Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
578716 | 2mn8 RC | 19882 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 2.332 -1.016 -1.500
3 HA3 GLY 1 HA3 GLY 1 1.442 0.405 -2.027
4 H LEU 2 H LEU 2 3.164 1.352 -3.087
5 HA LEU 2 HA LEU 2 5.708 1.731 -1.839
6 HB2 LEU 2 HB2 LEU 2 4.419 2.516 -4.384
7 HB3 LEU 2 HB3 LEU 2 5.763 3.514 -3.834
8 HG LEU 2 HG LEU 2 6.567 0.797 -3.652
9 HD11 LEU 2 HD11 LEU 2 6.032 -0.206 -5.607
10 HD12 LEU 2 HD12 LEU 2 5.934 1.317 -6.491
11 HD13 LEU 2 HD13 LEU 2 4.597 0.809 -5.460
12 HD21 LEU 2 HD21 LEU 2 7.325 3.179 -5.309
13 HD22 LEU 2 HD22 LEU 2 8.123 1.620 -5.519
14 HD23 LEU 2 HD23 LEU 2 8.191 2.444 -3.960
15 H PHE 3 H PHE 3 2.732 3.503 -1.960
16 HA PHE 3 HA PHE 3 3.672 6.076 -1.351
17 HB2 PHE 3 HB2 PHE 3 1.199 4.924 -1.790
18 HB3 PHE 3 HB3 PHE 3 1.115 5.411 -0.100
19 HD1 PHE 3 HD2 PHE 3 1.853 6.670 -3.507
20 HD2 PHE 3 HD1 PHE 3 0.731 7.635 0.484
21 HE1 PHE 3 HE2 PHE 3 1.382 8.983 -4.202
22 HE2 PHE 3 HE1 PHE 3 0.258 9.949 -0.204
23 HZ PHE 3 HZ PHE 3 0.584 10.626 -2.549
24 H GLY 4 H GLY 4 2.660 3.408 0.763
25 HA2 GLY 4 HA2 GLY 4 2.939 4.766 3.207
26 HA3 GLY 4 HA3 GLY 4 3.018 3.023 2.996
27 H VAL 5 H VAL 5 5.316 3.447 1.069
28 HA VAL 5 HA VAL 5 7.396 3.175 3.013
29 HB VAL 5 HB VAL 5 7.726 3.481 0.028
30 HG11 VAL 5 HG11 VAL 5 9.799 3.703 1.233
31 HG12 VAL 5 HG12 VAL 5 9.458 2.242 2.163
32 HG13 VAL 5 HG13 VAL 5 9.767 2.134 0.430
33 HG21 VAL 5 HG21 VAL 5 6.953 1.109 1.689
34 HG22 VAL 5 HG22 VAL 5 6.243 1.692 0.183
35 HG23 VAL 5 HG23 VAL 5 7.823 0.908 0.167
36 H LEU 6 H LEU 6 6.213 5.749 0.984
37 HA LEU 6 HA LEU 6 8.400 7.452 0.916
38 HB2 LEU 6 HB2 LEU 6 5.731 7.577 0.187
39 HB3 LEU 6 HB3 LEU 6 5.908 8.871 1.370
40 HG LEU 6 HG LEU 6 7.507 8.560 -1.171
41 HD11 LEU 6 HD11 LEU 6 6.296 10.777 -1.645
42 HD12 LEU 6 HD12 LEU 6 5.163 10.257 -0.398
43 HD13 LEU 6 HD13 LEU 6 5.397 9.272 -1.842
44 HD21 LEU 6 HD21 LEU 6 7.835 11.123 -0.225
45 HD22 LEU 6 HD22 LEU 6 9.012 9.816 -0.104
46 HD23 LEU 6 HD23 LEU 6 7.915 10.142 1.238
47 H ALA 7 H ALA 7 6.068 6.882 3.483
48 HA ALA 7 HA ALA 7 6.983 9.040 5.132
49 HB1 ALA 7 HB1 ALA 7 5.682 7.460 6.872
50 HB2 ALA 7 HB2 ALA 7 4.868 8.575 5.772
51 HB3 ALA 7 HB3 ALA 7 5.002 6.866 5.357
52 H LYS 8 H LYS 8 7.793 5.669 4.734
53 HA LYS 8 HA LYS 8 9.111 5.182 7.146
54 HB2 LYS 8 HB2 LYS 8 8.786 3.868 4.648
55 HB3 LYS 8 HB3 LYS 8 10.505 3.870 5.022
56 HG2 LYS 8 HG2 LYS 8 8.385 2.937 6.941
57 HG3 LYS 8 HG3 LYS 8 9.245 1.870 5.828
58 HD2 LYS 8 HD2 LYS 8 11.360 2.447 6.857
59 HD3 LYS 8 HD3 LYS 8 10.558 3.613 7.912
60 HE2 LYS 8 HE2 LYS 8 10.129 2.016 9.393
61 HE3 LYS 8 HE3 LYS 8 9.258 1.088 8.172
62 HZ1 LYS 8 HZ1 LYS 8 11.438 0.200 7.445
63 HZ2 LYS 8 HZ2 LYS 8 11.019 -0.248 9.021
64 HZ3 LYS 8 HZ3 LYS 8 12.164 0.972 8.765
65 H VAL 9 H VAL 9 10.260 6.672 4.158
66 HA VAL 9 HA VAL 9 12.986 6.831 4.861
67 HB VAL 9 HB VAL 9 11.497 8.751 3.070
68 HG11 VAL 9 HG11 VAL 9 13.773 8.719 1.905
69 HG12 VAL 9 HG12 VAL 9 13.654 9.591 3.435
70 HG13 VAL 9 HG13 VAL 9 14.382 7.985 3.388
71 HG21 VAL 9 HG21 VAL 9 12.235 7.184 1.239
72 HG22 VAL 9 HG22 VAL 9 12.595 6.006 2.500
73 HG23 VAL 9 HG23 VAL 9 10.943 6.583 2.278
74 H ALA 10 H ALA 10 10.289 9.085 5.297
75 HA ALA 10 HA ALA 10 11.808 11.208 6.372
76 HB1 ALA 10 HB1 ALA 10 8.942 10.715 7.093
77 HB2 ALA 10 HB2 ALA 10 9.781 12.248 6.853
78 HB3 ALA 10 HB3 ALA 10 9.401 11.225 5.468
79 H ALA 11 H ALA 11 10.416 8.329 7.779
80 HA ALA 11 HA ALA 11 10.678 9.170 10.499
81 HB1 ALA 11 HB1 ALA 11 9.401 7.391 10.847
82 HB2 ALA 11 HB2 ALA 11 9.520 6.992 9.133
83 HB3 ALA 11 HB3 ALA 11 10.685 6.325 10.276
84 H HIS 12 H HIS 12 12.773 7.693 8.163
85 HA HIS 12 HA HIS 12 14.898 7.591 10.192
86 HB2 HIS 12 HB2 HIS 12 13.995 5.297 9.584
87 HB3 HIS 12 HB3 HIS 12 14.640 5.567 7.968
88 HD1 HIS 12 HD1 HIS 12 17.383 6.581 8.399
89 HD2 HIS 12 HD2 HIS 12 15.725 3.661 10.845
90 HE1 HIS 12 HE1 HIS 12 19.336 5.386 9.437
91 HB2 I4G 13 HB2 I4G 13 17.434 10.767 8.161
92 HB3 I4G 13 HB3 I4G 13 16.899 9.802 6.784
93 HG I4G 13 HG I4G 13 14.735 11.593 7.517
94 HD13 I4G 13 HD13 I4G 13 17.432 13.002 7.100
95 HD11 I4G 13 HD11 I4G 13 15.848 13.800 7.080
96 HD12 I4G 13 HD12 I4G 13 16.450 13.067 8.569
97 HD23 I4G 13 HD23 I4G 13 15.120 10.601 5.269
98 HD22 I4G 13 HD22 I4G 13 16.603 11.552 5.090
99 HD21 I4G 13 HD21 I4G 13 15.030 12.365 5.172
100 HA2 I4G 13 HA2 I4G 13 15.311 11.286 9.637
101 HA3 I4G 13 HA3 I4G 13 14.323 9.870 10.043
102 H VAL 14 H VAL 14 14.693 10.289 12.172
103 HA VAL 14 HA VAL 14 17.381 9.518 13.108
104 HB VAL 14 HB VAL 14 15.407 11.032 14.794
105 HG11 VAL 14 HG11 VAL 14 17.721 9.810 15.456
106 HG12 VAL 14 HG12 VAL 14 18.315 11.421 15.048
107 HG13 VAL 14 HG13 VAL 14 17.080 11.224 16.293
108 HG21 VAL 14 HG21 VAL 14 17.465 12.200 12.923
109 HG22 VAL 14 HG22 VAL 14 15.714 12.377 12.804
110 HG23 VAL 14 HG23 VAL 14 16.584 13.106 14.154
111 H GLY 15 H GLY 15 15.046 7.813 12.393
112 HA2 GLY 15 HA2 GLY 15 13.739 6.842 14.675
113 HA3 GLY 15 HA3 GLY 15 14.005 5.932 13.195
114 H ALA 16 H ALA 16 16.318 5.096 12.950
115 HA ALA 16 HA ALA 16 16.876 3.393 15.136
116 HB1 ALA 16 HB1 ALA 16 17.363 2.761 12.831
117 HB2 ALA 16 HB2 ALA 16 18.587 4.027 12.734
118 HB3 ALA 16 HB3 ALA 16 18.811 2.667 13.833
119 H ILE 17 H ILE 17 18.538 6.270 13.877
120 HA ILE 17 HA ILE 17 20.745 6.311 15.530
121 HB ILE 17 HB ILE 17 19.146 8.700 14.602
122 HG12 ILE 17 HG12 ILE 17 21.630 7.553 13.337
123 HG13 ILE 17 HG13 ILE 17 20.017 7.033 12.862
124 HG21 ILE 17 HG21 ILE 17 21.700 9.555 14.726
125 HG22 ILE 17 HG22 ILE 17 20.532 9.756 16.031
126 HG23 ILE 17 HG23 ILE 17 21.680 8.419 16.075
127 HD11 ILE 17 HD11 ILE 17 20.537 8.657 11.304
128 HD12 ILE 17 HD12 ILE 17 19.570 9.541 12.485
129 HD13 ILE 17 HD13 ILE 17 21.327 9.690 12.495
130 H ALA 18 H ALA 18 17.437 7.227 16.246
131 HA ALA 18 HA ALA 18 17.895 8.589 18.664
132 HB1 ALA 18 HB1 ALA 18 15.442 7.585 19.070
133 HB2 ALA 18 HB2 ALA 18 15.762 8.966 18.020
134 HB3 ALA 18 HB3 ALA 18 15.571 7.357 17.325
135 H GLU 19 H GLU 19 17.337 5.167 17.955
136 HA GLU 19 HA GLU 19 17.100 4.232 20.574
137 HB2 GLU 19 HB2 GLU 19 17.114 3.095 18.057
138 HB3 GLU 19 HB3 GLU 19 18.554 2.417 18.804
139 HG2 GLU 19 HG2 GLU 19 16.429 2.298 20.685
140 HG3 GLU 19 HG3 GLU 19 15.860 1.645 19.150
141 H HIS 20 H HIS 20 19.850 5.365 18.842
142 HA HIS 20 HA HIS 20 21.776 4.088 20.587
143 HB2 HIS 20 HB2 HIS 20 21.944 5.923 18.223
144 HB3 HIS 20 HB3 HIS 20 23.345 5.724 19.272
145 HD1 HIS 20 HD1 HIS 20 23.827 2.952 19.697
146 HD2 HIS 20 HD2 HIS 20 22.034 4.195 16.162
147 HE1 HIS 20 HE1 HIS 20 24.200 1.080 18.060
148 H PHE 21 H PHE 21 20.516 7.350 20.014
149 HA PHE 21 HA PHE 21 21.949 8.302 22.388
150 HB2 PHE 21 HB2 PHE 21 20.549 9.777 20.153
151 HB3 PHE 21 HB3 PHE 21 21.211 10.573 21.577
152 HD1 PHE 21 HD1 PHE 21 22.214 8.269 18.828
153 HD2 PHE 21 HD2 PHE 21 23.379 11.351 21.524
154 HE1 PHE 21 HE1 PHE 21 24.411 8.397 17.728
155 HE2 PHE 21 HE2 PHE 21 25.577 11.484 20.427
156 HZ PHE 21 HZ PHE 21 26.095 10.006 18.526
157 HN1 NH2 22 HN1 NH2 22 19.670 6.398 22.694
158 HN2 NH2 22 HN2 NH2 22 18.364 7.269 23.556
Start of MODEL 2
1 H1 GLY 1 H GLY 1 2.934 -0.380 2.518
2 HA2 GLY 1 HA2 GLY 1 5.194 -1.696 2.386
3 HA3 GLY 1 HA3 GLY 1 4.604 -2.034 0.766
4 H LEU 2 H LEU 2 4.338 -0.275 -0.711
5 HA LEU 2 HA LEU 2 6.455 1.499 -0.810
6 HB2 LEU 2 HB2 LEU 2 4.474 0.788 -2.507
7 HB3 LEU 2 HB3 LEU 2 3.966 2.423 -2.087
8 HG LEU 2 HG LEU 2 6.514 2.931 -2.704
9 HD11 LEU 2 HD11 LEU 2 7.566 1.288 -3.752
10 HD12 LEU 2 HD12 LEU 2 6.299 1.251 -4.978
11 HD13 LEU 2 HD13 LEU 2 6.162 0.242 -3.538
12 HD21 LEU 2 HD21 LEU 2 4.158 2.666 -4.558
13 HD22 LEU 2 HD22 LEU 2 5.677 3.427 -5.028
14 HD23 LEU 2 HD23 LEU 2 4.719 4.108 -3.712
15 H PHE 3 H PHE 3 3.343 1.847 0.731
16 HA PHE 3 HA PHE 3 3.380 4.645 1.097
17 HB2 PHE 3 HB2 PHE 3 1.653 2.522 1.739
18 HB3 PHE 3 HB3 PHE 3 2.057 3.286 3.273
19 HD1 PHE 3 HD1 PHE 3 0.545 3.808 -0.036
20 HD2 PHE 3 HD2 PHE 3 1.262 5.463 3.820
21 HE1 PHE 3 HE1 PHE 3 -1.090 5.588 -0.499
22 HE2 PHE 3 HE2 PHE 3 -0.373 7.244 3.363
23 HZ PHE 3 HZ PHE 3 -1.551 7.308 1.202
24 H GLY 4 H GLY 4 4.387 1.975 3.223
25 HA2 GLY 4 HA2 GLY 4 5.218 3.581 5.382
26 HA3 GLY 4 HA3 GLY 4 5.757 1.939 5.064
27 H VAL 5 H VAL 5 6.686 2.977 2.332
28 HA VAL 5 HA VAL 5 9.362 3.639 3.217
29 HB VAL 5 HB VAL 5 8.370 3.393 0.378
30 HG11 VAL 5 HG11 VAL 5 10.734 2.877 -0.096
31 HG12 VAL 5 HG12 VAL 5 10.517 4.496 0.573
32 HG13 VAL 5 HG13 VAL 5 11.122 3.191 1.595
33 HG21 VAL 5 HG21 VAL 5 8.867 1.352 2.421
34 HG22 VAL 5 HG22 VAL 5 7.947 1.254 0.919
35 HG23 VAL 5 HG23 VAL 5 9.701 1.073 0.892
36 H LEU 6 H LEU 6 6.622 5.242 1.795
37 HA LEU 6 HA LEU 6 7.941 7.516 0.771
38 HB2 LEU 6 HB2 LEU 6 5.326 6.567 0.895
39 HB3 LEU 6 HB3 LEU 6 5.293 8.092 1.779
40 HG LEU 6 HG LEU 6 6.194 7.706 -1.075
41 HD11 LEU 6 HD11 LEU 6 3.968 7.716 -1.390
42 HD12 LEU 6 HD12 LEU 6 4.139 9.453 -1.144
43 HD13 LEU 6 HD13 LEU 6 3.638 8.419 0.193
44 HD21 LEU 6 HD21 LEU 6 6.148 10.245 -1.031
45 HD22 LEU 6 HD22 LEU 6 7.499 9.462 -0.209
46 HD23 LEU 6 HD23 LEU 6 6.151 10.110 0.728
47 H ALA 7 H ALA 7 6.805 6.662 3.966
48 HA ALA 7 HA ALA 7 7.330 9.331 5.002
49 HB1 ALA 7 HB1 ALA 7 6.526 8.404 7.145
50 HB2 ALA 7 HB2 ALA 7 5.365 8.202 5.832
51 HB3 ALA 7 HB3 ALA 7 6.339 6.832 6.367
52 H LYS 8 H LYS 8 8.816 6.196 4.855
53 HA LYS 8 HA LYS 8 10.607 6.360 6.989
54 HB2 LYS 8 HB2 LYS 8 10.183 4.660 4.752
55 HB3 LYS 8 HB3 LYS 8 11.888 5.087 4.771
56 HG2 LYS 8 HG2 LYS 8 11.791 4.445 7.267
57 HG3 LYS 8 HG3 LYS 8 10.288 3.627 6.832
58 HD2 LYS 8 HD2 LYS 8 11.522 1.884 6.201
59 HD3 LYS 8 HD3 LYS 8 12.117 2.873 4.866
60 HE2 LYS 8 HE2 LYS 8 14.003 3.588 6.147
61 HE3 LYS 8 HE3 LYS 8 13.356 2.853 7.612
62 HZ1 LYS 8 HZ1 LYS 8 14.498 1.046 7.087
63 HZ2 LYS 8 HZ2 LYS 8 14.948 1.680 5.585
64 HZ3 LYS 8 HZ3 LYS 8 13.495 0.829 5.742
65 H VAL 9 H VAL 9 10.598 7.963 3.918
66 HA VAL 9 HA VAL 9 13.338 8.635 3.762
67 HB VAL 9 HB VAL 9 11.039 10.252 2.662
68 HG11 VAL 9 HG11 VAL 9 12.696 10.867 0.931
69 HG12 VAL 9 HG12 VAL 9 13.156 11.405 2.547
70 HG13 VAL 9 HG13 VAL 9 13.927 9.987 1.836
71 HG21 VAL 9 HG21 VAL 9 10.642 8.069 1.875
72 HG22 VAL 9 HG22 VAL 9 11.498 8.885 0.566
73 HG23 VAL 9 HG23 VAL 9 12.360 7.762 1.618
74 H ALA 10 H ALA 10 10.550 10.282 5.191
75 HA ALA 10 HA ALA 10 12.065 12.583 5.992
76 HB1 ALA 10 HB1 ALA 10 9.324 11.668 6.857
77 HB2 ALA 10 HB2 ALA 10 10.031 13.253 7.170
78 HB3 ALA 10 HB3 ALA 10 9.680 12.756 5.515
79 H ALA 11 H ALA 11 10.949 9.617 7.540
80 HA ALA 11 HA ALA 11 11.771 10.361 10.170
81 HB1 ALA 11 HB1 ALA 11 10.904 7.800 8.888
82 HB2 ALA 11 HB2 ALA 11 11.572 7.805 10.520
83 HB3 ALA 11 HB3 ALA 11 10.119 8.737 10.160
84 H HIS 12 H HIS 12 13.358 8.991 7.417
85 HA HIS 12 HA HIS 12 15.805 8.670 9.025
86 HB2 HIS 12 HB2 HIS 12 14.884 6.475 8.325
87 HB3 HIS 12 HB3 HIS 12 15.003 6.985 6.643
88 HD1 HIS 12 HD1 HIS 12 16.525 4.598 6.952
89 HD2 HIS 12 HD2 HIS 12 18.143 8.227 8.164
90 HE1 HIS 12 HE1 HIS 12 19.013 4.236 7.020
91 HB2 I4G 13 HB2 I4G 13 18.108 12.067 7.097
92 HB3 I4G 13 HB3 I4G 13 17.257 11.392 5.706
93 HG I4G 13 HG I4G 13 15.430 13.101 7.220
94 HD13 I4G 13 HD13 I4G 13 18.043 14.445 6.324
95 HD11 I4G 13 HD11 I4G 13 16.571 15.301 6.820
96 HD12 I4G 13 HD12 I4G 13 17.463 14.324 7.990
97 HD23 I4G 13 HD23 I4G 13 15.168 12.451 4.833
98 HD22 I4G 13 HD22 I4G 13 16.631 13.356 4.413
99 HD21 I4G 13 HD21 I4G 13 15.196 14.211 5.008
100 HA2 I4G 13 HA2 I4G 13 16.443 12.364 9.035
101 HA3 I4G 13 HA3 I4G 13 15.269 11.063 9.305
102 H VAL 14 H VAL 14 16.014 11.134 11.428
103 HA VAL 14 HA VAL 14 18.393 9.442 11.789
104 HB VAL 14 HB VAL 14 17.656 11.554 13.796
105 HG11 VAL 14 HG11 VAL 14 20.441 10.713 13.413
106 HG12 VAL 14 HG12 VAL 14 19.509 10.918 14.897
107 HG13 VAL 14 HG13 VAL 14 19.351 9.437 13.953
108 HG21 VAL 14 HG21 VAL 14 18.203 13.090 12.251
109 HG22 VAL 14 HG22 VAL 14 19.859 12.573 12.568
110 HG23 VAL 14 HG23 VAL 14 18.974 11.903 11.198
111 H GLY 15 H GLY 15 15.458 8.917 11.690
112 HA2 GLY 15 HA2 GLY 15 14.385 8.467 14.232
113 HA3 GLY 15 HA3 GLY 15 13.945 7.581 12.780
114 H ALA 16 H ALA 16 16.253 6.255 12.165
115 HA ALA 16 HA ALA 16 16.154 3.984 13.727
116 HB1 ALA 16 HB1 ALA 16 18.395 3.435 12.716
117 HB2 ALA 16 HB2 ALA 16 17.120 3.845 11.568
118 HB3 ALA 16 HB3 ALA 16 18.359 5.033 11.970
119 H ILE 17 H ILE 17 19.020 6.102 13.671
120 HA ILE 17 HA ILE 17 20.213 5.146 15.966
121 HB ILE 17 HB ILE 17 20.306 7.986 14.940
122 HG12 ILE 17 HG12 ILE 17 22.221 5.708 14.410
123 HG13 ILE 17 HG13 ILE 17 20.934 6.177 13.305
124 HG21 ILE 17 HG21 ILE 17 21.588 6.651 17.187
125 HG22 ILE 17 HG22 ILE 17 22.737 7.410 16.086
126 HG23 ILE 17 HG23 ILE 17 21.451 8.370 16.818
127 HD11 ILE 17 HD11 ILE 17 22.763 7.259 12.428
128 HD12 ILE 17 HD12 ILE 17 22.039 8.518 13.429
129 HD13 ILE 17 HD13 ILE 17 23.441 7.623 14.014
130 H ALA 18 H ALA 18 17.662 7.533 15.636
131 HA ALA 18 HA ALA 18 17.711 8.574 18.243
132 HB1 ALA 18 HB1 ALA 18 15.379 8.278 16.353
133 HB2 ALA 18 HB2 ALA 18 15.402 9.287 17.800
134 HB3 ALA 18 HB3 ALA 18 16.479 9.653 16.453
135 H GLU 19 H GLU 19 15.731 5.952 16.861
136 HA GLU 19 HA GLU 19 14.362 5.273 19.198
137 HB2 GLU 19 HB2 GLU 19 14.404 4.364 16.590
138 HB3 GLU 19 HB3 GLU 19 15.000 2.982 17.498
139 HG2 GLU 19 HG2 GLU 19 12.798 3.932 18.934
140 HG3 GLU 19 HG3 GLU 19 12.323 3.980 17.238
141 H HIS 20 H HIS 20 17.622 4.692 18.262
142 HA HIS 20 HA HIS 20 18.017 2.543 20.173
143 HB2 HIS 20 HB2 HIS 20 19.785 3.939 18.183
144 HB3 HIS 20 HB3 HIS 20 20.475 2.898 19.424
145 HD1 HIS 20 HD1 HIS 20 18.336 0.644 19.351
146 HD2 HIS 20 HD2 HIS 20 20.125 2.329 16.001
147 HE1 HIS 20 HE1 HIS 20 18.127 -1.084 17.537
148 H PHE 21 H PHE 21 18.992 5.925 19.757
149 HA PHE 21 HA PHE 21 20.590 6.124 22.055
150 HB2 PHE 21 HB2 PHE 21 19.315 7.990 20.168
151 HB3 PHE 21 HB3 PHE 21 19.584 8.650 21.778
152 HD1 PHE 21 HD1 PHE 21 21.413 6.645 19.215
153 HD2 PHE 21 HD2 PHE 21 21.574 9.719 22.155
154 HE1 PHE 21 HE1 PHE 21 23.769 7.065 18.642
155 HE2 PHE 21 HE2 PHE 21 23.930 10.144 21.586
156 HZ PHE 21 HZ PHE 21 25.030 8.818 19.827
157 HN1 NH2 22 HN1 NH2 22 17.004 6.794 21.463
158 HN2 NH2 22 HN2 NH2 22 16.520 6.854 23.186
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.821 -0.818 -0.581
2 HA2 GLY 1 HA2 GLY 1 1.519 0.142 -2.751
3 HA3 GLY 1 HA3 GLY 1 0.896 1.152 -1.455
4 H LEU 2 H LEU 2 2.292 2.228 -3.588
5 HA LEU 2 HA LEU 2 5.056 2.585 -2.967
6 HB2 LEU 2 HB2 LEU 2 4.300 2.805 -5.239
7 HB3 LEU 2 HB3 LEU 2 3.188 4.094 -4.786
8 HG LEU 2 HG LEU 2 5.304 5.397 -4.111
9 HD11 LEU 2 HD11 LEU 2 7.320 4.774 -5.342
10 HD12 LEU 2 HD12 LEU 2 6.523 3.309 -5.913
11 HD13 LEU 2 HD13 LEU 2 6.854 3.519 -4.194
12 HD21 LEU 2 HD21 LEU 2 5.245 6.464 -6.127
13 HD22 LEU 2 HD22 LEU 2 3.760 5.520 -6.252
14 HD23 LEU 2 HD23 LEU 2 5.231 4.961 -7.050
15 H PHE 3 H PHE 3 2.097 4.249 -2.158
16 HA PHE 3 HA PHE 3 3.107 6.714 -1.341
17 HB2 PHE 3 HB2 PHE 3 0.630 5.397 -1.254
18 HB3 PHE 3 HB3 PHE 3 0.990 5.825 0.415
19 HD1 PHE 3 HD1 PHE 3 1.038 7.331 -2.995
20 HD2 PHE 3 HD2 PHE 3 0.370 7.904 1.170
21 HE1 PHE 3 HE1 PHE 3 0.302 9.638 -3.434
22 HE2 PHE 3 HE2 PHE 3 -0.368 10.211 0.738
23 HZ PHE 3 HZ PHE 3 -0.403 11.080 -1.566
24 H GLY 4 H GLY 4 2.613 3.747 0.565
25 HA2 GLY 4 HA2 GLY 4 3.498 4.712 3.027
26 HA3 GLY 4 HA3 GLY 4 3.577 3.031 2.520
27 H VAL 5 H VAL 5 5.318 3.816 0.207
28 HA VAL 5 HA VAL 5 7.811 3.348 1.453
29 HB VAL 5 HB VAL 5 7.387 4.419 -1.337
30 HG11 VAL 5 HG11 VAL 5 9.482 3.203 -1.806
31 HG12 VAL 5 HG12 VAL 5 9.694 4.481 -0.607
32 HG13 VAL 5 HG13 VAL 5 9.605 2.795 -0.095
33 HG21 VAL 5 HG21 VAL 5 7.224 1.599 -0.294
34 HG22 VAL 5 HG22 VAL 5 5.978 2.508 -1.148
35 HG23 VAL 5 HG23 VAL 5 7.435 1.996 -1.999
36 H LEU 6 H LEU 6 6.176 6.258 0.389
37 HA LEU 6 HA LEU 6 8.399 8.001 0.503
38 HB2 LEU 6 HB2 LEU 6 5.690 8.183 -0.157
39 HB3 LEU 6 HB3 LEU 6 5.916 9.301 1.187
40 HG LEU 6 HG LEU 6 7.570 9.353 -1.333
41 HD11 LEU 6 HD11 LEU 6 5.324 11.226 -0.648
42 HD12 LEU 6 HD12 LEU 6 5.092 9.793 -1.649
43 HD13 LEU 6 HD13 LEU 6 6.196 11.065 -2.173
44 HD21 LEU 6 HD21 LEU 6 7.419 10.992 1.148
45 HD22 LEU 6 HD22 LEU 6 7.787 11.796 -0.379
46 HD23 LEU 6 HD23 LEU 6 8.824 10.494 0.205
47 H ALA 7 H ALA 7 6.047 6.943 2.897
48 HA ALA 7 HA ALA 7 7.055 8.743 4.922
49 HB1 ALA 7 HB1 ALA 7 4.857 6.765 4.732
50 HB2 ALA 7 HB2 ALA 7 5.499 7.114 6.337
51 HB3 ALA 7 HB3 ALA 7 4.847 8.418 5.346
52 H LYS 8 H LYS 8 7.626 5.498 3.860
53 HA LYS 8 HA LYS 8 8.675 4.345 6.173
54 HB2 LYS 8 HB2 LYS 8 8.512 3.694 3.412
55 HB3 LYS 8 HB3 LYS 8 10.183 3.464 3.908
56 HG2 LYS 8 HG2 LYS 8 7.836 2.280 5.370
57 HG3 LYS 8 HG3 LYS 8 8.731 1.442 4.100
58 HD2 LYS 8 HD2 LYS 8 10.620 2.478 5.941
59 HD3 LYS 8 HD3 LYS 8 9.354 1.672 6.871
60 HE2 LYS 8 HE2 LYS 8 9.638 -0.343 5.530
61 HE3 LYS 8 HE3 LYS 8 10.869 0.463 4.559
62 HZ1 LYS 8 HZ1 LYS 8 11.105 -0.791 7.122
63 HZ2 LYS 8 HZ2 LYS 8 11.744 0.775 7.116
64 HZ3 LYS 8 HZ3 LYS 8 12.312 -0.373 6.011
65 H VAL 9 H VAL 9 10.016 6.703 4.010
66 HA VAL 9 HA VAL 9 12.746 6.397 4.576
67 HB VAL 9 HB VAL 9 11.354 9.011 3.987
68 HG11 VAL 9 HG11 VAL 9 13.578 9.435 2.822
69 HG12 VAL 9 HG12 VAL 9 13.587 9.443 4.587
70 HG13 VAL 9 HG13 VAL 9 14.182 8.035 3.707
71 HG21 VAL 9 HG21 VAL 9 12.130 6.744 2.183
72 HG22 VAL 9 HG22 VAL 9 10.603 7.622 2.266
73 HG23 VAL 9 HG23 VAL 9 12.030 8.400 1.584
74 H ALA 10 H ALA 10 10.231 8.297 6.188
75 HA ALA 10 HA ALA 10 11.914 9.612 8.026
76 HB1 ALA 10 HB1 ALA 10 9.109 8.919 8.758
77 HB2 ALA 10 HB2 ALA 10 9.999 10.424 8.996
78 HB3 ALA 10 HB3 ALA 10 9.401 9.998 7.393
79 H ALA 11 H ALA 11 10.608 6.403 7.939
80 HA ALA 11 HA ALA 11 11.134 5.891 10.744
81 HB1 ALA 11 HB1 ALA 11 9.789 4.123 10.507
