LYS 1 11.011 17.955 6.773
6 2HG LYS 1 3HG LYS 1 11.089 16.480 7.736
7 1HD LYS 1 2HD LYS 1 12.425 15.397 5.876
8 2HD LYS 1 3HD LYS 1 12.403 16.946 5.023
9 1HE LYS 1 2HE LYS 1 14.503 16.802 6.133
10 2HE LYS 1 3HE LYS 1 13.536 18.033 6.953
11 1HZ LYS 1 2HZ LYS 1 13.946 15.258 7.886
12 2HZ LYS 1 3HZ LYS 1 14.661 16.598 8.512
13 3HZ LYS 1 1HZ LYS 1 13.036 16.393 8.659
14 H GLU 2 H GLU 2 9.271 16.390 2.117
15 HA GLU 2 HA GLU 2 6.403 15.824 2.076
16 1HB GLU 2 2HB GLU 2 6.742 15.635 -0.371
17 2HB GLU 2 3HB GLU 2 7.241 17.180 0.280
18 1HG GLU 2 2HG GLU 2 9.238 14.951 -0.325
19 2HG GLU 2 3HG GLU 2 8.718 16.137 -1.524
20 HE2 GLU 2 2HE GLU 2 11.107 17.267 1.525
21 H HIS 3 H HIS 3 5.810 13.820 0.536
22 HA HIS 3 HA HIS 3 7.237 11.422 1.574
23 1HB HIS 3 2HB HIS 3 4.215 11.608 1.559
24 2HB HIS 3 3HB HIS 3 5.240 10.488 2.434
25 H CYS 4 H CYS 4 7.698 10.139 -0.138
26 HA CYS 4 HA CYS 4 6.457 10.293 -2.726
27 1HB CYS 4 2HB CYS 4 8.592 9.368 -2.599
28 2HB CYS 4 3HB CYS 4 8.225 8.371 -1.211
29 H GLY 5 H GLY 5 4.945 8.727 -3.677
30 1HA GLY 5 3HA GLY 5 2.557 8.291 -2.450
31 2HA GLY 5 2HA GLY 5 3.431 6.791 -2.152
32 H SER 6 H SER 6 2.852 5.153 -3.915
33 HA SER 6 HA SER 6 1.530 6.418 -6.138
34 1HB SER 6 2HB SER 6 2.695 4.863 -7.734
35 2HB SER 6 3HB SER 6 3.724 6.166 -7.118
36 HG SER 6 HG SER 6 4.778 4.145 -7.077
37 H ILE 7 H ILE 7 -0.078 4.934 -6.886
38 HA ILE 7 HA ILE 7 -0.377 2.340 -5.484
39 HB ILE 7 HB ILE 7 -2.611 4.299 -5.972
40 1HD1 ILE 7 2HD ILE 7 -2.590 6.279 -4.471
41 2HD1 ILE 7 1HD ILE 7 -0.835 6.139 -4.696
42 3HD1 ILE 7 3HD ILE 7 -1.506 6.271 -3.066
43 H LEU 8 H LEU 8 -1.511 0.827 -6.721
44 HA LEU 8 HA LEU 8 -1.376 1.309 -9.667
45 1HB LEU 8 2HB LEU 8 0.574 0.267 -8.558
46 2HB LEU 8 3HB LEU 8 -0.402 -1.136 -8.148
47 HG LEU 8 HG LEU 8 0.071 -0.161 -11.003
48 H HIS 9 H HIS 9 -2.838 -0.977 -7.240
49 HA HIS 9 HA HIS 9 -5.042 -1.993 -7.285
50 1HB HIS 9 2HB HIS 9 -6.013 -0.460 -9.579
51 2HB HIS 9 3HB HIS 9 -6.788 -0.902 -8.069
52 H GLY 10 H GLY 10 -2.726 -2.830 -9.019
53 1HA GLY 10 3HA GLY 10 -2.848 -4.276 -11.100
54 2HA GLY 10 2HA GLY 10 -4.292 -4.988 -10.356
55 H THR 11 H THR 11 -3.932 -5.688 -7.918
56 HA THR 11 HA THR 11 -1.377 -6.965 -7.423
57 HB THR 11 HB THR 11 -3.611 -8.354 -6.241
58 H TRP 12 H TRP 12 -1.089 -9.317 -7.714
