Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26691 | 2nx6 RC | 15103 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -4.405 -13.611 -2.042
2 H2 GLY 1 2H GLY 1 -3.602 -12.215 -1.528
3 H3 GLY 1 3H GLY 1 -3.171 -13.721 -0.891
4 HA2 GLY 1 1HA GLY 1 -1.714 -14.074 -2.498
5 HA3 GLY 1 2HA GLY 1 -2.977 -13.837 -3.696
6 H SER 2 H SER 2 -3.637 -11.224 -3.422
7 HA SER 2 HA SER 2 -1.163 -9.896 -4.269
8 HG SER 2 HG SER 2 -2.285 -8.804 -6.827
9 HB2 SER 2 1HB SER 2 -3.459 -10.041 -5.622
10 HB3 SER 2 2HB SER 2 -3.824 -8.611 -4.656
11 H SER 3 H SER 3 -1.089 -7.490 -3.787
12 HA SER 3 HA SER 3 -0.980 -5.765 -2.303
13 HG SER 3 HG SER 3 -3.892 -6.035 0.222
14 HB2 SER 3 1HB SER 3 -3.054 -5.235 -1.745
15 HB3 SER 3 2HB SER 3 -3.582 -6.906 -1.898
16 H SER 4 H SER 4 0.947 -6.189 -1.441
17 HA SER 4 HA SER 4 1.362 -8.210 0.562
18 HG SER 4 HG SER 4 3.719 -7.610 1.726
19 HB2 SER 4 1HB SER 4 3.187 -7.231 -1.030
20 HB3 SER 4 2HB SER 4 3.308 -5.953 0.176
21 H CYS 5 H CYS 5 0.130 -5.169 0.700
22 HA CYS 5 HA CYS 5 0.676 -4.917 3.540
23 HB2 CYS 5 1HB CYS 5 0.140 -2.848 1.419
24 HB3 CYS 5 2HB CYS 5 -0.192 -2.499 3.098
25 HA PRO 6 HA PRO 6 -3.636 -6.105 3.793
26 HB2 PRO 6 1HB PRO 6 -3.901 -6.056 6.485
27 HB3 PRO 6 2HB PRO 6 -3.035 -7.332 5.622
28 HG2 PRO 6 1HG PRO 6 -1.942 -4.915 7.015
29 HG3 PRO 6 2HG PRO 6 -1.373 -6.593 7.083
30 HD2 PRO 6 1HD PRO 6 -0.180 -4.737 5.527
31 HD3 PRO 6 2HD PRO 6 -0.288 -6.439 5.052
32 H GLN 7 H GLN 7 -2.534 -2.995 4.903
33 HA GLN 7 HA GLN 7 -4.988 -2.038 5.902
34 HB2 GLN 7 1HB GLN 7 -2.508 -0.626 4.907
35 HB3 GLN 7 2HB GLN 7 -3.857 0.160 5.657
36 HG2 GLN 7 1HG GLN 7 -1.593 -0.768 6.882
37 HG3 GLN 7 2HG GLN 7 -3.062 -0.210 7.669
38 HE21 GLN 7 1HE2 GLN 7 -0.927 -2.393 8.101
39 HE22 GLN 7 2HE2 GLN 7 -1.866 -3.777 8.532
40 H PHE 8 H PHE 8 -3.415 -2.141 2.784
41 HA PHE 8 HA PHE 8 -5.811 -0.979 1.557
42 HD1 PHE 8 HD1 PHE 8 -5.489 1.965 2.256
43 HD2 PHE 8 HD2 PHE 8 -1.694 0.039 2.542
44 HE1 PHE 8 HE1 PHE 8 -4.927 3.318 4.189
45 HE2 PHE 8 HE2 PHE 8 -1.147 1.419 4.474
46 HZ PHE 8 HZ PHE 8 -2.760 3.074 5.313
47 HB2 PHE 8 1HB PHE 8 -3.043 -0.294 0.656
48 HB3 PHE 8 2HB PHE 8 -4.529 0.607 0.375
49 HA PRO 9 HA PRO 9 -4.773 -4.625 -0.945
50 HB2 PRO 9 1HB PRO 9 -7.036 -4.878 -2.356
51 HB3 PRO 9 2HB PRO 9 -6.952 -5.288 -0.640
52 HG2 PRO 9 1HG PRO 9 -8.067 -2.846 -1.949
53 HG3 PRO 9 2HG PRO 9 -8.675 -3.754 -0.558
54 HD2 PRO 9 1HD PRO 9 -7.220 -1.410 -0.365
55 HD3 PRO 9 2HD PRO 9 -7.374 -2.637 0.910
56 H SER 10 H SER 10 -5.309 -1.534 -2.120
57 HA SER 10 HA SER 10 -4.608 -2.288 -4.863
58 HG SER 10 HG SER 10 -7.675 -0.441 -4.754
59 HB2 SER 10 1HB SER 10 -5.616 0.414 -4.001
60 HB3 SER 10 2HB SER 10 -5.611 -0.285 -5.620
61 H CYS 11 H CYS 11 -2.797 -1.586 -2.321
62 HA CYS 11 HA CYS 11 -1.397 0.734 -2.969
63 HB2 CYS 11 1HB CYS 11 -1.289 -0.547 -0.780
64 HB3 CYS 11 2HB CYS 11 -0.235 -1.684 -1.595
65 H SER 12 H SER 12 -0.269 1.142 -4.779
66 HA SER 12 HA SER 12 0.586 -0.716 -6.648
67 HG SER 12 HG SER 12 2.464 0.716 -8.236
68 HB2 SER 12 1HB SER 12 0.598 1.478 -7.416
69 HB3 SER 12 2HB SER 12 1.436 2.085 -6.002
70 HA PRO 13 HA PRO 13 3.955 -2.828 -4.771
71 HB2 PRO 13 1HB PRO 13 5.774 -2.625 -6.963
72 HB3 PRO 13 2HB PRO 13 4.736 -4.005 -6.593
73 HG2 PRO 13 1HG PRO 13 4.356 -1.829 -8.557
74 HG3 PRO 13 2HG PRO 13 3.739 -3.489 -8.572
75 HD2 PRO 13 1HD PRO 13 2.165 -1.363 -8.082
76 HD3 PRO 13 2HD PRO 13 1.879 -2.943 -7.324
77 H SER 14 H SER 14 4.326 0.224 -6.476
78 HA SER 14 HA SER 14 6.884 0.880 -5.399
79 HG SER 14 HG SER 14 4.713 4.007 -6.589
80 HB2 SER 14 1HB SER 14 6.609 2.996 -6.388
81 HB3 SER 14 2HB SER 14 5.696 1.909 -7.435
82 H CYS 15 H CYS 15 3.608 1.508 -4.312
83 HA CYS 15 HA CYS 15 4.561 3.090 -2.089
84 HB2 CYS 15 1HB CYS 15 1.768 2.225 -2.853
85 HB3 CYS 15 2HB CYS 15 2.157 3.273 -1.492
86 H ALA 16 H ALA 16 4.800 -0.057 -2.583
87 HA ALA 16 HA ALA 16 4.072 -0.688 0.205
88 HB1 ALA 16 3HB ALA 16 4.221 -2.994 -1.568
89 HB2 ALA 16 1HB ALA 16 2.946 -1.844 -1.987
90 HB3 ALA 16 2HB ALA 16 3.001 -2.547 -0.374
91 HA PRO 17 HA PRO 17 4.326 -2.632 1.341
92 HB2 PRO 17 1HB PRO 17 5.587 -3.851 3.286
93 HB3 PRO 17 2HB PRO 17 5.660 -4.537 1.655
94 HG2 PRO 17 1HG PRO 17 7.690 -2.848 3.084
95 HG3 PRO 17 2HG PRO 17 7.943 -4.348 2.169
96 HD2 PRO 17 1HD PRO 17 8.300 -1.797 1.153
97 HD3 PRO 17 2HD PRO 17 7.996 -3.242 0.171
98 H GLN 18 H GLN 18 5.983 0.067 1.675
99 HA GLN 18 HA GLN 18 6.332 0.725 4.314
100 HB2 GLN 18 1HB GLN 18 6.114 2.967 3.755
101 HB3 GLN 18 2HB GLN 18 6.591 2.241 2.244
102 HG2 GLN 18 1HG GLN 18 4.418 2.472 1.343
103 HG3 GLN 18 2HG GLN 18 3.734 2.825 2.925
104 HE21 GLN 18 1HE2 GLN 18 5.241 4.725 3.958
105 HE22 GLN 18 2HE2 GLN 18 5.279 6.132 2.956
106 H CYS 19 H CYS 19 3.423 0.119 2.643
107 HA CYS 19 HA CYS 19 1.254 -0.117 3.216
108 HB2 CYS 19 1HB CYS 19 2.447 -0.477 5.961
109 HB3 CYS 19 2HB CYS 19 0.798 -0.856 5.517
110 H SER 20 H SER 20 1.815 2.582 2.939
111 HA SER 20 HA SER 20 0.252 3.737 5.161
112 HG SER 20 HG SER 20 1.969 5.295 2.486
113 HB2 SER 20 1HB SER 20 1.342 5.908 4.671
114 HB3 SER 20 2HB SER 20 2.495 4.688 5.208
115 H GLN 21 H GLN 21 -1.631 4.656 4.648
116 HA GLN 21 HA GLN 21 -2.864 4.387 2.213
117 HB2 GLN 21 1HB GLN 21 -3.971 4.892 4.419
118 HB3 GLN 21 2HB GLN 21 -3.501 6.571 4.205
119 HG2 GLN 21 1HG GLN 21 -4.851 5.357 1.938
120 HG3 GLN 21 2HG GLN 21 -5.841 5.532 3.370
121 HE21 GLN 21 1HE2 GLN 21 -6.754 7.436 3.742
122 HE22 GLN 21 2HE2 GLN 21 -6.360 8.914 2.939
123 H GLN 22 H GLN 22 -0.861 6.998 3.353
124 HA GLN 22 HA GLN 22 -1.559 9.015 1.622
125 HB2 GLN 22 1HB GLN 22 1.039 8.367 2.966
126 HB3 GLN 22 2HB GLN 22 0.981 9.649 1.768
127 HG2 GLN 22 1HG GLN 22 -1.173 9.840 3.702
128 HG3 GLN 22 2HG GLN 22 0.425 9.891 4.446
129 HE21 GLN 22 1HE2 GLN 22 -1.954 11.744 3.210
130 HE22 GLN 22 2HE2 GLN 22 -1.044 13.139 2.748
131 H CYS 23 H CYS 23 1.050 6.634 0.981
132 HA CYS 23 HA CYS 23 1.269 7.574 -1.721
133 HB2 CYS 23 1HB CYS 23 3.209 6.704 -0.389
134 HB3 CYS 23 2HB CYS 23 2.517 5.094 -0.525
135 H CYS 24 H CYS 24 0.088 4.589 -0.183
136 HA CYS 24 HA CYS 24 -0.571 3.288 -2.590
137 HB2 CYS 24 1HB CYS 24 -1.960 2.857 0.061
138 HB3 CYS 24 2HB CYS 24 -1.802 1.734 -1.272
139 H GLN 25 H GLN 25 -2.417 5.515 -0.569
140 HA GLN 25 HA GLN 25 -4.712 5.175 -2.327
141 HB2 GLN 25 1HB GLN 25 -4.508 5.420 0.430
142 HB3 GLN 25 2HB GLN 25 -5.180 6.952 -0.118
143 HG2 GLN 25 1HG GLN 25 -6.332 4.520 -1.280
144 HG3 GLN 25 2HG GLN 25 -6.623 4.778 0.437
145 HE21 GLN 25 1HE2 GLN 25 -8.264 4.965 -2.151
146 HE22 GLN 25 2HE2 GLN 25 -9.101 6.468 -1.988
147 H GLN 26 H GLN 26 -3.574 8.039 -0.649
148 HA GLN 26 HA GLN 26 -3.148 9.497 -3.061
149 HB2 GLN 26 1HB GLN 26 -5.703 9.758 -1.551
150 HB3 GLN 26 2HB GLN 26 -4.988 11.226 -2.196
151 HG2 GLN 26 1HG GLN 26 -4.879 9.954 -4.420
152 HG3 GLN 26 2HG GLN 26 -6.008 8.830 -3.664
153 HE21 GLN 26 1HE2 GLN 26 -5.655 12.365 -3.695
154 HE22 GLN 26 2HE2 GLN 26 -7.281 12.692 -4.178
155 HA PRO 27 HA PRO 27 -0.729 12.121 -0.443
156 HB2 PRO 27 1HB PRO 27 -1.392 14.677 -1.143
157 HB3 PRO 27 2HB PRO 27 -0.363 13.630 -2.129
158 HG2 PRO 27 1HG PRO 27 -3.287 14.215 -2.407
159 HG3 PRO 27 2HG PRO 27 -2.038 14.129 -3.664
160 HD2 PRO 27 1HD PRO 27 -3.735 12.101 -3.228
161 HD3 PRO 27 2HD PRO 27 -2.043 11.816 -3.688
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 2.903 -12.595 -5.455
2 H2 GLY 1 2H GLY 1 1.553 -12.063 -6.325
3 H3 GLY 1 3H GLY 1 1.347 -12.833 -4.834
4 HA2 GLY 1 1HA GLY 1 2.249 -11.028 -3.639
5 HA3 GLY 1 2HA GLY 1 2.823 -10.283 -5.122
6 H SER 2 H SER 2 -0.165 -11.316 -3.501
7 HA SER 2 HA SER 2 -1.645 -9.269 -4.983
8 HG SER 2 HG SER 2 -1.737 -12.584 -4.045
9 HB2 SER 2 1HB SER 2 -3.561 -10.488 -3.538
10 HB3 SER 2 2HB SER 2 -3.000 -11.104 -5.092
11 H SER 3 H SER 3 -0.709 -7.489 -3.830
12 HA SER 3 HA SER 3 -0.798 -5.813 -2.288
13 HG SER 3 HG SER 3 -3.078 -7.517 0.058
14 HB2 SER 3 1HB SER 3 -2.933 -5.449 -1.834
15 HB3 SER 3 2HB SER 3 -3.330 -7.146 -2.071
16 H SER 4 H SER 4 1.115 -6.158 -1.352
17 HA SER 4 HA SER 4 1.504 -8.180 0.667
18 HG SER 4 HG SER 4 4.690 -8.142 0.422
19 HB2 SER 4 1HB SER 4 3.357 -7.177 -0.885
20 HB3 SER 4 2HB SER 4 3.436 -5.909 0.334
21 H CYS 5 H CYS 5 0.233 -5.146 0.750
22 HA CYS 5 HA CYS 5 0.701 -4.880 3.602
23 HB2 CYS 5 1HB CYS 5 0.217 -2.823 1.459
24 HB3 CYS 5 2HB CYS 5 -0.160 -2.467 3.126
25 HA PRO 6 HA PRO 6 -3.622 -6.067 3.735
26 HB2 PRO 6 1HB PRO 6 -3.945 -6.084 6.413
27 HB3 PRO 6 2HB PRO 6 -3.037 -7.330 5.549
28 HG2 PRO 6 1HG PRO 6 -2.015 -4.918 7.006
29 HG3 PRO 6 2HG PRO 6 -1.432 -6.590 7.079
30 HD2 PRO 6 1HD PRO 6 -0.209 -4.714 5.572
31 HD3 PRO 6 2HD PRO 6 -0.293 -6.413 5.079
32 H GLN 7 H GLN 7 -2.534 -2.978 4.882
33 HA GLN 7 HA GLN 7 -4.986 -2.026 5.896
34 HB2 GLN 7 1HB GLN 7 -2.507 -0.609 4.904
35 HB3 GLN 7 2HB GLN 7 -3.852 0.172 5.668
36 HG2 GLN 7 1HG GLN 7 -1.585 -0.769 6.876
37 HG3 GLN 7 2HG GLN 7 -3.052 -0.222 7.676
38 HE21 GLN 7 1HE2 GLN 7 -0.917 -2.392 8.099
39 HE22 GLN 7 2HE2 GLN 7 -1.848 -3.787 8.511
