NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640037 |
6h3e   |
34303 | cing | 1-original | 16 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 62.146 62.661 82.406
2 H2 GLY 1 H2 GLY 1 62.818 61.175 82.228
3 H3 GLY 1 H3 GLY 1 61.831 61.484 83.509
4 HA2 GLY 1 HA2 GLY 1 60.673 60.173 81.883
5 HA3 GLY 1 HA3 GLY 1 59.938 61.780 82.077
6 H SER 2 H SER 2 59.039 61.472 79.906
7 HA SER 2 HA SER 2 60.699 61.045 77.633
8 HB2 SER 2 HB2 SER 2 58.178 60.732 77.848
9 HB3 SER 2 HB3 SER 2 58.018 62.477 77.604
10 HG SER 2 HG SER 2 58.941 62.242 75.539
11 H ASP 3 H ASP 3 62.051 62.229 76.600
12 HA ASP 3 HA ASP 3 61.905 64.907 75.948
13 HB2 ASP 3 HB2 ASP 3 62.484 65.173 78.501
14 HB3 ASP 3 HB3 ASP 3 64.095 64.816 77.945
15 H PHE 4 H PHE 4 63.425 65.458 74.559
16 HA PHE 4 HA PHE 4 65.010 63.318 73.330
17 HB2 PHE 4 HB2 PHE 4 65.030 64.933 71.440
18 HB3 PHE 4 HB3 PHE 4 63.396 64.649 72.007
19 HD1 PHE 4 HD1 PHE 4 62.303 66.439 73.598
20 HD2 PHE 4 HD2 PHE 4 65.952 67.143 71.395
21 HE1 PHE 4 HE1 PHE 4 62.011 68.870 73.881
22 HE2 PHE 4 HE2 PHE 4 65.659 69.582 71.720
23 HZ PHE 4 HZ PHE 4 63.668 70.451 72.922
24 H LEU 5 H LEU 5 65.407 66.387 74.901
25 HA LEU 5 HA LEU 5 67.015 67.396 75.965
26 HB2 LEU 5 HB2 LEU 5 68.843 65.061 75.208
27 HB3 LEU 5 HB3 LEU 5 69.352 66.431 76.144
28 HG LEU 5 HG LEU 5 68.908 64.731 77.680
29 HD11 LEU 5 HD11 LEU 5 66.453 66.537 77.831
30 HD12 LEU 5 HD12 LEU 5 67.342 65.776 79.152
31 HD13 LEU 5 HD13 LEU 5 68.110 67.069 78.222
32 HD21 LEU 5 HD21 LEU 5 66.047 64.448 76.733
33 HD22 LEU 5 HD22 LEU 5 67.348 63.330 76.278
34 HD23 LEU 5 HD23 LEU 5 66.883 63.511 77.976
35 H SER 6 H SER 6 68.452 68.928 75.829
36 HA SER 6 HA SER 6 70.247 69.411 73.739
37 HB2 SER 6 HB2 SER 6 68.229 69.986 72.387
38 HB3 SER 6 HB3 SER 6 67.652 71.026 73.685
39 HG SER 6 HG SER 6 68.652 72.525 72.649
40 HA PRO 7 HA PRO 7 71.056 72.451 77.026
41 HB2 PRO 7 HB2 PRO 7 73.567 73.278 76.394
42 HB3 PRO 7 HB3 PRO 7 73.259 71.597 76.921
43 HG2 PRO 7 HG2 PRO 7 73.563 72.636 74.095
44 HG3 PRO 7 HG3 PRO 7 74.306 71.193 74.847
45 HD2 PRO 7 HD2 PRO 7 71.975 71.158 73.302
46 HD3 PRO 7 HD3 PRO 7 72.380 69.935 74.545
47 H GLU 8 H GLU 8 69.932 73.071 74.159
48 HA GLU 8 HA GLU 8 70.018 76.035 74.342
49 HB2 GLU 8 HB2 GLU 8 70.540 74.560 71.737
50 HB3 GLU 8 HB3 GLU 8 70.535 76.295 72.033
51 HG2 GLU 8 HG2 GLU 8 72.554 75.855 73.610
52 HG3 GLU 8 HG3 GLU 8 72.617 74.260 72.847
53 H HIS 9 H HIS 9 68.513 77.082 73.071
54 HA HIS 9 HA HIS 9 66.768 77.557 71.793
55 HB2 HIS 9 HB2 HIS 9 67.669 75.414 70.601
56 HB3 HIS 9 HB3 HIS 9 66.260 74.630 71.264
57 HD2 HIS 9 HD2 HIS 9 67.384 76.333 68.261
58 HE1 HIS 9 HE1 HIS 9 63.133 76.499 68.078
59 HE2 HIS 9 HE2 HIS 9 65.288 76.718 66.726
60 H GLN 10 H GLN 10 64.557 77.618 71.496
61 HA GLN 10 HA GLN 10 62.844 76.652 73.630
62 HB2 GLN 10 HB2 GLN 10 62.364 79.473 73.489
63 HB3 GLN 10 HB3 GLN 10 62.746 78.457 74.870
64 HG2 GLN 10 HG2 GLN 10 64.188 80.338 74.890
65 HG3 GLN 10 HG3 GLN 10 65.135 78.898 74.581
66 HE21 GLN 10 HE21 GLN 10 66.852 80.231 73.708
67 HE22 GLN 10 HE22 GLN 10 66.693 80.917 72.096
68 H ARG 11 H ARG 11 60.757 76.497 72.847
69 HA ARG 11 HA ARG 11 60.486 76.869 69.936
70 HB2 ARG 11 HB2 ARG 11 58.955 75.415 72.068
71 HB3 ARG 11 HB3 ARG 11 58.172 75.768 70.532
72 HG2 ARG 11 HG2 ARG 11 59.318 73.500 70.799
73 HG3 ARG 11 HG3 ARG 11 59.520 74.383 69.296
74 HD2 ARG 11 HD2 ARG 11 61.782 74.927 69.755
75 HD3 ARG 11 HD3 ARG 11 61.640 74.491 71.461
76 HE ARG 11 HE ARG 11 60.993 72.158 70.166
77 HH11 ARG 11 HH11 ARG 11 63.901 74.184 69.947
78 HH12 ARG 11 HH12 ARG 11 64.914 72.801 69.638
79 HH21 ARG 11 HH21 ARG 11 62.312 70.509 69.775
80 HH22 ARG 11 HH22 ARG 11 64.040 70.739 69.552
81 H VAL 12 H VAL 12 60.727 79.053 70.059
82 HA VAL 12 HA VAL 12 58.614 80.909 70.961
83 HB VAL 12 HB VAL 12 61.077 81.246 69.201
84 HG11 VAL 12 HG11 VAL 12 59.345 83.451 70.380
85 HG12 VAL 12 HG12 VAL 12 60.897 83.679 69.554
86 HG13 VAL 12 HG13 VAL 12 59.520 83.075 68.648
87 HG21 VAL 12 HG21 VAL 12 62.061 82.378 71.172
88 HG22 VAL 12 HG22 VAL 12 60.582 82.052 72.103
89 HG23 VAL 12 HG23 VAL 12 61.615 80.718 71.562
90 H GLN 13 H GLN 13 57.312 82.215 69.367
91 HA GLN 13 HA GLN 13 56.088 80.532 67.401
92 HB2 GLN 13 HB2 GLN 13 54.611 82.239 66.969
93 HB3 GLN 13 HB3 GLN 13 54.963 82.379 68.680
94 HG2 GLN 13 HG2 GLN 13 56.103 84.143 66.460
95 HG3 GLN 13 HG3 GLN 13 54.756 84.561 67.501
96 HE21 GLN 13 HE21 GLN 13 57.832 86.227 68.813
97 HE22 GLN 13 HE22 GLN 13 56.851 86.319 67.353
98 H GLN 14 H GLN 14 59.031 82.229 67.146
99 HA GLN 14 HA GLN 14 59.167 81.808 64.250
100 HB2 GLN 14 HB2 GLN 14 59.857 84.127 63.802
101 HB3 GLN 14 HB3 GLN 14 58.225 84.023 64.427
102 HG2 GLN 14 HG2 GLN 14 58.972 85.828 65.594
103 HG3 GLN 14 HG3 GLN 14 59.366 84.590 66.767
104 HE21 GLN 14 HE21 GLN 14 62.921 85.133 66.441
105 HE22 GLN 14 HE22 GLN 14 61.743 83.902 66.866
106 H ARG 15 H ARG 15 61.376 82.229 63.430
107 HA ARG 15 HA ARG 15 63.558 82.218 65.445
108 HB2 ARG 15 HB2 ARG 15 63.231 80.223 63.161
109 HB3 ARG 15 HB3 ARG 15 64.725 80.422 64.069
110 HG2 ARG 15 HG2 ARG 15 62.143 79.710 65.511
111 HG3 ARG 15 HG3 ARG 15 63.062 78.502 64.653
112 HD2 ARG 15 HD2 ARG 15 63.554 78.621 67.096
113 HD3 ARG 15 HD3 ARG 15 64.937 78.700 66.045
114 HE ARG 15 HE ARG 15 65.174 81.054 66.447
115 HH11 ARG 15 HH11 ARG 15 65.558 82.498 67.971
116 HH12 ARG 15 HH12 ARG 15 64.867 82.337 69.571
117 HH21 ARG 15 HH21 ARG 15 63.112 79.421 68.876
118 HH22 ARG 15 HH22 ARG 15 63.713 80.465 70.131
119 H LYS 16 H LYS 16 65.403 83.192 64.796
120 HA LYS 16 HA LYS 16 65.836 84.209 62.073
121 HB2 LYS 16 HB2 LYS 16 65.277 86.116 64.391
122 HB3 LYS 16 HB3 LYS 16 66.062 86.588 62.881
123 HG2 LYS 16 HG2 LYS 16 64.047 85.909 61.603
124 HG3 LYS 16 HG3 LYS 16 63.226 85.552 63.144
125 HD2 LYS 16 HD2 LYS 16 63.431 87.854 63.867
126 HD3 LYS 16 HD3 LYS 16 64.411 88.262 62.455
127 HE2 LYS 16 HE2 LYS 16 62.145 89.080 62.175
128 HE3 LYS 16 HE3 LYS 16 62.531 87.870 60.949
129 HZ1 LYS 16 HZ1 LYS 16 60.299 87.638 62.009
130 HZ2 LYS 16 HZ2 LYS 16 61.212 86.277 62.111
131 HZ3 LYS 16 HZ3 LYS 16 61.032 87.239 63.427
132 H GLU 17 H GLU 17 67.289 82.390 63.147
133 HA GLU 17 HA GLU 17 69.961 83.173 63.288
134 HB2 GLU 17 HB2 GLU 17 70.651 82.879 65.552
135 HB3 GLU 17 HB3 GLU 17 69.511 84.190 65.506
136 HG2 GLU 17 HG2 GLU 17 69.004 81.366 66.525
137 HG3 GLU 17 HG3 GLU 17 69.201 82.811 67.488
138 H SER 18 H SER 18 67.637 80.778 64.659
139 HA SER 18 HA SER 18 69.519 78.559 64.203
140 HB2 SER 18 HB2 SER 18 66.589 78.565 64.939
141 HB3 SER 18 HB3 SER 18 67.672 77.173 65.033
142 HG SER 18 HG SER 18 68.925 78.357 66.569
143 HN1 NH2 19 HN1 NH2 19 69.717 77.369 62.307
144 HN2 NH2 19 HN2 NH2 19 68.508 77.386 61.037
145 H12 FKZ 101 H12 OCT 20 61.342 69.254 77.580
146 H11 FKZ 101 H11 OCT 20 62.539 69.062 76.300
147 H22 FKZ 101 H22 OCT 20 63.211 69.731 79.235
148 H21 FKZ 101 H21 OCT 20 62.948 70.956 78.018
149 H31 FKZ 101 H31 OCT 20 65.361 70.580 78.361
150 H32 FKZ 101 H32 OCT 20 65.197 68.868 78.024
151 H41 FKZ 101 H41 OCT 20 66.177 70.078 76.097
152 H42 FKZ 101 H42 OCT 20 64.695 69.279 75.661
153 H52 FKZ 101 H52 OCT 20 63.420 71.416 75.754
154 H51 FKZ 101 H51 OCT 20 64.745 71.452 74.622
155 H62 FKZ 101 H62 OCT 20 64.725 72.790 77.369
156 H61 FKZ 101 H61 OCT 20 64.632 73.585 75.803
157 H72 FKZ 101 H72 OCT 20 66.958 72.443 75.313
158 H71 FKZ 101 H71 OCT 20 66.989 72.121 77.053
159 H81 FKZ 101 H81 OCT 20 66.897 74.859 75.702
160 H83 FKZ 101 H83 OCT 20 68.247 74.160 76.613
161 H82 FKZ 101 H82 OCT 20 66.756 74.626 77.463
162 H FKZ 101 H OCT 20 61.932 67.230 78.549
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 57.731 58.661 80.664
2 H2 GLY 1 H2 GLY 1 58.068 58.678 82.280
3 H3 GLY 1 H3 GLY 1 58.845 57.625 81.279
4 HA2 GLY 1 HA2 GLY 1 59.105 60.557 81.219
5 HA3 GLY 1 HA3 GLY 1 60.308 59.426 81.855
6 H SER 2 H SER 2 59.716 61.335 79.317
7 HA SER 2 HA SER 2 61.861 60.084 77.830
8 HB2 SER 2 HB2 SER 2 59.995 58.838 76.828
9 HB3 SER 2 HB3 SER 2 59.174 60.362 76.432
10 HG SER 2 HG SER 2 60.433 59.467 74.672
11 H ASP 3 H ASP 3 63.026 61.583 76.753
12 HA ASP 3 HA ASP 3 62.038 64.130 75.894
13 HB2 ASP 3 HB2 ASP 3 62.386 64.523 78.379
14 HB3 ASP 3 HB3 ASP 3 64.107 64.524 78.017
15 H PHE 4 H PHE 4 63.329 65.078 74.453
16 HA PHE 4 HA PHE 4 65.411 63.483 73.220
17 HB2 PHE 4 HB2 PHE 4 65.138 65.032 71.390
18 HB3 PHE 4 HB3 PHE 4 63.538 64.630 71.980
19 HD1 PHE 4 HD1 PHE 4 62.381 66.350 73.629
20 HD2 PHE 4 HD2 PHE 4 65.887 67.285 71.282
21 HE1 PHE 4 HE1 PHE 4 61.966 68.756 73.960
22 HE2 PHE 4 HE2 PHE 4 65.459 69.701 71.624
23 HZ PHE 4 HZ PHE 4 63.499 70.445 72.965
24 H LEU 5 H LEU 5 65.237 66.424 75.040
25 HA LEU 5 HA LEU 5 66.657 67.820 76.003
26 HB2 LEU 5 HB2 LEU 5 68.810 65.706 75.455
27 HB3 LEU 5 HB3 LEU 5 69.046 67.162 76.386
28 HG LEU 5 HG LEU 5 68.793 65.532 77.976
29 HD11 LEU 5 HD11 LEU 5 66.845 66.203 79.219
30 HD12 LEU 5 HD12 LEU 5 67.467 67.621 78.364
31 HD13 LEU 5 HD13 LEU 5 66.013 66.769 77.779
32 HD21 LEU 5 HD21 LEU 5 67.048 63.876 78.137
33 HD22 LEU 5 HD22 LEU 5 66.218 64.544 76.732
34 HD23 LEU 5 HD23 LEU 5 67.799 63.751 76.534
35 H SER 6 H SER 6 67.989 69.505 75.809
36 HA SER 6 HA SER 6 69.826 69.608 73.615
37 HB2 SER 6 HB2 SER 6 67.782 70.324 72.418
38 HB3 SER 6 HB3 SER 6 67.585 71.644 73.582
39 HG SER 6 HG SER 6 68.676 72.571 71.956
40 HA PRO 7 HA PRO 7 71.434 72.107 77.050
