NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615244 |
5j6v   |
30059 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HT1 ASP 1 0.553 1.232 -5.688
2 H2 ASP 1 HT2 ASP 1 -0.148 2.622 -5.008
3 H3 ASP 1 HT3 ASP 1 -1.135 1.384 -5.625
4 HA ASP 1 HA ASP 1 -1.171 1.158 -3.268
5 HB2 ASP 1 HB2 ASP 1 -0.432 -0.741 -5.123
6 HB3 ASP 1 HB1 ASP 1 0.828 -0.917 -3.901
7 H ILE 2 HN ILE 2 0.929 -0.267 -1.872
8 HA ILE 2 HA ILE 2 2.488 2.010 -0.903
9 HB ILE 2 HB ILE 2 2.541 -0.958 -0.252
10 HG12 ILE 2 HG12 ILE 2 1.282 1.070 1.534
11 HG13 ILE 2 HG11 ILE 2 0.405 0.658 0.060
12 HG21 ILE 2 HG21 ILE 2 3.849 -0.453 1.610
13 HG22 ILE 2 HG22 ILE 2 3.350 1.238 1.628
14 HG23 ILE 2 HG23 ILE 2 4.505 0.672 0.422
15 HD11 ILE 2 HD11 ILE 2 1.091 -1.070 2.404
16 HD12 ILE 2 HD12 ILE 2 0.993 -1.822 0.812
17 HD13 ILE 2 HD13 ILE 2 -0.407 -0.982 1.479
18 H PHE 3 HN PHE 3 3.602 2.333 -3.084
19 HA PHE 3 HA PHE 3 5.944 0.474 -3.364
20 HB2 PHE 3 HB2 PHE 3 4.368 2.086 -5.395
21 HB3 PHE 3 HB1 PHE 3 5.850 1.210 -5.777
22 HD1 PHE 3 HD1 PHE 3 5.737 -1.295 -4.485
23 HD2 PHE 3 HD2 PHE 3 2.477 0.957 -6.144
24 HE1 PHE 3 HE1 PHE 3 4.431 -3.386 -4.757
25 HE2 PHE 3 HE2 PHE 3 1.171 -1.133 -6.416
26 HZ PHE 3 HZ PHE 3 2.148 -3.305 -5.722
27 H GLY 4 HN GLY 4 5.407 3.191 -1.876
28 HA2 GLY 4 HA2 GLY 4 7.772 4.608 -3.041
29 HA3 GLY 4 HA1 GLY 4 6.398 5.474 -2.352
30 H ALA 5 HN ALA 5 5.988 3.775 -0.085
31 HA ALA 5 HA ALA 5 8.010 4.866 1.713
32 HB1 ALA 5 HB1 ALA 5 5.786 4.742 2.515
33 HB2 ALA 5 HB2 ALA 5 6.598 3.408 3.334
34 HB3 ALA 5 HB3 ALA 5 5.579 3.092 1.929
35 H ILE 6 HN ILE 6 7.361 1.736 0.223
36 HA ILE 6 HA ILE 6 9.238 0.261 1.903
37 HB ILE 6 HB ILE 6 7.192 -0.649 0.765
38 HG12 ILE 6 HG12 ILE 6 8.801 -2.531 -0.470
39 HG13 ILE 6 HG11 ILE 6 9.901 -1.792 0.694
40 HG21 ILE 6 HG21 ILE 6 7.871 0.714 -1.396
41 HG22 ILE 6 HG22 ILE 6 7.016 -0.821 -1.547
42 HG23 ILE 6 HG23 ILE 6 8.762 -0.757 -1.788
43 HD11 ILE 6 HD11 ILE 6 8.653 -2.479 2.521
44 HD12 ILE 6 HD12 ILE 6 8.326 -3.807 1.406
45 HD13 ILE 6 HD13 ILE 6 7.144 -2.513 1.608
46 H TRP 7 HN TRP 7 9.679 2.495 -0.596
47 HA TRP 7 HA TRP 7 11.937 1.188 -1.925
48 HB2 TRP 7 HB2 TRP 7 10.282 3.575 -2.165
49 HB3 TRP 7 HB1 TRP 7 11.986 3.950 -2.421
50 HD1 TRP 7 HD1 TRP 7 9.929 0.825 -3.421
51 HE1 TRP 7 HE1 TRP 7 10.263 0.423 -5.946
52 HE3 TRP 7 HE3 TRP 7 12.869 4.839 -4.573
53 HZ2 TRP 7 HZ2 TRP 7 11.601 1.643 -8.161
54 HZ3 TRP 7 HZ3 TRP 7 13.658 5.194 -6.895
55 HH2 TRP 7 HH2 TRP 7 13.028 3.602 -8.689
56 HA PRO 8 HA PRO 8 14.372 4.583 0.621
57 HB2 PRO 8 HB2 PRO 8 12.509 4.923 2.904
58 HB3 PRO 8 HB1 PRO 8 13.452 6.147 2.031
59 HG2 PRO 8 HG2 PRO 8 10.786 5.879 1.754
60 HG3 PRO 8 HG1 PRO 8 11.840 6.459 0.457
61 HD2 PRO 8 HD2 PRO 8 10.474 3.855 0.744
62 HD3 PRO 8 HD1 PRO 8 10.987 4.719 -0.718
63 H LEU 9 HN LEU 9 12.262 2.139 2.014
64 HA LEU 9 HA LEU 9 13.922 1.454 4.275
65 HB2 LEU 9 HB2 LEU 9 11.511 0.935 4.027
66 HB3 LEU 9 HB1 LEU 9 11.891 -0.153 2.691
67 HG LEU 9 HG LEU 9 13.595 -0.883 4.844
68 HD11 LEU 9 HD11 LEU 9 10.695 -0.510 5.657
69 HD12 LEU 9 HD12 LEU 9 12.101 0.266 6.385
70 HD13 LEU 9 HD13 LEU 9 11.865 -1.473 6.559
71 HD21 LEU 9 HD21 LEU 9 12.787 -2.444 3.179
72 HD22 LEU 9 HD22 LEU 9 11.111 -2.137 3.635
73 HD23 LEU 9 HD23 LEU 9 12.188 -2.979 4.749
74 H ALA 10 HN ALA 10 13.379 -0.323 1.198
75 HA ALA 10 HA ALA 10 15.461 -2.219 1.513
76 HB1 ALA 10 HB1 ALA 10 15.201 -2.492 -0.915
77 HB2 ALA 10 HB2 ALA 10 14.412 -0.919 -1.022
78 HB3 ALA 10 HB3 ALA 10 13.622 -2.246 -0.170
79 H LEU 11 HN LEU 11 15.540 1.101 0.310
80 HA LEU 11 HA LEU 11 18.227 1.025 -0.743
81 HB2 LEU 11 HB2 LEU 11 16.424 3.245 0.273
82 HB3 LEU 11 HB1 LEU 11 17.941 3.529 -0.581
83 HG LEU 11 HG LEU 11 15.748 1.803 -1.742
84 HD11 LEU 11 HD11 LEU 11 15.325 3.937 -3.153
85 HD12 LEU 11 HD12 LEU 11 16.129 4.795 -1.838
86 HD13 LEU 11 HD13 LEU 11 14.651 3.885 -1.524
87 HD21 LEU 11 HD21 LEU 11 18.297 1.955 -2.501
88 HD22 LEU 11 HD22 LEU 11 17.730 3.423 -3.298
89 HD23 LEU 11 HD23 LEU 11 17.001 1.866 -3.694
90 H GLY 12 HN GLY 12 16.845 1.938 2.414
91 HA2 GLY 12 HA2 GLY 12 19.361 2.782 3.556
92 HA3 GLY 12 HA1 GLY 12 17.907 2.374 4.470
93 H ALA 13 HN ALA 13 17.845 -0.309 3.044
94 HA ALA 13 HA ALA 13 19.410 -1.779 5.018
95 HB1 ALA 13 HB1 ALA 13 17.437 -2.262 2.865
96 HB2 ALA 13 HB2 ALA 13 17.548 -2.990 4.467
97 HB3 ALA 13 HB3 ALA 13 18.556 -3.594 3.153
98 H LEU 14 HN LEU 14 19.613 -1.223 1.503
99 HA LEU 14 HA LEU 14 21.976 -2.838 1.091
100 HB2 LEU 14 HB2 LEU 14 20.757 -0.525 -0.457
101 HB3 LEU 14 HB1 LEU 14 21.974 -1.633 -1.091
102 HG LEU 14 HG LEU 14 19.251 -2.483 -0.059
103 HD11 LEU 14 HD11 LEU 14 19.435 -1.089 -2.263
104 HD12 LEU 14 HD12 LEU 14 18.502 -2.585 -2.279
105 HD13 LEU 14 HD13 LEU 14 20.140 -2.560 -2.934
106 HD21 LEU 14 HD21 LEU 14 20.720 -4.322 0.173
107 HD22 LEU 14 HD22 LEU 14 21.604 -3.914 -1.297
108 HD23 LEU 14 HD23 LEU 14 19.975 -4.581 -1.405
109 H LYS 15 HN LYS 15 21.438 0.364 2.345
110 HA LYS 15 HA LYS 15 24.089 1.418 1.720
111 HB2 LYS 15 HB2 LYS 15 21.717 2.506 2.341
112 HB3 LYS 15 HB1 LYS 15 22.401 2.443 3.966
113 HG2 LYS 15 HG2 LYS 15 24.158 3.484 1.794
114 HG3 LYS 15 HG1 LYS 15 22.835 4.522 2.326
115 HD2 LYS 15 HD2 LYS 15 24.858 3.245 4.190
116 HD3 LYS 15 HD1 LYS 15 24.951 4.907 3.607
117 HE2 LYS 15 HE2 LYS 15 22.359 4.790 4.542
118 HE3 LYS 15 HE1 LYS 15 23.225 3.764 5.703
119 HZ1 LYS 15 HZ1 LYS 15 23.467 5.998 6.437
120 HZ2 LYS 15 HZ2 LYS 15 23.908 6.536 4.887
121 HZ3 LYS 15 HZ3 LYS 15 24.959 5.539 5.774
122 H ASN 16 HN ASN 16 22.513 0.234 4.717
123 HA ASN 16 HA ASN 16 24.854 0.412 6.370
124 HB2 ASN 16 HB2 ASN 16 22.208 -1.008 6.409
125 HB3 ASN 16 HB1 ASN 16 23.417 -1.426 7.624
126 HD21 ASN 16 HD21 ASN 16 24.423 0.618 8.757
127 HD22 ASN 16 HD22 ASN 16 23.341 1.872 9.130
128 H LEU 17 HN LEU 17 24.017 -1.753 3.835
129 HA LEU 17 HA LEU 17 25.365 -4.136 4.754
130 HB2 LEU 17 HB2 LEU 17 23.732 -4.314 3.033
131 HB3 LEU 17 HB1 LEU 17 24.448 -2.997 2.107
132 HG LEU 17 HG LEU 17 26.416 -4.383 1.620
133 HD11 LEU 17 HD11 LEU 17 26.638 -5.789 3.516
134 HD12 LEU 17 HD12 LEU 17 26.155 -6.886 2.222
135 HD13 LEU 17 HD13 LEU 17 24.966 -6.341 3.406
136 HD21 LEU 17 HD21 LEU 17 25.165 -6.236 0.336
137 HD22 LEU 17 HD22 LEU 17 24.715 -4.570 -0.029
138 HD23 LEU 17 HD23 LEU 17 23.692 -5.549 1.022
139 H ILE 18 HN ILE 18 26.347 -1.775 2.228
140 HA ILE 18 HA ILE 18 29.191 -2.137 3.099
141 HB ILE 18 HB ILE 18 29.746 -2.228 0.641
142 HG12 ILE 18 HG12 ILE 18 26.759 -2.639 0.344
143 HG13 ILE 18 HG11 ILE 18 27.588 -1.132 -0.045
144 HG21 ILE 18 HG21 ILE 18 28.547 -4.269 2.293
145 HG22 ILE 18 HG22 ILE 18 29.813 -4.434 1.078
146 HG23 ILE 18 HG23 ILE 18 28.118 -4.546 0.605
147 HD11 ILE 18 HD11 ILE 18 27.531 -2.217 -2.122
148 HD12 ILE 18 HD12 ILE 18 27.800 -3.807 -1.406
149 HD13 ILE 18 HD13 ILE 18 29.128 -2.651 -1.513
150 H LYS 19 HN LYS 19 27.081 0.049 3.345
151 HA LYS 19 HA LYS 19 28.698 2.225 2.066
152 HB2 LYS 19 HB2 LYS 19 25.701 2.356 2.345
153 HB3 LYS 19 HB1 LYS 19 26.740 3.203 1.203
154 HG2 LYS 19 HG2 LYS 19 27.289 0.782 0.331
155 HG3 LYS 19 HG1 LYS 19 25.774 0.356 1.128
156 HD2 LYS 19 HD2 LYS 19 24.494 1.582 -0.341
157 HD3 LYS 19 HD1 LYS 19 25.760 2.782 -0.607
158 HE2 LYS 19 HE2 LYS 19 26.378 0.031 -1.556
159 HE3 LYS 19 HE1 LYS 19 25.131 0.911 -2.461
160 HZ1 LYS 19 HZ1 LYS 19 26.662 2.851 -2.457
161 HZ2 LYS 19 HZ2 LYS 19 27.242 1.529 -3.353
162 HZ3 LYS 19 HZ3 LYS 19 27.871 1.854 -1.808
163 HN1 NH2 20 HN1 NH2 20 27.989 4.444 3.177
164 HN2 NH2 20 HN2 NH2 20 27.770 4.390 4.859
Start of MODEL 2
1 H1 ASP 1 HT1 ASP 1 4.101 5.520 -0.485
2 H2 ASP 1 HT2 ASP 1 3.601 5.345 1.130
3 H3 ASP 1 HT3 ASP 1 2.774 6.406 0.090
4 HA ASP 1 HA ASP 1 1.559 4.292 0.458
5 HB2 ASP 1 HB2 ASP 1 2.538 5.433 -2.118
6 HB3 ASP 1 HB1 ASP 1 1.628 3.924 -2.210
7 H ILE 2 HN ILE 2 1.623 2.163 -1.248
8 HA ILE 2 HA ILE 2 3.602 0.415 -0.098
9 HB ILE 2 HB ILE 2 1.819 0.154 -2.545
10 HG12 ILE 2 HG12 ILE 2 1.378 -0.823 0.294
11 HG13 ILE 2 HG11 ILE 2 0.686 0.668 -0.345
12 HG21 ILE 2 HG21 ILE 2 3.618 -1.734 -1.091
13 HG22 ILE 2 HG22 ILE 2 3.206 -1.673 -2.804
14 HG23 ILE 2 HG23 ILE 2 2.065 -2.357 -1.646
15 HD11 ILE 2 HD11 ILE 2 0.035 -2.170 -1.030
16 HD12 ILE 2 HD12 ILE 2 -0.121 -0.951 -2.295
17 HD13 ILE 2 HD13 ILE 2 -1.048 -0.797 -0.802
