Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653822 | 6rsg RC | 34405 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 54.108 7.849 -10.323
2 H2 GLY 1 HT2 GLY 1 54.090 9.422 -9.681
3 H3 GLY 1 HT3 GLY 1 52.633 8.586 -9.936
4 HA2 GLY 1 HA1 GLY 1 53.502 8.737 -7.599
5 HA3 GLY 1 HA2 GLY 1 52.957 7.161 -8.207
6 H TRP 2 HN TRP 2 54.869 7.829 -6.055
7 HA TRP 2 HA TRP 2 56.862 5.852 -6.716
8 HB2 TRP 2 HB2 TRP 2 58.855 7.387 -6.569
9 HB3 TRP 2 HB1 TRP 2 57.893 7.584 -8.053
10 HD1 TRP 2 HD1 TRP 2 56.684 9.849 -8.437
11 HE1 TRP 2 HE1 TRP 2 56.657 12.142 -7.210
12 HE3 TRP 2 HE3 TRP 2 59.015 8.467 -4.094
13 HZ2 TRP 2 HZ2 TRP 2 57.541 13.199 -4.681
14 HZ3 TRP 2 HZ3 TRP 2 59.413 10.135 -2.287
15 HH2 TRP 2 HH2 TRP 2 58.679 12.498 -2.578
16 H GLY 3 HN GLY 3 55.584 8.421 -4.715
17 HA2 GLY 3 HA1 GLY 3 57.254 8.081 -2.431
18 HA3 GLY 3 HA2 GLY 3 55.599 8.718 -2.422
19 H SER 4 HN SER 4 54.731 6.092 -3.751
20 HA SER 4 HA SER 4 55.262 4.003 -1.825
21 HB2 SER 4 HB2 SER 4 53.947 5.194 -0.246
22 HB3 SER 4 HB1 SER 4 52.756 5.676 -1.475
23 HG SER 4 HG SER 4 53.240 3.102 -0.369
24 H PHE 5 HN PHE 5 54.559 2.050 -2.554
25 HA PHE 5 HA PHE 5 53.540 1.971 -5.283
26 HB2 PHE 5 HB2 PHE 5 53.868 -0.295 -3.278
27 HB3 PHE 5 HB1 PHE 5 53.706 -0.448 -5.044
28 HD1 PHE 5 HD1 PHE 5 55.541 0.177 -6.545
29 HD2 PHE 5 HD2 PHE 5 55.931 0.585 -2.266
30 HE1 PHE 5 HE1 PHE 5 58.002 0.475 -6.798
31 HE2 PHE 5 HE2 PHE 5 58.392 0.884 -2.519
32 HZ PHE 5 HZ PHE 5 59.421 0.872 -4.788
33 H PHE 6 HN PHE 6 51.689 0.451 -5.841
34 HA PHE 6 HA PHE 6 49.282 1.505 -4.684
35 HB2 PHE 6 HB2 PHE 6 49.782 -0.934 -6.431
36 HB3 PHE 6 HB1 PHE 6 48.166 -0.311 -6.020
37 HD1 PHE 6 HD1 PHE 6 47.441 1.939 -6.798
38 HD2 PHE 6 HD2 PHE 6 51.221 0.237 -7.999
39 HE1 PHE 6 HE1 PHE 6 47.617 3.620 -8.629
40 HE2 PHE 6 HE2 PHE 6 51.395 1.917 -9.830
41 HZ PHE 6 HZ PHE 6 49.556 3.557 -10.193
42 H LYS 7 HN LYS 7 50.253 -1.950 -4.765
43 HA LYS 7 HA LYS 7 49.798 -3.652 -3.253
44 HB2 LYS 7 HB2 LYS 7 50.433 -1.365 -1.349
45 HB3 LYS 7 HB1 LYS 7 50.240 -3.057 -0.833
46 HG2 LYS 7 HG2 LYS 7 52.084 -3.771 -2.233
47 HG3 LYS 7 HG1 LYS 7 52.195 -2.165 -2.993
48 HD2 LYS 7 HD2 LYS 7 52.891 -1.151 -0.895
49 HD3 LYS 7 HD1 LYS 7 52.602 -2.672 -0.014
50 HE2 LYS 7 HE2 LYS 7 54.372 -3.790 -1.299
51 HE3 LYS 7 HE1 LYS 7 54.626 -2.320 -2.268
52 HZ1 LYS 7 HZ1 LYS 7 55.633 -2.972 0.317
53 HZ2 LYS 7 HZ2 LYS 7 54.776 -1.505 0.358
54 HZ3 LYS 7 HZ3 LYS 7 56.073 -1.704 -0.720
55 H LYS 8 HN LYS 8 48.650 -1.369 -0.858
56 HA LYS 8 HA LYS 8 46.072 -2.735 -0.749
57 HB2 LYS 8 HB2 LYS 8 47.369 -1.708 1.217
58 HB3 LYS 8 HB1 LYS 8 46.830 -0.126 0.614
59 HG2 LYS 8 HG2 LYS 8 45.095 -0.589 2.114
60 HG3 LYS 8 HG1 LYS 8 44.412 -1.303 0.637
61 HD2 LYS 8 HD2 LYS 8 45.462 -3.523 1.368
62 HD3 LYS 8 HD1 LYS 8 45.826 -2.740 2.923
63 HE2 LYS 8 HE2 LYS 8 43.446 -2.264 3.281
64 HE3 LYS 8 HE1 LYS 8 43.047 -2.944 1.686
65 HZ1 LYS 8 HZ1 LYS 8 44.603 -4.771 3.209
66 HZ2 LYS 8 HZ2 LYS 8 43.058 -4.979 2.535
67 HZ3 LYS 8 HZ3 LYS 8 43.228 -4.305 4.085
68 H ALA 9 HN ALA 9 46.875 0.747 -1.160
69 HA ALA 9 HA ALA 9 45.112 0.982 -3.476
70 HB1 ALA 9 HB1 ALA 9 44.241 2.298 -0.880
71 HB2 ALA 9 HB2 ALA 9 43.460 0.876 -1.614
72 HB3 ALA 9 HB3 ALA 9 43.448 2.439 -2.466
73 H ALA 10 HN ALA 10 45.197 3.058 -4.452
74 HA ALA 10 HA ALA 10 47.731 4.409 -3.960
75 HB1 ALA 10 HB1 ALA 10 46.927 5.930 -5.781
76 HB2 ALA 10 HB2 ALA 10 45.388 5.036 -5.785
77 HB3 ALA 10 HB3 ALA 10 46.900 4.206 -6.221
78 H HIS 11 HN HIS 11 47.866 6.810 -3.765
79 HA HIS 11 HA HIS 11 47.551 8.653 -2.391
80 HB2 HIS 11 HB2 HIS 11 44.582 8.112 -2.735
81 HB3 HIS 11 HB1 HIS 11 45.393 9.676 -2.477
82 HD1 HIS 11 HD1 HIS 11 43.588 9.221 -4.977
83 HD2 HIS 11 HD2 HIS 11 47.760 8.697 -4.906
84 HE1 HIS 11 HE1 HIS 11 44.419 9.399 -7.387
85 H ALA 12 HN ALA 12 47.892 6.145 -1.046
86 HA ALA 12 HA ALA 12 46.008 5.672 1.018
87 HB1 ALA 12 HB1 ALA 12 49.027 5.365 0.959
88 HB2 ALA 12 HB2 ALA 12 47.799 4.119 0.624
89 HB3 ALA 12 HB3 ALA 12 47.995 4.757 2.274
90 H GLY 13 HN GLY 13 46.724 5.991 3.447
91 HA2 GLY 13 HA1 GLY 13 46.470 8.817 3.947
92 HA3 GLY 13 HA2 GLY 13 46.730 7.549 5.161
93 H LYS 14 HN LYS 14 48.391 9.510 2.680
94 HA LYS 14 HA LYS 14 50.530 10.181 4.503
95 HB2 LYS 14 HB2 LYS 14 51.101 7.773 3.954
96 HB3 LYS 14 HB1 LYS 14 51.312 8.280 2.261
97 HG2 LYS 14 HG2 LYS 14 53.012 9.950 2.990
98 HG3 LYS 14 HG1 LYS 14 52.827 9.383 4.668
99 HD2 LYS 14 HD2 LYS 14 53.438 7.060 3.860
100 HD3 LYS 14 HD1 LYS 14 53.830 7.779 2.280
101 HE2 LYS 14 HE2 LYS 14 55.897 7.662 3.512
102 HE3 LYS 14 HE1 LYS 14 55.396 9.370 3.522
103 HZ1 LYS 14 HZ1 LYS 14 54.495 9.090 5.714
104 HZ2 LYS 14 HZ2 LYS 14 56.101 8.538 5.720
105 HZ3 LYS 14 HZ3 LYS 14 54.818 7.425 5.702
106 H HIS 15 HN HIS 15 50.389 9.427 0.988
107 HA HIS 15 HA HIS 15 51.602 11.983 0.312
108 HB2 HIS 15 HB2 HIS 15 51.813 9.865 -1.041
109 HB3 HIS 15 HB1 HIS 15 50.106 10.059 -1.510
110 HD1 HIS 15 HD1 HIS 15 53.449 11.932 -1.686
111 HD2 HIS 15 HD2 HIS 15 49.696 11.874 -3.586
112 HE1 HIS 15 HE1 HIS 15 53.596 13.485 -3.711
113 H ALA 16 HN ALA 16 48.470 11.059 1.213
114 HA ALA 16 HA ALA 16 47.427 13.713 0.510
115 HB1 ALA 16 HB1 ALA 16 47.108 12.409 -1.600
116 HB2 ALA 16 HB2 ALA 16 45.581 12.944 -0.858
117 HB3 ALA 16 HB3 ALA 16 46.110 11.253 -0.690
118 H GLY 17 HN GLY 17 47.907 12.630 2.976
119 HA2 GLY 17 HA1 GLY 17 45.517 11.308 4.016
120 HA3 GLY 17 HA2 GLY 17 46.892 11.926 4.951
121 H LYS 18 HN LYS 18 44.400 13.357 2.789
122 HA LYS 18 HA LYS 18 43.074 15.236 3.099
123 HB2 LYS 18 HB2 LYS 18 43.177 14.415 6.028
124 HB3 LYS 18 HB1 LYS 18 41.942 15.433 5.250
125 HG2 LYS 18 HG2 LYS 18 41.250 13.570 3.817
126 HG3 LYS 18 HG1 LYS 18 42.548 12.545 4.476
127 HD2 LYS 18 HD2 LYS 18 41.533 12.797 6.757
128 HD3 LYS 18 HD1 LYS 18 40.188 13.702 6.021
129 HE2 LYS 18 HE2 LYS 18 40.982 10.815 5.459
130 HE3 LYS 18 HE1 LYS 18 39.495 11.384 6.254
131 HZ1 LYS 18 HZ1 LYS 18 38.692 11.213 4.170
132 HZ2 LYS 18 HZ2 LYS 18 40.213 11.369 3.430
133 HZ3 LYS 18 HZ3 LYS 18 39.385 12.748 3.974
134 H ALA 19 HN ALA 19 46.157 15.225 3.774
135 HA ALA 19 HA ALA 19 46.268 18.091 4.263
136 HB1 ALA 19 HB1 ALA 19 47.296 16.243 6.445
137 HB2 ALA 19 HB2 ALA 19 45.869 17.300 6.570
138 HB3 ALA 19 HB3 ALA 19 47.491 18.010 6.385
139 H ALA 20 HN ALA 20 47.496 15.092 3.318
140 HA ALA 20 HA ALA 20 49.478 14.453 2.300
141 HB1 ALA 20 HB1 ALA 20 49.880 17.416 1.792
142 HB2 ALA 20 HB2 ALA 20 48.767 16.395 0.848
143 HB3 ALA 20 HB3 ALA 20 50.514 16.051 0.842
144 H LEU 21 HN LEU 21 50.808 13.636 3.813
145 HA LEU 21 HA LEU 21 52.583 13.542 5.296
146 HB2 LEU 21 HB2 LEU 21 53.399 16.291 4.292
147 HB3 LEU 21 HB1 LEU 21 54.436 15.005 4.948
148 HG LEU 21 HG LEU 21 52.850 14.849 2.342
149 HD11 LEU 21 HD11 LEU 21 54.791 16.413 2.279
150 HD12 LEU 21 HD12 LEU 21 55.057 14.976 1.263
151 HD13 LEU 21 HD13 LEU 21 55.847 15.100 2.853
152 HD21 LEU 21 HD21 LEU 21 54.404 12.787 2.058
153 HD22 LEU 21 HD22 LEU 21 53.040 12.621 3.185
154 HD23 LEU 21 HD23 LEU 21 54.681 12.908 3.812
155 H THR 22 HN THR 22 52.170 17.105 5.323
156 HA THR 22 HA THR 22 50.668 17.122 7.791
157 HB THR 22 HB THR 22 52.729 16.406 8.862
158 HG1 THR 22 HG1 THR 22 52.902 19.161 9.253
159 HG21 THR 22 HG21 THR 22 54.235 17.042 6.966
160 HG22 THR 22 HG22 THR 22 54.846 17.590 8.545
161 HG23 THR 22 HG23 THR 22 54.065 18.748 7.442
162 H HIS 23 HN HIS 23 50.862 18.344 5.078
163 HA HIS 23 HA HIS 23 51.567 21.168 5.601
164 HB2 HIS 23 HB2 HIS 23 50.252 19.854 3.188
165 HB3 HIS 23 HB1 HIS 23 50.899 21.511 3.264
166 HD1 HIS 23 HD1 HIS 23 53.404 20.425 5.140
167 HD2 HIS 23 HD2 HIS 23 52.332 19.245 1.247
168 HE1 HIS 23 HE1 HIS 23 55.480 19.408 4.053
169 H TYR 24 HN TYR 24 50.126 22.915 5.571
170 HA TYR 24 HA TYR 24 47.272 22.559 5.303
171 HB2 TYR 24 HB2 TYR 24 47.684 21.420 7.524
172 HB3 TYR 24 HB1 TYR 24 48.249 22.986 8.152
173 HD1 TYR 24 HD1 TYR 24 45.325 21.095 6.867
174 HD2 TYR 24 HD2 TYR 24 46.697 24.836 8.525
175 HE1 TYR 24 HE1 TYR 24 42.964 21.781 7.271
176 HE2 TYR 24 HE2 TYR 24 44.336 25.523 8.930
177 HH TYR 24 HH TYR 24 41.610 23.414 7.978
178 H LEU 25 HN LEU 25 50.101 24.330 5.588
179 HA LEU 25 HA LEU 25 49.200 26.852 6.539
180 HB2 LEU 25 HB2 LEU 25 51.556 26.445 6.228
181 HB3 LEU 25 HB1 LEU 25 51.330 26.085 4.503
182 HG LEU 25 HG LEU 25 50.782 28.396 4.012
183 HD11 LEU 25 HD11 LEU 25 50.702 28.683 7.042
184 HD12 LEU 25 HD12 LEU 25 49.437 29.094 5.858
185 HD13 LEU 25 HD13 LEU 25 50.904 30.092 5.975
186 HD21 LEU 25 HD21 LEU 25 52.867 29.517 4.703
187 HD22 LEU 25 HD22 LEU 25 53.191 27.823 4.260
188 HD23 LEU 25 HD23 LEU 25 53.117 28.297 5.974
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 60.059 3.143 -10.893
2 H2 GLY 1 HT2 GLY 1 60.552 4.651 -11.500
3 H3 GLY 1 HT3 GLY 1 59.836 4.541 -9.962
4 HA2 GLY 1 HA1 GLY 1 62.533 4.011 -10.817
5 HA3 GLY 1 HA2 GLY 1 61.919 4.630 -9.271
6 H TRP 2 HN TRP 2 62.316 3.338 -7.623
7 HA TRP 2 HA TRP 2 63.139 0.605 -7.958
8 HB2 TRP 2 HB2 TRP 2 62.078 1.974 -5.455
9 HB3 TRP 2 HB1 TRP 2 63.069 0.496 -5.520
10 HD1 TRP 2 HD1 TRP 2 63.260 4.278 -6.119
11 HE1 TRP 2 HE1 TRP 2 65.750 5.030 -6.133
12 HE3 TRP 2 HE3 TRP 2 65.495 -0.324 -5.917
13 HZ2 TRP 2 HZ2 TRP 2 68.340 3.776 -6.065
14 HZ3 TRP 2 HZ3 TRP 2 67.978 -0.522 -5.893
15 HH2 TRP 2 HH2 TRP 2 69.401 1.521 -5.966
16 H GLY 3 HN GLY 3 60.018 2.151 -7.467
17 HA2 GLY 3 HA1 GLY 3 58.517 -0.056 -8.348
18 HA3 GLY 3 HA2 GLY 3 58.616 -0.205 -6.583
19 H SER 4 HN SER 4 58.837 2.870 -6.524
20 HA SER 4 HA SER 4 57.348 4.606 -6.143
21 HB2 SER 4 HB2 SER 4 55.603 3.357 -8.292
22 HB3 SER 4 HB1 SER 4 55.710 5.068 -7.823
23 HG SER 4 HG SER 4 57.596 5.236 -8.846
24 H PHE 5 HN PHE 5 54.681 4.935 -6.059
25 HA PHE 5 HA PHE 5 53.384 2.637 -4.746
26 HB2 PHE 5 HB2 PHE 5 54.035 5.143 -3.142
27 HB3 PHE 5 HB1 PHE 5 53.059 3.762 -2.589
28 HD1 PHE 5 HD1 PHE 5 54.107 1.549 -2.186
29 HD2 PHE 5 HD2 PHE 5 56.461 4.990 -3.307
30 HE1 PHE 5 HE1 PHE 5 56.180 0.364 -1.476
31 HE2 PHE 5 HE2 PHE 5 58.534 3.804 -2.595
32 HZ PHE 5 HZ PHE 5 58.396 1.477 -1.713
33 H PHE 6 HN PHE 6 52.903 4.309 -7.067
34 HA PHE 6 HA PHE 6 50.857 6.261 -6.395
35 HB2 PHE 6 HB2 PHE 6 52.195 6.333 -8.491
36 HB3 PHE 6 HB1 PHE 6 51.398 4.835 -9.031
37 HD1 PHE 6 HD1 PHE 6 49.346 4.973 -10.220
38 HD2 PHE 6 HD2 PHE 6 50.629 8.313 -7.803
39 HE1 PHE 6 HE1 PHE 6 47.434 6.323 -11.070
40 HE2 PHE 6 HE2 PHE 6 48.715 9.662 -8.655
41 HZ PHE 6 HZ PHE 6 47.163 8.692 -10.344
42 H LYS 7 HN LYS 7 50.790 2.939 -7.760
43 HA LYS 7 HA LYS 7 47.947 2.744 -7.901
44 HB2 LYS 7 HB2 LYS 7 50.055 0.586 -7.486
45 HB3 LYS 7 HB1 LYS 7 48.353 0.276 -7.911
46 HG2 LYS 7 HG2 LYS 7 48.735 1.839 -9.930
47 HG3 LYS 7 HG1 LYS 7 50.472 1.716 -9.557
48 HD2 LYS 7 HD2 LYS 7 48.623 -0.654 -10.084
49 HD3 LYS 7 HD1 LYS 7 49.746 0.047 -11.272
50 HE2 LYS 7 HE2 LYS 7 51.596 -0.374 -9.499
51 HE3 LYS 7 HE1 LYS 7 50.399 -1.416 -8.691
52 HZ1 LYS 7 HZ1 LYS 7 51.357 -2.918 -10.078
53 HZ2 LYS 7 HZ2 LYS 7 51.753 -1.770 -11.266
54 HZ3 LYS 7 HZ3 LYS 7 50.159 -2.340 -11.130
55 H LYS 8 HN LYS 8 49.328 0.301 -5.853
56 HA LYS 8 HA LYS 8 47.271 0.585 -3.892
57 HB2 LYS 8 HB2 LYS 8 48.682 -0.962 -2.524
58 HB3 LYS 8 HB1 LYS 8 48.444 -1.527 -4.194
59 HG2 LYS 8 HG2 LYS 8 50.669 -0.421 -4.772
60 HG3 LYS 8 HG1 LYS 8 50.909 -0.171 -3.026
61 HD2 LYS 8 HD2 LYS 8 50.676 -2.611 -2.645
62 HD3 LYS 8 HD1 LYS 8 50.458 -2.859 -4.395
63 HE2 LYS 8 HE2 LYS 8 52.799 -3.296 -3.758
64 HE3 LYS 8 HE1 LYS 8 52.701 -1.857 -4.802
65 HZ1 LYS 8 HZ1 LYS 8 54.060 -1.801 -2.592
66 HZ2 LYS 8 HZ2 LYS 8 52.542 -1.523 -1.881
67 HZ3 LYS 8 HZ3 LYS 8 53.139 -0.456 -3.061
68 H ALA 9 HN ALA 9 47.041 1.803 -2.134
69 HA ALA 9 HA ALA 9 49.251 2.821 -0.592
70 HB1 ALA 9 HB1 ALA 9 49.618 4.317 -2.464
71 HB2 ALA 9 HB2 ALA 9 48.916 5.244 -1.116
72 HB3 ALA 9 HB3 ALA 9 47.896 4.764 -2.494
73 H ALA 10 HN ALA 10 45.883 2.935 -1.605
74 HA ALA 10 HA ALA 10 43.941 3.392 -0.417
75 HB1 ALA 10 HB1 ALA 10 44.751 1.339 0.728
76 HB2 ALA 10 HB2 ALA 10 43.815 2.405 1.803
77 HB3 ALA 10 HB3 ALA 10 45.591 2.363 1.916
78 H HIS 11 HN HIS 11 43.245 4.298 2.001
79 HA HIS 11 HA HIS 11 44.040 7.089 1.858
80 HB2 HIS 11 HB2 HIS 11 42.533 5.749 4.131
81 HB3 HIS 11 HB1 HIS 11 42.446 7.446 3.597
82 HD1 HIS 11 HD1 HIS 11 40.970 8.018 1.577
83 HD2 HIS 11 HD2 HIS 11 41.254 3.886 2.299
84 HE1 HIS 11 HE1 HIS 11 39.200 6.870 0.135
85 H ALA 12 HN ALA 12 43.924 7.507 4.789
86 HA ALA 12 HA ALA 12 45.476 7.858 6.477
87 HB1 ALA 12 HB1 ALA 12 46.584 5.144 5.698
88 HB2 ALA 12 HB2 ALA 12 45.088 5.358 6.638
89 HB3 ALA 12 HB3 ALA 12 46.642 5.932 7.292
90 H GLY 13 HN GLY 13 46.800 9.500 5.960
91 HA2 GLY 13 HA1 GLY 13 48.831 10.484 5.403
92 HA3 GLY 13 HA2 GLY 13 49.495 8.868 5.087
93 H LYS 14 HN LYS 14 46.544 9.816 3.512
94 HA LYS 14 HA LYS 14 47.792 10.959 1.148
95 HB2 LYS 14 HB2 LYS 14 48.479 8.564 0.914
96 HB3 LYS 14 HB1 LYS 14 46.760 8.104 0.922
97 HG2 LYS 14 HG2 LYS 14 46.340 9.395 -1.094
98 HG3 LYS 14 HG1 LYS 14 47.988 10.069 -1.058
99 HD2 LYS 14 HD2 LYS 14 48.972 7.913 -1.504
100 HD3 LYS 14 HD1 LYS 14 47.416 7.084 -1.255
101 HE2 LYS 14 HE2 LYS 14 47.848 7.284 -3.657
102 HE3 LYS 14 HE1 LYS 14 46.481 8.335 -3.216
103 HZ1 LYS 14 HZ1 LYS 14 47.701 10.207 -3.538
104 HZ2 LYS 14 HZ2 LYS 14 48.505 9.202 -4.647
105 HZ3 LYS 14 HZ3 LYS 14 49.175 9.484 -3.111
106 H HIS 15 HN HIS 15 46.303 12.358 0.501
107 HA HIS 15 HA HIS 15 44.230 13.293 0.059
108 HB2 HIS 15 HB2 HIS 15 44.165 11.360 -1.543
109 HB3 HIS 15 HB1 HIS 15 43.313 10.414 -0.300
110 HD1 HIS 15 HD1 HIS 15 42.411 13.972 -0.151
111 HD2 HIS 15 HD2 HIS 15 41.115 10.618 -2.334
112 HE1 HIS 15 HE1 HIS 15 40.113 14.532 -1.115
113 H ALA 16 HN ALA 16 44.912 11.720 2.786
114 HA ALA 16 HA ALA 16 42.610 12.780 4.186
115 HB1 ALA 16 HB1 ALA 16 41.652 10.686 3.147
116 HB2 ALA 16 HB2 ALA 16 41.571 10.746 4.925
117 HB3 ALA 16 HB3 ALA 16 42.812 9.753 4.123
118 H GLY 17 HN GLY 17 45.573 12.762 4.171
119 HA2 GLY 17 HA1 GLY 17 46.332 11.294 6.612
120 HA3 GLY 17 HA2 GLY 17 47.366 12.343 5.624
121 H LYS 18 HN LYS 18 44.999 12.190 8.221
122 HA LYS 18 HA LYS 18 44.531 13.670 9.932
123 HB2 LYS 18 HB2 LYS 18 47.075 13.581 10.108
124 HB3 LYS 18 HB1 LYS 18 47.108 15.107 9.195
125 HG2 LYS 18 HG2 LYS 18 45.746 16.210 10.907
126 HG3 LYS 18 HG1 LYS 18 45.578 14.679 11.799
127 HD2 LYS 18 HD2 LYS 18 48.020 14.596 12.149
128 HD3 LYS 18 HD1 LYS 18 48.212 16.111 11.234
129 HE2 LYS 18 HE2 LYS 18 46.852 17.318 12.886
130 HE3 LYS 18 HE1 LYS 18 46.559 15.806 13.780
131 HZ1 LYS 18 HZ1 LYS 18 48.405 17.273 14.634
132 HZ2 LYS 18 HZ2 LYS 18 49.289 16.847 13.246
133 HZ3 LYS 18 HZ3 LYS 18 48.820 15.651 14.359
134 H ALA 19 HN ALA 19 46.306 15.955 7.809
135 HA ALA 19 HA ALA 19 43.707 17.352 7.235
136 HB1 ALA 19 HB1 ALA 19 46.259 18.597 8.320
137 HB2 ALA 19 HB2 ALA 19 44.660 18.555 9.102
138 HB3 ALA 19 HB3 ALA 19 44.906 19.522 7.627
139 H ALA 20 HN ALA 20 44.708 15.702 5.396
140 HA ALA 20 HA ALA 20 45.479 15.620 3.214
141 HB1 ALA 20 HB1 ALA 20 43.886 17.591 3.090
142 HB2 ALA 20 HB2 ALA 20 45.163 17.556 1.850
143 HB3 ALA 20 HB3 ALA 20 45.309 18.647 3.249
144 H LEU 21 HN LEU 21 47.536 14.838 3.861
145 HA LEU 21 HA LEU 21 49.852 14.916 4.042
146 HB2 LEU 21 HB2 LEU 21 49.700 17.299 2.165
147 HB3 LEU 21 HB1 LEU 21 50.978 16.065 2.286
148 HG LEU 21 HG LEU 21 48.113 15.617 1.337
149 HD11 LEU 21 HD11 LEU 21 49.628 16.786 -0.268
150 HD12 LEU 21 HD12 LEU 21 49.177 15.159 -0.832
151 HD13 LEU 21 HD13 LEU 21 50.786 15.442 -0.125
152 HD21 LEU 21 HD21 LEU 21 49.141 13.305 0.731
153 HD22 LEU 21 HD22 LEU 21 48.749 13.599 2.440
154 HD23 LEU 21 HD23 LEU 21 50.435 13.721 1.880
155 H THR 22 HN THR 22 48.341 16.448 6.002
156 HA THR 22 HA THR 22 48.719 18.032 7.655
157 HB THR 22 HB THR 22 51.651 17.796 6.856
158 HG1 THR 22 HG1 THR 22 50.568 15.766 7.240
159 HG21 THR 22 HG21 THR 22 50.223 18.503 9.454
160 HG22 THR 22 HG22 THR 22 51.176 19.607 8.432
161 HG23 THR 22 HG23 THR 22 51.979 18.270 9.291
162 H HIS 23 HN HIS 23 47.695 19.822 6.815
163 HA HIS 23 HA HIS 23 47.542 21.974 5.972
164 HB2 HIS 23 HB2 HIS 23 50.561 22.168 6.230
165 HB3 HIS 23 HB1 HIS 23 49.344 23.458 6.402
166 HD1 HIS 23 HD1 HIS 23 51.527 22.385 8.605
167 HD2 HIS 23 HD2 HIS 23 47.377 21.702 8.537
168 HE1 HIS 23 HE1 HIS 23 50.810 21.818 10.991
169 H TYR 24 HN TYR 24 49.834 23.304 4.524
170 HA TYR 24 HA TYR 24 50.329 21.704 2.146
171 HB2 TYR 24 HB2 TYR 24 48.968 23.017 0.574
172 HB3 TYR 24 HB1 TYR 24 47.933 22.221 1.783
173 HD1 TYR 24 HD1 TYR 24 47.239 23.575 3.867
174 HD2 TYR 24 HD2 TYR 24 48.911 25.389 0.324
175 HE1 TYR 24 HE1 TYR 24 46.325 25.784 4.565
176 HE2 TYR 24 HE2 TYR 24 47.995 27.598 1.023
177 HH TYR 24 HH TYR 24 46.882 28.723 2.621
178 H LEU 25 HN LEU 25 51.877 23.203 4.019
179 HA LEU 25 HA LEU 25 53.560 24.799 4.057
180 HB2 LEU 25 HB2 LEU 25 53.411 24.829 1.025
181 HB3 LEU 25 HB1 LEU 25 54.832 25.063 2.070
182 HG LEU 25 HG LEU 25 53.254 22.478 1.698
183 HD11 LEU 25 HD11 LEU 25 56.149 23.166 1.026
184 HD12 LEU 25 HD12 LEU 25 54.818 23.187 -0.156
185 HD13 LEU 25 HD13 LEU 25 55.284 21.661 0.633
186 HD21 LEU 25 HD21 LEU 25 55.531 23.252 3.571
187 HD22 LEU 25 HD22 LEU 25 55.226 21.561 3.108
188 HD23 LEU 25 HD23 LEU 25 53.979 22.482 3.978
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 62.067 -2.660 -5.132
2 H2 GLY 1 HT2 GLY 1 61.465 -4.223 -5.421
3 H3 GLY 1 HT3 GLY 1 61.609 -3.644 -3.830
4 HA2 GLY 1 HA1 GLY 1 59.332 -3.667 -4.746
5 HA3 GLY 1 HA2 GLY 1 59.905 -2.123 -4.084
6 H TRP 2 HN TRP 2 59.848 -3.983 -7.153
7 HA TRP 2 HA TRP 2 60.079 -1.570 -8.768
8 HB2 TRP 2 HB2 TRP 2 60.846 -3.811 -9.532
9 HB3 TRP 2 HB1 TRP 2 59.155 -4.364 -9.552
10 HD1 TRP 2 HD1 TRP 2 57.486 -3.063 -11.275
11 HE1 TRP 2 HE1 TRP 2 57.948 -1.982 -13.594
12 HE3 TRP 2 HE3 TRP 2 62.574 -2.600 -10.951
13 HZ2 TRP 2 HZ2 TRP 2 60.232 -1.053 -15.079
14 HZ3 TRP 2 HZ3 TRP 2 63.875 -1.615 -12.831
15 HH2 TRP 2 HH2 TRP 2 62.709 -0.841 -14.893
16 H GLY 3 HN GLY 3 57.431 -3.998 -8.575
17 HA2 GLY 3 HA1 GLY 3 55.483 -2.401 -9.840
18 HA3 GLY 3 HA2 GLY 3 55.141 -3.721 -8.704
19 H SER 4 HN SER 4 56.791 -2.168 -6.632
20 HA SER 4 HA SER 4 54.516 -0.860 -5.410
21 HB2 SER 4 HB2 SER 4 56.052 -0.296 -3.625
22 HB3 SER 4 HB1 SER 4 56.420 -1.947 -4.172
23 HG SER 4 HG SER 4 57.860 -0.459 -5.701
24 H PHE 5 HN PHE 5 53.979 1.263 -5.209
25 HA PHE 5 HA PHE 5 53.849 3.483 -5.863
26 HB2 PHE 5 HB2 PHE 5 55.984 3.473 -4.482
27 HB3 PHE 5 HB1 PHE 5 56.884 3.372 -6.013
28 HD1 PHE 5 HD1 PHE 5 57.129 5.297 -7.448
29 HD2 PHE 5 HD2 PHE 5 54.491 5.450 -4.035
30 HE1 PHE 5 HE1 PHE 5 56.902 7.762 -7.734
31 HE2 PHE 5 HE2 PHE 5 54.265 7.915 -4.322
32 HZ PHE 5 HZ PHE 5 55.404 9.056 -6.222
33 H PHE 6 HN PHE 6 52.839 3.131 -7.857
34 HA PHE 6 HA PHE 6 54.408 4.038 -10.145
35 HB2 PHE 6 HB2 PHE 6 54.992 1.592 -10.053
36 HB3 PHE 6 HB1 PHE 6 53.264 1.220 -10.268
37 HD1 PHE 6 HD1 PHE 6 56.274 2.726 -11.852
38 HD2 PHE 6 HD2 PHE 6 52.154 1.567 -12.405
39 HE1 PHE 6 HE1 PHE 6 56.522 3.023 -14.314
40 HE2 PHE 6 HE2 PHE 6 52.402 1.862 -14.867
41 HZ PHE 6 HZ PHE 6 54.601 2.535 -15.825
42 H LYS 7 HN LYS 7 51.512 3.214 -8.492
43 HA LYS 7 HA LYS 7 49.944 4.975 -10.159
44 HB2 LYS 7 HB2 LYS 7 48.334 3.247 -11.002
45 HB3 LYS 7 HB1 LYS 7 49.947 3.134 -11.746
46 HG2 LYS 7 HG2 LYS 7 50.553 1.355 -10.098
47 HG3 LYS 7 HG1 LYS 7 48.898 1.432 -9.443
48 HD2 LYS 7 HD2 LYS 7 47.995 0.853 -11.687
49 HD3 LYS 7 HD1 LYS 7 49.656 0.732 -12.313
50 HE2 LYS 7 HE2 LYS 7 50.103 -1.004 -10.507
51 HE3 LYS 7 HE1 LYS 7 48.357 -0.990 -10.164
52 HZ1 LYS 7 HZ1 LYS 7 48.525 -1.229 -12.886
53 HZ2 LYS 7 HZ2 LYS 7 48.186 -2.480 -11.787
54 HZ3 LYS 7 HZ3 LYS 7 49.779 -2.224 -12.323
55 H LYS 8 HN LYS 8 50.291 2.558 -7.657
56 HA LYS 8 HA LYS 8 47.619 2.840 -6.563
57 HB2 LYS 8 HB2 LYS 8 50.188 1.941 -5.197
58 HB3 LYS 8 HB1 LYS 8 48.527 1.654 -4.624
59 HG2 LYS 8 HG2 LYS 8 48.029 0.337 -6.644
60 HG3 LYS 8 HG1 LYS 8 49.661 0.664 -7.277
61 HD2 LYS 8 HD2 LYS 8 50.639 -0.468 -5.279
62 HD3 LYS 8 HD1 LYS 8 48.994 -0.850 -4.715
63 HE2 LYS 8 HE2 LYS 8 48.565 -2.236 -6.640
64 HE3 LYS 8 HE1 LYS 8 50.053 -1.685 -7.445
65 HZ1 LYS 8 HZ1 LYS 8 50.364 -2.865 -4.796
66 HZ2 LYS 8 HZ2 LYS 8 51.336 -3.020 -6.181
67 HZ3 LYS 8 HZ3 LYS 8 49.906 -3.928 -6.036
68 H ALA 9 HN ALA 9 46.782 4.491 -5.489
69 HA ALA 9 HA ALA 9 48.417 6.779 -4.767
70 HB1 ALA 9 HB1 ALA 9 45.575 6.159 -3.905
71 HB2 ALA 9 HB2 ALA 9 46.005 6.852 -5.487
72 HB3 ALA 9 HB3 ALA 9 46.358 7.754 -3.993
73 H ALA 10 HN ALA 10 49.974 6.191 -3.279
74 HA ALA 10 HA ALA 10 49.298 4.710 -0.866
75 HB1 ALA 10 HB1 ALA 10 51.709 6.363 -1.676
76 HB2 ALA 10 HB2 ALA 10 51.547 4.591 -1.705
77 HB3 ALA 10 HB3 ALA 10 51.599 5.456 -0.150
78 H HIS 11 HN HIS 11 48.779 5.412 1.139
79 HA HIS 11 HA HIS 11 47.669 8.063 1.399
80 HB2 HIS 11 HB2 HIS 11 48.427 6.135 3.627
81 HB3 HIS 11 HB1 HIS 11 47.224 7.445 3.694
82 HD1 HIS 11 HD1 HIS 11 45.294 7.183 1.635
83 HD2 HIS 11 HD2 HIS 11 47.269 3.719 2.970
84 HE1 HIS 11 HE1 HIS 11 43.849 5.181 0.978
85 H ALA 12 HN ALA 12 50.560 6.507 2.869
86 HA ALA 12 HA ALA 12 52.438 7.464 3.837
87 HB1 ALA 12 HB1 ALA 12 53.321 9.507 2.665
88 HB2 ALA 12 HB2 ALA 12 51.824 9.533 1.703
89 HB3 ALA 12 HB3 ALA 12 52.936 8.148 1.583
90 H GLY 13 HN GLY 13 51.330 10.693 3.047
91 HA2 GLY 13 HA1 GLY 13 49.987 11.181 5.565
92 HA3 GLY 13 HA2 GLY 13 51.670 11.741 5.614
93 H LYS 14 HN LYS 14 48.618 11.981 3.775
94 HA LYS 14 HA LYS 14 48.845 14.857 3.605
95 HB2 LYS 14 HB2 LYS 14 50.580 14.137 1.904
96 HB3 LYS 14 HB1 LYS 14 49.260 13.383 0.977
97 HG2 LYS 14 HG2 LYS 14 48.117 15.537 0.767
98 HG3 LYS 14 HG1 LYS 14 49.336 16.318 1.801
99 HD2 LYS 14 HD2 LYS 14 51.094 15.616 0.111
100 HD3 LYS 14 HD1 LYS 14 49.767 15.092 -0.954
101 HE2 LYS 14 HE2 LYS 14 50.396 17.359 -1.580
102 HE3 LYS 14 HE1 LYS 14 48.804 17.420 -0.787
103 HZ1 LYS 14 HZ1 LYS 14 51.244 17.733 0.836
104 HZ2 LYS 14 HZ2 LYS 14 49.682 18.348 1.101
105 HZ3 LYS 14 HZ3 LYS 14 50.685 19.049 -0.077
106 H HIS 15 HN HIS 15 47.596 11.967 1.875
107 HA HIS 15 HA HIS 15 45.087 13.284 1.203
108 HB2 HIS 15 HB2 HIS 15 45.831 10.332 1.223
109 HB3 HIS 15 HB1 HIS 15 44.395 11.043 0.448
110 HD1 HIS 15 HD1 HIS 15 47.195 13.349 0.147
111 HD2 HIS 15 HD2 HIS 15 45.808 10.004 -1.991
112 HE1 HIS 15 HE1 HIS 15 48.336 13.378 -2.139
113 H ALA 16 HN ALA 16 46.342 11.987 4.075
114 HA ALA 16 HA ALA 16 43.820 12.348 5.452
115 HB1 ALA 16 HB1 ALA 16 43.466 10.024 6.163
116 HB2 ALA 16 HB2 ALA 16 44.808 9.494 5.121
117 HB3 ALA 16 HB3 ALA 16 43.332 10.175 4.396
118 H GLY 17 HN GLY 17 46.548 13.268 5.633
119 HA2 GLY 17 HA1 GLY 17 47.761 11.868 7.920
120 HA3 GLY 17 HA2 GLY 17 48.350 13.344 7.128
121 H LYS 18 HN LYS 18 46.088 12.014 9.500
122 HA LYS 18 HA LYS 18 45.076 13.004 11.329
123 HB2 LYS 18 HB2 LYS 18 47.541 13.721 11.655
124 HB3 LYS 18 HB1 LYS 18 47.035 15.312 11.045
125 HG2 LYS 18 HG2 LYS 18 45.212 15.299 12.829
126 HG3 LYS 18 HG1 LYS 18 45.988 13.849 13.505
127 HD2 LYS 18 HD2 LYS 18 48.138 15.148 13.677
128 HD3 LYS 18 HD1 LYS 18 47.249 16.603 13.160
129 HE2 LYS 18 HE2 LYS 18 46.764 14.935 15.664
130 HE3 LYS 18 HE1 LYS 18 47.325 16.622 15.582
131 HZ1 LYS 18 HZ1 LYS 18 44.981 16.558 16.069
132 HZ2 LYS 18 HZ2 LYS 18 44.671 15.594 14.705
133 HZ3 LYS 18 HZ3 LYS 18 45.203 17.196 14.513
134 H ALA 19 HN ALA 19 43.729 13.370 9.023
135 HA ALA 19 HA ALA 19 42.162 14.724 7.980
136 HB1 ALA 19 HB1 ALA 19 40.858 16.134 9.403
137 HB2 ALA 19 HB2 ALA 19 42.203 16.327 10.554
138 HB3 ALA 19 HB3 ALA 19 41.388 14.753 10.390
139 H ALA 20 HN ALA 20 44.977 15.398 7.603
140 HA ALA 20 HA ALA 20 45.152 18.329 7.650
141 HB1 ALA 20 HB1 ALA 20 47.199 17.141 7.905
142 HB2 ALA 20 HB2 ALA 20 47.248 17.853 6.274
143 HB3 ALA 20 HB3 ALA 20 46.874 16.124 6.482
144 H LEU 21 HN LEU 21 45.202 15.889 5.007
145 HA LEU 21 HA LEU 21 44.429 16.013 2.829
146 HB2 LEU 21 HB2 LEU 21 42.622 18.286 3.716
147 HB3 LEU 21 HB1 LEU 21 42.366 17.122 2.395
148 HG LEU 21 HG LEU 21 42.429 16.469 5.377
149 HD11 LEU 21 HD11 LEU 21 40.043 16.019 5.095
150 HD12 LEU 21 HD12 LEU 21 40.150 16.376 3.354
151 HD13 LEU 21 HD13 LEU 21 40.392 17.676 4.546
152 HD21 LEU 21 HD21 LEU 21 42.190 14.751 2.872
153 HD22 LEU 21 HD22 LEU 21 41.551 14.208 4.442
154 HD23 LEU 21 HD23 LEU 21 43.287 14.543 4.259
155 H THR 22 HN THR 22 46.104 18.480 4.313
156 HA THR 22 HA THR 22 47.299 19.415 1.917
157 HB THR 22 HB THR 22 45.336 20.594 1.248
158 HG1 THR 22 HG1 THR 22 47.078 21.961 1.179
159 HG21 THR 22 HG21 THR 22 44.170 22.150 2.924
160 HG22 THR 22 HG22 THR 22 45.095 21.315 4.194
161 HG23 THR 22 HG23 THR 22 43.941 20.406 3.189
162 H HIS 23 HN HIS 23 46.810 19.302 5.233
163 HA HIS 23 HA HIS 23 48.019 20.118 7.036
164 HB2 HIS 23 HB2 HIS 23 49.887 19.101 5.692
165 HB3 HIS 23 HB1 HIS 23 50.175 20.702 4.970
166 HD1 HIS 23 HD1 HIS 23 51.518 22.381 6.299
167 HD2 HIS 23 HD2 HIS 23 50.320 19.070 8.600
168 HE1 HIS 23 HE1 HIS 23 52.683 22.568 8.565
169 H TYR 24 HN TYR 24 46.506 21.863 7.266
170 HA TYR 24 HA TYR 24 45.952 24.100 7.488
171 HB2 TYR 24 HB2 TYR 24 48.977 24.417 7.343
172 HB3 TYR 24 HB1 TYR 24 47.841 25.687 7.853
173 HD1 TYR 24 HD1 TYR 24 46.830 25.655 10.044
174 HD2 TYR 24 HD2 TYR 24 49.160 22.290 8.673
175 HE1 TYR 24 HE1 TYR 24 46.811 24.704 12.348
176 HE2 TYR 24 HE2 TYR 24 49.140 21.339 10.977
177 HH TYR 24 HH TYR 24 47.853 21.454 12.986
178 H LEU 25 HN LEU 25 45.923 26.249 6.434
179 HA LEU 25 HA LEU 25 45.761 25.890 3.551
180 HB2 LEU 25 HB2 LEU 25 44.136 27.307 4.624
181 HB3 LEU 25 HB1 LEU 25 45.403 28.288 5.390
182 HG LEU 25 HG LEU 25 46.078 29.223 3.258
183 HD11 LEU 25 HD11 LEU 25 45.957 27.384 1.741
184 HD12 LEU 25 HD12 LEU 25 44.722 28.524 1.161
185 HD13 LEU 25 HD13 LEU 25 44.238 27.091 2.103
186 HD21 LEU 25 HD21 LEU 25 44.009 30.137 4.372
187 HD22 LEU 25 HD22 LEU 25 43.031 29.099 3.305
188 HD23 LEU 25 HD23 LEU 25 44.039 30.392 2.610
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 62.785 -1.839 -8.317
2 H2 GLY 1 HT2 GLY 1 62.600 -0.335 -9.086
3 H3 GLY 1 HT3 GLY 1 63.244 -1.657 -9.938
4 HA2 GLY 1 HA1 GLY 1 61.000 -1.267 -10.588
5 HA3 GLY 1 HA2 GLY 1 61.183 -2.827 -9.764
6 H TRP 2 HN TRP 2 61.083 -2.463 -7.198
7 HA TRP 2 HA TRP 2 58.341 -1.675 -6.713
8 HB2 TRP 2 HB2 TRP 2 58.911 -2.132 -4.327
9 HB3 TRP 2 HB1 TRP 2 59.395 -3.456 -5.414
10 HD1 TRP 2 HD1 TRP 2 60.850 -0.545 -3.382
11 HE1 TRP 2 HE1 TRP 2 63.398 -0.920 -3.029
12 HE3 TRP 2 HE3 TRP 2 61.479 -4.658 -6.365
13 HZ2 TRP 2 HZ2 TRP 2 65.410 -2.771 -3.937
14 HZ3 TRP 2 HZ3 TRP 2 63.722 -5.712 -6.607
15 HH2 TRP 2 HH2 TRP 2 65.687 -4.773 -5.396
16 H GLY 3 HN GLY 3 61.215 0.097 -7.004
17 HA2 GLY 3 HA1 GLY 3 61.066 2.053 -5.007
18 HA3 GLY 3 HA2 GLY 3 61.640 2.347 -6.660
19 H SER 4 HN SER 4 58.924 1.510 -7.709
20 HA SER 4 HA SER 4 57.070 2.691 -8.461
21 HB2 SER 4 HB2 SER 4 55.584 3.511 -6.739
22 HB3 SER 4 HB1 SER 4 56.388 2.052 -6.121
23 HG SER 4 HG SER 4 56.404 3.806 -4.619
24 H PHE 5 HN PHE 5 55.890 5.060 -7.950
25 HA PHE 5 HA PHE 5 57.830 7.228 -7.715
26 HB2 PHE 5 HB2 PHE 5 58.323 6.387 -10.019
27 HB3 PHE 5 HB1 PHE 5 56.627 6.697 -10.461
28 HD1 PHE 5 HD1 PHE 5 59.894 8.220 -9.675
29 HD2 PHE 5 HD2 PHE 5 55.739 9.007 -10.543
30 HE1 PHE 5 HE1 PHE 5 60.439 10.612 -10.111
31 HE2 PHE 5 HE2 PHE 5 56.285 11.399 -10.980
32 HZ PHE 5 HZ PHE 5 58.634 12.201 -10.766
33 H PHE 6 HN PHE 6 54.772 6.505 -9.471
34 HA PHE 6 HA PHE 6 53.580 9.022 -8.624
35 HB2 PHE 6 HB2 PHE 6 52.241 6.536 -9.763
36 HB3 PHE 6 HB1 PHE 6 51.565 8.184 -9.715
37 HD1 PHE 6 HD1 PHE 6 52.402 9.941 -11.200
38 HD2 PHE 6 HD2 PHE 6 54.091 5.970 -11.287
39 HE1 PHE 6 HE1 PHE 6 53.540 10.473 -13.352
40 HE2 PHE 6 HE2 PHE 6 55.229 6.502 -13.439
41 HZ PHE 6 HZ PHE 6 55.013 8.776 -14.432
42 H LYS 7 HN LYS 7 52.412 9.492 -6.869
43 HA LYS 7 HA LYS 7 52.320 7.619 -4.675
44 HB2 LYS 7 HB2 LYS 7 52.416 10.059 -4.342
45 HB3 LYS 7 HB1 LYS 7 50.814 10.230 -5.100
46 HG2 LYS 7 HG2 LYS 7 49.732 9.035 -3.329
47 HG3 LYS 7 HG1 LYS 7 51.281 8.452 -2.674
48 HD2 LYS 7 HD2 LYS 7 50.312 10.342 -1.340
49 HD3 LYS 7 HD1 LYS 7 51.912 10.722 -2.018
50 HE2 LYS 7 HE2 LYS 7 49.380 11.459 -3.527
51 HE3 LYS 7 HE1 LYS 7 50.017 12.510 -2.239
52 HZ1 LYS 7 HZ1 LYS 7 50.943 12.193 -4.898
53 HZ2 LYS 7 HZ2 LYS 7 52.185 11.798 -3.808
54 HZ3 LYS 7 HZ3 LYS 7 51.427 13.317 -3.724
55 H LYS 8 HN LYS 8 50.979 5.986 -4.352
56 HA LYS 8 HA LYS 8 48.677 5.554 -6.055
57 HB2 LYS 8 HB2 LYS 8 50.109 3.781 -4.907
58 HB3 LYS 8 HB1 LYS 8 49.263 4.198 -3.397
59 HG2 LYS 8 HG2 LYS 8 47.069 3.804 -4.712
60 HG3 LYS 8 HG1 LYS 8 48.088 3.046 -5.959
61 HD2 LYS 8 HD2 LYS 8 48.009 2.216 -3.022
62 HD3 LYS 8 HD1 LYS 8 47.163 1.377 -4.342
63 HE2 LYS 8 HE2 LYS 8 49.483 1.186 -5.476
64 HE3 LYS 8 HE1 LYS 8 50.156 1.647 -3.894
65 HZ1 LYS 8 HZ1 LYS 8 49.525 -0.869 -4.637
66 HZ2 LYS 8 HZ2 LYS 8 48.137 -0.414 -3.770
67 HZ3 LYS 8 HZ3 LYS 8 49.666 -0.340 -3.032
68 H ALA 9 HN ALA 9 46.910 6.789 -5.944
69 HA ALA 9 HA ALA 9 46.129 8.343 -3.702
70 HB1 ALA 9 HB1 ALA 9 44.430 7.182 -5.937
71 HB2 ALA 9 HB2 ALA 9 45.285 8.744 -5.959
72 HB3 ALA 9 HB3 ALA 9 43.930 8.485 -4.833
73 H ALA 10 HN ALA 10 45.460 7.757 -1.756
74 HA ALA 10 HA ALA 10 43.350 5.808 -1.401
75 HB1 ALA 10 HB1 ALA 10 46.123 4.990 -0.467
76 HB2 ALA 10 HB2 ALA 10 45.236 4.258 -1.826
77 HB3 ALA 10 HB3 ALA 10 44.604 4.112 -0.169
78 H HIS 11 HN HIS 11 44.893 8.502 -0.605
79 HA HIS 11 HA HIS 11 44.983 8.334 2.298
80 HB2 HIS 11 HB2 HIS 11 45.089 10.871 2.102
81 HB3 HIS 11 HB1 HIS 11 46.357 9.983 1.226
82 HD1 HIS 11 HD1 HIS 11 42.840 11.385 0.515
83 HD2 HIS 11 HD2 HIS 11 46.486 10.659 -1.449
84 HE1 HIS 11 HE1 HIS 11 42.634 12.332 -1.848
85 H ALA 12 HN ALA 12 43.629 9.606 3.757
86 HA ALA 12 HA ALA 12 41.023 10.528 2.846
87 HB1 ALA 12 HB1 ALA 12 40.614 8.114 2.711
88 HB2 ALA 12 HB2 ALA 12 39.680 8.837 4.044
89 HB3 ALA 12 HB3 ALA 12 41.163 7.916 4.392
90 H GLY 13 HN GLY 13 43.206 11.609 4.324
91 HA2 GLY 13 HA1 GLY 13 43.626 12.754 6.289
92 HA3 GLY 13 HA2 GLY 13 41.862 12.875 6.436
93 H LYS 14 HN LYS 14 44.366 10.315 6.763
94 HA LYS 14 HA LYS 14 43.830 9.961 9.584
95 HB2 LYS 14 HB2 LYS 14 41.734 8.974 8.608
96 HB3 LYS 14 HB1 LYS 14 42.747 7.780 7.760
97 HG2 LYS 14 HG2 LYS 14 43.624 6.948 9.888
98 HG3 LYS 14 HG1 LYS 14 42.738 8.208 10.780
99 HD2 LYS 14 HD2 LYS 14 40.595 7.276 10.072
100 HD3 LYS 14 HD1 LYS 14 41.418 6.089 9.031
101 HE2 LYS 14 HE2 LYS 14 40.703 5.098 11.212
102 HE3 LYS 14 HE1 LYS 14 42.469 5.049 10.994
103 HZ1 LYS 14 HZ1 LYS 14 41.412 7.445 12.262
104 HZ2 LYS 14 HZ2 LYS 14 42.797 6.533 12.634
105 HZ3 LYS 14 HZ3 LYS 14 41.268 6.019 13.169
106 H HIS 15 HN HIS 15 44.659 8.024 6.666
107 HA HIS 15 HA HIS 15 46.648 6.435 7.931
108 HB2 HIS 15 HB2 HIS 15 46.537 7.368 5.034
109 HB3 HIS 15 HB1 HIS 15 47.462 5.980 5.657
110 HD1 HIS 15 HD1 HIS 15 46.190 3.821 6.237
111 HD2 HIS 15 HD2 HIS 15 43.713 6.947 4.907
112 HE1 HIS 15 HE1 HIS 15 43.864 2.836 5.848
113 H ALA 16 HN ALA 16 47.349 9.030 5.552
114 HA ALA 16 HA ALA 16 50.060 9.331 6.179
115 HB1 ALA 16 HB1 ALA 16 48.763 10.402 4.287
116 HB2 ALA 16 HB2 ALA 16 49.947 11.460 5.091
117 HB3 ALA 16 HB3 ALA 16 48.212 11.625 5.456
118 H GLY 17 HN GLY 17 47.364 11.358 7.442
119 HA2 GLY 17 HA1 GLY 17 47.196 12.544 9.419
120 HA3 GLY 17 HA2 GLY 17 48.310 11.356 10.124
121 H LYS 18 HN LYS 18 49.506 12.978 7.348
122 HA LYS 18 HA LYS 18 50.686 15.230 8.856
123 HB2 LYS 18 HB2 LYS 18 53.006 14.577 8.440
124 HB3 LYS 18 HB1 LYS 18 52.194 13.327 9.414
125 HG2 LYS 18 HG2 LYS 18 51.719 12.088 7.240
126 HG3 LYS 18 HG1 LYS 18 52.792 13.253 6.426
127 HD2 LYS 18 HD2 LYS 18 54.608 12.631 8.057
128 HD3 LYS 18 HD1 LYS 18 53.538 11.361 8.697
129 HE2 LYS 18 HE2 LYS 18 53.409 10.332 6.445
130 HE3 LYS 18 HE1 LYS 18 54.479 11.602 5.804
131 HZ1 LYS 18 HZ1 LYS 18 55.105 9.341 7.559
132 HZ2 LYS 18 HZ2 LYS 18 55.963 10.785 7.810
133 HZ3 LYS 18 HZ3 LYS 18 56.011 10.018 6.294
134 H ALA 19 HN ALA 19 49.116 14.228 6.300
135 HA ALA 19 HA ALA 19 50.088 16.405 4.615
136 HB1 ALA 19 HB1 ALA 19 50.606 14.947 2.653
137 HB2 ALA 19 HB2 ALA 19 50.506 13.530 3.726
138 HB3 ALA 19 HB3 ALA 19 51.762 14.763 3.992
139 H ALA 20 HN ALA 20 48.115 13.487 5.040
140 HA ALA 20 HA ALA 20 46.234 14.158 2.932
141 HB1 ALA 20 HB1 ALA 20 44.840 12.409 3.946
142 HB2 ALA 20 HB2 ALA 20 45.904 12.380 5.374
143 HB3 ALA 20 HB3 ALA 20 46.526 11.863 3.788
144 H LEU 21 HN LEU 21 45.841 14.123 6.510
145 HA LEU 21 HA LEU 21 43.427 15.653 6.474
146 HB2 LEU 21 HB2 LEU 21 44.676 14.241 8.374
147 HB3 LEU 21 HB1 LEU 21 45.351 15.824 8.808
148 HG LEU 21 HG LEU 21 42.397 15.075 8.631
149 HD11 LEU 21 HD11 LEU 21 42.394 15.438 11.026
150 HD12 LEU 21 HD12 LEU 21 44.064 16.054 10.987
151 HD13 LEU 21 HD13 LEU 21 43.741 14.336 10.651
152 HD21 LEU 21 HD21 LEU 21 43.805 17.752 8.988
153 HD22 LEU 21 HD22 LEU 21 42.158 17.476 9.609
154 HD23 LEU 21 HD23 LEU 21 42.488 17.329 7.869
155 H THR 22 HN THR 22 46.834 16.607 7.068
156 HA THR 22 HA THR 22 46.363 19.388 7.419
157 HB THR 22 HB THR 22 48.798 18.109 6.096
158 HG1 THR 22 HG1 THR 22 49.570 18.051 8.255
159 HG21 THR 22 HG21 THR 22 48.348 20.718 7.603
160 HG22 THR 22 HG22 THR 22 48.771 20.534 5.883
161 HG23 THR 22 HG23 THR 22 49.946 20.087 7.143
162 H HIS 23 HN HIS 23 46.341 17.370 4.575
163 HA HIS 23 HA HIS 23 45.902 17.845 2.356
164 HB2 HIS 23 HB2 HIS 23 43.945 19.044 3.414
165 HB3 HIS 23 HB1 HIS 23 44.900 20.544 3.342
166 HD1 HIS 23 HD1 HIS 23 45.163 21.716 1.092
167 HD2 HIS 23 HD2 HIS 23 43.192 18.009 0.823
168 HE1 HIS 23 HE1 HIS 23 44.250 21.508 -1.285
169 H TYR 24 HN TYR 24 47.104 18.464 0.657
170 HA TYR 24 HA TYR 24 48.487 21.002 0.549
171 HB2 TYR 24 HB2 TYR 24 49.866 19.721 2.268
172 HB3 TYR 24 HB1 TYR 24 50.291 18.588 0.963
173 HD1 TYR 24 HD1 TYR 24 51.894 19.187 -0.736
174 HD2 TYR 24 HD2 TYR 24 50.481 22.154 2.061
175 HE1 TYR 24 HE1 TYR 24 53.660 20.762 -1.514
176 HE2 TYR 24 HE2 TYR 24 52.247 23.729 1.283
177 HH TYR 24 HH TYR 24 54.424 23.608 0.321
178 H LEU 25 HN LEU 25 49.168 17.606 -0.444
179 HA LEU 25 HA LEU 25 49.430 16.698 -2.562
180 HB2 LEU 25 HB2 LEU 25 47.627 18.918 -3.583
181 HB3 LEU 25 HB1 LEU 25 47.809 17.264 -4.211
182 HG LEU 25 HG LEU 25 46.631 18.030 -1.502
183 HD11 LEU 25 HD11 LEU 25 44.518 17.203 -2.484
184 HD12 LEU 25 HD12 LEU 25 45.354 16.881 -4.023
185 HD13 LEU 25 HD13 LEU 25 45.173 18.554 -3.440
186 HD21 LEU 25 HD21 LEU 25 47.201 15.358 -2.851
187 HD22 LEU 25 HD22 LEU 25 45.973 15.522 -1.573
188 HD23 LEU 25 HD23 LEU 25 47.675 15.895 -1.221
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 58.580 0.324 -12.060
2 H2 GLY 1 HT2 GLY 1 58.717 0.845 -10.448
3 H3 GLY 1 HT3 GLY 1 60.110 0.617 -11.396
4 HA2 GLY 1 HA1 GLY 1 58.847 2.328 -12.918
5 HA3 GLY 1 HA2 GLY 1 58.223 2.799 -11.325
6 H TRP 2 HN TRP 2 59.260 4.661 -10.908
7 HA TRP 2 HA TRP 2 62.077 5.035 -11.579
8 HB2 TRP 2 HB2 TRP 2 60.252 6.668 -9.769
9 HB3 TRP 2 HB1 TRP 2 61.822 7.187 -10.429
10 HD1 TRP 2 HD1 TRP 2 61.927 7.892 -12.948
11 HE1 TRP 2 HE1 TRP 2 60.134 8.387 -14.765
12 HE3 TRP 2 HE3 TRP 2 57.829 5.922 -10.596
13 HZ2 TRP 2 HZ2 TRP 2 57.307 7.970 -15.119
14 HZ3 TRP 2 HZ3 TRP 2 55.595 5.982 -11.692
15 HH2 TRP 2 HH2 TRP 2 55.329 7.003 -13.950
16 H GLY 3 HN GLY 3 60.202 4.200 -8.682
17 HA2 GLY 3 HA1 GLY 3 62.443 2.919 -7.440
18 HA3 GLY 3 HA2 GLY 3 62.236 4.539 -6.745
19 H SER 4 HN SER 4 59.404 2.974 -7.965
20 HA SER 4 HA SER 4 58.708 1.570 -5.515
21 HB2 SER 4 HB2 SER 4 58.479 3.950 -4.763
22 HB3 SER 4 HB1 SER 4 57.279 4.205 -6.048
23 HG SER 4 HG SER 4 55.860 3.131 -4.907
24 H PHE 5 HN PHE 5 56.923 0.280 -5.773
25 HA PHE 5 HA PHE 5 54.980 0.744 -7.883
26 HB2 PHE 5 HB2 PHE 5 56.865 -0.002 -9.289
27 HB3 PHE 5 HB1 PHE 5 57.021 -1.477 -8.304
28 HD1 PHE 5 HD1 PHE 5 55.720 -3.397 -8.832
29 HD2 PHE 5 HD2 PHE 5 54.555 0.459 -10.388
30 HE1 PHE 5 HE1 PHE 5 53.958 -4.487 -10.217
31 HE2 PHE 5 HE2 PHE 5 52.795 -0.632 -11.772
32 HZ PHE 5 HZ PHE 5 52.438 -3.093 -11.615
33 H PHE 6 HN PHE 6 53.582 0.454 -6.109
34 HA PHE 6 HA PHE 6 52.906 -2.375 -5.634
35 HB2 PHE 6 HB2 PHE 6 53.749 -0.573 -3.326
36 HB3 PHE 6 HB1 PHE 6 53.003 -2.181 -3.166
37 HD1 PHE 6 HD1 PHE 6 54.192 -4.203 -4.148
38 HD2 PHE 6 HD2 PHE 6 56.097 -0.348 -3.772
39 HE1 PHE 6 HE1 PHE 6 56.424 -5.281 -4.401
40 HE2 PHE 6 HE2 PHE 6 58.329 -1.427 -4.024
41 HZ PHE 6 HZ PHE 6 58.494 -3.896 -4.308
42 H LYS 7 HN LYS 7 51.202 -2.092 -3.496
43 HA LYS 7 HA LYS 7 48.894 -0.965 -4.735
44 HB2 LYS 7 HB2 LYS 7 47.799 -1.325 -2.564
45 HB3 LYS 7 HB1 LYS 7 48.816 -2.722 -2.994
46 HG2 LYS 7 HG2 LYS 7 50.680 -1.579 -1.609
47 HG3 LYS 7 HG1 LYS 7 49.400 -0.513 -0.981
48 HD2 LYS 7 HD2 LYS 7 49.388 -3.562 -0.832
49 HD3 LYS 7 HD1 LYS 7 49.790 -2.468 0.512
50 HE2 LYS 7 HE2 LYS 7 47.464 -1.396 0.100
51 HE3 LYS 7 HE1 LYS 7 47.116 -2.840 -0.882
52 HZ1 LYS 7 HZ1 LYS 7 47.811 -4.177 1.093
53 HZ2 LYS 7 HZ2 LYS 7 46.388 -3.275 1.315
54 HZ3 LYS 7 HZ3 LYS 7 47.850 -2.741 1.997
55 H LYS 8 HN LYS 8 47.696 0.897 -4.348
56 HA LYS 8 HA LYS 8 49.185 3.290 -3.960
57 HB2 LYS 8 HB2 LYS 8 46.204 2.724 -3.752
58 HB3 LYS 8 HB1 LYS 8 46.907 4.359 -3.717
59 HG2 LYS 8 HG2 LYS 8 47.992 3.902 -5.928
60 HG3 LYS 8 HG1 LYS 8 47.172 2.321 -5.970
61 HD2 LYS 8 HD2 LYS 8 44.970 3.485 -5.800
62 HD3 LYS 8 HD1 LYS 8 45.817 5.050 -5.846
63 HE2 LYS 8 HE2 LYS 8 46.073 2.929 -8.017
64 HE3 LYS 8 HE1 LYS 8 44.921 4.283 -8.090
65 HZ1 LYS 8 HZ1 LYS 8 46.883 5.778 -7.757
66 HZ2 LYS 8 HZ2 LYS 8 46.868 4.945 -9.238
67 HZ3 LYS 8 HZ3 LYS 8 47.888 4.431 -7.981
68 H ALA 9 HN ALA 9 46.364 3.215 -1.954
69 HA ALA 9 HA ALA 9 47.673 2.631 0.556
70 HB1 ALA 9 HB1 ALA 9 47.138 5.574 0.049
71 HB2 ALA 9 HB2 ALA 9 48.752 4.832 -0.082
72 HB3 ALA 9 HB3 ALA 9 47.893 4.831 1.479
73 H ALA 10 HN ALA 10 45.103 4.213 -1.278
74 HA ALA 10 HA ALA 10 42.830 4.387 -0.871
75 HB1 ALA 10 HB1 ALA 10 41.751 2.518 0.187
76 HB2 ALA 10 HB2 ALA 10 43.247 2.065 1.038
77 HB3 ALA 10 HB3 ALA 10 43.141 1.890 -0.730
78 H HIS 11 HN HIS 11 42.840 6.400 0.120
79 HA HIS 11 HA HIS 11 42.520 7.909 1.851
80 HB2 HIS 11 HB2 HIS 11 41.448 5.560 3.450
81 HB3 HIS 11 HB1 HIS 11 40.984 7.275 3.562
82 HD1 HIS 11 HD1 HIS 11 38.887 5.009 2.955
83 HD2 HIS 11 HD2 HIS 11 40.791 7.398 0.065
84 HE1 HIS 11 HE1 HIS 11 37.430 4.972 0.857
85 H ALA 12 HN ALA 12 42.791 8.119 4.422
86 HA ALA 12 HA ALA 12 44.399 8.312 6.080
87 HB1 ALA 12 HB1 ALA 12 43.699 5.885 6.287
88 HB2 ALA 12 HB2 ALA 12 45.314 6.272 6.927
89 HB3 ALA 12 HB3 ALA 12 45.151 5.467 5.348
90 H GLY 13 HN GLY 13 45.914 9.764 5.528
91 HA2 GLY 13 HA1 GLY 13 48.057 10.465 4.968
92 HA3 GLY 13 HA2 GLY 13 48.500 8.777 4.647
93 H LYS 14 HN LYS 14 45.799 10.513 3.150
94 HA LYS 14 HA LYS 14 47.275 11.159 0.724
95 HB2 LYS 14 HB2 LYS 14 47.105 8.696 0.460
96 HB3 LYS 14 HB1 LYS 14 45.335 8.814 0.615
97 HG2 LYS 14 HG2 LYS 14 45.175 10.154 -1.397
98 HG3 LYS 14 HG1 LYS 14 46.946 10.313 -1.493
99 HD2 LYS 14 HD2 LYS 14 47.119 7.830 -1.764
100 HD3 LYS 14 HD1 LYS 14 45.341 7.736 -1.777
101 HE2 LYS 14 HE2 LYS 14 45.257 9.195 -3.762
102 HE3 LYS 14 HE1 LYS 14 47.029 9.352 -3.738
103 HZ1 LYS 14 HZ1 LYS 14 47.315 7.257 -4.511
104 HZ2 LYS 14 HZ2 LYS 14 45.780 7.535 -5.186
105 HZ3 LYS 14 HZ3 LYS 14 45.929 6.643 -3.747
106 H HIS 15 HN HIS 15 43.948 9.923 1.232
107 HA HIS 15 HA HIS 15 42.826 12.285 -0.066
108 HB2 HIS 15 HB2 HIS 15 41.818 9.995 -0.199
109 HB3 HIS 15 HB1 HIS 15 41.414 10.113 1.530
110 HD1 HIS 15 HD1 HIS 15 38.987 10.639 1.743
111 HD2 HIS 15 HD2 HIS 15 40.768 12.706 -1.457
112 HE1 HIS 15 HE1 HIS 15 37.210 12.182 0.749
113 H ALA 16 HN ALA 16 43.734 11.432 3.157
114 HA ALA 16 HA ALA 16 42.857 14.062 4.126
115 HB1 ALA 16 HB1 ALA 16 41.364 13.298 5.841
116 HB2 ALA 16 HB2 ALA 16 41.696 11.593 5.454
117 HB3 ALA 16 HB3 ALA 16 40.795 12.609 4.303
118 H GLY 17 HN GLY 17 45.388 13.268 3.872
119 HA2 GLY 17 HA1 GLY 17 46.377 11.861 6.218
120 HA3 GLY 17 HA2 GLY 17 47.342 12.733 5.011
121 H LYS 18 HN LYS 18 44.991 13.368 7.642
122 HA LYS 18 HA LYS 18 45.057 14.889 9.375
123 HB2 LYS 18 HB2 LYS 18 47.508 14.056 9.489
124 HB3 LYS 18 HB1 LYS 18 47.932 15.578 8.674
125 HG2 LYS 18 HG2 LYS 18 46.807 16.859 10.476
126 HG3 LYS 18 HG1 LYS 18 46.397 15.336 11.300
127 HD2 LYS 18 HD2 LYS 18 48.857 14.794 11.392
128 HD3 LYS 18 HD1 LYS 18 49.192 16.412 10.730
129 HE2 LYS 18 HE2 LYS 18 49.365 16.432 13.193
130 HE3 LYS 18 HE1 LYS 18 47.998 17.436 12.656
131 HZ1 LYS 18 HZ1 LYS 18 47.777 15.578 14.531
132 HZ2 LYS 18 HZ2 LYS 18 47.432 14.619 13.171
133 HZ3 LYS 18 HZ3 LYS 18 46.496 15.999 13.503
134 H ALA 19 HN ALA 19 45.862 15.753 6.140
135 HA ALA 19 HA ALA 19 44.425 18.240 6.353
136 HB1 ALA 19 HB1 ALA 19 46.400 19.085 7.456
137 HB2 ALA 19 HB2 ALA 19 46.354 19.750 5.804
138 HB3 ALA 19 HB3 ALA 19 47.454 18.404 6.194
139 H ALA 20 HN ALA 20 44.795 15.716 4.754
140 HA ALA 20 HA ALA 20 44.727 15.090 2.523
141 HB1 ALA 20 HB1 ALA 20 42.915 16.842 2.582
142 HB2 ALA 20 HB2 ALA 20 43.673 16.611 0.987
143 HB3 ALA 20 HB3 ALA 20 44.115 18.014 1.990
144 H LEU 21 HN LEU 21 47.267 15.440 3.429
145 HA LEU 21 HA LEU 21 49.434 15.841 2.725
146 HB2 LEU 21 HB2 LEU 21 48.270 14.538 0.735
147 HB3 LEU 21 HB1 LEU 21 48.436 16.078 -0.132
148 HG LEU 21 HG LEU 21 50.690 14.479 1.172
149 HD11 LEU 21 HD11 LEU 21 50.167 15.137 -1.758
150 HD12 LEU 21 HD12 LEU 21 49.711 13.598 -0.989
151 HD13 LEU 21 HD13 LEU 21 51.425 14.062 -1.104
152 HD21 LEU 21 HD21 LEU 21 52.099 16.241 -0.126
153 HD22 LEU 21 HD22 LEU 21 51.324 16.769 1.384
154 HD23 LEU 21 HD23 LEU 21 50.604 17.205 -0.185
155 H THR 22 HN THR 22 49.565 17.882 3.749
156 HA THR 22 HA THR 22 50.217 20.038 1.918
157 HB THR 22 HB THR 22 47.810 20.527 3.723
158 HG1 THR 22 HG1 THR 22 47.197 19.227 2.003
159 HG21 THR 22 HG21 THR 22 49.173 22.512 3.336
160 HG22 THR 22 HG22 THR 22 47.689 22.632 2.361
161 HG23 THR 22 HG23 THR 22 49.226 22.176 1.588
162 H HIS 23 HN HIS 23 49.028 19.481 5.267
163 HA HIS 23 HA HIS 23 49.913 20.174 7.297
164 HB2 HIS 23 HB2 HIS 23 51.637 18.492 6.501
165 HB3 HIS 23 HB1 HIS 23 52.603 19.866 5.912
166 HD1 HIS 23 HD1 HIS 23 53.997 21.142 7.592
167 HD2 HIS 23 HD2 HIS 23 51.259 18.516 9.406
168 HE1 HIS 23 HE1 HIS 23 54.495 21.134 10.098
169 H TYR 24 HN TYR 24 48.960 22.325 6.674
170 HA TYR 24 HA TYR 24 50.503 24.439 5.591
171 HB2 TYR 24 HB2 TYR 24 48.949 25.932 6.857
172 HB3 TYR 24 HB1 TYR 24 48.101 24.643 5.968
173 HD1 TYR 24 HD1 TYR 24 49.136 25.868 9.309
174 HD2 TYR 24 HD2 TYR 24 47.055 22.766 7.148
175 HE1 TYR 24 HE1 TYR 24 48.123 25.064 11.439
176 HE2 TYR 24 HE2 TYR 24 46.042 21.962 9.278
177 HH TYR 24 HH TYR 24 46.051 22.152 11.503
178 H LEU 25 HN LEU 25 51.955 25.890 6.380
179 HA LEU 25 HA LEU 25 53.437 25.096 8.757
180 HB2 LEU 25 HB2 LEU 25 53.707 27.756 7.319
181 HB3 LEU 25 HB1 LEU 25 54.956 26.820 8.174
182 HG LEU 25 HG LEU 25 53.582 26.065 5.557
183 HD11 LEU 25 HD11 LEU 25 55.841 26.324 4.615
184 HD12 LEU 25 HD12 LEU 25 56.485 26.730 6.224
185 HD13 LEU 25 HD13 LEU 25 55.341 27.831 5.418
186 HD21 LEU 25 HD21 LEU 25 53.953 24.006 6.728
187 HD22 LEU 25 HD22 LEU 25 55.520 24.561 7.365
188 HD23 LEU 25 HD23 LEU 25 55.344 24.178 5.636
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 59.799 6.871 -6.855
2 H2 GLY 1 HT2 GLY 1 58.906 5.533 -7.404
3 H3 GLY 1 HT3 GLY 1 58.460 7.107 -7.864
4 HA2 GLY 1 HA1 GLY 1 60.096 7.328 -9.358
5 HA3 GLY 1 HA2 GLY 1 61.142 6.190 -8.488
6 H TRP 2 HN TRP 2 60.987 5.936 -11.168
7 HA TRP 2 HA TRP 2 58.894 4.297 -12.181
8 HB2 TRP 2 HB2 TRP 2 61.844 4.350 -12.935
9 HB3 TRP 2 HB1 TRP 2 60.543 3.624 -13.908
10 HD1 TRP 2 HD1 TRP 2 61.749 7.029 -12.582
11 HE1 TRP 2 HE1 TRP 2 60.767 8.926 -14.064
12 HE3 TRP 2 HE3 TRP 2 58.678 4.218 -15.560
13 HZ2 TRP 2 HZ2 TRP 2 58.898 9.158 -16.243
14 HZ3 TRP 2 HZ3 TRP 2 57.304 5.297 -17.333
15 HH2 TRP 2 HH2 TRP 2 57.411 7.762 -17.677
16 H GLY 3 HN GLY 3 61.635 3.573 -10.118
17 HA2 GLY 3 HA1 GLY 3 61.685 0.732 -10.586
18 HA3 GLY 3 HA2 GLY 3 62.367 1.583 -9.186
19 H SER 4 HN SER 4 60.374 2.644 -7.836
20 HA SER 4 HA SER 4 59.207 0.501 -6.440
21 HB2 SER 4 HB2 SER 4 59.383 2.951 -5.737
22 HB3 SER 4 HB1 SER 4 57.926 3.242 -6.712
23 HG SER 4 HG SER 4 58.147 1.275 -4.663
24 H PHE 5 HN PHE 5 57.256 -0.558 -6.454
25 HA PHE 5 HA PHE 5 56.016 -0.939 -9.015
26 HB2 PHE 5 HB2 PHE 5 54.787 -1.602 -6.317
27 HB3 PHE 5 HB1 PHE 5 54.518 -2.418 -7.877
28 HD1 PHE 5 HD1 PHE 5 56.964 -1.830 -5.132
29 HD2 PHE 5 HD2 PHE 5 56.117 -4.021 -8.754
30 HE1 PHE 5 HE1 PHE 5 58.880 -3.351 -4.660
31 HE2 PHE 5 HE2 PHE 5 58.034 -5.542 -8.282
32 HZ PHE 5 HZ PHE 5 59.452 -5.168 -6.266
33 H PHE 6 HN PHE 6 54.375 0.194 -6.030
34 HA PHE 6 HA PHE 6 53.231 2.510 -7.443
35 HB2 PHE 6 HB2 PHE 6 51.491 0.144 -6.638
36 HB3 PHE 6 HB1 PHE 6 50.866 1.763 -7.032
37 HD1 PHE 6 HD1 PHE 6 51.417 2.768 -9.325
38 HD2 PHE 6 HD2 PHE 6 52.046 -1.398 -8.380
39 HE1 PHE 6 HE1 PHE 6 51.504 2.228 -11.755
40 HE2 PHE 6 HE2 PHE 6 52.132 -1.935 -10.811
41 HZ PHE 6 HZ PHE 6 51.833 -0.127 -12.498
42 H LYS 7 HN LYS 7 51.990 3.889 -6.041
43 HA LYS 7 HA LYS 7 53.121 4.170 -3.459
44 HB2 LYS 7 HB2 LYS 7 50.414 5.161 -4.437
45 HB3 LYS 7 HB1 LYS 7 51.334 5.804 -3.053
46 HG2 LYS 7 HG2 LYS 7 53.251 6.245 -4.693
47 HG3 LYS 7 HG1 LYS 7 52.098 5.890 -5.999
48 HD2 LYS 7 HD2 LYS 7 51.829 8.068 -3.880
49 HD3 LYS 7 HD1 LYS 7 52.173 8.310 -5.608
50 HE2 LYS 7 HE2 LYS 7 49.601 7.373 -4.297
51 HE3 LYS 7 HE1 LYS 7 49.843 8.704 -5.452
52 HZ1 LYS 7 HZ1 LYS 7 49.603 5.831 -5.937
53 HZ2 LYS 7 HZ2 LYS 7 50.696 6.684 -6.919
54 HZ3 LYS 7 HZ3 LYS 7 49.060 7.140 -6.867
55 H LYS 8 HN LYS 8 49.681 3.351 -4.116
56 HA LYS 8 HA LYS 8 48.185 2.104 -2.852
57 HB2 LYS 8 HB2 LYS 8 49.680 0.279 -3.662
58 HB3 LYS 8 HB1 LYS 8 50.660 0.460 -2.186
59 HG2 LYS 8 HG2 LYS 8 48.770 -0.139 -0.781
60 HG3 LYS 8 HG1 LYS 8 47.669 -0.130 -2.180
61 HD2 LYS 8 HD2 LYS 8 48.903 -2.007 -3.192
62 HD3 LYS 8 HD1 LYS 8 50.057 -1.998 -1.837
63 HE2 LYS 8 HE2 LYS 8 48.295 -2.581 -0.258
64 HE3 LYS 8 HE1 LYS 8 47.054 -2.424 -1.524
65 HZ1 LYS 8 HZ1 LYS 8 49.236 -4.219 -2.169
66 HZ2 LYS 8 HZ2 LYS 8 47.562 -4.420 -2.375
67 HZ3 LYS 8 HZ3 LYS 8 48.278 -4.726 -0.865
68 H ALA 9 HN ALA 9 47.539 3.524 -1.278
69 HA ALA 9 HA ALA 9 48.379 2.877 1.433
70 HB1 ALA 9 HB1 ALA 9 50.252 4.307 0.949
71 HB2 ALA 9 HB2 ALA 9 49.124 5.223 1.977
72 HB3 ALA 9 HB3 ALA 9 49.194 5.540 0.227
73 H ALA 10 HN ALA 10 46.555 2.936 2.549
74 HA ALA 10 HA ALA 10 44.150 4.105 1.564
75 HB1 ALA 10 HB1 ALA 10 44.327 2.287 3.279
76 HB2 ALA 10 HB2 ALA 10 43.222 3.604 3.738
77 HB3 ALA 10 HB3 ALA 10 44.847 3.511 4.459
78 H HIS 11 HN HIS 11 42.843 5.687 3.044
79 HA HIS 11 HA HIS 11 44.067 8.251 2.778
80 HB2 HIS 11 HB2 HIS 11 42.133 9.049 4.156
81 HB3 HIS 11 HB1 HIS 11 41.649 7.998 2.803
82 HD1 HIS 11 HD1 HIS 11 41.682 8.246 6.533
83 HD2 HIS 11 HD2 HIS 11 40.849 5.336 3.613
84 HE1 HIS 11 HE1 HIS 11 40.509 6.304 7.707
85 H ALA 12 HN ALA 12 43.323 6.360 5.749
86 HA ALA 12 HA ALA 12 44.208 6.543 7.887
87 HB1 ALA 12 HB1 ALA 12 46.664 6.725 8.008
88 HB2 ALA 12 HB2 ALA 12 46.707 7.246 6.307
89 HB3 ALA 12 HB3 ALA 12 46.157 5.605 6.723
90 H GLY 13 HN GLY 13 42.906 8.890 6.814
91 HA2 GLY 13 HA1 GLY 13 43.762 10.788 8.811
92 HA3 GLY 13 HA2 GLY 13 44.287 11.301 7.196
93 H LYS 14 HN LYS 14 42.649 11.524 5.511
94 HA LYS 14 HA LYS 14 39.837 11.570 6.279
95 HB2 LYS 14 HB2 LYS 14 40.579 13.623 7.428
96 HB3 LYS 14 HB1 LYS 14 41.267 14.234 5.904
97 HG2 LYS 14 HG2 LYS 14 39.094 14.343 4.864
98 HG3 LYS 14 HG1 LYS 14 38.339 13.453 6.210
99 HD2 LYS 14 HD2 LYS 14 38.747 15.293 7.743
100 HD3 LYS 14 HD1 LYS 14 39.706 16.160 6.519
101 HE2 LYS 14 HE2 LYS 14 37.359 17.031 6.716
102 HE3 LYS 14 HE1 LYS 14 37.737 16.415 5.090
103 HZ1 LYS 14 HZ1 LYS 14 36.585 14.413 5.542
104 HZ2 LYS 14 HZ2 LYS 14 35.561 15.670 6.046
105 HZ3 LYS 14 HZ3 LYS 14 36.431 14.769 7.194
106 H HIS 15 HN HIS 15 41.551 13.861 4.145
107 HA HIS 15 HA HIS 15 39.928 12.997 1.877
108 HB2 HIS 15 HB2 HIS 15 40.693 15.351 2.208
109 HB3 HIS 15 HB1 HIS 15 42.368 14.816 1.934
110 HD1 HIS 15 HD1 HIS 15 43.154 14.863 -0.434
111 HD2 HIS 15 HD2 HIS 15 38.971 14.528 -0.174
112 HE1 HIS 15 HE1 HIS 15 42.230 14.981 -2.814
113 H ALA 16 HN ALA 16 43.403 12.805 2.749
114 HA ALA 16 HA ALA 16 43.699 10.220 1.515
115 HB1 ALA 16 HB1 ALA 16 43.530 11.400 -0.587
116 HB2 ALA 16 HB2 ALA 16 45.230 10.938 -0.339
117 HB3 ALA 16 HB3 ALA 16 44.711 12.617 -0.050
118 H GLY 17 HN GLY 17 44.693 12.883 3.310
119 HA2 GLY 17 HA1 GLY 17 46.831 11.430 4.558
120 HA3 GLY 17 HA2 GLY 17 47.498 12.632 3.435
121 H LYS 18 HN LYS 18 44.839 12.449 5.843
122 HA LYS 18 HA LYS 18 44.195 13.982 7.465
123 HB2 LYS 18 HB2 LYS 18 47.208 14.405 7.509
124 HB3 LYS 18 HB1 LYS 18 46.090 15.123 8.694
125 HG2 LYS 18 HG2 LYS 18 45.307 12.894 9.359
126 HG3 LYS 18 HG1 LYS 18 46.338 12.138 8.120
127 HD2 LYS 18 HD2 LYS 18 48.339 13.207 9.248
128 HD3 LYS 18 HD1 LYS 18 47.249 13.717 10.561
129 HE2 LYS 18 HE2 LYS 18 47.786 10.853 9.661
130 HE3 LYS 18 HE1 LYS 18 48.330 11.606 11.179
131 HZ1 LYS 18 HZ1 LYS 18 45.970 11.969 11.739
132 HZ2 LYS 18 HZ2 LYS 18 46.357 10.322 11.579
133 HZ3 LYS 18 HZ3 LYS 18 45.513 11.123 10.341
134 H ALA 19 HN ALA 19 46.930 16.041 6.698
135 HA ALA 19 HA ALA 19 45.071 18.222 5.973
136 HB1 ALA 19 HB1 ALA 19 46.897 18.802 7.411
137 HB2 ALA 19 HB2 ALA 19 47.232 19.532 5.822
138 HB3 ALA 19 HB3 ALA 19 48.080 18.048 6.319
139 H ALA 20 HN ALA 20 45.018 16.039 4.163
140 HA ALA 20 HA ALA 20 45.108 15.631 1.887
141 HB1 ALA 20 HB1 ALA 20 45.708 18.588 1.588
142 HB2 ALA 20 HB2 ALA 20 44.080 17.939 1.898
143 HB3 ALA 20 HB3 ALA 20 44.944 17.504 0.403
144 H LEU 21 HN LEU 21 46.971 14.338 2.019
145 HA LEU 21 HA LEU 21 49.164 13.753 1.540
146 HB2 LEU 21 HB2 LEU 21 49.209 16.124 -0.356
147 HB3 LEU 21 HB1 LEU 21 50.029 14.552 -0.521
148 HG LEU 21 HG LEU 21 47.021 15.053 -0.637
149 HD11 LEU 21 HD11 LEU 21 48.266 15.728 -2.666
150 HD12 LEU 21 HD12 LEU 21 47.287 14.276 -2.981
151 HD13 LEU 21 HD13 LEU 21 49.043 14.129 -2.728
152 HD21 LEU 21 HD21 LEU 21 47.054 12.557 -1.337
153 HD22 LEU 21 HD22 LEU 21 47.291 12.909 0.390
154 HD23 LEU 21 HD23 LEU 21 48.689 12.503 -0.635
155 H THR 22 HN THR 22 48.660 15.768 3.682
156 HA THR 22 HA THR 22 49.883 17.217 5.025
157 HB THR 22 HB THR 22 52.353 15.891 3.831
158 HG1 THR 22 HG1 THR 22 50.875 14.926 6.036
159 HG21 THR 22 HG21 THR 22 53.245 16.241 6.102
160 HG22 THR 22 HG22 THR 22 51.694 16.948 6.614
161 HG23 THR 22 HG23 THR 22 52.698 17.785 5.405
162 H HIS 23 HN HIS 23 49.058 18.797 3.236
163 HA HIS 23 HA HIS 23 51.056 19.859 1.418
164 HB2 HIS 23 HB2 HIS 23 48.628 20.098 1.024
165 HB3 HIS 23 HB1 HIS 23 48.491 21.118 2.474
166 HD1 HIS 23 HD1 HIS 23 48.266 23.494 1.752
167 HD2 HIS 23 HD2 HIS 23 51.125 21.416 -0.524
168 HE1 HIS 23 HE1 HIS 23 49.294 25.163 0.115
169 H TYR 24 HN TYR 24 49.382 21.783 3.918
170 HA TYR 24 HA TYR 24 51.445 23.673 4.222
171 HB2 TYR 24 HB2 TYR 24 49.464 22.708 6.324
172 HB3 TYR 24 HB1 TYR 24 50.382 24.232 6.382
173 HD1 TYR 24 HD1 TYR 24 47.606 22.408 4.766
174 HD2 TYR 24 HD2 TYR 24 49.902 26.063 4.796
175 HE1 TYR 24 HE1 TYR 24 45.866 23.513 3.365
176 HE2 TYR 24 HE2 TYR 24 48.163 27.167 3.395
177 HH TYR 24 HH TYR 24 45.788 26.930 2.949
178 H LEU 25 HN LEU 25 52.584 24.056 6.434
179 HA LEU 25 HA LEU 25 53.481 21.676 7.846
180 HB2 LEU 25 HB2 LEU 25 55.973 22.167 7.075
181 HB3 LEU 25 HB1 LEU 25 54.921 21.131 6.085
182 HG LEU 25 HG LEU 25 54.376 23.001 4.609
183 HD11 LEU 25 HD11 LEU 25 55.996 24.601 6.630
184 HD12 LEU 25 HD12 LEU 25 54.336 24.902 6.058
185 HD13 LEU 25 HD13 LEU 25 55.715 25.185 4.974
186 HD21 LEU 25 HD21 LEU 25 56.439 21.709 4.153
187 HD22 LEU 25 HD22 LEU 25 57.370 22.825 5.180
188 HD23 LEU 25 HD23 LEU 25 56.635 23.410 3.667
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 55.387 1.362 -10.390
2 H2 GLY 1 HT2 GLY 1 56.903 1.447 -11.155
3 H3 GLY 1 HT3 GLY 1 55.707 2.605 -11.497
4 HA2 GLY 1 HA1 GLY 1 56.693 3.865 -10.028
5 HA3 GLY 1 HA2 GLY 1 55.917 2.795 -8.844
6 H TRP 2 HN TRP 2 58.472 4.298 -8.728
7 HA TRP 2 HA TRP 2 60.655 2.436 -9.007
8 HB2 TRP 2 HB2 TRP 2 60.380 4.888 -7.221
9 HB3 TRP 2 HB1 TRP 2 61.902 4.050 -7.611
10 HD1 TRP 2 HD1 TRP 2 59.287 6.385 -9.072
11 HE1 TRP 2 HE1 TRP 2 60.105 7.318 -11.358
12 HE3 TRP 2 HE3 TRP 2 63.433 3.450 -9.703
13 HZ2 TRP 2 HZ2 TRP 2 62.276 6.832 -13.187
14 HZ3 TRP 2 HZ3 TRP 2 64.864 3.702 -11.726
15 HH2 TRP 2 HH2 TRP 2 64.288 5.389 -13.467
16 H GLY 3 HN GLY 3 60.876 0.593 -7.932
17 HA2 GLY 3 HA1 GLY 3 61.039 -0.850 -6.128
18 HA3 GLY 3 HA2 GLY 3 60.945 0.557 -5.052
19 H SER 4 HN SER 4 58.749 1.519 -4.735
20 HA SER 4 HA SER 4 56.967 -0.426 -3.722
21 HB2 SER 4 HB2 SER 4 56.205 2.348 -4.702
22 HB3 SER 4 HB1 SER 4 55.380 1.378 -3.463
23 HG SER 4 HG SER 4 58.118 1.905 -3.157
24 H PHE 5 HN PHE 5 55.019 -1.303 -4.422
25 HA PHE 5 HA PHE 5 54.878 -1.740 -7.327
26 HB2 PHE 5 HB2 PHE 5 53.157 -2.697 -5.006
27 HB3 PHE 5 HB1 PHE 5 52.932 -3.194 -6.700
28 HD1 PHE 5 HD1 PHE 5 54.890 -3.671 -3.656
29 HD2 PHE 5 HD2 PHE 5 54.828 -4.363 -7.917
30 HE1 PHE 5 HE1 PHE 5 56.672 -5.393 -3.402
31 HE2 PHE 5 HE2 PHE 5 56.610 -6.086 -7.662
32 HZ PHE 5 HZ PHE 5 57.586 -6.542 -5.416
33 H PHE 6 HN PHE 6 54.560 0.704 -7.608
34 HA PHE 6 HA PHE 6 53.148 2.443 -8.201
35 HB2 PHE 6 HB2 PHE 6 51.015 0.286 -8.412
36 HB3 PHE 6 HB1 PHE 6 51.053 1.855 -9.252
37 HD1 PHE 6 HD1 PHE 6 52.771 2.305 -11.009
38 HD2 PHE 6 HD2 PHE 6 52.351 -1.585 -9.183
39 HE1 PHE 6 HE1 PHE 6 54.105 1.293 -12.857
40 HE2 PHE 6 HE2 PHE 6 53.685 -2.595 -11.030
41 HZ PHE 6 HZ PHE 6 54.576 -1.154 -12.857
42 H LYS 7 HN LYS 7 50.977 3.551 -7.695
43 HA LYS 7 HA LYS 7 50.788 3.718 -4.788
44 HB2 LYS 7 HB2 LYS 7 48.943 4.990 -6.840
45 HB3 LYS 7 HB1 LYS 7 49.263 5.533 -5.177