41 HB2 PRO 7 HB2 PRO 7 74.077 71.709 76.697
42 HB3 PRO 7 HB3 PRO 7 73.002 70.333 77.084
43 HG2 PRO 7 HG2 PRO 7 73.945 71.219 74.327
44 HG3 PRO 7 HG3 PRO 7 74.042 69.589 75.052
45 HD2 PRO 7 HD2 PRO 7 71.981 70.348 73.418
46 HD3 PRO 7 HD3 PRO 7 71.777 69.181 74.757
47 H GLU 8 H GLU 8 70.528 73.300 74.485
48 HA GLU 8 HA GLU 8 72.299 75.671 74.251
49 HB2 GLU 8 HB2 GLU 8 71.331 74.147 71.821
50 HB3 GLU 8 HB3 GLU 8 72.477 75.482 71.913
51 HG2 GLU 8 HG2 GLU 8 74.059 73.859 73.126
52 HG3 GLU 8 HG3 GLU 8 72.906 72.581 72.702
53 H HIS 9 H HIS 9 71.464 77.367 73.030
54 HA HIS 9 HA HIS 9 70.027 78.804 72.076
55 HB2 HIS 9 HB2 HIS 9 69.313 76.524 70.978
56 HB3 HIS 9 HB3 HIS 9 67.870 76.703 71.972
57 HD2 HIS 9 HD2 HIS 9 69.211 77.436 68.648
58 HE1 HIS 9 HE1 HIS 9 66.097 80.304 69.129
59 HE2 HIS 9 HE2 HIS 9 67.675 79.222 67.445
60 H GLN 10 H GLN 10 68.219 80.148 72.358
61 HA GLN 10 HA GLN 10 67.487 80.268 75.264
62 HB2 GLN 10 HB2 GLN 10 68.545 82.496 73.477
63 HB3 GLN 10 HB3 GLN 10 68.180 82.596 75.182
64 HG2 GLN 10 HG2 GLN 10 70.451 80.997 73.965
65 HG3 GLN 10 HG3 GLN 10 70.583 82.498 74.861
66 HE21 GLN 10 HE21 GLN 10 71.192 79.438 77.094
67 HE22 GLN 10 HE22 GLN 10 71.848 79.825 75.519
68 H ARG 11 H ARG 11 65.914 81.977 75.770
69 HA ARG 11 HA ARG 11 63.730 82.149 73.718
70 HB2 ARG 11 HB2 ARG 11 63.568 81.428 76.659
71 HB3 ARG 11 HB3 ARG 11 62.175 81.675 75.604
72 HG2 ARG 11 HG2 ARG 11 64.297 79.506 75.255
73 HG3 ARG 11 HG3 ARG 11 62.712 79.288 75.988
74 HD2 ARG 11 HD2 ARG 11 61.588 79.840 73.910
75 HD3 ARG 11 HD3 ARG 11 63.109 80.228 73.113
76 HE ARG 11 HE ARG 11 62.124 77.525 73.862
77 HH11 ARG 11 HH11 ARG 11 65.352 77.958 71.518
78 HH12 ARG 11 HH12 ARG 11 64.805 79.365 72.368
79 HH21 ARG 11 HH21 ARG 11 62.930 75.826 72.803
80 HH22 ARG 11 HH22 ARG 11 64.369 75.974 71.785
81 H VAL 12 H VAL 12 63.825 84.187 73.154
82 HA VAL 12 HA VAL 12 62.640 86.174 74.861
83 HB VAL 12 HB VAL 12 64.849 86.528 75.731
84 HG11 VAL 12 HG11 VAL 12 66.807 87.130 74.393
85 HG12 VAL 12 HG12 VAL 12 66.250 85.506 73.979
86 HG13 VAL 12 HG13 VAL 12 65.903 86.869 72.894
87 HG21 VAL 12 HG21 VAL 12 65.221 88.864 75.202
88 HG22 VAL 12 HG22 VAL 12 64.289 88.727 73.702
89 HG23 VAL 12 HG23 VAL 12 63.480 88.539 75.273
90 H GLN 13 H GLN 13 61.475 87.566 73.597
91 HA GLN 13 HA GLN 13 61.650 87.132 70.674
92 HB2 GLN 13 HB2 GLN 13 59.477 87.118 72.317
93 HB3 GLN 13 HB3 GLN 13 59.512 88.827 71.901
94 HG2 GLN 13 HG2 GLN 13 58.072 87.714 70.340
95 HG3 GLN 13 HG3 GLN 13 59.531 88.175 69.468
96 HE21 GLN 13 HE21 GLN 13 59.001 84.813 68.241
97 HE22 GLN 13 HE22 GLN 13 58.511 86.485 67.971
98 H GLN 14 H GLN 14 62.802 88.608 69.456
99 HA GLN 14 HA GLN 14 62.975 91.417 70.100
100 HB2 GLN 14 HB2 GLN 14 65.326 91.448 70.850
101 HB3 GLN 14 HB3 GLN 14 64.299 90.611 71.992
102 HG2 GLN 14 HG2 GLN 14 65.087 88.438 71.250
103 HG3 GLN 14 HG3 GLN 14 65.971 89.168 69.901
104 HE21 GLN 14 HE21 GLN 14 67.822 90.318 73.295
105 HE22 GLN 14 HE22 GLN 14 66.092 90.611 73.220
106 H ARG 15 H ARG 15 64.592 92.568 68.848
107 HA ARG 15 HA ARG 15 65.596 93.150 66.898
108 HB2 ARG 15 HB2 ARG 15 66.900 90.464 67.415
109 HB3 ARG 15 HB3 ARG 15 67.581 91.762 66.417
110 HG2 ARG 15 HG2 ARG 15 67.561 93.277 68.391
111 HG3 ARG 15 HG3 ARG 15 67.030 91.938 69.402
112 HD2 ARG 15 HD2 ARG 15 69.654 92.004 67.861
113 HD3 ARG 15 HD3 ARG 15 69.454 92.427 69.556
114 HE ARG 15 HE ARG 15 69.133 90.203 70.157
115 HH11 ARG 15 HH11 ARG 15 68.832 88.102 69.882
116 HH12 ARG 15 HH12 ARG 15 69.241 87.337 68.346
117 HH21 ARG 15 HH21 ARG 15 69.614 90.329 66.628
118 HH22 ARG 15 HH22 ARG 15 69.131 88.669 66.452
119 H LYS 16 H LYS 16 66.661 90.909 64.993
120 HA LYS 16 HA LYS 16 64.393 91.284 63.162
121 HB2 LYS 16 HB2 LYS 16 66.005 90.968 61.422
122 HB3 LYS 16 HB3 LYS 16 66.692 92.052 62.628
123 HG2 LYS 16 HG2 LYS 16 67.950 90.111 63.595
124 HG3 LYS 16 HG3 LYS 16 67.309 89.073 62.303
125 HD2 LYS 16 HD2 LYS 16 68.355 90.640 60.624
126 HD3 LYS 16 HD3 LYS 16 69.102 91.502 61.973
127 HE2 LYS 16 HE2 LYS 16 69.565 88.602 61.137
128 HE3 LYS 16 HE3 LYS 16 70.709 89.945 61.007
129 HZ1 LYS 16 HZ1 LYS 16 71.209 88.586 62.916
130 HZ2 LYS 16 HZ2 LYS 16 70.668 90.039 63.482
131 HZ3 LYS 16 HZ3 LYS 16 69.692 88.717 63.503
132 H GLU 17 H GLU 17 65.459 88.594 65.006
133 HA GLU 17 HA GLU 17 63.982 86.711 63.221
134 HB2 GLU 17 HB2 GLU 17 65.826 85.261 63.028
135 HB3 GLU 17 HB3 GLU 17 66.445 86.850 62.635
136 HG2 GLU 17 HG2 GLU 17 66.857 85.318 65.244
137 HG3 GLU 17 HG3 GLU 17 68.044 85.597 63.984
138 H SER 18 H SER 18 64.610 87.638 66.491
139 HA SER 18 HA SER 18 64.304 84.882 67.520
140 HB2 SER 18 HB2 SER 18 64.930 87.485 68.930
141 HB3 SER 18 HB3 SER 18 64.981 85.867 69.628
142 HG SER 18 HG SER 18 66.622 86.913 67.514
143 HN1 NH2 19 HN1 NH2 19 62.593 84.111 68.664
144 HN2 NH2 19 HN2 NH2 19 61.207 85.074 69.131
145 H12 FKZ 101 H12 OCT 20 60.621 68.389 77.280
146 H11 FKZ 101 H11 OCT 20 62.127 68.520 76.364
147 H22 FKZ 101 H22 OCT 20 61.812 69.022 79.381
148 H21 FKZ 101 H21 OCT 20 61.861 70.282 78.167
149 H31 FKZ 101 H31 OCT 20 64.044 70.035 79.325
150 H32 FKZ 101 H32 OCT 20 64.153 68.349 78.860
151 H41 FKZ 101 H41 OCT 20 65.608 69.736 77.467
152 H42 FKZ 101 H42 OCT 20 64.397 68.995 76.449
153 H52 FKZ 101 H52 OCT 20 64.145 71.854 77.512
154 H51 FKZ 101 H51 OCT 20 63.110 71.086 76.309
155 H62 FKZ 101 H62 OCT 20 65.135 70.856 74.781
156 H61 FKZ 101 H61 OCT 20 66.097 71.726 75.976
157 H72 FKZ 101 H72 OCT 20 64.582 73.716 75.773
158 H71 FKZ 101 H71 OCT 20 63.593 72.860 74.590
159 H81 FKZ 101 H81 OCT 20 65.221 74.438 73.497
160 H83 FKZ 101 H83 OCT 20 65.523 72.761 72.999
161 H82 FKZ 101 H82 OCT 20 66.573 73.543 74.205
162 H FKZ 101 H OCT 20 61.432 66.430 78.410
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 59.584 58.155 81.896
2 H2 GLY 1 H2 GLY 1 58.188 58.972 81.588
3 H3 GLY 1 H3 GLY 1 58.806 58.960 83.110
4 HA2 GLY 1 HA2 GLY 1 59.257 61.068 82.100
5 HA3 GLY 1 HA3 GLY 1 60.778 60.161 82.326
6 H SER 2 H SER 2 60.238 62.266 80.347
7 HA SER 2 HA SER 2 60.900 60.881 77.863
8 HB2 SER 2 HB2 SER 2 58.867 61.751 76.656
9 HB3 SER 2 HB3 SER 2 58.577 60.419 77.778
10 HG SER 2 HG SER 2 57.025 61.761 78.322
11 H ASP 3 H ASP 3 62.137 62.057 76.655
12 HA ASP 3 HA ASP 3 61.897 64.733 75.990
13 HB2 ASP 3 HB2 ASP 3 62.694 65.026 78.477
14 HB3 ASP 3 HB3 ASP 3 64.254 64.666 77.814
15 H PHE 4 H PHE 4 63.622 65.470 74.672
16 HA PHE 4 HA PHE 4 65.111 63.333 73.227
17 HB2 PHE 4 HB2 PHE 4 64.967 64.905 71.350
18 HB3 PHE 4 HB3 PHE 4 63.361 64.615 71.996
19 HD1 PHE 4 HD1 PHE 4 62.323 66.408 73.606
20 HD2 PHE 4 HD2 PHE 4 65.879 67.117 71.256
21 HE1 PHE 4 HE1 PHE 4 62.088 68.840 73.962
22 HE2 PHE 4 HE2 PHE 4 65.646 69.548 71.645
23 HZ PHE 4 HZ PHE 4 63.753 70.416 73.004
24 H LEU 5 H LEU 5 65.394 66.286 74.993
25 HA LEU 5 HA LEU 5 66.970 67.425 75.987
26 HB2 LEU 5 HB2 LEU 5 68.794 65.076 75.302
27 HB3 LEU 5 HB3 LEU 5 69.276 66.441 76.273
28 HG LEU 5 HG LEU 5 68.767 64.821 77.801
29 HD11 LEU 5 HD11 LEU 5 67.717 67.105 78.237
30 HD12 LEU 5 HD12 LEU 5 66.162 66.398 77.747
31 HD13 LEU 5 HD13 LEU 5 67.035 65.757 79.140
32 HD21 LEU 5 HD21 LEU 5 66.801 63.437 77.933
33 HD22 LEU 5 HD22 LEU 5 66.079 64.235 76.529
34 HD23 LEU 5 HD23 LEU 5 67.538 63.256 76.331
35 H SER 6 H SER 6 69.021 68.665 75.860
36 HA SER 6 HA SER 6 68.450 70.209 73.609
37 HB2 SER 6 HB2 SER 6 69.293 71.108 75.774
38 HB3 SER 6 HB3 SER 6 70.922 70.537 75.328
39 HG SER 6 HG SER 6 70.804 72.615 74.567
40 HA PRO 7 HA PRO 7 71.397 68.308 70.752
41 HB2 PRO 7 HB2 PRO 7 70.844 69.680 68.455
42 HB3 PRO 7 HB3 PRO 7 69.655 68.560 69.190
43 HG2 PRO 7 HG2 PRO 7 69.832 71.575 69.554
44 HG3 PRO 7 HG3 PRO 7 68.398 70.608 69.072
45 HD2 PRO 7 HD2 PRO 7 68.841 71.347 71.657
46 HD3 PRO 7 HD3 PRO 7 68.122 69.757 71.254
47 H GLU 8 H GLU 8 71.989 70.902 72.414
48 HA GLU 8 HA GLU 8 74.607 71.376 71.151
49 HB2 GLU 8 HB2 GLU 8 73.034 73.760 72.189
50 HB3 GLU 8 HB3 GLU 8 74.560 73.731 71.328
51 HG2 GLU 8 HG2 GLU 8 73.309 72.786 69.310
52 HG3 GLU 8 HG3 GLU 8 71.815 73.113 70.188
53 H HIS 9 H HIS 9 76.151 72.149 72.520
54 HA HIS 9 HA HIS 9 77.289 72.653 74.380
55 HB2 HIS 9 HB2 HIS 9 74.996 73.958 74.678
56 HB3 HIS 9 HB3 HIS 9 74.765 72.837 76.020
57 HD2 HIS 9 HD2 HIS 9 77.107 75.546 74.650
58 HE1 HIS 9 HE1 HIS 9 77.937 75.266 78.812
59 HE2 HIS 9 HE2 HIS 9 78.417 76.586 76.690
60 H GLN 10 H GLN 10 77.458 72.217 76.838
61 HA GLN 10 HA GLN 10 77.313 69.473 77.632
62 HB2 GLN 10 HB2 GLN 10 79.660 68.932 77.181
63 HB3 GLN 10 HB3 GLN 10 78.765 69.117 75.694
64 HG2 GLN 10 HG2 GLN 10 79.771 71.474 75.522
65 HG3 GLN 10 HG3 GLN 10 80.796 71.047 76.905
66 HE21 GLN 10 HE21 GLN 10 82.586 68.493 74.973
67 HE22 GLN 10 HE22 GLN 10 82.061 68.897 76.608
68 H ARG 11 H ARG 11 78.321 69.161 79.679
69 HA ARG 11 HA ARG 11 79.157 71.660 81.039
70 HB2 ARG 11 HB2 ARG 11 77.309 70.405 82.024
71 HB3 ARG 11 HB3 ARG 11 78.289 68.947 82.122
72 HG2 ARG 11 HG2 ARG 11 78.014 70.185 84.281
73 HG3 ARG 11 HG3 ARG 11 79.704 69.918 83.827
74 HD2 ARG 11 HD2 ARG 11 79.970 72.168 83.081
75 HD3 ARG 11 HD3 ARG 11 78.234 72.504 83.205
76 HE ARG 11 HE ARG 11 78.909 71.845 85.780
77 HH11 ARG 11 HH11 ARG 11 80.438 74.087 83.486
78 HH12 ARG 11 HH12 ARG 11 80.715 75.284 84.726
79 HH21 ARG 11 HH21 ARG 11 79.323 73.493 87.316
80 HH22 ARG 11 HH22 ARG 11 80.005 75.014 86.761
81 H VAL 12 H VAL 12 81.273 72.014 80.749
82 HA VAL 12 HA VAL 12 83.304 69.893 80.717
