Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
581328 | 2mug RC | 25211 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 3HA ACE 1 -16.105 -1.308 -2.159
2 H2 ACE 1 1HA ACE 1 -17.652 -1.318 -1.253
3 H3 ACE 1 2HA ACE 1 -17.270 -2.638 -2.391
4 H ASN 1 H ASN 1 -15.153 -2.801 1.193
5 HA ASN 1 HA ASN 1 -16.378 -0.182 0.369
6 HB2 ASN 1 1HB ASN 1 -16.221 -0.877 2.771
7 HB3 ASN 1 2HB ASN 1 -14.475 -0.873 2.687
8 HD21 ASN 1 1HD2 ASN 1 -17.345 1.208 2.535
9 HD22 ASN 1 2HD2 ASN 1 -16.454 2.738 3.019
10 H GLU 2 H GLU 2 -15.447 0.947 -1.188
11 HA GLU 2 HA GLU 2 -13.006 0.678 -2.426
12 HB2 GLU 2 1HB GLU 2 -15.122 2.140 -3.043
13 HB3 GLU 2 2HB GLU 2 -14.341 3.451 -2.197
14 HG2 GLU 2 1HG GLU 2 -13.117 1.917 -4.596
15 HG3 GLU 2 2HG GLU 2 -14.109 3.351 -4.754
16 HE2 GLU 2 HE2 GLU 2 -11.705 5.599 -3.524
17 H VAL 3 H VAL 3 -13.397 2.787 0.410
18 HA VAL 3 HA VAL 3 -10.709 4.004 0.241
19 HB VAL 3 HB VAL 3 -12.620 3.857 2.655
20 HG11 VAL 3 1HG1 VAL 3 -11.359 5.828 3.543
21 HG12 VAL 3 2HG1 VAL 3 -10.302 4.417 3.373
22 HG13 VAL 3 3HG1 VAL 3 -10.217 5.729 2.170
23 HG21 VAL 3 3HG2 VAL 3 -13.292 6.210 2.091
24 HG22 VAL 3 1HG2 VAL 3 -12.330 6.134 0.587
25 HG23 VAL 3 2HG2 VAL 3 -13.753 5.086 0.807
26 H SER 4 H SER 4 -12.055 1.593 2.463
27 HA SER 4 HA SER 4 -9.699 0.645 3.712
28 HB2 SER 4 2HB SER 4 -12.077 -1.141 2.935
29 HB3 SER 4 1HB SER 4 -10.834 -1.544 4.122
30 HG SER 4 HG SER 4 -12.544 0.717 4.205
31 H GLU 5 H GLU 5 -11.025 -0.997 0.815
32 HA GLU 5 HA GLU 5 -8.865 -2.718 0.273
33 HB2 GLU 5 1HB GLU 5 -9.654 -3.098 -1.972
34 HB3 GLU 5 2HB GLU 5 -10.936 -3.105 -0.793
35 HG2 GLU 5 2HG GLU 5 -11.415 -0.637 -1.602
36 HG3 GLU 5 1HG GLU 5 -10.312 -0.970 -2.936
37 HE2 GLU 5 HE2 GLU 5 -12.477 -3.029 -4.666
38 H ARG 6 H ARG 6 -9.159 0.514 -1.183
39 HA ARG 6 HA ARG 6 -6.633 0.305 -2.687
40 HB2 ARG 6 2HB ARG 6 -8.693 1.839 -3.241
41 HB3 ARG 6 1HB ARG 6 -8.185 2.902 -1.931
42 HG2 ARG 6 1HG ARG 6 -5.992 3.321 -3.131
43 HG3 ARG 6 2HG ARG 6 -6.516 2.268 -4.461
44 HD2 ARG 6 2HD ARG 6 -8.493 3.783 -4.897
45 HD3 ARG 6 1HD ARG 6 -7.999 4.836 -3.560
46 HH11 ARG 6 2HH1 ARG 6 -8.988 6.018 -5.379
47 HH12 ARG 6 1HH1 ARG 6 -8.449 7.282 -6.595
48 HH21 ARG 6 2HH2 ARG 6 -5.223 6.085 -6.747
49 HH22 ARG 6 1HH2 ARG 6 -6.460 7.316 -7.316
50 H VAL 7 H VAL 7 -7.243 2.115 0.431
51 HA VAL 7 HA VAL 7 -4.630 3.008 0.861
52 HB VAL 7 HB VAL 7 -6.670 2.080 2.945
53 HG11 VAL 7 3HG2 VAL 7 -4.132 3.763 3.454
54 HG12 VAL 7 1HG2 VAL 7 -4.447 2.129 4.083
55 HG13 VAL 7 2HG2 VAL 7 -5.451 3.483 4.625
56 HG21 VAL 7 1HG1 VAL 7 -7.381 4.056 1.481
57 HG22 VAL 7 2HG1 VAL 7 -5.932 4.938 1.991
58 HG23 VAL 7 3HG1 VAL 7 -7.187 4.508 3.181
59 H HIS 8 H HIS 8 -5.840 -0.271 1.906
60 HA HIS 8 HA HIS 8 -3.572 -1.426 2.953
61 HB2 HIS 8 1HB HIS 8 -6.062 -2.337 2.475
62 HB3 HIS 8 2HB HIS 8 -5.352 -3.055 1.053
63 HD2 HIS 8 HD2 HIS 8 -2.743 -4.294 1.808
64 HE1 HIS 8 HE1 HIS 8 -4.500 -5.999 5.184
65 HE2 HIS 8 HE2 HIS 8 -2.450 -6.223 3.641
66 H VAL 9 H VAL 9 -4.449 -1.503 -0.550
67 HA VAL 9 HA VAL 9 -2.015 -2.938 -1.366
68 HB VAL 9 HB VAL 9 -2.691 -2.755 -3.599
69 HG11 VAL 9 3HG2 VAL 9 -4.891 -3.834 -3.652
70 HG12 VAL 9 1HG2 VAL 9 -5.264 -3.238 -2.022
71 HG13 VAL 9 2HG2 VAL 9 -3.955 -4.419 -2.257
72 HG21 VAL 9 1HG1 VAL 9 -4.870 -0.740 -2.934
73 HG22 VAL 9 2HG1 VAL 9 -4.663 -1.531 -4.512
74 HG23 VAL 9 3HG1 VAL 9 -3.424 -0.415 -3.914
75 H TYR 10 H TYR 10 -2.720 0.510 -1.076
76 HA TYR 10 HA TYR 10 -0.361 1.448 -2.623
77 HB2 TYR 10 2HB TYR 10 -2.531 2.844 -2.112
78 HB3 TYR 10 1HB TYR 10 -1.967 2.989 -0.456
79 HD1 TYR 10 HD1 TYR 10 -1.046 3.812 -4.028
80 HD2 TYR 10 HD2 TYR 10 -0.338 4.699 0.124
81 HE1 TYR 10 HE1 TYR 10 0.255 5.798 -4.664
82 HE2 TYR 10 HE2 TYR 10 0.945 6.687 -0.526
83 HH TYR 10 HH TYR 10 1.730 7.913 -2.198
84 H HIS 11 H HIS 11 -0.903 0.802 0.871
85 HA HIS 11 HA HIS 11 1.751 1.792 1.739
86 HB2 HIS 11 2HB HIS 11 -0.477 0.165 3.101
87 HB3 HIS 11 1HB HIS 11 1.080 0.259 3.861
88 HD2 HIS 11 HD2 HIS 11 -1.504 2.911 2.397
89 HE1 HIS 11 HE1 HIS 11 0.108 4.470 5.896
90 HE2 HIS 11 HE2 HIS 11 -1.624 4.965 4.060
91 H ILE 12 H ILE 12 0.644 -1.435 0.690
92 HA ILE 12 HA ILE 12 3.060 -2.889 1.556
93 HB ILE 12 HB ILE 12 0.994 -3.598 -0.604
94 HG12 ILE 12 2HG1 ILE 12 1.390 -4.816 2.210
95 HG13 ILE 12 1HG1 ILE 12 0.231 -3.531 1.867
96 HG21 ILE 12 1HG2 ILE 12 3.225 -5.433 0.501
97 HG22 ILE 12 2HG2 ILE 12 1.917 -5.933 -0.600
98 HG23 ILE 12 3HG2 ILE 12 3.132 -4.790 -1.157
99 HD11 ILE 12 3HD1 ILE 12 -1.011 -5.017 0.253
100 HD12 ILE 12 1HD1 ILE 12 0.104 -6.357 0.637
101 HD13 ILE 12 2HD1 ILE 12 -0.934 -5.688 1.902
102 H LEU 13 H LEU 13 2.193 -1.426 -1.639
103 HA LEU 13 HA LEU 13 4.843 -1.937 -2.837
104 HB2 LEU 13 2HB LEU 13 2.484 -0.149 -3.696
105 HB3 LEU 13 1HB LEU 13 4.018 -0.057 -4.528
106 HG LEU 13 HG LEU 13 3.929 -2.529 -5.044
107 HD11 LEU 13 3HD2 LEU 13 1.000 -2.360 -4.059
108 HD12 LEU 13 1HD2 LEU 13 1.687 -3.692 -5.020
109 HD13 LEU 13 2HD2 LEU 13 2.282 -3.398 -3.385
110 HD21 LEU 13 1HD1 LEU 13 2.338 -2.235 -6.948
111 HD22 LEU 13 2HD1 LEU 13 1.632 -0.797 -6.169
112 HD23 LEU 13 3HD1 LEU 13 3.325 -0.780 -6.722
113 H LYS 14 H LYS 14 3.492 1.108 -1.303
114 HA LYS 14 HA LYS 14 5.744 2.735 -1.667
115 HB2 LYS 14 2HB LYS 14 3.494 3.397 -0.819
116 HB3 LYS 14 1HB LYS 14 3.899 2.774 0.776
117 HG2 LYS 14 2HG LYS 14 5.774 4.473 0.944
118 HG3 LYS 14 1HG LYS 14 5.432 5.021 -0.700
119 HD2 LYS 14 2HD LYS 14 3.097 5.691 0.015
120 HD3 LYS 14 1HD LYS 14 3.451 5.169 1.665
121 HE2 LYS 14 1HE LYS 14 5.311 6.895 1.812
122 HE3 LYS 14 2HE LYS 14 4.976 7.404 0.150
123 HZ1 LYS 14 2HZ LYS 14 3.897 8.812 1.774
124 HZ3 LYS 14 1HZ LYS 14 3.078 7.556 2.426
125 H HIS 15 H HIS 15 5.296 0.484 1.040
126 HA HIS 15 HA HIS 15 7.763 1.233 2.522
127 HB2 HIS 15 1HB HIS 15 5.738 0.311 3.661
128 HB3 HIS 15 2HB HIS 15 5.947 -1.225 2.834
129 HD2 HIS 15 HD2 HIS 15 7.911 -2.863 3.716
130 HE1 HIS 15 HE1 HIS 15 9.006 -0.659 7.076
131 HE2 HIS 15 HE2 HIS 15 9.325 -2.961 5.971
132 H ILE 16 H ILE 16 7.022 -1.388 0.248
133 HA ILE 16 HA ILE 16 9.694 -2.684 0.544
134 HB ILE 16 HB ILE 16 7.579 -3.244 -1.607
135 HG12 ILE 16 2HG1 ILE 16 8.243 -4.944 0.898
136 HG13 ILE 16 1HG1 ILE 16 6.947 -3.753 0.923
137 HG21 ILE 16 1HG2 ILE 16 10.091 -4.882 -0.852
138 HG22 ILE 16 2HG2 ILE 16 9.834 -3.998 -2.374
139 HG23 ILE 16 3HG2 ILE 16 8.827 -5.394 -1.998
140 HD11 ILE 16 3HD1 ILE 16 7.002 -6.233 -0.902
141 HD12 ILE 16 1HD1 ILE 16 5.950 -5.926 0.495
142 HD13 ILE 16 2HD1 ILE 16 5.768 -4.948 -0.980
143 H LYS 17 H LYS 17 8.258 -0.708 -2.154
144 HA LYS 17 HA LYS 17 10.732 -0.652 -3.700
145 HB2 LYS 17 1HB LYS 17 8.473 -0.330 -4.695
146 HB3 LYS 17 2HB LYS 17 8.253 1.176 -3.832
147 HG2 LYS 17 1HG LYS 17 8.731 1.551 -6.204
148 HG3 LYS 17 2HG LYS 17 9.923 2.334 -5.201
149 HD2 LYS 17 1HD LYS 17 11.069 1.370 -7.106
150 HD3 LYS 17 2HD LYS 17 11.577 0.499 -5.680
151 HE2 LYS 17 1HE LYS 17 11.289 -1.126 -7.442
152 HE3 LYS 17 2HE LYS 17 9.994 -1.418 -6.287
153 HZ1 LYS 17 2HZ LYS 17 9.753 0.062 -8.854
154 HZ3 LYS 17 1HZ LYS 17 9.228 -1.460 -8.569
155 H ASP 18 H ASP 18 9.304 2.004 -1.679
156 HA ASP 18 HA ASP 18 11.689 3.730 -1.960
157 HB2 ASP 18 2HB ASP 18 9.474 3.987 0.159
158 HB3 ASP 18 1HB ASP 18 10.716 5.169 -0.169
159 HD2 ASP 18 HD2 ASP 18 9.343 6.409 -3.098
160 H GLY 19 H GLY 19 10.600 1.640 0.771
161 HA2 GLY 19 2HA GLY 19 12.913 2.234 2.512
162 HA3 GLY 19 1HA GLY 19 11.767 0.936 2.739
163 H LYS 20 H LYS 20 12.024 -0.877 1.131
164 HA LYS 20 HA LYS 20 13.340 -2.642 -0.020
165 HB2 LYS 20 2HB LYS 20 14.793 -0.682 -1.005
166 HB3 LYS 20 1HB LYS 20 15.942 -1.064 0.278
167 HG2 LYS 20 1HG LYS 20 16.078 -3.453 -0.558
168 HG3 LYS 20 2HG LYS 20 14.918 -3.069 -1.833
169 HD2 LYS 20 1HD LYS 20 16.513 -1.328 -2.757
170 HD3 LYS 20 2HD LYS 20 17.672 -1.713 -1.479
171 HE2 LYS 20 1HE LYS 20 17.831 -4.103 -2.340
172 HE3 LYS 20 2HE LYS 20 16.671 -3.718 -3.620
173 HZ1 LYS 20 2HZ LYS 20 18.225 -2.030 -4.428
174 HZ3 LYS 20 1HZ LYS 20 19.297 -2.385 -3.246
175 HN1 NH2 21 2HN NH2 21 15.345 -2.961 3.580
176 HN2 NH2 21 1HN NH2 21 15.106 -1.297 2.836
Start of MODEL 2
1 H1 ACE 1 3HA ACE 1 -18.683 -2.766 -2.035
2 H2 ACE 1 1HA ACE 1 -19.182 -2.512 -0.346
3 H3 ACE 1 2HA ACE 1 -19.145 -1.136 -1.489
4 H ASN 1 H ASN 1 -17.898 -0.802 0.721
5 HA ASN 1 HA ASN 1 -15.755 0.448 1.253
6 HB2 ASN 1 2HB ASN 1 -14.497 -1.191 2.597
7 HB3 ASN 1 1HB ASN 1 -16.211 -1.409 2.774
8 HD21 ASN 1 2HD2 ASN 1 -13.411 -2.728 1.059
9 HD22 ASN 1 1HD2 ASN 1 -14.262 -4.229 0.506
10 H GLU 2 H GLU 2 -15.548 0.287 -1.518
11 HA GLU 2 HA GLU 2 -13.087 -0.419 -2.510
12 HB2 GLU 2 2HB GLU 2 -15.162 0.858 -3.641
13 HB3 GLU 2 1HB GLU 2 -14.182 2.286 -3.440
14 HG2 GLU 2 2HG GLU 2 -13.430 -0.295 -4.984
15 HG3 GLU 2 1HG GLU 2 -14.047 1.174 -5.706
16 HE2 GLU 2 HE2 GLU 2 -12.830 3.062 -5.310
17 H VAL 3 H VAL 3 -13.490 2.530 -0.576
18 HA VAL 3 HA VAL 3 -10.799 3.628 -1.091
19 HB VAL 3 HB VAL 3 -12.731 4.244 1.230
20 HG11 VAL 3 3HG2 VAL 3 -10.326 5.879 0.201
21 HG12 VAL 3 1HG2 VAL 3 -11.483 6.401 1.462
22 HG13 VAL 3 2HG2 VAL 3 -10.421 5.014 1.756
23 HG21 VAL 3 1HG1 VAL 3 -13.842 4.818 -0.928
24 HG22 VAL 3 2HG1 VAL 3 -13.409 6.290 -0.048
25 HG23 VAL 3 3HG1 VAL 3 -12.423 5.764 -1.443
26 H SER 4 H SER 4 -12.169 2.024 1.757
27 HA SER 4 HA SER 4 -9.838 1.533 3.279
28 HB2 SER 4 2HB SER 4 -12.197 -0.425 3.046
29 HB3 SER 4 1HB SER 4 -10.971 -0.448 4.316
30 HG SER 4 HG SER 4 -12.815 0.698 4.909
31 H GLU 5 H GLU 5 -11.078 -0.953 0.993
32 HA GLU 5 HA GLU 5 -8.882 -2.709 1.052
33 HB2 GLU 5 2HB GLU 5 -9.578 -3.734 -1.025
34 HB3 GLU 5 1HB GLU 5 -10.905 -3.442 0.065
35 HG2 GLU 5 2HG GLU 5 -11.491 -1.373 -1.366
36 HG3 GLU 5 1HG GLU 5 -10.236 -1.861 -2.509
37 HE2 GLU 5 HE2 GLU 5 -13.812 -3.684 -2.393
38 H ARG 6 H ARG 6 -9.134 -0.039 -1.281
39 HA ARG 6 HA ARG 6 -6.548 -0.665 -2.578
40 HB2 ARG 6 2HB ARG 6 -8.584 0.568 -3.672
41 HB3 ARG 6 1HB ARG 6 -8.168 1.996 -2.730
42 HG2 ARG 6 1HG ARG 6 -5.939 2.128 -3.867
43 HG3 ARG 6 2HG ARG 6 -6.300 0.696 -4.837
44 HD2 ARG 6 2HD ARG 6 -8.011 3.277 -4.891
45 HD3 ARG 6 1HD ARG 6 -6.636 2.990 -5.958
46 HH11 ARG 6 2HH2 ARG 6 -8.556 4.201 -6.893
47 HH12 ARG 6 1HH2 ARG 6 -9.717 3.913 -8.284
48 HH21 ARG 6 2HH1 ARG 6 -9.669 0.490 -7.912
49 HH22 ARG 6 1HH1 ARG 6 -10.304 1.953 -8.820
50 H VAL 7 H VAL 7 -7.307 2.018 -0.211
51 HA VAL 7 HA VAL 7 -4.720 3.047 0.026
52 HB VAL 7 HB VAL 7 -6.843 2.776 2.217
53 HG11 VAL 7 1HG1 VAL 7 -4.668 3.229 3.361
54 HG12 VAL 7 2HG1 VAL 7 -5.708 4.662 3.412
55 HG13 VAL 7 3HG1 VAL 7 -4.344 4.590 2.261
56 HG21 VAL 7 3HG2 VAL 7 -6.096 5.209 0.442
57 HG22 VAL 7 1HG2 VAL 7 -7.398 5.138 1.658
58 HG23 VAL 7 2HG2 VAL 7 -7.512 4.176 0.179
59 H HIS 8 H HIS 8 -5.956 0.239 2.001
60 HA HIS 8 HA HIS 8 -3.730 -0.490 3.445
61 HB2 HIS 8 2HB HIS 8 -6.201 -1.527 3.187
62 HB3 HIS 8 1HB HIS 8 -5.448 -2.643 2.080
63 HD2 HIS 8 HD2 HIS 8 -2.908 -3.630 3.259
64 HE1 HIS 8 HE1 HIS 8 -4.777 -4.163 6.949
65 HE2 HIS 8 HE2 HIS 8 -2.706 -4.900 5.607
66 H VAL 9 H VAL 9 -4.467 -1.658 0.113
67 HA VAL 9 HA VAL 9 -2.008 -3.257 -0.124
68 HB VAL 9 HB VAL 9 -2.604 -3.810 -2.311
69 HG11 VAL 9 3HG2 VAL 9 -4.793 -4.883 -2.085
70 HG12 VAL 9 1HG2 VAL 9 -3.918 -4.957 -0.538
71 HG13 VAL 9 2HG2 VAL 9 -5.241 -3.787 -0.761
72 HG21 VAL 9 1HG1 VAL 9 -4.487 -2.983 -3.670
73 HG22 VAL 9 2HG1 VAL 9 -4.865 -1.758 -2.436
74 HG23 VAL 9 3HG1 VAL 9 -3.345 -1.669 -3.359
75 H TYR 10 H TYR 10 -2.730 0.099 -1.001
76 HA TYR 10 HA TYR 10 -0.303 0.491 -2.666
77 HB2 TYR 10 2HB TYR 10 -2.507 1.934 -2.746
78 HB3 TYR 10 1HB TYR 10 -1.988 2.670 -1.241
79 HD1 TYR 10 HD1 TYR 10 -1.181 2.290 -4.880
80 HD2 TYR 10 HD2 TYR 10 -0.130 4.331 -1.239
81 HE1 TYR 10 HE1 TYR 10 0.178 3.888 -6.158
82 HE2 TYR 10 HE2 TYR 10 1.231 5.917 -2.529
83 HH TYR 10 HH TYR 10 1.951 6.525 -4.539
84 H HIS 11 H HIS 11 -1.018 1.057 0.818
85 HA HIS 11 HA HIS 11 1.568 2.362 1.424
86 HB2 HIS 11 1HB HIS 11 -0.679 1.169 3.157
87 HB3 HIS 11 2HB HIS 11 0.841 1.556 3.899
88 HD2 HIS 11 HD2 HIS 11 -1.595 3.581 1.469
89 HE1 HIS 11 HE1 HIS 11 -0.415 6.115 4.544
90 HE2 HIS 11 HE2 HIS 11 -1.896 6.020 2.444
91 H ILE 12 H ILE 12 0.543 -1.063 1.542
92 HA ILE 12 HA ILE 12 3.011 -2.069 2.810
93 HB ILE 12 HB ILE 12 0.964 -3.540 1.052
94 HG12 ILE 12 1HG1 ILE 12 1.355 -3.639 4.119
95 HG13 ILE 12 2HG1 ILE 12 0.149 -2.630 3.318
96 HG21 ILE 12 1HG2 ILE 12 3.141 -4.788 0.961
97 HG22 ILE 12 2HG2 ILE 12 1.946 -5.697 1.878
98 HG23 ILE 12 3HG2 ILE 12 3.227 -4.806 2.740
99 HD11 ILE 12 3HD1 ILE 12 -0.936 -4.652 4.144
100 HD12 ILE 12 1HD1 ILE 12 0.161 -5.709 3.244
101 HD13 ILE 12 2HD1 ILE 12 -0.990 -4.666 2.363
102 H LEU 13 H LEU 13 2.049 -1.760 -0.654
103 HA LEU 13 HA LEU 13 4.601 -2.647 -1.776
104 HB2 LEU 13 2HB LEU 13 2.397 -0.829 -2.952
105 HB3 LEU 13 1HB LEU 13 3.744 -1.369 -3.921
106 HG LEU 13 HG LEU 13 1.762 -3.310 -2.573
107 HD11 LEU 13 1HD1 LEU 13 0.575 -1.867 -4.225
108 HD12 LEU 13 2HD1 LEU 13 0.691 -3.537 -4.811
109 HD13 LEU 13 3HD1 LEU 13 1.765 -2.283 -5.484
110 HD21 LEU 13 3HD2 LEU 13 3.956 -4.403 -3.109
111 HD22 LEU 13 1HD2 LEU 13 3.863 -3.820 -4.789
112 HD23 LEU 13 2HD2 LEU 13 2.681 -5.007 -4.181
113 H LYS 14 H LYS 14 3.429 0.768 -1.183
114 HA LYS 14 HA LYS 14 5.702 2.152 -2.034
115 HB2 LYS 14 1HB LYS 14 3.409 3.004 -1.181
116 HB3 LYS 14 2HB LYS 14 4.097 3.051 0.419
117 HG2 LYS 14 1HG LYS 14 5.027 4.589 -2.095
118 HG3 LYS 14 2HG LYS 14 4.027 5.235 -0.817
119 HD2 LYS 14 2HD LYS 14 7.002 4.500 -0.592
120 HD3 LYS 14 1HD LYS 14 6.315 6.103 -0.709
121 HE2 LYS 14 2HE LYS 14 5.174 5.835 1.530
122 HE3 LYS 14 1HE LYS 14 5.823 4.195 1.679
123 HZ1 LYS 14 2HZ LYS 14 7.432 6.677 1.478
124 HZ3 LYS 14 1HZ LYS 14 7.166 5.811 2.839
125 H HIS 15 H HIS 15 5.275 0.779 1.206
126 HA HIS 15 HA HIS 15 7.766 1.821 2.422
127 HB2 HIS 15 2HB HIS 15 5.774 1.184 3.782
128 HB3 HIS 15 1HB HIS 15 5.952 -0.497 3.310
129 HD2 HIS 15 HD2 HIS 15 8.018 -1.903 4.433
130 HE1 HIS 15 HE1 HIS 15 9.005 0.912 7.339
131 HE2 HIS 15 HE2 HIS 15 9.408 -1.541 6.673
132 H ILE 16 H ILE 16 7.017 -1.259 0.835
133 HA ILE 16 HA ILE 16 9.643 -2.513 1.386
134 HB ILE 16 HB ILE 16 7.598 -3.353 -0.739
135 HG12 ILE 16 2HG1 ILE 16 8.119 -4.673 2.014
136 HG13 ILE 16 1HG1 ILE 16 6.881 -3.438 1.827
137 HG21 ILE 16 1HG2 ILE 16 9.861 -4.282 -1.275
138 HG22 ILE 16 2HG2 ILE 16 8.789 -5.573 -0.732
139 HG23 ILE 16 3HG2 ILE 16 10.021 -4.921 0.376
140 HD11 ILE 16 3HD1 ILE 16 5.799 -5.614 1.688
141 HD12 ILE 16 1HD1 ILE 16 6.855 -6.148 0.364
142 HD13 ILE 16 2HD1 ILE 16 5.679 -4.833 0.094
143 H LYS 17 H LYS 17 8.380 -0.947 -1.647
144 HA LYS 17 HA LYS 17 10.948 -1.128 -3.050
145 HB2 LYS 17 1HB LYS 17 10.004 0.189 -4.817
146 HB3 LYS 17 2HB LYS 17 8.854 -0.987 -4.264
147 HG2 LYS 17 2HG LYS 17 7.385 0.744 -4.465
148 HG3 LYS 17 1HG LYS 17 7.853 1.059 -2.807
149 HD2 LYS 17 2HD LYS 17 9.625 2.740 -3.764
150 HD3 LYS 17 1HD LYS 17 8.902 2.467 -5.346
151 HE2 LYS 17 1HE LYS 17 6.656 3.283 -4.446
152 HE3 LYS 17 2HE LYS 17 7.393 3.532 -2.856
153 HZ1 LYS 17 2HZ LYS 17 8.889 5.139 -3.828
154 HZ3 LYS 17 1HZ LYS 17 7.331 5.564 -4.085
155 H ASP 18 H ASP 18 9.656 1.503 -1.026
156 HA ASP 18 HA ASP 18 11.811 3.416 -1.688
157 HB2 ASP 18 1HB ASP 18 9.492 4.057 -0.916
158 HB3 ASP 18 2HB ASP 18 9.848 3.448 0.690
159 HD2 ASP 18 HD2 ASP 18 11.125 4.541 1.932
160 H GLY 19 H GLY 19 11.275 1.348 1.235
161 HA2 GLY 19 1HA GLY 19 13.820 2.062 2.555
162 HA3 GLY 19 2HA GLY 19 12.779 0.722 2.989
163 H LYS 20 H LYS 20 12.842 -1.168 1.341
164 HA LYS 20 HA LYS 20 15.693 -2.030 1.045
165 HB2 LYS 20 2HB LYS 20 13.031 -3.491 0.477
166 HB3 LYS 20 1HB LYS 20 14.591 -4.230 0.116
167 HG2 LYS 20 1HG LYS 20 15.280 -4.011 2.533
168 HG3 LYS 20 2HG LYS 20 13.719 -3.287 2.922
169 HD2 LYS 20 1HD LYS 20 12.542 -5.372 2.119
170 HD3 LYS 20 2HD LYS 20 14.082 -6.125 1.738
171 HE2 LYS 20 2HE LYS 20 13.226 -5.213 4.576
172 HE3 LYS 20 1HE LYS 20 13.026 -6.846 3.946
173 HZ1 LYS 20 2HZ LYS 20 15.407 -7.039 3.708
174 HZ3 LYS 20 1HZ LYS 20 15.000 -6.696 5.254
175 HN1 NH2 21 2HN NH2 21 14.219 -1.616 -2.829
176 HN2 NH2 21 1HN NH2 21 13.047 -2.078 -1.495
Start of MODEL 3
1 H1 ACE 1 3HA ACE 1 -19.284 -2.447 0.470
2 H2 ACE 1 1HA ACE 1 -18.497 -1.234 -0.578
3 H3 ACE 1 2HA ACE 1 -18.544 -0.996 1.198
4 H ASN 1 H ASN 1 -15.124 -2.506 0.670
5 HA ASN 1 HA ASN 1 -16.580 0.070 -0.020
6 HB2 ASN 1 2HB ASN 1 -16.596 -0.097 2.491
7 HB3 ASN 1 1HB ASN 1 -14.855 -0.222 2.525
8 HD21 ASN 1 1HD2 ASN 1 -13.830 1.728 2.831
9 HD22 ASN 1 2HD2 ASN 1 -14.588 3.370 2.526
10 H GLU 2 H GLU 2 -15.540 0.714 -1.714
11 HA GLU 2 HA GLU 2 -13.075 0.015 -2.728
12 HB2 GLU 2 2HB GLU 2 -15.094 1.371 -3.782
13 HB3 GLU 2 1HB GLU 2 -14.246 2.809 -3.290
14 HG2 GLU 2 1HG GLU 2 -13.111 0.604 -5.150
15 HG3 GLU 2 2HG GLU 2 -13.972 2.021 -5.712
16 HE2 GLU 2 HE2 GLU 2 -11.387 4.307 -5.016
17 H VAL 3 H VAL 3 -13.454 2.745 -0.486
18 HA VAL 3 HA VAL 3 -10.751 3.857 -0.879
19 HB VAL 3 HB VAL 3 -12.670 4.290 1.488
20 HG11 VAL 3 1HG1 VAL 3 -11.405 6.410 1.881
21 HG12 VAL 3 2HG1 VAL 3 -10.269 5.989 0.565
22 HG13 VAL 3 3HG1 VAL 3 -10.348 4.997 2.043
23 HG21 VAL 3 3HG2 VAL 3 -13.349 6.439 0.394
24 HG22 VAL 3 1HG2 VAL 3 -13.810 5.047 -0.594
25 HG23 VAL 3 2HG2 VAL 3 -12.391 6.020 -1.055
26 H SER 4 H SER 4 -12.154 2.014 1.806
27 HA SER 4 HA SER 4 -9.795 1.397 3.251
28 HB2 SER 4 1HB SER 4 -10.894 -0.489 4.310
29 HB3 SER 4 2HB SER 4 -11.997 0.871 4.141
30 HG SER 4 HG SER 4 -12.850 -0.164 2.278
31 H GLU 5 H GLU 5 -11.089 -0.879 0.802
32 HA GLU 5 HA GLU 5 -8.929 -2.677 0.698
33 HB2 GLU 5 2HB GLU 5 -9.673 -3.507 -1.456
34 HB3 GLU 5 1HB GLU 5 -10.967 -3.295 -0.308
35 HG2 GLU 5 1HG GLU 5 -11.514 -1.073 -1.558
36 HG3 GLU 5 2HG GLU 5 -10.341 -1.553 -2.787
37 HE2 GLU 5 HE2 GLU 5 -10.694 -3.347 -3.905
38 H ARG 6 H ARG 6 -9.163 0.164 -1.432
39 HA ARG 6 HA ARG 6 -6.599 -0.374 -2.786
40 HB2 ARG 6 1HB ARG 6 -8.633 1.010 -3.711
41 HB3 ARG 6 2HB ARG 6 -8.143 2.330 -2.653
42 HG2 ARG 6 1HG ARG 6 -5.919 2.465 -3.860
43 HG3 ARG 6 2HG ARG 6 -6.426 1.153 -4.943
44 HD2 ARG 6 2HD ARG 6 -8.379 2.550 -5.741
45 HD3 ARG 6 1HD ARG 6 -7.896 3.865 -4.656
46 HH11 ARG 6 1HH1 ARG 6 -8.836 4.625 -6.714
47 HH12 ARG 6 2HH1 ARG 6 -8.258 5.587 -8.167
48 HH21 ARG 6 1HH2 ARG 6 -5.044 4.363 -7.979
49 HH22 ARG 6 2HH2 ARG 6 -6.254 5.446 -8.832
50 H VAL 7 H VAL 7 -7.287 2.055 -0.147
51 HA VAL 7 HA VAL 7 -4.685 3.032 0.165
52 HB VAL 7 HB VAL 7 -6.810 2.555 2.316
53 HG11 VAL 7 1HG1 VAL 7 -4.252 4.260 2.598
54 HG12 VAL 7 2HG1 VAL 7 -4.663 2.804 3.537
55 HG13 VAL 7 3HG1 VAL 7 -5.637 4.269 3.727
56 HG21 VAL 7 3HG2 VAL 7 -7.295 4.984 2.034
57 HG22 VAL 7 1HG2 VAL 7 -7.423 4.199 0.454
58 HG23 VAL 7 2HG2 VAL 7 -5.982 5.155 0.841
59 H HIS 8 H HIS 8 -5.931 0.046 1.846
60 HA HIS 8 HA HIS 8 -3.692 -0.856 3.170
61 HB2 HIS 8 1HB HIS 8 -6.172 -1.854 2.838
62 HB3 HIS 8 2HB HIS 8 -5.431 -2.856 1.619
63 HD2 HIS 8 HD2 HIS 8 -2.818 -3.869 2.706
64 HE1 HIS 8 HE1 HIS 8 -4.702 -4.874 6.288
65 HE2 HIS 8 HE2 HIS 8 -2.587 -5.375 4.906
66 H VAL 9 H VAL 9 -4.484 -1.682 -0.255
67 HA VAL 9 HA VAL 9 -2.039 -3.256 -0.681
68 HB VAL 9 HB VAL 9 -2.661 -3.567 -2.916
69 HG11 VAL 9 3HG2 VAL 9 -3.967 -4.894 -1.272
70 HG12 VAL 9 1HG2 VAL 9 -5.274 -3.690 -1.335
71 HG13 VAL 9 2HG2 VAL 9 -4.866 -4.629 -2.785
72 HG21 VAL 9 1HG1 VAL 9 -4.838 -1.450 -2.762
73 HG22 VAL 9 2HG1 VAL 9 -3.370 -1.356 -3.758
74 HG23 VAL 9 3HG1 VAL 9 -4.606 -2.572 -4.121
75 H TYR 10 H TYR 10 -2.731 0.178 -1.177
76 HA TYR 10 HA TYR 10 -0.323 0.739 -2.830
77 HB2 TYR 10 1HB TYR 10 -2.513 2.202 -2.698
78 HB3 TYR 10 2HB TYR 10 -1.967 2.742 -1.119
79 HD1 TYR 10 HD1 TYR 10 -1.100 2.731 -4.782
80 HD2 TYR 10 HD2 TYR 10 -0.239 4.482 -0.945
81 HE1 TYR 10 HE1 TYR 10 0.205 4.503 -5.874
82 HE2 TYR 10 HE2 TYR 10 1.049 6.255 -2.052
83 HH TYR 10 HH TYR 10 1.786 7.076 -3.977
84 H HIS 11 H HIS 11 -0.993 0.960 0.706
85 HA HIS 11 HA HIS 11 1.651 2.068 1.408
86 HB2 HIS 11 2HB HIS 11 -0.641 0.838 3.036
87 HB3 HIS 11 1HB HIS 11 0.907 1.054 3.798
88 HD2 HIS 11 HD2 HIS 11 -1.589 3.360 1.737
89 HE1 HIS 11 HE1 HIS 11 0.175 5.697 4.688
90 HE2 HIS 11 HE2 HIS 11 -1.582 5.780 2.811
91 H ILE 12 H ILE 12 0.575 -1.296 0.982
92 HA ILE 12 HA ILE 12 2.927 -2.547 2.261
93 HB ILE 12 HB ILE 12 0.981 -3.695 0.175
94 HG12 ILE 12 1HG1 ILE 12 1.179 -4.293 3.201
95 HG13 ILE 12 2HG1 ILE 12 0.054 -3.119 2.518
96 HG21 ILE 12 1HG2 ILE 12 3.123 -5.240 1.787
97 HG22 ILE 12 2HG2 ILE 12 1.890 -5.969 0.727
98 HG23 ILE 12 3HG2 ILE 12 3.149 -4.958 0.029
99 HD11 ILE 12 3HD1 ILE 12 -1.094 -4.907 1.176
100 HD12 ILE 12 1HD1 ILE 12 -0.010 -6.136 1.885
101 HD13 ILE 12 2HD1 ILE 12 -1.119 -5.236 2.927
102 H LEU 13 H LEU 13 2.222 -1.763 -1.209
103 HA LEU 13 HA LEU 13 4.923 -2.495 -2.153
104 HB2 LEU 13 1HB LEU 13 2.611 -0.934 -3.465
105 HB3 LEU 13 2HB LEU 13 4.178 -0.995 -4.225
106 HG LEU 13 HG LEU 13 4.122 -3.525 -4.227
107 HD11 LEU 13 3HD2 LEU 13 1.887 -4.680 -4.094
108 HD12 LEU 13 1HD2 LEU 13 2.367 -4.038 -2.520
109 HD13 LEU 13 2HD2 LEU 13 1.137 -3.184 -3.487
110 HD21 LEU 13 1HD1 LEU 13 3.628 -2.156 -6.256
111 HD22 LEU 13 2HD1 LEU 13 1.905 -2.072 -5.813
112 HD23 LEU 13 3HD1 LEU 13 2.649 -3.634 -6.241
113 H LYS 14 H LYS 14 3.488 0.767 -1.334
114 HA LYS 14 HA LYS 14 5.704 2.384 -1.886
115 HB2 LYS 14 1HB LYS 14 3.434 3.131 -1.286
116 HB3 LYS 14 2HB LYS 14 3.695 2.694 0.399
117 HG2 LYS 14 2HG LYS 14 5.468 4.459 0.604
118 HG3 LYS 14 1HG LYS 14 5.369 4.794 -1.117
119 HD2 LYS 14 1HD LYS 14 4.165 6.537 0.070
120 HD3 LYS 14 2HD LYS 14 3.047 5.617 -0.905
121 HE2 LYS 14 1HE LYS 14 1.956 6.124 1.200
122 HE3 LYS 14 2HE LYS 14 2.217 4.388 1.162
123 HZ1 LYS 14 2HZ LYS 14 2.789 5.363 3.287
124 HZ3 LYS 14 1HZ LYS 14 3.881 6.377 2.615
125 H HIS 15 H HIS 15 5.199 0.627 1.153
126 HA HIS 15 HA HIS 15 7.556 1.687 2.606
127 HB2 HIS 15 1HB HIS 15 5.544 0.804 3.785
128 HB3 HIS 15 2HB HIS 15 5.853 -0.810 3.166
129 HD2 HIS 15 HD2 HIS 15 7.953 -2.191 4.254
130 HE1 HIS 15 HE1 HIS 15 8.622 0.376 7.465
131 HE2 HIS 15 HE2 HIS 15 9.214 -1.969 6.587