46 HG2 LYS 7 HG2 LYS 7 51.341 5.429 -7.415
47 HG3 LYS 7 HG1 LYS 7 50.489 6.895 -6.877
48 HD2 LYS 7 HD2 LYS 7 51.399 6.315 -4.502
49 HD3 LYS 7 HD1 LYS 7 52.509 5.211 -5.349
50 HE2 LYS 7 HE2 LYS 7 53.266 7.137 -6.773
51 HE3 LYS 7 HE1 LYS 7 52.246 8.216 -5.790
52 HZ1 LYS 7 HZ1 LYS 7 53.843 6.586 -4.114
53 HZ2 LYS 7 HZ2 LYS 7 53.809 8.280 -4.240
54 HZ3 LYS 7 HZ3 LYS 7 54.835 7.370 -5.244
55 H LYS 8 HN LYS 8 48.985 2.157 -7.372
56 HA LYS 8 HA LYS 8 47.107 0.795 -7.313
57 HB2 LYS 8 HB2 LYS 8 48.189 0.341 -4.506
58 HB3 LYS 8 HB1 LYS 8 46.872 -0.616 -5.228
59 HG2 LYS 8 HG2 LYS 8 48.291 -1.480 -6.944
60 HG3 LYS 8 HG1 LYS 8 49.555 -0.269 -6.625
61 HD2 LYS 8 HD2 LYS 8 50.123 -2.536 -5.716
62 HD3 LYS 8 HD1 LYS 8 50.049 -1.281 -4.458
63 HE2 LYS 8 HE2 LYS 8 47.605 -2.966 -5.104
64 HE3 LYS 8 HE1 LYS 8 48.864 -3.566 -3.999
65 HZ1 LYS 8 HZ1 LYS 8 46.838 -1.629 -3.524
66 HZ2 LYS 8 HZ2 LYS 8 48.373 -0.959 -3.237
67 HZ3 LYS 8 HZ3 LYS 8 47.893 -2.371 -2.424
68 H ALA 9 HN ALA 9 46.826 1.421 -3.850
69 HA ALA 9 HA ALA 9 44.859 3.554 -4.158
70 HB1 ALA 9 HB1 ALA 9 43.503 1.635 -4.908
71 HB2 ALA 9 HB2 ALA 9 42.915 2.283 -3.358
72 HB3 ALA 9 HB3 ALA 9 43.873 0.783 -3.392
73 H ALA 10 HN ALA 10 47.269 3.213 -2.703
74 HA ALA 10 HA ALA 10 46.740 2.438 0.028
75 HB1 ALA 10 HB1 ALA 10 48.846 4.300 -1.126
76 HB2 ALA 10 HB2 ALA 10 49.007 2.541 -0.903
77 HB3 ALA 10 HB3 ALA 10 48.859 3.610 0.513
78 H HIS 11 HN HIS 11 47.675 4.525 1.577
79 HA HIS 11 HA HIS 11 46.203 6.976 1.062
80 HB2 HIS 11 HB2 HIS 11 44.561 6.756 2.893
81 HB3 HIS 11 HB1 HIS 11 44.290 5.525 1.636
82 HD1 HIS 11 HD1 HIS 11 44.114 5.697 5.107
83 HD2 HIS 11 HD2 HIS 11 46.151 3.098 2.504
84 HE1 HIS 11 HE1 HIS 11 44.663 3.576 6.424
85 H ALA 12 HN ALA 12 48.829 6.653 1.581
86 HA ALA 12 HA ALA 12 49.467 6.733 4.404
87 HB1 ALA 12 HB1 ALA 12 51.058 6.149 2.544
88 HB2 ALA 12 HB2 ALA 12 51.678 7.366 3.686
89 HB3 ALA 12 HB3 ALA 12 51.069 7.869 2.091
90 H GLY 13 HN GLY 13 51.036 8.852 4.889
91 HA2 GLY 13 HA1 GLY 13 49.176 10.895 5.566
92 HA3 GLY 13 HA2 GLY 13 50.944 11.044 5.613
93 H LYS 14 HN LYS 14 48.096 11.216 3.474
94 HA LYS 14 HA LYS 14 49.060 13.644 2.240
95 HB2 LYS 14 HB2 LYS 14 50.575 11.929 1.156
96 HB3 LYS 14 HB1 LYS 14 49.120 11.189 0.446
97 HG2 LYS 14 HG2 LYS 14 48.563 13.288 -0.694
98 HG3 LYS 14 HG1 LYS 14 49.942 14.104 0.080
99 HD2 LYS 14 HD2 LYS 14 51.524 12.667 -1.080
100 HD3 LYS 14 HD1 LYS 14 50.203 11.670 -1.735
101 HE2 LYS 14 HE2 LYS 14 49.338 13.624 -2.984
102 HE3 LYS 14 HE1 LYS 14 50.653 14.628 -2.325
103 HZ1 LYS 14 HZ1 LYS 14 51.258 13.850 -4.497
104 HZ2 LYS 14 HZ2 LYS 14 50.942 12.236 -4.074
105 HZ3 LYS 14 HZ3 LYS 14 52.239 13.067 -3.357
106 H HIS 15 HN HIS 15 47.319 10.766 0.972
107 HA HIS 15 HA HIS 15 45.151 12.353 -0.063
108 HB2 HIS 15 HB2 HIS 15 45.367 9.386 0.583
109 HB3 HIS 15 HB1 HIS 15 43.992 10.126 -0.273
110 HD1 HIS 15 HD1 HIS 15 46.270 12.239 -1.612
111 HD2 HIS 15 HD2 HIS 15 46.006 8.055 -1.939
112 HE1 HIS 15 HE1 HIS 15 47.473 11.565 -3.763
113 H ALA 16 HN ALA 16 45.986 11.495 3.102
114 HA ALA 16 HA ALA 16 43.562 12.656 4.173
115 HB1 ALA 16 HB1 ALA 16 42.627 10.709 5.272
116 HB2 ALA 16 HB2 ALA 16 43.918 9.672 4.619
117 HB3 ALA 16 HB3 ALA 16 42.715 10.394 3.523
118 H GLY 17 HN GLY 17 46.041 13.493 4.569
119 HA2 GLY 17 HA1 GLY 17 47.350 12.195 6.822
120 HA3 GLY 17 HA2 GLY 17 47.742 13.780 6.126
121 H LYS 18 HN LYS 18 45.097 12.191 7.965
122 HA LYS 18 HA LYS 18 43.935 12.906 9.829
123 HB2 LYS 18 HB2 LYS 18 46.388 13.294 10.605
124 HB3 LYS 18 HB1 LYS 18 46.067 15.018 10.313
125 HG2 LYS 18 HG2 LYS 18 44.178 14.968 11.884
126 HG3 LYS 18 HG1 LYS 18 44.391 13.216 12.123
127 HD2 LYS 18 HD2 LYS 18 46.713 13.660 12.965
128 HD3 LYS 18 HD1 LYS 18 46.387 15.406 12.841
129 HE2 LYS 18 HE2 LYS 18 44.803 13.420 14.529
130 HE3 LYS 18 HE1 LYS 18 45.992 14.591 15.148
131 HZ1 LYS 18 HZ1 LYS 18 43.279 15.025 14.169
132 HZ2 LYS 18 HZ2 LYS 18 44.426 16.201 13.738
133 HZ3 LYS 18 HZ3 LYS 18 44.144 15.845 15.376
134 H ALA 19 HN ALA 19 44.496 14.786 7.141
135 HA ALA 19 HA ALA 19 42.078 16.303 7.513
136 HB1 ALA 19 HB1 ALA 19 43.338 17.677 9.033
137 HB2 ALA 19 HB2 ALA 19 43.162 18.580 7.509
138 HB3 ALA 19 HB3 ALA 19 44.702 17.777 7.898
139 H ALA 20 HN ALA 20 44.860 17.863 6.063
140 HA ALA 20 HA ALA 20 44.512 16.654 3.432
141 HB1 ALA 20 HB1 ALA 20 43.546 18.519 2.279
142 HB2 ALA 20 HB2 ALA 20 43.601 19.531 3.742
143 HB3 ALA 20 HB3 ALA 20 42.481 18.148 3.656
144 H LEU 21 HN LEU 21 46.683 16.432 3.236
145 HA LEU 21 HA LEU 21 48.895 17.064 2.944
146 HB2 LEU 21 HB2 LEU 21 47.884 19.848 2.277
147 HB3 LEU 21 HB1 LEU 21 49.297 18.989 1.618
148 HG LEU 21 HG LEU 21 46.362 18.295 1.151
149 HD11 LEU 21 HD11 LEU 21 48.542 19.151 -0.802
150 HD12 LEU 21 HD12 LEU 21 47.348 20.267 -0.095
151 HD13 LEU 21 HD13 LEU 21 46.809 18.937 -1.148
152 HD21 LEU 21 HD21 LEU 21 48.953 16.877 0.398
153 HD22 LEU 21 HD22 LEU 21 47.438 16.620 -0.500
154 HD23 LEU 21 HD23 LEU 21 47.530 16.203 1.226
155 H THR 22 HN THR 22 47.449 17.560 5.555
156 HA THR 22 HA THR 22 47.926 18.505 7.613
157 HB THR 22 HB THR 22 50.748 19.070 6.614
158 HG1 THR 22 HG1 THR 22 51.112 17.003 6.461
159 HG21 THR 22 HG21 THR 22 49.697 17.961 9.253
160 HG22 THR 22 HG22 THR 22 50.033 19.684 8.963
161 HG23 THR 22 HG23 THR 22 51.355 18.497 8.898
162 H HIS 23 HN HIS 23 46.657 20.233 5.896
163 HA HIS 23 HA HIS 23 46.260 22.488 5.523
164 HB2 HIS 23 HB2 HIS 23 47.885 22.740 8.084
165 HB3 HIS 23 HB1 HIS 23 46.858 24.014 7.384
166 HD1 HIS 23 HD1 HIS 23 44.552 24.090 8.314
167 HD2 HIS 23 HD2 HIS 23 46.211 20.233 8.545
168 HE1 HIS 23 HE1 HIS 23 42.820 22.583 9.434
169 H TYR 24 HN TYR 24 47.313 24.729 5.304
170 HA TYR 24 HA TYR 24 49.871 24.333 3.809
171 HB2 TYR 24 HB2 TYR 24 47.890 26.641 3.941
172 HB3 TYR 24 HB1 TYR 24 49.381 26.641 2.967
173 HD1 TYR 24 HD1 TYR 24 49.525 25.401 0.901
174 HD2 TYR 24 HD2 TYR 24 46.086 24.954 3.473
175 HE1 TYR 24 HE1 TYR 24 48.337 24.159 -0.902
176 HE2 TYR 24 HE2 TYR 24 44.900 23.711 1.668
177 HH TYR 24 HH TYR 24 46.333 23.406 -1.582
178 H LEU 25 HN LEU 25 51.784 25.119 4.452
179 HA LEU 25 HA LEU 25 52.013 26.191 7.154
180 HB2 LEU 25 HB2 LEU 25 54.204 26.195 5.051
181 HB3 LEU 25 HB1 LEU 25 54.358 26.059 6.819
182 HG LEU 25 HG LEU 25 53.151 23.984 4.936
183 HD11 LEU 25 HD11 LEU 25 55.655 23.977 6.681
184 HD12 LEU 25 HD12 LEU 25 55.623 24.110 4.906
185 HD13 LEU 25 HD13 LEU 25 55.074 22.613 5.697
186 HD21 LEU 25 HD21 LEU 25 53.151 22.599 7.122
187 HD22 LEU 25 HD22 LEU 25 51.893 23.847 6.969
188 HD23 LEU 25 HD23 LEU 25 53.331 24.152 7.973
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 65.376 -1.952 -11.631
2 H2 GLY 1 HT2 GLY 1 65.428 -0.390 -10.965
3 H3 GLY 1 HT3 GLY 1 65.170 -0.601 -12.631
4 HA2 GLY 1 HA1 GLY 1 63.363 -1.459 -10.470
5 HA3 GLY 1 HA2 GLY 1 63.150 -0.027 -11.497
6 H TRP 2 HN TRP 2 62.873 -3.482 -11.230
7 HA TRP 2 HA TRP 2 62.436 -4.064 -14.016
8 HB2 TRP 2 HB2 TRP 2 61.397 -5.480 -11.529
9 HB3 TRP 2 HB1 TRP 2 61.403 -6.149 -13.177
10 HD1 TRP 2 HD1 TRP 2 63.712 -5.257 -10.276
11 HE1 TRP 2 HE1 TRP 2 66.061 -6.302 -10.665
12 HE3 TRP 2 HE3 TRP 2 63.057 -6.952 -15.063
13 HZ2 TRP 2 HZ2 TRP 2 67.438 -7.682 -12.784
14 HZ3 TRP 2 HZ3 TRP 2 64.903 -8.130 -16.248
15 HH2 TRP 2 HH2 TRP 2 67.091 -8.496 -15.114
16 H GLY 3 HN GLY 3 60.397 -2.822 -11.424
17 HA2 GLY 3 HA1 GLY 3 58.493 -1.620 -13.041
18 HA3 GLY 3 HA2 GLY 3 57.896 -3.279 -12.839
19 H SER 4 HN SER 4 58.199 -4.037 -10.394
20 HA SER 4 HA SER 4 56.383 -2.343 -8.897
21 HB2 SER 4 HB2 SER 4 56.528 -4.863 -8.746
22 HB3 SER 4 HB1 SER 4 58.057 -4.661 -7.864
23 HG SER 4 HG SER 4 55.497 -3.627 -7.147
24 H PHE 5 HN PHE 5 56.748 -0.857 -7.354
25 HA PHE 5 HA PHE 5 59.195 -0.738 -5.823
26 HB2 PHE 5 HB2 PHE 5 60.137 0.052 -7.955
27 HB3 PHE 5 HB1 PHE 5 58.885 1.312 -8.053
28 HD1 PHE 5 HD1 PHE 5 59.387 3.449 -7.167
29 HD2 PHE 5 HD2 PHE 5 61.491 -0.008 -5.662
30 HE1 PHE 5 HE1 PHE 5 60.796 4.926 -5.739
31 HE2 PHE 5 HE2 PHE 5 62.899 1.472 -4.236
32 HZ PHE 5 HZ PHE 5 62.494 3.930 -4.213
33 H PHE 6 HN PHE 6 57.302 1.935 -7.267
34 HA PHE 6 HA PHE 6 56.861 3.247 -4.786
35 HB2 PHE 6 HB2 PHE 6 55.129 4.524 -5.987
36 HB3 PHE 6 HB1 PHE 6 56.589 4.337 -6.986
37 HD1 PHE 6 HD1 PHE 6 56.625 2.764 -8.896
38 HD2 PHE 6 HD2 PHE 6 53.049 3.386 -6.560
39 HE1 PHE 6 HE1 PHE 6 55.271 1.668 -10.678
40 HE2 PHE 6 HE2 PHE 6 51.695 2.291 -8.342
41 HZ PHE 6 HZ PHE 6 52.794 1.517 -10.441
42 H LYS 7 HN LYS 7 54.203 3.813 -4.533
43 HA LYS 7 HA LYS 7 52.604 1.377 -4.374
44 HB2 LYS 7 HB2 LYS 7 52.420 1.347 -1.897
45 HB3 LYS 7 HB1 LYS 7 54.066 0.957 -2.453
46 HG2 LYS 7 HG2 LYS 7 54.602 3.462 -2.147
47 HG3 LYS 7 HG1 LYS 7 53.055 3.576 -1.273
48 HD2 LYS 7 HD2 LYS 7 55.348 1.690 -0.567
49 HD3 LYS 7 HD1 LYS 7 54.964 3.206 0.280
50 HE2 LYS 7 HE2 LYS 7 52.590 2.192 0.614
51 HE3 LYS 7 HE1 LYS 7 53.342 0.642 0.162
52 HZ1 LYS 7 HZ1 LYS 7 53.832 2.339 2.517
53 HZ2 LYS 7 HZ2 LYS 7 55.096 1.372 1.924
54 HZ3 LYS 7 HZ3 LYS 7 53.637 0.657 2.419
55 H LYS 8 HN LYS 8 50.517 1.912 -4.469
56 HA LYS 8 HA LYS 8 49.654 4.568 -4.811
57 HB2 LYS 8 HB2 LYS 8 47.373 3.696 -4.485
58 HB3 LYS 8 HB1 LYS 8 48.341 2.591 -5.490
59 HG2 LYS 8 HG2 LYS 8 48.888 1.322 -3.322
60 HG3 LYS 8 HG1 LYS 8 47.609 2.290 -2.551
61 HD2 LYS 8 HD2 LYS 8 47.231 0.537 -5.021
62 HD3 LYS 8 HD1 LYS 8 46.765 0.083 -3.366
63 HE2 LYS 8 HE2 LYS 8 45.376 2.284 -3.358
64 HE3 LYS 8 HE1 LYS 8 45.604 2.269 -5.124
65 HZ1 LYS 8 HZ1 LYS 8 44.860 -0.259 -4.661
66 HZ2 LYS 8 HZ2 LYS 8 43.780 0.989 -5.069
67 HZ3 LYS 8 HZ3 LYS 8 43.989 0.539 -3.444
68 H ALA 9 HN ALA 9 48.265 5.919 -3.510
69 HA ALA 9 HA ALA 9 48.067 5.456 -0.642
70 HB1 ALA 9 HB1 ALA 9 50.493 6.123 -0.954
71 HB2 ALA 9 HB2 ALA 9 49.550 7.163 0.140
72 HB3 ALA 9 HB3 ALA 9 49.905 7.704 -1.518
73 H ALA 10 HN ALA 10 45.947 5.789 -1.975
74 HA ALA 10 HA ALA 10 45.120 8.274 -2.954
75 HB1 ALA 10 HB1 ALA 10 42.861 7.580 -2.445
76 HB2 ALA 10 HB2 ALA 10 43.447 6.423 -1.225
77 HB3 ALA 10 HB3 ALA 10 43.794 6.151 -2.950
78 H HIS 11 HN HIS 11 44.110 7.186 0.307
79 HA HIS 11 HA HIS 11 45.154 9.550 1.625
80 HB2 HIS 11 HB2 HIS 11 42.941 10.577 2.165
81 HB3 HIS 11 HB1 HIS 11 43.350 10.683 0.436
82 HD1 HIS 11 HD1 HIS 11 42.551 7.242 1.020
83 HD2 HIS 11 HD2 HIS 11 40.251 10.735 0.576
84 HE1 HIS 11 HE1 HIS 11 40.182 6.519 0.390
85 H ALA 12 HN ALA 12 45.818 7.381 2.616
86 HA ALA 12 HA ALA 12 43.958 5.791 4.067
87 HB1 ALA 12 HB1 ALA 12 46.860 6.430 4.699
88 HB2 ALA 12 HB2 ALA 12 46.275 5.111 3.656
89 HB3 ALA 12 HB3 ALA 12 45.918 5.093 5.400
90 H GLY 13 HN GLY 13 45.612 8.825 4.877
91 HA2 GLY 13 HA1 GLY 13 44.788 8.809 7.655
92 HA3 GLY 13 HA2 GLY 13 45.429 10.191 6.746
93 H LYS 14 HN LYS 14 44.006 11.724 7.455
94 HA LYS 14 HA LYS 14 41.139 11.253 7.511
95 HB2 LYS 14 HB2 LYS 14 42.773 13.821 7.577
96 HB3 LYS 14 HB1 LYS 14 41.019 13.723 7.870
97 HG2 LYS 14 HG2 LYS 14 41.507 12.053 9.716
98 HG3 LYS 14 HG1 LYS 14 43.238 12.413 9.497
99 HD2 LYS 14 HD2 LYS 14 42.848 14.780 10.011
100 HD3 LYS 14 HD1 LYS 14 41.095 14.489 10.134
101 HE2 LYS 14 HE2 LYS 14 41.393 13.059 12.064
102 HE3 LYS 14 HE1 LYS 14 43.162 13.076 11.869
103 HZ1 LYS 14 HZ1 LYS 14 43.323 15.093 12.807
104 HZ2 LYS 14 HZ2 LYS 14 41.801 14.738 13.472
105 HZ3 LYS 14 HZ3 LYS 14 41.917 15.689 12.069
106 H HIS 15 HN HIS 15 43.259 13.258 5.402
107 HA HIS 15 HA HIS 15 41.746 12.527 3.035
108 HB2 HIS 15 HB2 HIS 15 40.175 14.152 4.193
109 HB3 HIS 15 HB1 HIS 15 41.420 15.404 3.971
110 HD1 HIS 15 HD1 HIS 15 39.196 13.022 1.967
111 HD2 HIS 15 HD2 HIS 15 41.449 16.530 1.421
112 HE1 HIS 15 HE1 HIS 15 38.744 13.856 -0.405
113 H ALA 16 HN ALA 16 44.508 13.008 4.341
114 HA ALA 16 HA ALA 16 45.799 13.868 1.885
115 HB1 ALA 16 HB1 ALA 16 45.120 16.075 2.784
116 HB2 ALA 16 HB2 ALA 16 46.889 15.877 2.750
117 HB3 ALA 16 HB3 ALA 16 46.004 15.719 4.286
118 H GLY 17 HN GLY 17 45.987 13.290 5.388
119 HA2 GLY 17 HA1 GLY 17 47.452 11.909 6.550
120 HA3 GLY 17 HA2 GLY 17 48.154 11.395 5.003
121 H LYS 18 HN LYS 18 49.538 13.108 3.888
122 HA LYS 18 HA LYS 18 51.584 13.914 5.814
123 HB2 LYS 18 HB2 LYS 18 52.764 14.768 3.793
124 HB3 LYS 18 HB1 LYS 18 52.228 13.081 3.611
125 HG2 LYS 18 HG2 LYS 18 50.210 13.872 2.381
126 HG3 LYS 18 HG1 LYS 18 50.794 15.546 2.526
127 HD2 LYS 18 HD2 LYS 18 52.922 14.809 1.357
128 HD3 LYS 18 HD1 LYS 18 52.131 13.244 1.047
129 HE2 LYS 18 HE2 LYS 18 51.066 15.966 0.169
130 HE3 LYS 18 HE1 LYS 18 51.885 14.788 -0.887
131 HZ1 LYS 18 HZ1 LYS 18 50.141 13.189 -0.386
132 HZ2 LYS 18 HZ2 LYS 18 49.480 14.606 -1.051
133 HZ3 LYS 18 HZ3 LYS 18 49.360 14.311 0.618
134 H ALA 19 HN ALA 19 48.865 15.188 5.957
135 HA ALA 19 HA ALA 19 49.804 17.883 6.450
136 HB1 ALA 19 HB1 ALA 19 48.560 19.084 4.790
137 HB2 ALA 19 HB2 ALA 19 47.798 17.590 4.192
138 HB3 ALA 19 HB3 ALA 19 49.537 17.869 3.933
139 H ALA 20 HN ALA 20 47.489 15.350 6.438
140 HA ALA 20 HA ALA 20 45.474 15.065 7.556
141 HB1 ALA 20 HB1 ALA 20 45.390 16.136 9.828
142 HB2 ALA 20 HB2 ALA 20 46.884 17.011 9.410
143 HB3 ALA 20 HB3 ALA 20 46.888 15.233 9.499
144 H LEU 21 HN LEU 21 44.187 16.000 5.894
145 HA LEU 21 HA LEU 21 42.660 17.527 5.049
146 HB2 LEU 21 HB2 LEU 21 41.749 16.987 7.399
147 HB3 LEU 21 HB1 LEU 21 42.425 18.551 7.899
148 HG LEU 21 HG LEU 21 41.089 19.504 5.812
149 HD11 LEU 21 HD11 LEU 21 39.664 16.857 6.356
150 HD12 LEU 21 HD12 LEU 21 40.355 17.409 4.813
151 HD13 LEU 21 HD13 LEU 21 38.927 18.221 5.488
152 HD21 LEU 21 HD21 LEU 21 40.588 20.062 8.164
153 HD22 LEU 21 HD22 LEU 21 39.680 18.542 8.344
154 HD23 LEU 21 HD23 LEU 21 39.082 19.812 7.249
155 H THR 22 HN THR 22 45.188 18.343 4.579
156 HA THR 22 HA THR 22 46.491 20.212 4.147
157 HB THR 22 HB THR 22 43.900 21.798 4.376
158 HG1 THR 22 HG1 THR 22 43.309 20.402 2.897
159 HG21 THR 22 HG21 THR 22 44.993 23.207 2.662
160 HG22 THR 22 HG22 THR 22 46.417 22.140 2.688
161 HG23 THR 22 HG23 THR 22 45.996 23.098 4.128
162 H HIS 23 HN HIS 23 47.740 20.277 6.002
163 HA HIS 23 HA HIS 23 46.893 21.301 8.518
164 HB2 HIS 23 HB2 HIS 23 48.991 20.004 8.105
165 HB3 HIS 23 HB1 HIS 23 49.683 21.438 7.308
166 HD1 HIS 23 HD1 HIS 23 47.574 21.248 10.513
167 HD2 HIS 23 HD2 HIS 23 51.441 22.332 9.271
168 HE1 HIS 23 HE1 HIS 23 48.748 22.309 12.519
169 H TYR 24 HN TYR 24 48.590 22.926 5.803
170 HA TYR 24 HA TYR 24 48.759 25.488 7.043
171 HB2 TYR 24 HB2 TYR 24 50.016 24.873 5.013
172 HB3 TYR 24 HB1 TYR 24 48.495 24.788 4.090
173 HD1 TYR 24 HD1 TYR 24 50.769 27.070 5.987
174 HD2 TYR 24 HD2 TYR 24 47.396 26.788 3.306
175 HE1 TYR 24 HE1 TYR 24 50.885 29.525 5.580
176 HE2 TYR 24 HE2 TYR 24 47.514 29.243 2.902
177 HH TYR 24 HH TYR 24 48.275 31.206 4.054
178 H LEU 25 HN LEU 25 47.521 27.387 6.788
179 HA LEU 25 HA LEU 25 44.659 26.912 6.883
180 HB2 LEU 25 HB2 LEU 25 46.001 29.614 6.542
181 HB3 LEU 25 HB1 LEU 25 44.464 29.234 7.355
182 HG LEU 25 HG LEU 25 47.254 28.410 8.280
183 HD11 LEU 25 HD11 LEU 25 46.725 29.904 10.201
184 HD12 LEU 25 HD12 LEU 25 45.185 30.342 9.421
185 HD13 LEU 25 HD13 LEU 25 46.729 30.790 8.658
186 HD21 LEU 25 HD21 LEU 25 45.787 26.635 8.929
187 HD22 LEU 25 HD22 LEU 25 44.457 27.759 9.301
188 HD23 LEU 25 HD23 LEU 25 45.886 27.685 10.360
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 58.880 2.111 -12.687
2 H2 GLY 1 HT2 GLY 1 58.910 2.759 -11.116
3 H3 GLY 1 HT3 GLY 1 60.364 2.451 -11.941
4 HA2 GLY 1 HA1 GLY 1 59.880 4.109 -13.547
5 HA3 GLY 1 HA2 GLY 1 58.310 4.392 -12.771
6 H TRP 2 HN TRP 2 61.207 3.667 -10.919
7 HA TRP 2 HA TRP 2 62.253 4.923 -9.267
8 HB2 TRP 2 HB2 TRP 2 61.941 7.192 -11.270
9 HB3 TRP 2 HB1 TRP 2 63.164 7.052 -9.985
10 HD1 TRP 2 HD1 TRP 2 64.930 4.974 -10.240
11 HE1 TRP 2 HE1 TRP 2 65.955 3.884 -12.366
12 HE3 TRP 2 HE3 TRP 2 61.536 6.616 -13.705
13 HZ2 TRP 2 HZ2 TRP 2 65.356 3.761 -15.181
14 HZ3 TRP 2 HZ3 TRP 2 61.784 6.000 -16.104
15 HH2 TRP 2 HH2 TRP 2 63.689 4.576 -16.845
16 H GLY 3 HN GLY 3 60.378 4.725 -7.869
17 HA2 GLY 3 HA1 GLY 3 59.646 7.121 -6.627
18 HA3 GLY 3 HA2 GLY 3 58.367 6.804 -7.816
19 H SER 4 HN SER 4 58.324 3.992 -7.724
20 HA SER 4 HA SER 4 57.236 2.323 -6.537
21 HB2 SER 4 HB2 SER 4 58.671 3.512 -4.133
22 HB3 SER 4 HB1 SER 4 58.032 1.861 -4.287
23 HG SER 4 HG SER 4 60.410 2.494 -4.824
24 H PHE 5 HN PHE 5 55.214 3.462 -6.993
25 HA PHE 5 HA PHE 5 54.012 5.345 -5.260
26 HB2 PHE 5 HB2 PHE 5 52.549 3.104 -6.701
27 HB3 PHE 5 HB1 PHE 5 51.917 4.707 -6.256
28 HD1 PHE 5 HD1 PHE 5 52.577 6.719 -7.494
29 HD2 PHE 5 HD2 PHE 5 54.138 2.839 -8.559
30 HE1 PHE 5 HE1 PHE 5 53.403 7.644 -9.656
31 HE2 PHE 5 HE2 PHE 5 54.963 3.763 -10.721
32 HZ PHE 5 HZ PHE 5 54.613 6.170 -11.261
33 H PHE 6 HN PHE 6 52.268 5.062 -3.702
34 HA PHE 6 HA PHE 6 53.002 3.340 -1.566
35 HB2 PHE 6 HB2 PHE 6 50.308 4.617 -2.181
36 HB3 PHE 6 HB1 PHE 6 50.781 3.918 -0.613
37 HD1 PHE 6 HD1 PHE 6 51.470 6.639 -3.063
38 HD2 PHE 6 HD2 PHE 6 52.318 5.072 0.868
39 HE1 PHE 6 HE1 PHE 6 52.579 8.783 -2.449
40 HE2 PHE 6 HE2 PHE 6 53.428 7.217 1.483
41 HZ PHE 6 HZ PHE 6 53.498 9.095 -0.153
42 H LYS 7 HN LYS 7 52.613 1.273 -1.076
43 HA LYS 7 HA LYS 7 51.639 -0.570 -2.973
44 HB2 LYS 7 HB2 LYS 7 52.968 -1.064 -0.867
45 HB3 LYS 7 HB1 LYS 7 51.446 -0.911 0.042
46 HG2 LYS 7 HG2 LYS 7 50.440 -2.680 -1.433
47 HG3 LYS 7 HG1 LYS 7 52.030 -2.885 -2.208
48 HD2 LYS 7 HD2 LYS 7 53.012 -3.395 0.045
49 HD3 LYS 7 HD1 LYS 7 51.374 -3.317 0.738
50 HE2 LYS 7 HE2 LYS 7 51.867 -5.647 0.279
51 HE3 LYS 7 HE1 LYS 7 50.674 -5.098 -0.922
52 HZ1 LYS 7 HZ1 LYS 7 52.109 -5.465 -2.561
53 HZ2 LYS 7 HZ2 LYS 7 53.109 -6.258 -1.439
54 HZ3 LYS 7 HZ3 LYS 7 53.354 -4.614 -1.785
55 H LYS 8 HN LYS 8 49.700 -0.365 -3.936
56 HA LYS 8 HA LYS 8 47.395 -0.152 -4.158
57 HB2 LYS 8 HB2 LYS 8 47.474 -1.633 -1.499
58 HB3 LYS 8 HB1 LYS 8 46.055 -1.491 -2.565
59 HG2 LYS 8 HG2 LYS 8 47.109 -2.754 -4.308
60 HG3 LYS 8 HG1 LYS 8 48.707 -2.628 -3.536
61 HD2 LYS 8 HD2 LYS 8 47.666 -4.878 -3.208
62 HD3 LYS 8 HD1 LYS 8 47.959 -4.033 -1.670
63 HE2 LYS 8 HE2 LYS 8 45.649 -5.176 -1.990
64 HE3 LYS 8 HE1 LYS 8 45.660 -3.502 -1.388
65 HZ1 LYS 8 HZ1 LYS 8 44.132 -4.176 -3.365
66 HZ2 LYS 8 HZ2 LYS 8 45.544 -3.997 -4.291
67 HZ3 LYS 8 HZ3 LYS 8 44.941 -2.686 -3.394
68 H ALA 9 HN ALA 9 45.273 0.274 -2.564
69 HA ALA 9 HA ALA 9 45.351 3.030 -2.024
70 HB1 ALA 9 HB1 ALA 9 43.612 0.984 -0.605
71 HB2 ALA 9 HB2 ALA 9 43.301 1.616 -2.241
72 HB3 ALA 9 HB3 ALA 9 43.264 2.712 -0.840
73 H ALA 10 HN ALA 10 45.252 4.227 -0.023
74 HA ALA 10 HA ALA 10 46.130 2.978 2.458
75 HB1 ALA 10 HB1 ALA 10 48.287 4.270 2.582
76 HB2 ALA 10 HB2 ALA 10 48.105 4.628 0.848
77 HB3 ALA 10 HB3 ALA 10 48.290 2.944 1.396
78 H HIS 11 HN HIS 11 47.228 6.162 1.397
79 HA HIS 11 HA HIS 11 46.679 8.267 2.207
80 HB2 HIS 11 HB2 HIS 11 43.859 7.123 2.102
81 HB3 HIS 11 HB1 HIS 11 44.291 8.849 2.150
82 HD1 HIS 11 HD1 HIS 11 42.706 7.929 -0.269
83 HD2 HIS 11 HD2 HIS 11 46.902 7.704 -0.125
84 HE1 HIS 11 HE1 HIS 11 43.550 7.913 -2.679
85 H ALA 12 HN ALA 12 47.698 8.140 4.218
86 HA ALA 12 HA ALA 12 46.267 7.029 6.529
87 HB1 ALA 12 HB1 ALA 12 48.679 6.902 6.478
88 HB2 ALA 12 HB2 ALA 12 48.201 8.002 7.793
89 HB3 ALA 12 HB3 ALA 12 48.813 8.662 6.257
90 H GLY 13 HN GLY 13 44.374 8.556 5.763
91 HA2 GLY 13 HA1 GLY 13 43.963 10.449 7.815
92 HA3 GLY 13 HA2 GLY 13 44.559 11.347 6.406
93 H LYS 14 HN LYS 14 43.404 11.020 4.335
94 HA LYS 14 HA LYS 14 40.683 9.930 4.470
95 HB2 LYS 14 HB2 LYS 14 40.555 12.221 5.611
96 HB3 LYS 14 HB1 LYS 14 40.955 12.927 4.027
97 HG2 LYS 14 HG2 LYS 14 38.991 11.583 3.074
98 HG3 LYS 14 HG1 LYS 14 38.529 11.237 4.759
99 HD2 LYS 14 HD2 LYS 14 38.881 14.027 3.571
100 HD3 LYS 14 HD1 LYS 14 37.319 13.220 3.843
101 HE2 LYS 14 HE2 LYS 14 38.114 12.977 6.320
102 HE3 LYS 14 HE1 LYS 14 39.322 14.214 5.896
103 HZ1 LYS 14 HZ1 LYS 14 37.744 15.799 5.641
104 HZ2 LYS 14 HZ2 LYS 14 36.919 14.831 6.767
105 HZ3 LYS 14 HZ3 LYS 14 36.550 14.717 5.113
106 H HIS 15 HN HIS 15 42.136 12.662 2.650
107 HA HIS 15 HA HIS 15 41.462 11.289 0.109
108 HB2 HIS 15 HB2 HIS 15 42.754 13.985 0.696
109 HB3 HIS 15 HB1 HIS 15 42.292 13.395 -0.919
110 HD1 HIS 15 HD1 HIS 15 39.642 11.931 0.508
111 HD2 HIS 15 HD2 HIS 15 40.686 16.004 0.477
112 HE1 HIS 15 HE1 HIS 15 37.497 13.269 0.864
113 H ALA 16 HN ALA 16 44.345 12.475 1.865
114 HA ALA 16 HA ALA 16 45.987 10.323 0.871
115 HB1 ALA 16 HB1 ALA 16 45.866 11.610 -1.225
116 HB2 ALA 16 HB2 ALA 16 47.511 11.639 -0.546
117 HB3 ALA 16 HB3 ALA 16 46.450 13.058 -0.371
118 H GLY 17 HN GLY 17 45.328 13.130 2.680
119 HA2 GLY 17 HA1 GLY 17 47.274 12.516 4.670
120 HA3 GLY 17 HA2 GLY 17 47.907 13.825 3.650
121 H LYS 18 HN LYS 18 44.630 13.010 4.863
122 HA LYS 18 HA LYS 18 43.087 14.328 5.984
123 HB2 LYS 18 HB2 LYS 18 45.524 15.719 7.159
124 HB3 LYS 18 HB1 LYS 18 43.886 15.644 7.853
125 HG2 LYS 18 HG2 LYS 18 44.088 13.159 7.997
126 HG3 LYS 18 HG1 LYS 18 45.755 13.279 7.383
127 HD2 LYS 18 HD2 LYS 18 46.318 14.773 9.317
128 HD3 LYS 18 HD1 LYS 18 44.676 14.513 9.955
129 HE2 LYS 18 HE2 LYS 18 45.071 12.144 10.226
130 HE3 LYS 18 HE1 LYS 18 46.613 12.243 9.343
131 HZ1 LYS 18 HZ1 LYS 18 47.658 13.231 11.098
132 HZ2 LYS 18 HZ2 LYS 18 46.538 12.277 11.949
133 HZ3 LYS 18 HZ3 LYS 18 46.244 13.934 11.717
134 H ALA 19 HN ALA 19 43.356 15.108 3.432
135 HA ALA 19 HA ALA 19 43.108 16.913 1.993
136 HB1 ALA 19 HB1 ALA 19 41.167 17.261 3.509
137 HB2 ALA 19 HB2 ALA 19 41.800 18.784 2.838
138 HB3 ALA 19 HB3 ALA 19 42.177 18.324 4.517
139 H ALA 20 HN ALA 20 45.694 16.613 2.587
140 HA ALA 20 HA ALA 20 46.716 19.303 2.278
141 HB1 ALA 20 HB1 ALA 20 47.179 17.892 4.924
142 HB2 ALA 20 HB2 ALA 20 46.440 19.490 4.657
143 HB3 ALA 20 HB3 ALA 20 48.173 19.246 4.337
144 H LEU 21 HN LEU 21 46.829 15.989 2.001
145 HA LEU 21 HA LEU 21 48.423 14.513 1.180
146 HB2 LEU 21 HB2 LEU 21 49.300 17.157 -0.028
147 HB3 LEU 21 HB1 LEU 21 50.169 15.647 -0.383
148 HG LEU 21 HG LEU 21 48.146 14.625 -1.280
149 HD11 LEU 21 HD11 LEU 21 46.821 17.162 -0.244
150 HD12 LEU 21 HD12 LEU 21 46.395 15.469 0.102
151 HD13 LEU 21 HD13 LEU 21 46.067 16.155 -1.504
152 HD21 LEU 21 HD21 LEU 21 48.518 17.477 -2.305
153 HD22 LEU 21 HD22 LEU 21 47.737 16.152 -3.201
154 HD23 LEU 21 HD23 LEU 21 49.469 16.056 -2.801
155 H THR 22 HN THR 22 50.932 16.928 1.103
156 HA THR 22 HA THR 22 52.517 15.359 3.023
157 HB THR 22 HB THR 22 54.319 16.941 2.501
158 HG1 THR 22 HG1 THR 22 53.917 18.744 1.293
159 HG21 THR 22 HG21 THR 22 54.543 16.466 0.145
160 HG22 THR 22 HG22 THR 22 52.780 16.326 -0.050
161 HG23 THR 22 HG23 THR 22 53.673 15.097 0.877
162 H HIS 23 HN HIS 23 50.189 16.397 4.226
163 HA HIS 23 HA HIS 23 49.501 17.670 6.045
164 HB2 HIS 23 HB2 HIS 23 52.451 17.622 6.783
165 HB3 HIS 23 HB1 HIS 23 51.065 17.810 7.885
166 HD1 HIS 23 HD1 HIS 23 52.064 15.274 5.152
167 HD2 HIS 23 HD2 HIS 23 50.405 15.388 9.014
168 HE1 HIS 23 HE1 HIS 23 51.672 12.857 5.884
169 H TYR 24 HN TYR 24 50.666 19.655 7.567
170 HA TYR 24 HA TYR 24 50.321 21.940 5.836
171 HB2 TYR 24 HB2 TYR 24 51.367 21.661 8.680
172 HB3 TYR 24 HB1 TYR 24 51.086 23.223 7.876
173 HD1 TYR 24 HD1 TYR 24 49.496 20.199 9.299
174 HD2 TYR 24 HD2 TYR 24 48.812 23.974 7.321
175 HE1 TYR 24 HE1 TYR 24 47.077 20.067 9.881
176 HE2 TYR 24 HE2 TYR 24 46.394 23.842 7.902
177 HH TYR 24 HH TYR 24 44.785 21.278 8.906
178 H LEU 25 HN LEU 25 53.082 21.829 8.026
179 HA LEU 25 HA LEU 25 54.801 23.181 6.208
180 HB2 LEU 25 HB2 LEU 25 54.943 22.725 8.822
181 HB3 LEU 25 HB1 LEU 25 55.913 21.321 8.330
182 HG LEU 25 HG LEU 25 56.457 24.252 7.667
183 HD11 LEU 25 HD11 LEU 25 58.134 22.227 9.206
184 HD12 LEU 25 HD12 LEU 25 57.015 23.370 9.987
185 HD13 LEU 25 HD13 LEU 25 58.410 23.979 9.065
186 HD21 LEU 25 HD21 LEU 25 57.134 23.028 5.725
187 HD22 LEU 25 HD22 LEU 25 57.750 21.669 6.698
188 HD23 LEU 25 HD23 LEU 25 58.617 23.223 6.684
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 58.816 -3.629 -7.929
2 H2 GLY 1 HT2 GLY 1 59.572 -2.944 -6.570
3 H3 GLY 1 HT3 GLY 1 59.205 -4.603 -6.598
4 HA2 GLY 1 HA1 GLY 1 61.421 -3.169 -7.694
5 HA3 GLY 1 HA2 GLY 1 61.289 -4.863 -7.185
6 H TRP 2 HN TRP 2 61.703 -6.215 -8.783
7 HA TRP 2 HA TRP 2 61.538 -5.402 -11.560
8 HB2 TRP 2 HB2 TRP 2 61.722 -8.231 -10.463
9 HB3 TRP 2 HB1 TRP 2 62.243 -7.650 -12.063
10 HD1 TRP 2 HD1 TRP 2 63.174 -7.472 -8.345
11 HE1 TRP 2 HE1 TRP 2 65.649 -6.709 -8.106
12 HE3 TRP 2 HE3 TRP 2 64.159 -6.379 -13.249
13 HZ2 TRP 2 HZ2 TRP 2 67.747 -5.758 -9.836
14 HZ3 TRP 2 HZ3 TRP 2 66.404 -5.547 -13.932
15 HH2 TRP 2 HH2 TRP 2 68.197 -5.236 -12.231
16 H GLY 3 HN GLY 3 59.980 -5.676 -13.055
17 HA2 GLY 3 HA1 GLY 3 57.987 -6.415 -14.002
18 HA3 GLY 3 HA2 GLY 3 57.813 -7.590 -12.682
19 H SER 4 HN SER 4 57.304 -6.549 -10.478
20 HA SER 4 HA SER 4 54.764 -5.350 -10.618
21 HB2 SER 4 HB2 SER 4 55.055 -4.826 -8.239
22 HB3 SER 4 HB1 SER 4 55.713 -6.438 -8.599
23 HG SER 4 HG SER 4 56.991 -4.086 -7.858
24 H PHE 5 HN PHE 5 54.129 -3.185 -9.711
25 HA PHE 5 HA PHE 5 56.014 -0.988 -9.927
26 HB2 PHE 5 HB2 PHE 5 55.728 -1.514 -12.342
27 HB3 PHE 5 HB1 PHE 5 53.973 -1.274 -12.167
28 HD1 PHE 5 HD1 PHE 5 53.018 0.943 -11.990
29 HD2 PHE 5 HD2 PHE 5 57.301 0.402 -11.982
30 HE1 PHE 5 HE1 PHE 5 53.329 3.398 -12.281
31 HE2 PHE 5 HE2 PHE 5 57.611 2.857 -12.272
32 HZ PHE 5 HZ PHE 5 55.625 4.360 -12.378
33 H PHE 6 HN PHE 6 52.908 -2.384 -9.403
34 HA PHE 6 HA PHE 6 51.348 -0.022 -9.011
35 HB2 PHE 6 HB2 PHE 6 49.969 -1.522 -7.498
36 HB3 PHE 6 HB1 PHE 6 50.247 -2.156 -9.138
37 HD1 PHE 6 HD1 PHE 6 51.085 -2.514 -5.552
38 HD2 PHE 6 HD2 PHE 6 51.792 -4.027 -9.531
39 HE1 PHE 6 HE1 PHE 6 52.148 -4.551 -4.588
40 HE2 PHE 6 HE2 PHE 6 52.857 -6.063 -8.568
41 HZ PHE 6 HZ PHE 6 53.098 -6.291 -6.098
42 H LYS 7 HN LYS 7 50.521 0.775 -6.903
43 HA LYS 7 HA LYS 7 50.949 1.835 -4.891
44 HB2 LYS 7 HB2 LYS 7 51.031 -0.572 -4.130
45 HB3 LYS 7 HB1 LYS 7 52.800 -0.509 -4.313
46 HG2 LYS 7 HG2 LYS 7 52.911 1.374 -2.715
47 HG3 LYS 7 HG1 LYS 7 51.139 1.340 -2.543
48 HD2 LYS 7 HD2 LYS 7 51.217 -0.906 -1.603
49 HD3 LYS 7 HD1 LYS 7 52.968 -1.018 -1.916
50 HE2 LYS 7 HE2 LYS 7 51.684 1.075 -0.110
51 HE3 LYS 7 HE1 LYS 7 52.405 -0.443 0.475
52 HZ1 LYS 7 HZ1 LYS 7 53.691 1.975 -0.245
53 HZ2 LYS 7 HZ2 LYS 7 54.254 0.718 -1.242
54 HZ3 LYS 7 HZ3 LYS 7 54.358 0.577 0.449
55 H LYS 8 HN LYS 8 52.024 3.684 -4.948
56 HA LYS 8 HA LYS 8 54.923 3.701 -4.636
57 HB2 LYS 8 HB2 LYS 8 55.438 4.935 -6.708
58 HB3 LYS 8 HB1 LYS 8 54.792 3.315 -7.073
59 HG2 LYS 8 HG2 LYS 8 52.489 4.410 -7.272
60 HG3 LYS 8 HG1 LYS 8 53.326 5.979 -7.214
61 HD2 LYS 8 HD2 LYS 8 53.870 3.764 -9.243
62 HD3 LYS 8 HD1 LYS 8 52.916 5.231 -9.556
63 HE2 LYS 8 HE2 LYS 8 55.043 5.835 -10.373
64 HE3 LYS 8 HE1 LYS 8 55.084 6.499 -8.724
65 HZ1 LYS 8 HZ1 LYS 8 55.953 4.015 -8.295
66 HZ2 LYS 8 HZ2 LYS 8 56.985 5.320 -8.633
67 HZ3 LYS 8 HZ3 LYS 8 56.532 4.248 -9.871
68 H ALA 9 HN ALA 9 52.451 4.669 -3.349
69 HA ALA 9 HA ALA 9 53.386 7.336 -2.719
70 HB1 ALA 9 HB1 ALA 9 51.468 8.608 -3.537
71 HB2 ALA 9 HB2 ALA 9 50.776 7.137 -4.261
72 HB3 ALA 9 HB3 ALA 9 52.297 7.812 -4.895
73 H ALA 10 HN ALA 10 51.020 8.452 -1.750
74 HA ALA 10 HA ALA 10 49.467 6.533 -0.244
75 HB1 ALA 10 HB1 ALA 10 51.476 6.189 1.037
76 HB2 ALA 10 HB2 ALA 10 50.367 7.179 2.016
77 HB3 ALA 10 HB3 ALA 10 51.744 7.942 1.184
78 H HIS 11 HN HIS 11 50.562 9.340 1.485
79 HA HIS 11 HA HIS 11 49.447 11.281 2.078
80 HB2 HIS 11 HB2 HIS 11 48.421 11.150 -0.786
81 HB3 HIS 11 HB1 HIS 11 48.431 12.587 0.263
82 HD1 HIS 11 HD1 HIS 11 50.017 12.470 -2.454
83 HD2 HIS 11 HD2 HIS 11 51.664 11.604 1.319
84 HE1 HIS 11 HE1 HIS 11 52.539 12.838 -2.621
85 H ALA 12 HN ALA 12 46.966 10.214 -0.257
86 HA ALA 12 HA ALA 12 44.701 9.834 0.067
87 HB1 ALA 12 HB1 ALA 12 45.764 8.528 2.596
88 HB2 ALA 12 HB2 ALA 12 45.540 7.747 1.012
89 HB3 ALA 12 HB3 ALA 12 44.127 8.308 1.937
90 H GLY 13 HN GLY 13 45.511 12.402 0.768
91 HA2 GLY 13 HA1 GLY 13 43.301 13.285 2.313
92 HA3 GLY 13 HA2 GLY 13 44.709 13.200 3.390
93 H LYS 14 HN LYS 14 46.716 14.309 2.614
94 HA LYS 14 HA LYS 14 46.419 16.396 0.606
95 HB2 LYS 14 HB2 LYS 14 45.103 17.511 2.298
96 HB3 LYS 14 HB1 LYS 14 46.294 17.128 3.558
97 HG2 LYS 14 HG2 LYS 14 46.390 19.514 2.719
98 HG3 LYS 14 HG1 LYS 14 47.927 18.635 2.575
99 HD2 LYS 14 HD2 LYS 14 47.672 18.345 0.220
100 HD3 LYS 14 HD1 LYS 14 45.940 18.754 0.272
101 HE2 LYS 14 HE2 LYS 14 48.221 20.681 0.904
102 HE3 LYS 14 HE1 LYS 14 47.327 20.623 -0.633
103 HZ1 LYS 14 HZ1 LYS 14 46.373 21.434 2.044
104 HZ2 LYS 14 HZ2 LYS 14 45.272 20.866 0.880
105 HZ3 LYS 14 HZ3 LYS 14 46.216 22.242 0.560
106 H HIS 15 HN HIS 15 48.118 15.707 3.707
107 HA HIS 15 HA HIS 15 50.644 15.298 2.273
108 HB2 HIS 15 HB2 HIS 15 50.525 17.781 2.356
109 HB3 HIS 15 HB1 HIS 15 50.373 17.696 4.127
110 HD1 HIS 15 HD1 HIS 15 52.587 18.445 5.030
111 HD2 HIS 15 HD2 HIS 15 52.997 15.731 1.841
112 HE1 HIS 15 HE1 HIS 15 55.076 17.921 4.790
113 H ALA 16 HN ALA 16 48.545 14.528 4.600
114 HA ALA 16 HA ALA 16 50.491 12.939 6.051
115 HB1 ALA 16 HB1 ALA 16 49.133 15.157 7.618
116 HB2 ALA 16 HB2 ALA 16 50.834 15.200 7.093
117 HB3 ALA 16 HB3 ALA 16 50.284 13.948 8.234
118 H GLY 17 HN GLY 17 47.262 14.380 5.840
119 HA2 GLY 17 HA1 GLY 17 45.196 13.314 5.943
120 HA3 GLY 17 HA2 GLY 17 46.029 11.759 6.134
121 H LYS 18 HN LYS 18 47.235 11.598 8.347
122 HA LYS 18 HA LYS 18 45.265 11.500 10.371
123 HB2 LYS 18 HB2 LYS 18 47.490 10.281 10.307
124 HB3 LYS 18 HB1 LYS 18 48.257 11.799 10.830
125 HG2 LYS 18 HG2 LYS 18 46.936 11.825 12.879
126 HG3 LYS 18 HG1 LYS 18 45.997 10.412 12.339
127 HD2 LYS 18 HD2 LYS 18 48.000 9.009 12.386
128 HD3 LYS 18 HD1 LYS 18 49.012 10.415 12.795
129 HE2 LYS 18 HE2 LYS 18 48.412 9.001 14.791
130 HE3 LYS 18 HE1 LYS 18 47.864 10.688 14.927
131 HZ1 LYS 18 HZ1 LYS 18 46.175 8.969 15.534
132 HZ2 LYS 18 HZ2 LYS 18 46.147 8.487 13.906
133 HZ3 LYS 18 HZ3 LYS 18 45.671 10.059 14.337
134 H ALA 19 HN ALA 19 47.013 14.189 9.125
135 HA ALA 19 HA ALA 19 45.605 16.032 10.838
136 HB1 ALA 19 HB1 ALA 19 48.525 15.507 11.471
137 HB2 ALA 19 HB2 ALA 19 47.131 15.365 12.570
138 HB3 ALA 19 HB3 ALA 19 47.647 16.966 11.986
139 H ALA 20 HN ALA 20 45.145 16.774 8.702
140 HA ALA 20 HA ALA 20 46.848 18.939 7.884
141 HB1 ALA 20 HB1 ALA 20 46.989 16.392 6.242
142 HB2 ALA 20 HB2 ALA 20 48.336 17.305 6.963
143 HB3 ALA 20 HB3 ALA 20 47.422 17.993 5.599
144 H LEU 21 HN LEU 21 45.335 16.868 5.475
145 HA LEU 21 HA LEU 21 43.521 17.289 4.086
146 HB2 LEU 21 HB2 LEU 21 42.452 18.009 6.835
147 HB3 LEU 21 HB1 LEU 21 41.417 18.094 5.391
148 HG LEU 21 HG LEU 21 41.774 15.734 4.919
149 HD11 LEU 21 HD11 LEU 21 43.111 14.375 6.675
150 HD12 LEU 21 HD12 LEU 21 43.797 15.938 7.186
151 HD13 LEU 21 HD13 LEU 21 44.050 15.351 5.524
152 HD21 LEU 21 HD21 LEU 21 40.068 16.423 6.654
153 HD22 LEU 21 HD22 LEU 21 41.276 16.064 7.911
154 HD23 LEU 21 HD23 LEU 21 40.672 14.762 6.859
155 H THR 22 HN THR 22 42.471 19.902 6.192
156 HA THR 22 HA THR 22 43.790 22.026 4.731
157 HB THR 22 HB THR 22 42.228 21.347 2.932
158 HG1 THR 22 HG1 THR 22 41.335 23.713 4.227
159 HG21 THR 22 HG21 THR 22 40.529 20.371 4.564
160 HG22 THR 22 HG22 THR 22 39.842 21.354 3.249
161 HG23 THR 22 HG23 THR 22 39.998 22.040 4.883
162 H HIS 23 HN HIS 23 42.804 20.954 7.448
163 HA HIS 23 HA HIS 23 40.881 22.843 8.451
164 HB2 HIS 23 HB2 HIS 23 41.432 20.711 9.587
165 HB3 HIS 23 HB1 HIS 23 43.064 21.331 9.942
166 HD1 HIS 23 HD1 HIS 23 43.322 22.506 12.127
167 HD2 HIS 23 HD2 HIS 23 39.337 22.530 10.780
168 HE1 HIS 23 HE1 HIS 23 41.915 23.637 13.935
169 H TYR 24 HN TYR 24 44.386 22.654 9.234
170 HA TYR 24 HA TYR 24 44.586 25.224 10.368
171 HB2 TYR 24 HB2 TYR 24 46.733 23.833 8.722
172 HB3 TYR 24 HB1 TYR 24 46.974 25.039 10.009
173 HD1 TYR 24 HD1 TYR 24 46.207 21.520 9.248
174 HD2 TYR 24 HD2 TYR 24 46.470 24.477 12.381
175 HE1 TYR 24 HE1 TYR 24 46.197 19.708 10.960
176 HE2 TYR 24 HE2 TYR 24 46.461 22.665 14.092
177 HH TYR 24 HH TYR 24 45.600 20.203 14.179
178 H LEU 25 HN LEU 25 44.614 27.251 9.628
179 HA LEU 25 HA LEU 25 43.981 27.753 6.845
180 HB2 LEU 25 HB2 LEU 25 44.994 29.835 8.809
181 HB3 LEU 25 HB1 LEU 25 43.847 30.037 7.462
182 HG LEU 25 HG LEU 25 43.367 28.502 10.055
183 HD11 LEU 25 HD11 LEU 25 41.664 30.228 10.444
184 HD12 LEU 25 HD12 LEU 25 42.038 30.982 8.876
185 HD13 LEU 25 HD13 LEU 25 43.247 30.996 10.181
186 HD21 LEU 25 HD21 LEU 25 41.727 28.768 7.500
187 HD22 LEU 25 HD22 LEU 25 40.990 28.338 9.062
188 HD23 LEU 25 HD23 LEU 25 42.219 27.278 8.339
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 53.262 5.976 -13.265
2 H2 GLY 1 HT2 GLY 1 52.447 5.504 -11.849
3 H3 GLY 1 HT3 GLY 1 52.384 4.526 -13.237
4 HA2 GLY 1 HA1 GLY 1 53.936 3.932 -11.303
5 HA3 GLY 1 HA2 GLY 1 54.449 3.728 -12.989
6 H TRP 2 HN TRP 2 55.120 5.161 -9.978
7 HA TRP 2 HA TRP 2 57.627 6.245 -10.966
8 HB2 TRP 2 HB2 TRP 2 57.198 8.611 -10.368
9 HB3 TRP 2 HB1 TRP 2 56.158 8.072 -11.709
10 HD1 TRP 2 HD1 TRP 2 53.585 7.899 -11.282
11 HE1 TRP 2 HE1 TRP 2 52.010 8.680 -9.366
12 HE3 TRP 2 HE3 TRP 2 57.108 8.955 -7.722
13 HZ2 TRP 2 HZ2 TRP 2 52.277 9.630 -6.660
14 HZ3 TRP 2 HZ3 TRP 2 56.425 9.797 -5.480
15 HH2 TRP 2 HH2 TRP 2 54.016 10.135 -4.946
16 H GLY 3 HN GLY 3 55.144 6.130 -8.425
17 HA2 GLY 3 HA1 GLY 3 57.039 6.735 -6.287
18 HA3 GLY 3 HA2 GLY 3 55.362 6.186 -6.106
19 H SER 4 HN SER 4 58.276 4.771 -7.659
20 HA SER 4 HA SER 4 59.157 2.632 -7.462
21 HB2 SER 4 HB2 SER 4 59.727 3.704 -5.220
22 HB3 SER 4 HB1 SER 4 58.335 2.832 -4.544
23 HG SER 4 HG SER 4 60.803 1.901 -5.424
24 H PHE 5 HN PHE 5 58.396 0.617 -5.472
25 HA PHE 5 HA PHE 5 56.236 -0.608 -7.003
26 HB2 PHE 5 HB2 PHE 5 58.098 -1.914 -6.016
27 HB3 PHE 5 HB1 PHE 5 57.536 -1.471 -4.386
28 HD1 PHE 5 HD1 PHE 5 56.310 -3.006 -7.603
29 HD2 PHE 5 HD2 PHE 5 55.944 -2.857 -3.303
30 HE1 PHE 5 HE1 PHE 5 54.686 -4.894 -7.674
31 HE2 PHE 5 HE2 PHE 5 54.319 -4.744 -3.378
32 HZ PHE 5 HZ PHE 5 53.750 -5.811 -5.555
33 H PHE 6 HN PHE 6 56.548 0.134 -3.492
34 HA PHE 6 HA PHE 6 53.862 -0.281 -2.801
35 HB2 PHE 6 HB2 PHE 6 55.617 1.930 -1.672
36 HB3 PHE 6 HB1 PHE 6 54.286 1.075 -0.854
37 HD1 PHE 6 HD1 PHE 6 57.787 0.852 -2.024
38 HD2 PHE 6 HD2 PHE 6 54.549 -1.254 -0.100
39 HE1 PHE 6 HE1 PHE 6 59.384 -0.900 -1.256
40 HE2 PHE 6 HE2 PHE 6 56.144 -3.007 0.668
41 HZ PHE 6 HZ PHE 6 58.559 -2.839 0.076
42 H LYS 7 HN LYS 7 51.979 0.717 -3.134
43 HA LYS 7 HA LYS 7 51.888 2.981 -4.967
44 HB2 LYS 7 HB2 LYS 7 49.693 1.662 -3.315
45 HB3 LYS 7 HB1 LYS 7 49.442 2.814 -4.650
46 HG2 LYS 7 HG2 LYS 7 50.693 1.238 -6.166
47 HG3 LYS 7 HG1 LYS 7 50.744 0.064 -4.830
48 HD2 LYS 7 HD2 LYS 7 48.269 0.068 -4.724
49 HD3 LYS 7 HD1 LYS 7 48.214 1.241 -6.061
50 HE2 LYS 7 HE2 LYS 7 47.859 -1.069 -6.888
51 HE3 LYS 7 HE1 LYS 7 49.364 -0.377 -7.538
52 HZ1 LYS 7 HZ1 LYS 7 50.552 -1.940 -6.529
53 HZ2 LYS 7 HZ2 LYS 7 49.100 -2.741 -6.157
54 HZ3 LYS 7 HZ3 LYS 7 49.797 -1.673 -5.033
55 H LYS 8 HN LYS 8 49.477 3.336 -2.606
56 HA LYS 8 HA LYS 8 50.251 6.002 -1.953
57 HB2 LYS 8 HB2 LYS 8 48.421 4.064 -0.482
58 HB3 LYS 8 HB1 LYS 8 48.534 5.808 -0.148
59 HG2 LYS 8 HG2 LYS 8 47.794 6.352 -2.401
60 HG3 LYS 8 HG1 LYS 8 47.851 4.636 -2.876
61 HD2 LYS 8 HD2 LYS 8 46.054 4.082 -1.337
62 HD3 LYS 8 HD1 LYS 8 46.078 5.724 -0.649
63 HE2 LYS 8 HE2 LYS 8 44.223 5.453 -2.280
64 HE3 LYS 8 HE1 LYS 8 45.404 6.664 -2.832
65 HZ1 LYS 8 HZ1 LYS 8 44.649 4.945 -4.513
66 HZ2 LYS 8 HZ2 LYS 8 45.567 3.813 -3.640
67 HZ3 LYS 8 HZ3 LYS 8 46.324 5.157 -4.352
68 H ALA 9 HN ALA 9 51.765 6.781 -0.645
69 HA ALA 9 HA ALA 9 53.585 5.188 0.792
70 HB1 ALA 9 HB1 ALA 9 52.726 8.032 1.429
71 HB2 ALA 9 HB2 ALA 9 53.933 7.567 0.206
72 HB3 ALA 9 HB3 ALA 9 54.245 7.251 1.929
73 H ALA 10 HN ALA 10 51.017 7.233 2.265
74 HA ALA 10 HA ALA 10 50.076 5.135 3.996
75 HB1 ALA 10 HB1 ALA 10 52.175 5.331 5.150
76 HB2 ALA 10 HB2 ALA 10 50.938 6.131 6.148
77 HB3 ALA 10 HB3 ALA 10 52.062 7.106 5.170
78 H HIS 11 HN HIS 11 48.351 6.336 2.715
79 HA HIS 11 HA HIS 11 47.588 8.992 3.266
80 HB2 HIS 11 HB2 HIS 11 45.297 8.267 2.652
81 HB3 HIS 11 HB1 HIS 11 46.520 7.613 1.536
82 HD1 HIS 11 HD1 HIS 11 43.823 6.624 3.867
83 HD2 HIS 11 HD2 HIS 11 47.205 4.795 2.160
84 HE1 HIS 11 HE1 HIS 11 43.546 4.099 4.147
85 H ALA 12 HN ALA 12 47.763 9.702 5.345
86 HA ALA 12 HA ALA 12 46.659 8.161 7.576
87 HB1 ALA 12 HB1 ALA 12 48.636 9.720 7.714
88 HB2 ALA 12 HB2 ALA 12 47.375 10.004 8.939
89 HB3 ALA 12 HB3 ALA 12 47.500 11.074 7.522
90 H GLY 13 HN GLY 13 44.849 8.950 5.315
91 HA2 GLY 13 HA1 GLY 13 42.610 9.749 6.976
92 HA3 GLY 13 HA2 GLY 13 43.139 11.066 5.912
93 H LYS 14 HN LYS 14 42.686 11.024 3.758
94 HA LYS 14 HA LYS 14 41.546 8.539 2.571
95 HB2 LYS 14 HB2 LYS 14 40.004 11.166 2.680
96 HB3 LYS 14 HB1 LYS 14 39.512 9.694 1.810
97 HG2 LYS 14 HG2 LYS 14 39.637 8.473 4.058
98 HG3 LYS 14 HG1 LYS 14 39.794 10.076 4.816
99 HD2 LYS 14 HD2 LYS 14 37.659 10.765 3.673
100 HD3 LYS 14 HD1 LYS 14 37.481 9.092 3.093
101 HE2 LYS 14 HE2 LYS 14 37.567 8.306 5.476
102 HE3 LYS 14 HE1 LYS 14 37.594 10.007 5.999
103 HZ1 LYS 14 HZ1 LYS 14 35.511 9.732 4.170
104 HZ2 LYS 14 HZ2 LYS 14 35.398 10.014 5.841
105 HZ3 LYS 14 HZ3 LYS 14 35.381 8.425 5.242
106 H HIS 15 HN HIS 15 43.657 8.823 1.494
107 HA HIS 15 HA HIS 15 45.022 9.666 -0.204
108 HB2 HIS 15 HB2 HIS 15 43.820 9.805 -2.402
109 HB3 HIS 15 HB1 HIS 15 43.468 8.322 -1.484
110 HD1 HIS 15 HD1 HIS 15 41.936 11.554 -2.687
111 HD2 HIS 15 HD2 HIS 15 40.819 8.245 -0.346
112 HE1 HIS 15 HE1 HIS 15 39.395 11.628 -2.427
113 H ALA 16 HN ALA 16 45.677 11.633 0.765
114 HA ALA 16 HA ALA 16 45.869 13.944 0.906
115 HB1 ALA 16 HB1 ALA 16 46.547 13.691 -1.403
116 HB2 ALA 16 HB2 ALA 16 45.537 15.150 -1.261
117 HB3 ALA 16 HB3 ALA 16 44.852 13.654 -1.941
118 H GLY 17 HN GLY 17 43.901 13.527 2.433
119 HA2 GLY 17 HA1 GLY 17 41.315 14.440 1.528
120 HA3 GLY 17 HA2 GLY 17 41.839 14.244 3.213
121 H LYS 18 HN LYS 18 41.978 16.398 0.379
122 HA LYS 18 HA LYS 18 42.085 18.707 0.256
123 HB2 LYS 18 HB2 LYS 18 41.304 18.803 3.188
124 HB3 LYS 18 HB1 LYS 18 40.965 19.996 1.911
125 HG2 LYS 18 HG2 LYS 18 39.625 18.158 0.727
126 HG3 LYS 18 HG1 LYS 18 39.769 17.214 2.227
127 HD2 LYS 18 HD2 LYS 18 38.500 19.972 1.926
128 HD3 LYS 18 HD1 LYS 18 37.651 18.442 2.245
129 HE2 LYS 18 HE2 LYS 18 39.483 20.012 4.085
130 HE3 LYS 18 HE1 LYS 18 37.832 19.424 4.392
131 HZ1 LYS 18 HZ1 LYS 18 38.960 17.812 5.469
132 HZ2 LYS 18 HZ2 LYS 18 40.378 18.007 4.553
133 HZ3 LYS 18 HZ3 LYS 18 39.069 17.127 3.920
134 H ALA 19 HN ALA 19 44.485 17.813 0.303
135 HA ALA 19 HA ALA 19 46.675 18.316 0.845
136 HB1 ALA 19 HB1 ALA 19 45.698 20.658 0.582
137 HB2 ALA 19 HB2 ALA 19 47.184 20.525 1.551
138 HB3 ALA 19 HB3 ALA 19 45.609 20.716 2.358
139 H ALA 20 HN ALA 20 45.119 16.589 2.604
140 HA ALA 20 HA ALA 20 45.827 17.246 5.355
141 HB1 ALA 20 HB1 ALA 20 44.858 14.727 3.972
142 HB2 ALA 20 HB2 ALA 20 43.943 15.825 5.034
143 HB3 ALA 20 HB3 ALA 20 45.221 14.788 5.713
144 H LEU 21 HN LEU 21 46.907 14.563 3.212
145 HA LEU 21 HA LEU 21 49.099 13.759 4.777
146 HB2 LEU 21 HB2 LEU 21 48.316 12.447 2.882
147 HB3 LEU 21 HB1 LEU 21 48.738 13.751 1.752
148 HG LEU 21 HG LEU 21 51.124 13.460 2.227
149 HD11 LEU 21 HD11 LEU 21 51.260 12.885 4.528
150 HD12 LEU 21 HD12 LEU 21 51.736 11.387 3.700
151 HD13 LEU 21 HD13 LEU 21 50.092 11.554 4.361
152 HD21 LEU 21 HD21 LEU 21 49.967 11.968 0.556
153 HD22 LEU 21 HD22 LEU 21 49.813 10.736 1.832
154 HD23 LEU 21 HD23 LEU 21 51.425 11.239 1.271
155 H THR 22 HN THR 22 48.821 16.380 2.401
156 HA THR 22 HA THR 22 51.527 17.041 2.049
157 HB THR 22 HB THR 22 49.228 19.017 2.404
158 HG1 THR 22 HG1 THR 22 50.123 18.280 -0.102
159 HG21 THR 22 HG21 THR 22 50.675 20.352 0.784
160 HG22 THR 22 HG22 THR 22 51.974 19.178 1.105
161 HG23 THR 22 HG23 THR 22 51.332 20.182 2.428
162 H HIS 23 HN HIS 23 49.290 18.352 4.546
163 HA HIS 23 HA HIS 23 51.464 19.690 5.951
164 HB2 HIS 23 HB2 HIS 23 48.608 19.039 6.780
165 HB3 HIS 23 HB1 HIS 23 49.724 20.078 7.699
166 HD1 HIS 23 HD1 HIS 23 46.943 20.736 5.909
167 HD2 HIS 23 HD2 HIS 23 50.928 21.897 5.239
168 HE1 HIS 23 HE1 HIS 23 46.892 22.787 4.389
169 H TYR 24 HN TYR 24 49.208 17.166 7.154
170 HA TYR 24 HA TYR 24 51.058 16.352 9.224
171 HB2 TYR 24 HB2 TYR 24 48.618 14.927 8.090
172 HB3 TYR 24 HB1 TYR 24 49.446 14.524 9.613
173 HD1 TYR 24 HD1 TYR 24 47.193 16.888 7.912
174 HD2 TYR 24 HD2 TYR 24 49.412 16.107 11.530
175 HE1 TYR 24 HE1 TYR 24 45.863 18.626 9.103
176 HE2 TYR 24 HE2 TYR 24 48.083 17.846 12.720
177 HH TYR 24 HH TYR 24 45.301 19.306 11.471
178 H LEU 25 HN LEU 25 52.668 14.927 9.210
179 HA LEU 25 HA LEU 25 54.242 13.473 8.309
180 HB2 LEU 25 HB2 LEU 25 51.912 11.986 7.053
181 HB3 LEU 25 HB1 LEU 25 53.408 11.328 7.762
182 HG LEU 25 HG LEU 25 51.118 12.677 9.261
183 HD11 LEU 25 HD11 LEU 25 52.225 9.846 9.468
184 HD12 LEU 25 HD12 LEU 25 50.824 10.284 8.461
185 HD13 LEU 25 HD13 LEU 25 50.750 10.489 10.228
186 HD21 LEU 25 HD21 LEU 25 53.867 11.712 10.158
187 HD22 LEU 25 HD22 LEU 25 52.512 11.920 11.292
188 HD23 LEU 25 HD23 LEU 25 53.140 13.319 10.391
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 61.684 4.019 -6.586
2 H2 GLY 1 HT2 GLY 1 60.514 2.786 -6.566
3 H3 GLY 1 HT3 GLY 1 60.623 3.841 -7.894
4 HA2 GLY 1 HA1 GLY 1 63.105 2.856 -7.743
5 HA3 GLY 1 HA2 GLY 1 62.091 1.474 -7.282
6 H TRP 2 HN TRP 2 63.481 1.137 -9.512
7 HA TRP 2 HA TRP 2 62.485 2.121 -11.947
8 HB2 TRP 2 HB2 TRP 2 64.471 0.657 -11.734
9 HB3 TRP 2 HB1 TRP 2 63.409 -0.717 -11.342
10 HD1 TRP 2 HD1 TRP 2 63.456 1.976 -14.148
11 HE1 TRP 2 HE1 TRP 2 63.020 0.813 -16.432
12 HE3 TRP 2 HE3 TRP 2 62.978 -2.851 -12.515
13 HZ2 TRP 2 HZ2 TRP 2 62.532 -1.861 -17.386
14 HZ3 TRP 2 HZ3 TRP 2 62.528 -4.693 -14.130
15 HH2 TRP 2 HH2 TRP 2 62.304 -4.202 -16.562
16 H GLY 3 HN GLY 3 61.604 -1.089 -10.589
17 HA2 GLY 3 HA1 GLY 3 59.305 -1.359 -12.278
18 HA3 GLY 3 HA2 GLY 3 59.659 -2.317 -10.826
19 H SER 4 HN SER 4 59.836 0.533 -9.481
20 HA SER 4 HA SER 4 58.388 1.688 -8.079
21 HB2 SER 4 HB2 SER 4 56.528 2.761 -9.151
22 HB3 SER 4 HB1 SER 4 57.804 2.603 -10.378
23 HG SER 4 HG SER 4 55.477 1.881 -10.816
24 H PHE 5 HN PHE 5 55.948 1.752 -7.284
25 HA PHE 5 HA PHE 5 54.650 -0.893 -7.282
26 HB2 PHE 5 HB2 PHE 5 55.899 0.216 -4.734
27 HB3 PHE 5 HB1 PHE 5 54.813 -1.191 -4.829
28 HD1 PHE 5 HD1 PHE 5 55.519 -3.235 -6.119
29 HD2 PHE 5 HD2 PHE 5 58.227 0.036 -5.339
30 HE1 PHE 5 HE1 PHE 5 57.454 -4.706 -6.666
31 HE2 PHE 5 HE2 PHE 5 60.161 -1.436 -5.886
32 HZ PHE 5 HZ PHE 5 59.778 -3.824 -6.488
33 H PHE 6 HN PHE 6 52.557 -0.472 -7.381
34 HA PHE 6 HA PHE 6 51.420 2.093 -7.026
35 HB2 PHE 6 HB2 PHE 6 50.072 -0.620 -6.710
36 HB3 PHE 6 HB1 PHE 6 49.249 0.930 -7.009
37 HD1 PHE 6 HD1 PHE 6 51.379 -1.718 -8.466
38 HD2 PHE 6 HD2 PHE 6 49.444 2.073 -9.180
39 HE1 PHE 6 HE1 PHE 6 51.749 -1.991 -10.915
40 HE2 PHE 6 HE2 PHE 6 49.815 1.801 -11.630
41 HZ PHE 6 HZ PHE 6 51.013 -0.206 -12.492
42 H LYS 7 HN LYS 7 49.257 2.004 -5.406
43 HA LYS 7 HA LYS 7 49.938 1.103 -2.717
44 HB2 LYS 7 HB2 LYS 7 50.088 3.378 -1.716
45 HB3 LYS 7 HB1 LYS 7 51.446 3.028 -2.812
46 HG2 LYS 7 HG2 LYS 7 50.166 4.201 -4.652
47 HG3 LYS 7 HG1 LYS 7 48.968 4.691 -3.428
48 HD2 LYS 7 HD2 LYS 7 50.690 5.883 -2.159
49 HD3 LYS 7 HD1 LYS 7 51.950 5.316 -3.281
50 HE2 LYS 7 HE2 LYS 7 51.385 7.564 -3.947
51 HE3 LYS 7 HE1 LYS 7 50.656 6.473 -5.149
52 HZ1 LYS 7 HZ1 LYS 7 49.224 7.589 -2.789
53 HZ2 LYS 7 HZ2 LYS 7 48.550 6.661 -4.043
54 HZ3 LYS 7 HZ3 LYS 7 49.131 8.225 -4.358
55 H LYS 8 HN LYS 8 48.356 2.125 -1.082
56 HA LYS 8 HA LYS 8 45.873 3.195 -2.179
57 HB2 LYS 8 HB2 LYS 8 45.595 0.856 -2.875
58 HB3 LYS 8 HB1 LYS 8 45.925 0.306 -1.215
59 HG2 LYS 8 HG2 LYS 8 43.918 1.324 -0.375
60 HG3 LYS 8 HG1 LYS 8 43.668 2.237 -1.881
61 HD2 LYS 8 HD2 LYS 8 42.142 0.322 -1.833
62 HD3 LYS 8 HD1 LYS 8 43.358 0.081 -3.108
63 HE2 LYS 8 HE2 LYS 8 43.816 -1.041 -0.322
64 HE3 LYS 8 HE1 LYS 8 42.817 -1.919 -1.501
65 HZ1 LYS 8 HZ1 LYS 8 45.089 -1.089 -2.855
66 HZ2 LYS 8 HZ2 LYS 8 44.682 -2.671 -2.389
67 HZ3 LYS 8 HZ3 LYS 8 45.638 -1.703 -1.373
68 H ALA 9 HN ALA 9 46.179 0.863 0.491
69 HA ALA 9 HA ALA 9 45.229 2.929 2.376
70 HB1 ALA 9 HB1 ALA 9 45.115 1.093 3.966
71 HB2 ALA 9 HB2 ALA 9 46.023 0.037 2.860
72 HB3 ALA 9 HB3 ALA 9 44.388 0.586 2.423
73 H ALA 10 HN ALA 10 47.127 4.330 2.153
74 HA ALA 10 HA ALA 10 48.989 3.856 4.315
75 HB1 ALA 10 HB1 ALA 10 51.057 3.752 2.963
76 HB2 ALA 10 HB2 ALA 10 50.072 3.628 1.485
77 HB3 ALA 10 HB3 ALA 10 50.019 2.331 2.703
78 H HIS 11 HN HIS 11 47.696 5.920 4.538
79 HA HIS 11 HA HIS 11 47.572 8.238 4.417
80 HB2 HIS 11 HB2 HIS 11 50.556 7.824 3.979
81 HB3 HIS 11 HB1 HIS 11 49.800 9.397 4.335
82 HD1 HIS 11 HD1 HIS 11 47.617 7.726 6.264
83 HD2 HIS 11 HD2 HIS 11 51.802 7.948 6.603
84 HE1 HIS 11 HE1 HIS 11 48.211 7.239 8.703
85 H ALA 12 HN ALA 12 46.278 8.341 2.537
86 HA ALA 12 HA ALA 12 47.539 9.823 0.370
87 HB1 ALA 12 HB1 ALA 12 47.070 8.255 -1.432
88 HB2 ALA 12 HB2 ALA 12 46.430 7.067 -0.270
89 HB3 ALA 12 HB3 ALA 12 48.158 7.495 -0.247
90 H GLY 13 HN GLY 13 46.099 11.342 -0.068
91 HA2 GLY 13 HA1 GLY 13 44.064 12.364 -0.459
92 HA3 GLY 13 HA2 GLY 13 43.433 10.767 -0.905
93 H LYS 14 HN LYS 14 44.822 11.543 2.251
94 HA LYS 14 HA LYS 14 42.250 12.062 3.512
95 HB2 LYS 14 HB2 LYS 14 42.213 9.544 3.016
96 HB3 LYS 14 HB1 LYS 14 43.533 9.391 4.198
97 HG2 LYS 14 HG2 LYS 14 42.002 10.676 5.834
98 HG3 LYS 14 HG1 LYS 14 40.692 10.381 4.668
99 HD2 LYS 14 HD2 LYS 14 42.395 8.270 6.068
100 HD3 LYS 14 HD1 LYS 14 40.677 8.620 6.372
101 HE2 LYS 14 HE2 LYS 14 41.947 7.371 3.914
102 HE3 LYS 14 HE1 LYS 14 40.636 6.732 4.933
103 HZ1 LYS 14 HZ1 LYS 14 39.364 7.572 3.294
104 HZ2 LYS 14 HZ2 LYS 14 40.536 8.689 2.779
105 HZ3 LYS 14 HZ3 LYS 14 39.566 9.034 4.130
106 H HIS 15 HN HIS 15 42.462 12.742 5.644
107 HA HIS 15 HA HIS 15 43.597 13.744 7.398
108 HB2 HIS 15 HB2 HIS 15 45.421 11.346 6.960
109 HB3 HIS 15 HB1 HIS 15 45.490 12.423 8.374
110 HD1 HIS 15 HD1 HIS 15 43.738 9.477 7.004
111 HD2 HIS 15 HD2 HIS 15 42.908 12.445 9.865
112 HE1 HIS 15 HE1 HIS 15 41.819 8.619 8.457
113 H ALA 16 HN ALA 16 46.561 12.400 5.983
114 HA ALA 16 HA ALA 16 47.404 15.191 5.197
115 HB1 ALA 16 HB1 ALA 16 48.463 14.566 7.325
116 HB2 ALA 16 HB2 ALA 16 49.661 14.638 6.011
117 HB3 ALA 16 HB3 ALA 16 49.069 13.063 6.590
118 H GLY 17 HN GLY 17 46.326 13.904 3.225
119 HA2 GLY 17 HA1 GLY 17 48.139 12.027 1.910
120 HA3 GLY 17 HA2 GLY 17 46.664 12.744 1.232
121 H LYS 18 HN LYS 18 49.879 13.891 2.371
122 HA LYS 18 HA LYS 18 51.357 15.384 1.387
123 HB2 LYS 18 HB2 LYS 18 50.183 14.581 -1.296
124 HB3 LYS 18 HB1 LYS 18 51.849 15.078 -0.918
125 HG2 LYS 18 HG2 LYS 18 50.484 12.515 0.027
126 HG3 LYS 18 HG1 LYS 18 51.725 12.637 -1.243
127 HD2 LYS 18 HD2 LYS 18 53.228 13.731 0.554
128 HD3 LYS 18 HD1 LYS 18 52.031 13.156 1.740
129 HE2 LYS 18 HE2 LYS 18 52.318 10.830 0.822
130 HE3 LYS 18 HE1 LYS 18 53.626 11.446 -0.217
131 HZ1 LYS 18 HZ1 LYS 18 54.922 10.983 1.527
132 HZ2 LYS 18 HZ2 LYS 18 53.623 10.887 2.617
133 HZ3 LYS 18 HZ3 LYS 18 54.297 12.396 2.224
134 H ALA 19 HN ALA 19 50.027 17.081 2.386
135 HA ALA 19 HA ALA 19 48.962 19.134 2.271
136 HB1 ALA 19 HB1 ALA 19 49.402 20.513 0.370
137 HB2 ALA 19 HB2 ALA 19 49.633 19.100 -0.686
138 HB3 ALA 19 HB3 ALA 19 50.826 19.469 0.584
139 H ALA 20 HN ALA 20 47.365 16.773 1.967
140 HA ALA 20 HA ALA 20 45.411 17.301 -0.164
141 HB1 ALA 20 HB1 ALA 20 45.808 15.014 0.496
142 HB2 ALA 20 HB2 ALA 20 44.150 15.454 0.973
143 HB3 ALA 20 HB3 ALA 20 45.443 15.391 2.196
144 H LEU 21 HN LEU 21 44.469 16.604 3.168
145 HA LEU 21 HA LEU 21 42.420 18.697 3.044
146 HB2 LEU 21 HB2 LEU 21 43.211 17.117 5.513
147 HB3 LEU 21 HB1 LEU 21 41.618 17.782 5.076
148 HG LEU 21 HG LEU 21 43.073 15.483 3.694
149 HD11 LEU 21 HD11 LEU 21 41.189 14.142 4.531
150 HD12 LEU 21 HD12 LEU 21 40.462 15.590 5.269
151 HD13 LEU 21 HD13 LEU 21 42.005 14.954 5.887
152 HD21 LEU 21 HD21 LEU 21 40.504 16.984 3.033
153 HD22 LEU 21 HD22 LEU 21 40.816 15.332 2.446
154 HD23 LEU 21 HD23 LEU 21 41.895 16.663 1.970
155 H THR 22 HN THR 22 45.413 19.351 3.051
156 HA THR 22 HA THR 22 46.823 20.903 4.055
157 HB THR 22 HB THR 22 45.710 22.992 4.872
158 HG1 THR 22 HG1 THR 22 43.227 22.479 4.180
159 HG21 THR 22 HG21 THR 22 44.504 21.839 2.322
160 HG22 THR 22 HG22 THR 22 46.113 22.590 2.449
161 HG23 THR 22 HG23 THR 22 44.650 23.566 2.729
162 H HIS 23 HN HIS 23 47.226 19.018 5.607
163 HA HIS 23 HA HIS 23 46.089 18.951 8.207
164 HB2 HIS 23 HB2 HIS 23 48.210 17.817 8.868
165 HB3 HIS 23 HB1 HIS 23 47.526 17.164 7.359
166 HD1 HIS 23 HD1 HIS 23 50.424 19.139 8.741
167 HD2 HIS 23 HD2 HIS 23 48.994 17.880 4.990
168 HE1 HIS 23 HE1 HIS 23 52.302 19.505 7.047
169 H TYR 24 HN TYR 24 45.922 20.603 9.578
170 HA TYR 24 HA TYR 24 47.707 22.875 9.518
171 HB2 TYR 24 HB2 TYR 24 46.510 23.596 11.531
172 HB3 TYR 24 HB1 TYR 24 45.355 22.976 10.327
173 HD1 TYR 24 HD1 TYR 24 44.234 20.807 10.644
174 HD2 TYR 24 HD2 TYR 24 46.996 22.348 13.582
175 HE1 TYR 24 HE1 TYR 24 43.416 19.128 12.296
176 HE2 TYR 24 HE2 TYR 24 46.178 20.670 15.232
177 HH TYR 24 HH TYR 24 43.852 18.161 14.333
178 H LEU 25 HN LEU 25 49.431 23.430 10.783
179 HA LEU 25 HA LEU 25 50.944 21.246 11.938
180 HB2 LEU 25 HB2 LEU 25 51.454 24.199 12.434
181 HB3 LEU 25 HB1 LEU 25 52.630 22.864 12.364
182 HG LEU 25 HG LEU 25 51.001 23.977 10.037
183 HD11 LEU 25 HD11 LEU 25 53.181 24.684 9.177
184 HD12 LEU 25 HD12 LEU 25 54.005 23.927 10.562
185 HD13 LEU 25 HD13 LEU 25 52.956 25.342 10.815
186 HD21 LEU 25 HD21 LEU 25 51.204 21.626 9.629
187 HD22 LEU 25 HD22 LEU 25 52.858 21.574 10.284
188 HD23 LEU 25 HD23 LEU 25 52.541 22.365 8.721
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 57.743 5.197 -8.460
2 H2 GLY 1 HT2 GLY 1 57.760 6.826 -8.942
3 H3 GLY 1 HT3 GLY 1 57.974 6.417 -7.306
4 HA2 GLY 1 HA1 GLY 1 59.795 5.689 -9.504
5 HA3 GLY 1 HA2 GLY 1 60.029 7.051 -8.393
6 H TRP 2 HN TRP 2 58.488 4.813 -6.574
7 HA TRP 2 HA TRP 2 60.638 2.933 -6.054
8 HB2 TRP 2 HB2 TRP 2 61.658 4.994 -5.099
9 HB3 TRP 2 HB1 TRP 2 60.247 5.172 -4.029
10 HD1 TRP 2 HD1 TRP 2 62.672 2.264 -4.918
11 HE1 TRP 2 HE1 TRP 2 63.336 1.029 -2.728
12 HE3 TRP 2 HE3 TRP 2 59.971 5.043 -1.574
13 HZ2 TRP 2 HZ2 TRP 2 62.754 1.245 0.083
14 HZ3 TRP 2 HZ3 TRP 2 60.041 4.511 0.858
15 HH2 TRP 2 HH2 TRP 2 61.428 2.617 1.689
16 H GLY 3 HN GLY 3 60.140 1.467 -4.308
17 HA2 GLY 3 HA1 GLY 3 57.464 0.661 -4.217
18 HA3 GLY 3 HA2 GLY 3 58.681 0.238 -2.998
19 H SER 4 HN SER 4 55.962 2.250 -3.821
20 HA SER 4 HA SER 4 55.410 2.770 -1.026
21 HB2 SER 4 HB2 SER 4 55.679 5.195 -1.020
22 HB3 SER 4 HB1 SER 4 57.238 4.429 -1.399
23 HG SER 4 HG SER 4 56.076 4.718 -3.696
24 H PHE 5 HN PHE 5 54.959 4.028 -4.356
25 HA PHE 5 HA PHE 5 52.289 4.962 -3.963
26 HB2 PHE 5 HB2 PHE 5 52.125 4.735 -6.470
27 HB3 PHE 5 HB1 PHE 5 53.555 5.636 -5.912
28 HD1 PHE 5 HD1 PHE 5 55.800 4.691 -6.099
29 HD2 PHE 5 HD2 PHE 5 52.338 2.439 -7.350
30 HE1 PHE 5 HE1 PHE 5 57.282 3.065 -7.269
31 HE2 PHE 5 HE2 PHE 5 53.820 0.813 -8.521
32 HZ PHE 5 HZ PHE 5 56.294 1.109 -8.456
33 H PHE 6 HN PHE 6 50.681 3.805 -5.852
34 HA PHE 6 HA PHE 6 50.567 0.904 -5.496
35 HB2 PHE 6 HB2 PHE 6 49.731 1.558 -3.294
36 HB3 PHE 6 HB1 PHE 6 48.559 2.673 -4.036
37 HD1 PHE 6 HD1 PHE 6 46.412 1.884 -4.690
38 HD2 PHE 6 HD2 PHE 6 49.589 -0.945 -3.953
39 HE1 PHE 6 HE1 PHE 6 44.792 0.004 -4.920
40 HE2 PHE 6 HE2 PHE 6 47.967 -2.824 -4.184
41 HZ PHE 6 HZ PHE 6 45.582 -2.350 -4.722
42 H LYS 7 HN LYS 7 47.778 3.098 -5.632
43 HA LYS 7 HA LYS 7 47.648 3.183 -8.522
44 HB2 LYS 7 HB2 LYS 7 47.140 0.780 -8.227
45 HB3 LYS 7 HB1 LYS 7 45.805 1.201 -7.127
46 HG2 LYS 7 HG2 LYS 7 44.588 2.313 -8.881
47 HG3 LYS 7 HG1 LYS 7 45.986 2.251 -9.980
48 HD2 LYS 7 HD2 LYS 7 45.827 -0.146 -10.187
49 HD3 LYS 7 HD1 LYS 7 44.635 -0.241 -8.867
50 HE2 LYS 7 HE2 LYS 7 43.561 -0.418 -11.112
51 HE3 LYS 7 HE1 LYS 7 43.004 1.015 -10.216
52 HZ1 LYS 7 HZ1 LYS 7 45.355 1.363 -11.907
53 HZ2 LYS 7 HZ2 LYS 7 44.049 2.411 -11.626
54 HZ3 LYS 7 HZ3 LYS 7 43.884 1.118 -12.715
55 H LYS 8 HN LYS 8 45.051 2.585 -6.130
56 HA LYS 8 HA LYS 8 43.511 4.840 -6.997
57 HB2 LYS 8 HB2 LYS 8 43.464 3.326 -4.356
58 HB3 LYS 8 HB1 LYS 8 42.208 4.457 -4.913
59 HG2 LYS 8 HG2 LYS 8 41.816 3.049 -6.911
60 HG3 LYS 8 HG1 LYS 8 43.076 1.916 -6.362
61 HD2 LYS 8 HD2 LYS 8 41.795 1.437 -4.318
62 HD3 LYS 8 HD1 LYS 8 40.553 2.620 -4.798
63 HE2 LYS 8 HE2 LYS 8 41.311 0.103 -6.346
64 HE3 LYS 8 HE1 LYS 8 39.838 0.323 -5.370
65 HZ1 LYS 8 HZ1 LYS 8 39.511 2.383 -6.871
66 HZ2 LYS 8 HZ2 LYS 8 39.132 0.846 -7.487
67 HZ3 LYS 8 HZ3 LYS 8 40.589 1.602 -7.923
68 H ALA 9 HN ALA 9 44.720 4.490 -3.657
69 HA ALA 9 HA ALA 9 44.752 7.290 -3.158
70 HB1 ALA 9 HB1 ALA 9 44.734 5.729 -1.330
71 HB2 ALA 9 HB2 ALA 9 46.249 6.659 -1.228
72 HB3 ALA 9 HB3 ALA 9 46.264 4.998 -1.867
73 H ALA 10 HN ALA 10 47.133 8.027 -2.104
74 HA ALA 10 HA ALA 10 49.356 7.527 -3.909
75 HB1 ALA 10 HB1 ALA 10 47.845 8.976 -5.317
76 HB2 ALA 10 HB2 ALA 10 49.462 9.658 -5.015
77 HB3 ALA 10 HB3 ALA 10 48.056 10.263 -4.105
78 H HIS 11 HN HIS 11 47.756 9.497 -1.451
79 HA HIS 11 HA HIS 11 50.063 10.912 -0.526
80 HB2 HIS 11 HB2 HIS 11 47.576 9.986 0.966
81 HB3 HIS 11 HB1 HIS 11 48.766 11.151 1.596
82 HD1 HIS 11 HD1 HIS 11 48.525 13.558 0.902
83 HD2 HIS 11 HD2 HIS 11 46.188 10.958 -1.435
84 HE1 HIS 11 HE1 HIS 11 47.093 15.003 -0.643
85 H ALA 12 HN ALA 12 51.922 9.917 -0.031
86 HA ALA 12 HA ALA 12 52.216 7.255 0.855
87 HB1 ALA 12 HB1 ALA 12 53.965 9.646 1.532
88 HB2 ALA 12 HB2 ALA 12 54.064 8.677 0.042
89 HB3 ALA 12 HB3 ALA 12 54.446 7.935 1.614
90 H GLY 13 HN GLY 13 50.800 9.871 2.477
91 HA2 GLY 13 HA1 GLY 13 51.597 9.197 5.181
92 HA3 GLY 13 HA2 GLY 13 50.245 10.241 4.700
93 H LYS 14 HN LYS 14 48.182 9.415 4.487