18 H PHE 3 HN PHE 3 3.519 2.364 -3.015
19 HA PHE 3 HA PHE 3 6.068 1.116 -3.955
20 HB2 PHE 3 HB2 PHE 3 5.473 2.393 -6.068
21 HB3 PHE 3 HB1 PHE 3 4.302 1.161 -5.604
22 HD1 PHE 3 HD1 PHE 3 2.058 1.731 -5.062
23 HD2 PHE 3 HD2 PHE 3 5.016 4.819 -5.479
24 HE1 PHE 3 HE1 PHE 3 0.275 3.452 -4.973
25 HE2 PHE 3 HE2 PHE 3 3.234 6.539 -5.389
26 HZ PHE 3 HZ PHE 3 0.862 5.856 -5.137
27 H GLY 4 HN GLY 4 5.831 3.047 -1.690
28 HA2 GLY 4 HA2 GLY 4 7.812 5.007 -2.700
29 HA3 GLY 4 HA1 GLY 4 6.370 5.648 -1.911
30 H ALA 5 HN ALA 5 6.112 3.569 0.073
31 HA ALA 5 HA ALA 5 8.115 4.535 1.995
32 HB1 ALA 5 HB1 ALA 5 6.580 3.766 3.541
33 HB2 ALA 5 HB2 ALA 5 6.193 2.331 2.592
34 HB3 ALA 5 HB3 ALA 5 5.509 3.894 2.146
35 H ILE 6 HN ILE 6 7.454 1.586 0.175
36 HA ILE 6 HA ILE 6 9.336 -0.066 1.675
37 HB ILE 6 HB ILE 6 7.277 -0.829 0.438
38 HG12 ILE 6 HG12 ILE 6 8.907 -2.587 -0.963
39 HG13 ILE 6 HG11 ILE 6 9.970 -1.990 0.312
40 HG21 ILE 6 HG21 ILE 6 7.543 0.609 -1.547
41 HG22 ILE 6 HG22 ILE 6 7.445 -1.089 -2.012
42 HG23 ILE 6 HG23 ILE 6 9.007 -0.269 -1.991
43 HD11 ILE 6 HD11 ILE 6 8.952 -3.673 1.499
44 HD12 ILE 6 HD12 ILE 6 7.482 -3.613 0.525
45 HD13 ILE 6 HD13 ILE 6 7.758 -2.406 1.782
46 H TRP 7 HN TRP 7 9.802 2.446 -0.517
47 HA TRP 7 HA TRP 7 12.080 1.254 -1.955
48 HB2 TRP 7 HB2 TRP 7 10.336 3.583 -2.099
49 HB3 TRP 7 HB1 TRP 7 12.025 4.039 -2.314
50 HD1 TRP 7 HD1 TRP 7 10.376 0.746 -3.454
51 HE1 TRP 7 HE1 TRP 7 10.655 0.542 -6.009
52 HE3 TRP 7 HE3 TRP 7 12.522 5.266 -4.469
53 HZ2 TRP 7 HZ2 TRP 7 11.656 2.093 -8.194
54 HZ3 TRP 7 HZ3 TRP 7 13.127 5.878 -6.792
55 HH2 TRP 7 HH2 TRP 7 12.697 4.299 -8.655
56 HA PRO 8 HA PRO 8 14.388 4.560 0.772
57 HB2 PRO 8 HB2 PRO 8 12.515 4.850 3.045
58 HB3 PRO 8 HB1 PRO 8 13.417 6.099 2.167
59 HG2 PRO 8 HG2 PRO 8 10.755 5.759 1.913
60 HG3 PRO 8 HG1 PRO 8 11.782 6.377 0.612
61 HD2 PRO 8 HD2 PRO 8 10.517 3.716 0.909
62 HD3 PRO 8 HD1 PRO 8 10.942 4.620 -0.558
63 H LEU 9 HN LEU 9 12.283 2.062 2.080
64 HA LEU 9 HA LEU 9 13.954 1.349 4.336
65 HB2 LEU 9 HB2 LEU 9 11.532 0.863 4.112
66 HB3 LEU 9 HB1 LEU 9 11.885 -0.223 2.766
67 HG LEU 9 HG LEU 9 13.596 -1.197 4.648
68 HD11 LEU 9 HD11 LEU 9 11.875 -1.369 6.672
69 HD12 LEU 9 HD12 LEU 9 11.336 0.187 6.039
70 HD13 LEU 9 HD13 LEU 9 13.009 -0.024 6.555
71 HD21 LEU 9 HD21 LEU 9 12.239 -3.073 4.589
72 HD22 LEU 9 HD22 LEU 9 11.569 -2.189 3.217
73 HD23 LEU 9 HD23 LEU 9 10.757 -2.136 4.782
74 H ALA 10 HN ALA 10 13.353 -0.390 1.245
75 HA ALA 10 HA ALA 10 15.407 -2.320 1.522
76 HB1 ALA 10 HB1 ALA 10 13.450 -1.961 -0.195
77 HB2 ALA 10 HB2 ALA 10 14.914 -2.792 -0.722
78 HB3 ALA 10 HB3 ALA 10 14.672 -1.092 -1.123
79 H LEU 11 HN LEU 11 15.544 1.016 0.379
80 HA LEU 11 HA LEU 11 18.239 0.870 -0.683
81 HB2 LEU 11 HB2 LEU 11 16.434 3.125 0.245
82 HB3 LEU 11 HB1 LEU 11 17.978 3.387 -0.566
83 HG LEU 11 HG LEU 11 15.734 1.721 -1.731
84 HD11 LEU 11 HD11 LEU 11 14.785 3.835 -1.840
85 HD12 LEU 11 HD12 LEU 11 15.745 3.850 -3.320
86 HD13 LEU 11 HD13 LEU 11 16.349 4.649 -1.867
87 HD21 LEU 11 HD21 LEU 11 18.445 2.645 -2.646
88 HD22 LEU 11 HD22 LEU 11 17.170 2.379 -3.837
89 HD23 LEU 11 HD23 LEU 11 17.701 1.053 -2.803
90 H GLY 12 HN GLY 12 16.830 1.819 2.444
91 HA2 GLY 12 HA2 GLY 12 19.345 2.693 3.585
92 HA3 GLY 12 HA1 GLY 12 17.879 2.324 4.494
93 H ALA 13 HN ALA 13 17.831 -0.400 3.119
94 HA ALA 13 HA ALA 13 19.383 -1.814 5.157
95 HB1 ALA 13 HB1 ALA 13 18.119 -3.638 4.440
96 HB2 ALA 13 HB2 ALA 13 18.127 -3.108 2.758
97 HB3 ALA 13 HB3 ALA 13 17.078 -2.309 3.930
98 H LEU 14 HN LEU 14 19.536 -1.393 1.623
99 HA LEU 14 HA LEU 14 21.920 -3.039 1.304
100 HB2 LEU 14 HB2 LEU 14 20.600 -0.954 -0.471
101 HB3 LEU 14 HB1 LEU 14 21.797 -2.136 -1.002
102 HG LEU 14 HG LEU 14 19.108 -2.834 0.221
103 HD11 LEU 14 HD11 LEU 14 19.284 -1.755 -2.179
104 HD12 LEU 14 HD12 LEU 14 18.275 -3.180 -1.928
105 HD13 LEU 14 HD13 LEU 14 19.882 -3.350 -2.634
106 HD21 LEU 14 HD21 LEU 14 19.890 -5.072 -0.998
107 HD22 LEU 14 HD22 LEU 14 20.420 -4.702 0.644
108 HD23 LEU 14 HD23 LEU 14 21.491 -4.387 -0.722
109 H LYS 15 HN LYS 15 21.317 0.232 2.278
110 HA LYS 15 HA LYS 15 23.921 1.280 1.420
111 HB2 LYS 15 HB2 LYS 15 21.799 2.603 1.611
112 HB3 LYS 15 HB1 LYS 15 21.847 2.359 3.357
113 HG2 LYS 15 HG2 LYS 15 24.262 3.341 3.178
114 HG3 LYS 15 HG1 LYS 15 23.703 3.974 1.628
115 HD2 LYS 15 HD2 LYS 15 23.033 5.727 2.950
116 HD3 LYS 15 HD1 LYS 15 21.613 4.702 3.160
117 HE2 LYS 15 HE2 LYS 15 22.257 4.020 5.305
118 HE3 LYS 15 HE1 LYS 15 23.972 4.369 5.006
119 HZ1 LYS 15 HZ1 LYS 15 21.763 6.329 5.308
120 HZ2 LYS 15 HZ2 LYS 15 23.310 6.743 4.741
121 HZ3 LYS 15 HZ3 LYS 15 23.112 6.142 6.317
122 H ASN 16 HN ASN 16 22.398 0.373 4.529
123 HA ASN 16 HA ASN 16 24.704 0.903 6.166
124 HB2 ASN 16 HB2 ASN 16 22.074 0.287 6.537
125 HB3 ASN 16 HB1 ASN 16 22.824 -1.260 6.931
126 HD21 ASN 16 HD21 ASN 16 24.895 -0.941 8.441
127 HD22 ASN 16 HD22 ASN 16 24.689 0.154 9.722
128 H LEU 17 HN LEU 17 24.038 -1.590 3.899
129 HA LEU 17 HA LEU 17 25.530 -3.748 5.124
130 HB2 LEU 17 HB2 LEU 17 23.903 -4.276 3.476
131 HB3 LEU 17 HB1 LEU 17 24.504 -3.044 2.370
132 HG LEU 17 HG LEU 17 26.558 -4.337 2.012
133 HD11 LEU 17 HD11 LEU 17 26.342 -6.806 2.970
134 HD12 LEU 17 HD12 LEU 17 25.366 -6.002 4.201
135 HD13 LEU 17 HD13 LEU 17 27.044 -5.519 3.951
136 HD21 LEU 17 HD21 LEU 17 24.372 -6.369 1.727
137 HD22 LEU 17 HD22 LEU 17 25.606 -5.887 0.563
138 HD23 LEU 17 HD23 LEU 17 24.222 -4.838 0.866
139 H ILE 18 HN ILE 18 26.337 -1.702 2.279
140 HA ILE 18 HA ILE 18 29.205 -1.766 3.148
141 HB ILE 18 HB ILE 18 29.750 -2.147 0.719
142 HG12 ILE 18 HG12 ILE 18 26.793 -2.768 0.510
143 HG13 ILE 18 HG11 ILE 18 27.526 -1.274 -0.073
144 HG21 ILE 18 HG21 ILE 18 28.679 -4.019 2.636
145 HG22 ILE 18 HG22 ILE 18 29.948 -4.270 1.439
146 HG23 ILE 18 HG23 ILE 18 28.261 -4.538 1.003
147 HD11 ILE 18 HD11 ILE 18 27.789 -4.057 -1.139
148 HD12 ILE 18 HD12 ILE 18 29.174 -2.974 -1.292
149 HD13 ILE 18 HD13 ILE 18 27.625 -2.533 -2.013
150 H LYS 19 HN LYS 19 26.977 0.307 3.151
151 HA LYS 19 HA LYS 19 28.452 2.388 1.579
152 HB2 LYS 19 HB2 LYS 19 25.454 2.377 1.869
153 HB3 LYS 19 HB1 LYS 19 26.438 3.134 0.620
154 HG2 LYS 19 HG2 LYS 19 27.128 0.661 0.053
155 HG3 LYS 19 HG1 LYS 19 25.644 0.249 0.912
156 HD2 LYS 19 HD2 LYS 19 24.310 1.569 -0.591
157 HD3 LYS 19 HD1 LYS 19 25.745 2.280 -1.332
158 HE2 LYS 19 HE2 LYS 19 25.517 -0.705 -1.374
159 HE3 LYS 19 HE1 LYS 19 24.493 0.223 -2.488
160 HZ1 LYS 19 HZ1 LYS 19 26.370 1.357 -3.344
161 HZ2 LYS 19 HZ2 LYS 19 26.780 -0.292 -3.343
162 HZ3 LYS 19 HZ3 LYS 19 27.393 0.740 -2.141
163 HN1 NH2 20 HN1 NH2 20 29.364 3.446 3.440
164 HN2 NH2 20 HN2 NH2 20 28.423 4.115 4.683
Start of MODEL 3
1 H1 ASP 1 HT1 ASP 1 1.733 5.821 -4.910
2 H2 ASP 1 HT2 ASP 1 0.472 5.660 -6.038
3 H3 ASP 1 HT3 ASP 1 1.494 4.344 -5.709
4 HA ASP 1 HA ASP 1 -0.555 5.539 -3.921
5 HB2 ASP 1 HB2 ASP 1 -0.655 3.638 -5.895
6 HB3 ASP 1 HB1 ASP 1 -0.318 2.644 -4.478
7 H ILE 2 HN ILE 2 1.613 2.686 -4.017
8 HA ILE 2 HA ILE 2 2.588 3.390 -1.282
9 HB ILE 2 HB ILE 2 0.606 1.892 -1.134
10 HG12 ILE 2 HG12 ILE 2 2.167 -0.155 -0.180
11 HG13 ILE 2 HG11 ILE 2 3.322 1.179 -0.217
12 HG21 ILE 2 HG21 ILE 2 2.233 -0.265 -2.459
13 HG22 ILE 2 HG22 ILE 2 1.246 0.824 -3.435
14 HG23 ILE 2 HG23 ILE 2 0.489 -0.188 -2.205
15 HD11 ILE 2 HD11 ILE 2 1.215 2.470 0.857
16 HD12 ILE 2 HD12 ILE 2 2.405 1.617 1.840
17 HD13 ILE 2 HD13 ILE 2 0.873 0.840 1.437
18 H PHE 3 HN PHE 3 4.195 3.806 -3.414
19 HA PHE 3 HA PHE 3 6.026 1.427 -3.441
20 HB2 PHE 3 HB2 PHE 3 5.693 3.464 -5.657
21 HB3 PHE 3 HB1 PHE 3 6.453 1.876 -5.754
22 HD1 PHE 3 HD1 PHE 3 4.693 -0.015 -4.641
23 HD2 PHE 3 HD2 PHE 3 3.677 3.551 -6.809
24 HE1 PHE 3 HE1 PHE 3 2.509 -1.013 -5.260
25 HE2 PHE 3 HE2 PHE 3 1.493 2.553 -7.428
26 HZ PHE 3 HZ PHE 3 0.908 0.272 -6.654
27 H GLY 4 HN GLY 4 5.744 4.339 -2.073
28 HA2 GLY 4 HA2 GLY 4 8.587 5.110 -2.584
29 HA3 GLY 4 HA1 GLY 4 7.334 6.257 -2.108
30 H ALA 5 HN ALA 5 6.463 3.773 -0.290
31 HA ALA 5 HA ALA 5 7.936 4.771 2.073
32 HB1 ALA 5 HB1 ALA 5 5.590 4.540 2.339
33 HB2 ALA 5 HB2 ALA 5 6.254 3.123 3.152
34 HB3 ALA 5 HB3 ALA 5 5.573 2.971 1.533
35 H ILE 6 HN ILE 6 7.396 1.675 0.371
36 HA ILE 6 HA ILE 6 9.261 0.225 2.105
37 HB ILE 6 HB ILE 6 7.226 -0.753 1.064
38 HG12 ILE 6 HG12 ILE 6 8.741 -2.614 -0.265