132 H ILE 16 H ILE 16 7.054 -1.277 0.722
133 HA ILE 16 HA ILE 16 9.724 -2.426 1.242
134 HB ILE 16 HB ILE 16 7.814 -3.148 -1.046
135 HG12 ILE 16 2HG1 ILE 16 8.287 -4.707 1.587
136 HG13 ILE 16 1HG1 ILE 16 6.989 -3.527 1.457
137 HG21 ILE 16 1HG2 ILE 16 10.144 -3.902 -1.566
138 HG22 ILE 16 2HG2 ILE 16 9.124 -5.294 -1.202
139 HG23 ILE 16 3HG2 ILE 16 10.272 -4.695 0.020
140 HD11 ILE 16 3HD1 ILE 16 6.040 -5.730 1.057
141 HD12 ILE 16 1HD1 ILE 16 5.951 -4.809 -0.462
142 HD13 ILE 16 2HD1 ILE 16 7.186 -6.080 -0.254
143 H LYS 17 H LYS 17 8.491 -0.627 -1.681
144 HA LYS 17 HA LYS 17 11.089 -0.558 -3.004
145 HB2 LYS 17 2HB LYS 17 10.170 0.939 -4.629
146 HB3 LYS 17 1HB LYS 17 9.038 -0.320 -4.254
147 HG2 LYS 17 1HG LYS 17 7.528 1.368 -4.306
148 HG3 LYS 17 2HG LYS 17 7.935 1.528 -2.610
149 HD2 LYS 17 1HD LYS 17 9.607 3.381 -3.244
150 HD3 LYS 17 2HD LYS 17 9.116 3.196 -4.927
151 HE2 LYS 17 1HE LYS 17 6.722 3.807 -4.287
152 HE3 LYS 17 2HE LYS 17 7.228 3.992 -2.602
153 HZ1 LYS 17 2HZ LYS 17 8.727 5.748 -3.278
154 HZ3 LYS 17 1HZ LYS 17 7.191 6.095 -3.714
155 H ASP 18 H ASP 18 9.719 1.813 -0.707
156 HA ASP 18 HA ASP 18 11.908 3.779 -1.103
157 HB2 ASP 18 2HB ASP 18 9.854 3.548 1.180
158 HB3 ASP 18 1HB ASP 18 11.054 4.818 1.084
159 HD2 ASP 18 HD2 ASP 18 9.642 6.345 -1.805
160 H GLY 19 H GLY 19 11.403 1.223 1.388
161 HA2 GLY 19 2HA GLY 19 13.846 1.855 2.935
162 HA3 GLY 19 1HA GLY 19 12.897 0.391 3.068
163 H LYS 20 H LYS 20 13.162 -1.151 1.069
164 HA LYS 20 HA LYS 20 15.876 -1.161 -0.170
165 HB2 LYS 20 1HB LYS 20 15.080 -3.380 1.855
166 HB3 LYS 20 2HB LYS 20 16.266 -3.659 0.579
167 HG2 LYS 20 2HG LYS 20 17.697 -1.774 1.486
168 HG3 LYS 20 1HG LYS 20 16.540 -1.538 2.799
169 HD2 LYS 20 2HD LYS 20 16.917 -3.919 3.569
170 HD3 LYS 20 1HD LYS 20 18.080 -4.158 2.260
171 HE2 LYS 20 2HE LYS 20 19.543 -2.309 3.219
172 HE3 LYS 20 1HE LYS 20 18.378 -2.070 4.531
173 HZ1 LYS 20 2HZ LYS 20 20.162 -3.486 5.223
174 HZ3 LYS 20 1HZ LYS 20 18.766 -4.337 5.242
175 HN1 NH2 21 2HN NH2 21 14.667 -0.988 -2.059
176 HN2 NH2 21 1HN NH2 21 13.245 -2.077 -2.417
Start of MODEL 4
1 H1 ACE 1 3HA ACE 1 -16.800 -3.371 -2.015
2 H2 ACE 1 1HA ACE 1 -17.504 -1.908 -1.272
3 H3 ACE 1 2HA ACE 1 -15.890 -1.837 -2.047
4 H ASN 1 H ASN 1 -15.028 -2.298 1.600
5 HA ASN 1 HA ASN 1 -16.397 -0.168 -0.044
6 HB2 ASN 1 2HB ASN 1 -14.724 0.063 2.530
7 HB3 ASN 1 1HB ASN 1 -15.409 1.431 1.691
8 HD21 ASN 1 1HD2 ASN 1 -17.734 1.675 1.647
9 HD22 ASN 1 2HD2 ASN 1 -18.758 0.829 2.913
10 H GLU 2 H GLU 2 -15.437 0.959 -1.556
11 HA GLU 2 HA GLU 2 -12.981 0.535 -2.724
12 HB2 GLU 2 2HB GLU 2 -15.048 1.908 -3.593
13 HB3 GLU 2 1HB GLU 2 -14.365 3.295 -2.771
14 HG2 GLU 2 2HG GLU 2 -12.281 3.118 -4.230
15 HG3 GLU 2 1HG GLU 2 -12.947 1.688 -5.011
16 HE2 GLU 2 HE2 GLU 2 -14.686 1.880 -6.228
17 H VAL 3 H VAL 3 -13.381 2.921 -0.129
18 HA VAL 3 HA VAL 3 -10.691 4.121 -0.408
19 HB VAL 3 HB VAL 3 -12.640 4.239 1.975
20 HG11 VAL 3 3HG2 VAL 3 -10.218 6.041 1.344
21 HG12 VAL 3 1HG2 VAL 3 -11.388 6.289 2.674
22 HG13 VAL 3 2HG2 VAL 3 -10.335 4.865 2.678
23 HG21 VAL 3 1HG1 VAL 3 -12.295 6.285 -0.314
24 HG22 VAL 3 2HG1 VAL 3 -13.727 5.268 -0.019
25 HG23 VAL 3 3HG1 VAL 3 -13.289 6.518 1.152
26 H SER 4 H SER 4 -12.066 1.978 2.064
27 HA SER 4 HA SER 4 -9.697 1.189 3.396
28 HB2 SER 4 2HB SER 4 -10.796 -0.805 4.243
29 HB3 SER 4 1HB SER 4 -11.890 0.571 4.249
30 HG SER 4 HG SER 4 -12.778 -0.234 2.291
31 H GLU 5 H GLU 5 -11.018 -0.776 0.698
32 HA GLU 5 HA GLU 5 -8.875 -2.564 0.382
33 HB2 GLU 5 1HB GLU 5 -9.603 -3.135 -1.850
34 HB3 GLU 5 2HB GLU 5 -10.916 -3.027 -0.710
35 HG2 GLU 5 2HG GLU 5 -11.393 -0.661 -1.725
36 HG3 GLU 5 1HG GLU 5 -10.207 -1.047 -2.973
37 HE2 GLU 5 HE2 GLU 5 -13.106 -2.008 -1.472
38 H ARG 6 H ARG 6 -9.044 0.557 -1.323
39 HA ARG 6 HA ARG 6 -6.460 0.170 -2.715
40 HB2 ARG 6 1HB ARG 6 -8.448 1.720 -3.468
41 HB3 ARG 6 2HB ARG 6 -7.958 2.854 -2.212
42 HG2 ARG 6 1HG ARG 6 -5.679 3.071 -3.345
43 HG3 ARG 6 2HG ARG 6 -6.231 1.980 -4.632
44 HD2 ARG 6 1HD ARG 6 -8.098 3.601 -5.205
45 HD3 ARG 6 2HD ARG 6 -7.541 4.695 -3.927
46 HH11 ARG 6 2HH1 ARG 6 -8.380 5.870 -5.804
47 HH12 ARG 6 1HH1 ARG 6 -7.711 7.012 -7.075
48 HH21 ARG 6 2HH2 ARG 6 -4.614 5.504 -7.123
49 HH22 ARG 6 1HH2 ARG 6 -5.722 6.816 -7.770
50 H VAL 7 H VAL 7 -7.180 2.185 0.247
51 HA VAL 7 HA VAL 7 -4.579 3.071 0.744
52 HB VAL 7 HB VAL 7 -6.725 2.299 2.789
53 HG11 VAL 7 1HG1 VAL 7 -4.173 3.960 3.299
54 HG12 VAL 7 2HG1 VAL 7 -4.572 2.385 4.029
55 HG13 VAL 7 3HG1 VAL 7 -5.554 3.804 4.422
56 HG21 VAL 7 3HG2 VAL 7 -7.372 4.166 1.194
57 HG22 VAL 7 1HG2 VAL 7 -5.915 5.067 1.655
58 HG23 VAL 7 2HG2 VAL 7 -7.196 4.754 2.853
59 H HIS 8 H HIS 8 -5.873 -0.115 1.970
60 HA HIS 8 HA HIS 8 -3.652 -1.219 3.164
61 HB2 HIS 8 2HB HIS 8 -6.155 -2.101 2.694
62 HB3 HIS 8 1HB HIS 8 -5.434 -2.940 1.346
63 HD2 HIS 8 HD2 HIS 8 -2.928 -4.251 2.216
64 HE1 HIS 8 HE1 HIS 8 -4.770 -5.580 5.713
65 HE2 HIS 8 HE2 HIS 8 -2.741 -6.043 4.197
66 H VAL 9 H VAL 9 -4.443 -1.522 -0.342
67 HA VAL 9 HA VAL 9 -2.037 -3.088 -0.988
68 HB VAL 9 HB VAL 9 -2.657 -3.080 -3.236
69 HG11 VAL 9 3HG2 VAL 9 -5.288 -3.348 -1.698
70 HG12 VAL 9 1HG2 VAL 9 -4.004 -4.578 -1.781
71 HG13 VAL 9 2HG2 VAL 9 -4.880 -4.104 -3.254
72 HG21 VAL 9 1HG1 VAL 9 -3.324 -0.735 -3.743
73 HG22 VAL 9 2HG1 VAL 9 -4.836 -0.961 -2.823
74 HG23 VAL 9 3HG1 VAL 9 -4.546 -1.880 -4.317
75 H TYR 10 H TYR 10 -2.649 0.399 -1.004
76 HA TYR 10 HA TYR 10 -0.220 1.113 -2.556
77 HB2 TYR 10 2HB TYR 10 -2.369 2.606 -2.249
78 HB3 TYR 10 1HB TYR 10 -1.821 2.924 -0.613
79 HD1 TYR 10 HD1 TYR 10 -1.047 3.450 -4.239
80 HD2 TYR 10 HD2 TYR 10 0.110 4.456 -0.217
81 HE1 TYR 10 HE1 TYR 10 0.372 5.265 -5.093
82 HE2 TYR 10 HE2 TYR 10 1.530 6.262 -1.085
83 HH TYR 10 HH TYR 10 2.265 7.331 -2.886
84 H HIS 11 H HIS 11 -0.903 0.863 0.977
85 HA HIS 11 HA HIS 11 1.745 1.850 1.831
86 HB2 HIS 11 1HB HIS 11 -0.555 0.395 3.266
87 HB3 HIS 11 2HB HIS 11 0.988 0.500 4.055
88 HD2 HIS 11 HD2 HIS 11 -1.490 3.091 2.342
89 HE1 HIS 11 HE1 HIS 11 0.178 4.919 5.681
90 HE2 HIS 11 HE2 HIS 11 -1.539 5.297 3.804
91 H ILE 12 H ILE 12 0.597 -1.459 1.114
92 HA ILE 12 HA ILE 12 3.028 -2.822 2.098
93 HB ILE 12 HB ILE 12 0.939 -3.766 0.050
94 HG12 ILE 12 1HG1 ILE 12 1.319 -4.605 3.004
95 HG13 ILE 12 2HG1 ILE 12 0.146 -3.399 2.471
96 HG21 ILE 12 1HG2 ILE 12 3.161 -5.462 1.378
97 HG22 ILE 12 2HG2 ILE 12 1.855 -6.088 0.339
98 HG23 ILE 12 3HG2 ILE 12 3.076 -5.023 -0.346
99 HD11 ILE 12 3HD1 ILE 12 -0.999 -5.529 2.798
100 HD12 ILE 12 1HD1 ILE 12 -1.053 -5.112 1.066
101 HD13 ILE 12 2HD1 ILE 12 0.065 -6.370 1.662
102 H LEU 13 H LEU 13 2.081 -1.659 -1.182
103 HA LEU 13 HA LEU 13 4.623 -2.325 -2.484
104 HB2 LEU 13 2HB LEU 13 2.442 -0.266 -3.225
105 HB3 LEU 13 1HB LEU 13 3.788 -0.591 -4.288
106 HG LEU 13 HG LEU 13 1.763 -2.747 -3.414
107 HD11 LEU 13 1HD1 LEU 13 1.842 -1.119 -6.035
108 HD12 LEU 13 2HD1 LEU 13 0.629 -0.966 -4.740
109 HD13 LEU 13 3HD1 LEU 13 0.739 -2.470 -5.673
110 HD21 LEU 13 3HD2 LEU 13 3.893 -2.817 -5.661
111 HD22 LEU 13 1HD2 LEU 13 2.682 -4.082 -5.331
112 HD23 LEU 13 2HD2 LEU 13 3.950 -3.744 -4.142
113 H LYS 14 H LYS 14 3.501 0.894 -1.143
114 HA LYS 14 HA LYS 14 5.839 2.346 -1.657
115 HB2 LYS 14 2HB LYS 14 3.598 3.153 -0.796
116 HB3 LYS 14 1HB LYS 14 4.100 2.779 0.835
117 HG2 LYS 14 2HG LYS 14 5.632 4.692 -1.066
118 HG3 LYS 14 1HG LYS 14 4.274 5.205 -0.084
119 HD2 LYS 14 2HD LYS 14 5.519 4.591 2.034
120 HD3 LYS 14 1HD LYS 14 6.891 4.075 1.073
121 HE2 LYS 14 2HE LYS 14 7.452 6.253 1.848
122 HE3 LYS 14 1HE LYS 14 7.143 6.419 0.123
123 HZ1 LYS 14 2HZ LYS 14 4.907 7.239 0.691
124 HZ3 LYS 14 1HZ LYS 14 5.212 7.076 2.289
125 H HIS 15 H HIS 15 5.286 0.371 1.242
126 HA HIS 15 HA HIS 15 7.779 1.089 2.672
127 HB2 HIS 15 2HB HIS 15 5.742 0.268 3.857
128 HB3 HIS 15 1HB HIS 15 5.890 -1.300 3.082
129 HD2 HIS 15 HD2 HIS 15 7.769 -2.985 4.038
130 HE1 HIS 15 HE1 HIS 15 9.005 -0.682 7.280
131 HE2 HIS 15 HE2 HIS 15 9.200 -3.047 6.283
132 H ILE 16 H ILE 16 6.982 -1.610 0.513
133 HA ILE 16 HA ILE 16 9.636 -2.935 0.862
134 HB ILE 16 HB ILE 16 7.507 -3.566 -1.253
135 HG12 ILE 16 2HG1 ILE 16 8.153 -5.157 1.326
136 HG13 ILE 16 1HG1 ILE 16 6.878 -3.942 1.303
137 HG21 ILE 16 1HG2 ILE 16 10.001 -5.196 -0.421
138 HG22 ILE 16 2HG2 ILE 16 9.752 -4.386 -1.985
139 HG23 ILE 16 3HG2 ILE 16 8.729 -5.751 -1.538
140 HD11 ILE 16 3HD1 ILE 16 5.664 -5.193 -0.534
141 HD12 ILE 16 1HD1 ILE 16 6.876 -6.497 -0.416
142 HD13 ILE 16 2HD1 ILE 16 5.843 -6.116 0.977
143 H LYS 17 H LYS 17 8.214 -1.073 -1.935
144 HA LYS 17 HA LYS 17 10.721 -1.110 -3.448
145 HB2 LYS 17 1HB LYS 17 8.508 -0.899 -4.531
146 HB3 LYS 17 2HB LYS 17 8.203 0.638 -3.750
147 HG2 LYS 17 2HG LYS 17 8.731 0.937 -6.103
148 HG3 LYS 17 1HG LYS 17 9.909 1.781 -5.124
149 HD2 LYS 17 2HD LYS 17 11.554 -0.169 -5.496
150 HD3 LYS 17 1HD LYS 17 10.325 -0.983 -6.451
151 HE2 LYS 17 1HE LYS 17 11.830 0.033 -8.022
152 HE3 LYS 17 2HE LYS 17 10.338 0.965 -8.112
153 HZ1 LYS 17 2HZ LYS 17 12.799 1.730 -6.628
154 HZ3 LYS 17 1HZ LYS 17 12.303 2.358 -8.054
155 H ASP 18 H ASP 18 9.195 1.714 -1.758
156 HA ASP 18 HA ASP 18 11.617 3.375 -2.019
157 HB2 ASP 18 2HB ASP 18 9.221 4.246 -1.850
158 HB3 ASP 18 1HB ASP 18 9.227 3.866 -0.140
159 HD2 ASP 18 HD2 ASP 18 10.998 6.651 0.793
160 H GLY 19 H GLY 19 10.343 1.481 0.796
161 HA2 GLY 19 1HA GLY 19 12.417 2.400 2.690
162 HA3 GLY 19 2HA GLY 19 11.334 1.055 2.934
163 H LYS 20 H LYS 20 11.937 -0.897 1.263
164 HA LYS 20 HA LYS 20 14.711 -1.691 2.099
165 HB2 LYS 20 1HB LYS 20 12.489 -3.281 0.662
166 HB3 LYS 20 2HB LYS 20 14.086 -3.962 0.949
167 HG2 LYS 20 1HG LYS 20 13.804 -3.636 3.434
168 HG3 LYS 20 2HG LYS 20 12.199 -2.949 3.171
169 HD2 LYS 20 2HD LYS 20 11.444 -5.110 2.087
170 HD3 LYS 20 1HD LYS 20 13.048 -5.803 2.353
171 HE2 LYS 20 1HE LYS 20 12.754 -5.521 4.866
172 HE3 LYS 20 2HE LYS 20 11.148 -4.826 4.599
173 HZ1 LYS 20 2HZ LYS 20 10.499 -6.911 3.527
174 HZ3 LYS 20 1HZ LYS 20 11.982 -7.553 3.774
175 HN1 NH2 21 2HN NH2 21 14.727 -1.418 -2.055
176 HN2 NH2 21 1HN NH2 21 13.151 -1.842 -1.217
Start of MODEL 5
1 H1 ACE 1 3HA ACE 1 -16.492 -4.646 -0.090
2 H2 ACE 1 1HA ACE 1 -16.692 -4.017 1.563
3 H3 ACE 1 2HA ACE 1 -15.055 -4.223 0.872
4 H ASN 1 H ASN 1 -15.352 -1.869 1.819
5 HA ASN 1 HA ASN 1 -16.561 0.131 -0.076
6 HB2 ASN 1 2HB ASN 1 -14.916 0.566 2.494
7 HB3 ASN 1 1HB ASN 1 -15.529 1.866 1.507
8 HD21 ASN 1 1HD2 ASN 1 -17.839 2.205 1.398
9 HD22 ASN 1 2HD2 ASN 1 -18.917 1.535 2.723
10 H GLU 2 H GLU 2 -15.526 1.081 -1.705
11 HA GLU 2 HA GLU 2 -13.093 0.417 -2.778
12 HB2 GLU 2 1HB GLU 2 -14.702 3.040 -3.036
13 HB3 GLU 2 2HB GLU 2 -13.343 2.705 -4.066
14 HG2 GLU 2 1HG GLU 2 -14.471 0.582 -4.921
15 HG3 GLU 2 2HG GLU 2 -15.874 0.948 -3.924
16 HE2 GLU 2 HE2 GLU 2 -13.960 1.896 -6.525
17 H VAL 3 H VAL 3 -13.423 3.079 -0.451
18 HA VAL 3 HA VAL 3 -10.681 4.131 -0.847
19 HB VAL 3 HB VAL 3 -12.642 4.614 1.481
20 HG11 VAL 3 3HG2 VAL 3 -11.309 6.677 1.951
21 HG12 VAL 3 1HG2 VAL 3 -10.317 5.221 2.138
22 HG13 VAL 3 2HG2 VAL 3 -10.138 6.227 0.677
23 HG21 VAL 3 1HG1 VAL 3 -13.662 5.440 -0.640
24 HG22 VAL 3 2HG1 VAL 3 -13.190 6.801 0.387
25 HG23 VAL 3 3HG1 VAL 3 -12.188 6.363 -1.025
26 H SER 4 H SER 4 -12.165 2.362 1.852
27 HA SER 4 HA SER 4 -9.840 1.636 3.296
28 HB2 SER 4 2HB SER 4 -11.027 -0.199 4.356
29 HB3 SER 4 1HB SER 4 -12.062 1.213 4.190
30 HG SER 4 HG SER 4 -13.098 -0.709 3.620
31 H GLU 5 H GLU 5 -11.233 -0.576 0.842
32 HA GLU 5 HA GLU 5 -9.158 -2.469 0.745
33 HB2 GLU 5 2HB GLU 5 -9.918 -3.279 -1.399
34 HB3 GLU 5 1HB GLU 5 -11.225 -2.977 -0.290
35 HG2 GLU 5 1HG GLU 5 -11.560 -0.718 -1.609
36 HG3 GLU 5 2HG GLU 5 -10.429 -1.360 -2.801
37 HE2 GLU 5 HE2 GLU 5 -12.631 -3.643 -4.166
38 H ARG 6 H ARG 6 -9.212 0.434 -1.328
39 HA ARG 6 HA ARG 6 -6.653 -0.217 -2.647
40 HB2 ARG 6 1HB ARG 6 -8.548 1.368 -3.575
41 HB3 ARG 6 2HB ARG 6 -7.956 2.596 -2.458
42 HG2 ARG 6 2HG ARG 6 -5.626 2.334 -3.611
43 HG3 ARG 6 1HG ARG 6 -6.411 1.295 -4.812
44 HD2 ARG 6 1HD ARG 6 -7.939 3.200 -5.462
45 HD3 ARG 6 2HD ARG 6 -7.206 4.245 -4.255
46 HH11 ARG 6 1HH1 ARG 6 -5.204 4.793 -3.716
47 HH12 ARG 6 2HH1 ARG 6 -3.681 5.538 -4.417
48 HH21 ARG 6 2HH2 ARG 6 -4.286 4.347 -7.590
49 HH22 ARG 6 1HH2 ARG 6 -3.199 5.301 -6.460
50 H VAL 7 H VAL 7 -7.300 2.113 0.081
51 HA VAL 7 HA VAL 7 -4.687 2.999 0.524
52 HB VAL 7 HB VAL 7 -6.908 2.441 2.554
53 HG11 VAL 7 3HG2 VAL 7 -4.307 4.003 3.108
54 HG12 VAL 7 1HG2 VAL 7 -5.749 3.973 4.163
55 HG13 VAL 7 2HG2 VAL 7 -4.820 2.490 3.896
56 HG21 VAL 7 1HG1 VAL 7 -7.292 4.891 2.444
57 HG22 VAL 7 2HG1 VAL 7 -5.891 5.119 1.365
58 HG23 VAL 7 3HG1 VAL 7 -7.331 4.261 0.791
59 H HIS 8 H HIS 8 -6.010 -0.047 2.032
60 HA HIS 8 HA HIS 8 -3.773 -1.052 3.284
61 HB2 HIS 8 2HB HIS 8 -6.278 -1.980 2.960
62 HB3 HIS 8 1HB HIS 8 -5.585 -2.950 1.688
63 HD2 HIS 8 HD2 HIS 8 -2.937 -4.028 2.720
64 HE1 HIS 8 HE1 HIS 8 -4.836 -5.190 6.246
65 HE2 HIS 8 HE2 HIS 8 -2.720 -5.633 4.846
66 H VAL 9 H VAL 9 -4.635 -1.736 -0.158
67 HA VAL 9 HA VAL 9 -2.240 -3.353 -0.668
68 HB VAL 9 HB VAL 9 -2.888 -3.600 -2.890
69 HG11 VAL 9 3HG2 VAL 9 -5.135 -4.569 -2.782
70 HG12 VAL 9 1HG2 VAL 9 -5.511 -3.634 -1.321
71 HG13 VAL 9 2HG2 VAL 9 -4.258 -4.894 -1.269
72 HG21 VAL 9 1HG1 VAL 9 -4.953 -1.374 -2.696
73 HG22 VAL 9 2HG1 VAL 9 -4.801 -2.494 -4.070
74 HG23 VAL 9 3HG1 VAL 9 -3.492 -1.357 -3.707
75 H TYR 10 H TYR 10 -2.828 0.130 -1.067
76 HA TYR 10 HA TYR 10 -0.427 0.633 -2.737
77 HB2 TYR 10 2HB TYR 10 -2.572 2.167 -2.506
78 HB3 TYR 10 1HB TYR 10 -1.934 2.673 -0.952
79 HD1 TYR 10 HD2 TYR 10 0.164 4.105 -0.870
80 HD2 TYR 10 HD1 TYR 10 -1.502 2.859 -4.638
81 HE1 TYR 10 HE2 TYR 10 1.539 5.772 -2.037
82 HE2 TYR 10 HE1 TYR 10 -0.130 4.537 -5.791
83 HH TYR 10 HH TYR 10 2.089 6.673 -3.991
84 H HIS 11 H HIS 11 -1.040 0.803 0.816
85 HA HIS 11 HA HIS 11 1.644 1.782 1.526
86 HB2 HIS 11 1HB HIS 11 -0.652 0.519 3.127
87 HB3 HIS 11 2HB HIS 11 0.916 0.636 3.870
88 HD2 HIS 11 HD2 HIS 11 -1.547 3.142 2.026
89 HE1 HIS 11 HE1 HIS 11 0.377 5.233 5.062
90 HE2 HIS 11 HE2 HIS 11 -1.431 5.488 3.250
91 H ILE 12 H ILE 12 0.475 -1.522 0.955
92 HA ILE 12 HA ILE 12 2.801 -2.919 2.112
93 HB ILE 12 HB ILE 12 0.781 -3.858 -0.009
94 HG12 ILE 12 1HG1 ILE 12 0.995 -4.670 2.966
95 HG13 ILE 12 2HG1 ILE 12 -0.079 -3.394 2.392
96 HG21 ILE 12 1HG2 ILE 12 2.892 -5.195 -0.269
97 HG22 ILE 12 2HG2 ILE 12 1.597 -6.195 0.379
98 HG23 ILE 12 3HG2 ILE 12 2.872 -5.593 1.468
99 HD11 ILE 12 3HD1 ILE 12 -1.340 -5.017 0.949
100 HD12 ILE 12 1HD1 ILE 12 -1.352 -5.473 2.670
101 HD13 ILE 12 2HD1 ILE 12 -0.310 -6.348 1.541
102 H LEU 13 H LEU 13 2.081 -1.898 -1.296
103 HA LEU 13 HA LEU 13 4.758 -2.649 -2.302
104 HB2 LEU 13 2HB LEU 13 2.493 -0.941 -3.505
105 HB3 LEU 13 1HB LEU 13 4.035 -1.043 -4.307
106 HG LEU 13 HG LEU 13 2.511 -2.510 -5.362
107 HD11 LEU 13 1HD1 LEU 13 4.580 -4.274 -3.918
108 HD12 LEU 13 2HD1 LEU 13 3.799 -4.597 -5.484
109 HD13 LEU 13 3HD1 LEU 13 4.910 -3.223 -5.319
110 HD21 LEU 13 3HD2 LEU 13 1.446 -4.505 -4.403
111 HD22 LEU 13 1HD2 LEU 13 0.933 -3.057 -3.519
112 HD23 LEU 13 2HD2 LEU 13 2.128 -4.163 -2.796
113 H LYS 14 H LYS 14 3.403 0.601 -1.323
114 HA LYS 14 HA LYS 14 5.644 2.187 -1.843
115 HB2 LYS 14 1HB LYS 14 3.349 2.878 -1.063
116 HB3 LYS 14 2HB LYS 14 3.809 2.555 0.592
117 HG2 LYS 14 2HG LYS 14 5.281 4.550 -1.269
118 HG3 LYS 14 1HG LYS 14 3.857 4.977 -0.340
119 HD2 LYS 14 2HD LYS 14 5.047 4.414 1.811
120 HD3 LYS 14 1HD LYS 14 6.522 4.067 0.930
121 HE2 LYS 14 2HE LYS 14 5.096 6.810 0.928
122 HE3 LYS 14 1HE LYS 14 6.435 6.368 1.983
123 HZ1 LYS 14 2HZ LYS 14 6.557 6.479 -0.976
124 HZ3 LYS 14 1HZ LYS 14 7.176 7.586 0.056
125 H HIS 15 H HIS 15 5.180 0.311 1.126
126 HA HIS 15 HA HIS 15 7.611 1.224 2.549
127 HB2 HIS 15 1HB HIS 15 5.624 0.311 3.744
128 HB3 HIS 15 2HB HIS 15 5.864 -1.265 3.006
129 HD2 HIS 15 HD2 HIS 15 7.953 -2.781 3.931
130 HE1 HIS 15 HE1 HIS 15 8.782 -0.466 7.293
131 HE2 HIS 15 HE2 HIS 15 9.278 -2.760 6.238
132 H ILE 16 H ILE 16 7.028 -1.526 0.396
133 HA ILE 16 HA ILE 16 9.635 -2.838 0.865
134 HB ILE 16 HB ILE 16 7.747 -3.279 -1.512
135 HG12 ILE 16 1HG1 ILE 16 8.074 -5.060 1.001
136 HG13 ILE 16 2HG1 ILE 16 6.826 -3.824 0.924
137 HG21 ILE 16 1HG2 ILE 16 10.109 -5.009 -0.512
138 HG22 ILE 16 2HG2 ILE 16 10.052 -4.095 -2.036
139 HG23 ILE 16 3HG2 ILE 16 8.969 -5.468 -1.802
140 HD11 ILE 16 3HD1 ILE 16 5.804 -5.941 0.326
141 HD12 ILE 16 1HD1 ILE 16 5.803 -4.904 -1.118
142 HD13 ILE 16 2HD1 ILE 16 6.976 -6.240 -0.975
143 H LYS 17 H LYS 17 8.537 -0.752 -1.921
144 HA LYS 17 HA LYS 17 11.251 -0.653 -3.079
145 HB2 LYS 17 2HB LYS 17 10.444 0.894 -4.719
146 HB3 LYS 17 1HB LYS 17 9.358 -0.464 -4.550
147 HG2 LYS 17 2HG LYS 17 7.752 1.004 -3.215
148 HG3 LYS 17 1HG LYS 17 8.841 2.370 -3.429
149 HD2 LYS 17 2HD LYS 17 8.617 2.221 -5.911
150 HD3 LYS 17 1HD LYS 17 7.584 0.807 -5.788
151 HE2 LYS 17 1HE LYS 17 6.853 3.574 -4.591
152 HE3 LYS 17 2HE LYS 17 6.413 3.059 -6.217
153 HZ1 LYS 17 2HZ LYS 17 5.197 1.194 -5.262
154 HZ3 LYS 17 1HZ LYS 17 5.591 1.653 -3.743
155 H ASP 18 H ASP 18 9.548 1.645 -0.932
156 HA ASP 18 HA ASP 18 11.624 3.730 -1.092
157 HB2 ASP 18 2HB ASP 18 9.205 4.122 -0.443
158 HB3 ASP 18 1HB ASP 18 9.488 3.328 1.095
159 HD2 ASP 18 HD2 ASP 18 10.597 4.319 2.563
160 H GLY 19 H GLY 19 10.992 1.230 1.444
161 HA2 GLY 19 2HA GLY 19 13.340 1.897 3.105
162 HA3 GLY 19 1HA GLY 19 12.375 0.441 3.229
163 H LYS 20 H LYS 20 12.734 -1.142 1.285
164 HA LYS 20 HA LYS 20 15.684 -1.737 1.164
165 HB2 LYS 20 1HB LYS 20 13.199 -3.364 0.331
166 HB3 LYS 20 2HB LYS 20 14.809 -3.844 -0.182
167 HG2 LYS 20 1HG LYS 20 14.390 -5.150 1.692
168 HG3 LYS 20 2HG LYS 20 15.580 -3.973 2.220
169 HD2 LYS 20 1HD LYS 20 13.786 -2.664 3.400
170 HD3 LYS 20 2HD LYS 20 12.541 -3.751 2.804
171 HE2 LYS 20 1HE LYS 20 14.877 -4.593 4.666
172 HE3 LYS 20 2HE LYS 20 13.277 -4.114 5.226
173 HZ1 LYS 20 2HZ LYS 20 13.502 -6.496 5.083
174 HZ3 LYS 20 1HZ LYS 20 13.851 -6.444 3.486
175 HN1 NH2 21 2HN NH2 21 14.432 -0.989 -2.733
176 HN2 NH2 21 1HN NH2 21 13.258 -1.799 -1.578
Start of MODEL 6
1 H1 ACE 1 3HA ACE 1 -17.734 -1.602 -1.163
2 H2 ACE 1 1HA ACE 1 -16.161 -1.739 -2.012
3 H3 ACE 1 2HA ACE 1 -17.262 -3.140 -1.936
4 H ASN 1 H ASN 1 -15.235 -2.323 1.612
5 HA ASN 1 HA ASN 1 -16.500 -0.035 0.108
6 HB2 ASN 1 1HB ASN 1 -14.672 -0.039 2.585
7 HB3 ASN 1 2HB ASN 1 -15.280 1.413 1.831
8 HD21 ASN 1 1HD2 ASN 1 -17.575 1.856 1.927
9 HD22 ASN 1 2HD2 ASN 1 -18.597 1.057 3.225
10 H GLU 2 H GLU 2 -15.539 0.785 -1.641
11 HA GLU 2 HA GLU 2 -13.096 0.232 -2.745
12 HB2 GLU 2 2HB GLU 2 -14.826 2.778 -2.992
13 HB3 GLU 2 1HB GLU 2 -13.470 2.495 -4.045
14 HG2 GLU 2 2HG GLU 2 -14.519 0.322 -4.863
15 HG3 GLU 2 1HG GLU 2 -15.920 0.623 -3.842
16 HE2 GLU 2 HE2 GLU 2 -17.297 3.101 -5.820
17 H VAL 3 H VAL 3 -13.511 2.912 -0.450
18 HA VAL 3 HA VAL 3 -10.817 4.062 -0.878
19 HB VAL 3 HB VAL 3 -12.769 4.481 1.470
20 HG11 VAL 3 3HG2 VAL 3 -10.468 5.183 2.107
21 HG12 VAL 3 1HG2 VAL 3 -10.333 6.180 0.636
22 HG13 VAL 3 2HG2 VAL 3 -11.513 6.601 1.912
23 HG21 VAL 3 1HG1 VAL 3 -13.838 5.254 -0.648
24 HG22 VAL 3 2HG1 VAL 3 -12.405 6.232 -1.050
25 HG23 VAL 3 3HG1 VAL 3 -13.413 6.638 0.368
26 H SER 4 H SER 4 -12.201 2.243 1.834
27 HA SER 4 HA SER 4 -9.869 1.601 3.301
28 HB2 SER 4 2HB SER 4 -12.252 -0.305 2.931
29 HB3 SER 4 1HB SER 4 -11.028 -0.425 4.197
30 HG SER 4 HG SER 4 -11.607 1.676 4.866
31 H GLU 5 H GLU 5 -11.168 -0.660 0.837
32 HA GLU 5 HA GLU 5 -9.022 -2.473 0.741
33 HB2 GLU 5 2HB GLU 5 -9.764 -3.331 -1.388
34 HB3 GLU 5 1HB GLU 5 -11.075 -3.067 -0.275
35 HG2 GLU 5 2HG GLU 5 -11.496 -0.833 -1.615
36 HG3 GLU 5 1HG GLU 5 -10.353 -1.451 -2.808
37 HE2 GLU 5 HE2 GLU 5 -12.494 -3.805 -4.142
38 H ARG 6 H ARG 6 -9.201 0.399 -1.359
39 HA ARG 6 HA ARG 6 -6.628 -0.170 -2.693
40 HB2 ARG 6 2HB ARG 6 -8.609 1.273 -3.643
41 HB3 ARG 6 1HB ARG 6 -8.118 2.561 -2.547
42 HG2 ARG 6 1HG ARG 6 -5.838 2.624 -3.698
43 HG3 ARG 6 2HG ARG 6 -6.393 1.375 -4.830
44 HD2 ARG 6 1HD ARG 6 -8.256 2.911 -5.611
45 HD3 ARG 6 2HD ARG 6 -7.699 4.161 -4.485
46 HH11 ARG 6 2HH2 ARG 6 -8.529 5.095 -6.489
47 HH12 ARG 6 1HH2 ARG 6 -7.856 6.066 -7.894
48 HH21 ARG 6 2HH1 ARG 6 -4.768 4.546 -7.756
49 HH22 ARG 6 1HH1 ARG 6 -5.869 5.774 -8.561
50 H VAL 7 H VAL 7 -7.328 2.225 -0.031
51 HA VAL 7 HA VAL 7 -4.720 3.161 0.357
52 HB VAL 7 HB VAL 7 -6.909 2.682 2.443
53 HG11 VAL 7 1HG1 VAL 7 -5.747 4.343 3.919
54 HG12 VAL 7 2HG1 VAL 7 -4.787 2.870 3.722
55 HG13 VAL 7 3HG1 VAL 7 -4.336 4.340 2.824
56 HG21 VAL 7 3HG2 VAL 7 -5.998 5.290 1.036
57 HG22 VAL 7 1HG2 VAL 7 -7.444 4.364 0.596
58 HG23 VAL 7 2HG2 VAL 7 -7.345 5.121 2.192
59 H HIS 8 H HIS 8 -6.036 0.177 1.995
60 HA HIS 8 HA HIS 8 -3.812 -0.765 3.315
61 HB2 HIS 8 1HB HIS 8 -6.309 -1.715 2.995
62 HB3 HIS 8 2HB HIS 8 -5.590 -2.739 1.779
63 HD2 HIS 8 HD2 HIS 8 -2.981 -3.777 2.873
64 HE1 HIS 8 HE1 HIS 8 -4.876 -4.732 6.463
65 HE2 HIS 8 HE2 HIS 8 -2.766 -5.266 5.086
66 H VAL 9 H VAL 9 -4.624 -1.573 -0.115
67 HA VAL 9 HA VAL 9 -2.222 -3.214 -0.526
68 HB VAL 9 HB VAL 9 -2.842 -3.541 -2.748
69 HG11 VAL 9 3HG2 VAL 9 -5.489 -3.521 -1.217
70 HG12 VAL 9 1HG2 VAL 9 -4.231 -4.774 -1.094
71 HG13 VAL 9 2HG2 VAL 9 -5.083 -4.513 -2.634
72 HG21 VAL 9 1HG1 VAL 9 -4.910 -1.310 -2.659
73 HG22 VAL 9 2HG1 VAL 9 -4.740 -2.478 -3.990
74 HG23 VAL 9 3HG1 VAL 9 -3.436 -1.328 -3.651
75 H TYR 10 H TYR 10 -2.815 0.235 -1.043
76 HA TYR 10 HA TYR 10 -0.387 0.717 -2.687
77 HB2 TYR 10 1HB TYR 10 -2.516 2.258 -2.574
78 HB3 TYR 10 2HB TYR 10 -1.974 2.768 -0.983
79 HD1 TYR 10 HD1 TYR 10 -0.811 2.581 -4.595
80 HD2 TYR 10 HD2 TYR 10 -0.451 4.629 -0.825
81 HE1 TYR 10 HE1 TYR 10 0.577 4.310 -5.656
82 HE2 TYR 10 HE2 TYR 10 0.922 6.355 -1.902
83 HH TYR 10 HH TYR 10 1.728 6.188 -5.371
84 H HIS 11 H HIS 11 -1.029 0.897 0.843
85 HA HIS 11 HA HIS 11 1.638 1.962 1.553
86 HB2 HIS 11 1HB HIS 11 -0.667 0.734 3.171
87 HB3 HIS 11 2HB HIS 11 0.882 0.925 3.931
88 HD2 HIS 11 HD2 HIS 11 -1.593 3.287 1.910
89 HE1 HIS 11 HE1 HIS 11 0.163 5.546 4.927
