Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22006 | 2iwj RC | 7342 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 23 2H ARG 23 -2.079 1.163 -3.628
2 H2 ARG 23 1H ARG 23 -3.457 0.855 -4.446
3 H3 ARG 23 3H ARG 23 -1.991 0.756 -5.219
4 HA ARG 23 HA ARG 23 -1.629 3.109 -5.029
5 1HB ARG 23 1HB ARG 23 -4.407 2.464 -6.108
6 2HB ARG 23 2HB ARG 23 -3.527 3.945 -6.450
7 1HG ARG 23 1HG ARG 23 -1.827 2.823 -7.709
8 2HG ARG 23 2HG ARG 23 -2.405 1.223 -7.224
9 1HD ARG 23 1HD ARG 23 -4.047 3.159 -8.889
10 2HD ARG 23 2HD ARG 23 -3.050 1.838 -9.536
11 HE ARG 23 HE ARG 23 -4.879 0.921 -7.464
12 1HH1 ARG 23 2HH1 ARG 23 -4.884 1.544 -10.920
13 2HH1 ARG 23 1HH1 ARG 23 -6.186 0.407 -11.163
14 1HH2 ARG 23 1HH2 ARG 23 -6.361 -0.374 -7.784
15 2HH2 ARG 23 2HH2 ARG 23 -7.054 -0.696 -9.378
16 H ALA 24 H ALA 24 -3.165 5.242 -4.746
17 HA ALA 24 HA ALA 24 -3.830 6.704 -3.121
18 1HB ALA 24 3HB ALA 24 -5.855 5.946 -4.235
19 2HB ALA 24 2HB ALA 24 -6.183 6.358 -2.542
20 3HB ALA 24 1HB ALA 24 -6.068 4.655 -3.035
21 HA PRO 25 HA PRO 25 -2.170 3.955 0.289
22 1HB PRO 25 1HB PRO 25 0.026 5.416 1.081
23 2HB PRO 25 2HB PRO 25 0.009 4.341 -0.349
24 1HG PRO 25 1HG PRO 25 -0.466 7.335 -0.303
25 2HG PRO 25 2HG PRO 25 0.676 6.414 -1.334
26 1HD PRO 25 1HD PRO 25 -1.749 7.100 -2.273
27 2HD PRO 25 2HD PRO 25 -1.095 5.466 -2.604
28 H ARG 26 H ARG 26 -3.126 7.302 0.440
29 HA ARG 26 HA ARG 26 -2.772 8.030 3.082
30 1HB ARG 26 1HB ARG 26 -3.531 9.545 1.333
31 2HB ARG 26 2HB ARG 26 -5.054 8.674 1.170
32 1HG ARG 26 1HG ARG 26 -5.366 10.783 2.356
33 2HG ARG 26 2HG ARG 26 -5.786 9.419 3.379
34 1HD ARG 26 1HD ARG 26 -3.446 9.640 4.437
35 2HD ARG 26 2HD ARG 26 -3.254 11.111 3.492
36 HE ARG 26 HE ARG 26 -4.741 12.226 4.899
37 1HH1 ARG 26 1HH2 ARG 26 -4.938 8.796 5.720
38 2HH1 ARG 26 2HH2 ARG 26 -5.778 9.138 7.211
39 1HH2 ARG 26 1HH1 ARG 26 -5.850 12.542 6.788
40 2HH2 ARG 26 2HH1 ARG 26 -6.296 11.185 7.779
41 H ARG 27 H ARG 27 -5.235 5.762 1.990
42 HA ARG 27 HA ARG 27 -6.820 5.847 4.400
43 1HB ARG 27 1HB ARG 27 -8.004 3.977 3.555
44 2HB ARG 27 2HB ARG 27 -7.680 5.105 2.249
45 1HG ARG 27 1HG ARG 27 -5.760 3.565 1.528
46 2HG ARG 27 2HG ARG 27 -6.355 2.399 2.730
47 1HD ARG 27 1HD ARG 27 -8.633 2.542 1.661
48 2HD ARG 27 2HD ARG 27 -7.966 3.592 0.415
49 HE ARG 27 HE ARG 27 -7.873 0.726 0.514
50 1HH1 ARG 27 2HH2 ARG 27 -5.801 3.371 -0.581
51 2HH1 ARG 27 1HH2 ARG 27 -5.161 2.400 -1.864
52 1HH2 ARG 27 2HH1 ARG 27 -7.114 -0.337 -1.285
53 2HH2 ARG 27 1HH1 ARG 27 -5.951 0.455 -2.339
54 H GLN 28 H GLN 28 -3.730 4.537 4.036
55 HA GLN 28 HA GLN 28 -3.929 3.453 6.807
56 1HB GLN 28 1HB GLN 28 -4.176 1.633 4.979
57 2HB GLN 28 2HB GLN 28 -2.487 1.955 4.593
58 1HG GLN 28 1HG GLN 28 -2.077 1.422 7.153
59 2HG GLN 28 2HG GLN 28 -3.702 0.751 7.102
60 1HE2 GLN 28 2HE2 GLN 28 -4.018 -1.233 5.801
61 2HE2 GLN 28 1HE2 GLN 28 -2.617 -2.134 5.248
62 H GLY 29 H GLY 29 -2.114 5.198 4.412
63 1HA GLY 29 2HA GLY 29 0.294 5.615 6.024
64 2HA GLY 29 1HA GLY 29 0.006 6.099 4.346
65 H CYS 30 H CYS 30 -0.881 3.212 3.830
66 HA CYS 30 HA CYS 30 -0.260 1.094 3.590
67 1HB CYS 30 1HB CYS 30 1.760 2.753 2.094
68 2HB CYS 30 2HB CYS 30 1.822 0.985 2.008
69 H TRP 31 H TRP 31 1.037 2.202 6.193
70 HA TRP 31 HA TRP 31 3.624 1.122 6.388
71 1HB TRP 31 1HB TRP 31 2.540 2.852 7.854
72 2HB TRP 31 2HB TRP 31 1.706 1.546 8.695
73 HD1 TRP 31 HD1 TRP 31 2.936 0.767 10.791
74 HE1 TRP 31 HE1 TRP 31 5.348 0.752 11.675
75 HE3 TRP 31 HE3 TRP 31 5.302 2.840 6.742
76 HZ2 TRP 31 HZ2 TRP 31 7.973 1.489 10.727
77 HZ3 TRP 31 HZ3 TRP 31 7.771 3.151 6.755
78 HH2 TRP 31 HH2 TRP 31 9.110 2.480 8.735
79 H LYS 32 H LYS 32 0.662 -0.655 6.588
80 HA LYS 32 HA LYS 32 2.168 -3.123 7.388
81 1HB LYS 32 1HB LYS 32 0.370 -2.528 8.967
82 2HB LYS 32 2HB LYS 32 -0.793 -2.459 7.646
83 1HG LYS 32 1HG LYS 32 -1.112 -4.518 8.831
84 2HG LYS 32 2HG LYS 32 -0.495 -4.884 7.238
85 1HD LYS 32 1HD LYS 32 1.882 -4.846 8.651
86 2HD LYS 32 2HD LYS 32 0.756 -5.226 9.946
87 1HE LYS 32 1HE LYS 32 1.394 -7.340 9.150
88 2HE LYS 32 2HE LYS 32 -0.171 -7.067 8.379
89 1HZ LYS 32 3HZ LYS 32 1.165 -6.231 6.400
90 2HZ LYS 32 1HZ LYS 32 2.513 -6.763 7.139
91 3HZ LYS 32 2HZ LYS 32 1.358 -7.833 6.713
92 H CYS 33 H CYS 33 0.206 -1.644 4.908
93 HA CYS 33 HA CYS 33 -0.180 -3.802 3.106
94 1HB CYS 33 1HB CYS 33 -1.230 -1.609 2.913
95 2HB CYS 33 2HB CYS 33 0.348 -0.825 2.774
96 H GLY 34 H GLY 34 2.597 -1.586 3.519
97 1HA GLY 34 2HA GLY 34 4.326 -3.243 1.744
98 2HA GLY 34 1HA GLY 34 4.697 -3.207 3.465
99 H LYS 35 H LYS 35 3.864 -0.144 3.382
100 HA LYS 35 HA LYS 35 5.425 1.276 1.571
101 1HB LYS 35 1HB LYS 35 3.657 2.155 3.039
102 2HB LYS 35 2HB LYS 35 4.727 2.100 4.426
103 1HG LYS 35 1HG LYS 35 5.648 3.602 1.976
104 2HG LYS 35 2HG LYS 35 4.299 4.290 2.861
105 1HD LYS 35 1HD LYS 35 5.503 4.684 4.802
106 2HD LYS 35 2HD LYS 35 6.768 3.512 4.437
107 1HE LYS 35 1HE LYS 35 6.329 5.987 2.726
108 2HE LYS 35 2HE LYS 35 7.320 6.038 4.188
109 1HZ LYS 35 2HZ LYS 35 7.846 4.118 1.984
110 2HZ LYS 35 3HZ LYS 35 8.605 5.569 2.116
111 3HZ LYS 35 1HZ LYS 35 8.799 4.421 3.260
112 H THR 36 H THR 36 6.718 -0.492 4.210
113 HA THR 36 HA THR 36 9.278 0.734 4.555
114 HB THR 36 HB THR 36 9.960 -1.576 5.270
115 HG1 THR 36 HG1 THR 36 8.342 -3.138 5.327
116 1HG2 THR 36 1HG2 THR 36 8.889 0.010 6.874
117 2HG2 THR 36 2HG2 THR 36 7.295 -0.651 6.450
118 3HG2 THR 36 3HG2 THR 36 8.510 -1.682 7.233
119 H GLY 37 H GLY 37 8.013 -1.072 1.814
120 1HA GLY 37 2HA GLY 37 10.381 -2.002 0.609
121 2HA GLY 37 1HA GLY 37 10.300 -0.282 0.238
122 H HIS 38 H HIS 38 7.084 -1.432 0.254
123 HA HIS 38 HA HIS 38 7.012 -2.739 -2.288
124 1HB HIS 38 1HB HIS 38 4.731 -2.897 -2.012
125 2HB HIS 38 2HB HIS 38 5.343 -2.943 -0.381
126 HD1 HIS 38 HD1 HIS 38 5.288 0.652 -1.070
127 HD2 HIS 38 HD2 HIS 38 2.405 -2.360 -0.539
128 HE1 HIS 38 HE1 HIS 38 3.106 1.840 -0.488
129 H VAL 39 H VAL 39 5.381 -1.965 -3.989
130 HA VAL 39 HA VAL 39 5.867 0.884 -4.790
131 HB VAL 39 HB VAL 39 5.556 -1.542 -6.609
132 1HG1 VAL 39 1HG1 VAL 39 6.202 1.374 -7.248
133 2HG1 VAL 39 2HG1 VAL 39 6.264 0.030 -8.406
134 3HG1 VAL 39 3HG1 VAL 39 4.722 0.497 -7.708
135 1HG2 VAL 39 3HG2 VAL 39 8.036 0.111 -5.950
136 2HG2 VAL 39 1HG2 VAL 39 7.770 -1.597 -5.536
137 3HG2 VAL 39 2HG2 VAL 39 7.932 -1.124 -7.225
138 H MET 40 H MET 40 4.065 1.989 -5.639
139 HA MET 40 HA MET 40 1.590 1.342 -4.437
140 1HB MET 40 1HB MET 40 2.220 3.346 -6.637
141 2HB MET 40 2HB MET 40 0.705 3.292 -5.728
142 1HG MET 40 1HG MET 40 3.465 3.763 -4.543
143 2HG MET 40 2HG MET 40 2.231 4.985 -4.824
144 1HE MET 40 3HE MET 40 2.871 5.661 -2.267
145 2HE MET 40 1HE MET 40 2.621 4.577 -0.880
146 3HE MET 40 2HE MET 40 3.898 4.224 -2.065
147 H ALA 41 H ALA 41 2.727 0.146 -7.452
148 HA ALA 41 HA ALA 41 0.047 -0.688 -8.376
149 1HB ALA 41 3HB ALA 41 1.740 0.125 -9.982
150 2HB ALA 41 1HB ALA 41 2.839 -1.189 -9.499
151 3HB ALA 41 2HB ALA 41 1.298 -1.561 -10.302
152 H LYS 42 H LYS 42 2.462 -1.958 -6.276
153 HA LYS 42 HA LYS 42 1.469 -4.774 -6.470
154 1HB LYS 42 1HB LYS 42 3.926 -4.331 -6.400
155 2HB LYS 42 2HB LYS 42 3.734 -3.519 -4.852
156 1HG LYS 42 1HG LYS 42 4.619 -5.752 -4.573
157 2HG LYS 42 2HG LYS 42 3.049 -5.624 -3.782
158 1HD LYS 42 1HD LYS 42 1.968 -6.928 -5.488
159 2HD LYS 42 2HD LYS 42 3.361 -6.779 -6.587
160 1HE LYS 42 1HE LYS 42 4.761 -8.094 -5.074
161 2HE LYS 42 2HE LYS 42 3.456 -8.182 -3.884
162 1HZ LYS 42 3HZ LYS 42 3.237 -9.329 -6.613
163 2HZ LYS 42 1HZ LYS 42 3.647 -10.194 -5.288
164 3HZ LYS 42 2HZ LYS 42 2.170 -9.519 -5.371
165 H CYS 43 H CYS 43 1.569 -1.974 -4.361
166 HA CYS 43 HA CYS 43 0.341 -2.571 -2.041
167 1HB CYS 43 1HB CYS 43 1.123 -0.409 -2.753
168 2HB CYS 43 2HB CYS 43 -0.084 -0.322 -4.022
169 HA PRO 44 HA PRO 44 -4.192 -2.564 -3.899
170 1HB PRO 44 1HB PRO 44 -3.691 -4.080 -6.450
171 2HB PRO 44 2HB PRO 44 -4.914 -2.819 -6.107
172 1HG PRO 44 1HG PRO 44 -2.684 -2.228 -7.538
173 2HG PRO 44 2HG PRO 44 -3.270 -1.085 -6.289
174 1HD PRO 44 1HD PRO 44 -1.104 -3.163 -6.055
175 2HD PRO 44 2HD PRO 44 -1.051 -1.449 -5.561
176 H GLU 45 H GLU 45 -1.846 -5.164 -4.307
177 HA GLU 45 HA GLU 45 -3.477 -7.475 -3.998
178 1HB GLU 45 1HB GLU 45 -1.113 -7.333 -4.773
179 2HB GLU 45 2HB GLU 45 -0.624 -6.904 -3.134
180 1HG GLU 45 1HG GLU 45 -1.334 -9.129 -2.325
181 2HG GLU 45 2HG GLU 45 -1.836 -9.558 -3.973
182 H ARG 46 H ARG 46 -2.495 -5.085 -1.626
183 HA ARG 46 HA ARG 46 -3.302 -6.863 0.658
184 1HB ARG 46 1HB ARG 46 -1.528 -4.396 0.731
185 2HB ARG 46 2HB ARG 46 -1.875 -5.502 2.052
186 1HG ARG 46 1HG ARG 46 0.141 -6.359 1.480
187 2HG ARG 46 2HG ARG 46 -0.844 -7.311 0.370
188 1HD ARG 46 1HD ARG 46 -0.358 -5.446 -1.374
189 2HD ARG 46 2HD ARG 46 0.822 -4.821 -0.237
190 HE ARG 46 HE ARG 46 0.960 -7.340 -1.809
191 1HH1 ARG 46 1HH2 ARG 46 2.559 -5.568 0.798
192 2HH1 ARG 46 2HH2 ARG 46 3.988 -6.559 0.632
193 1HH2 ARG 46 2HH1 ARG 46 2.606 -8.533 -1.851
194 2HH2 ARG 46 1HH1 ARG 46 4.037 -8.246 -0.853
195 H GLN 47 H GLN 47 -4.375 -4.151 -1.066
196 HA GLN 47 HA GLN 47 -6.260 -3.384 1.130
197 1HB GLN 47 1HB GLN 47 -4.686 -1.447 -0.608
198 2HB GLN 47 2HB GLN 47 -5.856 -1.037 0.661
199 1HG GLN 47 1HG GLN 47 -4.354 -2.127 2.343
200 2HG GLN 47 2HG GLN 47 -3.132 -2.285 1.066
201 1HE2 GLN 47 1HE2 GLN 47 -2.712 -0.083 -0.184
202 2HE2 GLN 47 2HE2 GLN 47 -2.521 1.271 0.903
203 H ALA 48 H ALA 48 -6.340 -4.702 -1.792
204 HA ALA 48 HA ALA 48 -7.693 -4.777 -3.571
205 1HB ALA 48 1HB ALA 48 -9.116 -5.550 -1.711
206 2HB ALA 48 2HB ALA 48 -9.770 -3.906 -1.529
207 3HB ALA 48 3HB ALA 48 -10.066 -4.827 -3.020
208 H GLY 49 H GLY 49 -6.329 -2.229 -3.474
209 1HA GLY 49 2HA GLY 49 -7.805 0.084 -3.985
210 2HA GLY 49 1HA GLY 49 -7.782 -0.775 -5.523
No H/Q in entry = 210
Start of MODEL 2
1 H1 ARG 23 1H ARG 23 -9.704 0.940 0.206
2 H2 ARG 23 3H ARG 23 -11.282 0.519 0.331
3 H3 ARG 23 2H ARG 23 -10.640 0.864 -1.133
4 HA ARG 23 HA ARG 23 -11.835 2.736 -0.682
5 1HB ARG 23 1HB ARG 23 -11.892 3.919 1.434
6 2HB ARG 23 2HB ARG 23 -12.482 2.280 1.519
7 1HG ARG 23 1HG ARG 23 -9.928 1.842 2.409
8 2HG ARG 23 2HG ARG 23 -10.124 3.537 2.872
9 1HD ARG 23 1HD ARG 23 -10.804 2.218 4.743
10 2HD ARG 23 2HD ARG 23 -12.287 2.880 4.025
11 HE ARG 23 HE ARG 23 -11.589 0.277 2.910
12 1HH1 ARG 23 1HH1 ARG 23 -13.241 1.605 5.709
13 2HH1 ARG 23 2HH1 ARG 23 -14.200 0.158 5.886
14 1HH2 ARG 23 2HH2 ARG 23 -12.748 -1.381 3.141
15 2HH2 ARG 23 1HH2 ARG 23 -13.920 -1.551 4.441
16 H ALA 24 H ALA 24 -9.035 3.672 1.316
17 HA ALA 24 HA ALA 24 -7.435 4.427 -1.018
18 1HB ALA 24 1HB ALA 24 -8.523 6.474 0.987
19 2HB ALA 24 3HB ALA 24 -8.932 6.380 -0.740
20 3HB ALA 24 2HB ALA 24 -7.286 6.807 -0.247
21 HA PRO 25 HA PRO 25 -4.413 2.992 1.715
22 1HB PRO 25 1HB PRO 25 -2.087 4.372 1.066
23 2HB PRO 25 2HB PRO 25 -2.838 3.090 0.070
24 1HG PRO 25 1HG PRO 25 -3.155 6.088 -0.205
25 2HG PRO 25 2HG PRO 25 -2.818 4.883 -1.490
26 1HD PRO 25 1HD PRO 25 -5.323 5.800 -1.065
27 2HD PRO 25 2HD PRO 25 -5.047 4.071 -1.434
28 H ARG 26 H ARG 26 -4.878 6.449 1.926
29 HA ARG 26 HA ARG 26 -3.478 7.069 4.298
30 1HB ARG 26 1HB ARG 26 -4.901 8.988 4.480
31 2HB ARG 26 2HB ARG 26 -4.475 8.726 2.793
32 1HG ARG 26 1HG ARG 26 -6.714 7.682 2.395
33 2HG ARG 26 2HG ARG 26 -7.158 7.993 4.078
34 1HD ARG 26 1HD ARG 26 -6.388 10.117 2.034
35 2HD ARG 26 2HD ARG 26 -8.048 9.682 2.476
36 HE ARG 26 HE ARG 26 -6.834 10.306 4.899
37 1HH1 ARG 26 1HH2 ARG 26 -7.441 12.107 1.956
38 2HH1 ARG 26 2HH2 ARG 26 -7.477 13.635 2.793
39 1HH2 ARG 26 1HH1 ARG 26 -6.879 12.286 5.900
40 2HH2 ARG 26 2HH1 ARG 26 -7.173 13.724 4.968
41 H ARG 27 H ARG 27 -6.275 5.037 4.072
42 HA ARG 27 HA ARG 27 -7.157 5.210 6.812
43 1HB ARG 27 1HB ARG 27 -8.428 3.259 6.373
44 2HB ARG 27 2HB ARG 27 -8.444 4.241 4.925
45 1HG ARG 27 1HG ARG 27 -8.040 2.287 3.884
46 2HG ARG 27 2HG ARG 27 -6.355 2.606 4.277
47 1HD ARG 27 1HD ARG 27 -6.524 1.141 6.251
48 2HD ARG 27 2HD ARG 27 -8.253 0.945 6.000
49 HE ARG 27 HE ARG 27 -6.081 -0.106 4.206
50 1HH1 ARG 27 2HH2 ARG 27 -9.553 -0.167 4.933
51 2HH1 ARG 27 1HH2 ARG 27 -9.767 -1.447 3.729
52 1HH2 ARG 27 2HH1 ARG 27 -6.556 -1.954 2.999
53 2HH2 ARG 27 1HH1 ARG 27 -8.272 -2.351 2.789
54 H GLN 28 H GLN 28 -4.268 3.917 5.556
55 HA GLN 28 HA GLN 28 -3.572 2.748 8.226
56 1HB GLN 28 1HB GLN 28 -4.276 1.072 6.335
57 2HB GLN 28 2HB GLN 28 -2.752 1.523 5.582
58 1HG GLN 28 1HG GLN 28 -1.657 0.803 7.846
59 2HG GLN 28 2HG GLN 28 -3.222 0.071 8.206
60 1HE2 GLN 28 2HE2 GLN 28 -3.862 -1.826 6.900
61 2HE2 GLN 28 1HE2 GLN 28 -2.696 -2.587 5.831
62 H GLY 29 H GLY 29 -2.567 4.641 5.436
63 1HA GLY 29 2HA GLY 29 0.001 5.427 6.545
64 2HA GLY 29 1HA GLY 29 -0.618 5.749 4.917
65 H CYS 30 H CYS 30 -1.101 2.848 4.488
66 HA CYS 30 HA CYS 30 -0.279 0.889 3.947
67 1HB CYS 30 1HB CYS 30 1.775 2.756 2.741
68 2HB CYS 30 2HB CYS 30 1.816 1.016 2.438
69 H TRP 31 H TRP 31 0.867 1.879 6.668
70 HA TRP 31 HA TRP 31 3.462 0.925 6.994
71 1HB TRP 31 1HB TRP 31 2.223 2.363 8.560
72 2HB TRP 31 2HB TRP 31 1.227 0.993 9.040
73 HD1 TRP 31 HD1 TRP 31 1.938 0.139 11.301
74 HE1 TRP 31 HE1 TRP 31 4.123 -0.206 12.604
75 HE3 TRP 31 HE3 TRP 31 5.255 2.011 7.858
76 HZ2 TRP 31 HZ2 TRP 31 6.944 0.217 12.188
77 HZ3 TRP 31 HZ3 TRP 31 7.691 2.000 8.335
78 HH2 TRP 31 HH2 TRP 31 8.547 1.107 10.489
79 H LYS 32 H LYS 32 0.651 -1.100 6.725
80 HA LYS 32 HA LYS 32 2.368 -3.510 7.189
81 1HB LYS 32 1HB LYS 32 0.587 -3.221 8.911
82 2HB LYS 32 2HB LYS 32 -0.619 -3.202 7.638
83 1HG LYS 32 1HG LYS 32 -0.763 -5.306 8.584
84 2HG LYS 32 2HG LYS 32 0.037 -5.593 7.063
85 1HD LYS 32 1HD LYS 32 1.378 -5.421 9.805
86 2HD LYS 32 2HD LYS 32 0.896 -6.911 9.020
87 1HE LYS 32 1HE LYS 32 3.096 -5.021 8.095
88 2HE LYS 32 2HE LYS 32 3.291 -6.583 8.871
89 1HZ LYS 32 2HZ LYS 32 2.175 -7.603 6.928
90 2HZ LYS 32 3HZ LYS 32 2.126 -6.143 6.172
91 3HZ LYS 32 1HZ LYS 32 3.558 -6.844 6.512
92 H CYS 33 H CYS 33 0.169 -1.889 5.013
93 HA CYS 33 HA CYS 33 -0.191 -3.794 2.972
94 1HB CYS 33 1HB CYS 33 -1.294 -1.622 3.070
95 2HB CYS 33 2HB CYS 33 0.277 -0.804 2.974
96 H GLY 34 H GLY 34 2.603 -1.670 3.644
97 1HA GLY 34 2HA GLY 34 4.244 -3.031 1.545
98 2HA GLY 34 1HA GLY 34 4.696 -3.211 3.233
99 H LYS 35 H LYS 35 3.886 -0.235 3.688
100 HA LYS 35 HA LYS 35 5.165 1.641 2.172
101 1HB LYS 35 1HB LYS 35 3.836 1.937 4.298
102 2HB LYS 35 2HB LYS 35 5.291 1.529 5.212
103 1HG LYS 35 1HG LYS 35 6.377 3.571 4.026
104 2HG LYS 35 2HG LYS 35 4.750 3.925 3.423
105 1HD LYS 35 1HD LYS 35 4.073 3.741 5.987
106 2HD LYS 35 2HD LYS 35 5.803 3.874 6.277
107 1HE LYS 35 1HE LYS 35 4.841 6.054 6.496
108 2HE LYS 35 2HE LYS 35 5.828 6.051 5.031
109 1HZ LYS 35 1HZ LYS 35 2.895 5.571 5.001
110 2HZ LYS 35 2HZ LYS 35 3.545 7.073 4.808
111 3HZ LYS 35 3HZ LYS 35 3.842 5.899 3.713
112 H THR 36 H THR 36 6.852 -0.597 4.272
113 HA THR 36 HA THR 36 9.426 0.583 4.422
114 HB THR 36 HB THR 36 10.168 -1.751 4.942
115 HG1 THR 36 HG1 THR 36 8.576 -3.341 5.001
116 1HG2 THR 36 3HG2 THR 36 9.168 -0.280 6.709
117 2HG2 THR 36 1HG2 THR 36 7.571 -0.977 6.360
118 3HG2 THR 36 2HG2 THR 36 8.875 -2.004 6.989
119 H GLY 37 H GLY 37 7.954 -0.968 1.638
120 1HA GLY 37 2HA GLY 37 10.294 -1.853 0.284
121 2HA GLY 37 1HA GLY 37 10.140 -0.126 -0.016
122 H HIS 38 H HIS 38 6.954 -1.260 0.100
123 HA HIS 38 HA HIS 38 6.774 -2.544 -2.458
124 1HB HIS 38 1HB HIS 38 4.472 -2.618 -2.109
125 2HB HIS 38 2HB HIS 38 5.193 -2.813 -0.531
126 HD1 HIS 38 HD1 HIS 38 5.311 0.800 -0.865
127 HD2 HIS 38 HD2 HIS 38 2.279 -2.081 -0.442
128 HE1 HIS 38 HE1 HIS 38 3.264 2.036 0.022
129 H VAL 39 H VAL 39 5.014 -1.697 -4.035
130 HA VAL 39 HA VAL 39 5.509 1.118 -4.884
131 HB VAL 39 HB VAL 39 5.791 0.278 -7.225
132 1HG1 VAL 39 2HG1 VAL 39 7.737 0.970 -5.874
133 2HG1 VAL 39 3HG1 VAL 39 7.947 -0.706 -5.322
134 3HG1 VAL 39 1HG1 VAL 39 8.136 -0.304 -7.039
135 1HG2 VAL 39 2HG2 VAL 39 4.835 -2.030 -6.890
136 2HG2 VAL 39 3HG2 VAL 39 6.415 -2.009 -7.687
137 3HG2 VAL 39 1HG2 VAL 39 6.296 -2.458 -5.978
138 H MET 40 H MET 40 4.020 1.772 -6.668
139 HA MET 40 HA MET 40 1.308 1.395 -6.039
140 1HB MET 40 1HB MET 40 0.823 2.660 -8.013
141 2HB MET 40 2HB MET 40 2.229 3.353 -7.217
142 1HG MET 40 1HG MET 40 2.307 1.543 -9.671
143 2HG MET 40 2HG MET 40 2.377 3.296 -9.699
144 1HE MET 40 1HE MET 40 4.492 3.002 -11.319
145 2HE MET 40 2HE MET 40 5.960 2.114 -10.857
146 3HE MET 40 3HE MET 40 4.439 1.234 -11.121
147 H ALA 41 H ALA 41 3.289 -0.616 -8.116
148 HA ALA 41 HA ALA 41 1.084 -2.022 -9.385
149 1HB ALA 41 1HB ALA 41 3.338 -1.784 -10.390
150 2HB ALA 41 2HB ALA 41 4.028 -2.763 -9.076
151 3HB ALA 41 3HB ALA 41 2.872 -3.483 -10.212
152 H LYS 42 H LYS 42 2.153 -2.118 -6.183
153 HA LYS 42 HA LYS 42 1.141 -4.906 -5.724
154 1HB LYS 42 1HB LYS 42 3.782 -4.317 -5.715
155 2HB LYS 42 2HB LYS 42 3.405 -3.754 -4.097
156 1HG LYS 42 1HG LYS 42 4.118 -5.973 -3.816
157 2HG LYS 42 2HG LYS 42 2.359 -6.092 -3.694
158 1HD LYS 42 1HD LYS 42 2.278 -6.838 -6.102
159 2HD LYS 42 2HD LYS 42 4.028 -6.634 -6.199
160 1HE LYS 42 1HE LYS 42 3.743 -8.936 -5.904
161 2HE LYS 42 2HE LYS 42 4.248 -8.339 -4.319
162 1HZ LYS 42 2HZ LYS 42 1.429 -8.909 -5.117
163 2HZ LYS 42 3HZ LYS 42 2.350 -9.872 -4.144
164 3HZ LYS 42 1HZ LYS 42 1.844 -8.372 -3.683
165 H CYS 43 H CYS 43 1.368 -1.631 -4.490
166 HA CYS 43 HA CYS 43 0.327 -1.936 -1.924
167 1HB CYS 43 1HB CYS 43 1.448 0.037 -2.736
168 2HB CYS 43 2HB CYS 43 0.210 0.332 -3.948
169 HA PRO 44 HA PRO 44 -4.161 -1.045 -3.700
170 1HB PRO 44 1HB PRO 44 -3.975 -2.816 -6.143
171 2HB PRO 44 2HB PRO 44 -5.018 -1.384 -5.865
172 1HG PRO 44 1HG PRO 44 -2.756 -1.137 -7.325
173 2HG PRO 44 2HG PRO 44 -3.155 0.103 -6.090
174 1HD PRO 44 1HD PRO 44 -1.223 -2.211 -5.878
175 2HD PRO 44 2HD PRO 44 -1.023 -0.512 -5.362
176 H GLU 45 H GLU 45 -2.538 -4.157 -3.999
177 HA GLU 45 HA GLU 45 -4.549 -6.050 -3.651
178 1HB GLU 45 1HB GLU 45 -1.769 -5.960 -2.454
179 2HB GLU 45 2HB GLU 45 -2.748 -7.426 -2.615
180 1HG GLU 45 1HG GLU 45 -2.690 -7.203 -5.073
181 2HG GLU 45 2HG GLU 45 -1.692 -5.749 -4.934
182 H ARG 46 H ARG 46 -3.267 -3.890 -1.188
183 HA ARG 46 HA ARG 46 -4.982 -5.164 0.934
184 1HB ARG 46 1HB ARG 46 -2.134 -4.120 1.047
185 2HB ARG 46 2HB ARG 46 -3.095 -4.343 2.509
186 1HG ARG 46 1HG ARG 46 -3.337 -6.688 2.173
187 2HG ARG 46 2HG ARG 46 -2.710 -6.619 0.534
188 1HD ARG 46 1HD ARG 46 -1.103 -6.063 3.060
189 2HD ARG 46 2HD ARG 46 -1.066 -7.564 2.136
190 HE ARG 46 HE ARG 46 0.379 -5.129 1.549
191 1HH1 ARG 46 2HH2 ARG 46 -0.909 -7.935 -0.131
192 2HH1 ARG 46 1HH2 ARG 46 -0.163 -7.434 -1.643
193 1HH2 ARG 46 2HH1 ARG 46 1.255 -4.617 -0.313
194 2HH2 ARG 46 1HH1 ARG 46 0.850 -5.503 -1.779
195 H GLN 47 H GLN 47 -5.071 -2.612 -0.962
196 HA GLN 47 HA GLN 47 -6.181 -0.795 1.148
197 1HB GLN 47 1HB GLN 47 -4.381 0.019 -1.152
198 2HB GLN 47 2HB GLN 47 -5.161 1.130 -0.030
199 1HG GLN 47 1HG GLN 47 -3.113 -0.972 0.820
200 2HG GLN 47 2HG GLN 47 -2.733 0.677 0.391
201 1HE2 GLN 47 1HE2 GLN 47 -1.971 1.424 2.389
202 2HE2 GLN 47 2HE2 GLN 47 -3.066 1.558 3.765
203 H ALA 48 H ALA 48 -6.627 -2.136 -2.059
204 HA ALA 48 HA ALA 48 -8.550 -0.304 -3.050
205 1HB ALA 48 2HB ALA 48 -8.267 -3.307 -3.488
206 2HB ALA 48 1HB ALA 48 -7.454 -2.020 -4.411
207 3HB ALA 48 3HB ALA 48 -9.215 -2.193 -4.497
208 H GLY 49 H GLY 49 -8.902 -2.828 -0.612
209 1HA GLY 49 2HA GLY 49 -10.995 -3.759 0.221
210 2HA GLY 49 1HA GLY 49 -11.856 -2.331 -0.347
No H/Q in entry = 210
Start of MODEL 3
1 H1 ARG 23 2H ARG 23 -7.554 6.455 -6.094
2 H2 ARG 23 1H ARG 23 -7.734 4.848 -6.354
3 H3 ARG 23 3H ARG 23 -8.221 5.493 -4.940
4 HA ARG 23 HA ARG 23 -6.187 4.354 -4.539
5 1HB ARG 23 1HB ARG 23 -5.091 6.044 -6.803
6 2HB ARG 23 2HB ARG 23 -4.077 5.193 -5.639
7 1HG ARG 23 1HG ARG 23 -6.134 3.837 -7.438
8 2HG ARG 23 2HG ARG 23 -4.419 3.948 -7.787
9 1HD ARG 23 1HD ARG 23 -5.508 2.584 -5.284
10 2HD ARG 23 2HD ARG 23 -5.218 1.753 -6.804
11 HE ARG 23 HE ARG 23 -2.845 2.444 -6.650
12 1HH1 ARG 23 2HH1 ARG 23 -4.541 2.243 -3.484
13 2HH1 ARG 23 1HH1 ARG 23 -3.013 1.831 -2.743
14 1HH2 ARG 23 1HH2 ARG 23 -1.126 1.788 -5.528
15 2HH2 ARG 23 2HH2 ARG 23 -1.206 1.694 -3.784
16 H ALA 24 H ALA 24 -6.359 5.052 -2.560
17 HA ALA 24 HA ALA 24 -5.214 7.708 -1.836
18 1HB ALA 24 1HB ALA 24 -7.621 8.059 -2.131
19 2HB ALA 24 2HB ALA 24 -7.974 6.731 -1.004
20 3HB ALA 24 3HB ALA 24 -7.164 8.201 -0.425
21 HA PRO 25 HA PRO 25 -3.891 4.023 0.716
22 1HB PRO 25 1HB PRO 25 -1.155 4.506 0.739
23 2HB PRO 25 2HB PRO 25 -2.029 3.574 -0.515
24 1HG PRO 25 1HG PRO 25 -1.228 6.494 -0.572
25 2HG PRO 25 2HG PRO 25 -1.016 5.258 -1.855
26 1HD PRO 25 1HD PRO 25 -3.082 6.999 -1.915
27 2HD PRO 25 2HD PRO 25 -3.319 5.290 -2.391
28 H ARG 26 H ARG 26 -3.500 7.406 1.165
29 HA ARG 26 HA ARG 26 -2.446 7.817 3.695
30 1HB ARG 26 1HB ARG 26 -3.194 9.541 2.108
31 2HB ARG 26 2HB ARG 26 -4.870 9.078 2.358
32 1HG ARG 26 1HG ARG 26 -4.411 11.137 3.474
33 2HG ARG 26 2HG ARG 26 -4.785 9.926 4.686
34 1HD ARG 26 1HD ARG 26 -1.922 10.672 3.942
35 2HD ARG 26 2HD ARG 26 -2.869 11.592 5.124
36 HE ARG 26 HE ARG 26 -3.009 8.864 5.871
37 1HH1 ARG 26 2HH1 ARG 26 -0.618 11.427 5.867
38 2HH1 ARG 26 1HH1 ARG 26 0.255 10.733 7.206
39 1HH2 ARG 26 1HH2 ARG 26 -1.861 8.031 7.540
40 2HH2 ARG 26 2HH2 ARG 26 -0.440 8.845 8.131
41 H ARG 27 H ARG 27 -5.543 6.249 3.034
42 HA ARG 27 HA ARG 27 -6.707 6.300 5.622
43 1HB ARG 27 1HB ARG 27 -8.013 4.426 4.927
44 2HB ARG 27 2HB ARG 27 -7.806 5.495 3.540
45 1HG ARG 27 1HG ARG 27 -6.030 3.978 2.646
46 2HG ARG 27 2HG ARG 27 -6.223 2.932 4.058
47 1HD ARG 27 1HD ARG 27 -7.461 1.863 2.371
48 2HD ARG 27 2HD ARG 27 -8.645 2.616 3.423
49 HE ARG 27 HE ARG 27 -9.284 4.054 1.705
50 1HH1 ARG 27 2HH2 ARG 27 -6.345 2.440 0.662
51 2HH1 ARG 27 1HH2 ARG 27 -6.632 2.823 -1.031
52 1HH2 ARG 27 2HH1 ARG 27 -9.580 4.509 -0.427
53 2HH2 ARG 27 1HH1 ARG 27 -8.420 3.975 -1.618
54 H GLN 28 H GLN 28 -3.877 4.593 4.659
55 HA GLN 28 HA GLN 28 -3.627 3.337 7.372
56 1HB GLN 28 1HB GLN 28 -4.339 1.787 5.397
57 2HB GLN 28 2HB GLN 28 -2.716 2.070 4.776
58 1HG GLN 28 1HG GLN 28 -1.906 1.171 7.106
59 2HG GLN 28 2HG GLN 28 -3.559 0.576 7.268
60 1HE2 GLN 28 2HE2 GLN 28 -4.330 -0.807 5.270
61 2HE2 GLN 28 1HE2 GLN 28 -3.109 -1.796 4.504
62 H GLY 29 H GLY 29 -2.119 5.145 4.771
63 1HA GLY 29 2HA GLY 29 0.425 5.578 6.085
64 2HA GLY 29 1HA GLY 29 0.008 5.932 4.401
65 H CYS 30 H CYS 30 -0.832 3.128 3.921
66 HA CYS 30 HA CYS 30 -0.229 0.995 3.646
67 1HB CYS 30 1HB CYS 30 1.919 2.636 2.309
68 2HB CYS 30 2HB CYS 30 1.935 0.869 2.180
69 H TRP 31 H TRP 31 0.725 1.965 6.331
70 HA TRP 31 HA TRP 31 3.305 0.963 6.836
71 1HB TRP 31 1HB TRP 31 1.669 2.559 8.169
72 2HB TRP 31 2HB TRP 31 1.268 1.087 9.042
73 HD1 TRP 31 HD1 TRP 31 3.150 0.144 10.677
74 HE1 TRP 31 HE1 TRP 31 5.362 1.081 11.587
75 HE3 TRP 31 HE3 TRP 31 3.734 4.096 7.465
76 HZ2 TRP 31 HZ2 TRP 31 7.164 3.260 10.989
77 HZ3 TRP 31 HZ3 TRP 31 5.711 5.593 7.667
78 HH2 TRP 31 HH2 TRP 31 7.429 5.181 9.412
79 H LYS 32 H LYS 32 0.469 -0.902 6.439
80 HA LYS 32 HA LYS 32 1.910 -3.380 7.345
81 1HB LYS 32 1HB LYS 32 -0.083 -2.773 8.717
82 2HB LYS 32 2HB LYS 32 -1.099 -2.898 7.274
83 1HG LYS 32 1HG LYS 32 -0.522 -5.286 7.046
84 2HG LYS 32 2HG LYS 32 0.579 -5.182 8.422
85 1HD LYS 32 1HD LYS 32 -2.440 -4.732 8.481
86 2HD LYS 32 2HD LYS 32 -1.631 -6.214 8.974
87 1HE LYS 32 1HE LYS 32 -1.286 -3.491 10.317
88 2HE LYS 32 2HE LYS 32 -2.349 -4.780 10.878
89 1HZ LYS 32 2HZ LYS 32 -0.388 -6.198 11.175
90 2HZ LYS 32 3HZ LYS 32 0.609 -4.996 10.689
91 3HZ LYS 32 1HZ LYS 32 -0.252 -4.840 12.064
92 H CYS 33 H CYS 33 0.136 -1.789 4.780
93 HA CYS 33 HA CYS 33 -0.016 -3.833 2.835
94 1HB CYS 33 1HB CYS 33 -1.119 -1.635 2.752
95 2HB CYS 33 2HB CYS 33 0.461 -0.842 2.646
96 H GLY 34 H GLY 34 2.694 -1.645 3.627
97 1HA GLY 34 2HA GLY 34 4.515 -3.184 1.808
98 2HA GLY 34 1HA GLY 34 4.837 -3.141 3.537
99 H LYS 35 H LYS 35 3.968 -0.159 3.599
100 HA LYS 35 HA LYS 35 5.379 1.444 1.844
101 1HB LYS 35 1HB LYS 35 3.723 2.172 3.494
102 2HB LYS 35 2HB LYS 35 4.865 1.968 4.809
103 1HG LYS 35 1HG LYS 35 5.663 3.731 2.491
104 2HG LYS 35 2HG LYS 35 4.378 4.319 3.525
105 1HD LYS 35 1HD LYS 35 5.690 4.467 5.427
106 2HD LYS 35 2HD LYS 35 6.928 3.355 4.855
107 1HE LYS 35 1HE LYS 35 6.399 6.026 3.499
108 2HE LYS 35 2HE LYS 35 7.485 5.884 4.885
109 1HZ LYS 35 1HZ LYS 35 7.844 4.278 2.411
110 2HZ LYS 35 2HZ LYS 35 8.631 5.692 2.696
111 3HZ LYS 35 3HZ LYS 35 8.880 4.396 3.655
112 H THR 36 H THR 36 6.887 -0.412 4.349
113 HA THR 36 HA THR 36 9.421 0.852 4.536
114 HB THR 36 HB THR 36 8.560 -0.952 5.988
115 HG1 THR 36 HG1 THR 36 11.086 -1.409 4.791
116 1HG2 THR 36 1HG2 THR 36 7.713 -2.547 4.293
117 2HG2 THR 36 2HG2 THR 36 9.377 -2.872 3.764
118 3HG2 THR 36 3HG2 THR 36 8.862 -3.294 5.408
119 H GLY 37 H GLY 37 8.108 -0.884 1.771
120 1HA GLY 37 2HA GLY 37 10.525 -1.683 0.507
121 2HA GLY 37 1HA GLY 37 10.271 0.016 0.119
122 H HIS 38 H HIS 38 7.151 -1.254 0.234
123 HA HIS 38 HA HIS 38 7.074 -2.716 -2.223
124 1HB HIS 38 1HB HIS 38 4.794 -2.863 -1.913
125 2HB HIS 38 2HB HIS 38 5.441 -2.836 -0.294
126 HD1 HIS 38 HD1 HIS 38 5.424 0.716 -0.966
127 HD2 HIS 38 HD2 HIS 38 2.468 -2.243 -0.589
128 HE1 HIS 38 HE1 HIS 38 3.241 1.939 -0.464
129 H VAL 39 H VAL 39 5.314 -2.035 -3.905
130 HA VAL 39 HA VAL 39 5.886 0.711 -4.963
131 HB VAL 39 HB VAL 39 5.544 -1.852 -6.577
132 1HG1 VAL 39 3HG1 VAL 39 6.312 0.976 -7.434
133 2HG1 VAL 39 1HG1 VAL 39 6.344 -0.459 -8.477
134 3HG1 VAL 39 2HG1 VAL 39 4.808 0.122 -7.855
135 1HG2 VAL 39 3HG2 VAL 39 8.068 -0.241 -5.990
136 2HG2 VAL 39 1HG2 VAL 39 7.730 -1.904 -5.458
137 3HG2 VAL 39 2HG2 VAL 39 7.945 -1.564 -7.172
138 H MET 40 H MET 40 4.139 1.777 -5.933
139 HA MET 40 HA MET 40 1.606 1.259 -4.793
140 1HB MET 40 1HB MET 40 2.469 3.136 -7.016
141 2HB MET 40 2HB MET 40 0.831 3.119 -6.355
142 1HG MET 40 1HG MET 40 3.348 3.610 -4.726
143 2HG MET 40 2HG MET 40 2.238 4.848 -5.307
144 1HE MET 40 2HE MET 40 3.229 4.451 -2.257
145 2HE MET 40 3HE MET 40 2.172 5.783 -2.781
146 3HE MET 40 1HE MET 40 1.717 4.782 -1.384
147 H ALA 41 H ALA 41 2.838 -0.279 -7.580
148 HA ALA 41 HA ALA 41 0.221 -1.014 -8.697
149 1HB ALA 41 2HB ALA 41 2.220 -0.777 -10.125
150 2HB ALA 41 3HB ALA 41 3.039 -2.069 -9.215
151 3HB ALA 41 1HB ALA 41 1.589 -2.433 -10.175
152 H LYS 42 H LYS 42 2.559 -2.424 -6.404
153 HA LYS 42 HA LYS 42 1.162 -4.999 -6.065
154 1HB LYS 42 1HB LYS 42 3.535 -4.862 -5.640
155 2HB LYS 42 2HB LYS 42 3.358 -3.531 -4.511
156 1HG LYS 42 1HG LYS 42 2.104 -6.239 -3.975
157 2HG LYS 42 2HG LYS 42 3.792 -5.923 -3.617
158 1HD LYS 42 1HD LYS 42 3.339 -4.868 -1.690
159 2HD LYS 42 2HD LYS 42 2.169 -3.793 -2.447
160 1HE LYS 42 1HE LYS 42 0.540 -5.782 -2.421
161 2HE LYS 42 2HE LYS 42 1.701 -6.611 -1.389
162 1HZ LYS 42 1HZ LYS 42 0.321 -4.048 -0.714
163 2HZ LYS 42 2HZ LYS 42 -0.011 -5.538 -0.126
164 3HZ LYS 42 3HZ LYS 42 1.415 -4.806 0.249
165 H CYS 43 H CYS 43 1.276 -1.885 -4.507
166 HA CYS 43 HA CYS 43 0.272 -2.189 -2.097
167 1HB CYS 43 1HB CYS 43 1.178 -0.187 -2.953
168 2HB CYS 43 2HB CYS 43 -0.115 -0.020 -4.135
169 HA PRO 44 HA PRO 44 -4.492 -1.767 -3.316
170 1HB PRO 44 1HB PRO 44 -4.312 -3.577 -5.730
171 2HB PRO 44 2HB PRO 44 -5.547 -2.334 -5.342
172 1HG PRO 44 1HG PRO 44 -3.545 -1.728 -7.047
173 2HG PRO 44 2HG PRO 44 -3.989 -0.559 -5.760
174 1HD PRO 44 1HD PRO 44 -1.701 -2.527 -5.808
175 2HD PRO 44 2HD PRO 44 -1.707 -0.818 -5.286
176 H GLU 45 H GLU 45 -2.519 -4.705 -3.584
177 HA GLU 45 HA GLU 45 -4.371 -6.679 -2.759
178 1HB GLU 45 1HB GLU 45 -2.322 -7.250 -3.731
179 2HB GLU 45 2HB GLU 45 -1.375 -6.362 -2.565
180 1HG GLU 45 1HG GLU 45 -3.004 -8.737 -1.631
181 2HG GLU 45 2HG GLU 45 -1.528 -8.989 -2.547
182 H ARG 46 H ARG 46 -2.994 -4.142 -0.781
183 HA ARG 46 HA ARG 46 -4.548 -5.195 1.553
184 1HB ARG 46 1HB ARG 46 -1.649 -4.820 1.380
185 2HB ARG 46 2HB ARG 46 -2.314 -3.819 2.652
186 1HG ARG 46 1HG ARG 46 -3.331 -5.675 3.771
187 2HG ARG 46 2HG ARG 46 -3.019 -6.769 2.417
188 1HD ARG 46 1HD ARG 46 -0.810 -5.433 4.028
189 2HD ARG 46 2HD ARG 46 -1.468 -7.032 4.394
190 HE ARG 46 HE ARG 46 -0.847 -7.135 1.682
191 1HH1 ARG 46 1HH1 ARG 46 1.288 -6.307 4.344
192 2HH1 ARG 46 2HH1 ARG 46 2.558 -7.319 3.711
193 1HH2 ARG 46 1HH2 ARG 46 0.692 -8.406 1.005
194 2HH2 ARG 46 2HH2 ARG 46 2.266 -8.425 1.789
195 H GLN 47 H GLN 47 -4.889 -3.058 -0.566
196 HA GLN 47 HA GLN 47 -5.772 -0.856 1.270
197 1HB GLN 47 1HB GLN 47 -4.025 -0.718 -1.203
198 2HB GLN 47 2HB GLN 47 -4.992 0.666 -0.736
199 1HG GLN 47 1HG GLN 47 -3.077 -0.649 1.246
200 2HG GLN 47 2HG GLN 47 -2.568 0.557 0.088
201 1HE2 GLN 47 1HE2 GLN 47 -1.939 1.854 1.944
202 2HE2 GLN 47 2HE2 GLN 47 -3.183 2.873 2.660
203 H ALA 48 H ALA 48 -6.506 -2.795 -1.526
204 HA ALA 48 HA ALA 48 -8.151 -2.974 -2.969
205 1HB ALA 48 2HB ALA 48 -9.853 -1.593 -0.872
206 2HB ALA 48 3HB ALA 48 -10.422 -2.639 -2.187
207 3HB ALA 48 1HB ALA 48 -9.416 -3.317 -0.894
208 H GLY 49 H GLY 49 -7.382 0.308 -2.235
209 1HA GLY 49 2HA GLY 49 -9.015 1.676 -4.155
210 2HA GLY 49 1HA GLY 49 -7.464 1.238 -4.888
No H/Q in entry = 210
Start of MODEL 4
1 H1 ARG 23 1H ARG 23 -9.206 -1.609 3.373
2 H2 ARG 23 3H ARG 23 -10.449 -1.724 2.295
3 H3 ARG 23 2H ARG 23 -9.150 -2.731 2.194
4 HA ARG 23 HA ARG 23 -7.677 -0.949 1.695
5 1HB ARG 23 1HB ARG 23 -8.831 -2.190 -0.163
6 2HB ARG 23 2HB ARG 23 -10.043 -0.919 -0.204
7 1HG ARG 23 1HG ARG 23 -8.662 -0.233 -1.883
8 2HG ARG 23 2HG ARG 23 -7.962 0.704 -0.576
9 1HD ARG 23 1HD ARG 23 -6.922 -1.989 -1.568
10 2HD ARG 23 2HD ARG 23 -6.347 -0.424 -2.142
11 HE ARG 23 HE ARG 23 -5.982 -0.399 0.670
12 1HH1 ARG 23 1HH2 ARG 23 -4.676 -2.161 -2.053
13 2HH1 ARG 23 2HH2 ARG 23 -3.119 -2.345 -1.277
14 1HH2 ARG 23 2HH1 ARG 23 -4.152 -0.706 1.581
15 2HH2 ARG 23 1HH1 ARG 23 -2.822 -1.570 0.794
16 H ALA 24 H ALA 24 -7.503 0.626 3.114
17 HA ALA 24 HA ALA 24 -8.747 3.229 2.599
18 1HB ALA 24 1HB ALA 24 -10.416 2.238 4.104
19 2HB ALA 24 3HB ALA 24 -9.504 3.493 4.958
20 3HB ALA 24 2HB ALA 24 -9.148 1.778 5.260
21 HA PRO 25 HA PRO 25 -4.270 2.639 3.847
22 1HB PRO 25 1HB PRO 25 -3.063 4.267 1.964
23 2HB PRO 25 2HB PRO 25 -3.490 2.547 1.717
24 1HG PRO 25 1HG PRO 25 -5.082 4.993 0.906
25 2HG PRO 25 2HG PRO 25 -4.690 3.545 -0.078
26 1HD PRO 25 1HD PRO 25 -7.086 3.798 1.155
27 2HD PRO 25 2HD PRO 25 -6.254 2.213 1.101
28 H ARG 26 H ARG 26 -6.143 5.588 3.438
29 HA ARG 26 HA ARG 26 -4.556 7.523 4.708
30 1HB ARG 26 1HB ARG 26 -6.707 7.953 3.600
31 2HB ARG 26 2HB ARG 26 -7.571 7.094 4.885
32 1HG ARG 26 1HG ARG 26 -6.874 8.781 6.532
33 2HG ARG 26 2HG ARG 26 -5.879 9.600 5.313
34 1HD ARG 26 1HD ARG 26 -7.902 10.160 4.016
35 2HD ARG 26 2HD ARG 26 -8.896 9.219 5.127
36 HE ARG 26 HE ARG 26 -8.850 10.922 6.685
37 1HH1 ARG 26 2HH2 ARG 26 -6.469 11.759 4.247
38 2HH1 ARG 26 1HH2 ARG 26 -6.222 13.349 4.915
39 1HH2 ARG 26 2HH1 ARG 26 -8.480 12.952 7.476
40 2HH2 ARG 26 1HH1 ARG 26 -7.335 14.001 6.691
41 H ARG 27 H ARG 27 -6.428 4.939 6.334
42 HA ARG 27 HA ARG 27 -5.630 6.014 8.980
43 1HB ARG 27 1HB ARG 27 -7.098 4.492 10.000
44 2HB ARG 27 2HB ARG 27 -7.915 5.265 8.665
45 1HG ARG 27 1HG ARG 27 -8.642 3.012 8.788
46 2HG ARG 27 2HG ARG 27 -7.689 3.169 7.324
47 1HD ARG 27 1HD ARG 27 -5.787 2.039 8.430
48 2HD ARG 27 2HD ARG 27 -6.643 2.059 9.967
49 HE ARG 27 HE ARG 27 -7.778 0.162 9.344
50 1HH1 ARG 27 1HH2 ARG 27 -6.619 1.522 6.303
51 2HH1 ARG 27 2HH2 ARG 27 -6.812 -0.025 5.508
52 1HH2 ARG 27 2HH1 ARG 27 -7.882 -1.763 8.180
53 2HH2 ARG 27 1HH1 ARG 27 -7.320 -1.799 6.530
54 H GLN 28 H GLN 28 -3.969 4.239 6.823
55 HA GLN 28 HA GLN 28 -2.512 2.646 8.902
56 1HB GLN 28 1HB GLN 28 -3.993 1.310 7.418
57 2HB GLN 28 2HB GLN 28 -3.163 1.948 6.006
58 1HG GLN 28 1HG GLN 28 -2.469 -0.338 6.534
59 2HG GLN 28 2HG GLN 28 -1.109 0.763 6.637
60 1HE2 GLN 28 2HE2 GLN 28 -0.261 1.295 8.814
61 2HE2 GLN 28 1HE2 GLN 28 -0.613 0.192 10.144
62 H GLY 29 H GLY 29 -2.163 4.953 6.302
63 1HA GLY 29 2HA GLY 29 0.572 5.570 6.705
64 2HA GLY 29 1HA GLY 29 -0.384 5.911 5.253
65 H CYS 30 H CYS 30 -0.949 3.167 4.590
66 HA CYS 30 HA CYS 30 -0.252 1.141 4.001
67 1HB CYS 30 1HB CYS 30 1.496 3.055 2.487
68 2HB CYS 30 2HB CYS 30 1.790 1.326 2.303
69 H TRP 31 H TRP 31 1.273 2.147 6.570
70 HA TRP 31 HA TRP 31 3.849 1.014 6.448
71 1HB TRP 31 1HB TRP 31 2.301 2.406 8.356
72 2HB TRP 31 2HB TRP 31 2.786 0.928 9.159
73 HD1 TRP 31 HD1 TRP 31 5.644 0.439 8.507
74 HE1 TRP 31 HE1 TRP 31 7.562 2.098 8.910
75 HE3 TRP 31 HE3 TRP 31 2.920 4.774 8.798
76 HZ2 TRP 31 HZ2 TRP 31 7.884 4.946 9.240
77 HZ3 TRP 31 HZ3 TRP 31 4.068 6.953 9.168
78 HH2 TRP 31 HH2 TRP 31 6.542 7.049 9.376
79 H LYS 32 H LYS 32 0.853 -0.658 7.061
80 HA LYS 32 HA LYS 32 2.325 -3.227 7.464
81 1HB LYS 32 1HB LYS 32 0.601 -2.552 9.153
82 2HB LYS 32 2HB LYS 32 -0.605 -2.556 7.874
83 1HG LYS 32 1HG LYS 32 -0.929 -4.506 9.093
84 2HG LYS 32 2HG LYS 32 -0.246 -5.033 7.579
85 1HD LYS 32 1HD LYS 32 1.283 -4.721 10.208
86 2HD LYS 32 2HD LYS 32 0.553 -6.216 9.661
87 1HE LYS 32 1HE LYS 32 2.912 -4.792 8.371
88 2HE LYS 32 2HE LYS 32 2.942 -6.266 9.321
89 1HZ LYS 32 2HZ LYS 32 1.539 -7.312 7.580
90 2HZ LYS 32 3HZ LYS 32 1.666 -5.955 6.658
91 3HZ LYS 32 1HZ LYS 32 2.991 -6.839 7.008
92 H CYS 33 H CYS 33 0.377 -1.529 5.150
93 HA CYS 33 HA CYS 33 -0.317 -3.646 3.350
94 1HB CYS 33 1HB CYS 33 -1.272 -1.363 3.357
95 2HB CYS 33 2HB CYS 33 0.320 -0.694 2.945
96 H GLY 34 H GLY 34 2.551 -1.521 3.618
97 1HA GLY 34 2HA GLY 34 4.121 -3.257 1.764
98 2HA GLY 34 1HA GLY 34 4.567 -3.213 3.467
99 H LYS 35 H LYS 35 3.868 -0.111 3.373
100 HA LYS 35 HA LYS 35 5.398 1.227 1.479
101 1HB LYS 35 1HB LYS 35 3.818 2.224 3.123
102 2HB LYS 35 2HB LYS 35 5.045 2.044 4.382
103 1HG LYS 35 1HG LYS 35 6.544 3.598 3.122
104 2HG LYS 35 2HG LYS 35 5.358 3.670 1.808
105 1HD LYS 35 1HD LYS 35 5.182 5.671 3.130
106 2HD LYS 35 2HD LYS 35 3.731 4.697 3.388
107 1HE LYS 35 1HE LYS 35 4.863 3.781 5.502
108 2HE LYS 35 2HE LYS 35 6.158 4.959 5.238
109 1HZ LYS 35 1HZ LYS 35 4.426 6.708 5.385
110 2HZ LYS 35 2HZ LYS 35 3.290 5.549 5.669
111 3HZ LYS 35 3HZ LYS 35 4.488 5.815 6.760
112 H THR 36 H THR 36 6.725 -0.550 4.140
113 HA THR 36 HA THR 36 9.376 0.465 4.287
114 HB THR 36 HB THR 36 9.928 -1.845 5.086
115 HG1 THR 36 HG1 THR 36 8.216 -3.296 5.263
116 1HG2 THR 36 2HG2 THR 36 8.996 -0.115 6.640
117 2HG2 THR 36 3HG2 THR 36 7.360 -0.724 6.310
118 3HG2 THR 36 1HG2 THR 36 8.559 -1.768 7.098
119 H GLY 37 H GLY 37 7.881 -1.268 1.647
120 1HA GLY 37 2HA GLY 37 10.015 -2.454 0.309
121 2HA GLY 37 1HA GLY 37 10.240 -0.729 0.034
122 H HIS 38 H HIS 38 6.859 -1.540 0.131
123 HA HIS 38 HA HIS 38 6.610 -2.488 -2.562
124 1HB HIS 38 1HB HIS 38 4.344 -2.615 -2.202
125 2HB HIS 38 2HB HIS 38 5.026 -2.915 -0.624
126 HD1 HIS 38 HD1 HIS 38 4.937 0.786 -1.045
127 HD2 HIS 38 HD2 HIS 38 2.206 -2.315 -0.263
128 HE1 HIS 38 HE1 HIS 38 2.849 1.891 -0.085
129 H VAL 39 H VAL 39 5.085 -1.465 -4.125
130 HA VAL 39 HA VAL 39 5.371 1.484 -4.480
131 HB VAL 39 HB VAL 39 5.930 -0.641 -6.606
132 1HG1 VAL 39 2HG1 VAL 39 6.040 2.403 -6.780
133 2HG1 VAL 39 3HG1 VAL 39 6.716 1.299 -7.993
134 3HG1 VAL 39 1HG1 VAL 39 4.988 1.307 -7.719
135 1HG2 VAL 39 1HG2 VAL 39 7.836 1.302 -5.229
136 2HG2 VAL 39 2HG2 VAL 39 7.848 -0.469 -5.080
137 3HG2 VAL 39 3HG2 VAL 39 8.246 0.276 -6.622
138 H MET 40 H MET 40 3.662 2.296 -6.019
139 HA MET 40 HA MET 40 1.085 1.348 -5.491
140 1HB MET 40 1HB MET 40 0.315 2.863 -7.208
141 2HB MET 40 2HB MET 40 1.607 3.609 -6.269
142 1HG MET 40 1HG MET 40 3.223 3.072 -8.091
143 2HG MET 40 2HG MET 40 1.911 2.350 -9.029
144 1HE MET 40 2HE MET 40 3.885 4.523 -10.181
145 2HE MET 40 3HE MET 40 2.550 3.800 -11.108
146 3HE MET 40 1HE MET 40 2.749 5.565 -11.064
147 H ALA 41 H ALA 41 3.248 0.030 -7.892
148 HA ALA 41 HA ALA 41 1.228 -1.427 -9.404
149 1HB ALA 41 1HB ALA 41 3.391 -0.693 -10.360
150 2HB ALA 41 2HB ALA 41 4.259 -1.739 -9.209
151 3HB ALA 41 3HB ALA 41 3.208 -2.453 -10.450
152 H LYS 42 H LYS 42 2.445 -1.893 -6.293
153 HA LYS 42 HA LYS 42 1.920 -4.848 -6.257
154 1HB LYS 42 1HB LYS 42 4.349 -4.171 -6.251
155 2HB LYS 42 2HB LYS 42 4.066 -3.273 -4.768
156 1HG LYS 42 1HG LYS 42 5.131 -5.380 -4.298
157 2HG LYS 42 2HG LYS 42 3.523 -5.381 -3.577
158 1HD LYS 42 1HD LYS 42 2.666 -6.885 -5.242