39 HG13 ILE 6 HG11 ILE 6 9.957 -1.836 0.748
40 HG21 ILE 6 HG21 ILE 6 7.095 0.363 -1.038
41 HG22 ILE 6 HG22 ILE 6 7.447 -1.320 -1.425
42 HG23 ILE 6 HG23 ILE 6 8.733 -0.117 -1.480
43 HD11 ILE 6 HD11 ILE 6 7.817 -3.655 1.514
44 HD12 ILE 6 HD12 ILE 6 7.756 -2.157 2.442
45 HD13 ILE 6 HD13 ILE 6 9.224 -3.134 2.440
46 H TRP 7 HN TRP 7 9.525 2.162 -0.750
47 HA TRP 7 HA TRP 7 11.821 0.892 -1.953
48 HB2 TRP 7 HB2 TRP 7 10.183 3.298 -2.233
49 HB3 TRP 7 HB1 TRP 7 11.882 3.610 -2.588
50 HD1 TRP 7 HD1 TRP 7 10.088 0.283 -3.278
51 HE1 TRP 7 HE1 TRP 7 10.140 -0.164 -5.816
52 HE3 TRP 7 HE3 TRP 7 12.134 4.671 -4.906
53 HZ2 TRP 7 HZ2 TRP 7 10.943 1.163 -8.217
54 HZ3 TRP 7 HZ3 TRP 7 12.530 5.052 -7.322
55 HH2 TRP 7 HH2 TRP 7 11.937 3.306 -8.978
56 HA PRO 8 HA PRO 8 14.302 4.358 0.437
57 HB2 PRO 8 HB2 PRO 8 12.512 4.767 2.764
58 HB3 PRO 8 HB1 PRO 8 13.407 5.967 1.811
59 HG2 PRO 8 HG2 PRO 8 10.738 5.666 1.643
60 HG3 PRO 8 HG1 PRO 8 11.736 6.196 0.282
61 HD2 PRO 8 HD2 PRO 8 10.431 3.583 0.751
62 HD3 PRO 8 HD1 PRO 8 10.832 4.398 -0.772
63 H LEU 9 HN LEU 9 12.232 1.967 1.987
64 HA LEU 9 HA LEU 9 13.964 1.347 4.207
65 HB2 LEU 9 HB2 LEU 9 11.566 0.783 4.061
66 HB3 LEU 9 HB1 LEU 9 11.898 -0.296 2.705
67 HG LEU 9 HG LEU 9 13.693 -1.177 4.609
68 HD11 LEU 9 HD11 LEU 9 12.666 0.262 6.323
69 HD12 LEU 9 HD12 LEU 9 12.367 -1.437 6.685
70 HD13 LEU 9 HD13 LEU 9 11.087 -0.446 5.984
71 HD21 LEU 9 HD21 LEU 9 12.375 -2.665 3.247
72 HD22 LEU 9 HD22 LEU 9 10.872 -2.079 3.960
73 HD23 LEU 9 HD23 LEU 9 11.993 -3.038 4.928
74 H ALA 10 HN ALA 10 13.418 -0.396 1.112
75 HA ALA 10 HA ALA 10 15.478 -2.323 1.404
76 HB1 ALA 10 HB1 ALA 10 13.542 -1.768 -0.398
77 HB2 ALA 10 HB2 ALA 10 14.892 -2.841 -0.765
78 HB3 ALA 10 HB3 ALA 10 14.939 -1.156 -1.283
79 H LEU 11 HN LEU 11 15.579 1.003 0.201
80 HA LEU 11 HA LEU 11 18.282 0.956 -0.783
81 HB2 LEU 11 HB2 LEU 11 16.451 3.141 0.260
82 HB3 LEU 11 HB1 LEU 11 17.994 3.464 -0.531
83 HG LEU 11 HG LEU 11 15.761 1.851 -1.792
84 HD11 LEU 11 HD11 LEU 11 16.568 4.694 -2.447
85 HD12 LEU 11 HD12 LEU 11 15.240 4.311 -1.352
86 HD13 LEU 11 HD13 LEU 11 15.166 3.805 -3.040
87 HD21 LEU 11 HD21 LEU 11 17.616 1.232 -3.005
88 HD22 LEU 11 HD22 LEU 11 18.516 2.683 -2.562
89 HD23 LEU 11 HD23 LEU 11 17.285 2.759 -3.823
90 H GLY 12 HN GLY 12 16.862 1.874 2.361
91 HA2 GLY 12 HA2 GLY 12 19.339 2.670 3.578
92 HA3 GLY 12 HA1 GLY 12 17.882 2.195 4.454
93 H ALA 13 HN ALA 13 17.861 -0.439 2.982
94 HA ALA 13 HA ALA 13 19.465 -1.935 4.900
95 HB1 ALA 13 HB1 ALA 13 17.302 -2.721 4.059
96 HB2 ALA 13 HB2 ALA 13 18.560 -3.856 3.569
97 HB3 ALA 13 HB3 ALA 13 17.912 -2.702 2.405
98 H LEU 14 HN LEU 14 19.646 -1.303 1.396
99 HA LEU 14 HA LEU 14 22.049 -2.843 0.941
100 HB2 LEU 14 HB2 LEU 14 20.802 -0.506 -0.549
101 HB3 LEU 14 HB1 LEU 14 22.012 -1.604 -1.212
102 HG LEU 14 HG LEU 14 19.304 -2.485 -0.170
103 HD11 LEU 14 HD11 LEU 14 19.428 -1.005 -2.317
104 HD12 LEU 14 HD12 LEU 14 18.509 -2.508 -2.378
105 HD13 LEU 14 HD13 LEU 14 20.131 -2.440 -3.064
106 HD21 LEU 14 HD21 LEU 14 20.047 -4.503 -1.680
107 HD22 LEU 14 HD22 LEU 14 20.706 -4.358 -0.051
108 HD23 LEU 14 HD23 LEU 14 21.668 -3.848 -1.439
109 H LYS 15 HN LYS 15 21.437 0.313 2.277
110 HA LYS 15 HA LYS 15 24.101 1.392 1.702
111 HB2 LYS 15 HB2 LYS 15 21.956 2.700 1.968
112 HB3 LYS 15 HB1 LYS 15 21.982 2.285 3.683
113 HG2 LYS 15 HG2 LYS 15 24.197 3.364 3.906
114 HG3 LYS 15 HG1 LYS 15 24.147 3.803 2.198
115 HD2 LYS 15 HD2 LYS 15 23.360 5.748 3.257
116 HD3 LYS 15 HD1 LYS 15 21.871 4.923 2.794
117 HE2 LYS 15 HE2 LYS 15 21.689 3.956 5.064
118 HE3 LYS 15 HE1 LYS 15 23.183 4.793 5.535
119 HZ1 LYS 15 HZ1 LYS 15 20.790 6.149 4.410
120 HZ2 LYS 15 HZ2 LYS 15 22.191 6.893 5.020
121 HZ3 LYS 15 HZ3 LYS 15 21.139 6.066 6.068
122 H ASN 16 HN ASN 16 22.406 0.105 4.576
123 HA ASN 16 HA ASN 16 24.625 0.396 6.389
124 HB2 ASN 16 HB2 ASN 16 22.090 0.009 6.784
125 HB3 ASN 16 HB1 ASN 16 22.455 -1.699 6.541
126 HD21 ASN 16 HD21 ASN 16 23.955 -2.732 8.097
127 HD22 ASN 16 HD22 ASN 16 24.212 -2.043 9.626
128 H LEU 17 HN LEU 17 24.066 -1.773 3.789
129 HA LEU 17 HA LEU 17 25.462 -4.098 4.814
130 HB2 LEU 17 HB2 LEU 17 23.926 -4.397 3.030
131 HB3 LEU 17 HB1 LEU 17 24.588 -3.041 2.120
132 HG LEU 17 HG LEU 17 26.647 -4.293 1.695
133 HD11 LEU 17 HD11 LEU 17 25.311 -6.336 3.477
134 HD12 LEU 17 HD12 LEU 17 26.923 -5.637 3.634
135 HD13 LEU 17 HD13 LEU 17 26.584 -6.790 2.343
136 HD21 LEU 17 HD21 LEU 17 25.379 -6.404 0.604
137 HD22 LEU 17 HD22 LEU 17 25.256 -4.780 -0.072
138 HD23 LEU 17 HD23 LEU 17 23.977 -5.401 0.972
139 H ILE 18 HN ILE 18 26.429 -1.721 2.299
140 HA ILE 18 HA ILE 18 29.252 -1.950 3.281
141 HB ILE 18 HB ILE 18 29.896 -2.001 0.841
142 HG12 ILE 18 HG12 ILE 18 26.943 -2.560 0.450
143 HG13 ILE 18 HG11 ILE 18 27.714 -1.021 0.074
144 HG21 ILE 18 HG21 ILE 18 28.473 -4.405 0.690
145 HG22 ILE 18 HG22 ILE 18 28.655 -4.114 2.420
146 HG23 ILE 18 HG23 ILE 18 30.079 -4.184 1.383
147 HD11 ILE 18 HD11 ILE 18 28.403 -3.709 -1.147
148 HD12 ILE 18 HD12 ILE 18 29.263 -2.205 -1.474
149 HD13 ILE 18 HD13 ILE 18 27.576 -2.378 -1.956
150 H LYS 19 HN LYS 19 27.011 0.148 3.404
151 HA LYS 19 HA LYS 19 28.612 2.389 2.217
152 HB2 LYS 19 HB2 LYS 19 25.601 2.393 2.344
153 HB3 LYS 19 HB1 LYS 19 26.660 3.297 1.264
154 HG2 LYS 19 HG2 LYS 19 27.361 0.885 0.434
155 HG3 LYS 19 HG1 LYS 19 25.794 0.428 1.103
156 HD2 LYS 19 HD2 LYS 19 24.630 1.553 -0.507
157 HD3 LYS 19 HD1 LYS 19 25.797 2.874 -0.571
158 HE2 LYS 19 HE2 LYS 19 27.388 1.203 -1.723
159 HE3 LYS 19 HE1 LYS 19 25.953 0.181 -1.944
160 HZ1 LYS 19 HZ1 LYS 19 24.835 1.915 -3.076
161 HZ2 LYS 19 HZ2 LYS 19 26.377 1.812 -3.783
162 HZ3 LYS 19 HZ3 LYS 19 26.027 3.055 -2.678
163 HN1 NH2 20 HN1 NH2 20 27.822 1.112 5.094
164 HN2 NH2 20 HN2 NH2 20 27.496 2.507 6.002
Start of MODEL 4
1 H1 ASP 1 HT1 ASP 1 1.208 5.403 -4.446
2 H2 ASP 1 HT2 ASP 1 0.333 4.659 -5.699
3 H3 ASP 1 HT3 ASP 1 1.693 3.887 -5.033
4 HA ASP 1 HA ASP 1 -0.812 4.475 -3.534
5 HB2 ASP 1 HB2 ASP 1 -0.942 2.869 -5.492
6 HB3 ASP 1 HB1 ASP 1 0.252 1.869 -4.665
7 H ILE 2 HN ILE 2 1.938 2.169 -3.651
8 HA ILE 2 HA ILE 2 2.715 2.915 -0.895
9 HB ILE 2 HB ILE 2 0.819 1.284 -0.752
10 HG12 ILE 2 HG12 ILE 2 2.213 -0.476 0.587
11 HG13 ILE 2 HG11 ILE 2 3.582 0.570 0.208
12 HG21 ILE 2 HG21 ILE 2 2.620 -0.881 -1.748
13 HG22 ILE 2 HG22 ILE 2 1.803 0.123 -2.947
14 HG23 ILE 2 HG23 ILE 2 0.859 -0.788 -1.766
15 HD11 ILE 2 HD11 ILE 2 2.922 1.595 2.154
16 HD12 ILE 2 HD12 ILE 2 1.245 1.078 1.980
17 HD13 ILE 2 HD13 ILE 2 1.848 2.446 1.045
18 H PHE 3 HN PHE 3 4.345 3.382 -2.966
19 HA PHE 3 HA PHE 3 6.295 1.098 -2.954
20 HB2 PHE 3 HB2 PHE 3 5.872 3.125 -5.168
21 HB3 PHE 3 HB1 PHE 3 6.759 1.603 -5.258
22 HD1 PHE 3 HD1 PHE 3 5.304 -0.533 -4.507
23 HD2 PHE 3 HD2 PHE 3 3.707 3.155 -6.025
24 HE1 PHE 3 HE1 PHE 3 3.217 -1.704 -5.158
25 HE2 PHE 3 HE2 PHE 3 1.621 1.983 -6.676
26 HZ PHE 3 HZ PHE 3 1.376 -0.447 -6.244
27 H GLY 4 HN GLY 4 5.799 4.594 -2.833
28 HA2 GLY 4 HA2 GLY 4 8.602 5.297 -2.834
29 HA3 GLY 4 HA1 GLY 4 7.279 6.346 -2.323
30 H ALA 5 HN ALA 5 6.456 4.032 -0.429
31 HA ALA 5 HA ALA 5 8.091 4.979 1.843
32 HB1 ALA 5 HB1 ALA 5 6.293 4.210 3.120
33 HB2 ALA 5 HB2 ALA 5 5.915 2.915 1.985
34 HB3 ALA 5 HB3 ALA 5 5.490 4.581 1.593
35 H ILE 6 HN ILE 6 7.359 1.921 0.161
36 HA ILE 6 HA ILE 6 9.093 0.333 1.897
37 HB ILE 6 HB ILE 6 7.057 -0.524 0.777
38 HG12 ILE 6 HG12 ILE 6 9.214 -2.034 -0.609
39 HG13 ILE 6 HG11 ILE 6 9.387 -1.848 1.137
40 HG21 ILE 6 HG21 ILE 6 8.309 -0.768 -1.869
41 HG22 ILE 6 HG22 ILE 6 7.976 0.901 -1.407
42 HG23 ILE 6 HG23 ILE 6 6.668 -0.282 -1.442
43 HD11 ILE 6 HD11 ILE 6 6.733 -2.683 0.012
44 HD12 ILE 6 HD12 ILE 6 7.431 -3.028 1.595
45 HD13 ILE 6 HD13 ILE 6 8.019 -3.881 0.168
46 H TRP 7 HN TRP 7 9.657 2.433 -0.747
47 HA TRP 7 HA TRP 7 11.897 0.998 -1.938
48 HB2 TRP 7 HB2 TRP 7 10.394 3.492 -2.262
49 HB3 TRP 7 HB1 TRP 7 12.118 3.702 -2.569
50 HD1 TRP 7 HD1 TRP 7 9.895 0.639 -3.347
51 HE1 TRP 7 HE1 TRP 7 10.084 0.126 -5.866
52 HE3 TRP 7 HE3 TRP 7 12.855 4.532 -4.819
53 HZ2 TRP 7 HZ2 TRP 7 11.328 1.221 -8.198
54 HZ3 TRP 7 HZ3 TRP 7 13.526 4.772 -7.192
55 HH2 TRP 7 HH2 TRP 7 12.767 3.124 -8.882
56 HA PRO 8 HA PRO 8 14.418 4.366 0.572
57 HB2 PRO 8 HB2 PRO 8 12.523 4.795 2.817