83 HB VAL 12 HB VAL 12 83.643 72.907 81.011
84 HG11 VAL 12 HG11 VAL 12 85.653 70.739 80.274
85 HG12 VAL 12 HG12 VAL 12 85.953 72.489 80.182
86 HG13 VAL 12 HG13 VAL 12 85.653 71.737 81.746
87 HG21 VAL 12 HG21 VAL 12 82.546 72.360 78.855
88 HG22 VAL 12 HG22 VAL 12 84.212 72.883 78.596
89 HG23 VAL 12 HG23 VAL 12 83.804 71.154 78.513
90 H GLN 13 H GLN 13 84.797 69.454 82.433
91 HA GLN 13 HA GLN 13 83.453 69.280 84.961
92 HB2 GLN 13 HB2 GLN 13 86.257 68.495 84.104
93 HB3 GLN 13 HB3 GLN 13 85.598 68.180 85.690
94 HG2 GLN 13 HG2 GLN 13 85.429 66.201 84.275
95 HG3 GLN 13 HG3 GLN 13 83.855 66.757 84.832
96 HE21 GLN 13 HE21 GLN 13 84.603 67.356 80.789
97 HE22 GLN 13 HE22 GLN 13 85.905 67.677 81.911
98 H GLN 14 H GLN 14 85.515 71.796 83.815
99 HA GLN 14 HA GLN 14 86.297 72.905 86.344
100 HB2 GLN 14 HB2 GLN 14 86.622 74.975 85.082
101 HB3 GLN 14 HB3 GLN 14 87.263 73.604 84.208
102 HG2 GLN 14 HG2 GLN 14 86.238 74.677 82.476
103 HG3 GLN 14 HG3 GLN 14 84.888 73.665 82.962
104 HE21 GLN 14 HE21 GLN 14 83.102 74.723 84.176
105 HE22 GLN 14 HE22 GLN 14 82.900 76.461 84.091
106 H ARG 15 H ARG 15 85.403 74.799 87.377
107 HA ARG 15 HA ARG 15 82.478 75.347 87.004
108 HB2 ARG 15 HB2 ARG 15 84.073 74.885 89.528
109 HB3 ARG 15 HB3 ARG 15 82.927 76.188 89.525
110 HG2 ARG 15 HG2 ARG 15 81.739 74.499 90.452
111 HG3 ARG 15 HG3 ARG 15 81.124 74.555 88.816
112 HD2 ARG 15 HD2 ARG 15 83.248 72.580 89.739
113 HD3 ARG 15 HD3 ARG 15 81.511 72.283 89.908
114 HE ARG 15 HE ARG 15 82.508 72.950 87.211
115 HH11 ARG 15 HH11 ARG 15 81.438 70.244 89.301
116 HH12 ARG 15 HH12 ARG 15 81.048 69.302 87.875
117 HH21 ARG 15 HH21 ARG 15 81.353 70.024 85.889
118 HH22 ARG 15 HH22 ARG 15 82.074 71.605 85.567
119 H LYS 16 H LYS 16 81.994 77.455 86.796
120 HA LYS 16 HA LYS 16 83.571 79.615 87.867
121 HB2 LYS 16 HB2 LYS 16 84.329 80.702 85.871
122 HB3 LYS 16 HB3 LYS 16 84.961 79.065 85.839
123 HG2 LYS 16 HG2 LYS 16 83.265 78.371 84.220
124 HG3 LYS 16 HG3 LYS 16 82.461 79.939 84.295
125 HD2 LYS 16 HD2 LYS 16 84.502 81.063 83.501
126 HD3 LYS 16 HD3 LYS 16 85.317 79.510 83.363
127 HE2 LYS 16 HE2 LYS 16 82.803 80.339 81.841
128 HE3 LYS 16 HE3 LYS 16 84.447 80.390 81.220
129 HZ1 LYS 16 HZ1 LYS 16 82.880 78.000 81.829
130 HZ2 LYS 16 HZ2 LYS 16 83.599 78.448 80.420
131 HZ3 LYS 16 HZ3 LYS 16 84.512 77.922 81.692
132 H GLU 17 H GLU 17 80.721 78.623 87.655
133 HA GLU 17 HA GLU 17 79.355 81.119 86.852
134 HB2 GLU 17 HB2 GLU 17 78.132 80.114 85.040
135 HB3 GLU 17 HB3 GLU 17 79.856 79.956 84.738
136 HG2 GLU 17 HG2 GLU 17 77.947 77.752 85.626
137 HG3 GLU 17 HG3 GLU 17 78.726 77.937 84.060
138 H SER 18 H SER 18 79.138 77.867 88.185
139 HA SER 18 HA SER 18 76.878 78.432 89.929
140 HB2 SER 18 HB2 SER 18 76.489 76.653 87.487
141 HB3 SER 18 HB3 SER 18 75.405 76.656 88.888
142 HG SER 18 HG SER 18 76.033 79.113 87.753
143 HN1 NH2 19 HN1 NH2 19 79.308 76.154 88.621
144 HN2 NH2 19 HN2 NH2 19 79.171 75.038 89.968
145 H12 FKZ 101 H12 OCT 20 62.006 69.420 77.995
146 H11 FKZ 101 H11 OCT 20 62.867 69.049 76.488
147 H22 FKZ 101 H22 OCT 20 64.960 68.643 78.089
148 H21 FKZ 101 H21 OCT 20 64.036 69.572 79.269
149 H31 FKZ 101 H31 OCT 20 64.743 70.505 76.417
150 H32 FKZ 101 H32 OCT 20 63.907 71.484 77.627
151 H41 FKZ 101 H41 OCT 20 65.922 71.438 79.098
152 H42 FKZ 101 H42 OCT 20 66.747 70.350 77.978
153 H52 FKZ 101 H52 OCT 20 65.822 73.200 77.283
154 H51 FKZ 101 H51 OCT 20 66.651 72.097 76.182
155 H62 FKZ 101 H62 OCT 20 68.632 72.049 77.775
156 H61 FKZ 101 H61 OCT 20 67.807 73.224 78.799
157 H72 FKZ 101 H72 OCT 20 67.782 74.884 76.927
158 H71 FKZ 101 H71 OCT 20 68.526 73.707 75.845
159 H81 FKZ 101 H81 OCT 20 70.239 75.292 76.722
160 H83 FKZ 101 H83 OCT 20 70.580 73.646 77.293
161 H82 FKZ 101 H82 OCT 20 69.836 74.831 78.392
162 H FKZ 101 H OCT 20 62.100 67.115 78.573
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 62.359 61.659 81.559
2 H2 GLY 1 H2 GLY 1 62.472 60.016 81.524
3 H3 GLY 1 H3 GLY 1 61.648 60.769 82.737
4 HA2 GLY 1 HA2 GLY 1 60.138 59.789 81.123
5 HA3 GLY 1 HA3 GLY 1 59.986 61.554 81.222
6 H SER 2 H SER 2 58.996 60.716 78.991
7 HA SER 2 HA SER 2 60.877 60.092 76.898
8 HB2 SER 2 HB2 SER 2 58.052 61.202 76.679
9 HB3 SER 2 HB3 SER 2 58.955 60.354 75.407
10 HG SER 2 HG SER 2 57.432 59.054 76.603
11 H ASP 3 H ASP 3 62.456 61.460 76.390
12 HA ASP 3 HA ASP 3 61.857 64.097 75.351
13 HB2 ASP 3 HB2 ASP 3 62.004 64.279 77.951
14 HB3 ASP 3 HB3 ASP 3 63.726 64.243 77.651
15 H PHE 4 H PHE 4 63.606 65.221 74.519
16 HA PHE 4 HA PHE 4 65.667 63.469 73.281
17 HB2 PHE 4 HB2 PHE 4 65.459 65.019 71.391
18 HB3 PHE 4 HB3 PHE 4 63.865 64.414 71.813
19 HD1 PHE 4 HD1 PHE 4 62.265 65.924 73.165
20 HD2 PHE 4 HD2 PHE 4 66.001 67.364 71.542
21 HE1 PHE 4 HE1 PHE 4 61.536 68.265 73.520
22 HE2 PHE 4 HE2 PHE 4 65.272 69.693 71.946
23 HZ PHE 4 HZ PHE 4 63.028 70.149 72.919
24 H LEU 5 H LEU 5 65.159 66.358 75.141
25 HA LEU 5 HA LEU 5 66.435 67.836 76.192
26 HB2 LEU 5 HB2 LEU 5 68.610 65.708 75.828
27 HB3 LEU 5 HB3 LEU 5 68.788 67.139 76.808
28 HG LEU 5 HG LEU 5 68.332 65.522 78.331
29 HD11 LEU 5 HD11 LEU 5 66.265 66.164 79.369
30 HD12 LEU 5 HD12 LEU 5 66.978 67.593 78.611
31 HD13 LEU 5 HD13 LEU 5 65.592 66.759 77.859
32 HD21 LEU 5 HD21 LEU 5 67.560 63.720 76.873
33 HD22 LEU 5 HD22 LEU 5 66.550 63.883 78.317
34 HD23 LEU 5 HD23 LEU 5 65.954 64.478 76.760
35 H SER 6 H SER 6 68.165 69.347 76.264
36 HA SER 6 HA SER 6 69.890 69.529 74.042
37 HB2 SER 6 HB2 SER 6 67.887 70.479 72.917
38 HB3 SER 6 HB3 SER 6 67.739 71.684 74.210
39 HG SER 6 HG SER 6 68.804 72.512 72.321
40 HA PRO 7 HA PRO 7 72.079 72.025 77.088
41 HB2 PRO 7 HB2 PRO 7 74.343 72.704 75.745
42 HB3 PRO 7 HB3 PRO 7 73.971 71.000 76.144
43 HG2 PRO 7 HG2 PRO 7 73.340 72.466 73.546
44 HG3 PRO 7 HG3 PRO 7 74.250 70.933 73.746
45 HD2 PRO 7 HD2 PRO 7 71.611 70.915 73.189
46 HD3 PRO 7 HD3 PRO 7 72.313 69.734 74.331
47 H GLU 8 H GLU 8 70.015 73.249 75.245
48 HA GLU 8 HA GLU 8 70.836 76.111 75.374
49 HB2 GLU 8 HB2 GLU 8 69.087 74.899 73.226
50 HB3 GLU 8 HB3 GLU 8 69.795 76.514 73.291
51 HG2 GLU 8 HG2 GLU 8 72.099 75.281 73.200
52 HG3 GLU 8 HG3 GLU 8 71.171 73.883 72.666
53 H HIS 9 H HIS 9 68.913 77.534 75.085
54 HA HIS 9 HA HIS 9 66.888 78.358 75.701
55 HB2 HIS 9 HB2 HIS 9 66.471 76.206 74.205
56 HB3 HIS 9 HB3 HIS 9 65.768 75.564 75.676
57 HD2 HIS 9 HD2 HIS 9 65.058 77.546 72.641
58 HE1 HIS 9 HE1 HIS 9 61.860 78.617 75.227
59 HE2 HIS 9 HE2 HIS 9 62.764 78.782 72.837
60 H GLN 10 H GLN 10 64.889 78.049 77.191
61 HA GLN 10 HA GLN 10 65.796 77.531 79.969
62 HB2 GLN 10 HB2 GLN 10 65.279 80.318 78.810
63 HB3 GLN 10 HB3 GLN 10 65.511 79.931 80.489
64 HG2 GLN 10 HG2 GLN 10 67.585 80.722 80.023
65 HG3 GLN 10 HG3 GLN 10 67.849 79.015 79.807
66 HE21 GLN 10 HE21 GLN 10 69.449 80.290 76.801
67 HE22 GLN 10 HE22 GLN 10 69.761 79.738 78.447
68 H ARG 11 H ARG 11 64.061 78.463 81.536
69 HA ARG 11 HA ARG 11 61.339 78.296 80.316
70 HB2 ARG 11 HB2 ARG 11 62.102 77.794 83.212
71 HB3 ARG 11 HB3 ARG 11 60.494 77.668 82.507
72 HG2 ARG 11 HG2 ARG 11 62.904 75.912 81.917
73 HG3 ARG 11 HG3 ARG 11 61.421 75.449 82.748
74 HD2 ARG 11 HD2 ARG 11 60.127 75.546 80.727
75 HD3 ARG 11 HD3 ARG 11 61.440 76.300 79.834
76 HE ARG 11 HE ARG 11 61.338 73.493 80.766
77 HH11 ARG 11 HH11 ARG 11 62.958 75.888 78.682
78 HH12 ARG 11 HH12 ARG 11 64.142 74.714 78.152
79 HH21 ARG 11 HH21 ARG 11 63.986 72.569 78.737
80 HH22 ARG 11 HH22 ARG 11 62.793 72.050 79.901
81 H VAL 12 H VAL 12 59.833 79.697 80.868
82 HA VAL 12 HA VAL 12 58.922 81.725 80.947
83 HB VAL 12 HB VAL 12 61.152 82.838 82.689
84 HG11 VAL 12 HG11 VAL 12 58.241 83.627 82.277
85 HG12 VAL 12 HG12 VAL 12 59.393 84.427 83.368
86 HG13 VAL 12 HG13 VAL 12 59.639 84.482 81.613
87 HG21 VAL 12 HG21 VAL 12 59.612 82.343 84.606
88 HG22 VAL 12 HG22 VAL 12 58.601 81.380 83.506
89 HG23 VAL 12 HG23 VAL 12 60.264 80.875 83.869
90 H GLN 13 H GLN 13 58.911 82.653 79.076
91 HA GLN 13 HA GLN 13 61.416 83.556 77.700
92 HB2 GLN 13 HB2 GLN 13 58.703 82.521 76.815
93 HB3 GLN 13 HB3 GLN 13 59.588 83.625 75.770
94 HG2 GLN 13 HG2 GLN 13 60.031 81.330 75.131
95 HG3 GLN 13 HG3 GLN 13 61.487 82.168 75.635
96 HE21 GLN 13 HE21 GLN 13 62.278 79.652 77.995
97 HE22 GLN 13 HE22 GLN 13 62.770 81.154 77.210
98 H GLN 14 H GLN 14 58.559 84.770 79.306
99 HA GLN 14 HA GLN 14 58.984 87.458 78.066
100 HB2 GLN 14 HB2 GLN 14 56.865 85.924 77.534
101 HB3 GLN 14 HB3 GLN 14 56.330 86.460 79.127
102 HG2 GLN 14 HG2 GLN 14 56.847 88.857 78.248
103 HG3 GLN 14 HG3 GLN 14 56.961 88.126 76.659
104 HE21 GLN 14 HE21 GLN 14 53.534 89.478 77.091
105 HE22 GLN 14 HE22 GLN 14 55.167 90.126 77.160
106 H ARG 15 H ARG 15 59.039 89.209 79.403
107 HA ARG 15 HA ARG 15 59.166 90.508 81.228
108 HB2 ARG 15 HB2 ARG 15 56.809 88.803 82.136
109 HB3 ARG 15 HB3 ARG 15 57.286 90.309 82.901
110 HG2 ARG 15 HG2 ARG 15 56.359 90.043 80.025
111 HG3 ARG 15 HG3 ARG 15 55.416 90.643 81.382
112 HD2 ARG 15 HD2 ARG 15 56.948 92.537 81.673
113 HD3 ARG 15 HD3 ARG 15 57.966 91.950 80.347
114 HE ARG 15 HE ARG 15 55.351 92.187 79.332
115 HH11 ARG 15 HH11 ARG 15 54.721 93.787 78.073
116 HH12 ARG 15 HH12 ARG 15 55.565 95.349 78.100
117 HH21 ARG 15 HH21 ARG 15 57.206 95.708 79.469
118 HH22 ARG 15 HH22 ARG 15 57.758 94.490 80.610
119 H LYS 16 H LYS 16 60.562 87.668 81.498
120 HA LYS 16 HA LYS 16 60.698 87.124 84.257
121 HB2 LYS 16 HB2 LYS 16 62.528 85.715 83.754
122 HB3 LYS 16 HB3 LYS 16 61.440 85.660 82.377