159 2HD LYS 42 2HD LYS 42 4.068 -6.625 -6.307
160 1HE LYS 42 1HE LYS 42 5.557 -7.700 -4.684
161 2HE LYS 42 2HE LYS 42 4.219 -7.904 -3.546
162 1HZ LYS 42 1HZ LYS 42 4.282 -9.160 -6.237
163 2HZ LYS 42 2HZ LYS 42 4.692 -9.927 -4.852
164 3HZ LYS 42 3HZ LYS 42 3.160 -9.417 -5.058
165 H CYS 43 H CYS 43 1.727 -1.799 -4.458
166 HA CYS 43 HA CYS 43 0.582 -2.498 -2.064
167 1HB CYS 43 1HB CYS 43 1.244 -0.272 -2.743
168 2HB CYS 43 2HB CYS 43 -0.028 -0.193 -3.954
169 HA PRO 44 HA PRO 44 -3.882 -2.966 -4.136
170 1HB PRO 44 1HB PRO 44 -2.875 -4.279 -6.665
171 2HB PRO 44 2HB PRO 44 -4.411 -3.394 -6.389
172 1HG PRO 44 1HG PRO 44 -2.346 -2.142 -7.592
173 2HG PRO 44 2HG PRO 44 -3.258 -1.292 -6.299
174 1HD PRO 44 1HD PRO 44 -0.612 -2.733 -6.108
175 2HD PRO 44 2HD PRO 44 -1.091 -1.149 -5.430
176 H GLU 45 H GLU 45 -1.196 -5.253 -4.198
177 HA GLU 45 HA GLU 45 -2.707 -7.709 -4.083
178 1HB GLU 45 1HB GLU 45 -0.328 -7.444 -4.738
179 2HB GLU 45 2HB GLU 45 0.063 -6.970 -3.091
180 1HG GLU 45 1HG GLU 45 -0.545 -9.229 -2.282
181 2HG GLU 45 2HG GLU 45 -0.931 -9.704 -3.949
182 H ARG 46 H ARG 46 -2.246 -5.210 -1.736
183 HA ARG 46 HA ARG 46 -2.876 -7.025 0.569
184 1HB ARG 46 1HB ARG 46 -1.258 -4.455 0.594
185 2HB ARG 46 2HB ARG 46 -1.597 -5.508 1.965
186 1HG ARG 46 1HG ARG 46 0.443 -6.354 1.489
187 2HG ARG 46 2HG ARG 46 -0.458 -7.345 0.347
188 1HD ARG 46 1HD ARG 46 0.029 -5.542 -1.416
189 2HD ARG 46 2HD ARG 46 1.077 -4.764 -0.251
190 HE ARG 46 HE ARG 46 1.565 -7.289 -1.712
191 1HH1 ARG 46 2HH1 ARG 46 2.703 -5.408 1.040
192 2HH1 ARG 46 1HH1 ARG 46 4.223 -6.279 1.057
193 1HH2 ARG 46 2HH2 ARG 46 3.288 -8.359 -1.554
194 2HH2 ARG 46 1HH2 ARG 46 4.577 -7.960 -0.410
195 H GLN 47 H GLN 47 -5.041 -6.441 -0.586
196 HA GLN 47 HA GLN 47 -6.423 -4.046 -0.230
197 1HB GLN 47 1HB GLN 47 -7.439 -6.912 -0.110
198 2HB GLN 47 2HB GLN 47 -8.491 -5.509 -0.239
199 1HG GLN 47 1HG GLN 47 -6.367 -6.276 -2.290
200 2HG GLN 47 2HG GLN 47 -8.079 -6.640 -2.418
201 1HE2 GLN 47 1HE2 GLN 47 -5.963 -4.682 -3.813
202 2HE2 GLN 47 2HE2 GLN 47 -7.003 -3.275 -4.071
203 H ALA 48 H ALA 48 -5.591 -6.245 2.374
204 HA ALA 48 HA ALA 48 -7.498 -5.447 4.330
205 1HB ALA 48 1HB ALA 48 -5.834 -6.338 5.915
206 2HB ALA 48 2HB ALA 48 -6.019 -7.413 4.517
207 3HB ALA 48 3HB ALA 48 -4.599 -6.345 4.639
208 H GLY 49 H GLY 49 -4.750 -3.678 3.047
209 1HA GLY 49 2HA GLY 49 -3.857 -1.575 3.598
210 2HA GLY 49 1HA GLY 49 -4.701 -1.603 5.151
No H/Q in entry = 210
Start of MODEL 5
1 H1 ARG 23 3H ARG 23 -7.731 -3.675 6.380
2 H2 ARG 23 2H ARG 23 -9.172 -3.305 7.083
3 H3 ARG 23 1H ARG 23 -8.964 -4.740 6.291
4 HA ARG 23 HA ARG 23 -8.648 -3.625 4.199
5 1HB ARG 23 1HB ARG 23 -11.212 -2.816 5.642
6 2HB ARG 23 2HB ARG 23 -10.941 -2.612 3.910
7 1HG ARG 23 1HG ARG 23 -10.594 -5.049 3.643
8 2HG ARG 23 2HG ARG 23 -10.934 -5.301 5.361
9 1HD ARG 23 1HD ARG 23 -12.855 -4.056 3.353
10 2HD ARG 23 2HD ARG 23 -12.876 -5.754 3.855
11 HE ARG 23 HE ARG 23 -13.058 -4.478 6.257
12 1HH1 ARG 23 1HH2 ARG 23 -14.990 -4.193 3.352
13 2HH1 ARG 23 2HH2 ARG 23 -16.414 -3.720 4.239
14 1HH2 ARG 23 2HH1 ARG 23 -14.896 -3.854 7.320
15 2HH2 ARG 23 1HH1 ARG 23 -16.354 -3.543 6.426
16 H ALA 24 H ALA 24 -8.508 -1.745 2.969
17 HA ALA 24 HA ALA 24 -7.775 0.315 2.443
18 1HB ALA 24 2HB ALA 24 -9.538 1.228 4.730
19 2HB ALA 24 1HB ALA 24 -10.061 0.865 3.068
20 3HB ALA 24 3HB ALA 24 -8.952 2.214 3.376
21 HA PRO 25 HA PRO 25 -4.367 0.329 5.656
22 1HB PRO 25 1HB PRO 25 -2.271 -0.148 3.967
23 2HB PRO 25 2HB PRO 25 -3.282 -1.435 4.686
24 1HG PRO 25 1HG PRO 25 -3.558 -0.166 1.942
25 2HG PRO 25 2HG PRO 25 -3.524 -1.912 2.350
26 1HD PRO 25 1HD PRO 25 -5.860 -0.616 1.983
27 2HD PRO 25 2HD PRO 25 -5.694 -1.835 3.282
28 H ARG 26 H ARG 26 -5.135 2.250 2.897
29 HA ARG 26 HA ARG 26 -3.261 4.362 3.073
30 1HB ARG 26 1HB ARG 26 -4.948 4.216 1.317
31 2HB ARG 26 2HB ARG 26 -6.254 4.366 2.492
32 1HG ARG 26 1HG ARG 26 -5.928 6.449 1.252
33 2HG ARG 26 2HG ARG 26 -5.643 6.681 2.970
34 1HD ARG 26 1HD ARG 26 -3.127 6.465 2.469
35 2HD ARG 26 2HD ARG 26 -3.555 6.441 0.763
36 HE ARG 26 HE ARG 26 -4.014 8.723 0.837
37 1HH1 ARG 26 2HH2 ARG 26 -3.654 7.656 4.187
38 2HH1 ARG 26 1HH2 ARG 26 -3.532 9.298 4.760
39 1HH2 ARG 26 2HH1 ARG 26 -3.887 10.765 1.679
40 2HH2 ARG 26 1HH1 ARG 26 -3.681 10.996 3.389
41 H ARG 27 H ARG 27 -5.801 3.503 5.346
42 HA ARG 27 HA ARG 27 -5.912 5.777 7.030
43 1HB ARG 27 1HB ARG 27 -6.810 4.295 8.661
44 2HB ARG 27 2HB ARG 27 -7.265 3.575 7.112
45 1HG ARG 27 1HG ARG 27 -5.126 2.147 7.321
46 2HG ARG 27 2HG ARG 27 -5.003 2.776 8.973
47 1HD ARG 27 1HD ARG 27 -7.062 1.693 9.613
48 2HD ARG 27 2HD ARG 27 -7.283 1.083 7.962
49 HE ARG 27 HE ARG 27 -5.046 0.357 9.849
50 1HH1 ARG 27 1HH1 ARG 27 -6.907 -0.588 7.026
51 2HH1 ARG 27 2HH1 ARG 27 -5.792 -1.886 6.647
52 1HH2 ARG 27 2HH2 ARG 27 -3.572 -1.184 9.122
53 2HH2 ARG 27 1HH2 ARG 27 -4.088 -2.265 7.814
54 H GLN 28 H GLN 28 -3.267 3.645 6.532
55 HA GLN 28 HA GLN 28 -1.743 4.544 8.935
56 1HB GLN 28 1HB GLN 28 -2.902 2.308 9.014
57 2HB GLN 28 2HB GLN 28 -1.913 1.766 7.663
58 1HG GLN 28 1HG GLN 28 0.079 1.839 9.067
59 2HG GLN 28 2HG GLN 28 -0.793 2.703 10.338
60 1HE2 GLN 28 2HE2 GLN 28 0.293 0.715 11.504
61 2HE2 GLN 28 1HE2 GLN 28 -0.749 -0.695 11.628
62 H GLY 29 H GLY 29 -1.740 5.374 5.959
63 1HA GLY 29 2HA GLY 29 0.993 5.866 5.537
64 2HA GLY 29 1HA GLY 29 -0.259 5.891 4.288
65 H CYS 30 H CYS 30 -0.889 3.020 4.573
66 HA CYS 30 HA CYS 30 -0.333 0.977 3.984
67 1HB CYS 30 1HB CYS 30 1.547 2.459 2.130
68 2HB CYS 30 2HB CYS 30 1.389 0.701 2.109
69 H TRP 31 H TRP 31 1.456 2.271 6.280
70 HA TRP 31 HA TRP 31 3.918 0.848 6.175
71 1HB TRP 31 1HB TRP 31 3.223 2.767 7.704
72 2HB TRP 31 2HB TRP 31 2.484 1.547 8.738
73 HD1 TRP 31 HD1 TRP 31 4.079 0.487 10.470
74 HE1 TRP 31 HE1 TRP 31 6.613 0.424 10.881
75 HE3 TRP 31 HE3 TRP 31 5.656 2.854 6.208
76 HZ2 TRP 31 HZ2 TRP 31 9.021 1.257 9.516
77 HZ3 TRP 31 HZ3 TRP 31 8.082 3.171 5.769
78 HH2 TRP 31 HH2 TRP 31 9.769 2.388 7.417
79 H LYS 32 H LYS 32 0.764 -0.305 7.238
80 HA LYS 32 HA LYS 32 1.759 -2.950 8.065
81 1HB LYS 32 1HB LYS 32 -0.182 -1.978 9.174
82 2HB LYS 32 2HB LYS 32 -1.019 -1.767 7.636
83 1HG LYS 32 1HG LYS 32 -1.991 -3.620 8.822
84 2HG LYS 32 2HG LYS 32 -1.212 -4.206 7.372
85 1HD LYS 32 1HD LYS 32 0.845 -4.653 9.104
86 2HD LYS 32 2HD LYS 32 -0.472 -4.586 10.274
87 1HE LYS 32 1HE LYS 32 -0.376 -6.866 9.734
88 2HE LYS 32 2HE LYS 32 -1.689 -6.273 8.712
89 1HZ LYS 32 2HZ LYS 32 0.097 -6.028 6.924
90 2HZ LYS 32 3HZ LYS 32 1.105 -6.854 7.891
91 3HZ LYS 32 1HZ LYS 32 -0.248 -7.583 7.343
92 H CYS 33 H CYS 33 0.662 -1.516 5.102
93 HA CYS 33 HA CYS 33 -0.069 -3.986 3.729
94 1HB CYS 33 1HB CYS 33 -1.368 -2.312 2.983
95 2HB CYS 33 2HB CYS 33 -0.203 -1.049 3.364
96 H GLY 34 H GLY 34 2.629 -1.664 3.565
97 1HA GLY 34 2HA GLY 34 4.129 -3.267 1.614
98 2HA GLY 34 1HA GLY 34 4.741 -3.384 3.263
99 H LYS 35 H LYS 35 3.801 -0.240 3.314
100 HA LYS 35 HA LYS 35 5.428 1.193 1.541
101 1HB LYS 35 1HB LYS 35 3.660 2.149 2.946
102 2HB LYS 35 2HB LYS 35 4.615 1.861 4.386
103 1HG LYS 35 1HG LYS 35 4.678 4.205 3.826
104 2HG LYS 35 2HG LYS 35 6.273 3.525 3.690
105 1HD LYS 35 1HD LYS 35 5.910 5.061 1.857
106 2HD LYS 35 2HD LYS 35 6.049 3.436 1.212
107 1HE LYS 35 1HE LYS 35 4.287 4.577 0.041
108 2HE LYS 35 2HE LYS 35 3.566 3.295 1.022
109 1HZ LYS 35 1HZ LYS 35 3.663 6.157 1.824
110 2HZ LYS 35 2HZ LYS 35 2.355 5.426 1.176
111 3HZ LYS 35 3HZ LYS 35 2.901 4.950 2.642
112 H THR 36 H THR 36 6.589 -0.676 4.183
113 HA THR 36 HA THR 36 9.187 0.379 4.642
114 HB THR 36 HB THR 36 9.762 -2.018 5.147
115 HG1 THR 36 HG1 THR 36 8.088 -3.508 5.032
116 1HG2 THR 36 1HG2 THR 36 8.757 -0.569 6.888
117 2HG2 THR 36 2HG2 THR 36 7.130 -1.063 6.375
118 3HG2 THR 36 3HG2 THR 36 8.252 -2.254 7.063
119 H GLY 37 H GLY 37 7.929 -1.216 1.754
120 1HA GLY 37 2HA GLY 37 10.288 -2.081 0.499
121 2HA GLY 37 1HA GLY 37 10.242 -0.337 0.261
122 H HIS 38 H HIS 38 7.005 -1.364 0.172
123 HA HIS 38 HA HIS 38 6.905 -2.546 -2.426
124 1HB HIS 38 1HB HIS 38 4.618 -2.634 -2.176
125 2HB HIS 38 2HB HIS 38 5.214 -2.783 -0.546
126 HD1 HIS 38 HD1 HIS 38 5.176 0.869 -1.299
127 HD2 HIS 38 HD2 HIS 38 2.364 -2.144 -0.499
128 HE1 HIS 38 HE1 HIS 38 3.001 2.056 -0.690
129 H VAL 39 H VAL 39 5.350 -1.669 -4.109
130 HA VAL 39 HA VAL 39 5.666 1.246 -4.679
131 HB VAL 39 HB VAL 39 5.944 -1.012 -6.714
132 1HG1 VAL 39 2HG1 VAL 39 6.204 2.014 -7.037
133 2HG1 VAL 39 3HG1 VAL 39 6.652 0.815 -8.267
134 3HG1 VAL 39 1HG1 VAL 39 4.973 0.966 -7.789
135 1HG2 VAL 39 2HG2 VAL 39 8.050 0.897 -5.603
136 2HG2 VAL 39 3HG2 VAL 39 7.996 -0.864 -5.367
137 3HG2 VAL 39 1HG2 VAL 39 8.289 -0.208 -6.975
138 H MET 40 H MET 40 3.857 2.112 -5.910
139 HA MET 40 HA MET 40 1.348 1.090 -5.060
140 1HB MET 40 1HB MET 40 1.866 3.128 -7.252
141 2HB MET 40 2HB MET 40 0.353 2.877 -6.380
142 1HG MET 40 1HG MET 40 2.964 3.971 -5.307
143 2HG MET 40 2HG MET 40 1.422 4.795 -5.439
144 1HE MET 40 1HE MET 40 -0.677 4.315 -3.864
145 2HE MET 40 2HE MET 40 -0.628 2.561 -4.169
146 3HE MET 40 3HE MET 40 -0.659 3.171 -2.503
147 H ALA 41 H ALA 41 3.152 0.050 -7.789
148 HA ALA 41 HA ALA 41 0.960 -1.115 -9.298
149 1HB ALA 41 1HB ALA 41 3.167 -0.583 -10.281
150 2HB ALA 41 2HB ALA 41 3.941 -1.769 -9.201
151 3HB ALA 41 3HB ALA 41 2.789 -2.307 -10.442
152 H LYS 42 H LYS 42 2.424 -1.957 -6.302
153 HA LYS 42 HA LYS 42 1.369 -4.763 -6.372
154 1HB LYS 42 1HB LYS 42 3.818 -4.633 -6.328
155 2HB LYS 42 2HB LYS 42 3.772 -3.553 -4.943
156 1HG LYS 42 1HG LYS 42 4.411 -5.833 -4.308
157 2HG LYS 42 2HG LYS 42 2.956 -5.296 -3.487
158 1HD LYS 42 1HD LYS 42 2.724 -7.604 -4.117
159 2HD LYS 42 2HD LYS 42 1.566 -6.652 -5.039
160 1HE LYS 42 1HE LYS 42 3.256 -6.698 -6.973
161 2HE LYS 42 2HE LYS 42 4.193 -7.843 -6.001
162 1HZ LYS 42 1HZ LYS 42 2.030 -9.183 -5.907
163 2HZ LYS 42 2HZ LYS 42 1.467 -8.229 -7.094
164 3HZ LYS 42 3HZ LYS 42 2.786 -9.150 -7.372
165 H CYS 43 H CYS 43 1.432 -1.759 -4.529
166 HA CYS 43 HA CYS 43 0.218 -2.395 -2.160
167 1HB CYS 43 1HB CYS 43 1.003 -0.192 -2.961
168 2HB CYS 43 2HB CYS 43 -0.427 -0.052 -3.993
169 HA PRO 44 HA PRO 44 -4.250 -2.726 -4.293
170 1HB PRO 44 1HB PRO 44 -3.190 -4.203 -6.709
171 2HB PRO 44 2HB PRO 44 -4.728 -3.297 -6.527
172 1HG PRO 44 1HG PRO 44 -2.625 -2.111 -7.731
173 2HG PRO 44 2HG PRO 44 -3.565 -1.196 -6.505
174 1HD PRO 44 1HD PRO 44 -0.929 -2.620 -6.186
175 2HD PRO 44 2HD PRO 44 -1.433 -1.018 -5.566
176 H GLU 45 H GLU 45 -1.625 -5.122 -4.271
177 HA GLU 45 HA GLU 45 -3.222 -7.506 -3.950
178 1HB GLU 45 1HB GLU 45 -0.799 -7.299 -4.662
179 2HB GLU 45 2HB GLU 45 -0.395 -6.915 -2.988
180 1HG GLU 45 1HG GLU 45 -1.249 -9.171 -2.305
181 2HG GLU 45 2HG GLU 45 -1.585 -9.527 -4.006
182 H ARG 46 H ARG 46 -2.532 -4.901 -1.808
183 HA ARG 46 HA ARG 46 -2.721 -6.557 0.674
184 1HB ARG 46 1HB ARG 46 -1.561 -3.796 0.220
185 2HB ARG 46 2HB ARG 46 -1.319 -4.804 1.645
186 1HG ARG 46 1HG ARG 46 -0.242 -5.380 -1.155
187 2HG ARG 46 2HG ARG 46 0.673 -4.707 0.177
188 1HD ARG 46 1HD ARG 46 0.472 -6.741 1.483
189 2HD ARG 46 2HD ARG 46 -0.704 -7.415 0.351
190 HE ARG 46 HE ARG 46 0.973 -8.097 -1.064
191 1HH1 ARG 46 2HH2 ARG 46 2.536 -5.826 1.158
192 2HH1 ARG 46 1HH2 ARG 46 4.109 -6.275 0.544
193 1HH2 ARG 46 2HH1 ARG 46 2.823 -8.540 -1.745
194 2HH2 ARG 46 1HH1 ARG 46 4.300 -7.808 -1.105
195 H GLN 47 H GLN 47 -4.796 -4.608 -0.984
196 HA GLN 47 HA GLN 47 -5.612 -2.687 0.928
197 1HB GLN 47 1HB GLN 47 -7.226 -3.912 -1.339
198 2HB GLN 47 2HB GLN 47 -7.628 -2.424 -0.477
199 1HG GLN 47 1HG GLN 47 -5.169 -2.898 -2.211
200 2HG GLN 47 2HG GLN 47 -6.559 -1.900 -2.613
201 1HE2 GLN 47 1HE2 GLN 47 -3.389 -1.749 -1.442
202 2HE2 GLN 47 2HE2 GLN 47 -3.512 -0.175 -0.700
203 H ALA 48 H ALA 48 -6.353 -6.066 0.937
204 HA ALA 48 HA ALA 48 -8.680 -5.983 2.638
205 1HB ALA 48 1HB ALA 48 -8.053 -7.929 1.258
206 2HB ALA 48 3HB ALA 48 -8.155 -8.366 2.974
207 3HB ALA 48 2HB ALA 48 -6.565 -8.140 2.214
208 H GLY 49 H GLY 49 -5.273 -5.475 3.302
209 1HA GLY 49 2HA GLY 49 -4.025 -5.713 5.301
210 2HA GLY 49 1HA GLY 49 -5.495 -6.033 6.221
No H/Q in entry = 210
Start of MODEL 6
1 H1 ARG 23 1H ARG 23 -7.062 -6.371 4.028
2 H2 ARG 23 3H ARG 23 -7.267 -7.250 2.653
3 H3 ARG 23 2H ARG 23 -6.199 -6.010 2.668
4 HA ARG 23 HA ARG 23 -8.103 -5.332 1.488
5 1HB ARG 23 1HB ARG 23 -9.480 -7.016 3.183
6 2HB ARG 23 2HB ARG 23 -9.997 -5.464 3.789
7 1HG ARG 23 1HG ARG 23 -11.130 -4.897 1.843
8 2HG ARG 23 2HG ARG 23 -10.006 -5.758 0.789
9 1HD ARG 23 1HD ARG 23 -12.084 -7.112 2.543
10 2HD ARG 23 2HD ARG 23 -12.222 -6.818 0.796
11 HE ARG 23 HE ARG 23 -9.754 -8.158 1.298
12 1HH1 ARG 23 1HH2 ARG 23 -13.145 -9.055 1.266
13 2HH1 ARG 23 2HH2 ARG 23 -12.745 -10.744 1.078
14 1HH2 ARG 23 2HH1 ARG 23 -9.333 -10.131 1.170
15 2HH2 ARG 23 1HH1 ARG 23 -10.570 -11.372 0.994
16 H ALA 24 H ALA 24 -8.144 -3.230 1.293
17 HA ALA 24 HA ALA 24 -7.418 -1.111 1.605
18 1HB ALA 24 1HB ALA 24 -9.577 -1.331 3.718
19 2HB ALA 24 3HB ALA 24 -9.839 -1.250 1.960
20 3HB ALA 24 2HB ALA 24 -9.118 0.125 2.808
21 HA PRO 25 HA PRO 25 -4.938 -1.211 5.691
22 1HB PRO 25 1HB PRO 25 -2.416 -1.926 4.945
23 2HB PRO 25 2HB PRO 25 -3.677 -3.113 5.391
24 1HG PRO 25 1HG PRO 25 -2.940 -2.182 2.593
25 2HG PRO 25 2HG PRO 25 -3.066 -3.866 3.202
26 1HD PRO 25 1HD PRO 25 -5.118 -2.686 1.897
27 2HD PRO 25 2HD PRO 25 -5.397 -3.741 3.311
28 H ARG 26 H ARG 26 -4.764 0.304 2.590
29 HA ARG 26 HA ARG 26 -2.844 2.319 2.887
30 1HB ARG 26 1HB ARG 26 -4.219 1.999 0.892
31 2HB ARG 26 2HB ARG 26 -5.674 2.461 1.770
32 1HG ARG 26 1HG ARG 26 -4.949 4.264 0.321
33 2HG ARG 26 2HG ARG 26 -4.831 4.770 1.996
34 1HD ARG 26 1HD ARG 26 -2.879 5.569 0.807
35 2HD ARG 26 2HD ARG 26 -2.365 4.332 1.942
36 HE ARG 26 HE ARG 26 -1.773 2.918 0.203
37 1HH1 ARG 26 2HH2 ARG 26 -3.381 5.703 -1.210
38 2HH1 ARG 26 1HH2 ARG 26 -2.973 5.226 -2.835
39 1HH2 ARG 26 1HH1 ARG 26 -1.380 2.323 -1.908
40 2HH2 ARG 26 2HH1 ARG 26 -1.802 3.405 -3.201
41 H ARG 27 H ARG 27 -5.879 2.050 4.675
42 HA ARG 27 HA ARG 27 -5.970 4.634 5.857
43 1HB ARG 27 1HB ARG 27 -7.452 3.703 7.468
44 2HB ARG 27 2HB ARG 27 -7.792 2.971 5.918
45 1HG ARG 27 1HG ARG 27 -7.557 0.918 6.766
46 2HG ARG 27 2HG ARG 27 -5.899 1.235 7.256
47 1HD ARG 27 1HD ARG 27 -8.405 1.876 8.869
48 2HD ARG 27 2HD ARG 27 -7.347 0.499 9.140
49 HE ARG 27 HE ARG 27 -6.798 3.349 9.766
50 1HH1 ARG 27 2HH1 ARG 27 -5.479 0.081 9.877
51 2HH1 ARG 27 1HH1 ARG 27 -4.137 0.615 10.877
52 1HH2 ARG 27 1HH2 ARG 27 -5.061 3.867 11.056
53 2HH2 ARG 27 2HH2 ARG 27 -3.940 2.598 11.518
54 H GLN 28 H GLN 28 -3.638 2.181 6.470
55 HA GLN 28 HA GLN 28 -2.728 3.367 9.017
56 1HB GLN 28 1HB GLN 28 -2.938 0.870 8.529
57 2HB GLN 28 2HB GLN 28 -1.616 1.035 7.388
58 1HG GLN 28 1HG GLN 28 -0.969 0.096 9.609
59 2HG GLN 28 2HG GLN 28 -0.044 1.508 9.151
60 1HE2 GLN 28 2HE2 GLN 28 -0.045 3.294 10.566
61 2HE2 GLN 28 1HE2 GLN 28 -1.022 3.338 12.030
62 H GLY 29 H GLY 29 -2.397 4.465 5.961
63 1HA GLY 29 2HA GLY 29 0.257 5.658 6.232
64 2HA GLY 29 1HA GLY 29 -0.822 5.716 4.829
65 H CYS 30 H CYS 30 -1.103 2.789 4.764
66 HA CYS 30 HA CYS 30 -0.291 0.882 4.034
67 1HB CYS 30 1HB CYS 30 1.387 2.841 2.484
68 2HB CYS 30 2HB CYS 30 1.713 1.118 2.333
69 H TRP 31 H TRP 31 1.299 2.215 6.523
70 HA TRP 31 HA TRP 31 3.825 0.962 6.498
71 1HB TRP 31 1HB TRP 31 2.941 2.742 8.077
72 2HB TRP 31 2HB TRP 31 2.217 1.433 9.008
73 HD1 TRP 31 HD1 TRP 31 3.723 0.478 10.842
74 HE1 TRP 31 HE1 TRP 31 6.228 0.478 11.407
75 HE3 TRP 31 HE3 TRP 31 5.494 2.913 6.696
76 HZ2 TRP 31 HZ2 TRP 31 8.693 1.353 10.182
77 HZ3 TRP 31 HZ3 TRP 31 7.935 3.281 6.400
78 HH2 TRP 31 HH2 TRP 31 9.539 2.512 8.135
79 H LYS 32 H LYS 32 0.743 -0.548 7.180
80 HA LYS 32 HA LYS 32 2.081 -3.147 7.757
81 1HB LYS 32 1HB LYS 32 0.224 -2.351 9.224
82 2HB LYS 32 2HB LYS 32 -0.851 -2.354 7.834
83 1HG LYS 32 1HG LYS 32 -1.369 -4.251 9.080
84 2HG LYS 32 2HG LYS 32 -0.558 -4.862 7.666
85 1HD LYS 32 1HD LYS 32 0.703 -4.496 10.428
86 2HD LYS 32 2HD LYS 32 -0.018 -5.988 9.859
87 1HE LYS 32 1HE LYS 32 2.512 -4.691 8.774
88 2HE LYS 32 2HE LYS 32 2.393 -6.120 9.786
89 1HZ LYS 32 3HZ LYS 32 1.155 -7.212 7.954
90 2HZ LYS 32 1HZ LYS 32 1.411 -5.900 6.993
91 3HZ LYS 32 2HZ LYS 32 2.670 -6.795 7.515
92 H CYS 33 H CYS 33 0.528 -1.496 5.146
93 HA CYS 33 HA CYS 33 -0.207 -3.698 3.447
94 1HB CYS 33 1HB CYS 33 -0.971 -1.310 3.261
95 2HB CYS 33 2HB CYS 33 0.680 -0.846 2.846
96 H GLY 34 H GLY 34 2.686 -1.641 3.679
97 1HA GLY 34 2HA GLY 34 4.228 -3.257 1.737
98 2HA GLY 34 1HA GLY 34 4.782 -3.320 3.409
99 H LYS 35 H LYS 35 3.872 -0.276 3.541
100 HA LYS 35 HA LYS 35 5.205 1.381 1.785
101 1HB LYS 35 1HB LYS 35 3.654 1.968 3.652
102 2HB LYS 35 2HB LYS 35 4.966 1.700 4.792
103 1HG LYS 35 1HG LYS 35 4.656 4.011 4.528
104 2HG LYS 35 2HG LYS 35 6.177 3.651 3.722
105 1HD LYS 35 1HD LYS 35 5.160 3.814 1.532
106 2HD LYS 35 2HD LYS 35 3.526 3.809 2.204
107 1HE LYS 35 1HE LYS 35 5.580 6.030 2.586
108 2HE LYS 35 2HE LYS 35 4.234 6.047 1.442
109 1HZ LYS 35 2HZ LYS 35 2.738 5.766 3.437
110 2HZ LYS 35 3HZ LYS 35 4.020 6.034 4.398
111 3HZ LYS 35 1HZ LYS 35 3.523 7.210 3.381
112 H THR 36 H THR 36 6.782 -0.559 4.196
113 HA THR 36 HA THR 36 9.341 0.672 4.390
114 HB THR 36 HB THR 36 10.088 -1.639 5.016
115 HG1 THR 36 HG1 THR 36 8.506 -3.233 5.114
116 1HG2 THR 36 3HG2 THR 36 9.078 -0.115 6.712
117 2HG2 THR 36 1HG2 THR 36 7.475 -0.791 6.356
118 3HG2 THR 36 2HG2 THR 36 8.745 -1.821 7.047
119 H GLY 37 H GLY 37 7.946 -1.067 1.673
120 1HA GLY 37 2HA GLY 37 10.232 -2.020 0.353
121 2HA GLY 37 1HA GLY 37 10.194 -0.292 0.021
122 H HIS 38 H HIS 38 6.950 -1.427 0.152
123 HA HIS 38 HA HIS 38 6.765 -2.579 -2.465
124 1HB HIS 38 1HB HIS 38 4.475 -2.708 -2.118
125 2HB HIS 38 2HB HIS 38 5.183 -2.943 -0.539
126 HD1 HIS 38 HD1 HIS 38 5.117 0.725 -1.003
127 HD2 HIS 38 HD2 HIS 38 2.330 -2.331 -0.242
128 HE1 HIS 38 HE1 HIS 38 3.037 1.866 -0.061
129 H VAL 39 H VAL 39 5.133 -1.700 -4.087
130 HA VAL 39 HA VAL 39 5.532 1.200 -4.696
131 HB VAL 39 HB VAL 39 5.885 -1.096 -6.676
132 1HG1 VAL 39 3HG1 VAL 39 6.323 1.908 -6.994
133 2HG1 VAL 39 1HG1 VAL 39 6.817 0.678 -8.174
134 3HG1 VAL 39 2HG1 VAL 39 5.113 0.915 -7.846
135 1HG2 VAL 39 1HG2 VAL 39 7.995 0.707 -5.411
136 2HG2 VAL 39 2HG2 VAL 39 7.839 -1.051 -5.191
137 3HG2 VAL 39 3HG2 VAL 39 8.280 -0.408 -6.767
138 H MET 40 H MET 40 3.881 2.052 -6.147
139 HA MET 40 HA MET 40 1.225 1.193 -5.637
140 1HB MET 40 1HB MET 40 2.326 2.995 -7.828
141 2HB MET 40 2HB MET 40 0.612 2.824 -7.437
142 1HG MET 40 1HG MET 40 2.750 3.843 -5.530
143 2HG MET 40 2HG MET 40 1.598 4.831 -6.421
144 1HE MET 40 2HE MET 40 2.129 4.964 -3.255
145 2HE MET 40 3HE MET 40 1.005 6.038 -4.121
146 3HE MET 40 1HE MET 40 0.467 5.173 -2.665
147 H ALA 41 H ALA 41 3.410 -0.144 -7.948
148 HA ALA 41 HA ALA 41 1.450 -1.372 -9.697
149 1HB ALA 41 1HB ALA 41 3.812 -0.981 -10.326
150 2HB ALA 41 2HB ALA 41 4.343 -2.104 -9.049
151 3HB ALA 41 3HB ALA 41 3.394 -2.701 -10.426
152 H LYS 42 H LYS 42 2.288 -1.995 -6.430
153 HA LYS 42 HA LYS 42 1.143 -4.770 -6.496
154 1HB LYS 42 1HB LYS 42 3.734 -4.344 -6.184
155 2HB LYS 42 2HB LYS 42 3.296 -3.916 -4.540
156 1HG LYS 42 1HG LYS 42 2.712 -6.575 -5.936
157 2HG LYS 42 2HG LYS 42 4.078 -6.251 -4.872
158 1HD LYS 42 1HD LYS 42 2.431 -5.788 -2.998
159 2HD LYS 42 2HD LYS 42 1.148 -6.384 -4.082
160 1HE LYS 42 1HE LYS 42 2.332 -8.527 -4.349
161 2HE LYS 42 2HE LYS 42 3.613 -7.964 -3.268
162 1HZ LYS 42 3HZ LYS 42 1.944 -7.800 -1.495
163 2HZ LYS 42 1HZ LYS 42 0.754 -8.337 -2.497
164 3HZ LYS 42 2HZ LYS 42 1.988 -9.321 -2.085
165 H CYS 43 H CYS 43 1.532 -1.789 -4.548
166 HA CYS 43 HA CYS 43 0.147 -2.378 -2.275
167 1HB CYS 43 1HB CYS 43 1.316 -0.302 -2.761
168 2HB CYS 43 2HB CYS 43 0.062 0.189 -3.904
169 HA PRO 44 HA PRO 44 -4.272 -1.662 -4.410
170 1HB PRO 44 1HB PRO 44 -3.489 -2.960 -7.020
171 2HB PRO 44 2HB PRO 44 -4.805 -1.788 -6.689
172 1HG PRO 44 1HG PRO 44 -2.490 -0.921 -7.764
173 2HG PRO 44 2HG PRO 44 -3.231 0.003 -6.413
174 1HD PRO 44 1HD PRO 44 -0.966 -1.993 -6.313
175 2HD PRO 44 2HD PRO 44 -1.100 -0.395 -5.520
176 H GLU 45 H GLU 45 -2.144 -4.495 -4.970
177 HA GLU 45 HA GLU 45 -4.204 -6.513 -4.937
178 1HB GLU 45 1HB GLU 45 -1.937 -6.817 -5.836
179 2HB GLU 45 2HB GLU 45 -1.242 -6.658 -4.232
180 1HG GLU 45 1HG GLU 45 -3.252 -8.830 -4.916
181 2HG GLU 45 2HG GLU 45 -1.532 -9.005 -5.251
182 H ARG 46 H ARG 46 -2.304 -4.936 -2.369
183 HA ARG 46 HA ARG 46 -3.516 -6.526 -0.220
184 1HB ARG 46 1HB ARG 46 -1.906 -3.960 -0.164
185 2HB ARG 46 2HB ARG 46 -2.323 -4.900 1.261
186 1HG ARG 46 1HG ARG 46 -0.555 -5.949 -0.999
187 2HG ARG 46 2HG ARG 46 0.033 -5.130 0.435
188 1HD ARG 46 1HD ARG 46 0.326 -7.436 0.834
189 2HD ARG 46 2HD ARG 46 -0.983 -6.903 1.873
190 HE ARG 46 HE ARG 46 -1.324 -8.417 -0.723
191 1HH1 ARG 46 2HH1 ARG 46 -2.662 -7.733 2.498
192 2HH1 ARG 46 1HH1 ARG 46 -4.132 -8.605 2.049
193 1HH2 ARG 46 1HH2 ARG 46 -3.156 -9.621 -0.977
194 2HH2 ARG 46 2HH2 ARG 46 -4.368 -9.572 0.315
195 H GLN 47 H GLN 47 -4.332 -3.524 -1.818
196 HA GLN 47 HA GLN 47 -6.337 -2.770 0.138
197 1HB GLN 47 1HB GLN 47 -6.398 -2.035 -2.800
198 2HB GLN 47 2HB GLN 47 -7.218 -1.253 -1.456
199 1HG GLN 47 1HG GLN 47 -4.350 -1.071 -2.293
200 2HG GLN 47 2HG GLN 47 -5.460 0.207 -1.862
201 1HE2 GLN 47 2HE2 GLN 47 -2.737 -1.418 -0.851
202 2HE2 GLN 47 1HE2 GLN 47 -2.849 -1.099 0.867
203 H ALA 48 H ALA 48 -6.471 -4.708 -2.871
204 HA ALA 48 HA ALA 48 -9.292 -5.281 -2.637
205 1HB ALA 48 3HB ALA 48 -8.832 -6.744 -4.569
206 2HB ALA 48 2HB ALA 48 -7.084 -6.567 -4.305
207 3HB ALA 48 1HB ALA 48 -8.063 -5.160 -4.774
208 H GLY 49 H GLY 49 -6.383 -7.085 -1.616
209 1HA GLY 49 2HA GLY 49 -6.222 -9.383 -1.102
210 2HA GLY 49 1HA GLY 49 -7.968 -9.510 -0.934
No H/Q in entry = 210
Start of MODEL 7
1 H1 ARG 23 3H ARG 23 -10.929 0.891 -0.576
2 H2 ARG 23 2H ARG 23 -10.680 1.355 -2.128
3 H3 ARG 23 1H ARG 23 -10.274 -0.163 -1.642
4 HA ARG 23 HA ARG 23 -8.584 0.668 -0.183
5 1HB ARG 23 1HB ARG 23 -8.225 0.259 -2.788
6 2HB ARG 23 2HB ARG 23 -8.045 1.997 -2.851
7 1HG ARG 23 1HG ARG 23 -5.855 1.154 -2.659
8 2HG ARG 23 2HG ARG 23 -6.225 1.730 -1.032
9 1HD ARG 23 1HD ARG 23 -6.765 -0.624 -0.358
10 2HD ARG 23 2HD ARG 23 -6.388 -1.160 -1.995
11 HE ARG 23 HE ARG 23 -4.116 -1.015 -1.544
12 1HH1 ARG 23 1HH1 ARG 23 -5.767 0.485 1.220
13 2HH1 ARG 23 2HH1 ARG 23 -4.236 0.509 2.083
14 1HH2 ARG 23 2HH2 ARG 23 -2.366 -0.939 -0.272
15 2HH2 ARG 23 1HH2 ARG 23 -2.489 -0.242 1.334
16 H ALA 24 H ALA 24 -8.105 2.197 1.202
17 HA ALA 24 HA ALA 24 -8.289 5.087 0.600
18 1HB ALA 24 3HB ALA 24 -10.533 4.545 1.440
19 2HB ALA 24 1HB ALA 24 -9.833 3.747 2.866
20 3HB ALA 24 2HB ALA 24 -9.640 5.498 2.637
21 HA PRO 25 HA PRO 25 -4.718 3.156 2.889
22 1HB PRO 25 1HB PRO 25 -2.599 4.464 1.702
23 2HB PRO 25 2HB PRO 25 -3.427 3.037 1.015
24 1HG PRO 25 1HG PRO 25 -3.913 5.958 0.375
25 2HG PRO 25 2HG PRO 25 -3.698 4.594 -0.767
26 1HD PRO 25 1HD PRO 25 -6.161 5.511 -0.096
27 2HD PRO 25 2HD PRO 25 -5.864 3.764 -0.320
28 H ARG 26 H ARG 26 -5.614 6.517 2.753
29 HA ARG 26 HA ARG 26 -3.924 7.688 4.687
30 1HB ARG 26 1HB ARG 26 -5.514 8.964 3.362
31 2HB ARG 26 2HB ARG 26 -6.879 8.099 4.065
32 1HG ARG 26 1HG ARG 26 -6.698 10.352 4.980
33 2HG ARG 26 2HG ARG 26 -6.502 9.143 6.239
34 1HD ARG 26 1HD ARG 26 -3.956 9.480 6.004
35 2HD ARG 26 2HD ARG 26 -4.322 10.809 4.911
36 HE ARG 26 HE ARG 26 -5.015 12.118 6.710
37 1HH1 ARG 26 1HH1 ARG 26 -4.603 8.831 7.938
38 2HH1 ARG 26 2HH1 ARG 26 -4.682 9.374 9.595
39 1HH2 ARG 26 2HH2 ARG 26 -5.142 12.690 8.845
40 2HH2 ARG 26 1HH2 ARG 26 -4.997 11.481 10.086
41 H ARG 27 H ARG 27 -6.524 5.351 5.259
42 HA ARG 27 HA ARG 27 -6.325 5.714 8.199
43 1HB ARG 27 1HB ARG 27 -8.245 4.417 8.396
44 2HB ARG 27 2HB ARG 27 -8.495 5.363 6.935
45 1HG ARG 27 1HG ARG 27 -7.616 3.238 5.670
46 2HG ARG 27 2HG ARG 27 -7.861 2.397 7.201
47 1HD ARG 27 1HD ARG 27 -10.242 3.141 7.214
48 2HD ARG 27 2HD ARG 27 -9.981 3.968 5.678
49 HE ARG 27 HE ARG 27 -9.641 1.846 4.560
50 1HH1 ARG 27 2HH2 ARG 27 -10.848 1.339 7.833
51 2HH1 ARG 27 1HH2 ARG 27 -11.382 -0.272 7.435
52 1HH2 ARG 27 2HH1 ARG 27 -10.250 -0.063 4.173
53 2HH2 ARG 27 1HH1 ARG 27 -11.050 -1.086 5.369
54 H GLN 28 H GLN 28 -4.374 4.207 6.123
55 HA GLN 28 HA GLN 28 -3.671 1.910 7.920
56 1HB GLN 28 1HB GLN 28 -4.857 1.400 5.747
57 2HB GLN 28 2HB GLN 28 -3.512 2.151 4.891
58 1HG GLN 28 1HG GLN 28 -1.992 0.370 5.891
59 2HG GLN 28 2HG GLN 28 -3.434 -0.381 6.585
60 1HE2 GLN 28 2HE2 GLN 28 -4.025 -2.166 5.272
61 2HE2 GLN 28 1HE2 GLN 28 -3.989 -2.112 3.511
62 H GLY 29 H GLY 29 -2.484 4.645 6.020
63 1HA GLY 29 2HA GLY 29 0.078 4.893 7.225
64 2HA GLY 29 1HA GLY 29 -0.443 5.598 5.688
65 H CYS 30 H CYS 30 -1.000 2.917 4.533
66 HA CYS 30 HA CYS 30 -0.256 0.885 4.040
67 1HB CYS 30 1HB CYS 30 1.734 2.791 2.819
68 2HB CYS 30 2HB CYS 30 1.841 1.051 2.499
69 H TRP 31 H TRP 31 0.617 1.564 6.781
70 HA TRP 31 HA TRP 31 3.290 0.578 7.159
71 1HB TRP 31 1HB TRP 31 1.373 2.009 8.665
72 2HB TRP 31 2HB TRP 31 1.661 0.548 9.584
73 HD1 TRP 31 HD1 TRP 31 4.448 0.023 9.921
74 HE1 TRP 31 HE1 TRP 31 6.318 1.673 10.538
75 HE3 TRP 31 HE3 TRP 31 2.111 4.405 8.649
76 HZ2 TRP 31 HZ2 TRP 31 6.778 4.519 10.400
77 HZ3 TRP 31 HZ3 TRP 31 3.304 6.577 8.887
78 HH2 TRP 31 HH2 TRP 31 5.634 6.643 9.749
79 H LYS 32 H LYS 32 0.668 -1.196 6.400
80 HA LYS 32 HA LYS 32 2.081 -3.685 7.200
81 1HB LYS 32 1HB LYS 32 0.051 -3.156 8.726
82 2HB LYS 32 2HB LYS 32 -0.954 -3.437 7.316
83 1HG LYS 32 1HG LYS 32 -0.892 -5.412 8.709
84 2HG LYS 32 2HG LYS 32 -0.131 -5.763 7.167
85 1HD LYS 32 1HD LYS 32 1.044 -6.807 9.027
86 2HD LYS 32 2HD LYS 32 2.109 -5.686 8.204
87 1HE LYS 32 1HE LYS 32 0.553 -4.614 10.553
88 2HE LYS 32 2HE LYS 32 1.748 -5.855 10.917
89 1HZ LYS 32 2HZ LYS 32 3.453 -4.490 9.873
90 2HZ LYS 32 3HZ LYS 32 2.390 -3.298 9.522
91 3HZ LYS 32 1HZ LYS 32 2.731 -3.663 11.071
92 H CYS 33 H CYS 33 0.100 -1.971 4.909
93 HA CYS 33 HA CYS 33 -0.058 -3.812 2.782
94 1HB CYS 33 1HB CYS 33 -1.214 -1.688 2.846
95 2HB CYS 33 2HB CYS 33 0.327 -0.807 2.926
96 H GLY 34 H GLY 34 2.625 -1.603 3.713
97 1HA GLY 34 2HA GLY 34 4.502 -3.174 1.963
98 2HA GLY 34 1HA GLY 34 4.775 -2.993 3.689
99 H LYS 35 H LYS 35 3.963 -0.040 3.627
100 HA LYS 35 HA LYS 35 5.254 1.463 1.701
101 1HB LYS 35 1HB LYS 35 3.735 2.232 3.586
102 2HB LYS 35 2HB LYS 35 5.157 2.266 4.627
103 1HG LYS 35 1HG LYS 35 6.202 3.970 3.164
104 2HG LYS 35 2HG LYS 35 4.914 3.761 1.978
105 1HD LYS 35 1HD LYS 35 4.443 5.774 3.013
106 2HD LYS 35 2HD LYS 35 3.283 4.663 3.713
107 1HE LYS 35 1HE LYS 35 5.914 5.535 5.028
108 2HE LYS 35 2HE LYS 35 4.361 6.333 5.281
109 1HZ LYS 35 3HZ LYS 35 3.498 4.180 6.111
110 2HZ LYS 35 1HZ LYS 35 5.019 3.559 6.072
111 3HZ LYS 35 2HZ LYS 35 4.676 4.815 7.059
112 H THR 36 H THR 36 6.903 -0.159 4.294
113 HA THR 36 HA THR 36 9.432 1.100 4.250
114 HB THR 36 HB THR 36 8.614 -0.555 5.899
115 HG1 THR 36 HG1 THR 36 11.118 -1.085 4.690
116 1HG2 THR 36 3HG2 THR 36 7.745 -2.313 4.383
117 2HG2 THR 36 1HG2 THR 36 9.404 -2.681 3.862
118 3HG2 THR 36 2HG2 THR 36 8.917 -2.938 5.550
119 H GLY 37 H GLY 37 8.046 -0.857 1.691
120 1HA GLY 37 2HA GLY 37 10.356 -1.862 0.430
121 2HA GLY 37 1HA GLY 37 10.257 -0.166 -0.036
122 H HIS 38 H HIS 38 7.037 -1.203 0.181
123 HA HIS 38 HA HIS 38 6.816 -2.713 -2.236
124 1HB HIS 38 1HB HIS 38 4.505 -2.646 -1.896
125 2HB HIS 38 2HB HIS 38 5.225 -2.734 -0.309
126 HD1 HIS 38 HD1 HIS 38 5.410 0.859 -1.171
127 HD2 HIS 38 HD2 HIS 38 2.439 -1.913 -0.119
128 HE1 HIS 38 HE1 HIS 38 3.414 2.228 -0.365
129 H VAL 39 H VAL 39 5.075 -1.974 -3.902
130 HA VAL 39 HA VAL 39 5.803 0.673 -5.095
131 HB VAL 39 HB VAL 39 5.698 -2.008 -6.551
132 1HG1 VAL 39 1HG1 VAL 39 6.544 0.759 -7.521
133 2HG1 VAL 39 2HG1 VAL 39 6.737 -0.751 -8.432
134 3HG1 VAL 39 3HG1 VAL 39 5.124 -0.166 -8.071
135 1HG2 VAL 39 2HG2 VAL 39 8.114 -0.315 -5.772
136 2HG2 VAL 39 3HG2 VAL 39 7.735 -1.951 -5.185
137 3HG2 VAL 39 1HG2 VAL 39 8.155 -1.708 -6.875
138 H MET 40 H MET 40 4.177 1.564 -6.482
139 HA MET 40 HA MET 40 1.491 1.125 -5.705
140 1HB MET 40 1HB MET 40 0.876 2.739 -7.347
141 2HB MET 40 2HB MET 40 2.332 3.272 -6.531
142 1HG MET 40 1HG MET 40 2.241 1.964 -9.283
143 2HG MET 40 2HG MET 40 2.264 3.692 -9.003
144 1HE MET 40 1HE MET 40 4.310 5.116 -8.310
145 2HE MET 40 2HE MET 40 4.437 4.238 -6.768
146 3HE MET 40 3HE MET 40 5.871 4.447 -7.791
147 H ALA 41 H ALA 41 3.284 -0.666 -8.036
148 HA ALA 41 HA ALA 41 1.065 -1.765 -9.532
149 1HB ALA 41 3HB ALA 41 3.408 -1.739 -10.332
150 2HB ALA 41 1HB ALA 41 3.882 -2.819 -8.998
151 3HB ALA 41 2HB ALA 41 2.770 -3.391 -10.261
152 H LYS 42 H LYS 42 2.031 -2.233 -6.278
153 HA LYS 42 HA LYS 42 0.577 -4.850 -6.049
154 1HB LYS 42 1HB LYS 42 3.106 -4.969 -5.993
155 2HB LYS 42 2HB LYS 42 3.082 -3.950 -4.562
156 1HG LYS 42 1HG LYS 42 3.401 -6.263 -3.960
157 2HG LYS 42 2HG LYS 42 1.853 -5.715 -3.315
158 1HD LYS 42 1HD LYS 42 0.619 -6.939 -4.984
159 2HD LYS 42 2HD LYS 42 2.079 -7.219 -5.961
160 1HE LYS 42 1HE LYS 42 3.042 -8.617 -4.184
161 2HE LYS 42 2HE LYS 42 1.641 -8.309 -3.151
162 1HZ LYS 42 2HZ LYS 42 1.475 -9.681 -5.780
163 2HZ LYS 42 3HZ LYS 42 1.497 -10.448 -4.337
164 3HZ LYS 42 1HZ LYS 42 0.243 -9.477 -4.707
165 H CYS 43 H CYS 43 1.349 -1.778 -4.443
166 HA CYS 43 HA CYS 43 0.090 -2.029 -2.024
167 1HB CYS 43 1HB CYS 43 1.424 -0.144 -2.719
168 2HB CYS 43 2HB CYS 43 0.236 0.334 -3.930
169 HA PRO 44 HA PRO 44 -4.334 -1.016 -3.927
170 1HB PRO 44 1HB PRO 44 -3.962 -2.561 -6.494
171 2HB PRO 44 2HB PRO 44 -5.048 -1.176 -6.158
172 1HG PRO 44 1HG PRO 44 -2.723 -0.772 -7.469
173 2HG PRO 44 2HG PRO 44 -3.204 0.355 -6.156
174 1HD PRO 44 1HD PRO 44 -1.274 -1.968 -6.031
175 2HD PRO 44 2HD PRO 44 -1.090 -0.308 -5.391
176 H GLU 45 H GLU 45 -2.532 -4.037 -4.014
177 HA GLU 45 HA GLU 45 -4.752 -5.878 -3.987
178 1HB GLU 45 1HB GLU 45 -2.366 -6.379 -4.551
179 2HB GLU 45 2HB GLU 45 -1.942 -6.122 -2.856
180 1HG GLU 45 1HG GLU 45 -3.395 -8.044 -2.216
181 2HG GLU 45 2HG GLU 45 -3.769 -8.303 -3.930
182 H ARG 46 H ARG 46 -3.208 -3.954 -1.454
183 HA ARG 46 HA ARG 46 -4.320 -5.625 0.714
184 1HB ARG 46 1HB ARG 46 -2.352 -3.312 0.773
185 2HB ARG 46 2HB ARG 46 -2.927 -4.194 2.190
186 1HG ARG 46 1HG ARG 46 -1.081 -5.472 1.832
187 2HG ARG 46 2HG ARG 46 -2.183 -6.334 0.786
188 1HD ARG 46 1HD ARG 46 -1.240 -4.711 -1.091
189 2HD ARG 46 2HD ARG 46 0.074 -4.451 0.047
190 HE ARG 46 HE ARG 46 -0.623 -6.963 -1.397
191 1HH1 ARG 46 1HH1 ARG 46 1.650 -5.593 0.956
192 2HH1 ARG 46 2HH1 ARG 46 2.539 -7.089 0.992
193 1HH2 ARG 46 1HH2 ARG 46 0.485 -8.672 -1.285
194 2HH2 ARG 46 2HH2 ARG 46 1.922 -8.824 -0.264
195 H GLN 47 H GLN 47 -6.363 -4.898 -0.376
196 HA GLN 47 HA GLN 47 -7.743 -2.509 0.144
197 1HB GLN 47 1HB GLN 47 -8.724 -5.368 -0.139
198 2HB GLN 47 2HB GLN 47 -9.793 -3.973 -0.163
199 1HG GLN 47 1HG GLN 47 -7.527 -4.425 -2.154
200 2HG GLN 47 2HG GLN 47 -9.203 -4.863 -2.426
201 1HE2 GLN 47 1HE2 GLN 47 -7.460 -2.936 -3.909
202 2HE2 GLN 47 2HE2 GLN 47 -8.476 -1.500 -3.974
203 H ALA 48 H ALA 48 -6.711 -4.581 2.627
204 HA ALA 48 HA ALA 48 -8.716 -4.195 4.617
205 1HB ALA 48 1HB ALA 48 -6.846 -4.610 6.172
206 2HB ALA 48 3HB ALA 48 -5.679 -4.386 4.850
207 3HB ALA 48 2HB ALA 48 -6.818 -5.755 4.820
208 H GLY 49 H GLY 49 -6.680 -1.869 3.070
209 1HA GLY 49 2HA GLY 49 -6.163 0.408 3.946
210 2HA GLY 49 1HA GLY 49 -7.629 0.299 4.927
No H/Q in entry = 210
Start of MODEL 8
1 H1 ARG 23 1H ARG 23 -9.351 1.926 0.823
2 H2 ARG 23 3H ARG 23 -9.866 1.549 -0.671
3 H3 ARG 23 2H ARG 23 -8.260 1.760 -0.395
4 HA ARG 23 HA ARG 23 -8.832 3.784 -1.386
5 1HB ARG 23 1HB ARG 23 -11.394 3.479 0.230
6 2HB ARG 23 2HB ARG 23 -10.962 4.999 -0.561
7 1HG ARG 23 1HG ARG 23 -11.137 4.125 -2.728
8 2HG ARG 23 2HG ARG 23 -10.929 2.459 -2.201
9 1HD ARG 23 1HD ARG 23 -13.182 2.567 -1.070
10 2HD ARG 23 2HD ARG 23 -13.391 4.186 -1.744
11 HE ARG 23 HE ARG 23 -13.874 3.257 -3.805
12 1HH1 ARG 23 2HH2 ARG 23 -12.380 0.695 -1.891
13 2HH1 ARG 23 1HH2 ARG 23 -12.437 -0.422 -3.218
14 1HH2 ARG 23 1HH1 ARG 23 -14.099 1.687 -5.368
15 2HH2 ARG 23 2HH1 ARG 23 -13.568 0.061 -5.042
16 H ALA 24 H ALA 24 -8.478 5.972 -0.548
17 HA ALA 24 HA ALA 24 -7.120 7.305 0.713
18 1HB ALA 24 1HB ALA 24 -9.402 7.760 1.450
19 2HB ALA 24 2HB ALA 24 -9.238 6.564 2.756
20 3HB ALA 24 3HB ALA 24 -8.234 8.030 2.757
21 HA PRO 25 HA PRO 25 -4.824 3.710 2.693
22 1HB PRO 25 1HB PRO 25 -2.339 4.173 1.549
23 2HB PRO 25 2HB PRO 25 -3.644 3.182 0.828
24 1HG PRO 25 1HG PRO 25 -2.980 6.084 0.284
25 2HG PRO 25 2HG PRO 25 -3.313 4.778 -0.900
26 1HD PRO 25 1HD PRO 25 -5.233 6.536 -0.193
27 2HD PRO 25 2HD PRO 25 -5.632 4.804 -0.406
28 H ARG 26 H ARG 26 -4.243 7.127 2.779
29 HA ARG 26 HA ARG 26 -2.376 7.458 4.862
30 1HB ARG 26 1HB ARG 26 -3.424 9.249 3.519
31 2HB ARG 26 2HB ARG 26 -4.972 8.943 4.293
32 1HG ARG 26 1HG ARG 26 -3.963 10.940 5.166
33 2HG ARG 26 2HG ARG 26 -4.089 9.756 6.454
34 1HD ARG 26 1HD ARG 26 -1.521 10.181 4.864
35 2HD ARG 26 2HD ARG 26 -1.945 11.177 6.266
36 HE ARG 26 HE ARG 26 -2.192 8.507 7.110
37 1HH1 ARG 26 2HH2 ARG 26 0.436 10.612 6.137
38 2HH1 ARG 26 1HH2 ARG 26 1.601 9.751 7.105
39 1HH2 ARG 26 1HH1 ARG 26 -0.684 7.470 8.314
40 2HH2 ARG 26 2HH1 ARG 26 0.970 8.013 8.321
41 H ARG 27 H ARG 27 -5.620 6.106 5.088
42 HA ARG 27 HA ARG 27 -6.071 6.093 7.876
43 1HB ARG 27 1HB ARG 27 -7.530 4.241 7.474
44 2HB ARG 27 2HB ARG 27 -7.633 5.325 6.090
45 1HG ARG 27 1HG ARG 27 -5.980 3.766 4.887
46 2HG ARG 27 2HG ARG 27 -6.166 2.649 6.248
47 1HD ARG 27 1HD ARG 27 -8.594 2.529 5.836
48 2HD ARG 27 2HD ARG 27 -8.427 3.677 4.490
49 HE ARG 27 HE ARG 27 -6.661 1.532 3.957
50 1HH1 ARG 27 1HH1 ARG 27 -10.176 1.942 4.114
51 2HH1 ARG 27 2HH1 ARG 27 -10.384 0.671 2.900
52 1HH2 ARG 27 2HH2 ARG 27 -7.121 -0.019 2.485
53 2HH2 ARG 27 1HH2 ARG 27 -8.831 -0.363 2.093
54 H GLN 28 H GLN 28 -3.631 4.336 6.163
55 HA GLN 28 HA GLN 28 -2.687 3.050 8.702
56 1HB GLN 28 1HB GLN 28 -3.891 1.572 6.910
57 2HB GLN 28 2HB GLN 28 -2.458 1.850 5.924
58 1HG GLN 28 1HG GLN 28 -1.151 0.902 8.026
59 2HG GLN 28 2HG GLN 28 -2.735 0.328 8.538
60 1HE2 GLN 28 1HE2 GLN 28 -3.782 -1.358 7.163
61 2HE2 GLN 28 2HE2 GLN 28 -2.809 -2.217 5.981
62 H GLY 29 H GLY 29 -1.902 5.065 5.997
63 1HA GLY 29 2HA GLY 29 0.891 5.468 6.591
64 2HA GLY 29 1HA GLY 29 0.037 5.901 5.100
65 H CYS 30 H CYS 30 -0.869 3.158 4.596
66 HA CYS 30 HA CYS 30 -0.365 1.036 4.119
67 1HB CYS 30 1HB CYS 30 1.561 2.688 2.490
68 2HB CYS 30 2HB CYS 30 1.552 0.927 2.338
69 H TRP 31 H TRP 31 1.100 1.908 6.654
70 HA TRP 31 HA TRP 31 3.715 0.874 6.604
71 1HB TRP 31 1HB TRP 31 2.665 2.463 8.257
72 2HB TRP 31 2HB TRP 31 1.942 1.066 9.052
73 HD1 TRP 31 HD1 TRP 31 3.354 0.180 10.989
74 HE1 TRP 31 HE1 TRP 31 5.820 0.224 11.707
75 HE3 TRP 31 HE3 TRP 31 5.329 2.673 6.968
76 HZ2 TRP 31 HZ2 TRP 31 8.333 1.173 10.652
77 HZ3 TRP 31 HZ3 TRP 31 7.775 3.119 6.847
78 HH2 TRP 31 HH2 TRP 31 9.279 2.375 8.675
79 H LYS 32 H LYS 32 0.836 -0.999 6.738
80 HA LYS 32 HA LYS 32 2.441 -3.469 7.275
81 1HB LYS 32 1HB LYS 32 0.738 -2.985 9.029
82 2HB LYS 32 2HB LYS 32 -0.507 -2.959 7.792
83 1HG LYS 32 1HG LYS 32 -0.748 -4.998 8.850
84 2HG LYS 32 2HG LYS 32 -0.009 -5.412 7.325
85 1HD LYS 32 1HD LYS 32 1.419 -5.180 10.019
86 2HD LYS 32 2HD LYS 32 0.824 -6.677 9.327
87 1HE LYS 32 1HE LYS 32 3.105 -4.978 8.242
88 2HE LYS 32 2HE LYS 32 3.230 -6.504 9.099
89 1HZ LYS 32 3HZ LYS 32 1.995 -7.556 7.246
90 2HZ LYS 32 1HZ LYS 32 2.019 -6.139 6.410
91 3HZ LYS 32 2HZ LYS 32 3.412 -6.913 6.756
92 H CYS 33 H CYS 33 0.182 -1.891 5.110
93 HA CYS 33 HA CYS 33 -0.236 -3.854 3.125
94 1HB CYS 33 1HB CYS 33 -1.360 -1.743 3.097
95 2HB CYS 33 2HB CYS 33 0.161 -0.851 3.172
96 H GLY 34 H GLY 34 2.543 -1.639 3.592
97 1HA GLY 34 2HA GLY 34 4.231 -3.208 1.692
98 2HA GLY 34 1HA GLY 34 4.636 -3.242 3.404
99 H LYS 35 H LYS 35 3.806 -0.186 3.477
100 HA LYS 35 HA LYS 35 5.329 1.305 1.683
101 1HB LYS 35 1HB LYS 35 3.574 2.128 3.174
102 2HB LYS 35 2HB LYS 35 4.634 2.012 4.568
103 1HG LYS 35 1HG LYS 35 5.566 3.626 2.192
104 2HG LYS 35 2HG LYS 35 4.224 4.275 3.113
105 1HD LYS 35 1HD LYS 35 5.434 4.554 5.075