58 HB3 PRO 8 HB1 PRO 8 13.528 5.976 1.952
59 HG2 PRO 8 HG2 PRO 8 10.865 5.809 1.614
60 HG3 PRO 8 HG1 PRO 8 11.970 6.312 0.326
61 HD2 PRO 8 HD2 PRO 8 10.502 3.766 0.655
62 HD3 PRO 8 HD1 PRO 8 11.056 4.581 -0.821
63 H LEU 9 HN LEU 9 12.225 1.989 1.943
64 HA LEU 9 HA LEU 9 13.810 1.297 4.255
65 HB2 LEU 9 HB2 LEU 9 11.414 0.803 3.988
66 HB3 LEU 9 HB1 LEU 9 11.773 -0.248 2.617
67 HG LEU 9 HG LEU 9 13.418 -1.014 4.858
68 HD11 LEU 9 HD11 LEU 9 11.647 -0.003 6.243
69 HD12 LEU 9 HD12 LEU 9 11.625 -1.761 6.389
70 HD13 LEU 9 HD13 LEU 9 10.429 -0.944 5.382
71 HD21 LEU 9 HD21 LEU 9 12.586 -2.336 2.815
72 HD22 LEU 9 HD22 LEU 9 11.064 -2.512 3.687
73 HD23 LEU 9 HD23 LEU 9 12.551 -3.178 4.364
74 H ALA 10 HN ALA 10 13.371 -0.418 1.126
75 HA ALA 10 HA ALA 10 15.393 -2.376 1.525
76 HB1 ALA 10 HB1 ALA 10 15.055 -2.821 -0.774
77 HB2 ALA 10 HB2 ALA 10 14.725 -1.127 -1.139
78 HB3 ALA 10 HB3 ALA 10 13.530 -2.091 -0.270
79 H LEU 11 HN LEU 11 15.571 0.951 0.360
80 HA LEU 11 HA LEU 11 18.298 0.842 -0.591
81 HB2 LEU 11 HB2 LEU 11 16.481 3.076 0.366
82 HB3 LEU 11 HB1 LEU 11 18.038 3.350 -0.417
83 HG LEU 11 HG LEU 11 15.802 1.728 -1.660
84 HD11 LEU 11 HD11 LEU 11 16.579 4.633 -2.050
85 HD12 LEU 11 HD12 LEU 11 15.043 4.029 -1.426
86 HD13 LEU 11 HD13 LEU 11 15.483 3.747 -3.111
87 HD21 LEU 11 HD21 LEU 11 17.722 1.087 -2.789
88 HD22 LEU 11 HD22 LEU 11 18.546 2.612 -2.464
89 HD23 LEU 11 HD23 LEU 11 17.303 2.529 -3.713
90 H GLY 12 HN GLY 12 16.796 1.731 2.514
91 HA2 GLY 12 HA2 GLY 12 19.249 2.570 3.776
92 HA3 GLY 12 HA1 GLY 12 17.767 2.117 4.622
93 H ALA 13 HN ALA 13 17.788 -0.535 3.160
94 HA ALA 13 HA ALA 13 19.338 -2.011 5.148
95 HB1 ALA 13 HB1 ALA 13 18.510 -3.885 3.434
96 HB2 ALA 13 HB2 ALA 13 17.499 -2.564 2.850
97 HB3 ALA 13 HB3 ALA 13 17.376 -3.093 4.528
98 H LEU 14 HN LEU 14 19.588 -1.366 1.657
99 HA LEU 14 HA LEU 14 21.997 -2.966 1.297
100 HB2 LEU 14 HB2 LEU 14 20.690 -0.783 -0.364
101 HB3 LEU 14 HB1 LEU 14 21.936 -1.890 -0.943
102 HG LEU 14 HG LEU 14 19.227 -2.739 0.129
103 HD11 LEU 14 HD11 LEU 14 18.675 -3.246 -2.192
104 HD12 LEU 14 HD12 LEU 14 20.275 -2.720 -2.717
105 HD13 LEU 14 HD13 LEU 14 19.131 -1.547 -2.065
106 HD21 LEU 14 HD21 LEU 14 20.086 -4.884 -1.164
107 HD22 LEU 14 HD22 LEU 14 20.609 -4.581 0.493
108 HD23 LEU 14 HD23 LEU 14 21.673 -4.177 -0.855
109 H LYS 15 HN LYS 15 21.347 0.192 2.531
110 HA LYS 15 HA LYS 15 23.887 1.416 1.767
111 HB2 LYS 15 HB2 LYS 15 21.430 2.266 2.632
112 HB3 LYS 15 HB1 LYS 15 22.380 2.422 4.109
113 HG2 LYS 15 HG2 LYS 15 23.835 3.406 1.776
114 HG3 LYS 15 HG1 LYS 15 22.304 4.252 2.002
115 HD2 LYS 15 HD2 LYS 15 24.347 3.825 4.201
116 HD3 LYS 15 HD1 LYS 15 24.211 5.303 3.249
117 HE2 LYS 15 HE2 LYS 15 21.690 4.306 4.487
118 HE3 LYS 15 HE1 LYS 15 22.902 4.997 5.586
119 HZ1 LYS 15 HZ1 LYS 15 21.849 6.262 3.111
120 HZ2 LYS 15 HZ2 LYS 15 23.093 6.902 4.076
121 HZ3 LYS 15 HZ3 LYS 15 21.519 6.753 4.700
122 H ASN 16 HN ASN 16 22.548 0.164 4.850
123 HA ASN 16 HA ASN 16 24.955 0.497 6.377
124 HB2 ASN 16 HB2 ASN 16 22.351 -0.930 6.562
125 HB3 ASN 16 HB1 ASN 16 23.637 -1.521 7.615
126 HD21 ASN 16 HD21 ASN 16 24.323 -0.160 9.367
127 HD22 ASN 16 HD22 ASN 16 23.555 1.306 9.743
128 H LEU 17 HN LEU 17 24.181 -1.710 3.873
129 HA LEU 17 HA LEU 17 25.706 -4.003 4.775
130 HB2 LEU 17 HB2 LEU 17 24.023 -4.362 3.153
131 HB3 LEU 17 HB1 LEU 17 24.533 -2.978 2.189
132 HG LEU 17 HG LEU 17 26.575 -4.152 1.528
133 HD11 LEU 17 HD11 LEU 17 25.485 -6.397 3.257
134 HD12 LEU 17 HD12 LEU 17 26.947 -5.460 3.566
135 HD13 LEU 17 HD13 LEU 17 26.871 -6.543 2.176
136 HD21 LEU 17 HD21 LEU 17 23.903 -5.455 1.135
137 HD22 LEU 17 HD22 LEU 17 25.338 -6.254 0.490
138 HD23 LEU 17 HD23 LEU 17 24.923 -4.623 -0.039
139 H ILE 18 HN ILE 18 26.398 -1.594 2.196
140 HA ILE 18 HA ILE 18 29.303 -1.787 2.900
141 HB ILE 18 HB ILE 18 29.719 -1.857 0.411
142 HG12 ILE 18 HG12 ILE 18 26.753 -2.467 0.300
143 HG13 ILE 18 HG11 ILE 18 27.459 -0.916 -0.152
144 HG21 ILE 18 HG21 ILE 18 28.756 -3.960 2.141
145 HG22 ILE 18 HG22 ILE 18 29.965 -4.048 0.862
146 HG23 ILE 18 HG23 ILE 18 28.260 -4.280 0.480
147 HD11 ILE 18 HD11 ILE 18 27.054 -2.887 -1.942
148 HD12 ILE 18 HD12 ILE 18 28.667 -3.337 -1.388
149 HD13 ILE 18 HD13 ILE 18 28.388 -1.741 -2.082
150 H LYS 19 HN LYS 19 27.004 0.271 3.152
151 HA LYS 19 HA LYS 19 28.448 2.517 1.783
152 HB2 LYS 19 HB2 LYS 19 25.470 2.407 2.288
153 HB3 LYS 19 HB1 LYS 19 26.345 3.419 1.142
154 HG2 LYS 19 HG2 LYS 19 27.072 0.959 0.249
155 HG3 LYS 19 HG1 LYS 19 25.465 0.596 0.880
156 HD2 LYS 19 HD2 LYS 19 25.690 3.081 -0.729
157 HD3 LYS 19 HD1 LYS 19 25.895 1.570 -1.616
158 HE2 LYS 19 HE2 LYS 19 23.742 0.757 -0.520
159 HE3 LYS 19 HE1 LYS 19 23.505 2.423 0.047
160 HZ1 LYS 19 HZ1 LYS 19 24.060 1.706 -2.781
161 HZ2 LYS 19 HZ2 LYS 19 23.615 3.230 -2.173
162 HZ3 LYS 19 HZ3 LYS 19 22.496 1.950 -2.170
163 HN1 NH2 20 HN1 NH2 20 29.187 1.955 4.406
164 HN2 NH2 20 HN2 NH2 20 28.492 3.070 5.479
Start of MODEL 5
1 H1 ASP 1 HT1 ASP 1 -3.347 1.195 -1.117
2 H2 ASP 1 HT2 ASP 1 -2.354 2.392 -0.433
3 H3 ASP 1 HT3 ASP 1 -2.371 0.822 0.218
4 HA ASP 1 HA ASP 1 -1.289 -0.086 -1.683
5 HB2 ASP 1 HB2 ASP 1 -0.889 1.420 -3.633
6 HB3 ASP 1 HB1 ASP 1 -2.606 1.225 -3.283
7 H ILE 2 HN ILE 2 0.848 -0.281 -1.162
8 HA ILE 2 HA ILE 2 2.315 2.169 -0.230
9 HB ILE 2 HB ILE 2 2.494 -0.716 0.694
10 HG12 ILE 2 HG12 ILE 2 0.446 0.431 1.454
11 HG13 ILE 2 HG11 ILE 2 1.550 0.173 2.805
12 HG21 ILE 2 HG21 ILE 2 3.886 0.446 2.549
13 HG22 ILE 2 HG22 ILE 2 4.041 1.775 1.401
14 HG23 ILE 2 HG23 ILE 2 4.659 0.176 0.987
15 HD11 ILE 2 HD11 ILE 2 0.996 2.740 1.310
16 HD12 ILE 2 HD12 ILE 2 2.431 2.543 2.317
17 HD13 ILE 2 HD13 ILE 2 0.825 2.424 3.037
18 H PHE 3 HN PHE 3 3.309 2.522 -2.301
19 HA PHE 3 HA PHE 3 5.248 0.382 -3.124
20 HB2 PHE 3 HB2 PHE 3 3.821 2.372 -4.913
21 HB3 PHE 3 HB1 PHE 3 4.779 0.984 -5.422
22 HD1 PHE 3 HD1 PHE 3 3.831 -1.097 -3.513
23 HD2 PHE 3 HD2 PHE 3 1.649 1.891 -5.696
24 HE1 PHE 3 HE1 PHE 3 1.799 -2.516 -3.423
25 HE2 PHE 3 HE2 PHE 3 -0.382 0.473 -5.605
26 HZ PHE 3 HZ PHE 3 -0.309 -1.728 -4.470
27 H GLY 4 HN GLY 4 5.010 3.412 -1.786
28 HA2 GLY 4 HA2 GLY 4 7.518 4.356 -3.114
29 HA3 GLY 4 HA1 GLY 4 6.331 5.436 -2.379
30 H ALA 5 HN ALA 5 5.914 3.718 -0.038
31 HA ALA 5 HA ALA 5 8.072 4.733 1.629
32 HB1 ALA 5 HB1 ALA 5 5.977 4.640 2.661
33 HB2 ALA 5 HB2 ALA 5 6.730 3.170 3.282
34 HB3 ALA 5 HB3 ALA 5 5.585 3.077 1.943
35 H ILE 6 HN ILE 6 7.346 1.664 0.077
36 HA ILE 6 HA ILE 6 9.255 0.109 1.648
37 HB ILE 6 HB ILE 6 7.229 -0.844 0.620
38 HG12 ILE 6 HG12 ILE 6 9.597 -1.977 -0.874
39 HG13 ILE 6 HG11 ILE 6 9.446 -2.154 0.874
40 HG21 ILE 6 HG21 ILE 6 6.847 0.371 -1.348
41 HG22 ILE 6 HG22 ILE 6 7.433 -1.173 -1.967
42 HG23 ILE 6 HG23 ILE 6 8.520 0.213 -1.887
43 HD11 ILE 6 HD11 ILE 6 7.789 -3.696 0.693
44 HD12 ILE 6 HD12 ILE 6 8.349 -3.874 -0.970
45 HD13 ILE 6 HD13 ILE 6 6.987 -2.814 -0.606
46 H TRP 7 HN TRP 7 9.698 2.470 -0.695
47 HA TRP 7 HA TRP 7 11.904 1.158 -2.141
48 HB2 TRP 7 HB2 TRP 7 10.221 3.533 -2.332
49 HB3 TRP 7 HB1 TRP 7 11.914 3.919 -2.636
50 HD1 TRP 7 HD1 TRP 7 10.031 0.675 -3.553
51 HE1 TRP 7 HE1 TRP 7 10.227 0.324 -6.100
52 HE3 TRP 7 HE3 TRP 7 12.473 4.968 -4.852
53 HZ2 TRP 7 HZ2 TRP 7 11.278 1.684 -8.385
54 HZ3 TRP 7 HZ3 TRP 7 13.058 5.415 -7.219
55 HH2 TRP 7 HH2 TRP 7 12.464 3.779 -8.985
56 HA PRO 8 HA PRO 8 14.352 4.553 0.381
57 HB2 PRO 8 HB2 PRO 8 12.527 4.898 2.691
58 HB3 PRO 8 HB1 PRO 8 13.438 6.124 1.789
59 HG2 PRO 8 HG2 PRO 8 10.772 5.834 1.570
60 HG3 PRO 8 HG1 PRO 8 11.793 6.400 0.240
61 HD2 PRO 8 HD2 PRO 8 10.469 3.779 0.609
62 HD3 PRO 8 HD1 PRO 8 10.909 4.637 -0.881
63 H LEU 9 HN LEU 9 12.271 2.112 1.817
64 HA LEU 9 HA LEU 9 13.940 1.445 4.066
65 HB2 LEU 9 HB2 LEU 9 11.552 0.869 3.826
66 HB3 LEU 9 HB1 LEU 9 11.939 -0.177 2.460
67 HG LEU 9 HG LEU 9 13.676 -1.112 4.369
68 HD11 LEU 9 HD11 LEU 9 11.192 -0.049 5.708
69 HD12 LEU 9 HD12 LEU 9 12.872 0.102 6.223
70 HD13 LEU 9 HD13 LEU 9 12.043 -1.448 6.361
71 HD21 LEU 9 HD21 LEU 9 10.963 -1.909 3.392
72 HD22 LEU 9 HD22 LEU 9 11.640 -2.801 4.755
73 HD23 LEU 9 HD23 LEU 9 12.506 -2.745 3.220
74 H ALA 10 HN ALA 10 13.504 -0.237 0.919
75 HA ALA 10 HA ALA 10 15.575 -2.146 1.237
76 HB1 ALA 10 HB1 ALA 10 14.121 -0.826 -1.020
77 HB2 ALA 10 HB2 ALA 10 14.175 -2.531 -0.574