40 H PHE 8 H PHE 8 -3.430 -2.124 2.773
41 HA PHE 8 HA PHE 8 -5.820 -0.933 1.561
42 HD1 PHE 8 HD2 PHE 8 -5.455 2.040 2.209
43 HD2 PHE 8 HD1 PHE 8 -1.707 0.031 2.545
44 HE1 PHE 8 HE2 PHE 8 -4.880 3.388 4.138
45 HE2 PHE 8 HE1 PHE 8 -1.150 1.413 4.473
46 HZ PHE 8 HZ PHE 8 -2.731 3.108 5.284
47 HB2 PHE 8 1HB PHE 8 -3.048 -0.282 0.646
48 HB3 PHE 8 2HB PHE 8 -4.525 0.631 0.358
49 HA PRO 9 HA PRO 9 -4.843 -4.609 -0.924
50 HB2 PRO 9 1HB PRO 9 -7.112 -4.839 -2.327
51 HB3 PRO 9 2HB PRO 9 -7.029 -5.238 -0.609
52 HG2 PRO 9 1HG PRO 9 -8.112 -2.787 -1.931
53 HG3 PRO 9 2HG PRO 9 -8.730 -3.677 -0.534
54 HD2 PRO 9 1HD PRO 9 -7.240 -1.354 -0.357
55 HD3 PRO 9 2HD PRO 9 -7.407 -2.572 0.925
56 H SER 10 H SER 10 -5.332 -1.520 -2.117
57 HA SER 10 HA SER 10 -4.637 -2.310 -4.856
58 HG SER 10 HG SER 10 -5.469 -1.030 -6.457
59 HB2 SER 10 1HB SER 10 -6.725 -0.924 -4.415
60 HB3 SER 10 2HB SER 10 -5.637 0.410 -4.029
61 H CYS 11 H CYS 11 -2.824 -1.595 -2.320
62 HA CYS 11 HA CYS 11 -1.409 0.711 -2.988
63 HB2 CYS 11 1HB CYS 11 -1.303 -0.562 -0.790
64 HB3 CYS 11 2HB CYS 11 -0.255 -1.704 -1.601
65 H SER 12 H SER 12 -0.286 1.100 -4.805
66 HA SER 12 HA SER 12 0.558 -0.785 -6.654
67 HG SER 12 HG SER 12 2.425 1.206 -8.376
68 HB2 SER 12 1HB SER 12 0.565 1.394 -7.456
69 HB3 SER 12 2HB SER 12 1.402 2.026 -6.055
70 HA PRO 13 HA PRO 13 3.933 -2.865 -4.748
71 HB2 PRO 13 1HB PRO 13 5.751 -2.689 -6.945
72 HB3 PRO 13 2HB PRO 13 4.717 -4.066 -6.553
73 HG2 PRO 13 1HG PRO 13 4.329 -1.923 -8.550
74 HG3 PRO 13 2HG PRO 13 3.716 -3.584 -8.539
75 HD2 PRO 13 1HD PRO 13 2.136 -1.456 -8.080
76 HD3 PRO 13 2HD PRO 13 1.856 -3.025 -7.296
77 H SER 14 H SER 14 4.297 0.162 -6.501
78 HA SER 14 HA SER 14 6.844 0.835 -5.413
79 HG SER 14 HG SER 14 6.465 1.827 -8.278
80 HB2 SER 14 1HB SER 14 4.807 2.192 -7.045
81 HB3 SER 14 2HB SER 14 5.798 3.256 -6.047
82 H CYS 15 H CYS 15 3.559 1.462 -4.347
83 HA CYS 15 HA CYS 15 4.509 3.098 -2.160
84 HB2 CYS 15 1HB CYS 15 1.720 2.210 -2.914
85 HB3 CYS 15 2HB CYS 15 2.099 3.258 -1.550
86 H ALA 16 H ALA 16 4.732 -0.066 -2.610
87 HA ALA 16 HA ALA 16 4.035 -0.645 0.195
88 HB1 ALA 16 3HB ALA 16 4.206 -2.985 -1.530
89 HB2 ALA 16 1HB ALA 16 2.916 -1.862 -1.970
90 HB3 ALA 16 2HB ALA 16 2.985 -2.529 -0.341
91 HA PRO 17 HA PRO 17 4.328 -2.573 1.362
92 HB2 PRO 17 1HB PRO 17 5.618 -3.732 3.324
93 HB3 PRO 17 2HB PRO 17 5.698 -4.445 1.705
94 HG2 PRO 17 1HG PRO 17 7.700 -2.694 3.098
95 HG3 PRO 17 2HG PRO 17 7.978 -4.204 2.206
96 HD2 PRO 17 1HD PRO 17 8.282 -1.663 1.146
97 HD3 PRO 17 2HD PRO 17 8.002 -3.131 0.190
98 H GLN 18 H GLN 18 5.932 0.170 1.652
99 HA GLN 18 HA GLN 18 6.280 0.880 4.275
100 HB2 GLN 18 1HB GLN 18 5.988 3.105 3.691
101 HB3 GLN 18 2HB GLN 18 6.453 2.379 2.177
102 HG2 GLN 18 1HG GLN 18 4.314 2.600 1.284
103 HG3 GLN 18 2HG GLN 18 3.577 2.795 2.871
104 HE21 GLN 18 1HE2 GLN 18 2.600 4.629 1.639
105 HE22 GLN 18 2HE2 GLN 18 3.440 6.138 1.675
106 H CYS 19 H CYS 19 3.368 0.159 2.653
107 HA CYS 19 HA CYS 19 1.212 -0.114 3.264
108 HB2 CYS 19 1HB CYS 19 2.479 -0.385 5.989
109 HB3 CYS 19 2HB CYS 19 0.815 -0.777 5.614
110 H SER 20 H SER 20 1.739 2.572 2.896
111 HA SER 20 HA SER 20 0.196 3.785 5.104
112 HG SER 20 HG SER 20 3.132 3.922 5.231
113 HB2 SER 20 1HB SER 20 1.746 5.689 3.495
114 HB3 SER 20 2HB SER 20 1.574 5.561 5.245
115 H GLN 21 H GLN 21 -1.665 4.721 4.606
116 HA GLN 21 HA GLN 21 -2.947 4.426 2.197
117 HB2 GLN 21 1HB GLN 21 -4.016 4.955 4.412
118 HB3 GLN 21 2HB GLN 21 -3.521 6.624 4.197
119 HG2 GLN 21 1HG GLN 21 -4.911 5.519 1.915
120 HG3 GLN 21 2HG GLN 21 -5.887 5.556 3.369
121 HE21 GLN 21 1HE2 GLN 21 -4.116 7.499 1.075
122 HE22 GLN 21 2HE2 GLN 21 -4.842 9.007 1.494
123 H GLN 22 H GLN 22 -0.911 7.048 3.281
124 HA GLN 22 HA GLN 22 -1.633 9.031 1.516
125 HB2 GLN 22 1HB GLN 22 0.985 8.425 2.852
126 HB3 GLN 22 2HB GLN 22 0.882 9.712 1.662
127 HG2 GLN 22 1HG GLN 22 -1.291 10.100 3.374
128 HG3 GLN 22 2HG GLN 22 0.075 9.698 4.412
129 HE21 GLN 22 1HE2 GLN 22 -1.381 12.227 4.014
130 HE22 GLN 22 2HE2 GLN 22 -0.179 13.389 3.577
131 H CYS 23 H CYS 23 0.990 6.652 0.912
132 HA CYS 23 HA CYS 23 1.208 7.561 -1.799
133 HB2 CYS 23 1HB CYS 23 3.153 6.720 -0.457
134 HB3 CYS 23 2HB CYS 23 2.471 5.103 -0.569
135 H CYS 24 H CYS 24 0.051 4.575 -0.239
136 HA CYS 24 HA CYS 24 -0.587 3.254 -2.637
137 HB2 CYS 24 1HB CYS 24 -1.986 2.834 0.007
138 HB3 CYS 24 2HB CYS 24 -1.815 1.703 -1.317
139 H GLN 25 H GLN 25 -2.477 5.481 -0.651
140 HA GLN 25 HA GLN 25 -4.741 5.099 -2.443
141 HB2 GLN 25 1HB GLN 25 -4.577 5.385 0.325
142 HB3 GLN 25 2HB GLN 25 -5.296 6.877 -0.269
143 HG2 GLN 25 1HG GLN 25 -6.636 4.978 -1.680
144 HG3 GLN 25 2HG GLN 25 -6.361 4.183 -0.134
145 HE21 GLN 25 1HE2 GLN 25 -7.722 4.610 1.465
146 HE22 GLN 25 2HE2 GLN 25 -8.851 5.917 1.508
147 H GLN 26 H GLN 26 -3.664 7.987 -0.765
148 HA GLN 26 HA GLN 26 -3.307 9.409 -3.215
149 HB2 GLN 26 1HB GLN 26 -5.422 10.112 -3.351
150 HB3 GLN 26 2HB GLN 26 -5.813 9.466 -1.774
151 HG2 GLN 26 1HG GLN 26 -5.287 11.467 -0.689
152 HG3 GLN 26 2HG GLN 26 -4.403 12.093 -2.077
153 HE21 GLN 26 1HE2 GLN 26 -5.474 13.174 -3.648
154 HE22 GLN 26 2HE2 GLN 26 -7.166 13.520 -3.602
155 HA PRO 27 HA PRO 27 -0.485 11.712 -0.662
156 HB2 PRO 27 1HB PRO 27 -0.609 14.235 -1.683
157 HB3 PRO 27 2HB PRO 27 0.232 12.904 -2.486
158 HG2 PRO 27 1HG PRO 27 -2.513 13.989 -2.995
159 HG3 PRO 27 2HG PRO 27 -1.255 13.538 -4.162
160 HD2 PRO 27 1HD PRO 27 -3.321 11.920 -3.622
161 HD3 PRO 27 2HD PRO 27 -1.695 11.281 -3.958
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 0.878 -14.342 -4.554
2 H2 GLY 1 2H GLY 1 1.294 -13.813 -6.105
3 H3 GLY 1 3H GLY 1 -0.267 -13.543 -5.511
4 HA2 GLY 1 1HA GLY 1 1.198 -12.352 -3.614
5 HA3 GLY 1 2HA GLY 1 2.180 -12.067 -5.043
6 H SER 2 H SER 2 -0.453 -11.016 -3.229
7 HA SER 2 HA SER 2 -1.007 -8.931 -5.178
8 HG SER 2 HG SER 2 -3.237 -8.346 -5.641
9 HB2 SER 2 1HB SER 2 -2.661 -11.083 -5.216
10 HB3 SER 2 2HB SER 2 -3.464 -10.086 -4.004
11 H SER 3 H SER 3 -0.552 -7.194 -3.990
12 HA SER 3 HA SER 3 -0.677 -5.604 -2.361
13 HG SER 3 HG SER 3 -2.925 -7.436 -0.153
14 HB2 SER 3 1HB SER 3 -2.822 -5.258 -1.940
15 HB3 SER 3 2HB SER 3 -3.216 -6.938 -2.279
16 H SER 4 H SER 4 1.213 -6.006 -1.400
17 HA SER 4 HA SER 4 1.529 -8.127 0.543
18 HG SER 4 HG SER 4 3.770 -7.718 1.790
19 HB2 SER 4 1HB SER 4 3.423 -7.088 -0.948
20 HB3 SER 4 2HB SER 4 3.517 -5.894 0.343
21 H CYS 5 H CYS 5 0.285 -5.095 0.720
22 HA CYS 5 HA CYS 5 0.755 -4.907 3.577
23 HB2 CYS 5 1HB CYS 5 0.271 -2.794 1.489
24 HB3 CYS 5 2HB CYS 5 -0.103 -2.480 3.166
25 HA PRO 6 HA PRO 6 -3.562 -6.104 3.693
26 HB2 PRO 6 1HB PRO 6 -3.880 -6.178 6.372
27 HB3 PRO 6 2HB PRO 6 -2.972 -7.405 5.480
28 HG2 PRO 6 1HG PRO 6 -1.952 -5.021 6.984
29 HG3 PRO 6 2HG PRO 6 -1.364 -6.693 7.022
30 HD2 PRO 6 1HD PRO 6 -0.148 -4.786 5.550
31 HD3 PRO 6 2HD PRO 6 -0.233 -6.474 5.020
32 H GLN 7 H GLN 7 -2.480 -3.036 4.893
33 HA GLN 7 HA GLN 7 -4.922 -2.106 5.941
34 HB2 GLN 7 1HB GLN 7 -2.467 -0.664 4.925
35 HB3 GLN 7 2HB GLN 7 -3.803 0.100 5.722
36 HG2 GLN 7 1HG GLN 7 -1.511 -0.825 6.882
37 HG3 GLN 7 2HG GLN 7 -2.975 -0.322 7.715
38 HE21 GLN 7 1HE2 GLN 7 -0.788 -2.462 8.048
39 HE22 GLN 7 2HE2 GLN 7 -1.684 -3.881 8.453
40 H PHE 8 H PHE 8 -3.407 -2.176 2.801
41 HA PHE 8 HA PHE 8 -5.817 -0.996 1.619
42 HD1 PHE 8 HD2 PHE 8 -5.474 1.972 2.275
43 HD2 PHE 8 HD1 PHE 8 -1.704 0.002 2.571
44 HE1 PHE 8 HE2 PHE 8 -4.891 3.334 4.195
45 HE2 PHE 8 HE1 PHE 8 -1.138 1.390 4.494
46 HZ PHE 8 HZ PHE 8 -2.727 3.072 5.319
47 HB2 PHE 8 1HB PHE 8 -3.061 -0.315 0.679
48 HB3 PHE 8 2HB PHE 8 -4.550 0.585 0.412
49 HA PRO 9 HA PRO 9 -4.831 -4.651 -0.889
50 HB2 PRO 9 1HB PRO 9 -7.109 -4.895 -2.275
51 HB3 PRO 9 2HB PRO 9 -7.008 -5.301 -0.560
52 HG2 PRO 9 1HG PRO 9 -8.123 -2.854 -1.862
53 HG3 PRO 9 2HG PRO 9 -8.722 -3.755 -0.462
54 HD2 PRO 9 1HD PRO 9 -7.251 -1.420 -0.290
55 HD3 PRO 9 2HD PRO 9 -7.396 -2.645 0.989
56 H SER 10 H SER 10 -5.358 -1.563 -2.070
57 HA SER 10 HA SER 10 -4.681 -2.341 -4.817
58 HG SER 10 HG SER 10 -5.389 0.649 -6.033
59 HB2 SER 10 1HB SER 10 -6.775 -0.969 -4.350
60 HB3 SER 10 2HB SER 10 -5.690 0.372 -3.979
61 H CYS 11 H CYS 11 -2.850 -1.619 -2.298
62 HA CYS 11 HA CYS 11 -1.456 0.698 -2.976
63 HB2 CYS 11 1HB CYS 11 -1.331 -0.569 -0.778
64 HB3 CYS 11 2HB CYS 11 -0.280 -1.708 -1.592
65 H SER 12 H SER 12 -0.344 1.089 -4.799
66 HA SER 12 HA SER 12 0.504 -0.793 -6.651
67 HG SER 12 HG SER 12 2.520 1.706 -8.172
68 HB2 SER 12 1HB SER 12 0.500 1.391 -7.451
69 HB3 SER 12 2HB SER 12 1.342 2.022 -6.052
70 HA PRO 13 HA PRO 13 3.894 -2.856 -4.750
71 HB2 PRO 13 1HB PRO 13 5.704 -2.679 -6.954
72 HB3 PRO 13 2HB PRO 13 4.676 -4.058 -6.556
73 HG2 PRO 13 1HG PRO 13 4.275 -1.920 -8.555
74 HG3 PRO 13 2HG PRO 13 3.669 -3.582 -8.540
75 HD2 PRO 13 1HD PRO 13 2.081 -1.460 -8.079
76 HD3 PRO 13 2HD PRO 13 1.810 -3.029 -7.291
77 H SER 14 H SER 14 4.237 0.170 -6.508
78 HA SER 14 HA SER 14 6.788 0.857 -5.438
79 HG SER 14 HG SER 14 6.824 1.275 -7.738
80 HB2 SER 14 1HB SER 14 4.732 2.200 -7.056