90 HE2 HIS 11 HE2 HIS 11 -1.585 5.680 3.045
91 H ILE 12 H ILE 12 0.451 -1.379 1.155
92 HA ILE 12 HA ILE 12 2.782 -2.712 2.367
93 HB ILE 12 HB ILE 12 0.772 -3.765 0.294
94 HG12 ILE 12 2HG1 ILE 12 0.988 -4.447 3.301
95 HG13 ILE 12 1HG1 ILE 12 -0.081 -3.189 2.679
96 HG21 ILE 12 1HG2 ILE 12 2.878 -5.412 1.852
97 HG22 ILE 12 2HG2 ILE 12 2.880 -5.112 0.096
98 HG23 ILE 12 3HG2 ILE 12 1.598 -6.083 0.809
99 HD11 ILE 12 3HD1 ILE 12 -0.321 -6.176 1.944
100 HD12 ILE 12 1HD1 ILE 12 -1.362 -5.256 3.038
101 HD13 ILE 12 2HD1 ILE 12 -1.349 -4.867 1.300
102 H LEU 13 H LEU 13 2.068 -1.853 -1.079
103 HA LEU 13 HA LEU 13 4.722 -2.692 -2.063
104 HB2 LEU 13 2HB LEU 13 2.479 -1.011 -3.343
105 HB3 LEU 13 1HB LEU 13 4.045 -1.136 -4.111
106 HG LEU 13 HG LEU 13 3.865 -3.662 -4.135
107 HD11 LEU 13 3HD2 LEU 13 0.898 -3.188 -3.398
108 HD12 LEU 13 1HD2 LEU 13 2.085 -4.099 -2.429
109 HD13 LEU 13 2HD2 LEU 13 1.583 -4.713 -4.008
110 HD21 LEU 13 1HD1 LEU 13 3.437 -2.253 -6.151
111 HD22 LEU 13 2HD1 LEU 13 1.720 -2.091 -5.707
112 HD23 LEU 13 3HD1 LEU 13 2.389 -3.682 -6.150
113 H LYS 14 H LYS 14 3.456 0.651 -1.210
114 HA LYS 14 HA LYS 14 5.776 2.108 -1.768
115 HB2 LYS 14 1HB LYS 14 3.701 2.519 0.424
116 HB3 LYS 14 2HB LYS 14 5.012 3.649 0.257
117 HG2 LYS 14 2HG LYS 14 3.261 3.031 -2.198
118 HG3 LYS 14 1HG LYS 14 2.702 4.076 -0.915
119 HD2 LYS 14 2HD LYS 14 3.574 5.530 -2.544
120 HD3 LYS 14 1HD LYS 14 4.692 5.594 -1.194
121 HE2 LYS 14 2HE LYS 14 6.315 4.109 -2.459
122 HE3 LYS 14 1HE LYS 14 5.148 3.951 -3.784
123 HZ1 LYS 14 2HZ LYS 14 6.818 5.629 -4.206
124 HZ3 LYS 14 1HZ LYS 14 6.417 6.470 -2.863
125 H HIS 15 H HIS 15 5.257 0.313 1.237
126 HA HIS 15 HA HIS 15 7.669 1.287 2.664
127 HB2 HIS 15 2HB HIS 15 5.660 0.415 3.864
128 HB3 HIS 15 1HB HIS 15 5.923 -1.188 3.198
129 HD2 HIS 15 HD2 HIS 15 7.996 -2.645 4.220
130 HE1 HIS 15 HE1 HIS 15 8.829 -0.149 7.448
131 HE2 HIS 15 HE2 HIS 15 9.327 -2.497 6.521
132 H ILE 16 H ILE 16 7.055 -1.588 0.688
133 HA ILE 16 HA ILE 16 9.715 -2.817 1.114
134 HB ILE 16 HB ILE 16 7.712 -3.458 -1.122
135 HG12 ILE 16 2HG1 ILE 16 8.198 -5.049 1.488
136 HG13 ILE 16 1HG1 ILE 16 6.927 -3.836 1.393
137 HG21 ILE 16 1HG2 ILE 16 8.954 -5.637 -1.330
138 HG22 ILE 16 2HG2 ILE 16 10.005 -4.269 -1.702
139 HG23 ILE 16 3HG2 ILE 16 10.147 -5.083 -0.127
140 HD11 ILE 16 3HD1 ILE 16 5.914 -6.011 0.999
141 HD12 ILE 16 1HD1 ILE 16 5.813 -5.071 -0.507
142 HD13 ILE 16 2HD1 ILE 16 7.019 -6.376 -0.343
143 H LYS 17 H LYS 17 8.400 -0.934 -1.710
144 HA LYS 17 HA LYS 17 10.955 -0.931 -3.148
145 HB2 LYS 17 2HB LYS 17 9.965 0.495 -4.776
146 HB3 LYS 17 1HB LYS 17 8.818 -0.738 -4.318
147 HG2 LYS 17 1HG LYS 17 7.755 1.099 -2.740
148 HG3 LYS 17 2HG LYS 17 8.733 2.263 -3.601
149 HD2 LYS 17 1HD LYS 17 6.692 0.368 -4.968
150 HD3 LYS 17 2HD LYS 17 6.310 1.954 -4.353
151 HE2 LYS 17 1HE LYS 17 6.594 2.325 -6.660
152 HE3 LYS 17 2HE LYS 17 8.054 2.992 -5.938
153 HZ1 LYS 17 2HZ LYS 17 8.556 1.696 -7.875
154 HZ3 LYS 17 1HZ LYS 17 9.221 0.965 -6.573
155 H ASP 18 H ASP 18 9.527 1.591 -1.039
156 HA ASP 18 HA ASP 18 11.717 3.532 -1.513
157 HB2 ASP 18 1HB ASP 18 9.652 3.513 0.764
158 HB3 ASP 18 2HB ASP 18 10.763 4.822 0.415
159 HD2 ASP 18 HD2 ASP 18 8.040 4.761 0.546
160 H GLY 19 H GLY 19 11.057 1.306 1.249
161 HA2 GLY 19 2HA GLY 19 13.452 2.047 2.805
162 HA3 GLY 19 1HA GLY 19 12.462 0.625 3.062
163 H LYS 20 H LYS 20 12.758 -1.123 1.264
164 HA LYS 20 HA LYS 20 15.691 -1.774 1.125
165 HB2 LYS 20 1HB LYS 20 13.181 -3.406 0.370
166 HB3 LYS 20 2HB LYS 20 14.808 -4.001 0.042
167 HG2 LYS 20 1HG LYS 20 15.383 -3.847 2.495
168 HG3 LYS 20 2HG LYS 20 13.752 -3.273 2.849
169 HD2 LYS 20 2HD LYS 20 12.787 -5.404 1.899
170 HD3 LYS 20 1HD LYS 20 14.399 -6.009 1.550
171 HE2 LYS 20 2HE LYS 20 13.358 -5.313 4.389
172 HE3 LYS 20 1HE LYS 20 13.322 -6.923 3.675
173 HZ1 LYS 20 2HZ LYS 20 15.795 -5.362 4.157
174 HZ3 LYS 20 1HZ LYS 20 15.740 -6.857 3.496
175 HN1 NH2 21 2HN NH2 21 14.371 -1.291 -2.793
176 HN2 NH2 21 1HN NH2 21 13.188 -1.938 -1.548
Start of MODEL 7
1 H1 ACE 1 3HA ACE 1 -15.065 -0.767 4.238
2 H2 ACE 1 1HA ACE 1 -15.319 0.857 3.554
3 H3 ACE 1 2HA ACE 1 -16.715 -0.217 3.867
4 H ASN 1 H ASN 1 -16.985 0.489 1.528
5 HA ASN 1 HA ASN 1 -16.045 -1.743 -0.288
6 HB2 ASN 1 2HB ASN 1 -18.488 -1.139 -0.072
7 HB3 ASN 1 1HB ASN 1 -18.173 0.425 -0.803
8 HD21 ASN 1 1HD2 ASN 1 -18.118 0.487 -3.060
9 HD22 ASN 1 2HD2 ASN 1 -18.301 -1.001 -4.118
10 H GLU 2 H GLU 2 -14.824 -1.349 -2.051
11 HA GLU 2 HA GLU 2 -12.902 -0.678 -3.082
12 HB2 GLU 2 1HB GLU 2 -15.035 0.350 -4.199
13 HB3 GLU 2 2HB GLU 2 -14.568 1.879 -3.491
14 HG2 GLU 2 2HG GLU 2 -12.378 1.821 -4.794
15 HG3 GLU 2 1HG GLU 2 -12.816 0.254 -5.466
16 HE2 GLU 2 HE2 GLU 2 -15.080 1.480 -7.775
17 H VAL 3 H VAL 3 -13.592 1.694 -0.623
18 HA VAL 3 HA VAL 3 -10.987 3.103 -0.870
19 HB VAL 3 HB VAL 3 -13.047 3.181 1.420
20 HG11 VAL 3 1HG1 VAL 3 -10.829 4.004 2.195
21 HG12 VAL 3 2HG1 VAL 3 -11.982 5.345 2.080
22 HG13 VAL 3 3HG1 VAL 3 -10.734 5.130 0.817
23 HG21 VAL 3 3HG2 VAL 3 -13.825 5.367 0.473
24 HG22 VAL 3 1HG2 VAL 3 -14.111 4.042 -0.663
25 HG23 VAL 3 2HG2 VAL 3 -12.748 5.155 -0.937
26 H SER 4 H SER 4 -12.311 0.987 1.658
27 HA SER 4 HA SER 4 -9.959 0.453 3.146
28 HB2 SER 4 2HB SER 4 -12.166 -1.614 2.625
29 HB3 SER 4 1HB SER 4 -10.937 -1.726 3.886
30 HG SER 4 HG SER 4 -12.850 -0.801 4.625
31 H GLU 5 H GLU 5 -11.014 -1.747 0.515
32 HA GLU 5 HA GLU 5 -8.715 -3.342 0.328
33 HB2 GLU 5 1HB GLU 5 -9.344 -4.027 -1.935
34 HB3 GLU 5 2HB GLU 5 -10.643 -4.077 -0.766
35 HG2 GLU 5 2HG GLU 5 -11.580 -1.918 -1.721
36 HG3 GLU 5 1HG GLU 5 -10.294 -1.904 -2.938
37 HE2 GLU 5 HE2 GLU 5 -13.086 -3.365 -1.808
38 H ARG 6 H ARG 6 -9.122 -0.341 -1.573
39 HA ARG 6 HA ARG 6 -6.471 -0.597 -2.864
40 HB2 ARG 6 1HB ARG 6 -8.529 0.791 -3.767
41 HB3 ARG 6 2HB ARG 6 -8.113 2.021 -2.576
42 HG2 ARG 6 1HG ARG 6 -5.733 2.071 -3.672
43 HG3 ARG 6 2HG ARG 6 -6.386 1.040 -4.955
44 HD2 ARG 6 1HD ARG 6 -8.072 2.823 -5.539
45 HD3 ARG 6 2HD ARG 6 -7.501 3.848 -4.231
46 HH11 ARG 6 2HH1 ARG 6 -5.584 4.552 -3.562
47 HH12 ARG 6 1HH1 ARG 6 -4.126 5.504 -4.141
48 HH21 ARG 6 2HH2 ARG 6 -4.492 4.513 -7.416
49 HH22 ARG 6 1HH2 ARG 6 -3.552 5.482 -6.173
50 H VAL 7 H VAL 7 -7.456 1.510 -0.043
51 HA VAL 7 HA VAL 7 -4.984 2.691 0.485
52 HB VAL 7 HB VAL 7 -7.122 1.752 2.462
53 HG11 VAL 7 1HG1 VAL 7 -4.743 3.609 3.109
54 HG12 VAL 7 2HG1 VAL 7 -6.178 3.359 4.145
55 HG13 VAL 7 3HG1 VAL 7 -5.072 2.014 3.830
56 HG21 VAL 7 3HG2 VAL 7 -6.465 4.593 1.404
57 HG22 VAL 7 1HG2 VAL 7 -7.825 4.135 2.461
58 HG23 VAL 7 2HG2 VAL 7 -7.778 3.582 0.781
59 H HIS 8 H HIS 8 -5.914 -0.573 1.813
60 HA HIS 8 HA HIS 8 -3.579 -1.342 3.056
61 HB2 HIS 8 2HB HIS 8 -5.930 -2.580 2.635
62 HB3 HIS 8 1HB HIS 8 -5.097 -3.376 1.326
63 HD2 HIS 8 HD2 HIS 8 -2.336 -4.129 2.352
64 HE1 HIS 8 HE1 HIS 8 -4.095 -5.742 5.771
65 HE2 HIS 8 HE2 HIS 8 -1.920 -5.804 4.393
66 H VAL 9 H VAL 9 -4.302 -1.974 -0.428
67 HA VAL 9 HA VAL 9 -1.696 -3.195 -0.986
68 HB VAL 9 HB VAL 9 -2.287 -3.396 -3.232
69 HG11 VAL 9 1HG1 VAL 9 -4.886 -3.906 -1.700
70 HG12 VAL 9 2HG1 VAL 9 -4.374 -4.682 -3.214
71 HG13 VAL 9 3HG1 VAL 9 -3.463 -4.974 -1.714
72 HG21 VAL 9 3HG2 VAL 9 -4.729 -1.574 -2.961
73 HG22 VAL 9 1HG2 VAL 9 -4.267 -2.504 -4.407
74 HG23 VAL 9 2HG2 VAL 9 -3.244 -1.172 -3.857
75 H TYR 10 H TYR 10 -2.758 0.163 -1.189
76 HA TYR 10 HA TYR 10 -0.468 1.134 -2.801
77 HB2 TYR 10 2HB TYR 10 -2.854 2.249 -2.472
78 HB3 TYR 10 1HB TYR 10 -2.273 2.790 -0.908
79 HD1 TYR 10 HD1 TYR 10 -1.242 2.803 -4.583
80 HD2 TYR 10 HD2 TYR 10 -1.380 5.011 -0.892
81 HE1 TYR 10 HE1 TYR 10 -0.415 4.805 -5.741
82 HE2 TYR 10 HE2 TYR 10 -0.546 7.002 -2.060
83 HH TYR 10 HH TYR 10 0.109 7.870 -3.996
84 H HIS 11 H HIS 11 -1.092 0.993 0.744
85 HA HIS 11 HA HIS 11 1.412 2.295 1.566
86 HB2 HIS 11 1HB HIS 11 -0.684 0.623 3.036
87 HB3 HIS 11 2HB HIS 11 0.851 0.893 3.809
88 HD2 HIS 11 HD2 HIS 11 -1.957 3.115 2.143
89 HE1 HIS 11 HE1 HIS 11 -0.195 5.372 5.158
90 HE2 HIS 11 HE2 HIS 11 -2.110 5.423 3.442
91 H ILE 12 H ILE 12 0.702 -1.118 0.813
92 HA ILE 12 HA ILE 12 3.162 -2.304 1.874
93 HB ILE 12 HB ILE 12 1.272 -3.240 -0.360
94 HG12 ILE 12 2HG1 ILE 12 1.662 -4.372 2.493
95 HG13 ILE 12 1HG1 ILE 12 0.441 -3.161 2.102
96 HG21 ILE 12 1HG2 ILE 12 3.594 -4.877 0.857
97 HG22 ILE 12 2HG2 ILE 12 3.479 -4.300 -0.826
98 HG23 ILE 12 3HG2 ILE 12 2.345 -5.511 -0.244
99 HD11 ILE 12 3HD1 ILE 12 -0.678 -4.745 0.489
100 HD12 ILE 12 1HD1 ILE 12 0.503 -6.010 0.919
101 HD13 ILE 12 2HD1 ILE 12 -0.601 -5.382 2.150
102 H LEU 13 H LEU 13 2.453 -0.948 -1.392
103 HA LEU 13 HA LEU 13 5.144 -1.380 -2.488
104 HB2 LEU 13 1HB LEU 13 2.800 0.421 -3.346
105 HB3 LEU 13 2HB LEU 13 4.364 0.634 -4.082
106 HG LEU 13 HG LEU 13 4.419 -1.802 -4.767
107 HD11 LEU 13 1HD1 LEU 13 2.687 -2.803 -3.245
108 HD12 LEU 13 2HD1 LEU 13 2.261 -3.066 -4.941
109 HD13 LEU 13 3HD1 LEU 13 1.422 -1.805 -4.007
110 HD21 LEU 13 3HD2 LEU 13 2.130 -0.079 -5.919
111 HD22 LEU 13 1HD2 LEU 13 2.936 -1.436 -6.743
112 HD23 LEU 13 2HD2 LEU 13 3.851 0.033 -6.362
113 H LYS 14 H LYS 14 3.789 1.519 -0.771
114 HA LYS 14 HA LYS 14 5.972 3.271 -0.963
115 HB2 LYS 14 1HB LYS 14 4.318 2.886 1.594
116 HB3 LYS 14 2HB LYS 14 5.347 4.263 1.243
117 HG2 LYS 14 1HG LYS 14 3.900 4.880 -0.725
118 HG3 LYS 14 2HG LYS 14 2.861 3.498 -0.384
119 HD2 LYS 14 2HD LYS 14 2.461 4.461 1.985
120 HD3 LYS 14 1HD LYS 14 3.368 5.894 1.488
121 HE2 LYS 14 2HE LYS 14 1.666 6.233 -0.423
122 HE3 LYS 14 1HE LYS 14 0.765 4.839 0.196
123 HZ1 LYS 14 2HZ LYS 14 0.511 6.022 2.303
124 HZ3 LYS 14 1HZ LYS 14 1.347 7.307 1.736
125 H HIS 15 H HIS 15 5.643 0.778 1.546
126 HA HIS 15 HA HIS 15 8.230 1.340 2.898
127 HB2 HIS 15 2HB HIS 15 6.261 0.385 4.102
128 HB3 HIS 15 1HB HIS 15 6.359 -1.085 3.148
129 HD2 HIS 15 HD2 HIS 15 8.352 -2.832 3.745
130 HE1 HIS 15 HE1 HIS 15 9.659 -0.974 7.236
131 HE2 HIS 15 HE2 HIS 15 9.872 -3.167 5.906
132 H ILE 16 H ILE 16 7.314 -1.010 0.408
133 HA ILE 16 HA ILE 16 9.945 -2.425 0.508
134 HB ILE 16 HB ILE 16 7.729 -2.758 -1.588
135 HG12 ILE 16 1HG1 ILE 16 8.457 -4.670 0.738
136 HG13 ILE 16 2HG1 ILE 16 7.194 -3.458 0.917
137 HG21 ILE 16 1HG2 ILE 16 10.215 -4.521 -1.084
138 HG22 ILE 16 2HG2 ILE 16 9.949 -3.482 -2.502
139 HG23 ILE 16 3HG2 ILE 16 8.900 -4.873 -2.230
140 HD11 ILE 16 3HD1 ILE 16 6.125 -5.560 0.353
141 HD12 ILE 16 1HD1 ILE 16 7.110 -5.773 -1.109
142 HD13 ILE 16 2HD1 ILE 16 5.910 -4.455 -1.025
143 H LYS 17 H LYS 17 8.479 -0.247 -2.026
144 HA LYS 17 HA LYS 17 10.865 -0.125 -3.656
145 HB2 LYS 17 1HB LYS 17 8.576 0.421 -4.470
146 HB3 LYS 17 2HB LYS 17 8.497 1.837 -3.447
147 HG2 LYS 17 2HG LYS 17 8.856 2.434 -5.793
148 HG3 LYS 17 1HG LYS 17 10.152 3.040 -4.798
149 HD2 LYS 17 1HD LYS 17 11.118 2.216 -6.864
150 HD3 LYS 17 2HD LYS 17 11.657 1.174 -5.571
151 HE2 LYS 17 2HE LYS 17 11.159 -0.238 -7.466
152 HE3 LYS 17 1HE LYS 17 9.924 -0.578 -6.259
153 HZ1 LYS 17 2HZ LYS 17 9.614 1.175 -8.641
154 HZ3 LYS 17 1HZ LYS 17 9.015 -0.337 -8.477
155 H ASP 18 H ASP 18 9.727 2.356 -1.274
156 HA ASP 18 HA ASP 18 12.201 3.960 -1.536
157 HB2 ASP 18 2HB ASP 18 9.913 4.883 -0.879
158 HB3 ASP 18 1HB ASP 18 10.087 4.128 0.695
159 HD2 ASP 18 HD2 ASP 18 12.141 7.464 -0.341
160 H GLY 19 H GLY 19 11.082 1.665 1.020
161 HA2 GLY 19 2HA GLY 19 13.563 1.940 2.649
162 HA3 GLY 19 1HA GLY 19 12.260 0.817 2.936
163 H LYS 20 H LYS 20 12.191 -1.116 1.373
164 HA LYS 20 HA LYS 20 14.530 -2.003 0.019
165 HB2 LYS 20 1HB LYS 20 15.551 -2.102 2.453
166 HB3 LYS 20 2HB LYS 20 14.408 -3.393 2.790
167 HG2 LYS 20 2HG LYS 20 16.496 -4.414 2.302
168 HG3 LYS 20 1HG LYS 20 15.448 -4.793 0.946
169 HD2 LYS 20 2HD LYS 20 16.550 -2.963 -0.415
170 HD3 LYS 20 1HD LYS 20 17.580 -2.538 0.942
171 HE2 LYS 20 1HE LYS 20 17.575 -5.303 -0.467
172 HE3 LYS 20 2HE LYS 20 18.667 -3.980 -0.866
173 HZ1 LYS 20 2HZ LYS 20 19.574 -4.066 1.355
174 HZ3 LYS 20 1HZ LYS 20 19.721 -5.512 0.607
175 HN1 NH2 21 2HN NH2 21 11.511 -4.745 0.803
176 HN2 NH2 21 1HN NH2 21 12.214 -3.802 2.211
Start of MODEL 8
1 H1 ACE 1 3HA ACE 1 -15.558 -4.592 0.271
2 H2 ACE 1 1HA ACE 1 -17.028 -4.763 -0.719
3 H3 ACE 1 2HA ACE 1 -17.167 -4.280 0.988
4 H ASN 1 H ASN 1 -15.613 -2.321 1.446
5 HA ASN 1 HA ASN 1 -16.571 -0.031 -0.248
6 HB2 ASN 1 2HB ASN 1 -16.711 0.079 2.225
7 HB3 ASN 1 1HB ASN 1 -14.979 -0.073 2.381
8 HD21 ASN 1 1HD2 ASN 1 -17.550 2.068 1.183
9 HD22 ASN 1 2HD2 ASN 1 -16.551 3.601 1.327
10 H GLU 2 H GLU 2 -15.460 0.468 -1.977
11 HA GLU 2 HA GLU 2 -12.937 -0.251 -2.817
12 HB2 GLU 2 2HB GLU 2 -14.884 0.905 -4.151
13 HB3 GLU 2 1HB GLU 2 -14.230 2.436 -3.612
14 HG2 GLU 2 2HG GLU 2 -12.027 1.888 -4.806
15 HG3 GLU 2 1HG GLU 2 -12.702 0.343 -5.308
16 HE2 GLU 2 HE2 GLU 2 -13.713 3.807 -7.115
17 H VAL 3 H VAL 3 -13.470 2.634 -0.825
18 HA VAL 3 HA VAL 3 -10.770 3.773 -1.198
19 HB VAL 3 HB VAL 3 -12.829 4.361 1.017
20 HG11 VAL 3 3HG2 VAL 3 -11.623 6.530 1.319
21 HG12 VAL 3 1HG2 VAL 3 -10.557 5.156 1.662
22 HG13 VAL 3 2HG2 VAL 3 -10.397 6.030 0.117
23 HG21 VAL 3 1HG1 VAL 3 -12.407 5.885 -1.635
24 HG22 VAL 3 2HG1 VAL 3 -13.843 4.932 -1.186
25 HG23 VAL 3 3HG1 VAL 3 -13.460 6.407 -0.289
26 H SER 4 H SER 4 -12.271 2.153 1.578
27 HA SER 4 HA SER 4 -9.964 1.701 3.164
28 HB2 SER 4 2HB SER 4 -11.086 -0.092 4.349
29 HB3 SER 4 1HB SER 4 -12.193 1.234 4.015
30 HG SER 4 HG SER 4 -11.961 -1.180 2.534
31 H GLU 5 H GLU 5 -11.152 -0.803 0.897
32 HA GLU 5 HA GLU 5 -8.975 -2.582 1.044
33 HB2 GLU 5 2HB GLU 5 -9.651 -3.649 -1.019
34 HB3 GLU 5 1HB GLU 5 -10.983 -3.320 0.055
35 HG2 GLU 5 2HG GLU 5 -11.476 -1.239 -1.472
36 HG3 GLU 5 1HG GLU 5 -10.276 -1.891 -2.590
37 HE2 GLU 5 HE2 GLU 5 -13.204 -2.460 -0.970
38 H ARG 6 H ARG 6 -9.177 0.030 -1.361
39 HA ARG 6 HA ARG 6 -6.572 -0.617 -2.598
40 HB2 ARG 6 2HB ARG 6 -8.615 0.618 -3.699
41 HB3 ARG 6 1HB ARG 6 -8.160 2.059 -2.797
42 HG2 ARG 6 1HG ARG 6 -5.921 2.081 -3.971
43 HG3 ARG 6 2HG ARG 6 -6.377 0.657 -4.915
44 HD2 ARG 6 2HD ARG 6 -7.897 3.353 -4.949
45 HD3 ARG 6 1HD ARG 6 -6.648 2.897 -6.108
46 HH11 ARG 6 2HH1 ARG 6 -8.856 4.273 -6.616
47 HH12 ARG 6 1HH1 ARG 6 -10.242 4.038 -7.795
48 HH21 ARG 6 2HH2 ARG 6 -10.042 0.602 -7.694
49 HH22 ARG 6 1HH2 ARG 6 -10.866 2.099 -8.363
50 H VAL 7 H VAL 7 -7.364 2.080 -0.259
51 HA VAL 7 HA VAL 7 -4.781 3.118 0.002
52 HB VAL 7 HB VAL 7 -6.948 2.861 2.148
53 HG11 VAL 7 3HG2 VAL 7 -4.417 4.622 2.272
54 HG12 VAL 7 1HG2 VAL 7 -5.817 4.743 3.374
55 HG13 VAL 7 2HG2 VAL 7 -4.824 3.278 3.367
56 HG21 VAL 7 1HG1 VAL 7 -7.537 4.273 0.093
57 HG22 VAL 7 2HG1 VAL 7 -6.118 5.288 0.402
58 HG23 VAL 7 3HG1 VAL 7 -7.457 5.233 1.577
59 H HIS 8 H HIS 8 -6.035 0.312 1.968
60 HA HIS 8 HA HIS 8 -3.827 -0.401 3.449
61 HB2 HIS 8 1HB HIS 8 -6.290 -1.459 3.141
62 HB3 HIS 8 2HB HIS 8 -5.503 -2.568 2.051
63 HD2 HIS 8 HD2 HIS 8 -3.004 -3.564 3.259
64 HE1 HIS 8 HE1 HIS 8 -4.900 -4.067 6.939
65 HE2 HIS 8 HE2 HIS 8 -2.826 -4.826 5.615
66 H VAL 9 H VAL 9 -4.498 -1.581 0.107
67 HA VAL 9 HA VAL 9 -2.017 -3.150 -0.095
68 HB VAL 9 HB VAL 9 -2.569 -3.684 -2.305
69 HG11 VAL 9 3HG2 VAL 9 -4.748 -4.794 -2.118
70 HG12 VAL 9 1HG2 VAL 9 -5.211 -3.738 -0.769
71 HG13 VAL 9 2HG2 VAL 9 -3.872 -4.891 -0.573
72 HG21 VAL 9 1HG1 VAL 9 -4.446 -2.879 -3.677
73 HG22 VAL 9 2HG1 VAL 9 -3.349 -1.537 -3.326
74 HG23 VAL 9 3HG1 VAL 9 -4.880 -1.689 -2.428
75 H TYR 10 H TYR 10 -2.760 0.201 -0.967
76 HA TYR 10 HA TYR 10 -0.312 0.628 -2.591
77 HB2 TYR 10 1HB TYR 10 -2.538 2.038 -2.699
78 HB3 TYR 10 2HB TYR 10 -2.045 2.781 -1.187
79 HD1 TYR 10 HD2 TYR 10 -1.195 2.414 -4.817
80 HD2 TYR 10 HD1 TYR 10 -0.211 4.469 -1.165
81 HE1 TYR 10 HE2 TYR 10 0.151 4.035 -6.081
82 HE2 TYR 10 HE1 TYR 10 1.136 6.078 -2.441
83 HH TYR 10 HH TYR 10 1.448 5.835 -5.985
84 H HIS 11 H HIS 11 -1.083 1.159 0.884
85 HA HIS 11 HA HIS 11 1.475 2.505 1.528
86 HB2 HIS 11 1HB HIS 11 -0.786 1.286 3.224
87 HB3 HIS 11 2HB HIS 11 0.715 1.693 3.992
88 HD2 HIS 11 HD2 HIS 11 -1.689 3.685 1.506
89 HE1 HIS 11 HE1 HIS 11 -0.623 6.234 4.610
90 HE2 HIS 11 HE2 HIS 11 -2.047 6.121 2.473
91 H ILE 12 H ILE 12 0.484 -0.932 1.658
92 HA ILE 12 HA ILE 12 2.954 -1.901 2.952
93 HB ILE 12 HB ILE 12 0.909 -3.393 1.210
94 HG12 ILE 12 2HG1 ILE 12 1.338 -3.490 4.272
95 HG13 ILE 12 1HG1 ILE 12 0.128 -2.473 3.487
96 HG21 ILE 12 1HG2 ILE 12 3.079 -4.640 1.093
97 HG22 ILE 12 2HG2 ILE 12 1.902 -5.546 2.035
98 HG23 ILE 12 3HG2 ILE 12 3.196 -4.649 2.871
99 HD11 ILE 12 3HD1 ILE 12 0.126 -5.553 3.422
100 HD12 ILE 12 1HD1 ILE 12 -1.023 -4.513 2.536
101 HD13 ILE 12 2HD1 ILE 12 -0.967 -4.485 4.317
102 H LEU 13 H LEU 13 2.015 -1.651 -0.523
103 HA LEU 13 HA LEU 13 4.595 -2.511 -1.609
104 HB2 LEU 13 2HB LEU 13 2.356 -0.761 -2.825
105 HB3 LEU 13 1HB LEU 13 3.723 -1.277 -3.777
106 HG LEU 13 HG LEU 13 1.773 -3.244 -2.420
107 HD11 LEU 13 1HD1 LEU 13 0.728 -3.534 -4.654
108 HD12 LEU 13 2HD1 LEU 13 0.588 -1.849 -4.126
109 HD13 LEU 13 3HD1 LEU 13 1.798 -2.292 -5.356
110 HD21 LEU 13 3HD2 LEU 13 2.750 -4.950 -3.985
111 HD22 LEU 13 1HD2 LEU 13 3.917 -3.750 -4.595
112 HD23 LEU 13 2HD2 LEU 13 3.995 -4.303 -2.904
113 H LYS 14 H LYS 14 3.361 0.875 -1.042
114 HA LYS 14 HA LYS 14 5.598 2.309 -1.924
115 HB2 LYS 14 2HB LYS 14 3.399 3.208 -1.291
116 HB3 LYS 14 1HB LYS 14 3.744 3.038 0.414
117 HG2 LYS 14 1HG LYS 14 5.531 4.751 -1.439
118 HG3 LYS 14 2HG LYS 14 3.979 5.350 -0.878
119 HD2 LYS 14 1HD LYS 14 4.663 5.118 1.512
120 HD3 LYS 14 2HD LYS 14 6.231 4.474 1.032
121 HE2 LYS 14 1HE LYS 14 6.759 6.639 -0.191
122 HE3 LYS 14 2HE LYS 14 5.192 7.296 0.307
123 HZ1 LYS 14 2HZ LYS 14 7.370 6.428 2.127
124 HZ3 LYS 14 1HZ LYS 14 6.980 7.974 1.766
125 H HIS 15 H HIS 15 5.223 1.034 1.367
126 HA HIS 15 HA HIS 15 7.743 2.128 2.476
127 HB2 HIS 15 2HB HIS 15 5.774 1.592 3.909
128 HB3 HIS 15 1HB HIS 15 5.933 -0.116 3.540
129 HD2 HIS 15 HD2 HIS 15 7.988 -1.468 4.722
130 HE1 HIS 15 HE1 HIS 15 9.121 1.536 7.375
131 HE2 HIS 15 HE2 HIS 15 9.457 -0.967 6.885
132 H ILE 16 H ILE 16 6.911 -1.078 1.201
133 HA ILE 16 HA ILE 16 9.567 -2.288 1.676
134 HB ILE 16 HB ILE 16 7.414 -3.258 -0.283
135 HG12 ILE 16 2HG1 ILE 16 8.060 -4.372 2.540
136 HG13 ILE 16 1HG1 ILE 16 6.795 -3.171 2.302
137 HG21 ILE 16 1HG2 ILE 16 8.594 -5.488 -0.174
138 HG22 ILE 16 2HG2 ILE 16 9.634 -4.245 -0.866
139 HG23 ILE 16 3HG2 ILE 16 9.881 -4.760 0.818
140 HD11 ILE 16 3HD1 ILE 16 5.735 -5.353 2.381
141 HD12 ILE 16 1HD1 ILE 16 5.566 -4.733 0.722
142 HD13 ILE 16 2HD1 ILE 16 6.764 -6.002 1.089
143 H LYS 17 H LYS 17 8.161 -0.769 -1.281
144 HA LYS 17 HA LYS 17 10.464 -1.168 -2.991
145 HB2 LYS 17 1HB LYS 17 8.196 -0.621 -3.834
146 HB3 LYS 17 2HB LYS 17 8.236 0.963 -3.089
147 HG2 LYS 17 2HG LYS 17 8.522 1.121 -5.496
148 HG3 LYS 17 1HG LYS 17 9.934 1.774 -4.696
149 HD2 LYS 17 2HD LYS 17 11.173 -0.438 -5.174
150 HD3 LYS 17 1HD LYS 17 9.720 -1.048 -5.948
151 HE2 LYS 17 2HE LYS 17 11.174 -0.337 -7.721
152 HE3 LYS 17 1HE LYS 17 9.860 0.835 -7.676
153 HZ1 LYS 17 2HZ LYS 17 11.975 1.916 -7.897
154 HZ3 LYS 17 1HZ LYS 17 11.318 2.342 -6.462
155 H ASP 18 H ASP 18 9.662 1.777 -1.022
156 HA ASP 18 HA ASP 18 12.132 3.179 -1.774
157 HB2 ASP 18 2HB ASP 18 11.617 4.868 -0.114
158 HB3 ASP 18 1HB ASP 18 10.261 4.500 -1.141
159 HD2 ASP 18 HD2 ASP 18 8.285 4.620 1.613
160 H GLY 19 H GLY 19 11.526 0.984 0.957
161 HA2 GLY 19 2HA GLY 19 14.113 1.581 2.342
162 HA3 GLY 19 1HA GLY 19 13.000 0.286 2.736
163 H LYS 20 H LYS 20 12.949 -1.585 1.195
164 HA LYS 20 HA LYS 20 15.740 -2.470 0.532
165 HB2 LYS 20 1HB LYS 20 13.031 -3.945 0.418
166 HB3 LYS 20 2HB LYS 20 14.524 -4.702 -0.134
167 HG2 LYS 20 1HG LYS 20 15.556 -4.348 2.150
168 HG3 LYS 20 2HG LYS 20 14.047 -3.670 2.741
169 HD2 LYS 20 1HD LYS 20 14.393 -6.533 1.630
170 HD3 LYS 20 2HD LYS 20 14.446 -6.093 3.332
171 HE2 LYS 20 1HE LYS 20 12.041 -5.255 3.205
172 HE3 LYS 20 2HE LYS 20 11.971 -5.746 1.506
173 HZ1 LYS 20 2HZ LYS 20 12.396 -8.015 2.173
174 HZ3 LYS 20 1HZ LYS 20 11.059 -7.431 2.911
175 HN1 NH2 21 2HN NH2 21 13.685 -2.204 -3.081
176 HN2 NH2 21 1HN NH2 21 12.742 -2.647 -1.571
Start of MODEL 9
1 H1 ACE 1 3HA ACE 1 -17.683 -1.805 -1.207
2 H2 ACE 1 1HA ACE 1 -16.047 -1.938 -1.925
3 H3 ACE 1 2HA ACE 1 -17.084 -3.383 -1.791
4 H ASN 1 H ASN 1 -15.354 -2.130 1.787
5 HA ASN 1 HA ASN 1 -16.566 -0.059 -0.029
6 HB2 ASN 1 1HB ASN 1 -14.874 0.267 2.521
7 HB3 ASN 1 2HB ASN 1 -15.467 1.608 1.575
8 HD21 ASN 1 1HD2 ASN 1 -17.769 2.006 1.506
9 HD22 ASN 1 2HD2 ASN 1 -18.847 1.328 2.827
10 H GLU 2 H GLU 2 -15.544 0.816 -1.700
11 HA GLU 2 HA GLU 2 -13.094 0.170 -2.739
12 HB2 GLU 2 2HB GLU 2 -14.776 2.714 -3.122
13 HB3 GLU 2 1HB GLU 2 -13.397 2.397 -4.123
14 HG2 GLU 2 1HG GLU 2 -15.874 0.561 -3.918
15 HG3 GLU 2 2HG GLU 2 -15.563 1.720 -5.191
16 HE2 GLU 2 HE2 GLU 2 -13.738 1.456 -6.412
17 H VAL 3 H VAL 3 -13.492 2.875 -0.480
18 HA VAL 3 HA VAL 3 -10.796 4.015 -0.916
19 HB VAL 3 HB VAL 3 -12.743 4.452 1.431
20 HG11 VAL 3 1HG1 VAL 3 -10.434 5.148 2.055
21 HG12 VAL 3 2HG1 VAL 3 -11.480 6.566 1.865
22 HG13 VAL 3 3HG1 VAL 3 -10.308 6.145 0.582
23 HG21 VAL 3 3HG2 VAL 3 -13.817 5.222 -0.687
24 HG22 VAL 3 1HG2 VAL 3 -13.381 6.606 0.324
25 HG23 VAL 3 2HG2 VAL 3 -12.380 6.193 -1.096
26 H SER 4 H SER 4 -12.184 2.219 1.812
27 HA SER 4 HA SER 4 -9.821 1.594 3.241
28 HB2 SER 4 2HB SER 4 -10.932 -0.270 4.332
29 HB3 SER 4 1HB SER 4 -12.019 1.101 4.159
30 HG SER 4 HG SER 4 -12.989 -0.864 3.619
31 H GLU 5 H GLU 5 -11.153 -0.693 0.819
32 HA GLU 5 HA GLU 5 -9.018 -2.518 0.733
33 HB2 GLU 5 2HB GLU 5 -9.760 -3.376 -1.399
34 HB3 GLU 5 1HB GLU 5 -11.069 -3.108 -0.283
35 HG2 GLU 5 2HG GLU 5 -11.498 -0.875 -1.603
36 HG3 GLU 5 1HG GLU 5 -10.353 -1.472 -2.805
37 HE2 GLU 5 HE2 GLU 5 -10.873 -3.091 -4.005
38 H ARG 6 H ARG 6 -9.183 0.345 -1.383
39 HA ARG 6 HA ARG 6 -6.602 -0.233 -2.707
40 HB2 ARG 6 1HB ARG 6 -8.581 1.217 -3.657
41 HB3 ARG 6 2HB ARG 6 -8.085 2.503 -2.560
42 HG2 ARG 6 2HG ARG 6 -5.805 2.560 -3.710
43 HG3 ARG 6 1HG ARG 6 -6.363 1.313 -4.843
44 HD2 ARG 6 2HD ARG 6 -8.221 2.854 -5.625