82 HB2 ALA 11 HB2 ALA 11 9.384 4.808 8.933
83 HB3 ALA 11 HB3 ALA 11 10.628 3.564 9.059
84 H HIS 12 H HIS 12 12.725 5.521 7.691
85 HA HIS 12 HA HIS 12 14.967 4.191 9.059
86 HB2 HIS 12 HB2 HIS 12 13.545 2.810 7.333
87 HB3 HIS 12 HB3 HIS 12 14.469 3.722 6.143
88 HD1 HIS 12 HD1 HIS 12 15.271 1.665 9.252
89 HD2 HIS 12 HD2 HIS 12 16.719 2.423 5.432
90 HE1 HIS 12 HE1 HIS 12 17.293 0.192 8.995
91 HB2 I4G 13 HB2 I4G 13 16.260 8.892 8.617
92 HB3 I4G 13 HB3 I4G 13 17.513 7.746 8.137
93 HG I4G 13 HG I4G 13 15.517 7.673 6.068
94 HD13 I4G 13 HD13 I4G 13 16.320 10.543 6.811
95 HD11 I4G 13 HD11 I4G 13 15.513 10.065 5.306
96 HD12 I4G 13 HD12 I4G 13 14.679 9.887 6.853
97 HD23 I4G 13 HD23 I4G 13 17.956 7.265 5.790
98 HD22 I4G 13 HD22 I4G 13 18.292 8.972 6.122
99 HD21 I4G 13 HD21 I4G 13 17.393 8.509 4.666
100 HA2 I4G 13 HA2 I4G 13 14.207 7.641 9.780
101 HA3 I4G 13 HA3 I4G 13 14.819 6.021 10.164
102 H VAL 14 H VAL 14 14.526 8.631 11.585
103 HA VAL 14 HA VAL 14 17.305 8.849 12.545
104 HB VAL 14 HB VAL 14 15.162 10.877 13.120
105 HG11 VAL 14 HG11 VAL 14 17.654 10.579 14.138
106 HG12 VAL 14 HG12 VAL 14 17.976 11.652 12.775
107 HG13 VAL 14 HG13 VAL 14 16.810 12.122 14.012
108 HG21 VAL 14 HG21 VAL 14 16.552 10.375 10.586
109 HG22 VAL 14 HG22 VAL 14 15.070 11.274 10.909
110 HG23 VAL 14 HG23 VAL 14 16.638 12.042 11.156
111 H GLY 15 H GLY 15 15.189 6.866 13.289
112 HA2 GLY 15 HA2 GLY 15 14.312 7.537 15.933
113 HA3 GLY 15 HA3 GLY 15 14.219 5.954 15.174
114 H ALA 16 H ALA 16 16.644 5.099 14.768
115 HA ALA 16 HA ALA 16 17.617 4.278 17.214
116 HB1 ALA 16 HB1 ALA 16 18.137 3.277 14.980
117 HB2 ALA 16 HB2 ALA 16 19.308 4.574 14.740
118 HB3 ALA 16 HB3 ALA 16 19.521 3.427 16.063
119 H ILE 17 H ILE 17 18.370 7.178 15.408
120 HA ILE 17 HA ILE 17 20.731 7.994 16.572
121 HB ILE 17 HB ILE 17 18.375 9.712 15.787
122 HG12 ILE 17 HG12 ILE 17 19.245 8.371 13.942
123 HG13 ILE 17 HG13 ILE 17 19.665 10.064 13.710
124 HG21 ILE 17 HG21 ILE 17 20.375 11.388 15.477
125 HG22 ILE 17 HG22 ILE 17 19.590 11.193 17.043
126 HG23 ILE 17 HG23 ILE 17 21.122 10.382 16.718
127 HD11 ILE 17 HD11 ILE 17 21.790 8.887 15.128
128 HD12 ILE 17 HD12 ILE 17 21.369 7.789 13.814
129 HD13 ILE 17 HD13 ILE 17 21.775 9.469 13.463
130 H ALA 18 H ALA 18 17.456 8.204 17.850
131 HA ALA 18 HA ALA 18 18.161 9.782 20.126
132 HB1 ALA 18 HB1 ALA 18 15.813 9.179 18.926
133 HB2 ALA 18 HB2 ALA 18 15.758 8.098 20.319
134 HB3 ALA 18 HB3 ALA 18 15.954 9.835 20.557
135 H GLU 19 H GLU 19 17.482 6.324 19.637
136 HA GLU 19 HA GLU 19 17.813 5.500 22.284
137 HB2 GLU 19 HB2 GLU 19 17.243 4.265 19.880
138 HB3 GLU 19 HB3 GLU 19 18.799 3.574 20.319
139 HG2 GLU 19 HG2 GLU 19 17.270 3.531 22.658
140 HG3 GLU 19 HG3 GLU 19 16.190 3.010 21.367
141 H HIS 20 H HIS 20 20.130 6.485 19.939
142 HA HIS 20 HA HIS 20 22.367 5.232 21.300
143 HB2 HIS 20 HB2 HIS 20 21.909 6.512 18.721
144 HB3 HIS 20 HB3 HIS 20 23.411 7.042 19.471
145 HD1 HIS 20 HD1 HIS 20 25.218 5.188 19.923
146 HD2 HIS 20 HD2 HIS 20 21.920 3.931 17.731
147 HE1 HIS 20 HE1 HIS 20 25.887 2.989 18.903
148 H PHE 21 H PHE 21 20.927 8.421 20.938
149 HA PHE 21 HA PHE 21 22.903 9.490 22.840
150 HB2 PHE 21 HB2 PHE 21 21.187 10.880 20.778
151 HB3 PHE 21 HB3 PHE 21 22.113 11.740 22.005
152 HD1 PHE 21 HD1 PHE 21 24.663 10.657 22.127
153 HD2 PHE 21 HD2 PHE 21 22.146 10.957 18.708
154 HE1 PHE 21 HE1 PHE 21 26.644 10.605 20.669
155 HE2 PHE 21 HE2 PHE 21 24.123 10.905 17.244
156 HZ PHE 21 HZ PHE 21 26.376 10.729 18.224
157 HN1 NH2 22 HN1 NH2 22 20.801 7.759 23.857
158 HN2 NH2 22 HN2 NH2 22 19.656 8.749 24.813
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.157 9.031 -1.540
2 HA2 GLY 1 HA2 GLY 1 1.635 6.359 -2.248
3 HA3 GLY 1 HA3 GLY 1 2.144 7.762 -3.176
4 H LEU 2 H LEU 2 4.257 8.016 -3.442
5 HA LEU 2 HA LEU 2 6.164 6.247 -2.479
6 HB2 LEU 2 HB2 LEU 2 6.265 8.948 -3.725
7 HB3 LEU 2 HB3 LEU 2 7.743 8.292 -3.023
8 HG LEU 2 HG LEU 2 7.563 7.926 -5.461
9 HD11 LEU 2 HD11 LEU 2 8.283 5.652 -5.433
10 HD12 LEU 2 HD12 LEU 2 7.436 5.343 -3.918
11 HD13 LEU 2 HD13 LEU 2 8.839 6.411 -3.941
12 HD21 LEU 2 HD21 LEU 2 5.265 6.110 -4.739
13 HD22 LEU 2 HD22 LEU 2 5.961 6.342 -6.343
14 HD23 LEU 2 HD23 LEU 2 5.112 7.669 -5.549
15 H PHE 3 H PHE 3 5.299 9.472 -1.277
16 HA PHE 3 HA PHE 3 7.226 9.719 0.709
17 HB2 PHE 3 HB2 PHE 3 5.108 11.233 -0.146
18 HB3 PHE 3 HB3 PHE 3 4.577 10.744 1.459
19 HD1 PHE 3 HD1 PHE 3 7.835 11.794 -0.035
20 HD2 PHE 3 HD2 PHE 3 4.938 12.365 3.031
21 HE1 PHE 3 HE1 PHE 3 9.239 13.553 0.960
22 HE2 PHE 3 HE2 PHE 3 6.336 14.125 4.029
23 HZ PHE 3 HZ PHE 3 8.489 14.722 2.994
24 H GLY 4 H GLY 4 4.133 8.031 0.748
25 HA2 GLY 4 HA2 GLY 4 4.170 7.452 3.544
26 HA3 GLY 4 HA3 GLY 4 3.145 6.688 2.338
27 H VAL 5 H VAL 5 5.665 6.007 0.786
28 HA VAL 5 HA VAL 5 6.079 3.442 2.052
29 HB VAL 5 HB VAL 5 7.411 4.498 -0.442
30 HG11 VAL 5 HG11 VAL 5 7.641 2.114 -0.994
31 HG12 VAL 5 HG12 VAL 5 8.475 2.530 0.505
32 HG13 VAL 5 HG13 VAL 5 6.922 1.695 0.561
33 HG21 VAL 5 HG21 VAL 5 4.658 3.600 0.037
34 HG22 VAL 5 HG22 VAL 5 5.322 4.579 -1.271
35 HG23 VAL 5 HG23 VAL 5 5.462 2.822 -1.326
36 H LEU 6 H LEU 6 8.097 6.224 1.144
37 HA LEU 6 HA LEU 6 10.518 5.195 2.152
38 HB2 LEU 6 HB2 LEU 6 9.672 7.507 0.836
39 HB3 LEU 6 HB3 LEU 6 10.356 8.070 2.359
40 HG LEU 6 HG LEU 6 11.847 6.241 0.491
41 HD11 LEU 6 HD11 LEU 6 12.833 8.912 0.423
42 HD12 LEU 6 HD12 LEU 6 11.121 8.925 0.000
43 HD13 LEU 6 HD13 LEU 6 12.245 7.912 -0.906
44 HD21 LEU 6 HD21 LEU 6 12.660 8.022 2.782
45 HD22 LEU 6 HD22 LEU 6 13.794 7.210 1.702
46 HD23 LEU 6 HD23 LEU 6 12.714 6.260 2.725
47 H ALA 7 H ALA 7 7.865 6.902 3.657
48 HA ALA 7 HA ALA 7 9.134 7.698 6.032
49 HB1 ALA 7 HB1 ALA 7 7.068 8.687 5.672
50 HB2 ALA 7 HB2 ALA 7 6.285 7.152 5.293
51 HB3 ALA 7 HB3 ALA 7 6.727 7.529 6.959
52 H LYS 8 H LYS 8 7.709 4.646 5.046
53 HA LYS 8 HA LYS 8 7.532 3.382 7.527
54 HB2 LYS 8 HB2 LYS 8 7.283 2.647 4.793
55 HB3 LYS 8 HB3 LYS 8 8.361 1.485 5.554
56 HG2 LYS 8 HG2 LYS 8 6.552 1.339 7.384
57 HG3 LYS 8 HG3 LYS 8 5.502 2.094 6.182
58 HD2 LYS 8 HD2 LYS 8 7.128 -0.287 5.410
59 HD3 LYS 8 HD3 LYS 8 5.663 -0.518 6.366
60 HE2 LYS 8 HE2 LYS 8 4.687 1.120 4.500
61 HE3 LYS 8 HE3 LYS 8 5.989 0.390 3.563
62 HZ1 LYS 8 HZ1 LYS 8 4.179 -1.346 5.092
63 HZ2 LYS 8 HZ2 LYS 8 5.034 -1.674 3.670
64 HZ3 LYS 8 HZ3 LYS 8 3.650 -0.703 3.619
65 H VAL 9 H VAL 9 10.274 3.862 5.387
66 HA VAL 9 HA VAL 9 12.059 2.071 6.637
67 HB VAL 9 HB VAL 9 12.808 4.626 5.216
68 HG11 VAL 9 HG11 VAL 9 14.500 3.179 6.557
69 HG12 VAL 9 HG12 VAL 9 14.369 2.077 5.185
70 HG13 VAL 9 HG13 VAL 9 14.921 3.734 4.937
71 HG21 VAL 9 HG21 VAL 9 13.003 3.092 3.206
72 HG22 VAL 9 HG22 VAL 9 12.045 1.929 4.122
73 HG23 VAL 9 HG23 VAL 9 11.366 3.505 3.717
74 H ALA 10 H ALA 10 11.388 5.508 7.159
75 HA ALA 10 HA ALA 10 13.411 6.022 9.027
76 HB1 ALA 10 HB1 ALA 10 11.821 7.651 7.810
77 HB2 ALA 10 HB2 ALA 10 10.738 7.363 9.173
78 HB3 ALA 10 HB3 ALA 10 12.344 8.040 9.449
79 H ALA 11 H ALA 11 10.081 4.891 9.472
80 HA ALA 11 HA ALA 11 10.343 4.767 12.339
81 HB1 ALA 11 HB1 ALA 11 8.188 5.270 11.287
82 HB2 ALA 11 HB2 ALA 11 8.176 3.666 10.552
83 HB3 ALA 11 HB3 ALA 11 8.097 3.833 12.306
84 H HIS 12 H HIS 12 11.339 2.817 9.802
85 HA HIS 12 HA HIS 12 11.785 0.584 11.640
86 HB2 HIS 12 HB2 HIS 12 9.725 0.218 10.141
87 HB3 HIS 12 HB3 HIS 12 10.876 0.063 8.817
88 HD1 HIS 12 HD1 HIS 12 9.451 -2.393 9.040
89 HD2 HIS 12 HD2 HIS 12 12.575 -1.594 11.660
90 HE1 HIS 12 HE1 HIS 12 10.171 -4.632 9.931
91 HB2 I4G 13 HB2 I4G 13 15.641 1.788 9.189
92 HB3 I4G 13 HB3 I4G 13 16.167 2.294 10.796
93 HG I4G 13 HG I4G 13 17.378 0.315 10.649
94 HD13 I4G 13 HD13 I4G 13 14.634 -0.785 11.481
95 HD11 I4G 13 HD11 I4G 13 16.186 -1.602 11.746
96 HD12 I4G 13 HD12 I4G 13 15.836 -0.079 12.569
97 HD23 I4G 13 HD23 I4G 13 16.652 -0.162 8.318
98 HD22 I4G 13 HD22 I4G 13 15.149 -0.879 8.920
99 HD21 I4G 13 HD21 I4G 13 16.706 -1.647 9.278
100 HA2 I4G 13 HA2 I4G 13 13.013 2.057 12.378
101 HA3 I4G 13 HA3 I4G 13 14.629 1.474 12.818
102 H VAL 14 H VAL 14 14.188 3.380 14.210
103 HA VAL 14 HA VAL 14 14.966 5.885 12.894
104 HB VAL 14 HB VAL 14 14.231 5.622 15.797
105 HG11 VAL 14 HG11 VAL 14 14.189 7.870 15.821
106 HG12 VAL 14 HG12 VAL 14 15.199 7.722 14.381
107 HG13 VAL 14 HG13 VAL 14 13.461 7.976 14.218
108 HG21 VAL 14 HG21 VAL 14 12.412 4.595 14.575
109 HG22 VAL 14 HG22 VAL 14 11.910 6.178 15.169
110 HG23 VAL 14 HG23 VAL 14 12.340 5.969 13.472
111 H GLY 15 H GLY 15 16.768 3.562 13.472
112 HA2 GLY 15 HA2 GLY 15 18.461 4.058 15.634
113 HA3 GLY 15 HA3 GLY 15 18.939 3.251 14.148
114 H ALA 16 H ALA 16 18.716 5.241 12.289
115 HA ALA 16 HA ALA 16 21.114 6.592 12.469
116 HB1 ALA 16 HB1 ALA 16 19.896 6.292 10.376
117 HB2 ALA 16 HB2 ALA 16 18.668 7.437 10.919
118 HB3 ALA 16 HB3 ALA 16 20.318 7.986 10.628
119 H ILE 17 H ILE 17 17.989 8.299 12.590
120 HA ILE 17 HA ILE 17 18.924 10.677 13.628
121 HB ILE 17 HB ILE 17 16.228 9.421 14.158
122 HG12 ILE 17 HG12 ILE 17 17.021 11.403 12.017
123 HG13 ILE 17 HG13 ILE 17 16.889 9.669 11.745
124 HG21 ILE 17 HG21 ILE 17 15.891 11.174 15.486
125 HG22 ILE 17 HG22 ILE 17 17.416 11.916 15.006
126 HG23 ILE 17 HG23 ILE 17 15.964 12.183 14.042
127 HD11 ILE 17 HD11 ILE 17 14.894 11.518 11.408
128 HD12 ILE 17 HD12 ILE 17 14.678 9.773 11.549
129 HD13 ILE 17 HD13 ILE 17 14.512 10.801 12.973
130 H ALA 18 H ALA 18 18.072 7.716 15.313
131 HA ALA 18 HA ALA 18 18.009 8.709 17.934
132 HB1 ALA 18 HB1 ALA 18 18.807 5.967 16.964
133 HB2 ALA 18 HB2 ALA 18 18.401 6.388 18.629
134 HB3 ALA 18 HB3 ALA 18 17.174 6.500 17.367
135 H GLU 19 H GLU 19 20.691 7.211 16.127
136 HA GLU 19 HA GLU 19 22.630 7.429 18.125
137 HB2 GLU 19 HB2 GLU 19 22.551 6.473 15.535
138 HB3 GLU 19 HB3 GLU 19 23.673 7.822 15.423
139 HG2 GLU 19 HG2 GLU 19 24.405 6.426 17.731
140 HG3 GLU 19 HG3 GLU 19 24.075 5.198 16.510
141 H HIS 20 H HIS 20 21.235 9.824 16.086
142 HA HIS 20 HA HIS 20 23.390 11.727 16.449
143 HB2 HIS 20 HB2 HIS 20 21.280 11.422 14.608
144 HB3 HIS 20 HB3 HIS 20 20.949 12.916 15.479
145 HD1 HIS 20 HD1 HIS 20 23.882 13.885 15.826
146 HD2 HIS 20 HD2 HIS 20 22.254 12.466 12.277
147 HE1 HIS 20 HE1 HIS 20 25.299 14.867 13.995
148 H PHE 21 H PHE 21 20.185 11.092 17.741
149 HA PHE 21 HA PHE 21 19.916 13.512 19.189
150 HB2 PHE 21 HB2 PHE 21 18.456 11.013 18.912
151 HB3 PHE 21 HB3 PHE 21 18.441 11.597 20.572
152 HD1 PHE 21 HD2 PHE 21 17.428 12.299 17.126
153 HD2 PHE 21 HD1 PHE 21 17.303 13.628 21.168
154 HE1 PHE 21 HE2 PHE 21 15.647 13.894 16.543
155 HE2 PHE 21 HE1 PHE 21 15.521 15.224 20.592
156 HZ PHE 21 HZ PHE 21 14.692 15.359 18.277
157 HN1 NH2 22 HN1 NH2 22 20.827 10.065 20.229
158 HN2 NH2 22 HN2 NH2 22 21.710 10.535 21.714
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.235 2.087 1.442
2 HA2 GLY 1 HA2 GLY 1 4.206 1.433 -0.117
3 HA3 GLY 1 HA3 GLY 1 3.145 2.095 -1.352
4 H LEU 2 H LEU 2 2.235 4.361 -0.642
5 HA LEU 2 HA LEU 2 4.392 6.141 -0.644
6 HB2 LEU 2 HB2 LEU 2 2.773 7.891 -0.433
7 HB3 LEU 2 HB3 LEU 2 2.127 6.642 -1.494
8 HG LEU 2 HG LEU 2 1.297 6.236 1.250
9 HD11 LEU 2 HD11 LEU 2 1.422 8.586 1.549
10 HD12 LEU 2 HD12 LEU 2 -0.272 8.197 1.253
11 HD13 LEU 2 HD13 LEU 2 0.710 8.893 -0.035
12 HD21 LEU 2 HD21 LEU 2 -0.861 6.022 0.234
13 HD22 LEU 2 HD22 LEU 2 0.321 5.228 -0.807
14 HD23 LEU 2 HD23 LEU 2 -0.303 6.821 -1.236
15 H PHE 3 H PHE 3 2.810 4.545 1.947
16 HA PHE 3 HA PHE 3 3.762 6.431 3.950
17 HB2 PHE 3 HB2 PHE 3 1.721 5.678 4.675
18 HB3 PHE 3 HB3 PHE 3 1.921 4.094 3.934
19 HD1 PHE 3 HD1 PHE 3 2.604 6.147 6.880
20 HD2 PHE 3 HD2 PHE 3 3.038 2.304 5.103
21 HE1 PHE 3 HE1 PHE 3 3.207 5.206 9.072
22 HE2 PHE 3 HE2 PHE 3 3.641 1.356 7.292
23 HZ PHE 3 HZ PHE 3 3.725 2.807 9.280
24 H GLY 4 H GLY 4 4.622 3.375 2.550
25 HA2 GLY 4 HA2 GLY 4 6.542 2.780 4.664
26 HA3 GLY 4 HA3 GLY 4 6.173 1.766 3.277
27 H VAL 5 H VAL 5 6.477 4.341 1.612
28 HA VAL 5 HA VAL 5 9.285 3.926 1.049
29 HB VAL 5 HB VAL 5 7.270 5.742 -0.284
30 HG11 VAL 5 HG11 VAL 5 8.910 5.897 -2.101
31 HG12 VAL 5 HG12 VAL 5 9.543 6.559 -0.593
32 HG13 VAL 5 HG13 VAL 5 10.056 4.962 -1.141
33 HG21 VAL 5 HG21 VAL 5 7.583 2.943 -0.383
34 HG22 VAL 5 HG22 VAL 5 6.552 3.956 -1.394
35 HG23 VAL 5 HG23 VAL 5 8.196 3.579 -1.910
36 H LEU 6 H LEU 6 7.263 6.332 2.554
37 HA LEU 6 HA LEU 6 9.226 8.419 2.521
38 HB2 LEU 6 HB2 LEU 6 6.497 8.176 3.161
39 HB3 LEU 6 HB3 LEU 6 7.304 8.733 4.625
40 HG LEU 6 HG LEU 6 7.340 10.090 1.931
41 HD11 LEU 6 HD11 LEU 6 6.320 11.884 3.640
42 HD12 LEU 6 HD12 LEU 6 5.736 10.398 4.388
43 HD13 LEU 6 HD13 LEU 6 5.330 10.758 2.711
44 HD21 LEU 6 HD21 LEU 6 9.095 10.307 4.230
45 HD22 LEU 6 HD22 LEU 6 8.310 11.838 3.842
46 HD23 LEU 6 HD23 LEU 6 9.257 10.996 2.615
47 H ALA 7 H ALA 7 8.259 5.900 4.769
48 HA ALA 7 HA ALA 7 9.851 6.875 6.942
49 HB1 ALA 7 HB1 ALA 7 7.862 5.505 7.327
50 HB2 ALA 7 HB2 ALA 7 8.641 4.146 6.517
51 HB3 ALA 7 HB3 ALA 7 9.301 4.766 8.030
52 H LYS 8 H LYS 8 10.394 4.847 4.187
53 HA LYS 8 HA LYS 8 12.581 3.343 5.045
54 HB2 LYS 8 HB2 LYS 8 11.255 3.876 2.589
55 HB3 LYS 8 HB3 LYS 8 12.976 4.120 2.321
56 HG2 LYS 8 HG2 LYS 8 11.827 1.644 3.582
57 HG3 LYS 8 HG3 LYS 8 12.141 1.812 1.853
58 HD2 LYS 8 HD2 LYS 8 14.488 2.115 2.248
59 HD3 LYS 8 HD3 LYS 8 14.233 2.184 3.994
60 HE2 LYS 8 HE2 LYS 8 13.174 -0.235 2.738
61 HE3 LYS 8 HE3 LYS 8 14.920 -0.054 2.568
62 HZ1 LYS 8 HZ1 LYS 8 13.486 -0.899 4.810
63 HZ2 LYS 8 HZ2 LYS 8 14.206 0.580 5.204
64 HZ3 LYS 8 HZ3 LYS 8 15.159 -0.705 4.655
65 H VAL 9 H VAL 9 12.442 6.604 3.676
66 HA VAL 9 HA VAL 9 15.235 7.008 3.518
67 HB VAL 9 HB VAL 9 13.140 9.147 3.899
68 HG11 VAL 9 HG11 VAL 9 15.285 10.095 4.128
69 HG12 VAL 9 HG12 VAL 9 15.939 9.135 2.801
70 HG13 VAL 9 HG13 VAL 9 14.795 10.436 2.469
71 HG21 VAL 9 HG21 VAL 9 13.705 7.375 1.623
72 HG22 VAL 9 HG22 VAL 9 12.248 8.287 2.018
73 HG23 VAL 9 HG23 VAL 9 13.605 9.092 1.230
74 H ALA 10 H ALA 10 12.847 7.756 6.025
75 HA ALA 10 HA ALA 10 14.627 9.113 7.756
76 HB1 ALA 10 HB1 ALA 10 12.906 9.002 9.386
77 HB2 ALA 10 HB2 ALA 10 12.116 9.210 7.823
78 HB3 ALA 10 HB3 ALA 10 12.149 7.622 8.589
79 H ALA 11 H ALA 11 14.027 5.761 7.140
80 HA ALA 11 HA ALA 11 15.529 4.970 9.534
81 HB1 ALA 11 HB1 ALA 11 14.003 3.231 7.599
82 HB2 ALA 11 HB2 ALA 11 14.719 2.728 9.131
83 HB3 ALA 11 HB3 ALA 11 13.367 3.860 9.119
84 H HIS 12 H HIS 12 16.155 5.790 6.425
85 HA HIS 12 HA HIS 12 18.527 4.051 6.334
86 HB2 HIS 12 HB2 HIS 12 16.804 3.344 4.666
87 HB3 HIS 12 HB3 HIS 12 16.936 4.933 3.918
88 HD1 HIS 12 HD1 HIS 12 17.564 2.973 1.948
89 HD2 HIS 12 HD2 HIS 12 20.437 4.056 4.747
90 HE1 HIS 12 HE1 HIS 12 19.769 2.312 0.937
91 HB2 I4G 13 HB2 I4G 13 21.038 7.824 7.598
92 HB3 I4G 13 HB3 I4G 13 21.262 7.510 5.876
93 HG I4G 13 HG I4G 13 19.329 8.874 5.284
94 HD13 I4G 13 HD13 I4G 13 18.768 9.110 8.294
95 HD11 I4G 13 HD11 I4G 13 17.897 9.984 7.020
96 HD12 I4G 13 HD12 I4G 13 17.778 8.224 7.126
97 HD23 I4G 13 HD23 I4G 13 21.426 10.122 5.768
98 HD22 I4G 13 HD22 I4G 13 20.944 10.296 7.464
99 HD21 I4G 13 HD21 I4G 13 20.005 11.089 6.187
100 HA2 I4G 13 HA2 I4G 13 19.877 4.596 7.683
101 HA3 I4G 13 HA3 I4G 13 20.846 5.905 8.385
102 H VAL 14 H VAL 14 19.959 4.722 10.249
103 HA VAL 14 HA VAL 14 17.275 5.656 10.978
104 HB VAL 14 HB VAL 14 18.973 3.823 12.649
105 HG11 VAL 14 HG11 VAL 14 16.061 3.488 12.472
106 HG12 VAL 14 HG12 VAL 14 17.121 3.501 13.883
107 HG13 VAL 14 HG13 VAL 14 16.593 5.021 13.160
108 HG21 VAL 14 HG21 VAL 14 17.161 3.040 10.369
109 HG22 VAL 14 HG22 VAL 14 18.909 2.820 10.445
110 HG23 VAL 14 HG23 VAL 14 17.859 1.923 11.541
111 H GLY 15 H GLY 15 19.757 7.332 10.872
112 HA2 GLY 15 HA2 GLY 15 20.750 7.900 13.417
113 HA3 GLY 15 HA3 GLY 15 20.675 9.048 12.088
114 H ALA 16 H ALA 16 17.986 9.368 11.727
115 HA ALA 16 HA ALA 16 17.288 11.286 13.582
116 HB1 ALA 16 HB1 ALA 16 15.984 9.924 11.382
117 HB2 ALA 16 HB2 ALA 16 14.850 10.344 12.667
118 HB3 ALA 16 HB3 ALA 16 15.840 11.598 11.920
119 H ILE 17 H ILE 17 15.519 8.205 13.317
120 HA ILE 17 HA ILE 17 14.239 8.319 15.757
121 HB ILE 17 HB ILE 17 15.205 5.825 14.352
122 HG12 ILE 17 HG12 ILE 17 12.518 7.204 14.185
123 HG13 ILE 17 HG13 ILE 17 13.789 7.370 12.979
124 HG21 ILE 17 HG21 ILE 17 12.812 5.300 15.663
125 HG22 ILE 17 HG22 ILE 17 14.419 4.750 16.133
126 HG23 ILE 17 HG23 ILE 17 13.760 6.234 16.820
127 HD11 ILE 17 HD11 ILE 17 12.316 5.768 12.124
128 HD12 ILE 17 HD12 ILE 17 13.682 4.845 12.750
129 HD13 ILE 17 HD13 ILE 17 12.183 4.938 13.674
130 H ALA 18 H ALA 18 17.491 7.218 15.020
131 HA ALA 18 HA ALA 18 18.086 5.954 17.450
132 HB1 ALA 18 HB1 ALA 18 19.601 5.556 15.727
133 HB2 ALA 18 HB2 ALA 18 19.778 7.272 15.357
134 HB3 ALA 18 HB3 ALA 18 20.493 6.608 16.826
135 H GLU 19 H GLU 19 18.746 9.302 16.414
136 HA GLU 19 HA GLU 19 19.889 10.186 18.803
137 HB2 GLU 19 HB2 GLU 19 19.312 11.309 16.347
138 HB3 GLU 19 HB3 GLU 19 18.280 12.213 17.446
139 HG2 GLU 19 HG2 GLU 19 21.028 11.860 18.387
140 HG3 GLU 19 HG3 GLU 19 20.875 12.796 16.901
141 H HIS 20 H HIS 20 16.612 9.512 18.004
142 HA HIS 20 HA HIS 20 15.531 11.070 20.203
143 HB2 HIS 20 HB2 HIS 20 14.280 9.278 18.125
144 HB3 HIS 20 HB3 HIS 20 13.355 9.966 19.456
145 HD1 HIS 20 HD1 HIS 20 14.497 12.820 19.463
146 HD2 HIS 20 HD2 HIS 20 13.380 10.764 16.030
147 HE1 HIS 20 HE1 HIS 20 14.021 14.592 17.743
148 H PHE 21 H PHE 21 16.126 7.697 19.369
149 HA PHE 21 HA PHE 21 14.842 6.580 21.636
150 HB2 PHE 21 HB2 PHE 21 16.547 5.625 19.444
151 HB3 PHE 21 HB3 PHE 21 16.746 4.729 20.946
152 HD1 PHE 21 HD2 PHE 21 13.970 6.112 18.868
153 HD2 PHE 21 HD1 PHE 21 15.429 2.880 21.221
154 HE1 PHE 21 HE2 PHE 21 11.929 4.831 18.368
155 HE2 PHE 21 HE1 PHE 21 13.391 1.593 20.724
156 HZ PHE 21 HZ PHE 21 11.638 2.569 19.297
157 HN1 NH2 22 HN1 NH2 22 17.813 8.427 21.216