81 HB3 SER 14 2HB SER 14 5.721 3.271 -6.063
82 H CYS 15 H CYS 15 3.506 1.462 -4.346
83 HA CYS 15 HA CYS 15 4.467 3.102 -2.166
84 HB2 CYS 15 1HB CYS 15 1.676 2.218 -2.919
85 HB3 CYS 15 2HB CYS 15 2.052 3.238 -1.534
86 H ALA 16 H ALA 16 4.713 -0.052 -2.613
87 HA ALA 16 HA ALA 16 4.032 -0.637 0.194
88 HB1 ALA 16 3HB ALA 16 4.187 -2.979 -1.529
89 HB2 ALA 16 1HB ALA 16 2.898 -1.854 -1.965
90 HB3 ALA 16 2HB ALA 16 2.971 -2.516 -0.336
91 HA PRO 17 HA PRO 17 4.334 -2.576 1.351
92 HB2 PRO 17 1HB PRO 17 5.640 -3.736 3.302
93 HB3 PRO 17 2HB PRO 17 5.706 -4.446 1.680
94 HG2 PRO 17 1HG PRO 17 7.720 -2.699 3.060
95 HG3 PRO 17 2HG PRO 17 7.991 -4.206 2.162
96 HD2 PRO 17 1HD PRO 17 8.286 -1.663 1.107
97 HD3 PRO 17 2HD PRO 17 7.996 -3.128 0.149
98 H GLN 18 H GLN 18 5.941 0.168 1.639
99 HA GLN 18 HA GLN 18 6.311 0.882 4.253
100 HB2 GLN 18 1HB GLN 18 5.990 3.108 3.675
101 HB3 GLN 18 2HB GLN 18 6.449 2.382 2.159
102 HG2 GLN 18 1HG GLN 18 4.293 2.570 1.286
103 HG3 GLN 18 2HG GLN 18 3.578 2.786 2.878
104 HE21 GLN 18 1HE2 GLN 18 6.429 4.385 1.578
105 HE22 GLN 18 2HE2 GLN 18 5.768 5.981 1.602
106 H CYS 19 H CYS 19 3.379 0.144 2.674
107 HA CYS 19 HA CYS 19 1.235 -0.148 3.317
108 HB2 CYS 19 1HB CYS 19 2.557 -0.413 6.017
109 HB3 CYS 19 2HB CYS 19 0.885 -0.801 5.684
110 H SER 20 H SER 20 1.737 2.546 2.947
111 HA SER 20 HA SER 20 0.187 3.732 5.163
112 HG SER 20 HG SER 20 3.015 3.633 5.150
113 HB2 SER 20 1HB SER 20 1.773 5.649 3.597
114 HB3 SER 20 2HB SER 20 1.552 5.519 5.342
115 H GLN 21 H GLN 21 -1.665 4.675 4.657
116 HA GLN 21 HA GLN 21 -2.914 4.409 2.229
117 HB2 GLN 21 1HB GLN 21 -4.002 4.919 4.446
118 HB3 GLN 21 2HB GLN 21 -3.538 6.595 4.229
119 HG2 GLN 21 1HG GLN 21 -4.897 5.394 1.964
120 HG3 GLN 21 2HG GLN 21 -5.878 5.514 3.404
121 HE21 GLN 21 1HE2 GLN 21 -3.471 7.941 3.135
122 HE22 GLN 21 2HE2 GLN 21 -4.502 9.209 2.593
123 H GLN 22 H GLN 22 -0.912 7.032 3.367
124 HA GLN 22 HA GLN 22 -1.603 9.034 1.621
125 HB2 GLN 22 1HB GLN 22 1.003 8.387 2.954
126 HB3 GLN 22 2HB GLN 22 0.933 9.673 1.759
127 HG2 GLN 22 1HG GLN 22 -1.226 9.917 3.643
128 HG3 GLN 22 2HG GLN 22 0.329 9.840 4.469
129 HE21 GLN 22 1HE2 GLN 22 -1.375 12.091 4.394
130 HE22 GLN 22 2HE2 GLN 22 -0.544 13.359 3.566
131 H CYS 23 H CYS 23 0.988 6.631 0.990
132 HA CYS 23 HA CYS 23 1.205 7.557 -1.717
133 HB2 CYS 23 1HB CYS 23 3.152 6.697 -0.390
134 HB3 CYS 23 2HB CYS 23 2.460 5.084 -0.511
135 H CYS 24 H CYS 24 0.045 4.554 -0.175
136 HA CYS 24 HA CYS 24 -0.627 3.272 -2.587
137 HB2 CYS 24 1HB CYS 24 -2.015 2.822 0.062
138 HB3 CYS 24 2HB CYS 24 -1.854 1.708 -1.278
139 H GLN 25 H GLN 25 -2.459 5.476 -0.537
140 HA GLN 25 HA GLN 25 -4.779 5.168 -2.255
141 HB2 GLN 25 1HB GLN 25 -4.541 5.509 0.476
142 HB3 GLN 25 2HB GLN 25 -5.105 7.073 -0.107
143 HG2 GLN 25 1HG GLN 25 -6.441 4.691 -1.177
144 HG3 GLN 25 2HG GLN 25 -6.703 5.045 0.528
145 HE21 GLN 25 1HE2 GLN 25 -7.745 6.971 1.108
146 HE22 GLN 25 2HE2 GLN 25 -8.694 7.869 -0.022
147 H GLN 26 H GLN 26 -3.477 8.046 -0.742
148 HA GLN 26 HA GLN 26 -3.036 10.199 -1.603
149 HB2 GLN 26 1HB GLN 26 -2.474 8.365 -3.777
150 HB3 GLN 26 2HB GLN 26 -3.153 9.863 -4.394
151 HG2 GLN 26 1HG GLN 26 -1.429 11.087 -3.049
152 HG3 GLN 26 2HG GLN 26 -0.692 9.523 -2.704
153 HE21 GLN 26 1HE2 GLN 26 0.640 11.595 -4.007
154 HE22 GLN 26 2HE2 GLN 26 0.967 11.107 -5.632
155 HA PRO 27 HA PRO 27 -6.931 11.924 -2.774
156 HB2 PRO 27 1HB PRO 27 -6.429 13.847 -4.609
157 HB3 PRO 27 2HB PRO 27 -5.961 14.008 -2.913
158 HG2 PRO 27 1HG PRO 27 -4.297 13.200 -5.268
159 HG3 PRO 27 2HG PRO 27 -3.897 14.313 -3.946
160 HD2 PRO 27 1HD PRO 27 -3.024 11.754 -4.016
161 HD3 PRO 27 2HD PRO 27 -3.373 12.606 -2.498
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 0.512 -12.045 -1.200
2 H2 GLY 1 2H GLY 1 1.102 -13.622 -1.351
3 H3 GLY 1 3H GLY 1 -0.553 -13.320 -1.519
4 HA2 GLY 1 1HA GLY 1 1.642 -12.711 -3.387
5 HA3 GLY 1 2HA GLY 1 0.139 -13.564 -3.701
6 H SER 2 H SER 2 -1.699 -11.810 -2.594
7 HA SER 2 HA SER 2 -1.459 -9.537 -4.442
8 HG SER 2 HG SER 2 -3.068 -12.111 -4.709
9 HB2 SER 2 1HB SER 2 -3.951 -10.695 -3.171
10 HB3 SER 2 2HB SER 2 -3.898 -9.417 -4.384
11 H SER 3 H SER 3 -0.983 -7.639 -3.571
12 HA SER 3 HA SER 3 -0.907 -5.860 -2.149
13 HG SER 3 HG SER 3 -3.066 -7.309 0.472
14 HB2 SER 3 1HB SER 3 -2.988 -5.384 -1.567
15 HB3 SER 3 2HB SER 3 -3.456 -7.079 -1.652
16 H SER 4 H SER 4 1.053 -6.189 -1.317
17 HA SER 4 HA SER 4 1.598 -8.126 0.721
18 HG SER 4 HG SER 4 4.960 -7.507 0.588
19 HB2 SER 4 1HB SER 4 3.358 -7.108 -0.895
20 HB3 SER 4 2HB SER 4 3.402 -5.760 0.239
21 H CYS 5 H CYS 5 0.256 -5.114 0.813
22 HA CYS 5 HA CYS 5 0.749 -4.847 3.662
23 HB2 CYS 5 1HB CYS 5 0.248 -2.789 1.525
24 HB3 CYS 5 2HB CYS 5 -0.126 -2.433 3.194
25 HA PRO 6 HA PRO 6 -3.554 -6.088 3.831
26 HB2 PRO 6 1HB PRO 6 -3.865 -6.073 6.513
27 HB3 PRO 6 2HB PRO 6 -2.954 -7.323 5.658
28 HG2 PRO 6 1HG PRO 6 -1.941 -4.891 7.086
29 HG3 PRO 6 2HG PRO 6 -1.342 -6.557 7.164
30 HD2 PRO 6 1HD PRO 6 -0.150 -4.677 5.635
31 HD3 PRO 6 2HD PRO 6 -0.219 -6.381 5.154
32 H GLN 7 H GLN 7 -2.506 -2.970 4.926
33 HA GLN 7 HA GLN 7 -4.968 -2.041 5.937
34 HB2 GLN 7 1HB GLN 7 -2.512 -0.602 4.920
35 HB3 GLN 7 2HB GLN 7 -3.869 0.171 5.668
36 HG2 GLN 7 1HG GLN 7 -1.587 -0.726 6.892
37 HG3 GLN 7 2HG GLN 7 -3.057 -0.170 7.681
38 HE21 GLN 7 1HE2 GLN 7 -0.903 -2.340 8.113
39 HE22 GLN 7 2HE2 GLN 7 -1.833 -3.723 8.567
40 H PHE 8 H PHE 8 -3.412 -2.148 2.812
41 HA PHE 8 HA PHE 8 -5.832 -1.043 1.585
42 HD1 PHE 8 HD2 PHE 8 -5.565 1.923 2.261
43 HD2 PHE 8 HD1 PHE 8 -1.738 0.061 2.551
44 HE1 PHE 8 HE2 PHE 8 -5.021 3.289 4.186
45 HE2 PHE 8 HE1 PHE 8 -1.215 1.459 4.472
46 HZ PHE 8 HZ PHE 8 -2.850 3.091 5.305
47 HB2 PHE 8 1HB PHE 8 -3.087 -0.303 0.659
48 HB3 PHE 8 2HB PHE 8 -4.597 0.563 0.388
49 HA PRO 9 HA PRO 9 -4.727 -4.703 -0.865
50 HB2 PRO 9 1HB PRO 9 -6.988 -5.035 -2.255
51 HB3 PRO 9 2HB PRO 9 -6.891 -5.400 -0.530
52 HG2 PRO 9 1HG PRO 9 -8.051 -3.007 -1.894
53 HG3 PRO 9 2HG PRO 9 -8.646 -3.898 -0.486
54 HD2 PRO 9 1HD PRO 9 -7.234 -1.526 -0.334
55 HD3 PRO 9 2HD PRO 9 -7.362 -2.734 0.961
56 H SER 10 H SER 10 -5.319 -1.645 -2.093
57 HA SER 10 HA SER 10 -4.612 -2.454 -4.826
58 HG SER 10 HG SER 10 -5.820 0.516 -6.127
59 HB2 SER 10 1HB SER 10 -6.744 -1.132 -4.390
60 HB3 SER 10 2HB SER 10 -5.698 0.243 -4.040
61 H CYS 11 H CYS 11 -2.812 -1.634 -2.310
62 HA CYS 11 HA CYS 11 -1.481 0.705 -3.034
63 HB2 CYS 11 1HB CYS 11 -1.349 -0.500 -0.805
64 HB3 CYS 11 2HB CYS 11 -0.257 -1.632 -1.578
65 H SER 12 H SER 12 -0.354 1.082 -4.852
66 HA SER 12 HA SER 12 0.583 -0.825 -6.638
67 HG SER 12 HG SER 12 2.363 0.896 -8.392
68 HB2 SER 12 1HB SER 12 0.513 1.342 -7.491
69 HB3 SER 12 2HB SER 12 1.334 2.029 -6.105
70 HA PRO 13 HA PRO 13 4.016 -2.713 -4.634
71 HB2 PRO 13 1HB PRO 13 5.856 -2.521 -6.810
72 HB3 PRO 13 2HB PRO 13 4.873 -3.927 -6.398
73 HG2 PRO 13 1HG PRO 13 4.428 -1.850 -8.453
74 HG3 PRO 13 2HG PRO 13 3.885 -3.535 -8.410
75 HD2 PRO 13 1HD PRO 13 2.210 -1.465 -8.025
76 HD3 PRO 13 2HD PRO 13 1.985 -3.025 -7.205
77 H SER 14 H SER 14 4.275 0.282 -6.456
78 HA SER 14 HA SER 14 6.784 1.091 -5.377
79 HG SER 14 HG SER 14 6.415 2.762 -8.272
80 HB2 SER 14 1HB SER 14 4.692 2.319 -7.038
81 HB3 SER 14 2HB SER 14 5.625 3.449 -6.056
82 H CYS 15 H CYS 15 3.473 1.588 -4.323
83 HA CYS 15 HA CYS 15 4.357 3.296 -2.158
84 HB2 CYS 15 1HB CYS 15 1.604 2.342 -2.958
85 HB3 CYS 15 2HB CYS 15 1.925 3.371 -1.566
86 H ALA 16 H ALA 16 4.792 0.193 -2.504
87 HA ALA 16 HA ALA 16 4.048 -0.384 0.288
88 HB1 ALA 16 3HB ALA 16 4.247 -2.770 -1.346
89 HB2 ALA 16 1HB ALA 16 3.001 -1.660 -1.922
90 HB3 ALA 16 2HB ALA 16 2.957 -2.243 -0.264
91 HA PRO 17 HA PRO 17 4.346 -2.418 1.379
92 HB2 PRO 17 1HB PRO 17 5.627 -3.761 3.205
93 HB3 PRO 17 2HB PRO 17 5.752 -4.298 1.521
94 HG2 PRO 17 1HG PRO 17 7.687 -2.652 3.125
95 HG3 PRO 17 2HG PRO 17 8.021 -4.067 2.106
96 HD2 PRO 17 1HD PRO 17 8.275 -1.426 1.294
97 HD3 PRO 17 2HD PRO 17 8.068 -2.808 0.200
98 H GLN 18 H GLN 18 5.875 0.319 1.916
99 HA GLN 18 HA GLN 18 6.192 0.671 4.648
100 HB2 GLN 18 1HB GLN 18 5.807 3.037 4.228
101 HB3 GLN 18 2HB GLN 18 6.806 2.313 2.994
102 HG2 GLN 18 1HG GLN 18 3.912 2.523 2.464
103 HG3 GLN 18 2HG GLN 18 4.892 3.972 2.394
104 HE21 GLN 18 1HE2 GLN 18 5.307 4.442 0.370
105 HE22 GLN 18 2HE2 GLN 18 5.817 3.325 -0.846
106 H CYS 19 H CYS 19 3.413 0.176 2.813
107 HA CYS 19 HA CYS 19 1.200 -0.007 3.242
108 HB2 CYS 19 1HB CYS 19 2.082 -0.331 6.107
109 HB3 CYS 19 2HB CYS 19 0.561 -0.847 5.407
110 H SER 20 H SER 20 1.840 2.668 2.987
111 HA SER 20 HA SER 20 0.253 3.889 5.161
112 HG SER 20 HG SER 20 3.604 5.161 3.559
113 HB2 SER 20 1HB SER 20 1.326 6.069 4.364
114 HB3 SER 20 2HB SER 20 2.363 4.948 5.248
115 H GLN 21 H GLN 21 -1.667 4.690 4.654
116 HA GLN 21 HA GLN 21 -2.918 4.395 2.235
117 HB2 GLN 21 1HB GLN 21 -4.035 4.851 4.434
118 HB3 GLN 21 2HB GLN 21 -3.594 6.538 4.264
119 HG2 GLN 21 1HG GLN 21 -4.936 5.331 1.979
120 HG3 GLN 21 2HG GLN 21 -5.918 5.494 3.411
121 HE21 GLN 21 1HE2 GLN 21 -3.538 7.909 3.255