45 HD3 ARG 6 1HD ARG 6 -7.660 4.103 -4.499
46 HH11 ARG 6 2HH2 ARG 6 -8.488 5.035 -6.508
47 HH12 ARG 6 1HH2 ARG 6 -7.812 6.001 -7.914
48 HH21 ARG 6 1HH1 ARG 6 -4.727 4.477 -7.769
49 HH22 ARG 6 2HH1 ARG 6 -5.825 5.704 -8.578
50 H VAL 7 H VAL 7 -7.307 2.154 -0.038
51 HA VAL 7 HA VAL 7 -4.705 3.102 0.349
52 HB VAL 7 HB VAL 7 -6.881 2.584 2.439
53 HG11 VAL 7 1HG1 VAL 7 -5.727 4.241 3.931
54 HG12 VAL 7 2HG1 VAL 7 -4.318 4.257 2.833
55 HG13 VAL 7 3HG1 VAL 7 -4.760 2.775 3.717
56 HG21 VAL 7 3HG2 VAL 7 -7.339 5.022 2.215
57 HG22 VAL 7 1HG2 VAL 7 -7.425 4.289 0.607
58 HG23 VAL 7 2HG2 VAL 7 -5.990 5.220 1.068
59 H HIS 8 H HIS 8 -5.990 0.087 1.946
60 HA HIS 8 HA HIS 8 -3.772 -0.855 3.276
61 HB2 HIS 8 1HB HIS 8 -6.266 -1.813 2.890
62 HB3 HIS 8 2HB HIS 8 -5.521 -2.799 1.660
63 HD2 HIS 8 HD2 HIS 8 -3.003 -3.955 2.708
64 HE1 HIS 8 HE1 HIS 8 -4.868 -4.887 6.319
65 HE2 HIS 8 HE2 HIS 8 -2.812 -5.492 4.892
66 H VAL 9 H VAL 9 -4.535 -1.596 -0.172
67 HA VAL 9 HA VAL 9 -2.103 -3.188 -0.613
68 HB VAL 9 HB VAL 9 -2.698 -3.430 -2.861
69 HG11 VAL 9 3HG2 VAL 9 -4.019 -4.801 -1.270
70 HG12 VAL 9 1HG2 VAL 9 -5.324 -3.594 -1.303
71 HG13 VAL 9 2HG2 VAL 9 -4.909 -4.490 -2.779
72 HG21 VAL 9 1HG1 VAL 9 -4.569 -2.401 -4.091
73 HG22 VAL 9 2HG1 VAL 9 -3.421 -1.150 -3.596
74 HG23 VAL 9 3HG1 VAL 9 -4.942 -1.361 -2.696
75 H TYR 10 H TYR 10 -2.754 0.266 -1.035
76 HA TYR 10 HA TYR 10 -0.327 0.831 -2.648
77 HB2 TYR 10 2HB TYR 10 -2.499 2.319 -2.508
78 HB3 TYR 10 1HB TYR 10 -1.953 2.828 -0.920
79 HD1 TYR 10 HD2 TYR 10 -1.191 2.947 -4.584
80 HD2 TYR 10 HD1 TYR 10 -0.047 4.424 -0.706
81 HE1 TYR 10 HE2 TYR 10 0.194 4.679 -5.643
82 HE2 TYR 10 HE1 TYR 10 1.339 6.145 -1.778
83 HH TYR 10 HH TYR 10 2.051 7.016 -3.692
84 H HIS 11 H HIS 11 -1.021 0.969 0.886
85 HA HIS 11 HA HIS 11 1.615 2.070 1.633
86 HB2 HIS 11 2HB HIS 11 -0.684 0.776 3.214
87 HB3 HIS 11 1HB HIS 11 0.855 0.978 3.993
88 HD2 HIS 11 HD2 HIS 11 -1.636 3.333 1.985
89 HE1 HIS 11 HE1 HIS 11 0.031 5.563 5.073
90 HE2 HIS 11 HE2 HIS 11 -1.692 5.702 3.168
91 H ILE 12 H ILE 12 0.490 -1.311 1.310
92 HA ILE 12 HA ILE 12 2.928 -2.531 2.447
93 HB ILE 12 HB ILE 12 0.853 -3.722 0.519
94 HG12 ILE 12 2HG1 ILE 12 1.243 -4.237 3.544
95 HG13 ILE 12 1HG1 ILE 12 0.070 -3.088 2.895
96 HG21 ILE 12 1HG2 ILE 12 1.794 -5.987 1.062
97 HG22 ILE 12 2HG2 ILE 12 3.089 -5.236 2.030
98 HG23 ILE 12 3HG2 ILE 12 3.007 -4.991 0.268
99 HD11 ILE 12 3HD1 ILE 12 -0.013 -6.129 2.393
100 HD12 ILE 12 1HD1 ILE 12 -1.076 -5.177 3.441
101 HD13 ILE 12 2HD1 ILE 12 -1.134 -4.939 1.676
102 H LEU 13 H LEU 13 1.984 -1.770 -0.953
103 HA LEU 13 HA LEU 13 4.529 -2.564 -2.163
104 HB2 LEU 13 1HB LEU 13 2.362 -0.587 -3.138
105 HB3 LEU 13 2HB LEU 13 3.713 -1.036 -4.151
106 HG LEU 13 HG LEU 13 1.675 -3.074 -3.060
107 HD11 LEU 13 1HD1 LEU 13 1.777 -1.741 -5.841
108 HD12 LEU 13 2HD1 LEU 13 0.666 -3.041 -5.342
109 HD13 LEU 13 3HD1 LEU 13 0.556 -1.444 -4.580
110 HD21 LEU 13 3HD2 LEU 13 3.819 -3.394 -5.270
111 HD22 LEU 13 1HD2 LEU 13 2.601 -4.611 -4.815
112 HD23 LEU 13 2HD2 LEU 13 3.862 -4.152 -3.659
113 H LYS 14 H LYS 14 3.400 0.786 -1.195
114 HA LYS 14 HA LYS 14 5.719 2.208 -1.846
115 HB2 LYS 14 1HB LYS 14 3.491 3.080 -1.065
116 HB3 LYS 14 2HB LYS 14 3.965 2.819 0.597
117 HG2 LYS 14 2HG LYS 14 5.535 4.603 -1.395
118 HG3 LYS 14 1HG LYS 14 4.151 5.180 -0.485
119 HD2 LYS 14 2HD LYS 14 5.321 4.712 1.692
120 HD3 LYS 14 1HD LYS 14 6.748 4.153 0.818
121 HE2 LYS 14 2HE LYS 14 6.996 6.422 -0.279
122 HE3 LYS 14 1HE LYS 14 5.579 7.004 0.609
123 HZ1 LYS 14 2HZ LYS 14 7.647 7.575 1.698
124 HZ3 LYS 14 1HZ LYS 14 8.101 6.009 1.818
125 H HIS 15 H HIS 15 5.217 0.490 1.211
126 HA HIS 15 HA HIS 15 7.694 1.364 2.574
127 HB2 HIS 15 1HB HIS 15 5.686 0.573 3.821
128 HB3 HIS 15 2HB HIS 15 5.865 -1.039 3.148
129 HD2 HIS 15 HD2 HIS 15 7.901 -2.585 4.123
130 HE1 HIS 15 HE1 HIS 15 8.864 -0.151 7.362
131 HE2 HIS 15 HE2 HIS 15 9.260 -2.508 6.411
132 H ILE 16 H ILE 16 6.983 -1.457 0.558
133 HA ILE 16 HA ILE 16 9.586 -2.798 1.028
134 HB ILE 16 HB ILE 16 7.599 -3.355 -1.241
135 HG12 ILE 16 1HG1 ILE 16 8.008 -4.985 1.362
136 HG13 ILE 16 2HG1 ILE 16 6.773 -3.737 1.259
137 HG21 ILE 16 1HG2 ILE 16 9.981 -5.056 -0.236
138 HG22 ILE 16 2HG2 ILE 16 8.781 -5.575 -1.447
139 HG23 ILE 16 3HG2 ILE 16 9.869 -4.235 -1.809
140 HD11 ILE 16 3HD1 ILE 16 6.813 -6.264 -0.494
141 HD12 ILE 16 1HD1 ILE 16 5.705 -5.875 0.838
142 HD13 ILE 16 2HD1 ILE 16 5.648 -4.923 -0.662
143 H LYS 17 H LYS 17 8.401 -0.862 -1.826
144 HA LYS 17 HA LYS 17 11.037 -0.885 -3.135
145 HB2 LYS 17 2HB LYS 17 10.157 0.587 -4.802
146 HB3 LYS 17 1HB LYS 17 9.017 -0.689 -4.453
147 HG2 LYS 17 1HG LYS 17 7.696 1.022 -2.998
148 HG3 LYS 17 2HG LYS 17 8.790 2.265 -3.586
149 HD2 LYS 17 1HD LYS 17 8.119 1.783 -5.957
150 HD3 LYS 17 2HD LYS 17 7.067 0.471 -5.416
151 HE2 LYS 17 1HE LYS 17 5.635 2.099 -4.131
152 HE3 LYS 17 2HE LYS 17 6.698 3.436 -4.600
153 HZ1 LYS 17 2HZ LYS 17 6.157 2.952 -6.923
154 HZ3 LYS 17 1HZ LYS 17 5.178 1.719 -6.486
155 H ASP 18 H ASP 18 9.538 1.589 -1.030
156 HA ASP 18 HA ASP 18 11.705 3.559 -1.385
157 HB2 ASP 18 2HB ASP 18 9.320 4.101 -0.698
158 HB3 ASP 18 1HB ASP 18 9.619 3.401 0.881
159 HD2 ASP 18 HD2 ASP 18 10.854 4.425 2.235
160 H GLY 19 H GLY 19 11.024 1.252 1.316
161 HA2 GLY 19 2HA GLY 19 13.447 1.904 2.873
162 HA3 GLY 19 1HA GLY 19 12.415 0.511 3.116
163 H LYS 20 H LYS 20 12.648 -1.224 1.299
164 HA LYS 20 HA LYS 20 15.538 -2.004 1.194
165 HB2 LYS 20 1HB LYS 20 12.978 -3.476 0.292
166 HB3 LYS 20 2HB LYS 20 14.582 -4.145 0.008
167 HG2 LYS 20 1HG LYS 20 15.058 -4.133 2.491
168 HG3 LYS 20 2HG LYS 20 13.483 -3.419 2.793
169 HD2 LYS 20 2HD LYS 20 13.241 -5.725 3.276
170 HD3 LYS 20 1HD LYS 20 12.350 -5.450 1.785
171 HE2 LYS 20 2HE LYS 20 14.299 -6.436 0.455
172 HE3 LYS 20 1HE LYS 20 15.201 -6.670 1.959
173 HZ1 LYS 20 2HZ LYS 20 13.468 -8.157 2.722
174 HZ3 LYS 20 1HZ LYS 20 14.095 -8.673 1.303
175 HN1 NH2 21 2HN NH2 21 14.384 -1.320 -2.749
176 HN2 NH2 21 1HN NH2 21 13.118 -1.910 -1.560
Start of MODEL 10
1 H1 ACE 1 3HA ACE 1 -17.701 -1.956 -1.194
2 H2 ACE 1 1HA ACE 1 -16.119 -2.039 -2.032
3 H3 ACE 1 2HA ACE 1 -17.154 -3.489 -1.929
4 H ASN 1 H ASN 1 -15.176 -2.496 1.601
5 HA ASN 1 HA ASN 1 -16.490 -0.298 -0.004
6 HB2 ASN 1 1HB ASN 1 -14.736 -0.165 2.524
7 HB3 ASN 1 2HB ASN 1 -15.368 1.242 1.705
8 HD21 ASN 1 1HD2 ASN 1 -17.671 1.623 1.729
9 HD22 ASN 1 2HD2 ASN 1 -18.711 0.829 3.016
10 H GLU 2 H GLU 2 -15.513 0.491 -1.715
11 HA GLU 2 HA GLU 2 -13.020 -0.017 -2.755
12 HB2 GLU 2 1HB GLU 2 -15.134 1.236 -3.769
13 HB3 GLU 2 2HB GLU 2 -14.333 2.714 -3.297
14 HG2 GLU 2 2HG GLU 2 -13.168 0.549 -5.185
15 HG3 GLU 2 1HG GLU 2 -14.055 1.961 -5.715
16 HE2 GLU 2 HE2 GLU 2 -10.175 2.186 -5.244
17 H VAL 3 H VAL 3 -13.549 2.716 -0.544
18 HA VAL 3 HA VAL 3 -10.871 3.911 -0.908
19 HB VAL 3 HB VAL 3 -12.890 4.324 1.382
20 HG11 VAL 3 3HG2 VAL 3 -11.695 6.477 1.821
21 HG12 VAL 3 1HG2 VAL 3 -10.617 5.090 2.055
22 HG13 VAL 3 2HG2 VAL 3 -10.479 6.071 0.574
23 HG21 VAL 3 1HG1 VAL 3 -13.555 6.449 0.235
24 HG22 VAL 3 2HG1 VAL 3 -13.930 5.044 -0.769
25 HG23 VAL 3 3HG1 VAL 3 -12.509 6.046 -1.156
26 H SER 4 H SER 4 -12.283 2.105 1.795
27 HA SER 4 HA SER 4 -9.960 1.554 3.315
28 HB2 SER 4 1HB SER 4 -12.282 1.000 4.026
29 HB3 SER 4 2HB SER 4 -12.293 -0.415 2.967
30 HG SER 4 HG SER 4 -10.466 -1.172 4.131
31 H GLU 5 H GLU 5 -11.173 -0.793 0.889
32 HA GLU 5 HA GLU 5 -8.984 -2.566 0.875
33 HB2 GLU 5 2HB GLU 5 -9.690 -3.516 -1.220
34 HB3 GLU 5 1HB GLU 5 -11.018 -3.238 -0.131
35 HG2 GLU 5 2HG GLU 5 -11.464 -1.064 -1.569
36 HG3 GLU 5 1HG GLU 5 -10.305 -1.718 -2.725
37 HE2 GLU 5 HE2 GLU 5 -12.392 -4.176 -3.955
38 H ARG 6 H ARG 6 -9.244 0.194 -1.351
39 HA ARG 6 HA ARG 6 -6.663 -0.341 -2.672
40 HB2 ARG 6 1HB ARG 6 -8.718 0.972 -3.652
41 HB3 ARG 6 2HB ARG 6 -8.260 2.336 -2.636
42 HG2 ARG 6 2HG ARG 6 -6.033 2.474 -3.838
43 HG3 ARG 6 1HG ARG 6 -6.510 1.117 -4.878
44 HD2 ARG 6 1HD ARG 6 -8.487 2.450 -5.729
45 HD3 ARG 6 2HD ARG 6 -8.031 3.809 -4.688
46 HH11 ARG 6 2HH2 ARG 6 -8.981 4.477 -6.775
47 HH12 ARG 6 1HH2 ARG 6 -8.418 5.399 -8.258
48 HH21 ARG 6 2HH1 ARG 6 -5.179 4.250 -8.018
49 HH22 ARG 6 1HH1 ARG 6 -6.409 5.277 -8.912
50 H VAL 7 H VAL 7 -7.411 2.169 -0.120
51 HA VAL 7 HA VAL 7 -4.825 3.198 0.167
52 HB VAL 7 HB VAL 7 -6.956 2.766 2.322
53 HG11 VAL 7 1HG1 VAL 7 -4.428 4.522 2.558
54 HG12 VAL 7 2HG1 VAL 7 -4.819 3.093 3.546
55 HG13 VAL 7 3HG1 VAL 7 -5.819 4.547 3.678
56 HG21 VAL 7 3HG2 VAL 7 -6.156 5.325 0.762
57 HG22 VAL 7 1HG2 VAL 7 -7.577 4.333 0.394
58 HG23 VAL 7 2HG2 VAL 7 -7.478 5.174 1.947
59 H HIS 8 H HIS 8 -6.030 0.250 1.943
60 HA HIS 8 HA HIS 8 -3.789 -0.563 3.318
61 HB2 HIS 8 2HB HIS 8 -6.259 -1.601 2.987
62 HB3 HIS 8 1HB HIS 8 -5.490 -2.633 1.811
63 HD2 HIS 8 HD2 HIS 8 -2.979 -3.704 2.888
64 HE1 HIS 8 HE1 HIS 8 -4.763 -4.427 6.587
65 HE2 HIS 8 HE2 HIS 8 -2.730 -5.105 5.159
66 H VAL 9 H VAL 9 -4.530 -1.513 -0.086
67 HA VAL 9 HA VAL 9 -2.042 -3.047 -0.445
68 HB VAL 9 HB VAL 9 -2.646 -3.442 -2.670
69 HG11 VAL 9 1HG1 VAL 9 -5.269 -3.577 -1.107
70 HG12 VAL 9 2HG1 VAL 9 -3.937 -4.750 -0.999
71 HG13 VAL 9 3HG1 VAL 9 -4.827 -4.548 -2.526
72 HG21 VAL 9 3HG2 VAL 9 -3.400 -1.265 -3.573
73 HG22 VAL 9 1HG2 VAL 9 -4.876 -1.374 -2.588
74 HG23 VAL 9 2HG2 VAL 9 -4.600 -2.522 -3.917
75 H TYR 10 H TYR 10 -2.816 0.346 -1.028
76 HA TYR 10 HA TYR 10 -0.444 0.955 -2.698
77 HB2 TYR 10 2HB TYR 10 -2.697 2.326 -2.529
78 HB3 TYR 10 1HB TYR 10 -2.118 2.928 -0.986
79 HD1 TYR 10 HD1 TYR 10 -1.408 2.849 -4.679
80 HD2 TYR 10 HD2 TYR 10 -0.460 4.745 -0.933
81 HE1 TYR 10 HE1 TYR 10 -0.281 4.674 -5.879
82 HE2 TYR 10 HE2 TYR 10 0.656 6.566 -2.145
83 HH TYR 10 HH TYR 10 1.217 7.394 -4.128
84 H HIS 11 H HIS 11 -1.078 1.167 0.834
85 HA HIS 11 HA HIS 11 1.528 2.397 1.512
86 HB2 HIS 11 2HB HIS 11 -0.725 1.101 3.162
87 HB3 HIS 11 1HB HIS 11 0.807 1.398 3.922
88 HD2 HIS 11 HD2 HIS 11 -1.768 3.563 1.805
89 HE1 HIS 11 HE1 HIS 11 -0.218 5.986 4.807
90 HE2 HIS 11 HE2 HIS 11 -1.930 5.975 2.888
91 H ILE 12 H ILE 12 0.462 -1.019 1.349
92 HA ILE 12 HA ILE 12 2.921 -2.160 2.513
93 HB ILE 12 HB ILE 12 0.851 -3.437 0.635
94 HG12 ILE 12 2HG1 ILE 12 1.289 -3.857 3.670
95 HG13 ILE 12 1HG1 ILE 12 0.087 -2.751 3.001
96 HG21 ILE 12 1HG2 ILE 12 1.824 -5.678 1.231
97 HG22 ILE 12 2HG2 ILE 12 3.009 -4.691 0.387
98 HG23 ILE 12 3HG2 ILE 12 3.126 -4.884 2.153
99 HD11 ILE 12 3HD1 ILE 12 -1.096 -4.667 1.856
100 HD12 ILE 12 1HD1 ILE 12 0.054 -5.808 2.605
101 HD13 ILE 12 2HD1 ILE 12 -1.016 -4.840 3.628
102 H LEU 13 H LEU 13 1.976 -1.498 -0.905
103 HA LEU 13 HA LEU 13 4.506 -2.325 -2.105
104 HB2 LEU 13 2HB LEU 13 2.390 -0.312 -3.108
105 HB3 LEU 13 1HB LEU 13 3.722 -0.820 -4.118
106 HG LEU 13 HG LEU 13 1.640 -2.785 -2.973
107 HD11 LEU 13 1HD1 LEU 13 0.569 -2.747 -5.212
108 HD12 LEU 13 2HD1 LEU 13 0.542 -1.129 -4.490
109 HD13 LEU 13 3HD1 LEU 13 1.713 -1.503 -5.779
110 HD21 LEU 13 3HD2 LEU 13 2.491 -4.360 -4.734
111 HD22 LEU 13 1HD2 LEU 13 3.781 -3.929 -3.600
112 HD23 LEU 13 2HD2 LEU 13 3.736 -3.181 -5.215
113 H LYS 14 H LYS 14 3.429 1.073 -1.218
114 HA LYS 14 HA LYS 14 5.817 2.417 -1.825
115 HB2 LYS 14 2HB LYS 14 3.749 2.969 0.353
116 HB3 LYS 14 1HB LYS 14 5.107 4.040 0.140
117 HG2 LYS 14 2HG LYS 14 3.169 3.380 -2.160
118 HG3 LYS 14 1HG LYS 14 2.948 4.713 -1.036
119 HD2 LYS 14 2HD LYS 14 5.146 5.724 -1.716
120 HD3 LYS 14 1HD LYS 14 5.440 4.389 -2.828
121 HE2 LYS 14 1HE LYS 14 3.329 5.027 -4.125
122 HE3 LYS 14 2HE LYS 14 3.109 6.405 -3.034
123 HZ1 LYS 14 2HZ LYS 14 4.250 7.011 -5.061
124 HZ3 LYS 14 1HZ LYS 14 5.454 5.940 -4.789
125 H HIS 15 H HIS 15 5.240 0.682 1.200
126 HA HIS 15 HA HIS 15 7.708 1.584 2.588
127 HB2 HIS 15 1HB HIS 15 5.657 0.868 3.823
128 HB3 HIS 15 2HB HIS 15 5.835 -0.771 3.217
129 HD2 HIS 15 HD2 HIS 15 7.805 -2.304 4.307
130 HE1 HIS 15 HE1 HIS 15 8.843 0.289 7.395
131 HE2 HIS 15 HE2 HIS 15 9.174 -2.129 6.582
132 H ILE 16 H ILE 16 6.918 -1.326 0.715
133 HA ILE 16 HA ILE 16 9.499 -2.683 1.212
134 HB ILE 16 HB ILE 16 7.477 -3.318 -1.004
135 HG12 ILE 16 1HG1 ILE 16 7.874 -4.806 1.686
136 HG13 ILE 16 2HG1 ILE 16 6.661 -3.544 1.517
137 HG21 ILE 16 1HG2 ILE 16 9.827 -5.022 0.071
138 HG22 ILE 16 2HG2 ILE 16 9.719 -4.286 -1.544
139 HG23 ILE 16 3HG2 ILE 16 8.603 -5.576 -1.099
140 HD11 ILE 16 3HD1 ILE 16 6.647 -6.175 -0.080
141 HD12 ILE 16 1HD1 ILE 16 5.506 -4.825 -0.328
142 HD13 ILE 16 2HD1 ILE 16 5.553 -5.684 1.229
143 H LYS 17 H LYS 17 8.334 -0.876 -1.736
144 HA LYS 17 HA LYS 17 10.919 -1.088 -3.094
145 HB2 LYS 17 2HB LYS 17 10.102 0.354 -4.799
146 HB3 LYS 17 1HB LYS 17 8.861 -0.788 -4.349
147 HG2 LYS 17 2HG LYS 17 7.761 1.122 -2.948
148 HG3 LYS 17 1HG LYS 17 8.945 2.216 -3.646
149 HD2 LYS 17 1HD LYS 17 8.150 1.667 -5.962
150 HD3 LYS 17 2HD LYS 17 6.998 0.493 -5.315
151 HE2 LYS 17 2HE LYS 17 5.765 2.314 -4.096
152 HE3 LYS 17 1HE LYS 17 6.934 3.519 -4.662
153 HZ1 LYS 17 2HZ LYS 17 4.986 3.505 -6.028
154 HZ3 LYS 17 1HZ LYS 17 6.270 3.037 -6.925
155 H ASP 18 H ASP 18 9.702 1.523 -0.981
156 HA ASP 18 HA ASP 18 11.991 3.322 -1.507
157 HB2 ASP 18 2HB ASP 18 9.696 4.086 -0.739
158 HB3 ASP 18 1HB ASP 18 10.004 3.397 0.844
159 HD2 ASP 18 HD2 ASP 18 11.731 6.853 -0.391
160 H GLY 19 H GLY 19 11.246 1.175 1.313
161 HA2 GLY 19 1HA GLY 19 13.790 1.668 2.727
162 HA3 GLY 19 2HA GLY 19 12.659 0.377 3.071
163 H LYS 20 H LYS 20 12.665 -1.448 1.359
164 HA LYS 20 HA LYS 20 15.450 -2.489 1.140
165 HB2 LYS 20 1HB LYS 20 12.731 -3.714 0.334
166 HB3 LYS 20 2HB LYS 20 14.252 -4.547 0.027
167 HG2 LYS 20 2HG LYS 20 14.790 -4.547 2.493
168 HG3 LYS 20 1HG LYS 20 13.311 -3.660 2.823
169 HD2 LYS 20 2HD LYS 20 12.836 -5.920 3.357
170 HD3 LYS 20 1HD LYS 20 11.933 -5.570 1.889
171 HE2 LYS 20 2HE LYS 20 13.718 -6.784 0.519
172 HE3 LYS 20 1HE LYS 20 14.637 -7.095 1.999
173 HZ1 LYS 20 2HZ LYS 20 11.893 -8.066 1.417
174 HZ3 LYS 20 1HZ LYS 20 13.260 -8.960 1.356
175 HN1 NH2 21 2HN NH2 21 14.250 -1.754 -2.782
176 HN2 NH2 21 1HN NH2 21 12.964 -2.163 -1.538
Start of MODEL 11
1 H1 ACE 1 3HA ACE 1 -16.644 -4.812 -0.804
2 H2 ACE 1 1HA ACE 1 -15.150 -4.587 0.138
3 H3 ACE 1 2HA ACE 1 -16.745 -4.437 0.933
4 H ASN 1 H ASN 1 -15.332 -2.394 1.451
5 HA ASN 1 HA ASN 1 -16.508 -0.094 -0.084
6 HB2 ASN 1 1HB ASN 1 -16.510 -0.186 2.431
7 HB3 ASN 1 2HB ASN 1 -14.763 -0.090 2.461
8 HD21 ASN 1 1HD2 ASN 1 -13.929 1.982 2.524
9 HD22 ASN 1 2HD2 ASN 1 -14.909 3.505 2.229
10 H GLU 2 H GLU 2 -15.480 0.642 -1.794
11 HA GLU 2 HA GLU 2 -12.984 0.096 -2.801
12 HB2 GLU 2 1HB GLU 2 -15.057 1.393 -3.838
13 HB3 GLU 2 2HB GLU 2 -14.247 2.855 -3.333
14 HG2 GLU 2 1HG GLU 2 -13.067 0.704 -5.226
15 HG3 GLU 2 2HG GLU 2 -13.941 2.124 -5.756
16 HE2 GLU 2 HE2 GLU 2 -10.069 2.336 -5.226
17 H VAL 3 H VAL 3 -13.475 2.844 -0.594
18 HA VAL 3 HA VAL 3 -10.759 3.957 -0.926
19 HB VAL 3 HB VAL 3 -12.770 4.439 1.356
20 HG11 VAL 3 3HG2 VAL 3 -10.479 5.151 2.014
21 HG12 VAL 3 1HG2 VAL 3 -10.318 6.110 0.521
22 HG13 VAL 3 2HG2 VAL 3 -11.518 6.565 1.766
23 HG21 VAL 3 1HG1 VAL 3 -12.363 6.113 -1.206
24 HG22 VAL 3 2HG1 VAL 3 -13.382 6.574 0.188
25 HG23 VAL 3 3HG1 VAL 3 -13.810 5.163 -0.787
26 H SER 4 H SER 4 -12.249 2.176 1.750
27 HA SER 4 HA SER 4 -9.964 1.564 3.311
28 HB2 SER 4 1HB SER 4 -12.342 -0.337 2.895
29 HB3 SER 4 2HB SER 4 -11.147 -0.463 4.188
30 HG SER 4 HG SER 4 -12.986 0.675 4.812
31 H GLU 5 H GLU 5 -11.188 -0.743 0.859
32 HA GLU 5 HA GLU 5 -9.035 -2.556 0.862
33 HB2 GLU 5 2HB GLU 5 -9.742 -3.479 -1.253
34 HB3 GLU 5 1HB GLU 5 -11.066 -3.191 -0.161
35 HG2 GLU 5 2HG GLU 5 -11.488 -1.002 -1.574
36 HG3 GLU 5 1HG GLU 5 -10.330 -1.649 -2.736
37 HE2 GLU 5 HE2 GLU 5 -10.778 -3.473 -3.738
38 H ARG 6 H ARG 6 -9.214 0.219 -1.354
39 HA ARG 6 HA ARG 6 -6.627 -0.378 -2.653
40 HB2 ARG 6 1HB ARG 6 -8.643 0.974 -3.664
41 HB3 ARG 6 2HB ARG 6 -8.172 2.331 -2.643
42 HG2 ARG 6 1HG ARG 6 -5.926 2.423 -3.813
43 HG3 ARG 6 2HG ARG 6 -6.414 1.074 -4.859
44 HD2 ARG 6 1HD ARG 6 -8.350 2.443 -5.742
45 HD3 ARG 6 2HD ARG 6 -7.888 3.794 -4.693
46 HH11 ARG 6 1HH1 ARG 6 -8.791 4.481 -6.793
47 HH12 ARG 6 2HH1 ARG 6 -8.187 5.394 -8.266
48 HH21 ARG 6 1HH2 ARG 6 -4.975 4.184 -7.976
49 HH22 ARG 6 2HH2 ARG 6 -6.170 5.235 -8.888
50 H VAL 7 H VAL 7 -7.355 2.156 -0.118
51 HA VAL 7 HA VAL 7 -4.753 3.129 0.196
52 HB VAL 7 HB VAL 7 -6.907 2.750 2.336
53 HG11 VAL 7 1HG1 VAL 7 -5.736 4.517 3.688
54 HG12 VAL 7 2HG1 VAL 7 -4.768 3.041 3.565
55 HG13 VAL 7 3HG1 VAL 7 -4.346 4.455 2.568
56 HG21 VAL 7 3HG2 VAL 7 -7.380 5.166 1.947
57 HG22 VAL 7 1HG2 VAL 7 -7.488 4.319 0.397
58 HG23 VAL 7 2HG2 VAL 7 -6.050 5.285 0.768
59 H HIS 8 H HIS 8 -6.037 0.209 1.964
60 HA HIS 8 HA HIS 8 -3.830 -0.647 3.368
61 HB2 HIS 8 1HB HIS 8 -6.314 -1.636 3.006
62 HB3 HIS 8 2HB HIS 8 -5.555 -2.677 1.832
63 HD2 HIS 8 HD2 HIS 8 -3.063 -3.798 2.946
64 HE1 HIS 8 HE1 HIS 8 -4.952 -4.546 6.588
65 HE2 HIS 8 HE2 HIS 8 -2.896 -5.235 5.200
66 H VAL 9 H VAL 9 -4.548 -1.567 -0.044
67 HA VAL 9 HA VAL 9 -2.097 -3.160 -0.382
68 HB VAL 9 HB VAL 9 -2.676 -3.525 -2.619
69 HG11 VAL 9 3HG2 VAL 9 -4.873 -4.609 -2.492
70 HG12 VAL 9 1HG2 VAL 9 -5.307 -3.644 -1.066
71 HG13 VAL 9 2HG2 VAL 9 -3.987 -4.830 -0.965
72 HG21 VAL 9 1HG1 VAL 9 -4.550 -2.593 -3.912
73 HG22 VAL 9 2HG1 VAL 9 -3.427 -1.298 -3.477
74 HG23 VAL 9 3HG1 VAL 9 -4.953 -1.487 -2.578
75 H TYR 10 H TYR 10 -2.791 0.255 -1.002
76 HA TYR 10 HA TYR 10 -0.353 0.764 -2.618
77 HB2 TYR 10 2HB TYR 10 -2.550 2.219 -2.599
78 HB3 TYR 10 1HB TYR 10 -2.040 2.830 -1.035
79 HD1 TYR 10 HD2 TYR 10 -1.155 2.701 -4.683
80 HD2 TYR 10 HD1 TYR 10 -0.242 4.527 -0.893
81 HE1 TYR 10 HE2 TYR 10 0.200 4.405 -5.821
82 HE2 TYR 10 HE1 TYR 10 1.107 6.225 -2.046
83 HH TYR 10 HH TYR 10 1.482 6.204 -5.591
84 H HIS 11 H HIS 11 -1.082 1.055 0.894
85 HA HIS 11 HA HIS 11 1.513 2.291 1.607
86 HB2 HIS 11 2HB HIS 11 -0.766 1.013 3.233
87 HB3 HIS 11 1HB HIS 11 0.753 1.324 4.014
88 HD2 HIS 11 HD2 HIS 11 -1.642 3.537 1.712
89 HE1 HIS 11 HE1 HIS 11 -0.444 5.853 4.948
90 HE2 HIS 11 HE2 HIS 11 -1.918 5.912 2.842
91 H ILE 12 H ILE 12 0.445 -1.124 1.486
92 HA ILE 12 HA ILE 12 2.893 -2.240 2.697
93 HB ILE 12 HB ILE 12 0.844 -3.571 0.832
94 HG12 ILE 12 1HG1 ILE 12 1.212 -3.868 3.890
95 HG13 ILE 12 2HG1 ILE 12 0.018 -2.803 3.144
96 HG21 ILE 12 1HG2 ILE 12 1.805 -5.786 1.522
97 HG22 ILE 12 2HG2 ILE 12 3.013 -4.827 0.678
98 HG23 ILE 12 3HG2 ILE 12 3.083 -4.962 2.452
99 HD11 ILE 12 3HD1 ILE 12 -1.124 -4.770 2.056
100 HD12 ILE 12 1HD1 ILE 12 -1.086 -4.865 3.835
101 HD13 ILE 12 2HD1 ILE 12 0.012 -5.872 2.881
102 H LEU 13 H LEU 13 1.960 -1.696 -0.747
103 HA LEU 13 HA LEU 13 4.514 -2.531 -1.904
104 HB2 LEU 13 1HB LEU 13 2.338 -0.620 -2.982
105 HB3 LEU 13 2HB LEU 13 3.691 -1.113 -3.970
106 HG LEU 13 HG LEU 13 1.678 -3.114 -2.770
107 HD11 LEU 13 1HD1 LEU 13 0.523 -1.558 -4.342
108 HD12 LEU 13 2HD1 LEU 13 1.725 -1.905 -5.610
109 HD13 LEU 13 3HD1 LEU 13 0.632 -3.189 -5.031
110 HD21 LEU 13 3HD2 LEU 13 3.872 -4.188 -3.352
111 HD22 LEU 13 1HD2 LEU 13 2.600 -4.717 -4.465
112 HD23 LEU 13 2HD2 LEU 13 3.794 -3.506 -4.995
113 H LYS 14 H LYS 14 3.351 0.844 -1.105
114 HA LYS 14 HA LYS 14 5.622 2.299 -1.848
115 HB2 LYS 14 1HB LYS 14 3.405 3.172 -1.085
116 HB3 LYS 14 2HB LYS 14 3.855 2.872 0.589
117 HG2 LYS 14 2HG LYS 14 5.773 4.523 0.333
118 HG3 LYS 14 1HG LYS 14 5.335 4.765 -1.360
119 HD2 LYS 14 2HD LYS 14 3.054 5.598 -0.645
120 HD3 LYS 14 1HD LYS 14 3.481 5.387 1.044
121 HE2 LYS 14 1HE LYS 14 4.952 7.285 -0.921
122 HE3 LYS 14 2HE LYS 14 3.650 7.775 0.159
123 HZ1 LYS 14 2HZ LYS 14 6.268 6.689 1.024
124 HZ3 LYS 14 1HZ LYS 14 5.810 8.257 1.081
125 H HIS 15 H HIS 15 5.237 0.664 1.269
126 HA HIS 15 HA HIS 15 7.752 1.647 2.506
127 HB2 HIS 15 2HB HIS 15 5.771 0.949 3.860
128 HB3 HIS 15 1HB HIS 15 5.940 -0.707 3.303
129 HD2 HIS 15 HD2 HIS 15 8.011 -2.172 4.332
130 HE1 HIS 15 HE1 HIS 15 9.069 0.506 7.341
131 HE2 HIS 15 HE2 HIS 15 9.443 -1.917 6.560
132 H ILE 16 H ILE 16 6.945 -1.323 0.741
133 HA ILE 16 HA ILE 16 9.533 -2.661 1.220
134 HB ILE 16 HB ILE 16 7.487 -3.329 -0.965
135 HG12 ILE 16 1HG1 ILE 16 7.927 -4.788 1.734
136 HG13 ILE 16 2HG1 ILE 16 6.713 -3.526 1.574
137 HG21 ILE 16 1HG2 ILE 16 9.858 -5.009 0.101
138 HG22 ILE 16 2HG2 ILE 16 8.620 -5.585 -1.044
139 HG23 ILE 16 3HG2 ILE 16 9.724 -4.296 -1.523
140 HD11 ILE 16 3HD1 ILE 16 6.670 -6.170 0.000
141 HD12 ILE 16 1HD1 ILE 16 5.598 -5.668 1.324
142 HD13 ILE 16 2HD1 ILE 16 5.525 -4.822 -0.240
143 H LYS 17 H LYS 17 8.347 -0.909 -1.759
144 HA LYS 17 HA LYS 17 10.966 -1.102 -3.078
145 HB2 LYS 17 2HB LYS 17 10.163 0.301 -4.826
146 HB3 LYS 17 1HB LYS 17 8.968 -0.905 -4.420
147 HG2 LYS 17 2HG LYS 17 7.623 0.874 -3.173
148 HG3 LYS 17 1HG LYS 17 8.822 2.078 -3.624
149 HD2 LYS 17 1HD LYS 17 8.400 1.674 -6.046
150 HD3 LYS 17 2HD LYS 17 7.250 0.396 -5.694
151 HE2 LYS 17 2HE LYS 17 6.865 3.337 -4.786
152 HE3 LYS 17 1HE LYS 17 6.277 2.700 -6.320
153 HZ1 LYS 17 2HZ LYS 17 4.917 1.118 -5.143
154 HZ3 LYS 17 1HZ LYS 17 4.557 2.647 -4.691
155 H ASP 18 H ASP 18 9.638 1.506 -1.033
156 HA ASP 18 HA ASP 18 11.843 3.391 -1.586
157 HB2 ASP 18 2HB ASP 18 9.529 4.060 -0.793
158 HB3 ASP 18 1HB ASP 18 9.882 3.390 0.789
159 HD2 ASP 18 HD2 ASP 18 11.449 6.913 -0.474
160 H GLY 19 H GLY 19 11.232 1.230 1.253
161 HA2 GLY 19 2HA GLY 19 13.777 1.840 2.624
162 HA3 GLY 19 1HA GLY 19 12.701 0.511 3.001
163 H LYS 20 H LYS 20 12.741 -1.323 1.288
164 HA LYS 20 HA LYS 20 15.572 -2.246 1.014
165 HB2 LYS 20 2HB LYS 20 12.890 -3.618 0.336
166 HB3 LYS 20 1HB LYS 20 14.439 -4.385 -0.010
167 HG2 LYS 20 1HG LYS 20 15.070 -4.266 2.429
168 HG3 LYS 20 2HG LYS 20 13.520 -3.511 2.803
169 HD2 LYS 20 1HD LYS 20 12.307 -5.534 1.900
170 HD3 LYS 20 2HD LYS 20 13.836 -6.318 1.534
171 HE2 LYS 20 2HE LYS 20 12.930 -5.475 4.379
172 HE3 LYS 20 1HE LYS 20 12.703 -7.080 3.690
173 HZ1 LYS 20 2HZ LYS 20 14.654 -6.967 5.078
174 HZ3 LYS 20 1HZ LYS 20 15.324 -5.784 4.171
175 HN1 NH2 21 2HN NH2 21 14.195 -1.664 -2.874
176 HN2 NH2 21 1HN NH2 21 12.982 -2.135 -1.580