106 2HD LYS 35 2HD LYS 35 6.697 3.406 4.637
107 1HE LYS 35 1HE LYS 35 6.250 5.977 3.077
108 2HE LYS 35 2HE LYS 35 7.253 5.938 4.530
109 1HZ LYS 35 1HZ LYS 35 7.756 4.149 2.215
110 2HZ LYS 35 2HZ LYS 35 8.517 5.591 2.419
111 3HZ LYS 35 3HZ LYS 35 8.723 4.381 3.496
112 H THR 36 H THR 36 6.685 -0.567 4.208
113 HA THR 36 HA THR 36 9.246 0.664 4.540
114 HB THR 36 HB THR 36 9.963 -1.670 5.130
115 HG1 THR 36 HG1 THR 36 8.357 -3.244 5.166
116 1HG2 THR 36 3HG2 THR 36 8.934 -0.162 6.832
117 2HG2 THR 36 1HG2 THR 36 7.332 -0.816 6.430
118 3HG2 THR 36 2HG2 THR 36 8.578 -1.870 7.130
119 H GLY 37 H GLY 37 7.912 -1.022 1.753
120 1HA GLY 37 2HA GLY 37 10.263 -1.864 0.444
121 2HA GLY 37 1HA GLY 37 10.140 -0.133 0.150
122 H HIS 38 H HIS 38 6.939 -1.269 0.190
123 HA HIS 38 HA HIS 38 6.796 -2.552 -2.355
124 1HB HIS 38 1HB HIS 38 4.476 -2.577 -2.062
125 2HB HIS 38 2HB HIS 38 5.161 -2.774 -0.468
126 HD1 HIS 38 HD1 HIS 38 5.243 0.875 -1.100
127 HD2 HIS 38 HD2 HIS 38 2.342 -2.034 -0.214
128 HE1 HIS 38 HE1 HIS 38 3.214 2.136 -0.206
129 H VAL 39 H VAL 39 5.171 -1.764 -4.043
130 HA VAL 39 HA VAL 39 5.582 1.081 -4.849
131 HB VAL 39 HB VAL 39 5.956 -1.357 -6.646
132 1HG1 VAL 39 2HG1 VAL 39 6.280 1.618 -7.247
133 2HG1 VAL 39 3HG1 VAL 39 6.815 0.303 -8.310
134 3HG1 VAL 39 1HG1 VAL 39 5.105 0.501 -7.991
135 1HG2 VAL 39 3HG2 VAL 39 8.013 0.629 -5.583
136 2HG2 VAL 39 1HG2 VAL 39 7.919 -1.103 -5.189
137 3HG2 VAL 39 2HG2 VAL 39 8.326 -0.603 -6.825
138 H MET 40 H MET 40 3.945 1.844 -6.335
139 HA MET 40 HA MET 40 1.282 1.149 -5.717
140 1HB MET 40 1HB MET 40 2.434 2.669 -8.081
141 2HB MET 40 2HB MET 40 0.711 2.598 -7.687
142 1HG MET 40 1HG MET 40 1.126 3.579 -5.481
143 2HG MET 40 2HG MET 40 2.854 3.677 -5.811
144 1HE MET 40 1HE MET 40 4.021 5.405 -7.315
145 2HE MET 40 2HE MET 40 3.173 4.777 -8.748
146 3HE MET 40 3HE MET 40 3.188 6.520 -8.417
147 H ALA 41 H ALA 41 3.336 -0.472 -7.998
148 HA ALA 41 HA ALA 41 1.289 -1.744 -9.587
149 1HB ALA 41 1HB ALA 41 3.656 -1.528 -10.274
150 2HB ALA 41 2HB ALA 41 4.151 -2.578 -8.923
151 3HB ALA 41 3HB ALA 41 3.149 -3.226 -10.238
152 H LYS 42 H LYS 42 2.196 -2.203 -6.296
153 HA LYS 42 HA LYS 42 0.802 -4.855 -6.151
154 1HB LYS 42 1HB LYS 42 3.326 -4.986 -6.086
155 2HB LYS 42 2HB LYS 42 3.302 -3.992 -4.635
156 1HG LYS 42 1HG LYS 42 3.602 -6.298 -4.031
157 2HG LYS 42 2HG LYS 42 2.023 -5.780 -3.444
158 1HD LYS 42 1HD LYS 42 0.907 -6.952 -5.301
159 2HD LYS 42 2HD LYS 42 2.480 -7.328 -6.039
160 1HE LYS 42 1HE LYS 42 3.088 -8.632 -3.989
161 2HE LYS 42 2HE LYS 42 1.479 -8.305 -3.326
162 1HZ LYS 42 1HZ LYS 42 2.008 -9.797 -5.844
163 2HZ LYS 42 2HZ LYS 42 1.544 -10.463 -4.423
164 3HZ LYS 42 3HZ LYS 42 0.520 -9.483 -5.227
165 H CYS 43 H CYS 43 1.509 -1.810 -4.477
166 HA CYS 43 HA CYS 43 0.322 -2.111 -2.035
167 1HB CYS 43 1HB CYS 43 1.518 -0.155 -2.738
168 2HB CYS 43 2HB CYS 43 0.318 0.233 -3.964
169 HA PRO 44 HA PRO 44 -4.205 -1.276 -3.814
170 1HB PRO 44 1HB PRO 44 -3.805 -2.830 -6.377
171 2HB PRO 44 2HB PRO 44 -4.985 -1.528 -6.019
172 1HG PRO 44 1HG PRO 44 -2.729 -0.957 -7.392
173 2HG PRO 44 2HG PRO 44 -3.265 0.139 -6.076
174 1HD PRO 44 1HD PRO 44 -1.134 -1.998 -5.997
175 2HD PRO 44 2HD PRO 44 -1.101 -0.336 -5.339
176 H GLU 45 H GLU 45 -2.297 -4.265 -4.254
177 HA GLU 45 HA GLU 45 -4.462 -6.116 -3.913
178 1HB GLU 45 1HB GLU 45 -1.967 -6.372 -4.809
179 2HB GLU 45 2HB GLU 45 -1.633 -6.780 -3.124
180 1HG GLU 45 1HG GLU 45 -3.516 -8.536 -3.346
181 2HG GLU 45 2HG GLU 45 -3.554 -8.150 -5.064
182 H ARG 46 H ARG 46 -3.155 -3.994 -1.634
183 HA ARG 46 HA ARG 46 -4.460 -5.500 0.620
184 1HB ARG 46 1HB ARG 46 -2.061 -3.654 0.794
185 2HB ARG 46 2HB ARG 46 -2.787 -4.515 2.141
186 1HG ARG 46 1HG ARG 46 -1.337 -5.814 -0.208
187 2HG ARG 46 2HG ARG 46 -0.641 -5.482 1.370
188 1HD ARG 46 1HD ARG 46 -2.178 -7.006 2.471
189 2HD ARG 46 2HD ARG 46 -3.056 -7.295 0.971
190 HE ARG 46 HE ARG 46 -0.370 -8.316 1.708
191 1HH1 ARG 46 1HH1 ARG 46 -2.807 -8.156 -0.849
192 2HH1 ARG 46 2HH1 ARG 46 -1.884 -9.278 -1.844
193 1HH2 ARG 46 1HH2 ARG 46 0.625 -9.821 0.346
194 2HH2 ARG 46 2HH2 ARG 46 -0.146 -10.215 -1.173
195 H GLN 47 H GLN 47 -4.869 -2.915 -1.362
196 HA GLN 47 HA GLN 47 -6.239 -1.253 0.710
197 1HB GLN 47 1HB GLN 47 -4.254 -0.303 -1.386
198 2HB GLN 47 2HB GLN 47 -5.260 0.783 -0.442
199 1HG GLN 47 1HG GLN 47 -3.224 -1.100 0.820
200 2HG GLN 47 2HG GLN 47 -2.894 0.543 0.317
201 1HE2 GLN 47 1HE2 GLN 47 -2.329 1.133 2.495
202 2HE2 GLN 47 2HE2 GLN 47 -3.595 1.348 3.702
203 H ALA 48 H ALA 48 -6.697 -2.787 -2.279
204 HA ALA 48 HA ALA 48 -8.298 -0.914 -3.664
205 1HB ALA 48 2HB ALA 48 -8.318 -3.960 -3.688
206 2HB ALA 48 1HB ALA 48 -7.324 -2.888 -4.707
207 3HB ALA 48 3HB ALA 48 -9.078 -2.917 -4.909
208 H GLY 49 H GLY 49 -9.118 -2.326 -0.707
209 1HA GLY 49 2HA GLY 49 -11.266 -2.616 0.362
210 2HA GLY 49 1HA GLY 49 -12.065 -1.874 -1.028
No H/Q in entry = 210
Start of MODEL 9
1 H1 ARG 23 3H ARG 23 -10.680 1.388 1.289
2 H2 ARG 23 2H ARG 23 -11.185 1.706 -0.241
3 H3 ARG 23 1H ARG 23 -10.817 0.166 0.218
4 HA ARG 23 HA ARG 23 -8.537 0.643 0.473
5 1HB ARG 23 1HB ARG 23 -9.705 0.186 -1.876
6 2HB ARG 23 2HB ARG 23 -9.202 1.816 -2.243
7 1HG ARG 23 1HG ARG 23 -7.063 1.166 -2.590
8 2HG ARG 23 2HG ARG 23 -6.968 0.394 -1.018
9 1HD ARG 23 1HD ARG 23 -7.983 -0.852 -3.598
10 2HD ARG 23 2HD ARG 23 -6.483 -1.236 -2.743
11 HE ARG 23 HE ARG 23 -8.807 -1.634 -1.041
12 1HH1 ARG 23 1HH2 ARG 23 -7.013 -3.404 -3.493
13 2HH1 ARG 23 2HH2 ARG 23 -8.056 -4.792 -3.301
14 1HH2 ARG 23 2HH1 ARG 23 -9.901 -3.315 -0.783
15 2HH2 ARG 23 1HH1 ARG 23 -9.654 -4.783 -1.730
16 H ALA 24 H ALA 24 -7.208 2.083 1.419
17 HA ALA 24 HA ALA 24 -6.970 4.821 0.564
18 1HB ALA 24 3HB ALA 24 -8.995 5.117 1.937
19 2HB ALA 24 2HB ALA 24 -7.608 5.860 2.746
20 3HB ALA 24 1HB ALA 24 -8.220 4.288 3.304
21 HA PRO 25 HA PRO 25 -3.080 3.678 2.649
22 1HB PRO 25 1HB PRO 25 -1.518 5.794 1.973
23 2HB PRO 25 2HB PRO 25 -2.029 4.555 0.790
24 1HG PRO 25 1HG PRO 25 -3.254 7.287 1.259
25 2HG PRO 25 2HG PRO 25 -2.815 6.517 -0.296
26 1HD PRO 25 1HD PRO 25 -5.369 6.475 0.724
27 2HD PRO 25 2HD PRO 25 -4.705 5.138 -0.262
28 H ARG 26 H ARG 26 -4.507 6.927 3.132
29 HA ARG 26 HA ARG 26 -2.839 7.881 5.141
30 1HB ARG 26 1HB ARG 26 -4.464 9.195 3.825
31 2HB ARG 26 2HB ARG 26 -5.801 8.485 4.743
32 1HG ARG 26 1HG ARG 26 -4.967 9.534 6.815
33 2HG ARG 26 2HG ARG 26 -3.546 10.155 5.954
34 1HD ARG 26 1HD ARG 26 -4.980 11.544 4.531
35 2HD ARG 26 2HD ARG 26 -6.433 10.881 5.276
36 HE ARG 26 HE ARG 26 -4.556 12.857 6.416
37 1HH1 ARG 26 2HH1 ARG 26 -7.296 10.792 7.158
38 2HH1 ARG 26 1HH1 ARG 26 -7.678 11.677 8.610
39 1HH2 ARG 26 1HH2 ARG 26 -5.103 13.929 8.277
40 2HH2 ARG 26 2HH2 ARG 26 -6.467 13.403 9.219
41 H ARG 27 H ARG 27 -5.664 5.857 5.645
42 HA ARG 27 HA ARG 27 -5.850 5.932 8.490
43 1HB ARG 27 1HB ARG 27 -7.129 3.834 8.248
44 2HB ARG 27 2HB ARG 27 -7.628 5.056 7.077
45 1HG ARG 27 1HG ARG 27 -6.277 3.959 5.326
46 2HG ARG 27 2HG ARG 27 -5.742 2.725 6.477
47 1HD ARG 27 1HD ARG 27 -8.037 1.920 6.725
48 2HD ARG 27 2HD ARG 27 -8.630 3.213 5.654
49 HE ARG 27 HE ARG 27 -6.636 1.904 4.200
50 1HH1 ARG 27 2HH1 ARG 27 -9.857 1.013 5.379
51 2HH1 ARG 27 1HH1 ARG 27 -10.027 -0.153 4.062
52 1HH2 ARG 27 1HH2 ARG 27 -6.973 0.219 2.727
53 2HH2 ARG 27 2HH2 ARG 27 -8.557 -0.571 2.763
54 H GLN 28 H GLN 28 -3.376 4.454 6.622
55 HA GLN 28 HA GLN 28 -2.341 2.965 9.010
56 1HB GLN 28 1HB GLN 28 -3.666 1.640 7.180
57 2HB GLN 28 2HB GLN 28 -2.266 1.939 6.155
58 1HG GLN 28 1HG GLN 28 -0.893 0.808 8.090
59 2HG GLN 28 2HG GLN 28 -2.463 0.297 8.710
60 1HE2 GLN 28 2HE2 GLN 28 -3.706 -1.276 7.369
61 2HE2 GLN 28 1HE2 GLN 28 -2.881 -2.132 6.075
62 H GLY 29 H GLY 29 -1.609 5.141 6.413
63 1HA GLY 29 2HA GLY 29 1.224 5.387 6.846
64 2HA GLY 29 1HA GLY 29 0.301 5.921 5.432
65 H CYS 30 H CYS 30 -0.739 3.219 4.859
66 HA CYS 30 HA CYS 30 -0.319 1.094 4.292
67 1HB CYS 30 1HB CYS 30 1.497 2.767 2.588
68 2HB CYS 30 2HB CYS 30 1.570 1.010 2.440
69 H TRP 31 H TRP 31 1.199 1.859 6.774
70 HA TRP 31 HA TRP 31 3.772 0.705 6.823
71 1HB TRP 31 1HB TRP 31 2.908 2.304 8.450
72 2HB TRP 31 2HB TRP 31 1.726 1.132 9.019
73 HD1 TRP 31 HD1 TRP 31 5.593 1.397 8.805
74 HE1 TRP 31 HE1 TRP 31 6.621 0.258 10.863
75 HE3 TRP 31 HE3 TRP 31 1.289 -0.250 11.052
76 HZ2 TRP 31 HZ2 TRP 31 5.699 -1.232 13.159
77 HZ3 TRP 31 HZ3 TRP 31 1.398 -1.542 13.172
78 HH2 TRP 31 HH2 TRP 31 3.590 -2.040 14.230
79 H LYS 32 H LYS 32 0.870 -1.067 6.558
80 HA LYS 32 HA LYS 32 2.358 -3.589 7.174
81 1HB LYS 32 1HB LYS 32 0.495 -2.772 8.883
82 2HB LYS 32 2HB LYS 32 -0.621 -3.338 7.655
83 1HG LYS 32 1HG LYS 32 -0.292 -5.066 9.303
84 2HG LYS 32 2HG LYS 32 0.390 -5.608 7.777
85 1HD LYS 32 1HD LYS 32 1.773 -6.231 9.710
86 2HD LYS 32 2HD LYS 32 2.672 -5.222 8.598
87 1HE LYS 32 1HE LYS 32 1.275 -3.654 10.693
88 2HE LYS 32 2HE LYS 32 2.330 -4.881 11.382
89 1HZ LYS 32 2HZ LYS 32 3.247 -2.841 9.410
90 2HZ LYS 32 3HZ LYS 32 3.493 -2.778 11.024
91 3HZ LYS 32 1HZ LYS 32 4.183 -3.966 10.140
92 H CYS 33 H CYS 33 0.125 -1.922 5.087
93 HA CYS 33 HA CYS 33 -0.288 -3.818 3.035
94 1HB CYS 33 1HB CYS 33 -1.301 -1.610 3.154
95 2HB CYS 33 2HB CYS 33 0.279 -0.829 3.096
96 H GLY 34 H GLY 34 2.488 -1.552 3.478
97 1HA GLY 34 2HA GLY 34 4.235 -3.233 1.745
98 2HA GLY 34 1HA GLY 34 4.593 -3.193 3.468
99 H LYS 35 H LYS 35 3.835 -0.170 3.499
100 HA LYS 35 HA LYS 35 5.332 1.291 1.646
101 1HB LYS 35 1HB LYS 35 3.579 2.123 3.144
102 2HB LYS 35 2HB LYS 35 4.663 2.055 4.523
103 1HG LYS 35 1HG LYS 35 5.504 3.623 2.081
104 2HG LYS 35 2HG LYS 35 4.200 4.283 3.053
105 1HD LYS 35 1HD LYS 35 5.497 4.562 4.972
106 2HD LYS 35 2HD LYS 35 6.755 3.452 4.460
107 1HE LYS 35 1HE LYS 35 6.187 6.157 3.169
108 2HE LYS 35 2HE LYS 35 7.444 5.837 4.368
109 1HZ LYS 35 1HZ LYS 35 8.372 4.173 2.769
110 2HZ LYS 35 2HZ LYS 35 7.314 4.674 1.643
111 3HZ LYS 35 3HZ LYS 35 8.439 5.713 2.208
112 H THR 36 H THR 36 6.713 -0.572 4.149
113 HA THR 36 HA THR 36 9.282 0.654 4.461
114 HB THR 36 HB THR 36 10.014 -1.685 4.997
115 HG1 THR 36 HG1 THR 36 8.421 -3.271 5.022
116 1HG2 THR 36 2HG2 THR 36 8.993 -0.212 6.740
117 2HG2 THR 36 3HG2 THR 36 7.394 -0.885 6.351
118 3HG2 THR 36 1HG2 THR 36 8.668 -1.930 7.013
119 H GLY 37 H GLY 37 7.901 -1.016 1.683
120 1HA GLY 37 2HA GLY 37 10.229 -1.804 0.305
121 2HA GLY 37 1HA GLY 37 10.078 -0.070 0.043
122 H HIS 38 H HIS 38 6.888 -1.242 0.145
123 HA HIS 38 HA HIS 38 6.704 -2.489 -2.411
124 1HB HIS 38 1HB HIS 38 4.383 -2.507 -2.102
125 2HB HIS 38 2HB HIS 38 5.093 -2.752 -0.524
126 HD1 HIS 38 HD1 HIS 38 5.119 0.922 -1.148
127 HD2 HIS 38 HD2 HIS 38 2.327 -2.039 -0.093
128 HE1 HIS 38 HE1 HIS 38 3.125 2.146 -0.127
129 H VAL 39 H VAL 39 5.146 -1.720 -4.110
130 HA VAL 39 HA VAL 39 5.566 1.123 -4.937
131 HB VAL 39 HB VAL 39 6.010 -1.361 -6.659
132 1HG1 VAL 39 2HG1 VAL 39 6.344 1.596 -7.339
133 2HG1 VAL 39 3HG1 VAL 39 6.940 0.254 -8.334
134 3HG1 VAL 39 1HG1 VAL 39 5.217 0.441 -8.103
135 1HG2 VAL 39 2HG2 VAL 39 8.021 0.662 -5.577
136 2HG2 VAL 39 3HG2 VAL 39 7.914 -1.056 -5.136
137 3HG2 VAL 39 1HG2 VAL 39 8.382 -0.606 -6.769
138 H MET 40 H MET 40 3.987 1.793 -6.607
139 HA MET 40 HA MET 40 1.300 1.106 -6.036
140 1HB MET 40 1HB MET 40 2.516 2.510 -8.446
141 2HB MET 40 2HB MET 40 0.783 2.430 -8.103
142 1HG MET 40 1HG MET 40 1.139 3.546 -5.930
143 2HG MET 40 2HG MET 40 2.867 3.676 -6.273
144 1HE MET 40 3HE MET 40 2.765 6.257 -5.732
145 2HE MET 40 1HE MET 40 1.628 7.386 -6.501
146 3HE MET 40 2HE MET 40 1.021 6.123 -5.407
147 H ALA 41 H ALA 41 3.457 -0.706 -8.027
148 HA ALA 41 HA ALA 41 1.456 -2.095 -9.612
149 1HB ALA 41 2HB ALA 41 3.843 -1.928 -10.248
150 2HB ALA 41 3HB ALA 41 4.299 -2.854 -8.797
151 3HB ALA 41 1HB ALA 41 3.336 -3.617 -10.079
152 H LYS 42 H LYS 42 2.189 -2.202 -6.276
153 HA LYS 42 HA LYS 42 0.960 -4.913 -5.883
154 1HB LYS 42 1HB LYS 42 3.444 -4.959 -5.831
155 2HB LYS 42 2HB LYS 42 3.450 -3.721 -4.583
156 1HG LYS 42 1HG LYS 42 3.900 -5.909 -3.657
157 2HG LYS 42 2HG LYS 42 2.402 -5.267 -2.989
158 1HD LYS 42 1HD LYS 42 1.061 -6.761 -4.358
159 2HD LYS 42 2HD LYS 42 2.480 -7.236 -5.321
160 1HE LYS 42 1HE LYS 42 3.521 -8.249 -3.326
161 2HE LYS 42 2HE LYS 42 2.147 -7.756 -2.333
162 1HZ LYS 42 3HZ LYS 42 1.976 -9.638 -4.626
163 2HZ LYS 42 1HZ LYS 42 1.950 -10.074 -3.053
164 3HZ LYS 42 2HZ LYS 42 0.718 -9.197 -3.676
165 H CYS 43 H CYS 43 1.579 -1.712 -4.431
166 HA CYS 43 HA CYS 43 0.255 -1.962 -2.016
167 1HB CYS 43 1HB CYS 43 1.592 -0.061 -2.669
168 2HB CYS 43 2HB CYS 43 0.432 0.414 -3.905
169 HA PRO 44 HA PRO 44 -4.067 -0.952 -4.083
170 1HB PRO 44 1HB PRO 44 -3.635 -2.397 -6.699
171 2HB PRO 44 2HB PRO 44 -4.707 -1.006 -6.340
172 1HG PRO 44 1HG PRO 44 -2.341 -0.603 -7.574
173 2HG PRO 44 2HG PRO 44 -2.843 0.493 -6.244
174 1HD PRO 44 1HD PRO 44 -0.949 -1.864 -6.119
175 2HD PRO 44 2HD PRO 44 -0.756 -0.222 -5.442
176 H GLU 45 H GLU 45 -2.280 -3.988 -4.547
177 HA GLU 45 HA GLU 45 -4.650 -5.691 -4.003
178 1HB GLU 45 1HB GLU 45 -2.808 -6.406 -5.556
179 2HB GLU 45 2HB GLU 45 -1.682 -6.359 -4.202
180 1HG GLU 45 1HG GLU 45 -3.272 -8.061 -3.044
181 2HG GLU 45 2HG GLU 45 -4.033 -8.234 -4.624
182 H ARG 46 H ARG 46 -1.534 -4.855 -2.441
183 HA ARG 46 HA ARG 46 -1.922 -6.285 -0.009
184 1HB ARG 46 1HB ARG 46 -0.164 -3.965 -0.878
185 2HB ARG 46 2HB ARG 46 -0.141 -4.538 0.775
186 1HG ARG 46 1HG ARG 46 0.503 -6.222 -1.674
187 2HG ARG 46 2HG ARG 46 1.675 -5.511 -0.562
188 1HD ARG 46 1HD ARG 46 -0.309 -7.731 0.005
189 2HD ARG 46 2HD ARG 46 1.450 -7.835 0.000
190 HE ARG 46 HE ARG 46 1.237 -6.064 1.944
191 1HH1 ARG 46 1HH2 ARG 46 -0.918 -8.813 1.542
192 2HH1 ARG 46 2HH2 ARG 46 -1.369 -8.813 3.223
193 1HH2 ARG 46 2HH1 ARG 46 0.659 -6.182 4.107
194 2HH2 ARG 46 1HH1 ARG 46 -0.486 -7.387 4.616
195 H GLN 47 H GLN 47 -3.085 -3.112 -0.843
196 HA GLN 47 HA GLN 47 -3.894 -2.101 1.634
197 1HB GLN 47 1HB GLN 47 -4.811 -1.939 -1.218
198 2HB GLN 47 2HB GLN 47 -5.962 -1.402 -0.013
199 1HG GLN 47 1HG GLN 47 -3.081 -0.403 -0.024
200 2HG GLN 47 2HG GLN 47 -4.345 0.368 -0.979
201 1HE2 GLN 47 1HE2 GLN 47 -2.755 1.145 1.708
202 2HE2 GLN 47 2HE2 GLN 47 -4.123 1.757 2.637
203 H ALA 48 H ALA 48 -5.280 -4.861 -0.024
204 HA ALA 48 HA ALA 48 -6.824 -6.377 0.434
205 1HB ALA 48 1HB ALA 48 -6.054 -5.733 3.295
206 2HB ALA 48 2HB ALA 48 -6.718 -7.267 2.695
207 3HB ALA 48 3HB ALA 48 -5.118 -6.728 2.156
208 H GLY 49 H GLY 49 -7.860 -3.312 1.559
209 1HA GLY 49 2HA GLY 49 -10.212 -3.599 2.911
210 2HA GLY 49 1HA GLY 49 -10.702 -4.050 1.276
No H/Q in entry = 210
Start of MODEL 10
1 H1 ARG 23 3H ARG 23 -11.319 -0.200 -1.264
2 H2 ARG 23 2H ARG 23 -10.792 -1.756 -1.188
3 H3 ARG 23 1H ARG 23 -10.763 -0.841 0.151
4 HA ARG 23 HA ARG 23 -8.540 -0.981 -0.622
5 1HB ARG 23 1HB ARG 23 -9.644 0.114 -3.238
6 2HB ARG 23 2HB ARG 23 -7.939 -0.047 -2.861
7 1HG ARG 23 1HG ARG 23 -9.876 -2.403 -3.100
8 2HG ARG 23 2HG ARG 23 -8.842 -1.781 -4.367
9 1HD ARG 23 1HD ARG 23 -7.619 -3.556 -3.655
10 2HD ARG 23 2HD ARG 23 -6.847 -2.234 -2.769
11 HE ARG 23 HE ARG 23 -8.899 -3.395 -1.115
12 1HH1 ARG 23 2HH1 ARG 23 -5.842 -4.485 -2.441
13 2HH1 ARG 23 1HH1 ARG 23 -5.567 -5.556 -1.081
14 1HH2 ARG 23 1HH2 ARG 23 -8.525 -4.673 0.457
15 2HH2 ARG 23 2HH2 ARG 23 -6.977 -5.512 0.637
16 H ALA 24 H ALA 24 -7.406 0.604 0.307
17 HA ALA 24 HA ALA 24 -7.665 3.373 -0.166
18 1HB ALA 24 1HB ALA 24 -9.709 3.275 1.200
19 2HB ALA 24 3HB ALA 24 -8.438 4.129 2.084
20 3HB ALA 24 2HB ALA 24 -8.830 2.449 2.504
21 HA PRO 25 HA PRO 25 -3.735 2.648 2.092
22 1HB PRO 25 1HB PRO 25 -2.262 4.694 1.131
23 2HB PRO 25 2HB PRO 25 -2.777 3.340 0.082
24 1HG PRO 25 1HG PRO 25 -4.053 6.079 0.318
25 2HG PRO 25 2HG PRO 25 -3.616 5.177 -1.163
26 1HD PRO 25 1HD PRO 25 -6.155 5.156 -0.056
27 2HD PRO 25 2HD PRO 25 -5.479 3.795 -0.998
28 H ARG 26 H ARG 26 -5.389 5.819 2.133
29 HA ARG 26 HA ARG 26 -3.649 7.132 3.881
30 1HB ARG 26 1HB ARG 26 -5.274 8.893 4.010
31 2HB ARG 26 2HB ARG 26 -5.190 8.266 2.370
32 1HG ARG 26 1HG ARG 26 -7.288 7.004 2.700
33 2HG ARG 26 2HG ARG 26 -7.386 7.547 4.380
34 1HD ARG 26 1HD ARG 26 -7.393 9.396 1.963
35 2HD ARG 26 2HD ARG 26 -8.845 8.819 2.799
36 HE ARG 26 HE ARG 26 -7.250 9.958 4.796
37 1HH1 ARG 26 1HH2 ARG 26 -8.854 11.168 1.927
38 2HH1 ARG 26 2HH2 ARG 26 -9.019 12.773 2.587
39 1HH2 ARG 26 1HH1 ARG 26 -7.481 12.023 5.572
40 2HH2 ARG 26 2HH1 ARG 26 -8.262 13.235 4.600
41 H ARG 27 H ARG 27 -6.243 5.066 4.847
42 HA ARG 27 HA ARG 27 -6.525 5.788 7.606
43 1HB ARG 27 1HB ARG 27 -7.507 3.548 7.864
44 2HB ARG 27 2HB ARG 27 -8.113 4.353 6.413
45 1HG ARG 27 1HG ARG 27 -6.453 3.066 5.040
46 2HG ARG 27 2HG ARG 27 -5.936 2.205 6.496
47 1HD ARG 27 1HD ARG 27 -8.059 1.113 6.712
48 2HD ARG 27 2HD ARG 27 -8.800 2.192 5.501
49 HE ARG 27 HE ARG 27 -6.517 0.885 4.372
50 1HH1 ARG 27 1HH2 ARG 27 -9.893 0.072 5.069
51 2HH1 ARG 27 2HH2 ARG 27 -9.981 -0.830 3.554
52 1HH2 ARG 27 2HH1 ARG 27 -6.868 -0.110 2.531
53 2HH2 ARG 27 1HH1 ARG 27 -8.406 -0.963 2.272
54 H GLN 28 H GLN 28 -3.894 4.218 6.043
55 HA GLN 28 HA GLN 28 -2.627 3.498 8.668
56 1HB GLN 28 1HB GLN 28 -3.688 1.603 7.267
57 2HB GLN 28 2HB GLN 28 -2.445 1.938 6.065
58 1HG GLN 28 1HG GLN 28 -0.740 1.499 7.997
59 2HG GLN 28 2HG GLN 28 -2.121 0.867 8.895
60 1HE2 GLN 28 1HE2 GLN 28 -3.134 -1.149 8.054
61 2HE2 GLN 28 2HE2 GLN 28 -2.263 -2.113 6.871
62 H GLY 29 H GLY 29 -2.236 4.971 5.500
63 1HA GLY 29 2HA GLY 29 0.485 5.888 5.927
64 2HA GLY 29 1HA GLY 29 -0.445 5.925 4.418
65 H CYS 30 H CYS 30 -1.005 3.067 4.447
66 HA CYS 30 HA CYS 30 -0.294 1.004 4.108
67 1HB CYS 30 1HB CYS 30 1.385 2.685 2.247
68 2HB CYS 30 2HB CYS 30 1.449 0.917 2.203
69 H TRP 31 H TRP 31 1.431 2.328 6.367
70 HA TRP 31 HA TRP 31 4.012 1.167 6.146
71 1HB TRP 31 1HB TRP 31 3.243 3.143 7.543
72 2HB TRP 31 2HB TRP 31 2.653 1.980 8.725
73 HD1 TRP 31 HD1 TRP 31 4.339 1.659 10.606
74 HE1 TRP 31 HE1 TRP 31 6.889 1.724 10.903
75 HE3 TRP 31 HE3 TRP 31 5.696 2.749 5.786
76 HZ2 TRP 31 HZ2 TRP 31 9.219 2.151 9.253
77 HZ3 TRP 31 HZ3 TRP 31 8.093 2.968 5.172
78 HH2 TRP 31 HH2 TRP 31 9.859 2.672 6.894
79 H LYS 32 H LYS 32 1.274 -0.639 6.562
80 HA LYS 32 HA LYS 32 2.953 -2.949 7.408
81 1HB LYS 32 1HB LYS 32 1.460 -2.047 9.313
82 2HB LYS 32 2HB LYS 32 0.086 -2.577 8.358
83 1HG LYS 32 1HG LYS 32 0.625 -4.215 10.059
84 2HG LYS 32 2HG LYS 32 0.868 -4.909 8.467
85 1HD LYS 32 1HD LYS 32 2.592 -5.603 10.039
86 2HD LYS 32 2HD LYS 32 3.319 -4.725 8.711
87 1HE LYS 32 1HE LYS 32 2.561 -3.118 11.145
88 2HE LYS 32 2HE LYS 32 3.828 -4.318 11.377
89 1HZ LYS 32 2HZ LYS 32 5.099 -3.287 9.590
90 2HZ LYS 32 3HZ LYS 32 3.963 -2.134 9.348
91 3HZ LYS 32 1HZ LYS 32 4.781 -2.198 10.755
92 H CYS 33 H CYS 33 0.322 -1.746 5.470
93 HA CYS 33 HA CYS 33 -0.302 -3.906 3.775
94 1HB CYS 33 1HB CYS 33 -1.356 -1.756 3.625
95 2HB CYS 33 2HB CYS 33 0.192 -0.932 3.468
96 H GLY 34 H GLY 34 2.472 -1.625 3.543
97 1HA GLY 34 2HA GLY 34 3.980 -3.421 1.748
98 2HA GLY 34 1HA GLY 34 4.523 -3.410 3.422
99 H LYS 35 H LYS 35 3.734 -0.233 3.170
100 HA LYS 35 HA LYS 35 5.529 0.823 1.239
101 1HB LYS 35 1HB LYS 35 3.545 1.907 2.507
102 2HB LYS 35 2HB LYS 35 4.732 2.323 3.737
103 1HG LYS 35 1HG LYS 35 6.052 3.515 1.864
104 2HG LYS 35 2HG LYS 35 4.730 3.097 0.775
105 1HD LYS 35 1HD LYS 35 4.370 5.349 1.453
106 2HD LYS 35 2HD LYS 35 3.176 4.375 2.319
107 1HE LYS 35 1HE LYS 35 4.865 4.330 4.277
108 2HE LYS 35 2HE LYS 35 5.802 5.533 3.382
109 1HZ LYS 35 2HZ LYS 35 3.782 6.960 3.444
110 2HZ LYS 35 3HZ LYS 35 3.012 5.808 4.338
111 3HZ LYS 35 1HZ LYS 35 4.307 6.600 4.952
112 H THR 36 H THR 36 6.472 -0.727 4.046
113 HA THR 36 HA THR 36 9.056 0.424 4.554
114 HB THR 36 HB THR 36 9.628 -1.931 5.231
115 HG1 THR 36 HG1 THR 36 7.956 -3.426 5.203
116 1HG2 THR 36 2HG2 THR 36 8.599 -0.349 6.851
117 2HG2 THR 36 3HG2 THR 36 6.982 -0.896 6.362
118 3HG2 THR 36 1HG2 THR 36 8.108 -2.023 7.149
119 H GLY 37 H GLY 37 7.794 -1.308 1.768
120 1HA GLY 37 2HA GLY 37 10.053 -2.241 0.453
121 2HA GLY 37 1HA GLY 37 10.150 -0.494 0.263
122 H HIS 38 H HIS 38 6.834 -1.520 0.196
123 HA HIS 38 HA HIS 38 6.716 -2.443 -2.495
124 1HB HIS 38 1HB HIS 38 4.430 -2.605 -2.237
125 2HB HIS 38 2HB HIS 38 5.061 -2.903 -0.638
126 HD1 HIS 38 HD1 HIS 38 4.813 0.817 -1.252
127 HD2 HIS 38 HD2 HIS 38 2.308 -2.380 -0.157
128 HE1 HIS 38 HE1 HIS 38 2.692 1.858 -0.296
129 H VAL 39 H VAL 39 5.215 -1.491 -4.132
130 HA VAL 39 HA VAL 39 5.402 1.466 -4.484
131 HB VAL 39 HB VAL 39 6.043 -0.618 -6.623
132 1HG1 VAL 39 3HG1 VAL 39 6.130 2.431 -6.728
133 2HG1 VAL 39 1HG1 VAL 39 6.822 1.357 -7.958
134 3HG1 VAL 39 2HG1 VAL 39 5.092 1.357 -7.702
135 1HG2 VAL 39 3HG2 VAL 39 7.900 1.319 -5.172
136 2HG2 VAL 39 1HG2 VAL 39 7.935 -0.456 -5.065
137 3HG2 VAL 39 2HG2 VAL 39 8.346 0.331 -6.582
138 H MET 40 H MET 40 3.707 2.232 -6.058
139 HA MET 40 HA MET 40 1.148 1.066 -5.601
140 1HB MET 40 1HB MET 40 2.071 3.100 -7.664
141 2HB MET 40 2HB MET 40 0.378 2.684 -7.372
142 1HG MET 40 1HG MET 40 2.274 3.827 -5.287
143 2HG MET 40 2HG MET 40 1.056 4.733 -6.179
144 1HE MET 40 2HE MET 40 1.453 4.590 -2.945
145 2HE MET 40 3HE MET 40 0.279 5.655 -3.754
146 3HE MET 40 1HE MET 40 -0.249 4.589 -2.433
147 H ALA 41 H ALA 41 3.491 0.027 -7.891
148 HA ALA 41 HA ALA 41 1.707 -1.398 -9.680
149 1HB ALA 41 3HB ALA 41 4.037 -0.787 -10.248
150 2HB ALA 41 1HB ALA 41 4.638 -1.844 -8.946
151 3HB ALA 41 2HB ALA 41 3.788 -2.539 -10.343
152 H LYS 42 H LYS 42 2.462 -1.889 -6.395
153 HA LYS 42 HA LYS 42 1.621 -4.762 -6.422
154 1HB LYS 42 1HB LYS 42 4.069 -4.474 -6.071
155 2HB LYS 42 2HB LYS 42 3.751 -3.333 -4.779
156 1HG LYS 42 1HG LYS 42 4.324 -5.180 -3.597
157 2HG LYS 42 2HG LYS 42 2.586 -5.300 -3.542
158 1HD LYS 42 1HD LYS 42 4.513 -6.874 -5.289
159 2HD LYS 42 2HD LYS 42 3.624 -7.478 -3.899
160 1HE LYS 42 1HE LYS 42 2.452 -6.655 -6.587
161 2HE LYS 42 2HE LYS 42 2.688 -8.297 -5.998
162 1HZ LYS 42 1HZ LYS 42 1.064 -7.819 -4.192
163 2HZ LYS 42 2HZ LYS 42 0.820 -6.319 -4.783
164 3HZ LYS 42 3HZ LYS 42 0.412 -7.631 -5.673
165 H CYS 43 H CYS 43 1.581 -1.709 -4.602
166 HA CYS 43 HA CYS 43 0.273 -2.363 -2.313
167 1HB CYS 43 1HB CYS 43 1.254 -0.197 -2.898
168 2HB CYS 43 2HB CYS 43 -0.113 0.150 -3.969
169 HA PRO 44 HA PRO 44 -4.158 -1.844 -4.422
170 1HB PRO 44 1HB PRO 44 -3.446 -3.417 -6.908
171 2HB PRO 44 2HB PRO 44 -4.759 -2.217 -6.673
172 1HG PRO 44 1HG PRO 44 -2.462 -1.454 -7.864
173 2HG PRO 44 2HG PRO 44 -3.183 -0.407 -6.596
174 1HD PRO 44 1HD PRO 44 -0.900 -2.366 -6.355
175 2HD PRO 44 2HD PRO 44 -1.044 -0.712 -5.686
176 H GLU 45 H GLU 45 -2.109 -4.751 -4.607
177 HA GLU 45 HA GLU 45 -4.337 -6.547 -3.770
178 1HB GLU 45 1HB GLU 45 -2.786 -7.468 -5.286
179 2HB GLU 45 2HB GLU 45 -1.401 -6.878 -4.398
180 1HG GLU 45 1HG GLU 45 -3.260 -8.937 -3.162
181 2HG GLU 45 2HG GLU 45 -2.059 -9.415 -4.352
182 H ARG 46 H ARG 46 -1.470 -4.975 -2.402
183 HA ARG 46 HA ARG 46 -1.249 -6.515 -0.044
184 1HB ARG 46 1HB ARG 46 -0.316 -3.704 -0.716
185 2HB ARG 46 2HB ARG 46 0.255 -4.599 0.674
186 1HG ARG 46 1HG ARG 46 0.654 -5.668 -2.133
187 2HG ARG 46 2HG ARG 46 1.723 -4.451 -1.440
188 1HD ARG 46 1HD ARG 46 2.688 -6.652 -1.163
189 2HD ARG 46 2HD ARG 46 2.321 -5.944 0.406
190 HE ARG 46 HE ARG 46 0.683 -8.041 -1.007
191 1HH1 ARG 46 2HH2 ARG 46 1.501 -6.514 2.083
192 2HH1 ARG 46 1HH2 ARG 46 0.649 -7.739 2.978
193 1HH2 ARG 46 1HH1 ARG 46 -0.571 -9.305 0.165
194 2HH2 ARG 46 2HH1 ARG 46 -0.494 -9.326 1.920
195 H GLN 47 H GLN 47 -3.154 -3.624 -0.529
196 HA GLN 47 HA GLN 47 -3.324 -2.685 2.087
197 1HB GLN 47 1HB GLN 47 -5.323 -2.575 -0.191
198 2HB GLN 47 2HB GLN 47 -5.540 -1.675 1.311
199 1HG GLN 47 1HG GLN 47 -3.562 -0.357 0.936
200 2HG GLN 47 2HG GLN 47 -3.038 -1.393 -0.387
201 1HE2 GLN 47 2HE2 GLN 47 -2.934 0.516 -1.776
202 2HE2 GLN 47 1HE2 GLN 47 -4.436 1.164 -2.439
203 H ALA 48 H ALA 48 -4.891 -2.705 3.723
204 HA ALA 48 HA ALA 48 -5.648 -5.300 4.573
205 1HB ALA 48 1HB ALA 48 -6.471 -4.092 6.559
206 2HB ALA 48 2HB ALA 48 -4.898 -3.462 6.042
207 3HB ALA 48 3HB ALA 48 -6.385 -2.553 5.677
208 H GLY 49 H GLY 49 -7.531 -3.054 2.717
209 1HA GLY 49 2HA GLY 49 -10.171 -3.446 3.586
210 2HA GLY 49 1HA GLY 49 -9.849 -4.788 2.490
No H/Q in entry = 210
Start of MODEL 11
1 H1 ARG 23 2H ARG 23 -6.164 -6.951 4.986
2 H2 ARG 23 1H ARG 23 -7.453 -6.902 5.996
3 H3 ARG 23 3H ARG 23 -7.641 -7.434 4.449
4 HA ARG 23 HA ARG 23 -7.185 -5.303 3.542
5 1HB ARG 23 1HB ARG 23 -9.527 -5.769 4.197
6 2HB ARG 23 2HB ARG 23 -9.211 -5.155 5.815
7 1HG ARG 23 1HG ARG 23 -10.431 -3.505 4.587
8 2HG ARG 23 2HG ARG 23 -8.824 -2.887 4.892
9 1HD ARG 23 1HD ARG 23 -8.710 -4.176 2.328
10 2HD ARG 23 2HD ARG 23 -10.245 -3.304 2.376
11 HE ARG 23 HE ARG 23 -8.118 -1.623 3.356
12 1HH1 ARG 23 2HH1 ARG 23 -9.339 -2.765 0.272
13 2HH1 ARG 23 1HH1 ARG 23 -8.570 -1.449 -0.577
14 1HH2 ARG 23 1HH2 ARG 23 -7.134 -0.140 2.267
15 2HH2 ARG 23 2HH2 ARG 23 -7.251 -0.019 0.521
16 H ALA 24 H ALA 24 -6.176 -3.335 3.666
17 HA ALA 24 HA ALA 24 -5.070 -2.480 6.316
18 1HB ALA 24 1HB ALA 24 -3.910 -2.034 3.538
19 2HB ALA 24 2HB ALA 24 -3.170 -1.574 5.082
20 3HB ALA 24 3HB ALA 24 -3.376 -3.289 4.676
21 HA PRO 25 HA PRO 25 -7.672 0.962 5.829
22 1HB PRO 25 1HB PRO 25 -6.797 2.700 7.730
23 2HB PRO 25 2HB PRO 25 -7.383 1.058 8.135
24 1HG PRO 25 1HG PRO 25 -4.511 1.939 7.692
25 2HG PRO 25 2HG PRO 25 -5.178 1.076 9.120
26 1HD PRO 25 1HD PRO 25 -3.973 -0.267 7.089
27 2HD PRO 25 2HD PRO 25 -5.429 -0.928 7.896
28 H ARG 26 H ARG 26 -4.480 1.443 4.764
29 HA ARG 26 HA ARG 26 -3.252 2.972 3.670
30 1HB ARG 26 1HB ARG 26 -4.785 2.708 1.903
31 2HB ARG 26 2HB ARG 26 -5.972 3.770 2.645
32 1HG ARG 26 1HG ARG 26 -4.954 4.882 0.770
33 2HG ARG 26 2HG ARG 26 -4.580 5.723 2.257
34 1HD ARG 26 1HD ARG 26 -2.562 5.809 1.105
35 2HD ARG 26 2HD ARG 26 -2.298 4.480 2.214
36 HE ARG 26 HE ARG 26 -2.079 3.037 0.451
37 1HH1 ARG 26 2HH2 ARG 26 -3.571 5.944 -0.845
38 2HH1 ARG 26 1HH2 ARG 26 -3.232 5.493 -2.492
39 1HH2 ARG 26 2HH1 ARG 26 -1.663 2.544 -1.693
40 2HH2 ARG 26 1HH1 ARG 26 -2.178 3.638 -2.946
41 H ARG 27 H ARG 27 -5.746 4.689 5.559
42 HA ARG 27 HA ARG 27 -4.480 7.172 5.938
43 1HB ARG 27 1HB ARG 27 -6.740 6.567 6.713
44 2HB ARG 27 2HB ARG 27 -6.063 5.465 7.903
45 1HG ARG 27 1HG ARG 27 -6.846 7.456 8.976
46 2HG ARG 27 2HG ARG 27 -5.106 7.369 9.167
47 1HD ARG 27 1HD ARG 27 -6.464 9.047 7.010
48 2HD ARG 27 2HD ARG 27 -6.158 9.649 8.649
49 HE ARG 27 HE ARG 27 -3.697 8.664 7.743
50 1HH1 ARG 27 2HH1 ARG 27 -5.821 11.300 6.831
51 2HH1 ARG 27 1HH1 ARG 27 -4.510 12.242 6.173
52 1HH2 ARG 27 1HH2 ARG 27 -2.097 9.885 6.884
53 2HH2 ARG 27 2HH2 ARG 27 -2.442 11.454 6.210
54 H GLN 28 H GLN 28 -3.616 4.121 7.350
55 HA GLN 28 HA GLN 28 -1.678 4.754 9.293
56 1HB GLN 28 1HB GLN 28 -2.675 2.572 8.850
57 2HB GLN 28 2HB GLN 28 -1.943 2.519 7.242
58 1HG GLN 28 1HG GLN 28 0.314 2.360 8.341
59 2HG GLN 28 2HG GLN 28 -0.497 2.326 9.916
60 1HE2 GLN 28 1HE2 GLN 28 -1.371 0.285 10.586
61 2HE2 GLN 28 2HE2 GLN 28 -1.371 -1.120 9.533
62 H GLY 29 H GLY 29 -1.437 5.289 5.827
63 1HA GLY 29 2HA GLY 29 1.441 5.942 5.915
64 2HA GLY 29 1HA GLY 29 0.343 6.045 4.533
65 H CYS 30 H CYS 30 -0.694 3.368 4.721
66 HA CYS 30 HA CYS 30 -0.362 1.198 4.240
67 1HB CYS 30 1HB CYS 30 1.255 2.828 2.320
68 2HB CYS 30 2HB CYS 30 1.481 1.088 2.262
69 H TRP 31 H TRP 31 1.499 2.045 6.535
70 HA TRP 31 HA TRP 31 3.985 0.796 6.229
71 1HB TRP 31 1HB TRP 31 3.146 2.368 8.054
72 2HB TRP 31 2HB TRP 31 2.512 0.940 8.867
73 HD1 TRP 31 HD1 TRP 31 4.175 -0.197 10.464
74 HE1 TRP 31 HE1 TRP 31 6.697 -0.082 10.930
75 HE3 TRP 31 HE3 TRP 31 5.582 2.831 6.576
76 HZ2 TRP 31 HZ2 TRP 31 9.025 1.179 9.780
77 HZ3 TRP 31 HZ3 TRP 31 7.971 3.474 6.287
78 HH2 TRP 31 HH2 TRP 31 9.691 2.661 7.880
79 H LYS 32 H LYS 32 0.953 -0.800 7.161
80 HA LYS 32 HA LYS 32 2.276 -3.448 7.474
81 1HB LYS 32 1HB LYS 32 0.512 -2.647 9.026
82 2HB LYS 32 2HB LYS 32 -0.656 -2.631 7.710
83 1HG LYS 32 1HG LYS 32 0.849 -5.191 8.288
84 2HG LYS 32 2HG LYS 32 -0.354 -4.668 9.450
85 1HD LYS 32 1HD LYS 32 -0.955 -5.227 6.511
86 2HD LYS 32 2HD LYS 32 -1.234 -6.314 7.872
87 1HE LYS 32 1HE LYS 32 -2.645 -4.380 8.890
88 2HE LYS 32 2HE LYS 32 -2.605 -3.671 7.269
89 1HZ LYS 32 1HZ LYS 32 -3.607 -5.806 6.448
90 2HZ LYS 32 2HZ LYS 32 -3.691 -6.346 7.985
91 3HZ LYS 32 3HZ LYS 32 -4.575 -5.052 7.518
92 H CYS 33 H CYS 33 0.326 -1.706 5.128
93 HA CYS 33 HA CYS 33 -0.249 -3.806 3.272
94 1HB CYS 33 1HB CYS 33 -1.273 -1.589 3.223
95 2HB CYS 33 2HB CYS 33 0.299 -0.830 2.951
96 H GLY 34 H GLY 34 2.539 -1.556 3.496
97 1HA GLY 34 2HA GLY 34 4.240 -3.322 1.810
98 2HA GLY 34 1HA GLY 34 4.610 -3.227 3.532
99 H LYS 35 H LYS 35 3.807 -0.174 3.350
100 HA LYS 35 HA LYS 35 5.429 1.137 1.480
101 1HB LYS 35 1HB LYS 35 3.563 2.086 2.752
102 2HB LYS 35 2HB LYS 35 4.535 2.134 4.218
103 1HG LYS 35 1HG LYS 35 5.573 3.504 1.734
104 2HG LYS 35 2HG LYS 35 4.201 4.235 2.545
105 1HD LYS 35 1HD LYS 35 5.345 4.671 4.531
106 2HD LYS 35 2HD LYS 35 6.625 3.514 4.213
107 1HE LYS 35 1HE LYS 35 6.207 6.118 2.681
108 2HE LYS 35 2HE LYS 35 7.361 5.869 3.995
109 1HZ LYS 35 1HZ LYS 35 8.357 4.060 2.586
110 2HZ LYS 35 2HZ LYS 35 7.419 4.536 1.348
111 3HZ LYS 35 3HZ LYS 35 8.531 5.566 1.952
112 H THR 36 H THR 36 6.639 -0.563 4.153
113 HA THR 36 HA THR 36 9.219 0.613 4.528
114 HB THR 36 HB THR 36 9.883 -1.739 5.102
115 HG1 THR 36 HG1 THR 36 8.252 -3.288 5.093
116 1HG2 THR 36 1HG2 THR 36 8.861 -0.253 6.813
117 2HG2 THR 36 2HG2 THR 36 7.247 -0.851 6.370
118 3HG2 THR 36 3HG2 THR 36 8.449 -1.954 7.073
119 H GLY 37 H GLY 37 7.886 -1.109 1.753
120 1HA GLY 37 2HA GLY 37 10.177 -1.966 0.403
121 2HA GLY 37 1HA GLY 37 10.122 -0.227 0.133
122 H HIS 38 H HIS 38 6.882 -1.361 0.212
123 HA HIS 38 HA HIS 38 6.712 -2.505 -2.394
124 1HB HIS 38 1HB HIS 38 4.419 -2.632 -2.086
125 2HB HIS 38 2HB HIS 38 5.102 -2.854 -0.495
126 HD1 HIS 38 HD1 HIS 38 4.951 0.824 -1.104
127 HD2 HIS 38 HD2 HIS 38 2.289 -2.282 -0.133
128 HE1 HIS 38 HE1 HIS 38 2.868 1.938 -0.144
129 H VAL 39 H VAL 39 5.159 -1.678 -4.070
130 HA VAL 39 HA VAL 39 5.642 1.186 -4.794
131 HB VAL 39 HB VAL 39 6.019 -1.266 -6.575
132 1HG1 VAL 39 2HG1 VAL 39 6.423 1.695 -7.193
133 2HG1 VAL 39 3HG1 VAL 39 7.001 0.361 -8.210
134 3HG1 VAL 39 1HG1 VAL 39 5.280 0.576 -7.987
135 1HG2 VAL 39 1HG2 VAL 39 8.076 0.682 -5.442
136 2HG2 VAL 39 2HG2 VAL 39 7.922 -1.041 -5.034
137 3HG2 VAL 39 3HG2 VAL 39 8.410 -0.572 -6.656
138 H MET 40 H MET 40 4.094 1.978 -6.423
139 HA MET 40 HA MET 40 1.404 1.420 -5.899
140 1HB MET 40 1HB MET 40 0.895 2.855 -7.783
141 2HB MET 40 2HB MET 40 2.237 3.507 -6.848
142 1HG MET 40 1HG MET 40 3.836 2.592 -8.552
143 2HG MET 40 2HG MET 40 2.466 1.969 -9.469
144 1HE MET 40 1HE MET 40 4.594 5.047 -8.438
145 2HE MET 40 2HE MET 40 3.664 6.427 -9.060
146 3HE MET 40 3HE MET 40 3.070 5.527 -7.652
147 H ALA 41 H ALA 41 3.433 -0.446 -8.019
148 HA ALA 41 HA ALA 41 1.270 -1.740 -9.490
149 1HB ALA 41 2HB ALA 41 3.556 -1.459 -10.401
150 2HB ALA 41 3HB ALA 41 4.205 -2.483 -9.096
151 3HB ALA 41 1HB ALA 41 3.101 -3.169 -10.307
152 H LYS 42 H LYS 42 2.290 -2.016 -6.283
153 HA LYS 42 HA LYS 42 1.322 -4.840 -5.954
154 1HB LYS 42 1HB LYS 42 3.782 -4.652 -5.923
155 2HB LYS 42 2HB LYS 42 3.696 -3.413 -4.680
156 1HG LYS 42 1HG LYS 42 4.382 -5.539 -3.757
157 2HG LYS 42 2HG LYS 42 2.850 -5.035 -3.049
158 1HD LYS 42 1HD LYS 42 1.617 -6.665 -4.351
159 2HD LYS 42 2HD LYS 42 3.035 -7.015 -5.365
160 1HE LYS 42 1HE LYS 42 4.243 -7.939 -3.449
161 2HE LYS 42 2HE LYS 42 2.926 -7.502 -2.356
162 1HZ LYS 42 1HZ LYS 42 2.654 -9.436 -4.595
163 2HZ LYS 42 2HZ LYS 42 2.829 -9.851 -3.023
164 3HZ LYS 42 3HZ LYS 42 1.485 -9.060 -3.517
165 H CYS 43 H CYS 43 1.565 -1.612 -4.437
166 HA CYS 43 HA CYS 43 0.271 -2.099 -2.032
167 1HB CYS 43 1HB CYS 43 1.362 -0.019 -2.620
168 2HB CYS 43 2HB CYS 43 0.136 0.352 -3.829
169 HA PRO 44 HA PRO 44 -4.130 -1.548 -4.088
170 1HB PRO 44 1HB PRO 44 -3.539 -2.829 -6.756
171 2HB PRO 44 2HB PRO 44 -4.756 -1.580 -6.347
172 1HG PRO 44 1HG PRO 44 -2.447 -0.877 -7.566
173 2HG PRO 44 2HG PRO 44 -3.074 0.113 -6.206
174 1HD PRO 44 1HD PRO 44 -0.918 -2.009 -6.146
175 2HD PRO 44 2HD PRO 44 -0.923 -0.379 -5.414
176 H GLU 45 H GLU 45 -2.003 -4.306 -4.838
177 HA GLU 45 HA GLU 45 -4.069 -6.352 -4.361
178 1HB GLU 45 1HB GLU 45 -2.155 -6.672 -5.944
179 2HB GLU 45 2HB GLU 45 -1.040 -6.541 -4.591
180 1HG GLU 45 1HG GLU 45 -2.784 -8.561 -3.735
181 2HG GLU 45 2HG GLU 45 -2.723 -8.817 -5.471
182 H ARG 46 H ARG 46 -1.125 -5.159 -2.653
183 HA ARG 46 HA ARG 46 -1.417 -6.787 -0.328
184 1HB ARG 46 1HB ARG 46 0.079 -4.240 -0.996
185 2HB ARG 46 2HB ARG 46 0.019 -4.791 0.663
186 1HG ARG 46 1HG ARG 46 1.059 -6.436 -1.678
187 2HG ARG 46 2HG ARG 46 2.055 -5.550 -0.522
188 1HD ARG 46 1HD ARG 46 0.337 -7.997 0.018
189 2HD ARG 46 2HD ARG 46 2.087 -7.865 0.116
190 HE ARG 46 HE ARG 46 1.679 -6.167 1.987
191 1HH1 ARG 46 1HH1 ARG 46 -0.782 -8.680 1.527
192 2HH1 ARG 46 2HH1 ARG 46 -1.501 -8.224 3.079
193 1HH2 ARG 46 2HH2 ARG 46 0.727 -5.943 4.022
194 2HH2 ARG 46 1HH2 ARG 46 -0.750 -6.869 4.308
195 H GLN 47 H GLN 47 -2.889 -3.656 -1.003
196 HA GLN 47 HA GLN 47 -3.958 -3.073 1.525
197 1HB GLN 47 1HB GLN 47 -4.862 -2.590 -1.318
198 2HB GLN 47 2HB GLN 47 -5.940 -2.190 0.010
199 1HG GLN 47 1HG GLN 47 -4.262 -0.712 1.025
200 2HG GLN 47 2HG GLN 47 -3.103 -1.126 -0.238
201 1HE2 GLN 47 1HE2 GLN 47 -3.005 0.372 -1.882
202 2HE2 GLN 47 2HE2 GLN 47 -4.365 1.385 -2.377
203 H ALA 48 H ALA 48 -4.955 -5.748 -0.580
204 HA ALA 48 HA ALA 48 -7.503 -6.185 0.735
205 1HB ALA 48 1HB ALA 48 -6.967 -6.939 -1.575
206 2HB ALA 48 2HB ALA 48 -5.786 -8.091 -0.907
207 3HB ALA 48 3HB ALA 48 -7.510 -8.266 -0.531
208 H GLY 49 H GLY 49 -4.244 -6.853 1.725
209 1HA GLY 49 2HA GLY 49 -3.623 -8.980 2.914
210 2HA GLY 49 1HA GLY 49 -5.128 -8.848 3.807
No H/Q in entry = 210
Start of MODEL 12
1 H1 ARG 23 3H ARG 23 -10.201 0.813 -0.605
2 H2 ARG 23 2H ARG 23 -10.218 0.763 -2.244
3 H3 ARG 23 1H ARG 23 -9.852 -0.583 -1.353
4 HA ARG 23 HA ARG 23 -7.819 0.263 -0.607
5 1HB ARG 23 1HB ARG 23 -8.248 0.453 -3.605
6 2HB ARG 23 2HB ARG 23 -6.743 1.014 -2.899
7 1HG ARG 23 1HG ARG 23 -6.143 -1.098 -3.375
8 2HG ARG 23 2HG ARG 23 -6.624 -1.279 -1.694
9 1HD ARG 23 1HD ARG 23 -8.827 -2.230 -2.485
10 2HD ARG 23 2HD ARG 23 -8.273 -2.028 -4.146
11 HE ARG 23 HE ARG 23 -6.700 -3.770 -3.881
12 1HH1 ARG 23 2HH2 ARG 23 -8.318 -3.313 -0.760
13 2HH1 ARG 23 1HH2 ARG 23 -7.557 -4.781 -0.158
14 1HH2 ARG 23 1HH1 ARG 23 -5.792 -5.462 -2.956
15 2HH2 ARG 23 2HH1 ARG 23 -6.139 -5.878 -1.279
16 H ALA 24 H ALA 24 -6.765 1.854 0.247
17 HA ALA 24 HA ALA 24 -6.533 4.493 -0.846
18 1HB ALA 24 2HB ALA 24 -8.719 4.842 0.235
19 2HB ALA 24 1HB ALA 24 -7.462 5.714 1.126
20 3HB ALA 24 3HB ALA 24 -8.099 4.182 1.763
21 HA PRO 25 HA PRO 25 -2.927 3.430 1.736
22 1HB PRO 25 1HB PRO 25 -1.132 5.288 0.882
23 2HB PRO 25 2HB PRO 25 -1.674 3.933 -0.151
24 1HG PRO 25 1HG PRO 25 -2.691 6.788 -0.166
25 2HG PRO 25 2HG PRO 25 -2.193 5.777 -1.559
26 1HD PRO 25 1HD PRO 25 -4.815 6.048 -0.787
27 2HD PRO 25 2HD PRO 25 -4.178 4.535 -1.497
28 H ARG 26 H ARG 26 -4.223 6.741 1.624
29 HA ARG 26 HA ARG 26 -2.598 7.855 3.655
30 1HB ARG 26 1HB ARG 26 -3.892 9.819 3.417
31 2HB ARG 26 2HB ARG 26 -3.768 9.086 1.837
32 1HG ARG 26 1HG ARG 26 -5.998 9.018 1.606
33 2HG ARG 26 2HG ARG 26 -6.202 8.076 3.074
34 1HD ARG 26 1HD ARG 26 -6.016 11.112 2.895
35 2HD ARG 26 2HD ARG 26 -7.485 10.155 3.160
36 HE ARG 26 HE ARG 26 -5.446 9.609 5.168
37 1HH1 ARG 26 1HH1 ARG 26 -7.918 11.978 4.415
38 2HH1 ARG 26 2HH1 ARG 26 -8.060 12.476 6.081
39 1HH2 ARG 26 1HH2 ARG 26 -5.677 10.267 7.233
40 2HH2 ARG 26 2HH2 ARG 26 -6.813 11.524 7.640
41 H ARG 27 H ARG 27 -5.034 5.693 4.249
42 HA ARG 27 HA ARG 27 -5.746 6.633 6.974
43 1HB ARG 27 1HB ARG 27 -7.136 4.617 7.052
44 2HB ARG 27 2HB ARG 27 -7.439 5.544 5.582
45 1HG ARG 27 1HG ARG 27 -5.873 3.979 4.354
46 2HG ARG 27 2HG ARG 27 -5.782 2.984 5.812
47 1HD ARG 27 1HD ARG 27 -8.117 2.437 5.682
48 2HD ARG 27 2HD ARG 27 -8.405 3.679 4.440
49 HE ARG 27 HE ARG 27 -6.472 2.092 3.296
50 1HH1 ARG 27 2HH1 ARG 27 -9.811 1.504 4.303
51 2HH1 ARG 27 1HH1 ARG 27 -9.981 0.266 3.053
52 1HH2 ARG 27 1HH2 ARG 27 -6.831 0.367 1.887