122 HE22 GLN 21 2HE2 GLN 21 -4.524 9.167 2.617
123 H GLN 22 H GLN 22 -0.989 7.064 3.375
124 HA GLN 22 HA GLN 22 -1.743 9.063 1.654
125 HB2 GLN 22 1HB GLN 22 0.891 8.462 2.954
126 HB3 GLN 22 2HB GLN 22 0.778 9.758 1.774
127 HG2 GLN 22 1HG GLN 22 -1.350 10.297 3.373
128 HG3 GLN 22 2HG GLN 22 -0.196 9.625 4.523
129 HE21 GLN 22 1HE2 GLN 22 -0.700 12.124 2.115
130 HE22 GLN 22 2HE2 GLN 22 0.496 13.213 2.720
131 H CYS 23 H CYS 23 0.885 6.715 0.980
132 HA CYS 23 HA CYS 23 1.072 7.664 -1.720
133 HB2 CYS 23 1HB CYS 23 3.035 6.820 -0.408
134 HB3 CYS 23 2HB CYS 23 2.365 5.198 -0.535
135 H CYS 24 H CYS 24 -0.045 4.641 -0.186
136 HA CYS 24 HA CYS 24 -0.716 3.353 -2.596
137 HB2 CYS 24 1HB CYS 24 -2.087 2.889 0.059
138 HB3 CYS 24 2HB CYS 24 -1.924 1.776 -1.280
139 H GLN 25 H GLN 25 -2.562 5.543 -0.541
140 HA GLN 25 HA GLN 25 -4.873 5.219 -2.277
141 HB2 GLN 25 1HB GLN 25 -4.644 5.469 0.473
142 HB3 GLN 25 2HB GLN 25 -5.291 7.015 -0.067
143 HG2 GLN 25 1HG GLN 25 -6.510 4.630 -1.240
144 HG3 GLN 25 2HG GLN 25 -6.757 4.843 0.489
145 HE21 GLN 25 1HE2 GLN 25 -8.066 5.445 -2.432
146 HE22 GLN 25 2HE2 GLN 25 -9.023 6.835 -2.059
147 H GLN 26 H GLN 26 -3.685 8.079 -0.631
148 HA GLN 26 HA GLN 26 -3.192 9.532 -3.010
149 HB2 GLN 26 1HB GLN 26 -5.840 9.769 -1.664
150 HB3 GLN 26 2HB GLN 26 -5.108 11.239 -2.287
151 HG2 GLN 26 1HG GLN 26 -4.836 9.401 -4.344
152 HG3 GLN 26 2HG GLN 26 -6.442 9.099 -3.684
153 HE21 GLN 26 1HE2 GLN 26 -4.501 11.157 -5.574
154 HE22 GLN 26 2HE2 GLN 26 -5.696 12.353 -5.927
155 HA PRO 27 HA PRO 27 -0.980 12.217 -0.273
156 HB2 PRO 27 1HB PRO 27 -1.675 14.759 -1.001
157 HB3 PRO 27 2HB PRO 27 -0.561 13.746 -1.925
158 HG2 PRO 27 1HG PRO 27 -3.476 14.254 -2.377
159 HG3 PRO 27 2HG PRO 27 -2.155 14.198 -3.558
160 HD2 PRO 27 1HD PRO 27 -3.825 12.131 -3.220
161 HD3 PRO 27 2HD PRO 27 -2.103 11.885 -3.579
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -0.092 -6.020 -9.729
2 H2 GLY 1 2H GLY 1 -1.350 -4.964 -10.133
3 H3 GLY 1 3H GLY 1 -1.696 -6.450 -9.404
4 HA2 GLY 1 1HA GLY 1 -0.112 -4.309 -8.102
5 HA3 GLY 1 2HA GLY 1 -1.844 -4.506 -7.877
6 H SER 2 H SER 2 0.846 -4.932 -6.279
7 HA SER 2 HA SER 2 0.321 -7.639 -5.303
8 HG SER 2 HG SER 2 3.682 -6.978 -6.121
9 HB2 SER 2 1HB SER 2 2.500 -5.946 -4.165
10 HB3 SER 2 2HB SER 2 2.480 -7.678 -4.500
11 H SER 3 H SER 3 -0.864 -7.982 -3.550
12 HA SER 3 HA SER 3 -1.560 -5.720 -1.843
13 HG SER 3 HG SER 3 -3.593 -8.674 -3.193
14 HB2 SER 3 1HB SER 3 -3.086 -7.648 -0.864
15 HB3 SER 3 2HB SER 3 -3.530 -6.762 -2.320
16 H SER 4 H SER 4 0.900 -6.214 -1.358
17 HA SER 4 HA SER 4 1.308 -8.234 0.674
18 HG SER 4 HG SER 4 4.388 -8.418 0.248
19 HB2 SER 4 1HB SER 4 3.126 -7.287 -0.972
20 HB3 SER 4 2HB SER 4 3.304 -6.046 0.264
21 H CYS 5 H CYS 5 0.100 -5.182 0.758
22 HA CYS 5 HA CYS 5 0.724 -4.846 3.572
23 HB2 CYS 5 1HB CYS 5 0.100 -2.843 1.409
24 HB3 CYS 5 2HB CYS 5 -0.172 -2.450 3.088
25 HA PRO 6 HA PRO 6 -3.575 -6.047 3.976
26 HB2 PRO 6 1HB PRO 6 -3.773 -5.901 6.672
27 HB3 PRO 6 2HB PRO 6 -2.933 -7.208 5.830
28 HG2 PRO 6 1HG PRO 6 -1.800 -4.753 7.117
29 HG3 PRO 6 2HG PRO 6 -1.228 -6.428 7.215
30 HD2 PRO 6 1HD PRO 6 -0.083 -4.612 5.575
31 HD3 PRO 6 2HD PRO 6 -0.196 -6.328 5.153
32 H GLN 7 H GLN 7 -2.466 -2.897 4.982
33 HA GLN 7 HA GLN 7 -4.917 -1.926 5.981
34 HB2 GLN 7 1HB GLN 7 -2.452 -0.531 4.931
35 HB3 GLN 7 2HB GLN 7 -3.799 0.270 5.668
36 HG2 GLN 7 1HG GLN 7 -1.525 -0.624 6.904
37 HG3 GLN 7 2HG GLN 7 -2.988 -0.043 7.685
38 HE21 GLN 7 1HE2 GLN 7 -0.852 -2.218 8.154
39 HE22 GLN 7 2HE2 GLN 7 -1.788 -3.588 8.631
40 H PHE 8 H PHE 8 -3.384 -2.113 2.851
41 HA PHE 8 HA PHE 8 -5.793 -0.981 1.620
42 HD1 PHE 8 HD1 PHE 8 -5.464 2.014 2.175
43 HD2 PHE 8 HD2 PHE 8 -1.690 0.061 2.561
44 HE1 PHE 8 HE1 PHE 8 -4.898 3.437 4.051
45 HE2 PHE 8 HE2 PHE 8 -1.148 1.511 4.442
46 HZ PHE 8 HZ PHE 8 -2.743 3.215 5.201
47 HB2 PHE 8 1HB PHE 8 -3.035 -0.319 0.678
48 HB3 PHE 8 2HB PHE 8 -4.525 0.566 0.369
49 HA PRO 9 HA PRO 9 -4.766 -4.688 -0.803
50 HB2 PRO 9 1HB PRO 9 -7.042 -4.980 -2.187
51 HB3 PRO 9 2HB PRO 9 -6.938 -5.356 -0.465
52 HG2 PRO 9 1HG PRO 9 -8.081 -2.947 -1.811
53 HG3 PRO 9 2HG PRO 9 -8.666 -3.826 -0.393
54 HD2 PRO 9 1HD PRO 9 -7.222 -1.470 -0.273
55 HD3 PRO 9 2HD PRO 9 -7.354 -2.667 1.033
56 H SER 10 H SER 10 -5.326 -1.628 -2.041
57 HA SER 10 HA SER 10 -4.629 -2.436 -4.772
58 HG SER 10 HG SER 10 -5.003 0.302 -6.046
59 HB2 SER 10 1HB SER 10 -6.746 -1.089 -4.332
60 HB3 SER 10 2HB SER 10 -5.682 0.272 -3.975
61 H CYS 11 H CYS 11 -2.818 -1.651 -2.258
62 HA CYS 11 HA CYS 11 -1.458 0.679 -2.945
63 HB2 CYS 11 1HB CYS 11 -1.286 -0.587 -0.750
64 HB3 CYS 11 2HB CYS 11 -0.234 -1.715 -1.575
65 H SER 12 H SER 12 -0.369 1.097 -4.778
66 HA SER 12 HA SER 12 0.462 -0.736 -6.667
67 HG SER 12 HG SER 12 2.719 1.978 -7.802
68 HB2 SER 12 1HB SER 12 0.509 1.453 -7.422
69 HB3 SER 12 2HB SER 12 1.326 2.049 -5.994
70 HA PRO 13 HA PRO 13 3.787 -2.923 -4.814
71 HB2 PRO 13 1HB PRO 13 5.594 -2.765 -7.022
72 HB3 PRO 13 2HB PRO 13 4.534 -4.121 -6.634
73 HG2 PRO 13 1HG PRO 13 4.175 -1.954 -8.608
74 HG3 PRO 13 2HG PRO 13 3.521 -3.600 -8.601
75 HD2 PRO 13 1HD PRO 13 2.002 -1.434 -8.109
76 HD3 PRO 13 2HD PRO 13 1.689 -3.003 -7.337
77 H SER 14 H SER 14 4.226 0.110 -6.536
78 HA SER 14 HA SER 14 6.796 0.703 -5.454
79 HG SER 14 HG SER 14 5.631 4.146 -6.509
80 HB2 SER 14 1HB SER 14 6.401 1.945 -7.352
81 HB3 SER 14 2HB SER 14 4.716 2.245 -6.934
82 H CYS 15 H CYS 15 3.540 1.437 -4.376
83 HA CYS 15 HA CYS 15 4.525 3.080 -2.225
84 HB2 CYS 15 1HB CYS 15 1.728 2.144 -2.889
85 HB3 CYS 15 2HB CYS 15 2.127 3.224 -1.559
86 H ALA 16 H ALA 16 4.634 -0.157 -2.645
87 HA ALA 16 HA ALA 16 4.032 -0.669 0.196
88 HB1 ALA 16 3HB ALA 16 3.425 -2.860 -0.340
89 HB2 ALA 16 1HB ALA 16 4.204 -2.770 -1.915
90 HB3 ALA 16 2HB ALA 16 2.712 -1.876 -1.614
91 HA PRO 17 HA PRO 17 4.411 -2.525 1.448
92 HB2 PRO 17 1HB PRO 17 5.756 -3.658 3.374
93 HB3 PRO 17 2HB PRO 17 5.843 -4.368 1.753
94 HG2 PRO 17 1HG PRO 17 7.801 -2.549 3.124
95 HG3 PRO 17 2HG PRO 17 8.123 -4.057 2.242
96 HD2 PRO 17 1HD PRO 17 8.332 -1.514 1.160
97 HD3 PRO 17 2HD PRO 17 8.100 -2.999 0.218
98 H GLN 18 H GLN 18 5.924 0.241 1.642
99 HA GLN 18 HA GLN 18 6.301 0.938 4.296
100 HB2 GLN 18 1HB GLN 18 6.102 3.165 3.693
101 HB3 GLN 18 2HB GLN 18 6.563 2.424 2.183
102 HG2 GLN 18 1HG GLN 18 4.388 2.666 1.300
103 HG3 GLN 18 2HG GLN 18 3.711 3.016 2.885
104 HE21 GLN 18 1HE2 GLN 18 5.183 4.918 3.922
105 HE22 GLN 18 2HE2 GLN 18 5.230 6.326 2.921
106 H CYS 19 H CYS 19 3.447 0.284 2.558
107 HA CYS 19 HA CYS 19 1.270 0.018 3.066
108 HB2 CYS 19 1HB CYS 19 2.340 -0.330 5.867
109 HB3 CYS 19 2HB CYS 19 0.746 -0.792 5.310
110 H SER 20 H SER 20 1.795 2.723 2.828
111 HA SER 20 HA SER 20 0.193 3.850 5.039
112 HG SER 20 HG SER 20 2.897 6.183 3.122
113 HB2 SER 20 1HB SER 20 1.248 6.045 4.531
114 HB3 SER 20 2HB SER 20 2.410 4.846 5.097
115 H GLN 21 H GLN 21 -1.701 4.783 4.530
116 HA GLN 21 HA GLN 21 -2.943 4.464 2.110
117 HB2 GLN 21 1HB GLN 21 -4.041 5.014 4.311
118 HB3 GLN 21 2HB GLN 21 -3.584 6.687 4.063
119 HG2 GLN 21 1HG GLN 21 -4.933 5.444 1.814
120 HG3 GLN 21 2HG GLN 21 -5.918 5.576 3.250
121 HE21 GLN 21 1HE2 GLN 21 -3.527 8.013 2.953
122 HE22 GLN 21 2HE2 GLN 21 -4.564 9.268 2.394
123 H GLN 22 H GLN 22 -0.962 7.131 3.193
124 HA GLN 22 HA GLN 22 -1.664 9.081 1.399
125 HB2 GLN 22 1HB GLN 22 0.962 8.477 2.722
126 HB3 GLN 22 2HB GLN 22 0.843 9.770 1.538
127 HG2 GLN 22 1HG GLN 22 0.083 11.124 3.098
128 HG3 GLN 22 2HG GLN 22 -1.315 10.075 3.331
129 HE21 GLN 22 1HE2 GLN 22 2.068 10.476 4.276
130 HE22 GLN 22 2HE2 GLN 22 1.885 9.829 5.866
131 H CYS 23 H CYS 23 0.926 6.667 0.819
132 HA CYS 23 HA CYS 23 1.135 7.541 -1.911
133 HB2 CYS 23 1HB CYS 23 3.096 6.741 -0.568
134 HB3 CYS 23 2HB CYS 23 2.423 5.118 -0.643
135 H CYS 24 H CYS 24 0.004 4.586 -0.283
136 HA CYS 24 HA CYS 24 -0.643 3.210 -2.651
137 HB2 CYS 24 1HB CYS 24 -2.007 2.829 0.017
138 HB3 CYS 24 2HB CYS 24 -1.843 1.675 -1.288
139 H GLN 25 H GLN 25 -2.533 5.463 -0.691
140 HA GLN 25 HA GLN 25 -4.894 4.924 -2.250
141 HB2 GLN 25 1HB GLN 25 -4.575 5.659 0.347
142 HB3 GLN 25 2HB GLN 25 -5.026 7.187 -0.413
143 HG2 GLN 25 1HG GLN 25 -6.608 4.863 -1.191
144 HG3 GLN 25 2HG GLN 25 -6.738 5.334 0.499
145 HE21 GLN 25 1HE2 GLN 25 -7.402 6.210 -2.780
146 HE22 GLN 25 2HE2 GLN 25 -8.408 7.572 -2.439
147 H GLN 26 H GLN 26 -3.509 8.032 -1.407
148 HA GLN 26 HA GLN 26 -4.339 9.016 -4.024
149 HB2 GLN 26 1HB GLN 26 -4.272 11.223 -3.106
150 HB3 GLN 26 2HB GLN 26 -5.070 10.198 -1.930
151 HG2 GLN 26 1HG GLN 26 -2.171 10.465 -1.565
152 HG3 GLN 26 2HG GLN 26 -3.095 11.950 -1.357
153 HE21 GLN 26 1HE2 GLN 26 -3.717 12.315 0.634
154 HE22 GLN 26 2HE2 GLN 26 -4.068 11.123 1.834
155 HA PRO 27 HA PRO 27 -0.193 9.555 -5.480
156 HB2 PRO 27 1HB PRO 27 -0.080 12.000 -6.600
157 HB3 PRO 27 2HB PRO 27 -1.055 10.698 -7.291
158 HG2 PRO 27 1HG PRO 27 -1.908 12.995 -5.570
159 HG3 PRO 27 2HG PRO 27 -2.684 12.338 -7.024
160 HD2 PRO 27 1HD PRO 27 -3.510 11.755 -4.502