Start of MODEL 12
1 H1 ACE 1 3HA ACE 1 -16.230 -4.403 1.511
2 H2 ACE 1 1HA ACE 1 -15.666 -5.168 0.006
3 H3 ACE 1 2HA ACE 1 -14.489 -4.409 1.104
4 H ASN 1 H ASN 1 -15.274 -2.047 1.668
5 HA ASN 1 HA ASN 1 -16.407 -0.507 -0.641
6 HB2 ASN 1 1HB ASN 1 -16.510 1.404 0.670
7 HB3 ASN 1 2HB ASN 1 -17.110 0.073 1.611
8 HD21 ASN 1 1HD2 ASN 1 -14.773 2.553 1.430
9 HD22 ASN 1 2HD2 ASN 1 -13.839 2.107 2.936
10 H GLU 2 H GLU 2 -15.389 0.761 -2.016
11 HA GLU 2 HA GLU 2 -12.844 0.332 -2.953
12 HB2 GLU 2 1HB GLU 2 -14.839 1.645 -4.050
13 HB3 GLU 2 2HB GLU 2 -14.235 3.072 -3.233
14 HG2 GLU 2 1HG GLU 2 -12.028 2.845 -4.500
15 HG3 GLU 2 2HG GLU 2 -12.631 1.390 -5.284
16 HE2 GLU 2 HE2 GLU 2 -14.711 3.035 -7.511
17 H VAL 3 H VAL 3 -13.442 2.856 -0.523
18 HA VAL 3 HA VAL 3 -10.738 4.033 -0.686
19 HB VAL 3 HB VAL 3 -12.811 4.278 1.579
20 HG11 VAL 3 3HG2 VAL 3 -11.609 6.380 2.207
21 HG12 VAL 3 1HG2 VAL 3 -10.371 6.058 0.957
22 HG13 VAL 3 2HG2 VAL 3 -10.550 4.967 2.356
23 HG21 VAL 3 1HG1 VAL 3 -12.374 6.183 -0.811
24 HG22 VAL 3 2HG1 VAL 3 -13.812 5.174 -0.518
25 HG23 VAL 3 3HG1 VAL 3 -13.435 6.498 0.592
26 H SER 4 H SER 4 -12.258 1.988 1.771
27 HA SER 4 HA SER 4 -9.995 1.297 3.338
28 HB2 SER 4 1HB SER 4 -12.336 0.700 3.907
29 HB3 SER 4 2HB SER 4 -12.323 -0.605 2.715
30 HG SER 4 HG SER 4 -10.570 -0.306 4.932
31 H GLU 5 H GLU 5 -11.135 -0.815 0.679
32 HA GLU 5 HA GLU 5 -8.955 -2.596 0.566
33 HB2 GLU 5 1HB GLU 5 -9.614 -3.338 -1.637
34 HB3 GLU 5 2HB GLU 5 -10.957 -3.169 -0.539
35 HG2 GLU 5 2HG GLU 5 -11.420 -0.878 -1.740
36 HG3 GLU 5 1HG GLU 5 -10.225 -1.368 -2.942
37 HE2 GLU 5 HE2 GLU 5 -12.213 -3.768 -4.449
38 H ARG 6 H ARG 6 -9.143 0.355 -1.408
39 HA ARG 6 HA ARG 6 -6.535 -0.096 -2.722
40 HB2 ARG 6 1HB ARG 6 -8.578 1.297 -3.619
41 HB3 ARG 6 2HB ARG 6 -8.116 2.582 -2.507
42 HG2 ARG 6 2HG ARG 6 -5.877 2.774 -3.667
43 HG3 ARG 6 1HG ARG 6 -6.342 1.516 -4.819
44 HD2 ARG 6 1HD ARG 6 -7.844 4.194 -4.432
45 HD3 ARG 6 2HD ARG 6 -6.603 3.912 -5.653
46 HH11 ARG 6 2HH2 ARG 6 -8.797 5.367 -5.937
47 HH12 ARG 6 1HH2 ARG 6 -10.190 5.326 -7.131
48 HH21 ARG 6 1HH1 ARG 6 -10.024 1.913 -7.553
49 HH22 ARG 6 2HH1 ARG 6 -10.836 3.502 -7.982
50 H VAL 7 H VAL 7 -7.329 2.207 0.007
51 HA VAL 7 HA VAL 7 -4.742 3.185 0.425
52 HB VAL 7 HB VAL 7 -6.918 2.612 2.498
53 HG11 VAL 7 1HG1 VAL 7 -4.378 4.316 2.916
54 HG12 VAL 7 2HG1 VAL 7 -4.804 2.821 3.784
55 HG13 VAL 7 3HG1 VAL 7 -5.792 4.272 4.008
56 HG21 VAL 7 3HG2 VAL 7 -7.411 5.047 2.299
57 HG22 VAL 7 1HG2 VAL 7 -7.487 4.328 0.685
58 HG23 VAL 7 2HG2 VAL 7 -6.064 5.274 1.154
59 H HIS 8 H HIS 8 -6.012 0.127 1.956
60 HA HIS 8 HA HIS 8 -3.802 -0.818 3.298
61 HB2 HIS 8 2HB HIS 8 -6.287 -1.780 2.858
62 HB3 HIS 8 1HB HIS 8 -5.524 -2.732 1.613
63 HD2 HIS 8 HD2 HIS 8 -3.073 -3.971 2.619
64 HE1 HIS 8 HE1 HIS 8 -4.921 -4.923 6.235
65 HE2 HIS 8 HE2 HIS 8 -2.902 -5.562 4.770
66 H VAL 9 H VAL 9 -4.513 -1.500 -0.173
67 HA VAL 9 HA VAL 9 -2.050 -3.047 -0.622
68 HB VAL 9 HB VAL 9 -2.620 -3.255 -2.876
69 HG11 VAL 9 1HG1 VAL 9 -4.809 -4.346 -2.852
70 HG12 VAL 9 2HG1 VAL 9 -5.272 -3.482 -1.371
71 HG13 VAL 9 3HG1 VAL 9 -3.949 -4.671 -1.330
72 HG21 VAL 9 3HG2 VAL 9 -4.878 -1.189 -2.690
73 HG22 VAL 9 1HG2 VAL 9 -3.352 -0.983 -3.594
74 HG23 VAL 9 2HG2 VAL 9 -4.518 -2.216 -4.094
75 H TYR 10 H TYR 10 -2.754 0.388 -0.960
76 HA TYR 10 HA TYR 10 -0.328 1.062 -2.540
77 HB2 TYR 10 1HB TYR 10 -2.512 2.511 -2.407
78 HB3 TYR 10 2HB TYR 10 -2.048 2.948 -0.770
79 HD1 TYR 10 HD1 TYR 10 -0.914 3.155 -4.369
80 HD2 TYR 10 HD2 TYR 10 -0.442 4.731 -0.391
81 HE1 TYR 10 HE1 TYR 10 0.448 5.002 -5.252
82 HE2 TYR 10 HE2 TYR 10 0.904 6.576 -1.289
83 HH TYR 10 HH TYR 10 1.805 7.497 -3.092
84 H HIS 11 H HIS 11 -1.052 1.093 0.989
85 HA HIS 11 HA HIS 11 1.565 2.217 1.778
86 HB2 HIS 11 1HB HIS 11 -0.739 0.868 3.312
87 HB3 HIS 11 2HB HIS 11 0.787 1.080 4.113
88 HD2 HIS 11 HD2 HIS 11 -1.704 3.437 2.109
89 HE1 HIS 11 HE1 HIS 11 -0.130 5.626 5.272
90 HE2 HIS 11 HE2 HIS 11 -1.820 5.779 3.340
91 H ILE 12 H ILE 12 0.474 -1.171 1.409
92 HA ILE 12 HA ILE 12 2.915 -2.381 2.546
93 HB ILE 12 HB ILE 12 0.854 -3.561 0.597
94 HG12 ILE 12 1HG1 ILE 12 1.245 -4.081 3.622
95 HG13 ILE 12 2HG1 ILE 12 0.049 -2.964 2.963
96 HG21 ILE 12 1HG2 ILE 12 3.007 -4.821 0.325
97 HG22 ILE 12 2HG2 ILE 12 1.798 -5.829 1.110
98 HG23 ILE 12 3HG2 ILE 12 3.095 -5.090 2.083
99 HD11 ILE 12 3HD1 ILE 12 -1.059 -5.061 3.514
100 HD12 ILE 12 1HD1 ILE 12 -1.104 -4.850 1.745
101 HD13 ILE 12 2HD1 ILE 12 0.032 -6.007 2.492
102 H LEU 13 H LEU 13 1.998 -1.595 -0.849
103 HA LEU 13 HA LEU 13 4.568 -2.355 -2.038
104 HB2 LEU 13 2HB LEU 13 2.372 -0.415 -3.022
105 HB3 LEU 13 1HB LEU 13 3.730 -0.843 -4.030
106 HG LEU 13 HG LEU 13 1.714 -2.908 -2.939
107 HD11 LEU 13 3HD2 LEU 13 1.794 -1.597 -5.732
108 HD12 LEU 13 1HD2 LEU 13 0.683 -2.885 -5.198
109 HD13 LEU 13 2HD2 LEU 13 0.587 -1.275 -4.463
110 HD21 LEU 13 1HD1 LEU 13 3.903 -3.973 -3.538
111 HD22 LEU 13 2HD1 LEU 13 2.651 -4.433 -4.703
112 HD23 LEU 13 3HD1 LEU 13 3.865 -3.206 -5.145
113 H LYS 14 H LYS 14 3.377 0.962 -1.058
114 HA LYS 14 HA LYS 14 5.675 2.422 -1.721
115 HB2 LYS 14 1HB LYS 14 3.446 3.287 -1.006
116 HB3 LYS 14 2HB LYS 14 3.845 2.962 0.676
117 HG2 LYS 14 2HG LYS 14 5.748 4.621 0.532
118 HG3 LYS 14 1HG LYS 14 5.434 4.850 -1.190
119 HD2 LYS 14 1HD LYS 14 3.112 5.703 -0.651
120 HD3 LYS 14 2HD LYS 14 3.435 5.500 1.074
121 HE2 LYS 14 2HE LYS 14 5.338 7.177 0.915
122 HE3 LYS 14 1HE LYS 14 5.035 7.363 -0.819
123 HZ1 LYS 14 2HZ LYS 14 2.791 8.130 -0.278
124 HZ3 LYS 14 1HZ LYS 14 3.069 7.959 1.323
125 H HIS 15 H HIS 15 5.207 0.693 1.341
126 HA HIS 15 HA HIS 15 7.694 1.658 2.659
127 HB2 HIS 15 2HB HIS 15 5.662 0.989 3.951
128 HB3 HIS 15 1HB HIS 15 5.839 -0.672 3.414
129 HD2 HIS 15 HD2 HIS 15 7.762 -2.164 4.584
130 HE1 HIS 15 HE1 HIS 15 8.970 0.609 7.447
131 HE2 HIS 15 HE2 HIS 15 9.211 -1.870 6.800
132 H ILE 16 H ILE 16 6.867 -1.367 0.988
133 HA ILE 16 HA ILE 16 9.512 -2.630 1.448
134 HB ILE 16 HB ILE 16 7.377 -3.488 -0.579
135 HG12 ILE 16 2HG1 ILE 16 7.988 -4.746 2.189
136 HG13 ILE 16 1HG1 ILE 16 6.724 -3.536 1.995
137 HG21 ILE 16 1HG2 ILE 16 9.610 -4.441 -1.188
138 HG22 ILE 16 2HG2 ILE 16 8.549 -5.716 -0.592
139 HG23 ILE 16 3HG2 ILE 16 9.827 -5.064 0.464
140 HD11 ILE 16 3HD1 ILE 16 5.668 -5.720 1.950
141 HD12 ILE 16 1HD1 ILE 16 6.716 -6.301 0.640
142 HD13 ILE 16 2HD1 ILE 16 5.520 -5.016 0.322
143 H LYS 17 H LYS 17 8.120 -1.076 -1.523
144 HA LYS 17 HA LYS 17 10.538 -1.395 -3.108
145 HB2 LYS 17 2HB LYS 17 8.277 -1.061 -4.086
146 HB3 LYS 17 1HB LYS 17 8.178 0.561 -3.435
147 HG2 LYS 17 1HG LYS 17 8.573 0.596 -5.831
148 HG3 LYS 17 2HG LYS 17 9.896 1.395 -5.009
149 HD2 LYS 17 2HD LYS 17 11.312 -0.710 -5.286
150 HD3 LYS 17 1HD LYS 17 9.954 -1.511 -6.085
151 HE2 LYS 17 1HE LYS 17 10.005 0.250 -7.925
152 HE3 LYS 17 2HE LYS 17 11.364 1.049 -7.120
153 HZ1 LYS 17 2HZ LYS 17 12.130 -0.403 -8.844
154 HZ3 LYS 17 1HZ LYS 17 12.666 -0.957 -7.403
155 H ASP 18 H ASP 18 9.405 1.557 -1.341
156 HA ASP 18 HA ASP 18 11.778 3.148 -2.029
157 HB2 ASP 18 1HB ASP 18 9.491 4.076 -1.369
158 HB3 ASP 18 2HB ASP 18 9.821 3.636 0.296
159 HD2 ASP 18 HD2 ASP 18 10.794 5.482 -2.374
160 H GLY 19 H GLY 19 10.999 1.329 0.993
161 HA2 GLY 19 2HA GLY 19 13.477 2.024 2.427
162 HA3 GLY 19 1HA GLY 19 12.385 0.722 2.845
163 H LYS 20 H LYS 20 12.529 -1.256 1.351
164 HA LYS 20 HA LYS 20 15.388 -2.130 1.237
165 HB2 LYS 20 1HB LYS 20 12.763 -3.641 0.646
166 HB3 LYS 20 2HB LYS 20 14.332 -4.414 0.469
167 HG2 LYS 20 1HG LYS 20 13.246 -3.242 3.112
168 HG3 LYS 20 2HG LYS 20 13.137 -4.923 2.614
169 HD2 LYS 20 1HD LYS 20 15.668 -5.083 2.542
170 HD3 LYS 20 2HD LYS 20 15.783 -3.409 3.097
171 HE2 LYS 20 2HE LYS 20 14.542 -4.022 5.229
172 HE3 LYS 20 1HE LYS 20 14.428 -5.701 4.679
173 HZ1 LYS 20 2HZ LYS 20 16.859 -5.777 4.622
174 HZ3 LYS 20 1HZ LYS 20 16.965 -4.227 5.129
175 HN1 NH2 21 2HN NH2 21 14.088 -2.050 -2.713
176 HN2 NH2 21 1HN NH2 21 12.860 -2.417 -1.400
Start of MODEL 13
1 H1 ACE 1 3HA ACE 1 -13.611 -2.697 3.320
2 H2 ACE 1 1HA ACE 1 -15.327 -2.919 3.771
3 H3 ACE 1 2HA ACE 1 -14.449 -4.216 2.924
4 H ASN 1 H ASN 1 -15.049 -0.737 2.515
5 HA ASN 1 HA ASN 1 -16.299 -1.117 -0.190
6 HB2 ASN 1 2HB ASN 1 -17.132 1.036 -0.012
7 HB3 ASN 1 1HB ASN 1 -17.214 0.464 1.622
8 HD21 ASN 1 2HD2 ASN 1 -15.084 1.168 2.957
9 HD22 ASN 1 1HD2 ASN 1 -14.516 2.877 2.600
10 H GLU 2 H GLU 2 -15.676 0.729 -1.830
11 HA GLU 2 HA GLU 2 -13.259 0.188 -3.063
12 HB2 GLU 2 2HB GLU 2 -15.353 1.480 -3.981
13 HB3 GLU 2 1HB GLU 2 -14.658 2.931 -3.291
14 HG2 GLU 2 2HG GLU 2 -12.605 2.642 -4.787
15 HG3 GLU 2 1HG GLU 2 -13.296 1.158 -5.434
16 HE2 GLU 2 HE2 GLU 2 -14.637 4.805 -6.558
17 H VAL 3 H VAL 3 -13.637 2.778 -0.667
18 HA VAL 3 HA VAL 3 -10.963 3.990 -1.049
19 HB VAL 3 HB VAL 3 -12.921 4.252 1.317
20 HG11 VAL 3 3HG2 VAL 3 -10.629 4.948 1.998
21 HG12 VAL 3 1HG2 VAL 3 -10.506 6.029 0.586
22 HG13 VAL 3 2HG2 VAL 3 -11.693 6.360 1.882
23 HG21 VAL 3 1HG1 VAL 3 -13.602 6.451 0.344
24 HG22 VAL 3 2HG1 VAL 3 -12.578 6.160 -1.090
25 HG23 VAL 3 3HG1 VAL 3 -13.995 5.131 -0.763
26 H SER 4 H SER 4 -12.314 2.044 1.597
27 HA SER 4 HA SER 4 -9.988 1.332 3.013
28 HB2 SER 4 2HB SER 4 -12.317 0.774 3.714
29 HB3 SER 4 1HB SER 4 -12.388 -0.535 2.529
30 HG SER 4 HG SER 4 -11.808 -1.229 4.598
31 H GLU 5 H GLU 5 -11.261 -0.808 0.414
32 HA GLU 5 HA GLU 5 -9.105 -2.598 0.244
33 HB2 GLU 5 2HB GLU 5 -9.788 -3.331 -1.944
34 HB3 GLU 5 1HB GLU 5 -11.139 -3.128 -0.867
35 HG2 GLU 5 1HG GLU 5 -11.556 -0.852 -2.079
36 HG3 GLU 5 2HG GLU 5 -10.320 -1.327 -3.246
37 HE2 GLU 5 HE2 GLU 5 -10.660 -2.999 -4.495
38 H ARG 6 H ARG 6 -9.260 0.395 -1.684
39 HA ARG 6 HA ARG 6 -6.641 -0.060 -2.978
40 HB2 ARG 6 2HB ARG 6 -8.618 1.430 -3.872
41 HB3 ARG 6 1HB ARG 6 -8.161 2.643 -2.679
42 HG2 ARG 6 2HG ARG 6 -5.858 2.801 -3.775
43 HG3 ARG 6 1HG ARG 6 -6.378 1.628 -5.001
44 HD2 ARG 6 1HD ARG 6 -8.238 3.200 -5.716
45 HD3 ARG 6 2HD ARG 6 -7.715 4.375 -4.496
46 HH11 ARG 6 2HH2 ARG 6 -8.514 5.430 -6.457
47 HH12 ARG 6 1HH2 ARG 6 -7.821 6.496 -7.781
48 HH21 ARG 6 1HH1 ARG 6 -4.720 5.001 -7.671
49 HH22 ARG 6 2HH1 ARG 6 -5.817 6.267 -8.420
50 H VAL 7 H VAL 7 -7.437 2.128 -0.165
51 HA VAL 7 HA VAL 7 -4.860 3.079 0.337
52 HB VAL 7 HB VAL 7 -7.037 2.379 2.375
53 HG11 VAL 7 3HG2 VAL 7 -5.932 3.991 3.951
54 HG12 VAL 7 1HG2 VAL 7 -4.529 4.114 2.852
55 HG13 VAL 7 2HG2 VAL 7 -4.916 2.573 3.656
56 HG21 VAL 7 1HG1 VAL 7 -6.250 5.102 1.119
57 HG22 VAL 7 2HG1 VAL 7 -7.556 4.824 2.299
58 HG23 VAL 7 3HG1 VAL 7 -7.678 4.152 0.668
59 H HIS 8 H HIS 8 -6.129 -0.062 1.685
60 HA HIS 8 HA HIS 8 -3.929 -1.063 3.003
61 HB2 HIS 8 1HB HIS 8 -6.399 -2.020 2.486
62 HB3 HIS 8 2HB HIS 8 -5.613 -2.902 1.204
63 HD2 HIS 8 HD2 HIS 8 -3.129 -4.132 2.200
64 HE1 HIS 8 HE1 HIS 8 -5.041 -5.327 5.709
65 HE2 HIS 8 HE2 HIS 8 -2.967 -5.829 4.267
66 H VAL 9 H VAL 9 -4.597 -1.568 -0.506
67 HA VAL 9 HA VAL 9 -2.121 -3.075 -1.006
68 HB VAL 9 HB VAL 9 -2.670 -3.166 -3.278
69 HG11 VAL 9 1HG1 VAL 9 -5.327 -3.488 -1.799
70 HG12 VAL 9 2HG1 VAL 9 -4.860 -4.267 -3.325
71 HG13 VAL 9 3HG1 VAL 9 -4.001 -4.673 -1.821
72 HG21 VAL 9 3HG2 VAL 9 -4.955 -1.153 -3.006
73 HG22 VAL 9 1HG2 VAL 9 -4.534 -2.078 -4.467
74 HG23 VAL 9 2HG2 VAL 9 -3.420 -0.848 -3.855
75 H TYR 10 H TYR 10 -2.840 0.370 -1.170
76 HA TYR 10 HA TYR 10 -0.397 1.130 -2.689
77 HB2 TYR 10 1HB TYR 10 -2.590 2.563 -2.515
78 HB3 TYR 10 2HB TYR 10 -2.147 2.924 -0.855
79 HD1 TYR 10 HD2 TYR 10 -0.888 3.238 -4.415
80 HD2 TYR 10 HD1 TYR 10 -0.640 4.759 -0.397
81 HE1 TYR 10 HE2 TYR 10 0.453 5.139 -5.208
82 HE2 TYR 10 HE1 TYR 10 0.689 6.658 -1.205
83 HH TYR 10 HH TYR 10 1.629 7.643 -2.956
84 H HIS 11 H HIS 11 -1.186 1.050 0.833
85 HA HIS 11 HA HIS 11 1.418 2.113 1.715
86 HB2 HIS 11 1HB HIS 11 -0.901 0.682 3.148
87 HB3 HIS 11 2HB HIS 11 0.616 0.849 3.976
88 HD2 HIS 11 HD2 HIS 11 -1.854 3.318 2.080
89 HE1 HIS 11 HE1 HIS 11 -0.299 5.325 5.371
90 HE2 HIS 11 HE2 HIS 11 -1.973 5.588 3.436
91 H ILE 12 H ILE 12 0.371 -1.247 1.107
92 HA ILE 12 HA ILE 12 2.786 -2.514 2.241
93 HB ILE 12 HB ILE 12 0.808 -3.580 0.144
94 HG12 ILE 12 1HG1 ILE 12 1.092 -4.299 3.141
95 HG13 ILE 12 2HG1 ILE 12 -0.094 -3.153 2.513
96 HG21 ILE 12 1HG2 ILE 12 1.769 -5.866 0.543
97 HG22 ILE 12 2HG2 ILE 12 2.992 -4.792 -0.121
98 HG23 ILE 12 3HG2 ILE 12 3.011 -5.176 1.618
99 HD11 ILE 12 3HD1 ILE 12 -0.050 -6.156 1.827
100 HD12 ILE 12 1HD1 ILE 12 -1.185 -5.305 2.883
101 HD13 ILE 12 2HD1 ILE 12 -1.181 -4.962 1.134
102 H LEU 13 H LEU 13 1.962 -1.496 -1.122
103 HA LEU 13 HA LEU 13 4.554 -2.160 -2.297
104 HB2 LEU 13 1HB LEU 13 2.423 -0.104 -3.184
105 HB3 LEU 13 2HB LEU 13 3.802 -0.488 -4.187
106 HG LEU 13 HG LEU 13 1.729 -2.593 -3.313
107 HD11 LEU 13 3HD2 LEU 13 0.652 -0.826 -4.714
108 HD12 LEU 13 1HD2 LEU 13 0.748 -2.368 -5.583
109 HD13 LEU 13 2HD2 LEU 13 1.883 -1.052 -5.982
110 HD21 LEU 13 1HD1 LEU 13 2.689 -3.983 -5.166
111 HD22 LEU 13 2HD1 LEU 13 3.930 -3.619 -3.955
112 HD23 LEU 13 3HD1 LEU 13 3.915 -2.734 -5.501
113 H LYS 14 H LYS 14 3.365 1.118 -1.133
114 HA LYS 14 HA LYS 14 5.736 2.566 -1.550
115 HB2 LYS 14 1HB LYS 14 3.673 2.910 0.672
116 HB3 LYS 14 2HB LYS 14 4.966 4.052 0.418
117 HG2 LYS 14 1HG LYS 14 2.868 3.346 -1.720
118 HG3 LYS 14 2HG LYS 14 2.754 4.697 -0.620
119 HD2 LYS 14 2HD LYS 14 4.979 4.323 -2.727
120 HD3 LYS 14 1HD LYS 14 3.535 5.265 -2.970
121 HE2 LYS 14 1HE LYS 14 5.681 5.913 -0.835
122 HE3 LYS 14 2HE LYS 14 5.586 6.638 -2.435
123 HZ1 LYS 14 2HZ LYS 14 4.574 8.052 -0.821
124 HZ3 LYS 14 1HZ LYS 14 3.438 7.557 -1.887
125 H HIS 15 H HIS 15 5.114 0.527 1.267
126 HA HIS 15 HA HIS 15 7.508 1.341 2.832
127 HB2 HIS 15 2HB HIS 15 5.441 0.441 3.913
128 HB3 HIS 15 1HB HIS 15 5.681 -1.115 3.139
129 HD2 HIS 15 HD2 HIS 15 7.724 -2.688 4.085
130 HE1 HIS 15 HE1 HIS 15 8.487 -0.476 7.530
131 HE2 HIS 15 HE2 HIS 15 8.986 -2.746 6.426
132 H ILE 16 H ILE 16 6.827 -1.405 0.687
133 HA ILE 16 HA ILE 16 9.432 -2.742 1.032
134 HB ILE 16 HB ILE 16 7.471 -3.098 -1.300
135 HG12 ILE 16 1HG1 ILE 16 7.837 -4.938 1.169
136 HG13 ILE 16 2HG1 ILE 16 6.602 -3.687 1.144
137 HG21 ILE 16 1HG2 ILE 16 9.751 -3.948 -1.902
138 HG22 ILE 16 2HG2 ILE 16 9.817 -4.910 -0.408
139 HG23 ILE 16 3HG2 ILE 16 8.639 -5.299 -1.686
140 HD11 ILE 16 3HD1 ILE 16 5.543 -5.784 0.539
141 HD12 ILE 16 1HD1 ILE 16 6.677 -6.073 -0.797
142 HD13 ILE 16 2HD1 ILE 16 5.516 -4.722 -0.887
143 H LYS 17 H LYS 17 8.280 -0.549 -1.637
144 HA LYS 17 HA LYS 17 10.847 -0.501 -3.019
145 HB2 LYS 17 1HB LYS 17 10.030 1.249 -4.406
146 HB3 LYS 17 2HB LYS 17 8.764 0.075 -4.154
147 HG2 LYS 17 1HG LYS 17 7.698 1.698 -2.433
148 HG3 LYS 17 2HG LYS 17 8.973 2.836 -2.803
149 HD2 LYS 17 1HD LYS 17 7.263 3.653 -4.094
150 HD3 LYS 17 2HD LYS 17 8.190 2.786 -5.293
151 HE2 LYS 17 2HE LYS 17 5.610 1.744 -3.908
152 HE3 LYS 17 1HE LYS 17 5.650 2.576 -5.454
153 HZ1 LYS 17 2HZ LYS 17 6.952 0.792 -6.381
154 HZ3 LYS 17 1HZ LYS 17 5.538 0.236 -5.780
155 H ASP 18 H ASP 18 9.699 1.639 -0.413
156 HA ASP 18 HA ASP 18 11.948 3.538 -0.602
157 HB2 ASP 18 2HB ASP 18 9.678 4.064 0.393
158 HB3 ASP 18 1HB ASP 18 10.041 3.034 1.766
159 HD2 ASP 18 HD2 ASP 18 11.689 6.714 1.315
160 H GLY 19 H GLY 19 11.352 0.811 1.707
161 HA2 GLY 19 2HA GLY 19 13.963 1.039 3.076
162 HA3 GLY 19 1HA GLY 19 12.853 -0.309 3.201
163 H LYS 20 H LYS 20 12.774 -1.753 1.177
164 HA LYS 20 HA LYS 20 15.560 -2.627 0.530
165 HB2 LYS 20 2HB LYS 20 12.814 -3.797 -0.258
166 HB3 LYS 20 1HB LYS 20 14.317 -4.521 -0.805
167 HG2 LYS 20 1HG LYS 20 13.420 -4.219 2.129
168 HG3 LYS 20 2HG LYS 20 13.302 -5.673 1.166
169 HD2 LYS 20 2HD LYS 20 15.942 -4.326 2.027
170 HD3 LYS 20 1HD LYS 20 15.182 -5.705 2.804
171 HE2 LYS 20 2HE LYS 20 15.449 -7.075 0.673
172 HE3 LYS 20 1HE LYS 20 16.257 -5.703 -0.099
173 HZ1 LYS 20 2HZ LYS 20 17.199 -7.061 2.364
174 HZ3 LYS 20 1HZ LYS 20 17.941 -5.791 1.650
175 HN1 NH2 21 2HN NH2 21 13.950 -1.269 -3.059
176 HN2 NH2 21 1HN NH2 21 12.813 -1.986 -1.810
Start of MODEL 14
1 H1 ACE 1 3HA ACE 1 -16.319 -4.990 -1.256
2 H2 ACE 1 1HA ACE 1 -14.764 -4.880 -0.397
3 H3 ACE 1 2HA ACE 1 -16.295 -4.962 0.524
4 H ASN 1 H ASN 1 -14.911 -2.993 1.330
5 HA ASN 1 HA ASN 1 -16.287 -0.500 0.375
6 HB2 ASN 1 1HB ASN 1 -16.067 -1.074 2.813
7 HB3 ASN 1 2HB ASN 1 -14.327 -0.909 2.722
8 HD21 ASN 1 1HD2 ASN 1 -13.571 1.127 3.207
9 HD22 ASN 1 2HD2 ASN 1 -14.605 2.642 3.265
10 H GLU 2 H GLU 2 -15.437 0.579 -1.252
11 HA GLU 2 HA GLU 2 -13.006 0.364 -2.517
12 HB2 GLU 2 2HB GLU 2 -15.177 1.659 -3.242
13 HB3 GLU 2 1HB GLU 2 -14.542 3.039 -2.370
14 HG2 GLU 2 2HG GLU 2 -12.502 3.052 -3.912
15 HG3 GLU 2 1HG GLU 2 -13.132 1.632 -4.741
16 HE2 GLU 2 HE2 GLU 2 -13.585 4.895 -4.013
17 H VAL 3 H VAL 3 -13.436 2.644 0.177
18 HA VAL 3 HA VAL 3 -10.793 3.939 -0.143
19 HB VAL 3 HB VAL 3 -12.668 3.934 2.301
20 HG11 VAL 3 3HG2 VAL 3 -11.466 6.006 3.011
21 HG12 VAL 3 1HG2 VAL 3 -10.364 4.620 2.946
22 HG13 VAL 3 2HG2 VAL 3 -10.331 5.833 1.640
23 HG21 VAL 3 1HG1 VAL 3 -12.470 6.042 0.053
24 HG22 VAL 3 2HG1 VAL 3 -13.422 6.207 1.556
25 HG23 VAL 3 3HG1 VAL 3 -13.856 4.970 0.370
26 H SER 4 H SER 4 -12.028 1.682 2.297
27 HA SER 4 HA SER 4 -9.623 0.925 3.577
28 HB2 SER 4 2HB SER 4 -11.904 0.224 4.299
29 HB3 SER 4 1HB SER 4 -11.955 -0.996 3.021
30 HG SER 4 HG SER 4 -10.029 -0.790 5.101
31 H GLU 5 H GLU 5 -10.939 -0.996 0.841
32 HA GLU 5 HA GLU 5 -8.745 -2.698 0.410
33 HB2 GLU 5 1HB GLU 5 -9.520 -3.247 -1.804
34 HB3 GLU 5 2HB GLU 5 -10.809 -3.195 -0.634
35 HG2 GLU 5 2HG GLU 5 -11.338 -0.806 -1.609
36 HG3 GLU 5 1HG GLU 5 -10.205 -1.190 -2.906
37 HE2 GLU 5 HE2 GLU 5 -12.289 -3.407 -4.537
38 H ARG 6 H ARG 6 -9.067 0.458 -1.209
39 HA ARG 6 HA ARG 6 -6.511 0.188 -2.678
40 HB2 ARG 6 2HB ARG 6 -8.561 1.692 -3.349
41 HB3 ARG 6 1HB ARG 6 -8.085 2.810 -2.074
42 HG2 ARG 6 2HG ARG 6 -5.837 3.133 -3.245
43 HG3 ARG 6 1HG ARG 6 -6.379 2.056 -4.548
44 HD2 ARG 6 2HD ARG 6 -8.310 3.627 -5.044
45 HD3 ARG 6 1HD ARG 6 -7.765 4.706 -3.748
46 HH11 ARG 6 2HH1 ARG 6 -8.677 5.904 -5.572
47 HH12 ARG 6 1HH1 ARG 6 -8.072 7.102 -6.823
48 HH21 ARG 6 2HH2 ARG 6 -4.930 5.698 -6.975
49 HH22 ARG 6 1HH2 ARG 6 -6.092 6.991 -7.563
50 H VAL 7 H VAL 7 -7.222 2.109 0.342
51 HA VAL 7 HA VAL 7 -4.640 3.075 0.824
52 HB VAL 7 HB VAL 7 -6.759 2.172 2.841
53 HG11 VAL 7 3HG2 VAL 7 -4.620 2.221 4.103
54 HG12 VAL 7 1HG2 VAL 7 -5.623 3.605 4.558
55 HG13 VAL 7 2HG2 VAL 7 -4.235 3.836 3.458
56 HG21 VAL 7 1HG1 VAL 7 -7.291 4.595 3.007
57 HG22 VAL 7 2HG1 VAL 7 -5.964 5.016 1.895
58 HG23 VAL 7 3HG1 VAL 7 -7.378 4.128 1.304
59 H HIS 8 H HIS 8 -5.797 -0.188 1.968
60 HA HIS 8 HA HIS 8 -3.511 -1.245 3.079
61 HB2 HIS 8 1HB HIS 8 -5.976 -2.234 2.632
62 HB3 HIS 8 2HB HIS 8 -5.239 -3.002 1.250
63 HD2 HIS 8 HD2 HIS 8 -2.578 -4.108 2.107
64 HE1 HIS 8 HE1 HIS 8 -4.352 -5.737 5.512
65 HE2 HIS 8 HE2 HIS 8 -2.258 -5.945 4.026
66 H VAL 9 H VAL 9 -4.369 -1.509 -0.421
67 HA VAL 9 HA VAL 9 -1.909 -2.933 -1.152
68 HB VAL 9 HB VAL 9 -2.558 -2.869 -3.394
69 HG11 VAL 9 3HG2 VAL 9 -5.150 -3.312 -1.832
70 HG12 VAL 9 1HG2 VAL 9 -4.735 -3.987 -3.421
71 HG13 VAL 9 2HG2 VAL 9 -3.817 -4.480 -1.981
72 HG21 VAL 9 1HG1 VAL 9 -4.484 -1.722 -4.424
73 HG22 VAL 9 2HG1 VAL 9 -4.834 -0.892 -2.889
74 HG23 VAL 9 3HG1 VAL 9 -3.342 -0.530 -3.790
75 H TYR 10 H TYR 10 -2.655 0.525 -1.058
76 HA TYR 10 HA TYR 10 -0.291 1.392 -2.633
77 HB2 TYR 10 2HB TYR 10 -2.487 2.785 -2.201
78 HB3 TYR 10 1HB TYR 10 -1.910 3.048 -0.565
79 HD1 TYR 10 HD1 TYR 10 -1.101 3.664 -4.194
80 HD2 TYR 10 HD2 TYR 10 -0.223 4.775 -0.129
81 HE1 TYR 10 HE1 TYR 10 0.165 5.614 -4.991
82 HE2 TYR 10 HE2 TYR 10 1.026 6.728 -0.941
83 HH TYR 10 HH TYR 10 1.365 7.397 -4.425
84 H HIS 11 H HIS 11 -0.863 0.954 0.891
85 HA HIS 11 HA HIS 11 1.772 1.997 1.730
86 HB2 HIS 11 1HB HIS 11 -0.446 0.418 3.153
87 HB3 HIS 11 2HB HIS 11 1.110 0.546 3.912
88 HD2 HIS 11 HD2 HIS 11 -1.502 3.101 2.355
89 HE1 HIS 11 HE1 HIS 11 0.235 4.901 5.677
90 HE2 HIS 11 HE2 HIS 11 -1.562 5.270 3.875
91 H ILE 12 H ILE 12 0.733 -1.279 0.787
92 HA ILE 12 HA ILE 12 3.147 -2.678 1.743
93 HB ILE 12 HB ILE 12 1.126 -3.472 -0.432
94 HG12 ILE 12 2HG1 ILE 12 1.478 -4.616 2.418
95 HG13 ILE 12 1HG1 ILE 12 0.325 -3.339 2.030
96 HG21 ILE 12 1HG2 ILE 12 3.351 -5.253 0.769
97 HG22 ILE 12 2HG2 ILE 12 3.282 -4.662 -0.910
98 HG23 ILE 12 3HG2 ILE 12 2.067 -5.798 -0.339
99 HD11 ILE 12 3HD1 ILE 12 0.216 -6.186 0.848
100 HD12 ILE 12 1HD1 ILE 12 -0.896 -4.853 0.432
101 HD13 ILE 12 2HD1 ILE 12 -0.838 -5.500 2.091
102 H LEU 13 H LEU 13 2.322 -1.324 -1.513
103 HA LEU 13 HA LEU 13 5.004 -1.842 -2.645
104 HB2 LEU 13 1HB LEU 13 2.625 -0.136 -3.615
105 HB3 LEU 13 2HB LEU 13 4.169 -0.039 -4.419
106 HG LEU 13 HG LEU 13 4.149 -2.539 -4.833
107 HD11 LEU 13 1HD1 LEU 13 2.451 -3.353 -3.186
108 HD12 LEU 13 2HD1 LEU 13 1.934 -3.740 -4.830
109 HD13 LEU 13 3HD1 LEU 13 1.183 -2.376 -3.968
110 HD21 LEU 13 3HD2 LEU 13 1.868 -0.886 -6.101
111 HD22 LEU 13 1HD2 LEU 13 3.578 -0.867 -6.597
112 HD23 LEU 13 2HD2 LEU 13 2.620 -2.344 -6.798
113 H LYS 14 H LYS 14 3.565 1.213 -1.241
114 HA LYS 14 HA LYS 14 5.759 2.912 -1.625
115 HB2 LYS 14 1HB LYS 14 3.478 3.502 -0.791
116 HB3 LYS 14 2HB LYS 14 3.899 2.909 0.811
117 HG2 LYS 14 2HG LYS 14 5.723 4.681 0.948
118 HG3 LYS 14 1HG LYS 14 5.313 5.218 -0.684
119 HD2 LYS 14 2HD LYS 14 2.958 5.761 0.107
120 HD3 LYS 14 1HD LYS 14 3.399 5.260 1.742
121 HE2 LYS 14 1HE LYS 14 5.172 7.080 1.824
122 HE3 LYS 14 2HE LYS 14 4.746 7.573 0.177
123 HZ1 LYS 14 2HZ LYS 14 2.495 8.040 0.969
124 HZ3 LYS 14 1HZ LYS 14 2.886 7.587 2.490
125 H HIS 15 H HIS 15 5.359 0.742 1.154
126 HA HIS 15 HA HIS 15 7.839 1.581 2.577
127 HB2 HIS 15 2HB HIS 15 5.811 0.740 3.782
128 HB3 HIS 15 1HB HIS 15 6.012 -0.844 3.055
129 HD2 HIS 15 HD2 HIS 15 8.003 -2.419 4.019
130 HE1 HIS 15 HE1 HIS 15 9.064 -0.024 7.256
131 HE2 HIS 15 HE2 HIS 15 9.405 -2.381 6.282
132 H ILE 16 H ILE 16 7.084 -1.135 0.421
133 HA ILE 16 HA ILE 16 9.750 -2.429 0.825