94 HA LYS 14 HA LYS 14 47.690 6.542 4.688
95 HB2 LYS 14 HB2 LYS 14 48.298 7.243 7.068
96 HB3 LYS 14 HB1 LYS 14 46.820 8.236 7.059
97 HG2 LYS 14 HG2 LYS 14 45.554 6.112 6.374
98 HG3 LYS 14 HG1 LYS 14 47.042 5.214 6.757
99 HD2 LYS 14 HD2 LYS 14 45.535 7.034 8.689
100 HD3 LYS 14 HD1 LYS 14 45.466 5.257 8.686
101 HE2 LYS 14 HE2 LYS 14 48.069 5.363 8.897
102 HE3 LYS 14 HE1 LYS 14 47.808 7.059 9.373
103 HZ1 LYS 14 HZ1 LYS 14 47.312 6.340 11.392
104 HZ2 LYS 14 HZ2 LYS 14 47.459 4.718 10.909
105 HZ3 LYS 14 HZ3 LYS 14 45.965 5.514 10.774
106 H HIS 15 HN HIS 15 46.832 7.810 2.659
107 HA HIS 15 HA HIS 15 44.970 8.520 1.477
108 HB2 HIS 15 HB2 HIS 15 44.066 6.404 2.487
109 HB3 HIS 15 HB1 HIS 15 43.400 7.378 3.820
110 HD1 HIS 15 HD1 HIS 15 43.260 9.423 0.855
111 HD2 HIS 15 HD2 HIS 15 40.938 6.245 2.332
112 HE1 HIS 15 HE1 HIS 15 40.988 9.539 -0.305
113 H ALA 16 HN ALA 16 45.833 10.715 2.109
114 HA ALA 16 HA ALA 16 45.466 12.873 2.888
115 HB1 ALA 16 HB1 ALA 16 43.511 12.486 1.349
116 HB2 ALA 16 HB2 ALA 16 43.223 13.702 2.617
117 HB3 ALA 16 HB3 ALA 16 42.543 12.064 2.780
118 H GLY 17 HN GLY 17 46.365 11.671 4.962
119 HA2 GLY 17 HA1 GLY 17 44.478 11.395 7.156
120 HA3 GLY 17 HA2 GLY 17 46.249 11.391 7.267
121 H LYS 18 HN LYS 18 43.347 13.416 7.111
122 HA LYS 18 HA LYS 18 42.991 15.594 7.827
123 HB2 LYS 18 HB2 LYS 18 45.444 15.205 9.579
124 HB3 LYS 18 HB1 LYS 18 44.044 16.266 9.871
125 HG2 LYS 18 HG2 LYS 18 42.573 14.258 10.009
126 HG3 LYS 18 HG1 LYS 18 44.000 13.217 9.783
127 HD2 LYS 18 HD2 LYS 18 45.012 14.089 11.838
128 HD3 LYS 18 HD1 LYS 18 43.662 15.232 12.049
129 HE2 LYS 18 HE2 LYS 18 42.083 13.406 12.349
130 HE3 LYS 18 HE1 LYS 18 43.331 12.203 11.945
131 HZ1 LYS 18 HZ1 LYS 18 44.606 13.182 13.893
132 HZ2 LYS 18 HZ2 LYS 18 43.242 12.242 14.268
133 HZ3 LYS 18 HZ3 LYS 18 43.156 13.937 14.345
134 H ALA 19 HN ALA 19 44.112 15.614 5.442
135 HA ALA 19 HA ALA 19 45.164 17.109 4.022
136 HB1 ALA 19 HB1 ALA 19 46.434 18.628 6.306
137 HB2 ALA 19 HB2 ALA 19 44.678 18.733 6.045
138 HB3 ALA 19 HB3 ALA 19 45.798 19.229 4.756
139 H ALA 20 HN ALA 20 46.302 14.817 4.096
140 HA ALA 20 HA ALA 20 48.290 13.624 3.961
141 HB1 ALA 20 HB1 ALA 20 50.090 14.769 2.807
142 HB2 ALA 20 HB2 ALA 20 49.418 16.354 3.261
143 HB3 ALA 20 HB3 ALA 20 48.531 15.301 2.132
144 H LEU 21 HN LEU 21 47.723 14.203 6.586
145 HA LEU 21 HA LEU 21 48.696 14.583 8.683
146 HB2 LEU 21 HB2 LEU 21 51.086 13.319 7.287
147 HB3 LEU 21 HB1 LEU 21 50.755 13.316 9.031
148 HG LEU 21 HG LEU 21 48.819 12.112 7.004
149 HD11 LEU 21 HD11 LEU 21 51.027 10.703 8.568
150 HD12 LEU 21 HD12 LEU 21 51.032 10.993 6.811
151 HD13 LEU 21 HD13 LEU 21 49.812 9.917 7.533
152 HD21 LEU 21 HD21 LEU 21 49.203 11.891 10.026
153 HD22 LEU 21 HD22 LEU 21 48.188 10.764 9.096
154 HD23 LEU 21 HD23 LEU 21 47.776 12.490 9.149
155 H THR 22 HN THR 22 49.047 16.796 6.700
156 HA THR 22 HA THR 22 50.947 18.334 8.281
157 HB THR 22 HB THR 22 51.718 17.731 5.391
158 HG1 THR 22 HG1 THR 22 53.655 17.011 6.752
159 HG21 THR 22 HG21 THR 22 52.309 19.995 5.921
160 HG22 THR 22 HG22 THR 22 53.793 19.035 6.117
161 HG23 THR 22 HG23 THR 22 52.865 19.540 7.549
162 H HIS 23 HN HIS 23 49.810 18.296 4.863
163 HA HIS 23 HA HIS 23 47.975 20.530 5.391
164 HB2 HIS 23 HB2 HIS 23 50.529 20.945 3.788
165 HB3 HIS 23 HB1 HIS 23 49.110 22.011 3.662
166 HD1 HIS 23 HD1 HIS 23 48.191 22.387 6.489
167 HD2 HIS 23 HD2 HIS 23 52.263 22.328 5.440
168 HE1 HIS 23 HE1 HIS 23 49.475 23.577 8.351
169 H TYR 24 HN TYR 24 47.224 21.405 3.090
170 HA TYR 24 HA TYR 24 45.949 19.188 1.821
171 HB2 TYR 24 HB2 TYR 24 46.414 22.034 0.849
172 HB3 TYR 24 HB1 TYR 24 45.314 20.866 0.076
173 HD1 TYR 24 HD1 TYR 24 43.203 20.242 1.109
174 HD2 TYR 24 HD2 TYR 24 45.951 22.880 3.138
175 HE1 TYR 24 HE1 TYR 24 41.427 20.825 2.756
176 HE2 TYR 24 HE2 TYR 24 44.175 23.463 4.786
177 HH TYR 24 HH TYR 24 41.853 23.293 5.195
178 H LEU 25 HN LEU 25 49.047 20.737 1.295
179 HA LEU 25 HA LEU 25 49.439 19.766 -1.408
180 HB2 LEU 25 HB2 LEU 25 51.639 20.352 0.602
181 HB3 LEU 25 HB1 LEU 25 51.683 20.517 -1.170
182 HG LEU 25 HG LEU 25 50.021 22.191 0.765
183 HD11 LEU 25 HD11 LEU 25 52.333 22.936 -1.082
184 HD12 LEU 25 HD12 LEU 25 52.476 22.689 0.675
185 HD13 LEU 25 HD13 LEU 25 51.481 24.022 0.041
186 HD21 LEU 25 HD21 LEU 25 50.141 22.058 -2.277
187 HD22 LEU 25 HD22 LEU 25 49.593 23.522 -1.423
188 HD23 LEU 25 HD23 LEU 25 48.709 21.993 -1.223
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 54.967 -0.386 -14.760
2 H2 GLY 1 HT2 GLY 1 56.179 -0.597 -13.587
3 H3 GLY 1 HT3 GLY 1 56.120 0.830 -14.507
4 HA2 GLY 1 HA1 GLY 1 54.006 1.391 -13.539
5 HA3 GLY 1 HA2 GLY 1 54.111 -0.081 -12.555
6 H TRP 2 HN TRP 2 53.785 1.775 -10.926
7 HA TRP 2 HA TRP 2 56.122 3.410 -10.337
8 HB2 TRP 2 HB2 TRP 2 53.796 4.050 -9.708
9 HB3 TRP 2 HB1 TRP 2 53.757 2.689 -8.561
10 HD1 TRP 2 HD1 TRP 2 54.839 3.039 -6.259
11 HE1 TRP 2 HE1 TRP 2 56.138 4.963 -5.086
12 HE3 TRP 2 HE3 TRP 2 55.561 6.104 -10.297
13 HZ2 TRP 2 HZ2 TRP 2 57.317 7.482 -5.832
14 HZ3 TRP 2 HZ3 TRP 2 56.775 8.262 -10.042
15 HH2 TRP 2 HH2 TRP 2 57.653 8.953 -7.816
16 H GLY 3 HN GLY 3 57.255 3.322 -8.224
17 HA2 GLY 3 HA1 GLY 3 58.359 0.657 -7.849
18 HA3 GLY 3 HA2 GLY 3 58.799 2.128 -6.960
19 H SER 4 HN SER 4 55.524 0.804 -7.262
20 HA SER 4 HA SER 4 54.894 1.034 -4.533
21 HB2 SER 4 HB2 SER 4 52.998 -0.348 -4.990
22 HB3 SER 4 HB1 SER 4 53.335 0.536 -6.494
23 HG SER 4 HG SER 4 54.798 -1.566 -6.695
24 H PHE 5 HN PHE 5 56.513 0.340 -3.150
25 HA PHE 5 HA PHE 5 57.881 -2.132 -3.292
26 HB2 PHE 5 HB2 PHE 5 57.028 -0.683 -0.755
27 HB3 PHE 5 HB1 PHE 5 58.397 -1.804 -0.942
28 HD1 PHE 5 HD1 PHE 5 57.245 1.633 -1.348
29 HD2 PHE 5 HD2 PHE 5 60.304 -1.185 -2.504
30 HE1 PHE 5 HE1 PHE 5 58.708 3.517 -2.066
31 HE2 PHE 5 HE2 PHE 5 61.767 0.700 -3.224
32 HZ PHE 5 HZ PHE 5 60.974 3.051 -2.994
33 H PHE 6 HN PHE 6 54.902 -1.299 -1.463
34 HA PHE 6 HA PHE 6 53.762 -3.921 -1.931
35 HB2 PHE 6 HB2 PHE 6 55.466 -4.547 -0.235
36 HB3 PHE 6 HB1 PHE 6 54.766 -3.353 0.886
37 HD1 PHE 6 HD1 PHE 6 54.321 -6.640 -0.723
38 HD2 PHE 6 HD2 PHE 6 52.486 -3.666 1.811
39 HE1 PHE 6 HE1 PHE 6 52.617 -8.307 -0.001
40 HE2 PHE 6 HE2 PHE 6 50.781 -5.334 2.533
41 HZ PHE 6 HZ PHE 6 50.804 -7.634 1.571
42 H LYS 7 HN LYS 7 53.881 -1.152 0.344
43 HA LYS 7 HA LYS 7 51.022 -1.284 0.886
44 HB2 LYS 7 HB2 LYS 7 53.047 0.942 1.353
45 HB3 LYS 7 HB1 LYS 7 51.397 0.887 2.020
46 HG2 LYS 7 HG2 LYS 7 51.974 -1.312 3.108
47 HG3 LYS 7 HG1 LYS 7 53.651 -1.096 2.551
48 HD2 LYS 7 HD2 LYS 7 53.892 0.940 3.850
49 HD3 LYS 7 HD1 LYS 7 52.162 0.934 4.268
50 HE2 LYS 7 HE2 LYS 7 53.552 0.061 6.136
51 HE3 LYS 7 HE1 LYS 7 52.453 -1.187 5.501
52 HZ1 LYS 7 HZ1 LYS 7 54.202 -2.211 4.339
53 HZ2 LYS 7 HZ2 LYS 7 54.846 -1.863 5.873
54 HZ3 LYS 7 HZ3 LYS 7 55.245 -0.888 4.540
55 H LYS 8 HN LYS 8 49.435 0.291 0.317
56 HA LYS 8 HA LYS 8 49.650 1.086 -2.503
57 HB2 LYS 8 HB2 LYS 8 47.435 1.726 -0.520
58 HB3 LYS 8 HB1 LYS 8 47.331 1.703 -2.297
59 HG2 LYS 8 HG2 LYS 8 47.832 -0.730 -2.289
60 HG3 LYS 8 HG1 LYS 8 47.906 -0.703 -0.511
61 HD2 LYS 8 HD2 LYS 8 45.531 0.225 -0.533
62 HD3 LYS 8 HD1 LYS 8 45.493 -0.130 -2.277
63 HE2 LYS 8 HE2 LYS 8 45.935 -2.128 -0.016
64 HE3 LYS 8 HE1 LYS 8 44.512 -2.013 -1.079
65 HZ1 LYS 8 HZ1 LYS 8 46.231 -3.741 -1.678
66 HZ2 LYS 8 HZ2 LYS 8 47.253 -2.460 -2.126
67 HZ3 LYS 8 HZ3 LYS 8 45.771 -2.689 -2.926
68 H ALA 9 HN ALA 9 51.371 2.621 -2.433
69 HA ALA 9 HA ALA 9 51.007 5.072 -0.827
70 HB1 ALA 9 HB1 ALA 9 53.112 5.761 -1.806
71 HB2 ALA 9 HB2 ALA 9 53.020 4.460 -3.019
72 HB3 ALA 9 HB3 ALA 9 53.245 4.060 -1.299
73 H ALA 10 HN ALA 10 49.321 4.003 -3.330
74 HA ALA 10 HA ALA 10 49.557 6.012 -5.347
75 HB1 ALA 10 HB1 ALA 10 47.202 5.345 -5.912
76 HB2 ALA 10 HB2 ALA 10 47.193 4.332 -4.448
77 HB3 ALA 10 HB3 ALA 10 48.331 3.979 -5.771
78 H HIS 11 HN HIS 11 48.043 6.012 -2.184
79 HA HIS 11 HA HIS 11 46.214 8.167 -2.561
80 HB2 HIS 11 HB2 HIS 11 47.804 7.386 -0.084
81 HB3 HIS 11 HB1 HIS 11 46.380 8.455 -0.105
82 HD1 HIS 11 HD1 HIS 11 47.374 4.873 -1.067
83 HD2 HIS 11 HD2 HIS 11 43.980 7.084 0.063
84 HE1 HIS 11 HE1 HIS 11 45.434 3.225 -0.838
85 H ALA 12 HN ALA 12 46.722 10.071 -3.431
86 HA ALA 12 HA ALA 12 49.393 11.237 -3.097
87 HB1 ALA 12 HB1 ALA 12 46.885 12.515 -4.234
88 HB2 ALA 12 HB2 ALA 12 47.972 11.455 -5.163
89 HB3 ALA 12 HB3 ALA 12 48.572 13.000 -4.515
90 H GLY 13 HN GLY 13 49.085 13.872 -2.762
91 HA2 GLY 13 HA1 GLY 13 48.582 14.067 0.097
92 HA3 GLY 13 HA2 GLY 13 49.078 15.378 -0.992
93 H LYS 14 HN LYS 14 46.285 13.376 -0.014
94 HA LYS 14 HA LYS 14 44.586 15.697 0.241
95 HB2 LYS 14 HB2 LYS 14 44.741 15.447 -2.289
96 HB3 LYS 14 HB1 LYS 14 43.903 13.888 -2.105
97 HG2 LYS 14 HG2 LYS 14 42.050 15.077 -0.895
98 HG3 LYS 14 HG1 LYS 14 42.860 16.621 -1.231
99 HD2 LYS 14 HD2 LYS 14 42.181 14.702 -3.496
100 HD3 LYS 14 HD1 LYS 14 40.956 15.817 -2.854
101 HE2 LYS 14 HE2 LYS 14 43.669 16.606 -4.014
102 HE3 LYS 14 HE1 LYS 14 42.085 16.834 -4.784
103 HZ1 LYS 14 HZ1 LYS 14 42.155 18.821 -3.790
104 HZ2 LYS 14 HZ2 LYS 14 43.352 18.357 -2.677
105 HZ3 LYS 14 HZ3 LYS 14 41.722 17.986 -2.378
106 H HIS 15 HN HIS 15 43.940 12.393 -1.008
107 HA HIS 15 HA HIS 15 41.883 11.933 0.975
108 HB2 HIS 15 HB2 HIS 15 43.400 10.020 -0.845
109 HB3 HIS 15 HB1 HIS 15 41.977 9.579 0.130
110 HD1 HIS 15 HD1 HIS 15 40.411 12.316 -0.312
111 HD2 HIS 15 HD2 HIS 15 42.152 10.002 -3.360
112 HE1 HIS 15 HE1 HIS 15 39.172 12.857 -2.481
113 H ALA 16 HN ALA 16 45.339 11.562 0.899
114 HA ALA 16 HA ALA 16 45.640 9.505 2.858
115 HB1 ALA 16 HB1 ALA 16 47.492 11.881 2.511
116 HB2 ALA 16 HB2 ALA 16 47.412 10.543 1.340
117 HB3 ALA 16 HB3 ALA 16 47.899 10.226 3.021
118 H GLY 17 HN GLY 17 45.530 13.079 3.185
119 HA2 GLY 17 HA1 GLY 17 44.753 14.337 4.981
120 HA3 GLY 17 HA2 GLY 17 44.265 12.841 5.800
121 H LYS 18 HN LYS 18 46.760 11.509 5.837
122 HA LYS 18 HA LYS 18 47.917 12.778 8.171
123 HB2 LYS 18 HB2 LYS 18 49.567 10.937 8.054
124 HB3 LYS 18 HB1 LYS 18 47.900 10.334 7.886
125 HG2 LYS 18 HG2 LYS 18 48.238 10.487 5.350
126 HG3 LYS 18 HG1 LYS 18 49.965 10.753 5.686
127 HD2 LYS 18 HD2 LYS 18 48.354 8.352 6.665
128 HD3 LYS 18 HD1 LYS 18 49.411 8.345 5.235
129 HE2 LYS 18 HE2 LYS 18 51.280 9.169 6.845
130 HE3 LYS 18 HE1 LYS 18 50.185 8.661 8.154
131 HZ1 LYS 18 HZ1 LYS 18 50.776 6.823 5.923
132 HZ2 LYS 18 HZ2 LYS 18 50.303 6.467 7.515
133 HZ3 LYS 18 HZ3 LYS 18 51.887 6.992 7.194
134 H ALA 19 HN ALA 19 48.044 13.861 5.148
135 HA ALA 19 HA ALA 19 50.564 15.282 5.599
136 HB1 ALA 19 HB1 ALA 19 51.598 14.528 3.454
137 HB2 ALA 19 HB2 ALA 19 50.334 13.280 3.325
138 HB3 ALA 19 HB3 ALA 19 51.492 13.239 4.676
139 H ALA 20 HN ALA 20 47.722 15.859 5.251
140 HA ALA 20 HA ALA 20 48.016 17.980 3.267
141 HB1 ALA 20 HB1 ALA 20 47.499 16.223 1.699
142 HB2 ALA 20 HB2 ALA 20 46.043 17.228 1.899
143 HB3 ALA 20 HB3 ALA 20 46.153 15.647 2.711
144 H LEU 21 HN LEU 21 45.072 16.187 4.195
145 HA LEU 21 HA LEU 21 43.864 18.644 5.216
146 HB2 LEU 21 HB2 LEU 21 42.844 15.810 5.617
147 HB3 LEU 21 HB1 LEU 21 41.907 17.323 5.559
148 HG LEU 21 HG LEU 21 43.429 16.042 3.246
149 HD11 LEU 21 HD11 LEU 21 41.275 14.951 3.880
150 HD12 LEU 21 HD12 LEU 21 41.185 15.737 2.285
151 HD13 LEU 21 HD13 LEU 21 40.450 16.519 3.705
152 HD21 LEU 21 HD21 LEU 21 41.978 18.705 3.544
153 HD22 LEU 21 HD22 LEU 21 42.172 17.924 1.956
154 HD23 LEU 21 HD23 LEU 21 43.606 18.396 2.895
155 H THR 22 HN THR 22 45.730 18.996 6.759
156 HA THR 22 HA THR 22 44.813 18.301 9.425
157 HB THR 22 HB THR 22 47.491 17.113 8.574
158 HG1 THR 22 HG1 THR 22 45.115 15.770 9.350
159 HG21 THR 22 HG21 THR 22 47.300 16.052 10.864
160 HG22 THR 22 HG22 THR 22 45.903 17.113 11.172
161 HG23 THR 22 HG23 THR 22 47.513 17.819 10.889
162 H HIS 23 HN HIS 23 48.017 18.912 7.906
163 HA HIS 23 HA HIS 23 48.928 20.762 9.819
164 HB2 HIS 23 HB2 HIS 23 50.435 21.598 8.023
165 HB3 HIS 23 HB1 HIS 23 50.381 19.819 8.089
166 HD1 HIS 23 HD1 HIS 23 48.430 22.618 6.289
167 HD2 HIS 23 HD2 HIS 23 49.868 18.726 5.612
168 HE1 HIS 23 HE1 HIS 23 47.896 22.021 3.863
169 H TYR 24 HN TYR 24 49.381 23.140 9.377
170 HA TYR 24 HA TYR 24 47.465 24.595 7.744
171 HB2 TYR 24 HB2 TYR 24 46.035 23.820 9.688
172 HB3 TYR 24 HB1 TYR 24 47.079 24.786 10.757
173 HD1 TYR 24 HD1 TYR 24 46.732 27.138 10.982
174 HD2 TYR 24 HD2 TYR 24 44.892 25.006 7.711
175 HE1 TYR 24 HE1 TYR 24 45.432 29.178 10.384
176 HE2 TYR 24 HE2 TYR 24 43.591 27.045 7.115
177 HH TYR 24 HH TYR 24 43.875 30.047 9.032
178 H LEU 25 HN LEU 25 48.023 26.738 7.513
179 HA LEU 25 HA LEU 25 50.713 27.424 8.345
180 HB2 LEU 25 HB2 LEU 25 49.899 28.247 6.230
181 HB3 LEU 25 HB1 LEU 25 48.481 28.994 6.996
182 HG LEU 25 HG LEU 25 49.855 30.659 8.098
183 HD11 LEU 25 HD11 LEU 25 51.802 29.463 8.789
184 HD12 LEU 25 HD12 LEU 25 52.401 30.632 7.589
185 HD13 LEU 25 HD13 LEU 25 52.164 28.928 7.131
186 HD21 LEU 25 HD21 LEU 25 50.849 31.792 6.151
187 HD22 LEU 25 HD22 LEU 25 49.305 31.032 5.695
188 HD23 LEU 25 HD23 LEU 25 50.845 30.265 5.239
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 54.505 -4.815 -5.888
2 H2 GLY 1 HT2 GLY 1 54.912 -4.191 -4.361
3 H3 GLY 1 HT3 GLY 1 56.106 -4.899 -5.339
4 HA2 GLY 1 HA1 GLY 1 54.737 -2.812 -6.673
5 HA3 GLY 1 HA2 GLY 1 55.492 -2.270 -5.161
6 H TRP 2 HN TRP 2 57.443 -1.455 -5.438
7 HA TRP 2 HA TRP 2 59.532 -1.070 -6.365
8 HB2 TRP 2 HB2 TRP 2 59.975 -3.265 -5.337
9 HB3 TRP 2 HB1 TRP 2 59.415 -4.081 -6.816
10 HD1 TRP 2 HD1 TRP 2 61.964 -1.254 -6.016
11 HE1 TRP 2 HE1 TRP 2 64.118 -1.648 -7.418
12 HE3 TRP 2 HE3 TRP 2 60.541 -5.494 -8.508
13 HZ2 TRP 2 HZ2 TRP 2 65.064 -3.559 -9.352
14 HZ3 TRP 2 HZ3 TRP 2 62.086 -6.587 -10.128
15 HH2 TRP 2 HH2 TRP 2 64.344 -5.624 -10.551
16 H GLY 3 HN GLY 3 59.714 -3.672 -8.563
17 HA2 GLY 3 HA1 GLY 3 59.722 -1.848 -10.823
18 HA3 GLY 3 HA2 GLY 3 59.910 -3.613 -10.877
19 H SER 4 HN SER 4 57.463 -4.252 -9.508
20 HA SER 4 HA SER 4 55.686 -4.263 -11.771
21 HB2 SER 4 HB2 SER 4 54.980 -4.756 -8.857
22 HB3 SER 4 HB1 SER 4 54.105 -5.337 -10.290
23 HG SER 4 HG SER 4 56.715 -6.002 -10.437
24 H PHE 5 HN PHE 5 55.600 -1.992 -12.325
25 HA PHE 5 HA PHE 5 54.500 0.043 -12.372
26 HB2 PHE 5 HB2 PHE 5 52.478 -1.114 -10.424
27 HB3 PHE 5 HB1 PHE 5 52.228 0.115 -11.687
28 HD1 PHE 5 HD1 PHE 5 52.368 -0.541 -14.119
29 HD2 PHE 5 HD2 PHE 5 52.395 -3.464 -10.942
30 HE1 PHE 5 HE1 PHE 5 51.803 -2.330 -15.759
31 HE2 PHE 5 HE2 PHE 5 51.827 -5.252 -12.584
32 HZ PHE 5 HZ PHE 5 51.468 -4.672 -14.980
33 H PHE 6 HN PHE 6 54.524 2.002 -11.328
34 HA PHE 6 HA PHE 6 56.009 2.065 -8.815
35 HB2 PHE 6 HB2 PHE 6 56.291 3.738 -10.652
36 HB3 PHE 6 HB1 PHE 6 54.649 4.335 -10.319
37 HD1 PHE 6 HD1 PHE 6 58.054 3.862 -8.842
38 HD2 PHE 6 HD2 PHE 6 54.208 5.782 -8.449
39 HE1 PHE 6 HE1 PHE 6 58.952 5.287 -7.006
40 HE2 PHE 6 HE2 PHE 6 55.106 7.206 -6.613
41 HZ PHE 6 HZ PHE 6 57.470 6.938 -5.872
42 H LYS 7 HN LYS 7 52.644 2.474 -9.829
43 HA LYS 7 HA LYS 7 50.720 2.844 -8.593
44 HB2 LYS 7 HB2 LYS 7 51.699 0.598 -7.684
45 HB3 LYS 7 HB1 LYS 7 52.142 1.542 -6.246
46 HG2 LYS 7 HG2 LYS 7 50.011 0.810 -5.609
47 HG3 LYS 7 HG1 LYS 7 49.582 2.350 -6.385
48 HD2 LYS 7 HD2 LYS 7 49.178 1.080 -8.533
49 HD3 LYS 7 HD1 LYS 7 49.464 -0.431 -7.639
50 HE2 LYS 7 HE2 LYS 7 47.365 1.633 -6.853
51 HE3 LYS 7 HE1 LYS 7 47.023 0.196 -7.845
52 HZ1 LYS 7 HZ1 LYS 7 46.609 -0.651 -5.796
53 HZ2 LYS 7 HZ2 LYS 7 47.692 0.389 -5.000
54 HZ3 LYS 7 HZ3 LYS 7 48.275 -0.963 -5.848
55 H LYS 8 HN LYS 8 51.099 2.934 -5.462
56 HA LYS 8 HA LYS 8 52.501 5.386 -4.919
57 HB2 LYS 8 HB2 LYS 8 50.462 6.815 -4.490
58 HB3 LYS 8 HB1 LYS 8 50.789 6.499 -6.211
59 HG2 LYS 8 HG2 LYS 8 49.110 4.708 -6.237
60 HG3 LYS 8 HG1 LYS 8 48.825 4.919 -4.492
61 HD2 LYS 8 HD2 LYS 8 48.108 7.274 -4.920
62 HD3 LYS 8 HD1 LYS 8 48.319 6.998 -6.666
63 HE2 LYS 8 HE2 LYS 8 46.414 5.492 -4.820
64 HE3 LYS 8 HE1 LYS 8 45.958 6.691 -6.054
65 HZ1 LYS 8 HZ1 LYS 8 47.403 5.024 -7.526
66 HZ2 LYS 8 HZ2 LYS 8 45.731 4.833 -7.294
67 HZ3 LYS 8 HZ3 LYS 8 46.829 3.922 -6.371
68 H ALA 9 HN ALA 9 52.356 6.021 -2.717
69 HA ALA 9 HA ALA 9 51.761 3.804 -0.945
70 HB1 ALA 9 HB1 ALA 9 52.487 6.707 -0.443
71 HB2 ALA 9 HB2 ALA 9 53.568 5.295 -0.399
72 HB3 ALA 9 HB3 ALA 9 52.309 5.492 0.844
73 H ALA 10 HN ALA 10 50.387 4.067 1.035
74 HA ALA 10 HA ALA 10 47.676 4.582 0.234
75 HB1 ALA 10 HB1 ALA 10 48.186 2.968 1.968
76 HB2 ALA 10 HB2 ALA 10 47.179 4.262 2.662
77 HB3 ALA 10 HB3 ALA 10 48.932 4.230 2.976
78 H HIS 11 HN HIS 11 46.174 6.061 1.408
79 HA HIS 11 HA HIS 11 47.211 8.790 1.213
80 HB2 HIS 11 HB2 HIS 11 44.513 7.670 2.066
81 HB3 HIS 11 HB1 HIS 11 44.870 9.404 1.875
82 HD1 HIS 11 HD1 HIS 11 43.723 10.077 -0.250
83 HD2 HIS 11 HD2 HIS 11 45.751 6.415 -0.635
84 HE1 HIS 11 HE1 HIS 11 43.608 9.398 -2.710
85 H ALA 12 HN ALA 12 48.487 7.152 3.248
86 HA ALA 12 HA ALA 12 47.439 7.776 5.852
87 HB1 ALA 12 HB1 ALA 12 49.066 5.987 5.478
88 HB2 ALA 12 HB2 ALA 12 49.703 7.171 6.643
89 HB3 ALA 12 HB3 ALA 12 50.281 7.178 4.959
90 H GLY 13 HN GLY 13 49.054 9.673 3.467
91 HA2 GLY 13 HA1 GLY 13 48.806 12.063 5.033
92 HA3 GLY 13 HA2 GLY 13 50.491 11.507 5.064
93 H LYS 14 HN LYS 14 47.886 12.828 3.132
94 HA LYS 14 HA LYS 14 49.744 14.089 1.326
95 HB2 LYS 14 HB2 LYS 14 49.965 11.834 0.386
96 HB3 LYS 14 HB1 LYS 14 48.198 11.708 0.221
97 HG2 LYS 14 HG2 LYS 14 48.141 13.489 -1.412
98 HG3 LYS 14 HG1 LYS 14 49.843 13.907 -1.100
99 HD2 LYS 14 HD2 LYS 14 50.560 11.716 -1.975
100 HD3 LYS 14 HD1 LYS 14 48.862 11.252 -2.242
101 HE2 LYS 14 HE2 LYS 14 48.584 13.107 -3.841
102 HE3 LYS 14 HE1 LYS 14 50.260 13.629 -3.548
103 HZ1 LYS 14 HZ1 LYS 14 50.054 10.845 -4.221
104 HZ2 LYS 14 HZ2 LYS 14 51.040 12.054 -4.893
105 HZ3 LYS 14 HZ3 LYS 14 49.446 11.849 -5.445
106 H HIS 15 HN HIS 15 46.682 12.676 0.240
107 HA HIS 15 HA HIS 15 45.569 15.419 -0.047
108 HB2 HIS 15 HB2 HIS 15 45.412 13.786 -1.913
109 HB3 HIS 15 HB1 HIS 15 44.447 12.711 -0.875
110 HD1 HIS 15 HD1 HIS 15 42.116 12.879 -1.795
111 HD2 HIS 15 HD2 HIS 15 43.962 16.641 -1.448
112 HE1 HIS 15 HE1 HIS 15 40.347 14.646 -2.318
113 H ALA 16 HN ALA 16 45.539 12.846 2.195
114 HA ALA 16 HA ALA 16 42.858 12.888 3.131
115 HB1 ALA 16 HB1 ALA 16 45.421 12.523 4.721
116 HB2 ALA 16 HB2 ALA 16 44.548 11.245 3.843
117 HB3 ALA 16 HB3 ALA 16 43.789 12.042 5.242
118 H GLY 17 HN GLY 17 45.645 14.974 3.922
119 HA2 GLY 17 HA1 GLY 17 45.599 17.169 4.711
120 HA3 GLY 17 HA2 GLY 17 43.825 17.114 4.741
121 H LYS 18 HN LYS 18 43.842 14.603 6.353
122 HA LYS 18 HA LYS 18 43.627 15.784 8.930
123 HB2 LYS 18 HB2 LYS 18 42.639 13.576 8.138
124 HB3 LYS 18 HB1 LYS 18 44.252 12.861 8.375
125 HG2 LYS 18 HG2 LYS 18 44.228 13.487 10.743
126 HG3 LYS 18 HG1 LYS 18 42.670 14.323 10.535
127 HD2 LYS 18 HD2 LYS 18 41.549 12.235 10.000
128 HD3 LYS 18 HD1 LYS 18 43.097 11.357 9.975
129 HE2 LYS 18 HE2 LYS 18 41.927 10.976 12.114
130 HE3 LYS 18 HE1 LYS 18 43.428 11.895 12.381
131 HZ1 LYS 18 HZ1 LYS 18 40.653 12.961 12.267
132 HZ2 LYS 18 HZ2 LYS 18 42.039 13.943 12.275
133 HZ3 LYS 18 HZ3 LYS 18 41.697 12.943 13.604
134 H ALA 19 HN ALA 19 46.389 14.785 7.125
135 HA ALA 19 HA ALA 19 48.173 15.708 9.238
136 HB1 ALA 19 HB1 ALA 19 49.415 13.560 9.458
137 HB2 ALA 19 HB2 ALA 19 48.125 12.753 8.535
138 HB3 ALA 19 HB3 ALA 19 47.766 13.478 10.120
139 H ALA 20 HN ALA 20 47.932 16.822 6.862
140 HA ALA 20 HA ALA 20 50.547 16.330 5.646
141 HB1 ALA 20 HB1 ALA 20 48.051 15.817 3.988
142 HB2 ALA 20 HB2 ALA 20 49.183 14.567 4.558
143 HB3 ALA 20 HB3 ALA 20 49.733 15.806 3.403
144 H LEU 21 HN LEU 21 47.404 17.600 4.447
145 HA LEU 21 HA LEU 21 48.695 20.084 3.586
146 HB2 LEU 21 HB2 LEU 21 45.710 19.559 3.804
147 HB3 LEU 21 HB1 LEU 21 46.559 20.675 2.707
148 HG LEU 21 HG LEU 21 46.698 17.627 2.662
149 HD11 LEU 21 HD11 LEU 21 45.568 19.660 0.686
150 HD12 LEU 21 HD12 LEU 21 44.606 18.611 1.754
151 HD13 LEU 21 HD13 LEU 21 45.600 17.894 0.462
152 HD21 LEU 21 HD21 LEU 21 47.986 18.152 0.461
153 HD22 LEU 21 HD22 LEU 21 48.865 18.366 1.990
154 HD23 LEU 21 HD23 LEU 21 48.213 19.784 1.135
155 H THR 22 HN THR 22 48.935 19.484 6.426
156 HA THR 22 HA THR 22 48.661 20.530 8.479
157 HB THR 22 HB THR 22 48.799 22.920 8.491
158 HG1 THR 22 HG1 THR 22 48.358 23.802 6.154
159 HG21 THR 22 HG21 THR 22 50.684 21.630 7.359
160 HG22 THR 22 HG22 THR 22 50.563 23.349 6.911
161 HG23 THR 22 HG23 THR 22 49.957 22.094 5.802
162 H HIS 23 HN HIS 23 46.509 19.123 8.170
163 HA HIS 23 HA HIS 23 44.255 18.951 8.675
164 HB2 HIS 23 HB2 HIS 23 44.999 20.028 10.763
165 HB3 HIS 23 HB1 HIS 23 44.764 21.631 10.030
166 HD1 HIS 23 HD1 HIS 23 42.259 19.078 9.031
167 HD2 HIS 23 HD2 HIS 23 42.674 21.910 12.111
168 HE1 HIS 23 HE1 HIS 23 39.951 19.414 10.072
169 H TYR 24 HN TYR 24 44.225 22.512 8.538
170 HA TYR 24 HA TYR 24 43.140 22.590 5.835
171 HB2 TYR 24 HB2 TYR 24 41.180 21.698 7.120
172 HB3 TYR 24 HB1 TYR 24 41.219 23.169 8.124
173 HD1 TYR 24 HD1 TYR 24 40.517 25.326 7.235
174 HD2 TYR 24 HD2 TYR 24 40.623 21.828 4.707
175 HE1 TYR 24 HE1 TYR 24 39.212 26.543 5.495
176 HE2 TYR 24 HE2 TYR 24 39.319 23.046 2.968
177 HH TYR 24 HH TYR 24 37.834 24.837 2.760
178 H LEU 25 HN LEU 25 44.389 23.932 8.692
179 HA LEU 25 HA LEU 25 43.722 26.722 8.140
180 HB2 LEU 25 HB2 LEU 25 46.042 25.736 9.832
181 HB3 LEU 25 HB1 LEU 25 45.096 27.234 10.006
182 HG LEU 25 HG LEU 25 44.096 24.389 10.474
183 HD11 LEU 25 HD11 LEU 25 45.581 25.397 12.240
184 HD12 LEU 25 HD12 LEU 25 43.922 25.088 12.806
185 HD13 LEU 25 HD13 LEU 25 44.426 26.743 12.387
186 HD21 LEU 25 HD21 LEU 25 42.038 25.703 11.346
187 HD22 LEU 25 HD22 LEU 25 42.235 25.602 9.582
188 HD23 LEU 25 HD23 LEU 25 42.689 27.093 10.443
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 56.826 6.030 -9.308
2 H2 GLY 1 HT2 GLY 1 56.610 5.055 -10.684
3 H3 GLY 1 HT3 GLY 1 58.156 5.242 -10.003
4 HA2 GLY 1 HA1 GLY 1 55.873 4.041 -8.592
5 HA3 GLY 1 HA2 GLY 1 57.058 3.107 -9.526
6 H TRP 2 HN TRP 2 57.820 6.029 -7.689
7 HA TRP 2 HA TRP 2 60.066 4.955 -6.392
8 HB2 TRP 2 HB2 TRP 2 58.151 7.111 -5.415
9 HB3 TRP 2 HB1 TRP 2 59.772 6.807 -4.745
10 HD1 TRP 2 HD1 TRP 2 58.004 8.065 -7.902
11 HE1 TRP 2 HE1 TRP 2 59.697 9.365 -9.389
12 HE3 TRP 2 HE3 TRP 2 62.296 7.066 -5.298
13 HZ2 TRP 2 HZ2 TRP 2 62.530 9.881 -9.414
14 HZ3 TRP 2 HZ3 TRP 2 64.483 7.971 -6.072
15 HH2 TRP 2 HH2 TRP 2 64.603 9.377 -8.125
16 H GLY 3 HN GLY 3 56.871 5.531 -4.836
17 HA2 GLY 3 HA1 GLY 3 57.522 3.946 -2.531
18 HA3 GLY 3 HA2 GLY 3 55.903 4.491 -3.010
19 H SER 4 HN SER 4 56.528 3.098 -5.722
20 HA SER 4 HA SER 4 55.877 1.072 -6.650
21 HB2 SER 4 HB2 SER 4 58.054 0.345 -5.815
22 HB3 SER 4 HB1 SER 4 57.364 0.025 -4.208
23 HG SER 4 HG SER 4 57.485 -1.874 -5.470
24 H PHE 5 HN PHE 5 54.880 -1.232 -5.978
25 HA PHE 5 HA PHE 5 52.888 -2.213 -5.294
26 HB2 PHE 5 HB2 PHE 5 53.549 -0.725 -2.720
27 HB3 PHE 5 HB1 PHE 5 52.403 -2.077 -2.875
28 HD1 PHE 5 HD1 PHE 5 55.913 -1.125 -2.567
29 HD2 PHE 5 HD2 PHE 5 53.246 -4.336 -3.670
30 HE1 PHE 5 HE1 PHE 5 57.783 -2.756 -2.340
31 HE2 PHE 5 HE2 PHE 5 55.117 -5.966 -3.443
32 HZ PHE 5 HZ PHE 5 57.399 -5.167 -2.836
33 H PHE 6 HN PHE 6 52.769 0.441 -6.586
34 HA PHE 6 HA PHE 6 50.932 2.207 -5.402
35 HB2 PHE 6 HB2 PHE 6 52.105 2.620 -7.547
36 HB3 PHE 6 HB1 PHE 6 51.079 1.396 -8.333
37 HD1 PHE 6 HD1 PHE 6 51.148 4.757 -6.760
38 HD2 PHE 6 HD2 PHE 6 48.718 1.823 -8.789
39 HE1 PHE 6 HE1 PHE 6 49.374 6.471 -7.113
40 HE2 PHE 6 HE2 PHE 6 46.944 3.538 -9.143
41 HZ PHE 6 HZ PHE 6 47.284 5.868 -8.326
42 H LYS 7 HN LYS 7 50.453 -1.040 -6.471
43 HA LYS 7 HA LYS 7 47.647 -0.906 -7.092
44 HB2 LYS 7 HB2 LYS 7 49.154 -2.819 -7.663
45 HB3 LYS 7 HB1 LYS 7 49.218 -3.243 -5.935
46 HG2 LYS 7 HG2 LYS 7 46.807 -3.608 -5.880
47 HG3 LYS 7 HG1 LYS 7 46.644 -3.030 -7.556
48 HD2 LYS 7 HD2 LYS 7 48.043 -4.902 -8.355
49 HD3 LYS 7 HD1 LYS 7 48.247 -5.475 -6.681
50 HE2 LYS 7 HE2 LYS 7 46.475 -6.783 -7.706
51 HE3 LYS 7 HE1 LYS 7 45.731 -5.680 -6.523
52 HZ1 LYS 7 HZ1 LYS 7 44.852 -5.899 -8.997
53 HZ2 LYS 7 HZ2 LYS 7 46.034 -4.708 -9.268
54 HZ3 LYS 7 HZ3 LYS 7 44.788 -4.433 -8.147
55 H LYS 8 HN LYS 8 49.120 -2.448 -4.204
56 HA LYS 8 HA LYS 8 46.764 -2.481 -2.657
57 HB2 LYS 8 HB2 LYS 8 48.953 -3.646 -2.151
58 HB3 LYS 8 HB1 LYS 8 49.574 -2.084 -1.568
59 HG2 LYS 8 HG2 LYS 8 47.699 -1.962 0.066
60 HG3 LYS 8 HG1 LYS 8 47.124 -3.551 -0.496
61 HD2 LYS 8 HD2 LYS 8 49.206 -4.612 0.211
62 HD3 LYS 8 HD1 LYS 8 49.902 -3.033 0.646
63 HE2 LYS 8 HE2 LYS 8 48.183 -2.719 2.377
64 HE3 LYS 8 HE1 LYS 8 47.414 -4.258 1.916
65 HZ1 LYS 8 HZ1 LYS 8 49.481 -5.398 2.492
66 HZ2 LYS 8 HZ2 LYS 8 48.855 -4.550 3.825
67 HZ3 LYS 8 HZ3 LYS 8 50.182 -3.929 2.966
68 H ALA 9 HN ALA 9 49.434 -0.074 -2.549
69 HA ALA 9 HA ALA 9 48.243 1.667 -0.670
70 HB1 ALA 9 HB1 ALA 9 50.566 1.874 -1.409
71 HB2 ALA 9 HB2 ALA 9 49.698 3.409 -1.657
72 HB3 ALA 9 HB3 ALA 9 50.024 2.335 -3.039
73 H ALA 10 HN ALA 10 47.627 4.031 -1.302
74 HA ALA 10 HA ALA 10 46.127 4.353 -3.771
75 HB1 ALA 10 HB1 ALA 10 43.895 4.374 -2.884
76 HB2 ALA 10 HB2 ALA 10 44.491 4.117 -1.227
77 HB3 ALA 10 HB3 ALA 10 44.633 2.819 -2.436
78 H HIS 11 HN HIS 11 46.509 5.338 -0.355
79 HA HIS 11 HA HIS 11 45.604 8.000 -0.583
80 HB2 HIS 11 HB2 HIS 11 47.985 7.084 1.071
81 HB3 HIS 11 HB1 HIS 11 46.904 8.460 1.397
82 HD1 HIS 11 HD1 HIS 11 44.172 7.058 0.789
83 HD2 HIS 11 HD2 HIS 11 47.200 5.484 3.245
84 HE1 HIS 11 HE1 HIS 11 43.080 5.355 2.349
85 H ALA 12 HN ALA 12 46.281 9.745 -1.639
86 HA ALA 12 HA ALA 12 48.476 9.654 -3.455
87 HB1 ALA 12 HB1 ALA 12 48.067 12.000 -3.798
88 HB2 ALA 12 HB2 ALA 12 47.241 12.138 -2.227
89 HB3 ALA 12 HB3 ALA 12 46.496 11.205 -3.547
90 H GLY 13 HN GLY 13 48.524 9.792 -0.103
91 HA2 GLY 13 HA1 GLY 13 51.375 10.254 -0.055
92 HA3 GLY 13 HA2 GLY 13 50.494 11.672 0.546
93 H LYS 14 HN LYS 14 48.962 11.351 2.328
94 HA LYS 14 HA LYS 14 49.428 8.896 3.961
95 HB2 LYS 14 HB2 LYS 14 50.098 11.730 4.848
96 HB3 LYS 14 HB1 LYS 14 49.872 10.373 5.978
97 HG2 LYS 14 HG2 LYS 14 51.658 9.109 4.742
98 HG3 LYS 14 HG1 LYS 14 51.934 10.551 3.738
99 HD2 LYS 14 HD2 LYS 14 52.339 11.853 5.881
100 HD3 LYS 14 HD1 LYS 14 52.302 10.300 6.750
101 HE2 LYS 14 HE2 LYS 14 54.179 9.461 5.422
102 HE3 LYS 14 HE1 LYS 14 54.174 10.939 4.430
103 HZ1 LYS 14 HZ1 LYS 14 55.309 12.035 5.980
104 HZ2 LYS 14 HZ2 LYS 14 55.604 10.536 6.726
105 HZ3 LYS 14 HZ3 LYS 14 54.303 11.502 7.237
106 H HIS 15 HN HIS 15 48.334 11.778 5.530
107 HA HIS 15 HA HIS 15 45.669 10.593 5.886
108 HB2 HIS 15 HB2 HIS 15 46.858 13.243 6.799
109 HB3 HIS 15 HB1 HIS 15 45.273 12.604 7.297
110 HD1 HIS 15 HD1 HIS 15 45.417 10.038 8.377
111 HD2 HIS 15 HD2 HIS 15 48.865 12.442 8.511
112 HE1 HIS 15 HE1 HIS 15 46.983 9.029 10.127
113 H ALA 16 HN ALA 16 45.912 10.923 3.219
114 HA ALA 16 HA ALA 16 44.962 11.969 1.377
115 HB1 ALA 16 HB1 ALA 16 42.962 12.855 3.485
116 HB2 ALA 16 HB2 ALA 16 42.918 11.329 2.570
117 HB3 ALA 16 HB3 ALA 16 42.696 12.880 1.726
118 H GLY 17 HN GLY 17 46.754 13.555 3.401
119 HA2 GLY 17 HA1 GLY 17 46.431 16.145 1.959
120 HA3 GLY 17 HA2 GLY 17 46.367 16.166 3.733
121 H LYS 18 HN LYS 18 48.347 13.706 2.387
122 HA LYS 18 HA LYS 18 50.644 13.403 2.468
123 HB2 LYS 18 HB2 LYS 18 50.834 16.360 1.791
124 HB3 LYS 18 HB1 LYS 18 51.997 15.071 1.399
125 HG2 LYS 18 HG2 LYS 18 50.260 13.968 -0.018
126 HG3 LYS 18 HG1 LYS 18 49.154 15.322 0.324
127 HD2 LYS 18 HD2 LYS 18 50.785 16.904 -0.672
128 HD3 LYS 18 HD1 LYS 18 51.879 15.546 -1.030
129 HE2 LYS 18 HE2 LYS 18 50.622 16.041 -3.047
130 HE3 LYS 18 HE1 LYS 18 50.018 14.502 -2.387
131 HZ1 LYS 18 HZ1 LYS 18 48.113 15.733 -2.865
132 HZ2 LYS 18 HZ2 LYS 18 48.763 17.184 -2.266
133 HZ3 LYS 18 HZ3 LYS 18 48.311 15.945 -1.194
134 H ALA 19 HN ALA 19 49.021 14.957 4.752
135 HA ALA 19 HA ALA 19 51.177 14.847 6.656
136 HB1 ALA 19 HB1 ALA 19 51.193 17.309 7.211
137 HB2 ALA 19 HB2 ALA 19 50.340 17.594 5.674
138 HB3 ALA 19 HB3 ALA 19 51.973 16.888 5.669
139 H ALA 20 HN ALA 20 48.223 16.801 6.000
140 HA ALA 20 HA ALA 20 46.649 15.337 7.919
141 HB1 ALA 20 HB1 ALA 20 47.994 16.400 9.608
142 HB2 ALA 20 HB2 ALA 20 46.411 17.212 9.584
143 HB3 ALA 20 HB3 ALA 20 47.821 17.986 8.822
144 H LEU 21 HN LEU 21 45.562 15.514 5.776
145 HA LEU 21 HA LEU 21 43.895 16.399 4.443
146 HB2 LEU 21 HB2 LEU 21 43.294 17.784 7.082
147 HB3 LEU 21 HB1 LEU 21 42.278 18.014 5.645
148 HG LEU 21 HG LEU 21 41.991 15.513 5.509
149 HD11 LEU 21 HD11 LEU 21 43.868 14.622 6.676
150 HD12 LEU 21 HD12 LEU 21 42.498 14.319 7.764
151 HD13 LEU 21 HD13 LEU 21 43.605 15.673 8.086
152 HD21 LEU 21 HD21 LEU 21 40.366 15.412 7.343
153 HD22 LEU 21 HD22 LEU 21 40.342 17.038 6.620
154 HD23 LEU 21 HD23 LEU 21 41.175 16.764 8.170
155 H THR 22 HN THR 22 43.412 19.456 5.816
156 HA THR 22 HA THR 22 44.399 20.786 3.446
157 HB THR 22 HB THR 22 43.723 22.850 4.533
158 HG1 THR 22 HG1 THR 22 42.887 22.306 6.851
159 HG21 THR 22 HG21 THR 22 41.411 22.329 5.046
160 HG22 THR 22 HG22 THR 22 41.828 20.642 5.431
161 HG23 THR 22 HG23 THR 22 41.949 21.230 3.755
162 H HIS 23 HN HIS 23 45.922 19.711 6.308
163 HA HIS 23 HA HIS 23 48.047 20.059 7.164
164 HB2 HIS 23 HB2 HIS 23 48.602 19.513 4.744
165 HB3 HIS 23 HB1 HIS 23 48.705 21.265 4.449
166 HD1 HIS 23 HD1 HIS 23 51.296 20.006 3.944
167 HD2 HIS 23 HD2 HIS 23 50.125 21.025 7.853
168 HE1 HIS 23 HE1 HIS 23 53.417 20.147 5.362
169 H TYR 24 HN TYR 24 47.988 21.530 8.754
170 HA TYR 24 HA TYR 24 47.183 24.197 8.619
171 HB2 TYR 24 HB2 TYR 24 49.403 23.014 10.334
172 HB3 TYR 24 HB1 TYR 24 48.585 24.565 10.635
173 HD1 TYR 24 HD1 TYR 24 46.210 24.638 11.309
174 HD2 TYR 24 HD2 TYR 24 48.261 20.888 10.707
175 HE1 TYR 24 HE1 TYR 24 44.373 23.442 12.495
176 HE2 TYR 24 HE2 TYR 24 46.423 19.692 11.892
177 HH TYR 24 HH TYR 24 44.241 19.916 12.598
178 H LEU 25 HN LEU 25 50.586 23.034 8.424
179 HA LEU 25 HA LEU 25 51.558 25.667 7.649
180 HB2 LEU 25 HB2 LEU 25 52.763 22.878 7.726
181 HB3 LEU 25 HB1 LEU 25 53.664 24.256 7.053
182 HG LEU 25 HG LEU 25 53.338 25.488 9.205
183 HD11 LEU 25 HD11 LEU 25 51.926 22.896 9.951
184 HD12 LEU 25 HD12 LEU 25 51.347 24.570 10.133
185 HD13 LEU 25 HD13 LEU 25 52.639 23.958 11.189
186 HD21 LEU 25 HD21 LEU 25 54.577 22.708 9.457
187 HD22 LEU 25 HD22 LEU 25 54.918 24.090 10.525
188 HD23 LEU 25 HD23 LEU 25 55.384 24.156 8.809
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 53.742 -3.916 -4.138
2 H2 GLY 1 HT2 GLY 1 53.592 -4.818 -5.571
3 H3 GLY 1 HT3 GLY 1 52.768 -3.342 -5.400
4 HA2 GLY 1 HA1 GLY 1 54.439 -2.518 -6.546
5 HA3 GLY 1 HA2 GLY 1 55.230 -2.535 -4.958
6 H TRP 2 HN TRP 2 56.798 -2.572 -7.167
7 HA TRP 2 HA TRP 2 58.130 -5.190 -6.865
8 HB2 TRP 2 HB2 TRP 2 57.257 -4.260 -9.630
9 HB3 TRP 2 HB1 TRP 2 58.150 -5.745 -9.225
10 HD1 TRP 2 HD1 TRP 2 54.682 -4.256 -9.312
11 HE1 TRP 2 HE1 TRP 2 52.911 -6.052 -8.677
12 HE3 TRP 2 HE3 TRP 2 57.829 -7.956 -7.692
13 HZ2 TRP 2 HZ2 TRP 2 52.897 -8.727 -7.611
14 HZ3 TRP 2 HZ3 TRP 2 56.915 -10.122 -6.872
15 HH2 TRP 2 HH2 TRP 2 54.455 -10.510 -6.829
16 H GLY 3 HN GLY 3 57.985 -1.853 -7.700
17 HA2 GLY 3 HA1 GLY 3 60.677 -1.316 -7.229
18 HA3 GLY 3 HA2 GLY 3 60.588 -1.671 -8.965
19 H SER 4 HN SER 4 58.989 -0.435 -10.249
20 HA SER 4 HA SER 4 59.330 2.383 -9.743
21 HB2 SER 4 HB2 SER 4 59.075 1.334 -12.009
22 HB3 SER 4 HB1 SER 4 57.364 1.028 -11.632
23 HG SER 4 HG SER 4 57.751 3.524 -11.020
24 H PHE 5 HN PHE 5 57.439 3.936 -9.790
25 HA PHE 5 HA PHE 5 55.764 3.360 -7.471
26 HB2 PHE 5 HB2 PHE 5 54.860 5.624 -7.881
27 HB3 PHE 5 HB1 PHE 5 56.641 5.620 -7.915
28 HD1 PHE 5 HD1 PHE 5 53.556 5.903 -9.943
29 HD2 PHE 5 HD2 PHE 5 57.871 5.897 -10.021
30 HE1 PHE 5 HE1 PHE 5 53.516 6.823 -12.260
31 HE2 PHE 5 HE2 PHE 5 57.831 6.817 -12.336
32 HZ PHE 5 HZ PHE 5 55.652 7.222 -13.477
33 H PHE 6 HN PHE 6 53.410 3.602 -7.456
34 HA PHE 6 HA PHE 6 51.969 3.209 -9.989
35 HB2 PHE 6 HB2 PHE 6 52.203 0.953 -7.958
36 HB3 PHE 6 HB1 PHE 6 50.969 1.023 -9.239
37 HD1 PHE 6 HD1 PHE 6 54.336 0.026 -8.442
38 HD2 PHE 6 HD2 PHE 6 51.821 1.369 -11.683
39 HE1 PHE 6 HE1 PHE 6 55.961 -0.902 -10.086
40 HE2 PHE 6 HE2 PHE 6 53.445 0.440 -13.327
41 HZ PHE 6 HZ PHE 6 55.553 -0.623 -12.530
42 H LYS 7 HN LYS 7 50.033 4.130 -9.825
43 HA LYS 7 HA LYS 7 49.182 5.228 -7.272
44 HB2 LYS 7 HB2 LYS 7 47.712 5.021 -9.930
45 HB3 LYS 7 HB1 LYS 7 47.228 6.034 -8.547
46 HG2 LYS 7 HG2 LYS 7 49.261 7.348 -8.707
47 HG3 LYS 7 HG1 LYS 7 49.932 6.246 -9.934
48 HD2 LYS 7 HD2 LYS 7 47.999 6.836 -11.438
49 HD3 LYS 7 HD1 LYS 7 47.491 8.047 -10.236
50 HE2 LYS 7 HE2 LYS 7 49.588 9.256 -10.478
51 HE3 LYS 7 HE1 LYS 7 50.250 7.981 -11.530
52 HZ1 LYS 7 HZ1 LYS 7 47.757 9.434 -12.213
53 HZ2 LYS 7 HZ2 LYS 7 48.772 8.531 -13.234
54 HZ3 LYS 7 HZ3 LYS 7 49.283 10.040 -12.641
55 H LYS 8 HN LYS 8 48.701 3.702 -5.764
56 HA LYS 8 HA LYS 8 46.132 2.350 -6.057
57 HB2 LYS 8 HB2 LYS 8 47.708 0.805 -7.285
58 HB3 LYS 8 HB1 LYS 8 48.600 0.594 -5.759
59 HG2 LYS 8 HG2 LYS 8 46.516 -0.216 -4.666
60 HG3 LYS 8 HG1 LYS 8 45.650 -0.041 -6.212
61 HD2 LYS 8 HD2 LYS 8 47.308 -1.623 -7.255
62 HD3 LYS 8 HD1 LYS 8 48.016 -1.877 -5.641
63 HE2 LYS 8 HE2 LYS 8 46.443 -3.671 -6.004
64 HE3 LYS 8 HE1 LYS 8 45.690 -2.549 -4.844
65 HZ1 LYS 8 HZ1 LYS 8 44.090 -2.034 -6.292
66 HZ2 LYS 8 HZ2 LYS 8 44.571 -3.414 -7.162
67 HZ3 LYS 8 HZ3 LYS 8 45.164 -1.882 -7.596
68 H ALA 9 HN ALA 9 49.176 2.869 -4.333
69 HA ALA 9 HA ALA 9 47.760 3.343 -1.843
70 HB1 ALA 9 HB1 ALA 9 49.550 0.894 -1.897
71 HB2 ALA 9 HB2 ALA 9 47.774 0.813 -1.996
72 HB3 ALA 9 HB3 ALA 9 48.557 1.493 -0.549
73 H ALA 10 HN ALA 10 48.846 5.192 -1.482
74 HA ALA 10 HA ALA 10 51.651 4.986 -0.676
75 HB1 ALA 10 HB1 ALA 10 52.471 6.679 -2.302
76 HB2 ALA 10 HB2 ALA 10 50.913 6.575 -3.157
77 HB3 ALA 10 HB3 ALA 10 51.985 5.156 -3.083
78 H HIS 11 HN HIS 11 48.726 6.832 -1.320
79 HA HIS 11 HA HIS 11 49.631 9.196 0.161
80 HB2 HIS 11 HB2 HIS 11 46.864 8.324 -0.760
81 HB3 HIS 11 HB1 HIS 11 47.271 9.920 -0.087
82 HD1 HIS 11 HD1 HIS 11 50.218 9.216 -1.826
83 HD2 HIS 11 HD2 HIS 11 46.335 10.200 -3.110
84 HE1 HIS 11 HE1 HIS 11 50.406 10.091 -4.219
85 H ALA 12 HN ALA 12 50.188 7.126 1.801
86 HA ALA 12 HA ALA 12 48.187 6.185 3.536
87 HB1 ALA 12 HB1 ALA 12 50.015 6.061 5.242
88 HB2 ALA 12 HB2 ALA 12 51.054 6.985 4.132
89 HB3 ALA 12 HB3 ALA 12 50.461 5.373 3.664
90 H GLY 13 HN GLY 13 47.991 6.836 5.917
91 HA2 GLY 13 HA1 GLY 13 46.889 9.510 5.970
92 HA3 GLY 13 HA2 GLY 13 47.019 8.390 7.341
93 H LYS 14 HN LYS 14 48.892 10.651 5.305
94 HA LYS 14 HA LYS 14 50.121 11.831 7.662
95 HB2 LYS 14 HB2 LYS 14 51.423 9.657 7.341
96 HB3 LYS 14 HB1 LYS 14 52.008 10.336 5.804
97 HG2 LYS 14 HG2 LYS 14 52.757 12.390 7.164
98 HG3 LYS 14 HG1 LYS 14 52.454 11.411 8.618
99 HD2 LYS 14 HD2 LYS 14 54.366 10.729 6.339
100 HD3 LYS 14 HD1 LYS 14 54.821 11.242 7.981
101 HE2 LYS 14 HE2 LYS 14 53.537 8.636 7.100
102 HE3 LYS 14 HE1 LYS 14 55.025 8.879 8.044
103 HZ1 LYS 14 HZ1 LYS 14 52.262 9.513 8.960
104 HZ2 LYS 14 HZ2 LYS 14 53.684 9.749 9.860
105 HZ3 LYS 14 HZ3 LYS 14 53.185 8.176 9.448
106 H HIS 15 HN HIS 15 51.068 11.212 4.243
107 HA HIS 15 HA HIS 15 51.765 14.016 3.851
108 HB2 HIS 15 HB2 HIS 15 51.377 11.758 1.846
109 HB3 HIS 15 HB1 HIS 15 52.123 13.337 1.502
110 HD1 HIS 15 HD1 HIS 15 53.106 10.004 2.178
111 HD2 HIS 15 HD2 HIS 15 54.330 13.721 3.720
112 HE1 HIS 15 HE1 HIS 15 55.427 9.678 3.197
113 H ALA 16 HN ALA 16 48.847 12.243 3.828
114 HA ALA 16 HA ALA 16 47.332 14.588 3.031
115 HB1 ALA 16 HB1 ALA 16 48.070 13.818 0.797
116 HB2 ALA 16 HB2 ALA 16 46.308 13.671 1.007
117 HB3 ALA 16 HB3 ALA 16 47.344 12.226 1.118
118 H GLY 17 HN GLY 17 47.197 13.305 5.355
119 HA2 GLY 17 HA1 GLY 17 45.199 11.153 5.292
120 HA3 GLY 17 HA2 GLY 17 45.901 11.925 6.727
121 H LYS 18 HN LYS 18 44.436 13.740 4.082
122 HA LYS 18 HA LYS 18 42.685 15.263 4.151
123 HB2 LYS 18 HB2 LYS 18 41.595 12.877 4.120
124 HB3 LYS 18 HB1 LYS 18 41.151 13.229 5.805
125 HG2 LYS 18 HG2 LYS 18 40.102 15.394 4.979
126 HG3 LYS 18 HG1 LYS 18 40.385 14.821 3.319
127 HD2 LYS 18 HD2 LYS 18 39.062 12.765 3.834
128 HD3 LYS 18 HD1 LYS 18 38.720 13.419 5.454
129 HE2 LYS 18 HE2 LYS 18 36.827 13.962 4.048
130 HE3 LYS 18 HE1 LYS 18 37.738 15.468 4.314
131 HZ1 LYS 18 HZ1 LYS 18 38.242 13.733 1.964
132 HZ2 LYS 18 HZ2 LYS 18 38.658 15.366 2.186
133 HZ3 LYS 18 HZ3 LYS 18 37.035 14.924 1.945
134 H ALA 19 HN ALA 19 44.648 15.419 6.304
135 HA ALA 19 HA ALA 19 43.193 17.252 8.026
136 HB1 ALA 19 HB1 ALA 19 43.495 16.098 10.137
137 HB2 ALA 19 HB2 ALA 19 44.287 14.730 9.318
138 HB3 ALA 19 HB3 ALA 19 42.561 15.056 9.038
139 H ALA 20 HN ALA 20 46.067 15.355 7.251
140 HA ALA 20 HA ALA 20 47.869 17.011 8.849
141 HB1 ALA 20 HB1 ALA 20 48.403 15.065 6.576
142 HB2 ALA 20 HB2 ALA 20 48.408 14.682 8.314
143 HB3 ALA 20 HB3 ALA 20 49.638 15.778 7.641
144 H LEU 21 HN LEU 21 47.303 16.604 5.320
145 HA LEU 21 HA LEU 21 48.954 18.895 4.656
146 HB2 LEU 21 HB2 LEU 21 48.181 16.799 3.222
147 HB3 LEU 21 HB1 LEU 21 46.790 17.826 2.820
148 HG LEU 21 HG LEU 21 49.734 18.535 2.410
149 HD11 LEU 21 HD11 LEU 21 49.261 18.296 0.047
150 HD12 LEU 21 HD12 LEU 21 47.526 18.060 0.363
151 HD13 LEU 21 HD13 LEU 21 48.698 16.815 0.857
152 HD21 LEU 21 HD21 LEU 21 48.617 20.475 1.079
153 HD22 LEU 21 HD22 LEU 21 48.623 20.596 2.852
154 HD23 LEU 21 HD23 LEU 21 47.144 20.086 2.002
155 H THR 22 HN THR 22 45.401 18.350 4.412
156 HA THR 22 HA THR 22 44.627 20.952 3.757
157 HB THR 22 HB THR 22 42.450 20.425 4.586
158 HG1 THR 22 HG1 THR 22 43.889 18.745 6.346
159 HG21 THR 22 HG21 THR 22 43.719 17.711 4.060
160 HG22 THR 22 HG22 THR 22 43.421 18.908 2.776
161 HG23 THR 22 HG23 THR 22 42.056 18.228 3.694
162 H HIS 23 HN HIS 23 46.213 19.935 6.604
163 HA HIS 23 HA HIS 23 45.144 21.555 8.624
164 HB2 HIS 23 HB2 HIS 23 47.036 19.933 8.880
165 HB3 HIS 23 HB1 HIS 23 48.107 21.114 8.090
166 HD1 HIS 23 HD1 HIS 23 47.021 20.070 11.364
167 HD2 HIS 23 HD2 HIS 23 47.961 23.767 9.592
168 HE1 HIS 23 HE1 HIS 23 47.445 21.735 13.255
169 H TYR 24 HN TYR 24 47.596 22.445 6.157
170 HA TYR 24 HA TYR 24 47.710 25.212 7.076
171 HB2 TYR 24 HB2 TYR 24 49.563 23.962 5.869
172 HB3 TYR 24 HB1 TYR 24 48.590 24.100 4.386
173 HD1 TYR 24 HD1 TYR 24 48.240 26.264 3.295
174 HD2 TYR 24 HD2 TYR 24 50.528 25.959 6.943
175 HE1 TYR 24 HE1 TYR 24 49.096 28.579 2.953
176 HE2 TYR 24 HE2 TYR 24 51.384 28.275 6.599
177 HH TYR 24 HH TYR 24 50.476 30.159 3.693
178 H LEU 25 HN LEU 25 46.551 26.937 6.457
179 HA LEU 25 HA LEU 25 44.150 26.486 4.855
180 HB2 LEU 25 HB2 LEU 25 45.242 29.194 5.683
181 HB3 LEU 25 HB1 LEU 25 43.548 28.696 5.454
182 HG LEU 25 HG LEU 25 45.435 27.765 7.664
183 HD11 LEU 25 HD11 LEU 25 42.872 29.421 7.708
184 HD12 LEU 25 HD12 LEU 25 44.519 30.056 7.940
185 HD13 LEU 25 HD13 LEU 25 43.821 28.933 9.133
186 HD21 LEU 25 HD21 LEU 25 44.041 25.887 7.134
187 HD22 LEU 25 HD22 LEU 25 42.614 26.920 6.875
188 HD23 LEU 25 HD23 LEU 25 43.255 26.677 8.519
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 53.817 0.028 -8.369
2 H2 GLY 1 HT2 GLY 1 53.503 -1.526 -8.978
3 H3 GLY 1 HT3 GLY 1 52.239 -0.405 -8.807
4 HA2 GLY 1 HA1 GLY 1 52.567 -0.129 -10.967
5 HA3 GLY 1 HA2 GLY 1 53.782 1.005 -10.347
6 H TRP 2 HN TRP 2 55.873 0.717 -10.837
7 HA TRP 2 HA TRP 2 56.961 -1.909 -11.477
8 HB2 TRP 2 HB2 TRP 2 55.698 -1.390 -13.577
9 HB3 TRP 2 HB1 TRP 2 56.685 0.079 -13.764
10 HD1 TRP 2 HD1 TRP 2 58.898 -0.194 -14.990
11 HE1 TRP 2 HE1 TRP 2 60.397 -2.173 -15.762
12 HE3 TRP 2 HE3 TRP 2 56.366 -4.042 -12.756
13 HZ2 TRP 2 HZ2 TRP 2 60.460 -5.033 -15.434
14 HZ3 TRP 2 HZ3 TRP 2 57.164 -6.387 -12.999
15 HH2 TRP 2 HH2 TRP 2 59.207 -6.886 -14.334
16 H GLY 3 HN GLY 3 57.222 0.963 -10.137
17 HA2 GLY 3 HA1 GLY 3 60.031 0.882 -9.804
18 HA3 GLY 3 HA2 GLY 3 59.691 2.040 -11.104
19 H SER 4 HN SER 4 57.171 1.698 -8.807
20 HA SER 4 HA SER 4 58.171 3.624 -6.868
21 HB2 SER 4 HB2 SER 4 56.934 5.555 -7.478
22 HB3 SER 4 HB1 SER 4 57.694 5.012 -8.991
23 HG SER 4 HG SER 4 55.163 5.417 -8.588
24 H PHE 5 HN PHE 5 57.217 3.034 -5.042
25 HA PHE 5 HA PHE 5 54.344 2.818 -4.818
26 HB2 PHE 5 HB2 PHE 5 54.182 0.418 -4.293
27 HB3 PHE 5 HB1 PHE 5 54.750 0.661 -5.962
28 HD1 PHE 5 HD1 PHE 5 55.611 -0.592 -2.619
29 HD2 PHE 5 HD2 PHE 5 57.175 0.380 -6.524
30 HE1 PHE 5 HE1 PHE 5 57.669 -1.903 -2.121
31 HE2 PHE 5 HE2 PHE 5 59.233 -0.930 -6.025
32 HZ PHE 5 HZ PHE 5 59.506 -2.021 -3.801
33 H PHE 6 HN PHE 6 53.993 3.630 -2.870
34 HA PHE 6 HA PHE 6 56.111 3.508 -0.814
35 HB2 PHE 6 HB2 PHE 6 53.306 4.675 -0.629
36 HB3 PHE 6 HB1 PHE 6 54.688 5.012 0.440
37 HD1 PHE 6 HD1 PHE 6 56.722 6.188 -0.476
38 HD2 PHE 6 HD2 PHE 6 53.077 5.787 -2.755
39 HE1 PHE 6 HE1 PHE 6 57.480 8.000 -2.009
40 HE2 PHE 6 HE2 PHE 6 53.838 7.597 -4.289
41 HZ PHE 6 HZ PHE 6 56.067 8.659 -3.953
42 H LYS 7 HN LYS 7 54.595 3.463 1.514
43 HA LYS 7 HA LYS 7 54.277 0.600 1.864
44 HB2 LYS 7 HB2 LYS 7 53.403 2.843 3.726
45 HB3 LYS 7 HB1 LYS 7 53.722 1.147 4.161
46 HG2 LYS 7 HG2 LYS 7 56.097 1.476 3.315
47 HG3 LYS 7 HG1 LYS 7 55.732 3.213 3.176
48 HD2 LYS 7 HD2 LYS 7 55.140 3.274 5.590
49 HD3 LYS 7 HD1 LYS 7 55.543 1.545 5.724
50 HE2 LYS 7 HE2 LYS 7 57.439 3.809 4.967
51 HE3 LYS 7 HE1 LYS 7 57.463 2.853 6.468
52 HZ1 LYS 7 HZ1 LYS 7 58.799 1.450 5.414
53 HZ2 LYS 7 HZ2 LYS 7 58.583 2.238 3.924
54 HZ3 LYS 7 HZ3 LYS 7 57.503 1.019 4.409
55 H LYS 8 HN LYS 8 52.125 0.225 3.476
56 HA LYS 8 HA LYS 8 49.977 0.051 1.542
57 HB2 LYS 8 HB2 LYS 8 50.391 -1.562 3.441
58 HB3 LYS 8 HB1 LYS 8 49.801 -0.307 4.557
59 HG2 LYS 8 HG2 LYS 8 47.643 -0.233 3.374
60 HG3 LYS 8 HG1 LYS 8 48.227 -1.441 2.202
61 HD2 LYS 8 HD2 LYS 8 48.480 -3.104 3.987
62 HD3 LYS 8 HD1 LYS 8 48.001 -1.901 5.209
63 HE2 LYS 8 HE2 LYS 8 45.803 -1.642 3.967
64 HE3 LYS 8 HE1 LYS 8 46.286 -3.024 2.955
65 HZ1 LYS 8 HZ1 LYS 8 45.431 -2.961 5.733
66 HZ2 LYS 8 HZ2 LYS 8 46.733 -3.998 5.398
67 HZ3 LYS 8 HZ3 LYS 8 45.261 -4.183 4.570
68 H ALA 9 HN ALA 9 49.420 2.102 0.829
69 HA ALA 9 HA ALA 9 47.521 3.503 2.539
70 HB1 ALA 9 HB1 ALA 9 49.603 4.417 3.468
71 HB2 ALA 9 HB2 ALA 9 48.706 5.667 2.571
72 HB3 ALA 9 HB3 ALA 9 50.132 4.892 1.837
73 H ALA 10 HN ALA 10 49.758 4.085 -0.221
74 HA ALA 10 HA ALA 10 49.315 4.928 -2.340
75 HB1 ALA 10 HB1 ALA 10 48.258 2.679 -2.477
76 HB2 ALA 10 HB2 ALA 10 47.460 3.881 -3.520
77 HB3 ALA 10 HB3 ALA 10 46.711 3.404 -1.976
78 H HIS 11 HN HIS 11 49.030 6.955 -0.754
79 HA HIS 11 HA HIS 11 47.924 8.966 -0.401
80 HB2 HIS 11 HB2 HIS 11 46.607 8.190 -3.034
81 HB3 HIS 11 HB1 HIS 11 46.569 9.813 -2.303
82 HD1 HIS 11 HD1 HIS 11 49.772 8.302 -1.538
83 HD2 HIS 11 HD2 HIS 11 48.148 10.367 -4.821
84 HE1 HIS 11 HE1 HIS 11 51.725 9.078 -2.993
85 H ALA 12 HN ALA 12 46.903 7.799 1.450
86 HA ALA 12 HA ALA 12 44.214 6.780 1.192
87 HB1 ALA 12 HB1 ALA 12 45.560 6.117 3.071
88 HB2 ALA 12 HB2 ALA 12 44.190 7.065 3.697
89 HB3 ALA 12 HB3 ALA 12 45.804 7.808 3.564
90 H GLY 13 HN GLY 13 45.603 9.968 1.930
91 HA2 GLY 13 HA1 GLY 13 43.128 11.193 2.720
92 HA3 GLY 13 HA2 GLY 13 44.589 12.036 2.171
93 H LYS 14 HN LYS 14 43.471 13.562 0.976
94 HA LYS 14 HA LYS 14 41.692 12.611 -1.218
95 HB2 LYS 14 HB2 LYS 14 42.553 15.467 -0.636
96 HB3 LYS 14 HB1 LYS 14 41.109 14.902 -1.510
97 HG2 LYS 14 HG2 LYS 14 41.689 14.516 1.462
98 HG3 LYS 14 HG1 LYS 14 40.492 15.628 0.756
99 HD2 LYS 14 HD2 LYS 14 39.469 13.511 -0.366
100 HD3 LYS 14 HD1 LYS 14 40.461 12.587 0.789
101 HE2 LYS 14 HE2 LYS 14 38.346 14.673 1.471
102 HE3 LYS 14 HE1 LYS 14 38.237 12.919 1.743
103 HZ1 LYS 14 HZ1 LYS 14 40.525 13.470 2.986
104 HZ2 LYS 14 HZ2 LYS 14 39.012 13.501 3.762
105 HZ3 LYS 14 HZ3 LYS 14 39.721 14.946 3.218
106 H HIS 15 HN HIS 15 44.754 14.406 -0.756
107 HA HIS 15 HA HIS 15 45.846 13.290 -3.215
108 HB2 HIS 15 HB2 HIS 15 46.123 15.444 -4.408
109 HB3 HIS 15 HB1 HIS 15 44.406 15.015 -4.217
110 HD1 HIS 15 HD1 HIS 15 44.794 17.918 -4.656
111 HD2 HIS 15 HD2 HIS 15 45.259 16.244 -0.827
112 HE1 HIS 15 HE1 HIS 15 44.447 19.794 -2.956
113 H ALA 16 HN ALA 16 46.474 13.465 -0.383
114 HA ALA 16 HA ALA 16 49.245 14.414 -0.661
115 HB1 ALA 16 HB1 ALA 16 47.469 15.660 1.463
116 HB2 ALA 16 HB2 ALA 16 47.954 16.478 -0.042
117 HB3 ALA 16 HB3 ALA 16 49.187 16.005 1.152
118 H GLY 17 HN GLY 17 46.691 13.465 1.690
119 HA2 GLY 17 HA1 GLY 17 46.690 11.724 3.221
120 HA3 GLY 17 HA2 GLY 17 48.109 11.051 2.398
121 H LYS 18 HN LYS 18 50.228 11.898 2.938
122 HA LYS 18 HA LYS 18 50.761 11.923 5.677
123 HB2 LYS 18 HB2 LYS 18 52.428 11.704 3.785
124 HB3 LYS 18 HB1 LYS 18 52.366 13.474 3.613
125 HG2 LYS 18 HG2 LYS 18 53.132 13.775 5.915
126 HG3 LYS 18 HG1 LYS 18 53.070 12.019 6.199
127 HD2 LYS 18 HD2 LYS 18 54.834 11.626 4.579
128 HD3 LYS 18 HD1 LYS 18 54.809 13.331 4.068
129 HE2 LYS 18 HE2 LYS 18 55.453 13.987 6.410
130 HE3 LYS 18 HE1 LYS 18 55.611 12.260 6.809
131 HZ1 LYS 18 HZ1 LYS 18 57.739 13.233 6.187
132 HZ2 LYS 18 HZ2 LYS 18 57.117 13.696 4.675
133 HZ3 LYS 18 HZ3 LYS 18 57.273 12.050 5.065
134 H ALA 19 HN ALA 19 50.832 14.855 3.586
135 HA ALA 19 HA ALA 19 50.812 16.622 5.887
136 HB1 ALA 19 HB1 ALA 19 50.629 18.403 4.260
137 HB2 ALA 19 HB2 ALA 19 50.114 17.255 3.001
138 HB3 ALA 19 HB3 ALA 19 51.772 17.187 3.644
139 H ALA 20 HN ALA 20 48.385 14.909 4.127
140 HA ALA 20 HA ALA 20 46.068 14.971 4.222
141 HB1 ALA 20 HB1 ALA 20 46.398 14.405 6.536
142 HB2 ALA 20 HB2 ALA 20 45.113 15.637 6.460
143 HB3 ALA 20 HB3 ALA 20 46.761 16.096 6.954
144 H LEU 21 HN LEU 21 45.404 16.342 2.656
145 HA LEU 21 HA LEU 21 44.525 18.268 1.725
146 HB2 LEU 21 HB2 LEU 21 44.155 19.310 4.552
147 HB3 LEU 21 HB1 LEU 21 43.195 19.686 3.104
148 HG LEU 21 HG LEU 21 43.366 16.980 4.503
149 HD11 LEU 21 HD11 LEU 21 42.025 18.746 5.669
150 HD12 LEU 21 HD12 LEU 21 41.020 17.401 5.076
151 HD13 LEU 21 HD13 LEU 21 41.053 18.945 4.191
152 HD21 LEU 21 HD21 LEU 21 43.064 16.492 2.187
153 HD22 LEU 21 HD22 LEU 21 42.016 17.909 1.934
154 HD23 LEU 21 HD23 LEU 21 41.413 16.504 2.846
155 H THR 22 HN THR 22 45.879 19.807 4.674
156 HA THR 22 HA THR 22 48.167 20.879 3.158
157 HB THR 22 HB THR 22 47.535 23.281 3.648
158 HG1 THR 22 HG1 THR 22 45.253 21.933 4.525
159 HG21 THR 22 HG21 THR 22 47.176 22.080 1.395
160 HG22 THR 22 HG22 THR 22 46.220 23.554 1.678
161 HG23 THR 22 HG23 THR 22 45.464 21.956 1.864
162 H HIS 23 HN HIS 23 47.401 19.325 5.674
163 HA HIS 23 HA HIS 23 48.134 19.224 7.877
164 HB2 HIS 23 HB2 HIS 23 50.324 19.567 6.625
165 HB3 HIS 23 HB1 HIS 23 50.195 21.296 7.026
166 HD1 HIS 23 HD1 HIS 23 52.603 20.038 8.208
167 HD2 HIS 23 HD2 HIS 23 48.868 19.887 10.131
168 HE1 HIS 23 HE1 HIS 23 53.038 19.561 10.679
169 H TYR 24 HN TYR 24 45.951 20.521 8.005
170 HA TYR 24 HA TYR 24 46.271 23.313 8.893
171 HB2 TYR 24 HB2 TYR 24 43.831 23.185 9.288
172 HB3 TYR 24 HB1 TYR 24 44.265 22.623 7.656
173 HD1 TYR 24 HD1 TYR 24 42.868 21.677 10.913
174 HD2 TYR 24 HD2 TYR 24 44.365 20.164 7.156
175 HE1 TYR 24 HE1 TYR 24 41.796 19.475 11.372
176 HE2 TYR 24 HE2 TYR 24 43.293 17.962 7.617
177 HH TYR 24 HH TYR 24 41.441 17.043 9.034
178 H LEU 25 HN LEU 25 47.140 20.522 10.332
179 HA LEU 25 HA LEU 25 45.860 20.835 12.939
180 HB2 LEU 25 HB2 LEU 25 48.469 19.376 12.405
181 HB3 LEU 25 HB1 LEU 25 47.242 19.040 13.648
182 HG LEU 25 HG LEU 25 46.875 18.709 10.635
183 HD11 LEU 25 HD11 LEU 25 48.340 17.008 11.740
184 HD12 LEU 25 HD12 LEU 25 46.814 16.309 11.148
185 HD13 LEU 25 HD13 LEU 25 47.023 16.652 12.882
186 HD21 LEU 25 HD21 LEU 25 44.726 17.530 11.464
187 HD22 LEU 25 HD22 LEU 25 44.741 19.306 11.545
188 HD23 LEU 25 HD23 LEU 25 45.011 18.347 13.020
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 60.938 4.655 -5.359
2 H2 GLY 1 HT2 GLY 1 61.168 3.427 -6.511
3 H3 GLY 1 HT3 GLY 1 62.438 3.875 -5.474
4 HA2 GLY 1 HA1 GLY 1 61.744 2.632 -3.830
5 HA3 GLY 1 HA2 GLY 1 60.058 3.117 -4.103
6 H TRP 2 HN TRP 2 61.027 2.227 -7.072
7 HA TRP 2 HA TRP 2 60.578 0.356 -8.366
8 HB2 TRP 2 HB2 TRP 2 61.506 -1.192 -5.915
9 HB3 TRP 2 HB1 TRP 2 61.490 -1.761 -7.602
10 HD1 TRP 2 HD1 TRP 2 63.538 0.179 -5.137
11 HE1 TRP 2 HE1 TRP 2 65.718 1.063 -6.244
12 HE3 TRP 2 HE3 TRP 2 62.424 -0.833 -10.029
13 HZ2 TRP 2 HZ2 TRP 2 66.801 1.286 -8.903
14 HZ3 TRP 2 HZ3 TRP 2 64.046 -0.277 -11.835
15 HH2 TRP 2 HH2 TRP 2 66.231 0.780 -11.278
16 H GLY 3 HN GLY 3 59.434 -1.925 -8.297
17 HA2 GLY 3 HA1 GLY 3 57.540 -3.166 -7.759
18 HA3 GLY 3 HA2 GLY 3 57.319 -2.178 -6.303
19 H SER 4 HN SER 4 56.744 0.238 -6.908
20 HA SER 4 HA SER 4 54.988 1.570 -7.643
21 HB2 SER 4 HB2 SER 4 56.201 1.782 -9.678
22 HB3 SER 4 HB1 SER 4 55.801 0.126 -10.184
23 HG SER 4 HG SER 4 53.544 1.479 -9.684
24 H PHE 5 HN PHE 5 53.471 0.491 -6.262
25 HA PHE 5 HA PHE 5 51.990 -1.808 -6.878
26 HB2 PHE 5 HB2 PHE 5 51.004 0.740 -5.535
27 HB3 PHE 5 HB1 PHE 5 50.220 -0.856 -5.437
28 HD1 PHE 5 HD1 PHE 5 51.260 -2.706 -4.192
29 HD2 PHE 5 HD2 PHE 5 53.127 1.180 -4.391
30 HE1 PHE 5 HE1 PHE 5 52.780 -3.341 -2.322
31 HE2 PHE 5 HE2 PHE 5 54.646 0.547 -2.522
32 HZ PHE 5 HZ PHE 5 54.521 -1.738 -1.536
33 H PHE 6 HN PHE 6 49.399 -1.502 -7.162
34 HA PHE 6 HA PHE 6 48.762 0.355 -9.372
35 HB2 PHE 6 HB2 PHE 6 49.885 -1.592 -10.492
36 HB3 PHE 6 HB1 PHE 6 48.621 -2.653 -9.822
37 HD1 PHE 6 HD1 PHE 6 49.104 0.457 -11.885
38 HD2 PHE 6 HD2 PHE 6 46.553 -2.903 -10.967
39 HE1 PHE 6 HE1 PHE 6 47.598 1.084 -13.769
40 HE2 PHE 6 HE2 PHE 6 45.049 -2.275 -12.853
41 HZ PHE 6 HZ PHE 6 45.595 -0.307 -14.280
42 H LYS 7 HN LYS 7 47.944 -2.060 -6.982
43 HA LYS 7 HA LYS 7 45.134 -2.245 -7.486
44 HB2 LYS 7 HB2 LYS 7 46.780 -2.530 -4.944
45 HB3 LYS 7 HB1 LYS 7 45.032 -2.860 -5.018
46 HG2 LYS 7 HG2 LYS 7 45.329 -4.639 -6.594
47 HG3 LYS 7 HG1 LYS 7 47.013 -4.168 -6.926
48 HD2 LYS 7 HD2 LYS 7 46.853 -6.171 -5.433
49 HD3 LYS 7 HD1 LYS 7 47.678 -4.802 -4.653
50 HE2 LYS 7 HE2 LYS 7 45.797 -4.290 -3.295
51 HE3 LYS 7 HE1 LYS 7 44.689 -5.247 -4.310
52 HZ1 LYS 7 HZ1 LYS 7 45.499 -7.220 -3.469
53 HZ2 LYS 7 HZ2 LYS 7 45.545 -6.223 -2.095
54 HZ3 LYS 7 HZ3 LYS 7 46.971 -6.548 -2.961
55 H LYS 8 HN LYS 8 46.150 -0.822 -4.421
56 HA LYS 8 HA LYS 8 45.216 1.857 -5.062
57 HB2 LYS 8 HB2 LYS 8 43.040 0.631 -4.982
58 HB3 LYS 8 HB1 LYS 8 43.406 0.154 -3.306
59 HG2 LYS 8 HG2 LYS 8 43.462 2.474 -2.588
60 HG3 LYS 8 HG1 LYS 8 43.313 3.044 -4.269
61 HD2 LYS 8 HD2 LYS 8 41.077 2.105 -4.454
62 HD3 LYS 8 HD1 LYS 8 41.224 1.331 -2.857
63 HE2 LYS 8 HE2 LYS 8 39.907 3.507 -2.867
64 HE3 LYS 8 HE1 LYS 8 41.282 3.472 -1.739
65 HZ1 LYS 8 HZ1 LYS 8 42.360 5.036 -2.895
66 HZ2 LYS 8 HZ2 LYS 8 40.848 5.390 -3.583
67 HZ3 LYS 8 HZ3 LYS 8 41.943 4.381 -4.402
68 H ALA 9 HN ALA 9 45.884 3.310 -3.572
69 HA ALA 9 HA ALA 9 46.345 2.635 -0.797
70 HB1 ALA 9 HB1 ALA 9 48.769 2.806 -2.622
71 HB2 ALA 9 HB2 ALA 9 48.248 1.399 -1.663
72 HB3 ALA 9 HB3 ALA 9 48.829 2.870 -0.844
73 H ALA 10 HN ALA 10 48.489 4.609 -2.829
74 HA ALA 10 HA ALA 10 48.812 6.899 -2.906
75 HB1 ALA 10 HB1 ALA 10 46.408 6.728 -3.743
76 HB2 ALA 10 HB2 ALA 10 46.903 8.303 -3.080
77 HB3 ALA 10 HB3 ALA 10 45.905 7.200 -2.104
78 H HIS 11 HN HIS 11 49.743 8.305 -1.554
79 HA HIS 11 HA HIS 11 48.641 8.921 1.059
80 HB2 HIS 11 HB2 HIS 11 50.587 7.984 2.363
81 HB3 HIS 11 HB1 HIS 11 49.491 6.750 1.698
82 HD1 HIS 11 HD1 HIS 11 52.396 8.687 0.071
83 HD2 HIS 11 HD2 HIS 11 51.105 4.738 0.725
84 HE1 HIS 11 HE1 HIS 11 54.096 7.136 -1.039
85 H ALA 12 HN ALA 12 49.446 10.393 -1.222
86 HA ALA 12 HA ALA 12 52.073 11.430 -1.130
87 HB1 ALA 12 HB1 ALA 12 50.545 11.952 -2.940
88 HB2 ALA 12 HB2 ALA 12 51.074 13.468 -2.170
89 HB3 ALA 12 HB3 ALA 12 49.457 12.807 -1.822
90 H GLY 13 HN GLY 13 52.595 13.771 -0.507
91 HA2 GLY 13 HA1 GLY 13 52.830 15.374 1.147
92 HA3 GLY 13 HA2 GLY 13 51.211 14.943 1.730
93 H LYS 14 HN LYS 14 51.665 14.996 3.898
94 HA LYS 14 HA LYS 14 53.982 13.705 5.044
95 HB2 LYS 14 HB2 LYS 14 52.688 15.531 6.152
96 HB3 LYS 14 HB1 LYS 14 51.327 14.402 6.363
97 HG2 LYS 14 HG2 LYS 14 52.694 12.927 7.744
98 HG3 LYS 14 HG1 LYS 14 54.141 13.917 7.434
99 HD2 LYS 14 HD2 LYS 14 52.973 15.868 8.508
100 HD3 LYS 14 HD1 LYS 14 51.625 14.781 8.925
101 HE2 LYS 14 HE2 LYS 14 54.523 14.352 9.774
102 HE3 LYS 14 HE1 LYS 14 53.260 15.064 10.806
103 HZ1 LYS 14 HZ1 LYS 14 52.838 12.443 9.506
104 HZ2 LYS 14 HZ2 LYS 14 52.108 13.077 10.903
105 HZ3 LYS 14 HZ3 LYS 14 53.721 12.548 10.950
106 H HIS 15 HN HIS 15 50.587 12.733 4.529
107 HA HIS 15 HA HIS 15 51.321 9.930 4.476
108 HB2 HIS 15 HB2 HIS 15 51.435 10.299 6.927
109 HB3 HIS 15 HB1 HIS 15 49.758 10.895 6.905
110 HD1 HIS 15 HD1 HIS 15 48.092 9.153 7.509
111 HD2 HIS 15 HD2 HIS 15 51.491 7.497 5.670
112 HE1 HIS 15 HE1 HIS 15 47.737 6.626 7.384
113 H ALA 16 HN ALA 16 49.342 12.544 3.878
114 HA ALA 16 HA ALA 16 47.475 10.914 2.354
115 HB1 ALA 16 HB1 ALA 16 45.452 11.387 3.543
116 HB2 ALA 16 HB2 ALA 16 46.298 12.462 4.683
117 HB3 ALA 16 HB3 ALA 16 46.598 10.707 4.722
118 H GLY 17 HN GLY 17 48.590 13.967 3.665
119 HA2 GLY 17 HA1 GLY 17 48.739 16.030 2.604
120 HA3 GLY 17 HA2 GLY 17 48.079 15.292 1.131
121 H LYS 18 HN LYS 18 45.704 14.822 1.146
122 HA LYS 18 HA LYS 18 44.295 17.247 1.831
123 HB2 LYS 18 HB2 LYS 18 42.274 15.974 1.088
124 HB3 LYS 18 HB1 LYS 18 43.610 15.914 -0.086
125 HG2 LYS 18 HG2 LYS 18 44.299 13.700 0.857
126 HG3 LYS 18 HG1 LYS 18 42.891 13.754 1.946
127 HD2 LYS 18 HD2 LYS 18 41.360 13.804 0.039
128 HD3 LYS 18 HD1 LYS 18 42.728 13.902 -1.096
129 HE2 LYS 18 HE2 LYS 18 43.528 11.689 -0.354
130 HE3 LYS 18 HE1 LYS 18 42.194 11.589 0.821
131 HZ1 LYS 18 HZ1 LYS 18 40.864 10.852 -0.773
132 HZ2 LYS 18 HZ2 LYS 18 42.164 10.853 -1.866
133 HZ3 LYS 18 HZ3 LYS 18 41.164 12.220 -1.730
134 H ALA 19 HN ALA 19 45.472 15.024 3.879
135 HA ALA 19 HA ALA 19 43.629 15.786 5.998
136 HB1 ALA 19 HB1 ALA 19 42.745 13.601 6.528
137 HB2 ALA 19 HB2 ALA 19 43.668 12.856 5.201