53 2HH2 ARG 27 2HH2 ARG 27 -8.473 -0.294 1.844
54 H GLN 28 H GLN 28 -3.199 4.858 5.584
55 HA GLN 28 HA GLN 28 -2.305 3.806 8.245
56 1HB GLN 28 1HB GLN 28 -3.523 2.145 6.657
57 2HB GLN 28 2HB GLN 28 -2.119 2.303 5.606
58 1HG GLN 28 1HG GLN 28 -0.721 1.524 7.666
59 2HG GLN 28 2HG GLN 28 -2.268 1.141 8.418
60 1HE2 GLN 28 2HE2 GLN 28 -3.571 -0.625 7.391
61 2HE2 GLN 28 1HE2 GLN 28 -2.758 -1.741 6.306
62 H GLY 29 H GLY 29 -1.466 5.501 5.339
63 1HA GLY 29 2HA GLY 29 1.368 5.793 5.831
64 2HA GLY 29 1HA GLY 29 0.494 6.117 4.324
65 H CYS 30 H CYS 30 -0.625 3.407 4.171
66 HA CYS 30 HA CYS 30 -0.280 1.197 3.999
67 1HB CYS 30 1HB CYS 30 1.468 2.560 1.979
68 2HB CYS 30 2HB CYS 30 1.505 0.791 2.085
69 H TRP 31 H TRP 31 1.370 2.241 6.280
70 HA TRP 31 HA TRP 31 3.920 1.000 6.195
71 1HB TRP 31 1HB TRP 31 3.057 2.964 7.599
72 2HB TRP 31 2HB TRP 31 2.442 1.758 8.722
73 HD1 TRP 31 HD1 TRP 31 4.082 1.340 10.631
74 HE1 TRP 31 HE1 TRP 31 6.618 1.488 11.018
75 HE3 TRP 31 HE3 TRP 31 5.550 2.722 5.915
76 HZ2 TRP 31 HZ2 TRP 31 8.977 2.125 9.485
77 HZ3 TRP 31 HZ3 TRP 31 7.961 3.078 5.410
78 HH2 TRP 31 HH2 TRP 31 9.673 2.796 7.182
79 H LYS 32 H LYS 32 1.096 -0.700 6.375
80 HA LYS 32 HA LYS 32 2.600 -3.107 7.298
81 1HB LYS 32 1HB LYS 32 0.870 -2.182 9.024
82 2HB LYS 32 2HB LYS 32 -0.349 -2.683 7.865
83 1HG LYS 32 1HG LYS 32 -0.304 -4.478 9.272
84 2HG LYS 32 2HG LYS 32 0.789 -5.053 8.032
85 1HD LYS 32 1HD LYS 32 1.574 -3.857 10.740
86 2HD LYS 32 2HD LYS 32 1.512 -5.557 10.326
87 1HE LYS 32 1HE LYS 32 3.707 -5.350 10.039
88 2HE LYS 32 2HE LYS 32 3.252 -4.845 8.418
89 1HZ LYS 32 1HZ LYS 32 3.810 -2.999 10.699
90 2HZ LYS 32 2HZ LYS 32 4.871 -3.344 9.515
91 3HZ LYS 32 3HZ LYS 32 3.525 -2.511 9.158
92 H CYS 33 H CYS 33 0.206 -1.743 5.122
93 HA CYS 33 HA CYS 33 -0.244 -3.908 3.358
94 1HB CYS 33 1HB CYS 33 -1.359 -1.773 3.174
95 2HB CYS 33 2HB CYS 33 0.176 -0.917 3.006
96 H GLY 34 H GLY 34 2.532 -1.631 3.526
97 1HA GLY 34 2HA GLY 34 4.181 -3.375 1.760
98 2HA GLY 34 1HA GLY 34 4.593 -3.308 3.469
99 H LYS 35 H LYS 35 3.753 -0.164 3.083
100 HA LYS 35 HA LYS 35 5.701 0.856 1.265
101 1HB LYS 35 1HB LYS 35 3.531 1.927 2.335
102 2HB LYS 35 2HB LYS 35 4.661 2.535 3.530
103 1HG LYS 35 1HG LYS 35 5.987 3.228 1.212
104 2HG LYS 35 2HG LYS 35 4.367 3.125 0.577
105 1HD LYS 35 1HD LYS 35 4.914 5.419 1.183
106 2HD LYS 35 2HD LYS 35 3.585 4.825 2.167
107 1HE LYS 35 1HE LYS 35 5.168 6.158 3.494
108 2HE LYS 35 2HE LYS 35 5.069 4.505 4.088
109 1HZ LYS 35 2HZ LYS 35 7.234 5.531 2.322
110 2HZ LYS 35 3HZ LYS 35 7.377 5.311 3.930
111 3HZ LYS 35 1HZ LYS 35 7.167 4.016 2.950
112 H THR 36 H THR 36 6.578 -0.697 3.942
113 HA THR 36 HA THR 36 9.010 0.717 4.691
114 HB THR 36 HB THR 36 9.759 -1.606 5.304
115 HG1 THR 36 HG1 THR 36 8.219 -3.238 5.173
116 1HG2 THR 36 3HG2 THR 36 8.558 -0.202 6.960
117 2HG2 THR 36 1HG2 THR 36 7.003 -0.842 6.388
118 3HG2 THR 36 2HG2 THR 36 8.186 -1.919 7.163
119 H GLY 37 H GLY 37 7.923 -1.116 1.878
120 1HA GLY 37 2HA GLY 37 10.305 -1.806 0.611
121 2HA GLY 37 1HA GLY 37 10.144 -0.076 0.324
122 H HIS 38 H HIS 38 6.979 -1.424 0.309
123 HA HIS 38 HA HIS 38 6.953 -2.629 -2.254
124 1HB HIS 38 1HB HIS 38 4.658 -2.808 -2.063
125 2HB HIS 38 2HB HIS 38 5.245 -2.929 -0.427
126 HD1 HIS 38 HD1 HIS 38 4.960 0.708 -1.337
127 HD2 HIS 38 HD2 HIS 38 2.419 -2.441 -0.199
128 HE1 HIS 38 HE1 HIS 38 2.768 1.781 -0.592
129 H VAL 39 H VAL 39 5.646 -1.967 -4.111
130 HA VAL 39 HA VAL 39 5.956 0.920 -4.830
131 HB VAL 39 HB VAL 39 7.360 -0.621 -6.129
132 1HG1 VAL 39 2HG1 VAL 39 5.963 -2.656 -6.140
133 2HG1 VAL 39 3HG1 VAL 39 4.776 -1.846 -7.184
134 3HG1 VAL 39 1HG1 VAL 39 6.415 -2.162 -7.773
135 1HG2 VAL 39 3HG2 VAL 39 6.521 1.484 -7.140
136 2HG2 VAL 39 1HG2 VAL 39 6.845 0.209 -8.322
137 3HG2 VAL 39 2HG2 VAL 39 5.175 0.577 -7.873
138 H MET 40 H MET 40 4.214 1.939 -5.936
139 HA MET 40 HA MET 40 1.659 1.192 -4.905
140 1HB MET 40 1HB MET 40 2.295 3.275 -7.021
141 2HB MET 40 2HB MET 40 0.804 3.151 -6.086
142 1HG MET 40 1HG MET 40 3.572 3.861 -5.085
143 2HG MET 40 2HG MET 40 2.139 4.870 -5.099
144 1HE MET 40 3HE MET 40 0.066 4.562 -3.434
145 2HE MET 40 1HE MET 40 -0.122 2.839 -3.844
146 3HE MET 40 2HE MET 40 0.002 3.337 -2.147
147 H ALA 41 H ALA 41 3.138 -0.092 -7.669
148 HA ALA 41 HA ALA 41 0.632 -0.899 -8.989
149 1HB ALA 41 3HB ALA 41 2.703 -0.521 -10.279
150 2HB ALA 41 1HB ALA 41 3.515 -1.819 -9.371
151 3HB ALA 41 2HB ALA 41 2.140 -2.195 -10.428
152 H LYS 42 H LYS 42 2.586 -2.061 -6.346
153 HA LYS 42 HA LYS 42 1.329 -4.775 -6.328
154 1HB LYS 42 1HB LYS 42 3.762 -4.712 -6.144
155 2HB LYS 42 2HB LYS 42 3.681 -3.531 -4.847
156 1HG LYS 42 1HG LYS 42 4.248 -5.696 -3.956
157 2HG LYS 42 2HG LYS 42 2.713 -5.148 -3.319
158 1HD LYS 42 1HD LYS 42 2.593 -7.507 -3.748
159 2HD LYS 42 2HD LYS 42 1.525 -6.699 -4.899
160 1HE LYS 42 1HE LYS 42 3.171 -6.945 -6.687
161 2HE LYS 42 2HE LYS 42 4.379 -7.552 -5.545
162 1HZ LYS 42 1HZ LYS 42 1.823 -8.952 -6.185
163 2HZ LYS 42 2HZ LYS 42 3.300 -9.370 -6.759
164 3HZ LYS 42 3HZ LYS 42 2.964 -9.493 -5.164
165 H CYS 43 H CYS 43 1.487 -1.752 -4.480
166 HA CYS 43 HA CYS 43 0.170 -2.372 -2.160
167 1HB CYS 43 1HB CYS 43 1.174 -0.243 -2.702
168 2HB CYS 43 2HB CYS 43 -0.049 0.101 -3.916
169 HA PRO 44 HA PRO 44 -4.281 -2.128 -4.282
170 1HB PRO 44 1HB PRO 44 -3.412 -3.226 -6.962
171 2HB PRO 44 2HB PRO 44 -4.824 -2.191 -6.574
172 1HG PRO 44 1HG PRO 44 -2.589 -1.100 -7.639
173 2HG PRO 44 2HG PRO 44 -3.425 -0.277 -6.279
174 1HD PRO 44 1HD PRO 44 -0.954 -2.007 -6.199
175 2HD PRO 44 2HD PRO 44 -1.314 -0.470 -5.353
176 H GLU 45 H GLU 45 -1.837 -4.639 -4.698
177 HA GLU 45 HA GLU 45 -3.784 -6.871 -4.581
178 1HB GLU 45 1HB GLU 45 -1.561 -6.828 -5.886
179 2HB GLU 45 2HB GLU 45 -0.763 -6.896 -4.314
180 1HG GLU 45 1HG GLU 45 -2.160 -9.049 -3.908
181 2HG GLU 45 2HG GLU 45 -2.471 -9.007 -5.648
182 H ARG 46 H ARG 46 -1.496 -5.126 -2.493
183 HA ARG 46 HA ARG 46 -1.575 -7.128 -0.361
184 1HB ARG 46 1HB ARG 46 -0.191 -4.436 -0.628
185 2HB ARG 46 2HB ARG 46 0.056 -5.550 0.712
186 1HG ARG 46 1HG ARG 46 0.737 -6.165 -2.199
187 2HG ARG 46 2HG ARG 46 1.852 -5.568 -0.979
188 1HD ARG 46 1HD ARG 46 2.337 -7.788 -0.904
189 2HD ARG 46 2HD ARG 46 1.170 -7.674 0.403
190 HE ARG 46 HE ARG 46 0.629 -8.717 -2.390
191 1HH1 ARG 46 1HH2 ARG 46 -0.198 -8.950 1.029
192 2HH1 ARG 46 2HH2 ARG 46 -1.193 -10.351 0.738
193 1HH2 ARG 46 2HH1 ARG 46 -0.512 -10.399 -2.650
194 2HH2 ARG 46 1HH1 ARG 46 -1.397 -11.176 -1.335
195 H GLN 47 H GLN 47 -3.112 -3.959 -0.765
196 HA GLN 47 HA GLN 47 -3.674 -3.449 1.962
197 1HB GLN 47 1HB GLN 47 -5.155 -2.700 -0.578
198 2HB GLN 47 2HB GLN 47 -5.710 -2.195 1.022
199 1HG GLN 47 1HG GLN 47 -3.457 -1.128 1.420
200 2HG GLN 47 2HG GLN 47 -3.038 -1.514 -0.252
201 1HE2 GLN 47 1HE2 GLN 47 -3.016 0.525 -1.239
202 2HE2 GLN 47 2HE2 GLN 47 -4.382 1.625 -1.191
203 H ALA 48 H ALA 48 -5.393 -3.819 3.348
204 HA ALA 48 HA ALA 48 -6.724 -6.376 3.096
205 1HB ALA 48 2HB ALA 48 -7.483 -5.871 5.380
206 2HB ALA 48 3HB ALA 48 -5.754 -5.529 5.200
207 3HB ALA 48 1HB ALA 48 -6.930 -4.190 5.214
208 H GLY 49 H GLY 49 -7.728 -3.217 2.136
209 1HA GLY 49 2HA GLY 49 -10.529 -3.230 2.602
210 2HA GLY 49 1HA GLY 49 -10.250 -4.057 1.067
No H/Q in entry = 210
Start of MODEL 13
1 H1 ARG 23 2H ARG 23 -6.806 -0.313 1.490
2 H2 ARG 23 1H ARG 23 -7.251 -0.836 2.980
3 H3 ARG 23 3H ARG 23 -8.026 -1.408 1.655
4 HA ARG 23 HA ARG 23 -8.869 0.782 1.114
5 1HB ARG 23 1HB ARG 23 -10.648 0.828 2.712
6 2HB ARG 23 2HB ARG 23 -10.228 -0.851 2.421
7 1HG ARG 23 1HG ARG 23 -8.883 -0.796 4.610
8 2HG ARG 23 2HG ARG 23 -9.520 0.830 4.870
9 1HD ARG 23 1HD ARG 23 -10.911 -0.606 6.117
10 2HD ARG 23 2HD ARG 23 -11.850 -0.155 4.686
11 HE ARG 23 HE ARG 23 -10.334 -2.677 4.453
12 1HH1 ARG 23 2HH2 ARG 23 -13.435 -1.345 5.389
13 2HH1 ARG 23 1HH2 ARG 23 -14.221 -2.897 5.295
14 1HH2 ARG 23 1HH1 ARG 23 -11.366 -4.614 4.433
15 2HH2 ARG 23 2HH1 ARG 23 -13.083 -4.694 4.741
16 H ALA 24 H ALA 24 -9.422 2.946 2.069
17 HA ALA 24 HA ALA 24 -8.409 5.017 2.620
18 1HB ALA 24 2HB ALA 24 -10.332 4.386 3.978
19 2HB ALA 24 1HB ALA 24 -9.183 5.346 4.928
20 3HB ALA 24 3HB ALA 24 -9.269 3.585 5.159
21 HA PRO 25 HA PRO 25 -4.187 3.609 3.949
22 1HB PRO 25 1HB PRO 25 -2.649 5.249 2.342
23 2HB PRO 25 2HB PRO 25 -3.332 3.673 1.843
24 1HG PRO 25 1HG PRO 25 -4.469 6.437 1.345
25 2HG PRO 25 2HG PRO 25 -4.268 5.092 0.175
26 1HD PRO 25 1HD PRO 25 -6.649 5.581 1.374
27 2HD PRO 25 2HD PRO 25 -6.095 3.900 1.096
28 H ARG 26 H ARG 26 -5.602 6.811 3.945
29 HA ARG 26 HA ARG 26 -3.758 8.355 5.364
30 1HB ARG 26 1HB ARG 26 -5.852 9.159 4.351
31 2HB ARG 26 2HB ARG 26 -6.795 8.290 5.552
32 1HG ARG 26 1HG ARG 26 -6.794 10.631 6.038
33 2HG ARG 26 2HG ARG 26 -5.965 9.794 7.336
34 1HD ARG 26 1HD ARG 26 -4.466 11.132 5.041
35 2HD ARG 26 2HD ARG 26 -5.018 12.030 6.465
36 HE ARG 26 HE ARG 26 -3.564 9.741 7.350
37 1HH1 ARG 26 1HH2 ARG 26 -2.912 12.877 5.921
38 2HH1 ARG 26 2HH2 ARG 26 -1.318 12.956 6.622
39 1HH2 ARG 26 2HH1 ARG 26 -1.546 9.886 8.173
40 2HH2 ARG 26 1HH1 ARG 26 -0.563 11.292 7.870
41 H ARG 27 H ARG 27 -5.859 5.845 6.748
42 HA ARG 27 HA ARG 27 -4.925 6.510 9.493
43 1HB ARG 27 1HB ARG 27 -6.588 4.926 10.302
44 2HB ARG 27 2HB ARG 27 -7.251 6.187 9.292
45 1HG ARG 27 1HG ARG 27 -8.439 4.252 8.759
46 2HG ARG 27 2HG ARG 27 -7.413 4.573 7.391
47 1HD ARG 27 1HD ARG 27 -6.011 2.744 9.160
48 2HD ARG 27 2HD ARG 27 -7.678 2.207 9.030
49 HE ARG 27 HE ARG 27 -6.564 2.840 6.426
50 1HH1 ARG 27 2HH2 ARG 27 -6.650 0.203 8.801
51 2HH1 ARG 27 1HH2 ARG 27 -6.303 -0.974 7.531
52 1HH2 ARG 27 1HH1 ARG 27 -6.152 1.183 4.969
53 2HH2 ARG 27 2HH1 ARG 27 -6.053 -0.464 5.543
54 H GLN 28 H GLN 28 -3.428 4.906 7.162
55 HA GLN 28 HA GLN 28 -2.184 2.917 9.025
56 1HB GLN 28 1HB GLN 28 -3.892 1.886 7.599
57 2HB GLN 28 2HB GLN 28 -3.121 2.529 6.152
58 1HG GLN 28 1HG GLN 28 -2.655 0.169 6.388
59 2HG GLN 28 2HG GLN 28 -1.156 1.063 6.551
60 1HE2 GLN 28 1HE2 GLN 28 -0.258 1.309 8.801
61 2HE2 GLN 28 2HE2 GLN 28 -0.696 0.077 9.985
62 H GLY 29 H GLY 29 -1.632 5.259 6.450
63 1HA GLY 29 2HA GLY 29 1.178 5.478 6.784
64 2HA GLY 29 1HA GLY 29 0.240 5.994 5.374
65 H CYS 30 H CYS 30 -0.719 3.321 4.727
66 HA CYS 30 HA CYS 30 -0.285 1.223 4.101
67 1HB CYS 30 1HB CYS 30 1.523 2.977 2.482
68 2HB CYS 30 2HB CYS 30 1.719 1.234 2.312
69 H TRP 31 H TRP 31 1.366 1.990 6.636
70 HA TRP 31 HA TRP 31 3.854 0.674 6.415
71 1HB TRP 31 1HB TRP 31 2.494 2.092 8.401
72 2HB TRP 31 2HB TRP 31 2.732 0.514 9.123
73 HD1 TRP 31 HD1 TRP 31 5.516 -0.345 8.496
74 HE1 TRP 31 HE1 TRP 31 7.639 1.002 9.011
75 HE3 TRP 31 HE3 TRP 31 3.423 4.310 9.006
76 HZ2 TRP 31 HZ2 TRP 31 8.360 3.760 9.455
77 HZ3 TRP 31 HZ3 TRP 31 4.868 6.288 9.456
78 HH2 TRP 31 HH2 TRP 31 7.328 6.025 9.668
79 H LYS 32 H LYS 32 0.747 -0.727 7.400
80 HA LYS 32 HA LYS 32 1.771 -3.453 7.726
81 1HB LYS 32 1HB LYS 32 -0.229 -2.486 8.884
82 2HB LYS 32 2HB LYS 32 -1.063 -2.426 7.324
83 1HG LYS 32 1HG LYS 32 -0.959 -4.909 7.172
84 2HG LYS 32 2HG LYS 32 0.017 -4.946 8.644
85 1HD LYS 32 1HD LYS 32 -2.039 -5.497 9.478
86 2HD LYS 32 2HD LYS 32 -2.025 -3.773 9.791
87 1HE LYS 32 1HE LYS 32 -3.438 -5.211 7.487
88 2HE LYS 32 2HE LYS 32 -4.197 -4.609 8.959
89 1HZ LYS 32 2HZ LYS 32 -3.450 -2.334 8.255
90 2HZ LYS 32 3HZ LYS 32 -3.012 -2.968 6.807
91 3HZ LYS 32 1HZ LYS 32 -4.571 -3.002 7.255
92 H CYS 33 H CYS 33 0.296 -1.622 5.105
93 HA CYS 33 HA CYS 33 -0.267 -3.709 3.250
94 1HB CYS 33 1HB CYS 33 -1.259 -1.485 3.178
95 2HB CYS 33 2HB CYS 33 0.333 -0.735 2.979
96 H GLY 34 H GLY 34 2.591 -1.605 3.632
97 1HA GLY 34 2HA GLY 34 4.202 -3.263 1.746
98 2HA GLY 34 1HA GLY 34 4.654 -3.249 3.450
99 H LYS 35 H LYS 35 3.828 -0.184 3.413
100 HA LYS 35 HA LYS 35 5.265 1.306 1.590
101 1HB LYS 35 1HB LYS 35 3.665 2.145 3.211
102 2HB LYS 35 2HB LYS 35 4.789 1.917 4.534
103 1HG LYS 35 1HG LYS 35 5.541 3.677 2.175
104 2HG LYS 35 2HG LYS 35 4.361 4.269 3.318
105 1HD LYS 35 1HD LYS 35 7.232 3.504 3.992
106 2HD LYS 35 2HD LYS 35 6.590 5.123 3.838
107 1HE LYS 35 1HE LYS 35 5.803 3.077 5.965
108 2HE LYS 35 2HE LYS 35 6.889 4.446 6.183
109 1HZ LYS 35 2HZ LYS 35 5.000 5.919 5.622
110 2HZ LYS 35 3HZ LYS 35 3.990 4.622 5.551
111 3HZ LYS 35 1HZ LYS 35 4.716 5.029 6.963
112 H THR 36 H THR 36 6.728 -0.461 4.193
113 HA THR 36 HA THR 36 9.317 0.705 4.318
114 HB THR 36 HB THR 36 10.006 -1.568 5.113
115 HG1 THR 36 HG1 THR 36 8.381 -3.115 5.304
116 1HG2 THR 36 2HG2 THR 36 8.986 0.106 6.673
117 2HG2 THR 36 3HG2 THR 36 7.385 -0.598 6.352
118 3HG2 THR 36 1HG2 THR 36 8.647 -1.570 7.135
119 H GLY 37 H GLY 37 7.910 -1.127 1.686
120 1HA GLY 37 2HA GLY 37 10.130 -2.202 0.381
121 2HA GLY 37 1HA GLY 37 10.224 -0.474 0.055
122 H HIS 38 H HIS 38 6.903 -1.389 0.153
123 HA HIS 38 HA HIS 38 6.686 -2.544 -2.456
124 1HB HIS 38 1HB HIS 38 4.394 -2.593 -2.120
125 2HB HIS 38 2HB HIS 38 5.082 -2.831 -0.534
126 HD1 HIS 38 HD1 HIS 38 5.096 0.844 -1.111
127 HD2 HIS 38 HD2 HIS 38 2.277 -2.141 -0.208
128 HE1 HIS 38 HE1 HIS 38 3.045 2.048 -0.189
129 H VAL 39 H VAL 39 5.100 -1.634 -4.083
130 HA VAL 39 HA VAL 39 5.524 1.252 -4.724
131 HB VAL 39 HB VAL 39 5.861 -1.082 -6.664
132 1HG1 VAL 39 2HG1 VAL 39 6.234 1.919 -7.079
133 2HG1 VAL 39 3HG1 VAL 39 6.746 0.665 -8.225
134 3HG1 VAL 39 1HG1 VAL 39 5.040 0.868 -7.889
135 1HG2 VAL 39 2HG2 VAL 39 7.960 0.792 -5.487
136 2HG2 VAL 39 3HG2 VAL 39 7.833 -0.959 -5.207
137 3HG2 VAL 39 1HG2 VAL 39 8.243 -0.363 -6.809
138 H MET 40 H MET 40 3.836 2.060 -6.236
139 HA MET 40 HA MET 40 1.205 1.267 -5.552
140 1HB MET 40 1HB MET 40 2.190 2.896 -7.922
141 2HB MET 40 2HB MET 40 0.500 2.763 -7.413
142 1HG MET 40 1HG MET 40 1.140 3.637 -5.160
143 2HG MET 40 2HG MET 40 2.770 3.936 -5.761
144 1HE MET 40 3HE MET 40 3.410 5.755 -7.546
145 2HE MET 40 1HE MET 40 2.273 5.096 -8.747
146 3HE MET 40 2HE MET 40 2.244 6.825 -8.354
147 H ALA 41 H ALA 41 3.242 -0.206 -7.945
148 HA ALA 41 HA ALA 41 1.113 -1.545 -9.424
149 1HB ALA 41 2HB ALA 41 3.334 -1.030 -10.395
150 2HB ALA 41 3HB ALA 41 4.107 -2.100 -9.200
151 3HB ALA 41 1HB ALA 41 3.003 -2.770 -10.420
152 H LYS 42 H LYS 42 2.275 -1.988 -6.285
153 HA LYS 42 HA LYS 42 1.565 -4.899 -6.166
154 1HB LYS 42 1HB LYS 42 4.073 -4.165 -6.191
155 2HB LYS 42 2HB LYS 42 3.771 -3.507 -4.591
156 1HG LYS 42 1HG LYS 42 4.779 -5.653 -4.342
157 2HG LYS 42 2HG LYS 42 3.093 -5.817 -3.834
158 1HD LYS 42 1HD LYS 42 2.514 -6.868 -5.975
159 2HD LYS 42 2HD LYS 42 4.140 -6.570 -6.613
160 1HE LYS 42 1HE LYS 42 5.144 -8.119 -5.086
161 2HE LYS 42 2HE LYS 42 3.681 -8.198 -4.094
162 1HZ LYS 42 3HZ LYS 42 3.832 -9.216 -6.874
163 2HZ LYS 42 1HZ LYS 42 3.880 -10.146 -5.528
164 3HZ LYS 42 2HZ LYS 42 2.528 -9.294 -5.872
165 H CYS 43 H CYS 43 1.648 -1.834 -4.424
166 HA CYS 43 HA CYS 43 0.427 -2.347 -2.016
167 1HB CYS 43 1HB CYS 43 1.367 -0.240 -2.809
168 2HB CYS 43 2HB CYS 43 0.065 -0.047 -3.979
169 HA PRO 44 HA PRO 44 -4.031 -2.312 -4.161
170 1HB PRO 44 1HB PRO 44 -3.176 -3.940 -6.559
171 2HB PRO 44 2HB PRO 44 -4.584 -2.843 -6.383
172 1HG PRO 44 1HG PRO 44 -2.359 -1.953 -7.616
173 2HG PRO 44 2HG PRO 44 -3.159 -0.907 -6.394
174 1HD PRO 44 1HD PRO 44 -0.747 -2.689 -6.065
175 2HD PRO 44 2HD PRO 44 -0.994 -1.011 -5.495
176 H GLU 45 H GLU 45 -1.707 -5.022 -4.121
177 HA GLU 45 HA GLU 45 -3.594 -7.181 -3.996
178 1HB GLU 45 1HB GLU 45 -0.832 -6.957 -2.782
179 2HB GLU 45 2HB GLU 45 -1.710 -8.462 -3.018
180 1HG GLU 45 1HG GLU 45 -1.612 -8.200 -5.445
181 2HG GLU 45 2HG GLU 45 -0.771 -6.654 -5.282
182 H ARG 46 H ARG 46 -2.601 -4.905 -1.540
183 HA ARG 46 HA ARG 46 -3.392 -6.725 0.697
184 1HB ARG 46 1HB ARG 46 -1.786 -4.154 0.848
185 2HB ARG 46 2HB ARG 46 -1.986 -5.377 2.095
186 1HG ARG 46 1HG ARG 46 0.037 -6.087 1.387
187 2HG ARG 46 2HG ARG 46 -0.907 -6.953 0.181
188 1HD ARG 46 1HD ARG 46 -0.591 -4.812 -1.293
189 2HD ARG 46 2HD ARG 46 0.642 -4.339 -0.138
190 HE ARG 46 HE ARG 46 0.820 -6.327 -2.229
191 1HH1 ARG 46 2HH2 ARG 46 2.291 -5.569 0.873
192 2HH1 ARG 46 1HH2 ARG 46 3.563 -6.743 0.619
193 1HH2 ARG 46 2HH1 ARG 46 2.275 -7.832 -2.407
194 2HH2 ARG 46 1HH1 ARG 46 3.584 -7.998 -1.236
195 H GLN 47 H GLN 47 -5.000 -4.568 -1.042
196 HA GLN 47 HA GLN 47 -5.870 -2.657 0.895
197 1HB GLN 47 1HB GLN 47 -6.973 -3.373 -1.857
198 2HB GLN 47 2HB GLN 47 -7.479 -1.966 -0.920
199 1HG GLN 47 1HG GLN 47 -4.691 -2.513 -1.990
200 2HG GLN 47 2HG GLN 47 -5.808 -1.276 -2.552
201 1HE2 GLN 47 1HE2 GLN 47 -2.980 -1.406 -1.030
202 2HE2 GLN 47 2HE2 GLN 47 -3.217 -0.159 0.181
203 H ALA 48 H ALA 48 -6.790 -5.830 0.940
204 HA ALA 48 HA ALA 48 -9.545 -5.697 1.651
205 1HB ALA 48 2HB ALA 48 -9.070 -7.830 2.794
206 2HB ALA 48 3HB ALA 48 -8.311 -7.781 1.192
207 3HB ALA 48 1HB ALA 48 -7.324 -7.533 2.653
208 H GLY 49 H GLY 49 -6.743 -4.515 3.411
209 1HA GLY 49 2HA GLY 49 -7.063 -4.597 6.040
210 2HA GLY 49 1HA GLY 49 -8.467 -3.601 5.668
No H/Q in entry = 210
Start of MODEL 14
1 H1 ARG 23 1H ARG 23 -2.766 -0.695 -0.500
2 H2 ARG 23 3H ARG 23 -3.207 -2.264 -0.593
3 H3 ARG 23 2H ARG 23 -3.995 -1.135 -1.473
4 HA ARG 23 HA ARG 23 -5.402 -1.702 0.374
5 1HB ARG 23 1HB ARG 23 -3.343 -2.429 1.726
6 2HB ARG 23 2HB ARG 23 -3.162 -0.735 2.191
7 1HG ARG 23 1HG ARG 23 -5.410 -0.786 3.253
8 2HG ARG 23 2HG ARG 23 -5.625 -2.465 2.736
9 1HD ARG 23 1HD ARG 23 -3.525 -1.408 4.671
10 2HD ARG 23 2HD ARG 23 -4.963 -2.354 5.087
11 HE ARG 23 HE ARG 23 -3.183 -3.673 3.163
12 1HH1 ARG 23 1HH2 ARG 23 -3.717 -3.425 6.679
13 2HH1 ARG 23 2HH2 ARG 23 -2.967 -5.027 6.851
14 1HH2 ARG 23 1HH1 ARG 23 -2.293 -5.536 3.617
15 2HH2 ARG 23 2HH1 ARG 23 -2.172 -6.060 5.311
16 H ALA 24 H ALA 24 -6.784 -0.047 1.296
17 HA ALA 24 HA ALA 24 -6.604 2.615 0.326
18 1HB ALA 24 2HB ALA 24 -8.065 1.486 2.746
19 2HB ALA 24 1HB ALA 24 -8.679 1.581 1.081
20 3HB ALA 24 3HB ALA 24 -8.364 3.067 1.993
21 HA PRO 25 HA PRO 25 -3.078 3.671 2.986
22 1HB PRO 25 1HB PRO 25 -3.603 6.457 1.958
23 2HB PRO 25 2HB PRO 25 -2.055 5.563 2.069
24 1HG PRO 25 1HG PRO 25 -3.319 5.812 -0.314
25 2HG PRO 25 2HG PRO 25 -2.599 4.237 0.159
26 1HD PRO 25 1HD PRO 25 -5.495 5.106 0.353
27 2HD PRO 25 2HD PRO 25 -4.811 3.588 -0.290
28 H ARG 26 H ARG 26 -6.042 5.605 2.957
29 HA ARG 26 HA ARG 26 -5.642 7.144 5.275
30 1HB ARG 26 1HB ARG 26 -7.880 7.843 5.020
31 2HB ARG 26 2HB ARG 26 -7.256 7.571 3.415
32 1HG ARG 26 1HG ARG 26 -8.897 6.115 2.930
33 2HG ARG 26 2HG ARG 26 -8.507 5.093 4.303
34 1HD ARG 26 1HD ARG 26 -10.323 7.538 4.328
35 2HD ARG 26 2HD ARG 26 -10.830 5.839 4.406
36 HE ARG 26 HE ARG 26 -9.000 6.409 6.551
37 1HH1 ARG 26 1HH2 ARG 26 -12.329 7.126 5.728
38 2HH1 ARG 26 2HH2 ARG 26 -12.769 7.377 7.397
39 1HH2 ARG 26 2HH1 ARG 26 -9.604 6.719 8.606
40 2HH2 ARG 26 1HH1 ARG 26 -11.248 7.142 8.997
41 H ARG 27 H ARG 27 -6.013 3.852 5.434
42 HA ARG 27 HA ARG 27 -6.823 4.037 8.315
43 1HB ARG 27 1HB ARG 27 -8.119 2.040 8.195
44 2HB ARG 27 2HB ARG 27 -8.665 3.148 6.962
45 1HG ARG 27 1HG ARG 27 -8.714 1.208 5.767
46 2HG ARG 27 2HG ARG 27 -7.113 1.776 5.346
47 1HD ARG 27 1HD ARG 27 -6.964 -0.557 5.740
48 2HD ARG 27 2HD ARG 27 -6.166 0.186 7.103
49 HE ARG 27 HE ARG 27 -8.845 -1.136 7.054
50 1HH1 ARG 27 1HH2 ARG 27 -6.389 0.283 9.156
51 2HH1 ARG 27 2HH2 ARG 27 -7.012 -0.564 10.545
52 1HH2 ARG 27 2HH1 ARG 27 -9.583 -2.100 8.885
53 2HH2 ARG 27 1HH1 ARG 27 -8.776 -1.832 10.400
54 H GLN 28 H GLN 28 -4.188 3.592 6.548
55 HA GLN 28 HA GLN 28 -2.980 1.732 8.535
56 1HB GLN 28 1HB GLN 28 -3.933 0.636 6.259
57 2HB GLN 28 2HB GLN 28 -2.431 1.256 5.602
58 1HG GLN 28 1HG GLN 28 -1.913 -0.947 6.242
59 2HG GLN 28 2HG GLN 28 -1.264 -0.004 7.576
60 1HE2 GLN 28 1HE2 GLN 28 -2.079 -0.495 9.693
61 2HE2 GLN 28 2HE2 GLN 28 -3.412 -1.612 9.930
62 H GLY 29 H GLY 29 -2.558 4.457 6.395
63 1HA GLY 29 2HA GLY 29 0.079 5.196 7.145
64 2HA GLY 29 1HA GLY 29 -0.766 5.659 5.659
65 H CYS 30 H CYS 30 -1.080 2.947 4.700
66 HA CYS 30 HA CYS 30 -0.235 1.014 4.071
67 1HB CYS 30 1HB CYS 30 1.457 3.095 2.719
68 2HB CYS 30 2HB CYS 30 1.796 1.387 2.423
69 H TRP 31 H TRP 31 1.160 1.945 6.738
70 HA TRP 31 HA TRP 31 3.795 0.912 6.646
71 1HB TRP 31 1HB TRP 31 2.085 2.111 8.582
72 2HB TRP 31 2HB TRP 31 2.659 0.622 9.302
73 HD1 TRP 31 HD1 TRP 31 5.536 0.346 8.781
74 HE1 TRP 31 HE1 TRP 31 7.337 2.097 9.318
75 HE3 TRP 31 HE3 TRP 31 2.559 4.512 9.070
76 HZ2 TRP 31 HZ2 TRP 31 7.480 4.945 9.743
77 HZ3 TRP 31 HZ3 TRP 31 3.565 6.739 9.549
78 HH2 TRP 31 HH2 TRP 31 6.017 6.967 9.873
79 H LYS 32 H LYS 32 0.814 -0.817 7.161
80 HA LYS 32 HA LYS 32 2.247 -3.428 7.468
81 1HB LYS 32 1HB LYS 32 0.543 -2.843 9.158
82 2HB LYS 32 2HB LYS 32 -0.638 -2.595 7.885
83 1HG LYS 32 1HG LYS 32 -1.239 -4.594 8.799
84 2HG LYS 32 2HG LYS 32 -0.447 -5.059 7.316
85 1HD LYS 32 1HD LYS 32 0.807 -5.141 10.100
86 2HD LYS 32 2HD LYS 32 -0.004 -6.495 9.336
87 1HE LYS 32 1HE LYS 32 2.604 -5.222 8.428
88 2HE LYS 32 2HE LYS 32 2.381 -6.779 9.220
89 1HZ LYS 32 2HZ LYS 32 0.942 -7.368 7.193
90 2HZ LYS 32 3HZ LYS 32 1.558 -6.044 6.483
91 3HZ LYS 32 1HZ LYS 32 2.564 -7.255 6.933
92 H CYS 33 H CYS 33 0.375 -1.593 5.176
93 HA CYS 33 HA CYS 33 -0.317 -3.621 3.278
94 1HB CYS 33 1HB CYS 33 -1.166 -1.281 3.343
95 2HB CYS 33 2HB CYS 33 0.463 -0.697 2.940
96 H GLY 34 H GLY 34 2.555 -1.478 3.545
97 1HA GLY 34 2HA GLY 34 4.157 -3.232 1.753
98 2HA GLY 34 1HA GLY 34 4.594 -3.199 3.460
99 H LYS 35 H LYS 35 3.906 -0.147 3.490
100 HA LYS 35 HA LYS 35 5.327 1.317 1.611
101 1HB LYS 35 1HB LYS 35 3.783 2.164 3.368
102 2HB LYS 35 2HB LYS 35 5.062 1.959 4.569
103 1HG LYS 35 1HG LYS 35 6.437 3.657 3.382
104 2HG LYS 35 2HG LYS 35 5.234 3.734 2.084
105 1HD LYS 35 1HD LYS 35 4.945 5.648 3.512
106 2HD LYS 35 2HD LYS 35 3.559 4.573 3.727
107 1HE LYS 35 1HE LYS 35 4.732 3.630 5.790
108 2HE LYS 35 2HE LYS 35 5.977 4.870 5.580
109 1HZ LYS 35 2HZ LYS 35 4.181 6.542 5.808
110 2HZ LYS 35 3HZ LYS 35 3.087 5.332 6.036
111 3HZ LYS 35 1HZ LYS 35 4.274 5.590 7.140
112 H THR 36 H THR 36 6.801 -0.576 4.103
113 HA THR 36 HA THR 36 9.432 0.517 4.202
114 HB THR 36 HB THR 36 10.069 -1.807 4.891
115 HG1 THR 36 HG1 THR 36 8.402 -3.307 5.081
116 1HG2 THR 36 1HG2 THR 36 9.168 -0.161 6.548
117 2HG2 THR 36 2HG2 THR 36 7.531 -0.791 6.259
118 3HG2 THR 36 3HG2 THR 36 8.782 -1.840 6.958
119 H GLY 37 H GLY 37 7.874 -1.185 1.565
120 1HA GLY 37 2HA GLY 37 10.028 -2.322 0.192
121 2HA GLY 37 1HA GLY 37 10.148 -0.596 -0.138
122 H HIS 38 H HIS 38 6.818 -1.536 0.078
123 HA HIS 38 HA HIS 38 6.486 -2.535 -2.591
124 1HB HIS 38 1HB HIS 38 4.216 -2.585 -2.167
125 2HB HIS 38 2HB HIS 38 4.944 -2.899 -0.612
126 HD1 HIS 38 HD1 HIS 38 5.012 0.787 -0.990
127 HD2 HIS 38 HD2 HIS 38 2.135 -2.182 -0.218
128 HE1 HIS 38 HE1 HIS 38 3.001 1.981 0.028
129 H VAL 39 H VAL 39 4.863 -1.443 -4.121
130 HA VAL 39 HA VAL 39 5.204 1.472 -4.409
131 HB VAL 39 HB VAL 39 7.110 -0.035 -5.522
132 1HG1 VAL 39 1HG1 VAL 39 5.480 -1.377 -6.905
133 2HG1 VAL 39 2HG1 VAL 39 5.209 0.106 -7.871
134 3HG1 VAL 39 3HG1 VAL 39 6.816 -0.615 -7.781
135 1HG2 VAL 39 1HG2 VAL 39 5.886 2.407 -6.818
136 2HG2 VAL 39 2HG2 VAL 39 7.129 2.347 -5.557
137 3HG2 VAL 39 3HG2 VAL 39 7.489 1.731 -7.177
138 H MET 40 H MET 40 3.905 2.158 -6.556
139 HA MET 40 HA MET 40 1.209 1.521 -6.099
140 1HB MET 40 1HB MET 40 0.669 2.860 -7.966
141 2HB MET 40 2HB MET 40 2.054 3.601 -7.176
142 1HG MET 40 1HG MET 40 2.177 1.879 -9.695
143 2HG MET 40 2HG MET 40 2.122 3.633 -9.671
144 1HE MET 40 1HE MET 40 4.213 3.498 -11.356
145 2HE MET 40 2HE MET 40 5.764 2.743 -10.927
146 3HE MET 40 3HE MET 40 4.327 1.729 -11.180
147 H ALA 41 H ALA 41 3.419 -0.346 -7.952
148 HA ALA 41 HA ALA 41 1.300 -1.910 -9.310
149 1HB ALA 41 1HB ALA 41 3.283 -1.125 -10.579
150 2HB ALA 41 2HB ALA 41 4.343 -2.046 -9.485
151 3HB ALA 41 3HB ALA 41 3.183 -2.893 -10.530
152 H LYS 42 H LYS 42 2.172 -1.952 -6.246
153 HA LYS 42 HA LYS 42 1.737 -4.872 -5.972
154 1HB LYS 42 1HB LYS 42 4.235 -4.420 -5.973
155 2HB LYS 42 2HB LYS 42 4.010 -3.397 -4.566
156 1HG LYS 42 1HG LYS 42 4.855 -5.613 -3.968
157 2HG LYS 42 2HG LYS 42 3.303 -5.293 -3.216
158 1HD LYS 42 1HD LYS 42 3.485 -7.592 -3.968
159 2HD LYS 42 2HD LYS 42 2.166 -6.798 -4.799
160 1HE LYS 42 1HE LYS 42 4.915 -6.941 -6.099
161 2HE LYS 42 2HE LYS 42 3.902 -8.383 -6.038
162 1HZ LYS 42 2HZ LYS 42 2.123 -7.099 -7.152
163 2HZ LYS 42 3HZ LYS 42 3.131 -5.841 -7.378
164 3HZ LYS 42 1HZ LYS 42 3.458 -7.275 -8.082
165 H CYS 43 H CYS 43 1.647 -1.688 -4.438
166 HA CYS 43 HA CYS 43 0.347 -2.330 -2.045
167 1HB CYS 43 1HB CYS 43 1.248 -0.135 -2.697
168 2HB CYS 43 2HB CYS 43 -0.040 0.068 -3.885
169 HA PRO 44 HA PRO 44 -3.936 -2.140 -4.447
170 1HB PRO 44 1HB PRO 44 -3.070 -3.691 -6.889
171 2HB PRO 44 2HB PRO 44 -4.399 -2.504 -6.717
172 1HG PRO 44 1HG PRO 44 -2.051 -1.745 -7.816
173 2HG PRO 44 2HG PRO 44 -2.851 -0.680 -6.612
174 1HD PRO 44 1HD PRO 44 -0.566 -2.608 -6.197
175 2HD PRO 44 2HD PRO 44 -0.749 -0.934 -5.600
176 H GLU 45 H GLU 45 -1.816 -5.029 -4.880
177 HA GLU 45 HA GLU 45 -3.927 -6.924 -4.298
178 1HB GLU 45 1HB GLU 45 -0.911 -7.331 -4.112
179 2HB GLU 45 2HB GLU 45 -2.155 -8.571 -4.215
180 1HG GLU 45 1HG GLU 45 -1.624 -8.586 -6.395
181 2HG GLU 45 2HG GLU 45 -2.766 -7.253 -6.494
182 H ARG 46 H ARG 46 -1.871 -5.063 -2.210
183 HA ARG 46 HA ARG 46 -1.757 -6.973 -0.006
184 1HB ARG 46 1HB ARG 46 -0.722 -4.166 -0.529
185 2HB ARG 46 2HB ARG 46 -0.509 -4.913 1.037
186 1HG ARG 46 1HG ARG 46 0.496 -6.096 -1.591
187 2HG ARG 46 2HG ARG 46 1.463 -5.151 -0.462
188 1HD ARG 46 1HD ARG 46 0.228 -7.889 0.018
189 2HD ARG 46 2HD ARG 46 1.937 -7.495 -0.129
190 HE ARG 46 HE ARG 46 1.592 -6.026 1.937
191 1HH1 ARG 46 2HH2 ARG 46 -0.360 -8.934 1.594
192 2HH1 ARG 46 1HH2 ARG 46 -1.054 -8.704 3.183
193 1HH2 ARG 46 1HH1 ARG 46 0.897 -6.029 4.022
194 2HH2 ARG 46 2HH1 ARG 46 -0.049 -7.380 4.622
195 H GLN 47 H GLN 47 -4.448 -6.216 -0.594
196 HA GLN 47 HA GLN 47 -5.514 -4.236 1.159
197 1HB GLN 47 1HB GLN 47 -6.861 -6.715 0.022
198 2HB GLN 47 2HB GLN 47 -7.693 -5.319 0.697
199 1HG GLN 47 1HG GLN 47 -5.962 -5.324 -1.806
200 2HG GLN 47 2HG GLN 47 -7.713 -5.309 -1.764
201 1HE2 GLN 47 2HE2 GLN 47 -5.954 -3.361 -3.034
202 2HE2 GLN 47 1HE2 GLN 47 -6.514 -1.826 -2.360
203 H ALA 48 H ALA 48 -4.483 -7.468 1.985
204 HA ALA 48 HA ALA 48 -5.649 -7.204 4.716
205 1HB ALA 48 2HB ALA 48 -6.411 -9.546 4.588
206 2HB ALA 48 3HB ALA 48 -7.182 -8.567 3.328
207 3HB ALA 48 1HB ALA 48 -5.839 -9.656 2.909
208 H GLY 49 H GLY 49 -4.737 -8.849 6.230
209 1HA GLY 49 2HA GLY 49 -2.069 -9.920 5.992
210 2HA GLY 49 1HA GLY 49 -2.886 -9.453 7.491
No H/Q in entry = 210
Start of MODEL 15
1 H1 ARG 23 2H ARG 23 -6.662 -0.304 -0.686
2 H2 ARG 23 1H ARG 23 -7.896 -1.258 -1.144
3 H3 ARG 23 3H ARG 23 -6.619 -1.029 -2.151
4 HA ARG 23 HA ARG 23 -7.886 0.498 -3.154
5 1HB ARG 23 1HB ARG 23 -9.486 0.637 -0.574
6 2HB ARG 23 2HB ARG 23 -9.802 1.653 -1.992
7 1HG ARG 23 1HG ARG 23 -10.135 -0.318 -3.406
8 2HG ARG 23 2HG ARG 23 -9.820 -1.403 -2.046
9 1HD ARG 23 1HD ARG 23 -12.081 0.637 -2.102
10 2HD ARG 23 2HD ARG 23 -12.240 -1.053 -2.612
11 HE ARG 23 HE ARG 23 -11.121 -0.989 0.031
12 1HH1 ARG 23 1HH1 ARG 23 -14.240 -0.495 -1.507
13 2HH1 ARG 23 2HH1 ARG 23 -15.092 -0.998 -0.070
14 1HH2 ARG 23 2HH2 ARG 23 -12.173 -1.574 1.699
15 2HH2 ARG 23 1HH2 ARG 23 -13.938 -1.604 1.762
16 H ALA 24 H ALA 24 -8.390 2.641 -0.446
17 HA ALA 24 HA ALA 24 -6.363 4.439 -1.544
18 1HB ALA 24 2HB ALA 24 -8.375 4.770 0.721
19 2HB ALA 24 1HB ALA 24 -8.622 5.220 -0.982
20 3HB ALA 24 3HB ALA 24 -7.402 6.063 -0.010
21 HA PRO 25 HA PRO 25 -3.369 3.216 1.558
22 1HB PRO 25 1HB PRO 25 -1.327 4.943 1.051
23 2HB PRO 25 2HB PRO 25 -1.851 3.700 -0.125
24 1HG PRO 25 1HG PRO 25 -2.642 6.627 -0.077
25 2HG PRO 25 2HG PRO 25 -2.006 5.670 -1.454
26 1HD PRO 25 1HD PRO 25 -4.683 6.060 -1.085
27 2HD PRO 25 2HD PRO 25 -4.036 4.518 -1.723
28 H ARG 26 H ARG 26 -4.425 6.610 1.568
29 HA ARG 26 HA ARG 26 -2.844 7.645 3.591
30 1HB ARG 26 1HB ARG 26 -4.222 8.943 2.020
31 2HB ARG 26 2HB ARG 26 -5.689 8.415 2.833
32 1HG ARG 26 1HG ARG 26 -5.174 10.689 3.410
33 2HG ARG 26 2HG ARG 26 -5.066 9.701 4.854
34 1HD ARG 26 1HD ARG 26 -2.618 10.474 3.207
35 2HD ARG 26 2HD ARG 26 -3.294 11.527 4.460
36 HE ARG 26 HE ARG 26 -2.932 8.991 5.647
37 1HH1 ARG 26 1HH1 ARG 26 -0.866 11.553 4.441
38 2HH1 ARG 26 2HH1 ARG 26 0.437 11.120 5.516
39 1HH2 ARG 26 1HH2 ARG 26 -1.269 8.499 6.968
40 2HH2 ARG 26 2HH2 ARG 26 0.207 9.424 6.921
41 H ARG 27 H ARG 27 -5.937 6.029 4.092
42 HA ARG 27 HA ARG 27 -6.294 6.445 6.886
43 1HB ARG 27 1HB ARG 27 -7.870 4.581 6.750
44 2HB ARG 27 2HB ARG 27 -8.018 5.608 5.319
45 1HG ARG 27 1HG ARG 27 -6.440 3.986 4.128
46 2HG ARG 27 2HG ARG 27 -6.597 2.909 5.515
47 1HD ARG 27 1HD ARG 27 -8.900 2.514 5.079
48 2HD ARG 27 2HD ARG 27 -9.003 3.884 3.944
49 HE ARG 27 HE ARG 27 -7.112 2.541 2.704
50 1HH1 ARG 27 2HH1 ARG 27 -10.119 1.135 3.868
51 2HH1 ARG 27 1HH1 ARG 27 -9.986 -0.181 2.705
52 1HH2 ARG 27 2HH2 ARG 27 -6.936 0.805 1.486
53 2HH2 ARG 27 1HH2 ARG 27 -8.221 -0.397 1.459
54 H GLN 28 H GLN 28 -3.948 4.433 5.372
55 HA GLN 28 HA GLN 28 -3.403 2.930 7.909
56 1HB GLN 28 1HB GLN 28 -4.470 1.751 5.891
57 2HB GLN 28 2HB GLN 28 -2.946 2.005 5.042
58 1HG GLN 28 1HG GLN 28 -1.788 0.643 6.804
59 2HG GLN 28 2HG GLN 28 -3.340 0.414 7.620
60 1HE2 GLN 28 2HE2 GLN 28 -5.111 -0.700 6.198
61 2HE2 GLN 28 1HE2 GLN 28 -4.530 -1.922 5.075
62 H GLY 29 H GLY 29 -2.089 5.161 5.650
63 1HA GLY 29 2HA GLY 29 0.581 5.318 6.651
64 2HA GLY 29 1HA GLY 29 0.001 5.899 5.082
65 H CYS 30 H CYS 30 -0.908 3.111 4.404
66 HA CYS 30 HA CYS 30 -0.334 0.993 3.995
67 1HB CYS 30 1HB CYS 30 1.459 2.778 2.376
68 2HB CYS 30 2HB CYS 30 1.670 1.029 2.245
69 H TRP 31 H TRP 31 1.060 1.853 6.580
70 HA TRP 31 HA TRP 31 3.641 0.610 6.483
71 1HB TRP 31 1HB TRP 31 2.773 2.309 8.168
72 2HB TRP 31 2HB TRP 31 1.995 0.961 8.997
73 HD1 TRP 31 HD1 TRP 31 3.468 -0.007 10.860
74 HE1 TRP 31 HE1 TRP 31 5.976 -0.192 11.383
75 HE3 TRP 31 HE3 TRP 31 5.347 2.281 6.674
76 HZ2 TRP 31 HZ2 TRP 31 8.479 0.479 10.104
77 HZ3 TRP 31 HZ3 TRP 31 7.805 2.458 6.336
78 HH2 TRP 31 HH2 TRP 31 9.374 1.558 8.035
79 H LYS 32 H LYS 32 0.473 -0.756 7.273
80 HA LYS 32 HA LYS 32 1.507 -3.477 7.749
81 1HB LYS 32 1HB LYS 32 -0.556 -2.606 8.810
82 2HB LYS 32 2HB LYS 32 -1.316 -2.433 7.242
83 1HG LYS 32 1HG LYS 32 -0.347 -5.190 7.595
84 2HG LYS 32 2HG LYS 32 -1.268 -4.686 8.989
85 1HD LYS 32 1HD LYS 32 -2.773 -5.756 7.449
86 2HD LYS 32 2HD LYS 32 -3.179 -4.052 7.579
87 1HE LYS 32 1HE LYS 32 -3.415 -4.671 5.294
88 2HE LYS 32 2HE LYS 32 -2.006 -3.621 5.400
89 1HZ LYS 32 3HZ LYS 32 -1.885 -6.596 5.276
90 2HZ LYS 32 1HZ LYS 32 -1.643 -5.598 4.001
91 3HZ LYS 32 2HZ LYS 32 -0.588 -5.586 5.254
92 H CYS 33 H CYS 33 0.269 -1.652 4.991
93 HA CYS 33 HA CYS 33 -0.109 -3.766 3.136
94 1HB CYS 33 1HB CYS 33 -1.026 -1.492 2.961
95 2HB CYS 33 2HB CYS 33 0.601 -0.831 2.825
96 H GLY 34 H GLY 34 2.698 -1.608 3.618
97 1HA GLY 34 2HA GLY 34 4.441 -3.302 1.894
98 2HA GLY 34 1HA GLY 34 4.831 -3.205 3.609
99 H LYS 35 H LYS 35 3.914 -0.191 3.472
100 HA LYS 35 HA LYS 35 5.361 1.248 1.592
101 1HB LYS 35 1HB LYS 35 3.586 2.075 3.055
102 2HB LYS 35 2HB LYS 35 4.661 2.090 4.440
103 1HG LYS 35 1HG LYS 35 5.391 3.617 1.931
104 2HG LYS 35 2HG LYS 35 4.128 4.261 2.963
105 1HD LYS 35 1HD LYS 35 5.515 4.656 4.779
106 2HD LYS 35 2HD LYS 35 6.748 3.517 4.278
107 1HE LYS 35 1HE LYS 35 6.155 6.176 2.909
108 2HE LYS 35 2HE LYS 35 7.473 5.859 4.041
109 1HZ LYS 35 2HZ LYS 35 8.221 4.093 2.416
110 2HZ LYS 35 3HZ LYS 35 7.159 4.685 1.340
111 3HZ LYS 35 1HZ LYS 35 8.375 5.635 1.869
112 H THR 36 H THR 36 6.802 -0.341 4.285
113 HA THR 36 HA THR 36 9.329 0.955 4.408
114 HB THR 36 HB THR 36 8.473 -0.746 5.980
115 HG1 THR 36 HG1 THR 36 10.998 -1.284 4.818
116 1HG2 THR 36 1HG2 THR 36 7.623 -2.455 4.408
117 2HG2 THR 36 2HG2 THR 36 9.285 -2.810 3.888
118 3HG2 THR 36 3HG2 THR 36 8.783 -3.124 5.562
119 H GLY 37 H GLY 37 8.025 -0.928 1.748
120 1HA GLY 37 2HA GLY 37 10.353 -1.850 0.479
121 2HA GLY 37 1HA GLY 37 10.260 -0.135 0.094
122 H HIS 38 H HIS 38 7.042 -1.265 0.210
123 HA HIS 38 HA HIS 38 6.900 -2.632 -2.295
124 1HB HIS 38 1HB HIS 38 4.591 -2.697 -1.966
125 2HB HIS 38 2HB HIS 38 5.300 -2.820 -0.376
126 HD1 HIS 38 HD1 HIS 38 5.263 0.815 -1.187
127 HD2 HIS 38 HD2 HIS 38 2.506 -2.152 -0.076
128 HE1 HIS 38 HE1 HIS 38 3.200 2.044 -0.327
129 H VAL 39 H VAL 39 5.137 -1.873 -3.940
130 HA VAL 39 HA VAL 39 5.698 0.896 -4.925
131 HB VAL 39 HB VAL 39 5.759 -1.654 -6.598
132 1HG1 VAL 39 1HG1 VAL 39 6.424 1.231 -7.335
133 2HG1 VAL 39 2HG1 VAL 39 6.694 -0.183 -8.372
134 3HG1 VAL 39 3HG1 VAL 39 5.054 0.275 -7.953
135 1HG2 VAL 39 1HG2 VAL 39 8.063 0.125 -5.683
136 2HG2 VAL 39 2HG2 VAL 39 7.796 -1.576 -5.234
137 3HG2 VAL 39 3HG2 VAL 39 8.189 -1.165 -6.899
138 H MET 40 H MET 40 4.022 1.813 -6.193
139 HA MET 40 HA MET 40 1.369 1.197 -5.486
140 1HB MET 40 1HB MET 40 0.688 2.866 -7.065
141 2HB MET 40 2HB MET 40 2.093 3.423 -6.169
142 1HG MET 40 1HG MET 40 2.234 2.244 -8.977
143 2HG MET 40 2HG MET 40 2.038 3.957 -8.639
144 1HE MET 40 1HE MET 40 4.101 4.277 -10.334
145 2HE MET 40 2HE MET 40 5.708 3.570 -10.057
146 3HE MET 40 3HE MET 40 4.333 2.517 -10.456
147 H ALA 41 H ALA 41 3.229 -0.309 -7.986
148 HA ALA 41 HA ALA 41 1.085 -1.379 -9.578
149 1HB ALA 41 2HB ALA 41 3.440 -1.211 -10.319
150 2HB ALA 41 3HB ALA 41 3.924 -2.381 -9.067
151 3HB ALA 41 1HB ALA 41 2.860 -2.884 -10.398
152 H LYS 42 H LYS 42 2.045 -2.123 -6.361
153 HA LYS 42 HA LYS 42 0.573 -4.737 -6.382
154 1HB LYS 42 1HB LYS 42 3.100 -4.931 -6.389
155 2HB LYS 42 2HB LYS 42 3.133 -4.027 -4.877
156 1HG LYS 42 1HG LYS 42 3.368 -6.328 -4.327
157 2HG LYS 42 2HG LYS 42 1.769 -5.846 -3.811
158 1HD LYS 42 1HD LYS 42 1.373 -6.831 -6.458
159 2HD LYS 42 2HD LYS 42 2.628 -7.858 -5.786
160 1HE LYS 42 1HE LYS 42 0.629 -8.965 -5.221
161 2HE LYS 42 2HE LYS 42 1.126 -8.164 -3.729
162 1HZ LYS 42 2HZ LYS 42 -0.463 -6.322 -4.397
163 2HZ LYS 42 3HZ LYS 42 -0.998 -7.288 -5.612
164 3HZ LYS 42 1HZ LYS 42 -1.191 -7.745 -4.048
165 H CYS 43 H CYS 43 1.369 -1.846 -4.552
166 HA CYS 43 HA CYS 43 0.338 -2.258 -2.073
167 1HB CYS 43 1HB CYS 43 1.535 -0.300 -2.657
168 2HB CYS 43 2HB CYS 43 0.370 0.155 -3.895
169 HA PRO 44 HA PRO 44 -4.090 -0.650 -3.374
170 1HB PRO 44 1HB PRO 44 -4.376 -2.264 -5.920
171 2HB PRO 44 2HB PRO 44 -5.203 -0.741 -5.455
172 1HG PRO 44 1HG PRO 44 -3.058 -0.649 -7.092
173 2HG PRO 44 2HG PRO 44 -3.187 0.522 -5.739
174 1HD PRO 44 1HD PRO 44 -1.547 -2.007 -5.893
175 2HD PRO 44 2HD PRO 44 -1.107 -0.404 -5.239
176 H GLU 45 H GLU 45 -3.090 -3.984 -4.006
177 HA GLU 45 HA GLU 45 -5.517 -5.107 -2.692
178 1HB GLU 45 1HB GLU 45 -4.859 -6.082 -4.763
179 2HB GLU 45 2HB GLU 45 -3.199 -6.293 -4.254
180 1HG GLU 45 1HG GLU 45 -5.545 -7.705 -2.908
181 2HG GLU 45 2HG GLU 45 -4.736 -8.350 -4.334
182 H ARG 46 H ARG 46 -2.001 -4.757 -2.101
183 HA ARG 46 HA ARG 46 -1.864 -6.530 0.164
184 1HB ARG 46 1HB ARG 46 -0.121 -4.238 -0.794
185 2HB ARG 46 2HB ARG 46 0.275 -5.183 0.637
186 1HG ARG 46 1HG ARG 46 -0.027 -6.360 -2.150
187 2HG ARG 46 2HG ARG 46 1.487 -5.829 -1.425
188 1HD ARG 46 1HD ARG 46 1.529 -8.119 -1.075
189 2HD ARG 46 2HD ARG 46 1.019 -7.460 0.485
190 HE ARG 46 HE ARG 46 -1.172 -8.271 -1.344
191 1HH1 ARG 46 2HH1 ARG 46 0.959 -9.491 1.172
192 2HH1 ARG 46 1HH1 ARG 46 -0.151 -10.762 1.605
193 1HH2 ARG 46 1HH2 ARG 46 -2.552 -9.830 -0.695
194 2HH2 ARG 46 2HH2 ARG 46 -2.084 -10.967 0.553
195 H GLN 47 H GLN 47 -2.970 -3.242 0.006
196 HA GLN 47 HA GLN 47 -2.967 -2.543 2.747
197 1HB GLN 47 1HB GLN 47 -4.997 -2.038 0.547
198 2HB GLN 47 2HB GLN 47 -5.084 -1.276 2.138
199 1HG GLN 47 1HG GLN 47 -3.007 -0.086 1.799
200 2HG GLN 47 2HG GLN 47 -2.679 -0.975 0.307
201 1HE2 GLN 47 2HE2 GLN 47 -2.648 0.935 -1.055
202 2HE2 GLN 47 1HE2 GLN 47 -4.188 1.707 -1.445
203 H ALA 48 H ALA 48 -4.761 -5.111 1.244
204 HA ALA 48 HA ALA 48 -6.243 -6.607 1.904
205 1HB ALA 48 1HB ALA 48 -5.466 -5.895 4.752
206 2HB ALA 48 2HB ALA 48 -6.176 -7.415 4.179
207 3HB ALA 48 3HB ALA 48 -4.544 -6.961 3.663
208 H GLY 49 H GLY 49 -7.237 -3.796 1.558
209 1HA GLY 49 2HA GLY 49 -9.596 -3.431 3.191
210 2HA GLY 49 1HA GLY 49 -9.965 -4.315 1.707