59 HA TRP 12 HA TRP 12 -2.198 -10.253 -10.219
60 1HB TRP 12 2HB TRP 12 0.135 -10.755 -8.821
61 2HB TRP 12 3HB TRP 12 -0.787 -12.207 -8.481
62 H LEU 13 H LEU 13 -3.006 -12.669 -10.198
63 HA LEU 13 HA LEU 13 -4.934 -13.873 -10.001
64 1HB LEU 13 2HB LEU 13 -4.897 -13.221 -7.048
65 2HB LEU 13 3HB LEU 13 -5.695 -14.585 -7.850
66 HG LEU 13 HG LEU 13 -2.696 -14.299 -7.729
67 HA PRO 14 HA PRO 14 -8.232 -11.134 -10.539
68 1HB PRO 14 2HB PRO 14 -10.449 -11.366 -8.978
69 2HB PRO 14 3HB PRO 14 -9.820 -12.725 -9.946
70 1HG PRO 14 2HG PRO 14 -9.270 -12.144 -7.016
71 2HG PRO 14 3HG PRO 14 -9.879 -13.671 -7.741
72 1HD PRO 14 2HD PRO 14 -7.246 -13.251 -7.218
73 2HD PRO 14 3HD PRO 14 -7.759 -14.178 -8.672
74 H LYS 15 H LYS 15 -6.208 -9.975 -8.875
75 HA LYS 15 HA LYS 15 -5.510 -8.448 -7.472
76 1HB LYS 15 2HB LYS 15 -6.195 -6.149 -7.842
77 2HB LYS 15 3HB LYS 15 -6.035 -7.019 -9.362
78 1HG LYS 15 2HG LYS 15 -8.396 -7.200 -9.627
79 2HG LYS 15 3HG LYS 15 -8.717 -6.625 -7.971
80 1HD LYS 15 2HD LYS 15 -7.814 -4.403 -8.625
81 2HD LYS 15 3HD LYS 15 -7.583 -4.998 -10.282
82 1HE LYS 15 2HE LYS 15 -10.212 -4.760 -8.746
83 2HE LYS 15 3HE LYS 15 -9.684 -3.732 -10.086
84 1HZ LYS 15 2HZ LYS 15 -10.252 -6.625 -10.261
85 2HZ LYS 15 3HZ LYS 15 -11.239 -5.425 -10.806
86 3HZ LYS 15 1HZ LYS 15 -9.774 -5.676 -11.517
87 H LYS 16 H LYS 16 -6.018 -6.748 -5.714
88 HA LYS 16 HA LYS 16 -8.501 -7.390 -4.216
89 1HB LYS 16 2HB LYS 16 -7.399 -7.837 -2.200
90 2HB LYS 16 3HB LYS 16 -6.804 -8.955 -3.400
91 1HG LYS 16 2HG LYS 16 -4.686 -7.982 -3.548
92 2HG LYS 16 3HG LYS 16 -5.179 -6.437 -2.893
93 1HD LYS 16 2HD LYS 16 -4.606 -8.994 -1.410
94 2HD LYS 16 3HD LYS 16 -3.864 -7.407 -1.212
95 1HE LYS 16 2HE LYS 16 -6.610 -8.334 -0.350
96 2HE LYS 16 3HE LYS 16 -5.291 -7.844 0.699
97 1HZ LYS 16 2HZ LYS 16 -6.574 -5.932 -1.180
98 2HZ LYS 16 3HZ LYS 16 -7.233 -6.294 0.257
99 3HZ LYS 16 1HZ LYS 16 -5.747 -5.592 0.234
100 H CYS 17 H CYS 17 -7.762 -4.994 -5.731
101 HA CYS 17 HA CYS 17 -8.831 -3.024 -5.516
102 1HB CYS 17 2HB CYS 17 -8.372 -3.072 -2.502
103 2HB CYS 17 3HB CYS 17 -9.046 -1.759 -3.434
104 H SER 18 H SER 18 -5.803 -3.721 -3.741
105 HA SER 18 HA SER 18 -4.514 -1.792 -5.540
106 1HB SER 18 2HB SER 18 -3.105 -0.961 -3.746
107 2HB SER 18 3HB SER 18 -4.670 -0.274 -4.166
108 HG SER 18 HG SER 18 -4.006 -0.989 -1.743