161 HD3 PRO 27 2HD PRO 27 -3.697 10.638 -5.868
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 3.088 -11.612 -2.845
2 H2 GLY 1 2H GLY 1 2.769 -12.301 -4.356
3 H3 GLY 1 3H GLY 1 3.112 -13.294 -3.031
4 HA2 GLY 1 1HA GLY 1 0.745 -13.303 -3.527
5 HA3 GLY 1 2HA GLY 1 1.083 -12.638 -1.936
6 H SER 2 H SER 2 -1.301 -12.147 -3.290
7 HA SER 2 HA SER 2 -1.212 -9.638 -4.657
8 HG SER 2 HG SER 2 -2.328 -11.924 -5.452
9 HB2 SER 2 1HB SER 2 -3.724 -10.616 -3.367
10 HB3 SER 2 2HB SER 2 -3.487 -9.886 -4.956
11 H SER 3 H SER 3 -0.771 -7.775 -3.697
12 HA SER 3 HA SER 3 -0.793 -6.038 -2.221
13 HG SER 3 HG SER 3 -2.382 -5.976 0.437
14 HB2 SER 3 1HB SER 3 -2.908 -5.632 -1.712
15 HB3 SER 3 2HB SER 3 -3.328 -7.333 -1.865
16 H SER 4 H SER 4 1.146 -6.359 -1.334
17 HA SER 4 HA SER 4 1.597 -8.307 0.746
18 HG SER 4 HG SER 4 3.824 -8.796 0.875
19 HB2 SER 4 1HB SER 4 3.403 -7.349 -0.888
20 HB3 SER 4 2HB SER 4 3.508 -6.040 0.284
21 H CYS 5 H CYS 5 0.293 -5.294 0.757
22 HA CYS 5 HA CYS 5 0.844 -4.902 3.581
23 HB2 CYS 5 1HB CYS 5 0.255 -2.946 1.366
24 HB3 CYS 5 2HB CYS 5 -0.074 -2.519 3.023
25 HA PRO 6 HA PRO 6 -3.455 -6.176 3.887
26 HB2 PRO 6 1HB PRO 6 -3.689 -6.129 6.570
27 HB3 PRO 6 2HB PRO 6 -2.763 -7.370 5.718
28 HG2 PRO 6 1HG PRO 6 -1.780 -4.871 7.064
29 HG3 PRO 6 2HG PRO 6 -1.146 -6.524 7.187
30 HD2 PRO 6 1HD PRO 6 -0.014 -4.685 5.572
31 HD3 PRO 6 2HD PRO 6 -0.071 -6.401 5.146
32 H GLN 7 H GLN 7 -2.378 -3.063 4.769
33 HA GLN 7 HA GLN 7 -4.784 -2.067 5.901
34 HB2 GLN 7 1HB GLN 7 -2.245 -0.779 4.900
35 HB3 GLN 7 2HB GLN 7 -3.639 0.159 5.312
36 HG2 GLN 7 1HG GLN 7 -3.053 -1.626 7.456
37 HG3 GLN 7 2HG GLN 7 -1.615 -0.714 6.987
38 HE21 GLN 7 1HE2 GLN 7 -1.403 1.295 7.687
39 HE22 GLN 7 2HE2 GLN 7 -2.634 2.219 8.471
40 H PHE 8 H PHE 8 -3.327 -2.203 2.722
41 HA PHE 8 HA PHE 8 -5.774 -1.092 1.561
42 HD1 PHE 8 HD1 PHE 8 -5.481 1.904 2.179
43 HD2 PHE 8 HD2 PHE 8 -1.686 -0.029 2.541
44 HE1 PHE 8 HE1 PHE 8 -4.934 3.291 4.093
45 HE2 PHE 8 HE2 PHE 8 -1.165 1.383 4.452
46 HZ PHE 8 HZ PHE 8 -2.780 3.058 5.245
47 HB2 PHE 8 1HB PHE 8 -3.040 -0.345 0.606
48 HB3 PHE 8 2HB PHE 8 -4.551 0.520 0.348
49 HA PRO 9 HA PRO 9 -4.717 -4.720 -0.966
50 HB2 PRO 9 1HB PRO 9 -6.999 -5.007 -2.341
51 HB3 PRO 9 2HB PRO 9 -6.877 -5.427 -0.631
52 HG2 PRO 9 1HG PRO 9 -8.063 -2.999 -1.902
53 HG3 PRO 9 2HG PRO 9 -8.626 -3.925 -0.505
54 HD2 PRO 9 1HD PRO 9 -7.213 -1.554 -0.327
55 HD3 PRO 9 2HD PRO 9 -7.316 -2.790 0.943
56 H SER 10 H SER 10 -5.330 -1.637 -2.118
57 HA SER 10 HA SER 10 -4.646 -2.369 -4.874
58 HG SER 10 HG SER 10 -6.536 -0.500 -6.382
59 HB2 SER 10 1HB SER 10 -6.767 -1.047 -4.380
60 HB3 SER 10 2HB SER 10 -5.707 0.312 -4.003
61 H CYS 11 H CYS 11 -2.820 -1.637 -2.354
62 HA CYS 11 HA CYS 11 -1.472 0.714 -3.017
63 HB2 CYS 11 1HB CYS 11 -1.300 -0.562 -0.830
64 HB3 CYS 11 2HB CYS 11 -0.246 -1.686 -1.657
65 H SER 12 H SER 12 -0.379 1.143 -4.848
66 HA SER 12 HA SER 12 0.448 -0.680 -6.746
67 HG SER 12 HG SER 12 2.794 2.060 -7.731
68 HB2 SER 12 1HB SER 12 0.511 1.515 -7.484
69 HB3 SER 12 2HB SER 12 1.329 2.095 -6.049
70 HA PRO 13 HA PRO 13 3.752 -2.899 -4.889
71 HB2 PRO 13 1HB PRO 13 5.566 -2.750 -7.093
72 HB3 PRO 13 2HB PRO 13 4.496 -4.099 -6.709
73 HG2 PRO 13 1HG PRO 13 4.157 -1.926 -8.680
74 HG3 PRO 13 2HG PRO 13 3.492 -3.566 -8.679
75 HD2 PRO 13 1HD PRO 13 1.986 -1.391 -8.186
76 HD3 PRO 13 2HD PRO 13 1.660 -2.958 -7.418
77 H SER 14 H SER 14 4.217 0.136 -6.603
78 HA SER 14 HA SER 14 6.784 0.704 -5.508
79 HG SER 14 HG SER 14 6.704 1.187 -7.975
80 HB2 SER 14 1HB SER 14 4.798 2.155 -7.126
81 HB3 SER 14 2HB SER 14 5.846 3.166 -6.130
82 H CYS 15 H CYS 15 3.530 1.450 -4.428
83 HA CYS 15 HA CYS 15 4.537 3.082 -2.277
84 HB2 CYS 15 1HB CYS 15 1.733 2.184 -2.958
85 HB3 CYS 15 2HB CYS 15 2.134 3.210 -1.585
86 H ALA 16 H ALA 16 4.608 -0.158 -2.711
87 HA ALA 16 HA ALA 16 4.027 -0.671 0.132
88 HB1 ALA 16 3HB ALA 16 3.425 -2.863 -0.400
89 HB2 ALA 16 1HB ALA 16 4.202 -2.773 -1.976
90 HB3 ALA 16 2HB ALA 16 2.708 -1.885 -1.675
91 HA PRO 17 HA PRO 17 4.434 -2.541 1.373
92 HB2 PRO 17 1HB PRO 17 5.799 -3.668 3.288
93 HB3 PRO 17 2HB PRO 17 5.889 -4.367 1.662
94 HG2 PRO 17 1HG PRO 17 7.828 -2.530 3.037
95 HG3 PRO 17 2HG PRO 17 8.166 -4.030 2.147
96 HD2 PRO 17 1HD PRO 17 8.338 -1.477 1.078
97 HD3 PRO 17 2HD PRO 17 8.121 -2.960 0.128
98 H GLN 18 H GLN 18 5.907 0.247 1.584
99 HA GLN 18 HA GLN 18 6.303 0.938 4.229
100 HB2 GLN 18 1HB GLN 18 5.999 3.166 3.658
101 HB3 GLN 18 2HB GLN 18 6.478 2.453 2.142
102 HG2 GLN 18 1HG GLN 18 4.394 2.739 1.203
103 HG3 GLN 18 2HG GLN 18 3.583 2.784 2.764
104 HE21 GLN 18 1HE2 GLN 18 4.912 4.677 4.129
105 HE22 GLN 18 2HE2 GLN 18 4.782 6.206 3.336
106 H CYS 19 H CYS 19 3.424 0.199 2.565
107 HA CYS 19 HA CYS 19 1.271 -0.126 3.131
108 HB2 CYS 19 1HB CYS 19 2.444 -0.449 5.896
109 HB3 CYS 19 2HB CYS 19 0.835 -0.928 5.406
110 H SER 20 H SER 20 1.740 2.575 2.871
111 HA SER 20 HA SER 20 0.109 3.671 5.079
112 HG SER 20 HG SER 20 3.197 3.726 4.313
113 HB2 SER 20 1HB SER 20 1.883 5.550 3.570
114 HB3 SER 20 2HB SER 20 1.304 5.625 5.232
115 H GLN 21 H GLN 21 -1.731 4.638 4.559
116 HA GLN 21 HA GLN 21 -2.930 4.393 2.107
117 HB2 GLN 21 1HB GLN 21 -4.042 4.904 4.322
118 HB3 GLN 21 2HB GLN 21 -3.601 6.586 4.072
119 HG2 GLN 21 1HG GLN 21 -4.918 5.304 1.825
120 HG3 GLN 21 2HG GLN 21 -5.918 5.479 3.249
121 HE21 GLN 21 1HE2 GLN 21 -6.982 7.316 3.437
122 HE22 GLN 21 2HE2 GLN 21 -6.577 8.809 2.668
123 H GLN 22 H GLN 22 -0.929 6.986 3.276
124 HA GLN 22 HA GLN 22 -1.594 9.015 1.550
125 HB2 GLN 22 1HB GLN 22 1.005 8.330 2.884
126 HB3 GLN 22 2HB GLN 22 0.931 9.651 1.728
127 HG2 GLN 22 1HG GLN 22 0.368 10.918 3.456
128 HG3 GLN 22 2HG GLN 22 -1.219 10.159 3.340
129 HE21 GLN 22 1HE2 GLN 22 1.942 9.095 4.553
130 HE22 GLN 22 2HE2 GLN 22 1.376 8.621 6.115
131 H CYS 23 H CYS 23 0.986 6.601 0.909
132 HA CYS 23 HA CYS 23 1.221 7.554 -1.792
133 HB2 CYS 23 1HB CYS 23 3.161 6.678 -0.464
134 HB3 CYS 23 2HB CYS 23 2.464 5.070 -0.596
135 H CYS 24 H CYS 24 0.037 4.571 -0.255
136 HA CYS 24 HA CYS 24 -0.624 3.266 -2.657
137 HB2 CYS 24 1HB CYS 24 -2.005 2.848 -0.002
138 HB3 CYS 24 2HB CYS 24 -1.852 1.717 -1.327
139 H GLN 25 H GLN 25 -2.471 5.507 -0.651
140 HA GLN 25 HA GLN 25 -4.760 5.160 -2.418
141 HB2 GLN 25 1HB GLN 25 -4.565 5.396 0.339
142 HB3 GLN 25 2HB GLN 25 -5.243 6.926 -0.204
143 HG2 GLN 25 1HG GLN 25 -6.445 4.639 -1.497
144 HG3 GLN 25 2HG GLN 25 -6.590 4.584 0.256
145 HE21 GLN 25 1HE2 GLN 25 -8.418 5.212 -2.156
146 HE22 GLN 25 2HE2 GLN 25 -9.270 6.624 -1.642
147 H GLN 26 H GLN 26 -3.649 8.021 -0.716
148 HA GLN 26 HA GLN 26 -3.274 9.488 -3.149
149 HB2 GLN 26 1HB GLN 26 -5.532 10.271 -1.291
150 HB3 GLN 26 2HB GLN 26 -5.010 11.173 -2.704
151 HG2 GLN 26 1HG GLN 26 -5.609 9.189 -4.094
152 HG3 GLN 26 2HG GLN 26 -6.306 8.464 -2.647
153 HE21 GLN 26 1HE2 GLN 26 -7.614 9.189 -5.126
154 HE22 GLN 26 2HE2 GLN 26 -8.852 10.321 -4.714
155 HA PRO 27 HA PRO 27 -0.614 11.909 -0.550
156 HB2 PRO 27 1HB PRO 27 -0.972 14.477 -1.375
157 HB3 PRO 27 2HB PRO 27 -0.073 13.277 -2.312
158 HG2 PRO 27 1HG PRO 27 -2.909 14.186 -2.625
159 HG3 PRO 27 2HG PRO 27 -1.678 13.912 -3.872
160 HD2 PRO 27 1HD PRO 27 -3.600 12.111 -3.356
161 HD3 PRO 27 2HD PRO 27 -1.957 11.622 -3.826
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -0.404 -12.608 -1.796
2 H2 GLY 1 2H GLY 1 0.338 -13.952 -2.505
3 H3 GLY 1 3H GLY 1 -1.250 -14.066 -1.937
4 HA2 GLY 1 1HA GLY 1 -0.622 -13.645 -4.492
5 HA3 GLY 1 2HA GLY 1 -2.140 -13.151 -3.758
6 H SER 2 H SER 2 -2.693 -11.112 -4.097
7 HA SER 2 HA SER 2 -0.615 -9.206 -4.894
8 HG SER 2 HG SER 2 -2.716 -7.538 -6.958
9 HB2 SER 2 1HB SER 2 -2.706 -9.634 -6.314
10 HB3 SER 2 2HB SER 2 -3.594 -8.760 -5.066
11 H SER 3 H SER 3 -0.647 -7.039 -4.054
12 HA SER 3 HA SER 3 -0.713 -5.474 -2.398
13 HG SER 3 HG SER 3 -3.833 -6.497 -0.236
14 HB2 SER 3 1HB SER 3 -2.841 -5.062 -1.962
15 HB3 SER 3 2HB SER 3 -3.294 -6.723 -2.326
16 H SER 4 H SER 4 1.167 -5.952 -1.453
17 HA SER 4 HA SER 4 1.430 -8.118 0.448
18 HG SER 4 HG SER 4 4.810 -7.896 0.422
19 HB2 SER 4 1HB SER 4 3.348 -7.091 -1.022
20 HB3 SER 4 2HB SER 4 3.468 -5.928 0.295
21 H CYS 5 H CYS 5 0.238 -5.077 0.684
22 HA CYS 5 HA CYS 5 0.730 -4.927 3.539
23 HB2 CYS 5 1HB CYS 5 0.237 -2.786 1.480
24 HB3 CYS 5 2HB CYS 5 -0.118 -2.491 3.164
25 HA PRO 6 HA PRO 6 -3.594 -6.102 3.672
26 HB2 PRO 6 1HB PRO 6 -3.902 -6.180 6.355
27 HB3 PRO 6 2HB PRO 6 -3.013 -7.412 5.452
28 HG2 PRO 6 1HG PRO 6 -1.957 -5.050 6.964
29 HG3 PRO 6 2HG PRO 6 -1.385 -6.728 6.982
30 HD2 PRO 6 1HD PRO 6 -0.163 -4.819 5.518
31 HD3 PRO 6 2HD PRO 6 -0.265 -6.501 4.977
32 H GLN 7 H GLN 7 -2.493 -3.048 4.893
33 HA GLN 7 HA GLN 7 -4.929 -2.107 5.943
34 HB2 GLN 7 1HB GLN 7 -2.466 -0.674 4.935
35 HB3 GLN 7 2HB GLN 7 -3.797 0.091 5.735
36 HG2 GLN 7 1HG GLN 7 -1.509 -0.849 6.890
37 HG3 GLN 7 2HG GLN 7 -2.973 -0.346 7.725
38 HE21 GLN 7 1HE2 GLN 7 -0.793 -2.501 8.042
39 HE22 GLN 7 2HE2 GLN 7 -1.698 -3.918 8.440
40 H PHE 8 H PHE 8 -3.410 -2.166 2.804