78 HB3 ALA 10 HB3 ALA 10 15.540 -1.796 -1.414
79 H LEU 11 HN LEU 11 15.684 1.205 0.109
80 HA LEU 11 HA LEU 11 18.418 1.178 -0.804
81 HB2 LEU 11 HB2 LEU 11 16.552 3.357 0.187
82 HB3 LEU 11 HB1 LEU 11 18.104 3.675 -0.589
83 HG LEU 11 HG LEU 11 15.914 2.020 -1.868
84 HD11 LEU 11 HD11 LEU 11 16.597 4.956 -2.203
85 HD12 LEU 11 HD12 LEU 11 15.086 4.294 -1.578
86 HD13 LEU 11 HD13 LEU 11 15.521 4.054 -3.270
87 HD21 LEU 11 HD21 LEU 11 17.814 1.467 -3.050
88 HD22 LEU 11 HD22 LEU 11 18.643 2.962 -2.621
89 HD23 LEU 11 HD23 LEU 11 17.415 2.967 -3.887
90 H GLY 12 HN GLY 12 16.892 2.037 2.307
91 HA2 GLY 12 HA2 GLY 12 19.346 2.858 3.582
92 HA3 GLY 12 HA1 GLY 12 17.862 2.405 4.421
93 H ALA 13 HN ALA 13 17.892 -0.239 2.937
94 HA ALA 13 HA ALA 13 19.430 -1.726 4.925
95 HB1 ALA 13 HB1 ALA 13 17.742 -3.118 4.338
96 HB2 ALA 13 HB2 ALA 13 18.595 -3.411 2.823
97 HB3 ALA 13 HB3 ALA 13 17.372 -2.144 2.916
98 H LEU 14 HN LEU 14 19.714 -1.000 1.462
99 HA LEU 14 HA LEU 14 22.055 -2.629 0.990
100 HB2 LEU 14 HB2 LEU 14 20.849 -0.218 -0.406
101 HB3 LEU 14 HB1 LEU 14 22.134 -1.214 -1.091
102 HG LEU 14 HG LEU 14 19.434 -2.287 -0.221
103 HD11 LEU 14 HD11 LEU 14 20.477 -1.683 -3.005
104 HD12 LEU 14 HD12 LEU 14 19.251 -0.743 -2.156
105 HD13 LEU 14 HD13 LEU 14 18.919 -2.413 -2.617
106 HD21 LEU 14 HD21 LEU 14 20.860 -4.125 -0.194
107 HD22 LEU 14 HD22 LEU 14 21.925 -3.446 -1.425
108 HD23 LEU 14 HD23 LEU 14 20.366 -4.130 -1.887
109 H LYS 15 HN LYS 15 21.557 0.459 2.500
110 HA LYS 15 HA LYS 15 24.274 1.460 1.991
111 HB2 LYS 15 HB2 LYS 15 22.255 2.899 2.258
112 HB3 LYS 15 HB1 LYS 15 22.096 2.334 3.921
113 HG2 LYS 15 HG2 LYS 15 24.750 3.153 3.770
114 HG3 LYS 15 HG1 LYS 15 23.891 4.362 2.816
115 HD2 LYS 15 HD2 LYS 15 23.702 5.260 4.958
116 HD3 LYS 15 HD1 LYS 15 22.204 4.335 4.839
117 HE2 LYS 15 HE2 LYS 15 22.847 2.904 6.486
118 HE3 LYS 15 HE1 LYS 15 24.473 2.722 5.797
119 HZ1 LYS 15 HZ1 LYS 15 24.911 5.040 6.590
120 HZ2 LYS 15 HZ2 LYS 15 24.726 3.893 7.828
121 HZ3 LYS 15 HZ3 LYS 15 23.457 4.961 7.460
122 H ASN 16 HN ASN 16 22.489 0.106 4.778
123 HA ASN 16 HA ASN 16 24.755 0.205 6.585
124 HB2 ASN 16 HB2 ASN 16 22.266 0.121 7.119
125 HB3 ASN 16 HB1 ASN 16 22.312 -1.587 6.680
126 HD21 ASN 16 HD21 ASN 16 23.870 0.773 8.904
127 HD22 ASN 16 HD22 ASN 16 24.210 -0.366 10.116
128 H LEU 17 HN LEU 17 24.122 -1.732 3.886
129 HA LEU 17 HA LEU 17 25.210 -4.252 4.877
130 HB2 LEU 17 HB2 LEU 17 23.660 -4.403 3.106
131 HB3 LEU 17 HB1 LEU 17 24.375 -3.045 2.243
132 HG LEU 17 HG LEU 17 26.341 -4.385 1.687
133 HD11 LEU 17 HD11 LEU 17 26.069 -6.934 2.233
134 HD12 LEU 17 HD12 LEU 17 24.998 -6.364 3.513
135 HD13 LEU 17 HD13 LEU 17 26.686 -5.853 3.483
136 HD21 LEU 17 HD21 LEU 17 23.673 -5.704 1.118
137 HD22 LEU 17 HD22 LEU 17 25.172 -6.177 0.319
138 HD23 LEU 17 HD23 LEU 17 24.534 -4.547 0.103
139 H ILE 18 HN ILE 18 26.401 -1.860 2.466
140 HA ILE 18 HA ILE 18 29.188 -2.430 3.403
141 HB ILE 18 HB ILE 18 29.821 -2.468 0.959
142 HG12 ILE 18 HG12 ILE 18 26.825 -2.712 0.572
143 HG13 ILE 18 HG11 ILE 18 27.756 -1.256 0.220
144 HG21 ILE 18 HG21 ILE 18 29.778 -4.683 1.349
145 HG22 ILE 18 HG22 ILE 18 28.106 -4.707 0.793
146 HG23 ILE 18 HG23 ILE 18 28.462 -4.498 2.506
147 HD11 ILE 18 HD11 ILE 18 28.453 -3.937 -0.990
148 HD12 ILE 18 HD12 ILE 18 28.995 -2.339 -1.503
149 HD13 ILE 18 HD13 ILE 18 27.319 -2.827 -1.761
150 H LYS 19 HN LYS 19 27.136 -0.118 3.548
151 HA LYS 19 HA LYS 19 28.973 1.981 2.444
152 HB2 LYS 19 HB2 LYS 19 25.965 2.216 2.571
153 HB3 LYS 19 HB1 LYS 19 27.090 3.149 1.589
154 HG2 LYS 19 HG2 LYS 19 27.641 0.677 0.652
155 HG3 LYS 19 HG1 LYS 19 25.956 0.438 1.114
156 HD2 LYS 19 HD2 LYS 19 25.598 1.276 -0.995
157 HD3 LYS 19 HD1 LYS 19 25.714 2.810 -0.132
158 HE2 LYS 19 HE2 LYS 19 28.367 2.257 -0.647
159 HE3 LYS 19 HE1 LYS 19 27.562 1.644 -2.106
160 HZ1 LYS 19 HZ1 LYS 19 28.015 4.034 -2.262
161 HZ2 LYS 19 HZ2 LYS 19 27.077 4.306 -0.872
162 HZ3 LYS 19 HZ3 LYS 19 26.350 3.712 -2.289
163 HN1 NH2 20 HN1 NH2 20 29.239 1.201 5.132
164 HN2 NH2 20 HN2 NH2 20 28.567 2.380 6.151
Start of MODEL 6
1 H1 ASP 1 HT1 ASP 1 -0.904 3.718 -2.306
2 H2 ASP 1 HT2 ASP 1 -1.699 4.013 -0.834
3 H3 ASP 1 HT3 ASP 1 -2.473 3.126 -2.059
4 HA ASP 1 HA ASP 1 -1.643 1.671 -0.274
5 HB2 ASP 1 HB2 ASP 1 -1.473 1.518 -3.068
6 HB3 ASP 1 HB1 ASP 1 0.086 0.917 -2.504
7 H ILE 2 HN ILE 2 0.928 0.413 -0.722
8 HA ILE 2 HA ILE 2 2.635 2.300 0.812
9 HB ILE 2 HB ILE 2 2.918 -0.645 0.120
10 HG12 ILE 2 HG12 ILE 2 2.363 -0.592 2.759
11 HG13 ILE 2 HG11 ILE 2 1.479 0.850 2.259
12 HG21 ILE 2 HG21 ILE 2 4.591 1.300 1.595
13 HG22 ILE 2 HG22 ILE 2 5.045 -0.220 0.825
14 HG23 ILE 2 HG23 ILE 2 4.313 -0.228 2.430
15 HD11 ILE 2 HD11 ILE 2 1.125 -1.503 0.502
16 HD12 ILE 2 HD12 ILE 2 -0.069 -0.346 1.090
17 HD13 ILE 2 HD13 ILE 2 0.456 -1.674 2.124
18 H PHE 3 HN PHE 3 2.367 3.023 -1.911
19 HA PHE 3 HA PHE 3 4.790 2.000 -3.298
20 HB2 PHE 3 HB2 PHE 3 2.606 3.947 -4.121
21 HB3 PHE 3 HB1 PHE 3 3.837 3.277 -5.191
22 HD1 PHE 3 HD1 PHE 3 0.557 3.017 -4.773
23 HD2 PHE 3 HD2 PHE 3 3.996 0.472 -4.381
24 HE1 PHE 3 HE1 PHE 3 -0.870 1.027 -5.162
25 HE2 PHE 3 HE2 PHE 3 2.567 -1.518 -4.769
26 HZ PHE 3 HZ PHE 3 0.134 -1.239 -5.159
27 H GLY 4 HN GLY 4 6.436 3.014 -1.994
28 HA2 GLY 4 HA2 GLY 4 7.718 5.239 -2.719
29 HA3 GLY 4 HA1 GLY 4 6.401 5.970 -1.798
30 H ALA 5 HN ALA 5 6.293 3.692 0.090
31 HA ALA 5 HA ALA 5 8.526 4.559 1.843
32 HB1 ALA 5 HB1 ALA 5 6.947 2.828 3.269
33 HB2 ALA 5 HB2 ALA 5 5.802 3.437 2.074
34 HB3 ALA 5 HB3 ALA 5 6.646 4.561 3.139
35 H ILE 6 HN ILE 6 7.277 1.680 0.212
36 HA ILE 6 HA ILE 6 9.028 -0.225 1.502
37 HB ILE 6 HB ILE 6 6.909 -0.777 0.360
38 HG12 ILE 6 HG12 ILE 6 9.285 -2.009 -1.071
39 HG13 ILE 6 HG11 ILE 6 8.748 -2.475 0.543
40 HG21 ILE 6 HG21 ILE 6 8.089 -0.565 -2.344
41 HG22 ILE 6 HG22 ILE 6 7.734 0.977 -1.568
42 HG23 ILE 6 HG23 ILE 6 6.450 -0.210 -1.800
43 HD11 ILE 6 HD11 ILE 6 7.492 -3.015 -2.101
44 HD12 ILE 6 HD12 ILE 6 6.400 -2.684 -0.757
45 HD13 ILE 6 HD13 ILE 6 7.545 -4.022 -0.655
46 H TRP 7 HN TRP 7 9.619 2.215 -0.842
47 HA TRP 7 HA TRP 7 11.832 0.787 -2.166
48 HB2 TRP 7 HB2 TRP 7 10.273 3.275 -2.463
49 HB3 TRP 7 HB1 TRP 7 11.970 3.430 -2.916
50 HD1 TRP 7 HD1 TRP 7 10.120 0.126 -3.362
51 HE1 TRP 7 HE1 TRP 7 9.908 -0.381 -5.880
52 HE3 TRP 7 HE3 TRP 7 11.846 4.527 -5.298
53 HZ2 TRP 7 HZ2 TRP 7 10.402 0.910 -8.385
54 HZ3 TRP 7 HZ3 TRP 7 11.962 4.861 -7.751
55 HH2 TRP 7 HH2 TRP 7 11.244 3.059 -9.295
56 HA PRO 8 HA PRO 8 14.289 4.327 0.203
57 HB2 PRO 8 HB2 PRO 8 12.394 4.655 2.476
58 HB3 PRO 8 HB1 PRO 8 13.375 5.879 1.643
59 HG2 PRO 8 HG2 PRO 8 10.725 5.662 1.274
60 HG3 PRO 8 HG1 PRO 8 11.828 6.196 -0.001
61 HD2 PRO 8 HD2 PRO 8 10.388 3.636 0.280
62 HD3 PRO 8 HD1 PRO 8 10.985 4.456 -1.177
63 H LEU 9 HN LEU 9 12.244 1.862 1.654
64 HA LEU 9 HA LEU 9 13.888 1.251 3.933
65 HB2 LEU 9 HB2 LEU 9 11.540 0.580 3.672
66 HB3 LEU 9 HB1 LEU 9 11.966 -0.419 2.281
67 HG LEU 9 HG LEU 9 13.722 -1.231 4.321
68 HD11 LEU 9 HD11 LEU 9 12.289 -1.749 6.207
69 HD12 LEU 9 HD12 LEU 9 10.878 -1.100 5.370
70 HD13 LEU 9 HD13 LEU 9 12.170 -0.018 5.891
71 HD21 LEU 9 HD21 LEU 9 12.825 -3.317 3.865
72 HD22 LEU 9 HD22 LEU 9 12.238 -2.433 2.457
73 HD23 LEU 9 HD23 LEU 9 11.167 -2.714 3.831
74 H ALA 10 HN ALA 10 13.565 -0.497 0.808
75 HA ALA 10 HA ALA 10 15.718 -2.303 1.186
76 HB1 ALA 10 HB1 ALA 10 14.609 -0.994 -1.319
77 HB2 ALA 10 HB2 ALA 10 14.027 -2.486 -0.579
78 HB3 ALA 10 HB3 ALA 10 15.631 -2.431 -1.312
79 H LEU 11 HN LEU 11 15.687 1.012 -0.063
80 HA LEU 11 HA LEU 11 18.410 1.107 -0.961
81 HB2 LEU 11 HB2 LEU 11 16.507 3.229 0.086
82 HB3 LEU 11 HB1 LEU 11 18.008 3.577 -0.773
83 HG LEU 11 HG LEU 11 15.773 1.874 -1.908
84 HD11 LEU 11 HD11 LEU 11 16.393 4.588 -2.971
85 HD12 LEU 11 HD12 LEU 11 15.497 4.509 -1.454
86 HD13 LEU 11 HD13 LEU 11 14.851 3.733 -2.900
87 HD21 LEU 11 HD21 LEU 11 17.128 2.660 -4.038
88 HD22 LEU 11 HD22 LEU 11 17.696 1.288 -3.087
89 HD23 LEU 11 HD23 LEU 11 18.434 2.876 -2.873
90 H GLY 12 HN GLY 12 16.884 1.905 2.166
91 HA2 GLY 12 HA2 GLY 12 19.338 2.785 3.415
92 HA3 GLY 12 HA1 GLY 12 17.861 2.330 4.267
93 H ALA 13 HN ALA 13 17.933 -0.329 2.775
94 HA ALA 13 HA ALA 13 19.430 -1.805 4.795
95 HB1 ALA 13 HB1 ALA 13 17.244 -2.294 3.325