109 H LEU 19 H LEU 19 -2.561 -1.838 -5.782
110 HA LEU 19 HA LEU 19 -0.874 -3.448 -4.385
111 1HB LEU 19 2HB LEU 19 -0.860 -4.793 -6.462
112 2HB LEU 19 3HB LEU 19 -0.603 -3.349 -7.425
113 HG LEU 19 HG LEU 19 1.643 -3.059 -6.483
114 H CYS 20 H CYS 20 1.224 -2.184 -4.501
115 HA CYS 20 HA CYS 20 2.378 -0.423 -4.126
116 1HB CYS 20 2HB CYS 20 0.847 0.770 -6.398
117 2HB CYS 20 3HB CYS 20 2.178 1.596 -5.601
118 H ARG 21 H ARG 21 2.670 1.474 -3.283
119 HA ARG 21 HA ARG 21 1.082 3.274 -2.143
120 1HB ARG 21 2HB ARG 21 1.517 3.036 0.190
121 2HB ARG 21 3HB ARG 21 0.728 1.554 -0.336
122 1HG ARG 21 2HG ARG 21 2.792 0.296 -0.171
123 2HG ARG 21 3HG ARG 21 3.758 1.757 -0.012
124 1HD ARG 21 2HD ARG 21 2.420 2.248 2.133
125 2HD ARG 21 3HD ARG 21 1.889 0.557 2.035
126 HE ARG 21 HE ARG 21 4.705 0.675 1.742
127 H CYS 22 H CYS 22 3.171 4.399 -0.587
128 HA CYS 22 HA CYS 22 5.656 3.424 -1.742
129 1HB CYS 22 2HB CYS 22 5.234 5.623 -2.746
130 2HB CYS 22 3HB CYS 22 5.246 6.304 -1.102
131 H TRP 23 H TRP 23 7.256 3.238 -0.017
132 HA TRP 23 HA TRP 23 6.223 3.323 2.737
133 1HB TRP 23 2HB TRP 23 7.979 1.667 1.596
134 2HB TRP 23 3HB TRP 23 9.123 2.914 2.059
135 H HIS 24 H HIS 24 7.172 5.615 0.611
136 HA HIS 24 HA HIS 24 7.264 7.849 0.786
137 1HB HIS 24 2HB HIS 24 7.540 7.671 3.791
138 2HB HIS 24 3HB HIS 24 7.066 9.055 2.828
139 H GLY 25 H GLY 25 9.636 6.158 2.829
140 1HA GLY 25 3HA GLY 25 11.932 6.880 3.152
141 2HA GLY 25 2HA GLY 25 11.812 7.898 1.717
142 H GLN 26 H GLN 26 10.290 4.916 1.061
143 HA GLN 26 HA GLN 26 12.360 4.108 -0.784
144 1HB GLN 26 2HB GLN 26 12.866 2.819 1.377
145 2HB GLN 26 3HB GLN 26 11.228 2.166 1.299
146 1HG GLN 26 2HG GLN 26 11.861 1.207 -1.002
147 2HG GLN 26 3HG GLN 26 13.522 1.686 -0.650
148 H LEU 27 H LEU 27 11.270 2.993 -2.513
149 HA LEU 27 HA LEU 27 8.556 3.584 -2.774
150 1HB LEU 27 2HB LEU 27 10.391 3.070 -4.591
151 2HB LEU 27 3HB LEU 27 9.717 1.445 -4.526
152 HG LEU 27 HG LEU 27 8.288 4.066 -5.166
153 H HIS 28 H HIS 28 9.969 0.328 -2.658
154 HA HIS 28 HA HIS 28 9.272 -1.697 -2.147
155 1HB HIS 28 2HB HIS 28 9.055 -0.772 0.141
156 2HB HIS 28 3HB HIS 28 7.337 -0.512 -0.140
157 H CYS 29 H CYS 29 6.325 0.351 -2.349
158 HA CYS 29 HA CYS 29 4.187 -0.057 -3.030
159 1HB CYS 29 2HB CYS 29 5.608 -1.952 -4.966