138 HB3 ALA 19 HB3 ALA 19 42.335 13.979 4.839
139 H ALA 20 HN ALA 20 46.246 16.304 5.855
140 HA ALA 20 HA ALA 20 47.277 14.955 8.196
141 HB1 ALA 20 HB1 ALA 20 48.691 14.338 5.579
142 HB2 ALA 20 HB2 ALA 20 47.682 13.185 6.484
143 HB3 ALA 20 HB3 ALA 20 49.180 13.817 7.207
144 H LEU 21 HN LEU 21 48.054 16.770 5.218
145 HA LEU 21 HA LEU 21 50.311 18.146 6.396
146 HB2 LEU 21 HB2 LEU 21 49.993 17.858 3.947
147 HB3 LEU 21 HB1 LEU 21 48.566 18.912 4.019
148 HG LEU 21 HG LEU 21 50.014 20.774 4.873
149 HD11 LEU 21 HD11 LEU 21 52.141 18.617 4.612
150 HD12 LEU 21 HD12 LEU 21 51.884 19.788 5.929
151 HD13 LEU 21 HD13 LEU 21 52.578 20.328 4.387
152 HD21 LEU 21 HD21 LEU 21 49.507 20.475 2.447
153 HD22 LEU 21 HD22 LEU 21 50.988 19.504 2.276
154 HD23 LEU 21 HD23 LEU 21 51.099 21.225 2.714
155 H THR 22 HN THR 22 49.626 18.968 8.399
156 HA THR 22 HA THR 22 48.637 20.509 9.827
157 HB THR 22 HB THR 22 48.568 22.819 9.053
158 HG1 THR 22 HG1 THR 22 48.231 23.290 7.026
159 HG21 THR 22 HG21 THR 22 50.817 21.286 7.681
160 HG22 THR 22 HG22 THR 22 50.799 21.790 9.388
161 HG23 THR 22 HG23 THR 22 50.838 23.016 8.098
162 H HIS 23 HN HIS 23 46.916 18.838 7.803
163 HA HIS 23 HA HIS 23 44.656 18.589 7.352
164 HB2 HIS 23 HB2 HIS 23 44.430 20.314 9.850
165 HB3 HIS 23 HB1 HIS 23 43.087 19.415 9.105
166 HD1 HIS 23 HD1 HIS 23 43.408 16.733 8.941
167 HD2 HIS 23 HD2 HIS 23 45.989 18.776 11.559
168 HE1 HIS 23 HE1 HIS 23 44.468 14.989 10.478
169 H TYR 24 HN TYR 24 44.248 21.807 8.806
170 HA TYR 24 HA TYR 24 44.061 23.126 6.181
171 HB2 TYR 24 HB2 TYR 24 41.587 22.622 7.882
172 HB3 TYR 24 HB1 TYR 24 41.674 23.846 6.593
173 HD1 TYR 24 HD1 TYR 24 41.323 20.288 7.357
174 HD2 TYR 24 HD2 TYR 24 42.171 23.130 4.220
175 HE1 TYR 24 HE1 TYR 24 40.851 18.540 5.644
176 HE2 TYR 24 HE2 TYR 24 41.701 21.382 2.509
177 HH TYR 24 HH TYR 24 41.661 18.355 2.845
178 H LEU 25 HN LEU 25 45.867 23.819 7.924
179 HA LEU 25 HA LEU 25 46.629 25.522 9.307
180 HB2 LEU 25 HB2 LEU 25 44.255 27.150 8.341
181 HB3 LEU 25 HB1 LEU 25 45.887 27.713 8.775
182 HG LEU 25 HG LEU 25 45.155 25.974 6.376
183 HD11 LEU 25 HD11 LEU 25 45.812 27.936 5.065
184 HD12 LEU 25 HD12 LEU 25 46.239 28.820 6.549
185 HD13 LEU 25 HD13 LEU 25 44.541 28.398 6.221
186 HD21 LEU 25 HD21 LEU 25 47.336 25.276 7.073
187 HD22 LEU 25 HD22 LEU 25 47.818 26.934 7.504
188 HD23 LEU 25 HD23 LEU 25 47.628 26.475 5.794
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 56.087 5.242 -11.113
2 H2 GLY 1 HT2 GLY 1 55.416 4.506 -12.491
3 H3 GLY 1 HT3 GLY 1 56.553 3.670 -11.542
4 HA2 GLY 1 HA1 GLY 1 55.012 3.759 -9.672
5 HA3 GLY 1 HA2 GLY 1 53.822 4.464 -10.784
6 H TRP 2 HN TRP 2 53.102 2.211 -9.515
7 HA TRP 2 HA TRP 2 52.428 0.013 -9.846
8 HB2 TRP 2 HB2 TRP 2 52.616 0.633 -12.814
9 HB3 TRP 2 HB1 TRP 2 51.494 -0.473 -11.984
10 HD1 TRP 2 HD1 TRP 2 50.164 1.067 -9.824
11 HE1 TRP 2 HE1 TRP 2 48.770 3.230 -10.194
12 HE3 TRP 2 HE3 TRP 2 52.117 2.527 -14.327
13 HZ2 TRP 2 HZ2 TRP 2 48.557 5.297 -12.188
14 HZ3 TRP 2 HZ3 TRP 2 51.303 4.598 -15.445
15 HH2 TRP 2 HH2 TRP 2 49.527 5.983 -14.380
16 H GLY 3 HN GLY 3 55.268 0.466 -9.594
17 HA2 GLY 3 HA1 GLY 3 56.254 -2.100 -10.175
18 HA3 GLY 3 HA2 GLY 3 56.712 -1.076 -11.551
19 H SER 4 HN SER 4 56.349 0.369 -8.408
20 HA SER 4 HA SER 4 59.116 0.011 -7.578
21 HB2 SER 4 HB2 SER 4 58.295 2.623 -8.900
22 HB3 SER 4 HB1 SER 4 59.703 2.468 -7.826
23 HG SER 4 HG SER 4 59.194 1.078 -10.262
24 H PHE 5 HN PHE 5 57.423 3.095 -7.311
25 HA PHE 5 HA PHE 5 57.466 3.046 -4.451
26 HB2 PHE 5 HB2 PHE 5 55.573 4.641 -6.220
27 HB3 PHE 5 HB1 PHE 5 56.108 5.042 -4.569
28 HD1 PHE 5 HD1 PHE 5 58.340 5.931 -4.142
29 HD2 PHE 5 HD2 PHE 5 57.130 4.819 -8.132
30 HE1 PHE 5 HE1 PHE 5 60.322 7.121 -5.074
31 HE2 PHE 5 HE2 PHE 5 59.112 6.008 -9.065
32 HZ PHE 5 HZ PHE 5 60.644 7.249 -7.543
33 H PHE 6 HN PHE 6 55.805 2.780 -2.917
34 HA PHE 6 HA PHE 6 53.144 1.941 -3.669
35 HB2 PHE 6 HB2 PHE 6 54.346 -0.106 -4.360
36 HB3 PHE 6 HB1 PHE 6 55.035 -0.251 -2.726
37 HD1 PHE 6 HD1 PHE 6 53.853 -1.504 -1.097
38 HD2 PHE 6 HD2 PHE 6 51.719 0.116 -4.481
39 HE1 PHE 6 HE1 PHE 6 51.783 -2.671 -0.351
40 HE2 PHE 6 HE2 PHE 6 49.649 -1.052 -3.733
41 HZ PHE 6 HZ PHE 6 49.665 -2.386 -1.630
42 H LYS 7 HN LYS 7 55.233 0.583 -1.108
43 HA LYS 7 HA LYS 7 55.030 0.723 1.197
44 HB2 LYS 7 HB2 LYS 7 54.261 3.592 0.516
45 HB3 LYS 7 HB1 LYS 7 54.757 3.006 2.124
46 HG2 LYS 7 HG2 LYS 7 56.939 2.288 1.186
47 HG3 LYS 7 HG1 LYS 7 56.447 2.895 -0.414
48 HD2 LYS 7 HD2 LYS 7 56.244 5.175 0.476
49 HD3 LYS 7 HD1 LYS 7 56.638 4.594 2.112
50 HE2 LYS 7 HE2 LYS 7 58.660 5.526 1.137
51 HE3 LYS 7 HE1 LYS 7 58.842 3.756 1.205
52 HZ1 LYS 7 HZ1 LYS 7 58.676 5.507 -1.083
53 HZ2 LYS 7 HZ2 LYS 7 57.659 4.151 -1.195
54 HZ3 LYS 7 HZ3 LYS 7 59.329 3.947 -0.954
55 H LYS 8 HN LYS 8 52.922 3.068 2.000
56 HA LYS 8 HA LYS 8 50.877 1.207 2.817
57 HB2 LYS 8 HB2 LYS 8 50.793 4.245 2.625
58 HB3 LYS 8 HB1 LYS 8 49.648 3.224 3.528
59 HG2 LYS 8 HG2 LYS 8 51.602 2.324 4.851
60 HG3 LYS 8 HG1 LYS 8 52.639 3.521 4.037
61 HD2 LYS 8 HD2 LYS 8 51.235 5.354 4.910
62 HD3 LYS 8 HD1 LYS 8 50.163 4.170 5.698
63 HE2 LYS 8 HE2 LYS 8 51.703 4.976 7.381
64 HE3 LYS 8 HE1 LYS 8 52.193 3.316 6.965
65 HZ1 LYS 8 HZ1 LYS 8 53.965 5.173 7.051
66 HZ2 LYS 8 HZ2 LYS 8 53.360 5.617 5.526
67 HZ3 LYS 8 HZ3 LYS 8 54.002 4.063 5.769
68 H ALA 9 HN ALA 9 48.859 0.771 2.023
69 HA ALA 9 HA ALA 9 48.498 1.057 -0.829
70 HB1 ALA 9 HB1 ALA 9 46.337 -0.000 -0.446
71 HB2 ALA 9 HB2 ALA 9 46.457 0.324 1.301
72 HB3 ALA 9 HB3 ALA 9 47.583 -0.817 0.527
73 H ALA 10 HN ALA 10 47.074 2.325 -2.012
74 HA ALA 10 HA ALA 10 46.005 4.322 -2.517
75 HB1 ALA 10 HB1 ALA 10 44.173 4.982 -1.004
76 HB2 ALA 10 HB2 ALA 10 44.808 3.881 0.242
77 HB3 ALA 10 HB3 ALA 10 44.181 3.225 -1.289
78 H HIS 11 HN HIS 11 45.321 6.585 -1.328
79 HA HIS 11 HA HIS 11 47.132 7.533 0.696
80 HB2 HIS 11 HB2 HIS 11 48.494 9.042 -0.824
81 HB3 HIS 11 HB1 HIS 11 48.893 7.310 -0.927
82 HD1 HIS 11 HD1 HIS 11 49.817 8.183 -3.393
83 HD2 HIS 11 HD2 HIS 11 45.660 7.886 -2.839
84 HE1 HIS 11 HE1 HIS 11 48.739 8.178 -5.708
85 H ALA 12 HN ALA 12 44.320 7.626 -0.164
86 HA ALA 12 HA ALA 12 43.797 10.323 -1.138
87 HB1 ALA 12 HB1 ALA 12 41.440 9.774 -0.439
88 HB2 ALA 12 HB2 ALA 12 42.048 8.217 0.174
89 HB3 ALA 12 HB3 ALA 12 42.171 8.602 -1.560
90 H GLY 13 HN GLY 13 45.198 11.483 0.381
91 HA2 GLY 13 HA1 GLY 13 45.307 12.973 2.155
92 HA3 GLY 13 HA2 GLY 13 43.629 12.561 2.559
93 H LYS 14 HN LYS 14 47.022 11.556 2.894
94 HA LYS 14 HA LYS 14 46.579 10.764 5.649
95 HB2 LYS 14 HB2 LYS 14 45.565 8.792 4.579
96 HB3 LYS 14 HB1 LYS 14 47.041 8.548 3.614
97 HG2 LYS 14 HG2 LYS 14 48.350 8.025 5.545
98 HG3 LYS 14 HG1 LYS 14 47.105 8.643 6.656
99 HD2 LYS 14 HD2 LYS 14 47.147 6.144 6.568
100 HD3 LYS 14 HD1 LYS 14 45.589 6.817 6.034
101 HE2 LYS 14 HE2 LYS 14 46.065 6.398 3.740
102 HE3 LYS 14 HE1 LYS 14 47.802 6.162 4.053
103 HZ1 LYS 14 HZ1 LYS 14 47.154 4.198 5.417
104 HZ2 LYS 14 HZ2 LYS 14 46.809 4.038 3.761
105 HZ3 LYS 14 HZ3 LYS 14 45.562 4.381 4.863
106 H HIS 15 HN HIS 15 48.477 11.215 2.808
107 HA HIS 15 HA HIS 15 50.857 11.733 4.416
108 HB2 HIS 15 HB2 HIS 15 50.916 9.230 4.220
109 HB3 HIS 15 HB1 HIS 15 50.972 9.413 2.449
110 HD1 HIS 15 HD1 HIS 15 53.271 9.429 1.502
111 HD2 HIS 15 HD2 HIS 15 53.177 10.990 5.405
112 HE1 HIS 15 HE1 HIS 15 55.676 9.992 2.155
113 H ALA 16 HN ALA 16 48.949 11.829 1.598
114 HA ALA 16 HA ALA 16 50.507 14.018 0.510
115 HB1 ALA 16 HB1 ALA 16 51.886 12.045 -0.208
116 HB2 ALA 16 HB2 ALA 16 51.241 13.011 -1.556
117 HB3 ALA 16 HB3 ALA 16 50.479 11.461 -1.126
118 H GLY 17 HN GLY 17 48.023 14.234 1.244
119 HA2 GLY 17 HA1 GLY 17 46.574 14.556 -1.306
120 HA3 GLY 17 HA2 GLY 17 45.840 13.421 -0.155
121 H LYS 18 HN LYS 18 47.107 16.748 -0.452
122 HA LYS 18 HA LYS 18 46.415 18.720 0.538
123 HB2 LYS 18 HB2 LYS 18 44.327 18.198 -0.672
124 HB3 LYS 18 HB1 LYS 18 43.746 17.265 0.729
125 HG2 LYS 18 HG2 LYS 18 43.668 19.221 2.122
126 HG3 LYS 18 HG1 LYS 18 44.572 20.190 0.933
127 HD2 LYS 18 HD2 LYS 18 42.723 20.109 -0.638
128 HD3 LYS 18 HD1 LYS 18 41.837 18.959 0.391
129 HE2 LYS 18 HE2 LYS 18 42.647 21.753 1.300
130 HE3 LYS 18 HE1 LYS 18 41.059 21.368 0.595
131 HZ1 LYS 18 HZ1 LYS 18 40.392 20.419 2.483
132 HZ2 LYS 18 HZ2 LYS 18 41.728 21.162 3.225
133 HZ3 LYS 18 HZ3 LYS 18 41.837 19.555 2.686
134 H ALA 19 HN ALA 19 44.206 16.601 2.378
135 HA ALA 19 HA ALA 19 44.548 17.791 4.864
136 HB1 ALA 19 HB1 ALA 19 44.209 14.826 4.297
137 HB2 ALA 19 HB2 ALA 19 42.904 16.032 4.398
138 HB3 ALA 19 HB3 ALA 19 43.864 15.635 5.843
139 H ALA 20 HN ALA 20 46.632 15.350 3.325
140 HA ALA 20 HA ALA 20 48.286 14.884 5.637
141 HB1 ALA 20 HB1 ALA 20 49.044 14.661 2.705
142 HB2 ALA 20 HB2 ALA 20 48.159 13.414 3.617
143 HB3 ALA 20 HB3 ALA 20 49.824 13.845 4.080
144 H LEU 21 HN LEU 21 48.641 17.032 2.787
145 HA LEU 21 HA LEU 21 51.154 18.147 3.610
146 HB2 LEU 21 HB2 LEU 21 49.036 19.610 1.997
147 HB3 LEU 21 HB1 LEU 21 50.804 19.779 1.908
148 HG LEU 21 HG LEU 21 49.162 17.346 1.077
149 HD11 LEU 21 HD11 LEU 21 49.916 17.891 -1.166
150 HD12 LEU 21 HD12 LEU 21 50.963 19.191 -0.548
151 HD13 LEU 21 HD13 LEU 21 49.193 19.355 -0.457
152 HD21 LEU 21 HD21 LEU 21 51.495 16.583 0.226
153 HD22 LEU 21 HD22 LEU 21 51.193 16.458 1.974
154 HD23 LEU 21 HD23 LEU 21 52.164 17.806 1.333
155 H THR 22 HN THR 22 47.906 19.691 3.676
156 HA THR 22 HA THR 22 48.647 21.879 5.304
157 HB THR 22 HB THR 22 45.949 20.453 5.316
158 HG1 THR 22 HG1 THR 22 45.568 21.446 3.480
159 HG21 THR 22 HG21 THR 22 46.117 22.067 7.114
160 HG22 THR 22 HG22 THR 22 45.147 22.799 5.815
161 HG23 THR 22 HG23 THR 22 46.849 23.272 6.030
162 H HIS 23 HN HIS 23 46.961 18.877 6.351
163 HA HIS 23 HA HIS 23 46.857 17.876 8.438
164 HB2 HIS 23 HB2 HIS 23 49.208 17.390 7.936
165 HB3 HIS 23 HB1 HIS 23 49.698 18.964 8.602
166 HD1 HIS 23 HD1 HIS 23 50.776 18.550 10.815
167 HD2 HIS 23 HD2 HIS 23 47.307 16.235 10.286
168 HE1 HIS 23 HE1 HIS 23 50.397 17.242 12.977
169 H TYR 24 HN TYR 24 49.116 20.347 9.610
170 HA TYR 24 HA TYR 24 47.650 20.967 11.924
171 HB2 TYR 24 HB2 TYR 24 49.388 22.906 10.349
172 HB3 TYR 24 HB1 TYR 24 49.018 22.965 12.090
173 HD1 TYR 24 HD1 TYR 24 50.025 21.369 13.657
174 HD2 TYR 24 HD2 TYR 24 50.919 21.214 9.437
175 HE1 TYR 24 HE1 TYR 24 51.954 19.860 14.121
176 HE2 TYR 24 HE2 TYR 24 52.848 19.706 9.901
177 HH TYR 24 HH TYR 24 54.276 19.579 12.809
178 H LEU 25 HN LEU 25 45.523 21.426 11.873
179 HA LEU 25 HA LEU 25 43.556 22.541 11.346
180 HB2 LEU 25 HB2 LEU 25 45.285 24.959 10.726
181 HB3 LEU 25 HB1 LEU 25 43.653 24.910 11.436
182 HG LEU 25 HG LEU 25 46.237 23.944 12.740
183 HD11 LEU 25 HD11 LEU 25 44.312 26.212 13.429
184 HD12 LEU 25 HD12 LEU 25 45.916 26.410 12.680
185 HD13 LEU 25 HD13 LEU 25 45.779 25.774 14.338
186 HD21 LEU 25 HD21 LEU 25 43.313 23.758 13.582
187 HD22 LEU 25 HD22 LEU 25 44.643 23.692 14.765
188 HD23 LEU 25 HD23 LEU 25 44.520 22.453 13.494
Start of MODEL 21
1 H1 GLY 1 HT1 GLY 1 60.040 -1.904 -10.585
2 H2 GLY 1 HT2 GLY 1 59.720 -0.680 -9.452
3 H3 GLY 1 HT3 GLY 1 58.452 -1.634 -10.060
4 HA2 GLY 1 HA1 GLY 1 60.609 -2.383 -8.218
5 HA3 GLY 1 HA2 GLY 1 58.856 -2.447 -7.956
6 H TRP 2 HN TRP 2 58.952 -4.638 -7.369
7 HA TRP 2 HA TRP 2 60.144 -6.663 -9.007
8 HB2 TRP 2 HB2 TRP 2 59.422 -6.934 -6.614
9 HB3 TRP 2 HB1 TRP 2 57.733 -6.945 -7.173
10 HD1 TRP 2 HD1 TRP 2 56.948 -9.012 -8.676
11 HE1 TRP 2 HE1 TRP 2 57.850 -11.439 -8.927
12 HE3 TRP 2 HE3 TRP 2 61.579 -8.372 -6.589
13 HZ2 TRP 2 HZ2 TRP 2 60.264 -12.874 -8.297
14 HZ3 TRP 2 HZ3 TRP 2 63.165 -10.284 -6.424
15 HH2 TRP 2 HH2 TRP 2 62.513 -12.532 -7.276
16 H GLY 3 HN GLY 3 57.100 -4.932 -9.181
17 HA2 GLY 3 HA1 GLY 3 56.606 -5.775 -11.863
18 HA3 GLY 3 HA2 GLY 3 55.609 -6.750 -10.766
19 H SER 4 HN SER 4 56.626 -3.306 -10.886
20 HA SER 4 HA SER 4 53.878 -2.427 -11.379
21 HB2 SER 4 HB2 SER 4 55.112 -1.804 -8.669
22 HB3 SER 4 HB1 SER 4 53.531 -1.261 -9.275
23 HG SER 4 HG SER 4 54.094 -3.489 -7.984
24 H PHE 5 HN PHE 5 53.716 -0.154 -11.718
25 HA PHE 5 HA PHE 5 56.167 0.960 -12.822
26 HB2 PHE 5 HB2 PHE 5 53.562 2.442 -12.324
27 HB3 PHE 5 HB1 PHE 5 54.795 2.761 -13.570
28 HD1 PHE 5 HD1 PHE 5 55.083 1.206 -15.491
29 HD2 PHE 5 HD2 PHE 5 51.930 0.664 -12.595
30 HE1 PHE 5 HE1 PHE 5 53.922 -0.357 -17.046
31 HE2 PHE 5 HE2 PHE 5 50.770 -0.899 -14.151
32 HZ PHE 5 HZ PHE 5 51.819 -1.486 -16.332
33 H PHE 6 HN PHE 6 54.324 1.351 -9.829
34 HA PHE 6 HA PHE 6 56.592 2.623 -8.544
35 HB2 PHE 6 HB2 PHE 6 55.571 4.517 -9.933
36 HB3 PHE 6 HB1 PHE 6 54.145 4.399 -8.877
37 HD1 PHE 6 HD1 PHE 6 57.812 5.090 -8.958
38 HD2 PHE 6 HD2 PHE 6 54.195 5.231 -6.607
39 HE1 PHE 6 HE1 PHE 6 58.980 6.468 -7.243
40 HE2 PHE 6 HE2 PHE 6 55.365 6.610 -4.891
41 HZ PHE 6 HZ PHE 6 57.744 7.265 -5.233
42 H LYS 7 HN LYS 7 55.931 3.444 -6.290
43 HA LYS 7 HA LYS 7 54.597 1.293 -4.946
44 HB2 LYS 7 HB2 LYS 7 55.288 4.113 -4.031
45 HB3 LYS 7 HB1 LYS 7 54.706 2.819 -2.955
46 HG2 LYS 7 HG2 LYS 7 56.627 1.417 -3.527
47 HG3 LYS 7 HG1 LYS 7 57.185 2.618 -4.717
48 HD2 LYS 7 HD2 LYS 7 57.395 4.297 -2.865
49 HD3 LYS 7 HD1 LYS 7 56.961 3.020 -1.703
50 HE2 LYS 7 HE2 LYS 7 58.911 1.676 -2.481
51 HE3 LYS 7 HE1 LYS 7 59.361 2.995 -3.587
52 HZ1 LYS 7 HZ1 LYS 7 58.915 3.845 -0.865
53 HZ2 LYS 7 HZ2 LYS 7 60.203 4.193 -1.918
54 HZ3 LYS 7 HZ3 LYS 7 60.198 2.748 -1.024
55 H LYS 8 HN LYS 8 52.512 0.839 -4.810
56 HA LYS 8 HA LYS 8 50.450 2.487 -5.847
57 HB2 LYS 8 HB2 LYS 8 50.263 0.035 -5.425
58 HB3 LYS 8 HB1 LYS 8 50.210 0.366 -3.676
59 HG2 LYS 8 HG2 LYS 8 48.160 1.645 -3.911
60 HG3 LYS 8 HG1 LYS 8 48.254 1.557 -5.687
61 HD2 LYS 8 HD2 LYS 8 47.969 -0.876 -5.621
62 HD3 LYS 8 HD1 LYS 8 47.987 -0.856 -3.840
63 HE2 LYS 8 HE2 LYS 8 45.971 0.675 -3.917
64 HE3 LYS 8 HE1 LYS 8 45.905 0.405 -5.676
65 HZ1 LYS 8 HZ1 LYS 8 44.596 -1.112 -3.971
66 HZ2 LYS 8 HZ2 LYS 8 46.074 -1.953 -3.947
67 HZ3 LYS 8 HZ3 LYS 8 45.241 -1.734 -5.412
68 H ALA 9 HN ALA 9 51.639 2.074 -2.501
69 HA ALA 9 HA ALA 9 49.669 3.809 -1.315
70 HB1 ALA 9 HB1 ALA 9 51.082 3.752 0.643
71 HB2 ALA 9 HB2 ALA 9 52.475 3.208 -0.324
72 HB3 ALA 9 HB3 ALA 9 51.074 2.132 -0.094
73 H ALA 10 HN ALA 10 49.967 5.923 -0.424
74 HA ALA 10 HA ALA 10 52.233 7.567 -1.076
75 HB1 ALA 10 HB1 ALA 10 51.524 7.446 -3.365
76 HB2 ALA 10 HB2 ALA 10 51.040 9.045 -2.749
77 HB3 ALA 10 HB3 ALA 10 49.829 7.751 -2.919
78 H HIS 11 HN HIS 11 49.794 6.790 0.775
79 HA HIS 11 HA HIS 11 48.270 9.129 1.266
80 HB2 HIS 11 HB2 HIS 11 49.250 7.012 3.222
81 HB3 HIS 11 HB1 HIS 11 47.958 8.193 3.550
82 HD1 HIS 11 HD1 HIS 11 48.337 4.801 2.546
83 HD2 HIS 11 HD2 HIS 11 45.988 7.974 1.099
84 HE1 HIS 11 HE1 HIS 11 46.390 3.777 1.247
85 H ALA 12 HN ALA 12 49.009 11.113 1.617
86 HA ALA 12 HA ALA 12 51.639 11.727 2.529
87 HB1 ALA 12 HB1 ALA 12 50.836 13.999 2.756
88 HB2 ALA 12 HB2 ALA 12 49.146 13.440 2.800
89 HB3 ALA 12 HB3 ALA 12 50.102 13.275 1.307
90 H GLY 13 HN GLY 13 48.524 11.496 4.270
91 HA2 GLY 13 HA1 GLY 13 49.877 10.759 6.722
92 HA3 GLY 13 HA2 GLY 13 49.309 12.440 6.777
93 H LYS 14 HN LYS 14 46.932 12.458 5.546
94 HA LYS 14 HA LYS 14 45.249 10.212 6.307
95 HB2 LYS 14 HB2 LYS 14 45.769 11.271 8.547
96 HB3 LYS 14 HB1 LYS 14 44.944 12.739 7.970
97 HG2 LYS 14 HG2 LYS 14 42.870 11.476 7.612
98 HG3 LYS 14 HG1 LYS 14 43.684 9.964 8.083
99 HD2 LYS 14 HD2 LYS 14 44.128 10.909 10.336
100 HD3 LYS 14 HD1 LYS 14 43.288 12.407 9.867
101 HE2 LYS 14 HE2 LYS 14 41.214 11.105 9.448
102 HE3 LYS 14 HE1 LYS 14 42.055 9.618 9.948
103 HZ1 LYS 14 HZ1 LYS 14 40.688 10.792 11.702
104 HZ2 LYS 14 HZ2 LYS 14 41.873 12.009 11.698
105 HZ3 LYS 14 HZ3 LYS 14 42.286 10.418 12.128
106 H HIS 15 HN HIS 15 43.429 10.251 5.127
107 HA HIS 15 HA HIS 15 41.945 11.007 3.508
108 HB2 HIS 15 HB2 HIS 15 41.070 12.181 5.530
109 HB3 HIS 15 HB1 HIS 15 42.085 13.586 5.121
110 HD1 HIS 15 HD1 HIS 15 40.744 15.346 3.987
111 HD2 HIS 15 HD2 HIS 15 39.431 11.484 2.969
112 HE1 HIS 15 HE1 HIS 15 38.850 15.608 2.292
113 H ALA 16 HN ALA 16 44.988 11.720 3.386
114 HA ALA 16 HA ALA 16 46.383 12.878 1.935
115 HB1 ALA 16 HB1 ALA 16 43.886 12.664 0.221
116 HB2 ALA 16 HB2 ALA 16 45.256 11.528 0.275
117 HB3 ALA 16 HB3 ALA 16 45.483 13.166 -0.385
118 H GLY 17 HN GLY 17 44.926 14.463 3.860
119 HA2 GLY 17 HA1 GLY 17 44.059 16.901 2.448
120 HA3 GLY 17 HA2 GLY 17 44.143 16.648 4.203
121 H LYS 18 HN LYS 18 46.820 15.993 2.000
122 HA LYS 18 HA LYS 18 48.925 16.941 1.850
123 HB2 LYS 18 HB2 LYS 18 47.659 19.541 2.781
124 HB3 LYS 18 HB1 LYS 18 49.117 19.326 1.785
125 HG2 LYS 18 HG2 LYS 18 47.725 18.292 -0.003
126 HG3 LYS 18 HG1 LYS 18 46.271 18.574 0.986
127 HD2 LYS 18 HD2 LYS 18 46.656 20.994 0.931
128 HD3 LYS 18 HD1 LYS 18 48.183 20.758 0.047
129 HE2 LYS 18 HE2 LYS 18 46.475 21.353 -1.570
130 HE3 LYS 18 HE1 LYS 18 46.853 19.627 -1.786
131 HZ1 LYS 18 HZ1 LYS 18 44.913 19.460 0.010
132 HZ2 LYS 18 HZ2 LYS 18 44.618 19.466 -1.664
133 HZ3 LYS 18 HZ3 LYS 18 44.432 20.893 -0.761
134 H ALA 19 HN ALA 19 47.307 16.521 4.687
135 HA ALA 19 HA ALA 19 49.667 16.351 6.275
136 HB1 ALA 19 HB1 ALA 19 49.064 18.275 7.876
137 HB2 ALA 19 HB2 ALA 19 48.083 18.921 6.539
138 HB3 ALA 19 HB3 ALA 19 49.840 18.720 6.340
139 H ALA 20 HN ALA 20 46.376 17.647 6.900
140 HA ALA 20 HA ALA 20 45.405 15.099 7.902
141 HB1 ALA 20 HB1 ALA 20 46.812 15.621 9.809
142 HB2 ALA 20 HB2 ALA 20 45.108 15.852 10.265
143 HB3 ALA 20 HB3 ALA 20 46.131 17.262 9.907
144 H LEU 21 HN LEU 21 43.574 15.378 6.718
145 HA LEU 21 HA LEU 21 41.522 16.265 6.097
146 HB2 LEU 21 HB2 LEU 21 41.757 17.173 8.987
147 HB3 LEU 21 HB1 LEU 21 40.324 17.566 8.011
148 HG LEU 21 HG LEU 21 39.887 15.200 7.602
149 HD11 LEU 21 HD11 LEU 21 42.553 14.827 9.021
150 HD12 LEU 21 HD12 LEU 21 42.053 14.220 7.423
151 HD13 LEU 21 HD13 LEU 21 41.362 13.510 8.899
152 HD21 LEU 21 HD21 LEU 21 39.289 14.533 9.851
153 HD22 LEU 21 HD22 LEU 21 39.148 16.306 9.771
154 HD23 LEU 21 HD23 LEU 21 40.563 15.558 10.554
155 H THR 22 HN THR 22 42.283 18.983 8.252
156 HA THR 22 HA THR 22 43.176 20.695 6.045
157 HB THR 22 HB THR 22 40.568 21.531 7.383
158 HG1 THR 22 HG1 THR 22 40.155 20.770 4.887
159 HG21 THR 22 HG21 THR 22 40.459 23.139 5.636
160 HG22 THR 22 HG22 THR 22 41.653 22.270 4.645
161 HG23 THR 22 HG23 THR 22 42.173 23.135 6.109
162 H HIS 23 HN HIS 23 44.365 19.884 8.441
163 HA HIS 23 HA HIS 23 43.970 21.968 10.470
164 HB2 HIS 23 HB2 HIS 23 46.075 19.801 10.109
165 HB3 HIS 23 HB1 HIS 23 45.997 20.896 11.508
166 HD1 HIS 23 HD1 HIS 23 42.700 19.938 10.090
167 HD2 HIS 23 HD2 HIS 23 45.282 18.568 13.113
168 HE1 HIS 23 HE1 HIS 23 41.377 18.300 11.536
169 H TYR 24 HN TYR 24 45.986 23.156 11.286
170 HA TYR 24 HA TYR 24 47.457 24.897 10.845
171 HB2 TYR 24 HB2 TYR 24 48.441 23.095 8.600
172 HB3 TYR 24 HB1 TYR 24 49.359 24.357 9.455
173 HD1 TYR 24 HD1 TYR 24 49.779 24.097 11.958
174 HD2 TYR 24 HD2 TYR 24 48.284 20.879 9.500
175 HE1 TYR 24 HE1 TYR 24 50.451 22.451 13.703
176 HE2 TYR 24 HE2 TYR 24 48.957 19.233 11.246
177 HH TYR 24 HH TYR 24 49.647 20.132 14.400
178 H LEU 25 HN LEU 25 45.841 26.375 10.175
179 HA LEU 25 HA LEU 25 45.058 26.542 7.372
180 HB2 LEU 25 HB2 LEU 25 44.839 28.783 9.409
181 HB3 LEU 25 HB1 LEU 25 43.777 28.427 8.027
182 HG LEU 25 HG LEU 25 44.088 26.751 10.558
183 HD11 LEU 25 HD11 LEU 25 41.774 28.383 9.422
184 HD12 LEU 25 HD12 LEU 25 42.746 28.798 10.854
185 HD13 LEU 25 HD13 LEU 25 41.694 27.362 10.876
186 HD21 LEU 25 HD21 LEU 25 42.111 25.485 9.478
187 HD22 LEU 25 HD22 LEU 25 43.715 25.200 8.768
188 HD23 LEU 25 HD23 LEU 25 42.564 26.292 7.958
Start of MODEL 22
1 H1 GLY 1 HT1 GLY 1 63.179 1.851 -14.898
2 H2 GLY 1 HT2 GLY 1 62.440 0.752 -13.832
3 H3 GLY 1 HT3 GLY 1 63.360 2.045 -13.224
4 HA2 GLY 1 HA1 GLY 1 61.525 3.172 -13.031
5 HA3 GLY 1 HA2 GLY 1 61.530 3.249 -14.804
6 H TRP 2 HN TRP 2 61.172 0.265 -12.946
7 HA TRP 2 HA TRP 2 58.948 -0.678 -14.373
8 HB2 TRP 2 HB2 TRP 2 59.506 -1.197 -11.428
9 HB3 TRP 2 HB1 TRP 2 58.619 -2.249 -12.558
10 HD1 TRP 2 HD1 TRP 2 60.046 -3.429 -14.510
11 HE1 TRP 2 HE1 TRP 2 62.554 -4.099 -14.662
12 HE3 TRP 2 HE3 TRP 2 61.888 -0.534 -10.710
13 HZ2 TRP 2 HZ2 TRP 2 65.006 -3.445 -13.301
14 HZ3 TRP 2 HZ3 TRP 2 64.314 -0.574 -10.154
15 HH2 TRP 2 HH2 TRP 2 65.874 -2.026 -11.445
16 H GLY 3 HN GLY 3 59.107 1.862 -12.050
17 HA2 GLY 3 HA1 GLY 3 57.467 3.235 -11.179
18 HA3 GLY 3 HA2 GLY 3 56.408 2.652 -12.478
19 H SER 4 HN SER 4 57.679 0.158 -10.509
20 HA SER 4 HA SER 4 55.044 -0.544 -9.547
21 HB2 SER 4 HB2 SER 4 56.579 -2.331 -9.883
22 HB3 SER 4 HB1 SER 4 57.844 -1.532 -8.924
23 HG SER 4 HG SER 4 55.689 -1.736 -7.400
24 H PHE 5 HN PHE 5 54.045 0.847 -8.198
25 HA PHE 5 HA PHE 5 55.447 2.359 -6.168
26 HB2 PHE 5 HB2 PHE 5 53.123 2.833 -5.328
27 HB3 PHE 5 HB1 PHE 5 53.349 3.182 -7.059
28 HD1 PHE 5 HD1 PHE 5 52.397 1.693 -8.787
29 HD2 PHE 5 HD2 PHE 5 51.739 0.967 -4.583
30 HE1 PHE 5 HE1 PHE 5 50.555 0.112 -9.348
31 HE2 PHE 5 HE2 PHE 5 49.897 -0.615 -5.145
32 HZ PHE 5 HZ PHE 5 49.353 -1.095 -7.529
33 H PHE 6 HN PHE 6 56.150 1.748 -4.238
34 HA PHE 6 HA PHE 6 55.638 -0.962 -3.281
35 HB2 PHE 6 HB2 PHE 6 56.984 1.391 -1.893
36 HB3 PHE 6 HB1 PHE 6 57.071 -0.316 -1.398
37 HD1 PHE 6 HD1 PHE 6 58.175 -2.003 -2.902
38 HD2 PHE 6 HD2 PHE 6 58.330 2.234 -3.711
39 HE1 PHE 6 HE1 PHE 6 60.073 -2.373 -4.472
40 HE2 PHE 6 HE2 PHE 6 60.229 1.863 -5.281
41 HZ PHE 6 HZ PHE 6 61.137 -0.432 -5.617
42 H LYS 7 HN LYS 7 54.622 -1.580 -1.334
43 HA LYS 7 HA LYS 7 52.150 -0.184 -0.822
44 HB2 LYS 7 HB2 LYS 7 53.588 -2.405 0.682
45 HB3 LYS 7 HB1 LYS 7 51.949 -1.830 1.076
46 HG2 LYS 7 HG2 LYS 7 51.180 -2.393 -1.196
47 HG3 LYS 7 HG1 LYS 7 52.822 -2.921 -1.635
48 HD2 LYS 7 HD2 LYS 7 52.695 -4.602 0.261
49 HD3 LYS 7 HD1 LYS 7 50.979 -4.165 0.448
50 HE2 LYS 7 HE2 LYS 7 52.286 -5.271 -2.076
51 HE3 LYS 7 HE1 LYS 7 51.188 -6.153 -0.988
52 HZ1 LYS 7 HZ1 LYS 7 49.505 -4.409 -1.465
53 HZ2 LYS 7 HZ2 LYS 7 49.934 -5.332 -2.826
54 HZ3 LYS 7 HZ3 LYS 7 50.548 -3.759 -2.635
55 H LYS 8 HN LYS 8 51.443 0.909 1.042
56 HA LYS 8 HA LYS 8 53.331 1.566 3.176
57 HB2 LYS 8 HB2 LYS 8 54.057 3.056 1.246
58 HB3 LYS 8 HB1 LYS 8 52.464 3.842 1.355
59 HG2 LYS 8 HG2 LYS 8 52.896 4.453 3.700
60 HG3 LYS 8 HG1 LYS 8 54.464 3.611 3.648
61 HD2 LYS 8 HD2 LYS 8 55.239 5.144 1.869
62 HD3 LYS 8 HD1 LYS 8 53.669 5.982 1.901
63 HE2 LYS 8 HE2 LYS 8 55.181 7.285 3.256
64 HE3 LYS 8 HE1 LYS 8 54.083 6.440 4.373
65 HZ1 LYS 8 HZ1 LYS 8 56.908 6.232 4.135
66 HZ2 LYS 8 HZ2 LYS 8 56.188 4.709 3.913
67 HZ3 LYS 8 HZ3 LYS 8 55.884 5.598 5.329
68 H ALA 9 HN ALA 9 50.296 2.141 1.446
69 HA ALA 9 HA ALA 9 48.179 2.668 2.232
70 HB1 ALA 9 HB1 ALA 9 47.488 1.628 4.286
71 HB2 ALA 9 HB2 ALA 9 49.167 1.545 4.871
72 HB3 ALA 9 HB3 ALA 9 48.652 0.540 3.496
73 H ALA 10 HN ALA 10 48.421 4.921 2.055
74 HA ALA 10 HA ALA 10 48.095 6.319 4.586
75 HB1 ALA 10 HB1 ALA 10 50.564 7.019 2.968
76 HB2 ALA 10 HB2 ALA 10 50.596 6.028 4.446
77 HB3 ALA 10 HB3 ALA 10 50.044 7.718 4.519
78 H HIS 11 HN HIS 11 46.143 6.498 3.129
79 HA HIS 11 HA HIS 11 46.100 9.156 2.001
80 HB2 HIS 11 HB2 HIS 11 47.268 7.996 0.137
81 HB3 HIS 11 HB1 HIS 11 45.900 6.864 0.008
82 HD1 HIS 11 HD1 HIS 11 44.265 7.507 -1.749
83 HD2 HIS 11 HD2 HIS 11 46.048 10.871 0.035
84 HE1 HIS 11 HE1 HIS 11 43.322 9.576 -2.913
85 H ALA 12 HN ALA 12 44.021 9.903 1.690
86 HA ALA 12 HA ALA 12 41.745 8.158 1.411
87 HB1 ALA 12 HB1 ALA 12 40.758 8.575 3.676
88 HB2 ALA 12 HB2 ALA 12 42.335 9.218 4.194
89 HB3 ALA 12 HB3 ALA 12 42.187 7.515 3.698
90 H GLY 13 HN GLY 13 43.027 11.243 2.649
91 HA2 GLY 13 HA1 GLY 13 40.591 12.724 2.272
92 HA3 GLY 13 HA2 GLY 13 42.224 13.404 2.428
93 H LYS 14 HN LYS 14 43.588 13.501 0.524
94 HA LYS 14 HA LYS 14 42.215 13.194 -2.096
95 HB2 LYS 14 HB2 LYS 14 43.227 15.870 -1.045
96 HB3 LYS 14 HB1 LYS 14 42.782 15.546 -2.737
97 HG2 LYS 14 HG2 LYS 14 40.494 14.800 -1.866
98 HG3 LYS 14 HG1 LYS 14 40.974 15.468 -0.288
99 HD2 LYS 14 HD2 LYS 14 41.378 17.677 -1.356
100 HD3 LYS 14 HD1 LYS 14 40.852 17.005 -2.919
101 HE2 LYS 14 HE2 LYS 14 38.632 16.480 -1.948
102 HE3 LYS 14 HE1 LYS 14 39.155 17.160 -0.388
103 HZ1 LYS 14 HZ1 LYS 14 39.643 19.258 -1.681
104 HZ2 LYS 14 HZ2 LYS 14 38.001 18.867 -1.491
105 HZ3 LYS 14 HZ3 LYS 14 38.781 18.575 -2.972
106 H HIS 15 HN HIS 15 45.079 14.106 -0.192
107 HA HIS 15 HA HIS 15 46.794 12.537 -1.937
108 HB2 HIS 15 HB2 HIS 15 46.475 14.616 -3.313
109 HB3 HIS 15 HB1 HIS 15 47.201 15.551 -1.985
110 HD1 HIS 15 HD1 HIS 15 48.372 12.082 -3.034
111 HD2 HIS 15 HD2 HIS 15 49.624 16.083 -3.347
112 HE1 HIS 15 HE1 HIS 15 50.781 12.061 -3.882
113 H ALA 16 HN ALA 16 46.097 12.735 0.876
114 HA ALA 16 HA ALA 16 48.752 12.580 1.977
115 HB1 ALA 16 HB1 ALA 16 48.776 14.984 1.893
116 HB2 ALA 16 HB2 ALA 16 48.513 14.505 3.586
117 HB3 ALA 16 HB3 ALA 16 47.146 15.077 2.600
118 H GLY 17 HN GLY 17 45.342 13.381 2.747
119 HA2 GLY 17 HA1 GLY 17 43.857 12.170 4.076
120 HA3 GLY 17 HA2 GLY 17 45.122 10.965 4.386
121 H LYS 18 HN LYS 18 47.112 12.778 5.374
122 HA LYS 18 HA LYS 18 46.561 12.749 8.122
123 HB2 LYS 18 HB2 LYS 18 48.329 14.650 6.539
124 HB3 LYS 18 HB1 LYS 18 48.375 14.469 8.308
125 HG2 LYS 18 HG2 LYS 18 48.802 11.997 7.965
126 HG3 LYS 18 HG1 LYS 18 48.962 12.324 6.224
127 HD2 LYS 18 HD2 LYS 18 50.640 13.625 8.417
128 HD3 LYS 18 HD1 LYS 18 51.174 12.281 7.380
129 HE2 LYS 18 HE2 LYS 18 52.056 14.136 6.238
130 HE3 LYS 18 HE1 LYS 18 50.500 13.927 5.401
131 HZ1 LYS 18 HZ1 LYS 18 50.250 15.533 7.756
132 HZ2 LYS 18 HZ2 LYS 18 49.797 15.882 6.156
133 HZ3 LYS 18 HZ3 LYS 18 51.384 16.188 6.679
134 H ALA 19 HN ALA 19 46.075 15.417 5.784
135 HA ALA 19 HA ALA 19 43.788 16.423 7.215
136 HB1 ALA 19 HB1 ALA 19 44.819 18.607 7.923
137 HB2 ALA 19 HB2 ALA 19 46.418 17.885 7.617
138 HB3 ALA 19 HB3 ALA 19 45.355 17.200 8.870
139 H ALA 20 HN ALA 20 44.023 15.746 4.633
140 HA ALA 20 HA ALA 20 43.791 16.542 2.465
141 HB1 ALA 20 HB1 ALA 20 42.953 19.045 3.970
142 HB2 ALA 20 HB2 ALA 20 41.893 17.705 3.470
143 HB3 ALA 20 HB3 ALA 20 42.663 18.738 2.242
144 H LEU 21 HN LEU 21 45.931 16.445 1.798
145 HA LEU 21 HA LEU 21 47.980 17.287 1.097
146 HB2 LEU 21 HB2 LEU 21 46.153 19.699 0.830
147 HB3 LEU 21 HB1 LEU 21 47.870 19.787 0.369
148 HG LEU 21 HG LEU 21 47.580 17.950 -1.225
149 HD11 LEU 21 HD11 LEU 21 45.957 16.529 -0.215
150 HD12 LEU 21 HD12 LEU 21 45.137 17.184 -1.650
151 HD13 LEU 21 HD13 LEU 21 44.778 17.852 -0.039
152 HD21 LEU 21 HD21 LEU 21 46.190 19.099 -2.847
153 HD22 LEU 21 HD22 LEU 21 46.999 20.338 -1.858
154 HD23 LEU 21 HD23 LEU 21 45.290 19.935 -1.559
155 H THR 22 HN THR 22 47.361 17.257 3.974
156 HA THR 22 HA THR 22 48.285 18.027 5.958
157 HB THR 22 HB THR 22 50.514 19.081 4.162
158 HG1 THR 22 HG1 THR 22 51.041 17.074 3.917
159 HG21 THR 22 HG21 THR 22 50.706 19.951 6.409
160 HG22 THR 22 HG22 THR 22 51.874 18.615 6.253
161 HG23 THR 22 HG23 THR 22 50.336 18.358 7.113
162 H HIS 23 HN HIS 23 46.839 19.562 6.636
163 HA HIS 23 HA HIS 23 46.537 22.162 5.538
164 HB2 HIS 23 HB2 HIS 23 44.947 21.140 7.133
165 HB3 HIS 23 HB1 HIS 23 46.164 21.268 8.425
166 HD1 HIS 23 HD1 HIS 23 45.404 23.903 5.756
167 HD2 HIS 23 HD2 HIS 23 44.956 23.328 9.898
168 HE1 HIS 23 HE1 HIS 23 44.654 26.130 6.758
169 H TYR 24 HN TYR 24 47.986 21.572 8.760
170 HA TYR 24 HA TYR 24 50.448 22.962 8.108
171 HB2 TYR 24 HB2 TYR 24 48.754 24.862 8.190
172 HB3 TYR 24 HB1 TYR 24 48.526 24.477 9.913
173 HD1 TYR 24 HD1 TYR 24 50.432 24.692 11.517
174 HD2 TYR 24 HD2 TYR 24 50.765 25.959 7.404
175 HE1 TYR 24 HE1 TYR 24 52.472 26.005 12.085
176 HE2 TYR 24 HE2 TYR 24 52.804 27.272 7.973
177 HH TYR 24 HH TYR 24 53.805 28.206 10.695
178 H LEU 25 HN LEU 25 51.929 22.096 9.396
179 HA LEU 25 HA LEU 25 51.132 20.495 11.688
180 HB2 LEU 25 HB2 LEU 25 53.964 21.416 11.093
181 HB3 LEU 25 HB1 LEU 25 53.420 19.899 11.850
182 HG LEU 25 HG LEU 25 53.039 20.726 8.937
183 HD11 LEU 25 HD11 LEU 25 54.537 18.875 8.457
184 HD12 LEU 25 HD12 LEU 25 54.557 18.386 10.168
185 HD13 LEU 25 HD13 LEU 25 55.320 19.915 9.670
186 HD21 LEU 25 HD21 LEU 25 51.064 19.504 9.546
187 HD22 LEU 25 HD22 LEU 25 51.991 18.360 10.548
188 HD23 LEU 25 HD23 LEU 25 52.136 18.314 8.774
Start of MODEL 23
1 H1 GLY 1 HT1 GLY 1 59.315 -4.415 -9.498
2 H2 GLY 1 HT2 GLY 1 58.649 -2.860 -9.344
3 H3 GLY 1 HT3 GLY 1 59.900 -3.148 -10.458
4 HA2 GLY 1 HA1 GLY 1 57.849 -2.968 -11.601
5 HA3 GLY 1 HA2 GLY 1 58.488 -4.620 -11.702
6 H TRP 2 HN TRP 2 56.966 -3.118 -8.864
7 HA TRP 2 HA TRP 2 54.356 -4.274 -9.335
8 HB2 TRP 2 HB2 TRP 2 55.705 -6.358 -8.893
9 HB3 TRP 2 HB1 TRP 2 56.071 -5.715 -7.274
10 HD1 TRP 2 HD1 TRP 2 53.069 -6.783 -9.450
11 HE1 TRP 2 HE1 TRP 2 51.098 -7.483 -7.904
12 HE3 TRP 2 HE3 TRP 2 55.117 -5.550 -4.923
13 HZ2 TRP 2 HZ2 TRP 2 50.521 -7.492 -5.083
14 HZ3 TRP 2 HZ3 TRP 2 53.838 -5.913 -2.817
15 HH2 TRP 2 HH2 TRP 2 51.544 -6.883 -2.893
16 H GLY 3 HN GLY 3 56.607 -2.381 -7.699
17 HA2 GLY 3 HA1 GLY 3 54.533 -1.047 -6.187
18 HA3 GLY 3 HA2 GLY 3 55.570 -2.022 -5.128
19 H SER 4 HN SER 4 57.452 -1.176 -7.711
20 HA SER 4 HA SER 4 58.999 0.695 -6.143
21 HB2 SER 4 HB2 SER 4 60.442 0.822 -8.057
22 HB3 SER 4 HB1 SER 4 59.865 -0.858 -7.959
23 HG SER 4 HG SER 4 59.374 -0.411 -9.987
24 H PHE 5 HN PHE 5 57.943 2.538 -5.568
25 HA PHE 5 HA PHE 5 56.918 4.605 -5.831
26 HB2 PHE 5 HB2 PHE 5 58.457 4.455 -8.453
27 HB3 PHE 5 HB1 PHE 5 57.673 5.927 -7.827
28 HD1 PHE 5 HD1 PHE 5 60.435 3.508 -7.355
29 HD2 PHE 5 HD2 PHE 5 58.519 7.056 -5.814
30 HE1 PHE 5 HE1 PHE 5 62.420 3.955 -5.917
31 HE2 PHE 5 HE2 PHE 5 60.504 7.503 -4.375
32 HZ PHE 5 HZ PHE 5 62.435 5.927 -4.393
33 H PHE 6 HN PHE 6 55.588 6.015 -7.497
34 HA PHE 6 HA PHE 6 53.541 6.146 -8.584
35 HB2 PHE 6 HB2 PHE 6 54.481 3.682 -10.097
36 HB3 PHE 6 HB1 PHE 6 53.342 4.932 -10.653
37 HD1 PHE 6 HD1 PHE 6 54.165 7.295 -11.025
38 HD2 PHE 6 HD2 PHE 6 56.860 4.008 -10.272
39 HE1 PHE 6 HE1 PHE 6 56.061 8.646 -11.908
40 HE2 PHE 6 HE2 PHE 6 58.756 5.362 -11.157
41 HZ PHE 6 HZ PHE 6 58.370 7.712 -11.886
42 H LYS 7 HN LYS 7 51.579 4.689 -9.393
43 HA LYS 7 HA LYS 7 49.816 3.374 -8.667
44 HB2 LYS 7 HB2 LYS 7 51.972 1.558 -7.524
45 HB3 LYS 7 HB1 LYS 7 50.316 1.107 -7.999
46 HG2 LYS 7 HG2 LYS 7 50.844 1.796 -10.351
47 HG3 LYS 7 HG1 LYS 7 52.524 2.107 -9.850
48 HD2 LYS 7 HD2 LYS 7 52.852 -0.217 -9.249
49 HD3 LYS 7 HD1 LYS 7 51.124 -0.574 -9.487
50 HE2 LYS 7 HE2 LYS 7 52.387 -1.331 -11.446
51 HE3 LYS 7 HE1 LYS 7 51.365 0.053 -11.899
52 HZ1 LYS 7 HZ1 LYS 7 53.175 1.141 -12.519
53 HZ2 LYS 7 HZ2 LYS 7 54.149 -0.189 -12.105
54 HZ3 LYS 7 HZ3 LYS 7 53.826 1.022 -10.957
55 H LYS 8 HN LYS 8 49.164 1.920 -6.529
56 HA LYS 8 HA LYS 8 48.751 3.882 -4.495
57 HB2 LYS 8 HB2 LYS 8 47.959 1.935 -3.124
58 HB3 LYS 8 HB1 LYS 8 47.231 2.008 -4.747
59 HG2 LYS 8 HG2 LYS 8 48.956 0.379 -5.554
60 HG3 LYS 8 HG1 LYS 8 49.573 0.251 -3.889
61 HD2 LYS 8 HD2 LYS 8 47.303 -0.485 -3.137
62 HD3 LYS 8 HD1 LYS 8 46.755 -0.442 -4.829
63 HE2 LYS 8 HE2 LYS 8 49.109 -2.109 -3.844
64 HE3 LYS 8 HE1 LYS 8 47.456 -2.738 -4.042
65 HZ1 LYS 8 HZ1 LYS 8 49.437 -2.059 -6.051
66 HZ2 LYS 8 HZ2 LYS 8 47.859 -1.539 -6.402
67 HZ3 LYS 8 HZ3 LYS 8 48.169 -3.183 -6.109
68 H ALA 9 HN ALA 9 49.361 3.613 -2.172
69 HA ALA 9 HA ALA 9 51.788 2.186 -1.502
70 HB1 ALA 9 HB1 ALA 9 52.915 3.846 -2.827
71 HB2 ALA 9 HB2 ALA 9 53.186 4.248 -1.114
72 HB3 ALA 9 HB3 ALA 9 51.990 5.162 -2.065
73 H ALA 10 HN ALA 10 50.542 5.445 -0.642
74 HA ALA 10 HA ALA 10 49.265 4.456 1.784
75 HB1 ALA 10 HB1 ALA 10 50.784 5.741 3.335
76 HB2 ALA 10 HB2 ALA 10 51.930 5.895 1.982
77 HB3 ALA 10 HB3 ALA 10 51.514 4.285 2.619
78 H HIS 11 HN HIS 11 50.316 6.951 -0.395
79 HA HIS 11 HA HIS 11 49.221 9.234 0.925
80 HB2 HIS 11 HB2 HIS 11 49.247 8.792 -2.081
81 HB3 HIS 11 HB1 HIS 11 49.375 10.329 -1.191
82 HD1 HIS 11 HD1 HIS 11 51.464 9.380 0.972
83 HD2 HIS 11 HD2 HIS 11 51.839 8.838 -3.182
84 HE1 HIS 11 HE1 HIS 11 53.946 9.053 0.468
85 H ALA 12 HN ALA 12 47.218 8.973 1.829
86 HA ALA 12 HA ALA 12 44.958 9.172 0.019
87 HB1 ALA 12 HB1 ALA 12 45.352 6.586 1.557
88 HB2 ALA 12 HB2 ALA 12 45.225 6.785 -0.208
89 HB3 ALA 12 HB3 ALA 12 43.810 7.093 0.828
90 H GLY 13 HN GLY 13 44.935 11.100 1.373
91 HA2 GLY 13 HA1 GLY 13 44.134 12.326 3.165
92 HA3 GLY 13 HA2 GLY 13 42.936 11.030 3.337
93 H LYS 14 HN LYS 14 46.443 11.520 3.969
94 HA LYS 14 HA LYS 14 46.126 11.159 6.814
95 HB2 LYS 14 HB2 LYS 14 45.701 8.808 6.112
96 HB3 LYS 14 HB1 LYS 14 47.286 8.779 5.307
97 HG2 LYS 14 HG2 LYS 14 48.434 9.159 7.423
98 HG3 LYS 14 HG1 LYS 14 46.885 9.397 8.265
99 HD2 LYS 14 HD2 LYS 14 46.234 7.068 7.754
100 HD3 LYS 14 HD1 LYS 14 47.769 6.824 6.885
101 HE2 LYS 14 HE2 LYS 14 47.920 5.931 9.184
102 HE3 LYS 14 HE1 LYS 14 49.023 7.313 8.972
103 HZ1 LYS 14 HZ1 LYS 14 47.815 8.596 10.355
104 HZ2 LYS 14 HZ2 LYS 14 47.291 7.106 10.983
105 HZ3 LYS 14 HZ3 LYS 14 46.325 7.949 9.868
106 H HIS 15 HN HIS 15 48.661 9.797 4.694
107 HA HIS 15 HA HIS 15 50.691 11.417 6.058
108 HB2 HIS 15 HB2 HIS 15 51.011 9.038 5.213
109 HB3 HIS 15 HB1 HIS 15 51.011 9.703 3.563
110 HD1 HIS 15 HD1 HIS 15 52.509 11.817 6.267
111 HD2 HIS 15 HD2 HIS 15 53.845 8.978 3.468
112 HE1 HIS 15 HE1 HIS 15 55.051 12.030 6.119
113 H ALA 16 HN ALA 16 48.578 11.835 3.406
114 HA ALA 16 HA ALA 16 50.247 13.413 1.678
115 HB1 ALA 16 HB1 ALA 16 48.165 14.141 0.666
116 HB2 ALA 16 HB2 ALA 16 47.243 13.604 2.093
117 HB3 ALA 16 HB3 ALA 16 48.050 12.407 1.049
118 H GLY 17 HN GLY 17 48.180 14.202 4.470
119 HA2 GLY 17 HA1 GLY 17 49.695 16.657 4.924
120 HA3 GLY 17 HA2 GLY 17 48.047 16.959 4.337
121 H LYS 18 HN LYS 18 49.241 14.358 6.470
122 HA LYS 18 HA LYS 18 48.577 13.761 8.609
123 HB2 LYS 18 HB2 LYS 18 48.052 16.722 9.044
124 HB3 LYS 18 HB1 LYS 18 48.471 15.496 10.265
125 HG2 LYS 18 HG2 LYS 18 50.654 15.135 8.994
126 HG3 LYS 18 HG1 LYS 18 50.241 16.578 8.034
127 HD2 LYS 18 HD2 LYS 18 50.088 17.912 10.129
128 HD3 LYS 18 HD1 LYS 18 50.550 16.472 11.068
129 HE2 LYS 18 HE2 LYS 18 52.566 17.746 10.737
130 HE3 LYS 18 HE1 LYS 18 52.659 16.355 9.630
131 HZ1 LYS 18 HZ1 LYS 18 53.248 18.278 8.404
132 HZ2 LYS 18 HZ2 LYS 18 51.907 19.156 8.970
133 HZ3 LYS 18 HZ3 LYS 18 51.685 17.856 7.899
134 H ALA 19 HN ALA 19 46.660 13.094 6.985
135 HA ALA 19 HA ALA 19 44.370 12.804 6.736
136 HB1 ALA 19 HB1 ALA 19 43.093 12.670 8.820
137 HB2 ALA 19 HB2 ALA 19 44.380 13.546 9.682
138 HB3 ALA 19 HB3 ALA 19 44.694 11.923 9.023
139 H ALA 20 HN ALA 20 44.857 15.043 5.548
140 HA ALA 20 HA ALA 20 42.479 16.622 5.968
141 HB1 ALA 20 HB1 ALA 20 45.117 17.863 6.822
142 HB2 ALA 20 HB2 ALA 20 43.711 17.531 7.863
143 HB3 ALA 20 HB3 ALA 20 43.599 18.757 6.577
144 H LEU 21 HN LEU 21 45.663 16.144 4.568
145 HA LEU 21 HA LEU 21 46.389 16.456 2.394
146 HB2 LEU 21 HB2 LEU 21 43.843 15.827 1.968
147 HB3 LEU 21 HB1 LEU 21 43.695 17.537 1.517
148 HG LEU 21 HG LEU 21 45.600 15.486 0.301
149 HD11 LEU 21 HD11 LEU 21 43.231 17.036 -0.837
150 HD12 LEU 21 HD12 LEU 21 43.242 15.303 -0.428
151 HD13 LEU 21 HD13 LEU 21 44.269 15.912 -1.748
152 HD21 LEU 21 HD21 LEU 21 45.332 18.499 -0.058
153 HD22 LEU 21 HD22 LEU 21 46.038 17.463 -1.322
154 HD23 LEU 21 HD23 LEU 21 46.800 17.553 0.282
155 H THR 22 HN THR 22 43.904 19.043 2.662
156 HA THR 22 HA THR 22 45.532 21.065 1.525
157 HB THR 22 HB THR 22 43.974 22.677 2.674
158 HG1 THR 22 HG1 THR 22 43.460 21.712 4.546
159 HG21 THR 22 HG21 THR 22 43.364 21.683 0.513
160 HG22 THR 22 HG22 THR 22 41.918 21.831 1.542
161 HG23 THR 22 HG23 THR 22 42.708 20.249 1.336
162 H HIS 23 HN HIS 23 45.606 19.619 4.678
163 HA HIS 23 HA HIS 23 46.845 20.118 6.578
164 HB2 HIS 23 HB2 HIS 23 48.675 19.729 4.928
165 HB3 HIS 23 HB1 HIS 23 48.686 21.472 4.567
166 HD1 HIS 23 HD1 HIS 23 50.218 22.863 5.959
167 HD2 HIS 23 HD2 HIS 23 49.139 19.288 7.894
168 HE1 HIS 23 HE1 HIS 23 51.529 22.757 8.150
169 H TYR 24 HN TYR 24 44.946 21.610 7.023
170 HA TYR 24 HA TYR 24 45.013 24.388 6.579
171 HB2 TYR 24 HB2 TYR 24 43.661 24.544 8.697
172 HB3 TYR 24 HB1 TYR 24 43.066 23.323 7.546
173 HD1 TYR 24 HD1 TYR 24 44.839 23.867 10.761
174 HD2 TYR 24 HD2 TYR 24 43.269 20.934 8.013
175 HE1 TYR 24 HE1 TYR 24 45.092 22.103 12.500
176 HE2 TYR 24 HE2 TYR 24 43.522 19.168 9.753
177 HH TYR 24 HH TYR 24 44.125 19.764 12.986
178 H LEU 25 HN LEU 25 45.248 26.037 8.455
179 HA LEU 25 HA LEU 25 47.395 25.500 10.361
180 HB2 LEU 25 HB2 LEU 25 48.813 27.451 9.248
181 HB3 LEU 25 HB1 LEU 25 48.980 25.780 8.662
182 HG LEU 25 HG LEU 25 47.431 26.214 6.821
183 HD11 LEU 25 HD11 LEU 25 46.698 28.673 6.486
184 HD12 LEU 25 HD12 LEU 25 47.110 28.909 8.202
185 HD13 LEU 25 HD13 LEU 25 45.843 27.747 7.738
186 HD21 LEU 25 HD21 LEU 25 49.881 26.853 6.649
187 HD22 LEU 25 HD22 LEU 25 49.406 28.527 7.023
188 HD23 LEU 25 HD23 LEU 25 48.809 27.742 5.541
Start of MODEL 24
1 H1 GLY 1 HT1 GLY 1 58.070 2.255 -13.560
2 H2 GLY 1 HT2 GLY 1 58.309 1.817 -15.184
3 H3 GLY 1 HT3 GLY 1 58.960 0.863 -13.937
4 HA2 GLY 1 HA1 GLY 1 56.080 1.343 -14.161
5 HA3 GLY 1 HA2 GLY 1 56.882 0.064 -15.093
6 H TRP 2 HN TRP 2 56.469 -1.831 -14.187
7 HA TRP 2 HA TRP 2 55.850 -2.133 -11.386
8 HB2 TRP 2 HB2 TRP 2 55.963 -4.555 -11.862
9 HB3 TRP 2 HB1 TRP 2 55.034 -3.695 -13.112
10 HD1 TRP 2 HD1 TRP 2 58.194 -5.694 -12.558
11 HE1 TRP 2 HE1 TRP 2 59.401 -6.117 -14.823
12 HE3 TRP 2 HE3 TRP 2 55.428 -2.584 -15.539
13 HZ2 TRP 2 HZ2 TRP 2 59.171 -5.209 -17.546
14 HZ3 TRP 2 HZ3 TRP 2 55.940 -2.379 -17.968
15 HH2 TRP 2 HH2 TRP 2 57.806 -3.687 -18.972
16 H GLY 3 HN GLY 3 58.812 -2.330 -13.293
17 HA2 GLY 3 HA1 GLY 3 60.482 -3.781 -11.588
18 HA3 GLY 3 HA2 GLY 3 61.017 -2.416 -12.588
19 H SER 4 HN SER 4 60.152 -0.200 -11.586
20 HA SER 4 HA SER 4 61.545 0.005 -9.033
21 HB2 SER 4 HB2 SER 4 59.828 2.092 -10.427
22 HB3 SER 4 HB1 SER 4 61.086 2.373 -9.203
23 HG SER 4 HG SER 4 61.467 1.201 -11.776
24 H PHE 5 HN PHE 5 60.087 -1.634 -7.974
25 HA PHE 5 HA PHE 5 57.361 -1.165 -7.420
26 HB2 PHE 5 HB2 PHE 5 59.406 -2.316 -5.482
27 HB3 PHE 5 HB1 PHE 5 57.652 -2.620 -5.502
28 HD1 PHE 5 HD1 PHE 5 56.614 -3.900 -7.378
29 HD2 PHE 5 HD2 PHE 5 60.891 -3.433 -7.039
30 HE1 PHE 5 HE1 PHE 5 56.945 -5.764 -8.998
31 HE2 PHE 5 HE2 PHE 5 61.223 -5.299 -8.658
32 HZ PHE 5 HZ PHE 5 59.249 -6.418 -9.688
33 H PHE 6 HN PHE 6 56.734 0.899 -6.970
34 HA PHE 6 HA PHE 6 58.175 2.564 -5.064
35 HB2 PHE 6 HB2 PHE 6 55.417 2.799 -6.328
36 HB3 PHE 6 HB1 PHE 6 56.151 4.042 -5.287
37 HD1 PHE 6 HD1 PHE 6 58.301 5.149 -5.979
38 HD2 PHE 6 HD2 PHE 6 56.124 2.518 -8.618
39 HE1 PHE 6 HE1 PHE 6 59.576 6.045 -7.923
40 HE2 PHE 6 HE2 PHE 6 57.399 3.414 -10.562
41 HZ PHE 6 HZ PHE 6 59.155 5.146 -10.209
42 H LYS 7 HN LYS 7 54.915 1.034 -5.004
43 HA LYS 7 HA LYS 7 53.574 0.468 -3.193
44 HB2 LYS 7 HB2 LYS 7 56.305 -0.156 -1.998
45 HB3 LYS 7 HB1 LYS 7 54.748 -0.685 -1.316
46 HG2 LYS 7 HG2 LYS 7 54.253 -2.036 -3.237
47 HG3 LYS 7 HG1 LYS 7 55.568 -1.302 -4.182
48 HD2 LYS 7 HD2 LYS 7 56.155 -3.580 -3.325
49 HD3 LYS 7 HD1 LYS 7 57.248 -2.314 -2.716
50 HE2 LYS 7 HE2 LYS 7 56.326 -4.056 -1.009
51 HE3 LYS 7 HE1 LYS 7 56.266 -2.336 -0.557
52 HZ1 LYS 7 HZ1 LYS 7 53.970 -3.384 -2.021
53 HZ2 LYS 7 HZ2 LYS 7 54.030 -2.278 -0.731
54 HZ3 LYS 7 HZ3 LYS 7 54.162 -3.946 -0.432
55 H LYS 8 HN LYS 8 53.405 3.003 -3.248
56 HA LYS 8 HA LYS 8 53.409 3.828 -0.438
57 HB2 LYS 8 HB2 LYS 8 55.772 4.310 -1.146
58 HB3 LYS 8 HB1 LYS 8 55.128 5.406 -2.392
59 HG2 LYS 8 HG2 LYS 8 54.043 6.781 -0.677
60 HG3 LYS 8 HG1 LYS 8 54.568 5.653 0.595
61 HD2 LYS 8 HD2 LYS 8 56.907 6.160 0.172
62 HD3 LYS 8 HD1 LYS 8 56.482 7.139 -1.252
63 HE2 LYS 8 HE2 LYS 8 55.546 7.753 1.583
64 HE3 LYS 8 HE1 LYS 8 56.961 8.509 0.813
65 HZ1 LYS 8 HZ1 LYS 8 55.105 9.933 0.486
66 HZ2 LYS 8 HZ2 LYS 8 54.125 8.661 -0.072
67 HZ3 LYS 8 HZ3 LYS 8 55.434 9.205 -1.010
68 H ALA 9 HN ALA 9 51.230 4.166 -0.640
69 HA ALA 9 HA ALA 9 50.433 6.707 -1.774
70 HB1 ALA 9 HB1 ALA 9 50.589 5.267 -3.841
71 HB2 ALA 9 HB2 ALA 9 48.979 5.963 -3.536
72 HB3 ALA 9 HB3 ALA 9 49.298 4.254 -3.154
73 H ALA 10 HN ALA 10 48.855 7.443 -0.510
74 HA ALA 10 HA ALA 10 46.640 5.743 0.315
75 HB1 ALA 10 HB1 ALA 10 48.620 6.614 2.448
76 HB2 ALA 10 HB2 ALA 10 48.389 4.945 1.873
77 HB3 ALA 10 HB3 ALA 10 47.070 5.786 2.722
78 H HIS 11 HN HIS 11 45.323 6.950 2.094
79 HA HIS 11 HA HIS 11 45.654 9.811 2.298
80 HB2 HIS 11 HB2 HIS 11 43.597 10.394 0.925
81 HB3 HIS 11 HB1 HIS 11 45.028 9.919 -0.019
82 HD1 HIS 11 HD1 HIS 11 45.078 7.072 -0.366
83 HD2 HIS 11 HD2 HIS 11 41.396 9.082 -0.079
84 HE1 HIS 11 HE1 HIS 11 43.291 5.531 -1.346
85 H ALA 12 HN ALA 12 45.255 7.824 4.159
86 HA ALA 12 HA ALA 12 42.486 7.403 4.820
87 HB1 ALA 12 HB1 ALA 12 44.827 7.476 6.746
88 HB2 ALA 12 HB2 ALA 12 44.482 6.098 5.672
89 HB3 ALA 12 HB3 ALA 12 43.301 6.577 6.915
90 H GLY 13 HN GLY 13 41.700 9.613 4.394
91 HA2 GLY 13 HA1 GLY 13 41.093 10.975 6.790
92 HA3 GLY 13 HA2 GLY 13 42.480 11.811 6.065
93 H LYS 14 HN LYS 14 42.277 12.727 3.949
94 HA LYS 14 HA LYS 14 39.733 12.757 2.576
95 HB2 LYS 14 HB2 LYS 14 39.221 14.158 4.636
96 HB3 LYS 14 HB1 LYS 14 40.421 15.330 4.042
97 HG2 LYS 14 HG2 LYS 14 39.162 15.621 1.958
98 HG3 LYS 14 HG1 LYS 14 37.998 14.370 2.456
99 HD2 LYS 14 HD2 LYS 14 37.503 15.795 4.508
100 HD3 LYS 14 HD1 LYS 14 38.474 17.084 3.754
101 HE2 LYS 14 HE2 LYS 14 36.989 17.069 1.782
102 HE3 LYS 14 HE1 LYS 14 36.034 15.748 2.497
103 HZ1 LYS 14 HZ1 LYS 14 35.823 18.525 2.952
104 HZ2 LYS 14 HZ2 LYS 14 36.240 17.764 4.412
105 HZ3 LYS 14 HZ3 LYS 14 34.854 17.273 3.561
106 H HIS 15 HN HIS 15 42.215 15.260 3.290
107 HA HIS 15 HA HIS 15 42.511 15.940 0.498
108 HB2 HIS 15 HB2 HIS 15 43.021 17.481 2.400
109 HB3 HIS 15 HB1 HIS 15 44.428 16.468 2.804
110 HD1 HIS 15 HD1 HIS 15 46.154 16.081 0.652
111 HD2 HIS 15 HD2 HIS 15 43.583 19.403 0.490
112 HE1 HIS 15 HE1 HIS 15 47.134 17.720 -1.044
113 H ALA 16 HN ALA 16 44.829 14.399 2.779
114 HA ALA 16 HA ALA 16 45.586 12.392 0.809
115 HB1 ALA 16 HB1 ALA 16 46.741 14.429 -0.083
116 HB2 ALA 16 HB2 ALA 16 47.857 13.127 0.400
117 HB3 ALA 16 HB3 ALA 16 47.631 14.545 1.454
118 H GLY 17 HN GLY 17 45.415 13.739 3.881
119 HA2 GLY 17 HA1 GLY 17 46.196 11.348 5.198
120 HA3 GLY 17 HA2 GLY 17 47.578 12.460 5.231
121 H LYS 18 HN LYS 18 44.032 12.942 5.484
122 HA LYS 18 HA LYS 18 42.787 14.054 7.089
123 HB2 LYS 18 HB2 LYS 18 43.766 12.164 8.488
124 HB3 LYS 18 HB1 LYS 18 44.999 13.321 9.041
125 HG2 LYS 18 HG2 LYS 18 43.152 14.851 9.800
126 HG3 LYS 18 HG1 LYS 18 41.979 13.582 9.370
127 HD2 LYS 18 HD2 LYS 18 43.250 12.014 10.911
128 HD3 LYS 18 HD1 LYS 18 44.194 13.421 11.457
129 HE2 LYS 18 HE2 LYS 18 41.209 12.931 11.753
130 HE3 LYS 18 HE1 LYS 18 42.411 13.220 13.033
131 HZ1 LYS 18 HZ1 LYS 18 41.364 15.152 11.036
132 HZ2 LYS 18 HZ2 LYS 18 42.764 15.453 11.952
133 HZ3 LYS 18 HZ3 LYS 18 41.267 15.238 12.726
134 H ALA 19 HN ALA 19 42.674 16.179 6.760
135 HA ALA 19 HA ALA 19 43.258 18.423 6.792
136 HB1 ALA 19 HB1 ALA 19 44.919 17.597 9.197
137 HB2 ALA 19 HB2 ALA 19 43.176 17.957 9.236
138 HB3 ALA 19 HB3 ALA 19 44.341 19.235 8.815
139 H ALA 20 HN ALA 20 44.817 16.688 5.112
140 HA ALA 20 HA ALA 20 46.802 16.694 3.908
141 HB1 ALA 20 HB1 ALA 20 46.125 18.901 3.268
142 HB2 ALA 20 HB2 ALA 20 47.863 18.976 3.644
143 HB3 ALA 20 HB3 ALA 20 46.671 19.584 4.818
144 H LEU 21 HN LEU 21 47.339 15.335 6.018
145 HA LEU 21 HA LEU 21 48.978 14.723 7.536
146 HB2 LEU 21 HB2 LEU 21 50.308 15.150 5.345
147 HB3 LEU 21 HB1 LEU 21 50.825 16.667 6.113
148 HG LEU 21 HG LEU 21 51.453 15.073 8.167
149 HD11 LEU 21 HD11 LEU 21 51.498 13.166 5.779
150 HD12 LEU 21 HD12 LEU 21 50.517 12.994 7.253
151 HD13 LEU 21 HD13 LEU 21 52.286 12.855 7.342
152 HD21 LEU 21 HD21 LEU 21 53.726 14.778 7.202
153 HD22 LEU 21 HD22 LEU 21 53.081 16.404 6.870
154 HD23 LEU 21 HD23 LEU 21 53.085 15.168 5.589
155 H THR 22 HN THR 22 47.242 16.763 8.384
156 HA THR 22 HA THR 22 47.055 18.424 9.993
157 HB THR 22 HB THR 22 48.478 18.235 11.937
158 HG1 THR 22 HG1 THR 22 50.487 18.244 10.982
159 HG21 THR 22 HG21 THR 22 46.934 16.310 11.386
160 HG22 THR 22 HG22 THR 22 48.324 15.860 12.402
161 HG23 THR 22 HG23 THR 22 48.327 15.472 10.664
162 H HIS 23 HN HIS 23 47.712 19.630 7.788
163 HA HIS 23 HA HIS 23 49.444 21.826 8.685
164 HB2 HIS 23 HB2 HIS 23 50.269 20.022 6.376
165 HB3 HIS 23 HB1 HIS 23 50.898 21.671 6.602
166 HD1 HIS 23 HD1 HIS 23 51.703 18.261 7.387
167 HD2 HIS 23 HD2 HIS 23 52.057 21.926 9.416
168 HE1 HIS 23 HE1 HIS 23 53.374 17.920 9.290
169 H TYR 24 HN TYR 24 48.733 23.697 7.871
170 HA TYR 24 HA TYR 24 46.401 23.662 6.131
171 HB2 TYR 24 HB2 TYR 24 48.111 26.054 6.904
172 HB3 TYR 24 HB1 TYR 24 46.404 26.052 6.400
173 HD1 TYR 24 HD1 TYR 24 44.633 25.331 7.921
174 HD2 TYR 24 HD2 TYR 24 48.775 25.205 9.126
175 HE1 TYR 24 HE1 TYR 24 43.934 24.995 10.288
176 HE2 TYR 24 HE2 TYR 24 48.076 24.867 11.493
177 HH TYR 24 HH TYR 24 46.366 24.798 12.911
178 H LEU 25 HN LEU 25 46.666 23.049 4.065
179 HA LEU 25 HA LEU 25 47.525 22.995 1.904
180 HB2 LEU 25 HB2 LEU 25 47.851 25.905 2.707
181 HB3 LEU 25 HB1 LEU 25 48.307 25.342 1.083
182 HG LEU 25 HG LEU 25 46.042 24.528 0.671
183 HD11 LEU 25 HD11 LEU 25 45.308 23.721 2.791
184 HD12 LEU 25 HD12 LEU 25 44.259 25.118 2.460
185 HD13 LEU 25 HD13 LEU 25 45.624 25.279 3.592
186 HD21 LEU 25 HD21 LEU 25 46.032 27.324 1.900
187 HD22 LEU 25 HD22 LEU 25 44.824 26.691 0.755
188 HD23 LEU 25 HD23 LEU 25 46.511 26.921 0.234
Start of MODEL 25
1 H1 GLY 1 HT1 GLY 1 58.571 4.713 -9.211
2 H2 GLY 1 HT2 GLY 1 57.427 3.631 -8.572
3 H3 GLY 1 HT3 GLY 1 57.545 5.211 -7.959
4 HA2 GLY 1 HA1 GLY 1 57.168 5.524 -10.636
5 HA3 GLY 1 HA2 GLY 1 56.069 4.219 -10.145
6 H TRP 2 HN TRP 2 54.854 6.386 -11.046
7 HA TRP 2 HA TRP 2 54.386 8.413 -9.030
8 HB2 TRP 2 HB2 TRP 2 52.458 7.675 -11.255
9 HB3 TRP 2 HB1 TRP 2 52.748 9.268 -10.517
10 HD1 TRP 2 HD1 TRP 2 55.940 9.205 -10.627
11 HE1 TRP 2 HE1 TRP 2 57.163 9.504 -12.899
12 HE3 TRP 2 HE3 TRP 2 52.128 7.876 -13.778
13 HZ2 TRP 2 HZ2 TRP 2 56.543 9.200 -15.694
14 HZ3 TRP 2 HZ3 TRP 2 52.467 7.889 -16.244
15 HH2 TRP 2 HH2 TRP 2 54.670 8.549 -17.205
16 H GLY 3 HN GLY 3 52.240 8.841 -8.048
17 HA2 GLY 3 HA1 GLY 3 50.370 8.175 -6.840
18 HA3 GLY 3 HA2 GLY 3 50.406 6.616 -7.685
19 H SER 4 HN SER 4 53.358 6.418 -6.813
20 HA SER 4 HA SER 4 54.462 5.290 -5.115
21 HB2 SER 4 HB2 SER 4 54.089 7.523 -4.015
22 HB3 SER 4 HB1 SER 4 52.618 6.857 -3.272
23 HG SER 4 HG SER 4 53.963 5.235 -2.335
24 H PHE 5 HN PHE 5 53.159 3.419 -6.063
25 HA PHE 5 HA PHE 5 50.906 2.437 -4.505
26 HB2 PHE 5 HB2 PHE 5 51.315 1.856 -6.902
27 HB3 PHE 5 HB1 PHE 5 52.747 0.926 -6.401
28 HD1 PHE 5 HD1 PHE 5 52.526 -1.283 -5.487
29 HD2 PHE 5 HD2 PHE 5 49.033 1.206 -5.989
30 HE1 PHE 5 HE1 PHE 5 51.063 -3.229 -4.960
31 HE2 PHE 5 HE2 PHE 5 47.572 -0.741 -5.461
32 HZ PHE 5 HZ PHE 5 48.586 -2.960 -4.952
33 H PHE 6 HN PHE 6 54.121 0.925 -5.036
34 HA PHE 6 HA PHE 6 55.413 -0.371 -3.614
35 HB2 PHE 6 HB2 PHE 6 55.488 1.873 -2.430
36 HB3 PHE 6 HB1 PHE 6 54.185 1.279 -1.373
37 HD1 PHE 6 HD1 PHE 6 57.649 0.482 -2.592
38 HD2 PHE 6 HD2 PHE 6 54.691 -0.117 0.495
39 HE1 PHE 6 HE1 PHE 6 59.340 -0.707 -1.201
40 HE2 PHE 6 HE2 PHE 6 56.383 -1.305 1.885
41 HZ PHE 6 HZ PHE 6 58.719 -1.560 1.056
42 H LYS 7 HN LYS 7 55.346 -1.792 -1.557
43 HA LYS 7 HA LYS 7 53.136 -3.611 -1.870
44 HB2 LYS 7 HB2 LYS 7 55.369 -4.345 -1.143
45 HB3 LYS 7 HB1 LYS 7 55.208 -3.389 0.349
46 HG2 LYS 7 HG2 LYS 7 53.399 -4.757 1.144
47 HG3 LYS 7 HG1 LYS 7 53.218 -5.556 -0.436
48 HD2 LYS 7 HD2 LYS 7 54.408 -7.028 1.153
49 HD3 LYS 7 HD1 LYS 7 55.474 -6.558 -0.190
50 HE2 LYS 7 HE2 LYS 7 56.699 -5.035 1.156
51 HE3 LYS 7 HE1 LYS 7 55.427 -4.969 2.402
52 HZ1 LYS 7 HZ1 LYS 7 57.087 -7.354 1.751
53 HZ2 LYS 7 HZ2 LYS 7 55.895 -7.266 2.958
54 HZ3 LYS 7 HZ3 LYS 7 57.310 -6.335 3.088
55 H LYS 8 HN LYS 8 51.190 -3.675 -0.951
56 HA LYS 8 HA LYS 8 49.409 -3.085 0.407
57 HB2 LYS 8 HB2 LYS 8 51.002 -4.103 2.119
58 HB3 LYS 8 HB1 LYS 8 51.492 -2.442 2.529
59 HG2 LYS 8 HG2 LYS 8 49.208 -1.864 3.158
60 HG3 LYS 8 HG1 LYS 8 48.612 -3.445 2.599
61 HD2 LYS 8 HD2 LYS 8 49.948 -4.591 4.309
62 HD3 LYS 8 HD1 LYS 8 50.646 -3.039 4.834
63 HE2 LYS 8 HE2 LYS 8 48.499 -2.240 5.599
64 HE3 LYS 8 HE1 LYS 8 47.658 -3.620 4.854
65 HZ1 LYS 8 HZ1 LYS 8 48.256 -3.634 7.381
66 HZ2 LYS 8 HZ2 LYS 8 49.781 -4.136 6.825
67 HZ3 LYS 8 HZ3 LYS 8 48.397 -5.051 6.460
68 H ALA 9 HN ALA 9 48.246 -1.306 1.357
69 HA ALA 9 HA ALA 9 47.631 0.926 1.400
70 HB1 ALA 9 HB1 ALA 9 49.202 2.504 2.252
71 HB2 ALA 9 HB2 ALA 9 50.586 1.557 1.657
72 HB3 ALA 9 HB3 ALA 9 49.602 0.944 3.007
73 H ALA 10 HN ALA 10 47.968 3.116 0.315
74 HA ALA 10 HA ALA 10 49.485 3.123 -2.180
75 HB1 ALA 10 HB1 ALA 10 47.659 1.710 -2.927
76 HB2 ALA 10 HB2 ALA 10 47.480 3.325 -3.653
77 HB3 ALA 10 HB3 ALA 10 46.461 2.851 -2.272
78 H HIS 11 HN HIS 11 46.445 4.502 -0.823
79 HA HIS 11 HA HIS 11 47.201 7.187 -1.723
80 HB2 HIS 11 HB2 HIS 11 45.125 7.873 -0.539
81 HB3 HIS 11 HB1 HIS 11 44.846 6.520 -1.662
82 HD1 HIS 11 HD1 HIS 11 44.962 4.030 -0.481
83 HD2 HIS 11 HD2 HIS 11 44.371 7.320 2.071
84 HE1 HIS 11 HE1 HIS 11 44.013 3.130 1.715
85 H ALA 12 HN ALA 12 46.560 5.758 1.523
86 HA ALA 12 HA ALA 12 47.369 6.375 3.606
87 HB1 ALA 12 HB1 ALA 12 49.756 6.856 3.754
88 HB2 ALA 12 HB2 ALA 12 49.815 7.215 2.011
89 HB3 ALA 12 HB3 ALA 12 49.471 5.560 2.569
90 H GLY 13 HN GLY 13 48.244 8.216 4.962
91 HA2 GLY 13 HA1 GLY 13 46.775 10.617 4.236
92 HA3 GLY 13 HA2 GLY 13 47.768 10.372 5.687
93 H LYS 14 HN LYS 14 47.667 11.494 2.373
94 HA LYS 14 HA LYS 14 49.873 13.300 2.828
95 HB2 LYS 14 HB2 LYS 14 51.208 11.238 2.597
96 HB3 LYS 14 HB1 LYS 14 50.435 10.907 1.028
97 HG2 LYS 14 HG2 LYS 14 51.392 12.892 0.042
98 HG3 LYS 14 HG1 LYS 14 51.958 13.475 1.628
99 HD2 LYS 14 HD2 LYS 14 53.506 11.579 1.811
100 HD3 LYS 14 HD1 LYS 14 52.897 10.906 0.278
101 HE2 LYS 14 HE2 LYS 14 53.629 13.007 -0.883
102 HE3 LYS 14 HE1 LYS 14 54.340 13.566 0.649
103 HZ1 LYS 14 HZ1 LYS 14 56.106 12.546 -0.408
104 HZ2 LYS 14 HZ2 LYS 14 55.154 11.301 -1.064
105 HZ3 LYS 14 HZ3 LYS 14 55.536 11.300 0.591
106 H HIS 15 HN HIS 15 49.149 11.463 -0.147
107 HA HIS 15 HA HIS 15 48.638 13.940 -1.598
108 HB2 HIS 15 HB2 HIS 15 49.670 11.887 -2.611
109 HB3 HIS 15 HB1 HIS 15 48.097 11.070 -2.453
110 HD1 HIS 15 HD1 HIS 15 47.972 14.716 -3.226
111 HD2 HIS 15 HD2 HIS 15 47.903 11.087 -5.353
112 HE1 HIS 15 HE1 HIS 15 47.228 15.245 -5.613
113 H ALA 16 HN ALA 16 46.737 11.644 0.195
114 HA ALA 16 HA ALA 16 44.218 11.889 -1.048
115 HB1 ALA 16 HB1 ALA 16 43.273 11.312 1.121
116 HB2 ALA 16 HB2 ALA 16 44.786 11.778 1.934
117 HB3 ALA 16 HB3 ALA 16 44.757 10.370 0.845
118 H GLY 17 HN GLY 17 45.411 13.804 1.758
119 HA2 GLY 17 HA1 GLY 17 43.278 15.791 1.339
120 HA3 GLY 17 HA2 GLY 17 44.518 15.796 2.609
121 H LYS 18 HN LYS 18 45.520 15.328 -0.688
122 HA LYS 18 HA LYS 18 46.841 16.651 -2.059
123 HB2 LYS 18 HB2 LYS 18 45.277 18.982 -0.886
124 HB3 LYS 18 HB1 LYS 18 46.104 18.915 -2.461
125 HG2 LYS 18 HG2 LYS 18 44.578 16.995 -3.092
126 HG3 LYS 18 HG1 LYS 18 43.674 17.298 -1.589
127 HD2 LYS 18 HD2 LYS 18 43.190 19.599 -2.310
128 HD3 LYS 18 HD1 LYS 18 44.153 19.358 -3.787
129 HE2 LYS 18 HE2 LYS 18 41.709 17.696 -3.041
130 HE3 LYS 18 HE1 LYS 18 41.677 19.084 -4.155
131 HZ1 LYS 18 HZ1 LYS 18 42.728 16.404 -4.552
132 HZ2 LYS 18 HZ2 LYS 18 43.705 17.657 -5.153
133 HZ3 LYS 18 HZ3 LYS 18 42.097 17.503 -5.679
134 H ALA 19 HN ALA 19 47.216 16.492 1.119
135 HA ALA 19 HA ALA 19 49.801 17.851 1.047
136 HB1 ALA 19 HB1 ALA 19 47.581 18.965 2.796
137 HB2 ALA 19 HB2 ALA 19 48.419 19.803 1.469
138 HB3 ALA 19 HB3 ALA 19 49.304 19.378 2.953
139 H ALA 20 HN ALA 20 47.598 17.398 3.817
140 HA ALA 20 HA ALA 20 48.671 14.800 4.524
141 HB1 ALA 20 HB1 ALA 20 49.646 17.153 6.178
142 HB2 ALA 20 HB2 ALA 20 50.646 16.245 5.018
143 HB3 ALA 20 HB3 ALA 20 49.990 15.430 6.458
144 H LEU 21 HN LEU 21 46.100 15.785 4.214
145 HA LEU 21 HA LEU 21 44.062 15.831 5.309
146 HB2 LEU 21 HB2 LEU 21 45.489 14.714 7.746
147 HB3 LEU 21 HB1 LEU 21 43.792 14.495 7.267
148 HG LEU 21 HG LEU 21 46.223 13.441 5.750
149 HD11 LEU 21 HD11 LEU 21 45.709 12.291 7.921
150 HD12 LEU 21 HD12 LEU 21 45.467 11.241 6.505
151 HD13 LEU 21 HD13 LEU 21 44.064 11.969 7.323
152 HD21 LEU 21 HD21 LEU 21 44.526 13.857 4.123
153 HD22 LEU 21 HD22 LEU 21 43.223 13.355 5.226
154 HD23 LEU 21 HD23 LEU 21 44.327 12.141 4.537
155 H THR 22 HN THR 22 46.116 16.330 8.207
156 HA THR 22 HA THR 22 44.538 18.743 8.860
157 HB THR 22 HB THR 22 45.674 18.707 10.975
158 HG1 THR 22 HG1 THR 22 47.621 17.926 11.183
159 HG21 THR 22 HG21 THR 22 44.002 16.881 10.556
160 HG22 THR 22 HG22 THR 22 45.243 16.433 11.751
161 HG23 THR 22 HG23 THR 22 45.345 15.812 10.086
162 H HIS 23 HN HIS 23 46.495 18.573 6.507
163 HA HIS 23 HA HIS 23 48.133 19.918 5.551
164 HB2 HIS 23 HB2 HIS 23 46.875 21.927 7.461
165 HB3 HIS 23 HB1 HIS 23 47.976 22.347 6.126
166 HD1 HIS 23 HD1 HIS 23 45.346 23.615 5.767
167 HD2 HIS 23 HD2 HIS 23 45.947 19.604 4.658
168 HE1 HIS 23 HE1 HIS 23 43.558 23.027 4.040
169 H TYR 24 HN TYR 24 49.137 18.268 7.544
170 HA TYR 24 HA TYR 24 50.662 19.692 9.527
171 HB2 TYR 24 HB2 TYR 24 50.115 17.233 9.562
172 HB3 TYR 24 HB1 TYR 24 51.310 17.003 8.263
173 HD1 TYR 24 HD1 TYR 24 53.715 17.365 8.674
174 HD2 TYR 24 HD2 TYR 24 50.811 17.810 11.834
175 HE1 TYR 24 HE1 TYR 24 55.547 17.315 10.363
176 HE2 TYR 24 HE2 TYR 24 52.640 17.761 13.524
177 HH TYR 24 HH TYR 24 55.914 16.883 12.637
178 H LEU 25 HN LEU 25 52.065 21.248 8.997
179 HA LEU 25 HA LEU 25 53.573 21.184 6.500
180 HB2 LEU 25 HB2 LEU 25 54.152 22.912 8.932
181 HB3 LEU 25 HB1 LEU 25 54.512 23.258 7.225
182 HG LEU 25 HG LEU 25 51.723 23.018 8.446