No H/Q in entry = 210
Start of MODEL 16
1 H1 ARG 23 3H ARG 23 -7.881 0.269 1.435
2 H2 ARG 23 2H ARG 23 -9.497 0.542 1.625
3 H3 ARG 23 1H ARG 23 -8.961 -0.857 0.949
4 HA ARG 23 HA ARG 23 -8.085 0.276 -0.935
5 1HB ARG 23 1HB ARG 23 -10.538 -0.545 -0.721
6 2HB ARG 23 2HB ARG 23 -10.974 1.145 -0.612
7 1HG ARG 23 1HG ARG 23 -11.198 0.141 -2.888
8 2HG ARG 23 2HG ARG 23 -10.175 1.566 -2.872
9 1HD ARG 23 1HD ARG 23 -9.311 -0.245 -4.325
10 2HD ARG 23 2HD ARG 23 -8.165 0.229 -3.073
11 HE ARG 23 HE ARG 23 -8.955 -1.784 -1.752
12 1HH1 ARG 23 1HH1 ARG 23 -9.094 -2.023 -5.245
13 2HH1 ARG 23 2HH1 ARG 23 -9.417 -3.737 -5.163
14 1HH2 ARG 23 2HH2 ARG 23 -9.269 -3.774 -1.699
15 2HH2 ARG 23 1HH2 ARG 23 -9.480 -4.753 -3.151
16 H ALA 24 H ALA 24 -7.171 2.046 1.215
17 HA ALA 24 HA ALA 24 -7.197 4.613 -0.145
18 1HB ALA 24 1HB ALA 24 -8.674 4.339 2.512
19 2HB ALA 24 3HB ALA 24 -9.377 4.806 0.949
20 3HB ALA 24 2HB ALA 24 -8.210 5.872 1.746
21 HA PRO 25 HA PRO 25 -3.210 3.508 1.965
22 1HB PRO 25 1HB PRO 25 -2.577 5.971 0.312
23 2HB PRO 25 2HB PRO 25 -1.531 4.562 0.657
24 1HG PRO 25 1HG PRO 25 -2.860 4.686 -1.685
25 2HG PRO 25 2HG PRO 25 -2.856 3.147 -0.765
26 1HD PRO 25 1HD PRO 25 -5.029 5.237 -0.943
27 2HD PRO 25 2HD PRO 25 -5.172 3.454 -0.940
28 H ARG 26 H ARG 26 -4.656 6.757 1.787
29 HA ARG 26 HA ARG 26 -3.361 8.104 3.865
30 1HB ARG 26 1HB ARG 26 -4.862 9.188 2.301
31 2HB ARG 26 2HB ARG 26 -6.229 8.222 2.850
32 1HG ARG 26 1HG ARG 26 -6.391 10.507 3.670
33 2HG ARG 26 2HG ARG 26 -6.259 9.370 5.002
34 1HD ARG 26 1HD ARG 26 -3.749 9.957 5.099
35 2HD ARG 26 2HD ARG 26 -4.085 11.202 3.903
36 HE ARG 26 HE ARG 26 -5.149 12.494 5.522
37 1HH1 ARG 26 2HH2 ARG 26 -4.592 9.318 6.960
38 2HH1 ARG 26 1HH2 ARG 26 -4.987 9.901 8.555
39 1HH2 ARG 26 2HH1 ARG 26 -5.668 13.120 7.581
40 2HH2 ARG 26 1HH1 ARG 26 -5.592 11.976 8.889
41 H ARG 27 H ARG 27 -5.843 5.583 4.285
42 HA ARG 27 HA ARG 27 -6.323 6.263 7.090
43 1HB ARG 27 1HB ARG 27 -7.876 4.562 7.126
44 2HB ARG 27 2HB ARG 27 -7.909 5.045 5.433
45 1HG ARG 27 1HG ARG 27 -6.269 3.102 5.001
46 2HG ARG 27 2HG ARG 27 -6.558 2.598 6.665
47 1HD ARG 27 1HD ARG 27 -8.929 2.274 6.227
48 2HD ARG 27 2HD ARG 27 -8.737 2.895 4.568
49 HE ARG 27 HE ARG 27 -6.857 0.868 4.747
50 1HH1 ARG 27 2HH2 ARG 27 -10.376 0.809 4.954
51 2HH1 ARG 27 1HH2 ARG 27 -10.406 -0.824 4.333
52 1HH2 ARG 27 2HH1 ARG 27 -6.976 -0.969 4.002
53 2HH2 ARG 27 1HH1 ARG 27 -8.488 -1.767 3.573
54 H GLN 28 H GLN 28 -3.783 4.614 5.561
55 HA GLN 28 HA GLN 28 -3.029 3.123 8.050
56 1HB GLN 28 1HB GLN 28 -4.088 1.920 5.930
57 2HB GLN 28 2HB GLN 28 -2.488 2.154 5.234
58 1HG GLN 28 1HG GLN 28 -1.699 1.023 7.537
59 2HG GLN 28 2HG GLN 28 -3.364 0.452 7.575
60 1HE2 GLN 28 1HE2 GLN 28 -4.016 -0.543 5.127
61 2HE2 GLN 28 2HE2 GLN 28 -2.772 -1.668 4.624
62 H GLY 29 H GLY 29 -1.873 5.261 5.523
63 1HA GLY 29 2HA GLY 29 0.817 5.574 6.479
64 2HA GLY 29 1HA GLY 29 0.195 5.996 4.875
65 H CYS 30 H CYS 30 -0.690 3.276 4.276
66 HA CYS 30 HA CYS 30 -0.191 1.148 3.892
67 1HB CYS 30 1HB CYS 30 2.029 2.675 2.520
68 2HB CYS 30 2HB CYS 30 1.821 0.932 2.292
69 H TRP 31 H TRP 31 0.882 1.934 6.558
70 HA TRP 31 HA TRP 31 3.347 0.985 7.293
71 1HB TRP 31 1HB TRP 31 2.111 2.051 8.924
72 2HB TRP 31 2HB TRP 31 0.658 1.127 8.595
73 HD1 TRP 31 HD1 TRP 31 -0.064 -0.304 10.444
74 HE1 TRP 31 HE1 TRP 31 0.998 -1.655 12.346
75 HE3 TRP 31 HE3 TRP 31 4.885 0.625 9.444
76 HZ2 TRP 31 HZ2 TRP 31 3.641 -2.322 13.268
77 HZ3 TRP 31 HZ3 TRP 31 6.654 -0.420 10.841
78 HH2 TRP 31 HH2 TRP 31 6.050 -1.892 12.749
79 H LYS 32 H LYS 32 0.630 -1.159 6.547
80 HA LYS 32 HA LYS 32 2.466 -3.505 6.850
81 1HB LYS 32 1HB LYS 32 0.628 -3.064 8.691
82 2HB LYS 32 2HB LYS 32 -0.498 -3.631 7.473
83 1HG LYS 32 1HG LYS 32 0.129 -5.417 9.009
84 2HG LYS 32 2HG LYS 32 0.656 -5.805 7.379
85 1HD LYS 32 1HD LYS 32 2.296 -6.440 9.106
86 2HD LYS 32 2HD LYS 32 2.982 -5.330 7.940
87 1HE LYS 32 1HE LYS 32 1.813 -3.904 10.250
88 2HE LYS 32 2HE LYS 32 2.949 -5.138 10.774
89 1HZ LYS 32 1HZ LYS 32 4.624 -4.140 9.298
90 2HZ LYS 32 2HZ LYS 32 3.591 -2.941 8.865
91 3HZ LYS 32 3HZ LYS 32 4.103 -3.064 10.405
92 H CYS 33 H CYS 33 0.158 -1.901 4.900
93 HA CYS 33 HA CYS 33 -0.231 -3.685 2.734
94 1HB CYS 33 1HB CYS 33 -1.279 -1.483 3.091
95 2HB CYS 33 2HB CYS 33 0.297 -0.699 2.962
96 H GLY 34 H GLY 34 2.554 -1.593 3.578
97 1HA GLY 34 2HA GLY 34 4.322 -3.100 1.676
98 2HA GLY 34 1HA GLY 34 4.612 -3.137 3.407
99 H LYS 35 H LYS 35 3.935 -0.141 3.631
100 HA LYS 35 HA LYS 35 5.369 1.474 1.919
101 1HB LYS 35 1HB LYS 35 3.801 2.227 3.684
102 2HB LYS 35 2HB LYS 35 4.976 1.825 4.923
103 1HG LYS 35 1HG LYS 35 4.954 4.210 4.590
104 2HG LYS 35 2HG LYS 35 6.489 3.586 4.057
105 1HD LYS 35 1HD LYS 35 5.163 3.585 1.640
106 2HD LYS 35 2HD LYS 35 4.225 4.802 2.494
107 1HE LYS 35 1HE LYS 35 5.919 6.039 1.416
108 2HE LYS 35 2HE LYS 35 6.478 5.908 3.086
109 1HZ LYS 35 2HZ LYS 35 7.818 3.918 2.278
110 2HZ LYS 35 3HZ LYS 35 7.422 4.326 0.754
111 3HZ LYS 35 1HZ LYS 35 8.303 5.360 1.655
112 H THR 36 H THR 36 6.859 -0.577 4.263
113 HA THR 36 HA THR 36 9.436 0.616 4.537
114 HB THR 36 HB THR 36 10.158 -1.725 5.065
115 HG1 THR 36 HG1 THR 36 8.561 -3.309 5.081
116 1HG2 THR 36 3HG2 THR 36 9.133 -0.259 6.815
117 2HG2 THR 36 1HG2 THR 36 7.536 -0.937 6.423
118 3HG2 THR 36 2HG2 THR 36 8.814 -1.981 7.079
119 H GLY 37 H GLY 37 8.033 -1.015 1.754
120 1HA GLY 37 2HA GLY 37 10.378 -1.858 0.414
121 2HA GLY 37 1HA GLY 37 10.223 -0.132 0.106
122 H HIS 38 H HIS 38 7.038 -1.258 0.219
123 HA HIS 38 HA HIS 38 6.857 -2.578 -2.310
124 1HB HIS 38 1HB HIS 38 4.572 -2.652 -1.982
125 2HB HIS 38 2HB HIS 38 5.243 -2.752 -0.375
126 HD1 HIS 38 HD1 HIS 38 5.335 0.836 -0.900
127 HD2 HIS 38 HD2 HIS 38 2.290 -2.033 -0.506
128 HE1 HIS 38 HE1 HIS 38 3.225 2.110 -0.243
129 H VAL 39 H VAL 39 5.198 -1.795 -3.956
130 HA VAL 39 HA VAL 39 5.630 1.033 -4.822
131 HB VAL 39 HB VAL 39 5.769 -1.458 -6.584
132 1HG1 VAL 39 3HG1 VAL 39 6.221 1.481 -7.265
133 2HG1 VAL 39 1HG1 VAL 39 6.561 0.115 -8.345
134 3HG1 VAL 39 2HG1 VAL 39 4.905 0.443 -7.870
135 1HG2 VAL 39 1HG2 VAL 39 7.993 0.436 -5.703
136 2HG2 VAL 39 2HG2 VAL 39 7.841 -1.283 -5.275
137 3HG2 VAL 39 3HG2 VAL 39 8.155 -0.826 -6.945
138 H MET 40 H MET 40 3.837 1.873 -6.084
139 HA MET 40 HA MET 40 1.274 1.075 -5.211
140 1HB MET 40 1HB MET 40 0.363 2.679 -6.728
141 2HB MET 40 2HB MET 40 1.760 3.343 -5.905
142 1HG MET 40 1HG MET 40 1.766 2.247 -8.750
143 2HG MET 40 2HG MET 40 1.547 3.935 -8.333
144 1HE MET 40 3HE MET 40 3.383 5.572 -7.497
145 2HE MET 40 1HE MET 40 3.712 4.569 -6.064
146 3HE MET 40 2HE MET 40 5.049 5.099 -7.103
147 H ALA 41 H ALA 41 3.076 -0.221 -7.888
148 HA ALA 41 HA ALA 41 0.940 -1.526 -9.297
149 1HB ALA 41 3HB ALA 41 3.189 -1.104 -10.223
150 2HB ALA 41 1HB ALA 41 3.900 -2.217 -9.029
151 3HB ALA 41 2HB ALA 41 2.787 -2.829 -10.271
152 H LYS 42 H LYS 42 2.307 -2.195 -6.198
153 HA LYS 42 HA LYS 42 1.240 -5.002 -6.133
154 1HB LYS 42 1HB LYS 42 3.733 -4.458 -5.817
155 2HB LYS 42 2HB LYS 42 3.313 -3.758 -4.269
156 1HG LYS 42 1HG LYS 42 2.750 -6.634 -5.134
157 2HG LYS 42 2HG LYS 42 4.195 -6.124 -4.284
158 1HD LYS 42 1HD LYS 42 1.373 -6.141 -3.159
159 2HD LYS 42 2HD LYS 42 2.703 -7.225 -2.776
160 1HE LYS 42 1HE LYS 42 4.009 -5.140 -1.990
161 2HE LYS 42 2HE LYS 42 2.466 -4.276 -2.079
162 1HZ LYS 42 1HZ LYS 42 1.612 -6.132 -0.554
163 2HZ LYS 42 2HZ LYS 42 3.163 -6.558 -0.317
164 3HZ LYS 42 3HZ LYS 42 2.637 -5.075 0.144
165 H CYS 43 H CYS 43 1.592 -2.075 -4.191
166 HA CYS 43 HA CYS 43 0.507 -1.995 -1.947
167 1HB CYS 43 1HB CYS 43 0.940 -0.115 -3.457
168 2HB CYS 43 2HB CYS 43 -0.678 -0.312 -4.161
169 HA PRO 44 HA PRO 44 -3.294 -4.625 -1.805
170 1HB PRO 44 1HB PRO 44 -2.391 -3.996 1.027
171 2HB PRO 44 2HB PRO 44 -3.259 -5.449 0.438
172 1HG PRO 44 1HG PRO 44 -0.577 -5.517 0.732
173 2HG PRO 44 2HG PRO 44 -1.323 -6.213 -0.745
174 1HD PRO 44 1HD PRO 44 0.129 -3.605 -0.425
175 2HD PRO 44 2HD PRO 44 0.079 -4.712 -1.812
176 H GLU 45 H GLU 45 -2.574 -1.532 -0.057
177 HA GLU 45 HA GLU 45 -5.332 -0.891 0.442
178 1HB GLU 45 1HB GLU 45 -2.774 0.719 0.367
179 2HB GLU 45 2HB GLU 45 -4.314 1.550 0.493
180 1HG GLU 45 1HG GLU 45 -3.386 -0.607 2.408
181 2HG GLU 45 2HG GLU 45 -3.247 1.130 2.690
182 H ARG 46 H ARG 46 -3.756 -0.964 -2.574
183 HA ARG 46 HA ARG 46 -5.995 0.629 -3.786
184 1HB ARG 46 1HB ARG 46 -3.585 1.316 -4.201
185 2HB ARG 46 2HB ARG 46 -3.378 -0.198 -5.082
186 1HG ARG 46 1HG ARG 46 -5.254 0.532 -6.629
187 2HG ARG 46 2HG ARG 46 -5.358 2.042 -5.721
188 1HD ARG 46 1HD ARG 46 -4.067 2.420 -7.738
189 2HD ARG 46 2HD ARG 46 -3.011 2.567 -6.336
190 HE ARG 46 HE ARG 46 -1.764 0.766 -7.090
191 1HH1 ARG 46 1HH1 ARG 46 -4.797 0.587 -8.879
192 2HH1 ARG 46 2HH1 ARG 46 -4.219 -0.752 -9.831
193 1HH2 ARG 46 1HH2 ARG 46 -1.156 -0.862 -8.275
194 2HH2 ARG 46 2HH2 ARG 46 -2.242 -1.657 -9.404
195 H GLN 47 H GLN 47 -4.704 -2.594 -3.487
196 HA GLN 47 HA GLN 47 -6.443 -3.548 -5.742
197 1HB GLN 47 1HB GLN 47 -3.688 -4.536 -4.925
198 2HB GLN 47 2HB GLN 47 -4.665 -5.125 -6.274
199 1HG GLN 47 1HG GLN 47 -4.609 -2.752 -7.218
200 2HG GLN 47 2HG GLN 47 -3.377 -2.390 -5.998
201 1HE2 GLN 47 2HE2 GLN 47 -1.539 -4.321 -5.978
202 2HE2 GLN 47 1HE2 GLN 47 -0.898 -4.523 -7.609
203 H ALA 48 H ALA 48 -5.694 -4.294 -2.374
204 HA ALA 48 HA ALA 48 -7.144 -6.897 -2.656
205 1HB ALA 48 3HB ALA 48 -4.428 -6.554 -1.333
206 2HB ALA 48 1HB ALA 48 -5.341 -8.060 -1.527
207 3HB ALA 48 2HB ALA 48 -4.697 -7.234 -2.955
208 H GLY 49 H GLY 49 -6.975 -4.065 -0.813
209 1HA GLY 49 2HA GLY 49 -7.417 -4.572 1.820
210 2HA GLY 49 1HA GLY 49 -8.908 -5.191 1.105
No H/Q in entry = 210
Start of MODEL 17
1 H1 ARG 23 2H ARG 23 -8.231 0.701 1.840
2 H2 ARG 23 1H ARG 23 -9.554 -0.255 1.593
3 H3 ARG 23 3H ARG 23 -8.168 -0.481 0.732
4 HA ARG 23 HA ARG 23 -9.698 0.577 -0.701
5 1HB ARG 23 1HB ARG 23 -9.991 2.626 1.522
6 2HB ARG 23 2HB ARG 23 -10.463 2.925 -0.146
7 1HG ARG 23 1HG ARG 23 -11.711 0.932 1.764
8 2HG ARG 23 2HG ARG 23 -12.419 2.355 1.025
9 1HD ARG 23 1HD ARG 23 -13.367 0.711 -0.263
10 2HD ARG 23 2HD ARG 23 -11.977 1.121 -1.263
11 HE ARG 23 HE ARG 23 -12.099 -1.197 0.679
12 1HH1 ARG 23 2HH1 ARG 23 -11.071 -0.195 -2.556
13 2HH1 ARG 23 1HH1 ARG 23 -10.081 -1.628 -2.699
14 1HH2 ARG 23 2HH2 ARG 23 -11.229 -2.963 0.276
15 2HH2 ARG 23 1HH2 ARG 23 -10.400 -3.340 -1.238
16 H ALA 24 H ALA 24 -7.365 2.702 1.127
17 HA ALA 24 HA ALA 24 -5.873 3.153 -1.319
18 1HB ALA 24 3HB ALA 24 -7.552 5.417 -0.131
19 2HB ALA 24 2HB ALA 24 -7.791 4.661 -1.722
20 3HB ALA 24 1HB ALA 24 -6.329 5.608 -1.407
21 HA PRO 25 HA PRO 25 -2.520 3.775 1.507
22 1HB PRO 25 1HB PRO 25 -1.871 6.220 -0.161
23 2HB PRO 25 2HB PRO 25 -0.761 4.962 0.462
24 1HG PRO 25 1HG PRO 25 -1.623 4.877 -2.104
25 2HG PRO 25 2HG PRO 25 -1.557 3.371 -1.136
26 1HD PRO 25 1HD PRO 25 -3.950 5.052 -1.839
27 2HD PRO 25 2HD PRO 25 -3.790 3.273 -1.720
28 H ARG 26 H ARG 26 -4.356 6.707 0.756
29 HA ARG 26 HA ARG 26 -3.555 8.388 2.860
30 1HB ARG 26 1HB ARG 26 -5.370 9.779 2.226
31 2HB ARG 26 2HB ARG 26 -4.747 9.041 0.772
32 1HG ARG 26 1HG ARG 26 -6.755 8.185 0.247
33 2HG ARG 26 2HG ARG 26 -6.875 7.325 1.773
34 1HD ARG 26 1HD ARG 26 -7.698 10.213 1.261
35 2HD ARG 26 2HD ARG 26 -8.778 8.821 1.453
36 HE ARG 26 HE ARG 26 -7.030 9.145 3.751
37 1HH1 ARG 26 2HH1 ARG 26 -9.968 10.519 2.420
38 2HH1 ARG 26 1HH1 ARG 26 -10.507 11.077 3.980
39 1HH2 ARG 26 2HH2 ARG 26 -7.760 9.854 5.670
40 2HH2 ARG 26 1HH2 ARG 26 -9.275 10.705 5.785
41 H ARG 27 H ARG 27 -5.242 5.540 3.442
42 HA ARG 27 HA ARG 27 -6.201 6.620 6.082
43 1HB ARG 27 1HB ARG 27 -7.981 5.135 6.117
44 2HB ARG 27 2HB ARG 27 -7.937 5.730 4.471
45 1HG ARG 27 1HG ARG 27 -8.176 3.547 3.928
46 2HG ARG 27 2HG ARG 27 -6.430 3.471 4.153
47 1HD ARG 27 1HD ARG 27 -6.841 2.742 6.546
48 2HD ARG 27 2HD ARG 27 -8.570 2.752 6.217
49 HE ARG 27 HE ARG 27 -6.520 0.955 4.945
50 1HH1 ARG 27 2HH2 ARG 27 -9.995 1.513 5.354
51 2HH1 ARG 27 1HH2 ARG 27 -10.305 0.059 4.402
52 1HH2 ARG 27 1HH1 ARG 27 -7.071 -0.756 3.953
53 2HH2 ARG 27 2HH1 ARG 27 -8.780 -1.213 3.757
54 H GLN 28 H GLN 28 -3.717 4.809 4.807
55 HA GLN 28 HA GLN 28 -3.273 3.357 7.396
56 1HB GLN 28 1HB GLN 28 -4.188 2.032 5.290
57 2HB GLN 28 2HB GLN 28 -2.534 2.185 4.706
58 1HG GLN 28 1HG GLN 28 -2.008 1.221 7.196
59 2HG GLN 28 2HG GLN 28 -3.650 0.620 7.026
60 1HE2 GLN 28 2HE2 GLN 28 -3.985 -0.591 4.689
61 2HE2 GLN 28 1HE2 GLN 28 -2.652 -1.692 4.379
62 H GLY 29 H GLY 29 -1.865 5.387 4.935
63 1HA GLY 29 2HA GLY 29 0.757 5.628 6.049
64 2HA GLY 29 1HA GLY 29 0.263 6.015 4.392
65 H CYS 30 H CYS 30 -0.663 3.294 3.857
66 HA CYS 30 HA CYS 30 -0.238 1.123 3.670
67 1HB CYS 30 1HB CYS 30 2.005 2.486 2.168
68 2HB CYS 30 2HB CYS 30 1.695 0.743 2.035
69 H TRP 31 H TRP 31 0.913 2.014 6.291
70 HA TRP 31 HA TRP 31 3.508 0.977 6.603
71 1HB TRP 31 1HB TRP 31 1.671 2.387 8.185
72 2HB TRP 31 2HB TRP 31 1.995 0.931 9.105
73 HD1 TRP 31 HD1 TRP 31 4.890 0.410 9.094
74 HE1 TRP 31 HE1 TRP 31 6.740 2.077 9.714
75 HE3 TRP 31 HE3 TRP 31 2.275 4.781 8.496
76 HZ2 TRP 31 HZ2 TRP 31 7.076 4.938 9.835
77 HZ3 TRP 31 HZ3 TRP 31 3.400 6.971 8.865
78 HH2 TRP 31 HH2 TRP 31 5.795 7.060 9.519
79 H LYS 32 H LYS 32 0.637 -0.889 6.477
80 HA LYS 32 HA LYS 32 2.150 -3.341 7.313
81 1HB LYS 32 1HB LYS 32 0.237 -2.759 8.803
82 2HB LYS 32 2HB LYS 32 -0.832 -2.755 7.412
83 1HG LYS 32 1HG LYS 32 -1.275 -4.740 8.501
84 2HG LYS 32 2HG LYS 32 -0.347 -5.237 7.111
85 1HD LYS 32 1HD LYS 32 0.711 -4.916 9.961
86 2HD LYS 32 2HD LYS 32 0.169 -6.430 9.263
87 1HE LYS 32 1HE LYS 32 2.623 -4.836 8.417
88 2HE LYS 32 2HE LYS 32 2.588 -6.326 9.345
89 1HZ LYS 32 3HZ LYS 32 1.566 -7.423 7.385
90 2HZ LYS 32 1HZ LYS 32 1.760 -6.046 6.505
91 3HZ LYS 32 2HZ LYS 32 3.060 -6.850 7.068
92 H CYS 33 H CYS 33 0.160 -1.848 4.871
93 HA CYS 33 HA CYS 33 -0.125 -3.882 2.927
94 1HB CYS 33 1HB CYS 33 -1.309 -1.833 2.860
95 2HB CYS 33 2HB CYS 33 0.161 -0.867 2.993
96 H GLY 34 H GLY 34 2.611 -1.656 3.529
97 1HA GLY 34 2HA GLY 34 4.373 -3.229 1.688
98 2HA GLY 34 1HA GLY 34 4.701 -3.232 3.416
99 H LYS 35 H LYS 35 3.907 -0.182 3.430
100 HA LYS 35 HA LYS 35 5.436 1.341 1.704
101 1HB LYS 35 1HB LYS 35 3.761 2.117 3.333
102 2HB LYS 35 2HB LYS 35 4.897 1.916 4.647
103 1HG LYS 35 1HG LYS 35 5.722 3.640 2.304
104 2HG LYS 35 2HG LYS 35 4.422 4.246 3.294
105 1HD LYS 35 1HD LYS 35 7.204 3.530 4.317
106 2HD LYS 35 2HD LYS 35 6.611 5.146 3.982
107 1HE LYS 35 1HE LYS 35 5.560 3.254 6.137
108 2HE LYS 35 2HE LYS 35 6.609 4.649 6.384
109 1HZ LYS 35 2HZ LYS 35 4.789 6.049 5.481
110 2HZ LYS 35 3HZ LYS 35 3.806 4.730 5.409
111 3HZ LYS 35 1HZ LYS 35 4.360 5.269 6.853
112 H THR 36 H THR 36 6.768 -0.540 4.294
113 HA THR 36 HA THR 36 9.349 0.606 4.621
114 HB THR 36 HB THR 36 10.000 -1.721 5.292
115 HG1 THR 36 HG1 THR 36 8.373 -3.272 5.301
116 1HG2 THR 36 3HG2 THR 36 8.917 -0.154 6.916
117 2HG2 THR 36 1HG2 THR 36 7.330 -0.821 6.477
118 3HG2 THR 36 2HG2 THR 36 8.552 -1.854 7.245
119 H GLY 37 H GLY 37 8.068 -1.116 1.839
120 1HA GLY 37 2HA GLY 37 10.397 -2.051 0.585
121 2HA GLY 37 1HA GLY 37 10.391 -0.311 0.310
122 H HIS 38 H HIS 38 7.128 -1.304 0.270
123 HA HIS 38 HA HIS 38 7.021 -2.507 -2.317
124 1HB HIS 38 1HB HIS 38 4.760 -2.636 -2.060
125 2HB HIS 38 2HB HIS 38 5.324 -2.702 -0.413
126 HD1 HIS 38 HD1 HIS 38 5.333 0.895 -0.995
127 HD2 HIS 38 HD2 HIS 38 2.374 -2.081 -0.777
128 HE1 HIS 38 HE1 HIS 38 3.128 2.101 -0.559
129 H VAL 39 H VAL 39 5.519 -1.674 -4.026
130 HA VAL 39 HA VAL 39 5.735 1.248 -4.592
131 HB VAL 39 HB VAL 39 6.145 -1.014 -6.599
132 1HG1 VAL 39 2HG1 VAL 39 6.131 2.011 -7.014
133 2HG1 VAL 39 3HG1 VAL 39 6.673 0.818 -8.212
134 3HG1 VAL 39 1HG1 VAL 39 4.990 0.833 -7.716
135 1HG2 VAL 39 3HG2 VAL 39 8.078 1.113 -5.570
136 2HG2 VAL 39 1HG2 VAL 39 8.178 -0.634 -5.258
137 3HG2 VAL 39 2HG2 VAL 39 8.410 -0.026 -6.896
138 H MET 40 H MET 40 3.907 2.065 -5.742
139 HA MET 40 HA MET 40 1.468 1.075 -4.798
140 1HB MET 40 1HB MET 40 1.989 3.051 -7.042
141 2HB MET 40 2HB MET 40 0.413 2.770 -6.294
142 1HG MET 40 1HG MET 40 2.895 3.794 -4.866
143 2HG MET 40 2HG MET 40 1.489 4.741 -5.342
144 1HE MET 40 2HE MET 40 2.764 4.760 -2.412
145 2HE MET 40 3HE MET 40 1.350 5.740 -2.868
146 3HE MET 40 1HE MET 40 1.297 4.728 -1.408
147 H ALA 41 H ALA 41 3.077 -0.078 -7.636
148 HA ALA 41 HA ALA 41 0.865 -1.192 -9.060
149 1HB ALA 41 2HB ALA 41 3.160 -1.073 -9.943
150 2HB ALA 41 3HB ALA 41 3.720 -2.212 -8.694
151 3HB ALA 41 1HB ALA 41 2.571 -2.746 -9.940
152 H LYS 42 H LYS 42 2.705 -2.433 -6.237
153 HA LYS 42 HA LYS 42 1.258 -4.982 -6.070
154 1HB LYS 42 1HB LYS 42 3.635 -4.654 -5.356
155 2HB LYS 42 2HB LYS 42 3.108 -3.528 -4.120
156 1HG LYS 42 1HG LYS 42 1.593 -5.845 -3.575
157 2HG LYS 42 2HG LYS 42 3.132 -6.484 -4.131
158 1HD LYS 42 1HD LYS 42 4.339 -5.145 -2.436
159 2HD LYS 42 2HD LYS 42 2.813 -4.396 -1.921
160 1HE LYS 42 1HE LYS 42 1.953 -6.715 -1.358
161 2HE LYS 42 2HE LYS 42 3.566 -7.340 -1.705
162 1HZ LYS 42 2HZ LYS 42 4.422 -5.881 0.076
163 2HZ LYS 42 3HZ LYS 42 2.903 -5.359 0.436
164 3HZ LYS 42 1HZ LYS 42 3.313 -6.921 0.656
165 H CYS 43 H CYS 43 1.425 -2.126 -4.033
166 HA CYS 43 HA CYS 43 0.337 -1.905 -1.963
167 1HB CYS 43 1HB CYS 43 0.216 -0.139 -3.744
168 2HB CYS 43 2HB CYS 43 -1.459 -0.629 -4.031
169 HA PRO 44 HA PRO 44 -2.931 -5.218 -1.507
170 1HB PRO 44 1HB PRO 44 -1.610 -4.804 1.185
171 2HB PRO 44 2HB PRO 44 -2.363 -6.292 0.520
172 1HG PRO 44 1HG PRO 44 0.312 -5.983 0.394
173 2HG PRO 44 2HG PRO 44 -0.575 -6.585 -1.044
174 1HD PRO 44 1HD PRO 44 0.510 -3.826 -0.529
175 2HD PRO 44 2HD PRO 44 0.450 -4.755 -2.042
176 H GLU 45 H GLU 45 -2.265 -2.168 0.287
177 HA GLU 45 HA GLU 45 -4.795 -1.913 1.582
178 1HB GLU 45 1HB GLU 45 -2.940 -0.553 2.215
179 2HB GLU 45 2HB GLU 45 -2.748 0.083 0.593
180 1HG GLU 45 1HG GLU 45 -3.663 1.731 2.152
181 2HG GLU 45 2HG GLU 45 -4.696 1.418 0.763
182 H ARG 46 H ARG 46 -3.988 -1.358 -1.848
183 HA ARG 46 HA ARG 46 -6.518 -0.022 -2.491
184 1HB ARG 46 1HB ARG 46 -4.503 0.175 -3.897
185 2HB ARG 46 2HB ARG 46 -4.537 -1.566 -4.183
186 1HG ARG 46 1HG ARG 46 -6.760 -1.310 -5.338
187 2HG ARG 46 2HG ARG 46 -6.665 0.439 -5.071
188 1HD ARG 46 1HD ARG 46 -5.956 -0.207 -7.357
189 2HD ARG 46 2HD ARG 46 -4.650 0.566 -6.442
190 HE ARG 46 HE ARG 46 -4.801 -2.410 -6.401
191 1HH1 ARG 46 2HH2 ARG 46 -3.022 0.335 -7.640
192 2HH1 ARG 46 1HH2 ARG 46 -1.507 -0.512 -7.485
193 1HH2 ARG 46 2HH1 ARG 46 -2.989 -3.451 -6.473
194 2HH2 ARG 46 1HH1 ARG 46 -1.551 -2.776 -7.233
195 H GLN 47 H GLN 47 -5.390 -3.408 -2.546
196 HA GLN 47 HA GLN 47 -7.891 -4.454 -3.613
197 1HB GLN 47 1HB GLN 47 -5.502 -5.801 -2.271
198 2HB GLN 47 2HB GLN 47 -6.931 -6.660 -2.828
199 1HG GLN 47 1HG GLN 47 -5.489 -6.956 -4.593
200 2HG GLN 47 2HG GLN 47 -6.512 -5.641 -5.154
201 1HE2 GLN 47 1HE2 GLN 47 -3.296 -6.363 -3.678
202 2HE2 GLN 47 2HE2 GLN 47 -2.500 -4.952 -4.363
203 H ALA 48 H ALA 48 -6.459 -4.493 -0.314
204 HA ALA 48 HA ALA 48 -8.817 -5.859 0.760
205 1HB ALA 48 3HB ALA 48 -6.165 -5.047 2.029
206 2HB ALA 48 1HB ALA 48 -7.359 -6.168 2.715
207 3HB ALA 48 2HB ALA 48 -6.499 -6.599 1.227
208 H GLY 49 H GLY 49 -9.714 -5.304 2.821
209 1HA GLY 49 2HA GLY 49 -9.762 -3.005 4.337
210 2HA GLY 49 1HA GLY 49 -11.188 -3.980 3.998
No H/Q in entry = 210
Start of MODEL 18
1 H1 ARG 23 1H ARG 23 -8.214 1.207 1.707
2 H2 ARG 23 3H ARG 23 -9.428 0.198 1.232
3 H3 ARG 23 2H ARG 23 -7.980 0.222 0.447
4 HA ARG 23 HA ARG 23 -9.472 1.284 -0.934
5 1HB ARG 23 1HB ARG 23 -10.897 3.040 -0.422
6 2HB ARG 23 2HB ARG 23 -11.211 1.756 0.715
7 1HG ARG 23 1HG ARG 23 -9.704 4.347 1.317
8 2HG ARG 23 2HG ARG 23 -11.391 4.035 1.660
9 1HD ARG 23 1HD ARG 23 -9.047 2.590 2.943
10 2HD ARG 23 2HD ARG 23 -10.013 3.854 3.677
11 HE ARG 23 HE ARG 23 -10.806 1.031 3.196
12 1HH1 ARG 23 2HH2 ARG 23 -12.057 4.169 4.173
13 2HH1 ARG 23 1HH2 ARG 23 -13.379 3.440 5.041
14 1HH2 ARG 23 1HH1 ARG 23 -12.360 0.203 4.409
15 2HH2 ARG 23 2HH1 ARG 23 -13.580 1.235 5.134
16 H ALA 24 H ALA 24 -7.277 3.085 1.331
17 HA ALA 24 HA ALA 24 -5.882 4.204 -0.944
18 1HB ALA 24 3HB ALA 24 -7.541 6.056 0.834
19 2HB ALA 24 2HB ALA 24 -7.830 5.725 -0.889
20 3HB ALA 24 1HB ALA 24 -6.363 6.581 -0.389
21 HA PRO 25 HA PRO 25 -2.532 4.082 2.022
22 1HB PRO 25 1HB PRO 25 -1.690 6.661 0.686
23 2HB PRO 25 2HB PRO 25 -0.687 5.248 1.137
24 1HG PRO 25 1HG PRO 25 -1.514 5.577 -1.420
25 2HG PRO 25 2HG PRO 25 -1.580 3.954 -0.667
26 1HD PRO 25 1HD PRO 25 -3.828 5.907 -1.118
27 2HD PRO 25 2HD PRO 25 -3.802 4.124 -1.284
28 H ARG 26 H ARG 26 -4.258 7.147 1.655
29 HA ARG 26 HA ARG 26 -3.415 8.698 3.771
30 1HB ARG 26 1HB ARG 26 -5.001 9.350 2.003
31 2HB ARG 26 2HB ARG 26 -6.230 8.295 2.682
32 1HG ARG 26 1HG ARG 26 -6.742 10.572 3.179
33 2HG ARG 26 2HG ARG 26 -6.403 9.744 4.686
34 1HD ARG 26 1HD ARG 26 -4.314 11.421 3.226
35 2HD ARG 26 2HD ARG 26 -5.495 12.128 4.341
36 HE ARG 26 HE ARG 26 -4.235 9.967 5.682
37 1HH1 ARG 26 2HH1 ARG 26 -3.402 13.208 4.631
38 2HH1 ARG 26 1HH1 ARG 26 -2.203 13.396 5.883
39 1HH2 ARG 26 2HH2 ARG 26 -2.700 10.254 7.213
40 2HH2 ARG 26 1HH2 ARG 26 -1.817 11.751 7.315
41 H ARG 27 H ARG 27 -5.553 5.874 4.112
42 HA ARG 27 HA ARG 27 -6.089 6.533 6.956
43 1HB ARG 27 1HB ARG 27 -7.684 4.797 6.939
44 2HB ARG 27 2HB ARG 27 -7.894 5.706 5.456
45 1HG ARG 27 1HG ARG 27 -7.515 3.893 4.160
46 2HG ARG 27 2HG ARG 27 -6.047 3.458 5.014
47 1HD ARG 27 1HD ARG 27 -7.462 2.455 6.854
48 2HD ARG 27 2HD ARG 27 -8.888 2.755 5.838
49 HE ARG 27 HE ARG 27 -6.711 1.287 4.507
50 1HH1 ARG 27 2HH1 ARG 27 -9.750 0.784 6.210
51 2HH1 ARG 27 1HH1 ARG 27 -10.041 -0.674 5.280
52 1HH2 ARG 27 2HH2 ARG 27 -6.891 -0.618 3.857
53 2HH2 ARG 27 1HH2 ARG 27 -8.330 -1.614 4.152
54 H GLN 28 H GLN 28 -3.545 4.952 5.481
55 HA GLN 28 HA GLN 28 -3.042 3.204 7.869
56 1HB GLN 28 1HB GLN 28 -4.108 2.154 5.666
57 2HB GLN 28 2HB GLN 28 -2.470 2.293 5.042
58 1HG GLN 28 1HG GLN 28 -1.956 1.056 7.436
59 2HG GLN 28 2HG GLN 28 -3.610 0.518 7.180
60 1HE2 GLN 28 1HE2 GLN 28 -3.919 -0.333 4.638
61 2HE2 GLN 28 2HE2 GLN 28 -2.615 -1.428 4.230
62 H GLY 29 H GLY 29 -1.664 5.422 5.572
63 1HA GLY 29 2HA GLY 29 1.038 5.401 6.530
64 2HA GLY 29 1HA GLY 29 0.456 6.028 4.980
65 H CYS 30 H CYS 30 -0.670 3.354 4.262
66 HA CYS 30 HA CYS 30 -0.307 1.199 3.820
67 1HB CYS 30 1HB CYS 30 1.805 2.707 2.281
68 2HB CYS 30 2HB CYS 30 1.622 0.955 2.090
69 H TRP 31 H TRP 31 1.083 1.894 6.436
70 HA TRP 31 HA TRP 31 3.676 0.783 6.397
71 1HB TRP 31 1HB TRP 31 2.643 2.360 8.087
72 2HB TRP 31 2HB TRP 31 1.910 0.949 8.849
73 HD1 TRP 31 HD1 TRP 31 3.378 -0.195 10.629
74 HE1 TRP 31 HE1 TRP 31 5.849 -0.159 11.329
75 HE3 TRP 31 HE3 TRP 31 5.234 2.798 6.904
76 HZ2 TRP 31 HZ2 TRP 31 8.322 0.983 10.371
77 HZ3 TRP 31 HZ3 TRP 31 7.664 3.337 6.823
78 HH2 TRP 31 HH2 TRP 31 9.210 2.435 8.540
79 H LYS 32 H LYS 32 0.667 -0.951 6.670
80 HA LYS 32 HA LYS 32 2.090 -3.528 7.276
81 1HB LYS 32 1HB LYS 32 0.172 -2.867 8.716
82 2HB LYS 32 2HB LYS 32 -0.879 -2.854 7.294
83 1HG LYS 32 1HG LYS 32 -0.529 -5.270 6.973
84 2HG LYS 32 2HG LYS 32 0.677 -5.290 8.268
85 1HD LYS 32 1HD LYS 32 -1.407 -6.197 9.093
86 2HD LYS 32 2HD LYS 32 -1.068 -4.668 9.915
87 1HE LYS 32 1HE LYS 32 -2.659 -3.500 8.396
88 2HE LYS 32 2HE LYS 32 -2.971 -5.022 7.548
89 1HZ LYS 32 3HZ LYS 32 -3.861 -5.920 9.635
90 2HZ LYS 32 1HZ LYS 32 -3.570 -4.515 10.417
91 3HZ LYS 32 2HZ LYS 32 -4.676 -4.569 9.218
92 H CYS 33 H CYS 33 0.106 -1.876 4.897
93 HA CYS 33 HA CYS 33 -0.234 -3.809 2.872
94 1HB CYS 33 1HB CYS 33 -1.379 -1.737 2.882
95 2HB CYS 33 2HB CYS 33 0.111 -0.802 3.027
96 H GLY 34 H GLY 34 2.555 -1.657 3.487
97 1HA GLY 34 2HA GLY 34 4.275 -3.238 1.618
98 2HA GLY 34 1HA GLY 34 4.602 -3.284 3.346
99 H LYS 35 H LYS 35 3.849 -0.200 3.358
100 HA LYS 35 HA LYS 35 5.464 1.241 1.625
101 1HB LYS 35 1HB LYS 35 3.690 2.096 3.090
102 2HB LYS 35 2HB LYS 35 4.741 1.992 4.491
103 1HG LYS 35 1HG LYS 35 5.717 3.546 2.094
104 2HG LYS 35 2HG LYS 35 4.371 4.233 2.981
105 1HD LYS 35 1HD LYS 35 5.558 4.550 4.947
106 2HD LYS 35 2HD LYS 35 6.803 3.362 4.565
107 1HE LYS 35 1HE LYS 35 6.442 5.890 2.915
108 2HE LYS 35 2HE LYS 35 7.407 5.886 4.395
109 1HZ LYS 35 3HZ LYS 35 7.937 3.996 2.166
110 2HZ LYS 35 1HZ LYS 35 8.711 5.438 2.322
111 3HZ LYS 35 2HZ LYS 35 8.879 4.276 3.455
112 H THR 36 H THR 36 6.709 -0.624 4.224
113 HA THR 36 HA THR 36 9.281 0.562 4.622
114 HB THR 36 HB THR 36 9.945 -1.773 5.252
115 HG1 THR 36 HG1 THR 36 8.319 -3.330 5.243
116 1HG2 THR 36 3HG2 THR 36 8.868 -0.243 6.907
117 2HG2 THR 36 1HG2 THR 36 7.277 -0.887 6.452
118 3HG2 THR 36 2HG2 THR 36 8.487 -1.947 7.203
119 H GLY 37 H GLY 37 8.006 -1.127 1.815
120 1HA GLY 37 2HA GLY 37 10.338 -2.000 0.528
121 2HA GLY 37 1HA GLY 37 10.302 -0.256 0.280
122 H HIS 38 H HIS 38 7.053 -1.269 0.241
123 HA HIS 38 HA HIS 38 6.924 -2.484 -2.334
124 1HB HIS 38 1HB HIS 38 4.632 -2.534 -2.072
125 2HB HIS 38 2HB HIS 38 5.246 -2.683 -0.449
126 HD1 HIS 38 HD1 HIS 38 5.309 0.953 -1.118
127 HD2 HIS 38 HD2 HIS 38 2.366 -1.973 -0.456
128 HE1 HIS 38 HE1 HIS 38 3.183 2.206 -0.475
129 H VAL 39 H VAL 39 5.382 -1.662 -4.030
130 HA VAL 39 HA VAL 39 5.595 1.245 -4.652
131 HB VAL 39 HB VAL 39 6.024 -1.042 -6.627
132 1HG1 VAL 39 2HG1 VAL 39 6.034 1.978 -7.072
133 2HG1 VAL 39 3HG1 VAL 39 6.602 0.776 -8.247
134 3HG1 VAL 39 1HG1 VAL 39 4.909 0.795 -7.792
135 1HG2 VAL 39 2HG2 VAL 39 7.966 1.074 -5.594
136 2HG2 VAL 39 3HG2 VAL 39 8.048 -0.672 -5.276
137 3HG2 VAL 39 1HG2 VAL 39 8.299 -0.072 -6.912
138 H MET 40 H MET 40 3.793 1.994 -5.950
139 HA MET 40 HA MET 40 1.293 1.136 -5.050
140 1HB MET 40 1HB MET 40 1.904 2.766 -7.532
141 2HB MET 40 2HB MET 40 0.337 2.648 -6.736
142 1HG MET 40 1HG MET 40 2.872 3.901 -5.649
143 2HG MET 40 2HG MET 40 1.369 4.703 -6.066
144 1HE MET 40 2HE MET 40 -0.919 4.412 -4.652
145 2HE MET 40 3HE MET 40 -0.802 2.635 -4.629
146 3HE MET 40 1HE MET 40 -1.015 3.527 -3.114
147 H ALA 41 H ALA 41 3.027 -0.237 -7.736
148 HA ALA 41 HA ALA 41 0.865 -1.538 -9.090
149 1HB ALA 41 3HB ALA 41 3.138 -1.313 -10.013
150 2HB ALA 41 1HB ALA 41 3.787 -2.355 -8.723
151 3HB ALA 41 2HB ALA 41 2.659 -3.018 -9.925
152 H LYS 42 H LYS 42 2.826 -2.542 -6.235
153 HA LYS 42 HA LYS 42 1.370 -5.086 -5.896
154 1HB LYS 42 1HB LYS 42 3.761 -4.788 -5.201
155 2HB LYS 42 2HB LYS 42 3.259 -3.604 -4.005
156 1HG LYS 42 1HG LYS 42 1.625 -5.869 -3.479
157 2HG LYS 42 2HG LYS 42 3.181 -6.551 -3.923
158 1HD LYS 42 1HD LYS 42 4.299 -5.209 -2.171
159 2HD LYS 42 2HD LYS 42 2.753 -4.426 -1.767
160 1HE LYS 42 1HE LYS 42 1.795 -6.693 -1.237
161 2HE LYS 42 2HE LYS 42 3.384 -7.405 -1.536
162 1HZ LYS 42 1HZ LYS 42 4.252 -6.029 0.297
163 2HZ LYS 42 2HZ LYS 42 2.756 -5.411 0.596
164 3HZ LYS 42 3HZ LYS 42 3.054 -6.999 0.821
165 H CYS 43 H CYS 43 1.675 -2.148 -3.992
166 HA CYS 43 HA CYS 43 0.542 -1.924 -1.889
167 1HB CYS 43 1HB CYS 43 0.878 -0.074 -3.433
168 2HB CYS 43 2HB CYS 43 -0.746 -0.329 -4.111
169 HA PRO 44 HA PRO 44 -3.138 -4.778 -1.829
170 1HB PRO 44 1HB PRO 44 -2.079 -4.575 1.004
171 2HB PRO 44 2HB PRO 44 -2.901 -5.959 0.210
172 1HG PRO 44 1HG PRO 44 -0.204 -5.917 0.390
173 2HG PRO 44 2HG PRO 44 -0.983 -6.406 -1.150
174 1HD PRO 44 1HD PRO 44 0.306 -3.783 -0.446
175 2HD PRO 44 2HD PRO 44 0.321 -4.677 -1.981
176 H GLU 45 H GLU 45 -2.347 -1.887 0.179
177 HA GLU 45 HA GLU 45 -4.907 -1.428 1.296
178 1HB GLU 45 1HB GLU 45 -2.926 -0.265 2.032
179 2HB GLU 45 2HB GLU 45 -2.731 0.501 0.461
180 1HG GLU 45 1HG GLU 45 -3.594 2.036 2.185
181 2HG GLU 45 2HG GLU 45 -4.649 1.890 0.785
182 H ARG 46 H ARG 46 -3.928 -0.980 -2.045
183 HA ARG 46 HA ARG 46 -6.019 0.657 -3.075
184 1HB ARG 46 1HB ARG 46 -3.989 -0.221 -4.245
185 2HB ARG 46 2HB ARG 46 -4.699 -1.838 -4.186
186 1HG ARG 46 1HG ARG 46 -6.537 -1.061 -5.696
187 2HG ARG 46 2HG ARG 46 -5.796 0.545 -5.737
188 1HD ARG 46 1HD ARG 46 -5.195 -0.806 -7.726
189 2HD ARG 46 2HD ARG 46 -3.779 -0.367 -6.770
190 HE ARG 46 HE ARG 46 -5.114 -3.070 -6.596
191 1HH1 ARG 46 1HH1 ARG 46 -2.042 -1.314 -6.855
192 2HH1 ARG 46 2HH1 ARG 46 -1.174 -2.816 -6.722
193 1HH2 ARG 46 2HH2 ARG 46 -3.893 -4.754 -6.098
194 2HH2 ARG 46 1HH2 ARG 46 -2.151 -4.574 -5.917
195 H GLN 47 H GLN 47 -6.160 -2.636 -1.869
196 HA GLN 47 HA GLN 47 -9.026 -2.950 -2.714
197 1HB GLN 47 1HB GLN 47 -6.668 -4.859 -2.941
198 2HB GLN 47 2HB GLN 47 -8.346 -5.374 -3.132
199 1HG GLN 47 1HG GLN 47 -8.668 -3.999 -5.080
200 2HG GLN 47 2HG GLN 47 -7.126 -3.176 -4.845
201 1HE2 GLN 47 1HE2 GLN 47 -8.481 -6.442 -5.602
202 2HE2 GLN 47 2HE2 GLN 47 -7.047 -6.932 -6.494
203 H ALA 48 H ALA 48 -6.798 -3.268 -0.075
204 HA ALA 48 HA ALA 48 -8.077 -5.325 1.401
205 1HB ALA 48 1HB ALA 48 -6.173 -3.124 2.304
206 2HB ALA 48 2HB ALA 48 -6.507 -4.644 3.162
207 3HB ALA 48 3HB ALA 48 -5.706 -4.687 1.588
208 H GLY 49 H GLY 49 -10.225 -3.697 0.764
209 1HA GLY 49 2HA GLY 49 -11.733 -3.485 3.108
210 2HA GLY 49 1HA GLY 49 -12.112 -2.647 1.601
No H/Q in entry = 210
Start of MODEL 19
1 H1 ARG 23 3H ARG 23 -3.511 0.477 -2.081
2 H2 ARG 23 2H ARG 23 -3.250 -0.617 -3.275
3 H3 ARG 23 1H ARG 23 -2.832 0.951 -3.489
4 HA ARG 23 HA ARG 23 -4.818 0.573 -4.727
5 1HB ARG 23 1HB ARG 23 -5.799 -0.663 -2.142
6 2HB ARG 23 2HB ARG 23 -6.933 0.039 -3.303
7 1HG ARG 23 1HG ARG 23 -6.008 -1.373 -5.110
8 2HG ARG 23 2HG ARG 23 -4.921 -2.161 -3.960
9 1HD ARG 23 1HD ARG 23 -7.958 -2.132 -3.683
10 2HD ARG 23 2HD ARG 23 -7.069 -3.393 -4.534
11 HE ARG 23 HE ARG 23 -5.841 -3.863 -2.403
12 1HH1 ARG 23 2HH1 ARG 23 -9.083 -2.468 -2.068
13 2HH1 ARG 23 1HH1 ARG 23 -9.226 -3.175 -0.461
14 1HH2 ARG 23 2HH2 ARG 23 -6.223 -4.755 -0.543
15 2HH2 ARG 23 1HH2 ARG 23 -7.773 -4.536 0.290
16 H ALA 24 H ALA 24 -5.424 1.741 -1.354
17 HA ALA 24 HA ALA 24 -5.882 4.490 -2.385
18 1HB ALA 24 3HB ALA 24 -8.075 3.394 -2.365
19 2HB ALA 24 1HB ALA 24 -7.827 2.878 -0.683
20 3HB ALA 24 2HB ALA 24 -7.970 4.606 -1.076
21 HA PRO 25 HA PRO 25 -3.006 3.554 1.139
22 1HB PRO 25 1HB PRO 25 -1.094 5.534 0.696
23 2HB PRO 25 2HB PRO 25 -1.142 3.938 -0.103
24 1HG PRO 25 1HG PRO 25 -2.225 6.558 -1.149
25 2HG PRO 25 2HG PRO 25 -1.210 5.346 -2.001
26 1HD PRO 25 1HD PRO 25 -3.871 5.388 -2.366
27 2HD PRO 25 2HD PRO 25 -3.024 3.821 -2.175
28 H ARG 26 H ARG 26 -4.559 6.625 0.548
29 HA ARG 26 HA ARG 26 -3.798 8.129 2.792
30 1HB ARG 26 1HB ARG 26 -5.638 9.546 2.288
31 2HB ARG 26 2HB ARG 26 -5.021 8.931 0.775
32 1HG ARG 26 1HG ARG 26 -7.066 8.223 0.208
33 2HG ARG 26 2HG ARG 26 -7.076 7.083 1.541
34 1HD ARG 26 1HD ARG 26 -8.055 9.969 1.595
35 2HD ARG 26 2HD ARG 26 -9.048 8.504 1.598
36 HE ARG 26 HE ARG 26 -7.136 8.775 3.840
37 1HH1 ARG 26 2HH1 ARG 26 -10.462 9.382 2.912
38 2HH1 ARG 26 1HH1 ARG 26 -10.987 9.458 4.573
39 1HH2 ARG 26 2HH2 ARG 26 -7.850 8.870 5.878
40 2HH2 ARG 26 1HH2 ARG 26 -9.531 9.178 6.217
41 H ARG 27 H ARG 27 -5.648 5.273 2.997
42 HA ARG 27 HA ARG 27 -6.870 6.025 5.613
43 1HB ARG 27 1HB ARG 27 -8.165 4.032 5.448
44 2HB ARG 27 2HB ARG 27 -8.236 4.875 3.903
45 1HG ARG 27 1HG ARG 27 -6.490 3.284 3.017
46 2HG ARG 27 2HG ARG 27 -6.558 2.397 4.542
47 1HD ARG 27 1HD ARG 27 -8.856 1.791 4.196
48 2HD ARG 27 2HD ARG 27 -9.015 2.903 2.822
49 HE ARG 27 HE ARG 27 -7.122 1.393 1.783
50 1HH1 ARG 27 1HH2 ARG 27 -9.932 0.062 3.530
51 2HH1 ARG 27 2HH2 ARG 27 -9.815 -1.390 2.531
52 1HH2 ARG 27 1HH1 ARG 27 -7.176 -0.377 0.718
53 2HH2 ARG 27 2HH1 ARG 27 -8.373 -1.661 1.088
54 H GLN 28 H GLN 28 -3.914 4.775 4.676
55 HA GLN 28 HA GLN 28 -3.449 3.572 7.375
56 1HB GLN 28 1HB GLN 28 -4.177 1.903 5.462
57 2HB GLN 28 2HB GLN 28 -2.556 2.177 4.836
58 1HG GLN 28 1HG GLN 28 -1.837 1.525 7.337
59 2HG GLN 28 2HG GLN 28 -3.452 0.821 7.392
60 1HE2 GLN 28 1HE2 GLN 28 -3.927 -0.793 5.485
61 2HE2 GLN 28 2HE2 GLN 28 -2.544 -1.736 4.952
62 H GLY 29 H GLY 29 -2.137 5.334 4.631
63 1HA GLY 29 2HA GLY 29 0.461 5.881 5.766
64 2HA GLY 29 1HA GLY 29 -0.052 6.104 4.087
65 H CYS 30 H CYS 30 -0.854 3.226 3.937
66 HA CYS 30 HA CYS 30 -0.230 1.097 3.858
67 1HB CYS 30 1HB CYS 30 1.675 2.619 2.098
68 2HB CYS 30 2HB CYS 30 1.736 0.847 2.172
69 H TRP 31 H TRP 31 1.057 2.376 6.274
70 HA TRP 31 HA TRP 31 3.660 1.390 6.647
71 1HB TRP 31 1HB TRP 31 1.658 2.758 8.204
72 2HB TRP 31 2HB TRP 31 2.323 1.474 9.188
73 HD1 TRP 31 HD1 TRP 31 5.165 1.412 9.136
74 HE1 TRP 31 HE1 TRP 31 6.792 3.385 9.392
75 HE3 TRP 31 HE3 TRP 31 1.983 5.244 7.924
76 HZ2 TRP 31 HZ2 TRP 31 6.741 6.246 9.029
77 HZ3 TRP 31 HZ3 TRP 31 2.810 7.593 7.877
78 HH2 TRP 31 HH2 TRP 31 5.182 8.100 8.419
79 H LYS 32 H LYS 32 0.839 -0.509 6.608
80 HA LYS 32 HA LYS 32 2.336 -2.884 7.664
81 1HB LYS 32 1HB LYS 32 0.468 -1.957 9.109
82 2HB LYS 32 2HB LYS 32 -0.664 -2.412 7.832
83 1HG LYS 32 1HG LYS 32 -0.111 -4.775 8.132
84 2HG LYS 32 2HG LYS 32 1.250 -4.368 9.182
85 1HD LYS 32 1HD LYS 32 -0.544 -5.122 10.605
86 2HD LYS 32 2HD LYS 32 -0.309 -3.398 10.847
87 1HE LYS 32 1HE LYS 32 -2.593 -3.414 10.730
88 2HE LYS 32 2HE LYS 32 -2.232 -3.160 9.026
89 1HZ LYS 32 3HZ LYS 32 -2.405 -5.691 8.834
90 2HZ LYS 32 1HZ LYS 32 -3.029 -5.693 10.344
91 3HZ LYS 32 2HZ LYS 32 -3.805 -4.896 9.136
92 H CYS 33 H CYS 33 0.224 -1.606 5.163
93 HA CYS 33 HA CYS 33 -0.173 -3.833 3.468
94 1HB CYS 33 1HB CYS 33 -1.236 -1.636 3.202
95 2HB CYS 33 2HB CYS 33 0.337 -0.883 2.931
96 H GLY 34 H GLY 34 2.602 -1.566 3.653
97 1HA GLY 34 2HA GLY 34 4.234 -3.272 1.839
98 2HA GLY 34 1HA GLY 34 4.706 -3.205 3.533
99 H LYS 35 H LYS 35 3.867 -0.139 3.427
100 HA LYS 35 HA LYS 35 5.371 1.249 1.529
101 1HB LYS 35 1HB LYS 35 3.666 2.146 3.057
102 2HB LYS 35 2HB LYS 35 4.787 2.077 4.403
103 1HG LYS 35 1HG LYS 35 5.604 3.601 1.922
104 2HG LYS 35 2HG LYS 35 4.289 4.269 2.856
105 1HD LYS 35 1HD LYS 35 7.064 3.669 3.968
106 2HD LYS 35 2HD LYS 35 6.493 5.243 3.448
107 1HE LYS 35 1HE LYS 35 5.365 3.608 5.769
108 2HE LYS 35 2HE LYS 35 6.453 4.989 5.894
109 1HZ LYS 35 1HZ LYS 35 4.686 6.334 4.796
110 2HZ LYS 35 2HZ LYS 35 3.662 5.045 4.887
111 3HZ LYS 35 3HZ LYS 35 4.232 5.742 6.250
112 H THR 36 H THR 36 6.686 -0.477 4.197
113 HA THR 36 HA THR 36 9.288 0.642 4.460
114 HB THR 36 HB THR 36 9.899 -1.677 5.205
115 HG1 THR 36 HG1 THR 36 8.236 -3.189 5.288
116 1HG2 THR 36 1HG2 THR 36 8.872 -0.030 6.788
117 2HG2 THR 36 2HG2 THR 36 7.264 -0.676 6.391
118 3HG2 THR 36 3HG2 THR 36 8.472 -1.710 7.179
119 H GLY 37 H GLY 37 7.942 -1.138 1.746
120 1HA GLY 37 2HA GLY 37 10.225 -2.212 0.530
121 2HA GLY 37 1HA GLY 37 10.293 -0.488 0.180
122 H HIS 38 H HIS 38 7.001 -1.558 0.211
123 HA HIS 38 HA HIS 38 6.885 -2.651 -2.443
124 1HB HIS 38 1HB HIS 38 4.614 -2.868 -2.116
125 2HB HIS 38 2HB HIS 38 5.279 -3.061 -0.513
126 HD1 HIS 38 HD1 HIS 38 5.089 0.603 -1.043
127 HD2 HIS 38 HD2 HIS 38 2.408 -2.548 -0.294
128 HE1 HIS 38 HE1 HIS 38 2.929 1.678 -0.215
129 H VAL 39 H VAL 39 5.188 -1.710 -4.028
130 HA VAL 39 HA VAL 39 5.477 1.235 -4.430
131 HB VAL 39 HB VAL 39 5.795 -0.859 -6.624
132 1HG1 VAL 39 2HG1 VAL 39 6.120 2.179 -6.676
133 2HG1 VAL 39 3HG1 VAL 39 6.547 1.080 -8.003
134 3HG1 VAL 39 1HG1 VAL 39 4.868 1.237 -7.522
135 1HG2 VAL 39 3HG2 VAL 39 7.909 0.910 -5.314
136 2HG2 VAL 39 1HG2 VAL 39 7.829 -0.866 -5.248
137 3HG2 VAL 39 2HG2 VAL 39 8.153 -0.065 -6.781
138 H MET 40 H MET 40 3.704 2.191 -5.520
139 HA MET 40 HA MET 40 1.119 1.208 -4.978
140 1HB MET 40 1HB MET 40 2.008 3.294 -6.997
141 2HB MET 40 2HB MET 40 0.335 3.011 -6.494
142 1HG MET 40 1HG MET 40 0.971 3.480 -4.134
143 2HG MET 40 2HG MET 40 2.613 3.858 -4.665
144 1HE MET 40 1HE MET 40 1.012 5.813 -2.860
145 2HE MET 40 2HE MET 40 2.618 6.207 -3.515
146 3HE MET 40 3HE MET 40 1.289 7.376 -3.661
147 H ALA 41 H ALA 41 3.124 0.485 -7.735
148 HA ALA 41 HA ALA 41 1.143 -0.649 -9.476
149 1HB ALA 41 3HB ALA 41 3.383 0.131 -10.187
150 2HB ALA 41 1HB ALA 41 4.143 -1.158 -9.222
151 3HB ALA 41 2HB ALA 41 3.123 -1.566 -10.619
152 H LYS 42 H LYS 42 1.979 -1.769 -6.417
153 HA LYS 42 HA LYS 42 0.843 -4.443 -7.057
154 1HB LYS 42 1HB LYS 42 3.397 -4.555 -6.993
155 2HB LYS 42 2HB LYS 42 3.319 -4.056 -5.314
156 1HG LYS 42 1HG LYS 42 3.604 -6.459 -5.473
157 2HG LYS 42 2HG LYS 42 2.058 -6.087 -4.727
158 1HD LYS 42 1HD LYS 42 1.901 -7.977 -6.246
159 2HD LYS 42 2HD LYS 42 0.860 -6.684 -6.803