160 2HB CYS 29 3HB CYS 29 3.876 -1.901 -4.859
161 H LEU 30 H LEU 30 2.628 -0.988 -1.874
162 HA LEU 30 HA LEU 30 2.272 -3.753 -2.079
163 1HB LEU 30 2HB LEU 30 2.345 -4.487 0.104
164 2HB LEU 30 3HB LEU 30 3.800 -3.553 -0.066
165 HG LEU 30 HG LEU 30 2.021 -1.666 0.994
166 HA PRO 31 HA PRO 31 -1.886 -2.275 -2.517
167 1HB PRO 31 2HB PRO 31 -2.800 -4.002 -0.234
168 2HB PRO 31 3HB PRO 31 -3.467 -3.843 -1.881
169 1HG PRO 31 2HG PRO 31 -1.932 -5.983 -1.190
170 2HG PRO 31 3HG PRO 31 -1.722 -5.212 -2.790
171 1HD PRO 31 2HD PRO 31 -0.018 -4.936 -0.345
172 2HD PRO 31 3HD PRO 31 0.455 -5.012 -2.064
173 H GLN 32 H GLN 32 -0.760 -2.361 0.820
174 HA GLN 32 HA GLN 32 -0.858 -1.182 2.638
175 1HB GLN 32 2HB GLN 32 -0.418 0.806 1.336
176 2HB GLN 32 3HB GLN 32 -2.142 1.046 1.026
177 1HG GLN 32 2HG GLN 32 -1.322 2.536 2.790
178 2HG GLN 32 3HG GLN 32 -2.540 1.435 3.424
179 H THR 33 H THR 33 -3.879 -1.049 0.841
180 HA THR 33 HA THR 33 -5.524 -1.711 3.197
181 HB THR 33 HB THR 33 -6.222 -1.897 0.231
182 H PHE 34 H PHE 34 -3.851 -3.332 3.778
183 HA PHE 34 HA PHE 34 -3.494 -5.682 2.123
184 1HB PHE 34 2HB PHE 34 -1.693 -5.059 3.536
185 2HB PHE 34 3HB PHE 34 -2.719 -4.989 4.965
186 HZ PHE 34 HZ PHE 34 -1.482 -10.722 5.147
187 H LEU 35 H LEU 35 -4.917 -5.498 5.426
188 HA LEU 35 HA LEU 35 -6.412 -7.941 4.818
189 1HB LEU 35 2HB LEU 35 -4.851 -7.512 6.862
190 2HB LEU 35 3HB LEU 35 -6.222 -6.682 7.558
191 HG LEU 35 HG LEU 35 -6.051 -8.923 8.373
192 HA PRO 36 HA PRO 36 -10.062 -5.507 6.385
193 1HB PRO 36 2HB PRO 36 -10.094 -2.894 7.093
194 2HB PRO 36 3HB PRO 36 -9.280 -4.103 8.133
195 1HG PRO 36 2HG PRO 36 -8.018 -2.265 6.071
196 2HG PRO 36 3HG PRO 36 -7.493 -2.557 7.759
197 1HD PRO 36 2HD PRO 36 -6.462 -3.859 5.540
198 2HD PRO 36 3HD PRO 36 -6.482 -4.573 7.183
199 H GLY 37 H GLY 37 -11.816 -4.250 5.455
200 1HA GLY 37 3HA GLY 37 -11.383 -2.245 3.465
201 2HA GLY 37 2HA GLY 37 -12.937 -2.901 4.003
202 H CYS 38 H CYS 38 -10.451 -4.976 2.739
203 HA CYS 38 HA CYS 38 -12.013 -5.857 0.454
204 1HB CYS 38 2HB CYS 38 -11.304 -3.644 -0.339
205 2HB CYS 38 3HB CYS 38 -9.611 -4.053 -0.053
206 H ASP 39 H ASP 39 -11.519 -7.561 1.919
207 HA ASP 39 HA ASP 39 -10.408 -9.524 2.533
208 1HB ASP 39 2HB ASP 39 -10.469 -9.418 -0.499
209 2HB ASP 39 3HB ASP 39 -10.278 -10.896 0.452
No H/Q in entry = 209