183 HD11 LEU 25 HD11 LEU 25 51.615 25.457 7.969
184 HD12 LEU 25 HD12 LEU 25 53.310 25.417 7.422
185 HD13 LEU 25 HD13 LEU 25 52.913 25.071 9.123
186 HD21 LEU 25 HD21 LEU 25 51.124 24.036 6.128
187 HD22 LEU 25 HD22 LEU 25 51.538 22.309 6.173
188 HD23 LEU 25 HD23 LEU 25 52.740 23.498 5.613
Start of MODEL 26
1 H1 GLY 1 HT1 GLY 1 60.360 -0.273 -14.322
2 H2 GLY 1 HT2 GLY 1 61.802 -0.118 -15.206
3 H3 GLY 1 HT3 GLY 1 61.051 1.258 -14.548
4 HA2 GLY 1 HA1 GLY 1 63.084 0.068 -13.429
5 HA3 GLY 1 HA2 GLY 1 61.825 0.926 -12.519
6 H TRP 2 HN TRP 2 61.317 -2.121 -14.239
7 HA TRP 2 HA TRP 2 60.640 -4.186 -13.439
8 HB2 TRP 2 HB2 TRP 2 63.033 -4.129 -12.635
9 HB3 TRP 2 HB1 TRP 2 62.433 -3.550 -11.063
10 HD1 TRP 2 HD1 TRP 2 61.397 -6.433 -13.465
11 HE1 TRP 2 HE1 TRP 2 61.037 -8.596 -12.067
12 HE3 TRP 2 HE3 TRP 2 62.499 -4.583 -8.820
13 HZ2 TRP 2 HZ2 TRP 2 61.215 -9.384 -9.302
14 HZ3 TRP 2 HZ3 TRP 2 62.399 -6.058 -6.817
15 HH2 TRP 2 HH2 TRP 2 61.759 -8.454 -7.053
16 H GLY 3 HN GLY 3 60.906 -4.271 -10.189
17 HA2 GLY 3 HA1 GLY 3 58.043 -4.041 -9.807
18 HA3 GLY 3 HA2 GLY 3 59.260 -4.350 -8.553
19 H SER 4 HN SER 4 57.935 -1.760 -10.640
20 HA SER 4 HA SER 4 59.012 0.391 -9.057
21 HB2 SER 4 HB2 SER 4 57.370 1.790 -10.279
22 HB3 SER 4 HB1 SER 4 58.261 0.709 -11.373
23 HG SER 4 HG SER 4 55.607 0.843 -10.849
24 H PHE 5 HN PHE 5 58.122 1.652 -7.450
25 HA PHE 5 HA PHE 5 56.325 0.308 -5.641
26 HB2 PHE 5 HB2 PHE 5 57.057 3.260 -5.700
27 HB3 PHE 5 HB1 PHE 5 56.470 2.323 -4.305
28 HD1 PHE 5 HD1 PHE 5 57.891 0.508 -3.319
29 HD2 PHE 5 HD2 PHE 5 59.368 3.145 -6.401
30 HE1 PHE 5 HE1 PHE 5 60.227 -0.168 -2.779
31 HE2 PHE 5 HE2 PHE 5 61.704 2.468 -5.860
32 HZ PHE 5 HZ PHE 5 62.136 0.840 -4.024
33 H PHE 6 HN PHE 6 54.186 0.643 -5.151
34 HA PHE 6 HA PHE 6 52.415 1.266 -7.257
35 HB2 PHE 6 HB2 PHE 6 51.821 1.581 -4.291
36 HB3 PHE 6 HB1 PHE 6 50.662 1.229 -5.596
37 HD1 PHE 6 HD1 PHE 6 53.485 -0.126 -3.585
38 HD2 PHE 6 HD2 PHE 6 50.479 -0.997 -6.557
39 HE1 PHE 6 HE1 PHE 6 53.930 -2.563 -3.321
40 HE2 PHE 6 HE2 PHE 6 50.924 -3.434 -6.293
41 HZ PHE 6 HZ PHE 6 52.720 -4.208 -4.748
42 H LYS 7 HN LYS 7 54.011 3.355 -4.927
43 HA LYS 7 HA LYS 7 54.114 5.659 -4.790
44 HB2 LYS 7 HB2 LYS 7 54.302 5.327 -7.367
45 HB3 LYS 7 HB1 LYS 7 52.610 5.868 -7.423
46 HG2 LYS 7 HG2 LYS 7 53.207 7.977 -6.320
47 HG3 LYS 7 HG1 LYS 7 54.892 7.433 -6.132
48 HD2 LYS 7 HD2 LYS 7 55.203 7.368 -8.544
49 HD3 LYS 7 HD1 LYS 7 53.479 7.719 -8.818
50 HE2 LYS 7 HE2 LYS 7 53.794 9.903 -7.597
51 HE3 LYS 7 HE1 LYS 7 55.539 9.558 -7.524
52 HZ1 LYS 7 HZ1 LYS 7 53.866 9.925 -9.956
53 HZ2 LYS 7 HZ2 LYS 7 55.457 9.331 -9.996
54 HZ3 LYS 7 HZ3 LYS 7 55.147 10.900 -9.425
55 H LYS 8 HN LYS 8 51.316 3.890 -4.755
56 HA LYS 8 HA LYS 8 49.918 5.782 -3.124
57 HB2 LYS 8 HB2 LYS 8 47.943 6.123 -4.726
58 HB3 LYS 8 HB1 LYS 8 49.412 7.065 -5.072
59 HG2 LYS 8 HG2 LYS 8 50.096 5.476 -6.789
60 HG3 LYS 8 HG1 LYS 8 48.741 4.395 -6.380
61 HD2 LYS 8 HD2 LYS 8 47.119 6.070 -7.095
62 HD3 LYS 8 HD1 LYS 8 48.414 7.262 -7.363
63 HE2 LYS 8 HE2 LYS 8 49.408 5.753 -9.090
64 HE3 LYS 8 HE1 LYS 8 48.047 4.629 -8.859
65 HZ1 LYS 8 HZ1 LYS 8 46.708 5.919 -10.062
66 HZ2 LYS 8 HZ2 LYS 8 48.106 6.726 -10.593
67 HZ3 LYS 8 HZ3 LYS 8 47.208 7.344 -9.289
68 H ALA 9 HN ALA 9 48.360 4.763 -1.961
69 HA ALA 9 HA ALA 9 46.883 2.490 -2.959
70 HB1 ALA 9 HB1 ALA 9 49.199 1.923 -1.079
71 HB2 ALA 9 HB2 ALA 9 49.007 1.327 -2.746
72 HB3 ALA 9 HB3 ALA 9 47.897 0.774 -1.468
73 H ALA 10 HN ALA 10 47.999 4.593 -0.407
74 HA ALA 10 HA ALA 10 45.360 4.602 0.807
75 HB1 ALA 10 HB1 ALA 10 45.875 3.636 2.937
76 HB2 ALA 10 HB2 ALA 10 47.595 3.459 2.510
77 HB3 ALA 10 HB3 ALA 10 46.367 2.457 1.698
78 H HIS 11 HN HIS 11 45.105 6.680 1.250
79 HA HIS 11 HA HIS 11 46.977 8.068 2.993
80 HB2 HIS 11 HB2 HIS 11 47.585 9.860 1.377
81 HB3 HIS 11 HB1 HIS 11 48.263 8.279 0.921
82 HD1 HIS 11 HD1 HIS 11 45.979 6.895 -0.481
83 HD2 HIS 11 HD2 HIS 11 46.765 10.995 -1.001
84 HE1 HIS 11 HE1 HIS 11 44.952 7.591 -2.715
85 H ALA 12 HN ALA 12 44.002 7.483 1.703
86 HA ALA 12 HA ALA 12 42.737 10.011 1.539
87 HB1 ALA 12 HB1 ALA 12 41.660 7.889 0.909
88 HB2 ALA 12 HB2 ALA 12 40.663 8.796 2.073
89 HB3 ALA 12 HB3 ALA 12 41.620 7.398 2.619
90 H GLY 13 HN GLY 13 44.326 8.615 4.163
91 HA2 GLY 13 HA1 GLY 13 43.643 10.774 5.922
92 HA3 GLY 13 HA2 GLY 13 42.737 9.320 6.384
93 H LYS 14 HN LYS 14 46.040 10.459 5.595
94 HA LYS 14 HA LYS 14 47.108 9.230 8.003
95 HB2 LYS 14 HB2 LYS 14 46.819 7.204 6.579
96 HB3 LYS 14 HB1 LYS 14 47.861 7.951 5.344
97 HG2 LYS 14 HG2 LYS 14 49.740 8.025 6.900
98 HG3 LYS 14 HG1 LYS 14 48.709 7.441 8.230
99 HD2 LYS 14 HD2 LYS 14 48.299 5.335 6.944
100 HD3 LYS 14 HD1 LYS 14 49.417 5.914 5.686
101 HE2 LYS 14 HE2 LYS 14 50.168 5.550 8.618
102 HE3 LYS 14 HE1 LYS 14 50.508 4.362 7.337
103 HZ1 LYS 14 HZ1 LYS 14 51.982 5.793 6.296
104 HZ2 LYS 14 HZ2 LYS 14 52.301 6.081 7.940
105 HZ3 LYS 14 HZ3 LYS 14 51.360 7.179 7.049
106 H HIS 15 HN HIS 15 47.745 11.472 8.144
107 HA HIS 15 HA HIS 15 49.246 13.222 7.848
108 HB2 HIS 15 HB2 HIS 15 50.767 11.402 8.648
109 HB3 HIS 15 HB1 HIS 15 51.114 10.992 6.952
110 HD1 HIS 15 HD1 HIS 15 52.705 12.498 5.636
111 HD2 HIS 15 HD2 HIS 15 51.843 13.933 9.493
112 HE1 HIS 15 HE1 HIS 15 54.266 14.471 6.082
113 H ALA 16 HN ALA 16 47.566 12.342 5.520
114 HA ALA 16 HA ALA 16 48.748 14.121 3.573
115 HB1 ALA 16 HB1 ALA 16 50.223 12.234 3.130
116 HB2 ALA 16 HB2 ALA 16 49.092 12.446 1.771
117 HB3 ALA 16 HB3 ALA 16 48.825 11.147 2.959
118 H GLY 17 HN GLY 17 46.227 13.139 5.091
119 HA2 GLY 17 HA1 GLY 17 44.378 12.441 2.930
120 HA3 GLY 17 HA2 GLY 17 43.966 12.801 4.619
121 H LYS 18 HN LYS 18 45.891 14.922 2.545
122 HA LYS 18 HA LYS 18 45.519 17.147 1.979
123 HB2 LYS 18 HB2 LYS 18 42.796 15.949 1.337
124 HB3 LYS 18 HB1 LYS 18 43.326 17.573 0.833
125 HG2 LYS 18 HG2 LYS 18 45.103 16.683 -0.512
126 HG3 LYS 18 HG1 LYS 18 44.920 15.059 0.193
127 HD2 LYS 18 HD2 LYS 18 43.913 15.231 -2.093
128 HD3 LYS 18 HD1 LYS 18 42.716 14.809 -0.846
129 HE2 LYS 18 HE2 LYS 18 43.173 17.712 -1.615
130 HE3 LYS 18 HE1 LYS 18 42.104 16.671 -2.585
131 HZ1 LYS 18 HZ1 LYS 18 40.534 17.062 -1.092
132 HZ2 LYS 18 HZ2 LYS 18 41.608 17.892 -0.072
133 HZ3 LYS 18 HZ3 LYS 18 41.439 16.207 0.059
134 H ALA 19 HN ALA 19 44.695 16.082 4.763
135 HA ALA 19 HA ALA 19 43.728 18.654 5.735
136 HB1 ALA 19 HB1 ALA 19 41.656 17.736 6.782
137 HB2 ALA 19 HB2 ALA 19 41.887 16.240 5.846
138 HB3 ALA 19 HB3 ALA 19 41.584 17.779 5.004
139 H ALA 20 HN ALA 20 44.540 15.258 6.201
140 HA ALA 20 HA ALA 20 44.637 15.243 9.056
141 HB1 ALA 20 HB1 ALA 20 44.735 13.187 7.785
142 HB2 ALA 20 HB2 ALA 20 46.232 13.340 8.736
143 HB3 ALA 20 HB3 ALA 20 46.244 13.699 6.993
144 H LEU 21 HN LEU 21 47.179 15.907 6.615
145 HA LEU 21 HA LEU 21 49.137 16.591 8.680
146 HB2 LEU 21 HB2 LEU 21 50.368 17.536 6.541
147 HB3 LEU 21 HB1 LEU 21 50.171 15.783 6.740
148 HG LEU 21 HG LEU 21 48.263 15.757 5.231
149 HD11 LEU 21 HD11 LEU 21 48.557 18.787 5.332
150 HD12 LEU 21 HD12 LEU 21 47.122 17.812 5.731
151 HD13 LEU 21 HD13 LEU 21 47.655 17.959 4.042
152 HD21 LEU 21 HD21 LEU 21 50.481 17.512 4.091
153 HD22 LEU 21 HD22 LEU 21 49.365 16.484 3.159
154 HD23 LEU 21 HD23 LEU 21 50.558 15.741 4.252
155 H THR 22 HN THR 22 46.429 18.052 8.313
156 HA THR 22 HA THR 22 45.659 20.231 8.512
157 HB THR 22 HB THR 22 46.927 21.727 9.907
158 HG1 THR 22 HG1 THR 22 49.211 21.022 10.308
159 HG21 THR 22 HG21 THR 22 47.453 20.313 11.780
160 HG22 THR 22 HG22 THR 22 47.807 18.930 10.717
161 HG23 THR 22 HG23 THR 22 46.134 19.512 10.895
162 H HIS 23 HN HIS 23 45.360 20.694 6.331
163 HA HIS 23 HA HIS 23 47.562 21.702 4.695
164 HB2 HIS 23 HB2 HIS 23 45.784 22.161 3.041
165 HB3 HIS 23 HB1 HIS 23 45.645 20.512 3.699
166 HD1 HIS 23 HD1 HIS 23 44.558 22.336 6.462
167 HD2 HIS 23 HD2 HIS 23 42.809 21.549 2.721
168 HE1 HIS 23 HE1 HIS 23 42.045 22.729 6.699
169 H TYR 24 HN TYR 24 47.281 23.117 7.177
170 HA TYR 24 HA TYR 24 45.829 25.536 6.989
171 HB2 TYR 24 HB2 TYR 24 47.114 24.630 8.993
172 HB3 TYR 24 HB1 TYR 24 48.593 25.252 8.224
173 HD1 TYR 24 HD1 TYR 24 48.992 27.660 8.003
174 HD2 TYR 24 HD2 TYR 24 45.375 26.162 9.819
175 HE1 TYR 24 HE1 TYR 24 48.498 29.934 8.895
176 HE2 TYR 24 HE2 TYR 24 44.881 28.436 10.712
177 HH TYR 24 HH TYR 24 45.684 30.489 11.033
178 H LEU 25 HN LEU 25 48.276 24.417 4.962
179 HA LEU 25 HA LEU 25 49.691 26.866 4.418
180 HB2 LEU 25 HB2 LEU 25 49.175 24.638 2.419
181 HB3 LEU 25 HB1 LEU 25 50.574 25.735 2.515
182 HG LEU 25 HG LEU 25 49.824 23.569 4.530
183 HD11 LEU 25 HD11 LEU 25 52.244 23.862 2.695
184 HD12 LEU 25 HD12 LEU 25 50.846 22.811 2.363
185 HD13 LEU 25 HD13 LEU 25 51.884 22.492 3.773
186 HD21 LEU 25 HD21 LEU 25 50.793 25.334 5.816
187 HD22 LEU 25 HD22 LEU 25 51.960 25.742 4.535
188 HD23 LEU 25 HD23 LEU 25 52.152 24.240 5.471
Start of MODEL 27
1 H1 GLY 1 HT1 GLY 1 61.131 -2.608 -13.788
2 H2 GLY 1 HT2 GLY 1 61.266 -2.007 -15.373
3 H3 GLY 1 HT3 GLY 1 62.389 -1.544 -14.184
4 HA2 GLY 1 HA1 GLY 1 63.016 -3.303 -15.902
5 HA3 GLY 1 HA2 GLY 1 63.479 -3.498 -14.200
6 H TRP 2 HN TRP 2 61.135 -4.268 -13.009
7 HA TRP 2 HA TRP 2 59.844 -6.413 -14.502
8 HB2 TRP 2 HB2 TRP 2 62.075 -7.443 -14.050
9 HB3 TRP 2 HB1 TRP 2 61.799 -7.208 -12.307
10 HD1 TRP 2 HD1 TRP 2 60.483 -9.026 -11.090
11 HE1 TRP 2 HE1 TRP 2 59.109 -11.127 -11.773
12 HE3 TRP 2 HE3 TRP 2 60.443 -8.351 -16.165
13 HZ2 TRP 2 HZ2 TRP 2 58.141 -12.324 -14.207
14 HZ3 TRP 2 HZ3 TRP 2 59.287 -9.984 -17.647
15 HH2 TRP 2 HH2 TRP 2 58.138 -11.968 -16.675
16 H GLY 3 HN GLY 3 60.884 -5.928 -11.092
17 HA2 GLY 3 HA1 GLY 3 58.476 -6.698 -9.895
18 HA3 GLY 3 HA2 GLY 3 59.619 -5.537 -9.195
19 H SER 4 HN SER 4 59.501 -3.339 -10.659
20 HA SER 4 HA SER 4 58.225 -1.408 -10.857
21 HB2 SER 4 HB2 SER 4 57.519 -2.663 -12.903
22 HB3 SER 4 HB1 SER 4 56.153 -3.333 -11.982
23 HG SER 4 HG SER 4 55.390 -1.518 -12.963
24 H PHE 5 HN PHE 5 58.141 -1.406 -8.455
25 HA PHE 5 HA PHE 5 55.939 -2.432 -6.986
26 HB2 PHE 5 HB2 PHE 5 57.530 0.115 -6.483
27 HB3 PHE 5 HB1 PHE 5 56.534 -0.752 -5.289
28 HD1 PHE 5 HD1 PHE 5 59.660 -0.812 -7.266
29 HD2 PHE 5 HD2 PHE 5 57.227 -2.942 -4.408
30 HE1 PHE 5 HE1 PHE 5 61.575 -2.325 -6.764
31 HE2 PHE 5 HE2 PHE 5 59.142 -4.454 -3.904
32 HZ PHE 5 HZ PHE 5 61.317 -4.142 -5.079
33 H PHE 6 HN PHE 6 53.850 -2.055 -7.188
34 HA PHE 6 HA PHE 6 52.689 -0.097 -8.837
35 HB2 PHE 6 HB2 PHE 6 51.483 -1.300 -6.315
36 HB3 PHE 6 HB1 PHE 6 50.594 -0.585 -7.683
37 HD1 PHE 6 HD1 PHE 6 52.568 -3.482 -6.512
38 HD2 PHE 6 HD2 PHE 6 50.497 -1.725 -9.867
39 HE1 PHE 6 HE1 PHE 6 52.632 -5.673 -7.700
40 HE2 PHE 6 HE2 PHE 6 50.562 -3.914 -11.054
41 HZ PHE 6 HZ PHE 6 51.677 -5.875 -9.992
42 H LYS 7 HN LYS 7 51.937 1.953 -8.606
43 HA LYS 7 HA LYS 7 53.215 3.631 -6.655
44 HB2 LYS 7 HB2 LYS 7 50.830 4.121 -8.480
45 HB3 LYS 7 HB1 LYS 7 51.663 5.388 -7.547
46 HG2 LYS 7 HG2 LYS 7 53.822 4.674 -8.688
47 HG3 LYS 7 HG1 LYS 7 52.840 3.635 -9.746
48 HD2 LYS 7 HD2 LYS 7 52.592 6.663 -9.443
49 HD3 LYS 7 HD1 LYS 7 53.263 5.797 -10.844
50 HE2 LYS 7 HE2 LYS 7 50.384 5.947 -9.900
51 HE3 LYS 7 HE1 LYS 7 51.047 6.256 -11.521
52 HZ1 LYS 7 HZ1 LYS 7 50.391 3.717 -10.227
53 HZ2 LYS 7 HZ2 LYS 7 51.763 3.734 -11.230
54 HZ3 LYS 7 HZ3 LYS 7 50.247 4.180 -11.852
55 H LYS 8 HN LYS 8 50.457 1.611 -6.483
56 HA LYS 8 HA LYS 8 48.779 3.088 -4.723
57 HB2 LYS 8 HB2 LYS 8 48.282 0.871 -5.894
58 HB3 LYS 8 HB1 LYS 8 49.242 0.086 -4.624
59 HG2 LYS 8 HG2 LYS 8 47.081 -0.070 -3.715
60 HG3 LYS 8 HG1 LYS 8 47.661 1.433 -2.967
61 HD2 LYS 8 HD2 LYS 8 46.465 2.778 -4.625
62 HD3 LYS 8 HD1 LYS 8 46.008 1.318 -5.535
63 HE2 LYS 8 HE2 LYS 8 44.209 2.264 -3.984
64 HE3 LYS 8 HE1 LYS 8 44.594 0.541 -3.761
65 HZ1 LYS 8 HZ1 LYS 8 44.496 2.154 -1.729
66 HZ2 LYS 8 HZ2 LYS 8 46.078 2.547 -2.204
67 HZ3 LYS 8 HZ3 LYS 8 45.681 0.945 -1.805
68 H ALA 9 HN ALA 9 49.099 3.844 -2.744
69 HA ALA 9 HA ALA 9 50.447 2.242 -0.714
70 HB1 ALA 9 HB1 ALA 9 52.263 3.884 -0.273
71 HB2 ALA 9 HB2 ALA 9 51.821 4.737 -1.772
72 HB3 ALA 9 HB3 ALA 9 52.438 3.069 -1.844
73 H ALA 10 HN ALA 10 50.993 3.966 1.223
74 HA ALA 10 HA ALA 10 48.371 4.912 1.999
75 HB1 ALA 10 HB1 ALA 10 51.103 5.445 3.218
76 HB2 ALA 10 HB2 ALA 10 50.021 4.090 3.622
77 HB3 ALA 10 HB3 ALA 10 49.535 5.761 3.999
78 H HIS 11 HN HIS 11 47.734 7.071 2.517
79 HA HIS 11 HA HIS 11 49.330 9.341 1.684
80 HB2 HIS 11 HB2 HIS 11 47.920 10.052 -0.225
81 HB3 HIS 11 HB1 HIS 11 48.764 8.521 -0.562
82 HD1 HIS 11 HD1 HIS 11 46.900 6.596 1.056
83 HD2 HIS 11 HD2 HIS 11 45.583 9.497 -1.688
84 HE1 HIS 11 HE1 HIS 11 44.565 5.906 0.280
85 H ALA 12 HN ALA 12 46.395 7.824 2.762
86 HA ALA 12 HA ALA 12 44.975 10.333 3.304
87 HB1 ALA 12 HB1 ALA 12 43.326 8.913 4.368
88 HB2 ALA 12 HB2 ALA 12 44.463 7.543 4.392
89 HB3 ALA 12 HB3 ALA 12 43.839 8.156 2.841
90 H GLY 13 HN GLY 13 47.328 10.862 4.367
91 HA2 GLY 13 HA1 GLY 13 46.779 11.421 7.083
92 HA3 GLY 13 HA2 GLY 13 47.753 9.938 7.046
93 H LYS 14 HN LYS 14 47.978 12.561 4.682
94 HA LYS 14 HA LYS 14 50.203 13.896 5.957
95 HB2 LYS 14 HB2 LYS 14 51.351 11.774 5.385
96 HB3 LYS 14 HB1 LYS 14 50.890 11.997 3.680
97 HG2 LYS 14 HG2 LYS 14 52.206 14.012 3.501
98 HG3 LYS 14 HG1 LYS 14 52.485 14.056 5.259
99 HD2 LYS 14 HD2 LYS 14 53.731 11.908 5.104
100 HD3 LYS 14 HD1 LYS 14 53.483 11.902 3.341
101 HE2 LYS 14 HE2 LYS 14 54.735 13.994 3.115
102 HE3 LYS 14 HE1 LYS 14 54.898 14.121 4.883
103 HZ1 LYS 14 HZ1 LYS 14 56.640 12.874 3.180
104 HZ2 LYS 14 HZ2 LYS 14 55.784 11.586 3.883
105 HZ3 LYS 14 HZ3 LYS 14 56.598 12.707 4.867
106 H HIS 15 HN HIS 15 49.775 12.934 2.536
107 HA HIS 15 HA HIS 15 49.873 15.714 1.683
108 HB2 HIS 15 HB2 HIS 15 50.721 13.877 0.271
109 HB3 HIS 15 HB1 HIS 15 49.082 13.191 0.169
110 HD1 HIS 15 HD1 HIS 15 48.303 13.648 -2.168
111 HD2 HIS 15 HD2 HIS 15 50.075 17.019 -0.386
112 HE1 HIS 15 HE1 HIS 15 48.046 15.596 -3.801
113 H ALA 16 HN ALA 16 47.445 13.764 3.009
114 HA ALA 16 HA ALA 16 45.431 15.812 2.553
115 HB1 ALA 16 HB1 ALA 16 43.835 14.408 1.314
116 HB2 ALA 16 HB2 ALA 16 45.061 13.122 1.187
117 HB3 ALA 16 HB3 ALA 16 45.318 14.682 0.369
118 H GLY 17 HN GLY 17 46.272 15.159 4.919
119 HA2 GLY 17 HA1 GLY 17 44.965 12.824 6.060
120 HA3 GLY 17 HA2 GLY 17 45.773 14.131 6.944
121 H LYS 18 HN LYS 18 43.344 15.012 4.631
122 HA LYS 18 HA LYS 18 41.316 16.099 4.952
123 HB2 LYS 18 HB2 LYS 18 41.027 13.910 7.048
124 HB3 LYS 18 HB1 LYS 18 39.696 14.914 6.425
125 HG2 LYS 18 HG2 LYS 18 40.306 14.116 4.094
126 HG3 LYS 18 HG1 LYS 18 41.438 12.970 4.852
127 HD2 LYS 18 HD2 LYS 18 39.494 12.086 6.219
128 HD3 LYS 18 HD1 LYS 18 38.417 13.102 5.231
129 HE2 LYS 18 HE2 LYS 18 39.420 11.957 3.176
130 HE3 LYS 18 HE1 LYS 18 40.189 10.809 4.299
131 HZ1 LYS 18 HZ1 LYS 18 37.613 10.897 5.151
132 HZ2 LYS 18 HZ2 LYS 18 38.277 9.697 4.149
133 HZ3 LYS 18 HZ3 LYS 18 37.438 11.008 3.468
134 H ALA 19 HN ALA 19 43.766 16.560 6.897
135 HA ALA 19 HA ALA 19 42.499 18.751 8.314
136 HB1 ALA 19 HB1 ALA 19 43.537 16.497 10.057
137 HB2 ALA 19 HB2 ALA 19 41.811 16.746 9.698
138 HB3 ALA 19 HB3 ALA 19 42.730 17.995 10.574
139 H ALA 20 HN ALA 20 45.141 16.854 7.266
140 HA ALA 20 HA ALA 20 47.224 18.216 8.772
141 HB1 ALA 20 HB1 ALA 20 47.265 16.580 6.214
142 HB2 ALA 20 HB2 ALA 20 47.662 16.027 7.859
143 HB3 ALA 20 HB3 ALA 20 48.722 17.193 7.031
144 H LEU 21 HN LEU 21 47.608 18.150 5.314
145 HA LEU 21 HA LEU 21 48.133 21.054 5.312
146 HB2 LEU 21 HB2 LEU 21 48.107 19.207 2.902
147 HB3 LEU 21 HB1 LEU 21 49.027 20.712 3.139
148 HG LEU 21 HG LEU 21 49.435 18.084 4.635
149 HD11 LEU 21 HD11 LEU 21 51.255 19.604 2.717
150 HD12 LEU 21 HD12 LEU 21 50.266 18.195 2.263
151 HD13 LEU 21 HD13 LEU 21 51.573 18.018 3.458
152 HD21 LEU 21 HD21 LEU 21 49.929 19.822 6.203
153 HD22 LEU 21 HD22 LEU 21 50.662 20.855 4.953
154 HD23 LEU 21 HD23 LEU 21 51.503 19.385 5.502
155 H THR 22 HN THR 22 45.682 21.174 6.023
156 HA THR 22 HA THR 22 44.281 22.240 3.687
157 HB THR 22 HB THR 22 43.048 19.854 5.138
158 HG1 THR 22 HG1 THR 22 44.701 19.361 3.588
159 HG21 THR 22 HG21 THR 22 41.347 20.149 3.226
160 HG22 THR 22 HG22 THR 22 42.062 21.760 2.984
161 HG23 THR 22 HG23 THR 22 41.291 21.351 4.536
162 H HIS 23 HN HIS 23 44.813 21.771 7.039
163 HA HIS 23 HA HIS 23 42.975 24.044 7.646
164 HB2 HIS 23 HB2 HIS 23 41.728 21.873 8.063
165 HB3 HIS 23 HB1 HIS 23 42.957 21.483 9.290
166 HD1 HIS 23 HD1 HIS 23 41.646 25.003 8.685
167 HD2 HIS 23 HD2 HIS 23 41.187 21.893 11.478
168 HE1 HIS 23 HE1 HIS 23 40.409 25.966 10.702
169 H TYR 24 HN TYR 24 45.807 23.919 7.375
170 HA TYR 24 HA TYR 24 47.228 23.489 9.777
171 HB2 TYR 24 HB2 TYR 24 48.219 24.037 7.537
172 HB3 TYR 24 HB1 TYR 24 47.711 25.728 7.772
173 HD1 TYR 24 HD1 TYR 24 49.971 23.032 8.957
174 HD2 TYR 24 HD2 TYR 24 48.800 27.161 9.424
175 HE1 TYR 24 HE1 TYR 24 52.016 23.458 10.314
176 HE2 TYR 24 HE2 TYR 24 50.845 27.587 10.781
177 HH TYR 24 HH TYR 24 52.791 25.178 12.056
178 H LEU 25 HN LEU 25 44.778 25.783 9.085
179 HA LEU 25 HA LEU 25 45.682 27.866 10.908
180 HB2 LEU 25 HB2 LEU 25 42.802 27.364 10.086
181 HB3 LEU 25 HB1 LEU 25 43.598 28.909 10.470
182 HG LEU 25 HG LEU 25 44.134 27.141 8.041
183 HD11 LEU 25 HD11 LEU 25 42.022 28.531 8.055
184 HD12 LEU 25 HD12 LEU 25 43.173 28.982 6.774
185 HD13 LEU 25 HD13 LEU 25 43.038 29.979 8.242
186 HD21 LEU 25 HD21 LEU 25 45.572 29.185 7.375
187 HD22 LEU 25 HD22 LEU 25 46.241 28.120 8.632
188 HD23 LEU 25 HD23 LEU 25 45.483 29.666 9.086
Start of MODEL 28
1 H1 GLY 1 HT1 GLY 1 60.055 1.224 -10.597
2 H2 GLY 1 HT2 GLY 1 59.887 0.210 -11.950
3 H3 GLY 1 HT3 GLY 1 61.208 1.273 -11.838
4 HA2 GLY 1 HA1 GLY 1 60.896 -1.346 -10.846
5 HA3 GLY 1 HA2 GLY 1 62.360 -0.355 -11.004
6 H TRP 2 HN TRP 2 59.671 0.956 -9.240
7 HA TRP 2 HA TRP 2 60.465 -0.097 -6.641
8 HB2 TRP 2 HB2 TRP 2 62.350 1.454 -7.026
9 HB3 TRP 2 HB1 TRP 2 61.200 2.782 -7.308
10 HD1 TRP 2 HD1 TRP 2 61.741 0.118 -4.526
11 HE1 TRP 2 HE1 TRP 2 61.434 1.256 -2.208
12 HE3 TRP 2 HE3 TRP 2 60.637 4.865 -6.096
13 HZ2 TRP 2 HZ2 TRP 2 60.795 3.878 -1.204
14 HZ3 TRP 2 HZ3 TRP 2 60.182 6.668 -4.440
15 HH2 TRP 2 HH2 TRP 2 60.261 6.181 -1.999
16 H GLY 3 HN GLY 3 58.188 -0.528 -6.726
17 HA2 GLY 3 HA1 GLY 3 56.606 1.245 -5.261
18 HA3 GLY 3 HA2 GLY 3 56.281 1.638 -6.961
19 H SER 4 HN SER 4 57.203 -1.618 -6.396
20 HA SER 4 HA SER 4 55.995 -3.579 -6.688
21 HB2 SER 4 HB2 SER 4 53.843 -2.178 -5.062
22 HB3 SER 4 HB1 SER 4 54.164 -3.923 -5.170
23 HG SER 4 HG SER 4 55.318 -3.478 -3.444
24 H PHE 5 HN PHE 5 52.935 -3.536 -6.525
25 HA PHE 5 HA PHE 5 52.433 -3.557 -9.324
26 HB2 PHE 5 HB2 PHE 5 50.301 -2.998 -7.236
27 HB3 PHE 5 HB1 PHE 5 50.161 -3.917 -8.755
28 HD1 PHE 5 HD1 PHE 5 50.974 -6.217 -8.923
29 HD2 PHE 5 HD2 PHE 5 51.445 -3.960 -5.274
30 HE1 PHE 5 HE1 PHE 5 51.562 -8.309 -7.704
31 HE2 PHE 5 HE2 PHE 5 52.032 -6.051 -4.055
32 HZ PHE 5 HZ PHE 5 52.042 -8.233 -5.259
33 H PHE 6 HN PHE 6 49.968 -2.072 -9.482
34 HA PHE 6 HA PHE 6 51.020 0.436 -10.417
35 HB2 PHE 6 HB2 PHE 6 48.164 -0.440 -9.832
36 HB3 PHE 6 HB1 PHE 6 48.613 1.048 -10.700
37 HD1 PHE 6 HD1 PHE 6 49.715 0.940 -12.917
38 HD2 PHE 6 HD2 PHE 6 48.412 -2.630 -10.872
39 HE1 PHE 6 HE1 PHE 6 49.940 -0.355 -15.034
40 HE2 PHE 6 HE2 PHE 6 48.636 -3.924 -12.989
41 HZ PHE 6 HZ PHE 6 49.370 -2.780 -15.077
42 H LYS 7 HN LYS 7 49.776 -0.665 -7.345
43 HA LYS 7 HA LYS 7 50.692 1.723 -6.010
44 HB2 LYS 7 HB2 LYS 7 48.535 2.609 -5.243
45 HB3 LYS 7 HB1 LYS 7 48.629 2.670 -7.019
46 HG2 LYS 7 HG2 LYS 7 47.402 0.449 -7.073
47 HG3 LYS 7 HG1 LYS 7 47.149 0.619 -5.320
48 HD2 LYS 7 HD2 LYS 7 46.096 2.883 -5.784
49 HD3 LYS 7 HD1 LYS 7 46.163 2.482 -7.517
50 HE2 LYS 7 HE2 LYS 7 43.961 1.869 -6.700
51 HE3 LYS 7 HE1 LYS 7 44.870 0.369 -6.998
52 HZ1 LYS 7 HZ1 LYS 7 44.668 -0.172 -4.871
53 HZ2 LYS 7 HZ2 LYS 7 43.684 1.192 -4.624
54 HZ3 LYS 7 HZ3 LYS 7 45.361 1.293 -4.369
55 H LYS 8 HN LYS 8 49.758 1.737 -3.650
56 HA LYS 8 HA LYS 8 48.799 -0.792 -2.617
57 HB2 LYS 8 HB2 LYS 8 51.194 -1.362 -3.255
58 HB3 LYS 8 HB1 LYS 8 51.720 -0.182 -2.030
59 HG2 LYS 8 HG2 LYS 8 50.577 -1.425 -0.267
60 HG3 LYS 8 HG1 LYS 8 49.881 -2.548 -1.459
61 HD2 LYS 8 HD2 LYS 8 52.183 -3.253 -2.109
62 HD3 LYS 8 HD1 LYS 8 52.847 -2.177 -0.855
63 HE2 LYS 8 HE2 LYS 8 52.732 -4.392 0.101
64 HE3 LYS 8 HE1 LYS 8 51.424 -3.435 0.837
65 HZ1 LYS 8 HZ1 LYS 8 51.129 -5.299 -1.468
66 HZ2 LYS 8 HZ2 LYS 8 49.881 -4.386 -0.763
67 HZ3 LYS 8 HZ3 LYS 8 50.646 -5.614 0.127
68 H ALA 9 HN ALA 9 49.958 2.436 -2.356
69 HA ALA 9 HA ALA 9 48.441 2.846 0.093
70 HB1 ALA 9 HB1 ALA 9 50.325 3.560 1.505
71 HB2 ALA 9 HB2 ALA 9 51.469 3.053 0.239
72 HB3 ALA 9 HB3 ALA 9 50.463 1.841 1.068
73 H ALA 10 HN ALA 10 51.353 4.237 -1.504
74 HA ALA 10 HA ALA 10 51.749 6.409 -2.226
75 HB1 ALA 10 HB1 ALA 10 50.076 5.518 -3.911
76 HB2 ALA 10 HB2 ALA 10 50.149 7.291 -3.768
77 HB3 ALA 10 HB3 ALA 10 48.818 6.388 -3.003
78 H HIS 11 HN HIS 11 49.999 8.641 -2.435
79 HA HIS 11 HA HIS 11 48.847 9.122 0.232
80 HB2 HIS 11 HB2 HIS 11 51.333 10.636 -0.669
81 HB3 HIS 11 HB1 HIS 11 50.344 11.017 0.761
82 HD1 HIS 11 HD1 HIS 11 52.812 8.495 -0.607
83 HD2 HIS 11 HD2 HIS 11 50.705 9.252 2.954
84 HE1 HIS 11 HE1 HIS 11 53.765 6.944 1.186
85 H ALA 12 HN ALA 12 50.395 11.319 -2.133
86 HA ALA 12 HA ALA 12 49.480 13.080 -3.336
87 HB1 ALA 12 HB1 ALA 12 47.317 12.553 -4.511
88 HB2 ALA 12 HB2 ALA 12 47.254 11.033 -3.586
89 HB3 ALA 12 HB3 ALA 12 48.589 11.328 -4.725
90 H GLY 13 HN GLY 13 49.300 13.500 -0.648
91 HA2 GLY 13 HA1 GLY 13 48.128 14.688 0.958
92 HA3 GLY 13 HA2 GLY 13 47.388 15.529 -0.420
93 H LYS 14 HN LYS 14 47.097 12.824 1.842
94 HA LYS 14 HA LYS 14 44.222 13.112 1.943
95 HB2 LYS 14 HB2 LYS 14 44.303 11.984 -0.232
96 HB3 LYS 14 HB1 LYS 14 45.316 10.691 0.454
97 HG2 LYS 14 HG2 LYS 14 43.546 9.893 1.848
98 HG3 LYS 14 HG1 LYS 14 42.575 11.363 1.595
99 HD2 LYS 14 HD2 LYS 14 41.740 9.402 0.270
100 HD3 LYS 14 HD1 LYS 14 42.216 10.778 -0.753
101 HE2 LYS 14 HE2 LYS 14 44.245 9.726 -1.422
102 HE3 LYS 14 HE1 LYS 14 44.154 8.524 -0.110
103 HZ1 LYS 14 HZ1 LYS 14 43.436 7.895 -2.514
104 HZ2 LYS 14 HZ2 LYS 14 41.983 8.670 -2.097
105 HZ3 LYS 14 HZ3 LYS 14 42.532 7.341 -1.192
106 H HIS 15 HN HIS 15 46.042 10.049 2.014
107 HA HIS 15 HA HIS 15 45.181 9.555 4.754
108 HB2 HIS 15 HB2 HIS 15 47.122 8.130 2.895
109 HB3 HIS 15 HB1 HIS 15 46.715 7.547 4.527
110 HD1 HIS 15 HD1 HIS 15 45.884 6.612 1.325
111 HD2 HIS 15 HD2 HIS 15 43.483 7.900 4.530
112 HE1 HIS 15 HE1 HIS 15 43.515 5.757 0.894
113 H ALA 16 HN ALA 16 47.645 11.421 3.391
114 HA ALA 16 HA ALA 16 49.741 10.904 5.328
115 HB1 ALA 16 HB1 ALA 16 50.296 11.909 3.208
116 HB2 ALA 16 HB2 ALA 16 50.640 13.095 4.491
117 HB3 ALA 16 HB3 ALA 16 49.172 13.257 3.497
118 H GLY 17 HN GLY 17 47.330 13.547 4.953
119 HA2 GLY 17 HA1 GLY 17 46.238 14.743 6.632
120 HA3 GLY 17 HA2 GLY 17 47.051 13.751 7.858
121 H LYS 18 HN LYS 18 49.725 14.327 6.651
122 HA LYS 18 HA LYS 18 50.449 16.517 8.305
123 HB2 LYS 18 HB2 LYS 18 51.807 15.381 5.830
124 HB3 LYS 18 HB1 LYS 18 52.560 16.544 6.948
125 HG2 LYS 18 HG2 LYS 18 52.170 14.934 8.827
126 HG3 LYS 18 HG1 LYS 18 51.535 13.758 7.651
127 HD2 LYS 18 HD2 LYS 18 53.687 13.764 6.449
128 HD3 LYS 18 HD1 LYS 18 54.329 14.982 7.578
129 HE2 LYS 18 HE2 LYS 18 54.034 13.409 9.462
130 HE3 LYS 18 HE1 LYS 18 53.368 12.192 8.349
131 HZ1 LYS 18 HZ1 LYS 18 56.061 13.398 8.004
132 HZ2 LYS 18 HZ2 LYS 18 55.424 12.029 7.227
133 HZ3 LYS 18 HZ3 LYS 18 55.797 11.972 8.884
134 H ALA 19 HN ALA 19 48.853 16.459 5.263
135 HA ALA 19 HA ALA 19 48.641 19.354 5.240
136 HB1 ALA 19 HB1 ALA 19 49.744 19.685 3.028
137 HB2 ALA 19 HB2 ALA 19 50.373 18.022 3.130
138 HB3 ALA 19 HB3 ALA 19 50.884 19.243 4.321
139 H ALA 20 HN ALA 20 46.570 17.830 5.428
140 HA ALA 20 HA ALA 20 45.122 18.264 2.966
141 HB1 ALA 20 HB1 ALA 20 46.350 16.263 2.249
142 HB2 ALA 20 HB2 ALA 20 44.614 15.912 2.429
143 HB3 ALA 20 HB3 ALA 20 45.766 15.381 3.679
144 H LEU 21 HN LEU 21 45.125 15.893 5.677
145 HA LEU 21 HA LEU 21 42.281 16.118 6.074
146 HB2 LEU 21 HB2 LEU 21 43.738 14.175 6.771
147 HB3 LEU 21 HB1 LEU 21 44.383 15.200 8.070
148 HG LEU 21 HG LEU 21 41.987 15.530 8.881
149 HD11 LEU 21 HD11 LEU 21 41.507 13.503 6.665
150 HD12 LEU 21 HD12 LEU 21 40.561 14.951 7.085
151 HD13 LEU 21 HD13 LEU 21 40.472 13.507 8.112
152 HD21 LEU 21 HD21 LEU 21 41.917 13.330 10.000
153 HD22 LEU 21 HD22 LEU 21 43.587 13.939 9.924
154 HD23 LEU 21 HD23 LEU 21 43.050 12.670 8.797
155 H THR 22 HN THR 22 42.073 18.474 6.067
156 HA THR 22 HA THR 22 41.918 20.540 7.129
157 HB THR 22 HB THR 22 41.103 20.434 9.496
158 HG1 THR 22 HG1 THR 22 40.752 17.923 9.881
159 HG21 THR 22 HG21 THR 22 39.063 19.157 8.994
160 HG22 THR 22 HG22 THR 22 39.887 18.341 7.644
161 HG23 THR 22 HG23 THR 22 39.568 20.091 7.566
162 H HIS 23 HN HIS 23 44.468 20.306 6.661
163 HA HIS 23 HA HIS 23 46.087 20.286 9.114
164 HB2 HIS 23 HB2 HIS 23 47.937 20.887 7.578
165 HB3 HIS 23 HB1 HIS 23 47.021 19.480 6.988
166 HD1 HIS 23 HD1 HIS 23 48.051 22.931 6.099
167 HD2 HIS 23 HD2 HIS 23 45.077 20.224 4.872
168 HE1 HIS 23 HE1 HIS 23 47.171 23.737 3.840
169 H TYR 24 HN TYR 24 45.717 21.921 10.508
170 HA TYR 24 HA TYR 24 44.852 24.533 9.818
171 HB2 TYR 24 HB2 TYR 24 46.480 23.526 12.183
172 HB3 TYR 24 HB1 TYR 24 45.817 25.174 12.070
173 HD1 TYR 24 HD1 TYR 24 44.985 21.571 12.382
174 HD2 TYR 24 HD2 TYR 24 43.411 25.586 12.211
175 HE1 TYR 24 HE1 TYR 24 42.776 20.739 13.180
176 HE2 TYR 24 HE2 TYR 24 41.203 24.755 13.010
177 HH TYR 24 HH TYR 24 40.049 22.063 12.956
178 H LEU 25 HN LEU 25 48.148 23.206 10.219
179 HA LEU 25 HA LEU 25 49.445 25.765 9.766
180 HB2 LEU 25 HB2 LEU 25 50.357 22.868 9.756
181 HB3 LEU 25 HB1 LEU 25 51.464 24.177 9.281
182 HG LEU 25 HG LEU 25 51.176 25.275 11.443
183 HD11 LEU 25 HD11 LEU 25 48.893 24.857 12.007
184 HD12 LEU 25 HD12 LEU 25 49.833 23.979 13.234
185 HD13 LEU 25 HD13 LEU 25 49.097 23.094 11.876
186 HD21 LEU 25 HD21 LEU 25 52.860 23.458 11.262
187 HD22 LEU 25 HD22 LEU 25 51.631 22.273 11.768
188 HD23 LEU 25 HD23 LEU 25 52.170 23.536 12.900
Start of MODEL 29
1 H1 GLY 1 HT1 GLY 1 57.872 7.049 -7.519
2 H2 GLY 1 HT2 GLY 1 57.063 7.447 -6.078
3 H3 GLY 1 HT3 GLY 1 58.265 6.247 -6.078
4 HA2 GLY 1 HA1 GLY 1 59.894 7.669 -5.880
5 HA3 GLY 1 HA2 GLY 1 59.182 8.729 -7.111
6 H TRP 2 HN TRP 2 56.861 9.573 -6.194
7 HA TRP 2 HA TRP 2 57.634 11.380 -4.054
8 HB2 TRP 2 HB2 TRP 2 54.963 10.823 -5.405
9 HB3 TRP 2 HB1 TRP 2 55.233 12.121 -4.218
10 HD1 TRP 2 HD1 TRP 2 57.527 13.705 -4.924
11 HE1 TRP 2 HE1 TRP 2 58.026 14.777 -7.241
12 HE3 TRP 2 HE3 TRP 2 54.577 10.713 -7.851
13 HZ2 TRP 2 HZ2 TRP 2 57.231 14.367 -9.980
14 HZ3 TRP 2 HZ3 TRP 2 54.462 11.072 -10.311
15 HH2 TRP 2 HH2 TRP 2 55.785 12.894 -11.378
16 H GLY 3 HN GLY 3 54.584 9.542 -4.093
17 HA2 GLY 3 HA1 GLY 3 55.141 7.848 -1.878
18 HA3 GLY 3 HA2 GLY 3 54.461 9.364 -1.250
19 H SER 4 HN SER 4 53.812 7.362 -4.160
20 HA SER 4 HA SER 4 51.203 6.540 -3.152
21 HB2 SER 4 HB2 SER 4 51.226 8.535 -5.448
22 HB3 SER 4 HB1 SER 4 49.807 7.772 -4.698
23 HG SER 4 HG SER 4 50.115 8.967 -2.900
24 H PHE 5 HN PHE 5 53.850 5.802 -4.650
25 HA PHE 5 HA PHE 5 52.889 4.743 -7.203
26 HB2 PHE 5 HB2 PHE 5 55.106 3.670 -7.308
27 HB3 PHE 5 HB1 PHE 5 55.250 5.388 -6.863
28 HD1 PHE 5 HD1 PHE 5 55.335 1.894 -5.563
29 HD2 PHE 5 HD2 PHE 5 56.054 6.056 -4.679
30 HE1 PHE 5 HE1 PHE 5 56.515 1.245 -3.467
31 HE2 PHE 5 HE2 PHE 5 57.234 5.408 -2.583
32 HZ PHE 5 HZ PHE 5 57.530 2.999 -2.017
33 H PHE 6 HN PHE 6 52.420 3.842 -4.002
34 HA PHE 6 HA PHE 6 52.714 0.994 -4.144
35 HB2 PHE 6 HB2 PHE 6 50.783 2.664 -2.483
36 HB3 PHE 6 HB1 PHE 6 51.204 0.959 -2.191
37 HD1 PHE 6 HD1 PHE 6 53.647 0.354 -1.745
38 HD2 PHE 6 HD2 PHE 6 52.203 4.422 -1.691
39 HE1 PHE 6 HE1 PHE 6 55.666 1.055 -0.464
40 HE2 PHE 6 HE2 PHE 6 54.223 5.122 -0.409
41 HZ PHE 6 HZ PHE 6 55.952 3.437 0.206
42 H LYS 7 HN LYS 7 51.178 -0.660 -4.435
43 HA LYS 7 HA LYS 7 49.287 -0.109 -6.583
44 HB2 LYS 7 HB2 LYS 7 48.756 -2.509 -6.400
45 HB3 LYS 7 HB1 LYS 7 50.517 -2.247 -6.429
46 HG2 LYS 7 HG2 LYS 7 50.436 -2.270 -3.869
47 HG3 LYS 7 HG1 LYS 7 48.762 -2.853 -4.013
48 HD2 LYS 7 HD2 LYS 7 51.257 -4.202 -5.141
49 HD3 LYS 7 HD1 LYS 7 50.287 -4.761 -3.759
50 HE2 LYS 7 HE2 LYS 7 49.543 -4.712 -6.701
51 HE3 LYS 7 HE1 LYS 7 49.489 -6.075 -5.561
52 HZ1 LYS 7 HZ1 LYS 7 47.303 -5.490 -5.612
53 HZ2 LYS 7 HZ2 LYS 7 47.609 -3.845 -5.896
54 HZ3 LYS 7 HZ3 LYS 7 47.811 -4.493 -4.339
55 H LYS 8 HN LYS 8 49.170 -0.063 -3.135
56 HA LYS 8 HA LYS 8 46.434 -0.797 -2.725
57 HB2 LYS 8 HB2 LYS 8 48.227 1.118 -1.180
58 HB3 LYS 8 HB1 LYS 8 46.658 0.503 -0.607
59 HG2 LYS 8 HG2 LYS 8 47.518 -1.830 -0.827
60 HG3 LYS 8 HG1 LYS 8 49.101 -1.179 -1.317
61 HD2 LYS 8 HD2 LYS 8 49.288 0.017 0.841
62 HD3 LYS 8 HD1 LYS 8 47.698 -0.616 1.333
63 HE2 LYS 8 HE2 LYS 8 48.633 -2.956 0.991
64 HE3 LYS 8 HE1 LYS 8 50.236 -2.209 0.785
65 HZ1 LYS 8 HZ1 LYS 8 49.360 -2.986 3.130
66 HZ2 LYS 8 HZ2 LYS 8 48.652 -1.442 3.130
67 HZ3 LYS 8 HZ3 LYS 8 50.334 -1.608 2.961
68 H ALA 9 HN ALA 9 45.033 0.090 -4.204
69 HA ALA 9 HA ALA 9 45.035 2.962 -4.762
70 HB1 ALA 9 HB1 ALA 9 44.288 1.404 -6.463
71 HB2 ALA 9 HB2 ALA 9 42.915 2.424 -5.968
72 HB3 ALA 9 HB3 ALA 9 43.044 0.752 -5.372
73 H ALA 10 HN ALA 10 45.028 3.274 -2.255
74 HA ALA 10 HA ALA 10 42.414 4.329 -1.600
75 HB1 ALA 10 HB1 ALA 10 41.980 2.917 0.385
76 HB2 ALA 10 HB2 ALA 10 43.348 1.874 -0.073
77 HB3 ALA 10 HB3 ALA 10 41.916 1.981 -1.127
78 H HIS 11 HN HIS 11 42.381 5.218 0.678
79 HA HIS 11 HA HIS 11 44.873 6.652 1.106
80 HB2 HIS 11 HB2 HIS 11 43.677 7.650 3.030
81 HB3 HIS 11 HB1 HIS 11 42.680 7.679 1.555
82 HD1 HIS 11 HD1 HIS 11 40.844 5.705 1.330
83 HD2 HIS 11 HD2 HIS 11 42.489 6.309 5.154
84 HE1 HIS 11 HE1 HIS 11 39.335 4.504 3.008
85 H ALA 12 HN ALA 12 45.737 6.837 3.436
86 HA ALA 12 HA ALA 12 45.587 4.512 5.139
87 HB1 ALA 12 HB1 ALA 12 47.869 3.644 4.750
88 HB2 ALA 12 HB2 ALA 12 48.043 4.750 3.366
89 HB3 ALA 12 HB3 ALA 12 46.831 3.447 3.319
90 H GLY 13 HN GLY 13 46.231 7.650 4.488
91 HA2 GLY 13 HA1 GLY 13 46.949 9.351 5.897
92 HA3 GLY 13 HA2 GLY 13 47.237 8.141 7.164
93 H LYS 14 HN LYS 14 48.910 10.357 6.718
94 HA LYS 14 HA LYS 14 51.157 10.859 6.457
95 HB2 LYS 14 HB2 LYS 14 51.609 7.852 6.494
96 HB3 LYS 14 HB1 LYS 14 52.755 9.132 6.962
97 HG2 LYS 14 HG2 LYS 14 51.209 9.815 8.798
98 HG3 LYS 14 HG1 LYS 14 50.121 8.478 8.355
99 HD2 LYS 14 HD2 LYS 14 51.799 6.826 8.898
100 HD3 LYS 14 HD1 LYS 14 53.050 8.079 9.091
101 HE2 LYS 14 HE2 LYS 14 52.172 7.291 11.290
102 HE3 LYS 14 HE1 LYS 14 51.843 9.020 11.020
103 HZ1 LYS 14 HZ1 LYS 14 49.961 6.739 10.753
104 HZ2 LYS 14 HZ2 LYS 14 49.624 8.283 10.129
105 HZ3 LYS 14 HZ3 LYS 14 49.849 8.068 11.800
106 H HIS 15 HN HIS 15 49.332 9.783 4.120
107 HA HIS 15 HA HIS 15 51.403 10.177 2.064
108 HB2 HIS 15 HB2 HIS 15 49.844 7.561 2.165
109 HB3 HIS 15 HB1 HIS 15 50.978 8.070 0.890
110 HD1 HIS 15 HD1 HIS 15 50.803 6.668 4.368
111 HD2 HIS 15 HD2 HIS 15 53.738 7.999 1.669
112 HE1 HIS 15 HE1 HIS 15 53.073 5.960 5.301
113 H ALA 16 HN ALA 16 48.132 9.814 3.185
114 HA ALA 16 HA ALA 16 47.156 11.608 1.117
115 HB1 ALA 16 HB1 ALA 16 45.628 10.103 -0.000
116 HB2 ALA 16 HB2 ALA 16 46.130 8.750 1.043
117 HB3 ALA 16 HB3 ALA 16 47.273 9.439 -0.135
118 H GLY 17 HN GLY 17 47.281 11.360 4.028
119 HA2 GLY 17 HA1 GLY 17 44.620 10.653 4.972
120 HA3 GLY 17 HA2 GLY 17 45.893 11.481 5.890
121 H LYS 18 HN LYS 18 44.592 12.543 2.769
122 HA LYS 18 HA LYS 18 43.622 14.576 2.196
123 HB2 LYS 18 HB2 LYS 18 42.133 14.151 4.818
124 HB3 LYS 18 HB1 LYS 18 41.620 15.191 3.467
125 HG2 LYS 18 HG2 LYS 18 41.586 13.180 1.977
126 HG3 LYS 18 HG1 LYS 18 41.991 12.165 3.381
127 HD2 LYS 18 HD2 LYS 18 39.927 12.998 4.532
128 HD3 LYS 18 HD1 LYS 18 39.506 13.904 3.058
129 HE2 LYS 18 HE2 LYS 18 39.733 10.889 3.395
130 HE3 LYS 18 HE1 LYS 18 38.298 11.833 2.930
131 HZ1 LYS 18 HZ1 LYS 18 39.968 12.588 1.029
132 HZ2 LYS 18 HZ2 LYS 18 38.989 11.207 0.882
133 HZ3 LYS 18 HZ3 LYS 18 40.621 11.053 1.334
134 H ALA 19 HN ALA 19 46.032 14.501 4.034
135 HA ALA 19 HA ALA 19 46.131 17.378 4.502
136 HB1 ALA 19 HB1 ALA 19 46.396 17.354 6.891
137 HB2 ALA 19 HB2 ALA 19 46.315 15.576 6.937
138 HB3 ALA 19 HB3 ALA 19 44.868 16.524 6.513
139 H ALA 20 HN ALA 20 47.490 14.138 5.041
140 HA ALA 20 HA ALA 20 50.183 15.003 5.540
141 HB1 ALA 20 HB1 ALA 20 49.518 12.764 6.108
142 HB2 ALA 20 HB2 ALA 20 50.757 12.651 4.835
143 HB3 ALA 20 HB3 ALA 20 49.039 12.420 4.430
144 H LEU 21 HN LEU 21 48.422 14.092 2.567
145 HA LEU 21 HA LEU 21 50.520 14.080 0.727
146 HB2 LEU 21 HB2 LEU 21 48.283 13.518 0.036
147 HB3 LEU 21 HB1 LEU 21 47.676 15.130 0.469
148 HG LEU 21 HG LEU 21 48.897 16.167 -1.350
149 HD11 LEU 21 HD11 LEU 21 50.238 14.607 -2.930
150 HD12 LEU 21 HD12 LEU 21 50.224 13.437 -1.588
151 HD13 LEU 21 HD13 LEU 21 50.995 15.028 -1.376
152 HD21 LEU 21 HD21 LEU 21 47.821 15.129 -3.253
153 HD22 LEU 21 HD22 LEU 21 46.745 14.912 -1.851
154 HD23 LEU 21 HD23 LEU 21 47.747 13.557 -2.423
155 H THR 22 HN THR 22 48.391 16.949 1.080
156 HA THR 22 HA THR 22 50.153 18.766 -0.162
157 HB THR 22 HB THR 22 48.860 20.544 0.878
158 HG1 THR 22 HG1 THR 22 47.522 20.099 2.621
159 HG21 THR 22 HG21 THR 22 46.561 19.772 0.364
160 HG22 THR 22 HG22 THR 22 47.129 18.086 0.377
161 HG23 THR 22 HG23 THR 22 47.722 19.216 -0.864
162 H HIS 23 HN HIS 23 50.280 17.339 3.005
163 HA HIS 23 HA HIS 23 51.731 17.651 4.783
164 HB2 HIS 23 HB2 HIS 23 53.293 17.109 2.795
165 HB3 HIS 23 HB1 HIS 23 53.670 18.847 2.767
166 HD1 HIS 23 HD1 HIS 23 52.965 17.902 6.197
167 HD2 HIS 23 HD2 HIS 23 56.319 17.698 3.669
168 HE1 HIS 23 HE1 HIS 23 55.015 17.544 7.678
169 H TYR 24 HN TYR 24 53.912 19.859 4.536
170 HA TYR 24 HA TYR 24 52.311 21.902 5.917
171 HB2 TYR 24 HB2 TYR 24 54.655 21.197 6.583
172 HB3 TYR 24 HB1 TYR 24 55.243 22.015 5.117
173 HD1 TYR 24 HD1 TYR 24 55.109 24.462 4.889
174 HD2 TYR 24 HD2 TYR 24 53.724 22.471 8.458
175 HE1 TYR 24 HE1 TYR 24 55.051 26.647 6.085
176 HE2 TYR 24 HE2 TYR 24 53.664 24.655 9.654
177 HH TYR 24 HH TYR 24 54.713 27.666 8.096
178 H LEU 25 HN LEU 25 53.467 21.288 2.706
179 HA LEU 25 HA LEU 25 53.522 24.064 1.831
180 HB2 LEU 25 HB2 LEU 25 53.074 21.650 0.045
181 HB3 LEU 25 HB1 LEU 25 53.881 23.188 -0.344
182 HG LEU 25 HG LEU 25 54.889 21.043 1.578
183 HD11 LEU 25 HD11 LEU 25 56.042 22.082 -1.047
184 HD12 LEU 25 HD12 LEU 25 55.096 20.583 -0.892
185 HD13 LEU 25 HD13 LEU 25 56.664 20.737 -0.065
186 HD21 LEU 25 HD21 LEU 25 56.973 22.579 1.546
187 HD22 LEU 25 HD22 LEU 25 55.583 23.140 2.502
188 HD23 LEU 25 HD23 LEU 25 55.896 23.837 0.894
Start of MODEL 30
1 H1 GLY 1 HT1 GLY 1 59.918 -2.567 -6.745
2 H2 GLY 1 HT2 GLY 1 58.759 -1.616 -5.943
3 H3 GLY 1 HT3 GLY 1 59.161 -3.156 -5.349
4 HA2 GLY 1 HA1 GLY 1 60.345 -1.889 -3.950
5 HA3 GLY 1 HA2 GLY 1 61.525 -2.197 -5.241
6 H TRP 2 HN TRP 2 59.759 -0.416 -7.029
7 HA TRP 2 HA TRP 2 61.291 1.998 -6.594
8 HB2 TRP 2 HB2 TRP 2 58.827 1.496 -8.312
9 HB3 TRP 2 HB1 TRP 2 59.885 2.925 -8.411
10 HD1 TRP 2 HD1 TRP 2 62.396 2.535 -9.275
11 HE1 TRP 2 HE1 TRP 2 63.451 0.705 -10.791
12 HE3 TRP 2 HE3 TRP 2 58.704 -0.997 -8.962
13 HZ2 TRP 2 HZ2 TRP 2 62.756 -1.930 -11.725
14 HZ3 TRP 2 HZ3 TRP 2 58.920 -3.162 -10.174
15 HH2 TRP 2 HH2 TRP 2 60.942 -3.631 -11.553
16 H GLY 3 HN GLY 3 58.209 0.817 -5.464
17 HA2 GLY 3 HA1 GLY 3 56.703 1.740 -3.972
18 HA3 GLY 3 HA2 GLY 3 57.960 2.913 -3.535
19 H SER 4 HN SER 4 56.248 2.308 -6.624
20 HA SER 4 HA SER 4 54.642 4.725 -6.368
21 HB2 SER 4 HB2 SER 4 56.900 4.797 -8.403
22 HB3 SER 4 HB1 SER 4 55.696 6.064 -8.082
23 HG SER 4 HG SER 4 57.876 5.190 -6.517
24 H PHE 5 HN PHE 5 55.492 1.764 -7.710
25 HA PHE 5 HA PHE 5 54.379 1.878 -10.321
26 HB2 PHE 5 HB2 PHE 5 55.664 -0.044 -9.332
27 HB3 PHE 5 HB1 PHE 5 54.220 -0.460 -8.381
28 HD1 PHE 5 HD1 PHE 5 55.742 -0.413 -11.738
29 HD2 PHE 5 HD2 PHE 5 52.142 -1.223 -9.499
30 HE1 PHE 5 HE1 PHE 5 54.798 -1.631 -13.697
31 HE2 PHE 5 HE2 PHE 5 51.197 -2.441 -11.459
32 HZ PHE 5 HZ PHE 5 52.525 -2.643 -13.558
33 H PHE 6 HN PHE 6 52.868 1.651 -7.136
34 HA PHE 6 HA PHE 6 50.270 0.825 -7.982
35 HB2 PHE 6 HB2 PHE 6 50.995 2.671 -5.672
36 HB3 PHE 6 HB1 PHE 6 49.495 1.727 -5.847
37 HD1 PHE 6 HD1 PHE 6 53.098 1.601 -5.060
38 HD2 PHE 6 HD2 PHE 6 49.526 -0.744 -5.677
39 HE1 PHE 6 HE1 PHE 6 54.211 -0.370 -4.017
40 HE2 PHE 6 HE2 PHE 6 50.640 -2.714 -4.634
41 HZ PHE 6 HZ PHE 6 53.006 -2.546 -3.870
42 H LYS 7 HN LYS 7 48.359 2.516 -7.353
43 HA LYS 7 HA LYS 7 48.257 4.309 -9.592
44 HB2 LYS 7 HB2 LYS 7 46.567 4.315 -7.059
45 HB3 LYS 7 HB1 LYS 7 46.152 5.090 -8.606
46 HG2 LYS 7 HG2 LYS 7 46.208 2.877 -9.729
47 HG3 LYS 7 HG1 LYS 7 46.604 2.104 -8.174
48 HD2 LYS 7 HD2 LYS 7 44.476 2.988 -7.216
49 HD3 LYS 7 HD1 LYS 7 44.071 3.685 -8.803
50 HE2 LYS 7 HE2 LYS 7 44.243 1.376 -9.796
51 HE3 LYS 7 HE1 LYS 7 44.471 0.733 -8.152
52 HZ1 LYS 7 HZ1 LYS 7 42.314 0.982 -7.685
53 HZ2 LYS 7 HZ2 LYS 7 42.083 1.107 -9.364
54 HZ3 LYS 7 HZ3 LYS 7 42.213 2.511 -8.416
55 H LYS 8 HN LYS 8 47.226 6.678 -8.786
56 HA LYS 8 HA LYS 8 49.596 8.168 -8.118
57 HB2 LYS 8 HB2 LYS 8 48.051 10.113 -8.014
58 HB3 LYS 8 HB1 LYS 8 47.791 9.127 -9.475
59 HG2 LYS 8 HG2 LYS 8 45.941 7.921 -8.249
60 HG3 LYS 8 HG1 LYS 8 46.136 9.084 -6.916
61 HD2 LYS 8 HD2 LYS 8 45.620 10.952 -8.420
62 HD3 LYS 8 HD1 LYS 8 45.522 9.838 -9.806
63 HE2 LYS 8 HE2 LYS 8 43.610 8.690 -8.812
64 HE3 LYS 8 HE1 LYS 8 43.751 9.666 -7.330
65 HZ1 LYS 8 HZ1 LYS 8 42.260 10.955 -8.383
66 HZ2 LYS 8 HZ2 LYS 8 42.659 10.374 -9.930
67 HZ3 LYS 8 HZ3 LYS 8 43.615 11.572 -9.196
68 H ALA 9 HN ALA 9 50.223 9.227 -6.264
69 HA ALA 9 HA ALA 9 50.508 9.415 -3.969
70 HB1 ALA 9 HB1 ALA 9 47.478 9.300 -3.868
71 HB2 ALA 9 HB2 ALA 9 48.398 10.743 -4.359
72 HB3 ALA 9 HB3 ALA 9 48.576 10.091 -2.713
73 H ALA 10 HN ALA 10 49.360 8.488 -1.738
74 HA ALA 10 HA ALA 10 48.485 5.744 -1.874
75 HB1 ALA 10 HB1 ALA 10 50.562 4.713 -0.928
76 HB2 ALA 10 HB2 ALA 10 51.425 6.228 -1.284
77 HB3 ALA 10 HB3 ALA 10 50.739 5.260 -2.612
78 H HIS 11 HN HIS 11 48.263 8.481 -0.521
79 HA HIS 11 HA HIS 11 49.036 8.420 2.169
80 HB2 HIS 11 HB2 HIS 11 47.022 9.819 2.597
81 HB3 HIS 11 HB1 HIS 11 47.928 10.346 1.158
82 HD1 HIS 11 HD1 HIS 11 46.856 8.021 -0.753
83 HD2 HIS 11 HD2 HIS 11 44.503 10.626 1.564
84 HE1 HIS 11 HE1 HIS 11 44.523 8.070 -1.794
85 H ALA 12 HN ALA 12 48.699 7.068 3.793
86 HA ALA 12 HA ALA 12 46.710 4.925 3.541
87 HB1 ALA 12 HB1 ALA 12 47.599 4.182 5.696
88 HB2 ALA 12 HB2 ALA 12 48.498 5.708 5.871
89 HB3 ALA 12 HB3 ALA 12 48.927 4.562 4.576
90 H GLY 13 HN GLY 13 47.319 7.442 6.043
91 HA2 GLY 13 HA1 GLY 13 44.847 8.635 6.178
92 HA3 GLY 13 HA2 GLY 13 44.598 7.131 7.087
93 H LYS 14 HN LYS 14 47.051 9.754 6.812
94 HA LYS 14 HA LYS 14 46.740 10.488 9.589
95 HB2 LYS 14 HB2 LYS 14 47.876 8.356 9.998
96 HB3 LYS 14 HB1 LYS 14 49.185 8.815 8.884
97 HG2 LYS 14 HG2 LYS 14 49.897 10.616 10.318
98 HG3 LYS 14 HG1 LYS 14 48.439 10.470 11.330
99 HD2 LYS 14 HD2 LYS 14 49.145 8.285 12.137
100 HD3 LYS 14 HD1 LYS 14 50.523 8.268 11.009
101 HE2 LYS 14 HE2 LYS 14 51.451 10.285 12.141
102 HE3 LYS 14 HE1 LYS 14 50.098 10.242 13.296
103 HZ1 LYS 14 HZ1 LYS 14 51.104 7.694 13.308
104 HZ2 LYS 14 HZ2 LYS 14 51.368 8.884 14.491
105 HZ3 LYS 14 HZ3 LYS 14 52.491 8.668 13.234
106 H HIS 15 HN HIS 15 49.863 10.198 7.916
107 HA HIS 15 HA HIS 15 50.416 12.999 8.208
108 HB2 HIS 15 HB2 HIS 15 52.349 12.536 6.725
109 HB3 HIS 15 HB1 HIS 15 52.192 11.319 8.016
110 HD1 HIS 15 HD1 HIS 15 51.668 11.830 4.287
111 HD2 HIS 15 HD2 HIS 15 51.616 8.713 7.109
112 HE1 HIS 15 HE1 HIS 15 51.506 9.632 2.992
113 H ALA 16 HN ALA 16 48.307 11.422 6.099
114 HA ALA 16 HA ALA 16 48.020 13.884 4.494
115 HB1 ALA 16 HB1 ALA 16 49.750 12.761 3.215
116 HB2 ALA 16 HB2 ALA 16 48.208 12.652 2.333
117 HB3 ALA 16 HB3 ALA 16 48.824 11.242 3.228
118 H GLY 17 HN GLY 17 46.292 12.844 6.354
119 HA2 GLY 17 HA1 GLY 17 43.941 12.388 4.689
120 HA3 GLY 17 HA2 GLY 17 44.408 10.954 5.626
121 H LYS 18 HN LYS 18 45.552 13.120 7.610
122 HA LYS 18 HA LYS 18 42.994 14.106 8.776
123 HB2 LYS 18 HB2 LYS 18 44.895 12.284 10.311
124 HB3 LYS 18 HB1 LYS 18 43.436 13.074 10.953
125 HG2 LYS 18 HG2 LYS 18 42.120 11.855 9.129
126 HG3 LYS 18 HG1 LYS 18 43.597 10.913 8.815
127 HD2 LYS 18 HD2 LYS 18 43.622 10.095 11.120
128 HD3 LYS 18 HD1 LYS 18 42.225 11.120 11.530
129 HE2 LYS 18 HE2 LYS 18 41.716 8.651 11.008
130 HE3 LYS 18 HE1 LYS 18 40.757 9.862 10.123
131 HZ1 LYS 18 HZ1 LYS 18 43.239 8.597 9.071
132 HZ2 LYS 18 HZ2 LYS 18 42.170 9.615 8.229
133 HZ3 LYS 18 HZ3 LYS 18 41.670 8.063 8.706
134 H ALA 19 HN ALA 19 46.540 13.781 8.961
135 HA ALA 19 HA ALA 19 46.870 16.017 10.777
136 HB1 ALA 19 HB1 ALA 19 48.836 14.762 8.830
137 HB2 ALA 19 HB2 ALA 19 48.556 14.235 10.507
138 HB3 ALA 19 HB3 ALA 19 49.244 15.843 10.181
139 H ALA 20 HN ALA 20 46.206 15.720 7.410
140 HA ALA 20 HA ALA 20 46.040 18.591 7.099
141 HB1 ALA 20 HB1 ALA 20 47.830 18.988 5.563
142 HB2 ALA 20 HB2 ALA 20 48.250 17.258 5.506
143 HB3 ALA 20 HB3 ALA 20 48.542 18.199 6.990
144 H LEU 21 HN LEU 21 44.881 15.727 6.573
145 HA LEU 21 HA LEU 21 43.441 14.807 5.012
146 HB2 LEU 21 HB2 LEU 21 43.399 17.506 3.622
147 HB3 LEU 21 HB1 LEU 21 42.124 16.268 3.670
148 HG LEU 21 HG LEU 21 43.118 17.962 6.004
149 HD11 LEU 21 HD11 LEU 21 40.427 17.779 4.578
150 HD12 LEU 21 HD12 LEU 21 41.601 19.108 4.416
151 HD13 LEU 21 HD13 LEU 21 40.793 18.817 5.976
152 HD21 LEU 21 HD21 LEU 21 41.126 16.775 7.177
153 HD22 LEU 21 HD22 LEU 21 42.616 15.832 6.961
154 HD23 LEU 21 HD23 LEU 21 41.234 15.571 5.870
155 H THR 22 HN THR 22 45.008 17.205 2.850
156 HA THR 22 HA THR 22 46.460 14.972 1.481
157 HB THR 22 HB THR 22 44.409 15.153 0.177
158 HG1 THR 22 HG1 THR 22 45.609 15.140 -1.530
159 HG21 THR 22 HG21 THR 22 43.621 17.280 -0.729
160 HG22 THR 22 HG22 THR 22 45.009 18.135 -0.012
161 HG23 THR 22 HG23 THR 22 43.764 17.418 1.039
162 H HIS 23 HN HIS 23 47.177 17.249 3.254
163 HA HIS 23 HA HIS 23 48.785 18.917 3.345
164 HB2 HIS 23 HB2 HIS 23 50.155 17.034 2.419
165 HB3 HIS 23 HB1 HIS 23 49.810 17.640 0.781
166 HD1 HIS 23 HD1 HIS 23 51.167 19.045 4.104
167 HD2 HIS 23 HD2 HIS 23 51.635 19.539 -0.045
168 HE1 HIS 23 HE1 HIS 23 53.061 20.720 3.745
169 H TYR 24 HN TYR 24 47.792 20.845 3.066
170 HA TYR 24 HA TYR 24 46.534 21.782 0.724
171 HB2 TYR 24 HB2 TYR 24 48.054 23.392 2.815
172 HB3 TYR 24 HB1 TYR 24 46.868 24.047 1.661
173 HD1 TYR 24 HD1 TYR 24 47.352 21.985 4.693
174 HD2 TYR 24 HD2 TYR 24 44.473 23.522 1.870
175 HE1 TYR 24 HE1 TYR 24 45.502 21.371 6.245
176 HE2 TYR 24 HE2 TYR 24 42.623 22.907 3.422
177 HH TYR 24 HH TYR 24 42.337 22.461 5.909
178 H LEU 25 HN LEU 25 49.761 22.865 1.879
179 HA LEU 25 HA LEU 25 50.978 22.463 -0.725
180 HB2 LEU 25 HB2 LEU 25 49.437 24.620 -0.866
181 HB3 LEU 25 HB1 LEU 25 50.764 25.396 0.022
182 HG LEU 25 HG LEU 25 50.951 23.956 -2.666
183 HD11 LEU 25 HD11 LEU 25 51.469 26.156 -3.550
184 HD12 LEU 25 HD12 LEU 25 51.513 26.857 -1.915
185 HD13 LEU 25 HD13 LEU 25 49.970 26.291 -2.600
186 HD21 LEU 25 HD21 LEU 25 53.081 25.088 -0.803
187 HD22 LEU 25 HD22 LEU 25 53.364 24.893 -2.550
188 HD23 LEU 25 HD23 LEU 25 53.008 23.471 -1.545
Start of MODEL 31
1 H1 GLY 1 HT1 GLY 1 55.311 -8.307 -13.258
2 H2 GLY 1 HT2 GLY 1 55.600 -6.633 -13.265
3 H3 GLY 1 HT3 GLY 1 54.504 -7.305 -12.155
4 HA2 GLY 1 HA1 GLY 1 56.051 -7.750 -10.714
5 HA3 GLY 1 HA2 GLY 1 57.027 -8.543 -11.967
6 H TRP 2 HN TRP 2 58.714 -7.491 -12.908
7 HA TRP 2 HA TRP 2 59.953 -5.380 -11.489
8 HB2 TRP 2 HB2 TRP 2 60.287 -6.190 -14.405
9 HB3 TRP 2 HB1 TRP 2 61.411 -5.158 -13.489
10 HD1 TRP 2 HD1 TRP 2 60.191 -8.760 -13.798
11 HE1 TRP 2 HE1 TRP 2 61.791 -10.345 -12.497
12 HE3 TRP 2 HE3 TRP 2 63.098 -5.244 -11.475
13 HZ2 TRP 2 HZ2 TRP 2 64.023 -10.087 -10.696
14 HZ3 TRP 2 HZ3 TRP 2 64.956 -5.936 -9.971
15 HH2 TRP 2 HH2 TRP 2 65.421 -8.352 -9.579
16 H GLY 3 HN GLY 3 57.254 -5.281 -13.567
17 HA2 GLY 3 HA1 GLY 3 57.695 -2.601 -14.631
18 HA3 GLY 3 HA2 GLY 3 56.193 -3.543 -14.694
19 H SER 4 HN SER 4 56.145 -4.002 -11.785
20 HA SER 4 HA SER 4 54.595 -1.696 -11.058
21 HB2 SER 4 HB2 SER 4 54.365 -2.750 -8.914
22 HB3 SER 4 HB1 SER 4 54.389 -4.050 -10.126
23 HG SER 4 HG SER 4 56.796 -3.961 -9.656
24 H PHE 5 HN PHE 5 55.578 -1.526 -8.279
25 HA PHE 5 HA PHE 5 58.256 -0.307 -8.473
26 HB2 PHE 5 HB2 PHE 5 55.817 1.420 -7.873
27 HB3 PHE 5 HB1 PHE 5 57.518 1.935 -7.772
28 HD1 PHE 5 HD1 PHE 5 58.941 1.974 -9.853
29 HD2 PHE 5 HD2 PHE 5 54.681 1.296 -9.996
30 HE1 PHE 5 HE1 PHE 5 58.937 2.510 -12.287
31 HE2 PHE 5 HE2 PHE 5 54.677 1.831 -12.429
32 HZ PHE 5 HZ PHE 5 56.814 2.384 -13.585
33 H PHE 6 HN PHE 6 59.181 0.125 -6.445
34 HA PHE 6 HA PHE 6 58.244 -1.574 -4.328
35 HB2 PHE 6 HB2 PHE 6 60.624 -0.883 -4.674
36 HB3 PHE 6 HB1 PHE 6 60.188 0.760 -4.146
37 HD1 PHE 6 HD1 PHE 6 59.527 1.212 -1.814
38 HD2 PHE 6 HD2 PHE 6 60.680 -2.746 -3.091
39 HE1 PHE 6 HE1 PHE 6 59.761 0.511 0.566
40 HE2 PHE 6 HE2 PHE 6 60.913 -3.446 -0.712
41 HZ PHE 6 HZ PHE 6 60.356 -1.846 1.115
42 H LYS 7 HN LYS 7 58.161 1.981 -4.786
43 HA LYS 7 HA LYS 7 56.917 2.561 -2.273
44 HB2 LYS 7 HB2 LYS 7 56.807 4.051 -4.925
45 HB3 LYS 7 HB1 LYS 7 56.274 4.711 -3.360
46 HG2 LYS 7 HG2 LYS 7 58.577 4.295 -2.451
47 HG3 LYS 7 HG1 LYS 7 59.088 3.780 -4.078
48 HD2 LYS 7 HD2 LYS 7 58.377 6.012 -4.967
49 HD3 LYS 7 HD1 LYS 7 57.994 6.520 -3.305
50 HE2 LYS 7 HE2 LYS 7 60.225 7.319 -3.823
51 HE3 LYS 7 HE1 LYS 7 60.385 5.970 -2.672
52 HZ1 LYS 7 HZ1 LYS 7 61.288 6.173 -5.390
53 HZ2 LYS 7 HZ2 LYS 7 60.389 4.758 -5.114
54 HZ3 LYS 7 HZ3 LYS 7 61.760 5.094 -4.170
55 H LYS 8 HN LYS 8 54.699 3.483 -2.020
56 HA LYS 8 HA LYS 8 52.619 2.708 -3.876
57 HB2 LYS 8 HB2 LYS 8 53.241 0.454 -2.974
58 HB3 LYS 8 HB1 LYS 8 52.824 1.033 -1.343
59 HG2 LYS 8 HG2 LYS 8 50.521 1.431 -2.002
60 HG3 LYS 8 HG1 LYS 8 50.899 1.082 -3.706
61 HD2 LYS 8 HD2 LYS 8 51.545 -1.245 -3.054
62 HD3 LYS 8 HD1 LYS 8 51.059 -0.885 -1.380
63 HE2 LYS 8 HE2 LYS 8 49.248 -2.043 -2.646
64 HE3 LYS 8 HE1 LYS 8 48.759 -0.413 -2.121
65 HZ1 LYS 8 HZ1 LYS 8 48.614 -1.354 -4.658
66 HZ2 LYS 8 HZ2 LYS 8 50.063 -0.466 -4.694
67 HZ3 LYS 8 HZ3 LYS 8 48.614 0.285 -4.223
68 H ALA 9 HN ALA 9 53.724 3.718 -0.701
69 HA ALA 9 HA ALA 9 51.128 4.588 0.258
70 HB1 ALA 9 HB1 ALA 9 52.388 5.707 2.007
71 HB2 ALA 9 HB2 ALA 9 53.893 5.546 1.072
72 HB3 ALA 9 HB3 ALA 9 53.088 4.097 1.721
73 H ALA 10 HN ALA 10 50.310 6.708 0.449
74 HA ALA 10 HA ALA 10 51.659 8.940 -0.856
75 HB1 ALA 10 HB1 ALA 10 49.210 7.762 -2.215
76 HB2 ALA 10 HB2 ALA 10 50.875 7.684 -2.840
77 HB3 ALA 10 HB3 ALA 10 50.058 9.257 -2.676
78 H HIS 11 HN HIS 11 49.662 10.652 -1.364
79 HA HIS 11 HA HIS 11 48.852 11.547 1.181
80 HB2 HIS 11 HB2 HIS 11 47.340 12.043 -1.410
81 HB3 HIS 11 HB1 HIS 11 47.414 13.095 0.024
82 HD1 HIS 11 HD1 HIS 11 48.648 13.179 -3.210
83 HD2 HIS 11 HD2 HIS 11 50.625 13.286 0.500
84 HE1 HIS 11 HE1 HIS 11 50.921 14.282 -3.590
85 H ALA 12 HN ALA 12 47.794 10.249 2.574
86 HA ALA 12 HA ALA 12 45.635 8.481 1.684
87 HB1 ALA 12 HB1 ALA 12 46.583 9.303 4.451
88 HB2 ALA 12 HB2 ALA 12 47.062 7.842 3.553
89 HB3 ALA 12 HB3 ALA 12 45.383 8.033 4.115
90 H GLY 13 HN GLY 13 45.845 11.428 3.731
91 HA2 GLY 13 HA1 GLY 13 43.035 11.688 4.133
92 HA3 GLY 13 HA2 GLY 13 44.229 12.995 4.261
93 H LYS 14 HN LYS 14 44.959 14.002 2.210
94 HA LYS 14 HA LYS 14 43.313 13.658 -0.164
95 HB2 LYS 14 HB2 LYS 14 41.772 14.905 1.454
96 HB3 LYS 14 HB1 LYS 14 42.912 16.267 1.349
97 HG2 LYS 14 HG2 LYS 14 42.591 16.407 -1.075
98 HG3 LYS 14 HG1 LYS 14 41.552 14.962 -1.051
99 HD2 LYS 14 HD2 LYS 14 39.891 16.119 0.313
100 HD3 LYS 14 HD1 LYS 14 40.952 17.541 0.458
101 HE2 LYS 14 HE2 LYS 14 40.880 17.796 -2.037
102 HE3 LYS 14 HE1 LYS 14 39.718 16.450 -2.109
103 HZ1 LYS 14 HZ1 LYS 14 38.681 18.689 -2.076
104 HZ2 LYS 14 HZ2 LYS 14 39.305 18.929 -0.513
105 HZ3 LYS 14 HZ3 LYS 14 38.176 17.692 -0.800
106 H HIS 15 HN HIS 15 45.874 14.987 1.671
107 HA HIS 15 HA HIS 15 47.280 15.763 -0.796
108 HB2 HIS 15 HB2 HIS 15 46.622 17.830 1.341
109 HB3 HIS 15 HB1 HIS 15 47.801 18.062 0.026
110 HD1 HIS 15 HD1 HIS 15 46.815 17.875 -2.488
111 HD2 HIS 15 HD2 HIS 15 44.006 18.385 0.598
112 HE1 HIS 15 HE1 HIS 15 44.612 18.579 -3.573
113 H ALA 16 HN ALA 16 47.090 15.225 2.644
114 HA ALA 16 HA ALA 16 49.715 14.061 2.736
115 HB1 ALA 16 HB1 ALA 16 50.745 15.754 4.290
116 HB2 ALA 16 HB2 ALA 16 49.428 16.870 3.854
117 HB3 ALA 16 HB3 ALA 16 50.572 16.312 2.610
118 H GLY 17 HN GLY 17 46.837 15.363 4.169
119 HA2 GLY 17 HA1 GLY 17 45.574 14.514 5.929
120 HA3 GLY 17 HA2 GLY 17 46.748 13.196 6.105
121 H LYS 18 HN LYS 18 49.076 14.806 6.506
122 HA LYS 18 HA LYS 18 48.703 15.372 9.360
123 HB2 LYS 18 HB2 LYS 18 51.085 15.601 7.482
124 HB3 LYS 18 HB1 LYS 18 51.157 15.954 9.226
125 HG2 LYS 18 HG2 LYS 18 50.509 13.687 9.784
126 HG3 LYS 18 HG1 LYS 18 50.172 13.309 8.076
127 HD2 LYS 18 HD2 LYS 18 52.561 13.673 7.522
128 HD3 LYS 18 HD1 LYS 18 52.899 14.045 9.230
129 HE2 LYS 18 HE2 LYS 18 52.326 11.810 9.921
130 HE3 LYS 18 HE1 LYS 18 51.652 11.420 8.320
131 HZ1 LYS 18 HZ1 LYS 18 54.495 11.888 9.041
132 HZ2 LYS 18 HZ2 LYS 18 53.948 11.881 7.433
133 HZ3 LYS 18 HZ3 LYS 18 53.799 10.485 8.391
134 H ALA 19 HN ALA 19 48.056 17.108 6.595
135 HA ALA 19 HA ALA 19 47.825 19.598 8.090
136 HB1 ALA 19 HB1 ALA 19 50.285 19.511 7.487
137 HB2 ALA 19 HB2 ALA 19 49.402 20.934 6.884
138 HB3 ALA 19 HB3 ALA 19 49.790 19.591 5.780
139 H ALA 20 HN ALA 20 45.794 18.320 7.047
140 HA ALA 20 HA ALA 20 44.828 20.143 5.007
141 HB1 ALA 20 HB1 ALA 20 45.294 17.255 4.183
142 HB2 ALA 20 HB2 ALA 20 46.203 18.664 3.584
143 HB3 ALA 20 HB3 ALA 20 44.466 18.503 3.222
144 H LEU 21 HN LEU 21 44.144 16.666 5.520
145 HA LEU 21 HA LEU 21 41.320 17.164 5.853
146 HB2 LEU 21 HB2 LEU 21 42.441 15.013 5.044
147 HB3 LEU 21 HB1 LEU 21 42.865 14.703 6.742
148 HG LEU 21 HG LEU 21 40.274 15.103 7.186
149 HD11 LEU 21 HD11 LEU 21 40.338 14.405 4.212
150 HD12 LEU 21 HD12 LEU 21 39.622 15.853 4.957
151 HD13 LEU 21 HD13 LEU 21 38.900 14.256 5.245
152 HD21 LEU 21 HD21 LEU 21 41.341 12.602 5.797
153 HD22 LEU 21 HD22 LEU 21 39.842 12.683 6.755
154 HD23 LEU 21 HD23 LEU 21 41.416 12.952 7.541
155 H THR 22 HN THR 22 40.210 17.801 7.577
156 HA THR 22 HA THR 22 39.816 18.487 9.763
157 HB THR 22 HB THR 22 40.385 16.750 11.533
158 HG1 THR 22 HG1 THR 22 41.042 14.929 9.579
159 HG21 THR 22 HG21 THR 22 38.926 14.959 10.437
160 HG22 THR 22 HG22 THR 22 38.957 15.960 8.965
161 HG23 THR 22 HG23 THR 22 38.241 16.602 10.464
162 H HIS 23 HN HIS 23 42.383 19.303 8.485
163 HA HIS 23 HA HIS 23 43.609 20.413 10.909
164 HB2 HIS 23 HB2 HIS 23 45.087 18.372 9.204
165 HB3 HIS 23 HB1 HIS 23 45.922 19.542 10.253
166 HD1 HIS 23 HD1 HIS 23 45.087 19.502 12.880
167 HD2 HIS 23 HD2 HIS 23 44.255 16.097 10.552
168 HE1 HIS 23 HE1 HIS 23 44.588 17.582 14.491
169 H TYR 24 HN TYR 24 42.459 22.025 9.342
170 HA TYR 24 HA TYR 24 43.791 22.749 6.902
171 HB2 TYR 24 HB2 TYR 24 41.481 23.457 7.527
172 HB3 TYR 24 HB1 TYR 24 42.172 24.516 8.779
173 HD1 TYR 24 HD1 TYR 24 41.695 23.996 5.156
174 HD2 TYR 24 HD2 TYR 24 43.525 26.493 8.163
175 HE1 TYR 24 HE1 TYR 24 42.084 25.767 3.448
176 HE2 TYR 24 HE2 TYR 24 43.914 28.264 6.456
177 HH TYR 24 HH TYR 24 42.799 28.783 3.899
178 H LEU 25 HN LEU 25 43.728 24.613 9.978
179 HA LEU 25 HA LEU 25 45.307 26.080 10.849
180 HB2 LEU 25 HB2 LEU 25 46.982 23.742 9.875
181 HB3 LEU 25 HB1 LEU 25 47.749 25.144 10.657
182 HG LEU 25 HG LEU 25 46.399 24.828 12.668
183 HD11 LEU 25 HD11 LEU 25 44.295 24.066 11.816
184 HD12 LEU 25 HD12 LEU 25 44.934 22.709 12.773
185 HD13 LEU 25 HD13 LEU 25 45.043 22.675 10.995
186 HD21 LEU 25 HD21 LEU 25 47.534 22.165 11.695
187 HD22 LEU 25 HD22 LEU 25 47.277 22.642 13.391
188 HD23 LEU 25 HD23 LEU 25 48.489 23.490 12.402
Start of MODEL 32
1 H1 GLY 1 HT1 GLY 1 62.052 2.322 -10.209
2 H2 GLY 1 HT2 GLY 1 63.125 1.773 -11.406
3 H3 GLY 1 HT3 GLY 1 63.431 1.442 -9.768
4 HA2 GLY 1 HA1 GLY 1 62.058 -0.259 -9.679
5 HA3 GLY 1 HA2 GLY 1 60.880 0.553 -10.729
6 H TRP 2 HN TRP 2 62.830 -2.066 -10.507
7 HA TRP 2 HA TRP 2 64.134 -2.193 -13.043
8 HB2 TRP 2 HB2 TRP 2 64.509 -3.761 -11.124
9 HB3 TRP 2 HB1 TRP 2 62.922 -4.493 -11.460
10 HD1 TRP 2 HD1 TRP 2 62.639 -5.801 -13.784
11 HE1 TRP 2 HE1 TRP 2 64.359 -6.964 -15.351
12 HE3 TRP 2 HE3 TRP 2 66.931 -3.648 -12.011
13 HZ2 TRP 2 HZ2 TRP 2 67.209 -6.940 -15.754
14 HZ3 TRP 2 HZ3 TRP 2 69.139 -4.232 -13.001
15 HH2 TRP 2 HH2 TRP 2 69.282 -5.874 -14.869
16 H GLY 3 HN GLY 3 60.905 -3.352 -11.998
17 HA2 GLY 3 HA1 GLY 3 59.673 -2.720 -14.497
18 HA3 GLY 3 HA2 GLY 3 60.116 -4.439 -14.494
19 H SER 4 HN SER 4 58.767 -2.099 -12.121
20 HA SER 4 HA SER 4 56.280 -3.667 -11.932
21 HB2 SER 4 HB2 SER 4 58.039 -3.429 -9.464
22 HB3 SER 4 HB1 SER 4 56.491 -4.289 -9.617
23 HG SER 4 HG SER 4 57.475 -5.877 -10.657
24 H PHE 5 HN PHE 5 54.920 -2.731 -10.023
25 HA PHE 5 HA PHE 5 55.521 0.087 -9.394
26 HB2 PHE 5 HB2 PHE 5 53.377 0.900 -10.428
27 HB3 PHE 5 HB1 PHE 5 54.606 0.402 -11.614
28 HD1 PHE 5 HD1 PHE 5 54.477 -1.986 -12.572
29 HD2 PHE 5 HD2 PHE 5 51.230 -0.144 -10.405
30 HE1 PHE 5 HE1 PHE 5 52.890 -3.641 -13.542
31 HE2 PHE 5 HE2 PHE 5 49.644 -1.800 -11.377
32 HZ PHE 5 HZ PHE 5 50.478 -3.564 -12.925
33 H PHE 6 HN PHE 6 55.345 -0.443 -7.245
34 HA PHE 6 HA PHE 6 52.992 -1.895 -6.251
35 HB2 PHE 6 HB2 PHE 6 55.196 -0.382 -4.791
36 HB3 PHE 6 HB1 PHE 6 53.980 -1.433 -4.027
37 HD1 PHE 6 HD1 PHE 6 54.055 -3.863 -4.291
38 HD2 PHE 6 HD2 PHE 6 56.965 -1.329 -6.225
39 HE1 PHE 6 HE1 PHE 6 55.470 -5.857 -4.775
40 HE2 PHE 6 HE2 PHE 6 58.379 -3.323 -6.709
41 HZ PHE 6 HZ PHE 6 57.629 -5.586 -5.990