158 HN2 NH2 22 HN2 NH2 22 18.613 8.019 22.765
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -0.414 5.127 -0.140
2 HA2 GLY 1 HA2 GLY 1 1.043 4.126 -1.992
3 HA3 GLY 1 HA3 GLY 1 0.738 5.853 -2.112
4 H LEU 2 H LEU 2 2.628 6.421 -3.113
5 HA LEU 2 HA LEU 2 5.186 5.492 -2.422
6 HB2 LEU 2 HB2 LEU 2 4.063 7.665 -4.054
7 HB3 LEU 2 HB3 LEU 2 5.694 7.949 -3.451
8 HG LEU 2 HG LEU 2 5.751 7.021 -5.693
9 HD11 LEU 2 HD11 LEU 2 7.417 5.459 -5.326
10 HD12 LEU 2 HD12 LEU 2 6.618 4.786 -3.905
11 HD13 LEU 2 HD13 LEU 2 7.401 6.363 -3.812
12 HD21 LEU 2 HD21 LEU 2 3.584 5.493 -4.820
13 HD22 LEU 2 HD22 LEU 2 4.890 4.338 -5.089
14 HD23 LEU 2 HD23 LEU 2 4.382 5.416 -6.391
15 H PHE 3 H PHE 3 3.249 8.152 -1.207
16 HA PHE 3 HA PHE 3 5.208 9.566 0.186
17 HB2 PHE 3 HB2 PHE 3 2.454 9.736 -0.111
18 HB3 PHE 3 HB3 PHE 3 2.670 9.448 1.612
19 HD1 PHE 3 HD2 PHE 3 4.244 11.521 -1.067
20 HD2 PHE 3 HD1 PHE 3 2.799 11.310 2.931
21 HE1 PHE 3 HE2 PHE 3 4.797 13.897 -0.745
22 HE2 PHE 3 HE1 PHE 3 3.348 13.686 3.259
23 HZ PHE 3 HZ PHE 3 4.350 14.982 1.419
24 H GLY 4 H GLY 4 3.180 6.848 1.245
25 HA2 GLY 4 HA2 GLY 4 4.119 6.741 3.897
26 HA3 GLY 4 HA3 GLY 4 3.379 5.409 3.021
27 H VAL 5 H VAL 5 5.391 5.378 0.921
28 HA VAL 5 HA VAL 5 7.242 3.605 2.137
29 HB VAL 5 HB VAL 5 7.499 4.873 -0.590
30 HG11 VAL 5 HG11 VAL 5 9.482 3.682 0.215
31 HG12 VAL 5 HG12 VAL 5 8.502 2.242 0.493
32 HG13 VAL 5 HG13 VAL 5 8.733 2.850 -1.147
33 HG21 VAL 5 HG21 VAL 5 5.563 3.885 -1.092
34 HG22 VAL 5 HG22 VAL 5 6.420 2.352 -0.932
35 HG23 VAL 5 HG23 VAL 5 5.525 3.007 0.438
36 H LEU 6 H LEU 6 7.391 6.977 1.156
37 HA LEU 6 HA LEU 6 10.145 7.385 1.295
38 HB2 LEU 6 HB2 LEU 6 7.878 8.951 0.910
39 HB3 LEU 6 HB3 LEU 6 8.653 9.634 2.338
40 HG LEU 6 HG LEU 6 10.097 9.193 -0.268
41 HD11 LEU 6 HD11 LEU 6 8.030 11.006 0.167
42 HD12 LEU 6 HD12 LEU 6 9.223 11.042 -1.130
43 HD13 LEU 6 HD13 LEU 6 9.511 11.945 0.357
44 HD21 LEU 6 HD21 LEU 6 11.577 10.967 0.748
45 HD22 LEU 6 HD22 LEU 6 11.623 9.387 1.529
46 HD23 LEU 6 HD23 LEU 6 10.707 10.706 2.260
47 H ALA 7 H ALA 7 7.714 7.286 3.828
48 HA ALA 7 HA ALA 7 9.538 8.160 5.884
49 HB1 ALA 7 HB1 ALA 7 7.739 8.195 7.294
50 HB2 ALA 7 HB2 ALA 7 6.915 8.364 5.744
51 HB3 ALA 7 HB3 ALA 7 6.979 6.793 6.542
52 H LYS 8 H LYS 8 8.346 5.123 4.617
53 HA LYS 8 HA LYS 8 9.071 3.408 6.695
54 HB2 LYS 8 HB2 LYS 8 8.169 3.163 4.012
55 HB3 LYS 8 HB3 LYS 8 9.579 2.127 4.189
56 HG2 LYS 8 HG2 LYS 8 8.407 1.270 6.318
57 HG3 LYS 8 HG3 LYS 8 6.959 2.002 5.624
58 HD2 LYS 8 HD2 LYS 8 6.760 0.406 4.054
59 HD3 LYS 8 HD3 LYS 8 8.499 0.355 3.750
60 HE2 LYS 8 HE2 LYS 8 7.418 -0.767 6.296
61 HE3 LYS 8 HE3 LYS 8 7.267 -1.700 4.808
62 HZ1 LYS 8 HZ1 LYS 8 9.805 -0.668 5.955
63 HZ2 LYS 8 HZ2 LYS 8 9.665 -1.554 4.521
64 HZ3 LYS 8 HZ3 LYS 8 9.281 -2.276 6.002
65 H VAL 9 H VAL 9 11.010 5.054 4.343
66 HA VAL 9 HA VAL 9 13.305 3.453 4.347
67 HB VAL 9 HB VAL 9 13.275 6.464 4.145
68 HG11 VAL 9 HG11 VAL 9 15.401 4.752 4.206
69 HG12 VAL 9 HG12 VAL 9 15.098 4.901 2.474
70 HG13 VAL 9 HG13 VAL 9 15.400 6.342 3.445
71 HG21 VAL 9 HG21 VAL 9 12.680 4.369 2.065
72 HG22 VAL 9 HG22 VAL 9 11.636 5.685 2.603
73 HG23 VAL 9 HG23 VAL 9 13.094 6.038 1.675
74 H ALA 10 H ALA 10 12.345 6.112 6.484
75 HA ALA 10 HA ALA 10 14.728 5.718 8.119
76 HB1 ALA 10 HB1 ALA 10 14.007 7.707 9.322
77 HB2 ALA 10 HB2 ALA 10 14.042 8.006 7.584
78 HB3 ALA 10 HB3 ALA 10 12.503 7.734 8.401
79 H ALA 11 H ALA 11 11.370 4.922 8.078
80 HA ALA 11 HA ALA 11 11.029 4.492 10.870
81 HB1 ALA 11 HB1 ALA 11 9.186 4.847 9.202
82 HB2 ALA 11 HB2 ALA 11 9.459 3.192 8.655
83 HB3 ALA 11 HB3 ALA 11 8.944 3.499 10.314
84 H HIS 12 H HIS 12 12.599 2.734 8.402
85 HA HIS 12 HA HIS 12 12.806 0.400 10.187
86 HB2 HIS 12 HB2 HIS 12 11.425 0.046 8.067
87 HB3 HIS 12 HB3 HIS 12 12.935 0.224 7.178
88 HD1 HIS 12 HD1 HIS 12 11.889 -2.368 6.633
89 HD2 HIS 12 HD2 HIS 12 13.911 -1.686 10.197
90 HE1 HIS 12 HE1 HIS 12 12.625 -4.636 7.432
91 HB2 I4G 13 HB2 I4G 13 17.054 2.274 11.245
92 HB3 I4G 13 HB3 I4G 13 17.225 0.691 10.485
93 HG I4G 13 HG I4G 13 17.295 1.626 8.272
94 HD13 I4G 13 HD13 I4G 13 16.350 4.287 9.478
95 HD11 I4G 13 HD11 I4G 13 16.799 4.037 7.781
96 HD12 I4G 13 HD12 I4G 13 15.384 3.219 8.451
97 HD23 I4G 13 HD23 I4G 13 19.385 1.998 9.569
98 HD22 I4G 13 HD22 I4G 13 18.782 3.572 10.112
99 HD21 I4G 13 HD21 I4G 13 19.131 3.298 8.396
100 HA2 I4G 13 HA2 I4G 13 13.552 1.693 11.512
101 HA3 I4G 13 HA3 I4G 13 14.961 1.050 12.377
102 H VAL 14 H VAL 14 13.860 2.641 13.833
103 HA VAL 14 HA VAL 14 14.955 5.337 13.408
104 HB VAL 14 HB VAL 14 13.027 4.602 15.593
105 HG11 VAL 14 HG11 VAL 14 14.413 6.883 15.132
106 HG12 VAL 14 HG12 VAL 14 12.922 7.214 14.247
107 HG13 VAL 14 HG13 VAL 14 12.860 6.815 15.965
108 HG21 VAL 14 HG21 VAL 14 12.346 5.393 12.763
109 HG22 VAL 14 HG22 VAL 14 11.988 3.851 13.539
110 HG23 VAL 14 HG23 VAL 14 11.198 5.325 14.100
111 H GLY 15 H GLY 15 16.435 2.902 14.325
112 HA2 GLY 15 HA2 GLY 15 16.987 3.262 17.114
113 HA3 GLY 15 HA3 GLY 15 17.893 2.255 15.994
114 H ALA 16 H ALA 16 18.999 3.810 14.217
115 HA ALA 16 HA ALA 16 21.156 5.007 15.449
116 HB1 ALA 16 HB1 ALA 16 21.634 6.060 13.284
117 HB2 ALA 16 HB2 ALA 16 21.176 4.365 13.108
118 HB3 ALA 16 HB3 ALA 16 20.014 5.636 12.730
119 H ILE 17 H ILE 17 18.039 6.380 14.645
120 HA ILE 17 HA ILE 17 18.546 9.087 14.771
121 HB ILE 17 HB ILE 17 16.133 7.615 15.834
122 HG12 ILE 17 HG12 ILE 17 16.539 7.209 13.462
123 HG13 ILE 17 HG13 ILE 17 15.128 8.241 13.666
124 HG21 ILE 17 HG21 ILE 17 16.847 10.396 15.965
125 HG22 ILE 17 HG22 ILE 17 15.405 10.175 14.975
126 HG23 ILE 17 HG23 ILE 17 15.439 9.569 16.630
127 HD11 ILE 17 HD11 ILE 17 16.483 9.015 11.828
128 HD12 ILE 17 HD12 ILE 17 16.510 10.197 13.137
129 HD13 ILE 17 HD13 ILE 17 17.892 9.132 12.881
130 H ALA 18 H ALA 18 18.032 6.823 17.441
131 HA ALA 18 HA ALA 18 17.955 8.660 19.542
132 HB1 ALA 18 HB1 ALA 18 17.327 6.528 20.159
133 HB2 ALA 18 HB2 ALA 18 18.698 5.773 19.345
134 HB3 ALA 18 HB3 ALA 18 18.941 6.643 20.860
135 H GLU 19 H GLU 19 20.738 6.905 18.179
136 HA GLU 19 HA GLU 19 22.695 7.952 19.873
137 HB2 GLU 19 HB2 GLU 19 22.652 6.199 17.740
138 HB3 GLU 19 HB3 GLU 19 23.611 7.539 17.129
139 HG2 GLU 19 HG2 GLU 19 24.324 6.681 19.833
140 HG3 GLU 19 HG3 GLU 19 24.576 5.461 18.586
141 H HIS 20 H HIS 20 20.984 9.401 17.263
142 HA HIS 20 HA HIS 20 22.921 11.516 16.854
143 HB2 HIS 20 HB2 HIS 20 21.698 10.793 14.914
144 HB3 HIS 20 HB3 HIS 20 20.157 11.036 15.731
145 HD1 HIS 20 HD1 HIS 20 23.146 13.192 14.758
146 HD2 HIS 20 HD2 HIS 20 19.006 13.377 15.048
147 HE1 HIS 20 HE1 HIS 20 22.516 15.477 13.919
148 H PHE 21 H PHE 21 19.938 10.987 18.593
149 HA PHE 21 HA PHE 21 19.553 13.772 19.224
150 HB2 PHE 21 HB2 PHE 21 18.116 11.247 19.691
151 HB3 PHE 21 HB3 PHE 21 17.978 12.415 21.001
152 HD1 PHE 21 HD2 PHE 21 17.194 14.764 20.421
153 HD2 PHE 21 HD1 PHE 21 16.827 11.457 17.766
154 HE1 PHE 21 HE2 PHE 21 15.460 15.972 19.161
155 HE2 PHE 21 HE1 PHE 21 15.093 12.661 16.501
156 HZ PHE 21 HZ PHE 21 14.406 14.920 17.199
157 HN1 NH2 22 HN1 NH2 22 21.729 11.285 20.287
158 HN2 NH2 22 HN2 NH2 22 22.124 11.910 21.917
Start of MODEL 7
1 H1 GLY 1 H GLY 1 3.219 -1.495 2.521
2 HA2 GLY 1 HA2 GLY 1 1.945 -0.867 0.612
3 HA3 GLY 1 HA3 GLY 1 1.211 0.418 1.560
4 H LEU 2 H LEU 2 1.856 1.421 -0.650
5 HA LEU 2 HA LEU 2 4.568 2.075 -1.118
6 HB2 LEU 2 HB2 LEU 2 1.950 3.144 -2.085
7 HB3 LEU 2 HB3 LEU 2 3.445 3.995 -2.469
8 HG LEU 2 HG LEU 2 3.337 1.098 -3.095
9 HD11 LEU 2 HD11 LEU 2 1.193 1.633 -3.910
10 HD12 LEU 2 HD12 LEU 2 2.266 1.704 -5.308
11 HD13 LEU 2 HD13 LEU 2 1.731 3.194 -4.531
12 HD21 LEU 2 HD21 LEU 2 5.345 2.360 -3.552
13 HD22 LEU 2 HD22 LEU 2 4.428 3.545 -4.483
14 HD23 LEU 2 HD23 LEU 2 4.586 1.890 -5.073
15 H PHE 3 H PHE 3 2.007 3.602 0.731
16 HA PHE 3 HA PHE 3 3.050 6.128 1.127
17 HB2 PHE 3 HB2 PHE 3 0.892 4.771 2.088
18 HB3 PHE 3 HB3 PHE 3 1.884 4.895 3.537
19 HD1 PHE 3 HD1 PHE 3 0.834 7.082 0.698
20 HD2 PHE 3 HD2 PHE 3 1.477 6.695 4.888
21 HE1 PHE 3 HE1 PHE 3 0.051 9.392 1.029
22 HE2 PHE 3 HE2 PHE 3 0.695 9.003 5.225
23 HZ PHE 3 HZ PHE 3 -0.021 10.354 3.294
24 H GLY 4 H GLY 4 3.829 3.119 2.815
25 HA2 GLY 4 HA2 GLY 4 5.537 4.298 4.754
26 HA3 GLY 4 HA3 GLY 4 5.495 2.598 4.311
27 H VAL 5 H VAL 5 6.063 3.125 1.492
28 HA VAL 5 HA VAL 5 8.877 2.969 1.585
29 HB VAL 5 HB VAL 5 7.217 3.631 -0.847
30 HG11 VAL 5 HG11 VAL 5 9.346 3.821 -1.618
31 HG12 VAL 5 HG12 VAL 5 10.011 2.766 -0.370
32 HG13 VAL 5 HG13 VAL 5 9.174 2.072 -1.759
33 HG21 VAL 5 HG21 VAL 5 6.226 1.698 0.150
34 HG22 VAL 5 HG22 VAL 5 7.198 1.158 -1.220
35 HG23 VAL 5 HG23 VAL 5 7.806 0.963 0.424
36 H LEU 6 H LEU 6 6.709 5.642 1.374
37 HA LEU 6 HA LEU 6 8.774 7.462 0.421
38 HB2 LEU 6 HB2 LEU 6 6.867 8.191 -0.541
39 HB3 LEU 6 HB3 LEU 6 5.847 7.537 0.739
40 HG LEU 6 HG LEU 6 6.427 9.471 2.155
41 HD11 LEU 6 HD11 LEU 6 8.460 9.830 0.220
42 HD12 LEU 6 HD12 LEU 6 8.156 10.770 1.681
43 HD13 LEU 6 HD13 LEU 6 7.404 11.241 0.157
44 HD21 LEU 6 HD21 LEU 6 5.213 9.965 -0.551
45 HD22 LEU 6 HD22 LEU 6 5.237 11.192 0.716
46 HD23 LEU 6 HD23 LEU 6 4.394 9.665 0.982
47 H ALA 7 H ALA 7 6.892 6.799 3.333
48 HA ALA 7 HA ALA 7 7.962 8.976 4.836
49 HB1 ALA 7 HB1 ALA 7 6.607 6.462 5.804
50 HB2 ALA 7 HB2 ALA 7 6.898 7.918 6.756
51 HB3 ALA 7 HB3 ALA 7 5.800 7.971 5.377
52 H LYS 8 H LYS 8 9.017 5.764 4.117
53 HA LYS 8 HA LYS 8 10.683 5.226 6.287
54 HB2 LYS 8 HB2 LYS 8 10.184 4.115 3.721
55 HB3 LYS 8 HB3 LYS 8 11.926 4.294 3.885
56 HG2 LYS 8 HG2 LYS 8 11.603 3.154 6.175
57 HG3 LYS 8 HG3 LYS 8 10.037 2.658 5.528
58 HD2 LYS 8 HD2 LYS 8 12.005 2.149 3.545
59 HD3 LYS 8 HD3 LYS 8 12.596 1.500 5.077
60 HE2 LYS 8 HE2 LYS 8 9.807 0.973 4.095
61 HE3 LYS 8 HE3 LYS 8 11.170 -0.032 3.606
62 HZ1 LYS 8 HZ1 LYS 8 10.394 0.473 6.427
63 HZ2 LYS 8 HZ2 LYS 8 11.579 -0.603 5.879
64 HZ3 LYS 8 HZ3 LYS 8 9.947 -0.901 5.547
65 H VAL 9 H VAL 9 11.079 7.413 3.623
66 HA VAL 9 HA VAL 9 13.887 7.728 3.743
67 HB VAL 9 HB VAL 9 11.890 9.816 2.872
68 HG11 VAL 9 HG11 VAL 9 13.727 10.551 1.406
69 HG12 VAL 9 HG12 VAL 9 14.149 10.660 3.116
70 HG13 VAL 9 HG13 VAL 9 14.774 9.334 2.134
71 HG21 VAL 9 HG21 VAL 9 12.183 8.866 0.602
72 HG22 VAL 9 HG22 VAL 9 13.072 7.519 1.314
73 HG23 VAL 9 HG23 VAL 9 11.372 7.765 1.716
74 H ALA 10 H ALA 10 11.213 9.426 5.323
75 HA ALA 10 HA ALA 10 12.984 11.248 6.693
76 HB1 ALA 10 HB1 ALA 10 10.078 10.816 7.320
77 HB2 ALA 10 HB2 ALA 10 11.054 12.266 7.561
78 HB3 ALA 10 HB3 ALA 10 10.611 11.763 5.930
79 H ALA 11 H ALA 11 11.495 8.179 7.314
80 HA ALA 11 HA ALA 11 11.808 8.268 10.167
81 HB1 ALA 11 HB1 ALA 11 11.574 5.607 9.509
82 HB2 ALA 11 HB2 ALA 11 10.242 6.704 9.877
83 HB3 ALA 11 HB3 ALA 11 10.714 6.421 8.201
84 H HIS 12 H HIS 12 13.782 7.378 7.466
85 HA HIS 12 HA HIS 12 16.035 6.939 9.228
86 HB2 HIS 12 HB2 HIS 12 14.774 4.696 8.799
87 HB3 HIS 12 HB3 HIS 12 15.513 4.787 7.202
88 HD1 HIS 12 HD1 HIS 12 18.318 5.699 7.849
89 HD2 HIS 12 HD2 HIS 12 16.281 2.868 10.107
90 HE1 HIS 12 HE1 HIS 12 20.099 4.370 9.026
91 HB2 I4G 13 HB2 I4G 13 16.618 9.602 5.214
92 HB3 I4G 13 HB3 I4G 13 17.520 10.460 6.464
93 HG I4G 13 HG I4G 13 18.279 7.815 5.117
94 HD13 I4G 13 HD13 I4G 13 19.714 10.525 5.281
95 HD11 I4G 13 HD11 I4G 13 20.364 9.070 4.502
96 HD12 I4G 13 HD12 I4G 13 18.927 9.859 3.843
97 HD23 I4G 13 HD23 I4G 13 18.730 7.642 7.557
98 HD22 I4G 13 HD22 I4G 13 19.636 9.163 7.510
99 HD21 I4G 13 HD21 I4G 13 20.241 7.740 6.642
100 HA2 I4G 13 HA2 I4G 13 16.118 10.648 7.975
101 HA3 I4G 13 HA3 I4G 13 15.111 9.328 8.597
102 H VAL 14 H VAL 14 15.487 10.175 10.620
103 HA VAL 14 HA VAL 14 18.181 9.732 11.702
104 HB VAL 14 HB VAL 14 15.914 11.002 13.212
105 HG11 VAL 14 HG11 VAL 14 17.459 11.535 14.754
106 HG12 VAL 14 HG12 VAL 14 18.399 10.243 14.004
107 HG13 VAL 14 HG13 VAL 14 18.681 11.922 13.543
108 HG21 VAL 14 HG21 VAL 14 16.757 13.194 12.458
109 HG22 VAL 14 HG22 VAL 14 17.829 12.372 11.325
110 HG23 VAL 14 HG23 VAL 14 16.081 12.240 11.138
111 H GLY 15 H GLY 15 16.177 7.617 11.050
112 HA2 GLY 15 HA2 GLY 15 14.952 6.590 13.342
113 HA3 GLY 15 HA3 GLY 15 15.461 5.636 11.957
114 H ALA 16 H ALA 16 18.180 5.888 12.023
115 HA ALA 16 HA ALA 16 18.986 3.947 13.810
116 HB1 ALA 16 HB1 ALA 16 20.376 5.938 12.128
117 HB2 ALA 16 HB2 ALA 16 21.319 5.204 13.425
118 HB3 ALA 16 HB3 ALA 16 20.559 4.185 12.203
119 H ILE 17 H ILE 17 20.078 7.327 14.088
120 HA ILE 17 HA ILE 17 20.989 7.195 16.688
121 HB ILE 17 HB ILE 17 19.722 9.589 15.351
122 HG12 ILE 17 HG12 ILE 17 22.636 8.795 15.511
123 HG13 ILE 17 HG13 ILE 17 21.614 8.529 14.103
124 HG21 ILE 17 HG21 ILE 17 20.016 10.618 17.297
125 HG22 ILE 17 HG22 ILE 17 20.812 9.203 17.984
126 HG23 ILE 17 HG23 ILE 17 21.753 10.395 17.089
127 HD11 ILE 17 HD11 ILE 17 21.842 11.280 15.203
128 HD12 ILE 17 HD12 ILE 17 23.179 10.615 14.263
129 HD13 ILE 17 HD13 ILE 17 21.573 10.742 13.546
130 H ALA 18 H ALA 18 17.716 7.706 15.519
131 HA ALA 18 HA ALA 18 16.525 8.538 17.918
132 HB1 ALA 18 HB1 ALA 18 14.410 7.758 16.907
133 HB2 ALA 18 HB2 ALA 18 15.370 8.752 15.811
134 HB3 ALA 18 HB3 ALA 18 15.338 7.000 15.612
135 H GLU 19 H GLU 19 16.994 5.290 16.564
136 HA GLU 19 HA GLU 19 15.617 3.853 18.526
137 HB2 GLU 19 HB2 GLU 19 17.047 3.228 16.246
138 HB3 GLU 19 HB3 GLU 19 18.002 2.494 17.526
139 HG2 GLU 19 HG2 GLU 19 15.127 2.005 17.743
140 HG3 GLU 19 HG3 GLU 19 15.875 1.337 16.294
141 H HIS 20 H HIS 20 18.661 5.451 18.634
142 HA HIS 20 HA HIS 20 19.553 3.987 20.988
143 HB2 HIS 20 HB2 HIS 20 20.782 6.074 19.216
144 HB3 HIS 20 HB3 HIS 20 21.464 5.753 20.808
145 HD1 HIS 20 HD1 HIS 20 21.112 2.649 20.778
146 HD2 HIS 20 HD2 HIS 20 22.731 4.905 17.688
147 HE1 HIS 20 HE1 HIS 20 22.560 1.060 19.473
148 H PHE 21 H PHE 21 18.222 7.103 20.099
149 HA PHE 21 HA PHE 21 18.662 8.345 22.630
150 HB2 PHE 21 HB2 PHE 21 17.370 9.036 20.092
151 HB3 PHE 21 HB3 PHE 21 16.556 9.713 21.499
152 HD1 PHE 21 HD2 PHE 21 19.939 9.384 19.984
153 HD2 PHE 21 HD1 PHE 21 17.311 11.694 22.408
154 HE1 PHE 21 HE2 PHE 21 21.617 11.181 20.083
155 HE2 PHE 21 HE1 PHE 21 18.984 13.495 22.511
156 HZ PHE 21 HZ PHE 21 21.141 13.240 21.349
157 HN1 NH2 22 HN1 NH2 22 16.135 6.198 21.177
158 HN2 NH2 22 HN2 NH2 22 15.021 6.164 22.578
Start of MODEL 8
1 H1 GLY 1 H GLY 1 0.928 4.171 -3.487
2 HA2 GLY 1 HA2 GLY 1 1.132 6.315 -1.630
3 HA3 GLY 1 HA3 GLY 1 1.234 4.603 -1.248
4 H LEU 2 H LEU 2 3.370 6.120 -3.557
5 HA LEU 2 HA LEU 2 5.708 5.125 -2.461
6 HB2 LEU 2 HB2 LEU 2 4.995 7.161 -4.442
7 HB3 LEU 2 HB3 LEU 2 6.560 7.419 -3.674
8 HG LEU 2 HG LEU 2 5.904 4.750 -4.851
9 HD11 LEU 2 HD11 LEU 2 6.815 5.472 -6.990
10 HD12 LEU 2 HD12 LEU 2 6.932 7.127 -6.394
11 HD13 LEU 2 HD13 LEU 2 5.351 6.372 -6.593
12 HD21 LEU 2 HD21 LEU 2 7.911 4.653 -3.715
13 HD22 LEU 2 HD22 LEU 2 8.350 6.310 -4.133
14 HD23 LEU 2 HD23 LEU 2 8.439 5.039 -5.353
15 H PHE 3 H PHE 3 4.051 8.165 -1.808
16 HA PHE 3 HA PHE 3 6.019 9.463 -0.331
17 HB2 PHE 3 HB2 PHE 3 3.365 9.950 -0.987
18 HB3 PHE 3 HB3 PHE 3 3.350 9.858 0.771
19 HD1 PHE 3 HD1 PHE 3 4.652 11.670 -2.136
20 HD2 PHE 3 HD2 PHE 3 4.439 11.521 2.112
21 HE1 PHE 3 HE1 PHE 3 5.502 13.976 -2.016
22 HE2 PHE 3 HE2 PHE 3 5.288 13.826 2.239
23 HZ PHE 3 HZ PHE 3 5.820 15.057 0.174
24 H GLY 4 H GLY 4 3.603 7.089 0.699
25 HA2 GLY 4 HA2 GLY 4 4.221 7.226 3.468
26 HA3 GLY 4 HA3 GLY 4 3.356 5.924 2.665
27 H VAL 5 H VAL 5 5.596 5.438 0.800
28 HA VAL 5 HA VAL 5 6.957 3.479 2.325
29 HB VAL 5 HB VAL 5 7.803 4.554 -0.364
30 HG11 VAL 5 HG11 VAL 5 8.161 1.755 -0.070
31 HG12 VAL 5 HG12 VAL 5 9.390 3.006 -0.266
32 HG13 VAL 5 HG13 VAL 5 8.848 2.545 1.349
33 HG21 VAL 5 HG21 VAL 5 5.585 3.989 -0.753
34 HG22 VAL 5 HG22 VAL 5 6.443 2.502 -1.159
35 HG23 VAL 5 HG23 VAL 5 5.620 2.650 0.394
36 H LEU 6 H LEU 6 7.898 6.666 1.108
37 HA LEU 6 HA LEU 6 10.595 6.634 1.751
38 HB2 LEU 6 HB2 LEU 6 8.763 8.505 0.837
39 HB3 LEU 6 HB3 LEU 6 9.361 9.190 2.346
40 HG LEU 6 HG LEU 6 11.028 8.394 -0.040
41 HD11 LEU 6 HD11 LEU 6 11.401 10.740 -0.343
42 HD12 LEU 6 HD12 LEU 6 10.485 11.123 1.115
43 HD13 LEU 6 HD13 LEU 6 9.661 10.454 -0.294
44 HD21 LEU 6 HD21 LEU 6 11.711 8.827 2.741
45 HD22 LEU 6 HD22 LEU 6 12.542 9.960 1.674
46 HD23 LEU 6 HD23 LEU 6 12.704 8.222 1.415
47 H ALA 7 H ALA 7 7.946 7.941 3.755
48 HA ALA 7 HA ALA 7 9.540 8.386 6.037
49 HB1 ALA 7 HB1 ALA 7 7.303 8.426 7.233
50 HB2 ALA 7 HB2 ALA 7 7.508 9.569 5.905
51 HB3 ALA 7 HB3 ALA 7 6.572 8.094 5.662
52 H LYS 8 H LYS 8 7.950 5.557 4.802
53 HA LYS 8 HA LYS 8 7.724 4.022 7.121
54 HB2 LYS 8 HB2 LYS 8 7.461 3.616 4.321
55 HB3 LYS 8 HB3 LYS 8 8.499 2.339 4.943
56 HG2 LYS 8 HG2 LYS 8 5.820 3.028 6.124
57 HG3 LYS 8 HG3 LYS 8 6.063 1.795 4.885
58 HD2 LYS 8 HD2 LYS 8 7.890 1.519 7.138
59 HD3 LYS 8 HD3 LYS 8 6.193 1.404 7.610
60 HE2 LYS 8 HE2 LYS 8 7.015 -0.095 5.195
61 HE3 LYS 8 HE3 LYS 8 7.619 -0.689 6.741
62 HZ1 LYS 8 HZ1 LYS 8 4.770 -0.046 6.519
63 HZ2 LYS 8 HZ2 LYS 8 5.538 -1.228 7.453
64 HZ3 LYS 8 HZ3 LYS 8 5.323 -1.471 5.793
65 H VAL 9 H VAL 9 10.466 4.496 4.942
66 HA VAL 9 HA VAL 9 12.179 2.574 6.074
67 HB VAL 9 HB VAL 9 13.035 5.164 4.782
68 HG11 VAL 9 HG11 VAL 9 15.091 4.384 5.086
69 HG12 VAL 9 HG12 VAL 9 14.453 2.919 5.836
70 HG13 VAL 9 HG13 VAL 9 14.688 2.987 4.089
71 HG21 VAL 9 HG21 VAL 9 12.211 2.553 3.524
72 HG22 VAL 9 HG22 VAL 9 11.463 4.134 3.299
73 HG23 VAL 9 HG23 VAL 9 13.083 3.828 2.672
74 H ALA 10 H ALA 10 11.724 6.018 6.778
75 HA ALA 10 HA ALA 10 13.785 6.240 8.690
76 HB1 ALA 10 HB1 ALA 10 11.321 7.848 8.116
77 HB2 ALA 10 HB2 ALA 10 12.373 8.238 9.477
78 HB3 ALA 10 HB3 ALA 10 13.011 8.264 7.833
79 H ALA 11 H ALA 11 10.361 5.411 8.966
80 HA ALA 11 HA ALA 11 10.483 5.223 11.846
81 HB1 ALA 11 HB1 ALA 11 8.158 4.559 11.717