41 HA PHE 8 HA PHE 8 -5.811 -0.964 1.627
42 HD1 PHE 8 HD1 PHE 8 -5.446 1.992 2.308
43 HD2 PHE 8 HD2 PHE 8 -1.685 0.002 2.580
44 HE1 PHE 8 HE1 PHE 8 -4.853 3.334 4.238
45 HE2 PHE 8 HE2 PHE 8 -1.106 1.373 4.511
46 HZ PHE 8 HZ PHE 8 -2.687 3.054 5.355
47 HB2 PHE 8 1HB PHE 8 -3.047 -0.302 0.695
48 HB3 PHE 8 2HB PHE 8 -4.527 0.613 0.429
49 HA PRO 9 HA PRO 9 -4.851 -4.614 -0.902
50 HB2 PRO 9 1HB PRO 9 -7.131 -4.829 -2.291
51 HB3 PRO 9 2HB PRO 9 -7.034 -5.251 -0.580
52 HG2 PRO 9 1HG PRO 9 -8.132 -2.786 -1.861
53 HG3 PRO 9 2HG PRO 9 -8.734 -3.693 -0.468
54 HD2 PRO 9 1HD PRO 9 -7.248 -1.369 -0.281
55 HD3 PRO 9 2HD PRO 9 -7.401 -2.601 0.989
56 H SER 10 H SER 10 -5.357 -1.514 -2.063
57 HA SER 10 HA SER 10 -4.682 -2.276 -4.815
58 HG SER 10 HG SER 10 -5.840 0.764 -6.037
59 HB2 SER 10 1HB SER 10 -6.762 -0.887 -4.339
60 HB3 SER 10 2HB SER 10 -5.666 0.438 -3.952
61 H CYS 11 H CYS 11 -2.848 -1.595 -2.286
62 HA CYS 11 HA CYS 11 -1.428 0.713 -2.939
63 HB2 CYS 11 1HB CYS 11 -1.317 -0.578 -0.754
64 HB3 CYS 11 2HB CYS 11 -0.279 -1.720 -1.580
65 H SER 12 H SER 12 -0.310 1.115 -4.754
66 HA SER 12 HA SER 12 0.527 -0.756 -6.624
67 HG SER 12 HG SER 12 2.838 1.987 -7.665
68 HB2 SER 12 1HB SER 12 0.532 1.437 -7.401
69 HB3 SER 12 2HB SER 12 1.385 2.047 -5.999
70 HA PRO 13 HA PRO 13 3.906 -2.852 -4.742
71 HB2 PRO 13 1HB PRO 13 5.719 -2.659 -6.939
72 HB3 PRO 13 2HB PRO 13 4.685 -4.038 -6.558
73 HG2 PRO 13 1HG PRO 13 4.297 -1.874 -8.534
74 HG3 PRO 13 2HG PRO 13 3.684 -3.535 -8.540
75 HD2 PRO 13 1HD PRO 13 2.104 -1.412 -8.058
76 HD3 PRO 13 2HD PRO 13 1.826 -2.989 -7.288
77 H SER 14 H SER 14 4.265 0.192 -6.463
78 HA SER 14 HA SER 14 6.824 0.861 -5.401
79 HG SER 14 HG SER 14 3.786 2.557 -5.996
80 HB2 SER 14 1HB SER 14 6.555 2.953 -6.419
81 HB3 SER 14 2HB SER 14 5.590 1.878 -7.431
82 H CYS 15 H CYS 15 3.552 1.482 -4.300
83 HA CYS 15 HA CYS 15 4.515 3.074 -2.086
84 HB2 CYS 15 1HB CYS 15 1.718 2.209 -2.839
85 HB3 CYS 15 2HB CYS 15 2.112 3.253 -1.476
86 H ALA 16 H ALA 16 4.769 -0.067 -2.565
87 HA ALA 16 HA ALA 16 4.061 -0.689 0.228
88 HB1 ALA 16 3HB ALA 16 4.170 -3.004 -1.532
89 HB2 ALA 16 1HB ALA 16 2.904 -1.847 -1.953
90 HB3 ALA 16 2HB ALA 16 2.962 -2.536 -0.334
91 HA PRO 17 HA PRO 17 4.326 -2.644 1.361
92 HB2 PRO 17 1HB PRO 17 5.616 -3.829 3.312
93 HB3 PRO 17 2HB PRO 17 5.658 -4.542 1.691
94 HG2 PRO 17 1HG PRO 17 7.718 -2.841 3.062
95 HG3 PRO 17 2HG PRO 17 7.950 -4.352 2.158
96 HD2 PRO 17 1HD PRO 17 8.300 -1.814 1.108
97 HD3 PRO 17 2HD PRO 17 7.968 -3.268 0.147
98 H GLN 18 H GLN 18 5.998 0.063 1.660
99 HA GLN 18 HA GLN 18 6.366 0.762 4.279
100 HB2 GLN 18 1HB GLN 18 6.112 2.996 3.699
101 HB3 GLN 18 2HB GLN 18 6.584 2.253 2.194
102 HG2 GLN 18 1HG GLN 18 4.410 2.455 1.304
103 HG3 GLN 18 2HG GLN 18 3.724 2.806 2.885
104 HE21 GLN 18 1HE2 GLN 18 4.368 4.163 0.060
105 HE22 GLN 18 2HE2 GLN 18 4.705 5.787 0.543
106 H CYS 19 H CYS 19 3.428 0.114 2.674
107 HA CYS 19 HA CYS 19 1.271 -0.128 3.296
108 HB2 CYS 19 1HB CYS 19 2.547 -0.437 6.011
109 HB3 CYS 19 2HB CYS 19 0.878 -0.804 5.641
110 H SER 20 H SER 20 1.809 2.579 2.968
111 HA SER 20 HA SER 20 0.267 3.745 5.198
112 HG SER 20 HG SER 20 3.199 5.900 3.379
113 HB2 SER 20 1HB SER 20 1.356 5.914 4.698
114 HB3 SER 20 2HB SER 20 2.506 4.693 5.240
115 H GLN 21 H GLN 21 -1.618 4.660 4.697
116 HA GLN 21 HA GLN 21 -2.876 4.397 2.278
117 HB2 GLN 21 1HB GLN 21 -3.958 4.909 4.491
118 HB3 GLN 21 2HB GLN 21 -3.479 6.582 4.286
119 HG2 GLN 21 1HG GLN 21 -4.856 5.419 2.012
120 HG3 GLN 21 2HG GLN 21 -5.831 5.523 3.456
121 HE21 GLN 21 1HE2 GLN 21 -3.405 7.938 3.190
122 HE22 GLN 21 2HE2 GLN 21 -4.435 9.220 2.681
123 H GLN 22 H GLN 22 -0.858 7.017 3.388
124 HA GLN 22 HA GLN 22 -1.568 9.017 1.640
125 HB2 GLN 22 1HB GLN 22 1.028 8.388 2.991
126 HB3 GLN 22 2HB GLN 22 0.991 9.631 1.751
127 HG2 GLN 22 1HG GLN 22 -1.096 9.793 3.828
128 HG3 GLN 22 2HG GLN 22 0.561 10.119 4.337
129 HE21 GLN 22 1HE2 GLN 22 -0.558 12.242 4.742
130 HE22 GLN 22 2HE2 GLN 22 -0.532 13.395 3.455
131 H CYS 23 H CYS 23 1.042 6.639 1.007
132 HA CYS 23 HA CYS 23 1.241 7.552 -1.704
133 HB2 CYS 23 1HB CYS 23 3.193 6.700 -0.382
134 HB3 CYS 23 2HB CYS 23 2.506 5.085 -0.498
135 H CYS 24 H CYS 24 0.087 4.551 -0.154
136 HA CYS 24 HA CYS 24 -0.588 3.265 -2.565
137 HB2 CYS 24 1HB CYS 24 -1.972 2.814 0.085
138 HB3 CYS 24 2HB CYS 24 -1.814 1.704 -1.256
139 H GLN 25 H GLN 25 -2.418 5.468 -0.509
140 HA GLN 25 HA GLN 25 -4.732 5.170 -2.239
141 HB2 GLN 25 1HB GLN 25 -4.501 5.477 0.501
142 HB3 GLN 25 2HB GLN 25 -5.091 7.035 -0.070
143 HG2 GLN 25 1HG GLN 25 -6.339 4.517 -1.013
144 HG3 GLN 25 2HG GLN 25 -6.733 5.151 0.582
145 HE21 GLN 25 1HE2 GLN 25 -8.198 6.731 0.743
146 HE22 GLN 25 2HE2 GLN 25 -8.909 7.568 -0.590
147 H GLN 26 H GLN 26 -3.449 8.035 -0.677
148 HA GLN 26 HA GLN 26 -2.977 10.193 -1.529
149 HB2 GLN 26 1HB GLN 26 -2.295 8.392 -3.606
150 HB3 GLN 26 2HB GLN 26 -3.204 9.696 -4.352
151 HG2 GLN 26 1HG GLN 26 -1.652 11.298 -3.761
152 HG3 GLN 26 2HG GLN 26 -0.994 10.321 -2.448
153 HE21 GLN 26 1HE2 GLN 26 -1.267 10.486 -5.964
154 HE22 GLN 26 2HE2 GLN 26 0.239 9.707 -6.297
155 HA PRO 27 HA PRO 27 -7.499 10.507 -2.719
156 HB2 PRO 27 1HB PRO 27 -8.622 11.128 -0.374
157 HB3 PRO 27 2HB PRO 27 -8.271 9.451 -0.807
158 HG2 PRO 27 1HG PRO 27 -6.770 11.298 0.997
159 HG3 PRO 27 2HG PRO 27 -7.107 9.570 1.191
160 HD2 PRO 27 1HD PRO 27 -4.726 10.629 0.260
161 HD3 PRO 27 2HD PRO 27 -5.277 8.968 -0.025
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -0.454 -6.153 -10.064
2 H2 GLY 1 2H GLY 1 1.117 -5.805 -9.540
3 H3 GLY 1 3H GLY 1 0.176 -4.592 -10.250
4 HA2 GLY 1 1HA GLY 1 0.090 -4.132 -7.974
5 HA3 GLY 1 2HA GLY 1 -1.443 -4.895 -8.367
6 H SER 2 H SER 2 0.808 -4.791 -6.068
7 HA SER 2 HA SER 2 0.464 -7.629 -5.351
8 HG SER 2 HG SER 2 3.667 -8.090 -4.290
9 HB2 SER 2 1HB SER 2 2.858 -6.442 -5.784
10 HB3 SER 2 2HB SER 2 2.658 -6.112 -4.063
11 H SER 3 H SER 3 -0.674 -8.021 -3.571
12 HA SER 3 HA SER 3 -1.410 -5.778 -1.857
13 HG SER 3 HG SER 3 -3.043 -8.617 -3.460
14 HB2 SER 3 1HB SER 3 -2.879 -7.741 -0.863
15 HB3 SER 3 2HB SER 3 -3.355 -6.871 -2.319
16 H SER 4 H SER 4 1.074 -6.225 -1.395
17 HA SER 4 HA SER 4 1.558 -8.227 0.624
18 HG SER 4 HG SER 4 4.700 -8.191 0.271
19 HB2 SER 4 1HB SER 4 3.348 -7.210 -0.991
20 HB3 SER 4 2HB SER 4 3.449 -5.932 0.218
21 H CYS 5 H CYS 5 0.262 -5.200 0.727
22 HA CYS 5 HA CYS 5 0.793 -4.919 3.564
23 HB2 CYS 5 1HB CYS 5 0.263 -2.875 1.416
24 HB3 CYS 5 2HB CYS 5 -0.079 -2.502 3.085
25 HA PRO 6 HA PRO 6 -3.515 -6.161 3.799
26 HB2 PRO 6 1HB PRO 6 -3.784 -6.141 6.485
27 HB3 PRO 6 2HB PRO 6 -2.876 -7.389 5.623
28 HG2 PRO 6 1HG PRO 6 -1.859 -4.937 7.023
29 HG3 PRO 6 2HG PRO 6 -1.252 -6.602 7.111
30 HD2 PRO 6 1HD PRO 6 -0.081 -4.740 5.549
31 HD3 PRO 6 2HD PRO 6 -0.158 -6.446 5.082
32 H GLN 7 H GLN 7 -2.431 -3.068 4.750
33 HA GLN 7 HA GLN 7 -4.846 -2.067 5.856
34 HB2 GLN 7 1HB GLN 7 -2.293 -0.787 4.880
35 HB3 GLN 7 2HB GLN 7 -3.691 0.159 5.264
36 HG2 GLN 7 1HG GLN 7 -3.118 -1.628 7.422
37 HG3 GLN 7 2HG GLN 7 -1.697 -0.677 6.976
38 HE21 GLN 7 1HE2 GLN 7 -1.538 1.306 7.744
39 HE22 GLN 7 2HE2 GLN 7 -2.812 2.207 8.486
40 H PHE 8 H PHE 8 -3.362 -2.206 2.695
41 HA PHE 8 HA PHE 8 -5.795 -1.101 1.500
42 HD1 PHE 8 HD2 PHE 8 -5.511 1.893 2.119
43 HD2 PHE 8 HD1 PHE 8 -1.718 -0.028 2.520
44 HE1 PHE 8 HE2 PHE 8 -4.983 3.287 4.032
45 HE2 PHE 8 HE1 PHE 8 -1.214 1.391 4.430
46 HZ PHE 8 HZ PHE 8 -2.837 3.066 5.201
47 HB2 PHE 8 1HB PHE 8 -3.049 -0.360 0.574
48 HB3 PHE 8 2HB PHE 8 -4.556 0.504 0.295
49 HA PRO 9 HA PRO 9 -4.708 -4.754 -0.978
50 HB2 PRO 9 1HB PRO 9 -6.972 -5.053 -2.379
51 HB3 PRO 9 2HB PRO 9 -6.873 -5.452 -0.662
52 HG2 PRO 9 1HG PRO 9 -8.034 -3.036 -1.979
53 HG3 PRO 9 2HG PRO 9 -8.622 -3.945 -0.581
54 HD2 PRO 9 1HD PRO 9 -7.206 -1.577 -0.406
55 HD3 PRO 9 2HD PRO 9 -7.329 -2.801 0.876
56 H SER 10 H SER 10 -5.294 -1.682 -2.172
57 HA SER 10 HA SER 10 -4.580 -2.452 -4.912
58 HG SER 10 HG SER 10 -5.409 0.541 -6.136
59 HB2 SER 10 1HB SER 10 -6.707 -1.126 -4.465
60 HB3 SER 10 2HB SER 10 -5.656 0.238 -4.084
61 H CYS 11 H CYS 11 -2.781 -1.682 -2.380
62 HA CYS 11 HA CYS 11 -1.433 0.661 -3.066
63 HB2 CYS 11 1HB CYS 11 -1.295 -0.577 -0.856
64 HB3 CYS 11 2HB CYS 11 -0.219 -1.707 -1.647
65 H SER 12 H SER 12 -0.316 1.061 -4.885
66 HA SER 12 HA SER 12 0.562 -0.806 -6.728
67 HG SER 12 HG SER 12 2.445 0.548 -8.286
68 HB2 SER 12 1HB SER 12 0.547 1.374 -7.526
69 HB3 SER 12 2HB SER 12 1.373 2.013 -6.121
70 HA PRO 13 HA PRO 13 3.955 -2.857 -4.827
71 HB2 PRO 13 1HB PRO 13 5.769 -2.659 -7.025
72 HB3 PRO 13 2HB PRO 13 4.753 -4.047 -6.631
73 HG2 PRO 13 1HG PRO 13 4.338 -1.909 -8.628
74 HG3 PRO 13 2HG PRO 13 3.741 -3.576 -8.614
75 HD2 PRO 13 1HD PRO 13 2.142 -1.462 -8.154
76 HD3 PRO 13 2HD PRO 13 1.878 -3.033 -7.370
77 H SER 14 H SER 14 4.292 0.177 -6.575
78 HA SER 14 HA SER 14 6.834 0.865 -5.484
79 HG SER 14 HG SER 14 7.621 2.403 -7.074
80 HB2 SER 14 1HB SER 14 4.794 2.207 -7.121
81 HB3 SER 14 2HB SER 14 5.771 3.279 -6.118