160 1HE LYS 42 1HE LYS 42 3.673 -6.850 -7.915
161 2HE LYS 42 2HE LYS 42 2.531 -8.102 -8.392
162 1HZ LYS 42 1HZ LYS 42 1.039 -6.391 -9.236
163 2HZ LYS 42 2HZ LYS 42 2.074 -5.188 -8.837
164 3HZ LYS 42 3HZ LYS 42 2.487 -6.286 -9.965
165 H CYS 43 H CYS 43 1.773 -2.237 -4.465
166 HA CYS 43 HA CYS 43 0.847 -2.350 -2.204
167 1HB CYS 43 1HB CYS 43 1.048 -0.322 -3.510
168 2HB CYS 43 2HB CYS 43 -0.586 -0.549 -4.169
169 HA PRO 44 HA PRO 44 -2.713 -5.172 -2.943
170 1HB PRO 44 1HB PRO 44 -2.301 -6.999 -0.933
171 2HB PRO 44 2HB PRO 44 -1.373 -6.979 -2.462
172 1HG PRO 44 1HG PRO 44 -0.576 -5.773 0.209
173 2HG PRO 44 2HG PRO 44 0.396 -6.833 -0.863
174 1HD PRO 44 1HD PRO 44 0.671 -4.135 -0.905
175 2HD PRO 44 2HD PRO 44 0.755 -5.089 -2.415
176 H GLU 45 H GLU 45 -1.902 -3.727 0.185
177 HA GLU 45 HA GLU 45 -3.070 -2.853 1.862
178 1HB GLU 45 1HB GLU 45 -3.758 -1.753 -0.504
179 2HB GLU 45 2HB GLU 45 -5.362 -2.156 0.092
180 1HG GLU 45 1HG GLU 45 -4.957 -0.817 2.124
181 2HG GLU 45 2HG GLU 45 -3.270 -0.548 1.642
182 H ARG 46 H ARG 46 -4.187 -5.737 0.973
183 HA ARG 46 HA ARG 46 -6.715 -6.098 2.268
184 1HB ARG 46 1HB ARG 46 -4.321 -7.956 1.984
185 2HB ARG 46 2HB ARG 46 -5.904 -8.488 2.528
186 1HG ARG 46 1HG ARG 46 -5.787 -7.074 -0.143
187 2HG ARG 46 2HG ARG 46 -5.058 -8.666 -0.019
188 1HD ARG 46 1HD ARG 46 -7.277 -8.957 -0.794
189 2HD ARG 46 2HD ARG 46 -7.175 -9.604 0.847
190 HE ARG 46 HE ARG 46 -8.124 -6.888 0.972
191 1HH1 ARG 46 2HH2 ARG 46 -9.327 -10.022 -0.075
192 2HH1 ARG 46 1HH2 ARG 46 -10.983 -9.539 0.174
193 1HH2 ARG 46 2HH1 ARG 46 -10.122 -6.362 1.229
194 2HH2 ARG 46 1HH1 ARG 46 -11.454 -7.479 0.917
195 H GLN 47 H GLN 47 -3.640 -5.488 3.610
196 HA GLN 47 HA GLN 47 -3.969 -6.262 6.327
197 1HB GLN 47 1HB GLN 47 -2.372 -4.092 4.911
198 2HB GLN 47 2HB GLN 47 -2.201 -4.396 6.634
199 1HG GLN 47 1HG GLN 47 -1.820 -6.634 4.582
200 2HG GLN 47 2HG GLN 47 -0.536 -5.534 5.014
201 1HE2 GLN 47 2HE2 GLN 47 0.622 -7.507 5.770
202 2HE2 GLN 47 1HE2 GLN 47 0.238 -8.111 7.376
203 H ALA 48 H ALA 48 -5.613 -3.719 4.609
204 HA ALA 48 HA ALA 48 -6.916 -2.956 7.187
205 1HB ALA 48 2HB ALA 48 -5.449 -1.115 6.609
206 2HB ALA 48 1HB ALA 48 -7.128 -0.634 6.345
207 3HB ALA 48 3HB ALA 48 -6.117 -1.053 4.947
208 H GLY 49 H GLY 49 -7.300 -3.633 3.722
209 1HA GLY 49 2HA GLY 49 -10.230 -3.276 3.753
210 2HA GLY 49 1HA GLY 49 -9.681 -4.945 3.906
No H/Q in entry = 210
Start of MODEL 20
1 H1 ARG 23 2H ARG 23 -7.825 -1.026 0.974
2 H2 ARG 23 1H ARG 23 -7.964 -1.004 2.603
3 H3 ARG 23 3H ARG 23 -8.738 -2.149 1.745
4 HA ARG 23 HA ARG 23 -10.166 -0.605 0.696
5 1HB ARG 23 1HB ARG 23 -11.651 -0.198 2.436
6 2HB ARG 23 2HB ARG 23 -10.748 -1.615 2.936
7 1HG ARG 23 1HG ARG 23 -9.270 0.118 4.294
8 2HG ARG 23 2HG ARG 23 -10.620 1.222 4.002
9 1HD ARG 23 1HD ARG 23 -11.114 0.318 6.088
10 2HD ARG 23 2HD ARG 23 -12.115 -0.666 5.001
11 HE ARG 23 HE ARG 23 -9.622 -1.975 5.221
12 1HH1 ARG 23 2HH2 ARG 23 -12.358 -1.408 7.329
13 2HH1 ARG 23 1HH2 ARG 23 -11.846 -2.640 8.452
14 1HH2 ARG 23 2HH1 ARG 23 -8.906 -3.290 6.753
15 2HH2 ARG 23 1HH1 ARG 23 -9.945 -3.757 8.091
16 H ALA 24 H ALA 24 -7.773 1.128 2.749
17 HA ALA 24 HA ALA 24 -8.181 3.616 1.249
18 1HB ALA 24 3HB ALA 24 -9.107 3.374 4.144
19 2HB ALA 24 2HB ALA 24 -10.122 3.701 2.723
20 3HB ALA 24 1HB ALA 24 -8.923 4.896 3.245
21 HA PRO 25 HA PRO 25 -3.961 2.980 2.977
22 1HB PRO 25 1HB PRO 25 -2.502 4.271 1.032
23 2HB PRO 25 2HB PRO 25 -3.148 2.612 0.865
24 1HG PRO 25 1HG PRO 25 -4.362 5.181 -0.170
25 2HG PRO 25 2HG PRO 25 -4.118 3.633 -1.042
26 1HD PRO 25 1HD PRO 25 -6.506 4.294 0.067
27 2HD PRO 25 2HD PRO 25 -5.917 2.605 0.090
28 H ARG 26 H ARG 26 -5.472 6.052 2.168
29 HA ARG 26 HA ARG 26 -3.605 7.881 3.190
30 1HB ARG 26 1HB ARG 26 -5.551 8.548 1.894
31 2HB ARG 26 2HB ARG 26 -6.650 7.958 3.139
32 1HG ARG 26 1HG ARG 26 -6.526 10.396 3.153
33 2HG ARG 26 2HG ARG 26 -5.962 9.726 4.675
34 1HD ARG 26 1HD ARG 26 -3.560 10.021 3.779
35 2HD ARG 26 2HD ARG 26 -4.271 10.861 2.407
36 HE ARG 26 HE ARG 26 -4.731 12.706 3.756
37 1HH1 ARG 26 2HH2 ARG 26 -3.721 10.094 5.910
38 2HH1 ARG 26 1HH2 ARG 26 -3.507 11.196 7.245
39 1HH2 ARG 26 1HH1 ARG 26 -4.470 14.006 5.529
40 2HH2 ARG 26 2HH1 ARG 26 -3.939 13.328 7.040
41 H ARG 27 H ARG 27 -5.782 5.850 5.079
42 HA ARG 27 HA ARG 27 -5.352 7.277 7.589
43 1HB ARG 27 1HB ARG 27 -6.786 5.722 8.549
44 2HB ARG 27 2HB ARG 27 -7.365 5.830 6.893
45 1HG ARG 27 1HG ARG 27 -5.891 3.711 6.456
46 2HG ARG 27 2HG ARG 27 -5.775 3.597 8.218
47 1HD ARG 27 1HD ARG 27 -8.323 3.694 8.276
48 2HD ARG 27 2HD ARG 27 -8.304 3.475 6.526
49 HE ARG 27 HE ARG 27 -7.869 1.479 8.587
50 1HH1 ARG 27 1HH2 ARG 27 -6.885 2.136 5.280
51 2HH1 ARG 27 2HH2 ARG 27 -6.783 0.441 4.881
52 1HH2 ARG 27 1HH1 ARG 27 -7.691 -0.643 8.031
53 2HH2 ARG 27 2HH1 ARG 27 -7.289 -1.120 6.408
54 H GLN 28 H GLN 28 -3.270 5.349 5.878
55 HA GLN 28 HA GLN 28 -1.972 4.068 8.259
56 1HB GLN 28 1HB GLN 28 -3.708 2.737 7.068
57 2HB GLN 28 2HB GLN 28 -2.815 2.921 5.561
58 1HG GLN 28 1HG GLN 28 -0.959 1.569 6.503
59 2HG GLN 28 2HG GLN 28 -1.829 1.452 8.046
60 1HE2 GLN 28 2HE2 GLN 28 -2.010 0.604 4.555
61 2HE2 GLN 28 1HE2 GLN 28 -3.254 -0.613 4.762
62 H GLY 29 H GLY 29 -1.436 5.661 5.167
63 1HA GLY 29 2HA GLY 29 1.389 5.935 5.419
64 2HA GLY 29 1HA GLY 29 0.440 6.120 3.936
65 H CYS 30 H CYS 30 -0.579 3.408 3.918
66 HA CYS 30 HA CYS 30 -0.171 1.218 3.616
67 1HB CYS 30 1HB CYS 30 1.722 2.678 1.795
68 2HB CYS 30 2HB CYS 30 1.757 0.914 1.826
69 H TRP 31 H TRP 31 1.447 2.297 6.032
70 HA TRP 31 HA TRP 31 3.900 0.908 6.076
71 1HB TRP 31 1HB TRP 31 2.925 2.716 7.650
72 2HB TRP 31 2HB TRP 31 2.256 1.372 8.569
73 HD1 TRP 31 HD1 TRP 31 3.859 0.472 10.380
74 HE1 TRP 31 HE1 TRP 31 6.366 0.643 10.913
75 HE3 TRP 31 HE3 TRP 31 5.409 2.980 6.187
76 HZ2 TRP 31 HZ2 TRP 31 8.741 1.740 9.682
77 HZ3 TRP 31 HZ3 TRP 31 7.807 3.564 5.888
78 HH2 TRP 31 HH2 TRP 31 9.474 2.962 7.629
79 H LYS 32 H LYS 32 0.706 -0.311 7.017
80 HA LYS 32 HA LYS 32 1.517 -3.024 7.722
81 1HB LYS 32 1HB LYS 32 -0.627 -1.917 8.412
82 2HB LYS 32 2HB LYS 32 -1.121 -1.881 6.726
83 1HG LYS 32 1HG LYS 32 -0.895 -4.505 6.820
84 2HG LYS 32 2HG LYS 32 -0.825 -4.272 8.569
85 1HD LYS 32 1HD LYS 32 -3.127 -4.690 8.057
86 2HD LYS 32 2HD LYS 32 -3.011 -2.948 8.343
87 1HE LYS 32 1HE LYS 32 -2.543 -2.969 5.671
88 2HE LYS 32 2HE LYS 32 -3.449 -4.477 5.762
89 1HZ LYS 32 3HZ LYS 32 -4.406 -1.873 6.829
90 2HZ LYS 32 1HZ LYS 32 -4.776 -2.395 5.345
91 3HZ LYS 32 2HZ LYS 32 -5.341 -3.228 6.636
92 H CYS 33 H CYS 33 0.264 -1.514 4.780
93 HA CYS 33 HA CYS 33 -0.076 -3.758 3.114
94 1HB CYS 33 1HB CYS 33 -1.040 -1.464 2.922
95 2HB CYS 33 2HB CYS 33 0.559 -0.850 2.469
96 H GLY 34 H GLY 34 2.751 -1.730 3.669
97 1HA GLY 34 2HA GLY 34 4.512 -3.578 2.087
98 2HA GLY 34 1HA GLY 34 4.771 -3.278 3.802
99 H LYS 35 H LYS 35 4.010 -0.264 3.223
100 HA LYS 35 HA LYS 35 5.686 0.807 1.282
101 1HB LYS 35 1HB LYS 35 3.836 1.964 2.512
102 2HB LYS 35 2HB LYS 35 4.895 2.132 3.906
103 1HG LYS 35 1HG LYS 35 4.833 4.222 2.725
104 2HG LYS 35 2HG LYS 35 6.429 3.562 2.524
105 1HD LYS 35 1HD LYS 35 4.935 2.610 0.264
106 2HD LYS 35 2HD LYS 35 4.370 4.240 0.549
107 1HE LYS 35 1HE LYS 35 6.133 4.532 -0.957
108 2HE LYS 35 2HE LYS 35 6.829 4.968 0.604
109 1HZ LYS 35 1HZ LYS 35 7.784 2.677 0.682
110 2HZ LYS 35 2HZ LYS 35 7.212 2.376 -0.835
111 3HZ LYS 35 3HZ LYS 35 8.337 3.533 -0.595
112 H THR 36 H THR 36 6.817 -0.483 4.248
113 HA THR 36 HA THR 36 9.398 0.658 4.544
114 HB THR 36 HB THR 36 10.023 -1.631 5.374
115 HG1 THR 36 HG1 THR 36 8.378 -3.161 5.465
116 1HG2 THR 36 1HG2 THR 36 8.971 0.018 6.897
117 2HG2 THR 36 2HG2 THR 36 7.360 -0.585 6.452
118 3HG2 THR 36 3HG2 THR 36 8.509 -1.641 7.300
119 H GLY 37 H GLY 37 8.169 -1.384 1.954
120 1HA GLY 37 2HA GLY 37 10.281 -2.373 0.572
121 2HA GLY 37 1HA GLY 37 10.548 -0.641 0.376
122 H HIS 38 H HIS 38 7.153 -1.521 0.414
123 HA HIS 38 HA HIS 38 6.965 -2.328 -2.301
124 1HB HIS 38 1HB HIS 38 4.805 -2.716 -1.958
125 2HB HIS 38 2HB HIS 38 5.318 -2.717 -0.297
126 HD1 HIS 38 HD1 HIS 38 4.828 0.860 -1.272
127 HD2 HIS 38 HD2 HIS 38 2.399 -2.456 -0.427
128 HE1 HIS 38 HE1 HIS 38 2.487 1.773 -0.849
129 H VAL 39 H VAL 39 5.635 -1.403 -3.939
130 HA VAL 39 HA VAL 39 5.544 1.575 -4.144
131 HB VAL 39 HB VAL 39 6.193 -0.416 -6.364
132 1HG1 VAL 39 1HG1 VAL 39 5.900 2.620 -6.477
133 2HG1 VAL 39 2HG1 VAL 39 6.578 1.612 -7.770
134 3HG1 VAL 39 3HG1 VAL 39 4.892 1.419 -7.327
135 1HG2 VAL 39 1HG2 VAL 39 7.901 1.764 -5.079
136 2HG2 VAL 39 2HG2 VAL 39 8.156 0.010 -4.934
137 3HG2 VAL 39 3HG2 VAL 39 8.359 0.796 -6.498
138 H MET 40 H MET 40 3.672 2.328 -5.306
139 HA MET 40 HA MET 40 1.294 1.104 -4.510
140 1HB MET 40 1HB MET 40 1.624 3.150 -6.727
141 2HB MET 40 2HB MET 40 0.138 2.785 -5.851
142 1HG MET 40 1HG MET 40 2.657 4.075 -4.770
143 2HG MET 40 2HG MET 40 1.071 4.800 -4.946
144 1HE MET 40 1HE MET 40 -1.014 4.269 -3.389
145 2HE MET 40 2HE MET 40 -0.894 2.515 -3.678
146 3HE MET 40 3HE MET 40 -0.973 3.139 -2.019
147 H ALA 41 H ALA 41 3.069 0.299 -7.375
148 HA ALA 41 HA ALA 41 1.003 -0.885 -8.947
149 1HB ALA 41 1HB ALA 41 3.269 -0.375 -9.771
150 2HB ALA 41 2HB ALA 41 3.959 -1.594 -8.672
151 3HB ALA 41 3HB ALA 41 2.884 -2.091 -9.995
152 H LYS 42 H LYS 42 2.769 -2.136 -6.099
153 HA LYS 42 HA LYS 42 1.557 -4.838 -6.312
154 1HB LYS 42 1HB LYS 42 3.881 -4.373 -5.330
155 2HB LYS 42 2HB LYS 42 3.078 -3.609 -3.962
156 1HG LYS 42 1HG LYS 42 1.730 -5.955 -3.904
157 2HG LYS 42 2HG LYS 42 3.114 -6.503 -4.834
158 1HD LYS 42 1HD LYS 42 3.613 -7.041 -2.601
159 2HD LYS 42 2HD LYS 42 4.586 -5.593 -2.911
160 1HE LYS 42 1HE LYS 42 2.897 -4.198 -1.763
161 2HE LYS 42 2HE LYS 42 1.819 -5.589 -1.610
162 1HZ LYS 42 1HZ LYS 42 4.454 -5.384 -0.262
163 2HZ LYS 42 2HZ LYS 42 2.991 -5.178 0.466
164 3HZ LYS 42 3HZ LYS 42 3.415 -6.636 -0.135
165 H CYS 43 H CYS 43 1.408 -2.111 -4.107
166 HA CYS 43 HA CYS 43 0.141 -2.381 -2.028
167 1HB CYS 43 1HB CYS 43 0.527 -0.264 -3.137
168 2HB CYS 43 2HB CYS 43 -0.958 -0.461 -4.091
169 HA PRO 44 HA PRO 44 -3.578 -5.065 -2.676
170 1HB PRO 44 1HB PRO 44 -2.783 -5.477 0.212
171 2HB PRO 44 2HB PRO 44 -3.482 -6.656 -0.945
172 1HG PRO 44 1HG PRO 44 -0.828 -6.687 -0.423
173 2HG PRO 44 2HG PRO 44 -1.402 -6.842 -2.118
174 1HD PRO 44 1HD PRO 44 -0.330 -4.396 -0.713
175 2HD PRO 44 2HD PRO 44 0.020 -4.995 -2.356
176 H GLU 45 H GLU 45 -2.673 -2.609 -0.251
177 HA GLU 45 HA GLU 45 -5.137 -2.244 1.026
178 1HB GLU 45 1HB GLU 45 -2.998 -1.401 1.801
179 2HB GLU 45 2HB GLU 45 -2.991 -0.192 0.517
180 1HG GLU 45 1HG GLU 45 -3.610 0.797 2.619
181 2HG GLU 45 2HG GLU 45 -4.960 0.892 1.501
182 H ARG 46 H ARG 46 -4.353 -1.327 -2.222
183 HA ARG 46 HA ARG 46 -6.340 0.649 -2.785
184 1HB ARG 46 1HB ARG 46 -5.220 -1.626 -4.470
185 2HB ARG 46 2HB ARG 46 -6.271 -0.360 -5.109
186 1HG ARG 46 1HG ARG 46 -4.659 1.382 -4.529
187 2HG ARG 46 2HG ARG 46 -3.573 0.195 -3.799
188 1HD ARG 46 1HD ARG 46 -4.424 0.199 -6.725
189 2HD ARG 46 2HD ARG 46 -2.903 0.873 -6.105
190 HE ARG 46 HE ARG 46 -2.978 -1.735 -5.135
191 1HH1 ARG 46 1HH1 ARG 46 -2.795 -0.309 -8.338
192 2HH1 ARG 46 2HH1 ARG 46 -1.968 -1.697 -8.995
193 1HH2 ARG 46 2HH2 ARG 46 -1.886 -3.427 -6.027
194 2HH2 ARG 46 1HH2 ARG 46 -1.302 -3.310 -7.659
195 H GLN 47 H GLN 47 -6.825 -2.727 -2.003
196 HA GLN 47 HA GLN 47 -9.773 -2.329 -2.266
197 1HB GLN 47 1HB GLN 47 -8.197 -4.663 -3.426
198 2HB GLN 47 2HB GLN 47 -9.934 -4.714 -3.137
199 1HG GLN 47 1HG GLN 47 -8.574 -2.719 -5.004
200 2HG GLN 47 2HG GLN 47 -9.285 -4.244 -5.499
201 1HE2 GLN 47 1HE2 GLN 47 -10.052 -0.972 -4.338
202 2HE2 GLN 47 2HE2 GLN 47 -11.769 -1.087 -4.740
203 H ALA 48 H ALA 48 -7.619 -5.070 -1.351
204 HA ALA 48 HA ALA 48 -9.157 -5.731 1.019
205 1HB ALA 48 3HB ALA 48 -7.908 -7.388 -0.338
206 2HB ALA 48 2HB ALA 48 -7.353 -7.383 1.343
207 3HB ALA 48 1HB ALA 48 -6.377 -6.587 0.089
208 H GLY 49 H GLY 49 -7.848 -5.985 3.187
209 1HA GLY 49 2HA GLY 49 -5.819 -3.951 3.767
210 2HA GLY 49 1HA GLY 49 -6.521 -5.104 4.904
No H/Q in entry = 210
Start of MODEL 21
1 H1 ARG 23 3H ARG 23 -7.798 -1.323 3.108
2 H2 ARG 23 2H ARG 23 -8.696 -2.627 2.721
3 H3 ARG 23 1H ARG 23 -7.864 -1.824 1.552
4 HA ARG 23 HA ARG 23 -10.126 -1.288 1.318
5 1HB ARG 23 1HB ARG 23 -10.283 -1.645 4.060
6 2HB ARG 23 2HB ARG 23 -10.453 0.088 3.935
7 1HG ARG 23 1HG ARG 23 -12.591 -1.206 3.922
8 2HG ARG 23 2HG ARG 23 -12.410 -0.130 2.542
9 1HD ARG 23 1HD ARG 23 -13.399 -2.438 2.085
10 2HD ARG 23 2HD ARG 23 -12.094 -1.904 1.026
11 HE ARG 23 HE ARG 23 -11.034 -3.470 3.227
12 1HH1 ARG 23 2HH1 ARG 23 -12.734 -3.990 0.180
13 2HH1 ARG 23 1HH1 ARG 23 -11.859 -5.493 -0.078
14 1HH2 ARG 23 1HH2 ARG 23 -10.031 -5.265 2.786
15 2HH2 ARG 23 2HH2 ARG 23 -10.509 -6.283 1.425
16 H ALA 24 H ALA 24 -8.143 0.947 3.381
17 HA ALA 24 HA ALA 24 -7.980 2.820 1.107
18 1HB ALA 24 3HB ALA 24 -9.272 3.542 3.773
19 2HB ALA 24 2HB ALA 24 -10.091 3.425 2.201
20 3HB ALA 24 1HB ALA 24 -8.875 4.685 2.471
21 HA PRO 25 HA PRO 25 -3.991 2.904 3.251
22 1HB PRO 25 1HB PRO 25 -2.535 4.428 1.506
23 2HB PRO 25 2HB PRO 25 -3.035 2.745 1.160
24 1HG PRO 25 1HG PRO 25 -4.405 5.295 0.264
25 2HG PRO 25 2HG PRO 25 -3.943 3.876 -0.730
26 1HD PRO 25 1HD PRO 25 -6.459 4.180 0.250
27 2HD PRO 25 2HD PRO 25 -5.693 2.565 0.158
28 H ARG 26 H ARG 26 -5.850 5.763 2.491
29 HA ARG 26 HA ARG 26 -4.288 7.781 3.708
30 1HB ARG 26 1HB ARG 26 -6.208 9.172 3.501
31 2HB ARG 26 2HB ARG 26 -6.161 8.117 2.111
32 1HG ARG 26 1HG ARG 26 -8.224 7.342 2.526
33 2HG ARG 26 2HG ARG 26 -7.786 6.811 4.142
34 1HD ARG 26 1HD ARG 26 -8.708 9.609 3.363
35 2HD ARG 26 2HD ARG 26 -9.673 8.369 4.183
36 HE ARG 26 HE ARG 26 -7.210 8.997 5.614
37 1HH1 ARG 26 1HH2 ARG 26 -10.476 10.203 5.206
38 2HH1 ARG 26 2HH2 ARG 26 -10.448 11.022 6.745
39 1HH2 ARG 26 2HH1 ARG 26 -7.240 10.027 7.524
40 2HH2 ARG 26 1HH1 ARG 26 -8.646 10.924 8.029
41 H ARG 27 H ARG 27 -5.511 5.269 5.423
42 HA ARG 27 HA ARG 27 -5.630 6.820 7.994
43 1HB ARG 27 1HB ARG 27 -7.200 5.295 8.825
44 2HB ARG 27 2HB ARG 27 -7.713 5.582 7.166
45 1HG ARG 27 1HG ARG 27 -6.315 3.396 6.627
46 2HG ARG 27 2HG ARG 27 -6.396 3.128 8.374
47 1HD ARG 27 1HD ARG 27 -8.952 3.505 8.113
48 2HD ARG 27 2HD ARG 27 -8.689 3.282 6.384
49 HE ARG 27 HE ARG 27 -8.799 1.266 8.439
50 1HH1 ARG 27 1HH2 ARG 27 -7.092 1.788 5.399
51 2HH1 ARG 27 2HH2 ARG 27 -6.938 0.074 5.107
52 1HH2 ARG 27 1HH1 ARG 27 -8.666 -0.870 7.929
53 2HH2 ARG 27 2HH1 ARG 27 -8.009 -1.367 6.392
54 H GLN 28 H GLN 28 -3.476 5.167 6.291
55 HA GLN 28 HA GLN 28 -2.202 3.688 8.566
56 1HB GLN 28 1HB GLN 28 -3.836 2.366 7.069
57 2HB GLN 28 2HB GLN 28 -2.700 2.643 5.751
58 1HG GLN 28 1HG GLN 28 -0.944 1.486 7.341
59 2HG GLN 28 2HG GLN 28 -2.364 0.952 8.248
60 1HE2 GLN 28 2HE2 GLN 28 -4.205 0.145 6.470
61 2HE2 GLN 28 1HE2 GLN 28 -3.568 -0.872 5.192
62 H GLY 29 H GLY 29 -1.808 5.394 5.466
63 1HA GLY 29 2HA GLY 29 1.000 5.910 5.745
64 2HA GLY 29 1HA GLY 29 0.025 6.070 4.277
65 H CYS 30 H CYS 30 -0.797 3.260 4.256
66 HA CYS 30 HA CYS 30 -0.275 1.154 3.790
67 1HB CYS 30 1HB CYS 30 1.852 2.634 2.232
68 2HB CYS 30 2HB CYS 30 1.711 0.879 2.157
69 H TRP 31 H TRP 31 1.191 2.284 6.335
70 HA TRP 31 HA TRP 31 3.695 1.022 6.469
71 1HB TRP 31 1HB TRP 31 2.743 2.809 7.975
72 2HB TRP 31 2HB TRP 31 1.904 1.531 8.854
73 HD1 TRP 31 HD1 TRP 31 3.263 0.525 10.797
74 HE1 TRP 31 HE1 TRP 31 5.726 0.434 11.520
75 HE3 TRP 31 HE3 TRP 31 5.376 2.912 6.784
76 HZ2 TRP 31 HZ2 TRP 31 8.295 1.216 10.450
77 HZ3 TRP 31 HZ3 TRP 31 7.842 3.187 6.641
78 HH2 TRP 31 HH2 TRP 31 9.307 2.345 8.464
79 H LYS 32 H LYS 32 0.588 -0.512 6.938
80 HA LYS 32 HA LYS 32 1.843 -3.094 7.796
81 1HB LYS 32 1HB LYS 32 -0.063 -2.552 9.040
82 2HB LYS 32 2HB LYS 32 -0.997 -2.044 7.669
83 1HG LYS 32 1HG LYS 32 -0.175 -4.933 8.202
84 2HG LYS 32 2HG LYS 32 -1.665 -4.200 8.769
85 1HD LYS 32 1HD LYS 32 -0.944 -4.900 5.916
86 2HD LYS 32 2HD LYS 32 -2.271 -5.480 6.898
87 1HE LYS 32 1HE LYS 32 -3.356 -3.271 6.839
88 2HE LYS 32 2HE LYS 32 -1.985 -2.597 5.952
89 1HZ LYS 32 3HZ LYS 32 -2.484 -4.121 4.130
90 2HZ LYS 32 1HZ LYS 32 -3.789 -4.711 4.933
91 3HZ LYS 32 2HZ LYS 32 -3.749 -3.133 4.436
92 H CYS 33 H CYS 33 0.085 -1.635 5.090
93 HA CYS 33 HA CYS 33 -0.211 -3.779 3.333
94 1HB CYS 33 1HB CYS 33 -1.259 -1.615 3.091
95 2HB CYS 33 2HB CYS 33 0.307 -0.810 2.980
96 H GLY 34 H GLY 34 2.600 -1.575 3.579
97 1HA GLY 34 2HA GLY 34 4.203 -3.208 1.690
98 2HA GLY 34 1HA GLY 34 4.682 -3.286 3.383
99 H LYS 35 H LYS 35 3.885 -0.216 3.513
100 HA LYS 35 HA LYS 35 5.331 1.359 1.770
101 1HB LYS 35 1HB LYS 35 3.762 2.075 3.571
102 2HB LYS 35 2HB LYS 35 5.014 1.763 4.767
103 1HG LYS 35 1HG LYS 35 4.843 4.111 4.373
104 2HG LYS 35 2HG LYS 35 6.395 3.588 3.747
105 1HD LYS 35 1HD LYS 35 5.596 3.664 1.454
106 2HD LYS 35 2HD LYS 35 3.921 3.898 1.971
107 1HE LYS 35 1HE LYS 35 6.187 5.868 2.508
108 2HE LYS 35 2HE LYS 35 5.081 5.972 1.133
109 1HZ LYS 35 3HZ LYS 35 3.232 6.166 2.703
110 2HZ LYS 35 1HZ LYS 35 4.241 6.084 3.980
111 3HZ LYS 35 2HZ LYS 35 4.314 7.362 2.963
112 H THR 36 H THR 36 6.765 -0.602 4.252
113 HA THR 36 HA THR 36 9.361 0.532 4.497
114 HB THR 36 HB THR 36 10.012 -1.795 5.169
115 HG1 THR 36 HG1 THR 36 8.369 -3.331 5.240
116 1HG2 THR 36 3HG2 THR 36 8.996 -0.210 6.814
117 2HG2 THR 36 1HG2 THR 36 7.387 -0.853 6.423
118 3HG2 THR 36 2HG2 THR 36 8.612 -1.904 7.163
119 H GLY 37 H GLY 37 7.984 -1.148 1.743
120 1HA GLY 37 2HA GLY 37 10.274 -2.166 0.472
121 2HA GLY 37 1HA GLY 37 10.304 -0.432 0.169
122 H HIS 38 H HIS 38 7.023 -1.432 0.192
123 HA HIS 38 HA HIS 38 6.873 -2.590 -2.427
124 1HB HIS 38 1HB HIS 38 4.595 -2.722 -2.090
125 2HB HIS 38 2HB HIS 38 5.259 -2.890 -0.485
126 HD1 HIS 38 HD1 HIS 38 5.243 0.755 -1.011
127 HD2 HIS 38 HD2 HIS 38 2.367 -2.252 -0.419
128 HE1 HIS 38 HE1 HIS 38 3.101 1.940 -0.289
129 H VAL 39 H VAL 39 5.193 -1.669 -4.026
130 HA VAL 39 HA VAL 39 5.462 1.259 -4.515
131 HB VAL 39 HB VAL 39 5.826 -0.888 -6.652
132 1HG1 VAL 39 1HG1 VAL 39 6.040 2.154 -6.799
133 2HG1 VAL 39 2HG1 VAL 39 6.522 1.036 -8.090
134 3HG1 VAL 39 3HG1 VAL 39 4.834 1.133 -7.623
135 1HG2 VAL 39 2HG2 VAL 39 7.892 0.982 -5.410
136 2HG2 VAL 39 3HG2 VAL 39 7.863 -0.792 -5.285
137 3HG2 VAL 39 1HG2 VAL 39 8.159 -0.034 -6.845
138 H MET 40 H MET 40 3.667 2.143 -5.649
139 HA MET 40 HA MET 40 1.129 1.247 -4.981
140 1HB MET 40 1HB MET 40 1.878 3.016 -7.342
141 2HB MET 40 2HB MET 40 0.282 2.869 -6.603
142 1HG MET 40 1HG MET 40 1.138 4.829 -5.698
143 2HG MET 40 2HG MET 40 1.331 3.641 -4.413
144 1HE MET 40 1HE MET 40 2.689 6.499 -4.380
145 2HE MET 40 2HE MET 40 2.929 5.286 -3.101
146 3HE MET 40 3HE MET 40 4.330 6.101 -3.829
147 H ALA 41 H ALA 41 2.938 0.377 -7.884
148 HA ALA 41 HA ALA 41 0.895 -0.886 -9.393
149 1HB ALA 41 2HB ALA 41 3.113 -0.222 -10.251
150 2HB ALA 41 3HB ALA 41 3.889 -1.455 -9.229
151 3HB ALA 41 1HB ALA 41 2.804 -1.941 -10.549
152 H LYS 42 H LYS 42 2.355 -1.971 -6.443
153 HA LYS 42 HA LYS 42 1.156 -4.703 -6.762
154 1HB LYS 42 1HB LYS 42 3.646 -4.704 -6.719
155 2HB LYS 42 2HB LYS 42 3.618 -3.830 -5.189
156 1HG LYS 42 1HG LYS 42 4.072 -6.125 -4.707
157 2HG LYS 42 2HG LYS 42 2.469 -5.774 -4.112
158 1HD LYS 42 1HD LYS 42 1.942 -6.750 -6.705
159 2HD LYS 42 2HD LYS 42 3.391 -7.625 -6.245
160 1HE LYS 42 1HE LYS 42 1.687 -9.030 -5.490
161 2HE LYS 42 2HE LYS 42 2.168 -8.171 -4.024
162 1HZ LYS 42 2HZ LYS 42 0.247 -6.622 -4.493
163 2HZ LYS 42 3HZ LYS 42 -0.200 -7.588 -5.729
164 3HZ LYS 42 1HZ LYS 42 -0.230 -8.170 -4.208
165 H CYS 43 H CYS 43 1.562 -1.968 -4.621
166 HA CYS 43 HA CYS 43 0.923 -2.241 -2.220
167 1HB CYS 43 1HB CYS 43 0.861 -0.172 -3.383
168 2HB CYS 43 2HB CYS 43 -0.735 -0.520 -4.063
169 HA PRO 44 HA PRO 44 -2.225 -5.553 -2.081
170 1HB PRO 44 1HB PRO 44 -1.163 -5.464 0.752
171 2HB PRO 44 2HB PRO 44 -1.637 -6.891 -0.228
172 1HG PRO 44 1HG PRO 44 0.967 -6.236 0.002
173 2HG PRO 44 2HG PRO 44 0.306 -6.672 -1.611
174 1HD PRO 44 1HD PRO 44 0.853 -3.935 -0.475
175 2HD PRO 44 2HD PRO 44 1.200 -4.563 -2.103
176 H GLU 45 H GLU 45 -2.154 -2.602 -0.140
177 HA GLU 45 HA GLU 45 -4.379 -2.910 1.486
178 1HB GLU 45 1HB GLU 45 -2.764 -1.025 1.509
179 2HB GLU 45 2HB GLU 45 -3.500 -0.376 0.051
180 1HG GLU 45 1HG GLU 45 -4.155 0.804 2.110
181 2HG GLU 45 2HG GLU 45 -5.538 0.144 1.256
182 H ARG 46 H ARG 46 -4.510 -2.743 -1.933
183 HA ARG 46 HA ARG 46 -7.170 -2.033 -2.576
184 1HB ARG 46 1HB ARG 46 -5.405 -4.329 -3.534
185 2HB ARG 46 2HB ARG 46 -6.931 -3.880 -4.301
186 1HG ARG 46 1HG ARG 46 -6.088 -1.704 -4.929
187 2HG ARG 46 2HG ARG 46 -4.588 -1.944 -4.015
188 1HD ARG 46 1HD ARG 46 -3.932 -3.802 -5.473
189 2HD ARG 46 2HD ARG 46 -5.479 -3.725 -6.317
190 HE ARG 46 HE ARG 46 -4.776 -1.894 -7.542
191 1HH1 ARG 46 1HH2 ARG 46 -2.346 -2.329 -4.998
192 2HH1 ARG 46 2HH2 ARG 46 -1.213 -1.328 -5.896
193 1HH2 ARG 46 2HH1 ARG 46 -3.222 -0.583 -8.485
194 2HH2 ARG 46 1HH1 ARG 46 -1.682 -0.383 -7.670
195 H GLN 47 H GLN 47 -6.034 -5.033 -1.022
196 HA GLN 47 HA GLN 47 -8.823 -5.633 -0.171
197 1HB GLN 47 1HB GLN 47 -7.033 -7.486 -1.786
198 2HB GLN 47 2HB GLN 47 -8.354 -8.103 -0.809
199 1HG GLN 47 1HG GLN 47 -8.736 -6.128 -3.098
200 2HG GLN 47 2HG GLN 47 -8.884 -7.867 -3.215
201 1HE2 GLN 47 2HE2 GLN 47 -11.112 -7.254 -4.021
202 2HE2 GLN 47 1HE2 GLN 47 -12.357 -7.082 -2.792
203 H ALA 48 H ALA 48 -5.402 -5.902 0.552
204 HA ALA 48 HA ALA 48 -5.619 -7.988 2.506
205 1HB ALA 48 2HB ALA 48 -3.413 -5.942 2.021
206 2HB ALA 48 3HB ALA 48 -3.252 -7.495 2.870
207 3HB ALA 48 1HB ALA 48 -3.615 -7.475 1.138
208 H GLY 49 H GLY 49 -7.420 -5.677 3.107
209 1HA GLY 49 2HA GLY 49 -6.399 -4.382 5.566
210 2HA GLY 49 1HA GLY 49 -7.694 -5.572 5.766
No H/Q in entry = 210
Start of MODEL 22
1 H1 ARG 23 2H ARG 23 -8.081 1.125 1.649
2 H2 ARG 23 1H ARG 23 -9.215 -0.015 1.294
3 H3 ARG 23 3H ARG 23 -7.830 0.100 0.411
4 HA ARG 23 HA ARG 23 -9.541 0.971 -0.882
5 1HB ARG 23 1HB ARG 23 -10.962 1.479 1.203
6 2HB ARG 23 2HB ARG 23 -10.140 3.027 1.273
7 1HG ARG 23 1HG ARG 23 -12.391 2.989 0.119
8 2HG ARG 23 2HG ARG 23 -11.093 3.713 -0.824
9 1HD ARG 23 1HD ARG 23 -12.699 2.195 -2.088
10 2HD ARG 23 2HD ARG 23 -10.976 1.896 -2.316
11 HE ARG 23 HE ARG 23 -12.227 0.238 -0.214
12 1HH1 ARG 23 1HH2 ARG 23 -11.495 0.291 -3.658
13 2HH1 ARG 23 2HH2 ARG 23 -11.476 -1.452 -3.725
14 1HH2 ARG 23 1HH1 ARG 23 -12.044 -1.826 -0.357
15 2HH2 ARG 23 2HH1 ARG 23 -11.548 -2.632 -1.842
16 H ALA 24 H ALA 24 -7.326 3.012 1.139
17 HA ALA 24 HA ALA 24 -6.053 3.991 -1.263
18 1HB ALA 24 3HB ALA 24 -7.644 5.952 0.459
19 2HB ALA 24 2HB ALA 24 -7.993 5.518 -1.230
20 3HB ALA 24 1HB ALA 24 -6.510 6.400 -0.834
21 HA PRO 25 HA PRO 25 -2.603 3.872 1.590
22 1HB PRO 25 1HB PRO 25 -1.735 6.320 0.030
23 2HB PRO 25 2HB PRO 25 -0.741 4.940 0.591
24 1HG PRO 25 1HG PRO 25 -1.626 5.003 -1.959
25 2HG PRO 25 2HG PRO 25 -1.743 3.476 -1.025
26 1HD PRO 25 1HD PRO 25 -3.916 5.472 -1.647
27 2HD PRO 25 2HD PRO 25 -3.977 3.683 -1.612
28 H ARG 26 H ARG 26 -4.117 7.033 1.092
29 HA ARG 26 HA ARG 26 -3.219 8.591 3.193
30 1HB ARG 26 1HB ARG 26 -4.709 9.310 1.379
31 2HB ARG 26 2HB ARG 26 -6.012 8.316 2.014
32 1HG ARG 26 1HG ARG 26 -6.441 10.616 2.472
33 2HG ARG 26 2HG ARG 26 -6.209 9.783 3.997
34 1HD ARG 26 1HD ARG 26 -3.967 11.344 2.639
35 2HD ARG 26 2HD ARG 26 -5.184 12.128 3.659
36 HE ARG 26 HE ARG 26 -4.057 9.908 5.074
37 1HH1 ARG 26 2HH1 ARG 26 -3.221 13.199 4.203
38 2HH1 ARG 26 1HH1 ARG 26 -2.171 13.384 5.583
39 1HH2 ARG 26 2HH2 ARG 26 -2.707 10.187 6.761
40 2HH2 ARG 26 1HH2 ARG 26 -1.885 11.704 7.000
41 H ARG 27 H ARG 27 -5.589 5.929 3.525
42 HA ARG 27 HA ARG 27 -6.190 6.720 6.304
43 1HB ARG 27 1HB ARG 27 -7.904 5.145 6.281
44 2HB ARG 27 2HB ARG 27 -7.873 5.817 4.666
45 1HG ARG 27 1HG ARG 27 -8.061 3.646 4.059
46 2HG ARG 27 2HG ARG 27 -6.304 3.651 4.210
47 1HD ARG 27 1HD ARG 27 -6.519 2.743 6.530
48 2HD ARG 27 2HD ARG 27 -8.274 2.762 6.373
49 HE ARG 27 HE ARG 27 -6.352 1.018 4.871
50 1HH1 ARG 27 1HH2 ARG 27 -9.790 1.729 5.343
51 2HH1 ARG 27 2HH2 ARG 27 -10.172 0.386 4.260
52 1HH2 ARG 27 2HH1 ARG 27 -7.004 -0.578 3.738
53 2HH2 ARG 27 1HH1 ARG 27 -8.744 -0.907 3.522
54 H GLN 28 H GLN 28 -3.706 4.863 4.959
55 HA GLN 28 HA GLN 28 -3.316 3.318 7.506
56 1HB GLN 28 1HB GLN 28 -4.184 2.158 5.279
57 2HB GLN 28 2HB GLN 28 -2.502 2.292 4.783
58 1HG GLN 28 1HG GLN 28 -2.140 1.175 7.247
59 2HG GLN 28 2HG GLN 28 -3.778 0.619 6.935
60 1HE2 GLN 28 2HE2 GLN 28 -3.978 -0.446 4.504
61 2HE2 GLN 28 1HE2 GLN 28 -2.645 -1.549 4.216
62 H GLY 29 H GLY 29 -1.772 5.439 5.205
63 1HA GLY 29 2HA GLY 29 0.825 5.540 6.424
64 2HA GLY 29 1HA GLY 29 0.396 6.044 4.781
65 H CYS 30 H CYS 30 -0.613 3.371 4.081
66 HA CYS 30 HA CYS 30 -0.218 1.190 3.795
67 1HB CYS 30 1HB CYS 30 1.957 2.698 2.358
68 2HB CYS 30 2HB CYS 30 1.832 0.939 2.196
69 H TRP 31 H TRP 31 0.828 1.915 6.459
70 HA TRP 31 HA TRP 31 3.416 0.883 6.859
71 1HB TRP 31 1HB TRP 31 1.505 2.214 8.391
72 2HB TRP 31 2HB TRP 31 1.685 0.689 9.232
73 HD1 TRP 31 HD1 TRP 31 4.447 0.049 9.683
74 HE1 TRP 31 HE1 TRP 31 6.326 1.599 10.493
75 HE3 TRP 31 HE3 TRP 31 2.299 4.570 8.573
76 HZ2 TRP 31 HZ2 TRP 31 6.877 4.431 10.547
77 HZ3 TRP 31 HZ3 TRP 31 3.545 6.684 8.992
78 HH2 TRP 31 HH2 TRP 31 5.831 6.625 9.965
79 H LYS 32 H LYS 32 0.519 -0.954 6.539
80 HA LYS 32 HA LYS 32 1.994 -3.470 7.232
81 1HB LYS 32 1HB LYS 32 0.061 -2.973 8.724
82 2HB LYS 32 2HB LYS 32 -0.983 -2.856 7.318
83 1HG LYS 32 1HG LYS 32 -1.466 -4.907 8.265
84 2HG LYS 32 2HG LYS 32 -0.532 -5.317 6.851
85 1HD LYS 32 1HD LYS 32 0.504 -5.215 9.727
86 2HD LYS 32 2HD LYS 32 -0.059 -6.666 8.921
87 1HE LYS 32 1HE LYS 32 2.429 -5.066 8.202
88 2HE LYS 32 2HE LYS 32 2.362 -6.612 9.032
89 1HZ LYS 32 1HZ LYS 32 1.337 -7.560 6.998
90 2HZ LYS 32 2HZ LYS 32 1.561 -6.133 6.212
91 3HZ LYS 32 3HZ LYS 32 2.843 -6.997 6.729
92 H CYS 33 H CYS 33 0.113 -1.769 4.839
93 HA CYS 33 HA CYS 33 -0.210 -3.687 2.795
94 1HB CYS 33 1HB CYS 33 -1.188 -1.422 2.944
95 2HB CYS 33 2HB CYS 33 0.416 -0.708 2.763
96 H GLY 34 H GLY 34 2.605 -1.623 3.573
97 1HA GLY 34 2HA GLY 34 4.352 -3.190 1.701
98 2HA GLY 34 1HA GLY 34 4.680 -3.173 3.430
99 H LYS 35 H LYS 35 3.932 -0.148 3.500
100 HA LYS 35 HA LYS 35 5.419 1.376 1.719
101 1HB LYS 35 1HB LYS 35 3.757 2.134 3.405
102 2HB LYS 35 2HB LYS 35 4.963 2.006 4.667
103 1HG LYS 35 1HG LYS 35 5.617 3.657 2.223
104 2HG LYS 35 2HG LYS 35 4.373 4.290 3.275
105 1HD LYS 35 1HD LYS 35 6.954 3.437 4.592
106 2HD LYS 35 2HD LYS 35 6.976 4.868 3.575
107 1HE LYS 35 1HE LYS 35 6.613 5.511 5.876
108 2HE LYS 35 2HE LYS 35 5.217 5.935 4.881
109 1HZ LYS 35 1HZ LYS 35 5.349 3.523 6.613
110 2HZ LYS 35 2HZ LYS 35 4.617 4.917 7.030
111 3HZ LYS 35 3HZ LYS 35 4.025 4.054 5.777
112 H THR 36 H THR 36 6.807 -0.553 4.215
113 HA THR 36 HA THR 36 9.395 0.611 4.516
114 HB THR 36 HB THR 36 10.068 -1.729 5.122
115 HG1 THR 36 HG1 THR 36 8.438 -3.280 5.158
116 1HG2 THR 36 2HG2 THR 36 9.042 -0.191 6.809
117 2HG2 THR 36 3HG2 THR 36 7.439 -0.846 6.407
118 3HG2 THR 36 1HG2 THR 36 8.681 -1.897 7.119
119 H GLY 37 H GLY 37 8.038 -1.061 1.736
120 1HA GLY 37 2HA GLY 37 10.365 -1.991 0.451
121 2HA GLY 37 1HA GLY 37 10.314 -0.257 0.150
122 H HIS 38 H HIS 38 7.075 -1.324 0.188
123 HA HIS 38 HA HIS 38 6.932 -2.549 -2.396
124 1HB HIS 38 1HB HIS 38 4.643 -2.645 -2.083
125 2HB HIS 38 2HB HIS 38 5.302 -2.808 -0.474
126 HD1 HIS 38 HD1 HIS 38 5.330 0.823 -1.013
127 HD2 HIS 38 HD2 HIS 38 2.394 -2.132 -0.452
128 HE1 HIS 38 HE1 HIS 38 3.210 2.043 -0.291
129 H VAL 39 H VAL 39 5.295 -1.708 -4.036
130 HA VAL 39 HA VAL 39 5.511 1.206 -4.626
131 HB VAL 39 HB VAL 39 5.874 -1.035 -6.666
132 1HG1 VAL 39 2HG1 VAL 39 5.992 2.000 -6.984
133 2HG1 VAL 39 3HG1 VAL 39 6.503 0.830 -8.216
134 3HG1 VAL 39 1HG1 VAL 39 4.816 0.893 -7.740
135 1HG2 VAL 39 1HG2 VAL 39 7.906 0.957 -5.564
136 2HG2 VAL 39 2HG2 VAL 39 7.927 -0.806 -5.336
137 3HG2 VAL 39 3HG2 VAL 39 8.181 -0.134 -6.942
138 H MET 40 H MET 40 3.705 1.998 -5.841
139 HA MET 40 HA MET 40 1.198 1.214 -4.987
140 1HB MET 40 1HB MET 40 1.918 2.789 -7.485
141 2HB MET 40 2HB MET 40 0.311 2.687 -6.760
142 1HG MET 40 1HG MET 40 1.173 4.705 -5.978
143 2HG MET 40 2HG MET 40 1.293 3.599 -4.615
144 1HE MET 40 1HE MET 40 2.687 6.406 -4.619
145 2HE MET 40 2HE MET 40 2.860 5.226 -3.300
146 3HE MET 40 3HE MET 40 4.300 6.003 -3.992
147 H ALA 41 H ALA 41 2.869 -0.098 -7.792
148 HA ALA 41 HA ALA 41 0.637 -1.372 -9.065
149 1HB ALA 41 2HB ALA 41 2.801 -0.926 -10.163
150 2HB ALA 41 3HB ALA 41 3.611 -2.064 -9.060
151 3HB ALA 41 1HB ALA 41 2.402 -2.652 -10.221
152 H LYS 42 H LYS 42 2.623 -2.336 -6.287
153 HA LYS 42 HA LYS 42 1.322 -5.020 -6.105
154 1HB LYS 42 1HB LYS 42 3.719 -4.873 -5.594
155 2HB LYS 42 2HB LYS 42 3.430 -3.663 -4.355
156 1HG LYS 42 1HG LYS 42 1.762 -6.033 -3.864
157 2HG LYS 42 2HG LYS 42 3.436 -6.510 -4.105
158 1HD LYS 42 1HD LYS 42 4.196 -5.037 -2.319
159 2HD LYS 42 2HD LYS 42 2.560 -4.373 -2.108
160 1HE LYS 42 1HE LYS 42 1.723 -6.629 -1.489
161 2HE LYS 42 2HE LYS 42 3.338 -7.300 -1.729
162 1HZ LYS 42 1HZ LYS 42 4.130 -5.882 0.092
163 2HZ LYS 42 2HZ LYS 42 2.627 -5.271 0.348
164 3HZ LYS 42 3HZ LYS 42 2.929 -6.850 0.610
165 H CYS 43 H CYS 43 1.819 -2.269 -3.954
166 HA CYS 43 HA CYS 43 0.601 -2.052 -1.869
167 1HB CYS 43 1HB CYS 43 1.128 -0.186 -3.370
168 2HB CYS 43 2HB CYS 43 -0.463 -0.358 -4.139
169 HA PRO 44 HA PRO 44 -3.232 -4.706 -2.262
170 1HB PRO 44 1HB PRO 44 -2.469 -4.702 0.673
171 2HB PRO 44 2HB PRO 44 -3.267 -5.999 -0.276
172 1HG PRO 44 1HG PRO 44 -0.603 -6.109 0.180
173 2HG PRO 44 2HG PRO 44 -1.241 -6.481 -1.455
174 1HD PRO 44 1HD PRO 44 0.101 -3.971 -0.484
175 2HD PRO 44 2HD PRO 44 0.221 -4.787 -2.064
176 H GLU 45 H GLU 45 -2.493 -2.048 0.040
177 HA GLU 45 HA GLU 45 -5.096 -1.418 0.928
178 1HB GLU 45 1HB GLU 45 -3.054 -0.557 1.909
179 2HB GLU 45 2HB GLU 45 -2.653 0.310 0.430
180 1HG GLU 45 1HG GLU 45 -3.423 1.812 2.181
181 2HG GLU 45 2HG GLU 45 -4.450 1.867 0.752
182 H ARG 46 H ARG 46 -3.712 -0.799 -2.240
183 HA ARG 46 HA ARG 46 -5.426 1.209 -3.293
184 1HB ARG 46 1HB ARG 46 -3.350 0.183 -4.300
185 2HB ARG 46 2HB ARG 46 -4.292 -1.281 -4.605
186 1HG ARG 46 1HG ARG 46 -5.771 0.077 -6.152
187 2HG ARG 46 2HG ARG 46 -4.701 1.456 -5.870
188 1HD ARG 46 1HD ARG 46 -4.093 0.354 -7.953
189 2HD ARG 46 2HD ARG 46 -2.790 0.152 -6.787
190 HE ARG 46 HE ARG 46 -4.773 -1.954 -7.630
191 1HH1 ARG 46 2HH2 ARG 46 -1.555 -1.332 -6.295
192 2HH1 ARG 46 1HH2 ARG 46 -1.416 -3.014 -5.812
193 1HH2 ARG 46 1HH1 ARG 46 -4.352 -4.027 -7.179
194 2HH2 ARG 46 2HH1 ARG 46 -2.804 -4.500 -6.498
195 H GLN 47 H GLN 47 -6.118 -2.201 -2.659
196 HA GLN 47 HA GLN 47 -8.879 -1.883 -3.801
197 1HB GLN 47 1HB GLN 47 -6.834 -4.048 -4.410
198 2HB GLN 47 2HB GLN 47 -8.563 -4.240 -4.720
199 1HG GLN 47 1HG GLN 47 -8.563 -2.283 -6.216
200 2HG GLN 47 2HG GLN 47 -6.841 -2.028 -5.908
201 1HE2 GLN 47 1HE2 GLN 47 -9.118 -4.527 -7.233
202 2HE2 GLN 47 2HE2 GLN 47 -7.920 -5.154 -8.359
203 H ALA 48 H ALA 48 -6.881 -3.511 -1.344
204 HA ALA 48 HA ALA 48 -9.069 -5.121 -0.295
205 1HB ALA 48 2HB ALA 48 -6.424 -4.229 0.944
206 2HB ALA 48 3HB ALA 48 -7.493 -5.506 1.559
207 3HB ALA 48 1HB ALA 48 -6.678 -5.713 -0.003
208 H GLY 49 H GLY 49 -10.397 -4.681 1.408
209 1HA GLY 49 2HA GLY 49 -10.434 -2.963 3.497
210 2HA GLY 49 1HA GLY 49 -11.898 -3.403 2.628
No H/Q in entry = 210
Start of MODEL 23
1 H1 ARG 23 1H ARG 23 -8.815 -0.541 1.034
2 H2 ARG 23 3H ARG 23 -10.217 -1.330 0.700
3 H3 ARG 23 2H ARG 23 -9.097 -1.104 -0.476
4 HA ARG 23 HA ARG 23 -10.712 0.425 -0.988
5 1HB ARG 23 1HB ARG 23 -10.900 0.797 1.986
6 2HB ARG 23 2HB ARG 23 -11.338 2.151 0.930
7 1HG ARG 23 1HG ARG 23 -12.961 0.878 -0.270
8 2HG ARG 23 2HG ARG 23 -12.473 -0.643 0.471
9 1HD ARG 23 1HD ARG 23 -13.645 1.683 2.047
10 2HD ARG 23 2HD ARG 23 -14.608 0.373 1.338
11 HE ARG 23 HE ARG 23 -12.523 -0.796 2.906
12 1HH1 ARG 23 2HH1 ARG 23 -15.578 0.859 3.409
13 2HH1 ARG 23 1HH1 ARG 23 -15.831 0.066 4.941
14 1HH2 ARG 23 1HH2 ARG 23 -12.848 -1.676 4.775
15 2HH2 ARG 23 2HH2 ARG 23 -14.305 -1.376 5.721
16 H ALA 24 H ALA 24 -8.720 2.147 1.513
17 HA ALA 24 HA ALA 24 -7.155 3.341 -0.713
18 1HB ALA 24 3HB ALA 24 -8.806 4.903 1.326
19 2HB ALA 24 2HB ALA 24 -9.162 4.743 -0.410
20 3HB ALA 24 1HB ALA 24 -7.712 5.610 0.119
21 HA PRO 25 HA PRO 25 -3.898 2.947 2.222
22 1HB PRO 25 1HB PRO 25 -1.927 4.477 1.143
23 2HB PRO 25 2HB PRO 25 -2.579 3.022 0.325
24 1HG PRO 25 1HG PRO 25 -3.373 5.916 -0.143
25 2HG PRO 25 2HG PRO 25 -2.885 4.693 -1.362
26 1HD PRO 25 1HD PRO 25 -5.502 5.184 -0.806
27 2HD PRO 25 2HD PRO 25 -4.919 3.528 -1.151
28 H ARG 26 H ARG 26 -5.223 6.168 1.831
29 HA ARG 26 HA ARG 26 -3.523 7.682 3.458
30 1HB ARG 26 1HB ARG 26 -5.209 8.657 1.991
31 2HB ARG 26 2HB ARG 26 -6.515 7.964 2.951
32 1HG ARG 26 1HG ARG 26 -6.276 10.360 3.376
33 2HG ARG 26 2HG ARG 26 -5.987 9.427 4.836
34 1HD ARG 26 1HD ARG 26 -3.466 9.672 4.356
35 2HD ARG 26 2HD ARG 26 -3.911 10.760 3.047
36 HE ARG 26 HE ARG 26 -4.471 12.411 4.594
37 1HH1 ARG 26 2HH2 ARG 26 -3.959 9.431 6.423
38 2HH1 ARG 26 1HH2 ARG 26 -3.875 10.301 7.932
39 1HH2 ARG 26 1HH1 ARG 26 -4.391 13.406 6.570
40 2HH2 ARG 26 2HH1 ARG 26 -4.137 12.470 8.012
41 H ARG 27 H ARG 27 -6.080 5.550 4.561
42 HA ARG 27 HA ARG 27 -6.079 6.370 7.345
43 1HB ARG 27 1HB ARG 27 -7.489 4.478 7.702
44 2HB ARG 27 2HB ARG 27 -7.925 5.152 6.132
45 1HG ARG 27 1HG ARG 27 -6.414 3.367 5.072
46 2HG ARG 27 2HG ARG 27 -6.254 2.653 6.686
47 1HD ARG 27 1HD ARG 27 -8.702 2.379 6.816
48 2HD ARG 27 2HD ARG 27 -8.859 3.072 5.184
49 HE ARG 27 HE ARG 27 -7.005 0.879 5.101
50 1HH1 ARG 27 1HH2 ARG 27 -10.486 1.313 5.565
51 2HH1 ARG 27 2HH2 ARG 27 -10.797 -0.265 4.834
52 1HH2 ARG 27 1HH1 ARG 27 -7.610 -1.072 4.143
53 2HH2 ARG 27 2HH1 ARG 27 -9.329 -1.493 4.183
54 H GLN 28 H GLN 28 -3.755 4.651 5.600
55 HA GLN 28 HA GLN 28 -2.888 2.969 7.916
56 1HB GLN 28 1HB GLN 28 -4.112 2.050 5.787
57 2HB GLN 28 2HB GLN 28 -2.614 2.381 4.941
58 1HG GLN 28 1HG GLN 28 -2.631 0.074 5.533
59 2HG GLN 28 2HG GLN 28 -1.431 0.837 6.573
60 1HE2 GLN 28 1HE2 GLN 28 -4.901 -0.134 6.491
61 2HE2 GLN 28 2HE2 GLN 28 -4.980 -0.521 8.223
62 H GLY 29 H GLY 29 -1.785 5.275 5.520
63 1HA GLY 29 2HA GLY 29 0.925 5.510 6.392
64 2HA GLY 29 1HA GLY 29 0.272 6.009 4.823
65 H CYS 30 H CYS 30 -0.622 3.268 4.174
66 HA CYS 30 HA CYS 30 -0.096 1.197 3.598
67 1HB CYS 30 1HB CYS 30 2.144 2.836 2.421
68 2HB CYS 30 2HB CYS 30 2.093 1.095 2.153
69 H TRP 31 H TRP 31 1.030 1.908 6.425
70 HA TRP 31 HA TRP 31 3.451 0.426 6.668
71 1HB TRP 31 1HB TRP 31 2.466 2.095 8.295
72 2HB TRP 31 2HB TRP 31 1.420 0.804 8.883
73 HD1 TRP 31 HD1 TRP 31 2.440 -0.580 10.804
74 HE1 TRP 31 HE1 TRP 31 4.780 -1.002 11.778
75 HE3 TRP 31 HE3 TRP 31 5.223 2.064 7.407
76 HZ2 TRP 31 HZ2 TRP 31 7.515 -0.333 11.128
77 HZ3 TRP 31 HZ3 TRP 31 7.701 2.127 7.590
78 HH2 TRP 31 HH2 TRP 31 8.854 0.935 9.441
79 H LYS 32 H LYS 32 0.102 -0.719 7.123
80 HA LYS 32 HA LYS 32 0.666 -3.528 7.540
81 1HB LYS 32 1HB LYS 32 -1.522 -2.383 7.965
82 2HB LYS 32 2HB LYS 32 -1.699 -2.116 6.229
83 1HG LYS 32 1HG LYS 32 -1.699 -4.658 5.935
84 2HG LYS 32 2HG LYS 32 -1.693 -4.784 7.695
85 1HD LYS 32 1HD LYS 32 -3.949 -5.061 6.923
86 2HD LYS 32 2HD LYS 32 -3.863 -3.483 7.725
87 1HE LYS 32 1HE LYS 32 -3.688 -2.362 5.526
88 2HE LYS 32 2HE LYS 32 -3.656 -3.926 4.702
89 1HZ LYS 32 2HZ LYS 32 -5.948 -2.952 6.320
90 2HZ LYS 32 3HZ LYS 32 -5.847 -2.829 4.692
91 3HZ LYS 32 1HZ LYS 32 -5.935 -4.304 5.389
92 H CYS 33 H CYS 33 0.389 -1.531 4.714
93 HA CYS 33 HA CYS 33 -0.181 -3.518 2.754
94 1HB CYS 33 1HB CYS 33 -0.856 -1.063 3.004
95 2HB CYS 33 2HB CYS 33 0.791 -0.646 2.503
96 H GLY 34 H GLY 34 2.760 -1.692 3.563
97 1HA GLY 34 2HA GLY 34 4.408 -3.170 1.552
98 2HA GLY 34 1HA GLY 34 4.809 -3.308 3.260
99 H LYS 35 H LYS 35 4.043 -0.303 3.582
100 HA LYS 35 HA LYS 35 5.408 1.456 1.996
101 1HB LYS 35 1HB LYS 35 3.932 1.982 3.912
102 2HB LYS 35 2HB LYS 35 5.198 1.507 5.033
103 1HG LYS 35 1HG LYS 35 5.033 3.893 4.923
104 2HG LYS 35 2HG LYS 35 6.583 3.431 4.239
105 1HD LYS 35 1HD LYS 35 5.776 3.781 1.968
106 2HD LYS 35 2HD LYS 35 4.112 3.991 2.520
107 1HE LYS 35 1HE LYS 35 6.426 5.834 3.260