123 HG2 LYS 16 HG2 LYS 16 62.932 87.327 81.210
124 HG3 LYS 16 HG3 LYS 16 64.056 87.195 82.571
125 HD2 LYS 16 HD2 LYS 16 64.105 84.678 82.155
126 HD3 LYS 16 HD3 LYS 16 63.180 84.984 80.673
127 HE2 LYS 16 HE2 LYS 16 65.951 86.061 81.353
128 HE3 LYS 16 HE3 LYS 16 65.585 84.781 80.195
129 HZ1 LYS 16 HZ1 LYS 16 65.897 86.829 79.048
130 HZ2 LYS 16 HZ2 LYS 16 64.307 86.444 78.909
131 HZ3 LYS 16 HZ3 LYS 16 64.787 87.622 79.953
132 H GLU 17 H GLU 17 62.422 89.595 82.502
133 HA GLU 17 HA GLU 17 63.480 90.669 85.095
134 HB2 GLU 17 HB2 GLU 17 65.237 91.748 83.906
135 HB3 GLU 17 HB3 GLU 17 65.276 90.041 83.525
136 HG2 GLU 17 HG2 GLU 17 64.318 92.301 81.705
137 HG3 GLU 17 HG3 GLU 17 65.811 91.392 81.568
138 H SER 18 H SER 18 61.984 91.433 81.977
139 HA SER 18 HA SER 18 61.592 94.237 82.547
140 HB2 SER 18 HB2 SER 18 60.606 94.137 80.210
141 HB3 SER 18 HB3 SER 18 62.276 93.594 80.374
142 HG SER 18 HG SER 18 61.683 91.493 80.164
143 HN1 NH2 19 HN1 NH2 19 59.783 91.912 83.912
144 HN2 NH2 19 HN2 NH2 19 58.208 92.674 83.817
145 H12 FKZ 101 H12 OCT 20 60.151 68.054 76.562
146 H11 FKZ 101 H11 OCT 20 61.713 68.115 75.732
147 H22 FKZ 101 H22 OCT 20 62.719 68.749 78.091
148 H21 FKZ 101 H21 OCT 20 61.054 69.050 78.565
149 H31 FKZ 101 H31 OCT 20 60.945 70.553 76.373
150 H32 FKZ 101 H32 OCT 20 61.727 71.180 77.812
151 H41 FKZ 101 H41 OCT 20 63.969 70.524 76.949
152 H42 FKZ 101 H42 OCT 20 63.244 69.781 75.529
153 H52 FKZ 101 H52 OCT 20 63.007 72.767 76.225
154 H51 FKZ 101 H51 OCT 20 62.352 71.983 74.786
155 H62 FKZ 101 H62 OCT 20 64.761 71.269 74.189
156 H61 FKZ 101 H61 OCT 20 65.320 72.263 75.532
157 H72 FKZ 101 H72 OCT 20 64.244 74.282 74.473
158 H71 FKZ 101 H71 OCT 20 63.676 73.283 73.143
159 H81 FKZ 101 H81 OCT 20 66.028 72.750 72.484
160 H83 FKZ 101 H83 OCT 20 66.639 73.734 73.839
161 H82 FKZ 101 H82 OCT 20 65.752 74.508 72.510
162 H FKZ 101 H OCT 20 60.849 66.081 77.686
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 55.836 63.539 81.748
2 H2 GLY 1 H2 GLY 1 57.155 64.439 81.364
3 H3 GLY 1 H3 GLY 1 57.348 62.946 82.006
4 HA2 GLY 1 HA2 GLY 1 56.389 61.918 80.053
5 HA3 GLY 1 HA3 GLY 1 56.190 63.543 79.362
6 H SER 2 H SER 2 57.531 62.347 77.645
7 HA SER 2 HA SER 2 60.262 61.682 78.245
8 HB2 SER 2 HB2 SER 2 60.421 61.359 75.783
9 HB3 SER 2 HB3 SER 2 59.039 60.544 76.509
10 HG SER 2 HG SER 2 58.560 61.712 74.513
11 H ASP 3 H ASP 3 62.140 62.467 77.027
12 HA ASP 3 HA ASP 3 62.011 65.101 75.875
13 HB2 ASP 3 HB2 ASP 3 62.465 65.509 78.390
14 HB3 ASP 3 HB3 ASP 3 64.094 64.992 77.999
15 H PHE 4 H PHE 4 63.510 65.492 74.477
16 HA PHE 4 HA PHE 4 65.086 63.310 73.282
17 HB2 PHE 4 HB2 PHE 4 65.019 64.884 71.362
18 HB3 PHE 4 HB3 PHE 4 63.405 64.560 71.978
19 HD1 PHE 4 HD1 PHE 4 62.212 66.335 73.420
20 HD2 PHE 4 HD2 PHE 4 65.973 67.105 71.452
21 HE1 PHE 4 HE1 PHE 4 61.971 68.746 73.884
22 HE2 PHE 4 HE2 PHE 4 65.696 69.530 71.894
23 HZ PHE 4 HZ PHE 4 63.709 70.346 73.139
24 H LEU 5 H LEU 5 65.473 66.293 74.955
25 HA LEU 5 HA LEU 5 67.040 67.337 76.005
26 HB2 LEU 5 HB2 LEU 5 68.931 65.103 75.160
27 HB3 LEU 5 HB3 LEU 5 69.408 66.450 76.162
28 HG LEU 5 HG LEU 5 68.996 64.779 77.687
29 HD11 LEU 5 HD11 LEU 5 67.175 65.533 79.064
30 HD12 LEU 5 HD12 LEU 5 67.904 66.945 78.284
31 HD13 LEU 5 HD13 LEU 5 66.347 66.284 77.710
32 HD21 LEU 5 HD21 LEU 5 67.776 63.218 76.160
33 HD22 LEU 5 HD22 LEU 5 67.094 63.313 77.795
34 HD23 LEU 5 HD23 LEU 5 66.295 64.154 76.471
35 H SER 6 H SER 6 68.980 68.643 75.925
36 HA SER 6 HA SER 6 68.253 70.457 73.946
37 HB2 SER 6 HB2 SER 6 69.177 71.101 76.108
38 HB3 SER 6 HB3 SER 6 70.780 70.502 75.625
39 HG SER 6 HG SER 6 69.296 72.727 74.720
40 HA PRO 7 HA PRO 7 71.226 69.264 70.706
41 HB2 PRO 7 HB2 PRO 7 70.368 70.848 68.681
42 HB3 PRO 7 HB3 PRO 7 69.361 69.508 69.294
43 HG2 PRO 7 HG2 PRO 7 69.210 72.443 70.062
44 HG3 PRO 7 HG3 PRO 7 67.879 71.375 69.527
45 HD2 PRO 7 HD2 PRO 7 68.427 71.829 72.172
46 HD3 PRO 7 HD3 PRO 7 67.788 70.267 71.580
47 H GLU 8 H GLU 8 71.674 71.368 72.884
48 HA GLU 8 HA GLU 8 73.648 73.158 71.550
49 HB2 GLU 8 HB2 GLU 8 71.743 74.147 73.696
50 HB3 GLU 8 HB3 GLU 8 72.763 75.081 72.611
51 HG2 GLU 8 HG2 GLU 8 71.306 74.283 70.687
52 HG3 GLU 8 HG3 GLU 8 70.238 73.533 71.884
53 H HIS 9 H HIS 9 75.018 74.273 73.118
54 HA HIS 9 HA HIS 9 76.378 74.432 74.963
55 HB2 HIS 9 HB2 HIS 9 73.905 74.758 75.769
56 HB3 HIS 9 HB3 HIS 9 74.122 73.209 76.570
57 HD2 HIS 9 HD2 HIS 9 74.402 76.767 77.088
58 HE1 HIS 9 HE1 HIS 9 76.913 75.103 80.103
59 HE2 HIS 9 HE2 HIS 9 75.662 77.202 79.369
60 H GLN 10 H GLN 10 77.576 73.035 73.819
61 HA GLN 10 HA GLN 10 79.433 71.771 74.024
62 HB2 GLN 10 HB2 GLN 10 78.406 70.644 76.650
63 HB3 GLN 10 HB3 GLN 10 80.024 70.665 76.002
64 HG2 GLN 10 HG2 GLN 10 80.403 72.931 76.419
65 HG3 GLN 10 HG3 GLN 10 78.697 73.293 76.654
66 HE21 GLN 10 HE21 GLN 10 78.678 72.387 80.075
67 HE22 GLN 10 HE22 GLN 10 77.786 73.105 78.736
68 H ARG 11 H ARG 11 76.517 70.869 73.259
69 HA ARG 11 HA ARG 11 76.245 68.082 73.468
70 HB2 ARG 11 HB2 ARG 11 74.472 69.747 73.055
71 HB3 ARG 11 HB3 ARG 11 75.105 70.043 71.442
72 HG2 ARG 11 HG2 ARG 11 73.182 68.628 71.324
73 HG3 ARG 11 HG3 ARG 11 74.574 67.676 70.828
74 HD2 ARG 11 HD2 ARG 11 74.554 66.388 72.809
75 HD3 ARG 11 HD3 ARG 11 73.648 67.615 73.710
76 HE ARG 11 HE ARG 11 71.913 66.862 71.704
77 HH11 ARG 11 HH11 ARG 11 70.160 65.533 72.151
78 HH12 ARG 11 HH12 ARG 11 70.332 64.280 73.370
79 HH21 ARG 11 HH21 ARG 11 72.111 64.167 74.665
80 HH22 ARG 11 HH22 ARG 11 73.545 65.079 74.294
81 H VAL 12 H VAL 12 77.874 66.763 72.757
82 HA VAL 12 HA VAL 12 78.341 66.604 69.841
83 HB VAL 12 HB VAL 12 80.750 66.396 70.020
84 HG11 VAL 12 HG11 VAL 12 79.902 69.043 71.250
85 HG12 VAL 12 HG12 VAL 12 81.385 68.699 70.350
86 HG13 VAL 12 HG13 VAL 12 79.824 68.627 69.518
87 HG21 VAL 12 HG21 VAL 12 80.467 67.117 72.965
88 HG22 VAL 12 HG22 VAL 12 81.058 65.584 72.298
89 HG23 VAL 12 HG23 VAL 12 81.993 67.057 72.061
90 H GLN 13 H GLN 13 79.102 64.677 69.089
91 HA GLN 13 HA GLN 13 79.852 62.462 70.844
92 HB2 GLN 13 HB2 GLN 13 78.156 60.892 70.023
93 HB3 GLN 13 HB3 GLN 13 77.451 62.201 70.967
94 HG2 GLN 13 HG2 GLN 13 76.664 63.313 68.912
95 HG3 GLN 13 HG3 GLN 13 77.468 62.094 67.916
96 HE21 GLN 13 HE21 GLN 13 75.037 62.193 70.666
97 HE22 GLN 13 HE22 GLN 13 74.019 60.985 69.932
98 H GLN 14 H GLN 14 79.690 63.901 67.612
99 HA GLN 14 HA GLN 14 81.805 62.054 66.711
100 HB2 GLN 14 HB2 GLN 14 79.739 60.952 66.114
101 HB3 GLN 14 HB3 GLN 14 79.100 62.408 65.366
102 HG2 GLN 14 HG2 GLN 14 81.676 61.139 64.375
103 HG3 GLN 14 HG3 GLN 14 80.096 60.505 63.903
104 HE21 GLN 14 HE21 GLN 14 81.421 63.691 61.889
105 HE22 GLN 14 HE22 GLN 14 82.480 62.640 62.815
106 H ARG 15 H ARG 15 83.362 63.387 66.179
107 HA ARG 15 HA ARG 15 82.845 65.968 64.730
108 HB2 ARG 15 HB2 ARG 15 84.902 65.363 66.882
109 HB3 ARG 15 HB3 ARG 15 84.720 66.906 66.061
110 HG2 ARG 15 HG2 ARG 15 82.613 65.692 67.917
111 HG3 ARG 15 HG3 ARG 15 83.848 66.846 68.384
112 HD2 ARG 15 HD2 ARG 15 81.927 68.115 68.092
113 HD3 ARG 15 HD3 ARG 15 82.934 68.466 66.679
114 HE ARG 15 HE ARG 15 81.192 66.358 65.964
115 HH11 ARG 15 HH11 ARG 15 78.549 68.197 64.782
116 HH12 ARG 15 HH12 ARG 15 79.326 66.628 64.863
117 HH21 ARG 15 HH21 ARG 15 80.796 69.750 66.936
118 HH22 ARG 15 HH22 ARG 15 79.242 69.852 66.131
119 H LYS 16 H LYS 16 84.410 62.974 64.616
120 HA LYS 16 HA LYS 16 86.413 63.855 62.562
121 HB2 LYS 16 HB2 LYS 16 86.614 61.716 64.731
122 HB3 LYS 16 HB3 LYS 16 87.801 61.945 63.450
123 HG2 LYS 16 HG2 LYS 16 88.477 64.081 64.289
124 HG3 LYS 16 HG3 LYS 16 87.128 64.152 65.430
125 HD2 LYS 16 HD2 LYS 16 89.141 63.599 66.626
126 HD3 LYS 16 HD3 LYS 16 88.015 62.235 66.677
127 HE2 LYS 16 HE2 LYS 16 89.316 61.149 64.827
128 HE3 LYS 16 HE3 LYS 16 90.445 62.513 64.858
129 HZ1 LYS 16 HZ1 LYS 16 89.924 60.686 67.131
130 HZ2 LYS 16 HZ2 LYS 16 91.235 60.617 66.156
131 HZ3 LYS 16 HZ3 LYS 16 91.008 61.915 67.140
132 H GLU 17 H GLU 17 87.163 61.444 61.588
133 HA GLU 17 HA GLU 17 85.259 60.838 59.699
134 HB2 GLU 17 HB2 GLU 17 86.562 58.934 59.063
135 HB3 GLU 17 HB3 GLU 17 87.601 60.299 59.425
136 HG2 GLU 17 HG2 GLU 17 87.121 57.882 61.231
137 HG3 GLU 17 HG3 GLU 17 88.518 58.137 60.195
138 H SER 18 H SER 18 83.649 59.443 59.353
139 HA SER 18 HA SER 18 82.752 57.249 61.022
140 HB2 SER 18 HB2 SER 18 81.468 60.001 61.255
141 HB3 SER 18 HB3 SER 18 80.639 58.505 61.702
142 HG SER 18 HG SER 18 83.205 59.081 62.713
143 HN1 NH2 19 HN1 NH2 19 80.091 56.896 58.570
144 HN2 NH2 19 HN2 NH2 19 80.404 56.628 60.273
145 H12 FKZ 101 H12 OCT 20 62.071 69.808 77.211
146 H11 FKZ 101 H11 OCT 20 63.355 69.310 76.114
147 H22 FKZ 101 H22 OCT 20 63.737 69.967 79.096
148 H21 FKZ 101 H21 OCT 20 64.042 71.075 77.763
149 H31 FKZ 101 H31 OCT 20 65.557 68.495 78.403
150 H32 FKZ 101 H32 OCT 20 65.726 69.321 76.850
151 H41 FKZ 101 H41 OCT 20 66.522 71.372 77.947
152 H42 FKZ 101 H42 OCT 20 66.240 70.696 79.549
153 H52 FKZ 101 H52 OCT 20 68.145 69.375 77.567
154 H51 FKZ 101 H51 OCT 20 67.995 69.040 79.293
155 H62 FKZ 101 H62 OCT 20 68.871 71.303 79.843
156 H61 FKZ 101 H61 OCT 20 68.901 71.739 78.144
157 H72 FKZ 101 H72 OCT 20 70.505 69.609 77.876
158 H71 FKZ 101 H71 OCT 20 70.669 69.749 79.624
159 H81 FKZ 101 H81 OCT 20 71.436 72.160 79.317
160 H83 FKZ 101 H83 OCT 20 71.364 71.914 77.559
161 H82 FKZ 101 H82 OCT 20 72.515 70.987 78.527
162 H FKZ 101 H OCT 20 62.098 67.666 78.266