82 HB2 ALA 11 HB2 ALA 11 8.439 5.974 10.702
83 HB3 ALA 11 HB3 ALA 11 8.281 4.379 9.967
84 H HIS 12 H HIS 12 11.614 3.305 9.442
85 HA HIS 12 HA HIS 12 11.590 0.958 11.176
86 HB2 HIS 12 HB2 HIS 12 9.702 0.880 9.399
87 HB3 HIS 12 HB3 HIS 12 11.006 0.595 8.249
88 HD1 HIS 12 HD1 HIS 12 9.284 -1.674 8.215
89 HD2 HIS 12 HD2 HIS 12 12.073 -1.266 11.268
90 HE1 HIS 12 HE1 HIS 12 9.602 -3.987 9.149
91 HB2 I4G 13 HB2 I4G 13 15.786 1.849 9.196
92 HB3 I4G 13 HB3 I4G 13 16.164 2.370 10.839
93 HG I4G 13 HG I4G 13 17.282 0.223 10.413
94 HD13 I4G 13 HD13 I4G 13 14.836 -0.202 12.220
95 HD11 I4G 13 HD11 I4G 13 16.295 -1.210 12.220
96 HD12 I4G 13 HD12 I4G 13 16.387 0.479 12.726
97 HD23 I4G 13 HD23 I4G 13 15.814 -0.557 8.562
98 HD22 I4G 13 HD22 I4G 13 14.507 -0.873 9.716
99 HD21 I4G 13 HD21 I4G 13 16.006 -1.817 9.789
100 HA2 I4G 13 HA2 I4G 13 12.848 2.347 12.086
101 HA3 I4G 13 HA3 I4G 13 14.349 1.623 12.694
102 H VAL 14 H VAL 14 13.983 3.512 14.085
103 HA VAL 14 HA VAL 14 15.081 5.970 12.913
104 HB VAL 14 HB VAL 14 14.039 5.724 15.721
105 HG11 VAL 14 HG11 VAL 14 13.632 8.161 14.134
106 HG12 VAL 14 HG12 VAL 14 14.188 7.966 15.798
107 HG13 VAL 14 HG13 VAL 14 15.317 7.755 14.459
108 HG21 VAL 14 HG21 VAL 14 12.525 5.635 13.210
109 HG22 VAL 14 HG22 VAL 14 12.052 5.152 14.839
110 HG23 VAL 14 HG23 VAL 14 11.968 6.848 14.364
111 H GLY 15 H GLY 15 16.622 3.500 13.590
112 HA2 GLY 15 HA2 GLY 15 18.121 3.804 15.926
113 HA3 GLY 15 HA3 GLY 15 18.677 2.988 14.472
114 H ALA 16 H ALA 16 18.809 5.025 12.657
115 HA ALA 16 HA ALA 16 21.281 6.162 13.109
116 HB1 ALA 16 HB1 ALA 16 19.948 7.951 11.417
117 HB2 ALA 16 HB2 ALA 16 20.964 6.586 10.953
118 HB3 ALA 16 HB3 ALA 16 19.221 6.372 11.118
119 H ILE 17 H ILE 17 18.311 8.126 12.970
120 HA ILE 17 HA ILE 17 19.331 10.396 14.159
121 HB ILE 17 HB ILE 17 16.502 9.363 14.389
122 HG12 ILE 17 HG12 ILE 17 17.649 11.326 12.398
123 HG13 ILE 17 HG13 ILE 17 17.436 9.612 12.059
124 HG21 ILE 17 HG21 ILE 17 17.812 11.881 15.202
125 HG22 ILE 17 HG22 ILE 17 16.249 12.030 14.400
126 HG23 ILE 17 HG23 ILE 17 16.397 11.069 15.871
127 HD11 ILE 17 HD11 ILE 17 15.636 11.394 11.363
128 HD12 ILE 17 HD12 ILE 17 15.172 9.783 11.913
129 HD13 ILE 17 HD13 ILE 17 15.090 11.152 13.022
130 H ALA 18 H ALA 18 18.113 7.474 15.667
131 HA ALA 18 HA ALA 18 17.874 8.433 18.301
132 HB1 ALA 18 HB1 ALA 18 18.487 5.642 17.335
133 HB2 ALA 18 HB2 ALA 18 17.972 6.072 18.966
134 HB3 ALA 18 HB3 ALA 18 16.884 6.328 17.602
135 H GLU 19 H GLU 19 20.590 6.944 16.576
136 HA GLU 19 HA GLU 19 22.364 6.737 18.723
137 HB2 GLU 19 HB2 GLU 19 22.452 6.184 16.018
138 HB3 GLU 19 HB3 GLU 19 23.649 7.459 16.200
139 HG2 GLU 19 HG2 GLU 19 23.815 5.353 18.223
140 HG3 GLU 19 HG3 GLU 19 24.116 4.811 16.573
141 H HIS 20 H HIS 20 21.270 9.493 16.979
142 HA HIS 20 HA HIS 20 23.473 11.169 17.885
143 HB2 HIS 20 HB2 HIS 20 21.081 11.654 16.120
144 HB3 HIS 20 HB3 HIS 20 22.093 12.977 16.693
145 HD1 HIS 20 HD1 HIS 20 24.803 11.285 16.369
146 HD2 HIS 20 HD2 HIS 20 21.893 11.925 13.474
147 HE1 HIS 20 HE1 HIS 20 25.972 10.983 14.163
148 H PHE 21 H PHE 21 20.097 10.552 18.578
149 HA PHE 21 HA PHE 21 20.223 12.531 20.758
150 HB2 PHE 21 HB2 PHE 21 17.862 11.521 19.168
151 HB3 PHE 21 HB3 PHE 21 17.698 12.470 20.643
152 HD1 PHE 21 HD1 PHE 21 18.342 14.817 20.691
153 HD2 PHE 21 HD2 PHE 21 18.584 12.525 17.113
154 HE1 PHE 21 HE1 PHE 21 18.536 16.890 19.380
155 HE2 PHE 21 HE2 PHE 21 18.778 14.594 15.796
156 HZ PHE 21 HZ PHE 21 18.755 16.780 16.930
157 HN1 NH2 22 HN1 NH2 22 21.517 10.003 21.172
158 HN2 NH2 22 HN2 NH2 22 20.551 9.024 22.318
Start of MODEL 9
1 H1 GLY 1 H GLY 1 4.432 -0.240 0.194
2 HA2 GLY 1 HA2 GLY 1 1.972 0.995 -0.040
3 HA3 GLY 1 HA3 GLY 1 2.268 0.861 1.687
4 H LEU 2 H LEU 2 2.252 3.101 -0.469
5 HA LEU 2 HA LEU 2 4.757 4.240 -0.724
6 HB2 LEU 2 HB2 LEU 2 1.985 5.177 -0.828
7 HB3 LEU 2 HB3 LEU 2 3.151 6.428 -0.400
8 HG LEU 2 HG LEU 2 4.146 4.997 -2.657
9 HD11 LEU 2 HD11 LEU 2 1.700 4.426 -2.918
10 HD12 LEU 2 HD12 LEU 2 2.447 5.270 -4.274
11 HD13 LEU 2 HD13 LEU 2 1.413 6.151 -3.150
12 HD21 LEU 2 HD21 LEU 2 4.212 7.517 -1.714
13 HD22 LEU 2 HD22 LEU 2 3.006 7.697 -2.989
14 HD23 LEU 2 HD23 LEU 2 4.614 7.084 -3.376
15 H PHE 3 H PHE 3 2.477 4.465 1.966
16 HA PHE 3 HA PHE 3 3.759 6.412 3.482
17 HB2 PHE 3 HB2 PHE 3 1.624 4.582 3.844
18 HB3 PHE 3 HB3 PHE 3 2.698 4.402 5.227
19 HD1 PHE 3 HD1 PHE 3 0.491 6.687 3.408
20 HD2 PHE 3 HD2 PHE 3 2.984 6.178 6.819
21 HE1 PHE 3 HE1 PHE 3 -0.481 8.711 4.416
22 HE2 PHE 3 HE2 PHE 3 2.016 8.199 7.833
23 HZ PHE 3 HZ PHE 3 0.280 9.468 6.632
24 H GLY 4 H GLY 4 4.313 2.920 3.338
25 HA2 GLY 4 HA2 GLY 4 6.196 2.794 5.442
26 HA3 GLY 4 HA3 GLY 4 6.016 1.612 4.154
27 H VAL 5 H VAL 5 6.480 3.777 2.125
28 HA VAL 5 HA VAL 5 9.332 3.468 1.985
29 HB VAL 5 HB VAL 5 7.588 5.165 0.200
30 HG11 VAL 5 HG11 VAL 5 9.335 4.925 -1.420
31 HG12 VAL 5 HG12 VAL 5 10.060 5.489 0.087
32 HG13 VAL 5 HG13 VAL 5 10.208 3.795 -0.385
33 HG21 VAL 5 HG21 VAL 5 7.798 2.260 0.464
34 HG22 VAL 5 HG22 VAL 5 6.564 3.241 -0.327
35 HG23 VAL 5 HG23 VAL 5 8.059 2.851 -1.177
36 H LEU 6 H LEU 6 7.164 6.296 2.139
37 HA LEU 6 HA LEU 6 9.120 8.259 2.339
38 HB2 LEU 6 HB2 LEU 6 6.348 8.154 2.425
39 HB3 LEU 6 HB3 LEU 6 6.804 8.845 3.981
40 HG LEU 6 HG LEU 6 7.653 9.938 1.300
41 HD11 LEU 6 HD11 LEU 6 5.381 10.379 1.345
42 HD12 LEU 6 HD12 LEU 6 6.068 11.823 2.089
43 HD13 LEU 6 HD13 LEU 6 5.348 10.569 3.098
44 HD21 LEU 6 HD21 LEU 6 9.251 10.759 2.702
45 HD22 LEU 6 HD22 LEU 6 8.218 10.652 4.127
46 HD23 LEU 6 HD23 LEU 6 7.992 11.964 2.970
47 H ALA 7 H ALA 7 7.897 6.053 4.734
48 HA ALA 7 HA ALA 7 9.157 7.479 6.931
49 HB1 ALA 7 HB1 ALA 7 7.989 6.114 8.355
50 HB2 ALA 7 HB2 ALA 7 6.925 6.098 6.949
51 HB3 ALA 7 HB3 ALA 7 8.017 4.745 7.243
52 H LYS 8 H LYS 8 9.827 4.852 4.779
53 HA LYS 8 HA LYS 8 11.690 3.396 6.259
54 HB2 LYS 8 HB2 LYS 8 10.779 3.485 3.569
55 HB3 LYS 8 HB3 LYS 8 12.537 3.520 3.530
56 HG2 LYS 8 HG2 LYS 8 12.403 1.533 5.155
57 HG3 LYS 8 HG3 LYS 8 10.721 1.413 4.633
58 HD2 LYS 8 HD2 LYS 8 11.722 0.010 3.121
59 HD3 LYS 8 HD3 LYS 8 11.804 1.536 2.236
60 HE2 LYS 8 HE2 LYS 8 14.107 1.746 3.504
61 HE3 LYS 8 HE3 LYS 8 13.967 -0.009 3.579
62 HZ1 LYS 8 HZ1 LYS 8 13.578 1.383 1.016
63 HZ2 LYS 8 HZ2 LYS 8 14.083 -0.205 1.302
64 HZ3 LYS 8 HZ3 LYS 8 15.145 1.083 1.578
65 H VAL 9 H VAL 9 11.945 6.493 4.724
66 HA VAL 9 HA VAL 9 14.738 6.674 4.463
67 HB VAL 9 HB VAL 9 12.870 8.964 5.077
68 HG11 VAL 9 HG11 VAL 9 14.564 10.152 3.574
69 HG12 VAL 9 HG12 VAL 9 15.075 9.744 5.213
70 HG13 VAL 9 HG13 VAL 9 15.603 8.755 3.852
71 HG21 VAL 9 HG21 VAL 9 13.432 7.532 2.494
72 HG22 VAL 9 HG22 VAL 9 11.871 7.862 3.246
73 HG23 VAL 9 HG23 VAL 9 12.810 9.182 2.546
74 H ALA 10 H ALA 10 12.576 7.465 7.151
75 HA ALA 10 HA ALA 10 14.418 8.678 8.852
76 HB1 ALA 10 HB1 ALA 10 11.853 7.223 9.261
77 HB2 ALA 10 HB2 ALA 10 12.842 7.616 10.667
78 HB3 ALA 10 HB3 ALA 10 12.267 8.902 9.606
79 H ALA 11 H ALA 11 14.020 5.350 7.987
80 HA ALA 11 HA ALA 11 15.793 4.484 10.156
81 HB1 ALA 11 HB1 ALA 11 15.128 2.237 9.637
82 HB2 ALA 11 HB2 ALA 11 13.680 3.238 9.755
83 HB3 ALA 11 HB3 ALA 11 14.303 2.772 8.172
84 H HIS 12 H HIS 12 15.693 5.022 6.738
85 HA HIS 12 HA HIS 12 18.455 4.021 6.529
86 HB2 HIS 12 HB2 HIS 12 16.820 2.574 5.318
87 HB3 HIS 12 HB3 HIS 12 16.384 3.962 4.325
88 HD1 HIS 12 HD1 HIS 12 17.298 1.891 2.597
89 HD2 HIS 12 HD2 HIS 12 20.065 4.224 4.637
90 HE1 HIS 12 HE1 HIS 12 19.451 1.651 1.320
91 HB2 I4G 13 HB2 I4G 13 20.191 8.345 6.575
92 HB3 I4G 13 HB3 I4G 13 19.915 7.877 4.896
93 HG I4G 13 HG I4G 13 17.365 8.464 5.458
94 HD13 I4G 13 HD13 I4G 13 18.881 10.146 7.533
95 HD11 I4G 13 HD11 I4G 13 17.182 10.372 7.078
96 HD12 I4G 13 HD12 I4G 13 17.688 8.890 7.894
97 HD23 I4G 13 HD23 I4G 13 18.771 9.626 3.768
98 HD22 I4G 13 HD22 I4G 13 19.498 10.623 5.039
99 HD21 I4G 13 HD21 I4G 13 17.773 10.783 4.660
100 HA2 I4G 13 HA2 I4G 13 19.933 5.087 7.362
101 HA3 I4G 13 HA3 I4G 13 20.519 6.720 7.730
102 H VAL 14 H VAL 14 20.163 5.075 9.706
103 HA VAL 14 HA VAL 14 17.558 5.675 10.907
104 HB VAL 14 HB VAL 14 18.547 3.336 10.981
105 HG11 VAL 14 HG11 VAL 14 20.124 4.043 13.357
106 HG12 VAL 14 HG12 VAL 14 20.451 2.867 12.083
107 HG13 VAL 14 HG13 VAL 14 20.808 4.574 11.821
108 HG21 VAL 14 HG21 VAL 14 17.240 4.878 13.053
109 HG22 VAL 14 HG22 VAL 14 16.917 3.236 12.498
110 HG23 VAL 14 HG23 VAL 14 18.154 3.525 13.721
111 H GLY 15 H GLY 15 20.292 7.299 10.582
112 HA2 GLY 15 HA2 GLY 15 21.263 7.960 13.090
113 HA3 GLY 15 HA3 GLY 15 21.231 9.060 11.720
114 H ALA 16 H ALA 16 18.459 9.310 11.396
115 HA ALA 16 HA ALA 16 17.868 11.371 13.185
116 HB1 ALA 16 HB1 ALA 16 16.217 11.749 11.749
117 HB2 ALA 16 HB2 ALA 16 16.711 10.293 10.884
118 HB3 ALA 16 HB3 ALA 16 15.462 10.199 12.125
119 H ILE 17 H ILE 17 16.261 8.186 13.001
120 HA ILE 17 HA ILE 17 14.833 8.421 15.387
121 HB ILE 17 HB ILE 17 15.864 5.861 14.161
122 HG12 ILE 17 HG12 ILE 17 13.293 7.372 13.645
123 HG13 ILE 17 HG13 ILE 17 14.639 7.218 12.522
124 HG21 ILE 17 HG21 ILE 17 15.025 5.583 16.431
125 HG22 ILE 17 HG22 ILE 17 13.521 6.387 15.985
126 HG23 ILE 17 HG23 ILE 17 13.936 4.832 15.265
127 HD11 ILE 17 HD11 ILE 17 12.898 4.982 13.529
128 HD12 ILE 17 HD12 ILE 17 12.855 5.708 11.922
129 HD13 ILE 17 HD13 ILE 17 14.273 4.797 12.441
130 H ALA 18 H ALA 18 18.101 7.272 14.770
131 HA ALA 18 HA ALA 18 18.662 6.091 17.230
132 HB1 ALA 18 HB1 ALA 18 20.406 5.664 15.883
133 HB2 ALA 18 HB2 ALA 18 20.227 7.181 15.000
134 HB3 ALA 18 HB3 ALA 18 21.063 7.158 16.553
135 H GLU 19 H GLU 19 19.061 9.472 16.207
136 HA GLU 19 HA GLU 19 20.205 10.447 18.561
137 HB2 GLU 19 HB2 GLU 19 19.437 11.523 16.135
138 HB3 GLU 19 HB3 GLU 19 18.368 12.324 17.279
139 HG2 GLU 19 HG2 GLU 19 21.127 12.242 18.186
140 HG3 GLU 19 HG3 GLU 19 20.932 13.078 16.647
141 H HIS 20 H HIS 20 16.977 9.478 17.872
142 HA HIS 20 HA HIS 20 15.731 10.975 19.981
143 HB2 HIS 20 HB2 HIS 20 14.812 9.625 17.758
144 HB3 HIS 20 HB3 HIS 20 14.314 8.577 19.082
145 HD1 HIS 20 HD1 HIS 20 13.782 11.018 21.086
146 HD2 HIS 20 HD2 HIS 20 12.248 10.563 17.252
147 HE1 HIS 20 HE1 HIS 20 11.688 12.410 21.030
148 H PHE 21 H PHE 21 16.714 7.593 19.531
149 HA PHE 21 HA PHE 21 16.060 6.984 22.299
150 HB2 PHE 21 HB2 PHE 21 16.978 5.334 19.956
151 HB3 PHE 21 HB3 PHE 21 16.973 4.677 21.589
152 HD1 PHE 21 HD1 PHE 21 14.852 6.034 18.899
153 HD2 PHE 21 HD2 PHE 21 14.961 3.999 22.636
154 HE1 PHE 21 HE1 PHE 21 12.471 5.465 18.655
155 HE2 PHE 21 HE2 PHE 21 12.580 3.426 22.397
156 HZ PHE 21 HZ PHE 21 11.332 4.159 20.405
157 HN1 NH2 22 HN1 NH2 22 18.482 8.795 21.023
158 HN2 NH2 22 HN2 NH2 22 19.905 8.251 21.964
Start of MODEL 10
1 H1 GLY 1 H GLY 1 6.280 -0.579 0.547
2 HA2 GLY 1 HA2 GLY 1 4.279 -0.579 -1.128
3 HA3 GLY 1 HA3 GLY 1 3.389 -0.128 0.318
4 H LEU 2 H LEU 2 3.673 1.406 -2.102
5 HA LEU 2 HA LEU 2 5.586 3.438 -1.915
6 HB2 LEU 2 HB2 LEU 2 2.923 3.181 -3.229
7 HB3 LEU 2 HB3 LEU 2 3.699 4.763 -3.169
8 HG LEU 2 HG LEU 2 5.646 3.816 -4.358
9 HD11 LEU 2 HD11 LEU 2 5.437 1.615 -5.416
10 HD12 LEU 2 HD12 LEU 2 3.927 1.346 -4.546
11 HD13 LEU 2 HD13 LEU 2 5.442 1.502 -3.656
12 HD21 LEU 2 HD21 LEU 2 4.606 4.601 -6.151
13 HD22 LEU 2 HD22 LEU 2 3.039 4.331 -5.387
14 HD23 LEU 2 HD23 LEU 2 3.787 3.051 -6.344
15 H PHE 3 H PHE 3 2.755 2.854 -0.072
16 HA PHE 3 HA PHE 3 2.567 5.600 0.875
17 HB2 PHE 3 HB2 PHE 3 0.420 4.803 0.744
18 HB3 PHE 3 HB3 PHE 3 0.897 3.149 1.114
19 HD1 PHE 3 HD2 PHE 3 -0.022 6.401 2.508
20 HD2 PHE 3 HD1 PHE 3 1.081 2.386 3.393
21 HE1 PHE 3 HE2 PHE 3 -0.776 6.709 4.830
22 HE2 PHE 3 HE1 PHE 3 0.328 2.688 5.716
23 HZ PHE 3 HZ PHE 3 -0.601 4.852 6.438
24 H GLY 4 H GLY 4 3.876 2.536 1.837
25 HA2 GLY 4 HA2 GLY 4 4.286 3.414 4.591
26 HA3 GLY 4 HA3 GLY 4 4.666 1.828 3.937
27 H VAL 5 H VAL 5 5.988 3.378 1.617
28 HA VAL 5 HA VAL 5 8.618 3.407 2.829
29 HB VAL 5 HB VAL 5 7.778 3.890 -0.033
30 HG11 VAL 5 HG11 VAL 5 10.149 3.577 -0.573
31 HG12 VAL 5 HG12 VAL 5 9.897 4.980 0.467
32 HG13 VAL 5 HG13 VAL 5 10.523 3.478 1.148
33 HG21 VAL 5 HG21 VAL 5 7.900 1.680 -0.399
34 HG22 VAL 5 HG22 VAL 5 9.304 1.483 0.650
35 HG23 VAL 5 HG23 VAL 5 7.685 1.541 1.346
36 H LEU 6 H LEU 6 6.230 5.685 1.769
37 HA LEU 6 HA LEU 6 7.815 7.945 1.340
38 HB2 LEU 6 HB2 LEU 6 5.097 7.355 1.408
39 HB3 LEU 6 HB3 LEU 6 5.317 8.579 2.657
40 HG LEU 6 HG LEU 6 6.136 8.881 -0.232
41 HD11 LEU 6 HD11 LEU 6 3.688 8.776 0.100
42 HD12 LEU 6 HD12 LEU 6 4.245 10.353 -0.459
43 HD13 LEU 6 HD13 LEU 6 3.812 10.121 1.235
44 HD21 LEU 6 HD21 LEU 6 6.177 10.764 2.119
45 HD22 LEU 6 HD22 LEU 6 6.327 11.289 0.441
46 HD23 LEU 6 HD23 LEU 6 7.543 10.221 1.144
47 H ALA 7 H ALA 7 6.878 6.351 4.268
48 HA ALA 7 HA ALA 7 7.558 8.589 5.972
49 HB1 ALA 7 HB1 ALA 7 7.277 6.738 7.770
50 HB2 ALA 7 HB2 ALA 7 5.858 7.336 6.909
51 HB3 ALA 7 HB3 ALA 7 6.591 5.801 6.443
52 H LYS 8 H LYS 8 9.115 5.804 4.634
53 HA LYS 8 HA LYS 8 11.181 5.398 6.462
54 HB2 LYS 8 HB2 LYS 8 10.511 4.510 3.849
55 HB3 LYS 8 HB3 LYS 8 12.184 5.049 3.806
56 HG2 LYS 8 HG2 LYS 8 11.112 3.115 5.844
57 HG3 LYS 8 HG3 LYS 8 11.860 2.627 4.321
58 HD2 LYS 8 HD2 LYS 8 13.913 3.809 4.966
59 HD3 LYS 8 HD3 LYS 8 13.162 4.267 6.496
60 HE2 LYS 8 HE2 LYS 8 13.523 2.251 7.405
61 HE3 LYS 8 HE3 LYS 8 13.032 1.403 5.939
62 HZ1 LYS 8 HZ1 LYS 8 15.307 2.218 5.065
63 HZ2 LYS 8 HZ2 LYS 8 15.250 0.877 6.094
64 HZ3 LYS 8 HZ3 LYS 8 15.696 2.391 6.702
65 H VAL 9 H VAL 9 10.679 7.927 4.149
66 HA VAL 9 HA VAL 9 13.296 8.849 3.800
67 HB VAL 9 HB VAL 9 10.835 10.592 3.940
68 HG11 VAL 9 HG11 VAL 9 12.066 11.994 2.347
69 HG12 VAL 9 HG12 VAL 9 12.938 11.816 3.871
70 HG13 VAL 9 HG13 VAL 9 13.442 10.896 2.452
71 HG21 VAL 9 HG21 VAL 9 10.817 10.202 1.422
72 HG22 VAL 9 HG22 VAL 9 11.859 8.815 1.741
73 HG23 VAL 9 HG23 VAL 9 10.240 8.881 2.438
74 H ALA 10 H ALA 10 10.909 9.586 6.307
75 HA ALA 10 HA ALA 10 12.672 11.437 7.649
76 HB1 ALA 10 HB1 ALA 10 10.698 12.183 8.343
77 HB2 ALA 10 HB2 ALA 10 9.884 10.720 7.789
78 HB3 ALA 10 HB3 ALA 10 10.605 10.772 9.397
79 H ALA 11 H ALA 11 11.974 8.058 7.768
80 HA ALA 11 HA ALA 11 13.013 7.649 10.424
81 HB1 ALA 11 HB1 ALA 11 12.456 5.600 8.285
82 HB2 ALA 11 HB2 ALA 11 12.673 5.302 10.010
83 HB3 ALA 11 HB3 ALA 11 11.265 6.198 9.440
84 H HIS 12 H HIS 12 14.278 7.779 7.213
85 HA HIS 12 HA HIS 12 16.966 7.431 8.236
86 HB2 HIS 12 HB2 HIS 12 15.947 5.142 7.473
87 HB3 HIS 12 HB3 HIS 12 16.248 5.761 5.852
88 HD1 HIS 12 HD1 HIS 12 17.829 3.420 6.211
89 HD2 HIS 12 HD2 HIS 12 19.116 7.026 7.823
90 HE1 HIS 12 HE1 HIS 12 20.304 3.151 6.569
91 HB2 I4G 13 HB2 I4G 13 15.948 10.888 4.936
92 HB3 I4G 13 HB3 I4G 13 16.762 11.769 6.230
93 HG I4G 13 HG I4G 13 18.008 9.802 4.242
94 HD13 I4G 13 HD13 I4G 13 18.631 12.733 4.915
95 HD11 I4G 13 HD11 I4G 13 19.523 11.740 3.747
96 HD12 I4G 13 HD12 I4G 13 17.833 12.158 3.445
97 HD23 I4G 13 HD23 I4G 13 18.892 9.291 6.511
98 HD22 I4G 13 HD22 I4G 13 19.314 10.995 6.744
99 HD21 I4G 13 HD21 I4G 13 20.139 10.036 5.502
100 HA2 I4G 13 HA2 I4G 13 16.052 11.300 8.006
101 HA3 I4G 13 HA3 I4G 13 15.124 9.813 8.272
102 H VAL 14 H VAL 14 15.687 10.285 10.446
103 HA VAL 14 HA VAL 14 18.140 8.856 11.155
104 HB VAL 14 HB VAL 14 17.381 11.331 12.681
105 HG11 VAL 14 HG11 VAL 14 20.172 10.441 12.483
106 HG12 VAL 14 HG12 VAL 14 19.239 10.955 13.890
107 HG13 VAL 14 HG13 VAL 14 19.084 9.306 13.282
108 HG21 VAL 14 HG21 VAL 14 19.285 11.151 10.349
109 HG22 VAL 14 HG22 VAL 14 17.783 12.073 10.411
110 HG23 VAL 14 HG23 VAL 14 19.142 12.532 11.437
111 H GLY 15 H GLY 15 15.208 8.303 11.159
112 HA2 GLY 15 HA2 GLY 15 14.126 8.379 13.734
113 HA3 GLY 15 HA3 GLY 15 13.701 7.206 12.496
114 H ALA 16 H ALA 16 16.021 5.801 12.180
115 HA ALA 16 HA ALA 16 15.931 3.905 14.182
116 HB1 ALA 16 HB1 ALA 16 18.095 4.587 12.211
117 HB2 ALA 16 HB2 ALA 16 18.221 3.218 13.316
118 HB3 ALA 16 HB3 ALA 16 16.911 3.281 12.137
119 H ILE 17 H ILE 17 18.786 5.981 13.692
120 HA ILE 17 HA ILE 17 19.972 5.538 16.143
121 HB ILE 17 HB ILE 17 20.058 8.095 14.538
122 HG12 ILE 17 HG12 ILE 17 22.078 5.858 14.521
123 HG13 ILE 17 HG13 ILE 17 20.713 5.885 13.410
124 HG21 ILE 17 HG21 ILE 17 21.503 7.157 16.945
125 HG22 ILE 17 HG22 ILE 17 22.446 7.999 15.716
126 HG23 ILE 17 HG23 ILE 17 21.055 8.791 16.455
127 HD11 ILE 17 HD11 ILE 17 23.063 6.870 12.754
128 HD12 ILE 17 HD12 ILE 17 21.561 7.609 12.196
129 HD13 ILE 17 HD13 ILE 17 22.427 8.299 13.569
130 H ALA 18 H ALA 18 17.389 7.756 15.311
131 HA ALA 18 HA ALA 18 17.423 9.350 17.622
132 HB1 ALA 18 HB1 ALA 18 16.091 10.266 16.010
133 HB2 ALA 18 HB2 ALA 18 15.406 8.711 15.534
134 HB3 ALA 18 HB3 ALA 18 14.859 9.500 17.014
135 H GLU 19 H GLU 19 15.383 6.520 16.867
136 HA GLU 19 HA GLU 19 14.121 6.346 19.352
137 HB2 GLU 19 HB2 GLU 19 14.015 4.947 16.973
138 HB3 GLU 19 HB3 GLU 19 14.631 3.752 18.105
139 HG2 GLU 19 HG2 GLU 19 12.522 5.023 19.427
140 HG3 GLU 19 HG3 GLU 19 11.963 4.753 17.777
141 H HIS 20 H HIS 20 17.319 5.510 18.401
142 HA HIS 20 HA HIS 20 17.903 3.561 20.357
143 HB2 HIS 20 HB2 HIS 20 19.276 4.798 18.257
144 HB3 HIS 20 HB3 HIS 20 20.191 5.217 19.703
145 HD1 HIS 20 HD1 HIS 20 19.634 2.464 21.186
146 HD2 HIS 20 HD2 HIS 20 21.073 2.924 17.316
147 HE1 HIS 20 HE1 HIS 20 20.860 0.330 20.667
148 H PHE 21 H PHE 21 18.613 7.055 20.294
149 HA PHE 21 HA PHE 21 19.599 7.136 22.949
150 HB2 PHE 21 HB2 PHE 21 18.690 9.226 20.991
151 HB3 PHE 21 HB3 PHE 21 19.102 9.667 22.645
152 HD1 PHE 21 HD2 PHE 21 20.410 8.252 19.506
153 HD2 PHE 21 HD1 PHE 21 21.355 9.775 23.367
154 HE1 PHE 21 HE2 PHE 21 22.788 8.348 18.882
155 HE2 PHE 21 HE1 PHE 21 23.735 9.874 22.749
156 HZ PHE 21 HZ PHE 21 24.454 9.159 20.505
157 HN1 NH2 22 HN1 NH2 22 16.552 8.765 21.580