108 2HE LYS 35 2HE LYS 35 5.313 6.119 1.918
109 1HZ LYS 35 2HZ LYS 35 3.481 6.174 3.520
110 2HZ LYS 35 3HZ LYS 35 4.498 5.927 4.769
111 3HZ LYS 35 1HZ LYS 35 4.593 7.309 3.900
112 H THR 36 H THR 36 7.003 -0.700 4.229
113 HA THR 36 HA THR 36 9.571 0.508 4.447
114 HB THR 36 HB THR 36 10.325 -1.833 4.949
115 HG1 THR 36 HG1 THR 36 8.731 -3.421 5.006
116 1HG2 THR 36 1HG2 THR 36 9.343 -0.374 6.725
117 2HG2 THR 36 2HG2 THR 36 7.736 -1.045 6.370
118 3HG2 THR 36 3HG2 THR 36 9.023 -2.095 6.995
119 H GLY 37 H GLY 37 8.145 -1.055 1.649
120 1HA GLY 37 2HA GLY 37 10.452 -1.920 0.271
121 2HA GLY 37 1HA GLY 37 10.369 -0.178 0.032
122 H HIS 38 H HIS 38 7.148 -1.277 0.117
123 HA HIS 38 HA HIS 38 6.966 -2.432 -2.498
124 1HB HIS 38 1HB HIS 38 4.721 -2.655 -2.102
125 2HB HIS 38 2HB HIS 38 5.407 -2.763 -0.507
126 HD1 HIS 38 HD1 HIS 38 5.309 0.839 -0.925
127 HD2 HIS 38 HD2 HIS 38 2.417 -2.197 -0.616
128 HE1 HIS 38 HE1 HIS 38 3.125 1.988 -0.290
129 H VAL 39 H VAL 39 5.237 -1.567 -4.050
130 HA VAL 39 HA VAL 39 5.437 1.355 -4.608
131 HB VAL 39 HB VAL 39 5.748 -0.861 -6.685
132 1HG1 VAL 39 2HG1 VAL 39 5.885 2.177 -6.965
133 2HG1 VAL 39 3HG1 VAL 39 6.381 1.022 -8.218
134 3HG1 VAL 39 1HG1 VAL 39 4.701 1.083 -7.730
135 1HG2 VAL 39 3HG2 VAL 39 7.821 1.095 -5.594
136 2HG2 VAL 39 1HG2 VAL 39 7.830 -0.672 -5.396
137 3HG2 VAL 39 2HG2 VAL 39 8.059 0.024 -6.994
138 H MET 40 H MET 40 3.576 2.098 -5.942
139 HA MET 40 HA MET 40 1.116 1.225 -4.932
140 1HB MET 40 1HB MET 40 1.581 2.792 -7.489
141 2HB MET 40 2HB MET 40 0.073 2.697 -6.579
142 1HG MET 40 1HG MET 40 2.673 4.003 -5.739
143 2HG MET 40 2HG MET 40 1.127 4.774 -6.040
144 1HE MET 40 1HE MET 40 -1.007 4.532 -4.408
145 2HE MET 40 2HE MET 40 -0.891 2.755 -4.357
146 3HE MET 40 3HE MET 40 -0.960 3.681 -2.848
147 H ALA 41 H ALA 41 2.764 -0.134 -7.698
148 HA ALA 41 HA ALA 41 0.519 -1.561 -8.829
149 1HB ALA 41 2HB ALA 41 2.604 -1.091 -10.060
150 2HB ALA 41 3HB ALA 41 3.522 -2.108 -8.923
151 3HB ALA 41 1HB ALA 41 2.291 -2.834 -9.979
152 H LYS 42 H LYS 42 2.773 -2.277 -6.176
153 HA LYS 42 HA LYS 42 1.872 -5.060 -5.777
154 1HB LYS 42 1HB LYS 42 4.203 -4.176 -5.414
155 2HB LYS 42 2HB LYS 42 3.618 -3.230 -4.063
156 1HG LYS 42 1HG LYS 42 3.600 -6.275 -4.233
157 2HG LYS 42 2HG LYS 42 4.838 -5.285 -3.464
158 1HD LYS 42 1HD LYS 42 2.875 -4.348 -1.997
159 2HD LYS 42 2HD LYS 42 2.018 -5.813 -2.550
160 1HE LYS 42 1HE LYS 42 3.907 -7.199 -1.704
161 2HE LYS 42 2HE LYS 42 4.718 -5.737 -1.135
162 1HZ LYS 42 3HZ LYS 42 2.770 -5.357 0.364
163 2HZ LYS 42 1HZ LYS 42 2.116 -6.775 -0.143
164 3HZ LYS 42 2HZ LYS 42 3.520 -6.774 0.672
165 H CYS 43 H CYS 43 1.639 -1.998 -4.070
166 HA CYS 43 HA CYS 43 0.551 -2.034 -1.811
167 1HB CYS 43 1HB CYS 43 0.850 -0.144 -3.343
168 2HB CYS 43 2HB CYS 43 -0.725 -0.489 -4.076
169 HA PRO 44 HA PRO 44 -3.008 -4.958 -2.169
170 1HB PRO 44 1HB PRO 44 -2.272 -5.301 0.736
171 2HB PRO 44 2HB PRO 44 -2.801 -6.535 -0.452
172 1HG PRO 44 1HG PRO 44 -0.189 -6.312 0.174
173 2HG PRO 44 2HG PRO 44 -0.663 -6.480 -1.554
174 1HD PRO 44 1HD PRO 44 -0.017 -3.963 -0.016
175 2HD PRO 44 2HD PRO 44 0.606 -4.457 -1.599
176 H GLU 45 H GLU 45 -2.500 -2.271 0.137
177 HA GLU 45 HA GLU 45 -5.020 -2.412 1.425
178 1HB GLU 45 1HB GLU 45 -3.067 -1.223 2.286
179 2HB GLU 45 2HB GLU 45 -3.194 -0.037 0.987
180 1HG GLU 45 1HG GLU 45 -3.963 0.913 3.026
181 2HG GLU 45 2HG GLU 45 -5.330 0.773 1.937
182 H ARG 46 H ARG 46 -4.465 -1.462 -1.804
183 HA ARG 46 HA ARG 46 -6.829 0.027 -2.470
184 1HB ARG 46 1HB ARG 46 -5.597 -2.364 -3.871
185 2HB ARG 46 2HB ARG 46 -6.718 -1.219 -4.611
186 1HG ARG 46 1HG ARG 46 -5.047 0.585 -4.437
187 2HG ARG 46 2HG ARG 46 -3.913 -0.503 -3.648
188 1HD ARG 46 1HD ARG 46 -4.926 -0.615 -6.506
189 2HD ARG 46 2HD ARG 46 -3.268 -0.375 -5.953
190 HE ARG 46 HE ARG 46 -4.802 -2.950 -5.607
191 1HH1 ARG 46 2HH1 ARG 46 -1.662 -1.511 -6.432
192 2HH1 ARG 46 1HH1 ARG 46 -1.021 -3.108 -6.734
193 1HH2 ARG 46 1HH2 ARG 46 -3.825 -4.791 -5.767
194 2HH2 ARG 46 2HH2 ARG 46 -2.117 -4.898 -6.170
195 H GLN 47 H GLN 47 -6.377 -3.353 -1.604
196 HA GLN 47 HA GLN 47 -9.273 -4.022 -2.018
197 1HB GLN 47 1HB GLN 47 -6.693 -5.544 -2.560
198 2HB GLN 47 2HB GLN 47 -8.295 -6.258 -2.713
199 1HG GLN 47 1HG GLN 47 -8.811 -5.103 -4.657
200 2HG GLN 47 2HG GLN 47 -7.759 -3.744 -4.297
201 1HE2 GLN 47 2HE2 GLN 47 -7.761 -7.094 -5.549
202 2HE2 GLN 47 1HE2 GLN 47 -6.161 -6.954 -6.263
203 H ALA 48 H ALA 48 -6.520 -4.361 0.157
204 HA ALA 48 HA ALA 48 -7.449 -6.590 1.668
205 1HB ALA 48 2HB ALA 48 -5.345 -4.484 2.327
206 2HB ALA 48 3HB ALA 48 -5.481 -6.105 3.042
207 3HB ALA 48 1HB ALA 48 -5.083 -5.935 1.329
208 H GLY 49 H GLY 49 -9.485 -4.474 1.630
209 1HA GLY 49 2HA GLY 49 -9.841 -3.784 4.528
210 2HA GLY 49 1HA GLY 49 -11.049 -4.706 3.633
No H/Q in entry = 210
Start of MODEL 24
1 H1 ARG 23 2H ARG 23 -7.658 0.441 3.101
2 H2 ARG 23 1H ARG 23 -8.878 -0.662 2.857
3 H3 ARG 23 3H ARG 23 -7.455 -0.810 2.085
4 HA ARG 23 HA ARG 23 -9.009 -0.043 0.550
5 1HB ARG 23 1HB ARG 23 -10.273 1.223 2.634
6 2HB ARG 23 2HB ARG 23 -9.503 2.588 1.833
7 1HG ARG 23 1HG ARG 23 -11.528 2.455 0.699
8 2HG ARG 23 2HG ARG 23 -10.489 1.538 -0.382
9 1HD ARG 23 1HD ARG 23 -12.543 0.512 1.614
10 2HD ARG 23 2HD ARG 23 -12.592 0.351 -0.136
11 HE ARG 23 HE ARG 23 -11.131 -1.316 1.805
12 1HH1 ARG 23 1HH1 ARG 23 -11.338 -0.659 -1.663
13 2HH1 ARG 23 2HH1 ARG 23 -10.325 -2.049 -2.003
14 1HH2 ARG 23 2HH2 ARG 23 -9.950 -2.934 1.278
15 2HH2 ARG 23 1HH2 ARG 23 -9.652 -3.352 -0.424
16 H ALA 24 H ALA 24 -6.768 2.307 2.218
17 HA ALA 24 HA ALA 24 -5.357 2.736 -0.289
18 1HB ALA 24 2HB ALA 24 -7.172 4.918 0.868
19 2HB ALA 24 1HB ALA 24 -7.403 4.086 -0.685
20 3HB ALA 24 3HB ALA 24 -6.017 5.156 -0.457
21 HA PRO 25 HA PRO 25 -2.037 4.106 2.409
22 1HB PRO 25 1HB PRO 25 -1.785 6.530 0.640
23 2HB PRO 25 2HB PRO 25 -0.514 5.403 1.197
24 1HG PRO 25 1HG PRO 25 -1.548 5.300 -1.337
25 2HG PRO 25 2HG PRO 25 -1.088 3.816 -0.460
26 1HD PRO 25 1HD PRO 25 -3.813 4.948 -0.949
27 2HD PRO 25 2HD PRO 25 -3.289 3.242 -0.829
28 H ARG 26 H ARG 26 -4.374 6.562 1.413
29 HA ARG 26 HA ARG 26 -4.069 8.615 3.237
30 1HB ARG 26 1HB ARG 26 -5.537 8.681 1.296
31 2HB ARG 26 2HB ARG 26 -6.570 7.424 1.968
32 1HG ARG 26 1HG ARG 26 -7.638 9.604 2.108
33 2HG ARG 26 2HG ARG 26 -7.378 8.932 3.708
34 1HD ARG 26 1HD ARG 26 -5.274 10.412 3.863
35 2HD ARG 26 2HD ARG 26 -5.774 11.132 2.337
36 HE ARG 26 HE ARG 26 -7.477 12.289 3.423
37 1HH1 ARG 26 2HH1 ARG 26 -6.223 9.931 5.730
38 2HH1 ARG 26 1HH1 ARG 26 -7.043 10.701 7.062
39 1HH2 ARG 26 2HH2 ARG 26 -8.514 13.162 5.175
40 2HH2 ARG 26 1HH2 ARG 26 -8.316 12.454 6.752
41 H ARG 27 H ARG 27 -5.378 5.469 4.061
42 HA ARG 27 HA ARG 27 -6.148 6.513 6.778
43 1HB ARG 27 1HB ARG 27 -7.953 5.017 6.847
44 2HB ARG 27 2HB ARG 27 -8.004 5.749 5.258
45 1HG ARG 27 1HG ARG 27 -8.105 3.678 4.369
46 2HG ARG 27 2HG ARG 27 -6.435 3.428 4.868
47 1HD ARG 27 1HD ARG 27 -7.430 2.726 7.172
48 2HD ARG 27 2HD ARG 27 -8.980 2.660 6.326
49 HE ARG 27 HE ARG 27 -6.658 1.170 5.178
50 1HH1 ARG 27 1HH1 ARG 27 -9.858 0.829 6.691
51 2HH1 ARG 27 2HH1 ARG 27 -9.883 -0.865 6.195
52 1HH2 ARG 27 2HH2 ARG 27 -6.779 -1.013 4.930
53 2HH2 ARG 27 1HH2 ARG 27 -8.315 -1.811 5.342
54 H GLN 28 H GLN 28 -3.638 4.928 5.494
55 HA GLN 28 HA GLN 28 -3.199 3.261 7.934
56 1HB GLN 28 1HB GLN 28 -4.278 2.130 5.678
57 2HB GLN 28 2HB GLN 28 -2.579 2.040 5.264
58 1HG GLN 28 1HG GLN 28 -2.816 0.027 6.311
59 2HG GLN 28 2HG GLN 28 -2.376 0.979 7.726
60 1HE2 GLN 28 2HE2 GLN 28 -4.985 2.255 8.303
61 2HE2 GLN 28 1HE2 GLN 28 -6.032 0.915 8.724
62 H GLY 29 H GLY 29 -1.801 5.393 5.634
63 1HA GLY 29 2HA GLY 29 0.859 5.380 6.633
64 2HA GLY 29 1HA GLY 29 0.324 5.982 5.058
65 H CYS 30 H CYS 30 -0.714 3.243 4.385
66 HA CYS 30 HA CYS 30 -0.269 1.107 3.999
67 1HB CYS 30 1HB CYS 30 1.711 2.689 2.374
68 2HB CYS 30 2HB CYS 30 1.657 0.922 2.233
69 H TRP 31 H TRP 31 1.227 1.924 6.567
70 HA TRP 31 HA TRP 31 3.731 0.560 6.502
71 1HB TRP 31 1HB TRP 31 2.875 2.258 8.198
72 2HB TRP 31 2HB TRP 31 2.037 0.923 8.987
73 HD1 TRP 31 HD1 TRP 31 3.479 -0.505 10.617
74 HE1 TRP 31 HE1 TRP 31 5.956 -0.606 11.290
75 HE3 TRP 31 HE3 TRP 31 5.408 2.663 7.083
76 HZ2 TRP 31 HZ2 TRP 31 8.459 0.534 10.402
77 HZ3 TRP 31 HZ3 TRP 31 7.853 3.135 7.019
78 HH2 TRP 31 HH2 TRP 31 9.380 2.081 8.669
79 H LYS 32 H LYS 32 0.521 -0.658 7.356
80 HA LYS 32 HA LYS 32 1.214 -3.425 7.896
81 1HB LYS 32 1HB LYS 32 -0.932 -2.331 8.531
82 2HB LYS 32 2HB LYS 32 -1.307 -2.077 6.833
83 1HG LYS 32 1HG LYS 32 -1.209 -4.707 6.635
84 2HG LYS 32 2HG LYS 32 -1.232 -4.679 8.400
85 1HD LYS 32 1HD LYS 32 -3.503 -4.948 7.689
86 2HD LYS 32 2HD LYS 32 -3.360 -3.267 8.228
87 1HE LYS 32 1HE LYS 32 -2.918 -2.659 5.766
88 2HE LYS 32 2HE LYS 32 -3.341 -4.320 5.352
89 1HZ LYS 32 1HZ LYS 32 -5.114 -2.422 6.792
90 2HZ LYS 32 2HZ LYS 32 -5.177 -2.668 5.192
91 3HZ LYS 32 3HZ LYS 32 -5.572 -3.905 6.209
92 H CYS 33 H CYS 33 0.223 -1.690 5.003
93 HA CYS 33 HA CYS 33 -0.142 -3.850 3.214
94 1HB CYS 33 1HB CYS 33 -1.296 -1.862 2.893
95 2HB CYS 33 2HB CYS 33 0.130 -0.845 3.128
96 H GLY 34 H GLY 34 2.648 -1.642 3.596
97 1HA GLY 34 2HA GLY 34 4.303 -3.229 1.702
98 2HA GLY 34 1HA GLY 34 4.752 -3.286 3.403
99 H LYS 35 H LYS 35 3.889 -0.226 3.491
100 HA LYS 35 HA LYS 35 5.419 1.286 1.721
101 1HB LYS 35 1HB LYS 35 3.656 2.095 3.203
102 2HB LYS 35 2HB LYS 35 4.699 1.957 4.608
103 1HG LYS 35 1HG LYS 35 5.670 3.603 2.272
104 2HG LYS 35 2HG LYS 35 4.307 4.240 3.170
105 1HD LYS 35 1HD LYS 35 5.472 4.492 5.163
106 2HD LYS 35 2HD LYS 35 6.748 3.352 4.737
107 1HE LYS 35 1HE LYS 35 6.327 5.942 3.203
108 2HE LYS 35 2HE LYS 35 7.301 5.887 4.677
109 1HZ LYS 35 2HZ LYS 35 7.854 4.125 2.352
110 2HZ LYS 35 3HZ LYS 35 8.607 5.568 2.585
111 3HZ LYS 35 1HZ LYS 35 8.795 4.348 3.653
112 H THR 36 H THR 36 6.757 -0.621 4.224
113 HA THR 36 HA THR 36 9.315 0.590 4.615
114 HB THR 36 HB THR 36 10.029 -1.762 5.120
115 HG1 THR 36 HG1 THR 36 8.427 -3.341 5.077
116 1HG2 THR 36 3HG2 THR 36 8.980 -0.331 6.871
117 2HG2 THR 36 1HG2 THR 36 7.381 -0.965 6.424
118 3HG2 THR 36 2HG2 THR 36 8.618 -2.050 7.093
119 H GLY 37 H GLY 37 8.011 -1.042 1.770
120 1HA GLY 37 2HA GLY 37 10.399 -1.773 0.448
121 2HA GLY 37 1HA GLY 37 10.201 -0.043 0.187
122 H HIS 38 H HIS 38 7.044 -1.186 0.194
123 HA HIS 38 HA HIS 38 6.904 -2.544 -2.306
124 1HB HIS 38 1HB HIS 38 4.591 -2.560 -2.002
125 2HB HIS 38 2HB HIS 38 5.269 -2.678 -0.402
126 HD1 HIS 38 HD1 HIS 38 5.397 0.941 -1.102
127 HD2 HIS 38 HD2 HIS 38 2.418 -1.918 -0.348
128 HE1 HIS 38 HE1 HIS 38 3.325 2.244 -0.381
129 H VAL 39 H VAL 39 5.189 -1.789 -3.969
130 HA VAL 39 HA VAL 39 5.562 1.035 -4.845
131 HB VAL 39 HB VAL 39 5.768 -1.376 -6.702
132 1HG1 VAL 39 3HG1 VAL 39 6.297 1.596 -7.177
133 2HG1 VAL 39 1HG1 VAL 39 6.612 0.295 -8.343
134 3HG1 VAL 39 2HG1 VAL 39 4.960 0.646 -7.868
135 1HG2 VAL 39 3HG2 VAL 39 8.004 0.413 -5.652
136 2HG2 VAL 39 1HG2 VAL 39 7.813 -1.329 -5.352
137 3HG2 VAL 39 2HG2 VAL 39 8.167 -0.760 -6.978
138 H MET 40 H MET 40 3.790 1.859 -6.031
139 HA MET 40 HA MET 40 1.192 0.913 -5.392
140 1HB MET 40 1HB MET 40 2.054 2.851 -7.566
141 2HB MET 40 2HB MET 40 0.399 2.631 -6.985
142 1HG MET 40 1HG MET 40 2.751 3.608 -5.321
143 2HG MET 40 2HG MET 40 1.451 4.598 -5.971
144 1HE MET 40 1HE MET 40 2.523 4.437 -2.892
145 2HE MET 40 2HE MET 40 1.293 5.601 -3.439
146 3HE MET 40 3HE MET 40 0.984 4.579 -2.017
147 H ALA 41 H ALA 41 3.242 -0.175 -7.938
148 HA ALA 41 HA ALA 41 1.348 -1.381 -9.689
149 1HB ALA 41 1HB ALA 41 3.751 -1.085 -10.181
150 2HB ALA 41 2HB ALA 41 4.167 -2.243 -8.894
151 3HB ALA 41 3HB ALA 41 3.271 -2.785 -10.331
152 H LYS 42 H LYS 42 2.134 -2.206 -6.392
153 HA LYS 42 HA LYS 42 0.393 -4.630 -6.617
154 1HB LYS 42 1HB LYS 42 2.765 -5.314 -6.481
155 2HB LYS 42 2HB LYS 42 2.953 -4.381 -5.005
156 1HG LYS 42 1HG LYS 42 2.793 -6.633 -4.382
157 2HG LYS 42 2HG LYS 42 1.296 -5.903 -3.863
158 1HD LYS 42 1HD LYS 42 1.618 -7.531 -6.426
159 2HD LYS 42 2HD LYS 42 1.222 -8.245 -4.878
160 1HE LYS 42 1HE LYS 42 -0.538 -6.332 -6.463
161 2HE LYS 42 2HE LYS 42 -0.749 -8.064 -6.255
162 1HZ LYS 42 3HZ LYS 42 -0.962 -7.594 -3.805
163 2HZ LYS 42 1HZ LYS 42 -1.047 -5.983 -4.180
164 3HZ LYS 42 2HZ LYS 42 -2.189 -7.008 -4.703
165 H CYS 43 H CYS 43 1.616 -2.138 -4.359
166 HA CYS 43 HA CYS 43 0.855 -1.925 -2.104
167 1HB CYS 43 1HB CYS 43 0.831 0.017 -3.516
168 2HB CYS 43 2HB CYS 43 -0.846 -0.300 -3.995
169 HA PRO 44 HA PRO 44 -2.483 -5.077 -1.649
170 1HB PRO 44 1HB PRO 44 -1.068 -5.040 1.026
171 2HB PRO 44 2HB PRO 44 -1.807 -6.430 0.165
172 1HG PRO 44 1HG PRO 44 0.856 -6.035 0.014
173 2HG PRO 44 2HG PRO 44 -0.060 -6.426 -1.479
174 1HD PRO 44 1HD PRO 44 0.918 -3.745 -0.514
175 2HD PRO 44 2HD PRO 44 0.946 -4.422 -2.154
176 H GLU 45 H GLU 45 -2.025 -2.097 0.257
177 HA GLU 45 HA GLU 45 -4.147 -2.318 2.056
178 1HB GLU 45 1HB GLU 45 -2.493 -0.206 1.114
179 2HB GLU 45 2HB GLU 45 -4.124 0.366 0.872
180 1HG GLU 45 1HG GLU 45 -2.870 -0.535 3.495
181 2HG GLU 45 2HG GLU 45 -3.305 1.100 3.023
182 H ARG 46 H ARG 46 -4.384 -1.780 -1.401
183 HA ARG 46 HA ARG 46 -7.187 -1.028 -1.533
184 1HB ARG 46 1HB ARG 46 -5.315 -2.279 -3.572
185 2HB ARG 46 2HB ARG 46 -6.910 -1.616 -3.947
186 1HG ARG 46 1HG ARG 46 -6.259 0.620 -3.289
187 2HG ARG 46 2HG ARG 46 -4.702 0.072 -2.665
188 1HD ARG 46 1HD ARG 46 -5.553 -0.061 -5.577
189 2HD ARG 46 2HD ARG 46 -4.489 1.157 -4.846
190 HE ARG 46 HE ARG 46 -3.492 -1.487 -4.289
191 1HH1 ARG 46 1HH2 ARG 46 -3.384 1.008 -6.769
192 2HH1 ARG 46 2HH2 ARG 46 -1.926 0.316 -7.453
193 1HH2 ARG 46 2HH1 ARG 46 -1.858 -2.418 -5.434
194 2HH2 ARG 46 1HH1 ARG 46 -1.114 -1.490 -6.738
195 H GLN 47 H GLN 47 -5.698 -4.050 -0.927
196 HA GLN 47 HA GLN 47 -8.205 -5.586 -1.524
197 1HB GLN 47 1HB GLN 47 -5.316 -6.524 -1.282
198 2HB GLN 47 2HB GLN 47 -6.714 -7.540 -1.640
199 1HG GLN 47 1HG GLN 47 -7.090 -6.291 -3.756
200 2HG GLN 47 2HG GLN 47 -5.690 -5.270 -3.412
201 1HE2 GLN 47 1HE2 GLN 47 -6.661 -8.644 -4.182
202 2HE2 GLN 47 2HE2 GLN 47 -5.062 -9.101 -4.751
203 H ALA 48 H ALA 48 -5.804 -4.827 0.960
204 HA ALA 48 HA ALA 48 -6.679 -6.749 2.903
205 1HB ALA 48 2HB ALA 48 -4.873 -4.308 3.153
206 2HB ALA 48 3HB ALA 48 -4.963 -5.689 4.278
207 3HB ALA 48 1HB ALA 48 -4.361 -5.930 2.633
208 H GLY 49 H GLY 49 -9.000 -5.552 2.294
209 1HA GLY 49 2HA GLY 49 -10.184 -4.920 4.767
210 2HA GLY 49 1HA GLY 49 -10.936 -4.657 3.195
No H/Q in entry = 210
Start of MODEL 25
1 H1 ARG 23 2H ARG 23 -7.657 -1.002 0.450
2 H2 ARG 23 1H ARG 23 -7.308 -0.558 1.999
3 H3 ARG 23 3H ARG 23 -8.283 -1.854 1.706
4 HA ARG 23 HA ARG 23 -9.909 -0.453 0.640
5 1HB ARG 23 1HB ARG 23 -9.922 -1.045 3.105
6 2HB ARG 23 2HB ARG 23 -9.390 0.600 3.444
7 1HG ARG 23 1HG ARG 23 -11.403 1.529 2.439
8 2HG ARG 23 2HG ARG 23 -11.858 -0.032 1.749
9 1HD ARG 23 1HD ARG 23 -11.790 0.660 4.711
10 2HD ARG 23 2HD ARG 23 -13.238 0.481 3.699
11 HE ARG 23 HE ARG 23 -11.772 -1.926 3.467
12 1HH1 ARG 23 2HH2 ARG 23 -13.774 -0.361 5.869
13 2HH1 ARG 23 1HH2 ARG 23 -13.931 -1.826 6.805
14 1HH2 ARG 23 1HH1 ARG 23 -11.713 -3.582 4.836
15 2HH2 ARG 23 2HH1 ARG 23 -12.856 -3.676 6.165
16 H ALA 24 H ALA 24 -7.433 1.595 2.291
17 HA ALA 24 HA ALA 24 -7.180 3.310 0.025
18 1HB ALA 24 1HB ALA 24 -8.590 4.467 2.486
19 2HB ALA 24 3HB ALA 24 -9.288 4.306 0.859
20 3HB ALA 24 2HB ALA 24 -7.942 5.421 1.132
21 HA PRO 25 HA PRO 25 -3.184 3.519 2.179
22 1HB PRO 25 1HB PRO 25 -3.121 6.212 0.789
23 2HB PRO 25 2HB PRO 25 -1.798 5.023 0.990
24 1HG PRO 25 1HG PRO 25 -3.158 5.123 -1.340
25 2HG PRO 25 2HG PRO 25 -2.812 3.528 -0.593
26 1HD PRO 25 1HD PRO 25 -5.387 5.111 -0.544
27 2HD PRO 25 2HD PRO 25 -5.135 3.353 -0.773
28 H ARG 26 H ARG 26 -5.363 6.324 2.253
29 HA ARG 26 HA ARG 26 -4.471 7.792 4.440
30 1HB ARG 26 1HB ARG 26 -6.264 8.421 2.870
31 2HB ARG 26 2HB ARG 26 -7.305 7.162 3.518
32 1HG ARG 26 1HG ARG 26 -8.031 9.297 4.294
33 2HG ARG 26 2HG ARG 26 -7.470 8.375 5.675
34 1HD ARG 26 1HD ARG 26 -5.727 10.432 4.248
35 2HD ARG 26 2HD ARG 26 -6.874 10.873 5.523
36 HE ARG 26 HE ARG 26 -5.258 8.765 6.521
37 1HH1 ARG 26 2HH2 ARG 26 -4.897 12.168 5.752
38 2HH1 ARG 26 1HH2 ARG 26 -3.616 12.382 6.913
39 1HH2 ARG 26 1HH1 ARG 26 -3.628 9.091 7.943
40 2HH2 ARG 26 2HH1 ARG 26 -2.913 10.669 8.128
41 H ARG 27 H ARG 27 -6.250 4.701 4.641
42 HA ARG 27 HA ARG 27 -6.819 5.091 7.506
43 1HB ARG 27 1HB ARG 27 -8.172 3.188 7.383
44 2HB ARG 27 2HB ARG 27 -8.398 4.022 5.862
45 1HG ARG 27 1HG ARG 27 -8.017 2.061 4.835
46 2HG ARG 27 2HG ARG 27 -6.320 2.222 5.280
47 1HD ARG 27 1HD ARG 27 -6.833 1.020 7.440
48 2HD ARG 27 2HD ARG 27 -8.478 0.758 6.849
49 HE ARG 27 HE ARG 27 -5.997 -0.216 5.427
50 1HH1 ARG 27 1HH2 ARG 27 -9.358 -0.999 6.260
51 2HH1 ARG 27 2HH2 ARG 27 -9.287 -2.393 5.180
52 1HH2 ARG 27 2HH1 ARG 27 -6.027 -1.875 4.312
53 2HH2 ARG 27 1HH1 ARG 27 -7.499 -2.829 4.038
54 H GLN 28 H GLN 28 -4.123 3.916 5.888
55 HA GLN 28 HA GLN 28 -3.164 2.380 8.274
56 1HB GLN 28 1HB GLN 28 -4.288 0.910 6.625
57 2HB GLN 28 2HB GLN 28 -3.213 1.489 5.360
58 1HG GLN 28 1HG GLN 28 -2.621 -0.752 6.138
59 2HG GLN 28 2HG GLN 28 -1.307 0.372 6.404
60 1HE2 GLN 28 2HE2 GLN 28 -0.896 1.085 8.662
61 2HE2 GLN 28 1HE2 GLN 28 -1.436 0.042 9.978
62 H GLY 29 H GLY 29 -2.389 4.734 5.902
63 1HA GLY 29 2HA GLY 29 0.317 5.170 6.710
64 2HA GLY 29 1HA GLY 29 -0.484 5.793 5.259
65 H CYS 30 H CYS 30 -1.076 2.985 4.344
66 HA CYS 30 HA CYS 30 -0.297 1.122 3.418
67 1HB CYS 30 1HB CYS 30 1.933 3.017 2.610
68 2HB CYS 30 2HB CYS 30 1.865 1.349 2.063
69 H TRP 31 H TRP 31 1.002 1.923 6.310
70 HA TRP 31 HA TRP 31 3.557 0.789 6.336
71 1HB TRP 31 1HB TRP 31 2.544 2.234 8.089
72 2HB TRP 31 2HB TRP 31 1.611 0.854 8.664
73 HD1 TRP 31 HD1 TRP 31 2.763 -0.573 10.468
74 HE1 TRP 31 HE1 TRP 31 5.137 -0.836 11.413
75 HE3 TRP 31 HE3 TRP 31 5.266 2.493 7.226
76 HZ2 TRP 31 HZ2 TRP 31 7.795 0.129 10.807
77 HZ3 TRP 31 HZ3 TRP 31 7.729 2.788 7.412
78 HH2 TRP 31 HH2 TRP 31 8.999 1.615 9.197
79 H LYS 32 H LYS 32 0.534 -0.895 7.168
80 HA LYS 32 HA LYS 32 1.732 -3.520 7.533
81 1HB LYS 32 1HB LYS 32 -0.409 -2.726 8.534
82 2HB LYS 32 2HB LYS 32 -1.136 -2.693 6.921
83 1HG LYS 32 1HG LYS 32 -0.786 -5.152 6.719
84 2HG LYS 32 2HG LYS 32 -0.103 -5.187 8.354
85 1HD LYS 32 1HD LYS 32 -2.899 -4.190 7.641
86 2HD LYS 32 2HD LYS 32 -2.555 -5.838 8.167
87 1HE LYS 32 1HE LYS 32 -2.262 -5.275 10.354
88 2HE LYS 32 2HE LYS 32 -1.466 -3.747 9.981
89 1HZ LYS 32 3HZ LYS 32 -4.394 -4.169 9.751
90 2HZ LYS 32 1HZ LYS 32 -3.655 -3.410 10.995
91 3HZ LYS 32 2HZ LYS 32 -3.588 -2.754 9.499
92 H CYS 33 H CYS 33 0.287 -1.845 4.742
93 HA CYS 33 HA CYS 33 0.027 -4.245 3.177
94 1HB CYS 33 1HB CYS 33 -1.226 -2.981 1.798
95 2HB CYS 33 2HB CYS 33 -1.338 -1.985 3.229
96 H GLY 34 H GLY 34 2.504 -1.754 3.403
97 1HA GLY 34 2HA GLY 34 4.206 -3.118 1.378
98 2HA GLY 34 1HA GLY 34 4.622 -3.334 3.070
99 H LYS 35 H LYS 35 3.778 -0.263 3.418
100 HA LYS 35 HA LYS 35 5.241 1.465 1.882
101 1HB LYS 35 1HB LYS 35 3.774 1.908 3.975
102 2HB LYS 35 2HB LYS 35 5.261 1.718 4.902
103 1HG LYS 35 1HG LYS 35 6.169 3.596 3.237
104 2HG LYS 35 2HG LYS 35 4.455 3.826 2.886
105 1HD LYS 35 1HD LYS 35 4.213 3.981 5.520
106 2HD LYS 35 2HD LYS 35 5.962 4.155 5.508
107 1HE LYS 35 1HE LYS 35 4.985 6.339 5.614
108 2HE LYS 35 2HE LYS 35 5.748 6.161 4.029
109 1HZ LYS 35 2HZ LYS 35 2.859 5.652 4.478
110 2HZ LYS 35 3HZ LYS 35 3.426 7.136 4.042
111 3HZ LYS 35 1HZ LYS 35 3.604 5.858 3.041
112 H THR 36 H THR 36 6.682 -0.664 4.251
113 HA THR 36 HA THR 36 9.273 0.431 4.564
114 HB THR 36 HB THR 36 9.902 -1.915 5.172
115 HG1 THR 36 HG1 THR 36 8.253 -3.451 5.146
116 1HG2 THR 36 2HG2 THR 36 8.830 -0.390 6.841
117 2HG2 THR 36 3HG2 THR 36 7.236 -1.027 6.382
118 3HG2 THR 36 1HG2 THR 36 8.447 -2.095 7.121
119 H GLY 37 H GLY 37 7.962 -1.135 1.716
120 1HA GLY 37 2HA GLY 37 10.310 -2.078 0.461
121 2HA GLY 37 1HA GLY 37 10.292 -0.333 0.219
122 H HIS 38 H HIS 38 7.041 -1.237 0.132
123 HA HIS 38 HA HIS 38 6.899 -2.492 -2.431
124 1HB HIS 38 1HB HIS 38 4.588 -2.445 -2.171
125 2HB HIS 38 2HB HIS 38 5.220 -2.651 -0.563
126 HD1 HIS 38 HD1 HIS 38 5.478 0.974 -1.092
127 HD2 HIS 38 HD2 HIS 38 2.363 -1.793 -0.530
128 HE1 HIS 38 HE1 HIS 38 3.438 2.325 -0.373
129 H VAL 39 H VAL 39 5.347 -1.630 -4.108
130 HA VAL 39 HA VAL 39 5.617 1.263 -4.757
131 HB VAL 39 HB VAL 39 5.966 -1.042 -6.729
132 1HG1 VAL 39 1HG1 VAL 39 6.025 1.975 -7.184
133 2HG1 VAL 39 2HG1 VAL 39 6.553 0.761 -8.365
134 3HG1 VAL 39 3HG1 VAL 39 4.869 0.809 -7.883
135 1HG2 VAL 39 2HG2 VAL 39 7.974 1.031 -5.740
136 2HG2 VAL 39 3HG2 VAL 39 8.023 -0.717 -5.421
137 3HG2 VAL 39 1HG2 VAL 39 8.255 -0.125 -7.062
138 H MET 40 H MET 40 3.777 2.019 -6.044
139 HA MET 40 HA MET 40 1.314 1.270 -5.057
140 1HB MET 40 1HB MET 40 0.309 2.664 -6.763
141 2HB MET 40 2HB MET 40 1.756 3.408 -6.085
142 1HG MET 40 1HG MET 40 3.051 2.704 -8.098
143 2HG MET 40 2HG MET 40 1.600 1.946 -8.754
144 1HE MET 40 3HE MET 40 3.511 5.253 -7.991
145 2HE MET 40 1HE MET 40 2.331 6.513 -8.411
146 3HE MET 40 2HE MET 40 2.092 5.532 -6.952
147 H ALA 41 H ALA 41 2.835 -0.263 -7.870
148 HA ALA 41 HA ALA 41 0.546 -1.653 -8.867
149 1HB ALA 41 3HB ALA 41 2.676 -1.430 -10.087
150 2HB ALA 41 1HB ALA 41 3.503 -2.426 -8.866
151 3HB ALA 41 2HB ALA 41 2.238 -3.137 -9.891
152 H LYS 42 H LYS 42 2.882 -2.530 -6.304
153 HA LYS 42 HA LYS 42 1.733 -5.141 -5.683
154 1HB LYS 42 1HB LYS 42 4.119 -4.337 -5.339
155 2HB LYS 42 2HB LYS 42 3.551 -3.341 -4.015
156 1HG LYS 42 1HG LYS 42 3.391 -6.386 -4.140
157 2HG LYS 42 2HG LYS 42 4.670 -5.451 -3.372
158 1HD LYS 42 1HD LYS 42 2.819 -4.423 -1.876
159 2HD LYS 42 2HD LYS 42 1.803 -5.762 -2.474
160 1HE LYS 42 1HE LYS 42 3.563 -7.377 -1.727
161 2HE LYS 42 2HE LYS 42 4.473 -6.028 -1.038
162 1HZ LYS 42 3HZ LYS 42 2.525 -5.584 0.424
163 2HZ LYS 42 1HZ LYS 42 1.756 -6.895 -0.197
164 3HZ LYS 42 2HZ LYS 42 3.128 -7.085 0.657
165 H CYS 43 H CYS 43 1.518 -1.904 -4.315
166 HA CYS 43 HA CYS 43 0.615 -2.017 -1.908
167 1HB CYS 43 1HB CYS 43 0.962 -0.021 -3.274
168 2HB CYS 43 2HB CYS 43 -0.674 -0.207 -3.946
169 HA PRO 44 HA PRO 44 -3.114 -4.639 -1.940
170 1HB PRO 44 1HB PRO 44 -2.617 -4.404 1.010
171 2HB PRO 44 2HB PRO 44 -3.075 -5.834 0.047
172 1HG PRO 44 1HG PRO 44 -0.502 -5.478 0.853
173 2HG PRO 44 2HG PRO 44 -0.875 -6.104 -0.786
174 1HD PRO 44 1HD PRO 44 -0.080 -3.300 0.001
175 2HD PRO 44 2HD PRO 44 0.435 -4.270 -1.388
176 H GLU 45 H GLU 45 -2.544 -1.582 -0.162
177 HA GLU 45 HA GLU 45 -5.189 -1.238 0.808
178 1HB GLU 45 1HB GLU 45 -2.940 0.703 0.240
179 2HB GLU 45 2HB GLU 45 -4.526 1.308 0.675
180 1HG GLU 45 1HG GLU 45 -2.847 -0.569 2.354
181 2HG GLU 45 2HG GLU 45 -3.080 1.157 2.637
182 H ARG 46 H ARG 46 -4.125 -0.907 -2.489
183 HA ARG 46 HA ARG 46 -6.202 0.827 -3.479
184 1HB ARG 46 1HB ARG 46 -4.789 -1.532 -4.771
185 2HB ARG 46 2HB ARG 46 -5.821 -0.375 -5.628
186 1HG ARG 46 1HG ARG 46 -4.242 1.458 -4.944
187 2HG ARG 46 2HG ARG 46 -3.143 0.228 -4.309
188 1HD ARG 46 1HD ARG 46 -4.126 0.403 -7.206
189 2HD ARG 46 2HD ARG 46 -2.582 1.000 -6.619
190 HE ARG 46 HE ARG 46 -1.714 -1.123 -6.486
191 1HH1 ARG 46 1HH1 ARG 46 -5.091 -1.461 -7.380
192 2HH1 ARG 46 2HH1 ARG 46 -5.010 -3.198 -7.317
193 1HH2 ARG 46 2HH2 ARG 46 -1.609 -3.339 -6.933
194 2HH2 ARG 46 1HH2 ARG 46 -3.071 -4.184 -7.345
195 H GLN 47 H GLN 47 -6.331 -2.542 -2.516
196 HA GLN 47 HA GLN 47 -8.856 -3.155 -3.895
197 1HB GLN 47 1HB GLN 47 -7.090 -4.659 -1.917
198 2HB GLN 47 2HB GLN 47 -8.641 -5.269 -2.451
199 1HG GLN 47 1HG GLN 47 -6.894 -6.304 -3.738
200 2HG GLN 47 2HG GLN 47 -7.940 -5.338 -4.775
201 1HE2 GLN 47 1HE2 GLN 47 -5.034 -4.432 -2.773
202 2HE2 GLN 47 2HE2 GLN 47 -4.137 -3.812 -4.154
203 H ALA 48 H ALA 48 -10.753 -4.028 -2.597
204 HA ALA 48 HA ALA 48 -11.774 -1.969 -0.935
205 1HB ALA 48 2HB ALA 48 -13.721 -3.462 -0.723
206 2HB ALA 48 3HB ALA 48 -13.132 -3.413 -2.394
207 3HB ALA 48 1HB ALA 48 -12.771 -4.819 -1.363
208 H GLY 49 H GLY 49 -10.195 -4.991 0.003
209 1HA GLY 49 2HA GLY 49 -9.432 -5.803 2.032
210 2HA GLY 49 1HA GLY 49 -11.025 -5.375 2.656
No H/Q in entry = 210
Start of MODEL 26
1 H1 ARG 23 1H ARG 23 -8.530 0.136 1.834
2 H2 ARG 23 3H ARG 23 -9.775 -0.906 1.546
3 H3 ARG 23 2H ARG 23 -8.374 -0.993 0.685
4 HA ARG 23 HA ARG 23 -9.963 -0.002 -0.727
5 1HB ARG 23 1HB ARG 23 -10.435 1.946 1.558
6 2HB ARG 23 2HB ARG 23 -10.939 2.237 -0.100
7 1HG ARG 23 1HG ARG 23 -12.011 0.120 1.781
8 2HG ARG 23 2HG ARG 23 -12.832 1.491 1.063
9 1HD ARG 23 1HD ARG 23 -13.655 -0.202 -0.242
10 2HD ARG 23 2HD ARG 23 -12.304 0.325 -1.241
11 HE ARG 23 HE ARG 23 -12.237 -2.015 0.677
12 1HH1 ARG 23 1HH2 ARG 23 -11.328 -0.905 -2.556
13 2HH1 ARG 23 2HH2 ARG 23 -10.228 -2.254 -2.725
14 1HH2 ARG 23 1HH1 ARG 23 -11.240 -3.708 0.244
15 2HH2 ARG 23 2HH1 ARG 23 -10.394 -4.002 -1.279
16 H ALA 24 H ALA 24 -7.866 2.225 1.249
17 HA ALA 24 HA ALA 24 -6.446 3.060 -1.162
18 1HB ALA 24 2HB ALA 24 -8.380 4.947 0.282
19 2HB ALA 24 1HB ALA 24 -8.553 4.344 -1.382
20 3HB ALA 24 3HB ALA 24 -7.226 5.440 -0.972
21 HA PRO 25 HA PRO 25 -3.269 3.610 1.777
22 1HB PRO 25 1HB PRO 25 -1.815 5.794 0.839
23 2HB PRO 25 2HB PRO 25 -1.762 4.138 0.170
24 1HG PRO 25 1HG PRO 25 -3.409 6.474 -0.808
25 2HG PRO 25 2HG PRO 25 -2.410 5.332 -1.766
26 1HD PRO 25 1HD PRO 25 -5.069 4.995 -1.583
27 2HD PRO 25 2HD PRO 25 -3.987 3.574 -1.471
28 H ARG 26 H ARG 26 -5.188 6.495 1.183
29 HA ARG 26 HA ARG 26 -4.432 8.126 3.345
30 1HB ARG 26 1HB ARG 26 -6.395 9.382 2.882
31 2HB ARG 26 2HB ARG 26 -5.786 8.780 1.361
32 1HG ARG 26 1HG ARG 26 -7.767 7.851 0.882
33 2HG ARG 26 2HG ARG 26 -7.676 6.807 2.290
34 1HD ARG 26 1HD ARG 26 -8.837 9.623 2.187
35 2HD ARG 26 2HD ARG 26 -9.739 8.102 2.292
36 HE ARG 26 HE ARG 26 -7.825 8.513 4.481
37 1HH1 ARG 26 2HH1 ARG 26 -11.128 9.233 3.557
38 2HH1 ARG 26 1HH1 ARG 26 -11.623 9.447 5.215
39 1HH2 ARG 26 2HH2 ARG 26 -8.502 8.779 6.519
40 2HH2 ARG 26 1HH2 ARG 26 -10.159 9.198 6.858
41 H ARG 27 H ARG 27 -5.970 5.119 3.760
42 HA ARG 27 HA ARG 27 -6.923 5.935 6.495
43 1HB ARG 27 1HB ARG 27 -8.565 4.296 6.436
44 2HB ARG 27 2HB ARG 27 -8.586 5.001 4.834
45 1HG ARG 27 1HG ARG 27 -8.657 2.837 4.170
46 2HG ARG 27 2HG ARG 27 -6.905 2.921 4.334
47 1HD ARG 27 1HD ARG 27 -7.134 1.983 6.668
48 2HD ARG 27 2HD ARG 27 -8.872 1.863 6.423
49 HE ARG 27 HE ARG 27 -6.741 0.331 4.955
50 1HH1 ARG 27 1HH1 ARG 27 -10.233 0.617 5.467
51 2HH1 ARG 27 2HH1 ARG 27 -10.471 -0.780 4.414
52 1HH2 ARG 27 2HH2 ARG 27 -7.200 -1.339 3.846
53 2HH2 ARG 27 1HH2 ARG 27 -8.874 -1.904 3.655
54 H GLN 28 H GLN 28 -4.331 4.372 5.072
55 HA GLN 28 HA GLN 28 -3.775 2.767 7.548
56 1HB GLN 28 1HB GLN 28 -4.623 1.561 5.352
57 2HB GLN 28 2HB GLN 28 -2.991 1.867 4.768
58 1HG GLN 28 1HG GLN 28 -2.438 0.755 7.230
59 2HG GLN 28 2HG GLN 28 -3.987 0.000 6.890
60 1HE2 GLN 28 2HE2 GLN 28 -4.077 -1.020 4.486
61 2HE2 GLN 28 1HE2 GLN 28 -2.604 -1.898 4.101
62 H GLY 29 H GLY 29 -2.481 4.997 5.172
63 1HA GLY 29 2HA GLY 29 0.037 5.439 6.425
64 2HA GLY 29 1HA GLY 29 -0.399 5.835 4.754
65 H CYS 30 H CYS 30 -0.983 3.038 4.072
66 HA CYS 30 HA CYS 30 -0.227 0.993 3.666
67 1HB CYS 30 1HB CYS 30 1.844 2.856 2.499
68 2HB CYS 30 2HB CYS 30 1.900 1.115 2.187
69 H TRP 31 H TRP 31 0.685 1.795 6.445
70 HA TRP 31 HA TRP 31 3.340 0.829 6.774
71 1HB TRP 31 1HB TRP 31 2.012 2.422 8.249
72 2HB TRP 31 2HB TRP 31 1.247 1.000 8.954
73 HD1 TRP 31 HD1 TRP 31 2.382 0.391 11.156
74 HE1 TRP 31 HE1 TRP 31 4.746 0.471 12.157
75 HE3 TRP 31 HE3 TRP 31 4.888 2.431 7.174
76 HZ2 TRP 31 HZ2 TRP 31 7.392 1.275 11.323
77 HZ3 TRP 31 HZ3 TRP 31 7.339 2.823 7.299
78 HH2 TRP 31 HH2 TRP 31 8.597 2.249 9.361
79 H LYS 32 H LYS 32 0.442 -1.014 6.526
80 HA LYS 32 HA LYS 32 1.945 -3.514 7.236
81 1HB LYS 32 1HB LYS 32 -0.060 -3.100 8.648
82 2HB LYS 32 2HB LYS 32 -1.057 -2.980 7.200
83 1HG LYS 32 1HG LYS 32 -1.407 -5.141 8.160
84 2HG LYS 32 2HG LYS 32 -0.547 -5.356 6.656
85 1HD LYS 32 1HD LYS 32 1.578 -5.259 8.466
86 2HD LYS 32 2HD LYS 32 0.285 -5.889 9.476
87 1HE LYS 32 1HE LYS 32 1.291 -7.820 8.592
88 2HE LYS 32 2HE LYS 32 -0.155 -7.603 7.601
89 1HZ LYS 32 3HZ LYS 32 1.352 -6.448 5.950
90 2HZ LYS 32 1HZ LYS 32 2.633 -6.882 6.860
91 3HZ LYS 32 2HZ LYS 32 1.714 -8.035 6.166
92 H CYS 33 H CYS 33 0.136 -1.844 4.781
93 HA CYS 33 HA CYS 33 -0.058 -3.695 2.675
94 1HB CYS 33 1HB CYS 33 -0.981 -1.357 2.951
95 2HB CYS 33 2HB CYS 33 0.650 -0.736 2.687
96 H GLY 34 H GLY 34 2.675 -1.624 3.651
97 1HA GLY 34 2HA GLY 34 4.591 -3.300 2.046
98 2HA GLY 34 1HA GLY 34 4.783 -3.012 3.770
99 H LYS 35 H LYS 35 4.025 -0.073 3.518
100 HA LYS 35 HA LYS 35 5.446 1.343 1.611
101 1HB LYS 35 1HB LYS 35 3.840 2.206 3.342
102 2HB LYS 35 2HB LYS 35 5.156 2.179 4.515
103 1HG LYS 35 1HG LYS 35 6.408 3.840 3.153
104 2HG LYS 35 2HG LYS 35 5.185 3.730 1.877
105 1HD LYS 35 1HD LYS 35 4.814 5.757 3.118
106 2HD LYS 35 2HD LYS 35 3.493 4.636 3.458
107 1HE LYS 35 1HE LYS 35 4.837 3.945 5.560
108 2HE LYS 35 2HE LYS 35 5.890 5.326 5.227
109 1HZ LYS 35 1HZ LYS 35 3.869 6.739 5.382
110 2HZ LYS 35 2HZ LYS 35 2.970 5.405 5.737
111 3HZ LYS 35 3HZ LYS 35 4.125 5.923 6.778
112 H THR 36 H THR 36 6.930 -0.323 4.267
113 HA THR 36 HA THR 36 9.505 0.885 4.371
114 HB THR 36 HB THR 36 10.224 -1.368 5.212
115 HG1 THR 36 HG1 THR 36 8.617 -2.923 5.452
116 1HG2 THR 36 1HG2 THR 36 9.218 0.331 6.745
117 2HG2 THR 36 2HG2 THR 36 7.613 -0.372 6.451
118 3HG2 THR 36 3HG2 THR 36 8.879 -1.333 7.245
119 H GLY 37 H GLY 37 8.124 -1.063 1.802
120 1HA GLY 37 2HA GLY 37 10.373 -2.144 0.547
121 2HA GLY 37 1HA GLY 37 10.418 -0.432 0.135
122 H HIS 38 H HIS 38 7.125 -1.328 0.274
123 HA HIS 38 HA HIS 38 6.896 -2.673 -2.243
124 1HB HIS 38 1HB HIS 38 4.636 -2.718 -1.893
125 2HB HIS 38 2HB HIS 38 5.279 -2.743 -0.270
126 HD1 HIS 38 HD1 HIS 38 5.377 0.824 -0.994
127 HD2 HIS 38 HD2 HIS 38 2.347 -2.041 -0.477
128 HE1 HIS 38 HE1 HIS 38 3.248 2.118 -0.449
129 H VAL 39 H VAL 39 5.254 -1.837 -3.902
130 HA VAL 39 HA VAL 39 5.696 1.013 -4.671
131 HB VAL 39 HB VAL 39 5.796 -1.358 -6.586
132 1HG1 VAL 39 3HG1 VAL 39 6.253 1.626 -7.046
133 2HG1 VAL 39 1HG1 VAL 39 6.590 0.349 -8.232
134 3HG1 VAL 39 2HG1 VAL 39 4.936 0.636 -7.725
135 1HG2 VAL 39 1HG2 VAL 39 8.054 0.441 -5.602
136 2HG2 VAL 39 2HG2 VAL 39 7.883 -1.302 -5.294
137 3HG2 VAL 39 3HG2 VAL 39 8.182 -0.733 -6.932
138 H MET 40 H MET 40 3.958 1.925 -5.815
139 HA MET 40 HA MET 40 1.389 1.379 -4.974
140 1HB MET 40 1HB MET 40 2.195 2.778 -7.552
141 2HB MET 40 2HB MET 40 0.633 2.886 -6.750
142 1HG MET 40 1HG MET 40 1.746 4.844 -6.137
143 2HG MET 40 2HG MET 40 1.778 3.812 -4.717
144 1HE MET 40 2HE MET 40 3.787 5.530 -7.595
145 2HE MET 40 3HE MET 40 5.443 4.935 -7.356
146 3HE MET 40 1HE MET 40 4.192 3.838 -7.969
147 H ALA 41 H ALA 41 2.975 -0.102 -7.757
148 HA ALA 41 HA ALA 41 0.662 -1.207 -9.033
149 1HB ALA 41 2HB ALA 41 2.855 -0.913 -10.122
150 2HB ALA 41 3HB ALA 41 3.576 -2.115 -9.024
151 3HB ALA 41 1HB ALA 41 2.331 -2.605 -10.192
152 H LYS 42 H LYS 42 2.550 -2.334 -6.250
153 HA LYS 42 HA LYS 42 1.222 -4.998 -6.175
154 1HB LYS 42 1HB LYS 42 3.684 -4.545 -5.516
155 2HB LYS 42 2HB LYS 42 3.058 -3.730 -4.089
156 1HG LYS 42 1HG LYS 42 1.710 -6.043 -3.781
157 2HG LYS 42 2HG LYS 42 2.946 -6.645 -4.875
158 1HD LYS 42 1HD LYS 42 3.800 -7.125 -2.748
159 2HD LYS 42 2HD LYS 42 4.673 -5.646 -3.190
160 1HE LYS 42 1HE LYS 42 3.045 -4.306 -1.855
161 2HE LYS 42 2HE LYS 42 2.120 -5.775 -1.520
162 1HZ LYS 42 3HZ LYS 42 4.888 -5.319 -0.560
163 2HZ LYS 42 1HZ LYS 42 3.522 -5.188 0.349
164 3HZ LYS 42 2HZ LYS 42 3.976 -6.637 -0.255
165 H CYS 43 H CYS 43 1.438 -2.070 -4.272
166 HA CYS 43 HA CYS 43 0.510 -1.930 -2.051
167 1HB CYS 43 1HB CYS 43 0.563 -0.107 -3.719
168 2HB CYS 43 2HB CYS 43 -1.126 -0.438 -4.107
169 HA PRO 44 HA PRO 44 -2.837 -5.156 -1.810
170 1HB PRO 44 1HB PRO 44 -1.649 -4.955 0.964
171 2HB PRO 44 2HB PRO 44 -2.340 -6.392 0.137
172 1HG PRO 44 1HG PRO 44 0.332 -6.030 0.170
173 2HG PRO 44 2HG PRO 44 -0.475 -6.511 -1.361
174 1HD PRO 44 1HD PRO 44 0.496 -3.789 -0.519
175 2HD PRO 44 2HD PRO 44 0.579 -4.575 -2.111
176 H GLU 45 H GLU 45 -2.365 -2.184 0.109
177 HA GLU 45 HA GLU 45 -4.884 -2.141 1.432
178 1HB GLU 45 1HB GLU 45 -3.074 -0.669 2.019
179 2HB GLU 45 2HB GLU 45 -3.054 0.053 0.418
180 1HG GLU 45 1HG GLU 45 -4.035 1.507 2.163
181 2HG GLU 45 2HG GLU 45 -5.073 1.212 0.772
182 H ARG 46 H ARG 46 -4.193 -1.576 -2.002
183 HA ARG 46 HA ARG 46 -6.816 -0.402 -2.622
184 1HB ARG 46 1HB ARG 46 -5.056 -2.030 -4.447
185 2HB ARG 46 2HB ARG 46 -6.282 -0.876 -4.928
186 1HG ARG 46 1HG ARG 46 -4.930 1.010 -4.256
187 2HG ARG 46 2HG ARG 46 -3.742 -0.023 -3.457
188 1HD ARG 46 1HD ARG 46 -4.317 0.047 -6.439
189 2HD ARG 46 2HD ARG 46 -2.877 0.689 -5.621
190 HE ARG 46 HE ARG 46 -2.994 -1.972 -4.833
191 1HH1 ARG 46 2HH2 ARG 46 -2.557 -0.423 -7.953
192 2HH1 ARG 46 1HH2 ARG 46 -1.987 -1.904 -8.684
193 1HH2 ARG 46 2HH1 ARG 46 -2.338 -3.757 -5.816
194 2HH2 ARG 46 1HH1 ARG 46 -1.569 -3.660 -7.398
195 H GLN 47 H GLN 47 -5.444 -3.687 -2.656
196 HA GLN 47 HA GLN 47 -7.831 -4.992 -3.651
197 1HB GLN 47 1HB GLN 47 -5.371 -6.121 -2.223
198 2HB GLN 47 2HB GLN 47 -6.674 -7.071 -2.913
199 1HG GLN 47 1HG GLN 47 -5.273 -7.213 -4.665
200 2HG GLN 47 2HG GLN 47 -6.076 -5.729 -5.144
201 1HE2 GLN 47 1HE2 GLN 47 -3.018 -7.158 -4.022
202 2HE2 GLN 47 2HE2 GLN 47 -2.080 -5.677 -4.232
203 H ALA 48 H ALA 48 -6.372 -4.837 -0.371
204 HA ALA 48 HA ALA 48 -8.554 -6.420 0.760
205 1HB ALA 48 3HB ALA 48 -5.982 -5.308 1.964
206 2HB ALA 48 1HB ALA 48 -7.038 -6.533 2.697
207 3HB ALA 48 2HB ALA 48 -6.166 -6.902 1.198
208 H GLY 49 H GLY 49 -9.519 -5.943 2.786
209 1HA GLY 49 2HA GLY 49 -9.801 -3.676 4.318
210 2HA GLY 49 1HA GLY 49 -11.129 -4.767 3.941
No H/Q in entry = 210
Start of MODEL 27
1 H1 ARG 23 1H ARG 23 -3.608 0.366 -1.716
2 H2 ARG 23 3H ARG 23 -3.362 -0.713 -2.927
3 H3 ARG 23 2H ARG 23 -2.947 0.858 -3.124
4 HA ARG 23 HA ARG 23 -4.949 0.506 -4.341
5 1HB ARG 23 1HB ARG 23 -5.893 -0.783 -1.771
6 2HB ARG 23 2HB ARG 23 -7.043 -0.087 -2.920
7 1HG ARG 23 1HG ARG 23 -6.170 -1.511 -4.714
8 2HG ARG 23 2HG ARG 23 -4.983 -2.233 -3.619
9 1HD ARG 23 1HD ARG 23 -7.992 -2.342 -3.127
10 2HD ARG 23 2HD ARG 23 -7.126 -3.552 -4.065
11 HE ARG 23 HE ARG 23 -5.767 -4.099 -2.090
12 1HH1 ARG 23 1HH2 ARG 23 -8.763 -2.398 -1.269
13 2HH1 ARG 23 2HH2 ARG 23 -8.747 -3.131 0.332
14 1HH2 ARG 23 2HH1 ARG 23 -5.977 -5.011 -0.190
15 2HH2 ARG 23 1HH1 ARG 23 -7.386 -4.675 0.835
16 H ALA 24 H ALA 24 -5.617 1.563 -0.950
17 HA ALA 24 HA ALA 24 -5.768 4.391 -1.833
18 1HB ALA 24 1HB ALA 24 -8.050 3.566 -2.073
19 2HB ALA 24 2HB ALA 24 -8.019 2.900 -0.427
20 3HB ALA 24 3HB ALA 24 -7.936 4.658 -0.680
21 HA PRO 25 HA PRO 25 -3.041 3.326 1.729
22 1HB PRO 25 1HB PRO 25 -2.082 6.128 1.112
23 2HB PRO 25 2HB PRO 25 -1.118 4.690 1.563
24 1HG PRO 25 1HG PRO 25 -1.315 5.444 -1.029
25 2HG PRO 25 2HG PRO 25 -1.452 3.711 -0.601
26 1HD PRO 25 1HD PRO 25 -3.646 5.661 -1.266
27 2HD PRO 25 2HD PRO 25 -3.465 3.942 -1.723
28 H ARG 26 H ARG 26 -5.113 6.142 1.632
29 HA ARG 26 HA ARG 26 -4.430 7.703 3.727
30 1HB ARG 26 1HB ARG 26 -6.205 8.141 2.086
31 2HB ARG 26 2HB ARG 26 -7.240 6.944 2.848
32 1HG ARG 26 1HG ARG 26 -7.987 9.147 3.397
33 2HG ARG 26 2HG ARG 26 -7.441 8.366 4.870
34 1HD ARG 26 1HD ARG 26 -5.678 10.278 3.275
35 2HD ARG 26 2HD ARG 26 -6.852 10.843 4.475
36 HE ARG 26 HE ARG 26 -5.247 8.851 5.710
37 1HH1 ARG 26 2HH2 ARG 26 -4.884 12.164 4.624
38 2HH1 ARG 26 1HH2 ARG 26 -3.631 12.495 5.790
39 1HH2 ARG 26 2HH1 ARG 26 -3.660 9.319 7.130
40 2HH2 ARG 26 1HH1 ARG 26 -2.954 10.910 7.182
41 H ARG 27 H ARG 27 -6.326 4.731 4.237
42 HA ARG 27 HA ARG 27 -6.737 5.332 7.083
43 1HB ARG 27 1HB ARG 27 -8.099 3.390 7.167
44 2HB ARG 27 2HB ARG 27 -8.440 4.231 5.660
45 1HG ARG 27 1HG ARG 27 -6.812 2.577 4.539
46 2HG ARG 27 2HG ARG 27 -6.846 1.660 6.050
47 1HD ARG 27 1HD ARG 27 -9.288 1.402 5.892
48 2HD ARG 27 2HD ARG 27 -9.338 2.395 4.434
49 HE ARG 27 HE ARG 27 -8.677 -0.425 4.616
50 1HH1 ARG 27 1HH2 ARG 27 -7.783 2.409 2.686
51 2HH1 ARG 27 2HH2 ARG 27 -7.120 1.365 1.448
52 1HH2 ARG 27 2HH1 ARG 27 -8.203 -1.567 2.614