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 60.635 57.675 81.184
2 H2 GLY 1 H2 GLY 1 60.209 58.421 82.595
3 H3 GLY 1 H3 GLY 1 61.562 58.892 81.787
4 HA2 GLY 1 HA2 GLY 1 58.799 59.168 80.829
5 HA3 GLY 1 HA3 GLY 1 59.812 60.482 81.443
6 H SER 2 H SER 2 59.041 61.235 79.232
7 HA SER 2 HA SER 2 60.889 60.304 77.058
8 HB2 SER 2 HB2 SER 2 58.056 61.369 76.898
9 HB3 SER 2 HB3 SER 2 59.131 61.135 75.504
10 HG SER 2 HG SER 2 58.130 59.148 77.308
11 H ASP 3 H ASP 3 62.178 61.682 76.088
12 HA ASP 3 HA ASP 3 61.950 64.435 75.870
13 HB2 ASP 3 HB2 ASP 3 62.502 64.260 78.439
14 HB3 ASP 3 HB3 ASP 3 64.132 64.071 77.850
15 H PHE 4 H PHE 4 63.668 65.377 74.849
16 HA PHE 4 HA PHE 4 65.288 63.484 73.211
17 HB2 PHE 4 HB2 PHE 4 64.866 65.157 71.437
18 HB3 PHE 4 HB3 PHE 4 63.369 64.507 72.082
19 HD1 PHE 4 HD1 PHE 4 61.973 65.914 73.712
20 HD2 PHE 4 HD2 PHE 4 65.388 67.500 71.593
21 HE1 PHE 4 HE1 PHE 4 61.193 68.212 74.173
22 HE2 PHE 4 HE2 PHE 4 64.592 69.799 72.047
23 HZ PHE 4 HZ PHE 4 62.505 70.155 73.354
24 H LEU 5 H LEU 5 65.345 66.442 75.090
25 HA LEU 5 HA LEU 5 66.949 67.713 75.971
26 HB2 LEU 5 HB2 LEU 5 68.767 65.350 75.244
27 HB3 LEU 5 HB3 LEU 5 69.232 66.682 76.253
28 HG LEU 5 HG LEU 5 68.787 64.975 77.721
29 HD11 LEU 5 HD11 LEU 5 66.267 66.680 77.787
30 HD12 LEU 5 HD12 LEU 5 67.027 65.827 79.133
31 HD13 LEU 5 HD13 LEU 5 67.866 67.187 78.371
32 HD21 LEU 5 HD21 LEU 5 66.036 64.475 76.563
33 HD22 LEU 5 HD22 LEU 5 67.473 63.490 76.212
34 HD23 LEU 5 HD23 LEU 5 66.840 63.593 77.865
35 H SER 6 H SER 6 68.861 68.945 75.819
36 HA SER 6 HA SER 6 70.753 69.199 74.115
37 HB2 SER 6 HB2 SER 6 69.635 69.341 72.070
38 HB3 SER 6 HB3 SER 6 68.401 70.435 72.706
39 HG SER 6 HG SER 6 69.634 71.694 71.551
40 HA PRO 7 HA PRO 7 71.099 72.901 76.665
41 HB2 PRO 7 HB2 PRO 7 73.746 73.469 76.390
42 HB3 PRO 7 HB3 PRO 7 73.200 71.980 77.216
43 HG2 PRO 7 HG2 PRO 7 74.064 72.288 74.321
44 HG3 PRO 7 HG3 PRO 7 74.627 71.078 75.515
45 HD2 PRO 7 HD2 PRO 7 72.615 70.581 73.698
46 HD3 PRO 7 HD3 PRO 7 72.656 69.827 75.325
47 H GLU 8 H GLU 8 70.514 72.932 73.574
48 HA GLU 8 HA GLU 8 71.287 75.780 73.057
49 HB2 GLU 8 HB2 GLU 8 71.122 73.540 71.008
50 HB3 GLU 8 HB3 GLU 8 71.669 75.182 70.741
51 HG2 GLU 8 HG2 GLU 8 73.513 74.649 72.529
52 HG3 GLU 8 HG3 GLU 8 73.057 72.957 72.271
53 H HIS 9 H HIS 9 70.140 76.778 71.382
54 HA HIS 9 HA HIS 9 68.545 77.349 69.985
55 HB2 HIS 9 HB2 HIS 9 68.329 74.807 69.691
56 HB3 HIS 9 HB3 HIS 9 66.886 74.908 70.703
57 HD2 HIS 9 HD2 HIS 9 68.015 74.878 67.262
58 HE1 HIS 9 HE1 HIS 9 64.338 77.014 66.999
59 HE2 HIS 9 HE2 HIS 9 66.119 75.783 65.649
60 H GLN 10 H GLN 10 66.821 78.439 69.724
61 HA GLN 10 HA GLN 10 65.503 79.515 72.184
62 HB2 GLN 10 HB2 GLN 10 66.990 80.942 69.908
63 HB3 GLN 10 HB3 GLN 10 66.015 81.715 71.130
64 HG2 GLN 10 HG2 GLN 10 68.168 82.052 71.894
65 HG3 GLN 10 HG3 GLN 10 67.585 80.731 72.891
66 HE21 GLN 10 HE21 GLN 10 69.298 79.317 73.273
67 HE22 GLN 10 HE22 GLN 10 70.503 78.900 72.041
68 H ARG 11 H ARG 11 63.319 79.845 71.855
69 HA ARG 11 HA ARG 11 62.006 79.499 69.300
70 HB2 ARG 11 HB2 ARG 11 61.090 80.926 71.844
71 HB3 ARG 11 HB3 ARG 11 60.054 80.586 70.462
72 HG2 ARG 11 HG2 ARG 11 61.419 78.478 72.189
73 HG3 ARG 11 HG3 ARG 11 59.735 78.968 72.300
74 HD2 ARG 11 HD2 ARG 11 59.416 78.236 69.908
75 HD3 ARG 11 HD3 ARG 11 61.080 77.653 69.900
76 HE ARG 11 HE ARG 11 60.434 75.764 71.047
77 HH11 ARG 11 HH11 ARG 11 59.010 74.293 71.630
78 HH12 ARG 11 HH12 ARG 11 57.339 74.680 72.000
79 HH21 ARG 11 HH21 ARG 11 56.644 76.833 71.756
80 HH22 ARG 11 HH22 ARG 11 57.794 78.101 71.409
81 H VAL 12 H VAL 12 61.151 81.104 67.897
82 HA VAL 12 HA VAL 12 63.064 83.214 67.415
83 HB VAL 12 HB VAL 12 60.379 82.729 66.067
84 HG11 VAL 12 HG11 VAL 12 62.704 84.563 65.298
85 HG12 VAL 12 HG12 VAL 12 61.359 84.134 64.218
86 HG13 VAL 12 HG13 VAL 12 61.047 85.063 65.686
87 HG21 VAL 12 HG21 VAL 12 61.793 81.765 64.256
88 HG22 VAL 12 HG22 VAL 12 63.237 81.992 65.267
89 HG23 VAL 12 HG23 VAL 12 61.965 80.860 65.762
90 H GLN 13 H GLN 13 63.240 84.849 68.730
91 HA GLN 13 HA GLN 13 60.898 86.585 69.381
92 HB2 GLN 13 HB2 GLN 13 61.335 86.470 71.742
93 HB3 GLN 13 HB3 GLN 13 61.112 84.844 71.113
94 HG2 GLN 13 HG2 GLN 13 63.733 84.734 71.027
95 HG3 GLN 13 HG3 GLN 13 63.673 86.149 72.075
96 HE21 GLN 13 HE21 GLN 13 62.728 82.463 73.580
97 HE22 GLN 13 HE22 GLN 13 63.097 82.703 71.860
98 H GLN 14 H GLN 14 63.246 86.783 67.632
99 HA GLN 14 HA GLN 14 64.263 89.385 67.942
100 HB2 GLN 14 HB2 GLN 14 66.643 88.644 68.533
101 HB3 GLN 14 HB3 GLN 14 65.491 88.813 69.822
102 HG2 GLN 14 HG2 GLN 14 67.029 86.845 70.022
103 HG3 GLN 14 HG3 GLN 14 65.327 86.446 70.154
104 HE21 GLN 14 HE21 GLN 14 67.411 85.187 66.815
105 HE22 GLN 14 HE22 GLN 14 67.927 86.653 67.637
106 H ARG 15 H ARG 15 66.312 89.525 66.502
107 HA ARG 15 HA ARG 15 66.764 87.361 64.581
108 HB2 ARG 15 HB2 ARG 15 65.618 90.052 63.710
109 HB3 ARG 15 HB3 ARG 15 66.619 89.095 62.637
110 HG2 ARG 15 HG2 ARG 15 63.915 88.211 63.714
111 HG3 ARG 15 HG3 ARG 15 64.277 88.851 62.119
112 HD2 ARG 15 HD2 ARG 15 64.246 86.589 61.673
113 HD3 ARG 15 HD3 ARG 15 65.977 86.892 61.901
114 HE ARG 15 HE ARG 15 64.800 86.202 64.402
115 HH11 ARG 15 HH11 ARG 15 65.736 84.540 61.377
116 HH12 ARG 15 HH12 ARG 15 65.811 82.999 62.228
117 HH21 ARG 15 HH21 ARG 15 65.477 82.825 64.329
118 HH22 ARG 15 HH22 ARG 15 65.052 84.193 65.336
119 H LYS 16 H LYS 16 67.451 90.671 65.639
120 HA LYS 16 HA LYS 16 70.296 90.378 65.498
121 HB2 LYS 16 HB2 LYS 16 69.991 90.586 63.107
122 HB3 LYS 16 HB3 LYS 16 68.896 91.950 63.300
123 HG2 LYS 16 HG2 LYS 16 71.122 92.590 62.481
124 HG3 LYS 16 HG3 LYS 16 70.685 93.403 63.983
125 HD2 LYS 16 HD2 LYS 16 72.166 91.905 65.265
126 HD3 LYS 16 HD3 LYS 16 72.490 90.945 63.823
127 HE2 LYS 16 HE2 LYS 16 74.347 92.479 64.391
128 HE3 LYS 16 HE3 LYS 16 73.679 92.800 62.786
129 HZ1 LYS 16 HZ1 LYS 16 72.542 94.707 63.625
130 HZ2 LYS 16 HZ2 LYS 16 72.846 94.331 65.185
131 HZ3 LYS 16 HZ3 LYS 16 74.048 94.845 64.212
132 H GLU 17 H GLU 17 70.810 91.400 67.276
133 HA GLU 17 HA GLU 17 69.279 93.561 68.484
134 HB2 GLU 17 HB2 GLU 17 71.930 92.224 69.159
135 HB3 GLU 17 HB3 GLU 17 71.287 93.598 70.051
136 HG2 GLU 17 HG2 GLU 17 70.642 91.651 71.259
137 HG3 GLU 17 HG3 GLU 17 69.200 92.327 70.521
138 H SER 18 H SER 18 69.958 95.727 68.769
139 HA SER 18 HA SER 18 71.407 96.738 66.366
140 HB2 SER 18 HB2 SER 18 69.616 98.091 68.413
141 HB3 SER 18 HB3 SER 18 70.392 98.910 67.047
142 HG SER 18 HG SER 18 68.525 96.732 66.899
143 HN1 NH2 19 HN1 NH2 19 72.256 96.244 69.688
144 HN2 NH2 19 HN2 NH2 19 73.639 97.321 69.653
145 H12 FKZ 101 H12 OCT 20 63.764 68.407 78.284
146 H11 FKZ 101 H11 OCT 20 62.404 68.441 79.423
147 H22 FKZ 101 H22 OCT 20 60.810 68.803 77.569
148 H21 FKZ 101 H21 OCT 20 62.094 68.727 76.375
149 H31 FKZ 101 H31 OCT 20 61.118 71.044 77.383
150 H32 FKZ 101 H32 OCT 20 62.337 70.787 78.616
151 H41 FKZ 101 H41 OCT 20 62.792 70.981 75.584
152 H42 FKZ 101 H42 OCT 20 63.090 72.264 76.745
153 H52 FKZ 101 H52 OCT 20 64.655 69.621 76.570
154 H51 FKZ 101 H51 OCT 20 64.849 70.801 77.867
155 H62 FKZ 101 H62 OCT 20 66.611 71.249 76.290
156 H61 FKZ 101 H61 OCT 20 65.448 72.560 76.115
157 H72 FKZ 101 H72 OCT 20 64.440 71.216 74.130
158 H71 FKZ 101 H71 OCT 20 65.821 70.131 74.269
159 H81 FKZ 101 H81 OCT 20 67.345 72.096 73.781
160 H83 FKZ 101 H83 OCT 20 65.924 73.154 73.660
161 H82 FKZ 101 H82 OCT 20 66.161 71.842 72.491
162 H FKZ 101 H OCT 20 61.768 66.267 78.739
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 61.085 59.011 81.628
2 H2 GLY 1 H2 GLY 1 60.398 59.584 83.012
3 H3 GLY 1 H3 GLY 1 61.703 60.348 82.360
4 HA2 GLY 1 HA2 GLY 1 59.034 60.165 81.138
5 HA3 GLY 1 HA3 GLY 1 59.718 61.604 81.924
6 H SER 2 H SER 2 59.412 59.901 78.982
7 HA SER 2 HA SER 2 61.757 60.301 77.671
8 HB2 SER 2 HB2 SER 2 59.028 60.711 76.429
9 HB3 SER 2 HB3 SER 2 60.517 60.293 75.582
10 HG SER 2 HG SER 2 59.132 58.494 76.047
11 H ASP 3 H ASP 3 62.999 61.838 77.018
12 HA ASP 3 HA ASP 3 62.067 64.357 75.956
13 HB2 ASP 3 HB2 ASP 3 62.436 64.789 78.444
14 HB3 ASP 3 HB3 ASP 3 64.155 64.649 78.088
15 H PHE 4 H PHE 4 63.548 65.310 74.638
16 HA PHE 4 HA PHE 4 65.447 63.462 73.322
17 HB2 PHE 4 HB2 PHE 4 65.049 64.982 71.420
18 HB3 PHE 4 HB3 PHE 4 63.523 64.410 72.071
19 HD1 PHE 4 HD1 PHE 4 62.113 65.969 73.570
20 HD2 PHE 4 HD2 PHE 4 65.635 67.329 71.461
21 HE1 PHE 4 HE1 PHE 4 61.374 68.307 73.832
22 HE2 PHE 4 HE2 PHE 4 64.884 69.672 71.742
23 HZ PHE 4 HZ PHE 4 62.750 70.163 72.918
24 H LEU 5 H LEU 5 65.312 66.501 75.014
25 HA LEU 5 HA LEU 5 66.791 67.875 75.942
26 HB2 LEU 5 HB2 LEU 5 68.831 65.712 75.189
27 HB3 LEU 5 HB3 LEU 5 69.189 67.111 76.151
28 HG LEU 5 HG LEU 5 68.956 65.384 77.651
29 HD11 LEU 5 HD11 LEU 5 67.864 67.517 78.304
30 HD12 LEU 5 HD12 LEU 5 66.287 66.860 77.786
31 HD13 LEU 5 HD13 LEU 5 67.181 66.114 79.113
32 HD21 LEU 5 HD21 LEU 5 67.661 63.783 76.211
33 HD22 LEU 5 HD22 LEU 5 67.124 63.858 77.902
34 HD23 LEU 5 HD23 LEU 5 66.188 64.680 76.654
35 H SER 6 H SER 6 68.218 69.536 75.712
36 HA SER 6 HA SER 6 70.114 69.669 73.655
37 HB2 SER 6 HB2 SER 6 68.189 70.270 72.193
38 HB3 SER 6 HB3 SER 6 67.866 71.661 73.238
39 HG SER 6 HG SER 6 69.140 72.297 71.496
40 HA PRO 7 HA PRO 7 71.252 72.273 77.176
41 HB2 PRO 7 HB2 PRO 7 73.949 72.304 76.912
42 HB3 PRO 7 HB3 PRO 7 73.071 70.782 77.234