158 HN2 NH2 22 HN2 NH2 22 15.537 8.537 23.037
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.594 4.998 0.067
2 HA2 GLY 1 HA2 GLY 1 2.272 5.102 -2.201
3 HA3 GLY 1 HA3 GLY 1 1.801 6.795 -2.238
4 H LEU 2 H LEU 2 3.708 7.602 -3.030
5 HA LEU 2 HA LEU 2 6.276 6.883 -2.164
6 HB2 LEU 2 HB2 LEU 2 5.090 8.840 -3.902
7 HB3 LEU 2 HB3 LEU 2 6.379 9.575 -2.951
8 HG LEU 2 HG LEU 2 7.477 7.197 -3.889
9 HD11 LEU 2 HD11 LEU 2 5.956 6.693 -5.538
10 HD12 LEU 2 HD12 LEU 2 7.107 7.696 -6.422
11 HD13 LEU 2 HD13 LEU 2 5.583 8.386 -5.864
12 HD21 LEU 2 HD21 LEU 2 7.891 9.699 -5.427
13 HD22 LEU 2 HD22 LEU 2 9.069 8.579 -4.742
14 HD23 LEU 2 HD23 LEU 2 8.240 9.735 -3.699
15 H PHE 3 H PHE 3 3.864 8.791 -0.676
16 HA PHE 3 HA PHE 3 5.758 10.179 1.053
17 HB2 PHE 3 HB2 PHE 3 4.084 11.679 0.592
18 HB3 PHE 3 HB3 PHE 3 2.853 10.428 0.459
19 HD1 PHE 3 HD2 PHE 3 4.677 12.625 2.741
20 HD2 PHE 3 HD1 PHE 3 1.667 9.634 2.403
21 HE1 PHE 3 HE2 PHE 3 3.898 13.157 5.013
22 HE2 PHE 3 HE1 PHE 3 0.883 10.162 4.675
23 HZ PHE 3 HZ PHE 3 1.999 11.925 5.983
24 H GLY 4 H GLY 4 3.456 7.548 1.121
25 HA2 GLY 4 HA2 GLY 4 3.642 7.254 4.006
26 HA3 GLY 4 HA3 GLY 4 2.707 6.247 2.912
27 H VAL 5 H VAL 5 5.303 6.096 1.244
28 HA VAL 5 HA VAL 5 6.294 3.714 2.595
29 HB VAL 5 HB VAL 5 6.931 4.814 -0.147
30 HG11 VAL 5 HG11 VAL 5 8.625 3.384 -0.219
31 HG12 VAL 5 HG12 VAL 5 8.277 2.860 1.430
32 HG13 VAL 5 HG13 VAL 5 7.503 2.053 0.065
33 HG21 VAL 5 HG21 VAL 5 4.602 3.660 0.682
34 HG22 VAL 5 HG22 VAL 5 5.208 3.637 -0.974
35 HG23 VAL 5 HG23 VAL 5 5.508 2.266 0.094
36 H LEU 6 H LEU 6 7.418 6.883 1.553
37 HA LEU 6 HA LEU 6 10.146 6.616 1.902
38 HB2 LEU 6 HB2 LEU 6 8.383 8.690 1.417
39 HB3 LEU 6 HB3 LEU 6 9.145 9.140 2.942
40 HG LEU 6 HG LEU 6 10.561 8.574 0.337
41 HD11 LEU 6 HD11 LEU 6 9.580 10.679 0.116
42 HD12 LEU 6 HD12 LEU 6 11.210 11.027 0.692
43 HD13 LEU 6 HD13 LEU 6 9.848 11.087 1.811
44 HD21 LEU 6 HD21 LEU 6 11.974 7.853 2.112
45 HD22 LEU 6 HD22 LEU 6 11.600 9.283 3.074
46 HD23 LEU 6 HD23 LEU 6 12.550 9.438 1.596
47 H ALA 7 H ALA 7 7.626 6.961 4.304
48 HA ALA 7 HA ALA 7 9.331 7.539 6.505
49 HB1 ALA 7 HB1 ALA 7 6.593 6.281 6.583
50 HB2 ALA 7 HB2 ALA 7 7.412 7.140 7.889
51 HB3 ALA 7 HB3 ALA 7 6.891 8.014 6.448
52 H LYS 8 H LYS 8 8.160 4.581 5.024
53 HA LYS 8 HA LYS 8 8.782 2.759 7.042
54 HB2 LYS 8 HB2 LYS 8 7.978 2.655 4.320
55 HB3 LYS 8 HB3 LYS 8 9.365 1.590 4.499
56 HG2 LYS 8 HG2 LYS 8 6.944 1.479 6.278
57 HG3 LYS 8 HG3 LYS 8 7.140 0.502 4.821
58 HD2 LYS 8 HD2 LYS 8 9.329 -0.299 5.842
59 HD3 LYS 8 HD3 LYS 8 8.774 0.437 7.347
60 HE2 LYS 8 HE2 LYS 8 6.589 -1.005 6.626
61 HE3 LYS 8 HE3 LYS 8 7.887 -2.019 5.996
62 HZ1 LYS 8 HZ1 LYS 8 7.234 -1.341 8.763
63 HZ2 LYS 8 HZ2 LYS 8 8.868 -1.545 8.377
64 HZ3 LYS 8 HZ3 LYS 8 7.772 -2.805 8.107
65 H VAL 9 H VAL 9 10.826 4.423 4.770
66 HA VAL 9 HA VAL 9 13.102 2.758 4.959
67 HB VAL 9 HB VAL 9 13.103 5.729 4.429
68 HG11 VAL 9 HG11 VAL 9 15.318 5.217 4.570
69 HG12 VAL 9 HG12 VAL 9 15.072 3.529 4.116
70 HG13 VAL 9 HG13 VAL 9 15.040 4.789 2.882
71 HG21 VAL 9 HG21 VAL 9 11.499 4.741 2.944
72 HG22 VAL 9 HG22 VAL 9 12.967 5.081 2.027
73 HG23 VAL 9 HG23 VAL 9 12.610 3.432 2.540
74 H ALA 10 H ALA 10 12.072 5.618 6.775
75 HA ALA 10 HA ALA 10 14.410 5.859 8.346
76 HB1 ALA 10 HB1 ALA 10 12.728 7.086 9.919
77 HB2 ALA 10 HB2 ALA 10 13.140 7.780 8.350
78 HB3 ALA 10 HB3 ALA 10 11.622 6.905 8.557
79 H ALA 11 H ALA 11 11.679 3.756 8.518
80 HA ALA 11 HA ALA 11 12.123 3.039 11.292
81 HB1 ALA 11 HB1 ALA 11 10.270 1.780 9.274
82 HB2 ALA 11 HB2 ALA 11 10.251 1.537 11.021
83 HB3 ALA 11 HB3 ALA 11 9.845 3.115 10.346
84 H HIS 12 H HIS 12 13.685 2.342 8.500
85 HA HIS 12 HA HIS 12 14.628 -0.231 9.557
86 HB2 HIS 12 HB2 HIS 12 13.004 -0.358 7.517
87 HB3 HIS 12 HB3 HIS 12 14.401 0.187 6.594
88 HD1 HIS 12 HD1 HIS 12 13.655 -2.576 9.111
89 HD2 HIS 12 HD2 HIS 12 15.865 -1.877 5.663
90 HE1 HIS 12 HE1 HIS 12 14.747 -4.773 8.554
91 HB2 I4G 13 HB2 I4G 13 18.323 2.735 10.457
92 HB3 I4G 13 HB3 I4G 13 18.789 1.339 9.484
93 HG I4G 13 HG I4G 13 18.041 2.505 7.409
94 HD13 I4G 13 HD13 I4G 13 17.385 4.857 9.271
95 HD11 I4G 13 HD11 I4G 13 17.378 4.924 7.499
96 HD12 I4G 13 HD12 I4G 13 16.208 3.910 8.350
97 HD23 I4G 13 HD23 I4G 13 20.389 2.800 8.176
98 HD22 I4G 13 HD22 I4G 13 19.914 4.216 9.126
99 HD21 I4G 13 HD21 I4G 13 19.806 4.255 7.357
100 HA2 I4G 13 HA2 I4G 13 15.136 1.264 11.005
101 HA3 I4G 13 HA3 I4G 13 16.752 0.909 11.645
102 H VAL 14 H VAL 14 15.920 2.000 13.467
103 HA VAL 14 HA VAL 14 15.984 4.930 13.211
104 HB VAL 14 HB VAL 14 15.101 3.455 15.676
105 HG11 VAL 14 HG11 VAL 14 13.852 5.983 14.833
106 HG12 VAL 14 HG12 VAL 14 14.399 5.460 16.427
107 HG13 VAL 14 HG13 VAL 14 15.561 6.085 15.256
108 HG21 VAL 14 HG21 VAL 14 12.782 3.646 14.852
109 HG22 VAL 14 HG22 VAL 14 13.402 4.179 13.289
110 HG23 VAL 14 HG23 VAL 14 13.761 2.553 13.872
111 H GLY 15 H GLY 15 18.320 3.076 13.286
112 HA2 GLY 15 HA2 GLY 15 19.594 3.142 15.786
113 HA3 GLY 15 HA3 GLY 15 20.408 3.007 14.234
114 H ALA 16 H ALA 16 20.535 5.143 12.995
115 HA ALA 16 HA ALA 16 21.987 6.988 14.556
116 HB1 ALA 16 HB1 ALA 16 22.248 6.545 12.085
117 HB2 ALA 16 HB2 ALA 16 20.821 7.554 11.841
118 HB3 ALA 16 HB3 ALA 16 22.272 8.241 12.570
119 H ILE 17 H ILE 17 18.739 7.164 13.121
120 HA ILE 17 HA ILE 17 18.052 9.743 13.816
121 HB ILE 17 HB ILE 17 16.238 7.328 13.845
122 HG12 ILE 17 HG12 ILE 17 16.719 9.322 11.625
123 HG13 ILE 17 HG13 ILE 17 17.515 7.754 11.718
124 HG21 ILE 17 HG21 ILE 17 14.984 8.958 14.896
125 HG22 ILE 17 HG22 ILE 17 15.724 10.267 13.976
126 HG23 ILE 17 HG23 ILE 17 14.552 9.200 13.203
127 HD11 ILE 17 HD11 ILE 17 14.667 8.402 11.144
128 HD12 ILE 17 HD12 ILE 17 15.770 7.315 10.300
129 HD13 ILE 17 HD13 ILE 17 15.082 6.843 11.854
130 H ALA 18 H ALA 18 18.198 6.885 15.830
131 HA ALA 18 HA ALA 18 16.761 7.898 18.044
132 HB1 ALA 18 HB1 ALA 18 18.853 5.740 17.843
133 HB2 ALA 18 HB2 ALA 18 17.949 6.099 19.315
134 HB3 ALA 18 HB3 ALA 18 17.100 5.544 17.872
135 H GLU 19 H GLU 19 20.277 7.602 17.507
136 HA GLU 19 HA GLU 19 21.082 8.919 19.835
137 HB2 GLU 19 HB2 GLU 19 22.353 7.717 17.697
138 HB3 GLU 19 HB3 GLU 19 22.831 9.402 17.543
139 HG2 GLU 19 HG2 GLU 19 23.019 8.339 20.262
140 HG3 GLU 19 HG3 GLU 19 24.080 7.556 19.093
141 H HIS 20 H HIS 20 19.761 10.151 16.907
142 HA HIS 20 HA HIS 20 20.794 12.795 17.067
143 HB2 HIS 20 HB2 HIS 20 18.733 11.384 15.483
144 HB3 HIS 20 HB3 HIS 20 18.498 13.120 15.668
145 HD1 HIS 20 HD1 HIS 20 21.183 14.300 15.316
146 HD2 HIS 20 HD2 HIS 20 19.940 11.010 13.104
147 HE1 HIS 20 HE1 HIS 20 22.630 14.287 13.260
148 H PHE 21 H PHE 21 17.729 11.318 18.081
149 HA PHE 21 HA PHE 21 16.822 13.785 19.287
150 HB2 PHE 21 HB2 PHE 21 15.674 11.046 18.922
151 HB3 PHE 21 HB3 PHE 21 14.977 12.110 20.139
152 HD1 PHE 21 HD1 PHE 21 13.939 14.243 19.471
153 HD2 PHE 21 HD2 PHE 21 15.317 11.415 16.604
154 HE1 PHE 21 HE1 PHE 21 12.599 15.356 17.734
155 HE2 PHE 21 HE2 PHE 21 13.980 12.524 14.862
156 HZ PHE 21 HZ PHE 21 12.619 14.498 15.425
157 HN1 NH2 22 HN1 NH2 22 18.865 11.051 20.166
158 HN2 NH2 22 HN2 NH2 22 18.852 11.257 21.944
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.652 -0.156 -1.849
2 HA2 GLY 1 HA2 GLY 1 0.168 2.278 -2.626
3 HA3 GLY 1 HA3 GLY 1 0.527 1.831 -0.964
4 H LEU 2 H LEU 2 1.432 3.778 -3.490
5 HA LEU 2 HA LEU 2 4.227 3.829 -3.338
6 HB2 LEU 2 HB2 LEU 2 2.197 5.289 -4.630
7 HB3 LEU 2 HB3 LEU 2 3.182 6.465 -3.763
8 HG LEU 2 HG LEU 2 3.941 6.226 -6.055
9 HD11 LEU 2 HD11 LEU 2 6.279 5.820 -5.632
10 HD12 LEU 2 HD12 LEU 2 5.895 4.950 -4.147
11 HD13 LEU 2 HD13 LEU 2 5.576 6.681 -4.262
12 HD21 LEU 2 HD21 LEU 2 5.020 3.529 -5.758
13 HD22 LEU 2 HD22 LEU 2 4.194 4.278 -7.125
14 HD23 LEU 2 HD23 LEU 2 3.257 3.588 -5.798
15 H PHE 3 H PHE 3 1.771 5.269 -1.307
16 HA PHE 3 HA PHE 3 3.256 7.180 0.048
17 HB2 PHE 3 HB2 PHE 3 0.711 6.038 0.297
18 HB3 PHE 3 HB3 PHE 3 1.486 5.772 1.855
19 HD1 PHE 3 HD1 PHE 3 0.349 8.307 -0.543
20 HD2 PHE 3 HD2 PHE 3 1.974 7.590 3.325
21 HE1 PHE 3 HE1 PHE 3 -0.145 10.632 0.091
22 HE2 PHE 3 HE2 PHE 3 1.482 9.914 3.965
23 HZ PHE 3 HZ PHE 3 0.421 11.438 2.348
24 H GLY 4 H GLY 4 2.969 3.704 0.665
25 HA2 GLY 4 HA2 GLY 4 4.530 3.711 3.040
26 HA3 GLY 4 HA3 GLY 4 4.144 2.304 2.060
27 H VAL 5 H VAL 5 5.350 3.735 -0.321
28 HA VAL 5 HA VAL 5 8.016 2.708 0.050
29 HB VAL 5 HB VAL 5 6.941 4.198 -2.344
30 HG11 VAL 5 HG11 VAL 5 9.479 3.031 -1.690
31 HG12 VAL 5 HG12 VAL 5 8.768 2.197 -3.073
32 HG13 VAL 5 HG13 VAL 5 9.006 3.945 -3.122
33 HG21 VAL 5 HG21 VAL 5 6.465 1.442 -1.389
34 HG22 VAL 5 HG22 VAL 5 5.458 2.485 -2.393
35 HG23 VAL 5 HG23 VAL 5 6.826 1.630 -3.105
36 H LEU 6 H LEU 6 6.464 5.783 0.206
37 HA LEU 6 HA LEU 6 8.966 7.252 -0.048
38 HB2 LEU 6 HB2 LEU 6 7.418 8.565 -1.032
39 HB3 LEU 6 HB3 LEU 6 6.096 7.910 -0.069
40 HG LEU 6 HG LEU 6 6.794 9.340 1.815
41 HD11 LEU 6 HD11 LEU 6 8.701 10.490 1.855
42 HD12 LEU 6 HD12 LEU 6 8.459 11.111 0.223
43 HD13 LEU 6 HD13 LEU 6 9.188 9.523 0.463
44 HD21 LEU 6 HD21 LEU 6 5.785 11.277 1.011
45 HD22 LEU 6 HD22 LEU 6 5.166 10.020 -0.060
46 HD23 LEU 6 HD23 LEU 6 6.468 11.080 -0.604
47 H ALA 7 H ALA 7 6.541 6.451 2.389
48 HA ALA 7 HA ALA 7 7.741 7.988 4.471
49 HB1 ALA 7 HB1 ALA 7 6.262 6.466 5.929
50 HB2 ALA 7 HB2 ALA 7 5.476 7.568 4.798
51 HB3 ALA 7 HB3 ALA 7 5.636 5.858 4.397
52 H LYS 8 H LYS 8 8.284 4.838 3.155
53 HA LYS 8 HA LYS 8 9.443 3.520 5.319
54 HB2 LYS 8 HB2 LYS 8 9.178 3.094 2.524
55 HB3 LYS 8 HB3 LYS 8 10.872 2.855 2.930
56 HG2 LYS 8 HG2 LYS 8 8.608 1.513 4.385
57 HG3 LYS 8 HG3 LYS 8 9.458 0.798 3.013
58 HD2 LYS 8 HD2 LYS 8 11.419 0.526 4.201
59 HD3 LYS 8 HD3 LYS 8 11.022 1.805 5.351
60 HE2 LYS 8 HE2 LYS 8 10.228 0.286 6.762
61 HE3 LYS 8 HE3 LYS 8 9.033 -0.206 5.563
62 HZ1 LYS 8 HZ1 LYS 8 11.788 -1.230 5.400
63 HZ2 LYS 8 HZ2 LYS 8 10.357 -1.918 4.817
64 HZ3 LYS 8 HZ3 LYS 8 10.689 -1.936 6.476
65 H VAL 9 H VAL 9 10.717 5.998 3.218
66 HA VAL 9 HA VAL 9 13.457 5.666 3.894
67 HB VAL 9 HB VAL 9 12.126 8.207 2.954
68 HG11 VAL 9 HG11 VAL 9 14.403 8.496 3.766
69 HG12 VAL 9 HG12 VAL 9 14.960 7.204 2.701
70 HG13 VAL 9 HG13 VAL 9 14.334 8.704 2.016
71 HG21 VAL 9 HG21 VAL 9 13.113 5.834 1.384
72 HG22 VAL 9 HG22 VAL 9 11.485 6.511 1.408
73 HG23 VAL 9 HG23 VAL 9 12.806 7.417 0.670
74 H ALA 10 H ALA 10 10.868 7.735 5.140
75 HA ALA 10 HA ALA 10 12.439 9.236 6.928
76 HB1 ALA 10 HB1 ALA 10 10.004 9.213 8.128
77 HB2 ALA 10 HB2 ALA 10 10.453 10.274 6.792
78 HB3 ALA 10 HB3 ALA 10 9.577 8.777 6.473
79 H ALA 11 H ALA 11 11.191 6.016 7.088
80 HA ALA 11 HA ALA 11 11.376 5.754 9.942
81 HB1 ALA 11 HB1 ALA 11 11.108 3.297 9.419
82 HB2 ALA 11 HB2 ALA 11 9.802 4.351 8.873
83 HB3 ALA 11 HB3 ALA 11 11.000 3.761 7.721
84 H HIS 12 H HIS 12 13.561 5.516 7.299
85 HA HIS 12 HA HIS 12 15.614 4.419 9.106
86 HB2 HIS 12 HB2 HIS 12 14.831 2.935 7.140
87 HB3 HIS 12 HB3 HIS 12 15.711 4.068 6.119
88 HD1 HIS 12 HD1 HIS 12 16.897 1.496 5.813
89 HD2 HIS 12 HD2 HIS 12 17.821 3.791 9.150
90 HE1 HIS 12 HE1 HIS 12 19.074 0.580 6.677
91 HB2 I4G 13 HB2 I4G 13 17.660 8.503 9.401
92 HB3 I4G 13 HB3 I4G 13 17.453 8.341 7.657
93 HG I4G 13 HG I4G 13 15.446 9.695 9.546
94 HD13 I4G 13 HD13 I4G 13 17.395 10.926 7.516
95 HD11 I4G 13 HD11 I4G 13 16.149 11.819 8.409
96 HD12 I4G 13 HD12 I4G 13 17.501 11.082 9.275
97 HD23 I4G 13 HD23 I4G 13 14.361 8.634 7.574
98 HD22 I4G 13 HD22 I4G 13 15.469 9.488 6.489
99 HD21 I4G 13 HD21 I4G 13 14.295 10.398 7.457
100 HA2 I4G 13 HA2 I4G 13 14.454 7.639 9.958
101 HA3 I4G 13 HA3 I4G 13 15.173 6.054 10.299
102 H VAL 14 H VAL 14 14.386 8.491 11.853
103 HA VAL 14 HA VAL 14 16.938 8.849 13.284
104 HB VAL 14 HB VAL 14 14.550 10.638 13.637
105 HG11 VAL 14 HG11 VAL 14 17.304 11.654 13.832
106 HG12 VAL 14 HG12 VAL 14 15.910 11.936 14.877
107 HG13 VAL 14 HG13 VAL 14 16.853 10.454 15.043
108 HG21 VAL 14 HG21 VAL 14 15.577 12.182 12.008
109 HG22 VAL 14 HG22 VAL 14 16.750 10.932 11.592
110 HG23 VAL 14 HG23 VAL 14 15.035 10.676 11.266
111 H GLY 15 H GLY 15 14.927 6.643 13.506
112 HA2 GLY 15 HA2 GLY 15 13.544 6.989 15.983
113 HA3 GLY 15 HA3 GLY 15 13.781 5.473 15.127
114 H ALA 16 H ALA 16 16.100 4.624 15.239
115 HA ALA 16 HA ALA 16 16.763 4.255 17.973
116 HB1 ALA 16 HB1 ALA 16 17.944 3.364 15.381
117 HB2 ALA 16 HB2 ALA 16 18.853 3.143 16.876
118 HB3 ALA 16 HB3 ALA 16 17.261 2.405 16.695
119 H ILE 17 H ILE 17 17.825 6.472 15.536
120 HA ILE 17 HA ILE 17 20.357 7.171 16.371
121 HB ILE 17 HB ILE 17 18.190 9.001 15.335
122 HG12 ILE 17 HG12 ILE 17 18.729 7.182 13.800
123 HG13 ILE 17 HG13 ILE 17 19.345 8.706 13.172
124 HG21 ILE 17 HG21 ILE 17 19.575 10.685 15.756
125 HG22 ILE 17 HG22 ILE 17 20.826 9.580 16.322
126 HG23 ILE 17 HG23 ILE 17 20.709 9.975 14.608
127 HD11 ILE 17 HD11 ILE 17 21.476 7.754 14.593
128 HD12 ILE 17 HD12 ILE 17 20.762 6.282 13.932
129 HD13 ILE 17 HD13 ILE 17 21.242 7.591 12.852
130 H ALA 18 H ALA 18 17.250 8.108 17.735
131 HA ALA 18 HA ALA 18 18.266 10.066 19.524
132 HB1 ALA 18 HB1 ALA 18 16.094 10.009 20.559
133 HB2 ALA 18 HB2 ALA 18 15.900 9.935 18.807
134 HB3 ALA 18 HB3 ALA 18 15.719 8.473 19.777
135 H GLU 19 H GLU 19 17.299 6.668 19.984
136 HA GLU 19 HA GLU 19 17.901 6.487 22.705
137 HB2 GLU 19 HB2 GLU 19 16.937 4.769 20.769
138 HB3 GLU 19 HB3 GLU 19 18.479 4.046 21.205
139 HG2 GLU 19 HG2 GLU 19 16.852 4.887 23.487
140 HG3 GLU 19 HG3 GLU 19 16.129 3.620 22.498
141 H HIS 20 H HIS 20 19.968 6.619 19.958
142 HA HIS 20 HA HIS 20 22.255 5.464 21.296
143 HB2 HIS 20 HB2 HIS 20 21.665 6.528 18.589
144 HB3 HIS 20 HB3 HIS 20 23.339 6.626 19.127
145 HD1 HIS 20 HD1 HIS 20 24.336 4.214 19.993
146 HD2 HIS 20 HD2 HIS 20 21.006 4.133 17.510
147 HE1 HIS 20 HE1 HIS 20 24.244 1.878 19.068
148 H PHE 21 H PHE 21 21.106 8.680 20.400
149 HA PHE 21 HA PHE 21 23.367 10.162 21.066
150 HB2 PHE 21 HB2 PHE 21 20.549 10.694 20.578
151 HB3 PHE 21 HB3 PHE 21 21.217 11.774 21.796
152 HD1 PHE 21 HD1 PHE 21 21.560 10.611 18.315
153 HD2 PHE 21 HD2 PHE 21 22.714 13.508 21.212
154 HE1 PHE 21 HE1 PHE 21 22.561 11.986 16.537
155 HE2 PHE 21 HE2 PHE 21 23.715 14.888 19.439
156 HZ PHE 21 HZ PHE 21 23.639 14.128 17.098
157 HN1 NH2 22 HN1 NH2 22 20.678 8.767 23.117
158 HN2 NH2 22 HN2 NH2 22 21.358 9.221 24.710
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -1.670 1.169 -0.641
2 HA2 GLY 1 HA2 GLY 1 -0.671 3.177 -2.040
3 HA3 GLY 1 HA3 GLY 1 -0.908 3.357 -0.308
4 H LEU 2 H LEU 2 1.212 4.062 -2.570
5 HA LEU 2 HA LEU 2 3.656 3.026 -1.522
6 HB2 LEU 2 HB2 LEU 2 2.970 5.202 -3.468
7 HB3 LEU 2 HB3 LEU 2 4.631 4.933 -2.944
8 HG LEU 2 HG LEU 2 3.406 2.478 -3.863
9 HD11 LEU 2 HD11 LEU 2 2.068 3.938 -5.268
10 HD12 LEU 2 HD12 LEU 2 3.270 3.083 -6.233
11 HD13 LEU 2 HD13 LEU 2 3.521 4.776 -5.811
12 HD21 LEU 2 HD21 LEU 2 5.445 2.185 -4.914
13 HD22 LEU 2 HD22 LEU 2 5.873 3.218 -3.550
14 HD23 LEU 2 HD23 LEU 2 5.686 3.914 -5.160
15 H PHE 3 H PHE 3 1.730 5.883 -0.949
16 HA PHE 3 HA PHE 3 3.559 7.556 0.277
17 HB2 PHE 3 HB2 PHE 3 0.822 7.559 -0.099
18 HB3 PHE 3 HB3 PHE 3 0.979 7.503 1.653
19 HD1 PHE 3 HD2 PHE 3 2.667 9.276 -1.169
20 HD2 PHE 3 HD1 PHE 3 0.876 9.539 2.683
21 HE1 PHE 3 HE2 PHE 3 3.102 11.697 -1.136
22 HE2 PHE 3 HE1 PHE 3 1.307 11.961 2.722
23 HZ PHE 3 HZ PHE 3 2.423 13.043 0.811
24 H GLY 4 H GLY 4 1.889 4.745 1.575
25 HA2 GLY 4 HA2 GLY 4 2.771 5.178 4.274
26 HA3 GLY 4 HA3 GLY 4 2.000 3.728 3.648
27 H VAL 5 H VAL 5 4.048 3.540 1.483
28 HA VAL 5 HA VAL 5 5.943 1.964 2.971
29 HB VAL 5 HB VAL 5 5.982 2.567 0.014
30 HG11 VAL 5 HG11 VAL 5 7.867 1.388 0.082
31 HG12 VAL 5 HG12 VAL 5 7.621 0.976 1.780
32 HG13 VAL 5 HG13 VAL 5 6.892 -0.015 0.516
33 HG21 VAL 5 HG21 VAL 5 3.921 1.605 0.126
34 HG22 VAL 5 HG22 VAL 5 4.903 0.141 0.077
35 HG23 VAL 5 HG23 VAL 5 4.283 0.736 1.617
36 H LEU 6 H LEU 6 5.878 5.089 1.435
37 HA LEU 6 HA LEU 6 8.657 5.516 1.221
38 HB2 LEU 6 HB2 LEU 6 6.324 6.932 0.639
39 HB3 LEU 6 HB3 LEU 6 7.192 7.935 1.799
40 HG LEU 6 HG LEU 6 8.196 6.979 -0.880
41 HD11 LEU 6 HD11 LEU 6 6.920 8.777 -1.429
42 HD12 LEU 6 HD12 LEU 6 8.404 9.619 -0.985
43 HD13 LEU 6 HD13 LEU 6 7.071 9.516 0.165
44 HD21 LEU 6 HD21 LEU 6 10.119 6.960 0.420
45 HD22 LEU 6 HD22 LEU 6 9.581 8.312 1.416
46 HD23 LEU 6 HD23 LEU 6 10.108 8.594 -0.243
47 H ALA 7 H ALA 7 6.459 5.670 3.894
48 HA ALA 7 HA ALA 7 7.951 7.337 5.612
49 HB1 ALA 7 HB1 ALA 7 6.635 5.713 7.335
50 HB2 ALA 7 HB2 ALA 7 5.915 7.111 6.535
51 HB3 ALA 7 HB3 ALA 7 5.679 5.495 5.869
52 H LYS 8 H LYS 8 8.101 3.902 4.906
53 HA LYS 8 HA LYS 8 9.603 2.960 7.018
54 HB2 LYS 8 HB2 LYS 8 9.574 1.087 5.803
55 HB3 LYS 8 HB3 LYS 8 8.810 2.003 4.510
56 HG2 LYS 8 HG2 LYS 8 11.025 2.542 3.601
57 HG3 LYS 8 HG3 LYS 8 11.769 1.578 4.879
58 HD2 LYS 8 HD2 LYS 8 11.513 -0.254 3.648
59 HD3 LYS 8 HD3 LYS 8 9.766 -0.005 3.631
60 HE2 LYS 8 HE2 LYS 8 9.979 1.434 1.678
61 HE3 LYS 8 HE3 LYS 8 11.731 1.244 1.712
62 HZ1 LYS 8 HZ1 LYS 8 9.677 -0.626 0.828
63 HZ2 LYS 8 HZ2 LYS 8 11.021 -1.289 1.611
64 HZ3 LYS 8 HZ3 LYS 8 11.231 -0.357 0.216
65 H VAL 9 H VAL 9 10.615 4.898 4.289
66 HA VAL 9 HA VAL 9 13.431 4.613 4.918
67 HB VAL 9 HB VAL 9 12.162 6.516 2.949
68 HG11 VAL 9 HG11 VAL 9 14.474 7.031 3.575
69 HG12 VAL 9 HG12 VAL 9 14.957 5.395 3.123
70 HG13 VAL 9 HG13 VAL 9 14.356 6.509 1.895
71 HG21 VAL 9 HG21 VAL 9 12.727 3.609 2.782
72 HG22 VAL 9 HG22 VAL 9 11.455 4.561 2.017
73 HG23 VAL 9 HG23 VAL 9 13.093 4.594 1.365
74 H ALA 10 H ALA 10 10.926 7.106 5.121
75 HA ALA 10 HA ALA 10 12.437 9.269 5.934
76 HB1 ALA 10 HB1 ALA 10 10.161 9.582 7.409
77 HB2 ALA 10 HB2 ALA 10 10.340 10.021 5.710
78 HB3 ALA 10 HB3 ALA 10 9.633 8.466 6.149
79 H ALA 11 H ALA 11 11.424 6.466 7.767
80 HA ALA 11 HA ALA 11 11.830 7.373 10.365
81 HB1 ALA 11 HB1 ALA 11 12.693 4.720 10.358