42 H LYS 7 HN LYS 7 51.981 0.162 -7.685
43 HA LYS 7 HA LYS 7 50.600 2.023 -7.543
44 HB2 LYS 7 HB2 LYS 7 50.314 1.084 -4.660
45 HB3 LYS 7 HB1 LYS 7 49.209 2.187 -5.517
46 HG2 LYS 7 HG2 LYS 7 48.730 0.415 -7.183
47 HG3 LYS 7 HG1 LYS 7 49.830 -0.691 -6.323
48 HD2 LYS 7 HD2 LYS 7 48.419 -0.467 -4.277
49 HD3 LYS 7 HD1 LYS 7 47.296 0.574 -5.186
50 HE2 LYS 7 HE2 LYS 7 48.035 -2.257 -6.036
51 HE3 LYS 7 HE1 LYS 7 46.598 -1.862 -5.064
52 HZ1 LYS 7 HZ1 LYS 7 46.768 -0.142 -7.309
53 HZ2 LYS 7 HZ2 LYS 7 45.535 -1.232 -6.887
54 HZ3 LYS 7 HZ3 LYS 7 46.851 -1.756 -7.825
55 H LYS 8 HN LYS 8 50.109 4.092 -6.184
56 HA LYS 8 HA LYS 8 52.641 5.462 -5.888
57 HB2 LYS 8 HB2 LYS 8 49.824 6.302 -5.094
58 HB3 LYS 8 HB1 LYS 8 51.239 7.380 -5.179
59 HG2 LYS 8 HG2 LYS 8 51.494 6.616 -7.622
60 HG3 LYS 8 HG1 LYS 8 49.878 5.890 -7.458
61 HD2 LYS 8 HD2 LYS 8 50.562 8.826 -6.984
62 HD3 LYS 8 HD1 LYS 8 49.744 8.172 -8.421
63 HE2 LYS 8 HE2 LYS 8 48.005 7.196 -6.739
64 HE3 LYS 8 HE1 LYS 8 48.717 8.335 -5.569
65 HZ1 LYS 8 HZ1 LYS 8 48.344 10.093 -7.309
66 HZ2 LYS 8 HZ2 LYS 8 46.937 9.452 -6.602
67 HZ3 LYS 8 HZ3 LYS 8 47.408 8.963 -8.159
68 H ALA 9 HN ALA 9 50.060 5.593 -3.434
69 HA ALA 9 HA ALA 9 51.587 4.264 -1.376
70 HB1 ALA 9 HB1 ALA 9 52.161 6.234 -0.013
71 HB2 ALA 9 HB2 ALA 9 51.591 7.303 -1.319
72 HB3 ALA 9 HB3 ALA 9 53.011 6.261 -1.576
73 H ALA 10 HN ALA 10 50.502 4.241 0.662
74 HA ALA 10 HA ALA 10 47.686 4.158 0.482
75 HB1 ALA 10 HB1 ALA 10 47.751 4.164 2.989
76 HB2 ALA 10 HB2 ALA 10 49.490 4.537 2.896
77 HB3 ALA 10 HB3 ALA 10 48.871 3.000 2.242
78 H HIS 11 HN HIS 11 46.352 5.465 2.296
79 HA HIS 11 HA HIS 11 47.031 8.267 2.565
80 HB2 HIS 11 HB2 HIS 11 45.228 9.160 1.086
81 HB3 HIS 11 HB1 HIS 11 46.531 8.356 0.178
82 HD1 HIS 11 HD1 HIS 11 45.225 5.455 1.328
83 HD2 HIS 11 HD2 HIS 11 43.451 8.392 -1.102
84 HE1 HIS 11 HE1 HIS 11 43.361 4.321 0.001
85 H ALA 12 HN ALA 12 46.389 8.189 4.657
86 HA ALA 12 HA ALA 12 43.541 8.332 5.179
87 HB1 ALA 12 HB1 ALA 12 43.920 5.838 4.947
88 HB2 ALA 12 HB2 ALA 12 43.245 6.363 6.509
89 HB3 ALA 12 HB3 ALA 12 44.969 5.942 6.380
90 H GLY 13 HN GLY 13 43.485 9.940 6.594
91 HA2 GLY 13 HA1 GLY 13 43.956 11.180 8.490
92 HA3 GLY 13 HA2 GLY 13 44.771 9.750 9.154
93 H LYS 14 HN LYS 14 45.554 11.497 6.153
94 HA LYS 14 HA LYS 14 47.760 12.969 7.332
95 HB2 LYS 14 HB2 LYS 14 48.744 10.703 7.432
96 HB3 LYS 14 HB1 LYS 14 48.447 10.497 5.690
97 HG2 LYS 14 HG2 LYS 14 49.966 12.292 5.135
98 HG3 LYS 14 HG1 LYS 14 50.112 12.772 6.843
99 HD2 LYS 14 HD2 LYS 14 51.152 10.580 7.369
100 HD3 LYS 14 HD1 LYS 14 51.021 10.113 5.656
101 HE2 LYS 14 HE2 LYS 14 52.384 12.202 5.101
102 HE3 LYS 14 HE1 LYS 14 52.688 12.364 6.848
103 HZ1 LYS 14 HZ1 LYS 14 54.255 10.823 6.700
104 HZ2 LYS 14 HZ2 LYS 14 54.025 10.739 5.018
105 HZ3 LYS 14 HZ3 LYS 14 53.164 9.700 6.050
106 H HIS 15 HN HIS 15 47.583 11.217 4.219
107 HA HIS 15 HA HIS 15 48.158 13.571 2.686
108 HB2 HIS 15 HB2 HIS 15 48.533 11.207 1.934
109 HB3 HIS 15 HB1 HIS 15 46.770 11.029 1.754
110 HD1 HIS 15 HD1 HIS 15 49.449 13.567 0.628
111 HD2 HIS 15 HD2 HIS 15 45.948 11.716 -0.783
112 HE1 HIS 15 HE1 HIS 15 49.096 14.344 -1.780
113 H ALA 16 HN ALA 16 45.339 12.635 4.312
114 HA ALA 16 HA ALA 16 43.848 14.856 3.158
115 HB1 ALA 16 HB1 ALA 16 43.487 13.203 1.379
116 HB2 ALA 16 HB2 ALA 16 41.977 13.520 2.267
117 HB3 ALA 16 HB3 ALA 16 42.898 12.029 2.578
118 H GLY 17 HN GLY 17 44.631 14.500 5.715
119 HA2 GLY 17 HA1 GLY 17 42.643 13.077 7.292
120 HA3 GLY 17 HA2 GLY 17 43.881 14.195 7.895
121 H LYS 18 HN LYS 18 42.105 15.571 5.360
122 HA LYS 18 HA LYS 18 40.588 17.328 5.348
123 HB2 LYS 18 HB2 LYS 18 39.278 15.998 7.744
124 HB3 LYS 18 HB1 LYS 18 38.515 16.964 6.458
125 HG2 LYS 18 HG2 LYS 18 39.809 14.220 6.136
126 HG3 LYS 18 HG1 LYS 18 38.068 14.580 6.081
127 HD2 LYS 18 HD2 LYS 18 38.657 16.209 4.139
128 HD3 LYS 18 HD1 LYS 18 40.227 15.370 4.089
129 HE2 LYS 18 HE2 LYS 18 38.801 14.262 2.497
130 HE3 LYS 18 HE1 LYS 18 38.926 13.184 3.907
131 HZ1 LYS 18 HZ1 LYS 18 36.670 14.924 3.100
132 HZ2 LYS 18 HZ2 LYS 18 36.828 14.380 4.702
133 HZ3 LYS 18 HZ3 LYS 18 36.662 13.261 3.434
134 H ALA 19 HN ALA 19 42.907 17.075 7.510
135 HA ALA 19 HA ALA 19 42.591 19.774 8.479
136 HB1 ALA 19 HB1 ALA 19 40.964 18.762 9.993
137 HB2 ALA 19 HB2 ALA 19 42.418 19.250 10.897
138 HB3 ALA 19 HB3 ALA 19 42.157 17.537 10.489
139 H ALA 20 HN ALA 20 44.229 16.859 7.975
140 HA ALA 20 HA ALA 20 46.534 17.386 9.689
141 HB1 ALA 20 HB1 ALA 20 46.040 15.113 9.050
142 HB2 ALA 20 HB2 ALA 20 47.586 15.578 8.299
143 HB3 ALA 20 HB3 ALA 20 46.097 15.536 7.323
144 H LEU 21 HN LEU 21 46.619 16.950 6.147
145 HA LEU 21 HA LEU 21 48.836 18.837 5.937
146 HB2 LEU 21 HB2 LEU 21 48.468 16.743 4.516
147 HB3 LEU 21 HB1 LEU 21 47.183 17.644 3.684
148 HG LEU 21 HG LEU 21 49.055 19.506 3.369
149 HD11 LEU 21 HD11 LEU 21 51.321 18.437 3.051
150 HD12 LEU 21 HD12 LEU 21 50.702 16.977 3.855
151 HD13 LEU 21 HD13 LEU 21 50.808 18.511 4.750
152 HD21 LEU 21 HD21 LEU 21 48.020 18.272 1.512
153 HD22 LEU 21 HD22 LEU 21 49.068 16.869 1.830
154 HD23 LEU 21 HD23 LEU 21 49.776 18.396 1.250
155 H THR 22 HN THR 22 45.356 18.848 5.225
156 HA THR 22 HA THR 22 45.148 21.158 3.661
157 HB THR 22 HB THR 22 42.901 21.501 4.760
158 HG1 THR 22 HG1 THR 22 42.988 19.177 6.141
159 HG21 THR 22 HG21 THR 22 43.086 19.975 2.875
160 HG22 THR 22 HG22 THR 22 42.017 19.237 4.092
161 HG23 THR 22 HG23 THR 22 43.701 18.681 3.932
162 H HIS 23 HN HIS 23 45.478 20.904 7.210
163 HA HIS 23 HA HIS 23 45.113 23.674 7.782
164 HB2 HIS 23 HB2 HIS 23 45.185 21.790 9.457
165 HB3 HIS 23 HB1 HIS 23 46.952 21.741 9.246
166 HD1 HIS 23 HD1 HIS 23 47.835 24.582 9.242
167 HD2 HIS 23 HD2 HIS 23 44.776 23.217 11.785
168 HE1 HIS 23 HE1 HIS 23 47.645 26.250 11.168
169 H TYR 24 HN TYR 24 48.275 21.997 8.004
170 HA TYR 24 HA TYR 24 49.808 24.374 7.765
171 HB2 TYR 24 HB2 TYR 24 50.514 21.501 7.048
172 HB3 TYR 24 HB1 TYR 24 51.691 22.830 7.177
173 HD1 TYR 24 HD1 TYR 24 52.221 23.851 9.347
174 HD2 TYR 24 HD2 TYR 24 49.387 20.611 9.037
175 HE1 TYR 24 HE1 TYR 24 52.329 23.520 11.815
176 HE2 TYR 24 HE2 TYR 24 49.495 20.279 11.504
177 HH TYR 24 HH TYR 24 50.570 20.822 13.376
178 H LEU 25 HN LEU 25 51.412 24.806 5.969
179 HA LEU 25 HA LEU 25 49.894 25.217 3.509
180 HB2 LEU 25 HB2 LEU 25 52.883 25.631 3.833
181 HB3 LEU 25 HB1 LEU 25 51.740 26.517 2.794
182 HG LEU 25 HG LEU 25 51.861 26.586 5.842
183 HD11 LEU 25 HD11 LEU 25 53.619 27.901 4.722
184 HD12 LEU 25 HD12 LEU 25 52.408 28.985 5.447
185 HD13 LEU 25 HD13 LEU 25 52.398 28.685 3.692
186 HD21 LEU 25 HD21 LEU 25 49.540 26.760 5.260
187 HD22 LEU 25 HD22 LEU 25 49.894 27.768 3.836
188 HD23 LEU 25 HD23 LEU 25 50.095 28.435 5.474
Start of MODEL 33
1 H1 GLY 1 HT1 GLY 1 64.432 -1.616 -9.205
2 H2 GLY 1 HT2 GLY 1 65.549 -1.372 -10.462
3 H3 GLY 1 HT3 GLY 1 64.810 -2.889 -10.258
4 HA2 GLY 1 HA1 GLY 1 62.772 -1.067 -10.465
5 HA3 GLY 1 HA2 GLY 1 63.956 -0.662 -11.725
6 H TRP 2 HN TRP 2 62.367 -3.524 -10.249
7 HA TRP 2 HA TRP 2 62.663 -5.074 -12.713
8 HB2 TRP 2 HB2 TRP 2 62.588 -6.047 -10.378
9 HB3 TRP 2 HB1 TRP 2 60.858 -5.634 -10.328
10 HD1 TRP 2 HD1 TRP 2 63.333 -7.698 -12.471
11 HE1 TRP 2 HE1 TRP 2 62.067 -9.710 -13.527
12 HE3 TRP 2 HE3 TRP 2 58.600 -6.617 -10.847
13 HZ2 TRP 2 HZ2 TRP 2 59.362 -10.688 -13.634
14 HZ3 TRP 2 HZ3 TRP 2 56.692 -8.103 -11.438
15 HH2 TRP 2 HH2 TRP 2 57.067 -10.135 -12.830
16 H GLY 3 HN GLY 3 60.900 -2.430 -12.201
17 HA2 GLY 3 HA1 GLY 3 58.979 -3.113 -14.279
18 HA3 GLY 3 HA2 GLY 3 58.218 -2.940 -12.684
19 H SER 4 HN SER 4 58.613 -0.904 -11.497
20 HA SER 4 HA SER 4 59.689 1.399 -12.841
21 HB2 SER 4 HB2 SER 4 57.467 2.572 -13.214
22 HB3 SER 4 HB1 SER 4 57.831 1.261 -14.358
23 HG SER 4 HG SER 4 55.663 1.400 -13.159
24 H PHE 5 HN PHE 5 56.576 1.796 -11.326
25 HA PHE 5 HA PHE 5 57.494 1.842 -8.589
26 HB2 PHE 5 HB2 PHE 5 58.710 3.855 -9.541
27 HB3 PHE 5 HB1 PHE 5 57.115 4.582 -9.852
28 HD1 PHE 5 HD1 PHE 5 55.681 5.328 -8.016
29 HD2 PHE 5 HD2 PHE 5 59.495 3.466 -7.235
30 HE1 PHE 5 HE1 PHE 5 55.565 6.085 -5.647
31 HE2 PHE 5 HE2 PHE 5 59.379 4.224 -4.864
32 HZ PHE 5 HZ PHE 5 57.395 5.499 -4.060
33 H PHE 6 HN PHE 6 55.562 0.705 -8.302
34 HA PHE 6 HA PHE 6 53.015 1.812 -9.165
35 HB2 PHE 6 HB2 PHE 6 53.616 -0.305 -7.061
36 HB3 PHE 6 HB1 PHE 6 52.038 0.005 -7.824
37 HD1 PHE 6 HD1 PHE 6 55.481 -1.279 -8.361
38 HD2 PHE 6 HD2 PHE 6 51.595 -0.652 -10.131
39 HE1 PHE 6 HE1 PHE 6 56.106 -2.765 -10.261
40 HE2 PHE 6 HE2 PHE 6 52.219 -2.139 -12.031
41 HZ PHE 6 HZ PHE 6 54.499 -3.142 -12.128
42 H LYS 7 HN LYS 7 51.300 2.566 -7.802
43 HA LYS 7 HA LYS 7 52.176 4.564 -5.927
44 HB2 LYS 7 HB2 LYS 7 49.378 3.398 -6.133
45 HB3 LYS 7 HB1 LYS 7 49.847 5.024 -5.585
46 HG2 LYS 7 HG2 LYS 7 50.241 3.926 -8.408
47 HG3 LYS 7 HG1 LYS 7 48.962 5.056 -7.907
48 HD2 LYS 7 HD2 LYS 7 50.913 6.571 -7.059
49 HD3 LYS 7 HD1 LYS 7 51.962 5.533 -8.055
50 HE2 LYS 7 HE2 LYS 7 50.439 6.012 -10.020
51 HE3 LYS 7 HE1 LYS 7 49.591 7.198 -9.000
52 HZ1 LYS 7 HZ1 LYS 7 52.347 7.656 -8.777
53 HZ2 LYS 7 HZ2 LYS 7 51.167 8.661 -9.474
54 HZ3 LYS 7 HZ3 LYS 7 51.988 7.522 -10.430
55 H LYS 8 HN LYS 8 51.015 4.684 -3.689
56 HA LYS 8 HA LYS 8 50.681 2.156 -2.287
57 HB2 LYS 8 HB2 LYS 8 52.646 2.490 -0.752
58 HB3 LYS 8 HB1 LYS 8 53.101 2.055 -2.416
59 HG2 LYS 8 HG2 LYS 8 53.512 4.434 -2.942
60 HG3 LYS 8 HG1 LYS 8 53.032 4.890 -1.290
61 HD2 LYS 8 HD2 LYS 8 54.873 3.347 -0.442
62 HD3 LYS 8 HD1 LYS 8 55.428 3.210 -2.127
63 HE2 LYS 8 HE2 LYS 8 55.257 5.731 -0.431
64 HE3 LYS 8 HE1 LYS 8 56.719 4.977 -1.110
65 HZ1 LYS 8 HZ1 LYS 8 56.394 6.415 -2.777
66 HZ2 LYS 8 HZ2 LYS 8 54.770 6.705 -2.370
67 HZ3 LYS 8 HZ3 LYS 8 55.186 5.342 -3.296
68 H ALA 9 HN ALA 9 50.616 5.547 -2.608
69 HA ALA 9 HA ALA 9 50.128 6.210 0.182
70 HB1 ALA 9 HB1 ALA 9 49.509 8.393 -0.666
71 HB2 ALA 9 HB2 ALA 9 49.343 7.748 -2.317
72 HB3 ALA 9 HB3 ALA 9 50.946 7.821 -1.544
73 H ALA 10 HN ALA 10 48.572 4.460 0.629
74 HA ALA 10 HA ALA 10 45.961 4.522 -0.636
75 HB1 ALA 10 HB1 ALA 10 45.328 3.084 1.347
76 HB2 ALA 10 HB2 ALA 10 46.993 3.293 1.939
77 HB3 ALA 10 HB3 ALA 10 46.696 2.480 0.384
78 H HIS 11 HN HIS 11 46.162 4.685 2.867
79 HA HIS 11 HA HIS 11 44.181 6.883 2.866
80 HB2 HIS 11 HB2 HIS 11 45.501 5.500 5.230
81 HB3 HIS 11 HB1 HIS 11 43.993 6.443 5.227
82 HD1 HIS 11 HD1 HIS 11 45.443 3.296 3.554
83 HD2 HIS 11 HD2 HIS 11 41.744 4.902 4.746
84 HE1 HIS 11 HE1 HIS 11 43.672 1.494 3.168
85 H ALA 12 HN ALA 12 45.357 8.669 2.097
86 HA ALA 12 HA ALA 12 47.899 9.493 3.049
87 HB1 ALA 12 HB1 ALA 12 46.830 10.491 1.092
88 HB2 ALA 12 HB2 ALA 12 47.219 11.752 2.287
89 HB3 ALA 12 HB3 ALA 12 45.545 11.173 2.117
90 H GLY 13 HN GLY 13 48.386 9.588 5.162
91 HA2 GLY 13 HA1 GLY 13 48.343 10.355 7.343
92 HA3 GLY 13 HA2 GLY 13 47.339 11.703 6.770
93 H LYS 14 HN LYS 14 45.768 11.841 8.269
94 HA LYS 14 HA LYS 14 44.486 9.389 9.313
95 HB2 LYS 14 HB2 LYS 14 43.964 12.354 9.777
96 HB3 LYS 14 HB1 LYS 14 43.100 11.032 10.600
97 HG2 LYS 14 HG2 LYS 14 45.085 10.267 11.692
98 HG3 LYS 14 HG1 LYS 14 46.137 11.231 10.630
99 HD2 LYS 14 HD2 LYS 14 45.911 12.270 12.878
100 HD3 LYS 14 HD1 LYS 14 45.250 13.315 11.600
101 HE2 LYS 14 HE2 LYS 14 43.822 13.034 13.733
102 HE3 LYS 14 HE1 LYS 14 42.997 12.781 12.177
103 HZ1 LYS 14 HZ1 LYS 14 44.256 10.426 13.320
104 HZ2 LYS 14 HZ2 LYS 14 42.734 10.601 12.585
105 HZ3 LYS 14 HZ3 LYS 14 42.950 11.039 14.212
106 H HIS 15 HN HIS 15 43.956 8.893 6.920
107 HA HIS 15 HA HIS 15 42.320 8.664 5.297
108 HB2 HIS 15 HB2 HIS 15 40.984 8.031 7.335
109 HB3 HIS 15 HB1 HIS 15 40.423 9.718 7.432
110 HD1 HIS 15 HD1 HIS 15 38.133 7.962 7.030
111 HD2 HIS 15 HD2 HIS 15 40.544 9.064 3.763
112 HE1 HIS 15 HE1 HIS 15 36.739 7.644 4.912
113 H ALA 16 HN ALA 16 43.734 10.781 4.736
114 HA ALA 16 HA ALA 16 43.726 12.896 3.774
115 HB1 ALA 16 HB1 ALA 16 42.263 11.546 2.220
116 HB2 ALA 16 HB2 ALA 16 41.966 13.301 2.192
117 HB3 ALA 16 HB3 ALA 16 40.852 12.223 3.068
118 H GLY 17 HN GLY 17 43.624 13.387 6.294
119 HA2 GLY 17 HA1 GLY 17 41.203 14.606 7.279
120 HA3 GLY 17 HA2 GLY 17 42.835 14.808 7.949
121 H LYS 18 HN LYS 18 40.420 16.034 5.716
122 HA LYS 18 HA LYS 18 40.179 18.115 4.736
123 HB2 LYS 18 HB2 LYS 18 42.398 19.124 6.550
124 HB3 LYS 18 HB1 LYS 18 41.043 20.038 5.847
125 HG2 LYS 18 HG2 LYS 18 39.472 18.526 7.163
126 HG3 LYS 18 HG1 LYS 18 40.909 17.892 8.002
127 HD2 LYS 18 HD2 LYS 18 41.477 20.129 8.814
128 HD3 LYS 18 HD1 LYS 18 40.132 20.839 7.887
129 HE2 LYS 18 HE2 LYS 18 38.547 19.378 9.201
130 HE3 LYS 18 HE1 LYS 18 39.924 18.876 10.210
131 HZ1 LYS 18 HZ1 LYS 18 39.588 21.744 9.833
132 HZ2 LYS 18 HZ2 LYS 18 40.013 20.867 11.226
133 HZ3 LYS 18 HZ3 LYS 18 38.384 20.980 10.753
134 H ALA 19 HN ALA 19 43.667 18.308 5.538
135 HA ALA 19 HA ALA 19 44.304 18.056 2.613
136 HB1 ALA 19 HB1 ALA 19 45.919 19.929 2.873
137 HB2 ALA 19 HB2 ALA 19 45.286 20.221 4.511
138 HB3 ALA 19 HB3 ALA 19 44.232 20.448 3.095
139 H ALA 20 HN ALA 20 44.494 15.993 4.464
140 HA ALA 20 HA ALA 20 46.016 14.482 5.335
141 HB1 ALA 20 HB1 ALA 20 47.934 15.921 3.467
142 HB2 ALA 20 HB2 ALA 20 46.874 14.561 3.027
143 HB3 ALA 20 HB3 ALA 20 48.191 14.322 4.202
144 H LEU 21 HN LEU 21 46.245 14.895 7.457
145 HA LEU 21 HA LEU 21 47.222 15.681 9.407
146 HB2 LEU 21 HB2 LEU 21 49.621 16.475 7.722
147 HB3 LEU 21 HB1 LEU 21 49.587 15.989 9.434
148 HG LEU 21 HG LEU 21 48.939 14.200 7.047
149 HD11 LEU 21 HD11 LEU 21 51.370 14.817 7.439
150 HD12 LEU 21 HD12 LEU 21 51.018 13.076 7.569
151 HD13 LEU 21 HD13 LEU 21 51.238 14.053 9.041
152 HD21 LEU 21 HD21 LEU 21 47.579 13.427 8.852
153 HD22 LEU 21 HD22 LEU 21 48.838 13.772 10.063
154 HD23 LEU 21 HD23 LEU 21 49.036 12.412 8.932
155 H THR 22 HN THR 22 46.153 17.580 7.029
156 HA THR 22 HA THR 22 45.686 19.844 6.852
157 HB THR 22 HB THR 22 46.313 20.003 9.829
158 HG1 THR 22 HG1 THR 22 44.816 18.280 9.098
159 HG21 THR 22 HG21 THR 22 45.954 22.157 8.700
160 HG22 THR 22 HG22 THR 22 44.563 21.775 9.743
161 HG23 THR 22 HG23 THR 22 44.444 21.548 7.982
162 H HIS 23 HN HIS 23 47.741 19.919 5.598
163 HA HIS 23 HA HIS 23 50.109 21.000 6.944
164 HB2 HIS 23 HB2 HIS 23 49.353 20.662 4.015
165 HB3 HIS 23 HB1 HIS 23 50.925 21.289 4.570
166 HD1 HIS 23 HD1 HIS 23 52.231 19.623 6.351
167 HD2 HIS 23 HD2 HIS 23 49.330 17.907 3.835
168 HE1 HIS 23 HE1 HIS 23 52.617 17.097 6.354
169 H TYR 24 HN TYR 24 49.933 22.977 7.825
170 HA TYR 24 HA TYR 24 48.235 25.053 6.793
171 HB2 TYR 24 HB2 TYR 24 49.652 26.536 8.294
172 HB3 TYR 24 HB1 TYR 24 48.909 25.133 9.099
173 HD1 TYR 24 HD1 TYR 24 52.071 26.567 7.783
174 HD2 TYR 24 HD2 TYR 24 50.258 23.247 9.861
175 HE1 TYR 24 HE1 TYR 24 54.327 25.763 8.467
176 HE2 TYR 24 HE2 TYR 24 52.514 22.442 10.546
177 HH TYR 24 HH TYR 24 54.890 22.670 9.607
178 H LEU 25 HN LEU 25 48.505 26.525 5.234
179 HA LEU 25 HA LEU 25 50.845 26.324 3.505
180 HB2 LEU 25 HB2 LEU 25 48.787 28.552 3.418
181 HB3 LEU 25 HB1 LEU 25 49.702 27.824 2.077
182 HG LEU 25 HG LEU 25 47.491 26.503 3.714
183 HD11 LEU 25 HD11 LEU 25 46.335 26.445 1.512
184 HD12 LEU 25 HD12 LEU 25 47.707 27.310 0.778
185 HD13 LEU 25 HD13 LEU 25 46.707 28.111 2.014
186 HD21 LEU 25 HD21 LEU 25 49.085 24.775 3.217
187 HD22 LEU 25 HD22 LEU 25 49.385 25.419 1.585
188 HD23 LEU 25 HD23 LEU 25 47.828 24.642 1.966
Start of MODEL 34
1 H1 GLY 1 HT1 GLY 1 56.497 -4.747 -12.896
2 H2 GLY 1 HT2 GLY 1 57.028 -5.210 -11.350
3 H3 GLY 1 HT3 GLY 1 58.154 -4.930 -12.592
4 HA2 GLY 1 HA1 GLY 1 57.260 -3.165 -10.710
5 HA3 GLY 1 HA2 GLY 1 58.287 -2.831 -12.118
6 H TRP 2 HN TRP 2 55.189 -2.460 -10.654
7 HA TRP 2 HA TRP 2 54.437 -0.431 -12.578
8 HB2 TRP 2 HB2 TRP 2 53.924 -2.493 -13.906
9 HB3 TRP 2 HB1 TRP 2 52.792 -2.991 -12.627
10 HD1 TRP 2 HD1 TRP 2 53.394 0.052 -14.955
11 HE1 TRP 2 HE1 TRP 2 51.099 1.110 -15.571
12 HE3 TRP 2 HE3 TRP 2 50.345 -2.934 -12.127
13 HZ2 TRP 2 HZ2 TRP 2 48.328 0.691 -14.905
14 HZ3 TRP 2 HZ3 TRP 2 47.880 -2.587 -12.133
15 HH2 TRP 2 HH2 TRP 2 46.869 -0.780 -13.518
16 H GLY 3 HN GLY 3 54.443 0.556 -10.427
17 HA2 GLY 3 HA1 GLY 3 51.771 0.781 -9.403
18 HA3 GLY 3 HA2 GLY 3 52.746 -0.225 -8.312
19 H SER 4 HN SER 4 54.719 1.943 -9.972
20 HA SER 4 HA SER 4 55.867 3.830 -9.270
21 HB2 SER 4 HB2 SER 4 53.341 4.586 -7.766
22 HB3 SER 4 HB1 SER 4 54.589 5.668 -8.423
23 HG SER 4 HG SER 4 53.218 5.693 -10.050
24 H PHE 5 HN PHE 5 55.146 5.251 -6.679
25 HA PHE 5 HA PHE 5 55.802 3.280 -4.591
26 HB2 PHE 5 HB2 PHE 5 57.837 5.370 -5.468
27 HB3 PHE 5 HB1 PHE 5 57.924 4.450 -3.947
28 HD1 PHE 5 HD1 PHE 5 58.435 4.357 -7.574
29 HD2 PHE 5 HD2 PHE 5 58.134 1.942 -4.008
30 HE1 PHE 5 HE1 PHE 5 59.495 2.449 -8.776
31 HE2 PHE 5 HE2 PHE 5 59.194 0.035 -5.211
32 HZ PHE 5 HZ PHE 5 59.905 0.300 -7.584
33 H PHE 6 HN PHE 6 53.652 4.314 -4.122
34 HA PHE 6 HA PHE 6 53.608 7.100 -3.302
35 HB2 PHE 6 HB2 PHE 6 51.746 4.774 -2.679
36 HB3 PHE 6 HB1 PHE 6 51.414 6.476 -2.276
37 HD1 PHE 6 HD1 PHE 6 50.873 8.107 -4.009
38 HD2 PHE 6 HD2 PHE 6 51.823 4.023 -5.033
39 HE1 PHE 6 HE1 PHE 6 50.008 8.484 -6.316
40 HE2 PHE 6 HE2 PHE 6 50.959 4.400 -7.340
41 HZ PHE 6 HZ PHE 6 49.988 6.610 -7.959
42 H LYS 7 HN LYS 7 55.320 4.626 -2.060
43 HA LYS 7 HA LYS 7 54.693 4.749 0.752
44 HB2 LYS 7 HB2 LYS 7 57.281 4.004 -0.671
45 HB3 LYS 7 HB1 LYS 7 56.917 3.689 1.043
46 HG2 LYS 7 HG2 LYS 7 54.899 2.374 0.323
47 HG3 LYS 7 HG1 LYS 7 55.402 2.599 -1.370
48 HD2 LYS 7 HD2 LYS 7 57.546 1.467 -0.898
49 HD3 LYS 7 HD1 LYS 7 57.073 1.262 0.806
50 HE2 LYS 7 HE2 LYS 7 55.534 0.135 -1.574
51 HE3 LYS 7 HE1 LYS 7 56.661 -0.796 -0.558
52 HZ1 LYS 7 HZ1 LYS 7 54.072 0.429 0.202
53 HZ2 LYS 7 HZ2 LYS 7 55.227 0.001 1.372
54 HZ3 LYS 7 HZ3 LYS 7 54.563 -1.187 0.354
55 H LYS 8 HN LYS 8 56.840 6.600 -1.385
56 HA LYS 8 HA LYS 8 58.308 7.946 0.675
57 HB2 LYS 8 HB2 LYS 8 57.563 9.134 -2.021
58 HB3 LYS 8 HB1 LYS 8 59.006 9.463 -1.036
59 HG2 LYS 8 HG2 LYS 8 58.312 6.840 -2.430
60 HG3 LYS 8 HG1 LYS 8 59.611 7.971 -2.875
61 HD2 LYS 8 HD2 LYS 8 60.496 7.595 -0.449
62 HD3 LYS 8 HD1 LYS 8 59.411 6.184 -0.422
63 HE2 LYS 8 HE2 LYS 8 61.577 5.402 -1.149
64 HE3 LYS 8 HE1 LYS 8 60.517 5.413 -2.579
65 HZ1 LYS 8 HZ1 LYS 8 62.921 6.552 -2.522
66 HZ2 LYS 8 HZ2 LYS 8 61.974 7.878 -2.039
67 HZ3 LYS 8 HZ3 LYS 8 61.659 7.097 -3.514
68 H ALA 9 HN ALA 9 55.859 9.501 -1.437
69 HA ALA 9 HA ALA 9 55.375 11.621 0.434
70 HB1 ALA 9 HB1 ALA 9 54.897 11.851 -1.946
71 HB2 ALA 9 HB2 ALA 9 53.410 12.109 -1.001
72 HB3 ALA 9 HB3 ALA 9 53.670 10.566 -1.849
73 H ALA 10 HN ALA 10 54.413 11.521 2.344
74 HA ALA 10 HA ALA 10 53.007 9.251 3.314
75 HB1 ALA 10 HB1 ALA 10 52.411 10.621 5.187
76 HB2 ALA 10 HB2 ALA 10 52.608 12.112 4.236
77 HB3 ALA 10 HB3 ALA 10 54.032 11.130 4.661
78 H HIS 11 HN HIS 11 50.709 9.217 4.060
79 HA HIS 11 HA HIS 11 48.773 10.884 2.682
80 HB2 HIS 11 HB2 HIS 11 47.811 9.169 1.213
81 HB3 HIS 11 HB1 HIS 11 49.508 9.478 0.772
82 HD1 HIS 11 HD1 HIS 11 47.367 6.728 0.986
83 HD2 HIS 11 HD2 HIS 11 51.119 7.493 2.726
84 HE1 HIS 11 HE1 HIS 11 48.412 4.470 1.568
85 H ALA 12 HN ALA 12 49.614 7.959 4.469
86 HA ALA 12 HA ALA 12 48.448 6.779 6.092
87 HB1 ALA 12 HB1 ALA 12 48.641 8.823 7.346
88 HB2 ALA 12 HB2 ALA 12 46.994 8.190 7.590
89 HB3 ALA 12 HB3 ALA 12 47.270 9.550 6.475
90 H GLY 13 HN GLY 13 45.681 8.907 5.795
91 HA2 GLY 13 HA1 GLY 13 43.883 6.731 5.342
92 HA3 GLY 13 HA2 GLY 13 43.502 8.455 5.166
93 H LYS 14 HN LYS 14 44.233 9.520 3.136
94 HA LYS 14 HA LYS 14 44.922 7.913 0.841
95 HB2 LYS 14 HB2 LYS 14 42.772 8.069 -0.374
96 HB3 LYS 14 HB1 LYS 14 42.620 7.076 1.096
97 HG2 LYS 14 HG2 LYS 14 41.796 9.146 2.306
98 HG3 LYS 14 HG1 LYS 14 41.758 9.977 0.732
99 HD2 LYS 14 HD2 LYS 14 40.250 8.154 -0.130
100 HD3 LYS 14 HD1 LYS 14 40.199 7.476 1.516
101 HE2 LYS 14 HE2 LYS 14 39.255 9.582 2.376
102 HE3 LYS 14 HE1 LYS 14 39.355 10.308 0.755
103 HZ1 LYS 14 HZ1 LYS 14 37.293 9.522 0.516
104 HZ2 LYS 14 HZ2 LYS 14 37.423 8.456 1.833
105 HZ3 LYS 14 HZ3 LYS 14 38.015 8.002 0.307
106 H HIS 15 HN HIS 15 43.872 9.338 -1.226
107 HA HIS 15 HA HIS 15 45.456 11.701 -1.218
108 HB2 HIS 15 HB2 HIS 15 44.211 12.281 -3.294
109 HB3 HIS 15 HB1 HIS 15 44.761 10.589 -3.285
110 HD1 HIS 15 HD1 HIS 15 42.787 8.928 -2.022
111 HD2 HIS 15 HD2 HIS 15 41.596 12.356 -4.143
112 HE1 HIS 15 HE1 HIS 15 40.310 8.651 -2.588
113 H ALA 16 HN ALA 16 45.132 13.181 0.364
114 HA ALA 16 HA ALA 16 44.075 14.873 1.539
115 HB1 ALA 16 HB1 ALA 16 43.754 15.667 -0.840
116 HB2 ALA 16 HB2 ALA 16 42.560 16.281 0.329
117 HB3 ALA 16 HB3 ALA 16 42.123 14.959 -0.781
118 H GLY 17 HN GLY 17 43.449 12.506 2.566
119 HA2 GLY 17 HA1 GLY 17 40.533 12.113 2.658
120 HA3 GLY 17 HA2 GLY 17 41.767 11.208 3.558
121 H LYS 18 HN LYS 18 39.684 14.032 3.496
122 HA LYS 18 HA LYS 18 39.022 15.467 5.193
123 HB2 LYS 18 HB2 LYS 18 40.035 13.335 7.110
124 HB3 LYS 18 HB1 LYS 18 38.772 14.554 7.403
125 HG2 LYS 18 HG2 LYS 18 37.396 13.521 5.587
126 HG3 LYS 18 HG1 LYS 18 38.638 12.260 5.397
127 HD2 LYS 18 HD2 LYS 18 38.308 11.532 7.716
128 HD3 LYS 18 HD1 LYS 18 37.140 12.848 7.988
129 HE2 LYS 18 HE2 LYS 18 35.766 11.862 6.069
130 HE3 LYS 18 HE1 LYS 18 36.846 10.448 6.139
131 HZ1 LYS 18 HZ1 LYS 18 35.203 11.511 8.385
132 HZ2 LYS 18 HZ2 LYS 18 36.258 10.182 8.479
133 HZ3 LYS 18 HZ3 LYS 18 34.878 10.107 7.491
134 H ALA 19 HN ALA 19 42.086 14.868 4.427
135 HA ALA 19 HA ALA 19 43.110 17.202 5.753
136 HB1 ALA 19 HB1 ALA 19 43.944 14.511 6.884
137 HB2 ALA 19 HB2 ALA 19 43.190 15.868 7.756
138 HB3 ALA 19 HB3 ALA 19 44.853 16.019 7.137
139 H ALA 20 HN ALA 20 44.694 17.983 4.509
140 HA ALA 20 HA ALA 20 45.480 16.830 2.098
141 HB1 ALA 20 HB1 ALA 20 45.896 19.179 2.782
142 HB2 ALA 20 HB2 ALA 20 47.342 18.400 2.099
143 HB3 ALA 20 HB3 ALA 20 47.193 18.614 3.860
144 H LEU 21 HN LEU 21 45.941 14.641 2.218
145 HA LEU 21 HA LEU 21 47.314 12.793 2.445
146 HB2 LEU 21 HB2 LEU 21 49.584 14.710 3.079
147 HB3 LEU 21 HB1 LEU 21 49.680 13.098 2.336
148 HG LEU 21 HG LEU 21 48.351 15.549 1.094
149 HD11 LEU 21 HD11 LEU 21 50.240 15.575 -0.426
150 HD12 LEU 21 HD12 LEU 21 50.887 14.071 0.275
151 HD13 LEU 21 HD13 LEU 21 50.879 15.569 1.236
152 HD21 LEU 21 HD21 LEU 21 48.667 12.652 0.208
153 HD22 LEU 21 HD22 LEU 21 48.430 13.965 -0.970
154 HD23 LEU 21 HD23 LEU 21 47.188 13.640 0.259
155 H THR 22 HN THR 22 49.022 14.913 4.783
156 HA THR 22 HA THR 22 47.768 13.647 7.079
157 HB THR 22 HB THR 22 50.691 12.921 6.620
158 HG1 THR 22 HG1 THR 22 49.352 10.757 6.552
159 HG21 THR 22 HG21 THR 22 50.216 11.342 8.494
160 HG22 THR 22 HG22 THR 22 48.570 12.009 8.611
161 HG23 THR 22 HG23 THR 22 49.976 13.042 8.967
162 H HIS 23 HN HIS 23 47.626 16.123 7.005
163 HA HIS 23 HA HIS 23 48.285 18.159 7.899
164 HB2 HIS 23 HB2 HIS 23 50.076 16.471 9.687
165 HB3 HIS 23 HB1 HIS 23 49.441 18.099 10.025
166 HD1 HIS 23 HD1 HIS 23 48.866 14.967 11.295
167 HD2 HIS 23 HD2 HIS 23 46.277 17.677 9.385
168 HE1 HIS 23 HE1 HIS 23 46.482 14.353 11.979
169 H TYR 24 HN TYR 24 49.321 18.769 5.917
170 HA TYR 24 HA TYR 24 52.093 19.526 6.336
171 HB2 TYR 24 HB2 TYR 24 52.375 17.127 5.682
172 HB3 TYR 24 HB1 TYR 24 51.553 17.484 4.143
173 HD1 TYR 24 HD1 TYR 24 52.844 18.232 2.299
174 HD2 TYR 24 HD2 TYR 24 54.405 18.683 6.300
175 HE1 TYR 24 HE1 TYR 24 55.000 19.059 1.366
176 HE2 TYR 24 HE2 TYR 24 56.560 19.508 5.363
177 HH TYR 24 HH TYR 24 57.825 19.178 3.223
178 H LEU 25 HN LEU 25 49.425 20.634 5.664
179 HA LEU 25 HA LEU 25 48.493 22.161 4.182
180 HB2 LEU 25 HB2 LEU 25 51.337 22.774 3.312
181 HB3 LEU 25 HB1 LEU 25 49.947 23.880 3.423
182 HG LEU 25 HG LEU 25 51.379 22.533 5.758
183 HD11 LEU 25 HD11 LEU 25 52.138 24.767 6.310
184 HD12 LEU 25 HD12 LEU 25 51.135 25.481 5.025
185 HD13 LEU 25 HD13 LEU 25 52.537 24.471 4.602
186 HD21 LEU 25 HD21 LEU 25 49.846 24.154 7.079
187 HD22 LEU 25 HD22 LEU 25 49.079 22.703 6.396
188 HD23 LEU 25 HD23 LEU 25 48.885 24.277 5.586
Start of MODEL 35
1 H1 GLY 1 HT1 GLY 1 60.104 0.192 -6.956
2 H2 GLY 1 HT2 GLY 1 61.717 -0.342 -6.925
3 H3 GLY 1 HT3 GLY 1 61.323 1.147 -7.645
4 HA2 GLY 1 HA1 GLY 1 60.718 0.635 -4.831
5 HA3 GLY 1 HA2 GLY 1 62.350 1.116 -5.335
6 H TRP 2 HN TRP 2 61.783 2.849 -7.433
7 HA TRP 2 HA TRP 2 61.278 5.273 -6.025
8 HB2 TRP 2 HB2 TRP 2 61.088 4.659 -9.000
9 HB3 TRP 2 HB1 TRP 2 61.119 6.293 -8.294
10 HD1 TRP 2 HD1 TRP 2 63.393 7.191 -7.361
11 HE1 TRP 2 HE1 TRP 2 65.860 6.387 -7.525
12 HE3 TRP 2 HE3 TRP 2 62.583 2.454 -9.127
13 HZ2 TRP 2 HZ2 TRP 2 67.260 4.001 -8.323
14 HZ3 TRP 2 HZ3 TRP 2 64.501 0.931 -9.582
15 HH2 TRP 2 HH2 TRP 2 66.835 1.699 -9.182
16 H GLY 3 HN GLY 3 59.278 4.316 -8.818
17 HA2 GLY 3 HA1 GLY 3 56.817 4.107 -7.365
18 HA3 GLY 3 HA2 GLY 3 57.004 5.767 -7.966
19 H SER 4 HN SER 4 58.114 2.741 -9.489
20 HA SER 4 HA SER 4 57.018 3.512 -12.044
21 HB2 SER 4 HB2 SER 4 58.910 2.044 -12.019
22 HB3 SER 4 HB1 SER 4 58.086 0.889 -10.948
23 HG SER 4 HG SER 4 57.518 -0.003 -12.772
24 H PHE 5 HN PHE 5 56.275 0.380 -10.538
25 HA PHE 5 HA PHE 5 53.558 0.479 -11.623
26 HB2 PHE 5 HB2 PHE 5 54.965 -1.611 -11.430
27 HB3 PHE 5 HB1 PHE 5 54.752 -1.521 -9.665
28 HD1 PHE 5 HD1 PHE 5 53.014 -1.995 -12.921
29 HD2 PHE 5 HD2 PHE 5 52.615 -2.037 -8.623
30 HE1 PHE 5 HE1 PHE 5 50.793 -3.105 -13.137
31 HE2 PHE 5 HE2 PHE 5 50.395 -3.147 -8.840
32 HZ PHE 5 HZ PHE 5 49.463 -3.636 -11.098
33 H PHE 6 HN PHE 6 54.974 0.336 -8.321
34 HA PHE 6 HA PHE 6 52.557 0.501 -6.878
35 HB2 PHE 6 HB2 PHE 6 55.203 1.807 -6.133
36 HB3 PHE 6 HB1 PHE 6 53.900 1.323 -5.021
37 HD1 PHE 6 HD1 PHE 6 56.664 0.145 -7.172
38 HD2 PHE 6 HD2 PHE 6 53.435 -1.059 -4.572
39 HE1 PHE 6 HE1 PHE 6 57.624 -2.150 -7.042
40 HE2 PHE 6 HE2 PHE 6 54.395 -3.355 -4.443
41 HZ PHE 6 HZ PHE 6 56.523 -3.882 -5.629
42 H LYS 7 HN LYS 7 51.615 2.298 -5.691
43 HA LYS 7 HA LYS 7 52.091 5.009 -6.837
44 HB2 LYS 7 HB2 LYS 7 49.354 3.667 -6.870
45 HB3 LYS 7 HB1 LYS 7 49.724 5.333 -7.376
46 HG2 LYS 7 HG2 LYS 7 51.356 4.336 -9.069
47 HG3 LYS 7 HG1 LYS 7 50.666 2.744 -8.673
48 HD2 LYS 7 HD2 LYS 7 48.438 3.485 -9.356
49 HD3 LYS 7 HD1 LYS 7 49.041 5.136 -9.637
50 HE2 LYS 7 HE2 LYS 7 48.847 3.799 -11.750
51 HE3 LYS 7 HE1 LYS 7 50.510 4.345 -11.426
52 HZ1 LYS 7 HZ1 LYS 7 51.199 2.253 -11.271
53 HZ2 LYS 7 HZ2 LYS 7 49.685 1.760 -11.864
54 HZ3 LYS 7 HZ3 LYS 7 49.962 1.830 -10.189
55 H LYS 8 HN LYS 8 49.162 5.360 -5.634
56 HA LYS 8 HA LYS 8 50.033 6.504 -3.164
57 HB2 LYS 8 HB2 LYS 8 47.221 5.560 -3.843
58 HB3 LYS 8 HB1 LYS 8 47.687 6.840 -2.696
59 HG2 LYS 8 HG2 LYS 8 48.691 8.130 -4.587
60 HG3 LYS 8 HG1 LYS 8 48.119 6.877 -5.716
61 HD2 LYS 8 HD2 LYS 8 45.783 7.295 -5.003
62 HD3 LYS 8 HD1 LYS 8 46.352 8.548 -3.873
63 HE2 LYS 8 HE2 LYS 8 46.629 8.571 -6.910
64 HE3 LYS 8 HE1 LYS 8 45.591 9.630 -5.926
65 HZ1 LYS 8 HZ1 LYS 8 47.545 10.838 -6.420
66 HZ2 LYS 8 HZ2 LYS 8 48.561 9.544 -5.993
67 HZ3 LYS 8 HZ3 LYS 8 47.686 10.372 -4.795
68 H ALA 9 HN ALA 9 47.644 5.320 -1.661
69 HA ALA 9 HA ALA 9 48.396 2.550 -1.130
70 HB1 ALA 9 HB1 ALA 9 49.255 2.862 1.122
71 HB2 ALA 9 HB2 ALA 9 49.062 4.627 0.986
72 HB3 ALA 9 HB3 ALA 9 50.261 3.781 -0.022
73 H ALA 10 HN ALA 10 45.998 3.782 -1.859
74 HA ALA 10 HA ALA 10 43.782 3.992 -1.195
75 HB1 ALA 10 HB1 ALA 10 44.158 1.586 -0.774
76 HB2 ALA 10 HB2 ALA 10 42.988 2.285 0.372
77 HB3 ALA 10 HB3 ALA 10 44.660 1.965 0.890
78 H HIS 11 HN HIS 11 43.581 6.079 -0.491
79 HA HIS 11 HA HIS 11 44.591 7.169 1.901
80 HB2 HIS 11 HB2 HIS 11 42.717 8.819 1.701
81 HB3 HIS 11 HB1 HIS 11 43.594 8.564 0.174
82 HD1 HIS 11 HD1 HIS 11 40.236 8.392 1.702
83 HD2 HIS 11 HD2 HIS 11 42.156 6.735 -1.655
84 HE1 HIS 11 HE1 HIS 11 38.416 7.484 0.156
85 H ALA 12 HN ALA 12 43.364 7.851 3.850
86 HA ALA 12 HA ALA 12 40.992 6.397 4.635
87 HB1 ALA 12 HB1 ALA 12 43.659 5.411 5.701
88 HB2 ALA 12 HB2 ALA 12 42.471 4.483 4.755
89 HB3 ALA 12 HB3 ALA 12 42.078 5.008 6.411
90 H GLY 13 HN GLY 13 44.034 7.369 6.290
91 HA2 GLY 13 HA1 GLY 13 42.933 9.832 7.281
92 HA3 GLY 13 HA2 GLY 13 42.788 8.565 8.513
93 H LYS 14 HN LYS 14 45.218 9.799 6.162
94 HA LYS 14 HA LYS 14 47.102 10.461 8.240
95 HB2 LYS 14 HB2 LYS 14 47.306 8.027 8.484
96 HB3 LYS 14 HB1 LYS 14 47.614 7.859 6.741
97 HG2 LYS 14 HG2 LYS 14 49.698 9.064 6.907
98 HG3 LYS 14 HG1 LYS 14 49.345 9.562 8.580
99 HD2 LYS 14 HD2 LYS 14 49.504 7.262 9.361
100 HD3 LYS 14 HD1 LYS 14 49.666 6.664 7.691
101 HE2 LYS 14 HE2 LYS 14 51.882 6.756 8.722
102 HE3 LYS 14 HE1 LYS 14 51.773 8.009 7.464
103 HZ1 LYS 14 HZ1 LYS 14 51.601 8.342 10.406
104 HZ2 LYS 14 HZ2 LYS 14 51.068 9.544 9.330
105 HZ3 LYS 14 HZ3 LYS 14 52.697 9.059 9.329
106 H HIS 15 HN HIS 15 47.914 8.786 5.210
107 HA HIS 15 HA HIS 15 49.536 10.981 4.299
108 HB2 HIS 15 HB2 HIS 15 49.814 8.555 3.666
109 HB3 HIS 15 HB1 HIS 15 48.372 8.718 2.635
110 HD1 HIS 15 HD1 HIS 15 48.707 9.643 0.323
111 HD2 HIS 15 HD2 HIS 15 52.009 10.342 2.831
112 HE1 HIS 15 HE1 HIS 15 50.539 10.706 -1.107
113 H ALA 16 HN ALA 16 46.228 10.783 4.518
114 HA ALA 16 HA ALA 16 45.872 13.088 2.783
115 HB1 ALA 16 HB1 ALA 16 45.889 11.446 1.014
116 HB2 ALA 16 HB2 ALA 16 44.211 11.986 1.263
117 HB3 ALA 16 HB3 ALA 16 44.745 10.412 1.900
118 H GLY 17 HN GLY 17 45.418 13.003 5.396
119 HA2 GLY 17 HA1 GLY 17 42.459 13.230 5.531
120 HA3 GLY 17 HA2 GLY 17 43.229 12.091 6.654
121 H LYS 18 HN LYS 18 45.662 13.667 6.978
122 HA LYS 18 HA LYS 18 44.952 16.310 7.909
123 HB2 LYS 18 HB2 LYS 18 45.247 15.847 10.359
124 HB3 LYS 18 HB1 LYS 18 43.761 15.147 9.674
125 HG2 LYS 18 HG2 LYS 18 44.981 12.963 9.394
126 HG3 LYS 18 HG1 LYS 18 46.377 13.682 10.234
127 HD2 LYS 18 HD2 LYS 18 44.987 14.104 12.225
128 HD3 LYS 18 HD1 LYS 18 43.565 13.434 11.390
129 HE2 LYS 18 HE2 LYS 18 44.756 11.256 11.153
130 HE3 LYS 18 HE1 LYS 18 46.137 11.931 12.052
131 HZ1 LYS 18 HZ1 LYS 18 44.069 10.646 13.184
132 HZ2 LYS 18 HZ2 LYS 18 43.557 12.259 13.334
133 HZ3 LYS 18 HZ3 LYS 18 45.047 11.774 13.990
134 H ALA 19 HN ALA 19 47.067 13.467 8.151
135 HA ALA 19 HA ALA 19 49.399 15.104 8.915
136 HB1 ALA 19 HB1 ALA 19 50.602 13.030 8.914
137 HB2 ALA 19 HB2 ALA 19 49.331 12.224 7.963
138 HB3 ALA 19 HB3 ALA 19 49.010 12.715 9.643
139 H ALA 20 HN ALA 20 47.926 15.695 6.385
140 HA ALA 20 HA ALA 20 50.294 15.969 4.696
141 HB1 ALA 20 HB1 ALA 20 48.026 14.268 3.619
142 HB2 ALA 20 HB2 ALA 20 49.543 13.595 4.263
143 HB3 ALA 20 HB3 ALA 20 49.573 14.648 2.828
144 H LEU 21 HN LEU 21 46.708 15.950 4.778
145 HA LEU 21 HA LEU 21 46.417 17.987 2.761
146 HB2 LEU 21 HB2 LEU 21 44.476 17.443 5.036
147 HB3 LEU 21 HB1 LEU 21 44.116 18.058 3.405
148 HG LEU 21 HG LEU 21 45.170 15.275 4.084
149 HD11 LEU 21 HD11 LEU 21 42.478 16.219 2.998
150 HD12 LEU 21 HD12 LEU 21 42.781 15.667 4.663
151 HD13 LEU 21 HD13 LEU 21 42.950 14.530 3.304
152 HD21 LEU 21 HD21 LEU 21 44.575 14.934 1.571
153 HD22 LEU 21 HD22 LEU 21 46.072 15.814 1.942
154 HD23 LEU 21 HD23 LEU 21 44.611 16.709 1.454
155 H THR 22 HN THR 22 46.684 18.062 6.312
156 HA THR 22 HA THR 22 46.039 20.769 6.753
157 HB THR 22 HB THR 22 48.231 19.155 8.133
158 HG1 THR 22 HG1 THR 22 46.315 18.090 8.341
159 HG21 THR 22 HG21 THR 22 46.715 21.689 8.863
160 HG22 THR 22 HG22 THR 22 48.476 21.478 8.703
161 HG23 THR 22 HG23 THR 22 47.605 20.714 10.056
162 H HIS 23 HN HIS 23 49.308 19.370 6.208
163 HA HIS 23 HA HIS 23 50.657 21.873 6.055
164 HB2 HIS 23 HB2 HIS 23 51.701 19.572 6.284
165 HB3 HIS 23 HB1 HIS 23 51.398 19.337 4.546
166 HD1 HIS 23 HD1 HIS 23 52.226 21.797 3.175
167 HD2 HIS 23 HD2 HIS 23 54.322 20.378 6.533
168 HE1 HIS 23 HE1 HIS 23 54.555 22.848 3.120
169 H TYR 24 HN TYR 24 51.248 23.211 4.366
170 HA TYR 24 HA TYR 24 49.345 23.501 2.248
171 HB2 TYR 24 HB2 TYR 24 52.192 24.574 2.377
172 HB3 TYR 24 HB1 TYR 24 50.861 25.204 1.376
173 HD1 TYR 24 HD1 TYR 24 48.786 26.134 2.512
174 HD2 TYR 24 HD2 TYR 24 52.401 25.208 4.684
175 HE1 TYR 24 HE1 TYR 24 48.012 27.553 4.408
176 HE2 TYR 24 HE2 TYR 24 51.626 26.629 6.579
177 HH TYR 24 HH TYR 24 49.619 28.963 6.302
178 H LEU 25 HN LEU 25 50.277 23.781 -0.124
179 HA LEU 25 HA LEU 25 50.813 22.563 -2.031
180 HB2 LEU 25 HB2 LEU 25 53.138 21.474 -0.403
181 HB3 LEU 25 HB1 LEU 25 53.059 21.749 -2.158
182 HG LEU 25 HG LEU 25 52.936 23.930 -0.024
183 HD11 LEU 25 HD11 LEU 25 55.193 24.520 -0.860
184 HD12 LEU 25 HD12 LEU 25 55.150 23.124 -1.964
185 HD13 LEU 25 HD13 LEU 25 55.164 22.866 -0.202
186 HD21 LEU 25 HD21 LEU 25 52.847 23.944 -3.071
187 HD22 LEU 25 HD22 LEU 25 53.367 25.371 -2.144
188 HD23 LEU 25 HD23 LEU 25 51.726 24.722 -1.928
Start of MODEL 36
1 H1 GLY 1 HT1 GLY 1 58.633 6.015 -0.638
2 H2 GLY 1 HT2 GLY 1 59.849 5.038 -1.315
3 H3 GLY 1 HT3 GLY 1 58.479 5.453 -2.231
4 HA2 GLY 1 HA1 GLY 1 60.217 7.531 -1.143
5 HA3 GLY 1 HA2 GLY 1 60.671 6.665 -2.623
6 H TRP 2 HN TRP 2 60.514 8.628 -3.802
7 HA TRP 2 HA TRP 2 58.085 10.174 -3.889
8 HB2 TRP 2 HB2 TRP 2 59.062 11.073 -6.023
9 HB3 TRP 2 HB1 TRP 2 60.179 11.138 -4.640
10 HD1 TRP 2 HD1 TRP 2 62.198 9.401 -4.601
11 HE1 TRP 2 HE1 TRP 2 63.377 8.030 -6.470
12 HE3 TRP 2 HE3 TRP 2 58.661 9.834 -8.276
13 HZ2 TRP 2 HZ2 TRP 2 62.830 7.245 -9.185
14 HZ3 TRP 2 HZ3 TRP 2 59.010 8.767 -10.498
15 HH2 TRP 2 HH2 TRP 2 61.089 7.473 -10.955
16 H GLY 3 HN GLY 3 59.360 7.478 -5.856
17 HA2 GLY 3 HA1 GLY 3 57.375 7.491 -7.869
18 HA3 GLY 3 HA2 GLY 3 58.281 6.064 -7.330
19 H SER 4 HN SER 4 57.505 5.252 -5.061
20 HA SER 4 HA SER 4 55.782 4.109 -4.003
21 HB2 SER 4 HB2 SER 4 53.941 5.455 -3.234
22 HB3 SER 4 HB1 SER 4 55.375 6.504 -3.283
23 HG SER 4 HG SER 4 53.288 6.300 -5.213
24 H PHE 5 HN PHE 5 52.869 4.777 -4.583
25 HA PHE 5 HA PHE 5 52.492 3.854 -7.358
26 HB2 PHE 5 HB2 PHE 5 51.677 2.065 -5.031
27 HB3 PHE 5 HB1 PHE 5 51.340 1.777 -6.755
28 HD1 PHE 5 HD1 PHE 5 53.894 1.692 -4.103
29 HD2 PHE 5 HD2 PHE 5 53.188 1.265 -8.339
30 HE1 PHE 5 HE1 PHE 5 56.116 0.598 -4.363
31 HE2 PHE 5 HE2 PHE 5 55.411 0.171 -8.599
32 HZ PHE 5 HZ PHE 5 56.902 -0.102 -6.621
33 H PHE 6 HN PHE 6 49.926 2.944 -7.241
34 HA PHE 6 HA PHE 6 48.450 5.388 -6.924
35 HB2 PHE 6 HB2 PHE 6 47.431 2.525 -7.119
36 HB3 PHE 6 HB1 PHE 6 46.472 3.999 -7.391
37 HD1 PHE 6 HD1 PHE 6 49.096 1.782 -8.747
38 HD2 PHE 6 HD2 PHE 6 46.870 5.428 -9.363
39 HE1 PHE 6 HE1 PHE 6 49.861 1.848 -11.118
40 HE2 PHE 6 HE2 PHE 6 47.636 5.494 -11.734
41 HZ PHE 6 HZ PHE 6 49.179 3.736 -12.593
42 H LYS 7 HN LYS 7 46.634 5.802 -5.512
43 HA LYS 7 HA LYS 7 47.288 5.405 -2.753
44 HB2 LYS 7 HB2 LYS 7 44.585 6.117 -3.958
45 HB3 LYS 7 HB1 LYS 7 45.124 6.432 -2.290
46 HG2 LYS 7 HG2 LYS 7 47.065 7.772 -3.327
47 HG3 LYS 7 HG1 LYS 7 46.178 7.667 -4.867
48 HD2 LYS 7 HD2 LYS 7 45.038 8.805 -2.274
49 HD3 LYS 7 HD1 LYS 7 45.688 9.781 -3.611
50 HE2 LYS 7 HE2 LYS 7 43.986 8.527 -5.117
51 HE3 LYS 7 HE1 LYS 7 43.219 8.009 -3.597
52 HZ1 LYS 7 HZ1 LYS 7 43.306 10.488 -3.009
53 HZ2 LYS 7 HZ2 LYS 7 42.135 9.971 -4.128
54 HZ3 LYS 7 HZ3 LYS 7 43.548 10.746 -4.668
55 H LYS 8 HN LYS 8 46.054 3.248 -5.007
56 HA LYS 8 HA LYS 8 44.103 1.835 -3.440
57 HB2 LYS 8 HB2 LYS 8 44.552 1.647 -5.953
58 HB3 LYS 8 HB1 LYS 8 45.943 0.620 -5.533
59 HG2 LYS 8 HG2 LYS 8 44.402 -0.893 -4.265
60 HG3 LYS 8 HG1 LYS 8 43.028 0.106 -4.796
61 HD2 LYS 8 HD2 LYS 8 43.451 -0.418 -7.121
62 HD3 LYS 8 HD1 LYS 8 44.986 -1.224 -6.714
63 HE2 LYS 8 HE2 LYS 8 43.262 -2.922 -7.074
64 HE3 LYS 8 HE1 LYS 8 43.697 -2.890 -5.349
65 HZ1 LYS 8 HZ1 LYS 8 41.491 -2.713 -5.071
66 HZ2 LYS 8 HZ2 LYS 8 41.211 -2.157 -6.652
67 HZ3 LYS 8 HZ3 LYS 8 41.726 -1.076 -5.448
68 H ALA 9 HN ALA 9 47.558 2.035 -3.301
69 HA ALA 9 HA ALA 9 48.410 -0.422 -2.352
70 HB1 ALA 9 HB1 ALA 9 49.870 1.530 -2.614
71 HB2 ALA 9 HB2 ALA 9 50.059 0.812 -0.996
72 HB3 ALA 9 HB3 ALA 9 49.108 2.302 -1.205
73 H ALA 10 HN ALA 10 47.677 2.161 0.021
74 HA ALA 10 HA ALA 10 45.787 0.510 1.489
75 HB1 ALA 10 HB1 ALA 10 47.786 -0.710 2.129
76 HB2 ALA 10 HB2 ALA 10 47.208 0.238 3.521
77 HB3 ALA 10 HB3 ALA 10 48.608 0.802 2.577
78 H HIS 11 HN HIS 11 47.381 3.362 0.709
79 HA HIS 11 HA HIS 11 47.141 4.985 2.997
80 HB2 HIS 11 HB2 HIS 11 46.589 5.729 0.096
81 HB3 HIS 11 HB1 HIS 11 46.924 6.875 1.417
82 HD1 HIS 11 HD1 HIS 11 48.961 7.243 -0.594
83 HD2 HIS 11 HD2 HIS 11 49.248 4.050 2.129
84 HE1 HIS 11 HE1 HIS 11 51.401 6.485 -0.563
85 H ALA 12 HN ALA 12 45.427 5.000 4.316
86 HA ALA 12 HA ALA 12 42.714 4.637 3.342
87 HB1 ALA 12 HB1 ALA 12 43.720 5.665 6.019
88 HB2 ALA 12 HB2 ALA 12 43.439 3.957 5.602
89 HB3 ALA 12 HB3 ALA 12 42.072 5.094 5.664
90 H GLY 13 HN GLY 13 44.702 7.118 2.779
91 HA2 GLY 13 HA1 GLY 13 44.247 9.258 2.005
92 HA3 GLY 13 HA2 GLY 13 42.518 8.954 2.258
93 H LYS 14 HN LYS 14 45.497 9.354 4.239
94 HA LYS 14 HA LYS 14 44.460 11.697 5.568
95 HB2 LYS 14 HB2 LYS 14 43.003 9.876 6.582
96 HB3 LYS 14 HB1 LYS 14 44.486 9.188 7.284
97 HG2 LYS 14 HG2 LYS 14 44.944 11.376 8.401
98 HG3 LYS 14 HG1 LYS 14 43.410 12.004 7.751
99 HD2 LYS 14 HD2 LYS 14 42.220 10.099 8.912
100 HD3 LYS 14 HD1 LYS 14 43.768 9.672 9.680
101 HE2 LYS 14 HE2 LYS 14 43.900 11.926 10.690
102 HE3 LYS 14 HE1 LYS 14 42.362 12.369 9.912
103 HZ1 LYS 14 HZ1 LYS 14 41.311 10.519 11.123
104 HZ2 LYS 14 HZ2 LYS 14 41.967 11.685 12.171
105 HZ3 LYS 14 HZ3 LYS 14 42.775 10.210 11.922
106 H HIS 15 HN HIS 15 46.261 8.844 6.791
107 HA HIS 15 HA HIS 15 48.368 10.413 7.914
108 HB2 HIS 15 HB2 HIS 15 48.409 7.512 6.993
109 HB3 HIS 15 HB1 HIS 15 49.583 8.275 8.093
110 HD1 HIS 15 HD1 HIS 15 47.982 5.908 9.171
111 HD2 HIS 15 HD2 HIS 15 46.593 9.870 9.399
112 HE1 HIS 15 HE1 HIS 15 46.312 6.020 11.101
113 H ALA 16 HN ALA 16 47.674 9.553 4.654
114 HA ALA 16 HA ALA 16 50.029 10.990 3.723
115 HB1 ALA 16 HB1 ALA 16 49.902 7.991 3.253
116 HB2 ALA 16 HB2 ALA 16 51.097 8.844 4.258
117 HB3 ALA 16 HB3 ALA 16 51.058 9.113 2.499
118 H GLY 17 HN GLY 17 47.559 11.725 3.232
119 HA2 GLY 17 HA1 GLY 17 47.347 11.426 0.351
120 HA3 GLY 17 HA2 GLY 17 46.052 10.563 1.203
121 H LYS 18 HN LYS 18 46.999 13.103 3.133
122 HA LYS 18 HA LYS 18 45.577 15.265 1.794
123 HB2 LYS 18 HB2 LYS 18 43.707 13.713 2.565
124 HB3 LYS 18 HB1 LYS 18 44.209 14.071 4.234
125 HG2 LYS 18 HG2 LYS 18 43.956 16.542 3.676
126 HG3 LYS 18 HG1 LYS 18 43.212 16.046 2.138
127 HD2 LYS 18 HD2 LYS 18 42.218 15.212 4.901
128 HD3 LYS 18 HD1 LYS 18 41.520 16.526 3.929
129 HE2 LYS 18 HE2 LYS 18 41.266 14.713 2.056
130 HE3 LYS 18 HE1 LYS 18 41.498 13.542 3.378
131 HZ1 LYS 18 HZ1 LYS 18 39.593 14.286 4.461
132 HZ2 LYS 18 HZ2 LYS 18 39.132 14.277 2.824
133 HZ3 LYS 18 HZ3 LYS 18 39.526 15.742 3.592
134 H ALA 19 HN ALA 19 46.229 13.975 5.094
135 HA ALA 19 HA ALA 19 46.974 16.636 6.066
136 HB1 ALA 19 HB1 ALA 19 47.296 13.878 7.302
137 HB2 ALA 19 HB2 ALA 19 45.924 14.987 7.544
138 HB3 ALA 19 HB3 ALA 19 47.542 15.427 8.142
139 H ALA 20 HN ALA 20 48.471 15.448 3.754
140 HA ALA 20 HA ALA 20 51.117 16.240 4.645
141 HB1 ALA 20 HB1 ALA 20 50.604 13.301 4.080
142 HB2 ALA 20 HB2 ALA 20 51.189 14.018 5.600
143 HB3 ALA 20 HB3 ALA 20 52.218 14.047 4.147
144 H LEU 21 HN LEU 21 49.245 14.345 2.251
145 HA LEU 21 HA LEU 21 51.011 14.887 0.052
146 HB2 LEU 21 HB2 LEU 21 49.020 13.169 0.336
147 HB3 LEU 21 HB1 LEU 21 48.024 14.491 -0.310
148 HG LEU 21 HG LEU 21 50.477 13.254 -1.647
149 HD11 LEU 21 HD11 LEU 21 48.814 12.489 -3.325
150 HD12 LEU 21 HD12 LEU 21 47.507 13.196 -2.345
151 HD13 LEU 21 HD13 LEU 21 48.458 11.831 -1.711
152 HD21 LEU 21 HD21 LEU 21 49.585 14.720 -3.612
153 HD22 LEU 21 HD22 LEU 21 50.483 15.539 -2.316
154 HD23 LEU 21 HD23 LEU 21 48.705 15.626 -2.358
155 H THR 22 HN THR 22 47.727 16.244 0.652
156 HA THR 22 HA THR 22 47.924 18.337 -1.237
157 HB THR 22 HB THR 22 46.442 18.459 1.428
158 HG1 THR 22 HG1 THR 22 46.183 16.673 -0.372
159 HG21 THR 22 HG21 THR 22 46.502 20.614 0.321
160 HG22 THR 22 HG22 THR 22 44.891 19.906 0.052
161 HG23 THR 22 HG23 THR 22 46.107 19.873 -1.247
162 H HIS 23 HN HIS 23 47.974 18.954 2.291
163 HA HIS 23 HA HIS 23 49.722 21.312 1.813
164 HB2 HIS 23 HB2 HIS 23 47.688 21.365 3.326
165 HB3 HIS 23 HB1 HIS 23 48.563 20.279 4.431
166 HD1 HIS 23 HD1 HIS 23 49.265 21.739 6.348
167 HD2 HIS 23 HD2 HIS 23 49.936 23.575 2.626
168 HE1 HIS 23 HE1 HIS 23 50.542 23.908 6.787
169 H TYR 24 HN TYR 24 51.678 21.672 2.989
170 HA TYR 24 HA TYR 24 52.890 19.535 4.538
171 HB2 TYR 24 HB2 TYR 24 53.061 18.665 2.146
172 HB3 TYR 24 HB1 TYR 24 54.137 20.043 1.811
173 HD1 TYR 24 HD1 TYR 24 56.339 20.235 2.944
174 HD2 TYR 24 HD2 TYR 24 53.782 16.809 3.549
175 HE1 TYR 24 HE1 TYR 24 58.253 18.979 3.925
176 HE2 TYR 24 HE2 TYR 24 55.698 15.554 4.530
177 HH TYR 24 HH TYR 24 57.894 15.579 4.963
178 H LEU 25 HN LEU 25 52.703 22.663 3.217
179 HA LEU 25 HA LEU 25 55.383 23.576 3.838
180 HB2 LEU 25 HB2 LEU 25 52.880 25.296 3.793
181 HB3 LEU 25 HB1 LEU 25 54.552 25.764 3.402
182 HG LEU 25 HG LEU 25 52.807 23.830 1.813
183 HD11 LEU 25 HD11 LEU 25 52.879 25.586 0.088
184 HD12 LEU 25 HD12 LEU 25 53.885 26.606 1.146
185 HD13 LEU 25 HD13 LEU 25 52.203 26.239 1.600
186 HD21 LEU 25 HD21 LEU 25 55.057 23.057 1.569
187 HD22 LEU 25 HD22 LEU 25 55.712 24.713 1.546
188 HD23 LEU 25 HD23 LEU 25 54.787 24.099 0.154
Start of MODEL 37
1 H1 GLY 1 HT1 GLY 1 63.148 -1.144 -6.291
2 H2 GLY 1 HT2 GLY 1 63.551 -2.795 -6.342
3 H3 GLY 1 HT3 GLY 1 63.012 -2.090 -4.891
4 HA2 GLY 1 HA1 GLY 1 61.522 -2.825 -7.288
5 HA3 GLY 1 HA2 GLY 1 61.164 -3.164 -5.584
6 H TRP 2 HN TRP 2 61.168 -0.707 -8.128
7 HA TRP 2 HA TRP 2 58.778 0.515 -7.006
8 HB2 TRP 2 HB2 TRP 2 59.841 2.792 -6.698
9 HB3 TRP 2 HB1 TRP 2 60.297 1.585 -5.472
10 HD1 TRP 2 HD1 TRP 2 61.650 3.177 -8.722
11 HE1 TRP 2 HE1 TRP 2 64.250 3.087 -8.697
12 HE3 TRP 2 HE3 TRP 2 62.324 0.499 -4.410
13 HZ2 TRP 2 HZ2 TRP 2 66.313 1.989 -7.016
14 HZ3 TRP 2 HZ3 TRP 2 64.617 -0.058 -3.615
15 HH2 TRP 2 HH2 TRP 2 66.610 0.683 -4.912
16 H GLY 3 HN GLY 3 58.678 2.912 -8.191
17 HA2 GLY 3 HA1 GLY 3 58.631 4.037 -10.229
18 HA3 GLY 3 HA2 GLY 3 59.767 2.851 -10.900
19 H SER 4 HN SER 4 58.552 0.485 -10.781
20 HA SER 4 HA SER 4 56.528 0.734 -12.853
21 HB2 SER 4 HB2 SER 4 57.546 -1.637 -11.245
22 HB3 SER 4 HB1 SER 4 56.374 -1.768 -12.576
23 HG SER 4 HG SER 4 57.902 -1.142 -13.988
24 H PHE 5 HN PHE 5 54.352 -0.011 -12.788
25 HA PHE 5 HA PHE 5 52.229 0.089 -11.851
26 HB2 PHE 5 HB2 PHE 5 53.699 -1.437 -9.665
27 HB3 PHE 5 HB1 PHE 5 51.929 -1.314 -9.802
28 HD1 PHE 5 HD1 PHE 5 50.773 -2.190 -11.877
29 HD2 PHE 5 HD2 PHE 5 54.941 -2.958 -11.055
30 HE1 PHE 5 HE1 PHE 5 50.755 -4.059 -13.525
31 HE2 PHE 5 HE2 PHE 5 54.921 -4.827 -12.702
32 HZ PHE 5 HZ PHE 5 52.841 -5.346 -13.972
33 H PHE 6 HN PHE 6 51.258 0.281 -9.268
34 HA PHE 6 HA PHE 6 52.565 2.654 -8.024
35 HB2 PHE 6 HB2 PHE 6 50.329 3.847 -8.016
36 HB3 PHE 6 HB1 PHE 6 51.109 3.734 -9.612
37 HD1 PHE 6 HD1 PHE 6 50.144 2.403 -11.391
38 HD2 PHE 6 HD2 PHE 6 48.427 2.335 -7.431
39 HE1 PHE 6 HE1 PHE 6 48.142 1.217 -12.280
40 HE2 PHE 6 HE2 PHE 6 46.425 1.147 -8.320
41 HZ PHE 6 HZ PHE 6 46.253 0.649 -10.756
42 H LYS 7 HN LYS 7 50.817 3.404 -6.193
43 HA LYS 7 HA LYS 7 49.370 1.231 -4.943
44 HB2 LYS 7 HB2 LYS 7 51.807 0.557 -4.576
45 HB3 LYS 7 HB1 LYS 7 51.962 2.006 -3.556
46 HG2 LYS 7 HG2 LYS 7 50.163 1.206 -2.087
47 HG3 LYS 7 HG1 LYS 7 49.910 -0.212 -3.135
48 HD2 LYS 7 HD2 LYS 7 52.306 -0.875 -2.707
49 HD3 LYS 7 HD1 LYS 7 52.416 0.457 -1.531
50 HE2 LYS 7 HE2 LYS 7 51.889 -1.709 -0.423
51 HE3 LYS 7 HE1 LYS 7 50.574 -0.527 -0.218
52 HZ1 LYS 7 HZ1 LYS 7 50.335 -2.122 -2.605
53 HZ2 LYS 7 HZ2 LYS 7 49.181 -1.779 -1.406
54 HZ3 LYS 7 HZ3 LYS 7 50.291 -3.047 -1.183
55 H LYS 8 HN LYS 8 48.203 3.431 -5.405
56 HA LYS 8 HA LYS 8 48.717 5.587 -3.533
57 HB2 LYS 8 HB2 LYS 8 46.217 4.921 -5.140
58 HB3 LYS 8 HB1 LYS 8 46.553 6.468 -4.325
59 HG2 LYS 8 HG2 LYS 8 48.682 6.620 -5.709
60 HG3 LYS 8 HG1 LYS 8 48.095 5.219 -6.636
61 HD2 LYS 8 HD2 LYS 8 45.973 6.512 -7.107
62 HD3 LYS 8 HD1 LYS 8 46.735 7.930 -6.346
63 HE2 LYS 8 HE2 LYS 8 47.770 6.408 -8.778
64 HE3 LYS 8 HE1 LYS 8 47.047 8.035 -8.779
65 HZ1 LYS 8 HZ1 LYS 8 48.919 8.485 -7.037
66 HZ2 LYS 8 HZ2 LYS 8 49.270 8.524 -8.699
67 HZ3 LYS 8 HZ3 LYS 8 49.672 7.156 -7.774
68 H ALA 9 HN ALA 9 47.317 2.500 -3.218
69 HA ALA 9 HA ALA 9 45.329 3.190 -1.189
70 HB1 ALA 9 HB1 ALA 9 45.235 1.153 -2.646
71 HB2 ALA 9 HB2 ALA 9 45.101 0.801 -0.906
72 HB3 ALA 9 HB3 ALA 9 46.636 0.509 -1.758
73 H ALA 10 HN ALA 10 47.099 4.608 -0.111
74 HA ALA 10 HA ALA 10 47.822 3.272 2.348
75 HB1 ALA 10 HB1 ALA 10 50.212 3.298 2.196
76 HB2 ALA 10 HB2 ALA 10 50.164 4.112 0.615
77 HB3 ALA 10 HB3 ALA 10 49.609 2.428 0.768
78 H HIS 11 HN HIS 11 46.284 5.306 2.346
79 HA HIS 11 HA HIS 11 47.551 7.896 2.147
80 HB2 HIS 11 HB2 HIS 11 45.091 7.108 3.758
81 HB3 HIS 11 HB1 HIS 11 45.526 8.740 3.195
82 HD1 HIS 11 HD1 HIS 11 43.580 5.809 2.258
83 HD2 HIS 11 HD2 HIS 11 45.764 8.718 0.150
84 HE1 HIS 11 HE1 HIS 11 42.751 5.780 -0.159
85 H ALA 12 HN ALA 12 45.992 7.999 5.079
86 HA ALA 12 HA ALA 12 46.781 8.418 7.220
87 HB1 ALA 12 HB1 ALA 12 47.099 5.929 7.058
88 HB2 ALA 12 HB2 ALA 12 48.206 6.736 8.196
89 HB3 ALA 12 HB3 ALA 12 48.790 6.230 6.592
90 H GLY 13 HN GLY 13 47.624 10.435 7.237
91 HA2 GLY 13 HA1 GLY 13 49.240 12.089 7.217
92 HA3 GLY 13 HA2 GLY 13 50.390 10.806 7.645
93 H LYS 14 HN LYS 14 48.444 11.438 4.700
94 HA LYS 14 HA LYS 14 50.767 12.249 3.157
95 HB2 LYS 14 HB2 LYS 14 51.118 9.739 3.457
96 HB3 LYS 14 HB1 LYS 14 49.646 9.503 2.485
97 HG2 LYS 14 HG2 LYS 14 50.767 11.022 0.716
98 HG3 LYS 14 HG1 LYS 14 52.269 10.803 1.646
99 HD2 LYS 14 HD2 LYS 14 50.564 8.542 0.510
100 HD3 LYS 14 HD1 LYS 14 52.067 9.155 -0.218
101 HE2 LYS 14 HE2 LYS 14 53.172 8.648 2.075
102 HE3 LYS 14 HE1 LYS 14 51.706 7.697 2.423
103 HZ1 LYS 14 HZ1 LYS 14 53.248 6.217 1.476
104 HZ2 LYS 14 HZ2 LYS 14 53.669 7.296 0.233
105 HZ3 LYS 14 HZ3 LYS 14 52.140 6.555 0.238
106 H HIS 15 HN HIS 15 50.202 13.105 1.185
107 HA HIS 15 HA HIS 15 48.742 14.131 -0.298
108 HB2 HIS 15 HB2 HIS 15 47.408 11.409 -0.033
109 HB3 HIS 15 HB1 HIS 15 46.989 12.615 -1.272
110 HD1 HIS 15 HD1 HIS 15 49.764 13.672 -2.050
111 HD2 HIS 15 HD2 HIS 15 48.867 9.593 -1.560
112 HE1 HIS 15 HE1 HIS 15 51.521 12.345 -3.345
113 H ALA 16 HN ALA 16 46.103 12.177 0.988
114 HA ALA 16 HA ALA 16 44.868 14.690 2.126
115 HB1 ALA 16 HB1 ALA 16 42.728 13.808 1.504
116 HB2 ALA 16 HB2 ALA 16 43.439 12.239 1.054
117 HB3 ALA 16 HB3 ALA 16 43.785 13.687 0.078
118 H GLY 17 HN GLY 17 46.333 13.848 3.997
119 HA2 GLY 17 HA1 GLY 17 45.280 11.540 5.455
120 HA3 GLY 17 HA2 GLY 17 46.519 12.683 6.009
121 H LYS 18 HN LYS 18 43.524 13.962 4.798
122 HA LYS 18 HA LYS 18 41.864 15.175 5.870
123 HB2 LYS 18 HB2 LYS 18 42.240 13.173 8.130
124 HB3 LYS 18 HB1 LYS 18 40.785 14.134 7.771
125 HG2 LYS 18 HG2 LYS 18 40.774 12.987 5.465
126 HG3 LYS 18 HG1 LYS 18 41.983 11.866 6.134
127 HD2 LYS 18 HD2 LYS 18 39.183 12.367 7.240
128 HD3 LYS 18 HD1 LYS 18 39.729 10.911 6.378
129 HE2 LYS 18 HE2 LYS 18 41.544 10.731 8.240
130 HE3 LYS 18 HE1 LYS 18 40.530 11.889 9.137
131 HZ1 LYS 18 HZ1 LYS 18 39.401 10.098 9.787
132 HZ2 LYS 18 HZ2 LYS 18 40.098 9.096 8.606
133 HZ3 LYS 18 HZ3 LYS 18 38.748 10.054 8.222
134 H ALA 19 HN ALA 19 44.942 15.352 6.679
135 HA ALA 19 HA ALA 19 44.545 17.681 8.388
136 HB1 ALA 19 HB1 ALA 19 44.361 15.749 10.008
137 HB2 ALA 19 HB2 ALA 19 45.670 16.904 10.360
138 HB3 ALA 19 HB3 ALA 19 46.042 15.337 9.600
139 H ALA 20 HN ALA 20 46.620 15.283 6.843
140 HA ALA 20 HA ALA 20 49.132 16.526 7.142
141 HB1 ALA 20 HB1 ALA 20 47.945 14.975 4.819
142 HB2 ALA 20 HB2 ALA 20 48.967 14.353 6.137
143 HB3 ALA 20 HB3 ALA 20 49.658 15.449 4.915
144 H LEU 21 HN LEU 21 48.173 16.567 3.813
145 HA LEU 21 HA LEU 21 48.923 19.404 3.615
146 HB2 LEU 21 HB2 LEU 21 47.759 17.652 1.423
147 HB3 LEU 21 HB1 LEU 21 48.809 19.080 1.256
148 HG LEU 21 HG LEU 21 49.583 16.391 2.474
149 HD11 LEU 21 HD11 LEU 21 51.135 16.304 0.528
150 HD12 LEU 21 HD12 LEU 21 50.459 17.841 -0.065
151 HD13 LEU 21 HD13 LEU 21 49.435 16.387 0.010
152 HD21 LEU 21 HD21 LEU 21 51.028 19.066 2.281
153 HD22 LEU 21 HD22 LEU 21 51.925 17.534 2.402
154 HD23 LEU 21 HD23 LEU 21 50.818 18.018 3.704
155 H THR 22 HN THR 22 46.097 17.760 4.410
156 HA THR 22 HA THR 22 44.064 19.081 2.981
157 HB THR 22 HB THR 22 44.037 18.380 5.952
158 HG1 THR 22 HG1 THR 22 43.698 16.395 5.316
159 HG21 THR 22 HG21 THR 22 42.164 19.799 5.432
160 HG22 THR 22 HG22 THR 22 41.549 18.128 5.452
161 HG23 THR 22 HG23 THR 22 41.861 18.945 3.901
162 H HIS 23 HN HIS 23 44.813 19.987 6.360
163 HA HIS 23 HA HIS 23 43.934 22.744 5.818
164 HB2 HIS 23 HB2 HIS 23 45.194 21.604 8.340
165 HB3 HIS 23 HB1 HIS 23 44.210 23.080 8.190
166 HD1 HIS 23 HD1 HIS 23 41.779 22.310 6.693
167 HD2 HIS 23 HD2 HIS 23 43.588 19.622 9.374
168 HE1 HIS 23 HE1 HIS 23 39.994 20.627 7.404
169 H TYR 24 HN TYR 24 45.741 23.978 7.732
170 HA TYR 24 HA TYR 24 47.745 24.907 5.927
171 HB2 TYR 24 HB2 TYR 24 47.813 24.994 8.968
172 HB3 TYR 24 HB1 TYR 24 48.679 26.069 7.845
173 HD1 TYR 24 HD1 TYR 24 45.462 25.312 9.445
174 HD2 TYR 24 HD2 TYR 24 47.406 27.662 6.390
175 HE1 TYR 24 HE1 TYR 24 43.473 26.809 9.329
176 HE2 TYR 24 HE2 TYR 24 45.417 29.158 6.275
177 HH TYR 24 HH TYR 24 42.865 28.738 6.734
178 H LEU 25 HN LEU 25 49.694 24.185 5.361
179 HA LEU 25 HA LEU 25 51.510 22.748 5.229
180 HB2 LEU 25 HB2 LEU 25 51.356 22.470 8.248
181 HB3 LEU 25 HB1 LEU 25 52.796 22.485 7.201
182 HG LEU 25 HG LEU 25 50.939 24.835 7.784
183 HD11 LEU 25 HD11 LEU 25 52.576 24.175 9.577
184 HD12 LEU 25 HD12 LEU 25 52.895 25.788 8.893
185 HD13 LEU 25 HD13 LEU 25 53.894 24.398 8.403
186 HD21 LEU 25 HD21 LEU 25 53.284 24.498 5.866
187 HD22 LEU 25 HD22 LEU 25 52.760 26.094 6.455
188 HD23 LEU 25 HD23 LEU 25 51.645 25.087 5.503
Start of MODEL 38
1 H1 GLY 1 HT1 GLY 1 57.941 -2.472 -16.403
2 H2 GLY 1 HT2 GLY 1 58.250 -3.546 -15.123
3 H3 GLY 1 HT3 GLY 1 58.323 -4.089 -16.732
4 HA2 GLY 1 HA1 GLY 1 60.485 -3.693 -15.596
5 HA3 GLY 1 HA2 GLY 1 60.246 -2.946 -17.189
6 H TRP 2 HN TRP 2 58.215 -1.364 -15.113
7 HA TRP 2 HA TRP 2 59.532 1.110 -15.239
8 HB2 TRP 2 HB2 TRP 2 57.640 0.056 -13.102
9 HB3 TRP 2 HB1 TRP 2 58.090 1.766 -13.302
10 HD1 TRP 2 HD1 TRP 2 56.245 -1.086 -15.100
11 HE1 TRP 2 HE1 TRP 2 54.640 -0.085 -16.885
12 HE3 TRP 2 HE3 TRP 2 57.629 3.832 -14.764
13 HZ2 TRP 2 HZ2 TRP 2 54.061 2.508 -17.994
14 HZ3 TRP 2 HZ3 TRP 2 56.537 5.552 -16.196
15 HH2 TRP 2 HH2 TRP 2 54.756 4.896 -17.808
16 H GLY 3 HN GLY 3 59.593 -1.297 -12.580
17 HA2 GLY 3 HA1 GLY 3 62.319 -0.797 -11.925
18 HA3 GLY 3 HA2 GLY 3 61.300 0.185 -10.855
19 H SER 4 HN SER 4 59.147 -1.373 -10.349
20 HA SER 4 HA SER 4 59.876 -4.108 -9.709
21 HB2 SER 4 HB2 SER 4 59.783 -3.784 -7.202
22 HB3 SER 4 HB1 SER 4 61.243 -3.134 -7.979
23 HG SER 4 HG SER 4 60.540 -1.489 -6.747
24 H PHE 5 HN PHE 5 58.100 -2.423 -7.261
25 HA PHE 5 HA PHE 5 55.500 -2.634 -8.624
26 HB2 PHE 5 HB2 PHE 5 56.236 -4.532 -6.360
27 HB3 PHE 5 HB1 PHE 5 54.579 -4.249 -6.943
28 HD1 PHE 5 HD1 PHE 5 53.914 -4.915 -9.244
29 HD2 PHE 5 HD2 PHE 5 57.835 -5.808 -7.676
30 HE1 PHE 5 HE1 PHE 5 54.276 -6.556 -11.084
31 HE2 PHE 5 HE2 PHE 5 58.195 -7.450 -9.516
32 HZ PHE 5 HZ PHE 5 56.457 -7.746 -11.275
33 H PHE 6 HN PHE 6 57.628 -1.484 -6.265
34 HA PHE 6 HA PHE 6 57.390 0.044 -4.537
35 HB2 PHE 6 HB2 PHE 6 54.769 0.854 -5.840
36 HB3 PHE 6 HB1 PHE 6 55.916 1.867 -4.929
37 HD1 PHE 6 HD1 PHE 6 58.173 2.396 -5.907
38 HD2 PHE 6 HD2 PHE 6 55.102 0.391 -8.183
39 HE1 PHE 6 HE1 PHE 6 59.384 2.936 -8.017
40 HE2 PHE 6 HE2 PHE 6 56.314 0.931 -10.293
41 HZ PHE 6 HZ PHE 6 58.491 2.139 -10.202
42 H LYS 7 HN LYS 7 54.874 1.124 -3.496
43 HA LYS 7 HA LYS 7 53.296 -1.134 -2.522
44 HB2 LYS 7 HB2 LYS 7 55.459 -1.276 -1.178
45 HB3 LYS 7 HB1 LYS 7 55.027 0.302 -0.475
46 HG2 LYS 7 HG2 LYS 7 52.799 -0.714 0.206
47 HG3 LYS 7 HG1 LYS 7 53.440 -2.295 -0.304
48 HD2 LYS 7 HD2 LYS 7 55.333 -2.033 1.283
49 HD3 LYS 7 HD1 LYS 7 54.667 -0.468 1.808
50 HE2 LYS 7 HE2 LYS 7 52.522 -1.695 2.412
51 HE3 LYS 7 HE1 LYS 7 53.394 -3.218 2.112
52 HZ1 LYS 7 HZ1 LYS 7 54.823 -2.837 3.876
53 HZ2 LYS 7 HZ2 LYS 7 53.345 -2.259 4.483
54 HZ3 LYS 7 HZ3 LYS 7 54.520 -1.169 3.921
55 H LYS 8 HN LYS 8 51.789 0.380 -3.548
56 HA LYS 8 HA LYS 8 51.357 3.032 -2.619
57 HB2 LYS 8 HB2 LYS 8 49.433 0.966 -3.751
58 HB3 LYS 8 HB1 LYS 8 49.005 2.671 -3.471
59 HG2 LYS 8 HG2 LYS 8 50.860 3.381 -4.955
60 HG3 LYS 8 HG1 LYS 8 51.278 1.675 -5.245
61 HD2 LYS 8 HD2 LYS 8 48.946 1.315 -6.127
62 HD3 LYS 8 HD1 LYS 8 48.664 3.066 -5.973
63 HE2 LYS 8 HE2 LYS 8 50.691 3.440 -7.446
64 HE3 LYS 8 HE1 LYS 8 50.745 1.681 -7.718
65 HZ1 LYS 8 HZ1 LYS 8 49.314 3.431 -9.192
66 HZ2 LYS 8 HZ2 LYS 8 48.136 2.868 -8.105
67 HZ3 LYS 8 HZ3 LYS 8 48.990 1.770 -9.081
68 H ALA 9 HN ALA 9 51.053 3.639 -0.577
69 HA ALA 9 HA ALA 9 50.108 1.908 1.490
70 HB1 ALA 9 HB1 ALA 9 50.248 4.930 1.261
71 HB2 ALA 9 HB2 ALA 9 51.399 3.838 2.070
72 HB3 ALA 9 HB3 ALA 9 49.772 4.082 2.752
73 H ALA 10 HN ALA 10 48.322 4.849 1.489
74 HA ALA 10 HA ALA 10 45.937 3.898 0.166
75 HB1 ALA 10 HB1 ALA 10 44.538 3.491 2.128
76 HB2 ALA 10 HB2 ALA 10 45.933 3.760 3.201
77 HB3 ALA 10 HB3 ALA 10 45.909 2.358 2.103
78 H HIS 11 HN HIS 11 47.851 6.155 1.761
79 HA HIS 11 HA HIS 11 45.810 8.085 2.487
80 HB2 HIS 11 HB2 HIS 11 48.714 8.642 1.789
81 HB3 HIS 11 HB1 HIS 11 47.637 9.609 2.824
82 HD1 HIS 11 HD1 HIS 11 50.297 8.537 3.985
83 HD2 HIS 11 HD2 HIS 11 46.668 6.421 4.181
84 HE1 HIS 11 HE1 HIS 11 50.461 6.925 5.959
85 H ALA 12 HN ALA 12 44.762 9.553 1.293
86 HA ALA 12 HA ALA 12 45.852 10.654 -1.151
87 HB1 ALA 12 HB1 ALA 12 44.413 9.642 -2.778
88 HB2 ALA 12 HB2 ALA 12 43.514 8.759 -1.522
89 HB3 ALA 12 HB3 ALA 12 45.200 8.322 -1.883
90 H GLY 13 HN GLY 13 43.830 10.607 1.466
91 HA2 GLY 13 HA1 GLY 13 42.789 13.186 1.050
92 HA3 GLY 13 HA2 GLY 13 41.550 12.057 0.468
93 H LYS 14 HN LYS 14 43.846 12.094 3.233