82 H CYS 15 H CYS 15 3.545 1.479 -4.419
83 HA CYS 15 HA CYS 15 4.489 3.124 -2.238
84 HB2 CYS 15 1HB CYS 15 1.708 2.207 -2.986
85 HB3 CYS 15 2HB CYS 15 2.074 3.238 -1.606
86 H ALA 16 H ALA 16 4.705 -0.058 -2.693
87 HA ALA 16 HA ALA 16 4.037 -0.632 0.121
88 HB1 ALA 16 3HB ALA 16 4.284 -2.975 -1.595
89 HB2 ALA 16 1HB ALA 16 2.967 -1.887 -2.045
90 HB3 ALA 16 2HB ALA 16 3.043 -2.546 -0.416
91 HA PRO 17 HA PRO 17 4.368 -2.543 1.295
92 HB2 PRO 17 1HB PRO 17 5.666 -3.721 3.233
93 HB3 PRO 17 2HB PRO 17 5.784 -4.395 1.599
94 HG2 PRO 17 1HG PRO 17 7.722 -2.619 3.053
95 HG3 PRO 17 2HG PRO 17 8.053 -4.107 2.142
96 HD2 PRO 17 1HD PRO 17 8.298 -1.539 1.128
97 HD3 PRO 17 2HD PRO 17 8.078 -2.999 0.145
98 H GLN 18 H GLN 18 5.890 0.221 1.615
99 HA GLN 18 HA GLN 18 6.238 0.884 4.262
100 HB2 GLN 18 1HB GLN 18 5.945 3.115 3.712
101 HB3 GLN 18 2HB GLN 18 6.411 2.421 2.183
102 HG2 GLN 18 1HG GLN 18 4.262 2.645 1.302
103 HG3 GLN 18 2HG GLN 18 3.536 2.820 2.895
104 HE21 GLN 18 1HE2 GLN 18 2.677 4.630 1.326
105 HE22 GLN 18 2HE2 GLN 18 3.467 6.154 1.519
106 H CYS 19 H CYS 19 3.353 0.169 2.591
107 HA CYS 19 HA CYS 19 1.192 -0.130 3.158
108 HB2 CYS 19 1HB CYS 19 2.315 -0.409 5.947
109 HB3 CYS 19 2HB CYS 19 0.727 -0.915 5.417
110 H SER 20 H SER 20 1.709 2.558 2.850
111 HA SER 20 HA SER 20 0.119 3.727 5.046
112 HG SER 20 HG SER 20 3.068 3.948 5.281
113 HB2 SER 20 1HB SER 20 1.690 5.661 3.493
114 HB3 SER 20 2HB SER 20 1.477 5.516 5.236
115 H GLN 21 H GLN 21 -1.740 4.655 4.524
116 HA GLN 21 HA GLN 21 -2.957 4.375 2.077
117 HB2 GLN 21 1HB GLN 21 -4.076 4.873 4.286
118 HB3 GLN 21 2HB GLN 21 -3.636 6.557 4.057
119 HG2 GLN 21 1HG GLN 21 -4.954 5.289 1.799
120 HG3 GLN 21 2HG GLN 21 -5.954 5.473 3.222
121 HE21 GLN 21 1HE2 GLN 21 -7.262 7.116 2.726
122 HE22 GLN 21 2HE2 GLN 21 -6.742 8.683 2.220
123 H GLN 22 H GLN 22 -0.997 7.015 3.245
124 HA GLN 22 HA GLN 22 -1.691 9.016 1.498
125 HB2 GLN 22 1HB GLN 22 0.920 8.383 2.838
126 HB3 GLN 22 2HB GLN 22 0.821 9.696 1.674
127 HG2 GLN 22 1HG GLN 22 -0.254 11.034 3.091
128 HG3 GLN 22 2HG GLN 22 -1.300 9.740 3.675
129 HE21 GLN 22 1HE2 GLN 22 0.777 11.917 4.724
130 HE22 GLN 22 2HE2 GLN 22 1.511 11.076 6.042
131 H CYS 23 H CYS 23 0.918 6.626 0.883
132 HA CYS 23 HA CYS 23 1.157 7.563 -1.822
133 HB2 CYS 23 1HB CYS 23 3.098 6.717 -0.476
134 HB3 CYS 23 2HB CYS 23 2.419 5.099 -0.601
135 H CYS 24 H CYS 24 0.001 4.565 -0.280
136 HA CYS 24 HA CYS 24 -0.635 3.251 -2.684
137 HB2 CYS 24 1HB CYS 24 -2.032 2.820 -0.038
138 HB3 CYS 24 2HB CYS 24 -1.856 1.690 -1.362
139 H GLN 25 H GLN 25 -2.508 5.467 -0.686
140 HA GLN 25 HA GLN 25 -4.819 5.077 -2.398
141 HB2 GLN 25 1HB GLN 25 -4.584 5.464 0.326
142 HB3 GLN 25 2HB GLN 25 -5.206 6.996 -0.282
143 HG2 GLN 25 1HG GLN 25 -6.887 5.531 -1.553
144 HG3 GLN 25 2HG GLN 25 -6.382 4.272 -0.431
145 HE21 GLN 25 1HE2 GLN 25 -7.988 7.342 -0.764
146 HE22 GLN 25 2HE2 GLN 25 -8.750 7.341 0.786
147 H GLN 26 H GLN 26 -3.591 8.019 -0.944
148 HA GLN 26 HA GLN 26 -4.477 9.514 -3.246
149 HB2 GLN 26 1HB GLN 26 -4.226 11.463 -1.987
150 HB3 GLN 26 2HB GLN 26 -4.671 10.279 -0.778
151 HG2 GLN 26 1HG GLN 26 -2.733 10.497 0.320
152 HG3 GLN 26 2HG GLN 26 -1.778 10.550 -1.160
153 HE21 GLN 26 1HE2 GLN 26 -3.006 12.310 1.418
154 HE22 GLN 26 2HE2 GLN 26 -2.632 13.897 0.846
155 HA PRO 27 HA PRO 27 -0.537 10.027 -5.187
156 HB2 PRO 27 1HB PRO 27 -0.304 12.616 -5.844
157 HB3 PRO 27 2HB PRO 27 -1.553 11.588 -6.558
158 HG2 PRO 27 1HG PRO 27 -1.776 13.573 -4.330
159 HG3 PRO 27 2HG PRO 27 -2.879 13.285 -5.688
160 HD2 PRO 27 1HD PRO 27 -3.265 12.300 -3.161
161 HD3 PRO 27 2HD PRO 27 -3.920 11.549 -4.630
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -5.440 -10.488 -5.028
2 H2 GLY 1 2H GLY 1 -4.607 -11.904 -5.434
3 H3 GLY 1 3H GLY 1 -5.868 -11.353 -6.417
4 HA2 GLY 1 1HA GLY 1 -3.870 -10.791 -7.523
5 HA3 GLY 1 2HA GLY 1 -4.558 -9.312 -6.873
6 H SER 2 H SER 2 -2.668 -8.172 -6.685
7 HA SER 2 HA SER 2 -0.592 -9.314 -4.940
8 HG SER 2 HG SER 2 0.549 -9.690 -6.983
9 HB2 SER 2 1HB SER 2 -0.408 -7.022 -6.912
10 HB3 SER 2 2HB SER 2 0.919 -7.622 -5.918
11 H SER 3 H SER 3 -0.598 -8.628 -2.912
12 HA SER 3 HA SER 3 -0.780 -5.858 -2.245
13 HG SER 3 HG SER 3 -2.269 -5.373 -0.243
14 HB2 SER 3 1HB SER 3 -3.203 -6.747 -2.535
15 HB3 SER 3 2HB SER 3 -2.901 -7.536 -0.990
16 H SER 4 H SER 4 1.176 -6.291 -1.337
17 HA SER 4 HA SER 4 1.496 -8.307 0.707
18 HG SER 4 HG SER 4 3.587 -8.835 1.022
19 HB2 SER 4 1HB SER 4 3.388 -7.334 -0.829
20 HB3 SER 4 2HB SER 4 3.475 -6.080 0.403
21 H CYS 5 H CYS 5 0.225 -5.286 0.736
22 HA CYS 5 HA CYS 5 0.705 -4.940 3.579
23 HB2 CYS 5 1HB CYS 5 0.161 -2.952 1.382
24 HB3 CYS 5 2HB CYS 5 -0.208 -2.551 3.038
25 HA PRO 6 HA PRO 6 -3.611 -6.182 3.764
26 HB2 PRO 6 1HB PRO 6 -3.899 -6.202 6.443
27 HB3 PRO 6 2HB PRO 6 -2.964 -7.430 5.579
28 HG2 PRO 6 1HG PRO 6 -1.990 -4.971 7.003
29 HG3 PRO 6 2HG PRO 6 -1.374 -6.632 7.104
30 HD2 PRO 6 1HD PRO 6 -0.186 -4.771 5.555
31 HD3 PRO 6 2HD PRO 6 -0.256 -6.477 5.088
32 H GLN 7 H GLN 7 -2.508 -3.106 4.809
33 HA GLN 7 HA GLN 7 -4.886 -2.098 5.919
34 HB2 GLN 7 1HB GLN 7 -2.447 -0.718 4.788
35 HB3 GLN 7 2HB GLN 7 -3.706 0.048 5.707
36 HG2 GLN 7 1HG GLN 7 -1.924 -0.261 7.155
37 HG3 GLN 7 2HG GLN 7 -3.121 -1.473 7.599
38 HE21 GLN 7 1HE2 GLN 7 -1.101 -2.326 8.645
39 HE22 GLN 7 2HE2 GLN 7 -0.128 -3.406 7.712
40 H PHE 8 H PHE 8 -3.446 -2.223 2.733
41 HA PHE 8 HA PHE 8 -5.859 -1.009 1.604
42 HD1 PHE 8 HD2 PHE 8 -5.543 1.980 2.219
43 HD2 PHE 8 HD1 PHE 8 -1.783 -0.007 2.633
44 HE1 PHE 8 HE2 PHE 8 -5.003 3.362 4.137
45 HE2 PHE 8 HE1 PHE 8 -1.266 1.409 4.543
46 HZ PHE 8 HZ PHE 8 -2.865 3.104 5.314
47 HB2 PHE 8 1HB PHE 8 -3.101 -0.300 0.684
48 HB3 PHE 8 2HB PHE 8 -4.594 0.585 0.396
49 HA PRO 9 HA PRO 9 -4.906 -4.611 -0.993
50 HB2 PRO 9 1HB PRO 9 -7.179 -4.776 -2.410
51 HB3 PRO 9 2HB PRO 9 -7.088 -5.258 -0.714
52 HG2 PRO 9 1HG PRO 9 -8.187 -2.756 -1.916
53 HG3 PRO 9 2HG PRO 9 -8.782 -3.703 -0.545
54 HD2 PRO 9 1HD PRO 9 -7.298 -1.382 -0.304
55 HD3 PRO 9 2HD PRO 9 -7.447 -2.644 0.936
56 H SER 10 H SER 10 -5.407 -1.488 -2.099
57 HA SER 10 HA SER 10 -4.697 -2.188 -4.855
58 HG SER 10 HG SER 10 -7.622 -0.480 -5.250
59 HB2 SER 10 1HB SER 10 -5.883 0.371 -3.770
60 HB3 SER 10 2HB SER 10 -5.521 0.051 -5.467
61 H CYS 11 H CYS 11 -2.886 -1.556 -2.292
62 HA CYS 11 HA CYS 11 -1.468 0.771 -2.892
63 HB2 CYS 11 1HB CYS 11 -1.352 -0.551 -0.728
64 HB3 CYS 11 2HB CYS 11 -0.316 -1.682 -1.563
65 H SER 12 H SER 12 -0.344 1.214 -4.694
66 HA SER 12 HA SER 12 0.474 -0.588 -6.619
67 HG SER 12 HG SER 12 2.481 0.700 -8.028
68 HB2 SER 12 1HB SER 12 0.576 1.617 -7.319
69 HB3 SER 12 2HB SER 12 1.383 2.162 -5.865
70 HA PRO 13 HA PRO 13 3.724 -2.886 -4.767
71 HB2 PRO 13 1HB PRO 13 5.565 -2.722 -6.949
72 HB3 PRO 13 2HB PRO 13 4.472 -4.063 -6.602
73 HG2 PRO 13 1HG PRO 13 4.186 -1.848 -8.536
74 HG3 PRO 13 2HG PRO 13 3.497 -3.478 -8.572
75 HD2 PRO 13 1HD PRO 13 2.018 -1.290 -8.055
76 HD3 PRO 13 2HD PRO 13 1.660 -2.868 -7.320
77 H SER 14 H SER 14 4.252 0.172 -6.421
78 HA SER 14 HA SER 14 6.815 0.684 -5.284
79 HG SER 14 HG SER 14 7.692 1.934 -6.825
80 HB2 SER 14 1HB SER 14 4.871 2.191 -6.902
81 HB3 SER 14 2HB SER 14 5.921 3.169 -5.876
82 H CYS 15 H CYS 15 3.557 1.459 -4.235
83 HA CYS 15 HA CYS 15 4.556 3.042 -2.042
84 HB2 CYS 15 1HB CYS 15 1.747 2.184 -2.756
85 HB3 CYS 15 2HB CYS 15 2.156 3.226 -1.397
86 H ALA 16 H ALA 16 4.600 -0.186 -2.526
87 HA ALA 16 HA ALA 16 3.957 -0.741 0.296
88 HB1 ALA 16 3HB ALA 16 3.325 -2.914 -0.290
89 HB2 ALA 16 1HB ALA 16 4.118 -2.803 -1.856
90 HB3 ALA 16 2HB ALA 16 2.638 -1.894 -1.549
91 HA PRO 17 HA PRO 17 4.304 -2.630 1.512
92 HB2 PRO 17 1HB PRO 17 5.613 -3.821 3.427
93 HB3 PRO 17 2HB PRO 17 5.709 -4.496 1.793
94 HG2 PRO 17 1HG PRO 17 7.673 -2.730 3.225
95 HG3 PRO 17 2HG PRO 17 7.987 -4.221 2.314
96 HD2 PRO 17 1HD PRO 17 8.236 -1.657 1.292
97 HD3 PRO 17 2HD PRO 17 8.000 -3.118 0.314
98 H GLN 18 H GLN 18 5.840 0.113 1.789
99 HA GLN 18 HA GLN 18 6.195 0.743 4.461
100 HB2 GLN 18 1HB GLN 18 6.032 2.983 3.912
101 HB3 GLN 18 2HB GLN 18 6.498 2.274 2.389
102 HG2 GLN 18 1HG GLN 18 4.334 2.564 1.491
103 HG3 GLN 18 2HG GLN 18 3.648 2.887 3.078
104 HE21 GLN 18 1HE2 GLN 18 4.500 4.281 0.277
105 HE22 GLN 18 2HE2 GLN 18 4.825 5.890 0.818
106 H CYS 19 H CYS 19 3.351 0.163 2.685
107 HA CYS 19 HA CYS 19 1.166 -0.081 3.162
108 HB2 CYS 19 1HB CYS 19 2.152 -0.478 5.989
109 HB3 CYS 19 2HB CYS 19 0.590 -0.946 5.355
110 H SER 20 H SER 20 1.733 2.618 2.976
111 HA SER 20 HA SER 20 0.112 3.730 5.180
112 HG SER 20 HG SER 20 3.081 5.925 3.468
113 HB2 SER 20 1HB SER 20 1.205 5.914 4.745
114 HB3 SER 20 2HB SER 20 2.349 4.687 5.289
115 H GLN 21 H GLN 21 -1.760 4.675 4.650
116 HA GLN 21 HA GLN 21 -2.954 4.427 2.196
117 HB2 GLN 21 1HB GLN 21 -4.083 4.943 4.396
118 HB3 GLN 21 2HB GLN 21 -3.620 6.621 4.165
119 HG2 GLN 21 1HG GLN 21 -4.936 5.368 1.899
120 HG3 GLN 21 2HG GLN 21 -5.945 5.559 3.315
121 HE21 GLN 21 1HE2 GLN 21 -7.172 7.286 3.070
122 HE22 GLN 21 2HE2 GLN 21 -6.656 8.822 2.472