82 HB2 ALA 11 HB2 ALA 11 11.064 5.312 10.687
83 HB3 ALA 11 HB3 ALA 11 11.513 4.829 9.051
84 H HIS 12 H HIS 12 14.125 6.530 7.898
85 HA HIS 12 HA HIS 12 16.297 7.332 9.689
86 HB2 HIS 12 HB2 HIS 12 16.068 4.778 9.527
87 HB3 HIS 12 HB3 HIS 12 16.624 4.957 7.866
88 HD1 HIS 12 HD1 HIS 12 18.503 3.329 9.257
89 HD2 HIS 12 HD2 HIS 12 18.619 7.455 9.735
90 HE1 HIS 12 HE1 HIS 12 20.820 3.845 10.089
91 HB2 I4G 13 HB2 I4G 13 17.699 10.608 6.886
92 HB3 I4G 13 HB3 I4G 13 17.310 9.319 5.746
93 HG I4G 13 HG I4G 13 14.815 10.569 6.482
94 HD13 I4G 13 HD13 I4G 13 16.965 12.596 5.644
95 HD11 I4G 13 HD11 I4G 13 15.221 12.917 5.696
96 HD12 I4G 13 HD12 I4G 13 16.104 12.583 7.189
97 HD23 I4G 13 HD23 I4G 13 15.318 9.431 4.328
98 HD22 I4G 13 HD22 I4G 13 16.454 10.720 3.898
99 HD21 I4G 13 HD21 I4G 13 14.723 11.073 4.049
100 HA2 I4G 13 HA2 I4G 13 15.751 10.858 8.559
101 HA3 I4G 13 HA3 I4G 13 15.038 9.364 9.194
102 H VAL 14 H VAL 14 15.392 9.965 11.242
103 HA VAL 14 HA VAL 14 18.212 9.935 12.105
104 HB VAL 14 HB VAL 14 15.968 11.037 13.774
105 HG11 VAL 14 HG11 VAL 14 18.555 10.483 14.383
106 HG12 VAL 14 HG12 VAL 14 18.670 12.176 13.896
107 HG13 VAL 14 HG13 VAL 14 17.575 11.703 15.196
108 HG21 VAL 14 HG21 VAL 14 17.624 12.533 11.745
109 HG22 VAL 14 HG22 VAL 14 15.882 12.264 11.688
110 HG23 VAL 14 HG23 VAL 14 16.576 13.283 12.950
111 H GLY 15 H GLY 15 16.342 7.662 11.610
112 HA2 GLY 15 HA2 GLY 15 15.369 6.564 13.989
113 HA3 GLY 15 HA3 GLY 15 15.855 5.639 12.575
114 H ALA 16 H ALA 16 18.542 6.107 12.446
115 HA ALA 16 HA ALA 16 19.626 4.256 14.180
116 HB1 ALA 16 HB1 ALA 16 21.006 4.635 12.407
117 HB2 ALA 16 HB2 ALA 16 20.768 6.382 12.450
118 HB3 ALA 16 HB3 ALA 16 21.832 5.608 13.625
119 H ILE 17 H ILE 17 20.463 7.716 14.363
120 HA ILE 17 HA ILE 17 21.560 7.681 16.894
121 HB ILE 17 HB ILE 17 20.026 9.955 15.628
122 HG12 ILE 17 HG12 ILE 17 23.013 9.564 15.650
123 HG13 ILE 17 HG13 ILE 17 22.005 8.909 14.365
124 HG21 ILE 17 HG21 ILE 17 22.069 10.971 17.212
125 HG22 ILE 17 HG22 ILE 17 20.343 10.997 17.567
126 HG23 ILE 17 HG23 ILE 17 21.350 9.686 18.182
127 HD11 ILE 17 HD11 ILE 17 21.682 11.776 15.017
128 HD12 ILE 17 HD12 ILE 17 23.163 11.281 14.197
129 HD13 ILE 17 HD13 ILE 17 21.595 10.945 13.464
130 H ALA 18 H ALA 18 18.183 7.953 15.952
131 HA ALA 18 HA ALA 18 17.071 8.737 18.384
132 HB1 ALA 18 HB1 ALA 18 15.515 8.802 16.724
133 HB2 ALA 18 HB2 ALA 18 16.070 7.298 15.990
134 HB3 ALA 18 HB3 ALA 18 15.083 7.254 17.451
135 H GLU 19 H GLU 19 17.744 5.471 17.153
136 HA GLU 19 HA GLU 19 16.680 4.034 19.302
137 HB2 GLU 19 HB2 GLU 19 17.958 3.407 16.933
138 HB3 GLU 19 HB3 GLU 19 19.084 2.832 18.155
139 HG2 GLU 19 HG2 GLU 19 16.296 2.110 18.660
140 HG3 GLU 19 HG3 GLU 19 16.969 1.429 17.180
141 H HIS 20 H HIS 20 19.564 5.894 19.051
142 HA HIS 20 HA HIS 20 20.821 4.639 21.350
143 HB2 HIS 20 HB2 HIS 20 21.620 6.629 19.302
144 HB3 HIS 20 HB3 HIS 20 22.363 6.801 20.889
145 HD1 HIS 20 HD1 HIS 20 24.324 5.340 21.356
146 HD2 HIS 20 HD2 HIS 20 22.089 3.982 18.129
147 HE1 HIS 20 HE1 HIS 20 25.638 3.429 20.385
148 H PHE 21 H PHE 21 19.030 7.539 20.545
149 HA PHE 21 HA PHE 21 19.559 8.932 22.967
150 HB2 PHE 21 HB2 PHE 21 17.913 9.316 20.587
151 HB3 PHE 21 HB3 PHE 21 17.124 9.886 22.054
152 HD1 PHE 21 HD2 PHE 21 20.217 10.185 20.041
153 HD2 PHE 21 HD1 PHE 21 17.745 11.910 23.047
154 HE1 PHE 21 HE2 PHE 21 21.556 12.247 19.954
155 HE2 PHE 21 HE1 PHE 21 19.080 13.975 22.963
156 HZ PHE 21 HZ PHE 21 20.989 14.146 21.417
157 HN1 NH2 22 HN1 NH2 22 16.832 6.760 21.756
158 HN2 NH2 22 HN2 NH2 22 16.058 6.494 23.347
Start of MODEL 14
1 H1 GLY 1 H GLY 1 3.035 -0.340 -3.331
2 HA2 GLY 1 HA2 GLY 1 4.003 -1.287 -0.743
3 HA3 GLY 1 HA3 GLY 1 4.842 -1.424 -2.281
4 H LEU 2 H LEU 2 4.793 1.216 -3.132
5 HA LEU 2 HA LEU 2 7.011 2.285 -1.790
6 HB2 LEU 2 HB2 LEU 2 5.487 2.875 -4.098
7 HB3 LEU 2 HB3 LEU 2 5.587 4.355 -3.146
8 HG LEU 2 HG LEU 2 8.125 3.898 -3.106
9 HD11 LEU 2 HD11 LEU 2 8.569 1.852 -3.960
10 HD12 LEU 2 HD12 LEU 2 8.589 2.754 -5.476
11 HD13 LEU 2 HD13 LEU 2 7.147 1.855 -5.004
12 HD21 LEU 2 HD21 LEU 2 6.645 5.558 -4.533
13 HD22 LEU 2 HD22 LEU 2 7.208 4.539 -5.859
14 HD23 LEU 2 HD23 LEU 2 8.373 5.372 -4.830
15 H PHE 3 H PHE 3 3.599 2.666 -1.279
16 HA PHE 3 HA PHE 3 3.481 5.073 0.087
17 HB2 PHE 3 HB2 PHE 3 1.700 3.064 -0.481
18 HB3 PHE 3 HB3 PHE 3 1.827 2.955 1.271
19 HD1 PHE 3 HD2 PHE 3 1.725 5.768 -1.183
20 HD2 PHE 3 HD1 PHE 3 0.090 4.001 2.327
21 HE1 PHE 3 HE2 PHE 3 0.171 7.662 -0.957
22 HE2 PHE 3 HE1 PHE 3 -1.467 5.891 2.558
23 HZ PHE 3 HZ PHE 3 -1.427 7.726 0.916
24 H GLY 4 H GLY 4 3.917 1.822 1.498
25 HA2 GLY 4 HA2 GLY 4 4.279 2.629 4.144
26 HA3 GLY 4 HA3 GLY 4 4.917 1.146 3.449
27 H VAL 5 H VAL 5 6.423 2.895 1.457
28 HA VAL 5 HA VAL 5 8.779 3.217 3.132
29 HB VAL 5 HB VAL 5 8.566 3.630 0.150
30 HG11 VAL 5 HG11 VAL 5 11.015 3.065 0.279
31 HG12 VAL 5 HG12 VAL 5 10.556 4.608 1.003
32 HG13 VAL 5 HG13 VAL 5 10.879 3.211 2.031
33 HG21 VAL 5 HG21 VAL 5 8.442 1.195 1.706
34 HG22 VAL 5 HG22 VAL 5 8.207 1.438 -0.025
35 HG23 VAL 5 HG23 VAL 5 9.832 1.201 0.620
36 H LEU 6 H LEU 6 6.407 5.157 1.515
37 HA LEU 6 HA LEU 6 7.736 7.559 1.165
38 HB2 LEU 6 HB2 LEU 6 5.132 6.674 0.966
39 HB3 LEU 6 HB3 LEU 6 5.047 7.901 2.227
40 HG LEU 6 HG LEU 6 6.145 8.344 -0.549
41 HD11 LEU 6 HD11 LEU 6 3.907 9.906 -0.246
42 HD12 LEU 6 HD12 LEU 6 3.436 8.388 0.518
43 HD13 LEU 6 HD13 LEU 6 3.999 8.396 -1.153
44 HD21 LEU 6 HD21 LEU 6 5.894 10.754 0.151
45 HD22 LEU 6 HD22 LEU 6 7.191 9.858 0.943
46 HD23 LEU 6 HD23 LEU 6 5.681 10.167 1.801
47 H ALA 7 H ALA 7 6.000 6.418 4.054
48 HA ALA 7 HA ALA 7 6.643 8.697 5.628
49 HB1 ALA 7 HB1 ALA 7 4.813 6.795 5.906
50 HB2 ALA 7 HB2 ALA 7 6.058 6.106 6.950
51 HB3 ALA 7 HB3 ALA 7 5.423 7.718 7.280
52 H LYS 8 H LYS 8 8.257 5.694 4.936
53 HA LYS 8 HA LYS 8 10.005 5.530 7.104
54 HB2 LYS 8 HB2 LYS 8 9.683 4.251 4.588
55 HB3 LYS 8 HB3 LYS 8 11.371 4.727 4.723
56 HG2 LYS 8 HG2 LYS 8 9.903 3.178 6.843
57 HG3 LYS 8 HG3 LYS 8 10.846 2.430 5.551
58 HD2 LYS 8 HD2 LYS 8 12.578 4.307 6.571
59 HD3 LYS 8 HD3 LYS 8 11.732 3.731 8.009
60 HE2 LYS 8 HE2 LYS 8 12.292 1.433 6.541
61 HE3 LYS 8 HE3 LYS 8 13.745 2.421 6.397
62 HZ1 LYS 8 HZ1 LYS 8 13.299 2.674 8.980
63 HZ2 LYS 8 HZ2 LYS 8 14.208 1.398 8.343
64 HZ3 LYS 8 HZ3 LYS 8 12.585 1.157 8.754
65 H VAL 9 H VAL 9 10.063 7.570 4.273
66 HA VAL 9 HA VAL 9 12.743 8.378 4.317
67 HB VAL 9 HB VAL 9 10.403 10.117 3.533
68 HG11 VAL 9 HG11 VAL 9 12.530 11.290 3.672
69 HG12 VAL 9 HG12 VAL 9 13.282 10.080 2.631
70 HG13 VAL 9 HG13 VAL 9 12.018 11.132 1.992
71 HG21 VAL 9 HG21 VAL 9 11.508 7.692 2.297
72 HG22 VAL 9 HG22 VAL 9 9.926 8.447 2.102
73 HG23 VAL 9 HG23 VAL 9 11.313 9.063 1.204
74 H ALA 10 H ALA 10 9.911 9.669 6.006
75 HA ALA 10 HA ALA 10 11.317 11.837 7.216
76 HB1 ALA 10 HB1 ALA 10 9.061 12.258 7.088
77 HB2 ALA 10 HB2 ALA 10 8.616 10.617 7.556
78 HB3 ALA 10 HB3 ALA 10 9.218 11.747 8.769
79 H ALA 11 H ALA 11 10.856 8.494 7.993
80 HA ALA 11 HA ALA 11 11.645 8.812 10.765
81 HB1 ALA 11 HB1 ALA 11 10.949 6.678 11.085
82 HB2 ALA 11 HB2 ALA 11 10.049 7.014 9.606
83 HB3 ALA 11 HB3 ALA 11 11.569 6.124 9.530
84 H HIS 12 H HIS 12 13.154 8.317 7.736
85 HA HIS 12 HA HIS 12 15.713 7.841 9.098
86 HB2 HIS 12 HB2 HIS 12 14.692 5.765 7.945
87 HB3 HIS 12 HB3 HIS 12 15.107 6.575 6.437
88 HD1 HIS 12 HD1 HIS 12 17.867 7.636 6.999
89 HD2 HIS 12 HD2 HIS 12 16.605 3.877 8.240
90 HE1 HIS 12 HE1 HIS 12 19.969 6.291 7.317
91 HB2 I4G 13 HB2 I4G 13 15.713 11.587 6.109
92 HB3 I4G 13 HB3 I4G 13 15.842 12.452 7.641
93 HG I4G 13 HG I4G 13 18.082 12.557 7.104
94 HD13 I4G 13 HD13 I4G 13 17.973 9.616 7.983
95 HD11 I4G 13 HD11 I4G 13 19.437 10.617 7.939
96 HD12 I4G 13 HD12 I4G 13 18.130 11.010 9.060
97 HD23 I4G 13 HD23 I4G 13 17.680 11.688 4.808
98 HD22 I4G 13 HD22 I4G 13 17.750 10.025 5.411
99 HD21 I4G 13 HD21 I4G 13 19.194 11.053 5.466
100 HA2 I4G 13 HA2 I4G 13 15.152 11.756 9.368
101 HA3 I4G 13 HA3 I4G 13 14.247 10.231 9.408
102 H VAL 14 H VAL 14 15.251 11.386 11.614
103 HA VAL 14 HA VAL 14 17.403 9.510 12.354
104 HB VAL 14 HB VAL 14 16.914 12.095 13.807
105 HG11 VAL 14 HG11 VAL 14 19.599 10.914 13.575
106 HG12 VAL 14 HG12 VAL 14 18.776 11.601 14.977
107 HG13 VAL 14 HG13 VAL 14 18.421 9.950 14.466
108 HG21 VAL 14 HG21 VAL 14 19.142 12.598 12.332
109 HG22 VAL 14 HG22 VAL 14 18.156 11.699 11.178
110 HG23 VAL 14 HG23 VAL 14 17.522 13.165 11.926
111 H GLY 15 H GLY 15 14.435 9.231 12.434
112 HA2 GLY 15 HA2 GLY 15 13.455 9.486 15.050
113 HA3 GLY 15 HA3 GLY 15 12.845 8.364 13.843
114 H ALA 16 H ALA 16 14.291 6.386 13.511
115 HA ALA 16 HA ALA 16 14.462 4.995 15.959
116 HB1 ALA 16 HB1 ALA 16 14.092 4.056 13.611
117 HB2 ALA 16 HB2 ALA 16 15.848 4.121 13.445
118 HB3 ALA 16 HB3 ALA 16 15.117 3.130 14.708
119 H ILE 17 H ILE 17 16.972 6.308 13.812
120 HA ILE 17 HA ILE 17 19.231 5.420 15.121
121 HB ILE 17 HB ILE 17 18.855 8.114 13.807
122 HG12 ILE 17 HG12 ILE 17 19.964 5.556 12.638
123 HG13 ILE 17 HG13 ILE 17 18.309 6.104 12.401
124 HG21 ILE 17 HG21 ILE 17 21.410 7.627 13.385
125 HG22 ILE 17 HG22 ILE 17 20.858 8.395 14.872
126 HG23 ILE 17 HG23 ILE 17 21.234 6.672 14.857
127 HD11 ILE 17 HD11 ILE 17 20.849 7.309 11.380
128 HD12 ILE 17 HD12 ILE 17 19.422 6.788 10.482
129 HD13 ILE 17 HD13 ILE 17 19.357 8.245 11.474
130 H ALA 18 H ALA 18 17.075 8.044 15.979
131 HA ALA 18 HA ALA 18 18.717 9.304 17.894
132 HB1 ALA 18 HB1 ALA 18 15.723 9.211 17.590
133 HB2 ALA 18 HB2 ALA 18 16.557 10.217 18.776
134 HB3 ALA 18 HB3 ALA 18 16.825 10.480 17.053
135 H GLU 19 H GLU 19 16.042 6.983 18.338
136 HA GLU 19 HA GLU 19 16.322 6.677 21.099
137 HB2 GLU 19 HB2 GLU 19 14.650 5.658 19.151
138 HB3 GLU 19 HB3 GLU 19 15.508 4.232 19.720
139 HG2 GLU 19 HG2 GLU 19 14.778 5.638 22.022
140 HG3 GLU 19 HG3 GLU 19 13.374 5.694 20.958
141 H HIS 20 H HIS 20 18.230 5.463 18.507
142 HA HIS 20 HA HIS 20 19.348 3.198 19.774
143 HB2 HIS 20 HB2 HIS 20 19.741 4.670 17.322
144 HB3 HIS 20 HB3 HIS 20 21.294 4.246 18.036
145 HD1 HIS 20 HD1 HIS 20 20.562 1.466 19.170
146 HD2 HIS 20 HD2 HIS 20 19.569 2.787 15.358
147 HE1 HIS 20 HE1 HIS 20 20.225 -0.617 17.803
148 H PHE 21 H PHE 21 20.017 6.605 19.975
149 HA PHE 21 HA PHE 21 22.403 6.072 21.604
150 HB2 PHE 21 HB2 PHE 21 21.478 8.450 20.027
151 HB3 PHE 21 HB3 PHE 21 22.621 8.663 21.348
152 HD1 PHE 21 HD1 PHE 21 22.089 6.806 18.181
153 HD2 PHE 21 HD2 PHE 21 24.894 8.291 21.017
154 HE1 PHE 21 HE1 PHE 21 23.934 6.189 16.674
155 HE2 PHE 21 HE2 PHE 21 26.743 7.677 19.515
156 HZ PHE 21 HZ PHE 21 26.265 6.626 17.340
157 HN1 NH2 22 HN1 NH2 22 18.991 7.115 21.690
158 HN2 NH2 22 HN2 NH2 22 18.934 7.667 23.392
Start of MODEL 15
1 H1 GLY 1 H GLY 1 0.832 0.365 -2.223
2 HA2 GLY 1 HA2 GLY 1 2.060 -0.155 0.162
3 HA3 GLY 1 HA3 GLY 1 2.759 -0.585 -1.392
4 H LEU 2 H LEU 2 2.914 2.319 -2.122
5 HA LEU 2 HA LEU 2 5.570 2.766 -1.270
6 HB2 LEU 2 HB2 LEU 2 3.752 3.892 -3.129
7 HB3 LEU 2 HB3 LEU 2 4.371 5.204 -2.129
8 HG LEU 2 HG LEU 2 6.674 4.518 -2.724
9 HD11 LEU 2 HD11 LEU 2 6.934 2.992 -4.673
10 HD12 LEU 2 HD12 LEU 2 5.232 2.564 -4.506
11 HD13 LEU 2 HD13 LEU 2 6.365 2.196 -3.206
12 HD21 LEU 2 HD21 LEU 2 6.034 6.280 -4.032
13 HD22 LEU 2 HD22 LEU 2 4.669 5.411 -4.732
14 HD23 LEU 2 HD23 LEU 2 6.310 5.063 -5.278
15 H PHE 3 H PHE 3 2.469 3.796 -0.049
16 HA PHE 3 HA PHE 3 3.205 5.969 1.515
17 HB2 PHE 3 HB2 PHE 3 0.885 4.587 1.094
18 HB3 PHE 3 HB3 PHE 3 1.246 4.163 2.764
19 HD1 PHE 3 HD1 PHE 3 1.133 7.164 0.552
20 HD2 PHE 3 HD2 PHE 3 0.447 5.532 4.423
21 HE1 PHE 3 HE1 PHE 3 0.207 9.319 1.293
22 HE2 PHE 3 HE2 PHE 3 -0.481 7.684 5.170
23 HZ PHE 3 HZ PHE 3 -0.603 9.582 3.604
24 H GLY 4 H GLY 4 3.776 2.577 1.989
25 HA2 GLY 4 HA2 GLY 4 4.505 2.897 4.783
26 HA3 GLY 4 HA3 GLY 4 4.568 1.409 3.850
27 H VAL 5 H VAL 5 6.111 2.587 1.678
28 HA VAL 5 HA VAL 5 8.722 2.199 2.805
29 HB VAL 5 HB VAL 5 8.058 3.095 0.000
30 HG11 VAL 5 HG11 VAL 5 10.491 2.034 1.362
31 HG12 VAL 5 HG12 VAL 5 10.231 1.679 -0.347
32 HG13 VAL 5 HG13 VAL 5 10.335 3.353 0.202
33 HG21 VAL 5 HG21 VAL 5 6.946 1.142 -0.123
34 HG22 VAL 5 HG22 VAL 5 8.561 0.440 -0.215
35 HG23 VAL 5 HG23 VAL 5 7.712 0.496 1.329
36 H LEU 6 H LEU 6 6.772 4.923 1.862
37 HA LEU 6 HA LEU 6 8.803 6.856 1.609
38 HB2 LEU 6 HB2 LEU 6 6.021 6.786 1.429
39 HB3 LEU 6 HB3 LEU 6 6.365 7.933 2.722
40 HG LEU 6 HG LEU 6 7.327 8.083 -0.133
41 HD11 LEU 6 HD11 LEU 6 5.077 8.760 -0.055
42 HD12 LEU 6 HD12 LEU 6 6.016 10.251 -0.009
43 HD13 LEU 6 HD13 LEU 6 5.300 9.614 1.471
44 HD21 LEU 6 HD21 LEU 6 9.065 8.885 1.349
45 HD22 LEU 6 HD22 LEU 6 7.901 9.891 2.213
46 HD23 LEU 6 HD23 LEU 6 8.298 10.247 0.531
47 H ALA 7 H ALA 7 7.239 5.444 4.375
48 HA ALA 7 HA ALA 7 7.824 7.388 6.308
49 HB1 ALA 7 HB1 ALA 7 7.924 4.527 7.090
50 HB2 ALA 7 HB2 ALA 7 7.078 5.881 7.842
51 HB3 ALA 7 HB3 ALA 7 6.426 5.135 6.383
52 H LYS 8 H LYS 8 9.772 4.820 4.921
53 HA LYS 8 HA LYS 8 11.860 4.755 6.770
54 HB2 LYS 8 HB2 LYS 8 11.328 3.688 4.191
55 HB3 LYS 8 HB3 LYS 8 12.919 4.435 4.133
56 HG2 LYS 8 HG2 LYS 8 12.086 2.458 6.240
57 HG3 LYS 8 HG3 LYS 8 12.905 2.013 4.741
58 HD2 LYS 8 HD2 LYS 8 14.701 3.688 5.413
59 HD3 LYS 8 HD3 LYS 8 13.939 3.703 7.005
60 HE2 LYS 8 HE2 LYS 8 14.920 1.785 7.558
61 HE3 LYS 8 HE3 LYS 8 14.328 1.000 6.094
62 HZ1 LYS 8 HZ1 LYS 8 16.712 0.943 6.129
63 HZ2 LYS 8 HZ2 LYS 8 16.805 2.617 6.352
64 HZ3 LYS 8 HZ3 LYS 8 16.217 1.990 4.895
65 H VAL 9 H VAL 9 11.130 7.033 4.229
66 HA VAL 9 HA VAL 9 13.637 8.290 4.024
67 HB VAL 9 HB VAL 9 10.955 9.629 3.667
68 HG11 VAL 9 HG11 VAL 9 12.841 11.159 3.678
69 HG12 VAL 9 HG12 VAL 9 13.667 10.180 2.464
70 HG13 VAL 9 HG13 VAL 9 12.173 11.022 2.052
71 HG21 VAL 9 HG21 VAL 9 12.522 7.880 1.781
72 HG22 VAL 9 HG22 VAL 9 10.877 7.633 2.366
73 HG23 VAL 9 HG23 VAL 9 11.230 8.962 1.261
74 H ALA 10 H ALA 10 10.869 8.898 6.143
75 HA ALA 10 HA ALA 10 12.224 11.103 7.453
76 HB1 ALA 10 HB1 ALA 10 10.203 11.381 8.721
77 HB2 ALA 10 HB2 ALA 10 9.780 11.143 7.025
78 HB3 ALA 10 HB3 ALA 10 9.595 9.818 8.174
79 H ALA 11 H ALA 11 11.775 7.709 7.890
80 HA ALA 11 HA ALA 11 12.382 7.703 10.707
81 HB1 ALA 11 HB1 ALA 11 11.075 5.956 9.150
82 HB2 ALA 11 HB2 ALA 11 12.673 5.209 9.154
83 HB3 ALA 11 HB3 ALA 11 11.837 5.510 10.677
84 H HIS 12 H HIS 12 14.153 7.584 7.743
85 HA HIS 12 HA HIS 12 16.650 7.621 9.210
86 HB2 HIS 12 HB2 HIS 12 15.953 5.171 8.604
87 HB3 HIS 12 HB3 HIS 12 16.472 5.622 6.983
88 HD1 HIS 12 HD1 HIS 12 18.147 3.504 7.890
89 HD2 HIS 12 HD2 HIS 12 18.864 7.383 9.195
90 HE1 HIS 12 HE1 HIS 12 20.540 3.522 8.663
91 HB2 I4G 13 HB2 I4G 13 15.940 10.548 5.363
92 HB3 I4G 13 HB3 I4G 13 16.446 11.654 6.642
93 HG I4G 13 HG I4G 13 18.168 9.605 5.156
94 HD13 I4G 13 HD13 I4G 13 18.432 12.641 5.535
95 HD11 I4G 13 HD11 I4G 13 19.587 11.616 4.663
96 HD12 I4G 13 HD12 I4G 13 17.947 11.826 4.043
97 HD23 I4G 13 HD23 I4G 13 18.687 9.448 7.584
98 HD22 I4G 13 HD22 I4G 13 18.926 11.201 7.659
99 HD21 I4G 13 HD21 I4G 13 20.026 10.194 6.700
100 HA2 I4G 13 HA2 I4G 13 15.493 11.329 8.333
101 HA3 I4G 13 HA3 I4G 13 14.651 9.800 8.644
102 H VAL 14 H VAL 14 14.853 10.730 10.789
103 HA VAL 14 HA VAL 14 17.323 9.724 12.039
104 HB VAL 14 HB VAL 14 17.135 12.259 12.033
105 HG11 VAL 14 HG11 VAL 14 15.514 13.363 13.202
106 HG12 VAL 14 HG12 VAL 14 14.586 11.960 12.670
107 HG13 VAL 14 HG13 VAL 14 15.238 12.018 14.308
108 HG21 VAL 14 HG21 VAL 14 18.652 11.875 13.618
109 HG22 VAL 14 HG22 VAL 14 17.344 12.033 14.790
110 HG23 VAL 14 HG23 VAL 14 17.800 10.440 14.187
111 H GLY 15 H GLY 15 14.225 9.053 11.618
112 HA2 GLY 15 HA2 GLY 15 13.019 8.806 14.106
113 HA3 GLY 15 HA3 GLY 15 12.716 7.739 12.743
114 H ALA 16 H ALA 16 14.589 6.104 12.389
115 HA ALA 16 HA ALA 16 14.659 4.388 14.595
116 HB1 ALA 16 HB1 ALA 16 15.408 4.264 11.909
117 HB2 ALA 16 HB2 ALA 16 16.873 3.897 12.821
118 HB3 ALA 16 HB3 ALA 16 15.410 2.947 13.082
119 H ILE 17 H ILE 17 17.185 6.528 13.296
120 HA ILE 17 HA ILE 17 19.242 5.887 15.035
121 HB ILE 17 HB ILE 17 18.624 8.634 13.942
122 HG12 ILE 17 HG12 ILE 17 20.284 6.387 12.780
123 HG13 ILE 17 HG13 ILE 17 18.726 6.935 12.172
124 HG21 ILE 17 HG21 ILE 17 20.460 9.322 14.979
125 HG22 ILE 17 HG22 ILE 17 20.651 7.725 15.700
126 HG23 ILE 17 HG23 ILE 17 21.404 8.086 14.147
127 HD11 ILE 17 HD11 ILE 17 20.266 9.227 12.221
128 HD12 ILE 17 HD12 ILE 17 21.375 7.969 11.674
129 HD13 ILE 17 HD13 ILE 17 19.866 8.253 10.807
130 H ALA 18 H ALA 18 16.507 8.056 15.507
131 HA ALA 18 HA ALA 18 17.398 9.185 17.950
132 HB1 ALA 18 HB1 ALA 18 15.088 9.946 18.214
133 HB2 ALA 18 HB2 ALA 18 15.689 10.255 16.585
134 HB3 ALA 18 HB3 ALA 18 14.593 8.906 16.879
135 H GLU 19 H GLU 19 15.379 6.390 17.166
136 HA GLU 19 HA GLU 19 14.509 5.767 19.746
137 HB2 GLU 19 HB2 GLU 19 14.206 4.666 17.231
138 HB3 GLU 19 HB3 GLU 19 15.094 3.423 18.101
139 HG2 GLU 19 HG2 GLU 19 12.842 4.556 19.585
140 HG3 GLU 19 HG3 GLU 19 12.394 3.711 18.104
141 H HIS 20 H HIS 20 17.605 5.437 18.282
142 HA HIS 20 HA HIS 20 18.545 3.522 20.264
143 HB2 HIS 20 HB2 HIS 20 19.624 4.674 17.740
144 HB3 HIS 20 HB3 HIS 20 20.787 4.142 18.951
145 HD1 HIS 20 HD1 HIS 20 21.404 1.749 18.837
146 HD2 HIS 20 HD2 HIS 20 17.723 2.485 17.057
147 HE1 HIS 20 HE1 HIS 20 20.687 -0.447 17.843
148 H PHE 21 H PHE 21 19.251 6.857 19.251
149 HA PHE 21 HA PHE 21 21.187 7.438 21.170
150 HB2 PHE 21 HB2 PHE 21 19.433 8.982 19.382
151 HB3 PHE 21 HB3 PHE 21 19.945 9.850 20.825
152 HD1 PHE 21 HD1 PHE 21 21.215 7.945 17.911
153 HD2 PHE 21 HD2 PHE 21 22.080 10.781 20.964
154 HE1 PHE 21 HE1 PHE 21 23.379 8.430 16.844
155 HE2 PHE 21 HE2 PHE 21 24.244 11.271 19.902
156 HZ PHE 21 HZ PHE 21 24.896 10.095 17.839
157 HN1 NH2 22 HN1 NH2 22 17.714 8.748 21.218