94 HA LYS 14 HA LYS 14 41.698 12.390 5.168
95 HB2 LYS 14 HB2 LYS 14 41.333 10.022 4.477
96 HB3 LYS 14 HB1 LYS 14 43.005 9.649 4.958
97 HG2 LYS 14 HG2 LYS 14 42.547 10.262 7.267
98 HG3 LYS 14 HG1 LYS 14 40.923 10.849 6.832
99 HD2 LYS 14 HD2 LYS 14 40.302 8.552 6.100
100 HD3 LYS 14 HD1 LYS 14 41.913 7.973 6.592
101 HE2 LYS 14 HE2 LYS 14 40.319 7.515 8.391
102 HE3 LYS 14 HE1 LYS 14 41.444 8.789 8.921
103 HZ1 LYS 14 HZ1 LYS 14 39.788 10.248 9.074
104 HZ2 LYS 14 HZ2 LYS 14 38.715 8.940 8.928
105 HZ3 LYS 14 HZ3 LYS 14 39.152 9.840 7.556
106 H HIS 15 HN HIS 15 44.658 10.380 5.276
107 HA HIS 15 HA HIS 15 45.622 11.882 7.600
108 HB2 HIS 15 HB2 HIS 15 45.981 9.440 7.354
109 HB3 HIS 15 HB1 HIS 15 46.988 9.743 5.917
110 HD1 HIS 15 HD1 HIS 15 49.428 9.928 6.373
111 HD2 HIS 15 HD2 HIS 15 47.121 11.055 9.705
112 HE1 HIS 15 HE1 HIS 15 51.049 10.467 8.273
113 H ALA 16 HN ALA 16 45.529 12.660 4.413
114 HA ALA 16 HA ALA 16 47.590 14.683 4.706
115 HB1 ALA 16 HB1 ALA 16 49.113 12.865 4.253
116 HB2 ALA 16 HB2 ALA 16 49.000 13.878 2.794
117 HB3 ALA 16 HB3 ALA 16 48.130 12.327 2.870
118 H GLY 17 HN GLY 17 44.951 14.994 4.236
119 HA2 GLY 17 HA1 GLY 17 44.357 15.073 1.380
120 HA3 GLY 17 HA2 GLY 17 43.374 15.745 2.696
121 H LYS 18 HN LYS 18 46.781 16.531 2.277
122 HA LYS 18 HA LYS 18 47.786 18.600 1.946
123 HB2 LYS 18 HB2 LYS 18 45.573 18.741 -0.138
124 HB3 LYS 18 HB1 LYS 18 46.937 19.881 -0.044
125 HG2 LYS 18 HG2 LYS 18 48.511 17.921 -0.213
126 HG3 LYS 18 HG1 LYS 18 47.101 16.867 -0.476
127 HD2 LYS 18 HD2 LYS 18 46.477 18.175 -2.476
128 HD3 LYS 18 HD1 LYS 18 47.862 19.261 -2.206
129 HE2 LYS 18 HE2 LYS 18 48.137 16.252 -2.592
130 HE3 LYS 18 HE1 LYS 18 48.271 17.430 -3.921
131 HZ1 LYS 18 HZ1 LYS 18 50.163 16.767 -1.863
132 HZ2 LYS 18 HZ2 LYS 18 49.889 18.441 -1.971
133 HZ3 LYS 18 HZ3 LYS 18 50.403 17.571 -3.338
134 H ALA 19 HN ALA 19 45.149 18.305 3.648
135 HA ALA 19 HA ALA 19 45.157 21.089 4.516
136 HB1 ALA 19 HB1 ALA 19 42.610 20.001 3.267
137 HB2 ALA 19 HB2 ALA 19 43.672 21.220 2.522
138 HB3 ALA 19 HB3 ALA 19 42.822 21.590 4.042
139 H ALA 20 HN ALA 20 44.262 17.765 4.716
140 HA ALA 20 HA ALA 20 42.588 17.989 7.084
141 HB1 ALA 20 HB1 ALA 20 42.373 16.047 5.677
142 HB2 ALA 20 HB2 ALA 20 43.029 15.515 7.244
143 HB3 ALA 20 HB3 ALA 20 44.106 15.675 5.836
144 H LEU 21 HN LEU 21 45.886 16.621 6.630
145 HA LEU 21 HA LEU 21 46.419 16.804 9.503
146 HB2 LEU 21 HB2 LEU 21 47.341 15.041 7.899
147 HB3 LEU 21 HB1 LEU 21 48.402 16.311 7.254
148 HG LEU 21 HG LEU 21 49.063 16.678 9.806
149 HD11 LEU 21 HD11 LEU 21 47.982 13.820 9.798
150 HD12 LEU 21 HD12 LEU 21 47.423 15.167 10.816
151 HD13 LEU 21 HD13 LEU 21 49.048 14.489 11.053
152 HD21 LEU 21 HD21 LEU 21 50.847 14.941 9.568
153 HD22 LEU 21 HD22 LEU 21 50.635 15.905 8.087
154 HD23 LEU 21 HD23 LEU 21 49.967 14.258 8.181
155 H THR 22 HN THR 22 47.378 18.560 6.552
156 HA THR 22 HA THR 22 49.186 20.346 7.995
157 HB THR 22 HB THR 22 49.224 21.624 5.852
158 HG1 THR 22 HG1 THR 22 46.947 20.177 5.494
159 HG21 THR 22 HG21 THR 22 49.510 18.598 5.722
160 HG22 THR 22 HG22 THR 22 50.784 19.802 6.033
161 HG23 THR 22 HG23 THR 22 50.048 19.681 4.417
162 H HIS 23 HN HIS 23 46.058 20.038 8.479
163 HA HIS 23 HA HIS 23 44.788 22.478 7.910
164 HB2 HIS 23 HB2 HIS 23 43.750 20.448 8.989
165 HB3 HIS 23 HB1 HIS 23 44.527 20.930 10.517
166 HD1 HIS 23 HD1 HIS 23 43.559 22.932 11.802
167 HD2 HIS 23 HD2 HIS 23 41.722 22.310 8.070
168 HE1 HIS 23 HE1 HIS 23 41.470 24.402 11.725
169 H TYR 24 HN TYR 24 45.957 24.332 8.065
170 HA TYR 24 HA TYR 24 46.947 26.154 9.087
171 HB2 TYR 24 HB2 TYR 24 44.863 25.966 10.514
172 HB3 TYR 24 HB1 TYR 24 45.832 25.052 11.695
173 HD1 TYR 24 HD1 TYR 24 47.645 26.130 12.958
174 HD2 TYR 24 HD2 TYR 24 45.261 28.356 10.132
175 HE1 TYR 24 HE1 TYR 24 48.516 28.265 13.904
176 HE2 TYR 24 HE2 TYR 24 46.131 30.490 11.078
177 HH TYR 24 HH TYR 24 47.165 31.011 13.726
178 H LEU 25 HN LEU 25 48.972 26.642 9.694
179 HA LEU 25 HA LEU 25 50.823 24.539 10.274
180 HB2 LEU 25 HB2 LEU 25 50.948 27.568 10.432
181 HB3 LEU 25 HB1 LEU 25 52.330 26.571 10.945
182 HG LEU 25 HG LEU 25 52.382 25.489 8.718
183 HD11 LEU 25 HD11 LEU 25 50.112 25.547 7.984
184 HD12 LEU 25 HD12 LEU 25 50.966 26.661 6.892
185 HD13 LEU 25 HD13 LEU 25 49.988 27.305 8.234
186 HD21 LEU 25 HD21 LEU 25 53.708 27.546 9.131
187 HD22 LEU 25 HD22 LEU 25 52.331 28.540 8.596
188 HD23 LEU 25 HD23 LEU 25 53.158 27.467 7.440
Start of MODEL 39
1 H1 GLY 1 HT1 GLY 1 57.967 -1.448 -6.844
2 H2 GLY 1 HT2 GLY 1 59.530 -0.783 -6.906
3 H3 GLY 1 HT3 GLY 1 59.011 -1.619 -5.521
4 HA2 GLY 1 HA1 GLY 1 60.547 -2.744 -7.221
5 HA3 GLY 1 HA2 GLY 1 59.229 -3.636 -6.438
6 H TRP 2 HN TRP 2 57.170 -3.813 -7.581
7 HA TRP 2 HA TRP 2 57.491 -4.772 -10.215
8 HB2 TRP 2 HB2 TRP 2 54.940 -3.599 -9.046
9 HB3 TRP 2 HB1 TRP 2 55.073 -4.814 -10.339
10 HD1 TRP 2 HD1 TRP 2 56.674 -7.056 -9.451
11 HE1 TRP 2 HE1 TRP 2 56.337 -8.422 -7.264
12 HE3 TRP 2 HE3 TRP 2 54.028 -3.608 -6.744
13 HZ2 TRP 2 HZ2 TRP 2 55.081 -8.038 -4.701
14 HZ3 TRP 2 HZ3 TRP 2 53.271 -4.130 -4.431
15 HH2 TRP 2 HH2 TRP 2 53.793 -6.340 -3.408
16 H GLY 3 HN GLY 3 56.264 -1.593 -9.099
17 HA2 GLY 3 HA1 GLY 3 57.394 -0.224 -11.364
18 HA3 GLY 3 HA2 GLY 3 55.659 -0.497 -11.619
19 H SER 4 HN SER 4 54.669 -0.242 -9.045
20 HA SER 4 HA SER 4 54.505 2.619 -8.818
21 HB2 SER 4 HB2 SER 4 53.286 2.112 -6.687
22 HB3 SER 4 HB1 SER 4 52.676 1.198 -8.083
23 HG SER 4 HG SER 4 54.712 -0.117 -6.891
24 H PHE 5 HN PHE 5 56.261 3.798 -8.330
25 HA PHE 5 HA PHE 5 58.430 2.914 -6.703
26 HB2 PHE 5 HB2 PHE 5 57.427 5.717 -7.341
27 HB3 PHE 5 HB1 PHE 5 58.982 5.362 -6.548
28 HD1 PHE 5 HD1 PHE 5 60.828 4.343 -7.779
29 HD2 PHE 5 HD2 PHE 5 57.025 5.059 -9.688
30 HE1 PHE 5 HE1 PHE 5 61.867 3.923 -10.005
31 HE2 PHE 5 HE2 PHE 5 58.064 4.640 -11.915
32 HZ PHE 5 HZ PHE 5 60.486 4.080 -12.073
33 H PHE 6 HN PHE 6 57.086 5.888 -5.538
34 HA PHE 6 HA PHE 6 57.092 4.881 -2.808
35 HB2 PHE 6 HB2 PHE 6 56.212 7.163 -2.267
36 HB3 PHE 6 HB1 PHE 6 57.690 7.198 -3.256
37 HD1 PHE 6 HD1 PHE 6 54.042 7.791 -3.212
38 HD2 PHE 6 HD2 PHE 6 57.611 7.816 -5.638
39 HE1 PHE 6 HE1 PHE 6 52.840 9.093 -4.964
40 HE2 PHE 6 HE2 PHE 6 56.410 9.116 -7.392
41 HZ PHE 6 HZ PHE 6 54.040 9.801 -7.031
42 H LYS 7 HN LYS 7 54.901 6.072 -1.619
43 HA LYS 7 HA LYS 7 52.932 4.090 -1.758
44 HB2 LYS 7 HB2 LYS 7 52.640 7.036 -1.057
45 HB3 LYS 7 HB1 LYS 7 51.400 5.799 -0.737
46 HG2 LYS 7 HG2 LYS 7 52.898 4.569 0.717
47 HG3 LYS 7 HG1 LYS 7 54.271 5.609 0.266
48 HD2 LYS 7 HD2 LYS 7 53.094 7.569 1.250
49 HD3 LYS 7 HD1 LYS 7 51.754 6.503 1.738
50 HE2 LYS 7 HE2 LYS 7 54.656 6.203 2.630
51 HE3 LYS 7 HE1 LYS 7 53.343 6.894 3.614
52 HZ1 LYS 7 HZ1 LYS 7 54.025 4.195 3.273
53 HZ2 LYS 7 HZ2 LYS 7 52.487 4.426 2.587
54 HZ3 LYS 7 HZ3 LYS 7 52.771 4.852 4.207
55 H LYS 8 HN LYS 8 50.527 4.595 -2.335
56 HA LYS 8 HA LYS 8 50.092 6.230 -4.702
57 HB2 LYS 8 HB2 LYS 8 51.339 4.360 -5.739
58 HB3 LYS 8 HB1 LYS 8 50.162 3.208 -5.064
59 HG2 LYS 8 HG2 LYS 8 48.371 4.115 -6.386
60 HG3 LYS 8 HG1 LYS 8 49.346 5.525 -6.863
61 HD2 LYS 8 HD2 LYS 8 50.906 4.031 -8.084
62 HD3 LYS 8 HD1 LYS 8 49.921 2.625 -7.615
63 HE2 LYS 8 HE2 LYS 8 48.906 5.007 -9.230
64 HE3 LYS 8 HE1 LYS 8 49.384 3.436 -9.919
65 HZ1 LYS 8 HZ1 LYS 8 46.927 4.165 -8.763
66 HZ2 LYS 8 HZ2 LYS 8 47.625 2.952 -7.799
67 HZ3 LYS 8 HZ3 LYS 8 47.367 2.683 -9.456
68 H ALA 9 HN ALA 9 49.146 4.095 -2.183
69 HA ALA 9 HA ALA 9 46.357 5.026 -2.416
70 HB1 ALA 9 HB1 ALA 9 46.399 3.042 -3.907
71 HB2 ALA 9 HB2 ALA 9 45.378 2.790 -2.471
72 HB3 ALA 9 HB3 ALA 9 46.998 2.058 -2.552
73 H ALA 10 HN ALA 10 49.056 3.697 -0.757
74 HA ALA 10 HA ALA 10 47.800 2.741 1.621
75 HB1 ALA 10 HB1 ALA 10 50.475 4.161 1.407
76 HB2 ALA 10 HB2 ALA 10 50.211 2.452 0.985
77 HB3 ALA 10 HB3 ALA 10 49.965 3.005 2.659
78 H HIS 11 HN HIS 11 48.891 5.991 0.638
79 HA HIS 11 HA HIS 11 46.967 7.211 2.504
80 HB2 HIS 11 HB2 HIS 11 49.954 7.694 2.863
81 HB3 HIS 11 HB1 HIS 11 48.643 8.539 3.720
82 HD1 HIS 11 HD1 HIS 11 50.508 5.267 3.552
83 HD2 HIS 11 HD2 HIS 11 47.354 6.989 5.737
84 HE1 HIS 11 HE1 HIS 11 49.996 3.706 5.509
85 H ALA 12 HN ALA 12 47.233 7.139 -0.325
86 HA ALA 12 HA ALA 12 48.569 9.532 -1.273
87 HB1 ALA 12 HB1 ALA 12 47.496 9.061 -3.372
88 HB2 ALA 12 HB2 ALA 12 46.281 8.027 -2.580
89 HB3 ALA 12 HB3 ALA 12 47.982 7.507 -2.655
90 H GLY 13 HN GLY 13 45.445 8.824 0.130
91 HA2 GLY 13 HA1 GLY 13 44.860 11.670 0.353
92 HA3 GLY 13 HA2 GLY 13 43.809 10.848 -0.818
93 H LYS 14 HN LYS 14 45.105 10.427 2.501
94 HA LYS 14 HA LYS 14 42.458 10.233 3.644
95 HB2 LYS 14 HB2 LYS 14 42.650 8.003 2.441
96 HB3 LYS 14 HB1 LYS 14 43.998 7.613 3.536
97 HG2 LYS 14 HG2 LYS 14 42.472 8.035 5.487
98 HG3 LYS 14 HG1 LYS 14 41.130 8.270 4.340
99 HD2 LYS 14 HD2 LYS 14 41.416 5.991 3.482
100 HD3 LYS 14 HD1 LYS 14 42.833 5.747 4.531
101 HE2 LYS 14 HE2 LYS 14 41.435 6.023 6.535
102 HE3 LYS 14 HE1 LYS 14 40.012 6.354 5.517
103 HZ1 LYS 14 HZ1 LYS 14 39.670 4.172 5.525
104 HZ2 LYS 14 HZ2 LYS 14 41.175 3.850 6.245
105 HZ3 LYS 14 HZ3 LYS 14 41.053 3.999 4.556
106 H HIS 15 HN HIS 15 42.623 10.828 5.714
107 HA HIS 15 HA HIS 15 43.650 11.452 7.702
108 HB2 HIS 15 HB2 HIS 15 45.080 8.816 7.178
109 HB3 HIS 15 HB1 HIS 15 45.159 9.712 8.715
110 HD1 HIS 15 HD1 HIS 15 42.174 10.674 8.825
111 HD2 HIS 15 HD2 HIS 15 43.360 6.746 7.905
112 HE1 HIS 15 HE1 HIS 15 40.217 9.133 9.396
113 H ALA 16 HN ALA 16 46.564 9.748 6.680
114 HA ALA 16 HA ALA 16 48.084 12.292 6.866
115 HB1 ALA 16 HB1 ALA 16 48.960 9.415 6.433
116 HB2 ALA 16 HB2 ALA 16 48.961 10.301 7.977
117 HB3 ALA 16 HB3 ALA 16 50.050 10.803 6.662
118 H GLY 17 HN GLY 17 46.388 12.478 4.744
119 HA2 GLY 17 HA1 GLY 17 47.542 11.486 2.287
120 HA3 GLY 17 HA2 GLY 17 46.299 12.741 2.443
121 H LYS 18 HN LYS 18 49.139 13.302 4.293
122 HA LYS 18 HA LYS 18 50.778 14.932 4.088
123 HB2 LYS 18 HB2 LYS 18 50.691 14.389 1.100
124 HB3 LYS 18 HB1 LYS 18 52.070 14.945 2.078
125 HG2 LYS 18 HG2 LYS 18 50.706 12.223 2.295
126 HG3 LYS 18 HG1 LYS 18 52.288 12.544 1.547
127 HD2 LYS 18 HD2 LYS 18 52.938 13.576 3.861
128 HD3 LYS 18 HD1 LYS 18 51.504 12.721 4.479
129 HE2 LYS 18 HE2 LYS 18 53.908 11.481 3.075
130 HE3 LYS 18 HE1 LYS 18 53.447 11.286 4.783
131 HZ1 LYS 18 HZ1 LYS 18 51.830 9.830 4.264
132 HZ2 LYS 18 HZ2 LYS 18 52.743 9.586 2.853
133 HZ3 LYS 18 HZ3 LYS 18 51.397 10.621 2.828
134 H ALA 19 HN ALA 19 47.784 15.490 3.460
135 HA ALA 19 HA ALA 19 48.196 18.339 2.932
136 HB1 ALA 19 HB1 ALA 19 48.256 17.447 0.629
137 HB2 ALA 19 HB2 ALA 19 46.813 18.450 0.911
138 HB3 ALA 19 HB3 ALA 19 46.675 16.675 0.893
139 H ALA 20 HN ALA 20 46.203 15.539 3.577
140 HA ALA 20 HA ALA 20 43.757 17.044 4.075
141 HB1 ALA 20 HB1 ALA 20 43.035 14.894 5.168
142 HB2 ALA 20 HB2 ALA 20 44.660 14.247 4.836
143 HB3 ALA 20 HB3 ALA 20 43.593 14.714 3.489
144 H LEU 21 HN LEU 21 46.064 15.327 6.241
145 HA LEU 21 HA LEU 21 44.940 16.344 8.654
146 HB2 LEU 21 HB2 LEU 21 46.432 14.433 8.681
147 HB3 LEU 21 HB1 LEU 21 47.751 15.391 7.977
148 HG LEU 21 HG LEU 21 47.933 16.744 9.996
149 HD11 LEU 21 HD11 LEU 21 45.385 15.277 10.787
150 HD12 LEU 21 HD12 LEU 21 45.702 17.030 10.768
151 HD13 LEU 21 HD13 LEU 21 46.449 16.009 12.014
152 HD21 LEU 21 HD21 LEU 21 47.607 13.823 10.809
153 HD22 LEU 21 HD22 LEU 21 48.671 15.036 11.560
154 HD23 LEU 21 HD23 LEU 21 49.006 14.456 9.910
155 H THR 22 HN THR 22 47.710 17.485 6.680
156 HA THR 22 HA THR 22 48.323 19.730 8.361
157 HB THR 22 HB THR 22 49.558 20.606 6.395
158 HG1 THR 22 HG1 THR 22 49.437 18.999 4.548
159 HG21 THR 22 HG21 THR 22 50.480 18.746 7.828
160 HG22 THR 22 HG22 THR 22 51.109 18.751 6.163
161 HG23 THR 22 HG23 THR 22 49.851 17.584 6.636
162 H HIS 23 HN HIS 23 46.482 19.506 5.283
163 HA HIS 23 HA HIS 23 44.902 20.941 4.375
164 HB2 HIS 23 HB2 HIS 23 43.721 20.267 6.490
165 HB3 HIS 23 HB1 HIS 23 44.372 21.732 7.265
166 HD1 HIS 23 HD1 HIS 23 43.804 22.547 3.801
167 HD2 HIS 23 HD2 HIS 23 41.301 22.140 7.155
168 HE1 HIS 23 HE1 HIS 23 41.647 23.821 3.300
169 H TYR 24 HN TYR 24 47.626 21.904 4.676
170 HA TYR 24 HA TYR 24 48.817 23.890 4.512
171 HB2 TYR 24 HB2 TYR 24 47.184 24.155 2.625
172 HB3 TYR 24 HB1 TYR 24 46.124 25.067 3.726
173 HD1 TYR 24 HD1 TYR 24 49.716 24.970 2.572
174 HD2 TYR 24 HD2 TYR 24 46.391 27.417 3.839
175 HE1 TYR 24 HE1 TYR 24 51.054 27.022 2.123
176 HE2 TYR 24 HE2 TYR 24 47.730 29.468 3.387
177 HH TYR 24 HH TYR 24 50.934 29.611 2.882
178 H LEU 25 HN LEU 25 48.360 23.376 7.081
179 HA LEU 25 HA LEU 25 48.103 24.339 9.179
180 HB2 LEU 25 HB2 LEU 25 48.511 27.025 7.823
181 HB3 LEU 25 HB1 LEU 25 49.036 26.504 9.442
182 HG LEU 25 HG LEU 25 50.102 25.482 6.772
183 HD11 LEU 25 HD11 LEU 25 51.403 27.090 9.017
184 HD12 LEU 25 HD12 LEU 25 50.887 27.744 7.444
185 HD13 LEU 25 HD13 LEU 25 52.202 26.546 7.523
186 HD21 LEU 25 HD21 LEU 25 50.616 24.640 9.656
187 HD22 LEU 25 HD22 LEU 25 51.786 24.320 8.352
188 HD23 LEU 25 HD23 LEU 25 50.155 23.616 8.275
Start of MODEL 40
1 H1 GLY 1 HT1 GLY 1 59.525 10.980 -5.820
2 H2 GLY 1 HT2 GLY 1 60.855 11.190 -6.856
3 H3 GLY 1 HT3 GLY 1 60.672 9.743 -5.983
4 HA2 GLY 1 HA1 GLY 1 60.012 9.963 -8.484
5 HA3 GLY 1 HA2 GLY 1 59.157 8.904 -7.345
6 H TRP 2 HN TRP 2 57.207 9.695 -6.320
7 HA TRP 2 HA TRP 2 55.977 12.160 -7.200
8 HB2 TRP 2 HB2 TRP 2 55.876 10.748 -9.317
9 HB3 TRP 2 HB1 TRP 2 54.805 9.636 -8.430
10 HD1 TRP 2 HD1 TRP 2 52.337 10.338 -8.097
11 HE1 TRP 2 HE1 TRP 2 50.876 12.353 -8.853
12 HE3 TRP 2 HE3 TRP 2 56.045 13.422 -9.811
13 HZ2 TRP 2 HZ2 TRP 2 51.296 14.944 -10.039
14 HZ3 TRP 2 HZ3 TRP 2 55.493 15.661 -10.750
15 HH2 TRP 2 HH2 TRP 2 53.125 16.425 -10.866
16 H GLY 3 HN GLY 3 55.860 8.967 -5.765
17 HA2 GLY 3 HA1 GLY 3 54.411 9.838 -3.489
18 HA3 GLY 3 HA2 GLY 3 53.247 9.116 -4.616
19 H SER 4 HN SER 4 56.548 7.991 -4.610
20 HA SER 4 HA SER 4 57.417 5.904 -4.098
21 HB2 SER 4 HB2 SER 4 55.493 5.883 -1.750
22 HB3 SER 4 HB1 SER 4 57.091 5.114 -1.871
23 HG SER 4 HG SER 4 56.404 7.690 -1.238
24 H PHE 5 HN PHE 5 55.813 3.859 -2.525
25 HA PHE 5 HA PHE 5 54.892 2.325 -4.728
26 HB2 PHE 5 HB2 PHE 5 53.868 2.096 -1.876
27 HB3 PHE 5 HB1 PHE 5 53.990 0.810 -3.100
28 HD1 PHE 5 HD1 PHE 5 55.733 2.619 -0.470
29 HD2 PHE 5 HD2 PHE 5 56.304 0.154 -3.967
30 HE1 PHE 5 HE1 PHE 5 58.061 2.118 0.263
31 HE2 PHE 5 HE2 PHE 5 58.632 -0.347 -3.233
32 HZ PHE 5 HZ PHE 5 59.493 0.596 -1.093
33 H PHE 6 HN PHE 6 52.467 1.351 -4.454
34 HA PHE 6 HA PHE 6 50.438 3.402 -3.987
35 HB2 PHE 6 HB2 PHE 6 49.652 3.567 -6.312
36 HB3 PHE 6 HB1 PHE 6 51.323 4.165 -6.172
37 HD1 PHE 6 HD1 PHE 6 53.215 2.866 -7.061
38 HD2 PHE 6 HD2 PHE 6 49.155 1.453 -7.445
39 HE1 PHE 6 HE1 PHE 6 53.957 1.195 -8.754
40 HE2 PHE 6 HE2 PHE 6 49.897 -0.218 -9.140
41 HZ PHE 6 HZ PHE 6 52.311 -0.402 -9.730
42 H LYS 7 HN LYS 7 51.541 0.238 -4.811
43 HA LYS 7 HA LYS 7 49.072 -1.027 -5.467
44 HB2 LYS 7 HB2 LYS 7 51.501 -2.122 -3.991
45 HB3 LYS 7 HB1 LYS 7 50.193 -3.108 -4.687
46 HG2 LYS 7 HG2 LYS 7 50.675 -2.153 -6.931
47 HG3 LYS 7 HG1 LYS 7 52.006 -1.202 -6.230
48 HD2 LYS 7 HD2 LYS 7 53.092 -3.322 -5.480
49 HD3 LYS 7 HD1 LYS 7 51.789 -4.244 -6.267
50 HE2 LYS 7 HE2 LYS 7 52.387 -3.065 -8.435
51 HE3 LYS 7 HE1 LYS 7 53.811 -2.396 -7.602
52 HZ1 LYS 7 HZ1 LYS 7 54.561 -4.634 -7.137
53 HZ2 LYS 7 HZ2 LYS 7 54.320 -4.445 -8.809
54 HZ3 LYS 7 HZ3 LYS 7 53.183 -5.295 -7.875
55 H LYS 8 HN LYS 8 50.773 -0.975 -2.292
56 HA LYS 8 HA LYS 8 48.721 -2.155 -0.776
57 HB2 LYS 8 HB2 LYS 8 50.703 0.021 -0.001
58 HB3 LYS 8 HB1 LYS 8 49.705 -0.885 1.162
59 HG2 LYS 8 HG2 LYS 8 50.700 -3.022 0.145
60 HG3 LYS 8 HG1 LYS 8 51.858 -1.968 -0.699
61 HD2 LYS 8 HD2 LYS 8 51.441 -2.082 2.323
62 HD3 LYS 8 HD1 LYS 8 52.792 -2.828 1.438
63 HE2 LYS 8 HE2 LYS 8 53.718 -0.779 2.154
64 HE3 LYS 8 HE1 LYS 8 53.188 -0.393 0.500
65 HZ1 LYS 8 HZ1 LYS 8 52.358 0.766 2.926
66 HZ2 LYS 8 HZ2 LYS 8 51.016 0.001 2.218
67 HZ3 LYS 8 HZ3 LYS 8 51.888 1.170 1.348
68 H ALA 9 HN ALA 9 49.308 1.179 0.116
69 HA ALA 9 HA ALA 9 46.860 2.266 -0.964
70 HB1 ALA 9 HB1 ALA 9 46.817 1.447 1.963
71 HB2 ALA 9 HB2 ALA 9 45.828 0.742 0.661
72 HB3 ALA 9 HB3 ALA 9 45.588 2.438 1.142
73 H ALA 10 HN ALA 10 48.575 3.789 -1.470
74 HA ALA 10 HA ALA 10 50.160 5.144 0.425
75 HB1 ALA 10 HB1 ALA 10 50.482 5.442 -1.957
76 HB2 ALA 10 HB2 ALA 10 50.144 7.028 -1.220
77 HB3 ALA 10 HB3 ALA 10 48.868 6.174 -2.122
78 H HIS 11 HN HIS 11 46.850 5.911 -0.715
79 HA HIS 11 HA HIS 11 46.599 8.224 1.021
80 HB2 HIS 11 HB2 HIS 11 44.136 7.974 0.450
81 HB3 HIS 11 HB1 HIS 11 45.225 8.119 -0.950
82 HD1 HIS 11 HD1 HIS 11 42.843 5.794 0.760
83 HD2 HIS 11 HD2 HIS 11 45.727 5.570 -2.292
84 HE1 HIS 11 HE1 HIS 11 42.438 3.617 -0.513
85 H ALA 12 HN ALA 12 47.150 7.601 3.117
86 HA ALA 12 HA ALA 12 45.928 5.319 4.416
87 HB1 ALA 12 HB1 ALA 12 47.254 7.795 5.575
88 HB2 ALA 12 HB2 ALA 12 48.061 6.261 5.168
89 HB3 ALA 12 HB3 ALA 12 46.858 6.316 6.479
90 H GLY 13 HN GLY 13 45.497 8.848 4.981
91 HA2 GLY 13 HA1 GLY 13 43.175 8.537 6.603
92 HA3 GLY 13 HA2 GLY 13 43.660 10.018 5.755
93 H LYS 14 HN LYS 14 42.709 10.591 3.841
94 HA LYS 14 HA LYS 14 41.039 8.745 2.340
95 HB2 LYS 14 HB2 LYS 14 39.601 9.187 4.363
96 HB3 LYS 14 HB1 LYS 14 39.586 10.909 3.908
97 HG2 LYS 14 HG2 LYS 14 38.591 10.344 1.724
98 HG3 LYS 14 HG1 LYS 14 38.643 8.612 2.135
99 HD2 LYS 14 HD2 LYS 14 37.169 9.066 4.104
100 HD3 LYS 14 HD1 LYS 14 37.060 10.770 3.599
101 HE2 LYS 14 HE2 LYS 14 35.981 10.164 1.521
102 HE3 LYS 14 HE1 LYS 14 36.285 8.434 1.805
103 HZ1 LYS 14 HZ1 LYS 14 34.703 8.342 3.459
104 HZ2 LYS 14 HZ2 LYS 14 33.985 9.437 2.377
105 HZ3 LYS 14 HZ3 LYS 14 34.756 10.006 3.780
106 H HIS 15 HN HIS 15 42.600 9.683 0.829
107 HA HIS 15 HA HIS 15 43.187 11.197 -0.829
108 HB2 HIS 15 HB2 HIS 15 40.292 12.104 -0.585
109 HB3 HIS 15 HB1 HIS 15 41.357 12.280 -2.000
110 HD1 HIS 15 HD1 HIS 15 42.392 9.826 -2.880
111 HD2 HIS 15 HD2 HIS 15 38.828 9.761 -0.648
112 HE1 HIS 15 HE1 HIS 15 41.236 7.598 -3.354
113 H ALA 16 HN ALA 16 44.655 12.466 0.293
114 HA ALA 16 HA ALA 16 45.468 14.408 1.267
115 HB1 ALA 16 HB1 ALA 16 42.972 15.714 0.139
116 HB2 ALA 16 HB2 ALA 16 44.412 15.325 -0.833
117 HB3 ALA 16 HB3 ALA 16 44.530 16.489 0.510
118 H GLY 17 HN GLY 17 44.453 12.902 3.153
119 HA2 GLY 17 HA1 GLY 17 42.261 14.166 4.604
120 HA3 GLY 17 HA2 GLY 17 43.300 12.845 5.173
121 H LYS 18 HN LYS 18 44.470 15.965 3.977
122 HA LYS 18 HA LYS 18 45.802 17.541 5.033
123 HB2 LYS 18 HB2 LYS 18 43.430 17.820 6.105
124 HB3 LYS 18 HB1 LYS 18 44.158 17.082 7.549
125 HG2 LYS 18 HG2 LYS 18 45.902 18.844 7.577
126 HG3 LYS 18 HG1 LYS 18 45.199 19.569 6.113
127 HD2 LYS 18 HD2 LYS 18 43.138 20.091 7.273
128 HD3 LYS 18 HD1 LYS 18 43.650 19.165 8.705
129 HE2 LYS 18 HE2 LYS 18 45.498 20.734 9.099
130 HE3 LYS 18 HE1 LYS 18 45.076 21.634 7.622
131 HZ1 LYS 18 HZ1 LYS 18 42.769 21.806 8.745
132 HZ2 LYS 18 HZ2 LYS 18 44.020 22.830 9.268
133 HZ3 LYS 18 HZ3 LYS 18 43.608 21.455 10.177
134 H ALA 19 HN ALA 19 46.663 14.771 5.139
135 HA ALA 19 HA ALA 19 48.795 15.065 7.063
136 HB1 ALA 19 HB1 ALA 19 46.637 13.030 7.723
137 HB2 ALA 19 HB2 ALA 19 47.030 14.484 8.668
138 HB3 ALA 19 HB3 ALA 19 48.216 13.164 8.529
139 H ALA 20 HN ALA 20 46.846 13.078 4.901
140 HA ALA 20 HA ALA 20 48.873 11.003 4.592
141 HB1 ALA 20 HB1 ALA 20 47.440 10.335 2.640
142 HB2 ALA 20 HB2 ALA 20 46.420 11.755 2.972
143 HB3 ALA 20 HB3 ALA 20 46.563 10.457 4.182
144 H LEU 21 HN LEU 21 47.490 12.809 1.866
145 HA LEU 21 HA LEU 21 50.082 12.806 0.518
146 HB2 LEU 21 HB2 LEU 21 47.647 14.405 -0.333
147 HB3 LEU 21 HB1 LEU 21 48.914 13.678 -1.349
148 HG LEU 21 HG LEU 21 46.805 12.188 0.276
149 HD11 LEU 21 HD11 LEU 21 46.018 11.457 -1.945
150 HD12 LEU 21 HD12 LEU 21 47.307 12.402 -2.726
151 HD13 LEU 21 HD13 LEU 21 46.009 13.234 -1.837
152 HD21 LEU 21 HD21 LEU 21 49.218 11.235 -1.324
153 HD22 LEU 21 HD22 LEU 21 47.827 10.178 -0.984
154 HD23 LEU 21 HD23 LEU 21 48.789 10.840 0.357
155 H THR 22 HN THR 22 48.890 14.692 2.979
156 HA THR 22 HA THR 22 49.510 17.345 2.136
157 HB THR 22 HB THR 22 49.903 16.245 4.950
158 HG1 THR 22 HG1 THR 22 47.533 17.472 4.199
159 HG21 THR 22 HG21 THR 22 50.735 18.521 4.612
160 HG22 THR 22 HG22 THR 22 49.226 18.577 5.556
161 HG23 THR 22 HG23 THR 22 49.208 18.990 3.825
162 H HIS 23 HN HIS 23 51.497 15.489 4.475
163 HA HIS 23 HA HIS 23 53.792 15.552 4.837
164 HB2 HIS 23 HB2 HIS 23 53.847 15.661 1.794
165 HB3 HIS 23 HB1 HIS 23 55.194 15.175 2.851
166 HD1 HIS 23 HD1 HIS 23 53.851 13.357 4.874
167 HD2 HIS 23 HD2 HIS 23 53.002 13.231 0.758
168 HE1 HIS 23 HE1 HIS 23 52.852 11.059 4.372
169 H TYR 24 HN TYR 24 55.935 16.744 4.109
170 HA TYR 24 HA TYR 24 55.502 19.528 4.697
171 HB2 TYR 24 HB2 TYR 24 57.973 18.174 3.538
172 HB3 TYR 24 HB1 TYR 24 57.915 19.764 4.336
173 HD1 TYR 24 HD1 TYR 24 56.979 19.846 6.763
174 HD2 TYR 24 HD2 TYR 24 58.305 16.214 4.842
175 HE1 TYR 24 HE1 TYR 24 57.233 18.759 8.991
176 HE2 TYR 24 HE2 TYR 24 58.559 15.129 7.070
177 HH TYR 24 HH TYR 24 58.225 16.991 10.059
178 H LEU 25 HN LEU 25 55.186 21.256 3.436
179 HA LEU 25 HA LEU 25 54.711 20.841 0.586
180 HB2 LEU 25 HB2 LEU 25 54.941 23.531 1.974
181 HB3 LEU 25 HB1 LEU 25 53.947 23.086 0.567
182 HG LEU 25 HG LEU 25 53.565 22.133 3.440
183 HD11 LEU 25 HD11 LEU 25 51.506 23.424 3.353
184 HD12 LEU 25 HD12 LEU 25 51.762 23.799 1.632
185 HD13 LEU 25 HD13 LEU 25 52.847 24.486 2.865
186 HD21 LEU 25 HD21 LEU 25 52.940 20.290 2.041
187 HD22 LEU 25 HD22 LEU 25 52.211 21.361 0.820
188 HD23 LEU 25 HD23 LEU 25 51.418 21.137 2.399
Start of MODEL 41
1 H1 GLY 1 HT1 GLY 1 52.560 6.364 -2.007
2 H2 GLY 1 HT2 GLY 1 53.994 7.067 -1.422
3 H3 GLY 1 HT3 GLY 1 53.672 5.422 -1.141
4 HA2 GLY 1 HA1 GLY 1 54.700 4.874 -2.952
5 HA3 GLY 1 HA2 GLY 1 53.511 5.826 -3.864
6 H TRP 2 HN TRP 2 56.752 5.580 -2.742
7 HA TRP 2 HA TRP 2 57.442 8.398 -3.173
8 HB2 TRP 2 HB2 TRP 2 58.681 6.954 -1.580
9 HB3 TRP 2 HB1 TRP 2 59.223 5.940 -2.939
10 HD1 TRP 2 HD1 TRP 2 59.331 9.680 -1.908
11 HE1 TRP 2 HE1 TRP 2 61.576 10.712 -2.719
12 HE3 TRP 2 HE3 TRP 2 61.267 5.603 -4.324
13 HZ2 TRP 2 HZ2 TRP 2 63.882 9.854 -4.216
14 HZ3 TRP 2 HZ3 TRP 2 63.490 5.732 -5.437
15 HH2 TRP 2 HH2 TRP 2 64.798 7.852 -5.384
16 H GLY 3 HN GLY 3 56.357 8.408 -5.359
17 HA2 GLY 3 HA1 GLY 3 56.491 8.344 -7.674
18 HA3 GLY 3 HA2 GLY 3 58.215 8.668 -7.407
19 H SER 4 HN SER 4 55.823 6.001 -7.444
20 HA SER 4 HA SER 4 57.531 4.432 -9.213
21 HB2 SER 4 HB2 SER 4 57.905 2.549 -7.663
22 HB3 SER 4 HB1 SER 4 58.701 4.027 -7.078
23 HG SER 4 HG SER 4 57.260 4.181 -5.493
24 H PHE 5 HN PHE 5 54.846 4.476 -6.862
25 HA PHE 5 HA PHE 5 52.748 3.486 -6.952
26 HB2 PHE 5 HB2 PHE 5 52.582 5.034 -8.895
27 HB3 PHE 5 HB1 PHE 5 53.172 3.734 -9.957
28 HD1 PHE 5 HD1 PHE 5 50.386 4.815 -7.732
29 HD2 PHE 5 HD2 PHE 5 51.744 1.877 -10.588
30 HE1 PHE 5 HE1 PHE 5 48.069 3.913 -7.906
31 HE2 PHE 5 HE2 PHE 5 49.427 0.975 -10.763
32 HZ PHE 5 HZ PHE 5 47.587 2.004 -9.433
33 H PHE 6 HN PHE 6 53.203 1.469 -6.088
34 HA PHE 6 HA PHE 6 54.286 -0.678 -7.731
35 HB2 PHE 6 HB2 PHE 6 54.493 -0.509 -5.219
36 HB3 PHE 6 HB1 PHE 6 52.761 -0.902 -5.108
37 HD1 PHE 6 HD1 PHE 6 52.048 -3.173 -5.174
38 HD2 PHE 6 HD2 PHE 6 56.012 -2.141 -6.540
39 HE1 PHE 6 HE1 PHE 6 52.601 -5.592 -5.401
40 HE2 PHE 6 HE2 PHE 6 56.562 -4.560 -6.767
41 HZ PHE 6 HZ PHE 6 54.871 -6.286 -6.160
42 H LYS 7 HN LYS 7 51.159 -0.655 -5.971
43 HA LYS 7 HA LYS 7 49.624 -1.141 -8.396
44 HB2 LYS 7 HB2 LYS 7 50.816 -3.363 -7.987
45 HB3 LYS 7 HB1 LYS 7 49.859 -3.501 -6.492
46 HG2 LYS 7 HG2 LYS 7 47.780 -3.110 -7.973
47 HG3 LYS 7 HG1 LYS 7 48.854 -3.387 -9.364
48 HD2 LYS 7 HD2 LYS 7 48.347 -5.326 -7.064
49 HD3 LYS 7 HD1 LYS 7 47.738 -5.486 -8.728
50 HE2 LYS 7 HE2 LYS 7 50.238 -5.383 -9.445
51 HE3 LYS 7 HE1 LYS 7 50.597 -5.702 -7.731
52 HZ1 LYS 7 HZ1 LYS 7 50.473 -7.759 -8.964
53 HZ2 LYS 7 HZ2 LYS 7 48.913 -7.384 -9.519
54 HZ3 LYS 7 HZ3 LYS 7 49.182 -7.678 -7.868
55 H LYS 8 HN LYS 8 49.288 -2.493 -5.085
56 HA LYS 8 HA LYS 8 46.600 -1.377 -4.873
57 HB2 LYS 8 HB2 LYS 8 46.669 -2.323 -2.577
58 HB3 LYS 8 HB1 LYS 8 47.157 -3.511 -3.809
59 HG2 LYS 8 HG2 LYS 8 49.554 -2.972 -3.335
60 HG3 LYS 8 HG1 LYS 8 49.025 -1.870 -2.041
61 HD2 LYS 8 HD2 LYS 8 48.012 -3.690 -0.804
62 HD3 LYS 8 HD1 LYS 8 48.274 -4.821 -2.153
63 HE2 LYS 8 HE2 LYS 8 49.969 -5.006 -0.266
64 HE3 LYS 8 HE1 LYS 8 50.673 -4.716 -1.875
65 HZ1 LYS 8 HZ1 LYS 8 51.315 -3.275 0.239
66 HZ2 LYS 8 HZ2 LYS 8 49.976 -2.367 -0.280
67 HZ3 LYS 8 HZ3 LYS 8 51.289 -2.622 -1.326
68 H ALA 9 HN ALA 9 45.865 0.059 -3.188
69 HA ALA 9 HA ALA 9 47.752 1.662 -1.684
70 HB1 ALA 9 HB1 ALA 9 46.536 2.873 -4.189
71 HB2 ALA 9 HB2 ALA 9 48.266 2.650 -3.833
72 HB3 ALA 9 HB3 ALA 9 47.304 3.809 -2.885
73 H ALA 10 HN ALA 10 46.742 2.739 -0.064
74 HA ALA 10 HA ALA 10 43.970 3.582 -0.251
75 HB1 ALA 10 HB1 ALA 10 43.034 2.029 1.401
76 HB2 ALA 10 HB2 ALA 10 44.581 1.147 1.462
77 HB3 ALA 10 HB3 ALA 10 43.614 1.149 -0.033
78 H HIS 11 HN HIS 11 44.809 5.530 0.495
79 HA HIS 11 HA HIS 11 44.961 5.747 3.384
80 HB2 HIS 11 HB2 HIS 11 47.328 6.744 3.350
81 HB3 HIS 11 HB1 HIS 11 47.209 4.973 3.211
82 HD1 HIS 11 HD1 HIS 11 48.932 4.203 1.585
83 HD2 HIS 11 HD2 HIS 11 47.016 7.722 0.303
84 HE1 HIS 11 HE1 HIS 11 49.853 4.770 -0.728
85 H ALA 12 HN ALA 12 43.607 6.826 0.939
86 HA ALA 12 HA ALA 12 44.505 9.510 0.466
87 HB1 ALA 12 HB1 ALA 12 42.941 8.345 -1.018
88 HB2 ALA 12 HB2 ALA 12 42.231 9.867 -0.429
89 HB3 ALA 12 HB3 ALA 12 41.719 8.314 0.273
90 H GLY 13 HN GLY 13 44.735 11.030 1.962
91 HA2 GLY 13 HA1 GLY 13 44.232 12.425 3.736
92 HA3 GLY 13 HA2 GLY 13 42.524 12.052 3.429
93 H LYS 14 HN LYS 14 45.485 10.768 4.977
94 HA LYS 14 HA LYS 14 44.039 10.174 7.417
95 HB2 LYS 14 HB2 LYS 14 43.276 8.296 5.876
96 HB3 LYS 14 HB1 LYS 14 44.967 7.741 5.845
97 HG2 LYS 14 HG2 LYS 14 44.918 7.639 8.363
98 HG3 LYS 14 HG1 LYS 14 43.183 8.029 8.302
99 HD2 LYS 14 HD2 LYS 14 42.818 6.014 6.859
100 HD3 LYS 14 HD1 LYS 14 44.540 5.604 7.045
101 HE2 LYS 14 HE2 LYS 14 42.490 5.845 9.289
102 HE3 LYS 14 HE1 LYS 14 43.208 4.338 8.674
103 HZ1 LYS 14 HZ1 LYS 14 44.756 6.585 9.867
104 HZ2 LYS 14 HZ2 LYS 14 45.364 5.072 9.388
105 HZ3 LYS 14 HZ3 LYS 14 44.295 5.184 10.705
106 H HIS 15 HN HIS 15 46.844 9.594 5.316
107 HA HIS 15 HA HIS 15 48.652 10.315 7.507
108 HB2 HIS 15 HB2 HIS 15 48.233 7.924 8.021
109 HB3 HIS 15 HB1 HIS 15 48.754 7.488 6.375
110 HD1 HIS 15 HD1 HIS 15 50.382 10.128 8.610
111 HD2 HIS 15 HD2 HIS 15 51.205 6.302 7.068
112 HE1 HIS 15 HE1 HIS 15 52.832 9.610 9.123
113 H ALA 16 HN ALA 16 47.821 9.723 4.241
114 HA ALA 16 HA ALA 16 50.463 9.739 3.083
115 HB1 ALA 16 HB1 ALA 16 49.267 10.342 0.994
116 HB2 ALA 16 HB2 ALA 16 47.778 10.588 1.941
117 HB3 ALA 16 HB3 ALA 16 48.511 8.969 1.837
118 H GLY 17 HN GLY 17 48.422 12.183 4.464
119 HA2 GLY 17 HA1 GLY 17 49.013 14.387 4.971
120 HA3 GLY 17 HA2 GLY 17 50.529 14.188 4.072
121 H LYS 18 HN LYS 18 48.514 13.060 1.880
122 HA LYS 18 HA LYS 18 48.621 15.257 0.140
123 HB2 LYS 18 HB2 LYS 18 48.005 12.892 -0.460
124 HB3 LYS 18 HB1 LYS 18 46.393 13.184 0.235
125 HG2 LYS 18 HG2 LYS 18 45.932 14.930 -1.376
126 HG3 LYS 18 HG1 LYS 18 47.610 14.903 -1.969
127 HD2 LYS 18 HD2 LYS 18 47.282 12.543 -2.715
128 HD3 LYS 18 HD1 LYS 18 45.584 12.633 -2.188
129 HE2 LYS 18 HE2 LYS 18 46.861 14.485 -4.247
130 HE3 LYS 18 HE1 LYS 18 45.859 13.068 -4.641
131 HZ1 LYS 18 HZ1 LYS 18 44.439 14.525 -2.766
132 HZ2 LYS 18 HZ2 LYS 18 44.102 14.379 -4.425
133 HZ3 LYS 18 HZ3 LYS 18 45.045 15.673 -3.858
134 H ALA 19 HN ALA 19 46.684 14.836 2.938
135 HA ALA 19 HA ALA 19 45.537 17.477 2.663
136 HB1 ALA 19 HB1 ALA 19 43.175 16.840 2.527
137 HB2 ALA 19 HB2 ALA 19 43.632 15.125 2.383
138 HB3 ALA 19 HB3 ALA 19 44.058 16.273 1.090
139 H ALA 20 HN ALA 20 46.151 14.507 4.256
140 HA ALA 20 HA ALA 20 44.568 15.036 6.648
141 HB1 ALA 20 HB1 ALA 20 45.151 12.764 6.124
142 HB2 ALA 20 HB2 ALA 20 46.012 13.215 7.616
143 HB3 ALA 20 HB3 ALA 20 46.884 13.165 6.064
144 H LEU 21 HN LEU 21 48.104 14.563 6.567
145 HA LEU 21 HA LEU 21 48.514 16.276 8.839
146 HB2 LEU 21 HB2 LEU 21 50.632 15.609 6.768
147 HB3 LEU 21 HB1 LEU 21 50.834 15.885 8.514
148 HG LEU 21 HG LEU 21 49.452 13.516 7.180
149 HD11 LEU 21 HD11 LEU 21 51.866 13.626 9.034
150 HD12 LEU 21 HD12 LEU 21 51.987 13.592 7.259
151 HD13 LEU 21 HD13 LEU 21 51.261 12.219 8.128
152 HD21 LEU 21 HD21 LEU 21 49.622 14.396 10.093
153 HD22 LEU 21 HD22 LEU 21 49.326 12.702 9.632
154 HD23 LEU 21 HD23 LEU 21 48.170 13.966 9.156
155 H THR 22 HN THR 22 47.812 16.985 5.604
156 HA THR 22 HA THR 22 47.973 18.926 4.337
157 HB THR 22 HB THR 22 47.670 21.076 5.651
158 HG1 THR 22 HG1 THR 22 47.075 19.993 7.980
159 HG21 THR 22 HG21 THR 22 45.421 20.469 6.467
160 HG22 THR 22 HG22 THR 22 45.858 18.744 6.408
161 HG23 THR 22 HG23 THR 22 45.754 19.689 4.903
162 H HIS 23 HN HIS 23 50.288 18.057 3.988
163 HA HIS 23 HA HIS 23 52.455 19.471 5.298
164 HB2 HIS 23 HB2 HIS 23 52.283 17.876 2.713
165 HB3 HIS 23 HB1 HIS 23 53.798 18.573 3.332
166 HD1 HIS 23 HD1 HIS 23 52.651 15.410 3.130
167 HD2 HIS 23 HD2 HIS 23 53.568 17.754 6.494
168 HE1 HIS 23 HE1 HIS 23 53.040 13.816 5.087
169 H TYR 24 HN TYR 24 54.059 20.789 3.994
170 HA TYR 24 HA TYR 24 54.452 22.838 2.974
171 HB2 TYR 24 HB2 TYR 24 54.189 21.433 0.964
172 HB3 TYR 24 HB1 TYR 24 52.434 21.731 0.978
173 HD1 TYR 24 HD1 TYR 24 55.775 23.418 0.725
174 HD2 TYR 24 HD2 TYR 24 51.525 23.738 0.037
175 HE1 TYR 24 HE1 TYR 24 56.137 25.539 -0.531
176 HE2 TYR 24 HE2 TYR 24 51.889 25.859 -1.220
177 HH TYR 24 HH TYR 24 53.510 27.600 -1.476
178 H LEU 25 HN LEU 25 53.624 24.218 4.544
179 HA LEU 25 HA LEU 25 52.156 25.763 5.453
180 HB2 LEU 25 HB2 LEU 25 52.596 26.962 3.410
181 HB3 LEU 25 HB1 LEU 25 51.468 25.942 2.495
182 HG LEU 25 HG LEU 25 49.556 26.886 3.643
183 HD11 LEU 25 HD11 LEU 25 50.005 28.777 5.361
184 HD12 LEU 25 HD12 LEU 25 51.661 28.130 5.456
185 HD13 LEU 25 HD13 LEU 25 50.275 27.107 5.908
186 HD21 LEU 25 HD21 LEU 25 50.679 28.222 1.798
187 HD22 LEU 25 HD22 LEU 25 51.471 29.185 3.068
188 HD23 LEU 25 HD23 LEU 25 49.697 29.191 2.921
Start of MODEL 42
1 H1 GLY 1 HT1 GLY 1 58.978 1.984 -14.576
2 H2 GLY 1 HT2 GLY 1 60.655 1.752 -14.717
3 H3 GLY 1 HT3 GLY 1 60.024 3.316 -14.505
4 HA2 GLY 1 HA1 GLY 1 60.286 3.114 -12.374
5 HA3 GLY 1 HA2 GLY 1 59.041 1.852 -12.423
6 H TRP 2 HN TRP 2 61.544 2.216 -10.787
7 HA TRP 2 HA TRP 2 63.343 0.082 -11.688
8 HB2 TRP 2 HB2 TRP 2 63.137 1.503 -9.003
9 HB3 TRP 2 HB1 TRP 2 64.485 0.478 -9.549
10 HD1 TRP 2 HD1 TRP 2 62.690 3.767 -10.480
11 HE1 TRP 2 HE1 TRP 2 64.359 5.328 -11.719
12 HE3 TRP 2 HE3 TRP 2 66.685 0.584 -10.799
13 HZ2 TRP 2 HZ2 TRP 2 67.062 5.182 -12.704
14 HZ3 TRP 2 HZ3 TRP 2 68.800 1.315 -11.892
15 HH2 TRP 2 HH2 TRP 2 68.991 3.609 -12.844
16 H GLY 3 HN GLY 3 60.509 -0.634 -11.367
17 HA2 GLY 3 HA1 GLY 3 59.451 -2.591 -10.681
18 HA3 GLY 3 HA2 GLY 3 60.932 -3.079 -9.833
19 H SER 4 HN SER 4 61.255 -0.840 -8.148
20 HA SER 4 HA SER 4 59.336 -1.560 -6.067
21 HB2 SER 4 HB2 SER 4 60.591 0.058 -4.698
22 HB3 SER 4 HB1 SER 4 61.699 -1.033 -5.560
23 HG SER 4 HG SER 4 61.589 0.756 -7.238
24 H PHE 5 HN PHE 5 57.377 -0.946 -7.262
25 HA PHE 5 HA PHE 5 56.870 1.801 -7.969
26 HB2 PHE 5 HB2 PHE 5 54.820 -0.300 -7.172
27 HB3 PHE 5 HB1 PHE 5 54.573 1.121 -8.215
28 HD1 PHE 5 HD1 PHE 5 55.774 -2.333 -8.047
29 HD2 PHE 5 HD2 PHE 5 55.730 1.254 -10.449
30 HE1 PHE 5 HE1 PHE 5 56.465 -3.659 -10.041
31 HE2 PHE 5 HE2 PHE 5 56.421 -0.072 -12.442
32 HZ PHE 5 HZ PHE 5 56.765 -2.532 -12.244
33 H PHE 6 HN PHE 6 55.554 3.360 -6.934
34 HA PHE 6 HA PHE 6 56.020 3.509 -4.065
35 HB2 PHE 6 HB2 PHE 6 54.351 5.231 -5.941
36 HB3 PHE 6 HB1 PHE 6 54.709 5.626 -4.243
37 HD1 PHE 6 HD1 PHE 6 57.034 6.117 -3.520
38 HD2 PHE 6 HD2 PHE 6 56.061 5.402 -7.664
39 HE1 PHE 6 HE1 PHE 6 59.229 7.080 -4.202
40 HE2 PHE 6 HE2 PHE 6 58.255 6.365 -8.345
41 HZ PHE 6 HZ PHE 6 59.855 7.169 -6.612
42 H LYS 7 HN LYS 7 53.393 2.487 -6.155
43 HA LYS 7 HA LYS 7 51.307 1.606 -5.665
44 HB2 LYS 7 HB2 LYS 7 52.824 0.070 -4.321
45 HB3 LYS 7 HB1 LYS 7 52.431 1.059 -2.894
46 HG2 LYS 7 HG2 LYS 7 49.993 0.621 -3.323
47 HG3 LYS 7 HG1 LYS 7 50.461 -0.477 -4.644
48 HD2 LYS 7 HD2 LYS 7 51.840 -1.781 -2.978
49 HD3 LYS 7 HD1 LYS 7 51.161 -0.759 -1.690
50 HE2 LYS 7 HE2 LYS 7 49.782 -2.715 -1.746
51 HE3 LYS 7 HE1 LYS 7 48.840 -1.449 -2.568
52 HZ1 LYS 7 HZ1 LYS 7 50.247 -2.481 -4.601
53 HZ2 LYS 7 HZ2 LYS 7 48.686 -2.994 -4.171
54 HZ3 LYS 7 HZ3 LYS 7 50.046 -3.864 -3.640
55 H LYS 8 HN LYS 8 50.258 3.642 -5.809
56 HA LYS 8 HA LYS 8 49.989 5.412 -3.553
57 HB2 LYS 8 HB2 LYS 8 48.229 5.017 -6.005
58 HB3 LYS 8 HB1 LYS 8 48.087 6.369 -4.856
59 HG2 LYS 8 HG2 LYS 8 50.445 7.009 -5.337
60 HG3 LYS 8 HG1 LYS 8 50.549 5.684 -6.522
61 HD2 LYS 8 HD2 LYS 8 48.664 6.695 -7.798
62 HD3 LYS 8 HD1 LYS 8 48.614 8.040 -6.634
63 HE2 LYS 8 HE2 LYS 8 50.831 8.766 -7.247
64 HE3 LYS 8 HE1 LYS 8 51.110 7.295 -8.210
65 HZ1 LYS 8 HZ1 LYS 8 49.104 9.422 -8.776
66 HZ2 LYS 8 HZ2 LYS 8 49.277 7.985 -9.665
67 HZ3 LYS 8 HZ3 LYS 8 50.532 9.130 -9.642
68 H ALA 9 HN ALA 9 49.202 4.695 -1.661
69 HA ALA 9 HA ALA 9 47.257 2.595 -1.425
70 HB1 ALA 9 HB1 ALA 9 47.975 4.809 0.528
71 HB2 ALA 9 HB2 ALA 9 48.791 3.232 0.390
72 HB3 ALA 9 HB3 ALA 9 47.094 3.314 0.921
73 H ALA 10 HN ALA 10 45.211 3.192 0.078
74 HA ALA 10 HA ALA 10 43.413 4.576 -1.712
75 HB1 ALA 10 HB1 ALA 10 41.739 4.194 0.041
76 HB2 ALA 10 HB2 ALA 10 43.027 3.751 1.188
77 HB3 ALA 10 HB3 ALA 10 42.708 2.728 -0.235
78 H HIS 11 HN HIS 11 45.127 5.454 1.268
79 HA HIS 11 HA HIS 11 44.812 8.286 0.660
80 HB2 HIS 11 HB2 HIS 11 43.600 8.854 2.774
81 HB3 HIS 11 HB1 HIS 11 42.598 7.942 1.619
82 HD1 HIS 11 HD1 HIS 11 44.980 7.138 4.544
83 HD2 HIS 11 HD2 HIS 11 41.335 5.853 2.888
84 HE1 HIS 11 HE1 HIS 11 44.120 5.217 5.992
85 H ALA 12 HN ALA 12 46.375 9.479 1.626
86 HA ALA 12 HA ALA 12 47.673 8.594 4.092
87 HB1 ALA 12 HB1 ALA 12 49.294 8.514 1.524
88 HB2 ALA 12 HB2 ALA 12 48.692 7.075 2.383
89 HB3 ALA 12 HB3 ALA 12 49.868 8.156 3.169
90 H GLY 13 HN GLY 13 47.440 10.583 4.969
91 HA2 GLY 13 HA1 GLY 13 47.956 12.801 5.370
92 HA3 GLY 13 HA2 GLY 13 49.319 12.614 4.248
93 H LYS 14 HN LYS 14 45.751 12.469 3.855
94 HA LYS 14 HA LYS 14 45.686 14.976 2.385
95 HB2 LYS 14 HB2 LYS 14 46.746 13.589 0.653
96 HB3 LYS 14 HB1 LYS 14 45.437 12.392 0.791
97 HG2 LYS 14 HG2 LYS 14 43.794 13.989 0.001
98 HG3 LYS 14 HG1 LYS 14 44.973 15.320 0.086
99 HD2 LYS 14 HD2 LYS 14 46.320 14.302 -1.680
100 HD3 LYS 14 HD1 LYS 14 45.262 12.870 -1.705
101 HE2 LYS 14 HE2 LYS 14 44.734 14.481 -3.547
102 HE3 LYS 14 HE1 LYS 14 43.364 14.242 -2.436
103 HZ1 LYS 14 HZ1 LYS 14 43.739 16.292 -1.425
104 HZ2 LYS 14 HZ2 LYS 14 43.982 16.619 -3.074
105 HZ3 LYS 14 HZ3 LYS 14 45.314 16.436 -2.037
106 H HIS 15 HN HIS 15 43.829 12.065 1.539
107 HA HIS 15 HA HIS 15 41.333 13.412 2.132
108 HB2 HIS 15 HB2 HIS 15 41.578 11.665 0.379
109 HB3 HIS 15 HB1 HIS 15 41.876 10.455 1.650
110 HD1 HIS 15 HD1 HIS 15 39.876 10.154 3.469
111 HD2 HIS 15 HD2 HIS 15 38.885 12.070 -0.140
112 HE1 HIS 15 HE1 HIS 15 37.329 10.151 3.279
113 H ALA 16 HN ALA 16 43.619 11.710 4.035
114 HA ALA 16 HA ALA 16 41.859 10.512 5.963
115 HB1 ALA 16 HB1 ALA 16 44.695 11.563 6.245
116 HB2 ALA 16 HB2 ALA 16 44.214 9.906 5.812
117 HB3 ALA 16 HB3 ALA 16 43.859 10.540 7.437
118 H GLY 17 HN GLY 17 43.602 13.652 5.944
119 HA2 GLY 17 HA1 GLY 17 42.957 15.671 6.904
120 HA3 GLY 17 HA2 GLY 17 41.406 14.940 7.361
121 H LYS 18 HN LYS 18 42.637 12.698 8.791
122 HA LYS 18 HA LYS 18 42.781 13.901 11.386
123 HB2 LYS 18 HB2 LYS 18 43.670 11.169 10.383
124 HB3 LYS 18 HB1 LYS 18 43.598 11.633 12.102
125 HG2 LYS 18 HG2 LYS 18 41.215 11.992 11.994
126 HG3 LYS 18 HG1 LYS 18 41.214 11.847 10.219
127 HD2 LYS 18 HD2 LYS 18 41.801 9.498 10.339
128 HD3 LYS 18 HD1 LYS 18 42.065 9.603 12.097
129 HE2 LYS 18 HE2 LYS 18 39.394 10.174 10.740
130 HE3 LYS 18 HE1 LYS 18 39.832 8.604 11.455
131 HZ1 LYS 18 HZ1 LYS 18 39.017 11.035 12.744
132 HZ2 LYS 18 HZ2 LYS 18 40.455 10.413 13.398
133 HZ3 LYS 18 HZ3 LYS 18 39.056 9.451 13.347
134 H ALA 19 HN ALA 19 45.002 14.024 8.901
135 HA ALA 19 HA ALA 19 47.077 15.043 10.684
136 HB1 ALA 19 HB1 ALA 19 48.814 13.428 10.103
137 HB2 ALA 19 HB2 ALA 19 47.649 12.491 9.136
138 HB3 ALA 19 HB3 ALA 19 47.456 12.603 10.902
139 H ALA 20 HN ALA 20 45.599 16.214 8.644
140 HA ALA 20 HA ALA 20 47.715 17.263 6.998
141 HB1 ALA 20 HB1 ALA 20 45.798 15.307 5.691
142 HB2 ALA 20 HB2 ALA 20 47.574 15.207 5.755
143 HB3 ALA 20 HB3 ALA 20 46.786 16.480 4.791
144 H LEU 21 HN LEU 21 44.600 16.693 5.519
145 HA LEU 21 HA LEU 21 42.854 18.124 5.046
146 HB2 LEU 21 HB2 LEU 21 42.883 18.065 7.684
147 HB3 LEU 21 HB1 LEU 21 43.457 19.737 7.545
148 HG LEU 21 HG LEU 21 40.889 18.608 6.339
149 HD11 LEU 21 HD11 LEU 21 39.762 20.014 7.991
150 HD12 LEU 21 HD12 LEU 21 41.323 20.650 8.564
151 HD13 LEU 21 HD13 LEU 21 40.907 18.939 8.829
152 HD21 LEU 21 HD21 LEU 21 41.585 20.318 4.841
153 HD22 LEU 21 HD22 LEU 21 42.257 21.323 6.149
154 HD23 LEU 21 HD23 LEU 21 40.493 21.165 5.958
155 H THR 22 HN THR 22 44.927 20.489 6.791
156 HA THR 22 HA THR 22 44.669 22.385 4.594
157 HB THR 22 HB THR 22 46.600 22.470 6.955
158 HG1 THR 22 HG1 THR 22 44.381 22.245 7.556
159 HG21 THR 22 HG21 THR 22 45.517 24.541 5.008
160 HG22 THR 22 HG22 THR 22 47.215 24.118 5.330
161 HG23 THR 22 HG23 THR 22 46.264 24.981 6.561
162 H HIS 23 HN HIS 23 46.685 19.711 5.241
163 HA HIS 23 HA HIS 23 48.549 18.883 4.149
164 HB2 HIS 23 HB2 HIS 23 48.173 21.030 2.036
165 HB3 HIS 23 HB1 HIS 23 48.846 19.393 1.851
166 HD1 HIS 23 HD1 HIS 23 47.028 17.381 2.497
167 HD2 HIS 23 HD2 HIS 23 45.509 21.127 1.339
168 HE1 HIS 23 HE1 HIS 23 44.584 17.040 1.835
169 H TYR 24 HN TYR 24 50.703 19.113 4.396
170 HA TYR 24 HA TYR 24 51.705 21.420 5.759
171 HB2 TYR 24 HB2 TYR 24 52.679 19.103 5.856
172 HB3 TYR 24 HB1 TYR 24 53.310 19.351 4.210
173 HD1 TYR 24 HD1 TYR 24 55.096 20.982 3.767
174 HD2 TYR 24 HD2 TYR 24 53.595 20.342 7.763
175 HE1 TYR 24 HE1 TYR 24 57.063 22.194 4.700
176 HE2 TYR 24 HE2 TYR 24 55.563 21.553 8.696
177 HH TYR 24 HH TYR 24 57.433 23.576 6.960
178 H LEU 25 HN LEU 25 51.724 20.442 2.343
179 HA LEU 25 HA LEU 25 52.187 21.678 0.441
180 HB2 LEU 25 HB2 LEU 25 50.799 23.402 1.886
181 HB3 LEU 25 HB1 LEU 25 52.359 24.228 2.075
182 HG LEU 25 HG LEU 25 50.995 23.520 -0.566
183 HD11 LEU 25 HD11 LEU 25 49.954 25.409 0.642
184 HD12 LEU 25 HD12 LEU 25 50.821 25.987 -0.801
185 HD13 LEU 25 HD13 LEU 25 51.546 26.186 0.812
186 HD21 LEU 25 HD21 LEU 25 52.911 25.056 -1.447
187 HD22 LEU 25 HD22 LEU 25 53.329 23.384 -1.010
188 HD23 LEU 25 HD23 LEU 25 53.713 24.719 0.106
Start of MODEL 43
1 H1 GLY 1 HT1 GLY 1 59.938 1.920 -7.643
2 H2 GLY 1 HT2 GLY 1 61.218 0.884 -7.220
3 H3 GLY 1 HT3 GLY 1 59.642 0.565 -6.670
4 HA2 GLY 1 HA1 GLY 1 59.163 0.607 -9.229
5 HA3 GLY 1 HA2 GLY 1 60.864 0.101 -9.250
6 H TRP 2 HN TRP 2 61.482 -1.880 -8.368
7 HA TRP 2 HA TRP 2 59.540 -3.970 -8.614
8 HB2 TRP 2 HB2 TRP 2 62.228 -4.008 -7.182
9 HB3 TRP 2 HB1 TRP 2 61.307 -5.432 -7.728
10 HD1 TRP 2 HD1 TRP 2 63.267 -2.418 -9.075
11 HE1 TRP 2 HE1 TRP 2 63.947 -2.860 -11.545
12 HE3 TRP 2 HE3 TRP 2 60.711 -6.786 -9.846
13 HZ2 TRP 2 HZ2 TRP 2 63.432 -4.854 -13.558
14 HZ3 TRP 2 HZ3 TRP 2 60.820 -7.942 -12.048
15 HH2 TRP 2 HH2 TRP 2 62.178 -6.980 -13.904
16 H GLY 3 HN GLY 3 57.813 -3.114 -7.245
17 HA2 GLY 3 HA1 GLY 3 57.556 -4.499 -4.824
18 HA3 GLY 3 HA2 GLY 3 58.184 -2.896 -4.391
19 H SER 4 HN SER 4 56.819 -1.654 -6.740
20 HA SER 4 HA SER 4 53.962 -2.085 -6.339
21 HB2 SER 4 HB2 SER 4 54.511 -0.855 -4.251
22 HB3 SER 4 HB1 SER 4 55.195 0.466 -5.224
23 HG SER 4 HG SER 4 52.577 -0.196 -4.703
24 H PHE 5 HN PHE 5 55.392 -2.226 -8.629
25 HA PHE 5 HA PHE 5 55.721 0.220 -10.063
26 HB2 PHE 5 HB2 PHE 5 56.649 -1.931 -10.824
27 HB3 PHE 5 HB1 PHE 5 55.005 -2.553 -11.099
28 HD1 PHE 5 HD1 PHE 5 57.573 -0.122 -12.246
29 HD2 PHE 5 HD2 PHE 5 53.671 -1.809 -12.997
30 HE1 PHE 5 HE1 PHE 5 57.563 0.909 -14.515
31 HE2 PHE 5 HE2 PHE 5 53.663 -0.779 -15.266
32 HZ PHE 5 HZ PHE 5 55.640 0.518 -16.051
33 H PHE 6 HN PHE 6 52.905 -1.872 -9.524
34 HA PHE 6 HA PHE 6 51.179 -0.712 -11.472
35 HB2 PHE 6 HB2 PHE 6 50.453 -1.837 -8.737
36 HB3 PHE 6 HB1 PHE 6 49.350 -1.627 -10.118
37 HD1 PHE 6 HD1 PHE 6 52.022 -3.678 -8.654
38 HD2 PHE 6 HD2 PHE 6 49.685 -2.961 -12.210
39 HE1 PHE 6 HE1 PHE 6 52.724 -5.890 -9.561
40 HE2 PHE 6 HE2 PHE 6 50.385 -5.173 -13.117
41 HZ PHE 6 HZ PHE 6 51.976 -6.596 -11.832
42 H LYS 7 HN LYS 7 48.959 0.290 -10.373
43 HA LYS 7 HA LYS 7 49.559 3.024 -9.978
44 HB2 LYS 7 HB2 LYS 7 47.114 1.479 -9.031
45 HB3 LYS 7 HB1 LYS 7 47.219 3.245 -9.232
46 HG2 LYS 7 HG2 LYS 7 47.883 2.782 -11.676
47 HG3 LYS 7 HG1 LYS 7 47.375 1.100 -11.388
48 HD2 LYS 7 HD2 LYS 7 45.646 3.597 -11.087
49 HD3 LYS 7 HD1 LYS 7 45.508 2.361 -12.359
50 HE2 LYS 7 HE2 LYS 7 45.174 0.672 -10.401
51 HE3 LYS 7 HE1 LYS 7 44.868 2.115 -9.402
52 HZ1 LYS 7 HZ1 LYS 7 42.845 2.272 -10.256
53 HZ2 LYS 7 HZ2 LYS 7 43.093 0.817 -11.097
54 HZ3 LYS 7 HZ3 LYS 7 43.448 2.302 -11.840
55 H LYS 8 HN LYS 8 48.994 4.354 -8.041
56 HA LYS 8 HA LYS 8 49.056 3.185 -5.410
57 HB2 LYS 8 HB2 LYS 8 51.350 4.018 -4.768
58 HB3 LYS 8 HB1 LYS 8 51.360 2.624 -5.874
59 HG2 LYS 8 HG2 LYS 8 51.669 4.154 -7.801
60 HG3 LYS 8 HG1 LYS 8 51.675 5.546 -6.690
61 HD2 LYS 8 HD2 LYS 8 53.672 4.681 -5.557
62 HD3 LYS 8 HD1 LYS 8 53.643 3.219 -6.571
63 HE2 LYS 8 HE2 LYS 8 54.011 4.562 -8.588
64 HE3 LYS 8 HE1 LYS 8 53.935 6.062 -7.633
65 HZ1 LYS 8 HZ1 LYS 8 55.803 4.308 -6.461
66 HZ2 LYS 8 HZ2 LYS 8 56.071 5.838 -7.152
67 HZ3 LYS 8 HZ3 LYS 8 56.158 4.441 -8.116
68 H ALA 9 HN ALA 9 49.752 4.978 -3.743
69 HA ALA 9 HA ALA 9 49.507 7.729 -4.604
70 HB1 ALA 9 HB1 ALA 9 47.054 6.535 -3.271
71 HB2 ALA 9 HB2 ALA 9 47.168 6.947 -4.999
72 HB3 ALA 9 HB3 ALA 9 47.287 8.227 -3.767
73 H ALA 10 HN ALA 10 49.547 5.208 -2.205
74 HA ALA 10 HA ALA 10 50.139 5.221 0.041
75 HB1 ALA 10 HB1 ALA 10 52.239 6.027 -1.110
76 HB2 ALA 10 HB2 ALA 10 52.082 6.515 0.594
77 HB3 ALA 10 HB3 ALA 10 51.743 7.686 -0.704
78 H HIS 11 HN HIS 11 50.979 7.624 1.556
79 HA HIS 11 HA HIS 11 48.693 9.439 1.582
80 HB2 HIS 11 HB2 HIS 11 48.014 8.753 3.954
81 HB3 HIS 11 HB1 HIS 11 47.514 7.654 2.647
82 HD1 HIS 11 HD1 HIS 11 50.243 8.044 5.308
83 HD2 HIS 11 HD2 HIS 11 48.550 5.073 2.858
84 HE1 HIS 11 HE1 HIS 11 51.223 5.801 6.044
85 H ALA 12 HN ALA 12 51.514 9.710 1.366
86 HA ALA 12 HA ALA 12 52.611 10.441 3.969
87 HB1 ALA 12 HB1 ALA 12 53.949 9.717 1.954
88 HB2 ALA 12 HB2 ALA 12 54.513 11.220 2.725
89 HB3 ALA 12 HB3 ALA 12 53.568 11.291 1.216
90 H GLY 13 HN GLY 13 50.584 11.741 4.488
91 HA2 GLY 13 HA1 GLY 13 49.577 13.802 4.788
92 HA3 GLY 13 HA2 GLY 13 51.210 14.470 4.603
93 H LYS 14 HN LYS 14 48.116 13.885 3.115
94 HA LYS 14 HA LYS 14 48.574 15.980 1.170
95 HB2 LYS 14 HB2 LYS 14 49.889 14.145 0.106
96 HB3 LYS 14 HB1 LYS 14 48.420 13.141 0.081
97 HG2 LYS 14 HG2 LYS 14 47.291 14.684 -1.392
98 HG3 LYS 14 HG1 LYS 14 48.579 15.898 -1.203
99 HD2 LYS 14 HD2 LYS 14 50.168 14.517 -2.383
100 HD3 LYS 14 HD1 LYS 14 49.062 13.124 -2.365
101 HE2 LYS 14 HE2 LYS 14 49.020 14.204 -4.576
102 HE3 LYS 14 HE1 LYS 14 47.449 14.411 -3.765
103 HZ1 LYS 14 HZ1 LYS 14 48.714 16.427 -4.857
104 HZ2 LYS 14 HZ2 LYS 14 49.500 16.466 -3.352
105 HZ3 LYS 14 HZ3 LYS 14 47.810 16.619 -3.435
106 H HIS 15 HN HIS 15 46.740 13.156 2.262
107 HA HIS 15 HA HIS 15 44.261 14.657 2.195
108 HB2 HIS 15 HB2 HIS 15 44.506 14.139 -0.236
109 HB3 HIS 15 HB1 HIS 15 44.538 12.405 0.165
110 HD1 HIS 15 HD1 HIS 15 42.272 15.478 0.574
111 HD2 HIS 15 HD2 HIS 15 42.013 11.286 0.367
112 HE1 HIS 15 HE1 HIS 15 39.791 14.865 0.609
113 H ALA 16 HN ALA 16 46.132 12.730 3.729
114 HA ALA 16 HA ALA 16 43.995 11.408 5.183
115 HB1 ALA 16 HB1 ALA 16 44.084 9.827 3.344
116 HB2 ALA 16 HB2 ALA 16 44.811 9.081 4.788
117 HB3 ALA 16 HB3 ALA 16 45.853 9.705 3.487
118 H GLY 17 HN GLY 17 46.441 13.181 5.400
119 HA2 GLY 17 HA1 GLY 17 48.380 11.634 6.931
120 HA3 GLY 17 HA2 GLY 17 48.318 13.399 6.757
121 H LYS 18 HN LYS 18 45.421 11.780 7.766
122 HA LYS 18 HA LYS 18 44.265 11.876 9.775
123 HB2 LYS 18 HB2 LYS 18 46.992 11.838 11.117
124 HB3 LYS 18 HB1 LYS 18 45.444 11.245 11.766
125 HG2 LYS 18 HG2 LYS 18 45.357 9.534 9.957
126 HG3 LYS 18 HG1 LYS 18 46.933 10.106 9.358
127 HD2 LYS 18 HD2 LYS 18 47.907 9.611 11.632
128 HD3 LYS 18 HD1 LYS 18 46.348 8.883 12.087
129 HE2 LYS 18 HE2 LYS 18 48.192 7.990 9.830
130 HE3 LYS 18 HE1 LYS 18 47.836 7.107 11.334
131 HZ1 LYS 18 HZ1 LYS 18 46.450 6.173 9.713
132 HZ2 LYS 18 HZ2 LYS 18 46.016 7.682 9.061
133 HZ3 LYS 18 HZ3 LYS 18 45.431 7.211 10.586
134 H ALA 19 HN ALA 19 45.895 14.340 8.551
135 HA ALA 19 HA ALA 19 44.664 16.292 10.288
136 HB1 ALA 19 HB1 ALA 19 47.684 16.014 10.476
137 HB2 ALA 19 HB2 ALA 19 46.518 15.686 11.780
138 HB3 ALA 19 HB3 ALA 19 46.719 17.343 11.160
139 H ALA 20 HN ALA 20 46.960 15.400 7.776
140 HA ALA 20 HA ALA 20 47.249 18.080 6.695
141 HB1 ALA 20 HB1 ALA 20 48.875 16.233 6.321
142 HB2 ALA 20 HB2 ALA 20 48.299 16.967 4.805
143 HB3 ALA 20 HB3 ALA 20 47.655 15.395 5.334
144 H LEU 21 HN LEU 21 44.770 15.687 6.590
145 HA LEU 21 HA LEU 21 43.644 16.026 4.047
146 HB2 LEU 21 HB2 LEU 21 42.734 14.415 5.605
147 HB3 LEU 21 HB1 LEU 21 42.310 15.692 6.763
148 HG LEU 21 HG LEU 21 40.598 16.569 5.279
149 HD11 LEU 21 HD11 LEU 21 40.159 15.247 3.080
150 HD12 LEU 21 HD12 LEU 21 41.821 14.638 3.271
151 HD13 LEU 21 HD13 LEU 21 41.525 16.384 3.093
152 HD21 LEU 21 HD21 LEU 21 39.988 14.605 6.656
153 HD22 LEU 21 HD22 LEU 21 40.507 13.520 5.345
154 HD23 LEU 21 HD23 LEU 21 39.108 14.593 5.110
155 H THR 22 HN THR 22 42.932 17.942 7.007
156 HA THR 22 HA THR 22 41.247 19.837 5.662
157 HB THR 22 HB THR 22 41.458 21.200 7.656
158 HG1 THR 22 HG1 THR 22 43.904 19.980 7.731
159 HG21 THR 22 HG21 THR 22 40.155 19.134 7.919
160 HG22 THR 22 HG22 THR 22 41.024 19.502 9.429
161 HG23 THR 22 HG23 THR 22 41.633 18.234 8.337
162 H HIS 23 HN HIS 23 44.724 19.504 5.998
163 HA HIS 23 HA HIS 23 46.473 20.818 5.215
164 HB2 HIS 23 HB2 HIS 23 45.429 20.163 3.066
165 HB3 HIS 23 HB1 HIS 23 44.393 21.609 3.135
166 HD1 HIS 23 HD1 HIS 23 48.154 21.174 3.837
167 HD2 HIS 23 HD2 HIS 23 45.553 23.450 1.443
168 HE1 HIS 23 HE1 HIS 23 49.588 22.812 2.499
169 H TYR 24 HN TYR 24 46.602 22.208 7.016
170 HA TYR 24 HA TYR 24 45.026 24.684 7.063
171 HB2 TYR 24 HB2 TYR 24 47.414 23.747 8.700
172 HB3 TYR 24 HB1 TYR 24 46.486 25.232 9.012
173 HD1 TYR 24 HD1 TYR 24 44.005 25.065 9.518
174 HD2 TYR 24 HD2 TYR 24 46.582 21.604 9.401
175 HE1 TYR 24 HE1 TYR 24 42.303 23.755 10.781
176 HE2 TYR 24 HE2 TYR 24 44.879 20.294 10.663
177 HH TYR 24 HH TYR 24 41.843 20.964 10.956
178 H LEU 25 HN LEU 25 48.571 24.405 7.383
179 HA LEU 25 HA LEU 25 49.121 25.885 4.955
180 HB2 LEU 25 HB2 LEU 25 48.209 27.787 6.125
181 HB3 LEU 25 HB1 LEU 25 49.110 27.387 7.602
182 HG LEU 25 HG LEU 25 51.225 27.951 6.560
183 HD11 LEU 25 HD11 LEU 25 51.152 28.874 4.137
184 HD12 LEU 25 HD12 LEU 25 49.568 28.069 4.010
185 HD13 LEU 25 HD13 LEU 25 51.032 27.111 4.335
186 HD21 LEU 25 HD21 LEU 25 49.152 30.032 5.736
187 HD22 LEU 25 HD22 LEU 25 50.874 30.325 6.083
188 HD23 LEU 25 HD23 LEU 25 49.773 29.824 7.391
Start of MODEL 44
1 H1 GLY 1 HT1 GLY 1 52.739 7.341 -0.999
2 H2 GLY 1 HT2 GLY 1 53.820 7.218 0.308
3 H3 GLY 1 HT3 GLY 1 54.242 6.588 -1.214
4 HA2 GLY 1 HA1 GLY 1 53.531 9.334 -1.322
5 HA3 GLY 1 HA2 GLY 1 54.900 9.011 -0.240
6 H TRP 2 HN TRP 2 55.697 6.593 -1.764
7 HA TRP 2 HA TRP 2 57.487 7.924 -3.607
8 HB2 TRP 2 HB2 TRP 2 56.827 4.961 -3.375
9 HB3 TRP 2 HB1 TRP 2 58.268 5.673 -4.140
10 HD1 TRP 2 HD1 TRP 2 56.580 5.337 -0.689
11 HE1 TRP 2 HE1 TRP 2 58.381 5.569 1.172
12 HE3 TRP 2 HE3 TRP 2 60.616 6.509 -3.614
13 HZ2 TRP 2 HZ2 TRP 2 61.190 6.182 1.334
14 HZ3 TRP 2 HZ3 TRP 2 62.846 6.914 -2.584
15 HH2 TRP 2 HH2 TRP 2 63.137 6.751 -0.116
16 H GLY 3 HN GLY 3 57.417 8.187 -5.773
17 HA2 GLY 3 HA1 GLY 3 54.837 7.982 -7.065
18 HA3 GLY 3 HA2 GLY 3 56.368 8.465 -7.822
19 H SER 4 HN SER 4 56.558 5.485 -6.162
20 HA SER 4 HA SER 4 57.036 4.050 -8.633
21 HB2 SER 4 HB2 SER 4 57.323 2.100 -7.190
22 HB3 SER 4 HB1 SER 4 58.139 3.504 -6.468
23 HG SER 4 HG SER 4 56.961 2.814 -4.813
24 H PHE 5 HN PHE 5 55.903 1.651 -8.540
25 HA PHE 5 HA PHE 5 53.229 2.157 -9.494
26 HB2 PHE 5 HB2 PHE 5 54.646 -0.436 -8.765
27 HB3 PHE 5 HB1 PHE 5 53.083 -0.337 -9.609
28 HD1 PHE 5 HD1 PHE 5 52.935 0.491 -11.913
29 HD2 PHE 5 HD2 PHE 5 56.726 0.279 -9.862
30 HE1 PHE 5 HE1 PHE 5 54.124 0.812 -14.079
31 HE2 PHE 5 HE2 PHE 5 57.915 0.600 -12.028
32 HZ PHE 5 HZ PHE 5 56.615 0.880 -14.135
33 H PHE 6 HN PHE 6 51.321 2.182 -8.485
34 HA PHE 6 HA PHE 6 51.183 2.137 -5.620
35 HB2 PHE 6 HB2 PHE 6 48.704 2.125 -5.999
36 HB3 PHE 6 HB1 PHE 6 49.557 3.381 -6.928
37 HD1 PHE 6 HD1 PHE 6 47.755 0.153 -7.110
38 HD2 PHE 6 HD2 PHE 6 49.842 3.189 -9.361
39 HE1 PHE 6 HE1 PHE 6 46.848 -0.794 -9.229
40 HE2 PHE 6 HE2 PHE 6 48.933 2.241 -11.480
41 HZ PHE 6 HZ PHE 6 47.497 0.205 -11.417
42 H LYS 7 HN LYS 7 49.403 0.703 -4.527
43 HA LYS 7 HA LYS 7 49.072 -1.991 -5.494
44 HB2 LYS 7 HB2 LYS 7 50.541 -3.111 -3.782
45 HB3 LYS 7 HB1 LYS 7 51.438 -2.265 -5.067
46 HG2 LYS 7 HG2 LYS 7 51.683 -0.288 -3.564
47 HG3 LYS 7 HG1 LYS 7 50.851 -1.189 -2.273
48 HD2 LYS 7 HD2 LYS 7 52.605 -2.846 -2.188
49 HD3 LYS 7 HD1 LYS 7 53.369 -2.196 -3.659
50 HE2 LYS 7 HE2 LYS 7 53.864 -0.082 -2.490
51 HE3 LYS 7 HE1 LYS 7 53.056 -0.688 -1.025
52 HZ1 LYS 7 HZ1 LYS 7 54.952 -2.582 -1.909
53 HZ2 LYS 7 HZ2 LYS 7 54.914 -1.718 -0.448
54 HZ3 LYS 7 HZ3 LYS 7 55.708 -1.068 -1.802
55 H LYS 8 HN LYS 8 47.304 -0.141 -4.515
56 HA LYS 8 HA LYS 8 45.645 0.138 -2.917
57 HB2 LYS 8 HB2 LYS 8 46.371 -2.736 -2.227
58 HB3 LYS 8 HB1 LYS 8 44.863 -1.901 -1.784
59 HG2 LYS 8 HG2 LYS 8 44.303 -1.596 -4.160
60 HG3 LYS 8 HG1 LYS 8 45.839 -2.359 -4.638
61 HD2 LYS 8 HD2 LYS 8 45.140 -4.453 -3.488
62 HD3 LYS 8 HD1 LYS 8 43.588 -3.689 -3.064
63 HE2 LYS 8 HE2 LYS 8 43.154 -3.319 -5.509
64 HE3 LYS 8 HE1 LYS 8 44.647 -4.218 -5.875
65 HZ1 LYS 8 HZ1 LYS 8 43.549 -5.998 -4.349
66 HZ2 LYS 8 HZ2 LYS 8 43.069 -5.863 -5.973
67 HZ3 LYS 8 HZ3 LYS 8 42.108 -5.195 -4.741
68 H ALA 9 HN ALA 9 48.349 0.933 -2.207
69 HA ALA 9 HA ALA 9 47.913 1.379 0.614
70 HB1 ALA 9 HB1 ALA 9 48.683 -0.986 0.706
71 HB2 ALA 9 HB2 ALA 9 49.799 0.137 1.520
72 HB3 ALA 9 HB3 ALA 9 50.194 -0.497 -0.096
73 H ALA 10 HN ALA 10 48.286 3.519 0.200
74 HA ALA 10 HA ALA 10 51.066 4.337 0.082
75 HB1 ALA 10 HB1 ALA 10 49.341 4.780 -2.376
76 HB2 ALA 10 HB2 ALA 10 50.851 3.843 -2.280
77 HB3 ALA 10 HB3 ALA 10 50.884 5.610 -2.060
78 H HIS 11 HN HIS 11 47.833 4.746 0.764
79 HA HIS 11 HA HIS 11 47.601 7.622 0.644
80 HB2 HIS 11 HB2 HIS 11 46.170 5.667 2.487
81 HB3 HIS 11 HB1 HIS 11 45.647 7.318 2.077
82 HD1 HIS 11 HD1 HIS 11 46.730 4.218 0.052
83 HD2 HIS 11 HD2 HIS 11 43.719 7.152 0.123
84 HE1 HIS 11 HE1 HIS 11 45.190 3.777 -1.939
85 H ALA 12 HN ALA 12 47.571 5.693 3.659
86 HA ALA 12 HA ALA 12 48.400 6.234 5.760
87 HB1 ALA 12 HB1 ALA 12 50.721 7.056 3.988
88 HB2 ALA 12 HB2 ALA 12 50.472 5.488 4.794
89 HB3 ALA 12 HB3 ALA 12 50.817 6.944 5.760
90 H GLY 13 HN GLY 13 46.594 8.000 5.441
91 HA2 GLY 13 HA1 GLY 13 47.438 10.304 6.831
92 HA3 GLY 13 HA2 GLY 13 47.437 10.726 5.107
93 H LYS 14 HN LYS 14 45.577 11.246 4.121
94 HA LYS 14 HA LYS 14 42.998 10.291 5.020
95 HB2 LYS 14 HB2 LYS 14 43.501 11.890 6.870
96 HB3 LYS 14 HB1 LYS 14 43.652 13.193 5.667
97 HG2 LYS 14 HG2 LYS 14 41.338 12.914 4.980
98 HG3 LYS 14 HG1 LYS 14 41.163 11.466 6.001
99 HD2 LYS 14 HD2 LYS 14 41.676 12.895 8.014
100 HD3 LYS 14 HD1 LYS 14 41.654 14.322 6.949
101 HE2 LYS 14 HE2 LYS 14 39.358 12.416 7.550
102 HE3 LYS 14 HE1 LYS 14 39.456 14.154 7.922
103 HZ1 LYS 14 HZ1 LYS 14 38.193 14.075 5.997
104 HZ2 LYS 14 HZ2 LYS 14 39.115 12.832 5.298
105 HZ3 LYS 14 HZ3 LYS 14 39.745 14.408 5.398
106 H HIS 15 HN HIS 15 41.750 10.283 3.272
107 HA HIS 15 HA HIS 15 41.025 10.758 1.120
108 HB2 HIS 15 HB2 HIS 15 41.682 13.569 2.085
109 HB3 HIS 15 HB1 HIS 15 40.815 13.213 0.571
110 HD1 HIS 15 HD1 HIS 15 39.346 10.625 2.000
111 HD2 HIS 15 HD2 HIS 15 39.304 14.626 3.292
112 HE1 HIS 15 HE1 HIS 15 37.246 10.946 3.419
113 H ALA 16 HN ALA 16 44.023 10.419 1.774
114 HA ALA 16 HA ALA 16 46.031 10.497 0.614
115 HB1 ALA 16 HB1 ALA 16 45.836 10.147 -1.840
116 HB2 ALA 16 HB2 ALA 16 44.092 10.487 -1.724
117 HB3 ALA 16 HB3 ALA 16 44.779 9.065 -0.903
118 H GLY 17 HN GLY 17 45.342 12.980 1.578
119 HA2 GLY 17 HA1 GLY 17 45.441 14.979 -0.547
120 HA3 GLY 17 HA2 GLY 17 45.585 15.265 1.199
121 H LYS 18 HN LYS 18 47.650 12.834 -0.064
122 HA LYS 18 HA LYS 18 49.914 12.772 -0.515
123 HB2 LYS 18 HB2 LYS 18 49.266 14.804 -2.033
124 HB3 LYS 18 HB1 LYS 18 50.018 15.797 -0.766
125 HG2 LYS 18 HG2 LYS 18 52.078 14.311 -0.967
126 HG3 LYS 18 HG1 LYS 18 51.322 13.586 -2.406
127 HD2 LYS 18 HD2 LYS 18 51.095 15.944 -3.345
128 HD3 LYS 18 HD1 LYS 18 52.115 16.497 -1.994
129 HE2 LYS 18 HE2 LYS 18 53.934 15.021 -2.707
130 HE3 LYS 18 HE1 LYS 18 52.915 14.342 -3.999
131 HZ1 LYS 18 HZ1 LYS 18 54.368 16.831 -3.915
132 HZ2 LYS 18 HZ2 LYS 18 52.759 17.012 -4.431
133 HZ3 LYS 18 HZ3 LYS 18 53.802 15.948 -5.249
134 H ALA 19 HN ALA 19 48.520 14.681 1.954
135 HA ALA 19 HA ALA 19 50.568 13.980 3.840
136 HB1 ALA 19 HB1 ALA 19 50.561 16.857 2.861
137 HB2 ALA 19 HB2 ALA 19 51.901 15.692 2.742
138 HB3 ALA 19 HB3 ALA 19 51.380 16.290 4.335
139 H ALA 20 HN ALA 20 47.752 13.780 3.593
140 HA ALA 20 HA ALA 20 45.831 14.142 4.833
141 HB1 ALA 20 HB1 ALA 20 46.088 14.572 7.195