123 H GLN 22 H GLN 22 -0.962 7.035 3.371
124 HA GLN 22 HA GLN 22 -1.619 9.047 1.617
125 HB2 GLN 22 1HB GLN 22 0.954 8.391 3.008
126 HB3 GLN 22 2HB GLN 22 0.925 9.665 1.801
127 HG2 GLN 22 1HG GLN 22 -1.253 9.872 3.714
128 HG3 GLN 22 2HG GLN 22 0.342 9.945 4.461
129 HE21 GLN 22 1HE2 GLN 22 1.909 11.393 3.183
130 HE22 GLN 22 2HE2 GLN 22 1.280 12.930 2.708
131 H CYS 23 H CYS 23 0.985 6.644 1.035
132 HA CYS 23 HA CYS 23 1.251 7.557 -1.673
133 HB2 CYS 23 1HB CYS 23 3.171 6.695 -0.310
134 HB3 CYS 23 2HB CYS 23 2.473 5.086 -0.433
135 H CYS 24 H CYS 24 0.044 4.577 -0.133
136 HA CYS 24 HA CYS 24 -0.588 3.271 -2.542
137 HB2 CYS 24 1HB CYS 24 -2.015 2.860 0.092
138 HB3 CYS 24 2HB CYS 24 -1.851 1.731 -1.234
139 H GLN 25 H GLN 25 -2.447 5.506 -0.552
140 HA GLN 25 HA GLN 25 -4.731 5.192 -2.318
141 HB2 GLN 25 1HB GLN 25 -4.548 5.514 0.420
142 HB3 GLN 25 2HB GLN 25 -5.122 7.072 -0.166
143 HG2 GLN 25 1HG GLN 25 -6.416 4.715 -1.310
144 HG3 GLN 25 2HG GLN 25 -6.683 4.973 0.410
145 HE21 GLN 25 1HE2 GLN 25 -7.076 6.336 -2.786
146 HE22 GLN 25 2HE2 GLN 25 -8.306 7.474 -2.366
147 H GLN 26 H GLN 26 -3.476 8.069 -0.758
148 HA GLN 26 HA GLN 26 -3.083 10.249 -1.588
149 HB2 GLN 26 1HB GLN 26 -2.488 8.443 -3.857
150 HB3 GLN 26 2HB GLN 26 -2.853 10.107 -4.291
151 HG2 GLN 26 1HG GLN 26 -1.123 10.556 -2.307
152 HG3 GLN 26 2HG GLN 26 -0.538 8.983 -2.850
153 HE21 GLN 26 1HE2 GLN 26 0.433 8.797 -4.831
154 HE22 GLN 26 2HE2 GLN 26 0.867 10.156 -5.805
155 HA PRO 27 HA PRO 27 -7.467 10.377 -3.209
156 HB2 PRO 27 1HB PRO 27 -8.855 10.878 -0.984
157 HB3 PRO 27 2HB PRO 27 -8.363 9.233 -1.405
158 HG2 PRO 27 1HG PRO 27 -7.192 11.110 0.595
159 HG3 PRO 27 2HG PRO 27 -7.405 9.354 0.693
160 HD2 PRO 27 1HD PRO 27 -5.041 10.673 0.028
161 HD3 PRO 27 2HD PRO 27 -5.392 8.963 -0.285
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 2.598 -12.285 -3.806
2 H2 GLY 1 2H GLY 1 3.870 -11.930 -2.749
3 H3 GLY 1 3H GLY 1 4.195 -12.601 -4.268
4 HA2 GLY 1 1HA GLY 1 4.360 -9.991 -3.727
5 HA3 GLY 1 2HA GLY 1 4.080 -10.652 -5.330
6 H SER 2 H SER 2 3.247 -8.109 -4.675
7 HA SER 2 HA SER 2 1.446 -6.728 -4.810
8 HG SER 2 HG SER 2 -1.433 -9.130 -5.690
9 HB2 SER 2 1HB SER 2 -0.346 -7.403 -6.143
10 HB3 SER 2 2HB SER 2 0.933 -8.506 -6.652
11 H SER 3 H SER 3 -0.515 -6.101 -3.735
12 HA SER 3 HA SER 3 -1.590 -5.777 -1.722
13 HG SER 3 HG SER 3 -3.752 -8.702 -0.985
14 HB2 SER 3 1HB SER 3 -3.207 -7.141 -2.737
15 HB3 SER 3 2HB SER 3 -2.212 -8.580 -2.559
16 H SER 4 H SER 4 1.035 -6.221 -1.311
17 HA SER 4 HA SER 4 1.449 -8.228 0.722
18 HG SER 4 HG SER 4 3.566 -8.705 1.004
19 HB2 SER 4 1HB SER 4 3.286 -7.233 -0.856
20 HB3 SER 4 2HB SER 4 3.378 -5.959 0.358
21 H CYS 5 H CYS 5 0.184 -5.189 0.797
22 HA CYS 5 HA CYS 5 0.668 -4.910 3.643
23 HB2 CYS 5 1HB CYS 5 0.191 -2.862 1.486
24 HB3 CYS 5 2HB CYS 5 -0.183 -2.485 3.146
25 HA PRO 6 HA PRO 6 -3.658 -6.098 3.805
26 HB2 PRO 6 1HB PRO 6 -3.971 -6.078 6.487
27 HB3 PRO 6 2HB PRO 6 -3.067 -7.338 5.638
28 HG2 PRO 6 1HG PRO 6 -2.035 -4.903 7.057
29 HG3 PRO 6 2HG PRO 6 -1.456 -6.577 7.152
30 HD2 PRO 6 1HD PRO 6 -0.230 -4.732 5.613
31 HD3 PRO 6 2HD PRO 6 -0.328 -6.436 5.141
32 H GLN 7 H GLN 7 -2.538 -3.026 4.835
33 HA GLN 7 HA GLN 7 -4.920 -1.980 5.900
34 HB2 GLN 7 1HB GLN 7 -2.464 -0.641 4.756
35 HB3 GLN 7 2HB GLN 7 -3.727 0.158 5.641
36 HG2 GLN 7 1HG GLN 7 -1.965 -0.121 7.116
37 HG3 GLN 7 2HG GLN 7 -3.173 -1.316 7.578
38 HE21 GLN 7 1HE2 GLN 7 -1.157 -2.139 8.667
39 HE22 GLN 7 2HE2 GLN 7 -0.183 -3.251 7.774
40 H PHE 8 H PHE 8 -3.452 -2.184 2.734
41 HA PHE 8 HA PHE 8 -5.857 -1.019 1.543
42 HD1 PHE 8 HD1 PHE 8 -5.565 1.981 2.135
43 HD2 PHE 8 HD2 PHE 8 -1.790 0.036 2.577
44 HE1 PHE 8 HE1 PHE 8 -5.040 3.388 4.037
45 HE2 PHE 8 HE2 PHE 8 -1.284 1.478 4.468
46 HZ PHE 8 HZ PHE 8 -2.903 3.166 5.219
47 HB2 PHE 8 1HB PHE 8 -3.100 -0.302 0.629
48 HB3 PHE 8 2HB PHE 8 -4.600 0.568 0.327
49 HA PRO 9 HA PRO 9 -4.804 -4.681 -0.931
50 HB2 PRO 9 1HB PRO 9 -7.062 -4.956 -2.346
51 HB3 PRO 9 2HB PRO 9 -6.977 -5.357 -0.628
52 HG2 PRO 9 1HG PRO 9 -8.106 -2.928 -1.950
53 HG3 PRO 9 2HG PRO 9 -8.708 -3.831 -0.553
54 HD2 PRO 9 1HD PRO 9 -7.268 -1.478 -0.374
55 HD3 PRO 9 2HD PRO 9 -7.409 -2.699 0.907
56 H SER 10 H SER 10 -5.350 -1.606 -2.135
57 HA SER 10 HA SER 10 -4.625 -2.391 -4.867
58 HG SER 10 HG SER 10 -4.876 0.237 -6.142
59 HB2 SER 10 1HB SER 10 -6.738 -1.032 -4.431
60 HB3 SER 10 2HB SER 10 -5.665 0.320 -4.062
61 H CYS 11 H CYS 11 -2.835 -1.638 -2.324
62 HA CYS 11 HA CYS 11 -1.452 0.686 -3.012
63 HB2 CYS 11 1HB CYS 11 -1.346 -0.540 -0.792
64 HB3 CYS 11 2HB CYS 11 -0.277 -1.688 -1.568
65 H SER 12 H SER 12 -0.315 1.058 -4.826
66 HA SER 12 HA SER 12 0.552 -0.835 -6.647
67 HG SER 12 HG SER 12 3.104 1.819 -7.276
68 HB2 SER 12 1HB SER 12 0.579 1.339 -7.461
69 HB3 SER 12 2HB SER 12 1.401 1.975 -6.052
70 HA PRO 13 HA PRO 13 3.895 -2.924 -4.699
71 HB2 PRO 13 1HB PRO 13 5.734 -2.771 -6.879
72 HB3 PRO 13 2HB PRO 13 4.689 -4.139 -6.489
73 HG2 PRO 13 1HG PRO 13 4.332 -2.004 -8.500
74 HG3 PRO 13 2HG PRO 13 3.710 -3.661 -8.487
75 HD2 PRO 13 1HD PRO 13 2.137 -1.523 -8.053
76 HD3 PRO 13 2HD PRO 13 1.842 -3.086 -7.263
77 H SER 14 H SER 14 4.293 0.093 -6.460
78 HA SER 14 HA SER 14 6.842 0.756 -5.369
79 HG SER 14 HG SER 14 4.746 3.896 -6.632
80 HB2 SER 14 1HB SER 14 6.612 2.830 -6.430
81 HB3 SER 14 2HB SER 14 5.655 1.748 -7.439
82 H CYS 15 H CYS 15 3.560 1.434 -4.333
83 HA CYS 15 HA CYS 15 4.505 3.068 -2.147
84 HB2 CYS 15 1HB CYS 15 1.721 2.188 -2.924
85 HB3 CYS 15 2HB CYS 15 2.081 3.206 -1.534
86 H ALA 16 H ALA 16 4.667 -0.124 -2.585
87 HA ALA 16 HA ALA 16 3.973 -0.666 0.229
88 HB1 ALA 16 3HB ALA 16 4.201 -3.025 -1.464
89 HB2 ALA 16 1HB ALA 16 2.905 -1.923 -1.938
90 HB3 ALA 16 2HB ALA 16 2.954 -2.568 -0.302
91 HA PRO 17 HA PRO 17 4.268 -2.583 1.414
92 HB2 PRO 17 1HB PRO 17 5.530 -3.777 3.365
93 HB3 PRO 17 2HB PRO 17 5.656 -4.453 1.732
94 HG2 PRO 17 1HG PRO 17 7.602 -2.701 3.204
95 HG3 PRO 17 2HG PRO 17 7.924 -4.193 2.296
96 HD2 PRO 17 1HD PRO 17 8.209 -1.628 1.284
97 HD3 PRO 17 2HD PRO 17 7.982 -3.086 0.299
98 H GLN 18 H GLN 18 5.819 0.162 1.748
99 HA GLN 18 HA GLN 18 6.153 0.820 4.397
100 HB2 GLN 18 1HB GLN 18 5.893 3.055 3.844
101 HB3 GLN 18 2HB GLN 18 6.364 2.354 2.320
102 HG2 GLN 18 1HG GLN 18 4.224 2.603 1.420
103 HG3 GLN 18 2HG GLN 18 3.489 2.792 3.006
104 HE21 GLN 18 1HE2 GLN 18 2.670 4.610 1.422
105 HE22 GLN 18 2HE2 GLN 18 3.479 6.123 1.618
106 H CYS 19 H CYS 19 3.273 0.141 2.704
107 HA CYS 19 HA CYS 19 1.103 -0.126 3.255
108 HB2 CYS 19 1HB CYS 19 2.198 -0.415 6.055
109 HB3 CYS 19 2HB CYS 19 0.608 -0.902 5.508
110 H SER 20 H SER 20 1.661 2.551 2.942
111 HA SER 20 HA SER 20 0.066 3.754 5.118
112 HG SER 20 HG SER 20 3.160 4.255 5.472
113 HB2 SER 20 1HB SER 20 1.689 5.657 3.577
114 HB3 SER 20 2HB SER 20 1.452 5.521 5.318
115 H GLN 21 H GLN 21 -1.770 4.719 4.566
116 HA GLN 21 HA GLN 21 -2.958 4.445 2.105
117 HB2 GLN 21 1HB GLN 21 -4.097 4.971 4.299
118 HB3 GLN 21 2HB GLN 21 -3.638 6.649 4.058
119 HG2 GLN 21 1HG GLN 21 -4.939 5.367 1.798
120 HG3 GLN 21 2HG GLN 21 -5.955 5.582 3.205
121 HE21 GLN 21 1HE2 GLN 21 -7.121 7.354 3.083
122 HE22 GLN 21 2HE2 GLN 21 -6.620 8.862 2.404
123 H GLN 22 H GLN 22 -0.973 7.051 3.290
124 HA GLN 22 HA GLN 22 -1.608 9.064 1.533
125 HB2 GLN 22 1HB GLN 22 0.968 8.385 2.913
126 HB3 GLN 22 2HB GLN 22 0.924 9.684 1.732
127 HG2 GLN 22 1HG GLN 22 -1.268 10.158 3.366
128 HG3 GLN 22 2HG GLN 22 0.010 9.639 4.465
129 HE21 GLN 22 1HE2 GLN 22 -0.051 11.567 1.485
130 HE22 GLN 22 2HE2 GLN 22 0.778 12.931 2.146
131 H CYS 23 H CYS 23 0.965 6.629 0.953
132 HA CYS 23 HA CYS 23 1.250 7.554 -1.751
133 HB2 CYS 23 1HB CYS 23 3.162 6.677 -0.383
134 HB3 CYS 23 2HB CYS 23 2.456 5.071 -0.512
135 H CYS 24 H CYS 24 0.027 4.575 -0.219
136 HA CYS 24 HA CYS 24 -0.610 3.271 -2.627
137 HB2 CYS 24 1HB CYS 24 -2.045 2.873 0.004
138 HB3 CYS 24 2HB CYS 24 -1.877 1.736 -1.313
139 H GLN 25 H GLN 25 -2.456 5.522 -0.648
140 HA GLN 25 HA GLN 25 -4.745 5.216 -2.413
141 HB2 GLN 25 1HB GLN 25 -4.556 5.539 0.325
142 HB3 GLN 25 2HB GLN 25 -5.129 7.098 -0.261
143 HG2 GLN 25 1HG GLN 25 -6.655 5.326 -1.660
144 HG3 GLN 25 2HG GLN 25 -6.454 4.526 -0.104
145 HE21 GLN 25 1HE2 GLN 25 -7.257 7.688 -1.488
146 HE22 GLN 25 2HE2 GLN 25 -8.445 8.101 -0.303
147 H GLN 26 H GLN 26 -3.475 8.083 -0.855
148 HA GLN 26 HA GLN 26 -3.344 10.306 -1.574
149 HB2 GLN 26 1HB GLN 26 -1.785 10.536 -3.219
150 HB3 GLN 26 2HB GLN 26 -1.519 8.867 -2.791
151 HG2 GLN 26 1HG GLN 26 -1.860 8.248 -4.870
152 HG3 GLN 26 2HG GLN 26 -3.482 8.926 -4.830
153 HE21 GLN 26 1HE2 GLN 26 -0.365 10.567 -4.619
154 HE22 GLN 26 2HE2 GLN 26 -0.568 11.521 -6.044
155 HA PRO 27 HA PRO 27 -6.798 11.554 -4.021
156 HB2 PRO 27 1HB PRO 27 -5.987 13.612 -5.553
157 HB3 PRO 27 2HB PRO 27 -6.081 13.737 -3.793
158 HG2 PRO 27 1HG PRO 27 -3.694 13.245 -5.531
159 HG3 PRO 27 2HG PRO 27 -3.855 14.322 -4.131
160 HD2 PRO 27 1HD PRO 27 -2.711 11.860 -3.994
161 HD3 PRO 27 2HD PRO 27 -3.553 12.617 -2.628