158 HN2 NH2 22 HN2 NH2 22 17.498 8.671 22.993
Start of MODEL 16
1 H1 GLY 1 H GLY 1 2.193 0.476 -0.455
2 HA2 GLY 1 HA2 GLY 1 0.934 2.415 1.357
3 HA3 GLY 1 HA3 GLY 1 2.187 1.263 1.794
4 H LEU 2 H LEU 2 1.582 4.210 -0.073
5 HA LEU 2 HA LEU 2 4.212 4.873 -0.685
6 HB2 LEU 2 HB2 LEU 2 1.728 6.035 -1.008
7 HB3 LEU 2 HB3 LEU 2 2.588 7.182 0.018
8 HG LEU 2 HG LEU 2 2.754 7.758 -2.357
9 HD11 LEU 2 HD11 LEU 2 5.096 8.176 -2.406
10 HD12 LEU 2 HD12 LEU 2 5.421 6.830 -1.314
11 HD13 LEU 2 HD13 LEU 2 4.581 8.262 -0.721
12 HD21 LEU 2 HD21 LEU 2 4.509 5.399 -2.841
13 HD22 LEU 2 HD22 LEU 2 3.591 6.377 -3.986
14 HD23 LEU 2 HD23 LEU 2 2.760 5.206 -2.962
15 H PHE 3 H PHE 3 2.359 5.411 2.257
16 HA PHE 3 HA PHE 3 4.015 7.196 3.578
17 HB2 PHE 3 HB2 PHE 3 1.784 5.623 4.234
18 HB3 PHE 3 HB3 PHE 3 3.020 5.198 5.413
19 HD1 PHE 3 HD2 PHE 3 1.049 7.981 4.014
20 HD2 PHE 3 HD1 PHE 3 3.648 6.695 7.130
21 HE1 PHE 3 HE2 PHE 3 0.538 10.028 5.280
22 HE2 PHE 3 HE1 PHE 3 3.141 8.740 8.402
23 HZ PHE 3 HZ PHE 3 1.585 10.410 7.477
24 H GLY 4 H GLY 4 4.233 3.665 3.388
25 HA2 GLY 4 HA2 GLY 4 6.400 3.375 5.179
26 HA3 GLY 4 HA3 GLY 4 5.918 2.211 3.954
27 H VAL 5 H VAL 5 6.278 3.851 1.677
28 HA VAL 5 HA VAL 5 9.001 3.419 1.149
29 HB VAL 5 HB VAL 5 7.204 5.329 -0.344
30 HG11 VAL 5 HG11 VAL 5 9.337 5.611 -1.204
31 HG12 VAL 5 HG12 VAL 5 9.766 3.915 -0.968
32 HG13 VAL 5 HG13 VAL 5 8.660 4.374 -2.263
33 HG21 VAL 5 HG21 VAL 5 7.166 2.391 -0.141
34 HG22 VAL 5 HG22 VAL 5 5.881 3.516 -0.582
35 HG23 VAL 5 HG23 VAL 5 7.089 3.045 -1.777
36 H LEU 6 H LEU 6 7.350 6.076 2.599
37 HA LEU 6 HA LEU 6 9.580 7.906 2.191
38 HB2 LEU 6 HB2 LEU 6 7.735 9.198 2.054
39 HB3 LEU 6 HB3 LEU 6 6.778 8.123 3.070
40 HG LEU 6 HG LEU 6 7.871 9.077 5.064
41 HD11 LEU 6 HD11 LEU 6 8.913 11.476 4.059
42 HD12 LEU 6 HD12 LEU 6 9.624 10.189 3.085
43 HD13 LEU 6 HD13 LEU 6 9.791 10.161 4.841
44 HD21 LEU 6 HD21 LEU 6 5.760 10.014 3.860
45 HD22 LEU 6 HD22 LEU 6 6.810 11.382 3.488
46 HD23 LEU 6 HD23 LEU 6 6.507 10.933 5.167
47 H ALA 7 H ALA 7 7.979 6.136 4.792
48 HA ALA 7 HA ALA 7 9.613 7.207 6.874
49 HB1 ALA 7 HB1 ALA 7 8.654 4.849 7.872
50 HB2 ALA 7 HB2 ALA 7 7.814 6.400 7.931
51 HB3 ALA 7 HB3 ALA 7 7.456 5.251 6.641
52 H LYS 8 H LYS 8 9.943 4.622 4.600
53 HA LYS 8 HA LYS 8 11.731 2.943 5.924
54 HB2 LYS 8 HB2 LYS 8 10.718 3.238 3.287
55 HB3 LYS 8 HB3 LYS 8 12.468 3.125 3.166
56 HG2 LYS 8 HG2 LYS 8 12.222 1.082 4.718
57 HG3 LYS 8 HG3 LYS 8 10.522 1.127 4.243
58 HD2 LYS 8 HD2 LYS 8 11.252 1.058 1.864
59 HD3 LYS 8 HD3 LYS 8 12.912 0.846 2.424
60 HE2 LYS 8 HE2 LYS 8 12.517 -1.283 3.207
61 HE3 LYS 8 HE3 LYS 8 10.792 -0.996 3.427
62 HZ1 LYS 8 HZ1 LYS 8 11.406 -0.734 0.704
63 HZ2 LYS 8 HZ2 LYS 8 10.420 -1.887 1.451
64 HZ3 LYS 8 HZ3 LYS 8 12.073 -2.189 1.253
65 H VAL 9 H VAL 9 12.203 6.070 4.500
66 HA VAL 9 HA VAL 9 15.052 5.922 4.308
67 HB VAL 9 HB VAL 9 13.366 8.420 4.476
68 HG11 VAL 9 HG11 VAL 9 15.216 9.401 3.166
69 HG12 VAL 9 HG12 VAL 9 15.732 8.831 4.755
70 HG13 VAL 9 HG13 VAL 9 16.097 7.880 3.314
71 HG21 VAL 9 HG21 VAL 9 13.539 8.312 1.937
72 HG22 VAL 9 HG22 VAL 9 13.976 6.616 2.149
73 HG23 VAL 9 HG23 VAL 9 12.408 7.200 2.707
74 H ALA 10 H ALA 10 12.773 7.228 6.681
75 HA ALA 10 HA ALA 10 14.612 8.469 8.380
76 HB1 ALA 10 HB1 ALA 10 12.825 8.905 9.653
77 HB2 ALA 10 HB2 ALA 10 11.897 8.164 8.349
78 HB3 ALA 10 HB3 ALA 10 12.364 7.206 9.754
79 H ALA 11 H ALA 11 13.860 5.121 7.911
80 HA ALA 11 HA ALA 11 15.336 4.362 10.328
81 HB1 ALA 11 HB1 ALA 11 13.277 3.214 10.176
82 HB2 ALA 11 HB2 ALA 11 13.543 2.808 8.480
83 HB3 ALA 11 HB3 ALA 11 14.522 2.045 9.733
84 H HIS 12 H HIS 12 15.566 4.426 6.874
85 HA HIS 12 HA HIS 12 18.186 3.092 7.054
86 HB2 HIS 12 HB2 HIS 12 16.338 1.775 5.869
87 HB3 HIS 12 HB3 HIS 12 16.433 2.996 4.603
88 HD1 HIS 12 HD1 HIS 12 17.073 0.473 3.447
89 HD2 HIS 12 HD2 HIS 12 19.959 2.516 5.629
90 HE1 HIS 12 HE1 HIS 12 19.278 -0.476 2.698
91 HB2 I4G 13 HB2 I4G 13 20.454 7.146 6.695
92 HB3 I4G 13 HB3 I4G 13 20.244 6.485 5.073
93 HG I4G 13 HG I4G 13 17.752 7.438 5.333
94 HD13 I4G 13 HD13 I4G 13 19.333 9.213 7.277
95 HD11 I4G 13 HD11 I4G 13 17.712 9.571 6.655
96 HD12 I4G 13 HD12 I4G 13 17.968 8.174 7.706
97 HD23 I4G 13 HD23 I4G 13 19.405 8.166 3.622
98 HD22 I4G 13 HD22 I4G 13 20.169 9.244 4.801
99 HD21 I4G 13 HD21 I4G 13 18.508 9.550 4.262
100 HA2 I4G 13 HA2 I4G 13 19.719 4.083 7.872
101 HA3 I4G 13 HA3 I4G 13 20.484 5.669 8.076
102 H VAL 14 H VAL 14 19.798 4.415 10.220
103 HA VAL 14 HA VAL 14 17.257 5.617 11.095
104 HB VAL 14 HB VAL 14 17.612 3.117 11.387
105 HG11 VAL 14 HG11 VAL 14 19.228 3.778 13.803
106 HG12 VAL 14 HG12 VAL 14 19.128 2.271 12.890
107 HG13 VAL 14 HG13 VAL 14 20.038 3.636 12.243
108 HG21 VAL 14 HG21 VAL 14 15.892 3.540 12.739
109 HG22 VAL 14 HG22 VAL 14 17.057 3.601 14.062
110 HG23 VAL 14 HG23 VAL 14 16.575 5.087 13.242
111 H GLY 15 H GLY 15 20.329 6.486 10.951
112 HA2 GLY 15 HA2 GLY 15 21.232 7.072 13.503
113 HA3 GLY 15 HA3 GLY 15 21.587 8.041 12.081
114 H ALA 16 H ALA 16 19.002 8.941 11.482
115 HA ALA 16 HA ALA 16 18.808 11.223 13.061
116 HB1 ALA 16 HB1 ALA 16 17.632 10.336 10.745
117 HB2 ALA 16 HB2 ALA 16 16.271 10.431 11.863
118 HB3 ALA 16 HB3 ALA 16 17.270 11.854 11.568
119 H ILE 17 H ILE 17 16.479 8.515 13.007
120 HA ILE 17 HA ILE 17 15.056 9.312 15.281
121 HB ILE 17 HB ILE 17 15.417 6.512 14.205
122 HG12 ILE 17 HG12 ILE 17 13.123 8.412 13.719
123 HG13 ILE 17 HG13 ILE 17 14.503 8.293 12.633
124 HG21 ILE 17 HG21 ILE 17 12.890 6.888 15.414
125 HG22 ILE 17 HG22 ILE 17 14.197 5.819 15.921
126 HG23 ILE 17 HG23 ILE 17 14.111 7.465 16.549
127 HD11 ILE 17 HD11 ILE 17 13.187 6.813 11.580
128 HD12 ILE 17 HD12 ILE 17 13.806 5.702 12.802
129 HD13 ILE 17 HD13 ILE 17 12.234 6.470 13.023
130 H ALA 18 H ALA 18 17.924 7.305 14.928
131 HA ALA 18 HA ALA 18 18.063 6.185 17.466
132 HB1 ALA 18 HB1 ALA 18 20.663 6.493 16.959
133 HB2 ALA 18 HB2 ALA 18 19.668 5.289 16.139
134 HB3 ALA 18 HB3 ALA 18 20.028 6.823 15.347
135 H GLU 19 H GLU 19 19.308 9.312 16.328
136 HA GLU 19 HA GLU 19 20.553 10.114 18.696
137 HB2 GLU 19 HB2 GLU 19 20.162 11.212 16.192
138 HB3 GLU 19 HB3 GLU 19 19.266 12.299 17.243
139 HG2 GLU 19 HG2 GLU 19 21.708 11.827 18.529
140 HG3 GLU 19 HG3 GLU 19 22.092 12.084 16.828
141 H HIS 20 H HIS 20 17.217 9.894 17.882
142 HA HIS 20 HA HIS 20 16.345 11.694 19.979
143 HB2 HIS 20 HB2 HIS 20 15.147 10.419 17.670
144 HB3 HIS 20 HB3 HIS 20 14.140 10.210 19.100
145 HD1 HIS 20 HD1 HIS 20 14.324 12.846 20.487
146 HD2 HIS 20 HD2 HIS 20 14.096 12.526 16.351
147 HE1 HIS 20 HE1 HIS 20 13.441 15.062 19.688
148 H PHE 21 H PHE 21 15.967 8.219 19.275
149 HA PHE 21 HA PHE 21 14.803 7.536 21.734
150 HB2 PHE 21 HB2 PHE 21 16.191 6.023 19.565
151 HB3 PHE 21 HB3 PHE 21 15.896 5.209 21.098
152 HD1 PHE 21 HD2 PHE 21 14.047 7.355 18.667
153 HD2 PHE 21 HD1 PHE 21 13.968 3.989 21.270
154 HE1 PHE 21 HE2 PHE 21 11.743 6.865 17.957
155 HE2 PHE 21 HE1 PHE 21 11.664 3.493 20.564
156 HZ PHE 21 HZ PHE 21 10.548 4.933 18.906
157 HN1 NH2 22 HN1 NH2 22 18.128 8.431 20.834
158 HN2 NH2 22 HN2 NH2 22 18.947 7.949 22.351
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -1.005 1.166 -1.643
2 HA2 GLY 1 HA2 GLY 1 0.456 1.346 0.500
3 HA3 GLY 1 HA3 GLY 1 0.946 0.187 -0.726
4 H LEU 2 H LEU 2 1.603 2.518 -2.546
5 HA LEU 2 HA LEU 2 4.340 2.597 -2.167
6 HB2 LEU 2 HB2 LEU 2 4.261 4.666 -3.604
7 HB3 LEU 2 HB3 LEU 2 3.498 3.223 -4.270
8 HG LEU 2 HG LEU 2 1.467 4.645 -2.941
9 HD11 LEU 2 HD11 LEU 2 3.203 6.537 -3.140
10 HD12 LEU 2 HD12 LEU 2 1.556 6.841 -3.691
11 HD13 LEU 2 HD13 LEU 2 2.827 6.495 -4.863
12 HD21 LEU 2 HD21 LEU 2 2.165 4.290 -5.850
13 HD22 LEU 2 HD22 LEU 2 0.635 4.952 -5.275
14 HD23 LEU 2 HD23 LEU 2 1.085 3.294 -4.875
15 H PHE 3 H PHE 3 1.844 4.595 -0.760
16 HA PHE 3 HA PHE 3 3.383 6.734 0.156
17 HB2 PHE 3 HB2 PHE 3 0.730 5.857 0.444
18 HB3 PHE 3 HB3 PHE 3 1.354 6.016 2.082
19 HD1 PHE 3 HD2 PHE 3 1.789 7.962 -1.075
20 HD2 PHE 3 HD1 PHE 3 0.713 7.990 3.043
21 HE1 PHE 3 HE2 PHE 3 1.446 10.395 -1.185
22 HE2 PHE 3 HE1 PHE 3 0.367 10.424 2.939
23 HZ PHE 3 HZ PHE 3 0.734 11.630 0.823
24 H GLY 4 H GLY 4 2.987 3.492 1.411
25 HA2 GLY 4 HA2 GLY 4 4.341 4.109 3.901
26 HA3 GLY 4 HA3 GLY 4 3.765 2.530 3.387
27 H VAL 5 H VAL 5 5.227 3.095 0.742
28 HA VAL 5 HA VAL 5 7.728 1.890 1.593
29 HB VAL 5 HB VAL 5 6.849 2.520 -1.225
30 HG11 VAL 5 HG11 VAL 5 9.220 1.373 -0.063
31 HG12 VAL 5 HG12 VAL 5 8.427 0.218 -1.136
32 HG13 VAL 5 HG13 VAL 5 8.891 1.809 -1.739
33 HG21 VAL 5 HG21 VAL 5 5.161 1.129 -0.198
34 HG22 VAL 5 HG22 VAL 5 6.109 0.164 -1.329
35 HG23 VAL 5 HG23 VAL 5 6.395 0.023 0.405
36 H LEU 6 H LEU 6 6.544 4.959 0.560
37 HA LEU 6 HA LEU 6 9.204 5.962 -0.077
38 HB2 LEU 6 HB2 LEU 6 7.830 6.983 -1.548
39 HB3 LEU 6 HB3 LEU 6 6.431 6.867 -0.483
40 HG LEU 6 HG LEU 6 7.274 8.802 0.792
41 HD11 LEU 6 HD11 LEU 6 9.683 8.227 -0.440
42 HD12 LEU 6 HD12 LEU 6 9.313 9.651 0.532
43 HD13 LEU 6 HD13 LEU 6 9.145 9.713 -1.222
44 HD21 LEU 6 HD21 LEU 6 5.670 9.124 -1.020
45 HD22 LEU 6 HD22 LEU 6 6.995 9.284 -2.173
46 HD23 LEU 6 HD23 LEU 6 6.781 10.489 -0.902
47 H ALA 7 H ALA 7 6.676 6.363 2.353
48 HA ALA 7 HA ALA 7 8.039 8.410 3.804
49 HB1 ALA 7 HB1 ALA 7 5.622 6.737 4.249
50 HB2 ALA 7 HB2 ALA 7 6.346 7.553 5.635
51 HB3 ALA 7 HB3 ALA 7 5.799 8.492 4.247
52 H LYS 8 H LYS 8 8.180 4.957 3.745
53 HA LYS 8 HA LYS 8 9.135 4.395 6.303
54 HB2 LYS 8 HB2 LYS 8 8.838 3.008 3.842
55 HB3 LYS 8 HB3 LYS 8 10.482 2.733 4.403
56 HG2 LYS 8 HG2 LYS 8 8.046 2.302 6.113
57 HG3 LYS 8 HG3 LYS 8 8.807 1.036 5.146
58 HD2 LYS 8 HD2 LYS 8 10.740 1.039 6.442
59 HD3 LYS 8 HD3 LYS 8 10.418 2.648 7.091
60 HE2 LYS 8 HE2 LYS 8 9.607 1.623 8.896
61 HE3 LYS 8 HE3 LYS 8 8.231 1.159 7.897
62 HZ1 LYS 8 HZ1 LYS 8 10.147 -0.499 9.085
63 HZ2 LYS 8 HZ2 LYS 8 10.312 -0.643 7.408
64 HZ3 LYS 8 HZ3 LYS 8 8.817 -0.946 8.139
65 H VAL 9 H VAL 9 10.841 5.482 3.410
66 HA VAL 9 HA VAL 9 13.458 5.222 4.473
67 HB VAL 9 HB VAL 9 12.578 7.136 2.311
68 HG11 VAL 9 HG11 VAL 9 15.232 5.787 2.794
69 HG12 VAL 9 HG12 VAL 9 14.857 6.951 1.522
70 HG13 VAL 9 HG13 VAL 9 14.853 7.457 3.212
71 HG21 VAL 9 HG21 VAL 9 11.755 5.056 1.594
72 HG22 VAL 9 HG22 VAL 9 13.313 5.228 0.786
73 HG23 VAL 9 HG23 VAL 9 13.166 4.191 2.204
74 H ALA 10 H ALA 10 11.159 7.908 4.321
75 HA ALA 10 HA ALA 10 12.791 9.953 5.264
76 HB1 ALA 10 HB1 ALA 10 9.964 9.886 6.171
77 HB2 ALA 10 HB2 ALA 10 10.893 11.201 5.450
78 HB3 ALA 10 HB3 ALA 10 10.277 9.896 4.435
79 H ALA 11 H ALA 11 11.400 7.263 6.937
80 HA ALA 11 HA ALA 11 11.558 8.347 9.571
81 HB1 ALA 11 HB1 ALA 11 11.529 5.441 8.771
82 HB2 ALA 11 HB2 ALA 11 11.089 6.123 10.338
83 HB3 ALA 11 HB3 ALA 11 10.089 6.449 8.922
84 H HIS 12 H HIS 12 13.826 6.897 7.409
85 HA HIS 12 HA HIS 12 15.868 7.002 9.526
86 HB2 HIS 12 HB2 HIS 12 15.087 4.641 8.755
87 HB3 HIS 12 HB3 HIS 12 16.027 4.985 7.306
88 HD1 HIS 12 HD1 HIS 12 16.603 5.055 11.073
89 HD2 HIS 12 HD2 HIS 12 18.587 4.165 7.533
90 HE1 HIS 12 HE1 HIS 12 18.873 4.222 11.765
91 HB2 I4G 13 HB2 I4G 13 17.619 10.835 7.519
92 HB3 I4G 13 HB3 I4G 13 18.251 9.431 6.656
93 HG I4G 13 HG I4G 13 17.027 11.220 5.231
94 HD13 I4G 13 HD13 I4G 13 16.005 8.327 5.103
95 HD11 I4G 13 HD11 I4G 13 15.879 9.514 3.791
96 HD12 I4G 13 HD12 I4G 13 17.465 8.941 4.317
97 HD23 I4G 13 HD23 I4G 13 15.141 11.616 6.803
98 HD22 I4G 13 HD22 I4G 13 14.575 9.955 6.564
99 HD21 I4G 13 HD21 I4G 13 14.543 11.108 5.218
100 HA2 I4G 13 HA2 I4G 13 15.670 10.691 8.771
101 HA3 I4G 13 HA3 I4G 13 15.102 9.111 9.342
102 H VAL 14 H VAL 14 15.334 9.956 11.397
103 HA VAL 14 HA VAL 14 18.118 10.081 12.349
104 HB VAL 14 HB VAL 14 16.581 12.060 12.777
105 HG11 VAL 14 HG11 VAL 14 15.446 10.621 15.097
106 HG12 VAL 14 HG12 VAL 14 14.757 11.914 14.113
107 HG13 VAL 14 HG13 VAL 14 14.751 10.253 13.519
108 HG21 VAL 14 HG21 VAL 14 18.263 12.407 14.198
109 HG22 VAL 14 HG22 VAL 14 17.243 11.685 15.443
110 HG23 VAL 14 HG23 VAL 14 18.403 10.687 14.566
111 H GLY 15 H GLY 15 15.879 7.843 11.952
112 HA2 GLY 15 HA2 GLY 15 15.286 6.671 14.383
113 HA3 GLY 15 HA3 GLY 15 15.537 5.775 12.892
114 H ALA 16 H ALA 16 18.304 6.557 12.582
115 HA ALA 16 HA ALA 16 19.545 4.472 13.987
116 HB1 ALA 16 HB1 ALA 16 21.615 6.140 13.297
117 HB2 ALA 16 HB2 ALA 16 20.906 4.895 12.268
118 HB3 ALA 16 HB3 ALA 16 20.360 6.566 12.133
119 H ILE 17 H ILE 17 20.057 7.983 14.402
120 HA ILE 17 HA ILE 17 21.566 7.799 16.745
121 HB ILE 17 HB ILE 17 19.749 10.078 15.959
122 HG12 ILE 17 HG12 ILE 17 22.644 9.561 15.246
123 HG13 ILE 17 HG13 ILE 17 21.281 9.476 14.136
124 HG21 ILE 17 HG21 ILE 17 21.389 9.659 18.228
125 HG22 ILE 17 HG22 ILE 17 22.152 10.900 17.236
126 HG23 ILE 17 HG23 ILE 17 20.488 11.107 17.780
127 HD11 ILE 17 HD11 ILE 17 21.094 12.003 15.247
128 HD12 ILE 17 HD12 ILE 17 22.823 11.756 14.998
129 HD13 ILE 17 HD13 ILE 17 21.705 11.592 13.644
130 H ALA 18 H ALA 18 18.074 8.157 16.286
131 HA ALA 18 HA ALA 18 17.310 8.552 18.929
132 HB1 ALA 18 HB1 ALA 18 15.692 8.852 17.227
133 HB2 ALA 18 HB2 ALA 18 15.888 7.196 16.651
134 HB3 ALA 18 HB3 ALA 18 15.132 7.502 18.215
135 H GLU 19 H GLU 19 17.577 5.476 17.147
136 HA GLU 19 HA GLU 19 16.875 3.786 19.256
137 HB2 GLU 19 HB2 GLU 19 17.613 3.459 16.615
138 HB3 GLU 19 HB3 GLU 19 18.922 2.677 17.489
139 HG2 GLU 19 HG2 GLU 19 16.247 1.988 18.453
140 HG3 GLU 19 HG3 GLU 19 16.580 1.494 16.794
141 H HIS 20 H HIS 20 19.768 5.554 18.671
142 HA HIS 20 HA HIS 20 21.356 3.939 20.496
143 HB2 HIS 20 HB2 HIS 20 22.525 4.771 18.569
144 HB3 HIS 20 HB3 HIS 20 21.988 6.418 18.887
145 HD1 HIS 20 HD1 HIS 20 24.159 3.762 20.525
146 HD2 HIS 20 HD2 HIS 20 23.766 7.892 20.306
147 HE1 HIS 20 HE1 HIS 20 26.126 4.692 21.786
148 H PHE 21 H PHE 21 19.507 6.872 20.477
149 HA PHE 21 HA PHE 21 20.655 7.941 22.885
150 HB2 PHE 21 HB2 PHE 21 18.800 8.821 20.867
151 HB3 PHE 21 HB3 PHE 21 18.112 9.091 22.464
152 HD1 PHE 21 HD1 PHE 21 21.011 9.818 20.299
153 HD2 PHE 21 HD2 PHE 21 18.909 10.811 23.864
154 HE1 PHE 21 HE1 PHE 21 22.387 11.844 20.541
155 HE2 PHE 21 HE2 PHE 21 20.280 12.839 24.112
156 HZ PHE 21 HZ PHE 21 22.021 13.358 22.449
157 HN1 NH2 22 HN1 NH2 22 18.101 5.585 21.993
158 HN2 NH2 22 HN2 NH2 22 17.406 5.341 23.625
Start of MODEL 18
1 H1 GLY 1 H GLY 1 1.859 -1.295 -1.134
2 HA2 GLY 1 HA2 GLY 1 1.969 0.645 0.471
3 HA3 GLY 1 HA3 GLY 1 3.446 -0.307 0.417
4 H LEU 2 H LEU 2 2.241 1.936 -2.037
5 HA LEU 2 HA LEU 2 4.725 3.170 -2.430
6 HB2 LEU 2 HB2 LEU 2 2.103 3.354 -3.498
7 HB3 LEU 2 HB3 LEU 2 2.642 4.986 -3.110
8 HG LEU 2 HG LEU 2 3.171 4.570 -5.392
9 HD11 LEU 2 HD11 LEU 2 5.515 4.965 -5.424
10 HD12 LEU 2 HD12 LEU 2 5.734 4.172 -3.864
11 HD13 LEU 2 HD13 LEU 2 4.879 5.712 -3.958
12 HD21 LEU 2 HD21 LEU 2 4.945 2.265 -4.803
13 HD22 LEU 2 HD22 LEU 2 4.031 2.649 -6.261
14 HD23 LEU 2 HD23 LEU 2 3.206 1.974 -4.855
15 H PHE 3 H PHE 3 2.352 3.637 -0.008
16 HA PHE 3 HA PHE 3 3.295 6.304 0.683
17 HB2 PHE 3 HB2 PHE 3 1.033 6.292 1.061
18 HB3 PHE 3 HB3 PHE 3 1.004 4.585 1.489
19 HD1 PHE 3 HD2 PHE 3 1.547 7.986 2.713
20 HD2 PHE 3 HD1 PHE 3 1.425 3.860 3.749
21 HE1 PHE 3 HE2 PHE 3 1.471 8.591 5.096
22 HE2 PHE 3 HE1 PHE 3 1.349 4.458 6.135
23 HZ PHE 3 HZ PHE 3 1.373 6.826 6.811
24 H GLY 4 H GLY 4 3.681 2.998 1.667
25 HA2 GLY 4 HA2 GLY 4 4.972 3.752 4.175
26 HA3 GLY 4 HA3 GLY 4 4.630 2.116 3.631
27 H VAL 5 H VAL 5 5.842 3.047 0.941
28 HA VAL 5 HA VAL 5 8.535 2.189 1.603
29 HB VAL 5 HB VAL 5 7.271 2.771 -1.079
30 HG11 VAL 5 HG11 VAL 5 9.223 1.587 -2.008
31 HG12 VAL 5 HG12 VAL 5 9.670 3.080 -1.182
32 HG13 VAL 5 HG13 VAL 5 9.930 1.524 -0.394
33 HG21 VAL 5 HG21 VAL 5 6.829 0.644 0.636
34 HG22 VAL 5 HG22 VAL 5 6.487 0.682 -1.094
35 HG23 VAL 5 HG23 VAL 5 8.017 0.026 -0.512
36 H LEU 6 H LEU 6 6.856 5.102 0.829
37 HA LEU 6 HA LEU 6 9.303 6.535 0.163
38 HB2 LEU 6 HB2 LEU 6 7.724 7.424 -1.183
39 HB3 LEU 6 HB3 LEU 6 6.410 7.031 -0.076
40 HG LEU 6 HG LEU 6 7.014 8.989 1.295
41 HD11 LEU 6 HD11 LEU 6 8.570 10.448 -0.564
42 HD12 LEU 6 HD12 LEU 6 9.376 8.905 -0.283
43 HD13 LEU 6 HD13 LEU 6 8.992 9.959 1.078
44 HD21 LEU 6 HD21 LEU 6 5.737 10.368 0.047
45 HD22 LEU 6 HD22 LEU 6 5.544 8.931 -0.957
46 HD23 LEU 6 HD23 LEU 6 6.731 10.161 -1.396
47 H ALA 7 H ALA 7 6.863 6.394 2.709
48 HA ALA 7 HA ALA 7 7.973 8.532 4.243
49 HB1 ALA 7 HB1 ALA 7 5.587 7.716 4.337
50 HB2 ALA 7 HB2 ALA 7 6.182 6.347 5.278
51 HB3 ALA 7 HB3 ALA 7 6.369 7.989 5.895
52 H LYS 8 H LYS 8 8.629 5.154 3.938
53 HA LYS 8 HA LYS 8 9.772 4.578 6.414
54 HB2 LYS 8 HB2 LYS 8 9.582 3.329 3.871
55 HB3 LYS 8 HB3 LYS 8 11.272 3.277 4.355
56 HG2 LYS 8 HG2 LYS 8 9.007 2.357 6.108
57 HG3 LYS 8 HG3 LYS 8 9.914 1.294 5.029
58 HD2 LYS 8 HD2 LYS 8 11.993 1.944 6.210
59 HD3 LYS 8 HD3 LYS 8 11.021 2.898 7.333
60 HE2 LYS 8 HE2 LYS 8 10.229 1.067 8.412
61 HE3 LYS 8 HE3 LYS 8 10.217 0.079 6.952
62 HZ1 LYS 8 HZ1 LYS 8 12.775 0.877 8.174
63 HZ2 LYS 8 HZ2 LYS 8 12.432 -0.457 7.193
64 HZ3 LYS 8 HZ3 LYS 8 11.911 -0.436 8.802
65 H VAL 9 H VAL 9 11.129 6.171 3.583
66 HA VAL 9 HA VAL 9 13.800 6.262 4.614
67 HB VAL 9 HB VAL 9 12.625 7.985 2.432
68 HG11 VAL 9 HG11 VAL 9 15.452 7.143 3.064
69 HG12 VAL 9 HG12 VAL 9 14.959 8.038 1.625
70 HG13 VAL 9 HG13 VAL 9 14.772 8.763 3.222
71 HG21 VAL 9 HG21 VAL 9 12.170 5.700 1.860
72 HG22 VAL 9 HG22 VAL 9 13.528 6.256 0.881
73 HG23 VAL 9 HG23 VAL 9 13.814 5.218 2.278
74 H ALA 10 H ALA 10 11.101 8.546 4.415
75 HA ALA 10 HA ALA 10 12.334 10.851 5.307
76 HB1 ALA 10 HB1 ALA 10 9.902 10.438 4.534
77 HB2 ALA 10 HB2 ALA 10 9.581 10.147 6.244
78 HB3 ALA 10 HB3 ALA 10 10.219 11.705 5.719
79 H ALA 11 H ALA 11 11.382 8.020 7.109
80 HA ALA 11 HA ALA 11 11.489 9.144 9.703
81 HB1 ALA 11 HB1 ALA 11 10.587 7.157 10.110
82 HB2 ALA 11 HB2 ALA 11 11.113 6.539 8.543