43 HG2 PRO 7 HG2 PRO 7 73.921 71.873 74.518
44 HG3 PRO 7 HG3 PRO 7 74.296 70.270 75.221
45 HD2 PRO 7 HD2 PRO 7 72.186 70.621 73.555
46 HD3 PRO 7 HD3 PRO 7 72.089 69.510 74.960
47 H GLU 8 H GLU 8 70.369 73.475 74.612
48 HA GLU 8 HA GLU 8 71.968 76.011 74.439
49 HB2 GLU 8 HB2 GLU 8 70.654 74.424 72.186
50 HB3 GLU 8 HB3 GLU 8 71.607 75.891 72.008
51 HG2 GLU 8 HG2 GLU 8 73.498 74.469 73.211
52 HG3 GLU 8 HG3 GLU 8 72.513 73.087 72.737
53 H HIS 9 H HIS 9 70.385 77.262 72.548
54 HA HIS 9 HA HIS 9 68.451 78.279 72.002
55 HB2 HIS 9 HB2 HIS 9 67.632 75.822 72.470
56 HB3 HIS 9 HB3 HIS 9 66.906 76.540 73.906
57 HD2 HIS 9 HD2 HIS 9 66.987 76.848 70.064
58 HE1 HIS 9 HE1 HIS 9 63.307 78.599 71.324
59 HE2 HIS 9 HE2 HIS 9 64.671 77.877 69.297
60 H GLN 10 H GLN 10 66.695 79.436 72.560
61 HA GLN 10 HA GLN 10 67.653 81.609 74.239
62 HB2 GLN 10 HB2 GLN 10 65.337 81.177 72.281
63 HB3 GLN 10 HB3 GLN 10 65.678 82.675 73.116
64 HG2 GLN 10 HG2 GLN 10 66.513 82.797 70.853
65 HG3 GLN 10 HG3 GLN 10 67.837 82.916 72.008
66 HE21 GLN 10 HE21 GLN 10 69.481 80.002 70.773
67 HE22 GLN 10 HE22 GLN 10 69.492 81.370 71.880
68 H ARG 11 H ARG 11 67.387 80.835 76.374
69 HA ARG 11 HA ARG 11 64.785 79.841 77.237
70 HB2 ARG 11 HB2 ARG 11 67.246 80.481 78.902
71 HB3 ARG 11 HB3 ARG 11 65.818 79.613 79.450
72 HG2 ARG 11 HG2 ARG 11 67.845 78.687 77.387
73 HG3 ARG 11 HG3 ARG 11 67.621 78.055 79.010
74 HD2 ARG 11 HD2 ARG 11 65.446 77.117 78.417
75 HD3 ARG 11 HD3 ARG 11 65.525 77.849 76.806
76 HE ARG 11 HE ARG 11 67.542 76.471 76.352
77 HH11 ARG 11 HH11 ARG 11 67.987 73.305 77.436
78 HH12 ARG 11 HH12 ARG 11 68.417 74.554 76.305
79 HH21 ARG 11 HH21 ARG 11 65.404 75.163 78.905
80 HH22 ARG 11 HH22 ARG 11 66.245 73.637 78.854
81 H VAL 12 H VAL 12 63.351 80.803 78.488
82 HA VAL 12 HA VAL 12 63.486 83.308 79.813
83 HB VAL 12 HB VAL 12 63.522 84.342 77.602
84 HG11 VAL 12 HG11 VAL 12 60.866 82.993 76.967
85 HG12 VAL 12 HG12 VAL 12 61.760 84.141 75.960
86 HG13 VAL 12 HG13 VAL 12 62.436 82.537 76.267
87 HG21 VAL 12 HG21 VAL 12 60.779 84.683 78.881
88 HG22 VAL 12 HG22 VAL 12 62.283 85.473 79.408
89 HG23 VAL 12 HG23 VAL 12 61.607 85.831 77.812
90 H GLN 13 H GLN 13 61.907 83.266 81.294
91 HA GLN 13 HA GLN 13 59.679 81.281 81.007
92 HB2 GLN 13 HB2 GLN 13 60.300 80.359 83.214
93 HB3 GLN 13 HB3 GLN 13 61.460 80.047 81.938
94 HG2 GLN 13 HG2 GLN 13 62.638 80.500 83.976
95 HG3 GLN 13 HG3 GLN 13 62.977 81.788 82.834
96 HE21 GLN 13 HE21 GLN 13 60.763 82.668 86.215
97 HE22 GLN 13 HE22 GLN 13 60.591 81.057 85.494
98 H GLN 14 H GLN 14 60.332 84.454 81.814
99 HA GLN 14 HA GLN 14 58.114 84.575 83.776
100 HB2 GLN 14 HB2 GLN 14 60.510 86.107 83.305
101 HB3 GLN 14 HB3 GLN 14 59.158 87.175 82.983
102 HG2 GLN 14 HG2 GLN 14 59.569 85.533 85.526
103 HG3 GLN 14 HG3 GLN 14 59.925 87.255 85.347
104 HE21 GLN 14 HE21 GLN 14 56.048 86.034 85.818
105 HE22 GLN 14 HE22 GLN 14 57.406 84.980 86.137
106 H ARG 15 H ARG 15 56.362 86.147 83.444
107 HA ARG 15 HA ARG 15 54.745 87.261 82.362
108 HB2 ARG 15 HB2 ARG 15 56.428 87.194 79.831
109 HB3 ARG 15 HB3 ARG 15 54.976 88.132 80.079
110 HG2 ARG 15 HG2 ARG 15 57.545 88.544 81.672
111 HG3 ARG 15 HG3 ARG 15 57.046 89.446 80.248
112 HD2 ARG 15 HD2 ARG 15 56.385 90.854 81.972
113 HD3 ARG 15 HD3 ARG 15 54.889 90.023 81.522
114 HE ARG 15 HE ARG 15 56.451 88.811 83.721
115 HH11 ARG 15 HH11 ARG 15 53.139 90.846 84.648
116 HH12 ARG 15 HH12 ARG 15 53.849 91.144 83.073
117 HH21 ARG 15 HH21 ARG 15 54.100 89.438 86.111
118 HH22 ARG 15 HH22 ARG 15 55.531 88.549 85.633
119 H LYS 16 H LYS 16 55.138 84.209 82.224
120 HA LYS 16 HA LYS 16 53.187 83.543 80.057
121 HB2 LYS 16 HB2 LYS 16 53.899 81.198 80.446
122 HB3 LYS 16 HB3 LYS 16 55.179 82.271 79.918
123 HG2 LYS 16 HG2 LYS 16 56.131 80.825 81.518
124 HG3 LYS 16 HG3 LYS 16 56.029 82.413 82.257
125 HD2 LYS 16 HD2 LYS 16 53.981 81.619 83.519
126 HD3 LYS 16 HD3 LYS 16 54.160 80.044 82.746
127 HE2 LYS 16 HE2 LYS 16 55.048 80.037 85.019
128 HE3 LYS 16 HE3 LYS 16 56.357 79.758 83.857
129 HZ1 LYS 16 HZ1 LYS 16 57.163 81.899 84.195
130 HZ2 LYS 16 HZ2 LYS 16 55.790 82.485 84.841
131 HZ3 LYS 16 HZ3 LYS 16 56.744 81.455 85.717
132 H GLU 17 H GLU 17 52.994 84.475 83.186
133 HA GLU 17 HA GLU 17 51.225 82.388 84.216
134 HB2 GLU 17 HB2 GLU 17 51.728 85.058 85.550
135 HB3 GLU 17 HB3 GLU 17 51.210 83.540 86.255
136 HG2 GLU 17 HG2 GLU 17 53.433 83.799 86.924
137 HG3 GLU 17 HG3 GLU 17 53.513 82.599 85.635
138 H SER 18 H SER 18 50.848 85.911 83.632
139 HA SER 18 HA SER 18 48.107 85.414 82.540
140 HB2 SER 18 HB2 SER 18 48.844 87.529 84.597
141 HB3 SER 18 HB3 SER 18 47.391 87.589 83.597
142 HG SER 18 HG SER 18 48.096 85.651 85.541
143 HN1 NH2 19 HN1 NH2 19 51.231 86.830 82.089
144 HN2 NH2 19 HN2 NH2 19 50.768 87.853 80.753
145 H12 FKZ 101 H12 OCT 20 61.248 68.987 77.717
146 H11 FKZ 101 H11 OCT 20 62.261 68.661 76.307
147 H22 FKZ 101 H22 OCT 20 64.246 68.897 78.198
148 H21 FKZ 101 H21 OCT 20 63.009 69.861 78.996
149 H31 FKZ 101 H31 OCT 20 62.815 71.194 76.770
150 H32 FKZ 101 H32 OCT 20 64.292 71.413 77.708
151 H41 FKZ 101 H41 OCT 20 65.575 69.930 76.250
152 H42 FKZ 101 H42 OCT 20 64.138 69.362 75.424
153 H52 FKZ 101 H52 OCT 20 63.738 71.654 74.492
154 H51 FKZ 101 H51 OCT 20 65.238 70.904 73.949
155 H62 FKZ 101 H62 OCT 20 66.535 72.201 75.624
156 H61 FKZ 101 H61 OCT 20 65.076 73.013 76.179
157 H72 FKZ 101 H72 OCT 20 66.115 73.167 73.288
158 H71 FKZ 101 H71 OCT 20 66.498 74.340 74.538
159 H81 FKZ 101 H81 OCT 20 64.615 75.159 73.136
160 H83 FKZ 101 H83 OCT 20 64.049 74.895 74.795
161 H82 FKZ 101 H82 OCT 20 63.659 73.725 73.508
162 H FKZ 101 H OCT 20 61.781 66.841 78.553
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 56.419 61.284 81.489
2 H2 GLY 1 H2 GLY 1 55.918 59.938 80.667
3 H3 GLY 1 H3 GLY 1 54.886 61.195 80.887
4 HA2 GLY 1 HA2 GLY 1 55.658 61.217 78.647
5 HA3 GLY 1 HA3 GLY 1 56.235 62.638 79.535
6 H SER 2 H SER 2 57.997 62.872 78.105
7 HA SER 2 HA SER 2 60.425 61.394 78.757
8 HB2 SER 2 HB2 SER 2 60.859 60.493 76.552
9 HB3 SER 2 HB3 SER 2 59.322 59.853 77.128
10 HG SER 2 HG SER 2 59.297 60.526 74.941
11 H ASP 3 H ASP 3 62.223 62.114 77.035
12 HA ASP 3 HA ASP 3 61.882 64.757 75.951
13 HB2 ASP 3 HB2 ASP 3 62.417 65.139 78.450
14 HB3 ASP 3 HB3 ASP 3 64.068 64.789 77.962
15 H PHE 4 H PHE 4 63.458 65.433 74.620
16 HA PHE 4 HA PHE 4 65.077 63.344 73.305
17 HB2 PHE 4 HB2 PHE 4 65.000 64.942 71.439
18 HB3 PHE 4 HB3 PHE 4 63.376 64.634 72.032
19 HD1 PHE 4 HD1 PHE 4 62.235 66.410 73.554
20 HD2 PHE 4 HD2 PHE 4 65.943 67.155 71.460
21 HE1 PHE 4 HE1 PHE 4 61.944 68.837 73.889
22 HE2 PHE 4 HE2 PHE 4 65.650 69.585 71.823
23 HZ PHE 4 HZ PHE 4 63.650 70.436 73.039
24 H LEU 5 H LEU 5 65.374 66.420 74.941
25 HA LEU 5 HA LEU 5 66.994 67.520 75.957
26 HB2 LEU 5 HB2 LEU 5 68.877 65.226 75.213
27 HB3 LEU 5 HB3 LEU 5 69.307 66.591 76.202
28 HG LEU 5 HG LEU 5 68.909 64.880 77.688
29 HD11 LEU 5 HD11 LEU 5 66.352 66.539 77.747
30 HD12 LEU 5 HD12 LEU 5 67.085 65.640 79.070
31 HD13 LEU 5 HD13 LEU 5 67.939 67.031 78.405
32 HD21 LEU 5 HD21 LEU 5 67.546 63.377 76.194
33 HD22 LEU 5 HD22 LEU 5 67.020 63.478 77.885
34 HD23 LEU 5 HD23 LEU 5 66.122 64.346 76.637
35 H SER 6 H SER 6 68.607 68.923 75.793
36 HA SER 6 HA SER 6 70.422 69.206 73.784
37 HB2 SER 6 HB2 SER 6 68.744 69.794 72.143
38 HB3 SER 6 HB3 SER 6 68.005 70.954 73.254
39 HG SER 6 HG SER 6 70.238 71.196 71.622
40 HA PRO 7 HA PRO 7 70.989 71.803 77.523
41 HB2 PRO 7 HB2 PRO 7 73.539 71.179 78.175
42 HB3 PRO 7 HB3 PRO 7 72.246 69.959 78.317
43 HG2 PRO 7 HG2 PRO 7 74.098 70.399 75.941
44 HG3 PRO 7 HG3 PRO 7 73.875 68.888 76.865
45 HD2 PRO 7 HD2 PRO 7 72.478 69.372 74.586
46 HD3 PRO 7 HD3 PRO 7 71.690 68.561 75.977
47 H GLU 8 H GLU 8 71.296 72.636 74.635
48 HA GLU 8 HA GLU 8 73.690 74.413 74.720
49 HB2 GLU 8 HB2 GLU 8 72.317 73.657 72.148
50 HB3 GLU 8 HB3 GLU 8 73.979 74.128 72.447
51 HG2 GLU 8 HG2 GLU 8 74.246 71.881 73.699
52 HG3 GLU 8 HG3 GLU 8 72.680 71.434 73.005
53 H HIS 9 H HIS 9 73.560 76.356 73.561
54 HA HIS 9 HA HIS 9 72.705 78.269 72.706
55 HB2 HIS 9 HB2 HIS 9 71.332 76.412 71.452
56 HB3 HIS 9 HB3 HIS 9 69.985 76.979 72.428
57 HD2 HIS 9 HD2 HIS 9 72.548 78.154 69.802
58 HE1 HIS 9 HE1 HIS 9 69.351 80.973 69.727
59 HE2 HIS 9 HE2 HIS 9 71.503 80.272 68.572
60 H GLN 10 H GLN 10 70.587 79.795 72.827
61 HA GLN 10 HA GLN 10 70.007 80.353 75.644
62 HB2 GLN 10 HB2 GLN 10 71.453 82.304 75.710
63 HB3 GLN 10 HB3 GLN 10 72.451 80.927 75.330
64 HG2 GLN 10 HG2 GLN 10 72.479 81.584 72.931
65 HG3 GLN 10 HG3 GLN 10 71.409 82.942 73.264
66 HE21 GLN 10 HE21 GLN 10 75.282 83.693 73.554
67 HE22 GLN 10 HE22 GLN 10 74.587 82.367 72.640
68 H ARG 11 H ARG 11 68.759 82.272 75.949
69 HA ARG 11 HA ARG 11 67.362 83.248 73.506
70 HB2 ARG 11 HB2 ARG 11 65.856 82.881 75.350
71 HB3 ARG 11 HB3 ARG 11 66.913 83.745 76.467
72 HG2 ARG 11 HG2 ARG 11 64.977 85.125 75.849
73 HG3 ARG 11 HG3 ARG 11 66.476 85.870 75.310
74 HD2 ARG 11 HD2 ARG 11 65.964 84.702 73.021
75 HD3 ARG 11 HD3 ARG 11 64.338 84.491 73.659
76 HE ARG 11 HE ARG 11 64.887 87.188 74.049
77 HH11 ARG 11 HH11 ARG 11 64.920 86.362 70.082
78 HH12 ARG 11 HH12 ARG 11 64.967 85.051 71.215
79 HH21 ARG 11 HH21 ARG 11 64.486 88.849 72.472
80 HH22 ARG 11 HH22 ARG 11 64.598 88.414 70.774
81 H VAL 12 H VAL 12 68.576 84.666 72.413
82 HA VAL 12 HA VAL 12 70.752 86.228 73.560
83 HB VAL 12 HB VAL 12 69.309 86.518 70.896
84 HG11 VAL 12 HG11 VAL 12 71.980 87.682 71.805