96 HB2 ALA 13 HB2 ALA 13 18.267 -3.607 3.910
97 HB3 ALA 13 HB3 ALA 13 18.435 -3.030 2.252
98 H LEU 14 HN LEU 14 19.823 -1.113 1.325
99 HA LEU 14 HA LEU 14 22.229 -2.682 0.981
100 HB2 LEU 14 HB2 LEU 14 21.131 -0.291 -0.541
101 HB3 LEU 14 HB1 LEU 14 22.334 -1.428 -1.149
102 HG LEU 14 HG LEU 14 19.585 -2.293 -0.226
103 HD11 LEU 14 HD11 LEU 14 20.007 -2.379 -3.096
104 HD12 LEU 14 HD12 LEU 14 20.168 -0.730 -2.491
105 HD13 LEU 14 HD13 LEU 14 18.689 -1.640 -2.187
106 HD21 LEU 14 HD21 LEU 14 21.834 -3.771 -0.641
107 HD22 LEU 14 HD22 LEU 14 21.148 -3.775 -2.265
108 HD23 LEU 14 HD23 LEU 14 20.204 -4.387 -0.907
109 H LYS 15 HN LYS 15 21.565 0.453 2.336
110 HA LYS 15 HA LYS 15 24.274 1.511 1.953
111 HB2 LYS 15 HB2 LYS 15 22.200 2.890 2.073
112 HB3 LYS 15 HB1 LYS 15 21.976 2.373 3.744
113 HG2 LYS 15 HG2 LYS 15 24.447 3.257 4.033
114 HG3 LYS 15 HG1 LYS 15 24.059 4.199 2.593
115 HD2 LYS 15 HD2 LYS 15 23.458 5.575 4.456
116 HD3 LYS 15 HD1 LYS 15 21.943 4.945 3.808
117 HE2 LYS 15 HE2 LYS 15 21.862 3.220 5.537
118 HE3 LYS 15 HE1 LYS 15 23.450 3.725 6.149
119 HZ1 LYS 15 HZ1 LYS 15 21.711 4.797 7.419
120 HZ2 LYS 15 HZ2 LYS 15 21.008 5.414 6.001
121 HZ3 LYS 15 HZ3 LYS 15 22.538 5.957 6.499
122 H ASN 16 HN ASN 16 22.399 0.072 4.624
123 HA ASN 16 HA ASN 16 24.523 0.329 6.590
124 HB2 ASN 16 HB2 ASN 16 21.889 -0.044 6.718
125 HB3 ASN 16 HB1 ASN 16 22.363 -1.744 6.727
126 HD21 ASN 16 HD21 ASN 16 21.984 -2.219 8.948
127 HD22 ASN 16 HD22 ASN 16 22.799 -1.444 10.219
128 H LEU 17 HN LEU 17 24.202 -1.653 3.871
129 HA LEU 17 HA LEU 17 25.369 -4.096 4.979
130 HB2 LEU 17 HB2 LEU 17 23.958 -4.433 3.142
131 HB3 LEU 17 HB1 LEU 17 24.537 -2.994 2.308
132 HG LEU 17 HG LEU 17 26.665 -4.102 1.812
133 HD11 LEU 17 HD11 LEU 17 26.979 -6.489 2.384
134 HD12 LEU 17 HD12 LEU 17 25.446 -6.479 3.256
135 HD13 LEU 17 HD13 LEU 17 26.798 -5.507 3.837
136 HD21 LEU 17 HD21 LEU 17 25.759 -5.960 0.361
137 HD22 LEU 17 HD22 LEU 17 24.914 -4.424 0.175
138 HD23 LEU 17 HD23 LEU 17 24.192 -5.717 1.130
139 H ILE 18 HN ILE 18 26.533 -1.654 2.608
140 HA ILE 18 HA ILE 18 29.301 -2.072 3.672
141 HB ILE 18 HB ILE 18 30.038 -2.039 1.251
142 HG12 ILE 18 HG12 ILE 18 27.082 -2.475 0.743
143 HG13 ILE 18 HG11 ILE 18 27.923 -0.955 0.444
144 HG21 ILE 18 HG21 ILE 18 28.477 -4.380 1.006
145 HG22 ILE 18 HG22 ILE 18 28.746 -4.160 2.734
146 HG23 ILE 18 HG23 ILE 18 30.119 -4.255 1.633
147 HD11 ILE 18 HD11 ILE 18 28.066 -3.522 -1.050
148 HD12 ILE 18 HD12 ILE 18 29.576 -2.626 -0.875
149 HD13 ILE 18 HD13 ILE 18 28.183 -1.867 -1.645
150 H LYS 19 HN LYS 19 27.032 0.127 3.578
151 HA LYS 19 HA LYS 19 28.850 2.333 2.659
152 HB2 LYS 19 HB2 LYS 19 25.825 2.380 2.637
153 HB3 LYS 19 HB1 LYS 19 26.931 3.437 1.765
154 HG2 LYS 19 HG2 LYS 19 27.649 0.899 0.885
155 HG3 LYS 19 HG1 LYS 19 25.893 0.806 1.006
156 HD2 LYS 19 HD2 LYS 19 27.237 3.155 -0.326
157 HD3 LYS 19 HD1 LYS 19 26.907 1.669 -1.219
158 HE2 LYS 19 HE2 LYS 19 24.873 2.655 -1.614
159 HE3 LYS 19 HE1 LYS 19 24.493 2.104 0.030
160 HZ1 LYS 19 HZ1 LYS 19 25.255 4.153 0.930
161 HZ2 LYS 19 HZ2 LYS 19 24.181 4.541 -0.329
162 HZ3 LYS 19 HZ3 LYS 19 25.858 4.671 -0.567
163 HN1 NH2 20 HN1 NH2 20 27.096 4.416 3.692
164 HN2 NH2 20 HN2 NH2 20 27.125 4.332 5.388
Start of MODEL 7
1 H1 ASP 1 HT1 ASP 1 1.019 5.225 -1.396
2 H2 ASP 1 HT2 ASP 1 1.047 5.827 0.193
3 H3 ASP 1 HT3 ASP 1 -0.352 5.995 -0.759
4 HA ASP 1 HA ASP 1 -0.514 4.190 0.934
5 HB2 ASP 1 HB2 ASP 1 -0.942 4.167 -1.979
6 HB3 ASP 1 HB1 ASP 1 -0.956 2.558 -1.256
7 H ILE 2 HN ILE 2 1.393 3.108 -1.906
8 HA ILE 2 HA ILE 2 3.420 1.874 -0.157
9 HB ILE 2 HB ILE 2 1.521 0.291 -0.141
10 HG12 ILE 2 HG12 ILE 2 2.838 -1.617 -1.459
11 HG13 ILE 2 HG11 ILE 2 4.101 -0.388 -1.496
12 HG21 ILE 2 HG21 ILE 2 0.456 -0.468 -2.047
13 HG22 ILE 2 HG22 ILE 2 1.880 -0.241 -3.062
14 HG23 ILE 2 HG23 ILE 2 0.905 1.150 -2.587
15 HD11 ILE 2 HD11 ILE 2 2.702 -0.884 1.099
16 HD12 ILE 2 HD12 ILE 2 4.369 -0.391 0.800
17 HD13 ILE 2 HD13 ILE 2 3.888 -2.071 0.554
18 H PHE 3 HN PHE 3 4.334 3.690 -1.706
19 HA PHE 3 HA PHE 3 5.378 2.312 -4.150
20 HB2 PHE 3 HB2 PHE 3 4.439 5.194 -4.024
21 HB3 PHE 3 HB1 PHE 3 4.902 4.287 -5.463
22 HD1 PHE 3 HD1 PHE 3 3.572 1.910 -5.640
23 HD2 PHE 3 HD2 PHE 3 2.157 5.457 -3.675
24 HE1 PHE 3 HE1 PHE 3 1.238 1.107 -5.875
25 HE2 PHE 3 HE2 PHE 3 -0.178 4.656 -3.910
26 HZ PHE 3 HZ PHE 3 -0.639 2.481 -5.008
27 H GLY 4 HN GLY 4 5.704 5.117 -1.954
28 HA2 GLY 4 HA2 GLY 4 8.638 5.105 -2.524
29 HA3 GLY 4 HA1 GLY 4 7.745 6.512 -1.947
30 H ALA 5 HN ALA 5 6.697 3.672 -0.409
31 HA ALA 5 HA ALA 5 8.052 4.498 2.093
32 HB1 ALA 5 HB1 ALA 5 6.393 2.982 3.097
33 HB2 ALA 5 HB2 ALA 5 5.940 2.400 1.495
34 HB3 ALA 5 HB3 ALA 5 5.604 4.069 1.955
35 H ILE 6 HN ILE 6 7.581 1.493 0.194
36 HA ILE 6 HA ILE 6 9.491 -0.041 1.741
37 HB ILE 6 HB ILE 6 7.621 -1.019 0.480
38 HG12 ILE 6 HG12 ILE 6 9.936 -2.030 -1.087
39 HG13 ILE 6 HG11 ILE 6 10.111 -2.058 0.669
40 HG21 ILE 6 HG21 ILE 6 7.316 0.344 -1.405
41 HG22 ILE 6 HG22 ILE 6 8.022 -1.115 -2.099
42 HG23 ILE 6 HG23 ILE 6 9.027 0.307 -1.828
43 HD11 ILE 6 HD11 ILE 6 7.610 -3.046 0.467
44 HD12 ILE 6 HD12 ILE 6 9.042 -4.074 0.431
45 HD13 ILE 6 HD13 ILE 6 8.260 -3.599 -1.076
46 H TRP 7 HN TRP 7 9.760 2.175 -0.940
47 HA TRP 7 HA TRP 7 12.217 1.264 -2.092
48 HB2 TRP 7 HB2 TRP 7 10.512 3.685 -2.049
49 HB3 TRP 7 HB1 TRP 7 12.203 3.977 -2.455
50 HD1 TRP 7 HD1 TRP 7 10.055 0.907 -3.387
51 HE1 TRP 7 HE1 TRP 7 10.049 0.675 -5.952
52 HE3 TRP 7 HE3 TRP 7 12.673 5.103 -4.656
53 HZ2 TRP 7 HZ2 TRP 7 11.023 2.084 -8.243
54 HZ3 TRP 7 HZ3 TRP 7 13.119 5.634 -7.035
55 HH2 TRP 7 HH2 TRP 7 12.298 4.131 -8.829
56 HA PRO 8 HA PRO 8 14.361 4.573 0.795
57 HB2 PRO 8 HB2 PRO 8 12.784 4.885 3.137
58 HB3 PRO 8 HB1 PRO 8 13.099 6.112 1.897
59 HG2 PRO 8 HG2 PRO 8 10.724 4.454 2.336
60 HG3 PRO 8 HG1 PRO 8 10.886 5.996 1.488
61 HD2 PRO 8 HD2 PRO 8 10.465 3.609 0.242
62 HD3 PRO 8 HD1 PRO 8 11.267 4.995 -0.522
63 H LEU 9 HN LEU 9 12.257 2.077 2.200
64 HA LEU 9 HA LEU 9 14.030 1.350 4.349
65 HB2 LEU 9 HB2 LEU 9 11.640 0.840 4.288
66 HB3 LEU 9 HB1 LEU 9 11.867 -0.158 2.851
67 HG LEU 9 HG LEU 9 13.683 -0.950 4.986
68 HD11 LEU 9 HD11 LEU 9 11.768 -2.006 6.345
69 HD12 LEU 9 HD12 LEU 9 10.715 -0.832 5.555
70 HD13 LEU 9 HD13 LEU 9 12.045 -0.279 6.574
71 HD21 LEU 9 HD21 LEU 9 12.706 -2.134 2.819
72 HD22 LEU 9 HD22 LEU 9 11.437 -2.638 3.936
73 HD23 LEU 9 HD23 LEU 9 13.116 -3.080 4.250
74 H ALA 10 HN ALA 10 13.403 -0.281 1.202
75 HA ALA 10 HA ALA 10 15.406 -2.273 1.421
76 HB1 ALA 10 HB1 ALA 10 13.654 -2.261 -0.279
77 HB2 ALA 10 HB2 ALA 10 15.224 -2.279 -1.081
78 HB3 ALA 10 HB3 ALA 10 14.304 -0.778 -0.977
79 H LEU 11 HN LEU 11 15.612 1.071 0.272
80 HA LEU 11 HA LEU 11 18.325 0.946 -0.686
81 HB2 LEU 11 HB2 LEU 11 16.562 3.195 0.336
82 HB3 LEU 11 HB1 LEU 11 18.104 3.451 -0.481
83 HG LEU 11 HG LEU 11 15.893 1.808 -1.722
84 HD11 LEU 11 HD11 LEU 11 14.897 3.966 -1.392
85 HD12 LEU 11 HD12 LEU 11 15.445 3.922 -3.068
86 HD13 LEU 11 HD13 LEU 11 16.385 4.792 -1.855
87 HD21 LEU 11 HD21 LEU 11 17.144 2.514 -3.804
88 HD22 LEU 11 HD22 LEU 11 18.072 1.482 -2.717
89 HD23 LEU 11 HD23 LEU 11 18.371 3.220 -2.752
90 H GLY 12 HN GLY 12 16.884 1.843 2.452
91 HA2 GLY 12 HA2 GLY 12 19.366 2.618 3.688
92 HA3 GLY 12 HA1 GLY 12 17.895 2.165 4.552
93 H ALA 13 HN ALA 13 17.859 -0.464 3.056
94 HA ALA 13 HA ALA 13 19.431 -1.987 4.987
95 HB1 ALA 13 HB1 ALA 13 18.553 -3.745 3.067
96 HB2 ALA 13 HB2 ALA 13 17.425 -2.406 2.857
97 HB3 ALA 13 HB3 ALA 13 17.572 -3.196 4.427
98 H LEU 14 HN LEU 14 19.623 -1.308 1.497
99 HA LEU 14 HA LEU 14 22.008 -2.920 1.071
100 HB2 LEU 14 HB2 LEU 14 20.724 -0.678 -0.529
101 HB3 LEU 14 HB1 LEU 14 21.926 -1.810 -1.147
102 HG LEU 14 HG LEU 14 19.202 -2.587 -0.055
103 HD11 LEU 14 HD11 LEU 14 20.268 -2.098 -2.823
104 HD12 LEU 14 HD12 LEU 14 18.720 -1.621 -2.128
105 HD13 LEU 14 HD13 LEU 14 19.005 -3.303 -2.574
106 HD21 LEU 14 HD21 LEU 14 20.409 -4.523 0.259
107 HD22 LEU 14 HD22 LEU 14 21.624 -4.083 -0.940
108 HD23 LEU 14 HD23 LEU 14 20.065 -4.720 -1.459
109 H LYS 15 HN LYS 15 21.413 0.231 2.356
110 HA LYS 15 HA LYS 15 24.024 1.361 1.623
111 HB2 LYS 15 HB2 LYS 15 21.624 2.417 2.150
112 HB3 LYS 15 HB1 LYS 15 22.267 2.445 3.792
113 HG2 LYS 15 HG2 LYS 15 24.087 3.427 1.659