83 HB3 ALA 11 HB3 ALA 11 12.193 6.449 9.934
84 H HIS 12 H HIS 12 13.899 7.451 7.725
85 HA HIS 12 HA HIS 12 15.971 8.401 9.594
86 HB2 HIS 12 HB2 HIS 12 15.540 5.863 9.447
87 HB3 HIS 12 HB3 HIS 12 16.291 5.963 7.857
88 HD1 HIS 12 HD1 HIS 12 18.522 8.041 8.705
89 HD2 HIS 12 HD2 HIS 12 17.598 4.505 10.680
90 HE1 HIS 12 HE1 HIS 12 20.598 7.423 9.983
91 HB2 I4G 13 HB2 I4G 13 17.421 11.847 6.871
92 HB3 I4G 13 HB3 I4G 13 18.008 10.349 6.148
93 HG I4G 13 HG I4G 13 15.884 10.114 4.857
94 HD13 I4G 13 HD13 I4G 13 15.105 12.790 6.148
95 HD11 I4G 13 HD11 I4G 13 14.219 11.992 4.835
96 HD12 I4G 13 HD12 I4G 13 14.307 11.237 6.429
97 HD23 I4G 13 HD23 I4G 13 17.779 11.370 3.847
98 HD22 I4G 13 HD22 I4G 13 17.172 12.877 4.550
99 HD21 I4G 13 HD21 I4G 13 16.229 12.031 3.311
100 HA2 I4G 13 HA2 I4G 13 15.900 11.925 8.396
101 HA3 I4G 13 HA3 I4G 13 15.007 10.516 8.999
102 H VAL 14 H VAL 14 15.275 11.144 11.057
103 HA VAL 14 HA VAL 14 17.874 10.411 12.182
104 HB VAL 14 HB VAL 14 16.427 12.814 13.260
105 HG11 VAL 14 HG11 VAL 14 18.172 13.032 14.664
106 HG12 VAL 14 HG12 VAL 14 18.429 11.323 14.309
107 HG13 VAL 14 HG13 VAL 14 19.349 12.553 13.442
108 HG21 VAL 14 HG21 VAL 14 18.591 12.791 11.158
109 HG22 VAL 14 HG22 VAL 14 16.930 13.348 10.952
110 HG23 VAL 14 HG23 VAL 14 18.028 14.224 12.018
111 H GLY 15 H GLY 15 15.130 9.229 12.001
112 HA2 GLY 15 HA2 GLY 15 13.995 9.350 14.629
113 HA3 GLY 15 HA3 GLY 15 13.557 8.220 13.355
114 H ALA 16 H ALA 16 15.619 6.699 12.876
115 HA ALA 16 HA ALA 16 15.755 4.878 14.942
116 HB1 ALA 16 HB1 ALA 16 17.479 3.774 13.730
117 HB2 ALA 16 HB2 ALA 16 16.385 4.490 12.547
118 HB3 ALA 16 HB3 ALA 16 17.931 5.262 12.897
119 H ILE 17 H ILE 17 17.749 7.693 14.356
120 HA ILE 17 HA ILE 17 19.949 7.187 15.938
121 HB ILE 17 HB ILE 17 18.482 9.806 15.606
122 HG12 ILE 17 HG12 ILE 17 19.247 8.855 13.492
123 HG13 ILE 17 HG13 ILE 17 20.221 10.259 13.912
124 HG21 ILE 17 HG21 ILE 17 21.204 10.272 16.048
125 HG22 ILE 17 HG22 ILE 17 19.863 10.638 17.133
126 HG23 ILE 17 HG23 ILE 17 20.716 9.100 17.272
127 HD11 ILE 17 HD11 ILE 17 21.982 8.765 14.735
128 HD12 ILE 17 HD12 ILE 17 21.009 7.376 14.251
129 HD13 ILE 17 HD13 ILE 17 21.612 8.497 13.032
130 H ALA 18 H ALA 18 16.782 8.436 16.931
131 HA ALA 18 HA ALA 18 17.380 8.898 19.627
132 HB1 ALA 18 HB1 ALA 18 14.676 7.965 18.742
133 HB2 ALA 18 HB2 ALA 18 15.099 9.166 19.963
134 HB3 ALA 18 HB3 ALA 18 15.292 9.543 18.251
135 H GLU 19 H GLU 19 15.801 6.061 18.143
136 HA GLU 19 HA GLU 19 15.636 4.518 20.464
137 HB2 GLU 19 HB2 GLU 19 14.915 4.200 17.817
138 HB3 GLU 19 HB3 GLU 19 16.136 2.956 18.045
139 HG2 GLU 19 HG2 GLU 19 14.479 2.802 20.290
140 HG3 GLU 19 HG3 GLU 19 13.402 3.011 18.909
141 H HIS 20 H HIS 20 18.332 5.277 18.467
142 HA HIS 20 HA HIS 20 19.958 3.046 19.260
143 HB2 HIS 20 HB2 HIS 20 20.227 5.382 17.510
144 HB3 HIS 20 HB3 HIS 20 21.713 4.965 18.358
145 HD1 HIS 20 HD1 HIS 20 22.709 2.576 17.873
146 HD2 HIS 20 HD2 HIS 20 19.515 3.680 15.456
147 HE1 HIS 20 HE1 HIS 20 22.732 0.959 15.947
148 H PHE 21 H PHE 21 19.408 6.311 20.381
149 HA PHE 21 HA PHE 21 21.625 6.195 22.252
150 HB2 PHE 21 HB2 PHE 21 19.739 8.275 21.304
151 HB3 PHE 21 HB3 PHE 21 20.317 8.444 22.958
152 HD1 PHE 21 HD1 PHE 21 22.817 8.485 23.354
153 HD2 PHE 21 HD2 PHE 21 21.070 8.907 19.496
154 HE1 PHE 21 HE1 PHE 21 24.903 9.489 22.524
155 HE2 PHE 21 HE2 PHE 21 23.154 9.912 18.659
156 HZ PHE 21 HZ PHE 21 25.075 10.203 20.173
157 HN1 NH2 22 HN1 NH2 22 18.114 5.496 22.097
158 HN2 NH2 22 HN2 NH2 22 17.838 5.207 23.842
Start of MODEL 19
1 H1 GLY 1 H GLY 1 0.071 0.662 1.077
2 HA2 GLY 1 HA2 GLY 1 2.287 -0.233 -0.115
3 HA3 GLY 1 HA3 GLY 1 1.196 0.862 -0.951
4 H LEU 2 H LEU 2 2.163 2.550 -1.836
5 HA LEU 2 HA LEU 2 4.856 3.217 -1.376
6 HB2 LEU 2 HB2 LEU 2 2.590 4.446 -2.859
7 HB3 LEU 2 HB3 LEU 2 4.024 5.428 -2.563
8 HG LEU 2 HG LEU 2 4.308 2.731 -3.823
9 HD11 LEU 2 HD11 LEU 2 3.339 3.299 -5.736
10 HD12 LEU 2 HD12 LEU 2 4.178 4.849 -5.771
11 HD13 LEU 2 HD13 LEU 2 2.651 4.694 -4.904
12 HD21 LEU 2 HD21 LEU 2 6.152 4.055 -4.993
13 HD22 LEU 2 HD22 LEU 2 6.366 3.708 -3.277
14 HD23 LEU 2 HD23 LEU 2 5.843 5.312 -3.794
15 H PHE 3 H PHE 3 1.898 4.299 0.093
16 HA PHE 3 HA PHE 3 2.679 6.736 1.174
17 HB2 PHE 3 HB2 PHE 3 0.477 5.019 1.415
18 HB3 PHE 3 HB3 PHE 3 1.075 5.233 3.057
19 HD1 PHE 3 HD2 PHE 3 0.430 7.324 0.031
20 HD2 PHE 3 HD1 PHE 3 0.163 6.949 4.262
21 HE1 PHE 3 HE2 PHE 3 -0.694 9.509 0.150
22 HE2 PHE 3 HE1 PHE 3 -0.963 9.133 4.388
23 HZ PHE 3 HZ PHE 3 -1.392 10.417 2.331
24 H GLY 4 H GLY 4 3.381 3.464 2.227
25 HA2 GLY 4 HA2 GLY 4 4.509 4.281 4.749
26 HA3 GLY 4 HA3 GLY 4 4.572 2.671 4.048
27 H VAL 5 H VAL 5 5.696 3.797 1.516
28 HA VAL 5 HA VAL 5 8.460 3.594 2.272
29 HB VAL 5 HB VAL 5 7.356 4.286 -0.450
30 HG11 VAL 5 HG11 VAL 5 9.668 2.699 -0.605
31 HG12 VAL 5 HG12 VAL 5 9.498 4.405 -1.024
32 HG13 VAL 5 HG13 VAL 5 10.000 3.940 0.602
33 HG21 VAL 5 HG21 VAL 5 7.649 1.647 0.939
34 HG22 VAL 5 HG22 VAL 5 6.277 2.277 0.028
35 HG23 VAL 5 HG23 VAL 5 7.736 1.763 -0.818
36 H LEU 6 H LEU 6 6.263 6.159 1.361
37 HA LEU 6 HA LEU 6 8.162 8.156 0.790
38 HB2 LEU 6 HB2 LEU 6 5.385 7.950 0.865
39 HB3 LEU 6 HB3 LEU 6 5.777 9.196 2.049
40 HG LEU 6 HG LEU 6 6.576 9.214 -0.862
41 HD11 LEU 6 HD11 LEU 6 4.800 10.534 -1.311
42 HD12 LEU 6 HD12 LEU 6 4.799 11.271 0.291
43 HD13 LEU 6 HD13 LEU 6 4.101 9.669 0.058
44 HD21 LEU 6 HD21 LEU 6 7.044 11.684 -0.148
45 HD22 LEU 6 HD22 LEU 6 8.252 10.431 0.139
46 HD23 LEU 6 HD23 LEU 6 7.217 10.978 1.459
47 H ALA 7 H ALA 7 6.542 7.237 3.804
48 HA ALA 7 HA ALA 7 7.895 9.272 5.331
49 HB1 ALA 7 HB1 ALA 7 6.478 6.938 6.554
50 HB2 ALA 7 HB2 ALA 7 6.613 8.597 7.139
51 HB3 ALA 7 HB3 ALA 7 5.567 8.228 5.767
52 H LYS 8 H LYS 8 8.435 5.957 4.479
53 HA LYS 8 HA LYS 8 10.123 5.136 6.543
54 HB2 LYS 8 HB2 LYS 8 9.318 4.160 4.000
55 HB3 LYS 8 HB3 LYS 8 11.073 4.075 4.063
56 HG2 LYS 8 HG2 LYS 8 10.714 2.953 6.355
57 HG3 LYS 8 HG3 LYS 8 9.057 2.709 5.798
58 HD2 LYS 8 HD2 LYS 8 9.662 1.155 4.265
59 HD3 LYS 8 HD3 LYS 8 11.191 1.957 3.900
60 HE2 LYS 8 HE2 LYS 8 10.843 0.674 6.566
61 HE3 LYS 8 HE3 LYS 8 11.122 -0.355 5.162
62 HZ1 LYS 8 HZ1 LYS 8 13.126 0.968 4.691
63 HZ2 LYS 8 HZ2 LYS 8 13.206 0.179 6.185
64 HZ3 LYS 8 HZ3 LYS 8 12.879 1.837 6.121
65 H VAL 9 H VAL 9 10.677 7.305 3.897
66 HA VAL 9 HA VAL 9 13.465 7.206 3.713
67 HB VAL 9 HB VAL 9 11.781 9.688 3.377
68 HG11 VAL 9 HG11 VAL 9 13.614 9.977 1.529
69 HG12 VAL 9 HG12 VAL 9 13.958 10.409 3.205
70 HG13 VAL 9 HG13 VAL 9 14.529 8.872 2.555
71 HG21 VAL 9 HG21 VAL 9 11.731 8.964 0.951
72 HG22 VAL 9 HG22 VAL 9 12.249 7.374 1.511
73 HG23 VAL 9 HG23 VAL 9 10.712 8.043 2.057
74 H ALA 10 H ALA 10 11.363 9.103 5.840
75 HA ALA 10 HA ALA 10 13.347 10.676 7.041
76 HB1 ALA 10 HB1 ALA 10 11.457 11.565 7.806
77 HB2 ALA 10 HB2 ALA 10 10.551 10.084 7.492
78 HB3 ALA 10 HB3 ALA 10 11.433 10.274 9.007
79 H ALA 11 H ALA 11 12.464 7.359 7.498
80 HA ALA 11 HA ALA 11 14.088 7.182 9.935
81 HB1 ALA 11 HB1 ALA 11 12.295 5.092 8.708
82 HB2 ALA 11 HB2 ALA 11 13.086 5.012 10.283
83 HB3 ALA 11 HB3 ALA 11 11.822 6.207 9.990
84 H HIS 12 H HIS 12 14.656 7.113 6.769
85 HA HIS 12 HA HIS 12 16.623 4.925 6.958
86 HB2 HIS 12 HB2 HIS 12 14.684 4.875 5.194
87 HB3 HIS 12 HB3 HIS 12 15.696 6.028 4.329
88 HD1 HIS 12 HD1 HIS 12 16.182 2.612 5.951
89 HD2 HIS 12 HD2 HIS 12 17.379 4.794 2.624
90 HE1 HIS 12 HE1 HIS 12 17.637 1.056 4.613
91 HB2 I4G 13 HB2 I4G 13 20.213 7.684 8.029
92 HB3 I4G 13 HB3 I4G 13 20.186 7.478 6.277
93 HG I4G 13 HG I4G 13 18.398 9.308 6.163
94 HD13 I4G 13 HD13 I4G 13 19.163 9.704 9.111
95 HD11 I4G 13 HD11 I4G 13 18.181 10.825 8.150
96 HD12 I4G 13 HD12 I4G 13 17.574 9.207 8.515
97 HD23 I4G 13 HD23 I4G 13 20.792 9.777 5.676
98 HD22 I4G 13 HD22 I4G 13 21.092 10.095 7.392
99 HD21 I4G 13 HD21 I4G 13 20.025 11.164 6.463
100 HA2 I4G 13 HA2 I4G 13 17.612 5.296 8.402
101 HA3 I4G 13 HA3 I4G 13 19.384 5.359 8.386
102 H VAL 14 H VAL 14 16.985 5.453 10.341
103 HA VAL 14 HA VAL 14 18.391 7.192 12.221
104 HB VAL 14 HB VAL 14 15.392 7.345 12.048
105 HG11 VAL 14 HG11 VAL 14 16.965 9.609 13.040
106 HG12 VAL 14 HG12 VAL 14 15.534 8.832 13.722
107 HG13 VAL 14 HG13 VAL 14 17.131 8.133 13.991
108 HG21 VAL 14 HG21 VAL 14 17.394 9.155 10.701
109 HG22 VAL 14 HG22 VAL 14 16.213 8.115 9.904
110 HG23 VAL 14 HG23 VAL 14 15.670 9.492 10.862
111 H GLY 15 H GLY 15 17.965 4.265 11.797
112 HA2 GLY 15 HA2 GLY 15 16.172 3.213 13.680
113 HA3 GLY 15 HA3 GLY 15 17.608 2.396 13.080
114 H ALA 16 H ALA 16 19.711 3.237 14.072
115 HA ALA 16 HA ALA 16 19.601 2.826 16.860
116 HB1 ALA 16 HB1 ALA 16 21.547 2.559 15.069
117 HB2 ALA 16 HB2 ALA 16 21.986 4.148 15.697
118 HB3 ALA 16 HB3 ALA 16 21.871 2.769 16.791
119 H ILE 17 H ILE 17 20.173 5.756 14.931
120 HA ILE 17 HA ILE 17 20.673 7.565 16.952
121 HB ILE 17 HB ILE 17 19.078 8.072 14.437
122 HG12 ILE 17 HG12 ILE 17 22.012 8.602 14.890
123 HG13 ILE 17 HG13 ILE 17 21.429 7.075 14.236
124 HG21 ILE 17 HG21 ILE 17 18.747 9.882 15.965
125 HG22 ILE 17 HG22 ILE 17 20.470 9.954 16.333
126 HG23 ILE 17 HG23 ILE 17 19.890 10.412 14.732
127 HD11 ILE 17 HD11 ILE 17 21.993 9.457 12.858
128 HD12 ILE 17 HD12 ILE 17 21.333 7.953 12.214
129 HD13 ILE 17 HD13 ILE 17 20.247 9.221 12.782
130 H ALA 18 H ALA 18 17.634 6.148 15.972
131 HA ALA 18 HA ALA 18 15.922 7.955 17.326
132 HB1 ALA 18 HB1 ALA 18 14.241 6.114 17.122
133 HB2 ALA 18 HB2 ALA 18 15.007 6.585 15.604
134 HB3 ALA 18 HB3 ALA 18 15.515 5.110 16.427
135 H GLU 19 H GLU 19 17.080 4.699 18.210
136 HA GLU 19 HA GLU 19 15.902 4.592 20.740
137 HB2 GLU 19 HB2 GLU 19 17.481 2.915 19.216
138 HB3 GLU 19 HB3 GLU 19 18.507 3.275 20.597
139 HG2 GLU 19 HG2 GLU 19 15.744 2.606 21.290
140 HG3 GLU 19 HG3 GLU 19 16.638 1.306 20.505
141 H HIS 20 H HIS 20 18.641 6.344 19.616
142 HA HIS 20 HA HIS 20 19.859 6.701 22.197
143 HB2 HIS 20 HB2 HIS 20 20.306 8.052 19.532
144 HB3 HIS 20 HB3 HIS 20 21.238 8.423 20.979
145 HD1 HIS 20 HD1 HIS 20 21.123 5.163 21.674
146 HD2 HIS 20 HD2 HIS 20 22.759 7.119 18.394
147 HE1 HIS 20 HE1 HIS 20 22.849 3.588 20.744
148 H PHE 21 H PHE 21 18.069 8.822 19.963
149 HA PHE 21 HA PHE 21 17.947 11.012 21.756
150 HB2 PHE 21 HB2 PHE 21 16.677 10.291 19.167
151 HB3 PHE 21 HB3 PHE 21 15.875 11.525 20.134
152 HD1 PHE 21 HD2 PHE 21 19.054 10.638 18.473
153 HD2 PHE 21 HD1 PHE 21 16.714 13.717 20.249
154 HE1 PHE 21 HE2 PHE 21 20.631 12.323 17.621
155 HE2 PHE 21 HE1 PHE 21 18.287 15.408 19.399
156 HZ PHE 21 HZ PHE 21 20.249 14.711 18.084
157 HN1 NH2 22 HN1 NH2 22 16.228 7.912 21.551
158 HN2 NH2 22 HN2 NH2 22 14.894 8.273 22.689
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -0.378 3.480 0.502
2 HA2 GLY 1 HA2 GLY 1 0.707 4.046 -1.730
3 HA3 GLY 1 HA3 GLY 1 0.383 5.427 -0.693
4 H LEU 2 H LEU 2 2.048 6.714 -1.373
5 HA LEU 2 HA LEU 2 4.759 5.683 -1.410
6 HB2 LEU 2 HB2 LEU 2 3.358 7.866 -2.601
7 HB3 LEU 2 HB3 LEU 2 4.735 8.495 -1.700
8 HG LEU 2 HG LEU 2 5.184 6.224 -3.574
9 HD11 LEU 2 HD11 LEU 2 3.789 7.803 -4.841
10 HD12 LEU 2 HD12 LEU 2 5.441 7.727 -5.453
11 HD13 LEU 2 HD13 LEU 2 4.930 9.094 -4.463
12 HD21 LEU 2 HD21 LEU 2 7.343 7.256 -3.814
13 HD22 LEU 2 HD22 LEU 2 6.963 7.119 -2.097
14 HD23 LEU 2 HD23 LEU 2 6.810 8.676 -2.913
15 H PHE 3 H PHE 3 2.730 7.726 0.580
16 HA PHE 3 HA PHE 3 4.617 8.991 2.161
17 HB2 PHE 3 HB2 PHE 3 1.889 8.849 2.151
18 HB3 PHE 3 HB3 PHE 3 2.276 7.984 3.635
19 HD1 PHE 3 HD1 PHE 3 2.733 11.188 1.849
20 HD2 PHE 3 HD2 PHE 3 2.946 9.132 5.570
21 HE1 PHE 3 HE1 PHE 3 3.034 13.335 3.014
22 HE2 PHE 3 HE2 PHE 3 3.247 11.275 6.741
23 HZ PHE 3 HZ PHE 3 3.290 13.380 5.463
24 H GLY 4 H GLY 4 3.310 5.719 2.429
25 HA2 GLY 4 HA2 GLY 4 4.571 5.098 4.900
26 HA3 GLY 4 HA3 GLY 4 3.914 3.939 3.754
27 H VAL 5 H VAL 5 5.686 5.132 1.620
28 HA VAL 5 HA VAL 5 7.921 3.377 2.079
29 HB VAL 5 HB VAL 5 7.539 5.295 -0.219
30 HG11 VAL 5 HG11 VAL 5 9.332 2.966 0.316
31 HG12 VAL 5 HG12 VAL 5 8.860 3.351 -1.340
32 HG13 VAL 5 HG13 VAL 5 9.718 4.546 -0.366
33 HG21 VAL 5 HG21 VAL 5 5.644 4.077 -0.518
34 HG22 VAL 5 HG22 VAL 5 6.786 2.963 -1.270
35 HG23 VAL 5 HG23 VAL 5 6.256 2.694 0.390
36 H LEU 6 H LEU 6 7.336 6.835 2.082
37 HA LEU 6 HA LEU 6 10.044 7.658 2.101
38 HB2 LEU 6 HB2 LEU 6 7.525 8.885 2.090
39 HB3 LEU 6 HB3 LEU 6 8.332 9.463 3.546
40 HG LEU 6 HG LEU 6 9.574 9.621 0.807
41 HD11 LEU 6 HD11 LEU 6 7.309 10.912 1.344
42 HD12 LEU 6 HD12 LEU 6 8.609 11.630 0.394
43 HD13 LEU 6 HD13 LEU 6 8.442 12.030 2.104
44 HD21 LEU 6 HD21 LEU 6 10.700 9.888 3.281
45 HD22 LEU 6 HD22 LEU 6 10.274 11.554 2.888
46 HD23 LEU 6 HD23 LEU 6 11.310 10.628 1.800
47 H ALA 7 H ALA 7 7.764 6.793 4.636
48 HA ALA 7 HA ALA 7 9.544 7.565 6.768
49 HB1 ALA 7 HB1 ALA 7 7.857 6.684 8.254
50 HB2 ALA 7 HB2 ALA 7 7.090 7.669 7.008
51 HB3 ALA 7 HB3 ALA 7 7.028 5.909 6.904
52 H LYS 8 H LYS 8 8.908 4.718 4.901
53 HA LYS 8 HA LYS 8 9.821 2.728 6.632
54 HB2 LYS 8 HB2 LYS 8 9.093 2.932 3.893
55 HB3 LYS 8 HB3 LYS 8 10.649 2.116 3.965
56 HG2 LYS 8 HG2 LYS 8 9.545 0.646 5.771
57 HG3 LYS 8 HG3 LYS 8 8.026 1.277 5.130
58 HD2 LYS 8 HD2 LYS 8 8.780 0.521 2.860
59 HD3 LYS 8 HD3 LYS 8 10.140 -0.280 3.649
60 HE2 LYS 8 HE2 LYS 8 7.540 -0.897 4.840
61 HE3 LYS 8 HE3 LYS 8 7.696 -1.410 3.160
62 HZ1 LYS 8 HZ1 LYS 8 8.886 -3.129 3.839
63 HZ2 LYS 8 HZ2 LYS 8 8.752 -2.627 5.449
64 HZ3 LYS 8 HZ3 LYS 8 10.050 -2.096 4.503
65 H VAL 9 H VAL 9 11.599 4.796 4.375
66 HA VAL 9 HA VAL 9 14.121 3.600 4.681
67 HB VAL 9 HB VAL 9 13.612 6.523 4.130
68 HG11 VAL 9 HG11 VAL 9 15.934 5.994 4.588
69 HG12 VAL 9 HG12 VAL 9 15.894 4.691 3.398
70 HG13 VAL 9 HG13 VAL 9 15.723 6.368 2.878
71 HG21 VAL 9 HG21 VAL 9 12.493 5.852 2.321
72 HG22 VAL 9 HG22 VAL 9 14.040 5.270 1.704
73 HG23 VAL 9 HG23 VAL 9 12.961 4.168 2.559
74 H ALA 10 H ALA 10 12.559 6.246 6.442
75 HA ALA 10 HA ALA 10 14.753 6.935 8.064
76 HB1 ALA 10 HB1 ALA 10 13.096 8.027 9.511
77 HB2 ALA 10 HB2 ALA 10 12.842 8.406 7.807
78 HB3 ALA 10 HB3 ALA 10 11.803 7.231 8.614
79 H ALA 11 H ALA 11 12.489 4.321 8.213
80 HA ALA 11 HA ALA 11 13.259 3.651 10.953
81 HB1 ALA 11 HB1 ALA 11 11.493 2.005 10.883
82 HB2 ALA 11 HB2 ALA 11 10.875 3.559 10.324
83 HB3 ALA 11 HB3 ALA 11 11.254 2.290 9.159
84 H HIS 12 H HIS 12 14.469 3.147 7.949
85 HA HIS 12 HA HIS 12 15.638 0.559 8.730
86 HB2 HIS 12 HB2 HIS 12 13.965 0.510 6.782
87 HB3 HIS 12 HB3 HIS 12 15.197 1.369 5.862
88 HD1 HIS 12 HD1 HIS 12 17.704 -0.146 6.719
89 HD2 HIS 12 HD2 HIS 12 14.113 -1.996 5.750
90 HE1 HIS 12 HE1 HIS 12 18.315 -2.494 6.056
91 HB2 I4G 13 HB2 I4G 13 19.333 3.369 9.905
92 HB3 I4G 13 HB3 I4G 13 19.759 2.214 8.641
93 HG I4G 13 HG I4G 13 18.903 3.737 6.889
94 HD13 I4G 13 HD13 I4G 13 18.153 5.621 9.196
95 HD11 I4G 13 HD11 I4G 13 18.080 6.035 7.473
96 HD12 I4G 13 HD12 I4G 13 17.013 4.791 8.129
97 HD23 I4G 13 HD23 I4G 13 21.250 4.046 7.651
98 HD22 I4G 13 HD22 I4G 13 20.714 5.208 8.874
99 HD21 I4G 13 HD21 I4G 13 20.542 5.588 7.151
100 HA2 I4G 13 HA2 I4G 13 16.316 1.514 10.336
101 HA3 I4G 13 HA3 I4G 13 17.998 1.514 10.899
102 H VAL 14 H VAL 14 17.062 2.190 12.848
103 HA VAL 14 HA VAL 14 16.486 5.081 12.893
104 HB VAL 14 HB VAL 14 15.786 3.202 15.131
105 HG11 VAL 14 HG11 VAL 14 14.696 4.952 16.042
106 HG12 VAL 14 HG12 VAL 14 15.777 5.902 15.021
107 HG13 VAL 14 HG13 VAL 14 14.134 5.551 14.482
108 HG21 VAL 14 HG21 VAL 14 14.387 2.168 13.711
109 HG22 VAL 14 HG22 VAL 14 13.409 3.626 13.878
110 HG23 VAL 14 HG23 VAL 14 14.502 3.450 12.505
111 H GLY 15 H GLY 15 19.116 3.678 12.913
112 HA2 GLY 15 HA2 GLY 15 20.255 3.677 15.478
113 HA3 GLY 15 HA3 GLY 15 21.142 3.872 13.973
114 H ALA 16 H ALA 16 20.923 6.126 12.980
115 HA ALA 16 HA ALA 16 21.953 8.005 14.810
116 HB1 ALA 16 HB1 ALA 16 20.790 8.987 12.269
117 HB2 ALA 16 HB2 ALA 16 22.361 9.315 13.002
118 HB3 ALA 16 HB3 ALA 16 22.082 7.792 12.159
119 H ILE 17 H ILE 17 18.781 7.780 13.217
120 HA ILE 17 HA ILE 17 17.611 10.090 14.162
121 HB ILE 17 HB ILE 17 16.271 7.407 13.804
122 HG12 ILE 17 HG12 ILE 17 16.617 9.727 11.892
123 HG13 ILE 17 HG13 ILE 17 17.443 8.176 11.788
124 HG21 ILE 17 HG21 ILE 17 14.900 8.924 15.117
125 HG22 ILE 17 HG22 ILE 17 15.098 10.183 13.899
126 HG23 ILE 17 HG23 ILE 17 14.213 8.710 13.507
127 HD11 ILE 17 HD11 ILE 17 14.753 7.520 11.875
128 HD12 ILE 17 HD12 ILE 17 14.834 8.945 10.838
129 HD13 ILE 17 HD13 ILE 17 15.802 7.520 10.457
130 H ALA 18 H ALA 18 18.263 7.111 15.856
131 HA ALA 18 HA ALA 18 16.569 7.595 18.089
132 HB1 ALA 18 HB1 ALA 18 17.272 5.356 17.648
133 HB2 ALA 18 HB2 ALA 18 18.973 5.811 17.751
134 HB3 ALA 18 HB3 ALA 18 17.963 5.843 19.196
135 H GLU 19 H GLU 19 20.082 7.980 17.616
136 HA GLU 19 HA GLU 19 20.610 9.079 20.148
137 HB2 GLU 19 HB2 GLU 19 22.113 8.350 17.936
138 HB3 GLU 19 HB3 GLU 19 22.350 10.089 18.037
139 HG2 GLU 19 HG2 GLU 19 22.587 8.694 20.596
140 HG3 GLU 19 HG3 GLU 19 23.789 8.227 19.395
141 H HIS 20 H HIS 20 19.179 10.426 17.334
142 HA HIS 20 HA HIS 20 19.745 13.173 18.027
143 HB2 HIS 20 HB2 HIS 20 17.766 12.132 15.994
144 HB3 HIS 20 HB3 HIS 20 18.446 13.754 16.082
145 HD1 HIS 20 HD1 HIS 20 21.419 12.493 16.612
146 HD2 HIS 20 HD2 HIS 20 18.855 11.793 13.418
147 HE1 HIS 20 HE1 HIS 20 22.892 11.729 14.722
148 H PHE 21 H PHE 21 16.945 11.001 18.097
149 HA PHE 21 HA PHE 21 15.759 12.671 20.176
150 HB2 PHE 21 HB2 PHE 21 14.102 13.469 18.907
151 HB3 PHE 21 HB3 PHE 21 14.847 12.722 17.498
152 HD1 PHE 21 HD1 PHE 21 12.361 12.252 20.175
153 HD2 PHE 21 HD2 PHE 21 13.923 10.785 16.497
154 HE1 PHE 21 HE1 PHE 21 10.426 10.748 19.957
155 HE2 PHE 21 HE2 PHE 21 11.990 9.279 16.273
156 HZ PHE 21 HZ PHE 21 10.238 9.259 18.004
157 HN1 NH2 22 HN1 NH2 22 15.660 9.601 18.147
158 HN2 NH2 22 HN2 NH2 22 15.002 8.529 19.421