85 HG12 VAL 12 HG12 VAL 12 71.332 87.754 70.155
86 HG13 VAL 12 HG13 VAL 12 70.509 88.609 71.462
87 HG21 VAL 12 HG21 VAL 12 70.375 84.323 71.079
88 HG22 VAL 12 HG22 VAL 12 71.357 85.337 70.019
89 HG23 VAL 12 HG23 VAL 12 71.855 85.058 71.705
90 H GLN 13 H GLN 13 70.646 88.215 74.521
91 HA GLN 13 HA GLN 13 68.195 89.832 74.363
92 HB2 GLN 13 HB2 GLN 13 68.028 87.728 76.000
93 HB3 GLN 13 HB3 GLN 13 69.019 88.715 77.060
94 HG2 GLN 13 HG2 GLN 13 66.724 88.960 77.645
95 HG3 GLN 13 HG3 GLN 13 67.222 90.498 76.936
96 HE21 GLN 13 HE21 GLN 13 64.846 90.219 74.262
97 HE22 GLN 13 HE22 GLN 13 66.253 91.109 74.843
98 H GLN 14 H GLN 14 70.786 90.460 73.586
99 HA GLN 14 HA GLN 14 72.251 92.137 75.394
100 HB2 GLN 14 HB2 GLN 14 73.017 91.358 73.136
101 HB3 GLN 14 HB3 GLN 14 71.743 92.322 72.384
102 HG2 GLN 14 HG2 GLN 14 72.822 94.387 73.407
103 HG3 GLN 14 HG3 GLN 14 74.174 93.366 73.899
104 HE21 GLN 14 HE21 GLN 14 74.529 95.063 70.412
105 HE22 GLN 14 HE22 GLN 14 73.940 95.684 71.941
106 H ARG 15 H ARG 15 69.293 92.604 73.526
107 HA ARG 15 HA ARG 15 68.621 95.051 75.057
108 HB2 ARG 15 HB2 ARG 15 68.242 94.789 72.054
109 HB3 ARG 15 HB3 ARG 15 67.748 96.147 73.058
110 HG2 ARG 15 HG2 ARG 15 70.232 96.522 73.547
111 HG3 ARG 15 HG3 ARG 15 70.571 95.303 72.301
112 HD2 ARG 15 HD2 ARG 15 69.183 96.642 70.680
113 HD3 ARG 15 HD3 ARG 15 69.000 97.895 71.904
114 HE ARG 15 HE ARG 15 71.306 97.376 70.214
115 HH11 ARG 15 HH11 ARG 15 70.452 98.768 73.372
116 HH12 ARG 15 HH12 ARG 15 71.799 99.888 73.287
117 HH21 ARG 15 HH21 ARG 15 73.366 99.633 71.722
118 HH22 ARG 15 HH22 ARG 15 73.040 98.662 70.300
119 H LYS 16 H LYS 16 66.160 95.473 74.744
120 HA LYS 16 HA LYS 16 64.682 92.925 74.754
121 HB2 LYS 16 HB2 LYS 16 64.101 94.669 76.379
122 HB3 LYS 16 HB3 LYS 16 63.763 95.810 75.076
123 HG2 LYS 16 HG2 LYS 16 61.697 94.867 76.030
124 HG3 LYS 16 HG3 LYS 16 61.855 94.460 74.321
125 HD2 LYS 16 HD2 LYS 16 62.645 92.178 74.929
126 HD3 LYS 16 HD3 LYS 16 62.554 92.611 76.645
127 HE2 LYS 16 HE2 LYS 16 60.125 92.917 76.450
128 HE3 LYS 16 HE3 LYS 16 60.196 92.638 74.700
129 HZ1 LYS 16 HZ1 LYS 16 59.558 90.647 76.028
130 HZ2 LYS 16 HZ2 LYS 16 60.892 90.392 75.099
131 HZ3 LYS 16 HZ3 LYS 16 61.039 90.644 76.721
132 H GLU 17 H GLU 17 63.771 92.010 72.966
133 HA GLU 17 HA GLU 17 64.024 93.223 70.413
134 HB2 GLU 17 HB2 GLU 17 62.898 91.312 69.534
135 HB3 GLU 17 HB3 GLU 17 64.111 90.819 70.705
136 HG2 GLU 17 HG2 GLU 17 61.089 90.891 71.148
137 HG3 GLU 17 HG3 GLU 17 62.033 89.477 70.747
138 H SER 18 H SER 18 62.682 94.217 69.051
139 HA SER 18 HA SER 18 59.986 95.086 70.001
140 HB2 SER 18 HB2 SER 18 60.094 96.597 68.024
141 HB3 SER 18 HB3 SER 18 61.389 96.879 69.196
142 HG SER 18 HG SER 18 62.835 96.324 67.790
143 HN1 NH2 19 HN1 NH2 19 59.888 92.127 67.290
144 HN2 NH2 19 HN2 NH2 19 61.326 92.524 68.205
145 H12 FKZ 101 H12 OCT 20 61.361 69.238 77.312
146 H11 FKZ 101 H11 OCT 20 62.824 69.079 76.337
147 H22 FKZ 101 H22 OCT 20 62.775 69.600 79.369
148 H21 FKZ 101 H21 OCT 20 62.906 70.868 78.172
149 H31 FKZ 101 H31 OCT 20 65.118 70.315 79.124
150 H32 FKZ 101 H32 OCT 20 64.952 68.627 78.684
151 H41 FKZ 101 H41 OCT 20 66.478 69.905 77.171
152 H42 FKZ 101 H42 OCT 20 65.169 69.138 76.292
153 H52 FKZ 101 H52 OCT 20 65.091 72.084 77.139
154 H51 FKZ 101 H51 OCT 20 63.958 71.273 76.056
155 H62 FKZ 101 H62 OCT 20 65.793 70.867 74.405
156 H61 FKZ 101 H61 OCT 20 66.946 71.626 75.497
157 H72 FKZ 101 H72 OCT 20 65.677 73.796 75.353
158 H71 FKZ 101 H71 OCT 20 64.528 73.047 74.241
159 H81 FKZ 101 H81 OCT 20 67.546 73.370 73.705
160 H83 FKZ 101 H83 OCT 20 66.258 74.377 73.008
161 H82 FKZ 101 H82 OCT 20 66.372 72.659 72.574
162 H FKZ 101 H OCT 20 61.924 67.198 78.512
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 57.756 58.823 80.384
2 H2 GLY 1 H2 GLY 1 56.216 59.167 79.910
3 H3 GLY 1 H3 GLY 1 57.240 60.386 80.318
4 HA2 GLY 1 HA2 GLY 1 57.470 58.614 77.987
5 HA3 GLY 1 HA3 GLY 1 57.035 60.334 77.964
6 H SER 2 H SER 2 59.194 59.172 76.538
7 HA SER 2 HA SER 2 61.727 59.773 77.891
8 HB2 SER 2 HB2 SER 2 61.403 58.004 76.122
9 HB3 SER 2 HB3 SER 2 61.188 59.309 74.940
10 HG SER 2 HG SER 2 63.288 59.092 74.800
11 H ASP 3 H ASP 3 63.281 61.191 76.336
12 HA ASP 3 HA ASP 3 62.104 63.688 75.470
13 HB2 ASP 3 HB2 ASP 3 62.418 63.901 78.020
14 HB3 ASP 3 HB3 ASP 3 64.111 64.144 77.636
15 H PHE 4 H PHE 4 63.484 64.940 74.294
16 HA PHE 4 HA PHE 4 65.626 63.449 72.963
17 HB2 PHE 4 HB2 PHE 4 65.359 65.189 71.257
18 HB3 PHE 4 HB3 PHE 4 63.781 64.557 71.679
19 HD1 PHE 4 HD1 PHE 4 62.304 65.943 73.347
20 HD2 PHE 4 HD2 PHE 4 65.864 67.501 71.459
21 HE1 PHE 4 HE1 PHE 4 61.595 68.250 73.889
22 HE2 PHE 4 HE2 PHE 4 65.152 69.803 72.026
23 HZ PHE 4 HZ PHE 4 63.021 70.183 73.251
24 H LEU 5 H LEU 5 65.221 66.227 75.018
25 HA LEU 5 HA LEU 5 66.582 67.682 76.039
26 HB2 LEU 5 HB2 LEU 5 68.710 65.518 75.647
27 HB3 LEU 5 HB3 LEU 5 68.936 66.958 76.599
28 HG LEU 5 HG LEU 5 68.500 65.393 78.182
29 HD11 LEU 5 HD11 LEU 5 66.386 65.969 79.191
30 HD12 LEU 5 HD12 LEU 5 67.032 67.411 78.406
31 HD13 LEU 5 HD13 LEU 5 65.703 66.491 77.651
32 HD21 LEU 5 HD21 LEU 5 66.182 64.263 76.583
33 HD22 LEU 5 HD22 LEU 5 67.803 63.547 76.694
34 HD23 LEU 5 HD23 LEU 5 66.783 63.672 78.139
35 H SER 6 H SER 6 68.286 69.159 76.021
36 HA SER 6 HA SER 6 70.062 69.388 73.899
37 HB2 SER 6 HB2 SER 6 68.096 70.097 72.528
38 HB3 SER 6 HB3 SER 6 67.712 71.325 73.732
39 HG SER 6 HG SER 6 68.741 72.365 72.157
40 HA PRO 7 HA PRO 7 71.500 72.178 77.106
41 HB2 PRO 7 HB2 PRO 7 74.025 72.745 76.309
42 HB3 PRO 7 HB3 PRO 7 73.529 71.057 76.625
43 HG2 PRO 7 HG2 PRO 7 73.593 72.488 73.941
44 HG3 PRO 7 HG3 PRO 7 74.341 70.920 74.376
45 HD2 PRO 7 HD2 PRO 7 71.862 71.104 73.199
46 HD3 PRO 7 HD3 PRO 7 72.287 69.817 74.362
47 H GLU 8 H GLU 8 69.929 73.318 74.759
48 HA GLU 8 HA GLU 8 70.789 76.173 74.934
49 HB2 GLU 8 HB2 GLU 8 69.938 74.761 72.378
50 HB3 GLU 8 HB3 GLU 8 70.464 76.438 72.547
51 HG2 GLU 8 HG2 GLU 8 72.665 75.291 73.540
52 HG3 GLU 8 HG3 GLU 8 72.093 73.898 72.620
53 H HIS 9 H HIS 9 69.040 77.374 73.505
54 HA HIS 9 HA HIS 9 67.030 77.962 72.924
55 HB2 HIS 9 HB2 HIS 9 66.513 75.434 72.939
56 HB3 HIS 9 HB3 HIS 9 65.714 75.738 74.485
57 HD2 HIS 9 HD2 HIS 9 65.738 77.066 70.845
58 HE1 HIS 9 HE1 HIS 9 61.829 77.797 72.364
59 HE2 HIS 9 HE2 HIS 9 63.345 78.047 70.325
60 H GLN 10 H GLN 10 65.621 79.310 73.254
61 HA GLN 10 HA GLN 10 64.483 80.410 75.545
62 HB2 GLN 10 HB2 GLN 10 66.121 82.258 75.893
63 HB3 GLN 10 HB3 GLN 10 66.649 80.730 76.547
64 HG2 GLN 10 HG2 GLN 10 68.170 80.472 74.563
65 HG3 GLN 10 HG3 GLN 10 67.599 82.036 73.958
66 HE21 GLN 10 HE21 GLN 10 70.040 82.022 77.287
67 HE22 GLN 10 HE22 GLN 10 69.163 80.550 76.896
68 H ARG 11 H ARG 11 63.963 82.835 75.007
69 HA ARG 11 HA ARG 11 63.301 83.066 72.229
70 HB2 ARG 11 HB2 ARG 11 62.287 85.132 72.739
71 HB3 ARG 11 HB3 ARG 11 61.961 84.013 74.044
72 HG2 ARG 11 HG2 ARG 11 62.418 85.867 75.287
73 HG3 ARG 11 HG3 ARG 11 64.055 85.211 75.196
74 HD2 ARG 11 HD2 ARG 11 64.360 86.721 73.104
75 HD3 ARG 11 HD3 ARG 11 62.787 87.387 73.468
76 HE ARG 11 HE ARG 11 63.741 88.692 75.090
77 HH11 ARG 11 HH11 ARG 11 66.020 86.008 74.607
78 HH12 ARG 11 HH12 ARG 11 67.281 86.829 75.493
79 HH21 ARG 11 HH21 ARG 11 65.384 89.656 76.158
80 HH22 ARG 11 HH22 ARG 11 66.946 88.878 76.304
81 H VAL 12 H VAL 12 64.512 83.606 70.636
82 HA VAL 12 HA VAL 12 66.459 85.469 70.187
83 HB VAL 12 HB VAL 12 67.905 84.472 71.928
84 HG11 VAL 12 HG11 VAL 12 67.217 82.073 71.692
85 HG12 VAL 12 HG12 VAL 12 68.151 81.993 70.185
86 HG13 VAL 12 HG13 VAL 12 68.963 82.339 71.723
87 HG21 VAL 12 HG21 VAL 12 68.833 85.609 69.900
88 HG22 VAL 12 HG22 VAL 12 69.923 84.511 70.751
89 HG23 VAL 12 HG23 VAL 12 69.172 84.005 69.233
90 H GLN 13 H GLN 13 66.946 85.439 67.997
91 HA GLN 13 HA GLN 13 65.830 83.412 66.311
92 HB2 GLN 13 HB2 GLN 13 66.012 85.484 65.311
93 HB3 GLN 13 HB3 GLN 13 67.665 85.731 65.831
94 HG2 GLN 13 HG2 GLN 13 67.589 85.397 63.443
95 HG3 GLN 13 HG3 GLN 13 68.468 84.080 64.199
96 HE21 GLN 13 HE21 GLN 13 66.441 82.291 61.792
97 HE22 GLN 13 HE22 GLN 13 67.995 83.107 61.979
98 H GLN 14 H GLN 14 66.555 81.611 65.483
99 HA GLN 14 HA GLN 14 68.513 80.230 66.897
100 HB2 GLN 14 HB2 GLN 14 66.344 79.496 65.648
101 HB3 GLN 14 HB3 GLN 14 67.330 79.390 64.204
102 HG2 GLN 14 HG2 GLN 14 66.891 77.226 65.459
103 HG3 GLN 14 HG3 GLN 14 68.586 77.556 65.125
104 HE21 GLN 14 HE21 GLN 14 67.417 78.071 69.033
105 HE22 GLN 14 HE22 GLN 14 66.213 78.404 67.799
106 H ARG 15 H ARG 15 70.527 79.424 66.494
107 HA ARG 15 HA ARG 15 72.490 78.911 65.599
108 HB2 ARG 15 HB2 ARG 15 71.396 79.731 62.886
109 HB3 ARG 15 HB3 ARG 15 72.916 78.916 63.180
110 HG2 ARG 15 HG2 ARG 15 70.160 77.750 63.685
111 HG3 ARG 15 HG3 ARG 15 71.268 77.368 62.388
112 HD2 ARG 15 HD2 ARG 15 71.576 75.581 63.813
113 HD3 ARG 15 HD3 ARG 15 72.946 76.630 64.192
114 HE ARG 15 HE ARG 15 70.565 76.984 65.908
115 HH11 ARG 15 HH11 ARG 15 70.649 76.515 67.982
116 HH12 ARG 15 HH12 ARG 15 71.983 75.636 68.697
117 HH21 ARG 15 HH21 ARG 15 73.650 75.253 65.641
118 HH22 ARG 15 HH22 ARG 15 73.626 74.838 67.336
119 H LYS 16 H LYS 16 71.426 82.217 65.053
120 HA LYS 16 HA LYS 16 73.845 83.195 63.945
121 HB2 LYS 16 HB2 LYS 16 73.115 85.424 64.632
122 HB3 LYS 16 HB3 LYS 16 71.835 84.496 63.847
123 HG2 LYS 16 HG2 LYS 16 70.832 83.986 66.010
124 HG3 LYS 16 HG3 LYS 16 72.115 84.862 66.851