134 HB ILE 16 HB ILE 16 7.618 -3.162 -1.256
135 HG12 ILE 16 1HG1 ILE 16 8.345 -4.662 1.356
136 HG13 ILE 16 2HG1 ILE 16 7.030 -3.494 1.310
137 HG21 ILE 16 1HG2 ILE 16 10.147 -4.732 -0.431
138 HG22 ILE 16 2HG2 ILE 16 8.877 -5.303 -1.541
139 HG23 ILE 16 3HG2 ILE 16 9.886 -3.930 -1.997
140 HD11 ILE 16 3HD1 ILE 16 5.850 -4.845 -0.484
141 HD12 ILE 16 1HD1 ILE 16 7.104 -6.103 -0.321
142 HD13 ILE 16 2HD1 ILE 16 6.063 -5.702 1.060
143 H LYS 17 H LYS 17 8.322 -0.731 -2.077
144 HA LYS 17 HA LYS 17 10.772 -0.782 -3.608
145 HB2 LYS 17 2HB LYS 17 8.518 -0.437 -4.598
146 HB3 LYS 17 1HB LYS 17 8.351 1.115 -3.805
147 HG2 LYS 17 1HG LYS 17 8.788 1.380 -6.179
148 HG3 LYS 17 2HG LYS 17 10.064 2.147 -5.259
149 HD2 LYS 17 1HD LYS 17 11.563 0.129 -5.694
150 HD3 LYS 17 2HD LYS 17 10.252 -0.645 -6.590
151 HE2 LYS 17 2HE LYS 17 10.270 1.274 -8.265
152 HE3 LYS 17 1HE LYS 17 11.582 2.047 -7.362
153 HZ1 LYS 17 2HZ LYS 17 12.937 0.068 -7.771
154 HZ3 LYS 17 1HZ LYS 17 11.725 -0.646 -8.604
155 H ASP 18 H ASP 18 9.484 2.008 -1.688
156 HA ASP 18 HA ASP 18 11.936 3.614 -2.112
157 HB2 ASP 18 1HB ASP 18 9.608 4.572 -1.698
158 HB3 ASP 18 2HB ASP 18 9.731 4.092 -0.016
159 HD2 ASP 18 HD2 ASP 18 11.769 6.714 0.905
160 H GLY 19 H GLY 19 10.759 1.712 0.725
161 HA2 GLY 19 2HA GLY 19 13.154 2.316 2.392
162 HA3 GLY 19 1HA GLY 19 11.871 1.205 2.795
163 H LYS 20 H LYS 20 11.929 -0.948 1.557
164 HA LYS 20 HA LYS 20 14.366 -1.946 0.451
165 HB2 LYS 20 2HB LYS 20 15.227 -1.640 2.927
166 HB3 LYS 20 1HB LYS 20 14.131 -2.942 3.382
167 HG2 LYS 20 1HG LYS 20 15.333 -4.491 1.760
168 HG3 LYS 20 2HG LYS 20 16.405 -3.165 1.300
169 HD2 LYS 20 1HD LYS 20 17.219 -2.996 3.696
170 HD3 LYS 20 2HD LYS 20 16.142 -4.320 4.154
171 HE2 LYS 20 1HE LYS 20 17.366 -5.873 2.551
172 HE3 LYS 20 2HE LYS 20 18.444 -4.547 2.091
173 HZ1 LYS 20 2HZ LYS 20 18.151 -5.627 4.841
174 HZ3 LYS 20 1HZ LYS 20 19.147 -4.402 4.416
175 HN1 NH2 21 2HN NH2 21 11.372 -4.637 1.482
176 HN2 NH2 21 1HN NH2 21 11.986 -3.485 2.771
Start of MODEL 15
1 H1 ACE 1 3HA ACE 1 -19.064 -3.282 0.686
2 H2 ACE 1 1HA ACE 1 -18.461 -2.019 -0.423
3 H3 ACE 1 2HA ACE 1 -18.443 -1.746 1.348
4 H ASN 1 H ASN 1 -14.915 -2.906 0.669
5 HA ASN 1 HA ASN 1 -16.657 -0.515 -0.004
6 HB2 ASN 1 1HB ASN 1 -16.521 -0.670 2.545
7 HB3 ASN 1 2HB ASN 1 -14.783 -0.499 2.460
8 HD21 ASN 1 1HD2 ASN 1 -14.041 1.613 2.488
9 HD22 ASN 1 2HD2 ASN 1 -15.107 3.090 2.270
10 H GLU 2 H GLU 2 -15.726 0.224 -1.742
11 HA GLU 2 HA GLU 2 -13.241 -0.257 -2.817
12 HB2 GLU 2 2HB GLU 2 -15.351 0.891 -3.886
13 HB3 GLU 2 1HB GLU 2 -14.735 2.407 -3.264
14 HG2 GLU 2 2HG GLU 2 -12.627 2.113 -4.670
15 HG3 GLU 2 1HG GLU 2 -13.225 0.560 -5.244
16 HE2 GLU 2 HE2 GLU 2 -15.507 1.871 -7.487
17 H VAL 3 H VAL 3 -13.765 2.470 -0.598
18 HA VAL 3 HA VAL 3 -11.113 3.704 -1.032
19 HB VAL 3 HB VAL 3 -13.052 4.103 1.328
20 HG11 VAL 3 3HG2 VAL 3 -10.725 5.884 0.372
21 HG12 VAL 3 1HG2 VAL 3 -11.880 6.282 1.679
22 HG13 VAL 3 2HG2 VAL 3 -10.763 4.919 1.870
23 HG21 VAL 3 1HG1 VAL 3 -14.217 4.762 -0.774
24 HG22 VAL 3 2HG1 VAL 3 -12.841 5.788 -1.252
25 HG23 VAL 3 3HG1 VAL 3 -13.822 6.195 0.185
26 H SER 4 H SER 4 -12.436 1.860 1.698
27 HA SER 4 HA SER 4 -10.091 1.354 3.198
28 HB2 SER 4 1HB SER 4 -12.374 -0.668 2.820
29 HB3 SER 4 2HB SER 4 -11.147 -0.737 4.088
30 HG SER 4 HG SER 4 -11.815 1.337 4.759
31 H GLU 5 H GLU 5 -11.236 -1.001 0.740
32 HA GLU 5 HA GLU 5 -8.989 -2.682 0.670
33 HB2 GLU 5 1HB GLU 5 -9.642 -3.562 -1.490
34 HB3 GLU 5 2HB GLU 5 -10.983 -3.393 -0.389
35 HG2 GLU 5 2HG GLU 5 -11.578 -1.207 -1.674
36 HG3 GLU 5 1HG GLU 5 -10.339 -1.640 -2.856
37 HE2 GLU 5 HE2 GLU 5 -10.588 -3.412 -4.010
38 H ARG 6 H ARG 6 -9.280 0.212 -1.393
39 HA ARG 6 HA ARG 6 -6.648 -0.228 -2.685
40 HB2 ARG 6 1HB ARG 6 -8.659 1.159 -3.683
41 HB3 ARG 6 2HB ARG 6 -8.211 2.452 -2.573
42 HG2 ARG 6 1HG ARG 6 -5.826 2.361 -3.659
43 HG3 ARG 6 2HG ARG 6 -6.506 1.268 -4.875
44 HD2 ARG 6 1HD ARG 6 -8.141 3.057 -5.578
45 HD3 ARG 6 2HD ARG 6 -7.536 4.149 -4.342
46 HH11 ARG 6 1HH2 ARG 6 -5.600 4.841 -3.722
47 HH12 ARG 6 2HH2 ARG 6 -4.113 5.705 -4.362
48 HH21 ARG 6 1HH1 ARG 6 -4.509 4.500 -7.562
49 HH22 ARG 6 2HH1 ARG 6 -3.540 5.523 -6.387
50 H VAL 7 H VAL 7 -7.566 2.095 -0.014
51 HA VAL 7 HA VAL 7 -5.054 3.229 0.451
52 HB VAL 7 HB VAL 7 -7.240 2.491 2.464
53 HG11 VAL 7 3HG2 VAL 7 -4.815 4.315 3.014
54 HG12 VAL 7 1HG2 VAL 7 -6.259 4.159 4.054
55 HG13 VAL 7 2HG2 VAL 7 -5.184 2.773 3.826
56 HG21 VAL 7 1HG1 VAL 7 -7.834 4.221 0.672
57 HG22 VAL 7 2HG1 VAL 7 -7.852 4.898 2.306
58 HG23 VAL 7 3HG1 VAL 7 -6.481 5.226 1.217
59 H HIS 8 H HIS 8 -6.091 0.100 2.003
60 HA HIS 8 HA HIS 8 -3.769 -0.652 3.280
61 HB2 HIS 8 1HB HIS 8 -6.177 -1.822 2.983
62 HB3 HIS 8 2HB HIS 8 -5.390 -2.757 1.739
63 HD2 HIS 8 HD2 HIS 8 -2.662 -3.545 2.796
64 HE1 HIS 8 HE1 HIS 8 -4.431 -4.770 6.367
65 HE2 HIS 8 HE2 HIS 8 -2.285 -5.053 4.972
66 H VAL 9 H VAL 9 -4.556 -1.526 -0.138
67 HA VAL 9 HA VAL 9 -2.005 -2.897 -0.610
68 HB VAL 9 HB VAL 9 -2.634 -3.284 -2.814
69 HG11 VAL 9 1HG1 VAL 9 -3.895 -4.636 -1.143
70 HG12 VAL 9 2HG1 VAL 9 -5.261 -3.501 -1.259
71 HG13 VAL 9 3HG1 VAL 9 -4.777 -4.456 -2.678
72 HG21 VAL 9 3HG2 VAL 9 -4.959 -1.299 -2.712
73 HG22 VAL 9 1HG2 VAL 9 -4.579 -2.396 -4.063
74 HG23 VAL 9 2HG2 VAL 9 -3.465 -1.086 -3.654
75 H TYR 10 H TYR 10 -2.940 0.463 -1.070
76 HA TYR 10 HA TYR 10 -0.654 1.224 -2.789
77 HB2 TYR 10 2HB TYR 10 -2.983 2.455 -2.510
78 HB3 TYR 10 1HB TYR 10 -2.356 3.086 -0.998
79 HD1 TYR 10 HD1 TYR 10 -1.378 2.783 -4.676
80 HD2 TYR 10 HD2 TYR 10 -1.375 5.265 -1.160
81 HE1 TYR 10 HE1 TYR 10 -0.490 4.658 -5.991
82 HE2 TYR 10 HE2 TYR 10 -0.486 7.129 -2.485
83 HH TYR 10 HH TYR 10 0.171 6.777 -5.973
84 H HIS 11 H HIS 11 -1.213 1.381 0.767
85 HA HIS 11 HA HIS 11 1.363 2.626 1.441
86 HB2 HIS 11 1HB HIS 11 -0.791 1.196 3.072
87 HB3 HIS 11 2HB HIS 11 0.769 1.441 3.801
88 HD2 HIS 11 HD2 HIS 11 -1.954 3.657 1.996
89 HE1 HIS 11 HE1 HIS 11 0.052 6.104 4.698
90 HE2 HIS 11 HE2 HIS 11 -1.915 6.098 3.041
91 H ILE 12 H ILE 12 0.469 -0.816 1.042
92 HA ILE 12 HA ILE 12 2.930 -1.992 2.117
93 HB ILE 12 HB ILE 12 0.955 -3.090 0.035
94 HG12 ILE 12 2HG1 ILE 12 1.332 -3.920 2.991
95 HG13 ILE 12 1HG1 ILE 12 0.149 -2.718 2.477
96 HG21 ILE 12 1HG2 ILE 12 3.239 -4.657 1.413
97 HG22 ILE 12 2HG2 ILE 12 1.962 -5.372 0.396
98 HG23 ILE 12 3HG2 ILE 12 3.128 -4.269 -0.322
99 HD11 ILE 12 3HD1 ILE 12 -1.037 -4.421 1.046
100 HD12 ILE 12 1HD1 ILE 12 0.108 -5.674 1.595
101 HD13 ILE 12 2HD1 ILE 12 -0.962 -4.890 2.763
102 H LEU 13 H LEU 13 2.118 -0.902 -1.214
103 HA LEU 13 HA LEU 13 4.647 -1.591 -2.479
104 HB2 LEU 13 2HB LEU 13 2.649 0.674 -3.143
105 HB3 LEU 13 1HB LEU 13 3.970 0.275 -4.210
106 HG LEU 13 HG LEU 13 1.763 -1.740 -3.441
107 HD11 LEU 13 3HD2 LEU 13 0.741 -1.250 -5.658
108 HD12 LEU 13 1HD2 LEU 13 0.769 0.203 -4.643
109 HD13 LEU 13 2HD2 LEU 13 1.949 0.023 -5.966
110 HD21 LEU 13 1HD1 LEU 13 3.867 -1.851 -5.708
111 HD22 LEU 13 2HD1 LEU 13 3.856 -2.866 -4.245
112 HD23 LEU 13 3HD1 LEU 13 2.560 -3.032 -5.440
113 H LYS 14 H LYS 14 3.661 1.567 -0.984
114 HA LYS 14 HA LYS 14 5.986 3.094 -1.307
115 HB2 LYS 14 1HB LYS 14 4.335 3.038 1.276
116 HB3 LYS 14 2HB LYS 14 5.466 4.299 0.819
117 HG2 LYS 14 1HG LYS 14 4.059 4.903 -1.169
118 HG3 LYS 14 2HG LYS 14 2.924 3.617 -0.763
119 HD2 LYS 14 2HD LYS 14 2.587 4.730 1.547
120 HD3 LYS 14 1HD LYS 14 3.588 6.071 0.979
121 HE2 LYS 14 1HE LYS 14 1.917 6.434 -0.947
122 HE3 LYS 14 2HE LYS 14 0.930 5.120 -0.285
123 HZ1 LYS 14 2HZ LYS 14 1.642 7.609 1.166
124 HZ3 LYS 14 1HZ LYS 14 0.727 6.397 1.772
125 H HIS 15 H HIS 15 5.513 0.780 1.338
126 HA HIS 15 HA HIS 15 8.100 1.262 2.702
127 HB2 HIS 15 2HB HIS 15 6.107 0.353 3.891
128 HB3 HIS 15 1HB HIS 15 6.160 -1.113 2.928
129 HD2 HIS 15 HD2 HIS 15 8.150 -2.908 3.481
130 HE1 HIS 15 HE1 HIS 15 9.390 -1.177 7.062
131 HE2 HIS 15 HE2 HIS 15 9.611 -3.328 5.667
132 H ILE 16 H ILE 16 7.122 -1.111 0.262
133 HA ILE 16 HA ILE 16 9.631 -2.670 0.320
134 HB ILE 16 HB ILE 16 7.536 -2.621 -1.922
135 HG12 ILE 16 1HG1 ILE 16 7.885 -4.755 0.296
136 HG13 ILE 16 2HG1 ILE 16 6.752 -3.424 0.491
137 HG21 ILE 16 1HG2 ILE 16 9.793 -4.664 -1.376
138 HG22 ILE 16 2HG2 ILE 16 9.710 -3.537 -2.750
139 HG23 ILE 16 3HG2 ILE 16 8.522 -4.834 -2.613
140 HD11 ILE 16 3HD1 ILE 16 6.539 -5.546 -1.727
141 HD12 ILE 16 1HD1 ILE 16 5.512 -5.362 -0.291
142 HD13 ILE 16 2HD1 ILE 16 5.477 -4.121 -1.566
143 H LYS 17 H LYS 17 8.512 -0.127 -2.035
144 HA LYS 17 HA LYS 17 11.060 -0.076 -3.489
145 HB2 LYS 17 2HB LYS 17 10.263 1.844 -4.700
146 HB3 LYS 17 1HB LYS 17 9.040 0.601 -4.606
147 HG2 LYS 17 1HG LYS 17 7.881 1.965 -2.747
148 HG3 LYS 17 2HG LYS 17 9.065 3.237 -2.994
149 HD2 LYS 17 2HD LYS 17 8.325 3.567 -5.349
150 HD3 LYS 17 1HD LYS 17 7.289 2.152 -5.267
151 HE2 LYS 17 1HE LYS 17 5.882 4.112 -5.115
152 HE3 LYS 17 2HE LYS 17 5.797 3.252 -3.585
153 HZ1 LYS 17 2HZ LYS 17 7.466 5.656 -4.115
154 HZ3 LYS 17 1HZ LYS 17 7.401 4.869 -2.684
155 H ASP 18 H ASP 18 9.944 1.965 -0.770
156 HA ASP 18 HA ASP 18 12.279 3.768 -0.845
157 HB2 ASP 18 2HB ASP 18 10.026 4.350 0.153
158 HB3 ASP 18 1HB ASP 18 10.329 3.252 1.487
159 HD2 ASP 18 HD2 ASP 18 12.386 5.425 3.200
160 H GLY 19 H GLY 19 11.529 0.951 1.293
161 HA2 GLY 19 1HA GLY 19 14.125 0.984 2.715
162 HA3 GLY 19 2HA GLY 19 12.944 -0.306 2.759
163 H LYS 20 H LYS 20 12.832 -1.633 0.775
164 HA LYS 20 HA LYS 20 13.779 -2.933 -1.136
165 HB2 LYS 20 1HB LYS 20 15.255 -0.799 -1.647
166 HB3 LYS 20 2HB LYS 20 16.555 -1.692 -0.864
167 HG2 LYS 20 2HG LYS 20 14.900 -2.713 -3.270
168 HG3 LYS 20 1HG LYS 20 16.405 -1.819 -3.394
169 HD2 LYS 20 1HD LYS 20 17.605 -3.663 -2.106
170 HD3 LYS 20 2HD LYS 20 16.106 -4.598 -2.104
171 HE2 LYS 20 1HE LYS 20 16.087 -4.602 -4.641
172 HE3 LYS 20 2HE LYS 20 17.592 -3.670 -4.653
173 HZ1 LYS 20 2HZ LYS 20 18.682 -5.479 -3.498
174 HZ3 LYS 20 1HZ LYS 20 18.029 -5.996 -4.905
175 HN1 NH2 21 2HN NH2 21 16.291 -4.374 1.826
176 HN2 NH2 21 1HN NH2 21 16.175 -2.561 1.551
Start of MODEL 16
1 H1 ACE 1 3HA ACE 1 -14.840 -5.060 0.879
2 H2 ACE 1 1HA ACE 1 -16.354 -5.505 0.055
3 H3 ACE 1 2HA ACE 1 -16.401 -4.942 1.743
4 H ASN 1 H ASN 1 -15.133 -2.752 1.949
5 HA ASN 1 HA ASN 1 -16.578 -0.737 0.253
6 HB2 ASN 1 2HB ASN 1 -16.423 -0.539 2.756
7 HB3 ASN 1 1HB ASN 1 -14.689 -0.317 2.656
8 HD21 ASN 1 1HD2 ASN 1 -14.039 1.807 2.512
9 HD22 ASN 1 2HD2 ASN 1 -15.141 3.212 2.089
10 H GLU 2 H GLU 2 -15.716 -0.143 -1.600
11 HA GLU 2 HA GLU 2 -13.236 -0.604 -2.691
12 HB2 GLU 2 1HB GLU 2 -15.431 0.308 -3.814
13 HB3 GLU 2 2HB GLU 2 -14.882 1.915 -3.383
14 HG2 GLU 2 2HG GLU 2 -12.797 1.575 -4.810
15 HG3 GLU 2 1HG GLU 2 -13.323 -0.060 -5.193
16 HE2 GLU 2 HE2 GLU 2 -15.079 -0.340 -6.370
17 H VAL 3 H VAL 3 -13.852 2.347 -0.808
18 HA VAL 3 HA VAL 3 -11.255 3.618 -1.441
19 HB VAL 3 HB VAL 3 -13.209 4.244 0.858
20 HG11 VAL 3 1HG1 VAL 3 -12.114 6.490 0.940
21 HG12 VAL 3 2HG1 VAL 3 -10.934 5.972 -0.300
22 HG13 VAL 3 3HG1 VAL 3 -10.955 5.201 1.307
23 HG21 VAL 3 3HG2 VAL 3 -13.029 5.611 -1.907
24 HG22 VAL 3 1HG2 VAL 3 -14.039 6.150 -0.536
25 HG23 VAL 3 2HG2 VAL 3 -14.375 4.601 -1.320
26 H SER 4 H SER 4 -12.482 2.126 1.533
27 HA SER 4 HA SER 4 -10.095 1.901 3.033
28 HB2 SER 4 2HB SER 4 -12.371 1.333 3.879
29 HB3 SER 4 1HB SER 4 -12.326 -0.211 3.021
30 HG SER 4 HG SER 4 -10.436 -0.708 4.224
31 H GLU 5 H GLU 5 -11.234 -0.805 0.963
32 HA GLU 5 HA GLU 5 -8.958 -2.449 1.105
33 HB2 GLU 5 2HB GLU 5 -9.636 -3.667 -0.860
34 HB3 GLU 5 1HB GLU 5 -10.964 -3.335 0.214
35 HG2 GLU 5 2HG GLU 5 -11.552 -1.370 -1.444
36 HG3 GLU 5 1HG GLU 5 -10.360 -2.069 -2.540
37 HE2 GLU 5 HE2 GLU 5 -10.704 -3.983 -3.361
38 H ARG 6 H ARG 6 -9.353 0.072 -1.380
39 HA ARG 6 HA ARG 6 -6.739 -0.498 -2.653
40 HB2 ARG 6 1HB ARG 6 -8.828 0.629 -3.784
41 HB3 ARG 6 2HB ARG 6 -8.442 2.100 -2.896
42 HG2 ARG 6 2HG ARG 6 -6.173 2.171 -4.066
43 HG3 ARG 6 1HG ARG 6 -6.624 0.728 -4.996
44 HD2 ARG 6 1HD ARG 6 -8.602 1.978 -5.978
45 HD3 ARG 6 2HD ARG 6 -8.148 3.422 -5.056
46 HH11 ARG 6 1HH2 ARG 6 -9.048 3.970 -7.174
47 HH12 ARG 6 2HH2 ARG 6 -8.453 4.768 -8.715
48 HH21 ARG 6 1HH1 ARG 6 -5.250 3.546 -8.376
49 HH22 ARG 6 2HH1 ARG 6 -6.446 4.543 -9.347
50 H VAL 7 H VAL 7 -7.625 2.216 -0.368
51 HA VAL 7 HA VAL 7 -5.092 3.383 -0.161
52 HB VAL 7 HB VAL 7 -7.214 3.065 2.023
53 HG11 VAL 7 3HG2 VAL 7 -6.174 5.021 3.191
54 HG12 VAL 7 1HG2 VAL 7 -5.077 3.631 3.184
55 HG13 VAL 7 2HG2 VAL 7 -4.793 4.982 2.059
56 HG21 VAL 7 1HG1 VAL 7 -7.865 5.385 1.409
57 HG22 VAL 7 2HG1 VAL 7 -7.913 4.392 -0.054
58 HG23 VAL 7 3HG1 VAL 7 -6.550 5.492 0.211
59 H HIS 8 H HIS 8 -6.180 0.582 1.907
60 HA HIS 8 HA HIS 8 -3.896 0.010 3.334
61 HB2 HIS 8 1HB HIS 8 -6.306 -1.166 3.178
62 HB3 HIS 8 2HB HIS 8 -5.512 -2.292 2.108
63 HD2 HIS 8 HD2 HIS 8 -2.821 -2.949 3.310
64 HE1 HIS 8 HE1 HIS 8 -4.642 -3.561 7.011
65 HE2 HIS 8 HE2 HIS 8 -2.490 -4.099 5.702
66 H VAL 9 H VAL 9 -4.645 -1.359 0.074
67 HA VAL 9 HA VAL 9 -2.120 -2.835 -0.147
68 HB VAL 9 HB VAL 9 -2.719 -3.499 -2.303
69 HG11 VAL 9 3HG2 VAL 9 -5.337 -3.516 -0.722
70 HG12 VAL 9 1HG2 VAL 9 -3.967 -4.626 -0.475
71 HG13 VAL 9 2HG2 VAL 9 -4.863 -4.642 -2.012
72 HG21 VAL 9 1HG1 VAL 9 -3.546 -1.441 -3.435
73 HG22 VAL 9 2HG1 VAL 9 -5.046 -1.508 -2.470
74 HG23 VAL 9 3HG1 VAL 9 -4.679 -2.783 -3.654
75 H TYR 10 H TYR 10 -2.973 0.450 -1.121
76 HA TYR 10 HA TYR 10 -0.599 0.876 -2.844
77 HB2 TYR 10 1HB TYR 10 -2.875 2.209 -2.900
78 HB3 TYR 10 2HB TYR 10 -2.324 3.033 -1.450
79 HD1 TYR 10 HD2 TYR 10 -1.086 2.194 -4.966
80 HD2 TYR 10 HD1 TYR 10 -1.226 5.126 -1.818
81 HE1 TYR 10 HE2 TYR 10 0.038 3.821 -6.421
82 HE2 TYR 10 HE1 TYR 10 -0.103 6.742 -3.284
83 HH TYR 10 HH TYR 10 0.783 7.118 -5.284
84 H HIS 11 H HIS 11 -1.249 1.515 0.632
85 HA HIS 11 HA HIS 11 1.304 2.890 1.185
86 HB2 HIS 11 1HB HIS 11 -0.867 1.680 2.965
87 HB3 HIS 11 2HB HIS 11 0.667 2.087 3.672
88 HD2 HIS 11 HD2 HIS 11 -2.048 3.934 1.456
89 HE1 HIS 11 HE1 HIS 11 -0.310 6.770 3.951
90 HE2 HIS 11 HE2 HIS 11 -2.167 6.477 2.196
91 H ILE 12 H ILE 12 0.389 -0.566 1.252
92 HA ILE 12 HA ILE 12 2.800 -1.608 2.553
93 HB ILE 12 HB ILE 12 0.858 -2.953 0.587
94 HG12 ILE 12 2HG1 ILE 12 1.144 -3.377 3.638
95 HG13 ILE 12 1HG1 ILE 12 0.001 -2.234 2.934
96 HG21 ILE 12 1HG2 ILE 12 3.079 -4.348 2.226
97 HG22 ILE 12 2HG2 ILE 12 1.811 -5.179 1.290
98 HG23 ILE 12 3HG2 ILE 12 3.009 -4.205 0.451
99 HD11 ILE 12 3HD1 ILE 12 -1.187 -4.091 1.715
100 HD12 ILE 12 1HD1 ILE 12 -0.085 -5.281 2.458
101 HD13 ILE 12 2HD1 ILE 12 -1.166 -4.325 3.481
102 H LEU 13 H LEU 13 2.098 -0.995 -0.922
103 HA LEU 13 HA LEU 13 4.652 -1.874 -2.007
104 HB2 LEU 13 2HB LEU 13 2.686 0.288 -3.020
105 HB3 LEU 13 1HB LEU 13 4.029 -0.251 -3.990
106 HG LEU 13 HG LEU 13 1.793 -2.141 -3.014
107 HD11 LEU 13 1HD1 LEU 13 0.842 -0.374 -4.492
108 HD12 LEU 13 2HD1 LEU 13 2.052 -0.734 -5.748
109 HD13 LEU 13 3HD1 LEU 13 0.829 -1.951 -5.303
110 HD21 LEU 13 3HD2 LEU 13 2.632 -3.692 -4.802
111 HD22 LEU 13 1HD2 LEU 13 3.952 -2.561 -5.192
112 HD23 LEU 13 2HD2 LEU 13 3.899 -3.370 -3.607
113 H LYS 14 H LYS 14 3.681 1.440 -0.936
114 HA LYS 14 HA LYS 14 6.025 2.892 -1.442
115 HB2 LYS 14 2HB LYS 14 4.370 3.215 1.121
116 HB3 LYS 14 1HB LYS 14 5.508 4.387 0.483
117 HG2 LYS 14 2HG LYS 14 4.083 4.714 -1.561
118 HG3 LYS 14 1HG LYS 14 2.945 3.508 -0.963
119 HD2 LYS 14 1HD LYS 14 2.645 4.939 1.170
120 HD3 LYS 14 2HD LYS 14 3.647 6.178 0.405
121 HE2 LYS 14 1HE LYS 14 1.953 6.278 -1.531
122 HE3 LYS 14 2HE LYS 14 0.963 5.083 -0.676
123 HZ1 LYS 14 2HZ LYS 14 0.240 7.341 -0.267
124 HZ3 LYS 14 1HZ LYS 14 1.696 7.772 0.338
125 H HIS 15 H HIS 15 5.458 1.029 1.530
126 HA HIS 15 HA HIS 15 8.041 1.618 2.848
127 HB2 HIS 15 2HB HIS 15 6.006 0.974 4.129
128 HB3 HIS 15 1HB HIS 15 6.014 -0.624 3.404
129 HD2 HIS 15 HD2 HIS 15 7.935 -2.378 4.253
130 HE1 HIS 15 HE1 HIS 15 9.212 -0.161 7.539
131 HE2 HIS 15 HE2 HIS 15 9.366 -2.507 6.494
132 H ILE 16 H ILE 16 6.979 -1.124 0.869
133 HA ILE 16 HA ILE 16 9.475 -2.689 1.125
134 HB ILE 16 HB ILE 16 7.365 -2.935 -1.087
135 HG12 ILE 16 1HG1 ILE 16 7.692 -4.718 1.431
136 HG13 ILE 16 2HG1 ILE 16 6.564 -3.369 1.408
137 HG21 ILE 16 1HG2 ILE 16 9.595 -4.917 -0.253
138 HG22 ILE 16 2HG2 ILE 16 9.514 -4.011 -1.781
139 HG23 ILE 16 3HG2 ILE 16 8.313 -5.255 -1.443
140 HD11 ILE 16 3HD1 ILE 16 5.306 -4.383 -0.533
141 HD12 ILE 16 1HD1 ILE 16 6.355 -5.824 -0.435
142 HD13 ILE 16 2HD1 ILE 16 5.312 -5.391 0.934
143 H LYS 17 H LYS 17 8.368 -0.381 -1.420
144 HA LYS 17 HA LYS 17 10.710 -0.597 -3.116
145 HB2 LYS 17 2HB LYS 17 8.534 0.345 -3.860
146 HB3 LYS 17 1HB LYS 17 8.681 1.701 -2.763
147 HG2 LYS 17 2HG LYS 17 9.084 2.384 -5.056
148 HG3 LYS 17 1HG LYS 17 10.517 2.693 -4.101
149 HD2 LYS 17 2HD LYS 17 11.580 0.574 -5.046
150 HD3 LYS 17 1HD LYS 17 10.112 0.261 -5.979
151 HE2 LYS 17 2HE LYS 17 10.443 2.457 -7.227
152 HE3 LYS 17 1HE LYS 17 11.912 2.767 -6.288
153 HZ1 LYS 17 2HZ LYS 17 12.381 1.779 -8.430
154 HZ3 LYS 17 1HZ LYS 17 11.466 0.463 -8.106
155 H ASP 18 H ASP 18 10.068 1.840 -0.506
156 HA ASP 18 HA ASP 18 12.667 3.169 -0.834
157 HB2 ASP 18 1HB ASP 18 12.214 4.427 1.192
158 HB3 ASP 18 2HB ASP 18 10.882 4.451 0.073
159 HD2 ASP 18 HD2 ASP 18 8.719 3.920 2.628
160 H GLY 19 H GLY 19 11.751 0.477 1.321
161 HA2 GLY 19 1HA GLY 19 14.367 0.463 2.787
162 HA3 GLY 19 2HA GLY 19 13.093 -0.730 2.925
163 H LYS 20 H LYS 20 12.811 -2.194 0.989
164 HA LYS 20 HA LYS 20 15.432 -3.408 0.254
165 HB2 LYS 20 2HB LYS 20 12.525 -4.216 -0.410
166 HB3 LYS 20 1HB LYS 20 13.905 -5.109 -1.048
167 HG2 LYS 20 1HG LYS 20 14.702 -5.614 1.293
168 HG3 LYS 20 2HG LYS 20 13.369 -4.684 1.957
169 HD2 LYS 20 1HD LYS 20 12.712 -6.975 2.131
170 HD3 LYS 20 2HD LYS 20 11.703 -6.245 0.904
171 HE2 LYS 20 1HE LYS 20 12.294 -8.459 0.135
172 HE3 LYS 20 2HE LYS 20 13.136 -7.329 -0.917
173 HZ1 LYS 20 2HZ LYS 20 15.143 -7.698 0.437
174 HZ3 LYS 20 1HZ LYS 20 14.342 -8.746 1.403
175 HN1 NH2 21 2HN NH2 21 13.911 -1.878 -3.311
176 HN2 NH2 21 1HN NH2 21 12.727 -2.426 -2.020
Start of MODEL 17
1 H1 ACE 1 3HA ACE 1 -18.910 1.082 2.476
2 H2 ACE 1 1HA ACE 1 -17.431 0.191 2.021
3 H3 ACE 1 2HA ACE 1 -18.966 -0.103 1.144
4 H ASN 1 H ASN 1 -17.194 2.379 -1.090
5 HA ASN 1 HA ASN 1 -16.776 -0.467 -0.163
6 HB2 ASN 1 1HB ASN 1 -17.798 -1.562 -2.039
7 HB3 ASN 1 2HB ASN 1 -18.992 -0.588 -1.239
8 HD21 ASN 1 2HD2 ASN 1 -17.338 -1.133 -4.220
9 HD22 ASN 1 1HD2 ASN 1 -18.253 0.120 -5.196
10 H GLU 2 H GLU 2 -15.321 -1.626 -1.517
11 HA GLU 2 HA GLU 2 -13.076 -1.875 -2.028
12 HB2 GLU 2 2HB GLU 2 -14.628 -1.627 -4.144
13 HB3 GLU 2 1HB GLU 2 -13.911 -0.050 -4.364
14 HG2 GLU 2 2HG GLU 2 -11.627 -1.128 -4.660
15 HG3 GLU 2 1HG GLU 2 -12.315 -2.708 -4.306
16 HE2 GLU 2 HE2 GLU 2 -13.747 -3.169 -7.415
17 H VAL 3 H VAL 3 -13.555 1.317 -1.019
18 HA VAL 3 HA VAL 3 -10.901 2.388 -1.688
19 HB VAL 3 HB VAL 3 -12.841 3.310 0.517
20 HG11 VAL 3 1HG1 VAL 3 -11.683 5.524 0.343
21 HG12 VAL 3 2HG1 VAL 3 -10.530 4.841 -0.840
22 HG13 VAL 3 3HG1 VAL 3 -10.554 4.254 0.842
23 HG21 VAL 3 3HG2 VAL 3 -13.622 5.083 -1.078
24 HG22 VAL 3 1HG2 VAL 3 -14.026 3.465 -1.662
25 HG23 VAL 3 2HG2 VAL 3 -12.657 4.344 -2.387
26 H SER 4 H SER 4 -12.242 1.165 1.359
27 HA SER 4 HA SER 4 -9.928 1.095 2.987
28 HB2 SER 4 2HB SER 4 -12.225 0.544 3.772
29 HB3 SER 4 1HB SER 4 -12.119 -1.056 3.030
30 HG SER 4 HG SER 4 -10.275 -1.430 4.345
31 H GLU 5 H GLU 5 -10.927 -1.799 1.104
32 HA GLU 5 HA GLU 5 -8.620 -3.356 1.438
33 HB2 GLU 5 1HB GLU 5 -9.204 -4.705 -0.510
34 HB3 GLU 5 2HB GLU 5 -10.538 -4.392 0.572
35 HG2 GLU 5 2HG GLU 5 -11.380 -2.603 -1.044
36 HG3 GLU 5 1HG GLU 5 -10.080 -3.028 -2.167
37 HE2 GLU 5 HE2 GLU 5 -13.356 -5.341 -1.724
38 H ARG 6 H ARG 6 -9.004 -1.086 -1.294
39 HA ARG 6 HA ARG 6 -6.338 -1.709 -2.412
40 HB2 ARG 6 2HB ARG 6 -8.414 -0.742 -3.706
41 HB3 ARG 6 1HB ARG 6 -8.069 0.817 -2.964
42 HG2 ARG 6 2HG ARG 6 -5.771 0.801 -4.079
43 HG3 ARG 6 1HG ARG 6 -6.182 -0.736 -4.868
44 HD2 ARG 6 2HD ARG 6 -8.148 0.382 -6.020
45 HD3 ARG 6 1HD ARG 6 -7.734 1.918 -5.239
46 HH11 ARG 6 2HH2 ARG 6 -8.585 2.234 -7.424
47 HH12 ARG 6 1HH2 ARG 6 -7.959 2.879 -9.024
48 HH21 ARG 6 2HH1 ARG 6 -4.753 1.743 -8.482
49 HH22 ARG 6 1HH1 ARG 6 -5.934 2.619 -9.580
50 H VAL 7 H VAL 7 -7.337 1.194 -0.431
51 HA VAL 7 HA VAL 7 -4.840 2.438 -0.285
52 HB VAL 7 HB VAL 7 -7.006 2.277 1.872
53 HG11 VAL 7 1HG1 VAL 7 -4.618 4.231 1.794
54 HG12 VAL 7 2HG1 VAL 7 -4.936 2.999 3.040
55 HG13 VAL 7 3HG1 VAL 7 -6.040 4.370 2.866
56 HG21 VAL 7 3HG2 VAL 7 -7.682 4.522 1.024
57 HG22 VAL 7 1HG2 VAL 7 -7.689 3.383 -0.328
58 HG23 VAL 7 2HG2 VAL 7 -6.347 4.528 -0.157
59 H HIS 8 H HIS 8 -5.906 -0.180 2.018
60 HA HIS 8 HA HIS 8 -3.659 -0.549 3.565
61 HB2 HIS 8 1HB HIS 8 -6.051 -1.789 3.409
62 HB3 HIS 8 2HB HIS 8 -5.191 -2.981 2.472
63 HD2 HIS 8 HD2 HIS 8 -2.654 -3.671 3.782
64 HE1 HIS 8 HE1 HIS 8 -4.510 -3.769 7.515
65 HE2 HIS 8 HE2 HIS 8 -2.402 -4.591 6.286
66 H VAL 9 H VAL 9 -4.243 -2.192 0.406
67 HA VAL 9 HA VAL 9 -1.666 -3.614 0.403
68 HB VAL 9 HB VAL 9 -2.170 -4.472 -1.709
69 HG11 VAL 9 1HG1 VAL 9 -4.275 -5.678 -1.390
70 HG12 VAL 9 2HG1 VAL 9 -3.429 -5.509 0.165
71 HG13 VAL 9 3HG1 VAL 9 -4.832 -4.479 -0.204
72 HG21 VAL 9 3HG2 VAL 9 -3.056 -2.526 -3.008
73 HG22 VAL 9 1HG2 VAL 9 -4.081 -3.957 -3.180
74 HG23 VAL 9 2HG2 VAL 9 -4.582 -2.636 -2.099
75 H TYR 10 H TYR 10 -2.613 -0.458 -0.869
76 HA TYR 10 HA TYR 10 -0.204 -0.071 -2.563
77 HB2 TYR 10 2HB TYR 10 -2.500 1.189 -2.820
78 HB3 TYR 10 1HB TYR 10 -2.073 2.111 -1.389
79 HD1 TYR 10 HD2 TYR 10 -1.074 1.393 -4.942
80 HD2 TYR 10 HD1 TYR 10 -0.450 3.962 -1.545
81 HE1 TYR 10 HE2 TYR 10 0.165 2.976 -6.356
82 HE2 TYR 10 HE1 TYR 10 0.782 5.536 -2.971
83 HH TYR 10 HH TYR 10 1.278 4.897 -6.443
84 H HIS 11 H HIS 11 -1.008 0.866 0.822
85 HA HIS 11 HA HIS 11 1.494 2.369 1.281
86 HB2 HIS 11 2HB HIS 11 -0.727 1.299 3.122
87 HB3 HIS 11 1HB HIS 11 0.761 1.839 3.835
88 HD2 HIS 11 HD2 HIS 11 -1.868 3.361 1.274
89 HE1 HIS 11 HE1 HIS 11 -0.534 6.441 3.728