114 HG3 LYS 15 HG1 LYS 15 22.689 4.442 2.019
115 HD2 LYS 15 HD2 LYS 15 24.480 3.360 4.198
116 HD3 LYS 15 HD1 LYS 15 24.808 4.895 3.393
117 HE2 LYS 15 HE2 LYS 15 22.165 5.215 3.980
118 HE3 LYS 15 HE1 LYS 15 22.691 4.221 5.353
119 HZ1 LYS 15 HZ1 LYS 15 24.205 6.581 4.383
120 HZ2 LYS 15 HZ2 LYS 15 24.446 5.715 5.825
121 HZ3 LYS 15 HZ3 LYS 15 23.057 6.673 5.628
122 H ASN 16 HN ASN 16 22.453 0.327 4.678
123 HA ASN 16 HA ASN 16 24.784 0.649 6.324
124 HB2 ASN 16 HB2 ASN 16 22.147 -0.770 6.444
125 HB3 ASN 16 HB1 ASN 16 23.355 -1.144 7.674
126 HD21 ASN 16 HD21 ASN 16 24.036 0.614 9.119
127 HD22 ASN 16 HD22 ASN 16 23.110 2.028 9.269
128 H LEU 17 HN LEU 17 24.011 -1.685 3.928
129 HA LEU 17 HA LEU 17 25.397 -3.973 5.036
130 HB2 LEU 17 HB2 LEU 17 23.758 -4.346 3.364
131 HB3 LEU 17 HB1 LEU 17 24.401 -3.073 2.330
132 HG LEU 17 HG LEU 17 26.403 -4.413 1.881
133 HD11 LEU 17 HD11 LEU 17 25.160 -6.173 3.967
134 HD12 LEU 17 HD12 LEU 17 26.850 -5.714 3.757
135 HD13 LEU 17 HD13 LEU 17 26.124 -6.919 2.693
136 HD21 LEU 17 HD21 LEU 17 24.749 -4.850 0.274
137 HD22 LEU 17 HD22 LEU 17 23.692 -5.648 1.440
138 HD23 LEU 17 HD23 LEU 17 25.142 -6.468 0.860
139 H ILE 18 HN ILE 18 26.305 -1.780 2.335
140 HA ILE 18 HA ILE 18 29.167 -2.053 3.178
141 HB ILE 18 HB ILE 18 29.681 -2.296 0.719
142 HG12 ILE 18 HG12 ILE 18 26.692 -2.756 0.520
143 HG13 ILE 18 HG11 ILE 18 27.506 -1.285 -0.012
144 HG21 ILE 18 HG21 ILE 18 29.798 -4.464 1.306
145 HG22 ILE 18 HG22 ILE 18 28.099 -4.638 0.867
146 HG23 ILE 18 HG23 ILE 18 28.544 -4.240 2.526
147 HD11 ILE 18 HD11 ILE 18 28.971 -2.765 -1.474
148 HD12 ILE 18 HD12 ILE 18 27.278 -2.666 -1.958
149 HD13 ILE 18 HD13 ILE 18 27.866 -4.087 -1.095
150 H LYS 19 HN LYS 19 27.051 0.130 3.325
151 HA LYS 19 HA LYS 19 28.625 2.224 1.869
152 HB2 LYS 19 HB2 LYS 19 25.629 2.331 2.179
153 HB3 LYS 19 HB1 LYS 19 26.640 3.129 0.976
154 HG2 LYS 19 HG2 LYS 19 27.226 0.670 0.244
155 HG3 LYS 19 HG1 LYS 19 25.724 0.267 1.078
156 HD2 LYS 19 HD2 LYS 19 24.416 1.357 -0.460
157 HD3 LYS 19 HD1 LYS 19 25.633 2.593 -0.777
158 HE2 LYS 19 HE2 LYS 19 26.336 1.464 -2.608
159 HE3 LYS 19 HE1 LYS 19 26.634 0.014 -1.629
160 HZ1 LYS 19 HZ1 LYS 19 24.865 -0.240 -3.368
161 HZ2 LYS 19 HZ2 LYS 19 23.925 0.869 -2.487
162 HZ3 LYS 19 HZ3 LYS 19 24.371 -0.614 -1.788
163 HN1 NH2 20 HN1 NH2 20 29.072 1.700 4.611
164 HN2 NH2 20 HN2 NH2 20 28.387 2.938 5.551
Start of MODEL 8
1 H1 ASP 1 HT1 ASP 1 -0.433 4.345 -3.643
2 H2 ASP 1 HT2 ASP 1 1.009 3.454 -3.775
3 H3 ASP 1 HT3 ASP 1 0.850 4.647 -2.576
4 HA ASP 1 HA ASP 1 -0.971 3.319 -1.558
5 HB2 ASP 1 HB2 ASP 1 -0.060 1.536 -3.831
6 HB3 ASP 1 HB1 ASP 1 -1.004 0.926 -2.471
7 H ILE 2 HN ILE 2 1.750 1.382 -2.839
8 HA ILE 2 HA ILE 2 3.170 1.615 -0.241
9 HB ILE 2 HB ILE 2 1.527 -0.220 -0.013
10 HG12 ILE 2 HG12 ILE 2 4.088 -1.703 -0.366
11 HG13 ILE 2 HG11 ILE 2 4.124 -0.300 0.704
12 HG21 ILE 2 HG21 ILE 2 1.309 -1.956 -1.532
13 HG22 ILE 2 HG22 ILE 2 2.972 -1.807 -2.101
14 HG23 ILE 2 HG23 ILE 2 1.753 -0.645 -2.626
15 HD11 ILE 2 HD11 ILE 2 2.448 -2.796 0.944
16 HD12 ILE 2 HD12 ILE 2 1.993 -1.307 1.772
17 HD13 ILE 2 HD13 ILE 2 3.534 -2.082 2.137
18 H PHE 3 HN PHE 3 4.354 2.773 -2.238
19 HA PHE 3 HA PHE 3 6.344 0.797 -3.298
20 HB2 PHE 3 HB2 PHE 3 5.232 3.170 -4.822
21 HB3 PHE 3 HB1 PHE 3 6.193 1.837 -5.462
22 HD1 PHE 3 HD1 PHE 3 5.085 -0.587 -4.681
23 HD2 PHE 3 HD2 PHE 3 2.988 3.088 -5.425
24 HE1 PHE 3 HE1 PHE 3 3.007 -1.864 -5.130
25 HE2 PHE 3 HE2 PHE 3 0.911 1.811 -5.875
26 HZ PHE 3 HZ PHE 3 0.919 -0.664 -5.727
27 H GLY 4 HN GLY 4 5.621 4.242 -2.682
28 HA2 GLY 4 HA2 GLY 4 8.428 5.015 -2.792
29 HA3 GLY 4 HA1 GLY 4 7.093 6.042 -2.270
30 H ALA 5 HN ALA 5 6.362 3.656 -0.389
31 HA ALA 5 HA ALA 5 7.934 4.670 1.894
32 HB1 ALA 5 HB1 ALA 5 6.240 3.605 3.177
33 HB2 ALA 5 HB2 ALA 5 5.848 2.484 1.871
34 HB3 ALA 5 HB3 ALA 5 5.398 4.184 1.738
35 H ILE 6 HN ILE 6 7.441 1.604 0.145
36 HA ILE 6 HA ILE 6 9.289 0.119 1.861
37 HB ILE 6 HB ILE 6 7.284 -0.821 0.701
38 HG12 ILE 6 HG12 ILE 6 8.862 -2.657 -0.580
39 HG13 ILE 6 HG11 ILE 6 10.032 -1.896 0.498
40 HG21 ILE 6 HG21 ILE 6 7.004 -0.747 -1.562
41 HG22 ILE 6 HG22 ILE 6 8.722 -0.981 -1.884
42 HG23 ILE 6 HG23 ILE 6 8.115 0.618 -1.454
43 HD11 ILE 6 HD11 ILE 6 8.985 -2.654 2.399
44 HD12 ILE 6 HD12 ILE 6 8.478 -3.933 1.296
45 HD13 ILE 6 HD13 ILE 6 7.382 -2.600 1.664
46 H TRP 7 HN TRP 7 9.656 2.267 -0.788
47 HA TRP 7 HA TRP 7 11.978 1.049 -2.029
48 HB2 TRP 7 HB2 TRP 7 10.342 3.483 -2.205
49 HB3 TRP 7 HB1 TRP 7 12.042 3.767 -2.573
50 HD1 TRP 7 HD1 TRP 7 10.289 0.452 -3.349
51 HE1 TRP 7 HE1 TRP 7 10.241 0.120 -5.904
52 HE3 TRP 7 HE3 TRP 7 12.105 4.981 -4.861
53 HZ2 TRP 7 HZ2 TRP 7 10.887 1.582 -8.276
54 HZ3 TRP 7 HZ3 TRP 7 12.376 5.484 -7.272
55 HH2 TRP 7 HH2 TRP 7 11.769 3.791 -8.980
56 HA PRO 8 HA PRO 8 14.349 4.428 0.583
57 HB2 PRO 8 HB2 PRO 8 12.490 4.734 2.868
58 HB3 PRO 8 HB1 PRO 8 13.398 5.976 1.986
59 HG2 PRO 8 HG2 PRO 8 10.733 5.646 1.737
60 HG3 PRO 8 HG1 PRO 8 11.761 6.264 0.437
61 HD2 PRO 8 HD2 PRO 8 10.468 3.622 0.713
62 HD3 PRO 8 HD1 PRO 8 10.938 4.515 -0.745
63 H LEU 9 HN LEU 9 12.260 1.945 1.942
64 HA LEU 9 HA LEU 9 13.929 1.261 4.199
65 HB2 LEU 9 HB2 LEU 9 11.548 0.691 4.010
66 HB3 LEU 9 HB1 LEU 9 11.882 -0.301 2.590
67 HG LEU 9 HG LEU 9 13.626 -1.087 4.754
68 HD11 LEU 9 HD11 LEU 9 12.136 -0.521 6.438
69 HD12 LEU 9 HD12 LEU 9 11.527 -2.121 6.020
70 HD13 LEU 9 HD13 LEU 9 10.727 -0.682 5.391
71 HD21 LEU 9 HD21 LEU 9 11.518 -2.326 3.002
72 HD22 LEU 9 HD22 LEU 9 12.172 -3.246 4.358
73 HD23 LEU 9 HD23 LEU 9 13.245 -2.676 3.080
74 H ALA 10 HN ALA 10 13.504 -0.294 0.990
75 HA ALA 10 HA ALA 10 15.546 -2.260 1.301
76 HB1 ALA 10 HB1 ALA 10 14.290 -2.724 -0.548
77 HB2 ALA 10 HB2 ALA 10 15.461 -1.709 -1.389
78 HB3 ALA 10 HB3 ALA 10 13.931 -1.022 -0.840
79 H LEU 11 HN LEU 11 15.672 1.124 0.321
80 HA LEU 11 HA LEU 11 18.407 1.063 -0.654
81 HB2 LEU 11 HB2 LEU 11 16.544 3.258 0.306
82 HB3 LEU 11 HB1 LEU 11 18.103 3.564 -0.460
83 HG LEU 11 HG LEU 11 15.885 1.938 -1.731
84 HD11 LEU 11 HD11 LEU 11 15.653 3.976 -3.209
85 HD12 LEU 11 HD12 LEU 11 16.675 4.844 -2.064
86 HD13 LEU 11 HD13 LEU 11 15.110 4.217 -1.548
87 HD21 LEU 11 HD21 LEU 11 17.782 1.276 -2.868
88 HD22 LEU 11 HD22 LEU 11 18.655 2.760 -2.484
89 HD23 LEU 11 HD23 LEU 11 17.437 2.758 -3.760
90 H GLY 12 HN GLY 12 16.866 1.860 2.454
91 HA2 GLY 12 HA2 GLY 12 19.326 2.716 3.724
92 HA3 GLY 12 HA1 GLY 12 17.827 2.303 4.559
93 H ALA 13 HN ALA 13 17.857 -0.369 3.084
94 HA ALA 13 HA ALA 13 19.351 -1.839 5.130
95 HB1 ALA 13 HB1 ALA 13 18.483 -3.760 3.582
96 HB2 ALA 13 HB2 ALA 13 17.610 -2.474 2.750
97 HB3 ALA 13 HB3 ALA 13 17.298 -2.791 4.457
98 H LEU 14 HN LEU 14 19.624 -1.260 1.631
99 HA LEU 14 HA LEU 14 22.011 -2.900 1.311
100 HB2 LEU 14 HB2 LEU 14 20.723 -0.736 -0.387
101 HB3 LEU 14 HB1 LEU 14 21.976 -1.843 -0.946
102 HG LEU 14 HG LEU 14 19.278 -2.708 0.137
103 HD11 LEU 14 HD11 LEU 14 19.253 -3.465 -2.446
104 HD12 LEU 14 HD12 LEU 14 20.258 -2.022 -2.590
105 HD13 LEU 14 HD13 LEU 14 18.633 -1.901 -1.916
106 HD21 LEU 14 HD21 LEU 14 20.078 -4.865 -1.076
107 HD22 LEU 14 HD22 LEU 14 20.788 -4.487 0.493
108 HD23 LEU 14 HD23 LEU 14 21.683 -4.142 -0.987
109 H LYS 15 HN LYS 15 21.398 0.303 2.470
110 HA LYS 15 HA LYS 15 23.985 1.441 1.710
111 HB2 LYS 15 HB2 LYS 15 21.749 2.621 2.167
112 HB3 LYS 15 HB1 LYS 15 22.079 2.352 3.879
113 HG2 LYS 15 HG2 LYS 15 24.239 3.547 3.636
114 HG3 LYS 15 HG1 LYS 15 23.861 3.857 1.941
115 HD2 LYS 15 HD2 LYS 15 23.199 5.832 3.089
116 HD3 LYS 15 HD1 LYS 15 21.700 4.952 2.788
117 HE2 LYS 15 HE2 LYS 15 21.682 4.087 5.065
118 HE3 LYS 15 HE1 LYS 15 23.275 4.802 5.384
119 HZ1 LYS 15 HZ1 LYS 15 21.544 6.283 6.160
120 HZ2 LYS 15 HZ2 LYS 15 20.809 6.280 4.629
121 HZ3 LYS 15 HZ3 LYS 15 22.342 6.983 4.837
122 H ASN 16 HN ASN 16 22.543 0.390 4.825
123 HA ASN 16 HA ASN 16 24.958 0.673 6.358
124 HB2 ASN 16 HB2 ASN 16 22.615 0.548 7.221
125 HB3 ASN 16 HB1 ASN 16 22.566 -1.154 6.764
126 HD21 ASN 16 HD21 ASN 16 24.085 1.162 8.999
127 HD22 ASN 16 HD22 ASN 16 24.677 -0.008 10.077
128 H LEU 17 HN LEU 17 24.050 -1.622 3.981
129 HA LEU 17 HA LEU 17 25.446 -3.940 5.025
130 HB2 LEU 17 HB2 LEU 17 23.724 -4.330 3.462
131 HB3 LEU 17 HB1 LEU 17 24.263 -3.028 2.407
132 HG LEU 17 HG LEU 17 26.242 -4.326 1.774