125 HD2 LYS 16 HD2 LYS 16 71.339 86.948 65.588
126 HD3 LYS 16 HD3 LYS 16 70.007 85.980 64.965
127 HE2 LYS 16 HE2 LYS 16 69.063 87.046 66.830
128 HE3 LYS 16 HE3 LYS 16 69.443 85.432 67.429
129 HZ1 LYS 16 HZ1 LYS 16 71.123 87.848 67.833
130 HZ2 LYS 16 HZ2 LYS 16 70.098 87.233 68.946
131 HZ3 LYS 16 HZ3 LYS 16 71.417 86.360 68.480
132 H GLU 17 H GLU 17 73.209 82.534 67.341
133 HA GLU 17 HA GLU 17 76.072 82.286 67.709
134 HB2 GLU 17 HB2 GLU 17 76.575 83.871 69.282
135 HB3 GLU 17 HB3 GLU 17 75.589 84.778 68.153
136 HG2 GLU 17 HG2 GLU 17 74.734 83.683 70.859
137 HG3 GLU 17 HG3 GLU 17 75.076 85.358 70.457
138 H SER 18 H SER 18 72.967 81.280 68.480
139 HA SER 18 HA SER 18 73.908 79.244 70.337
140 HB2 SER 18 HB2 SER 18 72.345 79.813 72.091
141 HB3 SER 18 HB3 SER 18 73.482 81.130 71.845
142 HG SER 18 HG SER 18 71.901 82.304 70.753
143 HN1 NH2 19 HN1 NH2 19 70.949 78.697 71.022
144 HN2 NH2 19 HN2 NH2 19 70.301 78.099 69.512
145 H12 FKZ 101 H12 OCT 20 60.097 67.508 77.325
146 H11 FKZ 101 H11 OCT 20 61.479 67.921 76.304
147 H22 FKZ 101 H22 OCT 20 61.408 68.172 79.375
148 H21 FKZ 101 H21 OCT 20 61.064 69.497 78.277
149 H31 FKZ 101 H31 OCT 20 63.385 69.582 79.189
150 H32 FKZ 101 H32 OCT 20 63.764 68.028 78.465
151 H41 FKZ 101 H41 OCT 20 63.464 68.976 76.176
152 H42 FKZ 101 H42 OCT 20 62.876 70.493 76.861
153 H52 FKZ 101 H52 OCT 20 65.689 69.354 77.343
154 H51 FKZ 101 H51 OCT 20 65.110 70.918 77.893
155 H62 FKZ 101 H62 OCT 20 65.456 70.057 74.960
156 H61 FKZ 101 H61 OCT 20 66.545 71.097 75.866
157 H72 FKZ 101 H72 OCT 20 64.673 72.793 76.142
158 H71 FKZ 101 H71 OCT 20 63.639 71.779 75.133
159 H81 FKZ 101 H81 OCT 20 64.619 73.558 73.747
160 H83 FKZ 101 H83 OCT 20 65.300 72.005 73.228
161 H82 FKZ 101 H82 OCT 20 66.264 73.105 74.240
162 H FKZ 101 H OCT 20 61.259 65.636 78.230
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 57.793 60.493 81.753
2 H2 GLY 1 H2 GLY 1 56.636 59.813 80.810
3 H3 GLY 1 H3 GLY 1 56.223 60.943 81.935
4 HA2 GLY 1 HA2 GLY 1 56.153 61.930 79.775
5 HA3 GLY 1 HA3 GLY 1 57.449 62.636 80.758
6 H SER 2 H SER 2 58.113 63.149 78.390
7 HA SER 2 HA SER 2 60.305 61.298 77.765
8 HB2 SER 2 HB2 SER 2 59.804 61.126 75.399
9 HB3 SER 2 HB3 SER 2 58.489 60.415 76.338
10 HG SER 2 HG SER 2 58.041 61.945 74.460
11 H ASP 3 H ASP 3 62.084 62.306 77.012
12 HA ASP 3 HA ASP 3 61.901 64.968 75.809
13 HB2 ASP 3 HB2 ASP 3 62.256 65.246 78.347
14 HB3 ASP 3 HB3 ASP 3 63.907 64.779 78.004
15 H PHE 4 H PHE 4 63.659 65.576 74.678
16 HA PHE 4 HA PHE 4 65.124 63.351 73.374
17 HB2 PHE 4 HB2 PHE 4 65.084 64.977 71.453
18 HB3 PHE 4 HB3 PHE 4 63.469 64.575 72.028
19 HD1 PHE 4 HD1 PHE 4 62.140 66.244 73.390
20 HD2 PHE 4 HD2 PHE 4 65.957 67.256 71.644
21 HE1 PHE 4 HE1 PHE 4 61.683 68.644 73.783
22 HE2 PHE 4 HE2 PHE 4 65.500 69.658 72.053
23 HZ PHE 4 HZ PHE 4 63.366 70.358 73.130
24 H LEU 5 H LEU 5 65.546 66.426 74.955
25 HA LEU 5 HA LEU 5 67.209 67.468 75.920
26 HB2 LEU 5 HB2 LEU 5 68.727 64.878 75.391
27 HB3 LEU 5 HB3 LEU 5 69.435 66.203 76.237
28 HG LEU 5 HG LEU 5 68.702 64.799 77.901
29 HD11 LEU 5 HD11 LEU 5 66.402 66.800 77.741
30 HD12 LEU 5 HD12 LEU 5 67.093 66.053 79.167
31 HD13 LEU 5 HD13 LEU 5 68.058 67.214 78.260
32 HD21 LEU 5 HD21 LEU 5 67.146 63.417 76.499
33 HD22 LEU 5 HD22 LEU 5 66.599 63.763 78.152
34 HD23 LEU 5 HD23 LEU 5 65.900 64.643 76.790
35 H SER 6 H SER 6 69.547 68.294 75.830
36 HA SER 6 HA SER 6 69.256 69.971 73.544
37 HB2 SER 6 HB2 SER 6 69.877 70.836 75.745
38 HB3 SER 6 HB3 SER 6 71.428 69.987 75.650
39 HG SER 6 HG SER 6 72.146 71.626 74.615
40 HA PRO 7 HA PRO 7 72.491 67.906 71.072
41 HB2 PRO 7 HB2 PRO 7 72.329 69.354 68.764
42 HB3 PRO 7 HB3 PRO 7 71.024 68.241 69.274
43 HG2 PRO 7 HG2 PRO 7 71.168 71.247 69.679
44 HG3 PRO 7 HG3 PRO 7 69.807 70.281 69.036
45 HD2 PRO 7 HD2 PRO 7 69.997 71.066 71.670
46 HD3 PRO 7 HD3 PRO 7 69.198 69.542 71.171
47 H GLU 8 H GLU 8 72.838 70.467 72.837
48 HA GLU 8 HA GLU 8 75.603 71.191 72.170
49 HB2 GLU 8 HB2 GLU 8 73.405 73.306 72.253
50 HB3 GLU 8 HB3 GLU 8 75.120 73.583 71.995
51 HG2 GLU 8 HG2 GLU 8 74.900 72.207 69.853
52 HG3 GLU 8 HG3 GLU 8 73.152 72.268 70.086
53 H HIS 9 H HIS 9 76.415 72.776 73.778
54 HA HIS 9 HA HIS 9 76.542 73.969 75.648
55 HB2 HIS 9 HB2 HIS 9 73.967 74.182 75.343
56 HB3 HIS 9 HB3 HIS 9 73.848 72.963 76.611
57 HD2 HIS 9 HD2 HIS 9 74.316 76.586 75.971
58 HE1 HIS 9 HE1 HIS 9 74.907 76.135 80.165
59 HE2 HIS 9 HE2 HIS 9 74.537 77.827 78.293
60 H GLN 10 H GLN 10 77.581 73.871 77.360
61 HA GLN 10 HA GLN 10 77.780 71.376 78.980
62 HB2 GLN 10 HB2 GLN 10 79.920 72.572 77.148
63 HB3 GLN 10 HB3 GLN 10 80.216 71.383 78.392
64 HG2 GLN 10 HG2 GLN 10 78.611 69.814 77.225
65 HG3 GLN 10 HG3 GLN 10 78.637 70.959 75.862
66 HE21 GLN 10 HE21 GLN 10 82.127 70.274 75.116
67 HE22 GLN 10 HE22 GLN 10 80.891 71.534 75.012
68 H ARG 11 H ARG 11 78.217 74.866 78.760
69 HA ARG 11 HA ARG 11 80.144 74.979 80.883
70 HB2 ARG 11 HB2 ARG 11 79.954 76.673 79.102
71 HB3 ARG 11 HB3 ARG 11 78.404 77.190 79.758
72 HG2 ARG 11 HG2 ARG 11 80.136 78.716 80.507
73 HG3 ARG 11 HG3 ARG 11 79.520 77.838 81.886
74 HD2 ARG 11 HD2 ARG 11 81.887 77.989 82.136
75 HD3 ARG 11 HD3 ARG 11 81.537 76.316 81.739
76 HE ARG 11 HE ARG 11 82.211 78.140 79.492
77 HH11 ARG 11 HH11 ARG 11 84.642 75.106 80.394
78 HH12 ARG 11 HH12 ARG 11 83.526 75.595 81.648
79 HH21 ARG 11 HH21 ARG 11 83.894 77.655 78.221
80 HH22 ARG 11 HH22 ARG 11 84.941 76.281 78.598
81 H VAL 12 H VAL 12 79.798 74.674 82.922
82 HA VAL 12 HA VAL 12 77.527 74.561 84.484
83 HB VAL 12 HB VAL 12 79.789 73.925 85.151
84 HG11 VAL 12 HG11 VAL 12 81.463 75.442 85.938
85 HG12 VAL 12 HG12 VAL 12 80.975 76.035 84.340
86 HG13 VAL 12 HG13 VAL 12 80.384 76.829 85.798
87 HG21 VAL 12 HG21 VAL 12 78.027 74.214 86.879
88 HG22 VAL 12 HG22 VAL 12 79.674 74.472 87.484
89 HG23 VAL 12 HG23 VAL 12 78.617 75.864 87.175
90 H GLN 13 H GLN 13 76.334 75.915 85.843
91 HA GLN 13 HA GLN 13 75.649 78.410 84.661
92 HB2 GLN 13 HB2 GLN 13 73.907 78.541 86.253
93 HB3 GLN 13 HB3 GLN 13 74.050 76.888 85.691
94 HG2 GLN 13 HG2 GLN 13 74.785 77.989 88.430
95 HG3 GLN 13 HG3 GLN 13 73.518 76.858 88.027
96 HE21 GLN 13 HE21 GLN 13 76.993 75.290 89.143
97 HE22 GLN 13 HE22 GLN 13 76.535 76.948 89.466
98 H GLN 14 H GLN 14 76.923 80.066 84.661
99 HA GLN 14 HA GLN 14 77.556 81.960 86.504
100 HB2 GLN 14 HB2 GLN 14 79.952 81.515 87.105
101 HB3 GLN 14 HB3 GLN 14 78.779 80.577 87.966
102 HG2 GLN 14 HG2 GLN 14 80.516 79.089 87.530
103 HG3 GLN 14 HG3 GLN 14 79.303 78.640 86.354
104 HE21 GLN 14 HE21 GLN 14 81.376 79.862 83.573
105 HE22 GLN 14 HE22 GLN 14 79.713 79.524 84.011
106 H ARG 15 H ARG 15 79.679 83.209 85.799
107 HA ARG 15 HA ARG 15 80.368 82.738 82.938
108 HB2 ARG 15 HB2 ARG 15 79.635 85.395 84.246
109 HB3 ARG 15 HB3 ARG 15 80.465 85.287 82.701
110 HG2 ARG 15 HG2 ARG 15 77.769 83.920 83.071
111 HG3 ARG 15 HG3 ARG 15 77.874 85.652 82.806
112 HD2 ARG 15 HD2 ARG 15 77.482 84.491 80.702
113 HD3 ARG 15 HD3 ARG 15 79.005 85.365 80.692
114 HE ARG 15 HE ARG 15 80.232 83.322 80.800
115 HH11 ARG 15 HH11 ARG 15 79.198 80.391 79.413
116 HH12 ARG 15 HH12 ARG 15 80.540 81.355 79.947
117 HH21 ARG 15 HH21 ARG 15 77.110 81.083 79.701
118 HH22 ARG 15 HH22 ARG 15 76.743 82.565 80.549
119 H LYS 16 H LYS 16 82.507 82.570 82.717
120 HA LYS 16 HA LYS 16 84.343 84.095 84.459
121 HB2 LYS 16 HB2 LYS 16 83.558 81.923 85.606
122 HB3 LYS 16 HB3 LYS 16 84.465 81.050 84.396
123 HG2 LYS 16 HG2 LYS 16 85.652 81.283 86.559
124 HG3 LYS 16 HG3 LYS 16 86.569 81.980 85.241
125 HD2 LYS 16 HD2 LYS 16 86.654 83.367 87.274
126 HD3 LYS 16 HD3 LYS 16 85.959 84.244 85.915
127 HE2 LYS 16 HE2 LYS 16 83.643 83.582 86.836
128 HE3 LYS 16 HE3 LYS 16 84.478 82.988 88.272
129 HZ1 LYS 16 HZ1 LYS 16 83.736 85.225 88.605
130 HZ2 LYS 16 HZ2 LYS 16 85.380 85.257 88.526
131 HZ3 LYS 16 HZ3 LYS 16 84.487 85.758 87.242
132 H GLU 17 H GLU 17 83.740 83.114 81.414
133 HA GLU 17 HA GLU 17 86.558 82.882 80.519
134 HB2 GLU 17 HB2 GLU 17 85.631 82.904 78.242
135 HB3 GLU 17 HB3 GLU 17 85.024 81.594 79.229
136 HG2 GLU 17 HG2 GLU 17 83.489 84.172 78.690
137 HG3 GLU 17 HG3 GLU 17 83.350 82.714 77.709
138 H SER 18 H SER 18 87.151 84.548 78.681
139 HA SER 18 HA SER 18 87.468 87.023 79.936
140 HB2 SER 18 HB2 SER 18 87.747 86.455 76.976
141 HB3 SER 18 HB3 SER 18 88.566 87.719 77.924
142 HG SER 18 HG SER 18 90.055 86.221 78.153
143 HN1 NH2 19 HN1 NH2 19 84.793 86.165 77.722
144 HN2 NH2 19 HN2 NH2 19 84.079 87.766 77.763
145 H12 FKZ 101 H12 OCT 20 61.457 69.343 77.102
146 H11 FKZ 101 H11 OCT 20 62.934 69.094 76.168
147 H22 FKZ 101 H22 OCT 20 62.847 69.822 79.157
148 H21 FKZ 101 H21 OCT 20 62.999 71.008 77.874
149 H31 FKZ 101 H31 OCT 20 65.161 70.440 78.994
150 H32 FKZ 101 H32 OCT 20 65.049 68.781 78.424
151 H41 FKZ 101 H41 OCT 20 65.166 69.545 76.057
152 H42 FKZ 101 H42 OCT 20 65.136 71.228 76.548
153 H52 FKZ 101 H52 OCT 20 67.429 70.351 75.915
154 H51 FKZ 101 H51 OCT 20 67.348 69.211 77.239
155 H62 FKZ 101 H62 OCT 20 68.762 71.055 77.910
156 H61 FKZ 101 H61 OCT 20 67.332 71.053 78.910
157 H72 FKZ 101 H72 OCT 20 67.841 73.346 78.342
158 H71 FKZ 101 H71 OCT 20 66.360 72.936 77.498
159 H81 FKZ 101 H81 OCT 20 69.181 73.015 76.243
160 H83 FKZ 101 H83 OCT 20 67.912 74.233 76.028
161 H82 FKZ 101 H82 OCT 20 67.693 72.609 75.354
162 H FKZ 101 H OCT 20 61.781 67.317 78.272
Contact the webmaster for help, if required. Sunday, May 19, 2024 9:17:32 AM GMT (wattos1)