90 HE2 HIS 11 HE2 HIS 11 -2.192 5.930 1.828
91 H ILE 12 H ILE 12 0.672 -1.069 1.862
92 HA ILE 12 HA ILE 12 3.190 -1.722 3.259
93 HB ILE 12 HB ILE 12 1.247 -3.558 1.745
94 HG12 ILE 12 2HG1 ILE 12 1.662 -3.197 4.790
95 HG13 ILE 12 1HG1 ILE 12 0.390 -2.387 3.871
96 HG21 ILE 12 1HG2 ILE 12 3.603 -4.422 3.557
97 HG22 ILE 12 2HG2 ILE 12 2.374 -5.509 2.860
98 HG23 ILE 12 3HG2 ILE 12 3.495 -4.669 1.797
99 HD11 ILE 12 3HD1 ILE 12 -0.567 -4.332 4.985
100 HD12 ILE 12 1HD1 ILE 12 -0.612 -4.617 3.226
101 HD13 ILE 12 2HD1 ILE 12 0.601 -5.438 4.246
102 H LEU 13 H LEU 13 2.244 -2.003 -0.215
103 HA LEU 13 HA LEU 13 4.869 -2.854 -1.184
104 HB2 LEU 13 1HB LEU 13 2.549 -1.405 -2.622
105 HB3 LEU 13 2HB LEU 13 3.952 -1.963 -3.497
106 HG LEU 13 HG LEU 13 2.117 -3.851 -1.895
107 HD11 LEU 13 1HD1 LEU 13 1.101 -4.486 -4.071
108 HD12 LEU 13 2HD1 LEU 13 2.092 -3.277 -4.928
109 HD13 LEU 13 3HD1 LEU 13 0.853 -2.759 -3.758
110 HD21 LEU 13 3HD2 LEU 13 3.205 -5.677 -3.236
111 HD22 LEU 13 1HD2 LEU 13 4.293 -4.493 -4.002
112 HD23 LEU 13 2HD2 LEU 13 4.406 -4.820 -2.256
113 H LYS 14 H LYS 14 3.451 0.516 -1.084
114 HA LYS 14 HA LYS 14 5.604 1.934 -2.167
115 HB2 LYS 14 1HB LYS 14 3.348 2.809 -1.559
116 HB3 LYS 14 2HB LYS 14 3.819 2.891 0.134
117 HG2 LYS 14 1HG LYS 14 5.616 4.578 -0.472
118 HG3 LYS 14 2HG LYS 14 5.190 4.421 -2.178
119 HD2 LYS 14 1HD LYS 14 2.844 5.240 -1.658
120 HD3 LYS 14 2HD LYS 14 3.288 5.420 0.042
121 HE2 LYS 14 1HE LYS 14 5.065 7.121 -0.600
122 HE3 LYS 14 2HE LYS 14 4.634 6.931 -2.306
123 HZ1 LYS 14 2HZ LYS 14 2.784 7.855 -0.177
124 HZ3 LYS 14 1HZ LYS 14 2.387 7.679 -1.753
125 H HIS 15 H HIS 15 5.334 1.040 1.252
126 HA HIS 15 HA HIS 15 7.779 2.397 2.217
127 HB2 HIS 15 2HB HIS 15 5.872 1.861 3.722
128 HB3 HIS 15 1HB HIS 15 6.131 0.140 3.495
129 HD2 HIS 15 HD2 HIS 15 8.284 -0.986 4.756
130 HE1 HIS 15 HE1 HIS 15 9.209 2.280 7.168
131 HE2 HIS 15 HE2 HIS 15 9.712 -0.225 6.868
132 H ILE 16 H ILE 16 7.179 -0.943 1.200
133 HA ILE 16 HA ILE 16 9.876 -1.972 1.806
134 HB ILE 16 HB ILE 16 7.834 -3.166 -0.146
135 HG12 ILE 16 2HG1 ILE 16 8.457 -4.092 2.746
136 HG13 ILE 16 1HG1 ILE 16 7.159 -2.950 2.424
137 HG21 ILE 16 1HG2 ILE 16 10.117 -4.072 -0.611
138 HG22 ILE 16 2HG2 ILE 16 10.342 -4.474 1.108
139 HG23 ILE 16 3HG2 ILE 16 9.116 -5.321 0.131
140 HD11 ILE 16 3HD1 ILE 16 6.177 -5.168 2.596
141 HD12 ILE 16 1HD1 ILE 16 7.241 -5.831 1.338
142 HD13 ILE 16 2HD1 ILE 16 6.002 -4.620 0.913
143 H LYS 17 H LYS 17 8.489 -0.838 -1.348
144 HA LYS 17 HA LYS 17 11.003 -1.124 -2.838
145 HB2 LYS 17 2HB LYS 17 8.677 0.789 -3.506
146 HB3 LYS 17 1HB LYS 17 9.970 0.327 -4.588
147 HG2 LYS 17 2HG LYS 17 7.676 -1.470 -3.602
148 HG3 LYS 17 1HG LYS 17 7.934 -0.814 -5.199
149 HD2 LYS 17 1HD LYS 17 10.019 -2.191 -5.481
150 HD3 LYS 17 2HD LYS 17 9.814 -2.884 -3.880
151 HE2 LYS 17 2HE LYS 17 7.768 -3.190 -6.186
152 HE3 LYS 17 1HE LYS 17 9.028 -4.359 -5.799
153 HZ1 LYS 17 2HZ LYS 17 8.045 -4.629 -3.597
154 HZ3 LYS 17 1HZ LYS 17 6.868 -3.547 -3.937
155 H ASP 18 H ASP 18 9.694 1.826 -1.197
156 HA ASP 18 HA ASP 18 11.941 3.502 -2.073
157 HB2 ASP 18 2HB ASP 18 11.192 5.238 -0.584
158 HB3 ASP 18 1HB ASP 18 9.883 4.579 -1.523
159 HD2 ASP 18 HD2 ASP 18 7.966 4.693 1.275
160 H GLY 19 H GLY 19 11.623 1.494 0.847
161 HA2 GLY 19 1HA GLY 19 14.143 2.525 2.112
162 HA3 GLY 19 2HA GLY 19 13.171 1.181 2.677
163 H LYS 20 H LYS 20 13.268 -0.841 1.318
164 HA LYS 20 HA LYS 20 16.131 -1.530 0.709
165 HB2 LYS 20 1HB LYS 20 13.574 -3.256 0.844
166 HB3 LYS 20 2HB LYS 20 15.117 -3.925 0.316
167 HG2 LYS 20 1HG LYS 20 16.180 -3.271 2.512
168 HG3 LYS 20 2HG LYS 20 14.638 -2.616 3.069
169 HD2 LYS 20 1HD LYS 20 13.570 -4.898 2.809
170 HD3 LYS 20 2HD LYS 20 15.113 -5.557 2.255
171 HE2 LYS 20 1HE LYS 20 16.177 -4.944 4.485
172 HE3 LYS 20 2HE LYS 20 14.631 -4.284 5.040
173 HZ1 LYS 20 2HZ LYS 20 13.649 -6.468 4.789
174 HZ3 LYS 20 1HZ LYS 20 14.928 -6.518 5.806
175 HN1 NH2 21 2HN NH2 21 14.021 -1.882 -2.863
176 HN2 NH2 21 1HN NH2 21 13.153 -2.271 -1.294
Start of MODEL 18
1 H1 ACE 1 3HA ACE 1 -15.854 -3.465 3.003
2 H2 ACE 1 1HA ACE 1 -14.813 -3.120 1.595
3 H3 ACE 1 2HA ACE 1 -16.580 -3.319 1.380
4 H ASN 1 H ASN 1 -16.176 0.438 1.585
5 HA ASN 1 HA ASN 1 -15.261 -1.756 -0.270
6 HB2 ASN 1 2HB ASN 1 -17.047 -1.630 -1.863
7 HB3 ASN 1 1HB ASN 1 -17.708 -2.065 -0.318
8 HD21 ASN 1 2HD2 ASN 1 -17.791 0.263 -2.859
9 HD22 ASN 1 1HD2 ASN 1 -19.124 1.302 -2.149
10 H GLU 2 H GLU 2 -14.625 -0.928 -2.295
11 HA GLU 2 HA GLU 2 -12.917 0.140 -3.407
12 HB2 GLU 2 1HB GLU 2 -15.265 1.137 -3.993
13 HB3 GLU 2 2HB GLU 2 -14.838 2.523 -3.014
14 HG2 GLU 2 1HG GLU 2 -12.842 2.991 -4.539
15 HG3 GLU 2 2HG GLU 2 -13.258 1.576 -5.502
16 HE2 GLU 2 HE2 GLU 2 -14.185 4.653 -4.482
17 H VAL 3 H VAL 3 -13.596 2.113 -0.599
18 HA VAL 3 HA VAL 3 -11.003 3.606 -0.739
19 HB VAL 3 HB VAL 3 -13.108 3.501 1.510
20 HG11 VAL 3 1HG1 VAL 3 -10.743 5.446 1.160
21 HG12 VAL 3 2HG1 VAL 3 -10.908 4.202 2.426
22 HG13 VAL 3 3HG1 VAL 3 -12.030 5.574 2.397
23 HG21 VAL 3 3HG2 VAL 3 -14.091 4.570 -0.518
24 HG22 VAL 3 1HG2 VAL 3 -12.701 5.675 -0.647
25 HG23 VAL 3 2HG2 VAL 3 -13.820 5.780 0.742
26 H SER 4 H SER 4 -12.366 1.318 1.613
27 HA SER 4 HA SER 4 -10.043 0.582 3.034
28 HB2 SER 4 1HB SER 4 -11.127 -1.534 3.677
29 HB3 SER 4 2HB SER 4 -12.236 -0.170 3.742
30 HG SER 4 HG SER 4 -13.143 -1.991 2.762
31 H GLU 5 H GLU 5 -11.135 -1.341 0.203
32 HA GLU 5 HA GLU 5 -8.886 -2.988 -0.093
33 HB2 GLU 5 1HB GLU 5 -9.507 -3.442 -2.419
34 HB3 GLU 5 2HB GLU 5 -10.814 -3.567 -1.265
35 HG2 GLU 5 2HG GLU 5 -11.697 -1.326 -2.031
36 HG3 GLU 5 1HG GLU 5 -10.395 -1.208 -3.224
37 HE2 GLU 5 HE2 GLU 5 -11.735 -3.511 -5.434
38 H ARG 6 H ARG 6 -9.181 0.166 -1.738
39 HA ARG 6 HA ARG 6 -6.534 -0.048 -3.029
40 HB2 ARG 6 2HB ARG 6 -8.571 1.412 -3.826
41 HB3 ARG 6 1HB ARG 6 -8.186 2.543 -2.533
42 HG2 ARG 6 2HG ARG 6 -5.883 2.901 -3.577
43 HG3 ARG 6 1HG ARG 6 -6.331 1.810 -4.903
44 HD2 ARG 6 2HD ARG 6 -8.258 3.344 -5.514
45 HD3 ARG 6 1HD ARG 6 -7.806 4.438 -4.195
46 HH11 ARG 6 1HH2 ARG 6 -8.635 5.613 -6.074
47 HH12 ARG 6 2HH2 ARG 6 -7.981 6.816 -7.295
48 HH21 ARG 6 2HH1 ARG 6 -4.812 5.467 -7.263
49 HH22 ARG 6 1HH1 ARG 6 -5.961 6.737 -7.921
50 H VAL 7 H VAL 7 -7.461 1.861 -0.064
51 HA VAL 7 HA VAL 7 -4.932 2.879 0.560
52 HB VAL 7 HB VAL 7 -7.141 1.953 2.466
53 HG11 VAL 7 1HG1 VAL 7 -6.133 3.437 4.219
54 HG12 VAL 7 2HG1 VAL 7 -4.695 3.689 3.189
55 HG13 VAL 7 3HG1 VAL 7 -5.072 2.073 3.837
56 HG21 VAL 7 3HG2 VAL 7 -6.369 4.800 1.513
57 HG22 VAL 7 1HG2 VAL 7 -7.736 4.365 2.571
58 HG23 VAL 7 2HG2 VAL 7 -7.734 3.866 0.874
59 H HIS 8 H HIS 8 -6.096 -0.396 1.675
60 HA HIS 8 HA HIS 8 -3.862 -1.399 2.931
61 HB2 HIS 8 2HB HIS 8 -6.297 -2.405 2.354
62 HB3 HIS 8 1HB HIS 8 -5.482 -3.181 1.022
63 HD2 HIS 8 HD2 HIS 8 -2.952 -4.382 1.961
64 HE1 HIS 8 HE1 HIS 8 -4.846 -5.855 5.372
65 HE2 HIS 8 HE2 HIS 8 -2.747 -6.196 3.921
66 H VAL 9 H VAL 9 -4.499 -1.675 -0.613
67 HA VAL 9 HA VAL 9 -1.986 -3.106 -1.175
68 HB VAL 9 HB VAL 9 -2.523 -3.116 -3.443
69 HG11 VAL 9 3HG2 VAL 9 -4.695 -4.232 -3.564
70 HG12 VAL 9 1HG2 VAL 9 -3.871 -4.678 -2.052
71 HG13 VAL 9 2HG2 VAL 9 -5.206 -3.500 -2.028
72 HG21 VAL 9 1HG1 VAL 9 -4.736 -1.060 -3.083
73 HG22 VAL 9 2HG1 VAL 9 -4.451 -1.988 -4.573
74 HG23 VAL 9 3HG1 VAL 9 -3.238 -0.827 -4.008
75 H TYR 10 H TYR 10 -2.792 0.339 -1.163
76 HA TYR 10 HA TYR 10 -0.352 1.218 -2.614
77 HB2 TYR 10 2HB TYR 10 -2.580 2.595 -2.378
78 HB3 TYR 10 1HB TYR 10 -2.135 2.895 -0.707
79 HD1 TYR 10 HD1 TYR 10 -1.080 3.484 -4.273
80 HD2 TYR 10 HD2 TYR 10 -0.446 4.604 -0.165
81 HE1 TYR 10 HE1 TYR 10 0.274 5.404 -4.995
82 HE2 TYR 10 HE2 TYR 10 0.898 6.522 -0.903
83 HH TYR 10 HH TYR 10 1.481 7.159 -4.360
84 H HIS 11 H HIS 11 -1.153 0.887 0.889
85 HA HIS 11 HA HIS 11 1.408 1.985 1.853
86 HB2 HIS 11 1HB HIS 11 -0.869 0.397 3.177
87 HB3 HIS 11 2HB HIS 11 0.640 0.555 4.024
88 HD2 HIS 11 HD2 HIS 11 -1.904 3.052 2.277
89 HE1 HIS 11 HE1 HIS 11 -0.378 4.930 5.658
90 HE2 HIS 11 HE2 HIS 11 -2.074 5.247 3.750
91 H ILE 12 H ILE 12 0.461 -1.380 1.082
92 HA ILE 12 HA ILE 12 2.937 -2.610 2.120
93 HB ILE 12 HB ILE 12 0.960 -3.666 0.017
94 HG12 ILE 12 1HG1 ILE 12 1.313 -4.479 2.980
95 HG13 ILE 12 2HG1 ILE 12 0.081 -3.351 2.411
96 HG21 ILE 12 1HG2 ILE 12 2.008 -5.927 0.320
97 HG22 ILE 12 2HG2 ILE 12 3.183 -4.787 -0.322
98 HG23 ILE 12 3HG2 ILE 12 3.242 -5.231 1.401
99 HD11 ILE 12 3HD1 ILE 12 -0.939 -5.545 2.713
100 HD12 ILE 12 1HD1 ILE 12 0.213 -6.325 1.619
101 HD13 ILE 12 2HD1 ILE 12 -0.963 -5.145 0.977
102 H LEU 13 H LEU 13 2.016 -1.506 -1.192
103 HA LEU 13 HA LEU 13 4.616 -2.023 -2.432
104 HB2 LEU 13 1HB LEU 13 2.357 -0.054 -3.192
105 HB3 LEU 13 2HB LEU 13 3.738 -0.299 -4.230
106 HG LEU 13 HG LEU 13 1.810 -2.567 -3.431
107 HD11 LEU 13 1HD1 LEU 13 0.788 -2.301 -5.679
108 HD12 LEU 13 2HD1 LEU 13 0.615 -0.805 -4.744
109 HD13 LEU 13 3HD1 LEU 13 1.841 -0.906 -6.032
110 HD21 LEU 13 3HD2 LEU 13 3.973 -2.484 -5.644
111 HD22 LEU 13 1HD2 LEU 13 2.825 -3.816 -5.356
112 HD23 LEU 13 2HD2 LEU 13 4.056 -3.436 -4.142
113 H LYS 14 H LYS 14 3.310 1.089 -1.048
114 HA LYS 14 HA LYS 14 5.502 2.752 -1.518
115 HB2 LYS 14 1HB LYS 14 3.249 3.368 -0.595
116 HB3 LYS 14 2HB LYS 14 3.753 2.819 0.997
117 HG2 LYS 14 2HG LYS 14 5.598 4.602 0.959
118 HG3 LYS 14 1HG LYS 14 5.053 5.093 -0.646
119 HD2 LYS 14 2HD LYS 14 2.722 5.588 0.383
120 HD3 LYS 14 1HD LYS 14 3.395 5.190 1.953
121 HE2 LYS 14 2HE LYS 14 3.427 7.580 1.822
122 HE3 LYS 14 1HE LYS 14 5.111 7.085 1.671
123 HZ1 LYS 14 2HZ LYS 14 4.924 7.383 -0.727
124 HZ3 LYS 14 1HZ LYS 14 4.555 8.763 0.067
125 H HIS 15 H HIS 15 5.180 0.658 1.320
126 HA HIS 15 HA HIS 15 7.662 1.480 2.704
127 HB2 HIS 15 2HB HIS 15 5.730 0.478 3.912
128 HB3 HIS 15 1HB HIS 15 5.939 -1.041 3.058
129 HD2 HIS 15 HD2 HIS 15 8.068 -2.609 3.786
130 HE1 HIS 15 HE1 HIS 15 9.041 -0.526 7.259
131 HE2 HIS 15 HE2 HIS 15 9.494 -2.740 6.028
132 H ILE 16 H ILE 16 6.973 -1.181 0.469
133 HA ILE 16 HA ILE 16 9.621 -2.466 0.657
134 HB ILE 16 HB ILE 16 7.587 -2.753 -1.621
135 HG12 ILE 16 1HG1 ILE 16 8.090 -4.709 0.732
136 HG13 ILE 16 2HG1 ILE 16 6.823 -3.493 0.818
137 HG21 ILE 16 1HG2 ILE 16 8.798 -4.899 -2.158
138 HG22 ILE 16 2HG2 ILE 16 10.011 -4.535 -0.905
139 HG23 ILE 16 3HG2 ILE 16 9.861 -3.504 -2.346
140 HD11 ILE 16 3HD1 ILE 16 5.797 -5.584 0.138
141 HD12 ILE 16 1HD1 ILE 16 5.691 -4.450 -1.229
142 HD13 ILE 16 2HD1 ILE 16 6.890 -5.772 -1.248
143 H LYS 17 H LYS 17 8.323 -0.170 -1.852
144 HA LYS 17 HA LYS 17 10.853 0.016 -3.289
145 HB2 LYS 17 1HB LYS 17 9.982 1.814 -4.576
146 HB3 LYS 17 2HB LYS 17 8.782 0.556 -4.410
147 HG2 LYS 17 1HG LYS 17 7.557 1.981 -2.678
148 HG3 LYS 17 2HG LYS 17 8.762 3.248 -2.894
149 HD2 LYS 17 2HD LYS 17 8.173 3.400 -5.350
150 HD3 LYS 17 1HD LYS 17 6.951 2.141 -5.137
151 HE2 LYS 17 2HE LYS 17 5.676 3.615 -3.532
152 HE3 LYS 17 1HE LYS 17 6.919 4.868 -3.665
153 HZ1 LYS 17 2HZ LYS 17 6.425 5.001 -6.044
154 HZ3 LYS 17 1HZ LYS 17 5.278 3.842 -5.917
155 H ASP 18 H ASP 18 9.655 2.136 -0.636
156 HA ASP 18 HA ASP 18 11.981 3.948 -0.824
157 HB2 ASP 18 1HB ASP 18 11.255 5.029 1.204
158 HB3 ASP 18 2HB ASP 18 9.958 4.849 0.057
159 HD2 ASP 18 HD2 ASP 18 8.380 4.975 1.228
160 H GLY 19 H GLY 19 11.464 1.014 1.120
161 HA2 GLY 19 2HA GLY 19 13.986 1.342 2.714
162 HA3 GLY 19 1HA GLY 19 12.920 -0.047 2.728
163 H LYS 20 H LYS 20 12.965 -1.398 0.816
164 HA LYS 20 HA LYS 20 14.006 -2.646 -1.074
165 HB2 LYS 20 1HB LYS 20 15.148 -0.391 -1.798
166 HB3 LYS 20 2HB LYS 20 16.567 -0.980 -0.930
167 HG2 LYS 20 2HG LYS 20 16.578 -3.068 -2.366
168 HG3 LYS 20 1HG LYS 20 15.151 -2.481 -3.224
169 HD2 LYS 20 2HD LYS 20 16.448 -0.437 -3.980
170 HD3 LYS 20 1HD LYS 20 17.875 -1.026 -3.118
171 HE2 LYS 20 2HE LYS 20 17.903 -3.107 -4.584
172 HE3 LYS 20 1HE LYS 20 16.474 -2.518 -5.446
173 HZ1 LYS 20 2HZ LYS 20 19.078 -1.101 -5.300
174 HZ3 LYS 20 1HZ LYS 20 17.759 -0.557 -6.097
175 HN1 NH2 21 2HN NH2 21 16.810 -3.673 1.791
176 HN2 NH2 21 1HN NH2 21 16.394 -1.899 1.549
Start of MODEL 19
1 H1 ACE 1 3HA ACE 1 -15.786 -4.903 -0.348
2 H2 ACE 1 1HA ACE 1 -16.307 -4.279 1.236
3 H3 ACE 1 2HA ACE 1 -14.570 -4.316 0.812
4 H ASN 1 H ASN 1 -15.250 -1.996 1.632
5 HA ASN 1 HA ASN 1 -16.354 -0.173 -0.466
6 HB2 ASN 1 2HB ASN 1 -16.329 1.590 1.043
7 HB3 ASN 1 1HB ASN 1 -16.960 0.192 1.859
8 HD21 ASN 1 1HD2 ASN 1 -14.525 2.580 1.861
9 HD22 ASN 1 2HD2 ASN 1 -13.562 1.935 3.273
10 H GLU 2 H GLU 2 -15.326 1.215 -1.721
11 HA GLU 2 HA GLU 2 -12.837 0.789 -2.791
12 HB2 GLU 2 2HB GLU 2 -14.861 2.392 -3.519
13 HB3 GLU 2 1HB GLU 2 -13.892 3.667 -2.830
14 HG2 GLU 2 2HG GLU 2 -13.077 1.721 -5.105
15 HG3 GLU 2 1HG GLU 2 -13.687 3.345 -5.327
16 HE2 GLU 2 HE2 GLU 2 -11.099 1.472 -4.949
17 H VAL 3 H VAL 3 -13.258 3.061 -0.087
18 HA VAL 3 HA VAL 3 -10.524 4.162 -0.195
19 HB VAL 3 HB VAL 3 -12.508 4.188 2.161
20 HG11 VAL 3 3HG2 VAL 3 -10.195 4.730 2.907
21 HG12 VAL 3 1HG2 VAL 3 -11.224 6.171 2.980
22 HG13 VAL 3 2HG2 VAL 3 -10.052 5.978 1.643
23 HG21 VAL 3 1HG1 VAL 3 -13.566 5.345 0.225
24 HG22 VAL 3 2HG1 VAL 3 -13.116 6.518 1.469
25 HG23 VAL 3 3HG1 VAL 3 -12.117 6.355 -0.004
26 H SER 4 H SER 4 -12.031 1.874 2.046
27 HA SER 4 HA SER 4 -9.753 0.936 3.447
28 HB2 SER 4 1HB SER 4 -12.098 0.335 4.002
29 HB3 SER 4 2HB SER 4 -12.149 -0.816 2.660
30 HG SER 4 HG SER 4 -10.375 -1.885 3.648
31 H GLU 5 H GLU 5 -11.006 -0.802 0.565
32 HA GLU 5 HA GLU 5 -8.878 -2.600 0.182
33 HB2 GLU 5 1HB GLU 5 -9.577 -3.013 -2.102
34 HB3 GLU 5 2HB GLU 5 -10.895 -2.984 -0.960
35 HG2 GLU 5 1HG GLU 5 -11.389 -0.567 -1.795
36 HG3 GLU 5 2HG GLU 5 -10.187 -0.832 -3.062
37 HE2 GLU 5 HE2 GLU 5 -13.827 -2.602 -3.155
38 H ARG 6 H ARG 6 -8.997 0.591 -1.385
39 HA ARG 6 HA ARG 6 -6.401 0.247 -2.760
40 HB2 ARG 6 1HB ARG 6 -8.357 1.832 -3.488
41 HB3 ARG 6 2HB ARG 6 -7.912 2.911 -2.170
42 HG2 ARG 6 1HG ARG 6 -5.651 3.268 -3.184
43 HG3 ARG 6 2HG ARG 6 -6.032 2.186 -4.528
44 HD2 ARG 6 1HD ARG 6 -7.650 4.747 -3.880
45 HD3 ARG 6 2HD ARG 6 -6.249 4.716 -4.953
46 HH11 ARG 6 1HH1 ARG 6 -8.038 6.230 -5.591
47 HH12 ARG 6 2HH1 ARG 6 -9.151 6.399 -7.040
48 HH21 ARG 6 1HH2 ARG 6 -9.307 3.004 -7.600
49 HH22 ARG 6 2HH2 ARG 6 -9.820 4.694 -8.099
50 H VAL 7 H VAL 7 -7.117 2.168 0.268
51 HA VAL 7 HA VAL 7 -4.504 2.996 0.815
52 HB VAL 7 HB VAL 7 -6.669 2.167 2.818
53 HG11 VAL 7 3HG2 VAL 7 -4.102 3.779 3.400
54 HG12 VAL 7 1HG2 VAL 7 -5.484 3.594 4.516
55 HG13 VAL 7 2HG2 VAL 7 -4.520 2.181 4.065
56 HG21 VAL 7 1HG1 VAL 7 -5.818 4.975 1.807
57 HG22 VAL 7 2HG1 VAL 7 -7.114 4.626 2.980
58 HG23 VAL 7 3HG1 VAL 7 -7.283 4.113 1.296
59 H HIS 8 H HIS 8 -5.844 -0.224 1.876
60 HA HIS 8 HA HIS 8 -3.657 -1.407 3.058
61 HB2 HIS 8 1HB HIS 8 -6.155 -2.252 2.480
62 HB3 HIS 8 2HB HIS 8 -5.403 -3.020 1.108
63 HD2 HIS 8 HD2 HIS 8 -2.930 -4.389 1.955
64 HE1 HIS 8 HE1 HIS 8 -4.842 -5.892 5.342
65 HE2 HIS 8 HE2 HIS 8 -2.787 -6.286 3.841
66 H VAL 9 H VAL 9 -4.374 -1.546 -0.475
67 HA VAL 9 HA VAL 9 -1.940 -3.053 -1.151
68 HB VAL 9 HB VAL 9 -2.511 -2.909 -3.413
69 HG11 VAL 9 1HG1 VAL 9 -5.160 -3.315 -1.942
70 HG12 VAL 9 2HG1 VAL 9 -4.728 -3.951 -3.542
71 HG13 VAL 9 3HG1 VAL 9 -3.863 -4.522 -2.096
72 HG21 VAL 9 3HG2 VAL 9 -4.749 -0.885 -2.927
73 HG22 VAL 9 1HG2 VAL 9 -4.360 -1.674 -4.473
74 HG23 VAL 9 2HG2 VAL 9 -3.214 -0.532 -3.759
75 H TYR 10 H TYR 10 -2.582 0.413 -0.986
76 HA TYR 10 HA TYR 10 -0.129 1.248 -2.444
77 HB2 TYR 10 2HB TYR 10 -2.290 2.707 -2.124
78 HB3 TYR 10 1HB TYR 10 -1.822 2.912 -0.444
79 HD1 TYR 10 HD1 TYR 10 -0.589 3.495 -3.981
80 HD2 TYR 10 HD2 TYR 10 -0.268 4.671 0.147
81 HE1 TYR 10 HE1 TYR 10 0.799 5.418 -4.627
82 HE2 TYR 10 HE2 TYR 10 1.108 6.593 -0.515
83 HH TYR 10 HH TYR 10 1.937 7.193 -3.930
84 H HIS 11 H HIS 11 -0.876 0.777 1.047
85 HA HIS 11 HA HIS 11 1.744 1.760 2.009
86 HB2 HIS 11 1HB HIS 11 -0.569 0.198 3.315
87 HB3 HIS 11 2HB HIS 11 0.953 0.294 4.143
88 HD2 HIS 11 HD2 HIS 11 -1.405 3.011 2.414
89 HE1 HIS 11 HE1 HIS 11 -0.120 4.533 6.061
90 HE2 HIS 11 HE2 HIS 11 -1.615 5.083 4.043
91 H ILE 12 H ILE 12 0.625 -1.520 1.122
92 HA ILE 12 HA ILE 12 3.056 -2.916 2.054
93 HB ILE 12 HB ILE 12 0.981 -3.753 -0.052
94 HG12 ILE 12 2HG1 ILE 12 1.364 -4.772 2.845
95 HG13 ILE 12 1HG1 ILE 12 0.197 -3.526 2.396
96 HG21 ILE 12 1HG2 ILE 12 1.899 -6.086 0.104
97 HG22 ILE 12 2HG2 ILE 12 3.202 -5.519 1.178
98 HG23 ILE 12 3HG2 ILE 12 3.118 -4.981 -0.517
99 HD11 ILE 12 3HD1 ILE 12 -1.008 -5.148 0.879
100 HD12 ILE 12 1HD1 ILE 12 0.101 -6.443 1.407
101 HD13 ILE 12 2HD1 ILE 12 -0.966 -5.663 2.584
102 H LEU 13 H LEU 13 2.144 -1.547 -1.149
103 HA LEU 13 HA LEU 13 4.684 -2.158 -2.480
104 HB2 LEU 13 1HB LEU 13 2.544 -0.017 -3.106
105 HB3 LEU 13 2HB LEU 13 3.888 -0.310 -4.183
106 HG LEU 13 HG LEU 13 1.831 -2.482 -3.443
107 HD11 LEU 13 3HD2 LEU 13 1.912 -0.703 -5.964
108 HD12 LEU 13 1HD2 LEU 13 0.780 -2.043 -5.648
109 HD13 LEU 13 2HD2 LEU 13 0.724 -0.586 -4.642
110 HD21 LEU 13 1HD1 LEU 13 3.954 -2.424 -5.695
111 HD22 LEU 13 2HD1 LEU 13 3.999 -3.456 -4.245
112 HD23 LEU 13 3HD1 LEU 13 2.726 -3.692 -5.454
113 H LYS 14 H LYS 14 3.593 1.026 -0.984
114 HA LYS 14 HA LYS 14 6.016 2.409 -1.352
115 HB2 LYS 14 2HB LYS 14 3.981 2.690 0.907
116 HB3 LYS 14 1HB LYS 14 5.341 3.769 0.757
117 HG2 LYS 14 1HG LYS 14 3.162 3.405 -1.376
118 HG3 LYS 14 2HG LYS 14 3.257 4.704 -0.211
119 HD2 LYS 14 2HD LYS 14 5.262 4.188 -2.498
120 HD3 LYS 14 1HD LYS 14 3.978 5.380 -2.486
121 HE2 LYS 14 1HE LYS 14 5.084 6.582 -0.533
122 HE3 LYS 14 2HE LYS 14 6.406 5.405 -0.566
123 HZ1 LYS 14 2HZ LYS 14 5.647 7.167 -2.828
124 HZ3 LYS 14 1HZ LYS 14 6.865 6.077 -2.854
125 H HIS 15 H HIS 15 5.371 0.199 1.345
126 HA HIS 15 HA HIS 15 7.847 0.858 2.856
127 HB2 HIS 15 1HB HIS 15 5.794 0.040 3.986
128 HB3 HIS 15 2HB HIS 15 5.903 -1.503 3.164
129 HD2 HIS 15 HD2 HIS 15 7.678 -3.299 4.104
130 HE1 HIS 15 HE1 HIS 15 9.019 -1.120 7.386
131 HE2 HIS 15 HE2 HIS 15 9.093 -3.473 6.348
132 H ILE 16 H ILE 16 6.974 -1.861 0.732
133 HA ILE 16 HA ILE 16 9.645 -3.148 0.952
134 HB ILE 16 HB ILE 16 7.409 -3.825 -1.041
135 HG12 ILE 16 2HG1 ILE 16 8.211 -5.378 1.511
136 HG13 ILE 16 1HG1 ILE 16 6.934 -4.165 1.549
137 HG21 ILE 16 1HG2 ILE 16 9.959 -5.429 -0.351
138 HG22 ILE 16 2HG2 ILE 16 9.607 -4.636 -1.903
139 HG23 ILE 16 3HG2 ILE 16 8.621 -5.998 -1.380
140 HD11 ILE 16 3HD1 ILE 16 6.840 -6.737 -0.141
141 HD12 ILE 16 1HD1 ILE 16 5.886 -6.342 1.303
142 HD13 ILE 16 2HD1 ILE 16 5.622 -5.436 -0.204
143 H LYS 17 H LYS 17 8.122 -1.411 -1.887
144 HA LYS 17 HA LYS 17 10.655 -1.471 -3.388
145 HB2 LYS 17 2HB LYS 17 8.443 -1.500 -4.509
146 HB3 LYS 17 1HB LYS 17 8.054 0.092 -3.902
147 HG2 LYS 17 2HG LYS 17 8.636 0.144 -6.279
148 HG3 LYS 17 1HG LYS 17 9.696 1.175 -5.360
149 HD2 LYS 17 2HD LYS 17 11.030 0.040 -7.036
150 HD3 LYS 17 1HD LYS 17 11.523 -0.558 -5.471
151 HE2 LYS 17 1HE LYS 17 11.470 -2.450 -6.970
152 HE3 LYS 17 2HE LYS 17 10.137 -2.677 -5.845
153 HZ1 LYS 17 2HZ LYS 17 9.513 -3.131 -8.125
154 HZ3 LYS 17 1HZ LYS 17 9.932 -1.630 -8.619
155 H ASP 18 H ASP 18 8.911 1.409 -2.005
156 HA ASP 18 HA ASP 18 11.289 3.122 -2.415
157 HB2 ASP 18 2HB ASP 18 8.857 3.912 -2.506
158 HB3 ASP 18 1HB ASP 18 8.798 3.838 -0.759
159 HD2 ASP 18 HD2 ASP 18 9.858 5.240 0.371
160 H GLY 19 H GLY 19 10.123 1.350 0.510
161 HA2 GLY 19 1HA GLY 19 12.021 2.735 2.356
162 HA3 GLY 19 2HA GLY 19 11.026 1.355 2.735
163 H LYS 20 H LYS 20 11.804 -0.691 1.174
164 HA LYS 20 HA LYS 20 14.622 -1.225 2.150
165 HB2 LYS 20 1HB LYS 20 12.369 -3.051 1.142
166 HB3 LYS 20 2HB LYS 20 14.028 -3.625 1.163
167 HG2 LYS 20 1HG LYS 20 12.920 -4.406 3.106
168 HG3 LYS 20 2HG LYS 20 14.231 -3.366 3.589
169 HD2 LYS 20 2HD LYS 20 11.391 -2.189 3.421
170 HD3 LYS 20 1HD LYS 20 11.750 -3.318 4.714
171 HE2 LYS 20 2HE LYS 20 13.592 -1.921 5.598
172 HE3 LYS 20 1HE LYS 20 13.460 -0.786 4.257
173 HZ1 LYS 20 2HZ LYS 20 11.196 -0.281 4.980
174 HZ3 LYS 20 1HZ LYS 20 11.318 -1.328 6.230
175 HN1 NH2 21 2HN NH2 21 14.583 -1.523 -1.994
176 HN2 NH2 21 1HN NH2 21 13.083 -2.035 -1.069
Start of MODEL 20
1 H1 ACE 1 3HA ACE 1 -16.605 -0.177 3.675
2 H2 ACE 1 1HA ACE 1 -15.155 0.818 3.346
3 H3 ACE 1 2HA ACE 1 -14.982 -0.823 4.016
4 H ASN 1 H ASN 1 -16.740 0.671 1.319
5 HA ASN 1 HA ASN 1 -16.026 -1.651 -0.533
6 HB2 ASN 1 1HB ASN 1 -18.140 0.567 -0.842
7 HB3 ASN 1 2HB ASN 1 -17.771 -0.609 -2.080
8 HD21 ASN 1 1HD2 ASN 1 -18.317 -2.849 -1.707
9 HD22 ASN 1 2HD2 ASN 1 -19.583 -3.280 -0.450
10 H GLU 2 H GLU 2 -14.711 -1.320 -2.198
11 HA GLU 2 HA GLU 2 -12.771 -0.660 -3.237
12 HB2 GLU 2 2HB GLU 2 -14.904 0.265 -4.440
13 HB3 GLU 2 1HB GLU 2 -14.489 1.836 -3.793
14 HG2 GLU 2 1HG GLU 2 -12.270 1.773 -5.044
15 HG3 GLU 2 2HG GLU 2 -12.657 0.168 -5.656
16 HE2 GLU 2 HE2 GLU 2 -14.281 -0.065 -7.019
17 H VAL 3 H VAL 3 -13.573 1.831 -0.924
18 HA VAL 3 HA VAL 3 -10.972 3.251 -1.176
19 HB VAL 3 HB VAL 3 -13.114 3.450 1.029
20 HG11 VAL 3 3HG2 VAL 3 -10.935 4.324 1.852
21 HG12 VAL 3 1HG2 VAL 3 -10.775 5.364 0.413
22 HG13 VAL 3 2HG2 VAL 3 -12.078 5.655 1.604
23 HG21 VAL 3 1HG1 VAL 3 -13.856 5.573 -0.068
24 HG22 VAL 3 2HG1 VAL 3 -12.719 5.295 -1.418
25 HG23 VAL 3 3HG1 VAL 3 -14.091 4.191 -1.145
26 H SER 4 H SER 4 -12.363 1.295 1.440
27 HA SER 4 HA SER 4 -10.041 0.867 3.012
28 HB2 SER 4 1HB SER 4 -12.288 -1.183 2.611
29 HB3 SER 4 2HB SER 4 -11.062 -1.259 3.880
30 HG SER 4 HG SER 4 -11.727 0.811 4.562
31 H GLU 5 H GLU 5 -11.068 -1.507 0.522
32 HA GLU 5 HA GLU 5 -8.790 -3.148 0.521
33 HB2 GLU 5 1HB GLU 5 -9.372 -4.004 -1.688
34 HB3 GLU 5 2HB GLU 5 -10.699 -3.939 -0.553
35 HG2 GLU 5 2HG GLU 5 -11.584 -1.857 -1.705
36 HG3 GLU 5 1HG GLU 5 -10.267 -1.956 -2.886
37 HE2 GLU 5 HE2 GLU 5 -13.105 -3.291 -1.714
38 H ARG 6 H ARG 6 -9.116 -0.314 -1.626
39 HA ARG 6 HA ARG 6 -6.460 -0.688 -2.851
40 HB2 ARG 6 1HB ARG 6 -8.513 0.609 -3.864
41 HB3 ARG 6 2HB ARG 6 -8.140 1.930 -2.759
42 HG2 ARG 6 2HG ARG 6 -5.842 2.152 -3.851
43 HG3 ARG 6 1HG ARG 6 -6.275 0.862 -4.990
44 HD2 ARG 6 2HD ARG 6 -8.237 2.272 -5.822