142 HB2 ALA 20 HB2 ALA 20 47.718 15.240 6.944
143 HB3 ALA 20 HB3 ALA 20 47.414 13.506 6.672
144 H LEU 21 HN LEU 21 45.098 15.734 3.349
145 HA LEU 21 HA LEU 21 44.250 17.818 2.815
146 HB2 LEU 21 HB2 LEU 21 44.690 18.617 5.710
147 HB3 LEU 21 HB1 LEU 21 43.443 19.193 4.580
148 HG LEU 21 HG LEU 21 43.685 16.390 5.761
149 HD11 LEU 21 HD11 LEU 21 41.603 16.937 6.889
150 HD12 LEU 21 HD12 LEU 21 41.490 18.489 6.024
151 HD13 LEU 21 HD13 LEU 21 42.775 18.233 7.229
152 HD21 LEU 21 HD21 LEU 21 42.859 16.066 3.543
153 HD22 LEU 21 HD22 LEU 21 41.881 17.553 3.600
154 HD23 LEU 21 HD23 LEU 21 41.401 16.131 4.557
155 H THR 22 HN THR 22 46.449 18.897 5.437
156 HA THR 22 HA THR 22 48.485 19.808 3.573
157 HB THR 22 HB THR 22 47.002 21.607 3.009
158 HG1 THR 22 HG1 THR 22 48.041 23.302 4.594
159 HG21 THR 22 HG21 THR 22 46.496 21.833 6.006
160 HG22 THR 22 HG22 THR 22 45.336 21.284 4.772
161 HG23 THR 22 HG23 THR 22 45.887 22.977 4.786
162 H HIS 23 HN HIS 23 48.907 18.194 5.604
163 HA HIS 23 HA HIS 23 49.385 19.568 8.126
164 HB2 HIS 23 HB2 HIS 23 48.960 17.085 7.840
165 HB3 HIS 23 HB1 HIS 23 50.598 16.952 7.159
166 HD1 HIS 23 HD1 HIS 23 52.034 15.956 8.950
167 HD2 HIS 23 HD2 HIS 23 49.399 18.856 10.472
168 HE1 HIS 23 HE1 HIS 23 52.610 16.288 11.417
169 H TYR 24 HN TYR 24 50.727 21.311 7.921
170 HA TYR 24 HA TYR 24 52.712 22.466 7.588
171 HB2 TYR 24 HB2 TYR 24 53.366 20.720 9.318
172 HB3 TYR 24 HB1 TYR 24 54.045 19.761 7.982
173 HD1 TYR 24 HD1 TYR 24 56.170 20.326 7.009
174 HD2 TYR 24 HD2 TYR 24 54.246 23.060 9.741
175 HE1 TYR 24 HE1 TYR 24 58.245 21.702 7.095
176 HE2 TYR 24 HE2 TYR 24 56.322 24.435 9.826
177 HH TYR 24 HH TYR 24 59.182 23.601 7.871
178 H LEU 25 HN LEU 25 54.953 22.350 6.368
179 HA LEU 25 HA LEU 25 54.279 22.036 3.569
180 HB2 LEU 25 HB2 LEU 25 57.090 22.310 4.685
181 HB3 LEU 25 HB1 LEU 25 56.454 22.884 3.125
182 HG LEU 25 HG LEU 25 55.711 23.936 5.892
183 HD11 LEU 25 HD11 LEU 25 57.931 24.647 5.005
184 HD12 LEU 25 HD12 LEU 25 56.782 26.004 5.095
185 HD13 LEU 25 HD13 LEU 25 57.133 25.237 3.527
186 HD21 LEU 25 HD21 LEU 25 53.715 24.084 4.579
187 HD22 LEU 25 HD22 LEU 25 54.618 24.518 3.108
188 HD23 LEU 25 HD23 LEU 25 54.471 25.687 4.441
Start of MODEL 45
1 H1 GLY 1 HT1 GLY 1 55.341 3.186 1.578
2 H2 GLY 1 HT2 GLY 1 56.246 2.050 0.696
3 H3 GLY 1 HT3 GLY 1 55.187 3.109 -0.107
4 HA2 GLY 1 HA1 GLY 1 57.551 3.941 1.434
5 HA3 GLY 1 HA2 GLY 1 57.524 3.712 -0.326
6 H TRP 2 HN TRP 2 58.035 5.871 -0.735
7 HA TRP 2 HA TRP 2 56.449 8.037 0.365
8 HB2 TRP 2 HB2 TRP 2 58.278 7.942 -2.068
9 HB3 TRP 2 HB1 TRP 2 57.634 9.421 -1.315
10 HD1 TRP 2 HD1 TRP 2 58.158 9.417 1.528
11 HE1 TRP 2 HE1 TRP 2 60.455 9.005 2.676
12 HE3 TRP 2 HE3 TRP 2 60.520 6.922 -2.267
13 HZ2 TRP 2 HZ2 TRP 2 62.963 7.754 2.005
14 HZ3 TRP 2 HZ3 TRP 2 62.863 6.128 -1.992
15 HH2 TRP 2 HH2 TRP 2 64.085 6.541 0.138
16 H GLY 3 HN GLY 3 56.792 8.403 -3.013
17 HA2 GLY 3 HA1 GLY 3 53.956 8.762 -3.365
18 HA3 GLY 3 HA2 GLY 3 55.188 8.761 -4.643
19 H SER 4 HN SER 4 56.239 6.301 -4.643
20 HA SER 4 HA SER 4 55.838 4.160 -5.432
21 HB2 SER 4 HB2 SER 4 53.271 4.225 -3.812
22 HB3 SER 4 HB1 SER 4 54.239 2.808 -4.274
23 HG SER 4 HG SER 4 55.115 4.957 -2.616
24 H PHE 5 HN PHE 5 54.632 2.928 -6.965
25 HA PHE 5 HA PHE 5 53.331 4.531 -8.940
26 HB2 PHE 5 HB2 PHE 5 53.256 1.518 -8.505
27 HB3 PHE 5 HB1 PHE 5 52.735 2.357 -9.986
28 HD1 PHE 5 HD1 PHE 5 55.612 1.276 -7.958
29 HD2 PHE 5 HD2 PHE 5 54.382 3.580 -11.395
30 HE1 PHE 5 HE1 PHE 5 57.968 1.326 -8.769
31 HE2 PHE 5 HE2 PHE 5 56.738 3.628 -12.206
32 HZ PHE 5 HZ PHE 5 58.527 2.485 -10.902
33 H PHE 6 HN PHE 6 51.135 4.365 -9.742
34 HA PHE 6 HA PHE 6 49.214 4.605 -7.558
35 HB2 PHE 6 HB2 PHE 6 48.787 4.577 -10.572
36 HB3 PHE 6 HB1 PHE 6 47.602 5.096 -9.349
37 HD1 PHE 6 HD1 PHE 6 48.242 7.028 -7.776
38 HD2 PHE 6 HD2 PHE 6 50.437 6.104 -11.377
39 HE1 PHE 6 HE1 PHE 6 49.239 9.311 -7.756
40 HE2 PHE 6 HE2 PHE 6 51.433 8.387 -11.356
41 HZ PHE 6 HZ PHE 6 50.817 9.999 -9.557
42 H LYS 7 HN LYS 7 50.416 2.003 -7.664
43 HA LYS 7 HA LYS 7 48.597 0.147 -8.959
44 HB2 LYS 7 HB2 LYS 7 50.971 -0.380 -8.343
45 HB3 LYS 7 HB1 LYS 7 50.491 -0.353 -6.629
46 HG2 LYS 7 HG2 LYS 7 48.892 -2.172 -7.005
47 HG3 LYS 7 HG1 LYS 7 49.243 -2.156 -8.750
48 HD2 LYS 7 HD2 LYS 7 51.654 -2.672 -8.195
49 HD3 LYS 7 HD1 LYS 7 51.164 -2.872 -6.496
50 HE2 LYS 7 HE2 LYS 7 51.170 -5.069 -7.518
51 HE3 LYS 7 HE1 LYS 7 49.473 -4.592 -7.274
52 HZ1 LYS 7 HZ1 LYS 7 50.347 -5.504 -9.576
53 HZ2 LYS 7 HZ2 LYS 7 50.747 -3.869 -9.813
54 HZ3 LYS 7 HZ3 LYS 7 49.139 -4.317 -9.491
55 H LYS 8 HN LYS 8 46.529 -0.035 -8.410
56 HA LYS 8 HA LYS 8 44.627 -0.186 -7.095
57 HB2 LYS 8 HB2 LYS 8 46.644 -1.367 -5.146
58 HB3 LYS 8 HB1 LYS 8 44.876 -1.456 -4.956
59 HG2 LYS 8 HG2 LYS 8 44.660 -2.681 -7.055
60 HG3 LYS 8 HG1 LYS 8 46.400 -2.490 -7.386
61 HD2 LYS 8 HD2 LYS 8 46.982 -3.856 -5.465
62 HD3 LYS 8 HD1 LYS 8 45.285 -3.914 -4.933
63 HE2 LYS 8 HE2 LYS 8 44.686 -5.085 -7.056
64 HE3 LYS 8 HE1 LYS 8 46.405 -5.088 -7.516
65 HZ1 LYS 8 HZ1 LYS 8 45.273 -7.080 -6.200
66 HZ2 LYS 8 HZ2 LYS 8 45.735 -6.130 -4.869
67 HZ3 LYS 8 HZ3 LYS 8 46.902 -6.660 -5.985
68 H ALA 9 HN ALA 9 46.777 0.260 -4.304
69 HA ALA 9 HA ALA 9 46.118 3.107 -4.042
70 HB1 ALA 9 HB1 ALA 9 44.013 2.162 -3.265
71 HB2 ALA 9 HB2 ALA 9 44.915 2.831 -1.883
72 HB3 ALA 9 HB3 ALA 9 44.878 1.072 -2.157
73 H ALA 10 HN ALA 10 46.890 3.933 -1.843
74 HA ALA 10 HA ALA 10 48.778 2.351 -0.347
75 HB1 ALA 10 HB1 ALA 10 50.837 3.607 -1.107
76 HB2 ALA 10 HB2 ALA 10 49.885 4.182 -2.497
77 HB3 ALA 10 HB3 ALA 10 50.190 2.442 -2.285
78 H HIS 11 HN HIS 11 49.732 3.518 1.384
79 HA HIS 11 HA HIS 11 48.124 5.824 2.188
80 HB2 HIS 11 HB2 HIS 11 49.455 5.732 4.252
81 HB3 HIS 11 HB1 HIS 11 48.882 4.107 3.804
82 HD1 HIS 11 HD1 HIS 11 51.323 4.221 5.600
83 HD2 HIS 11 HD2 HIS 11 51.632 4.424 1.412
84 HE1 HIS 11 HE1 HIS 11 53.667 3.426 4.969
85 H ALA 12 HN ALA 12 49.923 6.055 -0.219
86 HA ALA 12 HA ALA 12 52.191 7.663 0.408
87 HB1 ALA 12 HB1 ALA 12 51.678 6.640 -1.817
88 HB2 ALA 12 HB2 ALA 12 52.111 8.365 -1.908
89 HB3 ALA 12 HB3 ALA 12 50.407 7.865 -2.040
90 H GLY 13 HN GLY 13 48.752 8.384 0.223
91 HA2 GLY 13 HA1 GLY 13 48.845 10.688 1.783
92 HA3 GLY 13 HA2 GLY 13 49.078 11.264 0.122
93 H LYS 14 HN LYS 14 46.876 9.866 2.446
94 HA LYS 14 HA LYS 14 44.575 10.896 1.052
95 HB2 LYS 14 HB2 LYS 14 45.156 8.864 -0.386
96 HB3 LYS 14 HB1 LYS 14 44.761 7.858 1.025
97 HG2 LYS 14 HG2 LYS 14 42.502 9.119 1.085
98 HG3 LYS 14 HG1 LYS 14 42.922 9.713 -0.538
99 HD2 LYS 14 HD2 LYS 14 42.674 6.794 0.317
100 HD3 LYS 14 HD1 LYS 14 41.545 7.689 -0.726
101 HE2 LYS 14 HE2 LYS 14 44.397 6.832 -1.327
102 HE3 LYS 14 HE1 LYS 14 42.914 6.477 -2.243
103 HZ1 LYS 14 HZ1 LYS 14 44.365 9.056 -2.027
104 HZ2 LYS 14 HZ2 LYS 14 42.758 8.971 -2.574
105 HZ3 LYS 14 HZ3 LYS 14 43.993 8.170 -3.424
106 H HIS 15 HN HIS 15 45.033 7.814 2.826
107 HA HIS 15 HA HIS 15 43.001 8.597 4.784
108 HB2 HIS 15 HB2 HIS 15 43.362 6.241 3.992
109 HB3 HIS 15 HB1 HIS 15 44.929 6.242 4.836
110 HD1 HIS 15 HD1 HIS 15 41.831 7.951 6.224
111 HD2 HIS 15 HD2 HIS 15 44.102 4.472 6.885
112 HE1 HIS 15 HE1 HIS 15 41.017 6.915 8.414
113 H ALA 16 HN ALA 16 46.343 9.130 4.386
114 HA ALA 16 HA ALA 16 47.164 9.072 7.151
115 HB1 ALA 16 HB1 ALA 16 48.245 10.527 4.717
116 HB2 ALA 16 HB2 ALA 16 48.827 8.996 5.417
117 HB3 ALA 16 HB3 ALA 16 49.045 10.523 6.307
118 H GLY 17 HN GLY 17 46.706 11.936 5.013
119 HA2 GLY 17 HA1 GLY 17 45.810 14.015 5.505
120 HA3 GLY 17 HA2 GLY 17 45.000 13.284 6.904
121 H LYS 18 HN LYS 18 48.030 12.398 7.487
122 HA LYS 18 HA LYS 18 48.439 14.364 9.540
123 HB2 LYS 18 HB2 LYS 18 50.297 12.320 8.262
124 HB3 LYS 18 HB1 LYS 18 50.750 13.326 9.660
125 HG2 LYS 18 HG2 LYS 18 49.032 12.371 11.033
126 HG3 LYS 18 HG1 LYS 18 48.241 11.603 9.636
127 HD2 LYS 18 HD2 LYS 18 49.528 9.934 10.923
128 HD3 LYS 18 HD1 LYS 18 50.237 10.158 9.307
129 HE2 LYS 18 HE2 LYS 18 52.060 11.424 10.152
130 HE3 LYS 18 HE1 LYS 18 51.239 11.743 11.701
131 HZ1 LYS 18 HZ1 LYS 18 51.559 9.549 12.390
132 HZ2 LYS 18 HZ2 LYS 18 53.038 9.964 11.665
133 HZ3 LYS 18 HZ3 LYS 18 51.922 8.992 10.831
134 H ALA 19 HN ALA 19 48.990 14.407 6.171
135 HA ALA 19 HA ALA 19 50.038 17.094 6.253
136 HB1 ALA 19 HB1 ALA 19 51.988 14.888 5.496
137 HB2 ALA 19 HB2 ALA 19 52.109 15.962 6.911
138 HB3 ALA 19 HB3 ALA 19 52.260 16.632 5.270
139 H ALA 20 HN ALA 20 48.654 14.412 4.829
140 HA ALA 20 HA ALA 20 49.179 15.068 2.029
141 HB1 ALA 20 HB1 ALA 20 46.976 13.365 3.241
142 HB2 ALA 20 HB2 ALA 20 48.612 12.785 2.851
143 HB3 ALA 20 HB3 ALA 20 47.535 13.350 1.551
144 H LEU 21 HN LEU 21 45.975 14.836 3.617
145 HA LEU 21 HA LEU 21 44.666 16.574 1.823
146 HB2 LEU 21 HB2 LEU 21 44.157 15.772 4.701
147 HB3 LEU 21 HB1 LEU 21 43.111 16.983 3.926
148 HG LEU 21 HG LEU 21 42.536 15.411 2.141
149 HD11 LEU 21 HD11 LEU 21 43.359 13.002 2.376
150 HD12 LEU 21 HD12 LEU 21 44.554 13.615 3.543
151 HD13 LEU 21 HD13 LEU 21 44.586 14.180 1.856
152 HD21 LEU 21 HD21 LEU 21 41.342 13.712 3.494
153 HD22 LEU 21 HD22 LEU 21 41.235 15.318 4.252
154 HD23 LEU 21 HD23 LEU 21 42.366 14.104 4.895
155 H THR 22 HN THR 22 46.625 17.304 4.680
156 HA THR 22 HA THR 22 45.888 20.014 5.055
157 HB THR 22 HB THR 22 47.922 20.281 6.259
158 HG1 THR 22 HG1 THR 22 49.558 19.761 5.014
159 HG21 THR 22 HG21 THR 22 46.359 18.424 7.060
160 HG22 THR 22 HG22 THR 22 48.041 18.314 7.633
161 HG23 THR 22 HG23 THR 22 47.482 17.271 6.303
162 H HIS 23 HN HIS 23 48.671 18.731 3.165
163 HA HIS 23 HA HIS 23 49.842 19.681 1.404
164 HB2 HIS 23 HB2 HIS 23 47.624 19.367 0.304
165 HB3 HIS 23 HB1 HIS 23 47.177 21.019 0.794
166 HD1 HIS 23 HD1 HIS 23 50.691 20.125 -0.328
167 HD2 HIS 23 HD2 HIS 23 47.286 22.092 -1.825
168 HE1 HIS 23 HE1 HIS 23 51.375 21.287 -2.498
169 H TYR 24 HN TYR 24 51.044 20.892 3.077
170 HA TYR 24 HA TYR 24 51.202 23.684 2.342
171 HB2 TYR 24 HB2 TYR 24 49.177 23.741 3.827
172 HB3 TYR 24 HB1 TYR 24 50.189 23.126 5.156
173 HD1 TYR 24 HD1 TYR 24 51.980 24.505 6.131
174 HD2 TYR 24 HD2 TYR 24 49.471 26.012 2.961
175 HE1 TYR 24 HE1 TYR 24 52.778 26.819 6.599
176 HE2 TYR 24 HE2 TYR 24 50.268 28.326 3.428
177 HH TYR 24 HH TYR 24 52.216 29.026 6.288
178 H LEU 25 HN LEU 25 51.808 21.321 4.970
179 HA LEU 25 HA LEU 25 54.202 22.502 5.949
180 HB2 LEU 25 HB2 LEU 25 53.599 19.525 5.783
181 HB3 LEU 25 HB1 LEU 25 54.677 20.339 6.937
182 HG LEU 25 HG LEU 25 51.677 20.868 6.725
183 HD11 LEU 25 HD11 LEU 25 52.211 18.534 7.449
184 HD12 LEU 25 HD12 LEU 25 51.462 19.496 8.746
185 HD13 LEU 25 HD13 LEU 25 53.216 19.197 8.760
186 HD21 LEU 25 HD21 LEU 25 53.883 21.775 8.620
187 HD22 LEU 25 HD22 LEU 25 52.171 21.791 9.107
188 HD23 LEU 25 HD23 LEU 25 52.710 22.772 7.728
Start of MODEL 46
1 H1 GLY 1 HT1 GLY 1 56.185 -6.776 -5.546
2 H2 GLY 1 HT2 GLY 1 56.957 -6.394 -4.082
3 H3 GLY 1 HT3 GLY 1 57.752 -7.343 -5.245
4 HA2 GLY 1 HA1 GLY 1 57.491 -4.511 -5.024
5 HA3 GLY 1 HA2 GLY 1 58.716 -5.489 -5.857
6 H TRP 2 HN TRP 2 55.822 -3.631 -6.138
7 HA TRP 2 HA TRP 2 56.095 -3.533 -9.027
8 HB2 TRP 2 HB2 TRP 2 54.954 -5.756 -8.731
9 HB3 TRP 2 HB1 TRP 2 53.597 -4.902 -7.957
10 HD1 TRP 2 HD1 TRP 2 51.900 -3.697 -9.484
11 HE1 TRP 2 HE1 TRP 2 51.604 -3.406 -12.050
12 HE3 TRP 2 HE3 TRP 2 56.428 -5.521 -11.029
13 HZ2 TRP 2 HZ2 TRP 2 53.147 -3.911 -14.429
14 HZ3 TRP 2 HZ3 TRP 2 56.993 -5.608 -13.452
15 HH2 TRP 2 HH2 TRP 2 55.359 -4.806 -15.152
16 H GLY 3 HN GLY 3 54.545 -2.067 -10.021
17 HA2 GLY 3 HA1 GLY 3 53.278 -0.131 -10.023
18 HA3 GLY 3 HA2 GLY 3 52.579 -0.664 -8.481
19 H SER 4 HN SER 4 53.337 0.131 -6.553
20 HA SER 4 HA SER 4 54.241 1.796 -5.210
21 HB2 SER 4 HB2 SER 4 56.716 1.471 -6.939
22 HB3 SER 4 HB1 SER 4 56.634 1.982 -5.238
23 HG SER 4 HG SER 4 56.054 -0.063 -4.664
24 H PHE 5 HN PHE 5 52.667 3.246 -6.373
25 HA PHE 5 HA PHE 5 53.458 4.951 -8.501
26 HB2 PHE 5 HB2 PHE 5 51.589 5.511 -6.164
27 HB3 PHE 5 HB1 PHE 5 51.688 6.479 -7.654
28 HD1 PHE 5 HD1 PHE 5 50.936 5.562 -9.815
29 HD2 PHE 5 HD2 PHE 5 50.614 3.267 -6.175
30 HE1 PHE 5 HE1 PHE 5 49.392 3.973 -10.954
31 HE2 PHE 5 HE2 PHE 5 49.069 1.678 -7.313
32 HZ PHE 5 HZ PHE 5 48.521 1.988 -9.724
33 H PHE 6 HN PHE 6 52.983 6.239 -5.209
34 HA PHE 6 HA PHE 6 55.738 7.300 -5.112
35 HB2 PHE 6 HB2 PHE 6 53.399 9.246 -5.169
36 HB3 PHE 6 HB1 PHE 6 55.135 9.633 -5.085
37 HD1 PHE 6 HD1 PHE 6 56.635 9.084 -7.042
38 HD2 PHE 6 HD2 PHE 6 52.336 8.770 -7.274
39 HE1 PHE 6 HE1 PHE 6 56.770 9.071 -9.530
40 HE2 PHE 6 HE2 PHE 6 52.472 8.756 -9.762
41 HZ PHE 6 HZ PHE 6 54.693 8.843 -10.888
42 H LYS 7 HN LYS 7 56.400 7.668 -3.061
43 HA LYS 7 HA LYS 7 54.725 6.701 -0.913
44 HB2 LYS 7 HB2 LYS 7 57.320 8.291 -0.826
45 HB3 LYS 7 HB1 LYS 7 56.586 7.426 0.546
46 HG2 LYS 7 HG2 LYS 7 56.826 5.290 -0.593
47 HG3 LYS 7 HG1 LYS 7 57.379 6.096 -2.080
48 HD2 LYS 7 HD2 LYS 7 59.354 6.985 -0.847
49 HD3 LYS 7 HD1 LYS 7 58.815 6.117 0.612
50 HE2 LYS 7 HE2 LYS 7 58.874 3.976 -0.776
51 HE3 LYS 7 HE1 LYS 7 59.691 4.920 -2.046
52 HZ1 LYS 7 HZ1 LYS 7 60.737 5.086 0.689
53 HZ2 LYS 7 HZ2 LYS 7 61.560 5.155 -0.795
54 HZ3 LYS 7 HZ3 LYS 7 61.033 3.661 -0.181
55 H LYS 8 HN LYS 8 56.359 9.883 -0.985
56 HA LYS 8 HA LYS 8 54.342 11.059 0.726
57 HB2 LYS 8 HB2 LYS 8 56.440 12.413 -1.017
58 HB3 LYS 8 HB1 LYS 8 55.553 13.155 0.336
59 HG2 LYS 8 HG2 LYS 8 56.511 11.435 1.873
60 HG3 LYS 8 HG1 LYS 8 57.453 10.775 0.514
61 HD2 LYS 8 HD2 LYS 8 58.523 13.019 0.212
62 HD3 LYS 8 HD1 LYS 8 57.646 13.599 1.650
63 HE2 LYS 8 HE2 LYS 8 58.737 11.855 3.026
64 HE3 LYS 8 HE1 LYS 8 59.608 11.264 1.592
65 HZ1 LYS 8 HZ1 LYS 8 59.836 14.113 2.157
66 HZ2 LYS 8 HZ2 LYS 8 61.011 13.011 1.617
67 HZ3 LYS 8 HZ3 LYS 8 60.599 13.077 3.264
68 H ALA 9 HN ALA 9 53.478 13.354 -0.049
69 HA ALA 9 HA ALA 9 51.768 14.328 -1.285
70 HB1 ALA 9 HB1 ALA 9 53.794 14.633 -2.765
71 HB2 ALA 9 HB2 ALA 9 52.230 14.658 -3.613
72 HB3 ALA 9 HB3 ALA 9 53.255 13.205 -3.678
73 H ALA 10 HN ALA 10 50.354 13.827 -3.482
74 HA ALA 10 HA ALA 10 48.564 12.567 -4.232
75 HB1 ALA 10 HB1 ALA 10 50.468 10.263 -3.679
76 HB2 ALA 10 HB2 ALA 10 50.357 11.198 -5.191
77 HB3 ALA 10 HB3 ALA 10 48.993 10.179 -4.670
78 H HIS 11 HN HIS 11 49.798 10.092 -1.977
79 HA HIS 11 HA HIS 11 47.542 10.649 -0.098
80 HB2 HIS 11 HB2 HIS 11 46.907 8.229 -0.124
81 HB3 HIS 11 HB1 HIS 11 46.564 9.055 -1.663
82 HD1 HIS 11 HD1 HIS 11 49.171 9.040 -3.135
83 HD2 HIS 11 HD2 HIS 11 47.855 5.743 -0.878
84 HE1 HIS 11 HE1 HIS 11 50.416 6.981 -3.996
85 H ALA 12 HN ALA 12 48.787 11.083 1.636
86 HA ALA 12 HA ALA 12 51.263 9.748 2.217
87 HB1 ALA 12 HB1 ALA 12 51.111 10.833 4.381
88 HB2 ALA 12 HB2 ALA 12 49.370 11.125 4.153
89 HB3 ALA 12 HB3 ALA 12 50.556 11.966 3.126
90 H GLY 13 HN GLY 13 48.239 8.454 2.096
91 HA2 GLY 13 HA1 GLY 13 49.017 6.048 3.442
92 HA3 GLY 13 HA2 GLY 13 47.952 6.994 4.501
93 H LYS 14 HN LYS 14 45.990 7.967 3.175
94 HA LYS 14 HA LYS 14 44.983 6.325 1.012
95 HB2 LYS 14 HB2 LYS 14 43.037 5.386 2.415
96 HB3 LYS 14 HB1 LYS 14 44.620 4.597 2.610
97 HG2 LYS 14 HG2 LYS 14 45.059 5.883 4.646
98 HG3 LYS 14 HG1 LYS 14 43.547 6.797 4.431
99 HD2 LYS 14 HD2 LYS 14 42.246 4.697 4.640
100 HD3 LYS 14 HD1 LYS 14 43.759 3.784 4.859
101 HE2 LYS 14 HE2 LYS 14 42.796 4.233 7.055
102 HE3 LYS 14 HE1 LYS 14 44.267 5.217 6.866
103 HZ1 LYS 14 HZ1 LYS 14 43.074 7.057 7.090
104 HZ2 LYS 14 HZ2 LYS 14 41.712 6.106 7.455
105 HZ3 LYS 14 HZ3 LYS 14 42.005 6.599 5.855
106 H HIS 15 HN HIS 15 45.124 8.854 0.764
107 HA HIS 15 HA HIS 15 43.946 10.830 0.480
108 HB2 HIS 15 HB2 HIS 15 41.483 9.071 0.793
109 HB3 HIS 15 HB1 HIS 15 41.583 10.645 -0.033
110 HD1 HIS 15 HD1 HIS 15 44.633 9.495 -1.071
111 HD2 HIS 15 HD2 HIS 15 40.756 8.100 -1.919
112 HE1 HIS 15 HE1 HIS 15 44.759 8.176 -3.256
113 H ALA 16 HN ALA 16 44.224 9.354 3.310
114 HA ALA 16 HA ALA 16 43.305 11.651 4.814
115 HB1 ALA 16 HB1 ALA 16 41.109 10.684 4.524
116 HB2 ALA 16 HB2 ALA 16 41.631 10.404 6.202
117 HB3 ALA 16 HB3 ALA 16 41.703 9.080 5.016
118 H GLY 17 HN GLY 17 45.773 10.802 4.754
119 HA2 GLY 17 HA1 GLY 17 46.363 8.678 6.643
120 HA3 GLY 17 HA2 GLY 17 47.513 9.847 5.964
121 H LYS 18 HN LYS 18 44.795 9.628 8.292
122 HA LYS 18 HA LYS 18 44.514 10.626 10.362
123 HB2 LYS 18 HB2 LYS 18 47.527 11.008 10.418
124 HB3 LYS 18 HB1 LYS 18 46.417 10.817 11.798
125 HG2 LYS 18 HG2 LYS 18 45.833 8.506 10.803
126 HG3 LYS 18 HG1 LYS 18 47.251 8.722 9.752
127 HD2 LYS 18 HD2 LYS 18 47.236 8.738 12.803
128 HD3 LYS 18 HD1 LYS 18 47.894 7.460 11.756
129 HE2 LYS 18 HE2 LYS 18 48.933 10.282 12.172
130 HE3 LYS 18 HE1 LYS 18 49.795 8.740 12.379
131 HZ1 LYS 18 HZ1 LYS 18 48.853 9.905 9.807
132 HZ2 LYS 18 HZ2 LYS 18 49.575 8.378 9.973
133 HZ3 LYS 18 HZ3 LYS 18 50.461 9.783 10.331
134 H ALA 19 HN ALA 19 45.411 12.218 7.683
135 HA ALA 19 HA ALA 19 44.555 14.778 8.647
136 HB1 ALA 19 HB1 ALA 19 47.546 14.399 8.288
137 HB2 ALA 19 HB2 ALA 19 46.688 14.976 9.736
138 HB3 ALA 19 HB3 ALA 19 46.746 15.988 8.274
139 H ALA 20 HN ALA 20 44.302 16.291 6.961
140 HA ALA 20 HA ALA 20 43.763 15.239 4.415
141 HB1 ALA 20 HB1 ALA 20 42.907 17.395 5.130
142 HB2 ALA 20 HB2 ALA 20 43.842 17.608 3.631
143 HB3 ALA 20 HB3 ALA 20 44.553 18.066 5.197
144 H LEU 21 HN LEU 21 45.398 13.893 3.661
145 HA LEU 21 HA LEU 21 47.363 13.363 2.553
146 HB2 LEU 21 HB2 LEU 21 46.976 16.269 1.754
147 HB3 LEU 21 HB1 LEU 21 48.355 15.320 1.153
148 HG LEU 21 HG LEU 21 46.840 13.657 0.183
149 HD11 LEU 21 HD11 LEU 21 44.711 15.338 1.564
150 HD12 LEU 21 HD12 LEU 21 44.988 13.582 1.677
151 HD13 LEU 21 HD13 LEU 21 44.317 14.281 0.186
152 HD21 LEU 21 HD21 LEU 21 45.858 16.456 -0.526
153 HD22 LEU 21 HD22 LEU 21 45.898 15.027 -1.586
154 HD23 LEU 21 HD23 LEU 21 47.419 15.790 -1.063
155 H THR 22 HN THR 22 48.306 16.732 3.239
156 HA THR 22 HA THR 22 50.009 15.927 5.497
157 HB THR 22 HB THR 22 51.455 17.065 3.067
158 HG1 THR 22 HG1 THR 22 51.212 15.177 2.208
159 HG21 THR 22 HG21 THR 22 52.537 15.354 5.330
160 HG22 THR 22 HG22 THR 22 52.371 17.117 5.499
161 HG23 THR 22 HG23 THR 22 53.426 16.440 4.238
162 H HIS 23 HN HIS 23 47.872 17.689 5.344
163 HA HIS 23 HA HIS 23 47.279 19.904 5.725
164 HB2 HIS 23 HB2 HIS 23 48.708 19.369 7.725
165 HB3 HIS 23 HB1 HIS 23 50.093 20.089 6.869
166 HD1 HIS 23 HD1 HIS 23 49.949 22.679 6.290
167 HD2 HIS 23 HD2 HIS 23 46.985 21.233 8.896
168 HE1 HIS 23 HE1 HIS 23 48.820 24.707 7.358
169 H TYR 24 HN TYR 24 47.029 20.842 3.741
170 HA TYR 24 HA TYR 24 49.006 22.845 3.007
171 HB2 TYR 24 HB2 TYR 24 50.040 20.760 2.051
172 HB3 TYR 24 HB1 TYR 24 48.589 20.561 1.039
173 HD1 TYR 24 HD1 TYR 24 48.033 22.229 -0.717
174 HD2 TYR 24 HD2 TYR 24 51.670 22.506 1.590
175 HE1 TYR 24 HE1 TYR 24 48.962 23.840 -2.375
176 HE2 TYR 24 HE2 TYR 24 52.599 24.116 -0.068
177 HH TYR 24 HH TYR 24 52.113 25.416 -1.841
178 H LEU 25 HN LEU 25 46.089 20.979 2.351
179 HA LEU 25 HA LEU 25 45.060 22.777 0.315
180 HB2 LEU 25 HB2 LEU 25 43.844 20.624 2.078
181 HB3 LEU 25 HB1 LEU 25 42.827 21.620 1.011
182 HG LEU 25 HG LEU 25 44.124 20.911 -0.948
183 HD11 LEU 25 HD11 LEU 25 45.824 19.508 1.152
184 HD12 LEU 25 HD12 LEU 25 46.346 20.636 -0.125
185 HD13 LEU 25 HD13 LEU 25 45.823 18.991 -0.551
186 HD21 LEU 25 HD21 LEU 25 43.452 18.470 0.751
187 HD22 LEU 25 HD22 LEU 25 43.399 18.600 -1.024
188 HD23 LEU 25 HD23 LEU 25 42.223 19.493 -0.030
Start of MODEL 47
1 H1 GLY 1 HT1 GLY 1 61.677 -5.507 -10.111
2 H2 GLY 1 HT2 GLY 1 62.673 -6.520 -11.043
3 H3 GLY 1 HT3 GLY 1 61.029 -6.894 -10.838
4 HA2 GLY 1 HA1 GLY 1 61.738 -5.893 -13.014
5 HA3 GLY 1 HA2 GLY 1 60.312 -5.228 -12.194
6 H TRP 2 HN TRP 2 61.242 -3.559 -13.934
7 HA TRP 2 HA TRP 2 63.462 -1.929 -13.053
8 HB2 TRP 2 HB2 TRP 2 61.149 -1.073 -14.828
9 HB3 TRP 2 HB1 TRP 2 62.802 -0.413 -14.795
10 HD1 TRP 2 HD1 TRP 2 60.734 -3.282 -16.141
11 HE1 TRP 2 HE1 TRP 2 62.165 -4.747 -17.746
12 HE3 TRP 2 HE3 TRP 2 65.331 -1.223 -15.227
13 HZ2 TRP 2 HZ2 TRP 2 64.933 -4.967 -18.505
14 HZ3 TRP 2 HZ3 TRP 2 67.354 -2.077 -16.403
15 HH2 TRP 2 HH2 TRP 2 67.159 -3.945 -18.039
16 H GLY 3 HN GLY 3 60.023 -0.943 -13.341
17 HA2 GLY 3 HA1 GLY 3 60.334 1.214 -11.475
18 HA3 GLY 3 HA2 GLY 3 58.798 0.550 -12.067
19 H SER 4 HN SER 4 58.017 -1.468 -11.052
20 HA SER 4 HA SER 4 57.328 -2.542 -9.114
21 HB2 SER 4 HB2 SER 4 59.590 -3.537 -9.316
22 HB3 SER 4 HB1 SER 4 60.254 -2.207 -8.343
23 HG SER 4 HG SER 4 59.367 -4.411 -7.407
24 H PHE 5 HN PHE 5 57.927 0.598 -9.226
25 HA PHE 5 HA PHE 5 58.148 1.268 -6.391
26 HB2 PHE 5 HB2 PHE 5 58.875 2.751 -8.305
27 HB3 PHE 5 HB1 PHE 5 57.155 3.018 -8.673
28 HD1 PHE 5 HD1 PHE 5 59.759 3.375 -6.004
29 HD2 PHE 5 HD2 PHE 5 55.842 4.558 -7.381
30 HE1 PHE 5 HE1 PHE 5 59.664 5.124 -4.233
31 HE2 PHE 5 HE2 PHE 5 55.749 6.308 -5.608
32 HZ PHE 5 HZ PHE 5 57.685 6.630 -4.075
33 H PHE 6 HN PHE 6 56.556 0.471 -5.121
34 HA PHE 6 HA PHE 6 53.813 0.227 -5.903
35 HB2 PHE 6 HB2 PHE 6 53.420 0.105 -3.392
36 HB3 PHE 6 HB1 PHE 6 54.621 -1.043 -4.030
37 HD1 PHE 6 HD1 PHE 6 57.058 -0.625 -3.725
38 HD2 PHE 6 HD2 PHE 6 54.077 1.930 -1.930
39 HE1 PHE 6 HE1 PHE 6 58.789 0.330 -2.208
40 HE2 PHE 6 HE2 PHE 6 55.809 2.883 -0.414
41 HZ PHE 6 HZ PHE 6 58.180 2.146 -0.615
42 H LYS 7 HN LYS 7 52.117 1.590 -5.891
43 HA LYS 7 HA LYS 7 52.651 4.438 -5.619
44 HB2 LYS 7 HB2 LYS 7 50.139 2.792 -6.086
45 HB3 LYS 7 HB1 LYS 7 50.085 4.559 -5.907
46 HG2 LYS 7 HG2 LYS 7 50.209 4.031 -8.276
47 HG3 LYS 7 HG1 LYS 7 51.757 4.751 -7.780
48 HD2 LYS 7 HD2 LYS 7 52.887 2.659 -7.820
49 HD3 LYS 7 HD1 LYS 7 51.366 1.732 -7.800
50 HE2 LYS 7 HE2 LYS 7 52.246 3.544 -10.089
51 HE3 LYS 7 HE1 LYS 7 52.483 1.781 -10.056
52 HZ1 LYS 7 HZ1 LYS 7 49.789 2.707 -9.468
53 HZ2 LYS 7 HZ2 LYS 7 50.310 1.400 -10.419
54 HZ3 LYS 7 HZ3 LYS 7 50.314 2.974 -11.058
55 H LYS 8 HN LYS 8 51.922 5.891 -4.077
56 HA LYS 8 HA LYS 8 51.701 4.790 -1.379
57 HB2 LYS 8 HB2 LYS 8 51.468 7.621 -2.472
58 HB3 LYS 8 HB1 LYS 8 51.447 7.206 -0.741
59 HG2 LYS 8 HG2 LYS 8 53.674 6.068 -1.047
60 HG3 LYS 8 HG1 LYS 8 53.702 6.671 -2.721
61 HD2 LYS 8 HD2 LYS 8 53.659 8.979 -1.958
62 HD3 LYS 8 HD1 LYS 8 53.416 8.462 -0.272
63 HE2 LYS 8 HE2 LYS 8 55.627 7.254 -0.391
64 HE3 LYS 8 HE1 LYS 8 55.875 7.965 -2.004
65 HZ1 LYS 8 HZ1 LYS 8 55.245 10.134 -0.596
66 HZ2 LYS 8 HZ2 LYS 8 56.840 9.586 -0.798
67 HZ3 LYS 8 HZ3 LYS 8 55.987 9.218 0.623
68 H ALA 9 HN ALA 9 49.534 4.722 -3.757
69 HA ALA 9 HA ALA 9 47.222 4.635 -3.849
70 HB1 ALA 9 HB1 ALA 9 47.400 4.375 -0.828
71 HB2 ALA 9 HB2 ALA 9 47.641 3.034 -1.973
72 HB3 ALA 9 HB3 ALA 9 46.062 3.848 -1.876
73 H ALA 10 HN ALA 10 45.192 5.738 -3.305
74 HA ALA 10 HA ALA 10 45.634 8.589 -3.105
75 HB1 ALA 10 HB1 ALA 10 43.073 6.963 -2.946
76 HB2 ALA 10 HB2 ALA 10 43.805 7.630 -4.425
77 HB3 ALA 10 HB3 ALA 10 43.170 8.725 -3.172
78 H HIS 11 HN HIS 11 45.721 9.881 -1.389
79 HA HIS 11 HA HIS 11 45.503 8.730 1.286
80 HB2 HIS 11 HB2 HIS 11 45.909 11.576 0.290
81 HB3 HIS 11 HB1 HIS 11 45.947 11.102 2.005
82 HD1 HIS 11 HD1 HIS 11 48.149 11.615 -0.789
83 HD2 HIS 11 HD2 HIS 11 47.957 8.792 2.325
84 HE1 HIS 11 HE1 HIS 11 50.455 10.529 -0.602
85 H ALA 12 HN ALA 12 44.091 9.417 2.964
86 HA ALA 12 HA ALA 12 41.799 11.101 2.431
87 HB1 ALA 12 HB1 ALA 12 41.323 8.099 2.479
88 HB2 ALA 12 HB2 ALA 12 41.098 9.174 1.078
89 HB3 ALA 12 HB3 ALA 12 40.061 9.353 2.514
90 H GLY 13 HN GLY 13 43.951 9.485 4.340
91 HA2 GLY 13 HA1 GLY 13 43.006 10.584 6.774
92 HA3 GLY 13 HA2 GLY 13 42.439 8.904 6.695
93 H LYS 14 HN LYS 14 45.447 10.640 5.773
94 HA LYS 14 HA LYS 14 46.994 9.189 7.789
95 HB2 LYS 14 HB2 LYS 14 46.570 7.547 5.824
96 HB3 LYS 14 HB1 LYS 14 47.682 8.572 4.892
97 HG2 LYS 14 HG2 LYS 14 49.329 8.283 6.879
98 HG3 LYS 14 HG1 LYS 14 48.253 6.978 7.422
99 HD2 LYS 14 HD2 LYS 14 49.675 7.151 4.729
100 HD3 LYS 14 HD1 LYS 14 50.057 6.031 6.059
101 HE2 LYS 14 HE2 LYS 14 47.598 6.079 4.278
102 HE3 LYS 14 HE1 LYS 14 48.733 4.740 4.568
103 HZ1 LYS 14 HZ1 LYS 14 46.950 4.185 5.894
104 HZ2 LYS 14 HZ2 LYS 14 46.605 5.791 6.322
105 HZ3 LYS 14 HZ3 LYS 14 47.944 4.997 7.003
106 H HIS 15 HN HIS 15 49.164 9.480 5.394
107 HA HIS 15 HA HIS 15 50.485 11.725 6.421
108 HB2 HIS 15 HB2 HIS 15 50.484 10.658 3.570
109 HB3 HIS 15 HB1 HIS 15 51.676 11.804 4.228
110 HD1 HIS 15 HD1 HIS 15 52.630 10.815 6.774
111 HD2 HIS 15 HD2 HIS 15 51.580 8.138 3.708
112 HE1 HIS 15 HE1 HIS 15 53.750 8.578 7.297
113 H ALA 16 HN ALA 16 47.545 11.670 4.708
114 HA ALA 16 HA ALA 16 47.486 14.608 4.641
115 HB1 ALA 16 HB1 ALA 16 47.428 12.988 2.073
116 HB2 ALA 16 HB2 ALA 16 48.599 14.250 2.528
117 HB3 ALA 16 HB3 ALA 16 46.903 14.683 2.201
118 H GLY 17 HN GLY 17 45.891 13.692 6.255
119 HA2 GLY 17 HA1 GLY 17 43.270 14.095 5.339
120 HA3 GLY 17 HA2 GLY 17 43.539 12.342 5.274
121 H LYS 18 HN LYS 18 45.480 13.747 7.645
122 HA LYS 18 HA LYS 18 43.540 13.965 9.784
123 HB2 LYS 18 HB2 LYS 18 43.537 11.466 9.353
124 HB3 LYS 18 HB1 LYS 18 45.251 11.450 9.835
125 HG2 LYS 18 HG2 LYS 18 44.679 12.359 12.039
126 HG3 LYS 18 HG1 LYS 18 42.969 12.501 11.565
127 HD2 LYS 18 HD2 LYS 18 42.802 10.070 11.296
128 HD3 LYS 18 HD1 LYS 18 44.536 9.886 11.656
129 HE2 LYS 18 HE2 LYS 18 44.155 10.877 13.912
130 HE3 LYS 18 HE1 LYS 18 42.416 10.989 13.552
131 HZ1 LYS 18 HZ1 LYS 18 43.003 8.978 14.808
132 HZ2 LYS 18 HZ2 LYS 18 44.004 8.468 13.534
133 HZ3 LYS 18 HZ3 LYS 18 42.327 8.607 13.297
134 H ALA 19 HN ALA 19 46.816 13.552 8.592
135 HA ALA 19 HA ALA 19 48.099 14.305 11.106
136 HB1 ALA 19 HB1 ALA 19 49.196 14.369 8.273
137 HB2 ALA 19 HB2 ALA 19 49.200 12.940 9.334
138 HB3 ALA 19 HB3 ALA 19 50.136 14.386 9.783
139 H ALA 20 HN ALA 20 46.989 15.955 8.172
140 HA ALA 20 HA ALA 20 46.912 18.505 9.543
141 HB1 ALA 20 HB1 ALA 20 48.639 19.687 8.381
142 HB2 ALA 20 HB2 ALA 20 48.989 18.283 7.345
143 HB3 ALA 20 HB3 ALA 20 49.387 18.232 9.080
144 H LEU 21 HN LEU 21 45.505 16.494 7.682
145 HA LEU 21 HA LEU 21 44.011 16.601 5.911
146 HB2 LEU 21 HB2 LEU 21 43.967 19.610 6.315
147 HB3 LEU 21 HB1 LEU 21 42.647 18.540 5.782
148 HG LEU 21 HG LEU 21 43.920 18.614 8.554
149 HD11 LEU 21 HD11 LEU 21 42.374 20.480 8.091
150 HD12 LEU 21 HD12 LEU 21 41.638 19.336 9.239
151 HD13 LEU 21 HD13 LEU 21 41.135 19.332 7.531
152 HD21 LEU 21 HD21 LEU 21 41.962 16.989 9.044
153 HD22 LEU 21 HD22 LEU 21 43.350 16.324 8.154
154 HD23 LEU 21 HD23 LEU 21 41.861 16.762 7.281
155 H THR 22 HN THR 22 43.644 19.012 4.189
156 HA THR 22 HA THR 22 45.685 18.293 2.219
157 HB THR 22 HB THR 22 43.793 20.660 1.935
158 HG1 THR 22 HG1 THR 22 43.074 18.205 2.593
159 HG21 THR 22 HG21 THR 22 43.734 19.853 -0.417
160 HG22 THR 22 HG22 THR 22 44.826 18.518 0.019
161 HG23 THR 22 HG23 THR 22 45.397 20.200 0.108
162 H HIS 23 HN HIS 23 46.627 19.507 4.736
163 HA HIS 23 HA HIS 23 48.057 21.194 5.457
164 HB2 HIS 23 HB2 HIS 23 49.445 20.048 3.730
165 HB3 HIS 23 HB1 HIS 23 48.855 21.212 2.520
166 HD1 HIS 23 HD1 HIS 23 49.509 23.765 2.870
167 HD2 HIS 23 HD2 HIS 23 51.504 21.023 5.356
168 HE1 HIS 23 HE1 HIS 23 51.485 24.993 3.926
169 H TYR 24 HN TYR 24 46.451 22.729 6.000
170 HA TYR 24 HA TYR 24 45.462 24.620 4.025
171 HB2 TYR 24 HB2 TYR 24 44.221 24.064 6.095
172 HB3 TYR 24 HB1 TYR 24 45.519 24.804 7.064
173 HD1 TYR 24 HD1 TYR 24 42.712 25.439 4.738
174 HD2 TYR 24 HD2 TYR 24 45.880 27.238 7.052
175 HE1 TYR 24 HE1 TYR 24 41.671 27.680 4.420
176 HE2 TYR 24 HE2 TYR 24 44.840 29.479 6.733
177 HH TYR 24 HH TYR 24 41.614 29.807 5.445
178 H LEU 25 HN LEU 25 46.256 26.524 3.367
179 HA LEU 25 HA LEU 25 48.998 27.203 4.070
180 HB2 LEU 25 HB2 LEU 25 47.030 28.985 2.593
181 HB3 LEU 25 HB1 LEU 25 48.801 28.928 2.441
182 HG LEU 25 HG LEU 25 46.860 26.714 1.631
183 HD11 LEU 25 HD11 LEU 25 47.497 27.292 -0.654
184 HD12 LEU 25 HD12 LEU 25 48.648 28.514 -0.062
185 HD13 LEU 25 HD13 LEU 25 46.900 28.756 0.163
186 HD21 LEU 25 HD21 LEU 25 49.038 25.806 0.553
187 HD22 LEU 25 HD22 LEU 25 48.885 25.640 2.317
188 HD23 LEU 25 HD23 LEU 25 49.901 26.930 1.630
Start of MODEL 48
1 H1 GLY 1 HT1 GLY 1 61.845 -4.478 -10.385
2 H2 GLY 1 HT2 GLY 1 61.693 -3.438 -11.720
3 H3 GLY 1 HT3 GLY 1 60.307 -3.999 -10.913
4 HA2 GLY 1 HA1 GLY 1 60.341 -2.332 -9.549
5 HA3 GLY 1 HA2 GLY 1 61.986 -2.788 -9.057
6 H TRP 2 HN TRP 2 60.351 -0.211 -9.887
7 HA TRP 2 HA TRP 2 62.714 1.123 -11.040
8 HB2 TRP 2 HB2 TRP 2 60.084 1.044 -12.577
9 HB3 TRP 2 HB1 TRP 2 61.510 2.026 -12.993
10 HD1 TRP 2 HD1 TRP 2 60.023 -1.350 -13.466
11 HE1 TRP 2 HE1 TRP 2 61.672 -2.935 -14.703
12 HE3 TRP 2 HE3 TRP 2 64.265 1.496 -13.149
13 HZ2 TRP 2 HZ2 TRP 2 64.458 -2.934 -15.439
14 HZ3 TRP 2 HZ3 TRP 2 66.408 0.684 -14.124
15 HH2 TRP 2 HH2 TRP 2 66.507 -1.526 -15.268
16 H GLY 3 HN GLY 3 59.331 1.197 -9.967
17 HA2 GLY 3 HA1 GLY 3 59.837 3.545 -8.351
18 HA3 GLY 3 HA2 GLY 3 58.890 3.948 -9.797
19 H SER 4 HN SER 4 58.407 0.736 -8.795
20 HA SER 4 HA SER 4 56.524 -0.304 -7.923
21 HB2 SER 4 HB2 SER 4 56.697 2.059 -6.015
22 HB3 SER 4 HB1 SER 4 55.679 0.625 -5.761
23 HG SER 4 HG SER 4 57.650 -0.614 -5.935
24 H PHE 5 HN PHE 5 55.093 -0.136 -9.628
25 HA PHE 5 HA PHE 5 53.633 2.225 -10.301
26 HB2 PHE 5 HB2 PHE 5 52.050 0.612 -11.418
27 HB3 PHE 5 HB1 PHE 5 53.759 0.375 -11.855
28 HD1 PHE 5 HD1 PHE 5 50.874 -0.996 -9.992
29 HD2 PHE 5 HD2 PHE 5 55.032 -1.551 -11.004
30 HE1 PHE 5 HE1 PHE 5 50.759 -3.346 -9.172
31 HE2 PHE 5 HE2 PHE 5 54.918 -3.901 -10.183
32 HZ PHE 5 HZ PHE 5 52.801 -4.774 -9.201
33 H PHE 6 HN PHE 6 52.839 -0.534 -8.165
34 HA PHE 6 HA PHE 6 50.191 0.275 -7.516
35 HB2 PHE 6 HB2 PHE 6 51.159 -1.936 -6.948
36 HB3 PHE 6 HB1 PHE 6 52.217 -1.155 -5.748
37 HD1 PHE 6 HD1 PHE 6 51.312 -0.232 -3.668
38 HD2 PHE 6 HD2 PHE 6 48.731 -2.089 -6.586
39 HE1 PHE 6 HE1 PHE 6 49.477 -0.325 -1.984
40 HE2 PHE 6 HE2 PHE 6 46.895 -2.182 -4.903
41 HZ PHE 6 HZ PHE 6 47.276 -1.322 -2.596
42 H LYS 7 HN LYS 7 53.117 0.659 -5.461
43 HA LYS 7 HA LYS 7 53.632 2.257 -3.869
44 HB2 LYS 7 HB2 LYS 7 53.669 3.722 -5.870
45 HB3 LYS 7 HB1 LYS 7 51.939 4.068 -5.635
46 HG2 LYS 7 HG2 LYS 7 52.332 5.185 -3.556
47 HG3 LYS 7 HG1 LYS 7 53.998 4.566 -3.450
48 HD2 LYS 7 HD2 LYS 7 53.937 6.953 -4.159
49 HD3 LYS 7 HD1 LYS 7 54.648 5.907 -5.409
50 HE2 LYS 7 HE2 LYS 7 52.695 6.001 -6.763
51 HE3 LYS 7 HE1 LYS 7 51.687 6.602 -5.423
52 HZ1 LYS 7 HZ1 LYS 7 52.938 8.660 -5.447
53 HZ2 LYS 7 HZ2 LYS 7 52.286 8.360 -6.988
54 HZ3 LYS 7 HZ3 LYS 7 53.937 8.086 -6.693
55 H LYS 8 HN LYS 8 52.833 3.534 -2.077
56 HA LYS 8 HA LYS 8 50.370 2.410 -1.021
57 HB2 LYS 8 HB2 LYS 8 52.156 4.664 -0.020
58 HB3 LYS 8 HB1 LYS 8 50.821 3.933 0.904
59 HG2 LYS 8 HG2 LYS 8 51.910 1.752 0.859
60 HG3 LYS 8 HG1 LYS 8 53.190 2.372 -0.213
61 HD2 LYS 8 HD2 LYS 8 53.909 3.957 1.544
62 HD3 LYS 8 HD1 LYS 8 52.622 3.358 2.617
63 HE2 LYS 8 HE2 LYS 8 54.958 1.741 1.509
64 HE3 LYS 8 HE1 LYS 8 54.731 2.257 3.197
65 HZ1 LYS 8 HZ1 LYS 8 52.413 1.006 2.690
66 HZ2 LYS 8 HZ2 LYS 8 53.765 0.257 3.398
67 HZ3 LYS 8 HZ3 LYS 8 53.473 0.092 1.732
68 H ALA 9 HN ALA 9 48.393 3.374 -0.644
69 HA ALA 9 HA ALA 9 47.900 6.171 -1.218
70 HB1 ALA 9 HB1 ALA 9 48.198 5.347 -3.535
71 HB2 ALA 9 HB2 ALA 9 46.534 5.901 -3.226
72 HB3 ALA 9 HB3 ALA 9 46.900 4.160 -3.264
73 H ALA 10 HN ALA 10 47.408 4.135 0.834
74 HA ALA 10 HA ALA 10 44.601 3.398 0.721
75 HB1 ALA 10 HB1 ALA 10 46.129 2.119 2.089
76 HB2 ALA 10 HB2 ALA 10 44.938 2.903 3.154
77 HB3 ALA 10 HB3 ALA 10 46.583 3.568 3.015
78 H HIS 11 HN HIS 11 46.453 5.935 2.457
79 HA HIS 11 HA HIS 11 44.263 7.817 2.232
80 HB2 HIS 11 HB2 HIS 11 43.717 7.998 4.634
81 HB3 HIS 11 HB1 HIS 11 43.293 6.391 3.996
82 HD1 HIS 11 HD1 HIS 11 45.522 4.614 4.212
83 HD2 HIS 11 HD2 HIS 11 45.188 7.785 6.952
84 HE1 HIS 11 HE1 HIS 11 46.918 3.999 6.262
85 H ALA 12 HN ALA 12 46.937 6.910 4.462
86 HA ALA 12 HA ALA 12 48.732 8.157 5.227
87 HB1 ALA 12 HB1 ALA 12 49.868 9.575 3.568
88 HB2 ALA 12 HB2 ALA 12 48.432 9.502 2.518
89 HB3 ALA 12 HB3 ALA 12 49.367 8.025 2.855
90 H GLY 13 HN GLY 13 49.546 10.399 5.755
91 HA2 GLY 13 HA1 GLY 13 49.146 12.433 6.775
92 HA3 GLY 13 HA2 GLY 13 47.879 12.688 5.559
93 H LYS 14 HN LYS 14 45.746 11.731 5.970
94 HA LYS 14 HA LYS 14 45.130 10.928 8.730
95 HB2 LYS 14 HB2 LYS 14 45.290 13.394 8.958
96 HB3 LYS 14 HB1 LYS 14 44.084 13.581 7.661
97 HG2 LYS 14 HG2 LYS 14 42.383 12.475 8.974
98 HG3 LYS 14 HG1 LYS 14 43.572 11.989 10.207
99 HD2 LYS 14 HD2 LYS 14 44.006 14.400 10.702
100 HD3 LYS 14 HD1 LYS 14 42.742 14.845 9.529
101 HE2 LYS 14 HE2 LYS 14 41.055 13.633 10.838
102 HE3 LYS 14 HE1 LYS 14 42.304 13.079 11.978
103 HZ1 LYS 14 HZ1 LYS 14 41.034 15.061 12.731
104 HZ2 LYS 14 HZ2 LYS 14 41.695 15.942 11.437
105 HZ3 LYS 14 HZ3 LYS 14 42.708 15.317 12.649
106 H HIS 15 HN HIS 15 43.649 12.413 5.804
107 HA HIS 15 HA HIS 15 42.198 9.991 5.169
108 HB2 HIS 15 HB2 HIS 15 40.904 10.794 7.180
109 HB3 HIS 15 HB1 HIS 15 40.515 12.274 6.272
110 HD1 HIS 15 HD1 HIS 15 38.485 12.187 4.814
111 HD2 HIS 15 HD2 HIS 15 40.018 8.354 5.616
112 HE1 HIS 15 HE1 HIS 15 36.853 10.490 3.819
113 H ALA 16 HN ALA 16 43.916 12.067 3.972
114 HA ALA 16 HA ALA 16 42.411 12.400 1.512
115 HB1 ALA 16 HB1 ALA 16 41.450 14.238 2.932
116 HB2 ALA 16 HB2 ALA 16 42.263 14.806 1.453
117 HB3 ALA 16 HB3 ALA 16 43.081 14.943 3.029
118 H GLY 17 HN GLY 17 45.103 13.694 3.497
119 HA2 GLY 17 HA1 GLY 17 47.373 13.756 3.004
120 HA3 GLY 17 HA2 GLY 17 47.057 12.776 1.558
121 H LYS 18 HN LYS 18 45.896 13.983 -0.255
122 HA LYS 18 HA LYS 18 47.539 16.078 -1.175
123 HB2 LYS 18 HB2 LYS 18 45.942 14.672 -2.541
124 HB3 LYS 18 HB1 LYS 18 44.611 15.665 -1.901
125 HG2 LYS 18 HG2 LYS 18 45.496 17.663 -2.919
126 HG3 LYS 18 HG1 LYS 18 47.023 16.850 -3.338
127 HD2 LYS 18 HD2 LYS 18 45.795 15.324 -4.856
128 HD3 LYS 18 HD1 LYS 18 44.269 16.143 -4.443
129 HE2 LYS 18 HE2 LYS 18 46.692 17.365 -5.831
130 HE3 LYS 18 HE1 LYS 18 45.082 17.078 -6.535
131 HZ1 LYS 18 HZ1 LYS 18 45.045 19.307 -5.936
132 HZ2 LYS 18 HZ2 LYS 18 45.885 19.052 -4.481
133 HZ3 LYS 18 HZ3 LYS 18 44.266 18.559 -4.628
134 H ALA 19 HN ALA 19 45.231 16.134 1.307
135 HA ALA 19 HA ALA 19 45.467 19.082 1.510
136 HB1 ALA 19 HB1 ALA 19 42.734 17.761 1.484
137 HB2 ALA 19 HB2 ALA 19 43.431 18.622 0.090
138 HB3 ALA 19 HB3 ALA 19 43.103 19.497 1.605
139 H ALA 20 HN ALA 20 46.710 17.253 3.081
140 HA ALA 20 HA ALA 20 45.539 17.861 5.688
141 HB1 ALA 20 HB1 ALA 20 45.804 14.931 4.942
142 HB2 ALA 20 HB2 ALA 20 44.258 15.815 4.920
143 HB3 ALA 20 HB3 ALA 20 45.152 15.621 6.447
144 H LEU 21 HN LEU 21 47.716 15.462 4.120
145 HA LEU 21 HA LEU 21 49.651 15.372 6.162
146 HB2 LEU 21 HB2 LEU 21 49.715 13.799 4.330
147 HB3 LEU 21 HB1 LEU 21 49.919 15.104 3.141
148 HG LEU 21 HG LEU 21 52.152 15.599 3.960
149 HD11 LEU 21 HD11 LEU 21 51.997 15.355 6.327
150 HD12 LEU 21 HD12 LEU 21 53.094 14.050 5.824
151 HD13 LEU 21 HD13 LEU 21 51.392 13.686 6.203
152 HD21 LEU 21 HD21 LEU 21 51.937 13.700 2.392
153 HD22 LEU 21 HD22 LEU 21 51.714 12.585 3.762
154 HD23 LEU 21 HD23 LEU 21 53.270 13.421 3.538
155 H THR 22 HN THR 22 50.034 17.191 3.086
156 HA THR 22 HA THR 22 52.036 18.950 4.338
157 HB THR 22 HB THR 22 52.480 18.454 2.052
158 HG1 THR 22 HG1 THR 22 51.198 20.851 1.537
159 HG21 THR 22 HG21 THR 22 49.544 19.116 1.612
160 HG22 THR 22 HG22 THR 22 50.373 17.567 1.324
161 HG23 THR 22 HG23 THR 22 50.711 18.965 0.276
162 H HIS 23 HN HIS 23 50.117 19.436 5.969
163 HA HIS 23 HA HIS 23 49.385 22.190 5.459
164 HB2 HIS 23 HB2 HIS 23 47.676 21.078 4.036
165 HB3 HIS 23 HB1 HIS 23 47.110 20.166 5.457
166 HD1 HIS 23 HD1 HIS 23 45.623 21.358 7.151
167 HD2 HIS 23 HD2 HIS 23 47.247 23.965 4.280
168 HE1 HIS 23 HE1 HIS 23 44.435 23.606 7.405
169 H TYR 24 HN TYR 24 49.577 23.098 7.389
170 HA TYR 24 HA TYR 24 49.638 21.545 9.815
171 HB2 TYR 24 HB2 TYR 24 49.208 24.546 9.573
172 HB3 TYR 24 HB1 TYR 24 49.913 23.653 10.942
173 HD1 TYR 24 HD1 TYR 24 52.118 22.458 10.653
174 HD2 TYR 24 HD2 TYR 24 50.546 25.144 7.661
175 HE1 TYR 24 HE1 TYR 24 54.378 22.628 9.618
176 HE2 TYR 24 HE2 TYR 24 52.806 25.315 6.628
177 HH TYR 24 HH TYR 24 55.054 23.441 6.775
178 H LEU 25 HN LEU 25 48.204 23.260 11.592
179 HA LEU 25 HA LEU 25 45.590 21.988 11.401
180 HB2 LEU 25 HB2 LEU 25 46.309 24.271 13.269
181 HB3 LEU 25 HB1 LEU 25 45.169 22.928 13.535
182 HG LEU 25 HG LEU 25 48.208 22.730 13.345
183 HD11 LEU 25 HD11 LEU 25 46.300 22.114 15.643
184 HD12 LEU 25 HD12 LEU 25 47.213 23.635 15.481
185 HD13 LEU 25 HD13 LEU 25 48.079 22.093 15.692
186 HD21 LEU 25 HD21 LEU 25 47.695 20.293 14.036
187 HD22 LEU 25 HD22 LEU 25 47.347 20.727 12.347
188 HD23 LEU 25 HD23 LEU 25 46.020 20.616 13.529
Start of MODEL 49
1 H1 GLY 1 HT1 GLY 1 60.575 0.568 -0.280
2 H2 GLY 1 HT2 GLY 1 61.420 2.028 -0.067
3 H3 GLY 1 HT3 GLY 1 61.812 0.993 -1.356
4 HA2 GLY 1 HA1 GLY 1 59.177 1.425 -1.693
5 HA3 GLY 1 HA2 GLY 1 59.805 2.991 -1.144
6 H TRP 2 HN TRP 2 59.196 3.737 -3.292
7 HA TRP 2 HA TRP 2 61.499 3.798 -5.034
8 HB2 TRP 2 HB2 TRP 2 60.658 1.533 -5.625
9 HB3 TRP 2 HB1 TRP 2 59.088 2.249 -6.063
10 HD1 TRP 2 HD1 TRP 2 58.851 3.102 -8.452
11 HE1 TRP 2 HE1 TRP 2 60.443 3.563 -10.456
12 HE3 TRP 2 HE3 TRP 2 63.338 2.347 -6.106
13 HZ2 TRP 2 HZ2 TRP 2 63.281 3.592 -10.940
14 HZ3 TRP 2 HZ3 TRP 2 65.476 2.597 -7.359
15 HH2 TRP 2 HH2 TRP 2 65.451 3.218 -9.772
16 H GLY 3 HN GLY 3 58.005 3.741 -5.827
17 HA2 GLY 3 HA1 GLY 3 57.671 6.590 -5.664
18 HA3 GLY 3 HA2 GLY 3 58.044 6.122 -7.335
19 H SER 4 HN SER 4 56.223 4.269 -4.898
20 HA SER 4 HA SER 4 54.063 3.433 -4.969
21 HB2 SER 4 HB2 SER 4 52.326 4.979 -5.391
22 HB3 SER 4 HB1 SER 4 53.690 6.002 -4.892
23 HG SER 4 HG SER 4 53.733 6.824 -6.829
24 H PHE 5 HN PHE 5 52.311 2.607 -6.389
25 HA PHE 5 HA PHE 5 52.654 2.641 -9.260
26 HB2 PHE 5 HB2 PHE 5 54.623 1.210 -8.539
27 HB3 PHE 5 HB1 PHE 5 53.446 0.036 -7.904
28 HD1 PHE 5 HD1 PHE 5 54.840 1.612 -10.951
29 HD2 PHE 5 HD2 PHE 5 51.987 -1.240 -9.413
30 HE1 PHE 5 HE1 PHE 5 54.548 0.669 -13.239
31 HE2 PHE 5 HE2 PHE 5 51.695 -2.182 -11.701
32 HZ PHE 5 HZ PHE 5 52.949 -1.203 -13.620
33 H PHE 6 HN PHE 6 51.345 1.259 -6.311
34 HA PHE 6 HA PHE 6 49.349 -0.427 -7.437
35 HB2 PHE 6 HB2 PHE 6 49.343 1.216 -4.876
36 HB3 PHE 6 HB1 PHE 6 48.139 -0.034 -5.273
37 HD1 PHE 6 HD1 PHE 6 48.736 -2.405 -5.311
38 HD2 PHE 6 HD2 PHE 6 51.691 0.614 -4.426
39 HE1 PHE 6 HE1 PHE 6 50.291 -4.169 -4.485
40 HE2 PHE 6 HE2 PHE 6 53.245 -1.150 -3.601
41 HZ PHE 6 HZ PHE 6 52.577 -3.548 -3.711
42 H LYS 7 HN LYS 7 47.216 -0.127 -8.028
43 HA LYS 7 HA LYS 7 46.612 2.412 -9.268
44 HB2 LYS 7 HB2 LYS 7 44.756 0.085 -8.625
45 HB3 LYS 7 HB1 LYS 7 44.447 1.391 -9.793
46 HG2 LYS 7 HG2 LYS 7 46.444 0.700 -11.093
47 HG3 LYS 7 HG1 LYS 7 46.739 -0.616 -9.931
48 HD2 LYS 7 HD2 LYS 7 44.448 -1.518 -10.456
49 HD3 LYS 7 HD1 LYS 7 44.295 -0.275 -11.722
50 HE2 LYS 7 HE2 LYS 7 45.073 -2.390 -12.711
51 HE3 LYS 7 HE1 LYS 7 46.356 -1.161 -12.813
52 HZ1 LYS 7 HZ1 LYS 7 47.636 -2.254 -11.335
53 HZ2 LYS 7 HZ2 LYS 7 46.737 -3.605 -11.836
54 HZ3 LYS 7 HZ3 LYS 7 46.328 -2.794 -10.401
55 H LYS 8 HN LYS 8 44.522 0.712 -6.909
56 HA LYS 8 HA LYS 8 43.392 3.231 -6.002
57 HB2 LYS 8 HB2 LYS 8 42.176 1.030 -6.028
58 HB3 LYS 8 HB1 LYS 8 43.218 0.492 -4.687
59 HG2 LYS 8 HG2 LYS 8 42.424 2.343 -3.284
60 HG3 LYS 8 HG1 LYS 8 41.446 2.975 -4.629
61 HD2 LYS 8 HD2 LYS 8 40.137 0.864 -4.664
62 HD3 LYS 8 HD1 LYS 8 41.101 0.252 -3.297
63 HE2 LYS 8 HE2 LYS 8 38.910 1.244 -2.578
64 HE3 LYS 8 HE1 LYS 8 40.314 2.075 -1.867
65 HZ1 LYS 8 HZ1 LYS 8 40.091 3.851 -3.352
66 HZ2 LYS 8 HZ2 LYS 8 38.498 3.513 -2.870
67 HZ3 LYS 8 HZ3 LYS 8 39.057 2.998 -4.389
68 H ALA 9 HN ALA 9 43.967 4.528 -4.376
69 HA ALA 9 HA ALA 9 45.473 3.557 -2.080
70 HB1 ALA 9 HB1 ALA 9 46.927 5.476 -3.924
71 HB2 ALA 9 HB2 ALA 9 47.233 3.722 -3.895
72 HB3 ALA 9 HB3 ALA 9 47.541 4.706 -2.443
73 H ALA 10 HN ALA 10 43.632 4.512 -1.082
74 HA ALA 10 HA ALA 10 42.939 7.280 -1.457
75 HB1 ALA 10 HB1 ALA 10 42.495 5.616 1.038
76 HB2 ALA 10 HB2 ALA 10 41.503 5.466 -0.432
77 HB3 ALA 10 HB3 ALA 10 41.540 7.003 0.464
78 H HIS 11 HN HIS 11 44.363 8.872 -1.154
79 HA HIS 11 HA HIS 11 46.465 8.681 0.877
80 HB2 HIS 11 HB2 HIS 11 45.601 11.148 -0.673
81 HB3 HIS 11 HB1 HIS 11 47.191 10.809 0.052
82 HD1 HIS 11 HD1 HIS 11 45.197 10.367 -3.035
83 HD2 HIS 11 HD2 HIS 11 48.622 8.629 -1.316
84 HE1 HIS 11 HE1 HIS 11 46.376 9.033 -4.868
85 H ALA 12 HN ALA 12 46.217 9.093 2.966
86 HA ALA 12 HA ALA 12 44.718 11.435 3.863
87 HB1 ALA 12 HB1 ALA 12 43.666 8.702 4.668
88 HB2 ALA 12 HB2 ALA 12 42.898 9.755 3.456
89 HB3 ALA 12 HB3 ALA 12 43.025 10.289 5.150
90 H GLY 13 HN GLY 13 47.062 9.079 4.120
91 HA2 GLY 13 HA1 GLY 13 48.345 10.201 6.344
92 HA3 GLY 13 HA2 GLY 13 47.327 8.898 6.988
93 H LYS 14 HN LYS 14 49.805 9.619 4.514
94 HA LYS 14 HA LYS 14 51.340 7.284 5.276
95 HB2 LYS 14 HB2 LYS 14 49.350 6.362 3.883
96 HB3 LYS 14 HB1 LYS 14 50.151 7.113 2.483
97 HG2 LYS 14 HG2 LYS 14 52.285 5.839 3.267
98 HG3 LYS 14 HG1 LYS 14 51.185 4.898 4.298
99 HD2 LYS 14 HD2 LYS 14 50.961 5.199 1.269
100 HD3 LYS 14 HD1 LYS 14 51.558 3.761 2.129
101 HE2 LYS 14 HE2 LYS 14 49.282 3.765 3.365
102 HE3 LYS 14 HE1 LYS 14 48.746 4.914 2.113
103 HZ1 LYS 14 HZ1 LYS 14 48.198 2.750 1.369
104 HZ2 LYS 14 HZ2 LYS 14 49.741 2.139 1.729
105 HZ3 LYS 14 HZ3 LYS 14 49.536 3.239 0.451
106 H HIS 15 HN HIS 15 51.920 7.293 2.097
107 HA HIS 15 HA HIS 15 54.303 8.862 2.300
108 HB2 HIS 15 HB2 HIS 15 52.758 7.995 -0.177
109 HB3 HIS 15 HB1 HIS 15 54.440 8.577 -0.152
110 HD1 HIS 15 HD1 HIS 15 55.543 7.123 2.319
111 HD2 HIS 15 HD2 HIS 15 53.184 5.278 -0.632
112 HE1 HIS 15 HE1 HIS 15 55.982 4.609 2.455
113 H ALA 16 HN ALA 16 51.045 9.798 1.953
114 HA ALA 16 HA ALA 16 51.106 11.995 0.223
115 HB1 ALA 16 HB1 ALA 16 49.717 12.004 2.918
116 HB2 ALA 16 HB2 ALA 16 49.138 11.066 1.523
117 HB3 ALA 16 HB3 ALA 16 49.226 12.839 1.428
118 H GLY 17 HN GLY 17 51.245 12.491 3.772
119 HA2 GLY 17 HA1 GLY 17 52.599 13.890 5.028
120 HA3 GLY 17 HA2 GLY 17 53.717 13.983 3.654
121 H LYS 18 HN LYS 18 52.963 15.386 1.787
122 HA LYS 18 HA LYS 18 52.297 18.004 2.911
123 HB2 LYS 18 HB2 LYS 18 53.932 17.437 0.967
124 HB3 LYS 18 HB1 LYS 18 52.476 17.347 -0.051
125 HG2 LYS 18 HG2 LYS 18 51.859 19.667 0.726
126 HG3 LYS 18 HG1 LYS 18 53.408 19.741 1.598
127 HD2 LYS 18 HD2 LYS 18 54.601 19.308 -0.564
128 HD3 LYS 18 HD1 LYS 18 53.033 19.374 -1.406
129 HE2 LYS 18 HE2 LYS 18 54.303 21.617 0.226
130 HE3 LYS 18 HE1 LYS 18 54.136 21.564 -1.546
131 HZ1 LYS 18 HZ1 LYS 18 51.617 21.134 -0.778
132 HZ2 LYS 18 HZ2 LYS 18 52.249 22.677 -1.106
133 HZ3 LYS 18 HZ3 LYS 18 52.141 22.122 0.497
134 H ALA 19 HN ALA 19 50.179 16.318 3.435
135 HA ALA 19 HA ALA 19 47.996 17.813 2.289
136 HB1 ALA 19 HB1 ALA 19 48.087 14.908 1.427
137 HB2 ALA 19 HB2 ALA 19 48.615 16.244 0.378
138 HB3 ALA 19 HB3 ALA 19 46.927 16.165 0.939
139 H ALA 20 HN ALA 20 48.729 14.502 3.490
140 HA ALA 20 HA ALA 20 46.363 14.477 5.192
141 HB1 ALA 20 HB1 ALA 20 47.410 12.428 4.238
142 HB2 ALA 20 HB2 ALA 20 47.254 12.361 6.010
143 HB3 ALA 20 HB3 ALA 20 48.834 12.708 5.267
144 H LEU 21 HN LEU 21 49.831 14.169 6.073
145 HA LEU 21 HA LEU 21 49.265 15.272 8.751
146 HB2 LEU 21 HB2 LEU 21 51.993 14.665 7.556
147 HB3 LEU 21 HB1 LEU 21 51.516 14.690 9.271
148 HG LEU 21 HG LEU 21 50.531 12.700 7.174
149 HD11 LEU 21 HD11 LEU 21 52.432 12.405 9.542
150 HD12 LEU 21 HD12 LEU 21 52.884 12.345 7.822
151 HD13 LEU 21 HD13 LEU 21 51.852 11.073 8.516
152 HD21 LEU 21 HD21 LEU 21 48.769 12.972 8.771
153 HD22 LEU 21 HD22 LEU 21 49.910 13.113 10.130
154 HD23 LEU 21 HD23 LEU 21 49.667 11.543 9.327
155 H THR 22 HN THR 22 48.432 17.319 7.627
156 HA THR 22 HA THR 22 50.549 19.339 7.876
157 HB THR 22 HB THR 22 49.111 19.106 5.197
158 HG1 THR 22 HG1 THR 22 51.821 18.868 5.208
159 HG21 THR 22 HG21 THR 22 51.335 20.902 6.254
160 HG22 THR 22 HG22 THR 22 49.681 21.398 5.819
161 HG23 THR 22 HG23 THR 22 50.806 20.841 4.556
162 H HIS 23 HN HIS 23 47.351 18.984 6.252
163 HA HIS 23 HA HIS 23 46.032 20.555 8.336
164 HB2 HIS 23 HB2 HIS 23 45.362 22.410 6.758
165 HB3 HIS 23 HB1 HIS 23 47.080 22.426 7.225
166 HD1 HIS 23 HD1 HIS 23 45.450 20.149 4.614
167 HD2 HIS 23 HD2 HIS 23 48.277 23.252 4.853
168 HE1 HIS 23 HE1 HIS 23 46.473 20.429 2.290
169 H TYR 24 HN TYR 24 43.734 21.173 7.547
170 HA TYR 24 HA TYR 24 42.537 18.707 6.558
171 HB2 TYR 24 HB2 TYR 24 41.517 20.259 8.279
172 HB3 TYR 24 HB1 TYR 24 41.205 21.413 6.961
173 HD1 TYR 24 HD1 TYR 24 40.582 17.869 8.044
174 HD2 TYR 24 HD2 TYR 24 39.287 21.156 5.564
175 HE1 TYR 24 HE1 TYR 24 38.518 16.608 7.450
176 HE2 TYR 24 HE2 TYR 24 37.222 19.895 4.970
177 HH TYR 24 HH TYR 24 36.210 17.056 6.485
178 H LEU 25 HN LEU 25 43.236 21.927 5.242
179 HA LEU 25 HA LEU 25 41.686 21.627 2.835
180 HB2 LEU 25 HB2 LEU 25 44.247 23.245 3.060
181 HB3 LEU 25 HB1 LEU 25 42.811 23.570 2.061
182 HG LEU 25 HG LEU 25 43.005 23.726 5.101
183 HD11 LEU 25 HD11 LEU 25 43.955 25.650 3.886
184 HD12 LEU 25 HD12 LEU 25 42.433 26.113 4.685
185 HD13 LEU 25 HD13 LEU 25 42.461 25.804 2.932
186 HD21 LEU 25 HD21 LEU 25 40.591 24.615 4.822
187 HD22 LEU 25 HD22 LEU 25 40.816 22.860 4.649
188 HD23 LEU 25 HD23 LEU 25 40.625 23.878 3.202
Start of MODEL 50
1 H1 GLY 1 HT1 GLY 1 60.152 -8.441 -6.863
2 H2 GLY 1 HT2 GLY 1 58.594 -8.622 -6.208
3 H3 GLY 1 HT3 GLY 1 59.590 -7.339 -5.705
4 HA2 GLY 1 HA1 GLY 1 57.863 -7.563 -7.950
5 HA3 GLY 1 HA2 GLY 1 58.526 -6.122 -7.155
6 H TRP 2 HN TRP 2 58.667 -8.206 -9.857
7 HA TRP 2 HA TRP 2 61.401 -7.596 -10.662
8 HB2 TRP 2 HB2 TRP 2 59.011 -8.618 -12.248
9 HB3 TRP 2 HB1 TRP 2 60.690 -8.561 -12.841
10 HD1 TRP 2 HD1 TRP 2 58.331 -10.639 -10.830
11 HE1 TRP 2 HE1 TRP 2 59.545 -12.702 -9.813
12 HE3 TRP 2 HE3 TRP 2 63.173 -9.282 -11.791
13 HZ2 TRP 2 HZ2 TRP 2 62.258 -13.610 -9.479
14 HZ3 TRP 2 HZ3 TRP 2 65.058 -10.761 -11.115
15 HH2 TRP 2 HH2 TRP 2 64.605 -12.922 -9.961
16 H GLY 3 HN GLY 3 58.194 -6.196 -11.210
17 HA2 GLY 3 HA1 GLY 3 59.251 -3.635 -11.881
18 HA3 GLY 3 HA2 GLY 3 58.864 -4.493 -13.385
19 H SER 4 HN SER 4 57.478 -3.656 -10.188
20 HA SER 4 HA SER 4 55.069 -2.610 -11.449
21 HB2 SER 4 HB2 SER 4 54.786 -5.160 -9.814
22 HB3 SER 4 HB1 SER 4 53.475 -4.215 -10.557
23 HG SER 4 HG SER 4 53.856 -5.626 -12.114
24 H PHE 5 HN PHE 5 55.944 -0.839 -10.182
25 HA PHE 5 HA PHE 5 56.070 -1.064 -7.285
26 HB2 PHE 5 HB2 PHE 5 57.297 0.627 -8.783
27 HB3 PHE 5 HB1 PHE 5 55.749 1.498 -8.897
28 HD1 PHE 5 HD1 PHE 5 58.540 0.517 -6.680
29 HD2 PHE 5 HD2 PHE 5 54.747 2.565 -6.908
30 HE1 PHE 5 HE1 PHE 5 58.981 1.581 -4.471
31 HE2 PHE 5 HE2 PHE 5 55.189 3.627 -4.697
32 HZ PHE 5 HZ PHE 5 57.306 3.136 -3.479
33 H PHE 6 HN PHE 6 54.733 0.348 -5.837
34 HA PHE 6 HA PHE 6 51.948 -0.333 -6.184
35 HB2 PHE 6 HB2 PHE 6 53.332 1.571 -4.255
36 HB3 PHE 6 HB1 PHE 6 51.627 1.074 -4.141
37 HD1 PHE 6 HD1 PHE 6 55.152 -0.046 -3.870
38 HD2 PHE 6 HD2 PHE 6 51.012 -1.202 -3.493
39 HE1 PHE 6 HE1 PHE 6 55.842 -2.130 -2.690
40 HE2 PHE 6 HE2 PHE 6 51.700 -3.286 -2.312
41 HZ PHE 6 HZ PHE 6 54.115 -3.740 -1.895
42 H LYS 7 HN LYS 7 52.920 2.970 -5.348
43 HA LYS 7 HA LYS 7 51.991 4.116 -7.864
44 HB2 LYS 7 HB2 LYS 7 49.811 3.501 -6.849
45 HB3 LYS 7 HB1 LYS 7 50.227 4.451 -5.402
46 HG2 LYS 7 HG2 LYS 7 50.272 6.506 -6.656
47 HG3 LYS 7 HG1 LYS 7 50.190 5.637 -8.207
48 HD2 LYS 7 HD2 LYS 7 47.929 4.901 -7.762
49 HD3 LYS 7 HD1 LYS 7 48.005 5.505 -6.088
50 HE2 LYS 7 HE2 LYS 7 48.216 7.817 -6.904
51 HE3 LYS 7 HE1 LYS 7 48.224 7.241 -8.588
52 HZ1 LYS 7 HZ1 LYS 7 45.997 6.352 -6.935
53 HZ2 LYS 7 HZ2 LYS 7 46.019 6.855 -8.558
54 HZ3 LYS 7 HZ3 LYS 7 46.022 8.006 -7.308
55 H LYS 8 HN LYS 8 53.289 4.225 -4.682
56 HA LYS 8 HA LYS 8 54.581 5.808 -3.596
57 HB2 LYS 8 HB2 LYS 8 55.738 5.750 -5.870
58 HB3 LYS 8 HB1 LYS 8 54.819 7.219 -6.278
59 HG2 LYS 8 HG2 LYS 8 55.776 8.371 -4.304
60 HG3 LYS 8 HG1 LYS 8 56.698 6.904 -3.894
61 HD2 LYS 8 HD2 LYS 8 57.948 7.036 -5.980
62 HD3 LYS 8 HD1 LYS 8 56.943 8.394 -6.542
63 HE2 LYS 8 HE2 LYS 8 58.611 8.490 -3.997
64 HE3 LYS 8 HE1 LYS 8 59.199 9.065 -5.576
65 HZ1 LYS 8 HZ1 LYS 8 57.815 10.556 -3.804
66 HZ2 LYS 8 HZ2 LYS 8 56.578 10.044 -4.850
67 HZ3 LYS 8 HZ3 LYS 8 57.922 10.881 -5.465
68 H ALA 9 HN ALA 9 54.446 7.790 -2.546
69 HA ALA 9 HA ALA 9 53.264 9.580 -1.665
70 HB1 ALA 9 HB1 ALA 9 52.564 11.288 -3.250
71 HB2 ALA 9 HB2 ALA 9 52.592 10.106 -4.581
72 HB3 ALA 9 HB3 ALA 9 54.110 10.582 -3.781
73 H ALA 10 HN ALA 10 51.839 7.579 -1.011
74 HA ALA 10 HA ALA 10 49.214 7.449 -2.281
75 HB1 ALA 10 HB1 ALA 10 48.649 6.033 -0.314
76 HB2 ALA 10 HB2 ALA 10 50.240 6.417 0.387
77 HB3 ALA 10 HB3 ALA 10 50.134 5.506 -1.140
78 H HIS 11 HN HIS 11 47.403 7.413 -0.252
79 HA HIS 11 HA HIS 11 47.003 10.278 0.189
80 HB2 HIS 11 HB2 HIS 11 45.407 7.948 1.316
81 HB3 HIS 11 HB1 HIS 11 44.869 9.632 1.110
82 HD1 HIS 11 HD1 HIS 11 44.062 6.645 -0.361
83 HD2 HIS 11 HD2 HIS 11 45.625 10.194 -1.986
84 HE1 HIS 11 HE1 HIS 11 43.561 6.621 -2.866
85 H ALA 12 HN ALA 12 49.258 8.643 1.546
86 HA ALA 12 HA ALA 12 48.649 8.613 4.364
87 HB1 ALA 12 HB1 ALA 12 51.091 8.432 4.648
88 HB2 ALA 12 HB2 ALA 12 51.320 8.847 2.933
89 HB3 ALA 12 HB3 ALA 12 50.501 7.332 3.383
90 H GLY 13 HN GLY 13 49.291 11.141 2.127
91 HA2 GLY 13 HA1 GLY 13 48.770 13.222 3.933
92 HA3 GLY 13 HA2 GLY 13 50.533 13.011 3.936
93 H LYS 14 HN LYS 14 47.775 14.232 2.259
94 HA LYS 14 HA LYS 14 49.479 15.756 0.460
95 HB2 LYS 14 HB2 LYS 14 49.434 13.481 -0.647
96 HB3 LYS 14 HB1 LYS 14 47.673 13.676 -0.829
97 HG2 LYS 14 HG2 LYS 14 48.033 15.765 -2.111
98 HG3 LYS 14 HG1 LYS 14 49.795 15.573 -1.931
99 HD2 LYS 14 HD2 LYS 14 49.697 13.419 -3.137
100 HD3 LYS 14 HD1 LYS 14 47.932 13.583 -3.302
101 HE2 LYS 14 HE2 LYS 14 49.052 14.318 -5.371
102 HE3 LYS 14 HE1 LYS 14 48.262 15.700 -4.573
103 HZ1 LYS 14 HZ1 LYS 14 50.229 16.695 -4.551
104 HZ2 LYS 14 HZ2 LYS 14 51.004 15.320 -5.177
105 HZ3 LYS 14 HZ3 LYS 14 50.815 15.502 -3.498
106 H HIS 15 HN HIS 15 46.267 14.506 1.310
107 HA HIS 15 HA HIS 15 45.170 17.204 1.311
108 HB2 HIS 15 HB2 HIS 15 45.158 16.690 -1.139
109 HB3 HIS 15 HB1 HIS 15 44.127 15.279 -0.803
110 HD1 HIS 15 HD1 HIS 15 44.141 19.080 -0.219
111 HD2 HIS 15 HD2 HIS 15 41.429 15.894 -0.658
112 HE1 HIS 15 HE1 HIS 15 41.791 20.083 -0.282
113 H ALA 16 HN ALA 16 45.436 14.294 2.586
114 HA ALA 16 HA ALA 16 42.969 14.540 4.111
115 HB1 ALA 16 HB1 ALA 16 43.263 12.176 2.223
116 HB2 ALA 16 HB2 ALA 16 42.047 13.471 2.105
117 HB3 ALA 16 HB3 ALA 16 42.020 12.347 3.485
118 H GLY 17 HN GLY 17 45.708 14.576 4.754
119 HA2 GLY 17 HA1 GLY 17 46.410 11.904 5.796
120 HA3 GLY 17 HA2 GLY 17 47.357 13.397 5.943
121 H LYS 18 HN LYS 18 44.288 11.913 7.049
122 HA LYS 18 HA LYS 18 43.200 12.075 9.091
123 HB2 LYS 18 HB2 LYS 18 46.069 12.417 10.056
124 HB3 LYS 18 HB1 LYS 18 44.672 12.129 11.120
125 HG2 LYS 18 HG2 LYS 18 44.187 10.020 9.875
126 HG3 LYS 18 HG1 LYS 18 45.639 10.295 8.883
127 HD2 LYS 18 HD2 LYS 18 47.020 10.307 10.974
128 HD3 LYS 18 HD1 LYS 18 45.557 9.912 11.907
129 HE2 LYS 18 HE2 LYS 18 46.832 7.861 11.405
130 HE3 LYS 18 HE1 LYS 18 45.266 7.843 10.557
131 HZ1 LYS 18 HZ1 LYS 18 47.322 9.117 9.024
132 HZ2 LYS 18 HZ2 LYS 18 46.285 7.842 8.595
133 HZ3 LYS 18 HZ3 LYS 18 47.736 7.520 9.417
134 H ALA 19 HN ALA 19 45.831 14.238 10.083
135 HA ALA 19 HA ALA 19 43.871 16.305 10.798
136 HB1 ALA 19 HB1 ALA 19 46.903 16.429 10.827
137 HB2 ALA 19 HB2 ALA 19 45.909 15.775 12.151
138 HB3 ALA 19 HB3 ALA 19 45.774 17.492 11.699
139 H ALA 20 HN ALA 20 45.082 15.384 7.892
140 HA ALA 20 HA ALA 20 45.390 16.464 5.865
141 HB1 ALA 20 HB1 ALA 20 43.968 18.399 5.433
142 HB2 ALA 20 HB2 ALA 20 43.726 18.641 7.180
143 HB3 ALA 20 HB3 ALA 20 43.071 17.191 6.382
144 H LEU 21 HN LEU 21 47.619 16.757 6.003
145 HA LEU 21 HA LEU 21 49.592 17.973 6.124
146 HB2 LEU 21 HB2 LEU 21 47.548 20.117 5.457
147 HB3 LEU 21 HB1 LEU 21 49.273 20.514 5.636
148 HG LEU 21 HG LEU 21 49.876 18.951 3.868
149 HD11 LEU 21 HD11 LEU 21 46.933 18.187 4.011
150 HD12 LEU 21 HD12 LEU 21 48.359 17.130 4.154
151 HD13 LEU 21 HD13 LEU 21 47.929 17.833 2.579
152 HD21 LEU 21 HD21 LEU 21 49.114 21.229 3.215
153 HD22 LEU 21 HD22 LEU 21 47.450 20.617 3.056
154 HD23 LEU 21 HD23 LEU 21 48.725 20.025 1.964
155 H THR 22 HN THR 22 47.736 20.712 7.366
156 HA THR 22 HA THR 22 48.584 20.139 10.163
157 HB THR 22 HB THR 22 49.666 22.350 10.417
158 HG1 THR 22 HG1 THR 22 50.198 22.992 7.941
159 HG21 THR 22 HG21 THR 22 50.960 20.253 9.743
160 HG22 THR 22 HG22 THR 22 51.750 21.802 9.357
161 HG23 THR 22 HG23 THR 22 50.929 20.875 8.077
162 H HIS 23 HN HIS 23 46.074 19.936 9.605
163 HA HIS 23 HA HIS 23 43.954 20.817 9.939
164 HB2 HIS 23 HB2 HIS 23 44.984 21.161 12.201
165 HB3 HIS 23 HB1 HIS 23 45.422 22.815 11.704
166 HD1 HIS 23 HD1 HIS 23 42.298 21.948 10.091
167 HD2 HIS 23 HD2 HIS 23 43.373 23.259 13.940
168 HE1 HIS 23 HE1 HIS 23 40.196 22.905 11.185
169 H TYR 24 HN TYR 24 43.494 21.557 7.878
170 HA TYR 24 HA TYR 24 43.118 24.434 7.673
171 HB2 TYR 24 HB2 TYR 24 45.510 24.345 7.089
172 HB3 TYR 24 HB1 TYR 24 45.168 23.126 5.837
173 HD1 TYR 24 HD1 TYR 24 44.347 23.773 3.677
174 HD2 TYR 24 HD2 TYR 24 44.457 26.649 6.894
175 HE1 TYR 24 HE1 TYR 24 43.802 25.596 2.067
176 HE2 TYR 24 HE2 TYR 24 43.914 28.471 5.282
177 HH TYR 24 HH TYR 24 42.520 28.027 2.477
178 H LEU 25 HN LEU 25 41.659 24.984 6.061
179 HA LEU 25 HA LEU 25 40.932 23.065 3.981
180 HB2 LEU 25 HB2 LEU 25 39.840 22.157 6.113
181 HB3 LEU 25 HB1 LEU 25 38.852 23.633 6.122
182 HG LEU 25 HG LEU 25 38.302 22.967 3.610
183 HD11 LEU 25 HD11 LEU 25 38.202 20.451 3.365
184 HD12 LEU 25 HD12 LEU 25 39.216 20.312 4.817
185 HD13 LEU 25 HD13 LEU 25 39.854 21.103 3.356
186 HD21 LEU 25 HD21 LEU 25 37.183 21.429 5.998
187 HD22 LEU 25 HD22 LEU 25 36.391 21.580 4.412
188 HD23 LEU 25 HD23 LEU 25 36.636 23.022 5.425