53 2HH2 ARG 27 1HH1 ARG 27 -7.292 -0.609 1.447
54 H GLN 28 H GLN 28 -4.048 4.117 5.569
55 HA GLN 28 HA GLN 28 -3.072 2.764 8.057
56 1HB GLN 28 1HB GLN 28 -4.039 1.099 6.536
57 2HB GLN 28 2HB GLN 28 -3.066 1.699 5.204
58 1HG GLN 28 1HG GLN 28 -2.210 -0.411 6.009
59 2HG GLN 28 2HG GLN 28 -1.022 0.846 6.259
60 1HE2 GLN 28 2HE2 GLN 28 -0.755 1.674 8.544
61 2HE2 GLN 28 1HE2 GLN 28 -1.129 0.550 9.852
62 H GLY 29 H GLY 29 -2.343 4.947 5.460
63 1HA GLY 29 2HA GLY 29 0.338 5.596 6.246
64 2HA GLY 29 1HA GLY 29 -0.437 5.952 4.694
65 H CYS 30 H CYS 30 -0.988 3.112 4.154
66 HA CYS 30 HA CYS 30 -0.253 1.060 3.785
67 1HB CYS 30 1HB CYS 30 1.663 2.819 2.263
68 2HB CYS 30 2HB CYS 30 1.815 1.057 2.182
69 H TRP 31 H TRP 31 1.129 2.322 6.323
70 HA TRP 31 HA TRP 31 3.719 1.280 6.465
71 1HB TRP 31 1HB TRP 31 2.216 2.911 8.012
72 2HB TRP 31 2HB TRP 31 2.206 1.478 9.025
73 HD1 TRP 31 HD1 TRP 31 4.718 0.584 9.778
74 HE1 TRP 31 HE1 TRP 31 6.903 1.867 10.199
75 HE3 TRP 31 HE3 TRP 31 3.592 4.932 7.307
76 HZ2 TRP 31 HZ2 TRP 31 8.030 4.438 9.525
77 HZ3 TRP 31 HZ3 TRP 31 5.242 6.790 7.224
78 HH2 TRP 31 HH2 TRP 31 7.460 6.553 8.321
79 H LYS 32 H LYS 32 0.794 -0.504 6.876
80 HA LYS 32 HA LYS 32 2.360 -2.968 7.555
81 1HB LYS 32 1HB LYS 32 0.438 -2.058 9.089
82 2HB LYS 32 2HB LYS 32 -0.635 -2.762 7.865
83 1HG LYS 32 1HG LYS 32 0.354 -4.982 8.252
84 2HG LYS 32 2HG LYS 32 1.592 -4.273 9.289
85 1HD LYS 32 1HD LYS 32 0.057 -5.303 10.722
86 2HD LYS 32 2HD LYS 32 -0.210 -3.579 10.920
87 1HE LYS 32 1HE LYS 32 -1.895 -5.240 9.005
88 2HE LYS 32 2HE LYS 32 -2.214 -5.292 10.729
89 1HZ LYS 32 3HZ LYS 32 -2.240 -2.720 9.225
90 2HZ LYS 32 1HZ LYS 32 -3.549 -3.643 9.470
91 3HZ LYS 32 2HZ LYS 32 -2.753 -2.997 10.752
92 H CYS 33 H CYS 33 0.462 -1.485 5.092
93 HA CYS 33 HA CYS 33 -0.227 -3.727 3.434
94 1HB CYS 33 1HB CYS 33 -1.213 -1.512 3.161
95 2HB CYS 33 2HB CYS 33 0.391 -0.801 2.907
96 H GLY 34 H GLY 34 2.619 -1.592 3.630
97 1HA GLY 34 2HA GLY 34 4.167 -3.208 1.684
98 2HA GLY 34 1HA GLY 34 4.686 -3.291 3.365
99 H LYS 35 H LYS 35 3.859 -0.185 3.476
100 HA LYS 35 HA LYS 35 5.470 1.260 1.690
101 1HB LYS 35 1HB LYS 35 3.697 2.064 3.365
102 2HB LYS 35 2HB LYS 35 4.971 2.087 4.568
103 1HG LYS 35 1HG LYS 35 5.966 3.546 2.292
104 2HG LYS 35 2HG LYS 35 4.275 3.958 2.412
105 1HD LYS 35 1HD LYS 35 5.532 5.585 3.662
106 2HD LYS 35 2HD LYS 35 4.578 4.624 4.782
107 1HE LYS 35 1HE LYS 35 6.757 5.008 5.737
108 2HE LYS 35 2HE LYS 35 6.593 3.292 5.382
109 1HZ LYS 35 2HZ LYS 35 8.020 5.234 3.632
110 2HZ LYS 35 3HZ LYS 35 8.757 4.235 4.691
111 3HZ LYS 35 1HZ LYS 35 7.959 3.604 3.414
112 H THR 36 H THR 36 6.675 -0.765 4.139
113 HA THR 36 HA THR 36 9.277 0.347 4.631
114 HB THR 36 HB THR 36 9.860 -2.049 5.125
115 HG1 THR 36 HG1 THR 36 8.173 -3.538 5.039
116 1HG2 THR 36 3HG2 THR 36 8.843 -0.568 6.868
117 2HG2 THR 36 1HG2 THR 36 7.230 -1.139 6.391
118 3HG2 THR 36 2HG2 THR 36 8.413 -2.273 7.076
119 H GLY 37 H GLY 37 7.928 -1.149 1.745
120 1HA GLY 37 2HA GLY 37 10.283 -2.036 0.455
121 2HA GLY 37 1HA GLY 37 10.208 -0.295 0.209
122 H HIS 38 H HIS 38 6.992 -1.470 0.187
123 HA HIS 38 HA HIS 38 6.886 -2.561 -2.461
124 1HB HIS 38 1HB HIS 38 4.600 -2.762 -2.138
125 2HB HIS 38 2HB HIS 38 5.278 -2.977 -0.542
126 HD1 HIS 38 HD1 HIS 38 5.157 0.686 -0.984
127 HD2 HIS 38 HD2 HIS 38 2.392 -2.416 -0.342
128 HE1 HIS 38 HE1 HIS 38 3.024 1.790 -0.127
129 H VAL 39 H VAL 39 5.174 -1.646 -4.045
130 HA VAL 39 HA VAL 39 5.409 1.297 -4.472
131 HB VAL 39 HB VAL 39 5.823 -0.816 -6.636
132 1HG1 VAL 39 1HG1 VAL 39 6.008 2.231 -6.749
133 2HG1 VAL 39 2HG1 VAL 39 6.521 1.130 -8.041
134 3HG1 VAL 39 3HG1 VAL 39 4.827 1.208 -7.604
135 1HG2 VAL 39 2HG2 VAL 39 7.845 1.067 -5.342
136 2HG2 VAL 39 3HG2 VAL 39 7.838 -0.707 -5.236
137 3HG2 VAL 39 1HG2 VAL 39 8.147 0.072 -6.784
138 H MET 40 H MET 40 3.637 2.201 -5.601
139 HA MET 40 HA MET 40 1.069 1.228 -5.130
140 1HB MET 40 1HB MET 40 0.273 2.970 -6.585
141 2HB MET 40 2HB MET 40 1.594 3.558 -5.577
142 1HG MET 40 1HG MET 40 3.165 3.282 -7.490
143 2HG MET 40 2HG MET 40 1.830 2.744 -8.508
144 1HE MET 40 1HE MET 40 -0.015 4.246 -9.504
145 2HE MET 40 2HE MET 40 -0.598 4.693 -7.884
146 3HE MET 40 3HE MET 40 -0.269 5.954 -9.088
147 H ALA 41 H ALA 41 3.126 0.326 -7.795
148 HA ALA 41 HA ALA 41 1.142 -0.865 -9.509
149 1HB ALA 41 2HB ALA 41 3.373 -0.092 -10.256
150 2HB ALA 41 3HB ALA 41 4.147 -1.339 -9.248
151 3HB ALA 41 1HB ALA 41 3.125 -1.806 -10.624
152 H LYS 42 H LYS 42 1.956 -1.840 -6.412
153 HA LYS 42 HA LYS 42 0.875 -4.561 -6.942
154 1HB LYS 42 1HB LYS 42 3.427 -4.624 -6.826
155 2HB LYS 42 2HB LYS 42 3.312 -4.038 -5.178
156 1HG LYS 42 1HG LYS 42 3.641 -6.440 -5.204
157 2HG LYS 42 2HG LYS 42 2.078 -6.056 -4.504
158 1HD LYS 42 1HD LYS 42 1.985 -8.029 -5.924
159 2HD LYS 42 2HD LYS 42 0.924 -6.789 -6.557
160 1HE LYS 42 1HE LYS 42 3.754 -6.952 -7.629
161 2HE LYS 42 2HE LYS 42 2.642 -8.248 -8.055
162 1HZ LYS 42 2HZ LYS 42 1.125 -6.609 -8.996
163 2HZ LYS 42 3HZ LYS 42 2.140 -5.370 -8.656
164 3HZ LYS 42 1HZ LYS 42 2.577 -6.520 -9.720
165 H CYS 43 H CYS 43 1.792 -2.292 -4.387
166 HA CYS 43 HA CYS 43 0.891 -2.242 -2.168
167 1HB CYS 43 1HB CYS 43 0.830 -0.328 -3.722
168 2HB CYS 43 2HB CYS 43 -0.853 -0.715 -4.121
169 HA PRO 44 HA PRO 44 -2.386 -5.511 -2.686
170 1HB PRO 44 1HB PRO 44 -1.247 -6.506 -0.078
171 2HB PRO 44 2HB PRO 44 -1.686 -7.428 -1.547
172 1HG PRO 44 1HG PRO 44 0.911 -6.892 -0.971
173 2HG PRO 44 2HG PRO 44 0.311 -6.752 -2.656
174 1HD PRO 44 1HD PRO 44 0.719 -4.545 -0.621
175 2HD PRO 44 2HD PRO 44 1.227 -4.610 -2.330
176 H GLU 45 H GLU 45 -1.611 -3.889 0.359
177 HA GLU 45 HA GLU 45 -2.747 -3.017 2.056
178 1HB GLU 45 1HB GLU 45 -3.405 -1.851 -0.198
179 2HB GLU 45 2HB GLU 45 -5.014 -2.451 0.166
180 1HG GLU 45 1HG GLU 45 -5.000 -1.182 2.296
181 2HG GLU 45 2HG GLU 45 -3.324 -0.686 1.998
182 H ARG 46 H ARG 46 -3.764 -5.951 1.232
183 HA ARG 46 HA ARG 46 -6.353 -6.293 2.363
184 1HB ARG 46 1HB ARG 46 -4.890 -7.927 0.968
185 2HB ARG 46 2HB ARG 46 -4.089 -8.307 2.485
186 1HG ARG 46 1HG ARG 46 -5.628 -9.969 2.499
187 2HG ARG 46 2HG ARG 46 -6.625 -8.768 3.307
188 1HD ARG 46 1HD ARG 46 -6.638 -9.394 0.319
189 2HD ARG 46 2HD ARG 46 -7.774 -10.054 1.500
190 HE ARG 46 HE ARG 46 -7.981 -7.239 1.714
191 1HH1 ARG 46 2HH1 ARG 46 -8.713 -9.668 -0.721
192 2HH1 ARG 46 1HH1 ARG 46 -9.989 -8.697 -1.401
193 1HH2 ARG 46 2HH2 ARG 46 -9.507 -6.102 0.827
194 2HH2 ARG 46 1HH2 ARG 46 -10.462 -6.694 -0.534
195 H GLN 47 H GLN 47 -3.249 -6.042 3.864
196 HA GLN 47 HA GLN 47 -3.777 -6.667 6.561
197 1HB GLN 47 1HB GLN 47 -1.895 -4.565 5.384
198 2HB GLN 47 2HB GLN 47 -1.823 -5.232 7.007
199 1HG GLN 47 1HG GLN 47 -0.295 -6.619 6.120
200 2HG GLN 47 2HG GLN 47 -1.691 -7.574 5.663
201 1HE2 GLN 47 2HE2 GLN 47 1.122 -6.093 4.520
202 2HE2 GLN 47 1HE2 GLN 47 0.755 -6.100 2.812
203 H ALA 48 H ALA 48 -5.141 -4.038 4.796
204 HA ALA 48 HA ALA 48 -6.284 -2.929 7.311
205 1HB ALA 48 1HB ALA 48 -4.470 -1.454 6.486
206 2HB ALA 48 3HB ALA 48 -6.054 -0.672 6.370
207 3HB ALA 48 2HB ALA 48 -5.286 -1.333 4.909
208 H GLY 49 H GLY 49 -7.146 -4.821 4.955
209 1HA GLY 49 2HA GLY 49 -9.839 -3.602 4.455
210 2HA GLY 49 1HA GLY 49 -9.441 -5.321 4.431
No H/Q in entry = 210
Start of MODEL 28
1 H1 ARG 23 2H ARG 23 -7.608 1.259 2.241
2 H2 ARG 23 1H ARG 23 -9.096 0.627 1.856
3 H3 ARG 23 3H ARG 23 -7.751 0.187 1.026
4 HA ARG 23 HA ARG 23 -8.931 1.571 -0.347
5 1HB ARG 23 1HB ARG 23 -10.219 2.677 1.588
6 2HB ARG 23 2HB ARG 23 -8.851 3.773 1.740
7 1HG ARG 23 1HG ARG 23 -10.289 4.977 0.368
8 2HG ARG 23 2HG ARG 23 -9.230 4.248 -0.826
9 1HD ARG 23 1HD ARG 23 -12.065 3.460 -0.067
10 2HD ARG 23 2HD ARG 23 -11.509 4.077 -1.619
11 HE ARG 23 HE ARG 23 -11.264 1.320 -0.544
12 1HH1 ARG 23 2HH2 ARG 23 -10.336 3.341 -3.280
13 2HH1 ARG 23 1HH2 ARG 23 -9.727 1.950 -4.141
14 1HH2 ARG 23 2HH1 ARG 23 -10.465 -0.227 -1.563
15 2HH2 ARG 23 1HH1 ARG 23 -9.721 -0.068 -3.159
16 H ALA 24 H ALA 24 -6.440 3.122 1.788
17 HA ALA 24 HA ALA 24 -4.589 3.531 -0.403
18 1HB ALA 24 3HB ALA 24 -6.337 5.836 0.631
19 2HB ALA 24 2HB ALA 24 -6.296 5.213 -1.029
20 3HB ALA 24 1HB ALA 24 -4.898 6.067 -0.376
21 HA PRO 25 HA PRO 25 -1.833 4.367 3.083
22 1HB PRO 25 1HB PRO 25 -0.381 6.606 2.197
23 2HB PRO 25 2HB PRO 25 -0.012 4.898 1.852
24 1HG PRO 25 1HG PRO 25 -1.519 6.878 0.144
25 2HG PRO 25 2HG PRO 25 -0.297 5.671 -0.365
26 1HD PRO 25 1HD PRO 25 -2.925 5.214 -0.719
27 2HD PRO 25 2HD PRO 25 -1.855 3.894 -0.187
28 H ARG 26 H ARG 26 -3.866 6.941 1.841
29 HA ARG 26 HA ARG 26 -3.885 8.905 3.787
30 1HB ARG 26 1HB ARG 26 -5.190 8.876 1.692
31 2HB ARG 26 2HB ARG 26 -6.221 7.606 2.331
32 1HG ARG 26 1HG ARG 26 -7.388 9.684 2.344
33 2HG ARG 26 2HG ARG 26 -7.162 9.170 4.004
34 1HD ARG 26 1HD ARG 26 -5.329 11.191 2.639
35 2HD ARG 26 2HD ARG 26 -6.848 11.654 3.426
36 HE ARG 26 HE ARG 26 -5.369 10.109 5.284
37 1HH1 ARG 26 1HH1 ARG 26 -5.190 13.307 3.856
38 2HH1 ARG 26 2HH1 ARG 26 -4.336 13.964 5.227
39 1HH2 ARG 26 1HH2 ARG 26 -4.267 10.983 6.959
40 2HH2 ARG 26 2HH2 ARG 26 -3.825 12.668 6.948
41 H ARG 27 H ARG 27 -5.175 5.632 4.248
42 HA ARG 27 HA ARG 27 -6.072 6.423 7.010
43 1HB ARG 27 1HB ARG 27 -7.850 4.912 6.885
44 2HB ARG 27 2HB ARG 27 -7.832 5.762 5.356
45 1HG ARG 27 1HG ARG 27 -8.056 3.720 4.431
46 2HG ARG 27 2HG ARG 27 -6.322 3.548 4.694
47 1HD ARG 27 1HD ARG 27 -6.828 2.466 6.918
48 2HD ARG 27 2HD ARG 27 -8.547 2.601 6.568
49 HE ARG 27 HE ARG 27 -6.543 0.854 5.184
50 1HH1 ARG 27 2HH1 ARG 27 -9.980 1.694 5.322
51 2HH1 ARG 27 1HH1 ARG 27 -10.319 0.385 4.195
52 1HH2 ARG 27 2HH2 ARG 27 -7.147 -0.818 4.129
53 2HH2 ARG 27 1HH2 ARG 27 -8.845 -1.200 3.826
54 H GLN 28 H GLN 28 -3.524 4.900 5.670
55 HA GLN 28 HA GLN 28 -3.174 2.985 7.946
56 1HB GLN 28 1HB GLN 28 -4.287 1.902 6.003
57 2HB GLN 28 2HB GLN 28 -2.960 2.392 4.961
58 1HG GLN 28 1HG GLN 28 -2.839 0.023 5.539
59 2HG GLN 28 2HG GLN 28 -1.427 0.866 6.130
60 1HE2 GLN 28 1HE2 GLN 28 -1.273 1.252 8.503
61 2HE2 GLN 28 2HE2 GLN 28 -2.198 0.200 9.577
62 H GLY 29 H GLY 29 -1.661 5.367 5.964
63 1HA GLY 29 2HA GLY 29 0.979 5.182 6.974
64 2HA GLY 29 1HA GLY 29 0.482 5.942 5.455
65 H CYS 30 H CYS 30 -0.599 3.299 4.489
66 HA CYS 30 HA CYS 30 -0.176 1.188 3.921
67 1HB CYS 30 1HB CYS 30 1.835 2.905 2.507
68 2HB CYS 30 2HB CYS 30 1.913 1.155 2.273
69 H TRP 31 H TRP 31 1.110 1.795 6.602
70 HA TRP 31 HA TRP 31 3.619 0.484 6.720
71 1HB TRP 31 1HB TRP 31 2.042 1.915 8.463
72 2HB TRP 31 2HB TRP 31 1.942 0.314 9.166
73 HD1 TRP 31 HD1 TRP 31 4.655 -0.845 9.267
74 HE1 TRP 31 HE1 TRP 31 6.716 0.267 10.319
75 HE3 TRP 31 HE3 TRP 31 3.106 4.044 9.128
76 HZ2 TRP 31 HZ2 TRP 31 7.586 2.932 11.008
77 HZ3 TRP 31 HZ3 TRP 31 4.568 5.848 10.015
78 HH2 TRP 31 HH2 TRP 31 6.805 5.306 10.957
79 H LYS 32 H LYS 32 0.388 -0.848 7.227
80 HA LYS 32 HA LYS 32 1.078 -3.651 7.565
81 1HB LYS 32 1HB LYS 32 -1.061 -2.624 8.250
82 2HB LYS 32 2HB LYS 32 -1.389 -2.157 6.587
83 1HG LYS 32 1HG LYS 32 -1.474 -4.673 6.017
84 2HG LYS 32 2HG LYS 32 -1.368 -4.964 7.760
85 1HD LYS 32 1HD LYS 32 -3.705 -5.002 7.204
86 2HD LYS 32 2HD LYS 32 -3.411 -3.463 8.023
87 1HE LYS 32 1HE LYS 32 -2.993 -2.637 5.479
88 2HE LYS 32 2HE LYS 32 -3.994 -4.034 5.101
89 1HZ LYS 32 1HZ LYS 32 -4.753 -1.844 6.964
90 2HZ LYS 32 2HZ LYS 32 -5.231 -1.916 5.409
91 3HZ LYS 32 3HZ LYS 32 -5.746 -3.070 6.480
92 H CYS 33 H CYS 33 0.277 -1.631 4.806
93 HA CYS 33 HA CYS 33 -0.162 -3.598 2.823
94 1HB CYS 33 1HB CYS 33 -1.018 -1.261 2.982
95 2HB CYS 33 2HB CYS 33 0.619 -0.658 2.685
96 H GLY 34 H GLY 34 2.723 -1.685 3.615
97 1HA GLY 34 2HA GLY 34 4.412 -3.202 1.659
98 2HA GLY 34 1HA GLY 34 4.787 -3.249 3.379
99 H LYS 35 H LYS 35 3.968 -0.224 3.504
100 HA LYS 35 HA LYS 35 5.458 1.403 1.833
101 1HB LYS 35 1HB LYS 35 3.788 2.124 3.417
102 2HB LYS 35 2HB LYS 35 4.816 1.753 4.784
103 1HG LYS 35 1HG LYS 35 5.822 3.710 2.706
104 2HG LYS 35 2HG LYS 35 4.485 4.227 3.710
105 1HD LYS 35 1HD LYS 35 7.143 3.250 4.837
106 2HD LYS 35 2HD LYS 35 6.696 4.940 4.578
107 1HE LYS 35 1HE LYS 35 4.753 4.665 6.109
108 2HE LYS 35 2HE LYS 35 5.214 2.986 6.399
109 1HZ LYS 35 2HZ LYS 35 7.332 3.797 7.315
110 2HZ LYS 35 3HZ LYS 35 6.885 5.351 7.067
111 3HZ LYS 35 1HZ LYS 35 6.071 4.425 8.141
112 H THR 36 H THR 36 6.862 -0.636 4.242
113 HA THR 36 HA THR 36 9.444 0.523 4.583
114 HB THR 36 HB THR 36 10.140 -1.841 5.043
115 HG1 THR 36 HG1 THR 36 8.524 -3.406 4.993
116 1HG2 THR 36 3HG2 THR 36 9.105 -0.419 6.826
117 2HG2 THR 36 1HG2 THR 36 7.508 -1.066 6.393
118 3HG2 THR 36 2HG2 THR 36 8.765 -2.145 7.032
119 H GLY 37 H GLY 37 8.079 -1.042 1.735
120 1HA GLY 37 2HA GLY 37 10.440 -1.783 0.364
121 2HA GLY 37 1HA GLY 37 10.251 -0.049 0.132
122 H HIS 38 H HIS 38 7.086 -1.161 0.183
123 HA HIS 38 HA HIS 38 6.911 -2.458 -2.358
124 1HB HIS 38 1HB HIS 38 4.627 -2.570 -2.005
125 2HB HIS 38 2HB HIS 38 5.324 -2.693 -0.413
126 HD1 HIS 38 HD1 HIS 38 5.359 0.912 -0.875
127 HD2 HIS 38 HD2 HIS 38 2.370 -2.017 -0.464
128 HE1 HIS 38 HE1 HIS 38 3.243 2.139 -0.160
129 H VAL 39 H VAL 39 5.055 -1.627 -3.871
130 HA VAL 39 HA VAL 39 5.399 1.186 -4.733
131 HB VAL 39 HB VAL 39 7.100 -0.139 -5.914
132 1HG1 VAL 39 1HG1 VAL 39 4.799 -1.806 -7.011
133 2HG1 VAL 39 2HG1 VAL 39 6.479 -1.855 -7.579
134 3HG1 VAL 39 3HG1 VAL 39 6.092 -2.365 -5.934
135 1HG2 VAL 39 1HG2 VAL 39 6.018 1.772 -7.079
136 2HG2 VAL 39 2HG2 VAL 39 6.653 0.528 -8.162
137 3HG2 VAL 39 3HG2 VAL 39 4.912 0.624 -7.880
138 H MET 40 H MET 40 3.642 1.876 -6.168
139 HA MET 40 HA MET 40 1.067 1.062 -5.356
140 1HB MET 40 1HB MET 40 1.948 2.594 -7.825
141 2HB MET 40 2HB MET 40 0.265 2.412 -7.304
142 1HG MET 40 1HG MET 40 0.804 3.453 -5.130
143 2HG MET 40 2HG MET 40 2.476 3.687 -5.649
144 1HE MET 40 1HE MET 40 2.308 6.230 -4.963
145 2HE MET 40 2HE MET 40 1.040 7.331 -5.546
146 3HE MET 40 3HE MET 40 0.617 5.985 -4.464
147 H ALA 41 H ALA 41 2.990 -0.238 -8.012
148 HA ALA 41 HA ALA 41 0.948 -1.735 -9.323
149 1HB ALA 41 3HB ALA 41 3.162 -1.236 -10.293
150 2HB ALA 41 1HB ALA 41 3.935 -2.305 -9.100
151 3HB ALA 41 2HB ALA 41 2.816 -2.974 -10.302
152 H LYS 42 H LYS 42 2.498 -2.312 -6.240
153 HA LYS 42 HA LYS 42 1.259 -5.039 -6.017
154 1HB LYS 42 1HB LYS 42 3.669 -4.799 -5.401
155 2HB LYS 42 2HB LYS 42 3.240 -3.592 -4.200
156 1HG LYS 42 1HG LYS 42 1.589 -5.844 -3.606
157 2HG LYS 42 2HG LYS 42 3.146 -6.523 -4.056
158 1HD LYS 42 1HD LYS 42 4.278 -5.134 -2.354
159 2HD LYS 42 2HD LYS 42 2.734 -4.355 -1.941
160 1HE LYS 42 1HE LYS 42 1.808 -6.616 -1.335
161 2HE LYS 42 2HE LYS 42 3.397 -7.320 -1.650
162 1HZ LYS 42 1HZ LYS 42 4.293 -5.892 0.129
163 2HZ LYS 42 2HZ LYS 42 2.798 -5.287 0.456
164 3HZ LYS 42 3HZ LYS 42 3.122 -6.866 0.700
165 H CYS 43 H CYS 43 1.621 -2.057 -4.157
166 HA CYS 43 HA CYS 43 0.574 -1.897 -1.980
167 1HB CYS 43 1HB CYS 43 0.915 -0.021 -3.530
168 2HB CYS 43 2HB CYS 43 -0.752 -0.208 -4.109
169 HA PRO 44 HA PRO 44 -3.126 -4.733 -2.098
170 1HB PRO 44 1HB PRO 44 -2.147 -4.765 0.769
171 2HB PRO 44 2HB PRO 44 -2.933 -6.082 -0.163
172 1HG PRO 44 1HG PRO 44 -0.244 -6.041 0.090
173 2HG PRO 44 2HG PRO 44 -0.975 -6.385 -1.513
174 1HD PRO 44 1HD PRO 44 0.248 -3.827 -0.511
175 2HD PRO 44 2HD PRO 44 0.355 -4.575 -2.115
176 H GLU 45 H GLU 45 -2.435 -1.963 0.090
177 HA GLU 45 HA GLU 45 -4.991 -1.645 1.237
178 1HB GLU 45 1HB GLU 45 -2.663 0.119 0.714
179 2HB GLU 45 2HB GLU 45 -4.181 0.977 0.788
180 1HG GLU 45 1HG GLU 45 -3.207 -0.941 2.941
181 2HG GLU 45 2HG GLU 45 -3.011 0.815 2.989
182 H ARG 46 H ARG 46 -4.063 -0.921 -2.102
183 HA ARG 46 HA ARG 46 -6.331 0.685 -2.798
184 1HB ARG 46 1HB ARG 46 -5.582 0.493 -4.994
185 2HB ARG 46 2HB ARG 46 -4.105 0.268 -4.056
186 1HG ARG 46 1HG ARG 46 -4.689 -2.300 -4.243
187 2HG ARG 46 2HG ARG 46 -5.782 -1.769 -5.529
188 1HD ARG 46 1HD ARG 46 -3.894 -0.835 -6.788
189 2HD ARG 46 2HD ARG 46 -2.782 -1.331 -5.488
190 HE ARG 46 HE ARG 46 -4.453 -3.526 -6.397
191 1HH1 ARG 46 1HH2 ARG 46 -1.420 -1.928 -7.252
192 2HH1 ARG 46 2HH2 ARG 46 -0.830 -3.410 -7.980
193 1HH2 ARG 46 1HH1 ARG 46 -3.646 -5.236 -7.300
194 2HH2 ARG 46 2HH1 ARG 46 -2.060 -5.228 -8.045
195 H GLN 47 H GLN 47 -6.221 -2.654 -2.080
196 HA GLN 47 HA GLN 47 -8.963 -3.150 -3.202
197 1HB GLN 47 1HB GLN 47 -6.434 -4.826 -3.237
198 2HB GLN 47 2HB GLN 47 -8.021 -5.590 -3.338
199 1HG GLN 47 1HG GLN 47 -8.578 -4.486 -5.377
200 2HG GLN 47 2HG GLN 47 -7.219 -3.381 -5.253
201 1HE2 GLN 47 2HE2 GLN 47 -8.032 -6.853 -5.779
202 2HE2 GLN 47 1HE2 GLN 47 -6.533 -7.196 -6.630
203 H ALA 48 H ALA 48 -6.885 -3.441 -0.386
204 HA ALA 48 HA ALA 48 -8.487 -5.301 1.097
205 1HB ALA 48 2HB ALA 48 -6.414 -3.267 2.025
206 2HB ALA 48 3HB ALA 48 -6.979 -4.686 2.930
207 3HB ALA 48 1HB ALA 48 -6.063 -4.907 1.430
208 H GLY 49 H GLY 49 -10.394 -3.589 0.179
209 1HA GLY 49 2HA GLY 49 -11.712 -2.420 2.509
210 2HA GLY 49 1HA GLY 49 -12.250 -2.331 0.825
No H/Q in entry = 210
Start of MODEL 29
1 H1 ARG 23 2H ARG 23 -8.682 -2.848 2.104
2 H2 ARG 23 1H ARG 23 -8.788 -4.019 0.992
3 H3 ARG 23 3H ARG 23 -7.414 -3.131 1.094
4 HA ARG 23 HA ARG 23 -8.577 -2.429 -0.806
5 1HB ARG 23 1HB ARG 23 -10.854 -1.638 -0.797
6 2HB ARG 23 2HB ARG 23 -10.734 -3.296 -0.252
7 1HG ARG 23 1HG ARG 23 -10.845 -2.269 2.189
8 2HG ARG 23 2HG ARG 23 -11.387 -0.804 1.361
9 1HD ARG 23 1HD ARG 23 -13.330 -2.020 2.052
10 2HD ARG 23 2HD ARG 23 -13.218 -2.181 0.289
11 HE ARG 23 HE ARG 23 -11.848 -4.381 1.530
12 1HH1 ARG 23 2HH2 ARG 23 -15.161 -3.320 1.070
13 2HH1 ARG 23 1HH2 ARG 23 -15.778 -4.947 1.174
14 1HH2 ARG 23 2HH1 ARG 23 -12.666 -6.377 1.651
15 2HH2 ARG 23 1HH1 ARG 23 -14.392 -6.647 1.500
16 H ALA 24 H ALA 24 -8.617 -0.730 2.378
17 HA ALA 24 HA ALA 24 -7.937 1.793 0.921
18 1HB ALA 24 1HB ALA 24 -9.864 1.386 3.236
19 2HB ALA 24 3HB ALA 24 -10.294 1.724 1.545
20 3HB ALA 24 2HB ALA 24 -9.423 2.939 2.496
21 HA PRO 25 HA PRO 25 -4.728 1.251 4.236
22 1HB PRO 25 1HB PRO 25 -2.468 1.405 2.780
23 2HB PRO 25 2HB PRO 25 -3.447 -0.084 2.857
24 1HG PRO 25 1HG PRO 25 -3.486 2.045 0.694
25 2HG PRO 25 2HG PRO 25 -3.350 0.266 0.503
26 1HD PRO 25 1HD PRO 25 -5.737 1.627 0.298
27 2HD PRO 25 2HD PRO 25 -5.632 -0.042 0.926
28 H ARG 26 H ARG 26 -5.806 3.781 2.276
29 HA ARG 26 HA ARG 26 -4.050 5.937 2.798
30 1HB ARG 26 1HB ARG 26 -6.034 6.002 1.319
31 2HB ARG 26 2HB ARG 26 -7.103 5.917 2.725
32 1HG ARG 26 1HG ARG 26 -6.236 8.086 3.540
33 2HG ARG 26 2HG ARG 26 -5.111 8.176 2.178
34 1HD ARG 26 1HD ARG 26 -8.148 8.043 1.923
35 2HD ARG 26 2HD ARG 26 -7.214 9.548 1.960
36 HE ARG 26 HE ARG 26 -6.081 7.967 -0.077
37 1HH1 ARG 26 2HH1 ARG 26 -9.148 9.568 0.471
38 2HH1 ARG 26 1HH1 ARG 26 -9.436 9.802 -1.232
39 1HH2 ARG 26 2HH2 ARG 26 -6.512 8.292 -2.235
40 2HH2 ARG 26 1HH2 ARG 26 -7.976 9.097 -2.717
41 H ARG 27 H ARG 27 -6.410 4.456 4.957
42 HA ARG 27 HA ARG 27 -6.195 6.224 7.200
43 1HB ARG 27 1HB ARG 27 -7.401 4.559 8.380
44 2HB ARG 27 2HB ARG 27 -7.959 4.442 6.711
45 1HG ARG 27 1HG ARG 27 -6.193 2.552 6.440
46 2HG ARG 27 2HG ARG 27 -6.043 2.605 8.201
47 1HD ARG 27 1HD ARG 27 -8.583 2.255 8.287
48 2HD ARG 27 2HD ARG 27 -8.494 1.852 6.567
49 HE ARG 27 HE ARG 27 -7.732 0.199 8.817
50 1HH1 ARG 27 1HH1 ARG 27 -6.849 0.659 5.414
51 2HH1 ARG 27 2HH1 ARG 27 -5.907 -0.851 5.465
52 1HH2 ARG 27 1HH2 ARG 27 -6.571 -1.743 8.593
53 2HH2 ARG 27 2HH2 ARG 27 -5.807 -2.052 7.027
54 H GLN 28 H GLN 28 -3.821 4.192 5.977
55 HA GLN 28 HA GLN 28 -2.430 3.699 8.580
56 1HB GLN 28 1HB GLN 28 -3.723 1.830 7.389
57 2HB GLN 28 2HB GLN 28 -2.595 2.011 6.055
58 1HG GLN 28 1HG GLN 28 -0.742 1.429 7.807
59 2HG GLN 28 2HG GLN 28 -2.088 0.897 8.819
60 1HE2 GLN 28 1HE2 GLN 28 -3.386 -0.955 8.005
61 2HE2 GLN 28 2HE2 GLN 28 -2.808 -1.924 6.653
62 H GLY 29 H GLY 29 -2.116 5.216 5.497
63 1HA GLY 29 2HA GLY 29 0.646 5.915 5.665
64 2HA GLY 29 1HA GLY 29 -0.362 5.945 4.210
65 H CYS 30 H CYS 30 -0.988 3.143 4.152
66 HA CYS 30 HA CYS 30 -0.310 1.069 3.671
67 1HB CYS 30 1HB CYS 30 1.710 2.764 2.181
68 2HB CYS 30 2HB CYS 30 1.744 1.011 2.061
69 H TRP 31 H TRP 31 1.128 2.282 6.236
70 HA TRP 31 HA TRP 31 3.706 1.189 6.281
71 1HB TRP 31 1HB TRP 31 2.419 2.877 7.856
72 2HB TRP 31 2HB TRP 31 2.196 1.451 8.858
73 HD1 TRP 31 HD1 TRP 31 4.544 0.288 9.739
74 HE1 TRP 31 HE1 TRP 31 6.854 1.297 10.226
75 HE3 TRP 31 HE3 TRP 31 4.059 4.700 7.174
76 HZ2 TRP 31 HZ2 TRP 31 8.315 3.698 9.571
77 HZ3 TRP 31 HZ3 TRP 31 5.923 6.347 7.153
78 HH2 TRP 31 HH2 TRP 31 8.054 5.852 8.330
79 H LYS 32 H LYS 32 0.793 -0.611 6.646
80 HA LYS 32 HA LYS 32 2.347 -3.083 7.362
81 1HB LYS 32 1HB LYS 32 0.367 -2.256 8.884
82 2HB LYS 32 2HB LYS 32 -0.652 -2.811 7.561
83 1HG LYS 32 1HG LYS 32 1.039 -5.018 8.006
84 2HG LYS 32 2HG LYS 32 0.870 -4.320 9.600
85 1HD LYS 32 1HD LYS 32 -0.983 -5.586 9.737
86 2HD LYS 32 2HD LYS 32 -1.772 -4.309 8.831
87 1HE LYS 32 1HE LYS 32 -0.582 -6.910 7.757
88 2HE LYS 32 2HE LYS 32 -2.294 -6.518 7.914
89 1HZ LYS 32 3HZ LYS 32 -1.948 -4.742 6.225
90 2HZ LYS 32 1HZ LYS 32 -0.382 -5.244 6.035
91 3HZ LYS 32 2HZ LYS 32 -1.616 -6.233 5.648
92 H CYS 33 H CYS 33 0.304 -1.532 4.972
93 HA CYS 33 HA CYS 33 -0.227 -3.700 3.209
94 1HB CYS 33 1HB CYS 33 -1.164 -1.407 3.067
95 2HB CYS 33 2HB CYS 33 0.448 -0.770 2.732
96 H GLY 34 H GLY 34 2.590 -1.550 3.506
97 1HA GLY 34 2HA GLY 34 4.279 -3.260 1.754
98 2HA GLY 34 1HA GLY 34 4.648 -3.235 3.476
99 H LYS 35 H LYS 35 3.862 -0.149 3.399
100 HA LYS 35 HA LYS 35 5.477 1.212 1.578
101 1HB LYS 35 1HB LYS 35 3.688 2.068 3.252
102 2HB LYS 35 2HB LYS 35 5.008 2.242 4.391
103 1HG LYS 35 1HG LYS 35 5.880 3.504 1.957
104 2HG LYS 35 2HG LYS 35 4.182 3.878 2.091
105 1HD LYS 35 1HD LYS 35 5.415 5.658 3.125
106 2HD LYS 35 2HD LYS 35 4.545 4.787 4.378
107 1HE LYS 35 1HE LYS 35 6.743 5.352 5.184
108 2HE LYS 35 2HE LYS 35 6.627 3.601 5.033
109 1HZ LYS 35 3HZ LYS 35 7.911 5.370 3.010
110 2HZ LYS 35 1HZ LYS 35 8.727 4.535 4.149
111 3HZ LYS 35 2HZ LYS 35 7.909 3.723 2.997
112 H THR 36 H THR 36 6.710 -0.619 4.176
113 HA THR 36 HA THR 36 9.276 0.595 4.608
114 HB THR 36 HB THR 36 9.928 -1.733 5.280
115 HG1 THR 36 HG1 THR 36 8.300 -3.289 5.273
116 1HG2 THR 36 1HG2 THR 36 8.822 -0.172 6.899
117 2HG2 THR 36 2HG2 THR 36 7.242 -0.843 6.439
118 3HG2 THR 36 3HG2 THR 36 8.458 -1.876 7.220
119 H GLY 37 H GLY 37 8.004 -1.147 1.832
120 1HA GLY 37 2HA GLY 37 10.356 -2.062 0.593
121 2HA GLY 37 1HA GLY 37 10.290 -0.333 0.262
122 H HIS 38 H HIS 38 7.065 -1.454 0.284
123 HA HIS 38 HA HIS 38 6.944 -2.693 -2.291
124 1HB HIS 38 1HB HIS 38 4.669 -2.837 -1.982
125 2HB HIS 38 2HB HIS 38 5.305 -2.934 -0.363
126 HD1 HIS 38 HD1 HIS 38 5.187 0.701 -1.107
127 HD2 HIS 38 HD2 HIS 38 2.432 -2.358 -0.282
128 HE1 HIS 38 HE1 HIS 38 3.012 1.852 -0.440
129 H VAL 39 H VAL 39 5.282 -1.841 -3.948
130 HA VAL 39 HA VAL 39 5.702 1.055 -4.582
131 HB VAL 39 HB VAL 39 5.708 -1.226 -6.603
132 1HG1 VAL 39 3HG1 VAL 39 6.257 1.762 -6.924
133 2HG1 VAL 39 1HG1 VAL 39 6.480 0.535 -8.186
134 3HG1 VAL 39 2HG1 VAL 39 4.865 0.873 -7.587
135 1HG2 VAL 39 3HG2 VAL 39 8.031 0.468 -5.579
136 2HG2 VAL 39 1HG2 VAL 39 7.824 -1.285 -5.357
137 3HG2 VAL 39 2HG2 VAL 39 8.101 -0.637 -6.971
138 H MET 40 H MET 40 3.929 2.098 -5.438
139 HA MET 40 HA MET 40 1.364 1.319 -4.687
140 1HB MET 40 1HB MET 40 0.561 3.219 -5.952
141 2HB MET 40 2HB MET 40 2.054 3.619 -5.107
142 1HG MET 40 1HG MET 40 3.317 3.285 -7.259
143 2HG MET 40 2HG MET 40 1.788 2.939 -8.066
144 1HE MET 40 2HE MET 40 4.176 5.608 -6.575
145 2HE MET 40 3HE MET 40 3.196 7.088 -6.562
146 3HE MET 40 1HE MET 40 2.846 5.790 -5.405
147 H ALA 41 H ALA 41 2.999 0.341 -7.593
148 HA ALA 41 HA ALA 41 0.706 -0.516 -9.118
149 1HB ALA 41 3HB ALA 41 2.900 0.068 -10.100
150 2HB ALA 41 1HB ALA 41 3.653 -1.305 -9.251
151 3HB ALA 41 2HB ALA 41 2.433 -1.591 -10.511
152 H LYS 42 H LYS 42 2.164 -1.898 -6.311
153 HA LYS 42 HA LYS 42 0.776 -4.502 -6.834
154 1HB LYS 42 1HB LYS 42 3.273 -4.668 -7.071
155 2HB LYS 42 2HB LYS 42 3.435 -4.127 -5.400
156 1HG LYS 42 1HG LYS 42 3.665 -6.518 -5.443
157 2HG LYS 42 2HG LYS 42 2.157 -6.145 -4.644
158 1HD LYS 42 1HD LYS 42 1.388 -6.485 -7.359
159 2HD LYS 42 2HD LYS 42 2.708 -7.617 -7.153
160 1HE LYS 42 1HE LYS 42 0.760 -8.845 -6.648
161 2HE LYS 42 2HE LYS 42 1.515 -8.510 -5.087
162 1HZ LYS 42 1HZ LYS 42 -0.092 -6.626 -4.855
163 2HZ LYS 42 2HZ LYS 42 -0.793 -7.012 -6.256
164 3HZ LYS 42 3HZ LYS 42 -0.869 -8.067 -5.007
165 H CYS 43 H CYS 43 1.665 -2.148 -4.388
166 HA CYS 43 HA CYS 43 0.877 -2.079 -2.123
167 1HB CYS 43 1HB CYS 43 0.235 -0.464 -4.017
168 2HB CYS 43 2HB CYS 43 -1.376 -1.185 -3.921
169 HA PRO 44 HA PRO 44 -1.486 -6.085 -2.179
170 1HB PRO 44 1HB PRO 44 -0.362 -6.144 0.633
171 2HB PRO 44 2HB PRO 44 -0.587 -7.501 -0.518
172 1HG PRO 44 1HG PRO 44 1.849 -6.369 -0.247
173 2HG PRO 44 2HG PRO 44 1.221 -6.721 -1.892
174 1HD PRO 44 1HD PRO 44 1.241 -4.092 -0.409
175 2HD PRO 44 2HD PRO 44 1.669 -4.425 -2.111
176 H GLU 45 H GLU 45 -1.679 -3.762 0.587
177 HA GLU 45 HA GLU 45 -4.340 -4.802 1.308
178 1HB GLU 45 1HB GLU 45 -2.385 -3.890 2.867
179 2HB GLU 45 2HB GLU 45 -3.196 -2.345 2.576
180 1HG GLU 45 1HG GLU 45 -5.359 -3.516 3.320
181 2HG GLU 45 2HG GLU 45 -4.365 -4.902 3.760
182 H ARG 46 H ARG 46 -3.332 -2.662 -1.073
183 HA ARG 46 HA ARG 46 -6.001 -1.297 -1.117
184 1HB ARG 46 1HB ARG 46 -3.806 -0.066 -1.731
185 2HB ARG 46 2HB ARG 46 -3.833 -1.015 -3.223
186 1HG ARG 46 1HG ARG 46 -6.169 -0.109 -3.660
187 2HG ARG 46 2HG ARG 46 -6.024 0.840 -2.178
188 1HD ARG 46 1HD ARG 46 -5.521 2.347 -3.891
189 2HD ARG 46 2HD ARG 46 -3.958 1.938 -3.197
190 HE ARG 46 HE ARG 46 -5.101 0.940 -5.796
191 1HH1 ARG 46 2HH2 ARG 46 -2.166 1.305 -3.859
192 2HH1 ARG 46 1HH2 ARG 46 -1.178 1.037 -5.273
193 1HH2 ARG 46 2HH1 ARG 46 -3.663 0.576 -7.482
194 2HH2 ARG 46 1HH1 ARG 46 -1.942 0.629 -7.144
195 H GLN 47 H GLN 47 -3.972 -3.559 -2.981
196 HA GLN 47 HA GLN 47 -6.027 -4.162 -4.925
197 1HB GLN 47 1HB GLN 47 -3.374 -5.513 -4.280
198 2HB GLN 47 2HB GLN 47 -4.416 -5.931 -5.653
199 1HG GLN 47 1HG GLN 47 -4.293 -3.543 -6.429
200 2HG GLN 47 2HG GLN 47 -3.125 -3.212 -5.152
201 1HE2 GLN 47 1HE2 GLN 47 -2.175 -2.527 -7.445
202 2HE2 GLN 47 2HE2 GLN 47 -1.056 -3.710 -8.104
203 H ALA 48 H ALA 48 -5.463 -5.467 -1.754
204 HA ALA 48 HA ALA 48 -7.791 -7.267 -2.105
205 1HB ALA 48 1HB ALA 48 -6.611 -9.093 -0.943
206 2HB ALA 48 3HB ALA 48 -5.136 -8.108 -0.851
207 3HB ALA 48 2HB ALA 48 -5.750 -8.655 -2.427
208 H GLY 49 H GLY 49 -8.468 -8.122 0.119
209 1HA GLY 49 2HA GLY 49 -8.047 -6.219 2.387
210 2HA GLY 49 1HA GLY 49 -8.731 -7.838 2.482
No H/Q in entry = 210
Start of MODEL 30
1 H1 ARG 23 2H ARG 23 -7.274 2.421 -2.538
2 H2 ARG 23 1H ARG 23 -8.852 2.351 -2.105
3 H3 ARG 23 3H ARG 23 -8.392 1.922 -3.621
4 HA ARG 23 HA ARG 23 -7.851 4.126 -4.239
5 1HB ARG 23 1HB ARG 23 -10.556 3.864 -2.887
6 2HB ARG 23 2HB ARG 23 -10.038 5.382 -3.564
7 1HG ARG 23 1HG ARG 23 -11.454 4.212 -5.119
8 2HG ARG 23 2HG ARG 23 -9.860 4.518 -5.786
9 1HD ARG 23 1HD ARG 23 -10.835 2.337 -6.431
10 2HD ARG 23 2HD ARG 23 -9.260 2.189 -5.651
11 HE ARG 23 HE ARG 23 -11.053 1.890 -3.545
12 1HH1 ARG 23 2HH2 ARG 23 -10.797 0.109 -6.566
13 2HH1 ARG 23 1HH2 ARG 23 -11.358 -1.352 -5.795
14 1HH2 ARG 23 2HH1 ARG 23 -11.509 0.124 -2.675
15 2HH2 ARG 23 1HH1 ARG 23 -11.602 -1.398 -3.552
16 H ALA 24 H ALA 24 -8.428 3.965 -0.679
17 HA ALA 24 HA ALA 24 -7.126 6.661 -0.483
18 1HB ALA 24 3HB ALA 24 -9.532 6.739 -0.135
19 2HB ALA 24 1HB ALA 24 -9.414 5.514 1.143
20 3HB ALA 24 2HB ALA 24 -8.659 7.107 1.361
21 HA PRO 25 HA PRO 25 -4.606 3.534 1.989
22 1HB PRO 25 1HB PRO 25 -2.115 4.192 1.015
23 2HB PRO 25 2HB PRO 25 -3.214 3.014 0.235
24 1HG PRO 25 1HG PRO 25 -2.833 5.941 -0.439
25 2HG PRO 25 2HG PRO 25 -2.847 4.536 -1.556
26 1HD PRO 25 1HD PRO 25 -5.050 6.057 -1.190
27 2HD PRO 25 2HD PRO 25 -5.182 4.278 -1.350
28 H ARG 26 H ARG 26 -4.577 6.997 1.695
29 HA ARG 26 HA ARG 26 -2.607 7.734 3.574
30 1HB ARG 26 1HB ARG 26 -3.579 9.880 3.578
31 2HB ARG 26 2HB ARG 26 -3.820 9.226 1.978
32 1HG ARG 26 1HG ARG 26 -5.984 9.762 2.131
33 2HG ARG 26 2HG ARG 26 -6.199 8.502 3.332
34 1HD ARG 26 1HD ARG 26 -5.553 11.441 3.836
35 2HD ARG 26 2HD ARG 26 -7.094 10.627 4.120
36 HE ARG 26 HE ARG 26 -4.637 9.737 5.586
37 1HH1 ARG 26 1HH2 ARG 26 -7.779 11.265 5.904
38 2HH1 ARG 26 2HH2 ARG 26 -7.788 11.036 7.632
39 1HH2 ARG 26 1HH1 ARG 26 -4.726 9.452 7.715
40 2HH2 ARG 26 2HH1 ARG 26 -6.078 10.052 8.638
41 H ARG 27 H ARG 27 -5.582 6.168 4.281
42 HA ARG 27 HA ARG 27 -5.867 6.789 7.082
43 1HB ARG 27 1HB ARG 27 -7.248 4.800 7.167
44 2HB ARG 27 2HB ARG 27 -7.597 5.696 5.688
45 1HG ARG 27 1HG ARG 27 -6.075 4.103 4.437
46 2HG ARG 27 2HG ARG 27 -5.891 3.166 5.922
47 1HD ARG 27 1HD ARG 27 -8.167 2.521 5.953
48 2HD ARG 27 2HD ARG 27 -8.623 3.756 4.778
49 HE ARG 27 HE ARG 27 -6.863 1.392 4.115
50 1HH1 ARG 27 1HH2 ARG 27 -9.270 3.733 2.986
51 2HH1 ARG 27 2HH2 ARG 27 -9.328 2.935 1.412
52 1HH2 ARG 27 1HH1 ARG 27 -7.217 0.437 2.138
53 2HH2 ARG 27 2HH1 ARG 27 -8.176 1.328 0.935
54 H GLN 28 H GLN 28 -3.518 4.876 5.441
55 HA GLN 28 HA GLN 28 -2.532 3.645 7.992
56 1HB GLN 28 1HB GLN 28 -3.816 2.234 6.186
57 2HB GLN 28 2HB GLN 28 -2.364 2.435 5.211
58 1HG GLN 28 1HG GLN 28 -1.165 1.482 7.411
59 2HG GLN 28 2HG GLN 28 -2.789 0.910 7.786
60 1HE2 GLN 28 2HE2 GLN 28 -3.810 -0.109 5.397
61 2HE2 GLN 28 1HE2 GLN 28 -2.691 -1.341 4.845
62 H GLY 29 H GLY 29 -1.659 5.412 5.073
63 1HA GLY 29 2HA GLY 29 1.130 5.798 5.717
64 2HA GLY 29 1HA GLY 29 0.344 6.072 4.153
65 H CYS 30 H CYS 30 -0.655 3.303 4.013
66 HA CYS 30 HA CYS 30 -0.206 1.149 3.670
67 1HB CYS 30 1HB CYS 30 1.751 2.670 1.952
68 2HB CYS 30 2HB CYS 30 1.664 0.903 1.864
69 H TRP 31 H TRP 31 1.394 2.154 6.118
70 HA TRP 31 HA TRP 31 3.945 0.971 5.999
71 1HB TRP 31 1HB TRP 31 2.982 2.748 7.593
72 2HB TRP 31 2HB TRP 31 2.455 1.396 8.590
73 HD1 TRP 31 HD1 TRP 31 4.193 0.779 10.376
74 HE1 TRP 31 HE1 TRP 31 6.733 0.995 10.695
75 HE3 TRP 31 HE3 TRP 31 5.398 2.922 5.879
76 HZ2 TRP 31 HZ2 TRP 31 9.003 1.932 9.174
77 HZ3 TRP 31 HZ3 TRP 31 7.767 3.423 5.321
78 HH2 TRP 31 HH2 TRP 31 9.573 2.939 6.957
79 H LYS 32 H LYS 32 1.014 -0.726 6.414
80 HA LYS 32 HA LYS 32 2.477 -3.254 7.130
81 1HB LYS 32 1HB LYS 32 0.760 -2.492 8.772
82 2HB LYS 32 2HB LYS 32 -0.466 -2.570 7.499
83 1HG LYS 32 1HG LYS 32 -0.099 -5.014 7.282
84 2HG LYS 32 2HG LYS 32 1.215 -4.929 8.464
85 1HD LYS 32 1HD LYS 32 -0.764 -5.788 9.541
86 2HD LYS 32 2HD LYS 32 -0.410 -4.183 10.199
87 1HE LYS 32 1HE LYS 32 -2.152 -3.194 8.722
88 2HE LYS 32 2HE LYS 32 -2.470 -4.787 8.022
89 1HZ LYS 32 3HZ LYS 32 -3.180 -5.539 10.230
90 2HZ LYS 32 1HZ LYS 32 -2.883 -4.069 10.878
91 3HZ LYS 32 2HZ LYS 32 -4.068 -4.251 9.770
92 H CYS 33 H CYS 33 0.231 -1.718 4.903
93 HA CYS 33 HA CYS 33 -0.342 -3.728 3.021
94 1HB CYS 33 1HB CYS 33 -1.263 -1.431 3.178
95 2HB CYS 33 2HB CYS 33 0.311 -0.769 2.740
96 H GLY 34 H GLY 34 2.568 -1.730 3.402
97 1HA GLY 34 2HA GLY 34 4.138 -3.413 1.494
98 2HA GLY 34 1HA GLY 34 4.485 -3.496 3.219
99 H LYS 35 H LYS 35 3.812 -0.291 2.954
100 HA LYS 35 HA LYS 35 5.648 0.827 1.192
101 1HB LYS 35 1HB LYS 35 3.734 1.940 2.352
102 2HB LYS 35 2HB LYS 35 4.697 2.044 3.813
103 1HG LYS 35 1HG LYS 35 4.710 4.177 2.724
104 2HG LYS 35 2HG LYS 35 6.318 3.525 2.585
105 1HD LYS 35 1HD LYS 35 4.908 2.682 0.211
106 2HD LYS 35 2HD LYS 35 4.401 4.326 0.532
107 1HE LYS 35 1HE LYS 35 6.244 4.590 -0.879
108 2HE LYS 35 2HE LYS 35 6.878 4.946 0.728
109 1HZ LYS 35 1HZ LYS 35 7.744 2.625 0.776
110 2HZ LYS 35 2HZ LYS 35 7.223 2.391 -0.775
111 3HZ LYS 35 3HZ LYS 35 8.381 3.491 -0.454
112 H THR 36 H THR 36 6.542 -0.631 4.161
113 HA THR 36 HA THR 36 9.102 0.473 4.701
114 HB THR 36 HB THR 36 9.661 -1.855 5.453
115 HG1 THR 36 HG1 THR 36 8.012 -3.382 5.348
116 1HG2 THR 36 1HG2 THR 36 8.501 -0.283 6.981
117 2HG2 THR 36 2HG2 THR 36 6.927 -0.857 6.392
118 3HG2 THR 36 3HG2 THR 36 8.011 -1.960 7.264
119 H GLY 37 H GLY 37 8.033 -1.443 1.945
120 1HA GLY 37 2HA GLY 37 10.233 -2.273 0.587
121 2HA GLY 37 1HA GLY 37 10.457 -0.525 0.543
122 H HIS 38 H HIS 38 7.084 -1.402 0.364
123 HA HIS 38 HA HIS 38 7.044 -2.170 -2.348
124 1HB HIS 38 1HB HIS 38 4.838 -2.482 -2.194
125 2HB HIS 38 2HB HIS 38 5.312 -2.679 -0.534
126 HD1 HIS 38 HD1 HIS 38 4.765 0.979 -1.438
127 HD2 HIS 38 HD2 HIS 38 2.482 -2.385 -0.400
128 HE1 HIS 38 HE1 HIS 38 2.444 1.844 -0.840
129 H VAL 39 H VAL 39 5.866 -1.333 -4.064
130 HA VAL 39 HA VAL 39 5.647 1.632 -4.372
131 HB VAL 39 HB VAL 39 6.282 -0.479 -6.487
132 1HG1 VAL 39 2HG1 VAL 39 5.928 2.538 -6.787
133 2HG1 VAL 39 3HG1 VAL 39 6.606 1.462 -8.026
134 3HG1 VAL 39 1HG1 VAL 39 4.932 1.264 -7.542
135 1HG2 VAL 39 2HG2 VAL 39 7.979 1.807 -5.388
136 2HG2 VAL 39 3HG2 VAL 39 8.264 0.074 -5.122
137 3HG2 VAL 39 1HG2 VAL 39 8.424 0.746 -6.744
138 H MET 40 H MET 40 3.733 2.254 -5.612
139 HA MET 40 HA MET 40 1.410 1.073 -4.613
140 1HB MET 40 1HB MET 40 1.570 2.912 -7.018
141 2HB MET 40 2HB MET 40 0.175 2.646 -5.971
142 1HG MET 40 1HG MET 40 2.786 4.024 -5.286
143 2HG MET 40 2HG MET 40 1.185 4.733 -5.354
144 1HE MET 40 3HE MET 40 -0.655 4.507 -3.484
145 2HE MET 40 1HE MET 40 -0.666 2.739 -3.691
146 3HE MET 40 2HE MET 40 -0.511 3.441 -2.069
147 H ALA 41 H ALA 41 3.095 -0.027 -7.399
148 HA ALA 41 HA ALA 41 0.953 -1.367 -8.773
149 1HB ALA 41 1HB ALA 41 3.143 -0.854 -9.788
150 2HB ALA 41 2HB ALA 41 3.946 -1.954 -8.642
151 3HB ALA 41 3HB ALA 41 2.804 -2.594 -9.844
152 H LYS 42 H LYS 42 2.849 -2.253 -5.885
153 HA LYS 42 HA LYS 42 1.679 -4.989 -5.736
154 1HB LYS 42 1HB LYS 42 3.952 -4.574 -4.822
155 2HB LYS 42 2HB LYS 42 3.303 -3.359 -3.727
156 1HG LYS 42 1HG LYS 42 1.793 -5.275 -2.786
157 2HG LYS 42 2HG LYS 42 2.845 -6.369 -3.691
158 1HD LYS 42 1HD LYS 42 4.806 -5.420 -2.445
159 2HD LYS 42 2HD LYS 42 3.702 -4.395 -1.518
160 1HE LYS 42 1HE LYS 42 3.623 -7.439 -1.541
161 2HE LYS 42 2HE LYS 42 4.475 -6.472 -0.338
162 1HZ LYS 42 3HZ LYS 42 2.319 -5.474 0.305
163 2HZ LYS 42 1HZ LYS 42 1.541 -6.425 -0.790
164 3HZ LYS 42 2HZ LYS 42 2.306 -7.092 0.480
165 H CYS 43 H CYS 43 1.657 -2.216 -3.596
166 HA CYS 43 HA CYS 43 0.163 -2.122 -1.715
167 1HB CYS 43 1HB CYS 43 0.798 -0.151 -3.007
168 2HB CYS 43 2HB CYS 43 -0.631 -0.359 -4.043
169 HA PRO 44 HA PRO 44 -3.698 -4.623 -2.366
170 1HB PRO 44 1HB PRO 44 -3.123 -4.441 0.605
171 2HB PRO 44 2HB PRO 44 -3.956 -5.750 -0.297
172 1HG PRO 44 1HG PRO 44 -1.339 -6.007 0.342
173 2HG PRO 44 2HG PRO 44 -1.904 -6.464 -1.299
174 1HD PRO 44 1HD PRO 44 -0.419 -3.996 -0.445
175 2HD PRO 44 2HD PRO 44 -0.299 -4.928 -1.957
176 H GLU 45 H GLU 45 -2.949 -1.841 -0.161
177 HA GLU 45 HA GLU 45 -5.670 -1.074 0.281
178 1HB GLU 45 1HB GLU 45 -3.092 0.518 0.387
179 2HB GLU 45 2HB GLU 45 -4.648 1.180 0.872
180 1HG GLU 45 1HG GLU 45 -3.533 -1.335 2.164
181 2HG GLU 45 2HG GLU 45 -3.094 0.287 2.696
182 H ARG 46 H ARG 46 -3.820 -0.694 -2.615
183 HA ARG 46 HA ARG 46 -5.223 1.406 -3.947
184 1HB ARG 46 1HB ARG 46 -3.201 0.137 -4.739
185 2HB ARG 46 2HB ARG 46 -4.258 -1.253 -5.033
186 1HG ARG 46 1HG ARG 46 -5.513 0.101 -6.730
187 2HG ARG 46 2HG ARG 46 -4.405 1.448 -6.432
188 1HD ARG 46 1HD ARG 46 -3.733 0.214 -8.434
189 2HD ARG 46 2HD ARG 46 -2.498 0.069 -7.189
190 HE ARG 46 HE ARG 46 -4.449 -2.059 -8.029
191 1HH1 ARG 46 2HH2 ARG 46 -1.362 -1.371 -6.434
192 2HH1 ARG 46 1HH2 ARG 46 -1.236 -3.047 -5.932
193 1HH2 ARG 46 1HH1 ARG 46 -4.084 -4.117 -7.411
194 2HH2 ARG 46 2HH1 ARG 46 -2.578 -4.551 -6.619
195 H GLN 47 H GLN 47 -6.188 -1.949 -3.270
196 HA GLN 47 HA GLN 47 -8.842 -1.464 -4.592
197 1HB GLN 47 1HB GLN 47 -7.017 -3.887 -4.686
198 2HB GLN 47 2HB GLN 47 -8.712 -3.925 -5.189
199 1HG GLN 47 1HG GLN 47 -8.309 -2.208 -6.894
200 2HG GLN 47 2HG GLN 47 -6.626 -2.048 -6.381
201 1HE2 GLN 47 1HE2 GLN 47 -8.916 -4.594 -7.622
202 2HE2 GLN 47 2HE2 GLN 47 -7.653 -5.405 -8.539
203 H ALA 48 H ALA 48 -7.294 -2.740 -1.694
204 HA ALA 48 HA ALA 48 -9.579 -4.130 -0.655
205 1HB ALA 48 1HB ALA 48 -7.200 -2.857 0.766
206 2HB ALA 48 2HB ALA 48 -8.297 -4.077 1.445
207 3HB ALA 48 3HB ALA 48 -7.247 -4.497 0.078
208 H GLY 49 H GLY 49 -8.987 -0.746 -0.934
209 1HA GLY 49 2HA GLY 49 -10.331 0.464 1.234
210 2HA GLY 49 1HA GLY 49 -11.577 0.007 0.071
No H/Q in entry = 210