45 HD3 ARG 6 1HD ARG 6 -7.780 3.543 -4.701
46 HH11 ARG 6 1HH2 ARG 6 -7.419 1.251 -7.419
47 HH12 ARG 6 2HH2 ARG 6 -6.463 1.464 -8.970
48 HH21 ARG 6 2HH1 ARG 6 -4.835 4.282 -7.846
49 HH22 ARG 6 1HH1 ARG 6 -5.099 3.064 -9.193
50 H VAL 7 H VAL 7 -7.414 1.644 -0.209
51 HA VAL 7 HA VAL 7 -4.901 2.778 0.234
52 HB VAL 7 HB VAL 7 -7.054 2.114 2.309
53 HG11 VAL 7 1HG1 VAL 7 -4.653 4.023 2.658
54 HG12 VAL 7 2HG1 VAL 7 -4.957 2.529 3.578
55 HG13 VAL 7 3HG1 VAL 7 -6.056 3.905 3.758
56 HG21 VAL 7 3HG2 VAL 7 -7.781 3.707 0.466
57 HG22 VAL 7 1HG2 VAL 7 -6.412 4.771 0.844
58 HG23 VAL 7 2HG2 VAL 7 -7.710 4.513 2.038
59 H HIS 8 H HIS 8 -6.005 -0.317 1.816
60 HA HIS 8 HA HIS 8 -3.766 -1.087 3.220
61 HB2 HIS 8 2HB HIS 8 -6.173 -2.219 2.766
62 HB3 HIS 8 1HB HIS 8 -5.324 -3.154 1.563
63 HD2 HIS 8 HD2 HIS 8 -2.793 -4.167 2.667
64 HE1 HIS 8 HE1 HIS 8 -4.665 -5.167 6.256
65 HE2 HIS 8 HE2 HIS 8 -2.559 -5.678 4.866
66 H VAL 9 H VAL 9 -4.361 -1.886 -0.249
67 HA VAL 9 HA VAL 9 -1.802 -3.301 -0.600
68 HB VAL 9 HB VAL 9 -2.322 -3.618 -2.858
69 HG11 VAL 9 1HG1 VAL 9 -4.984 -3.931 -1.388
70 HG12 VAL 9 2HG1 VAL 9 -4.458 -4.818 -2.834
71 HG13 VAL 9 3HG1 VAL 9 -3.608 -5.053 -1.289
72 HG21 VAL 9 3HG2 VAL 9 -4.280 -2.718 -4.121
73 HG22 VAL 9 1HG2 VAL 9 -4.632 -1.641 -2.751
74 HG23 VAL 9 2HG2 VAL 9 -3.136 -1.436 -3.688
75 H TYR 10 H TYR 10 -2.705 0.088 -1.050
76 HA TYR 10 HA TYR 10 -0.287 0.841 -2.601
77 HB2 TYR 10 1HB TYR 10 -2.571 2.152 -2.530
78 HB3 TYR 10 2HB TYR 10 -2.118 2.702 -0.926
79 HD1 TYR 10 HD2 TYR 10 -1.200 2.853 -4.562
80 HD2 TYR 10 HD1 TYR 10 -0.415 4.485 -0.657
81 HE1 TYR 10 HE2 TYR 10 0.060 4.702 -5.578
82 HE2 TYR 10 HE1 TYR 10 0.840 6.328 -1.687
83 HH TYR 10 HH TYR 10 1.234 6.554 -5.223
84 H HIS 11 H HIS 11 -1.087 0.926 0.913
85 HA HIS 11 HA HIS 11 1.429 2.238 1.731
86 HB2 HIS 11 1HB HIS 11 -0.804 0.763 3.248
87 HB3 HIS 11 2HB HIS 11 0.687 1.094 4.071
88 HD2 HIS 11 HD2 HIS 11 -1.922 3.236 1.977
89 HE1 HIS 11 HE1 HIS 11 -0.553 5.590 5.118
90 HE2 HIS 11 HE2 HIS 11 -2.216 5.589 3.156
91 H ILE 12 H ILE 12 0.569 -1.225 1.427
92 HA ILE 12 HA ILE 12 3.069 -2.246 2.618
93 HB ILE 12 HB ILE 12 1.110 -3.607 0.680
94 HG12 ILE 12 2HG1 ILE 12 1.511 -4.048 3.716
95 HG13 ILE 12 1HG1 ILE 12 0.260 -3.004 3.036
96 HG21 ILE 12 1HG2 ILE 12 3.343 -4.728 0.453
97 HG22 ILE 12 2HG2 ILE 12 3.438 -4.945 2.218
98 HG23 ILE 12 3HG2 ILE 12 2.200 -5.794 1.258
99 HD11 ILE 12 3HD1 ILE 12 -0.738 -5.154 3.606
100 HD12 ILE 12 1HD1 ILE 12 0.413 -6.051 2.604
101 HD13 ILE 12 2HD1 ILE 12 -0.780 -4.969 1.834
102 H LEU 13 H LEU 13 2.143 -1.618 -0.816
103 HA LEU 13 HA LEU 13 4.770 -2.231 -1.954
104 HB2 LEU 13 1HB LEU 13 2.458 -0.469 -3.000
105 HB3 LEU 13 2HB LEU 13 3.875 -0.775 -3.973
106 HG LEU 13 HG LEU 13 2.045 -3.024 -2.929
107 HD11 LEU 13 1HD1 LEU 13 2.050 -1.672 -5.704
108 HD12 LEU 13 2HD1 LEU 13 1.082 -3.091 -5.231
109 HD13 LEU 13 3HD1 LEU 13 0.780 -1.520 -4.465
110 HD21 LEU 13 3HD2 LEU 13 4.346 -3.854 -3.492
111 HD22 LEU 13 1HD2 LEU 13 4.259 -3.085 -5.095
112 HD23 LEU 13 2HD2 LEU 13 3.171 -4.434 -4.683
113 H LYS 14 H LYS 14 3.377 1.015 -1.013
114 HA LYS 14 HA LYS 14 5.540 2.646 -1.704
115 HB2 LYS 14 1HB LYS 14 3.295 3.360 -0.879
116 HB3 LYS 14 2HB LYS 14 3.768 2.991 0.775
117 HG2 LYS 14 1HG LYS 14 5.595 4.752 0.612
118 HG3 LYS 14 2HG LYS 14 5.138 5.068 -1.064
119 HD2 LYS 14 1HD LYS 14 2.821 5.741 -0.303
120 HD3 LYS 14 2HD LYS 14 3.262 5.452 1.372
121 HE2 LYS 14 2HE LYS 14 4.631 7.536 -0.474
122 HE3 LYS 14 1HE LYS 14 3.306 7.894 0.632
123 HZ1 LYS 14 2HZ LYS 14 4.686 7.243 2.485
124 HZ3 LYS 14 1HZ LYS 14 5.388 8.443 1.626
125 H HIS 15 H HIS 15 5.266 0.923 1.383
126 HA HIS 15 HA HIS 15 7.747 1.961 2.624
127 HB2 HIS 15 1HB HIS 15 5.826 1.127 3.973
128 HB3 HIS 15 2HB HIS 15 6.054 -0.500 3.349
129 HD2 HIS 15 HD2 HIS 15 8.199 -1.916 4.291
130 HE1 HIS 15 HE1 HIS 15 9.174 0.674 7.403
131 HE2 HIS 15 HE2 HIS 15 9.642 -1.695 6.516
132 H ILE 16 H ILE 16 7.067 -1.020 0.824
133 HA ILE 16 HA ILE 16 9.755 -2.201 1.170
134 HB ILE 16 HB ILE 16 7.682 -2.921 -0.971
135 HG12 ILE 16 2HG1 ILE 16 8.330 -4.465 1.636
136 HG13 ILE 16 1HG1 ILE 16 7.035 -3.275 1.588
137 HG21 ILE 16 1HG2 ILE 16 9.958 -3.706 -1.654
138 HG22 ILE 16 2HG2 ILE 16 10.198 -4.483 -0.073
139 HG23 ILE 16 3HG2 ILE 16 8.958 -5.086 -1.200
140 HD11 ILE 16 3HD1 ILE 16 7.093 -5.847 -0.107
141 HD12 ILE 16 1HD1 ILE 16 6.043 -5.474 1.276
142 HD13 ILE 16 2HD1 ILE 16 5.857 -4.567 -0.243
143 H LYS 17 H LYS 17 8.341 -0.402 -1.656
144 HA LYS 17 HA LYS 17 10.811 -0.362 -3.219
145 HB2 LYS 17 2HB LYS 17 8.519 1.705 -3.315
146 HB3 LYS 17 1HB LYS 17 9.784 1.538 -4.509
147 HG2 LYS 17 2HG LYS 17 7.484 -0.450 -4.005
148 HG3 LYS 17 1HG LYS 17 7.721 0.632 -5.355
149 HD2 LYS 17 1HD LYS 17 9.821 -0.647 -6.038
150 HD3 LYS 17 2HD LYS 17 9.566 -1.739 -4.685
151 HE2 LYS 17 2HE LYS 17 8.723 -2.882 -6.610
152 HE3 LYS 17 1HE LYS 17 7.311 -2.433 -5.657
153 HZ1 LYS 17 2HZ LYS 17 7.022 -2.003 -8.010
154 HZ3 LYS 17 1HZ LYS 17 8.325 -1.018 -8.068
155 H ASP 18 H ASP 18 9.662 2.125 -0.860
156 HA ASP 18 HA ASP 18 11.987 3.868 -1.369
157 HB2 ASP 18 1HB ASP 18 11.314 5.249 0.481
158 HB3 ASP 18 2HB ASP 18 9.977 4.886 -0.572
159 HD2 ASP 18 HD2 ASP 18 8.072 4.463 2.208
160 H GLY 19 H GLY 19 11.570 1.216 0.959
161 HA2 GLY 19 2HA GLY 19 14.146 1.818 2.409
162 HA3 GLY 19 1HA GLY 19 13.074 0.470 2.712
163 H LYS 20 H LYS 20 13.074 -1.285 1.050
164 HA LYS 20 HA LYS 20 15.244 -1.599 -0.834
165 HB2 LYS 20 2HB LYS 20 16.634 -1.889 1.387
166 HB3 LYS 20 1HB LYS 20 15.754 -3.393 1.653
167 HG2 LYS 20 1HG LYS 20 16.601 -4.263 -0.581
168 HG3 LYS 20 2HG LYS 20 17.469 -2.747 -0.833
169 HD2 LYS 20 1HD LYS 20 18.820 -3.171 1.270
170 HD3 LYS 20 2HD LYS 20 17.949 -4.689 1.521
171 HE2 LYS 20 1HE LYS 20 18.830 -5.564 -0.700
172 HE3 LYS 20 2HE LYS 20 19.701 -4.044 -0.953
173 HZ1 LYS 20 2HZ LYS 20 20.931 -4.486 1.099
174 HZ3 LYS 20 1HZ LYS 20 20.127 -5.890 1.333
175 HN1 NH2 21 2HN NH2 21 14.122 -4.534 1.019
176 HN2 NH2 21 1HN NH2 21 12.628 -4.683 -0.032
Start of MODEL 21
1 H1 ACE 1 3HA ACE 1 -17.730 -1.369 -1.438
2 H2 ACE 1 1HA ACE 1 -17.352 -2.975 -2.120
3 H3 ACE 1 2HA ACE 1 -16.145 -1.665 -2.220
4 H ASN 1 H ASN 1 -15.410 -2.135 1.469
5 HA ASN 1 HA ASN 1 -16.497 0.157 -0.137
6 HB2 ASN 1 1HB ASN 1 -16.457 0.190 2.366
7 HB3 ASN 1 2HB ASN 1 -14.711 0.122 2.368
8 HD21 ASN 1 1HD2 ASN 1 -17.484 2.146 1.456
9 HD22 ASN 1 2HD2 ASN 1 -16.554 3.726 1.534
10 H GLU 2 H GLU 2 -15.470 0.794 -1.896
11 HA GLU 2 HA GLU 2 -13.001 0.120 -2.901
12 HB2 GLU 2 1HB GLU 2 -15.005 1.377 -4.049
13 HB3 GLU 2 2HB GLU 2 -14.301 2.866 -3.452
14 HG2 GLU 2 1HG GLU 2 -12.182 2.389 -4.798
15 HG3 GLU 2 2HG GLU 2 -12.882 0.870 -5.348
16 HE2 GLU 2 HE2 GLU 2 -13.082 4.236 -5.387
17 H VAL 3 H VAL 3 -13.399 2.928 -0.764
18 HA VAL 3 HA VAL 3 -10.658 3.977 -1.144
19 HB VAL 3 HB VAL 3 -12.659 4.555 1.129
20 HG11 VAL 3 1HG1 VAL 3 -10.170 6.155 0.259
21 HG12 VAL 3 2HG1 VAL 3 -11.360 6.661 1.495
22 HG13 VAL 3 3HG1 VAL 3 -10.351 5.231 1.773
23 HG21 VAL 3 3HG2 VAL 3 -12.214 6.172 -1.465
24 HG22 VAL 3 1HG2 VAL 3 -13.677 5.251 -1.037
25 HG23 VAL 3 2HG2 VAL 3 -13.230 6.673 -0.084
26 H SER 4 H SER 4 -12.187 2.312 1.593
27 HA SER 4 HA SER 4 -9.932 1.675 3.172
28 HB2 SER 4 1HB SER 4 -12.341 -0.193 2.778
29 HB3 SER 4 2HB SER 4 -11.175 -0.286 4.099
30 HG SER 4 HG SER 4 -11.734 1.855 4.655
31 H GLU 5 H GLU 5 -11.182 -0.659 0.746
32 HA GLU 5 HA GLU 5 -9.066 -2.506 0.799
33 HB2 GLU 5 1HB GLU 5 -9.728 -3.416 -1.342
34 HB3 GLU 5 2HB GLU 5 -11.080 -3.105 -0.288
35 HG2 GLU 5 1HG GLU 5 -11.458 -0.921 -1.686
36 HG3 GLU 5 2HG GLU 5 -10.240 -1.529 -2.809
37 HE2 GLU 5 HE2 GLU 5 -13.228 -2.138 -1.308
38 H ARG 6 H ARG 6 -9.093 0.320 -1.373
39 HA ARG 6 HA ARG 6 -6.481 -0.346 -2.584
40 HB2 ARG 6 2HB ARG 6 -8.372 1.153 -3.653
41 HB3 ARG 6 1HB ARG 6 -7.839 2.444 -2.580
42 HG2 ARG 6 2HG ARG 6 -5.464 2.157 -3.638
43 HG3 ARG 6 1HG ARG 6 -6.198 1.057 -4.816
44 HD2 ARG 6 1HD ARG 6 -7.720 2.913 -5.605
45 HD3 ARG 6 2HD ARG 6 -7.042 4.019 -4.420
46 HH11 ARG 6 1HH2 ARG 6 -5.061 4.605 -3.831
47 HH12 ARG 6 2HH2 ARG 6 -3.521 5.336 -4.508
48 HH21 ARG 6 1HH1 ARG 6 -4.005 4.013 -7.649
49 HH22 ARG 6 2HH1 ARG 6 -2.966 5.022 -6.523
50 H VAL 7 H VAL 7 -7.268 2.104 0.001
51 HA VAL 7 HA VAL 7 -4.686 3.056 0.483
52 HB VAL 7 HB VAL 7 -6.966 2.574 2.467
53 HG11 VAL 7 1HG1 VAL 7 -5.885 4.217 4.019
54 HG12 VAL 7 2HG1 VAL 7 -4.923 2.739 3.869
55 HG13 VAL 7 3HG1 VAL 7 -4.411 4.214 3.011
56 HG21 VAL 7 3HG2 VAL 7 -5.958 5.195 1.151
57 HG22 VAL 7 1HG2 VAL 7 -7.384 5.008 2.204
58 HG23 VAL 7 2HG2 VAL 7 -7.367 4.279 0.592
59 H HIS 8 H HIS 8 -6.015 0.081 2.121
60 HA HIS 8 HA HIS 8 -3.809 -0.819 3.500
61 HB2 HIS 8 1HB HIS 8 -6.310 -1.769 3.142
62 HB3 HIS 8 2HB HIS 8 -5.573 -2.808 1.952
63 HD2 HIS 8 HD2 HIS 8 -3.045 -3.929 3.080
64 HE1 HIS 8 HE1 HIS 8 -4.991 -4.753 6.675
65 HE2 HIS 8 HE2 HIS 8 -2.905 -5.399 5.311
66 H VAL 9 H VAL 9 -4.544 -1.684 0.071
67 HA VAL 9 HA VAL 9 -2.121 -3.325 -0.261
68 HB VAL 9 HB VAL 9 -2.714 -3.731 -2.471
69 HG11 VAL 9 3HG2 VAL 9 -5.395 -3.652 -1.001
70 HG12 VAL 9 1HG2 VAL 9 -4.143 -4.902 -0.800
71 HG13 VAL 9 2HG2 VAL 9 -4.956 -4.698 -2.369
72 HG21 VAL 9 1HG1 VAL 9 -4.765 -1.482 -2.491
73 HG22 VAL 9 2HG1 VAL 9 -3.281 -1.554 -3.463
74 HG23 VAL 9 3HG1 VAL 9 -4.595 -2.699 -3.778
75 H TYR 10 H TYR 10 -2.742 0.103 -0.850
76 HA TYR 10 HA TYR 10 -0.311 0.569 -2.494
77 HB2 TYR 10 2HB TYR 10 -2.462 2.085 -2.470
78 HB3 TYR 10 1HB TYR 10 -1.946 2.668 -0.899
79 HD1 TYR 10 HD1 TYR 10 0.059 4.178 -0.709
80 HD2 TYR 10 HD2 TYR 10 -1.183 2.682 -4.550
81 HE1 TYR 10 HE1 TYR 10 1.519 5.808 -1.822
82 HE2 TYR 10 HE2 TYR 10 0.274 4.327 -5.650
83 HH TYR 10 HH TYR 10 1.746 5.972 -5.375
84 H HIS 11 H HIS 11 -1.044 1.010 1.027
85 HA HIS 11 HA HIS 11 1.603 2.066 1.720
86 HB2 HIS 11 1HB HIS 11 -0.731 0.914 3.349
87 HB3 HIS 11 2HB HIS 11 0.809 1.081 4.133
88 HD2 HIS 11 HD2 HIS 11 -1.604 3.430 2.052
89 HE1 HIS 11 HE1 HIS 11 0.269 5.766 4.939
90 HE2 HIS 11 HE2 HIS 11 -1.511 5.871 3.084
91 H ILE 12 H ILE 12 0.486 -1.326 1.606
92 HA ILE 12 HA ILE 12 2.929 -2.458 2.822
93 HB ILE 12 HB ILE 12 0.853 -3.779 0.981
94 HG12 ILE 12 2HG1 ILE 12 1.253 -4.082 4.034
95 HG13 ILE 12 1HG1 ILE 12 0.074 -2.988 3.307
96 HG21 ILE 12 1HG2 ILE 12 3.006 -5.062 0.807
97 HG22 ILE 12 2HG2 ILE 12 3.093 -5.192 2.582
98 HG23 ILE 12 3HG2 ILE 12 1.793 -6.001 1.669
99 HD11 ILE 12 3HD1 ILE 12 -1.120 -4.932 2.222
100 HD12 ILE 12 1HD1 ILE 12 -1.068 -5.030 4.001
101 HD13 ILE 12 2HD1 ILE 12 0.002 -6.057 3.035
102 H LEU 13 H LEU 13 1.989 -1.937 -0.622
103 HA LEU 13 HA LEU 13 4.556 -2.787 -1.759
104 HB2 LEU 13 1HB LEU 13 2.334 -0.958 -2.887
105 HB3 LEU 13 2HB LEU 13 3.697 -1.444 -3.863
106 HG LEU 13 HG LEU 13 1.737 -3.462 -2.607
107 HD11 LEU 13 1HD1 LEU 13 0.546 -1.981 -4.224
108 HD12 LEU 13 2HD1 LEU 13 0.700 -3.627 -4.867
109 HD13 LEU 13 3HD1 LEU 13 1.760 -2.332 -5.480
110 HD21 LEU 13 3HD2 LEU 13 2.707 -5.082 -4.268
111 HD22 LEU 13 1HD2 LEU 13 3.877 -3.852 -4.811
112 HD23 LEU 13 2HD2 LEU 13 3.956 -4.500 -3.154
113 H LYS 14 H LYS 14 3.339 0.598 -1.058
114 HA LYS 14 HA LYS 14 5.561 2.044 -1.916
115 HB2 LYS 14 1HB LYS 14 3.305 2.898 -1.130
116 HB3 LYS 14 2HB LYS 14 3.839 2.712 0.526
117 HG2 LYS 14 2HG LYS 14 4.055 5.005 -0.000
118 HG3 LYS 14 1HG LYS 14 5.708 4.409 0.044
119 HD2 LYS 14 2HD LYS 14 5.702 4.284 -2.507
120 HD3 LYS 14 1HD LYS 14 4.034 4.863 -2.523
121 HE2 LYS 14 2HE LYS 14 4.760 7.030 -1.425
122 HE3 LYS 14 1HE LYS 14 6.433 6.452 -1.375
123 HZ1 LYS 14 2HZ LYS 14 6.378 6.288 -3.802
124 HZ3 LYS 14 1HZ LYS 14 4.834 6.822 -3.849
125 H HIS 15 H HIS 15 5.256 0.559 1.283
126 HA HIS 15 HA HIS 15 7.737 1.680 2.467
127 HB2 HIS 15 2HB HIS 15 5.800 0.940 3.860
128 HB3 HIS 15 1HB HIS 15 6.033 -0.723 3.352
129 HD2 HIS 15 HD2 HIS 15 8.205 -2.056 4.379
130 HE1 HIS 15 HE1 HIS 15 9.126 0.731 7.334
131 HE2 HIS 15 HE2 HIS 15 9.633 -1.680 6.592
132 H ILE 16 H ILE 16 7.032 -1.379 0.822
133 HA ILE 16 HA ILE 16 9.713 -2.567 1.239
134 HB ILE 16 HB ILE 16 7.615 -3.411 -0.832
135 HG12 ILE 16 2HG1 ILE 16 8.240 -4.761 1.885
136 HG13 ILE 16 1HG1 ILE 16 6.957 -3.566 1.744
137 HG21 ILE 16 1HG2 ILE 16 9.884 -4.274 -1.446
138 HG22 ILE 16 2HG2 ILE 16 10.102 -4.942 0.188
139 HG23 ILE 16 3HG2 ILE 16 8.857 -5.601 -0.902
140 HD11 ILE 16 3HD1 ILE 16 6.986 -6.259 0.250
141 HD12 ILE 16 1HD1 ILE 16 5.940 -5.769 1.599
142 HD13 ILE 16 2HD1 ILE 16 5.765 -4.979 0.015
143 H LYS 17 H LYS 17 8.271 -0.942 -1.687
144 HA LYS 17 HA LYS 17 10.746 -1.078 -3.232
145 HB2 LYS 17 1HB LYS 17 9.735 0.276 -4.900
146 HB3 LYS 17 2HB LYS 17 8.571 -0.881 -4.312
147 HG2 LYS 17 2HG LYS 17 7.498 1.037 -2.910
148 HG3 LYS 17 1HG LYS 17 8.662 2.123 -3.638
149 HD2 LYS 17 1HD LYS 17 6.814 2.513 -4.938
150 HD3 LYS 17 2HD LYS 17 7.727 1.445 -5.975
151 HE2 LYS 17 1HE LYS 17 5.331 0.601 -4.184
152 HE3 LYS 17 2HE LYS 17 5.202 1.055 -5.875
153 HZ1 LYS 17 2HZ LYS 17 6.574 -0.812 -6.484
154 HZ3 LYS 17 1HZ LYS 17 5.251 -1.299 -5.657
155 H ASP 18 H ASP 18 9.530 1.615 -1.209
156 HA ASP 18 HA ASP 18 11.797 3.415 -1.906
157 HB2 ASP 18 2HB ASP 18 9.680 3.654 0.317
158 HB3 ASP 18 1HB ASP 18 10.926 4.848 0.031
159 HD2 ASP 18 HD2 ASP 18 9.510 6.297 -2.733
160 H GLY 19 H GLY 19 11.081 1.466 1.048
161 HA2 GLY 19 1HA GLY 19 13.541 2.198 2.492
162 HA3 GLY 19 2HA GLY 19 12.495 0.846 2.873
163 H LYS 20 H LYS 20 12.679 -1.040 1.202
164 HA LYS 20 HA LYS 20 15.566 -1.859 1.090
165 HB2 LYS 20 2HB LYS 20 12.949 -3.383 0.501
166 HB3 LYS 20 1HB LYS 20 14.511 -4.050 0.043
167 HG2 LYS 20 2HG LYS 20 14.025 -5.060 2.085
168 HG3 LYS 20 1HG LYS 20 15.305 -3.913 2.440
169 HD2 LYS 20 1HD LYS 20 13.593 -2.327 3.457
170 HD3 LYS 20 2HD LYS 20 12.303 -3.419 2.979
171 HE2 LYS 20 1HE LYS 20 12.669 -3.785 5.323
172 HE3 LYS 20 2HE LYS 20 13.274 -5.223 4.505
173 HZ1 LYS 20 2HZ LYS 20 15.520 -4.347 4.740
174 HZ3 LYS 20 1HZ LYS 20 14.789 -4.490 6.195
175 HN1 NH2 21 2HN NH2 21 14.283 -1.507 -2.854
176 HN2 NH2 21 1HN NH2 21 13.063 -2.020 -1.583
Start of MODEL 22
1 H1 ACE 1 3HA ACE 1 -15.336 -1.255 4.360
2 H2 ACE 1 1HA ACE 1 -14.716 0.312 3.786
3 H3 ACE 1 2HA ACE 1 -16.460 0.107 4.124
4 H ASN 1 H ASN 1 -15.971 1.097 1.777
5 HA ASN 1 HA ASN 1 -16.015 -1.135 -0.334
6 HB2 ASN 1 1HB ASN 1 -18.043 1.184 -0.131
7 HB3 ASN 1 2HB ASN 1 -17.861 0.155 -1.532
8 HD21 ASN 1 1HD2 ASN 1 -18.276 -2.192 -1.225
9 HD22 ASN 1 2HD2 ASN 1 -19.550 -2.675 0.007
10 H GLU 2 H GLU 2 -14.849 -0.594 -2.053
11 HA GLU 2 HA GLU 2 -12.975 0.148 -3.151
12 HB2 GLU 2 1HB GLU 2 -15.150 1.330 -4.000
13 HB3 GLU 2 2HB GLU 2 -14.606 2.762 -3.156
14 HG2 GLU 2 2HG GLU 2 -12.495 2.814 -4.593
15 HG3 GLU 2 1HG GLU 2 -13.025 1.348 -5.412
16 HE2 GLU 2 HE2 GLU 2 -13.632 4.611 -4.815
17 H VAL 3 H VAL 3 -13.496 2.345 -0.480
18 HA VAL 3 HA VAL 3 -10.818 3.632 -0.693
19 HB VAL 3 HB VAL 3 -12.841 3.683 1.629
20 HG11 VAL 3 1HG1 VAL 3 -10.564 4.300 2.429
21 HG12 VAL 3 2HG1 VAL 3 -10.409 5.513 1.131
22 HG13 VAL 3 3HG1 VAL 3 -11.628 5.718 2.424
23 HG21 VAL 3 3HG2 VAL 3 -12.425 5.795 -0.588
24 HG22 VAL 3 1HG2 VAL 3 -13.480 5.973 0.843
25 HG23 VAL 3 2HG2 VAL 3 -13.858 4.757 -0.383
26 H SER 4 H SER 4 -12.230 1.456 1.736
27 HA SER 4 HA SER 4 -9.906 0.646 3.115
28 HB2 SER 4 2HB SER 4 -11.052 -1.402 3.838
29 HB3 SER 4 1HB SER 4 -12.115 -0.002 3.885
30 HG SER 4 HG SER 4 -11.998 -1.953 1.821
31 H GLU 5 H GLU 5 -11.143 -1.287 0.357
32 HA GLU 5 HA GLU 5 -8.969 -3.030 0.048
33 HB2 GLU 5 1HB GLU 5 -9.667 -3.522 -2.244
34 HB3 GLU 5 2HB GLU 5 -10.947 -3.563 -1.055
35 HG2 GLU 5 2HG GLU 5 -11.769 -1.309 -1.852
36 HG3 GLU 5 1HG GLU 5 -10.497 -1.270 -3.084
37 HE2 GLU 5 HE2 GLU 5 -10.489 -2.814 -4.603
38 H ARG 6 H ARG 6 -9.187 0.085 -1.686
39 HA ARG 6 HA ARG 6 -6.586 -0.264 -3.034
40 HB2 ARG 6 1HB ARG 6 -8.583 1.266 -3.801
41 HB3 ARG 6 2HB ARG 6 -8.109 2.404 -2.543
42 HG2 ARG 6 2HG ARG 6 -5.827 2.642 -3.665
43 HG3 ARG 6 1HG ARG 6 -6.363 1.544 -4.954
44 HD2 ARG 6 1HD ARG 6 -8.240 3.149 -5.538
45 HD3 ARG 6 2HD ARG 6 -7.700 4.249 -4.257
46 HH11 ARG 6 2HH1 ARG 6 -8.536 5.420 -6.135
47 HH12 ARG 6 1HH1 ARG 6 -7.870 6.569 -7.400
48 HH21 ARG 6 1HH2 ARG 6 -4.762 5.084 -7.436
49 HH22 ARG 6 2HH2 ARG 6 -5.876 6.389 -8.086
50 H VAL 7 H VAL 7 -7.341 1.744 -0.077
51 HA VAL 7 HA VAL 7 -4.755 2.664 0.439
52 HB VAL 7 HB VAL 7 -6.883 1.843 2.485
53 HG11 VAL 7 3HG2 VAL 7 -4.395 3.607 2.971
54 HG12 VAL 7 1HG2 VAL 7 -4.703 2.011 3.697
55 HG13 VAL 7 2HG2 VAL 7 -5.752 3.377 4.110
56 HG21 VAL 7 1HG1 VAL 7 -6.164 4.635 1.342
57 HG22 VAL 7 2HG1 VAL 7 -7.431 4.283 2.545
58 HG23 VAL 7 3HG1 VAL 7 -7.595 3.690 0.887
59 H HIS 8 H HIS 8 -6.012 -0.553 1.617
60 HA HIS 8 HA HIS 8 -3.791 -1.628 2.839
61 HB2 HIS 8 2HB HIS 8 -6.251 -2.580 2.317
62 HB3 HIS 8 1HB HIS 8 -5.480 -3.384 0.974
63 HD2 HIS 8 HD2 HIS 8 -2.873 -4.529 1.945
64 HE1 HIS 8 HE1 HIS 8 -4.805 -6.068 5.304
65 HE2 HIS 8 HE2 HIS 8 -2.663 -6.342 3.901
66 H VAL 9 H VAL 9 -4.513 -1.934 -0.687
67 HA VAL 9 HA VAL 9 -2.050 -3.415 -1.297
68 HB VAL 9 HB VAL 9 -2.631 -3.396 -3.564
69 HG11 VAL 9 3HG2 VAL 9 -3.964 -4.951 -2.155
70 HG12 VAL 9 1HG2 VAL 9 -5.274 -3.752 -2.070
71 HG13 VAL 9 2HG2 VAL 9 -4.831 -4.471 -3.632
72 HG21 VAL 9 1HG1 VAL 9 -4.820 -1.327 -3.144
73 HG22 VAL 9 2HG1 VAL 9 -3.333 -1.087 -4.087
74 HG23 VAL 9 3HG1 VAL 9 -4.557 -2.238 -4.647
75 H TYR 10 H TYR 10 -2.755 0.060 -1.299
76 HA TYR 10 HA TYR 10 -0.314 0.850 -2.794
77 HB2 TYR 10 1HB TYR 10 -2.517 2.270 -2.505
78 HB3 TYR 10 2HB TYR 10 -1.996 2.596 -0.861
79 HD1 TYR 10 HD2 TYR 10 -1.128 3.103 -4.481
80 HD2 TYR 10 HD1 TYR 10 -0.214 4.261 -0.436
81 HE1 TYR 10 HE2 TYR 10 0.205 4.992 -5.313
82 HE2 TYR 10 HE1 TYR 10 1.109 6.149 -1.285
83 HH TYR 10 HH TYR 10 1.850 7.229 -3.075
84 H HIS 11 H HIS 11 -1.043 0.487 0.708
85 HA HIS 11 HA HIS 11 1.546 1.580 1.647
86 HB2 HIS 11 2HB HIS 11 -0.729 0.015 3.001
87 HB3 HIS 11 1HB HIS 11 0.785 0.199 3.831
88 HD2 HIS 11 HD2 HIS 11 -1.611 2.783 1.944
89 HE1 HIS 11 HE1 HIS 11 -0.479 4.458 5.574
90 HE2 HIS 11 HE2 HIS 11 -1.923 4.901 3.493
91 H ILE 12 H ILE 12 0.530 -1.727 0.770
92 HA ILE 12 HA ILE 12 2.899 -3.096 1.865
93 HB ILE 12 HB ILE 12 0.971 -3.959 -0.366
94 HG12 ILE 12 2HG1 ILE 12 1.202 -5.004 2.534
95 HG13 ILE 12 1HG1 ILE 12 0.064 -3.747 2.049
96 HG21 ILE 12 1HG2 ILE 12 1.907 -6.276 -0.172
97 HG22 ILE 12 2HG2 ILE 12 3.134 -5.705 0.989
98 HG23 ILE 12 3HG2 ILE 12 3.155 -5.157 -0.706
99 HD11 ILE 12 3HD1 ILE 12 -1.095 -5.908 2.139
100 HD12 ILE 12 1HD1 ILE 12 0.015 -6.636 0.970
101 HD13 ILE 12 2HD1 ILE 12 -1.082 -5.325 0.455
102 H LEU 13 H LEU 13 2.218 -1.851 -1.468
103 HA LEU 13 HA LEU 13 4.936 -2.414 -2.469
104 HB2 LEU 13 1HB LEU 13 2.634 -0.689 -3.582
105 HB3 LEU 13 2HB LEU 13 4.213 -0.648 -4.321
106 HG LEU 13 HG LEU 13 4.157 -3.150 -4.680
107 HD11 LEU 13 1HD1 LEU 13 1.911 -4.306 -4.737
108 HD12 LEU 13 2HD1 LEU 13 2.393 -3.907 -3.086
109 HD13 LEU 13 3HD1 LEU 13 1.167 -2.913 -3.914
110 HD21 LEU 13 3HD2 LEU 13 1.955 -1.487 -6.069
111 HD22 LEU 13 1HD2 LEU 13 3.683 -1.507 -6.500
112 HD23 LEU 13 2HD2 LEU 13 2.707 -2.972 -6.706
113 H LYS 14 H LYS 14 3.468 0.703 -1.219
114 HA LYS 14 HA LYS 14 5.679 2.381 -1.547
115 HB2 LYS 14 1HB LYS 14 3.381 3.007 -0.772
116 HB3 LYS 14 2HB LYS 14 3.764 2.433 0.846
117 HG2 LYS 14 2HG LYS 14 5.624 4.182 0.973
118 HG3 LYS 14 1HG LYS 14 5.215 4.715 -0.658
119 HD2 LYS 14 1HD LYS 14 2.871 5.283 0.138
120 HD3 LYS 14 2HD LYS 14 3.296 4.801 1.772
121 HE2 LYS 14 2HE LYS 14 4.670 7.089 0.190
122 HE3 LYS 14 1HE LYS 14 3.348 7.311 1.332
123 HZ1 LYS 14 2HZ LYS 14 4.755 6.385 3.079
124 HZ3 LYS 14 1HZ LYS 14 5.993 6.172 2.034
125 H HIS 15 H HIS 15 5.208 0.203 1.207
126 HA HIS 15 HA HIS 15 7.565 1.053 2.794
127 HB2 HIS 15 1HB HIS 15 5.571 -0.032 3.830
128 HB3 HIS 15 2HB HIS 15 5.892 -1.523 2.959
129 HD2 HIS 15 HD2 HIS 15 8.041 -3.025 3.788
130 HE1 HIS 15 HE1 HIS 15 8.644 -1.034 7.396
131 HE2 HIS 15 HE2 HIS 15 9.292 -3.179 6.131
132 H ILE 16 H ILE 16 7.094 -1.534 0.422
133 HA ILE 16 HA ILE 16 9.777 -2.743 0.749
134 HB ILE 16 HB ILE 16 7.862 -3.087 -1.623
135 HG12 ILE 16 2HG1 ILE 16 8.346 -5.059 0.714
136 HG13 ILE 16 1HG1 ILE 16 7.041 -3.882 0.785
137 HG21 ILE 16 1HG2 ILE 16 9.185 -5.171 -2.127
138 HG22 ILE 16 2HG2 ILE 16 10.193 -3.728 -2.257
139 HG23 ILE 16 3HG2 ILE 16 10.329 -4.769 -0.821
140 HD11 ILE 16 3HD1 ILE 16 6.002 -4.826 -1.317
141 HD12 ILE 16 1HD1 ILE 16 7.244 -6.107 -1.333
142 HD13 ILE 16 2HD1 ILE 16 6.103 -5.992 0.022
143 H LYS 17 H LYS 17 8.498 -0.480 -1.807
144 HA LYS 17 HA LYS 17 11.101 -0.186 -3.114
145 HB2 LYS 17 2HB LYS 17 10.159 1.478 -4.521
146 HB3 LYS 17 1HB LYS 17 9.019 0.174 -4.325
147 HG2 LYS 17 2HG LYS 17 7.727 1.680 -2.628
148 HG3 LYS 17 1HG LYS 17 8.876 2.948 -2.994
149 HD2 LYS 17 1HD LYS 17 7.118 3.541 -4.341
150 HD3 LYS 17 2HD LYS 17 8.165 2.761 -5.500
151 HE2 LYS 17 2HE LYS 17 5.696 1.451 -4.142
152 HE3 LYS 17 1HE LYS 17 5.663 2.262 -5.699
153 HZ1 LYS 17 2HZ LYS 17 7.180 0.633 -6.584
154 HZ3 LYS 17 1HZ LYS 17 5.830 -0.078 -5.995
155 H ASP 18 H ASP 18 9.561 1.930 -0.666
156 HA ASP 18 HA ASP 18 11.768 3.920 -0.709
157 HB2 ASP 18 1HB ASP 18 9.492 3.541 1.331
158 HB3 ASP 18 2HB ASP 18 10.678 4.825 1.418
159 HD2 ASP 18 HD2 ASP 18 9.457 6.722 -1.203
160 H GLY 19 H GLY 19 10.954 1.283 1.616
161 HA2 GLY 19 2HA GLY 19 13.244 1.749 3.411
162 HA3 GLY 19 1HA GLY 19 12.260 0.302 3.362
163 H LYS 20 H LYS 20 12.691 -1.122 1.326
164 HA LYS 20 HA LYS 20 15.629 -1.738 1.276
165 HB2 LYS 20 2HB LYS 20 13.215 -3.194 0.021
166 HB3 LYS 20 1HB LYS 20 14.862 -3.762 -0.215
167 HG2 LYS 20 2HG LYS 20 13.462 -3.506 2.526
168 HG3 LYS 20 1HG LYS 20 13.569 -4.971 1.564
169 HD2 LYS 20 1HD LYS 20 16.090 -4.909 1.707
170 HD3 LYS 20 2HD LYS 20 16.020 -3.476 2.719
171 HE2 LYS 20 2HE LYS 20 14.765 -6.210 3.465
172 HE3 LYS 20 1HE LYS 20 16.364 -5.668 3.968
173 HZ1 LYS 20 2HZ LYS 20 14.710 -5.280 5.660
174 HZ3 LYS 20 1HZ LYS 20 13.810 -4.339 4.672
175 HN1 NH2 21 2HN NH2 21 14.594 -0.566 -2.579
176 HN2 NH2 21 1HN NH2 21 13.317 -1.384 -1.546