133 HD11 LEU 17 HD11 LEU 17 26.338 -6.746 2.532
134 HD12 LEU 17 HD12 LEU 17 25.098 -6.347 3.721
135 HD13 LEU 17 HD13 LEU 17 26.677 -5.564 3.796
136 HD21 LEU 17 HD21 LEU 17 23.670 -5.927 1.587
137 HD22 LEU 17 HD22 LEU 17 25.087 -6.152 0.561
138 HD23 LEU 17 HD23 LEU 17 24.171 -4.647 0.481
139 H ILE 18 HN ILE 18 26.230 -1.736 2.289
140 HA ILE 18 HA ILE 18 29.131 -2.077 2.955
141 HB ILE 18 HB ILE 18 29.503 -2.300 0.475
142 HG12 ILE 18 HG12 ILE 18 26.500 -2.692 0.412
143 HG13 ILE 18 HG11 ILE 18 27.312 -1.216 -0.112
144 HG21 ILE 18 HG21 ILE 18 28.407 -4.245 2.307
145 HG22 ILE 18 HG22 ILE 18 29.589 -4.480 1.022
146 HG23 ILE 18 HG23 ILE 18 27.867 -4.600 0.666
147 HD11 ILE 18 HD11 ILE 18 27.344 -3.941 -1.366
148 HD12 ILE 18 HD12 ILE 18 28.741 -2.886 -1.575
149 HD13 ILE 18 HD13 ILE 18 27.151 -2.364 -2.130
150 H LYS 19 HN LYS 19 27.040 0.148 3.217
151 HA LYS 19 HA LYS 19 28.594 2.224 1.709
152 HB2 LYS 19 HB2 LYS 19 25.622 2.385 2.206
153 HB3 LYS 19 HB1 LYS 19 26.576 3.213 0.979
154 HG2 LYS 19 HG2 LYS 19 27.081 0.737 0.170
155 HG3 LYS 19 HG1 LYS 19 25.571 0.390 1.013
156 HD2 LYS 19 HD2 LYS 19 24.665 0.967 -1.014
157 HD3 LYS 19 HD1 LYS 19 24.816 2.594 -0.350
158 HE2 LYS 19 HE2 LYS 19 27.122 2.714 -1.411
159 HE3 LYS 19 HE1 LYS 19 26.724 1.202 -2.253
160 HZ1 LYS 19 HZ1 LYS 19 25.100 3.691 -2.312
161 HZ2 LYS 19 HZ2 LYS 19 24.715 2.238 -3.104
162 HZ3 LYS 19 HZ3 LYS 19 26.081 3.132 -3.577
163 HN1 NH2 20 HN1 NH2 20 28.513 1.239 4.659
164 HN2 NH2 20 HN2 NH2 20 28.216 2.653 5.552
Start of MODEL 9
1 H1 ASP 1 HT1 ASP 1 2.947 7.580 2.311
2 H2 ASP 1 HT2 ASP 1 3.811 8.683 1.349
3 H3 ASP 1 HT3 ASP 1 4.460 7.148 1.679
4 HA ASP 1 HA ASP 1 1.910 7.508 0.200
5 HB2 ASP 1 HB2 ASP 1 3.403 7.189 -1.818
6 HB3 ASP 1 HB1 ASP 1 3.649 8.720 -0.978
7 H ILE 2 HN ILE 2 2.326 5.490 -1.584
8 HA ILE 2 HA ILE 2 2.708 3.081 0.164
9 HB ILE 2 HB ILE 2 0.978 3.565 -2.284
10 HG12 ILE 2 HG12 ILE 2 0.187 4.761 -0.281
11 HG13 ILE 2 HG11 ILE 2 -0.892 3.422 -0.665
12 HG21 ILE 2 HG21 ILE 2 -0.048 1.355 -1.544
13 HG22 ILE 2 HG22 ILE 2 1.349 1.156 -0.488
14 HG23 ILE 2 HG23 ILE 2 1.571 1.241 -2.235
15 HD11 ILE 2 HD11 ILE 2 0.754 3.853 1.713
16 HD12 ILE 2 HD12 ILE 2 1.008 2.259 1.002
17 HD13 ILE 2 HD13 ILE 2 -0.612 2.764 1.480
18 H PHE 3 HN PHE 3 3.774 4.719 -2.689
19 HA PHE 3 HA PHE 3 5.191 2.261 -3.652
20 HB2 PHE 3 HB2 PHE 3 5.413 3.708 -5.755
21 HB3 PHE 3 HB1 PHE 3 3.774 3.216 -5.332
22 HD1 PHE 3 HD1 PHE 3 2.104 4.817 -4.809
23 HD2 PHE 3 HD2 PHE 3 6.219 6.022 -5.076
24 HE1 PHE 3 HE1 PHE 3 1.416 7.195 -4.666
25 HE2 PHE 3 HE2 PHE 3 5.530 8.401 -4.934
26 HZ PHE 3 HZ PHE 3 3.130 8.987 -4.729
27 H GLY 4 HN GLY 4 5.672 5.277 -2.079
28 HA2 GLY 4 HA2 GLY 4 8.585 5.196 -2.749
29 HA3 GLY 4 HA1 GLY 4 7.727 6.666 -2.286
30 H ALA 5 HN ALA 5 6.518 4.195 -0.398
31 HA ALA 5 HA ALA 5 8.093 5.119 1.933
32 HB1 ALA 5 HB1 ALA 5 5.611 3.455 1.471
33 HB2 ALA 5 HB2 ALA 5 5.727 5.051 2.212
34 HB3 ALA 5 HB3 ALA 5 6.323 3.633 3.075
35 H ILE 6 HN ILE 6 7.328 2.068 0.240
36 HA ILE 6 HA ILE 6 9.064 0.468 1.961
37 HB ILE 6 HB ILE 6 7.011 -0.369 0.867
38 HG12 ILE 6 HG12 ILE 6 8.549 -2.192 -0.592
39 HG13 ILE 6 HG11 ILE 6 9.655 -1.593 0.643
40 HG21 ILE 6 HG21 ILE 6 6.613 0.346 -1.234
41 HG22 ILE 6 HG22 ILE 6 7.799 -0.841 -1.774
42 HG23 ILE 6 HG23 ILE 6 8.295 0.823 -1.464
43 HD11 ILE 6 HD11 ILE 6 8.609 -3.329 1.787
44 HD12 ILE 6 HD12 ILE 6 7.064 -3.067 0.978
45 HD13 ILE 6 HD13 ILE 6 7.594 -1.962 2.245
46 H TRP 7 HN TRP 7 9.556 2.475 -0.804
47 HA TRP 7 HA TRP 7 11.800 1.058 -1.970
48 HB2 TRP 7 HB2 TRP 7 10.312 3.563 -2.281
49 HB3 TRP 7 HB1 TRP 7 12.032 3.758 -2.610
50 HD1 TRP 7 HD1 TRP 7 10.025 0.559 -3.320
51 HE1 TRP 7 HE1 TRP 7 10.083 0.103 -5.856
52 HE3 TRP 7 HE3 TRP 7 12.395 4.790 -4.925
53 HZ2 TRP 7 HZ2 TRP 7 11.009 1.365 -8.250
54 HZ3 TRP 7 HZ3 TRP 7 12.850 5.136 -7.337
55 HH2 TRP 7 HH2 TRP 7 12.161 3.431 -8.999
56 HA PRO 8 HA PRO 8 14.379 4.427 0.486
57 HB2 PRO 8 HB2 PRO 8 12.522 4.858 2.761
58 HB3 PRO 8 HB1 PRO 8 13.518 6.036 1.885
59 HG2 PRO 8 HG2 PRO 8 10.849 5.878 1.585
60 HG3 PRO 8 HG1 PRO 8 11.937 6.387 0.286
61 HD2 PRO 8 HD2 PRO 8 10.461 3.849 0.613
62 HD3 PRO 8 HD1 PRO 8 11.014 4.664 -0.862
63 H LEU 9 HN LEU 9 12.203 2.065 1.916
64 HA LEU 9 HA LEU 9 13.814 1.376 4.203
65 HB2 LEU 9 HB2 LEU 9 11.423 0.865 3.950
66 HB3 LEU 9 HB1 LEU 9 11.780 -0.183 2.577
67 HG LEU 9 HG LEU 9 13.477 -1.107 4.599
68 HD11 LEU 9 HD11 LEU 9 10.710 -0.529 5.704
69 HD12 LEU 9 HD12 LEU 9 12.213 0.214 6.248
70 HD13 LEU 9 HD13 LEU 9 11.942 -1.511 6.498
71 HD21 LEU 9 HD21 LEU 9 12.325 -3.113 4.286
72 HD22 LEU 9 HD22 LEU 9 11.891 -2.240 2.816
73 HD23 LEU 9 HD23 LEU 9 10.758 -2.312 4.166
74 H ALA 10 HN ALA 10 13.348 -0.414 1.117
75 HA ALA 10 HA ALA 10 15.383 -2.340 1.502
76 HB1 ALA 10 HB1 ALA 10 14.847 -2.903 -0.662
77 HB2 ALA 10 HB2 ALA 10 14.953 -1.236 -1.225
78 HB3 ALA 10 HB3 ALA 10 13.512 -1.788 -0.373
79 H LEU 11 HN LEU 11 15.572 0.947 0.194
80 HA LEU 11 HA LEU 11 18.304 0.833 -0.690
81 HB2 LEU 11 HB2 LEU 11 16.512 3.098 0.249
82 HB3 LEU 11 HB1 LEU 11 18.055 3.335 -0.574
83 HG LEU 11 HG LEU 11 15.880 1.623 -1.775
84 HD11 LEU 11 HD11 LEU 11 15.193 3.603 -3.082
85 HD12 LEU 11 HD12 LEU 11 16.316 4.601 -2.159
86 HD13 LEU 11 HD13 LEU 11 14.929 3.861 -1.357
87 HD21 LEU 11 HD21 LEU 11 18.253 1.515 -2.615
88 HD22 LEU 11 HD22 LEU 11 18.132 3.225 -3.024
89 HD23 LEU 11 HD23 LEU 11 17.094 2.050 -3.832
90 H GLY 12 HN GLY 12 16.799 1.805 2.392
91 HA2 GLY 12 HA2 GLY 12 19.261 2.620 3.651
92 HA3 GLY 12 HA1 GLY 12 17.766 2.216 4.497
93 H ALA 13 HN ALA 13 17.758 -0.471 3.081
94 HA ALA 13 HA ALA 13 19.234 -1.936 5.126
95 HB1 ALA 13 HB1 ALA 13 18.159 -3.822 4.133
96 HB2 ALA 13 HB2 ALA 13 18.003 -3.006 2.578
97 HB3 ALA 13 HB3 ALA 13 17.012 -2.496 3.943
98 H LEU 14 HN LEU 14 19.603 -1.354 1.634
99 HA LEU 14 HA LEU 14 22.001 -2.993 1.381
100 HB2 LEU 14 HB2 LEU 14 20.805 -0.824 -0.379
101 HB3 LEU 14 HB1 LEU 14 22.006 -2.011 -0.887
102 HG LEU 14 HG LEU 14 19.226 -2.676 0.135
103 HD11 LEU 14 HD11 LEU 14 20.402 -2.721 -2.662
104 HD12 LEU 14 HD12 LEU 14 19.151 -1.623 -2.077
105 HD13 LEU 14 HD13 LEU 14 18.813 -3.348 -2.222
106 HD21 LEU 14 HD21 LEU 14 19.929 -4.940 -0.920
107 HD22 LEU 14 HD22 LEU 14 20.620 -4.521 0.648
108 HD23 LEU 14 HD23 LEU 14 21.575 -4.317 -0.821
109 H LYS 15 HN LYS 15 21.355 0.199 2.523
110 HA LYS 15 HA LYS 15 23.915 1.391 1.792
111 HB2 LYS 15 HB2 LYS 15 21.813 2.651 2.201
112 HB3 LYS 15 HB1 LYS 15 21.835 2.122 3.884
113 HG2 LYS 15 HG2 LYS 15 24.323 3.152 3.723
114 HG3 LYS 15 HG1 LYS 15 23.519 4.157 2.517
115 HD2 LYS 15 HD2 LYS 15 22.811 5.420 4.254
116 HD3 LYS 15 HD1 LYS 15 21.695 4.101 4.609
117 HE2 LYS 15 HE2 LYS 15 22.765 4.116 6.647
118 HE3 LYS 15 HE1 LYS 15 23.986 3.162 5.781
119 HZ1 LYS 15 HZ1 LYS 15 25.099 5.019 6.731
120 HZ2 LYS 15 HZ2 LYS 15 23.930 6.108 6.150
121 HZ3 LYS 15 HZ3 LYS 15 24.977 5.321 5.066
122 H ASN 16 HN ASN 16 22.535 0.120 4.848
123 HA ASN 16 HA ASN 16 24.912 0.479 6.418
124 HB2 ASN 16 HB2 ASN 16 23.736 -1.100 7.943
125 HB3 ASN 16 HB1 ASN 16 22.651 0.150 7.333
126 HD21 ASN 16 HD21 ASN 16 23.620 -3.263 6.789
127 HD22 ASN 16 HD22 ASN 16 22.153 -3.727 6.073
128 H LEU 17 HN LEU 17 24.171 -1.748 3.913
129 HA LEU 17 HA LEU 17 25.720 -4.019 4.811
130 HB2 LEU 17 HB2 LEU 17 24.053 -4.361 3.157
131 HB3 LEU 17 HB1 LEU 17 24.603 -2.989 2.199
132 HG LEU 17 HG LEU 17 26.658 -4.187 1.612
133 HD11 LEU 17 HD11 LEU 17 26.501 -6.764 2.262
134 HD12 LEU 17 HD12 LEU 17 25.580 -6.125 3.624
135 HD13 LEU 17 HD13 LEU 17 27.242 -5.596 3.357
136 HD21 LEU 17 HD21 LEU 17 25.667 -5.479 -0.018
137 HD22 LEU 17 HD22 LEU 17 24.231 -4.628 0.551
138 HD23 LEU 17 HD23 LEU 17 24.572 -6.261 1.120
139 H ILE 18 HN ILE 18 26.426 -1.620 2.228
140 HA ILE 18 HA ILE 18 29.319 -1.767 2.992
141 HB ILE 18 HB ILE 18 29.784 -1.833 0.514
142 HG12 ILE 18 HG12 ILE 18 26.828 -2.469 0.338
143 HG13 ILE 18 HG11 ILE 18 27.525 -0.908 -0.090
144 HG21 ILE 18 HG21 ILE 18 30.038 -4.021 0.970
145 HG22 ILE 18 HG22 ILE 18 28.343 -4.267 0.550
146 HG23 ILE 18 HG23 ILE 18 28.801 -3.944 2.223
147 HD11 ILE 18 HD11 ILE 18 28.519 -1.716 -1.998
148 HD12 ILE 18 HD12 ILE 18 27.179 -2.860 -1.905
149 HD13 ILE 18 HD13 ILE 18 28.775 -3.320 -1.311
150 H LYS 19 HN LYS 19 27.019 0.263 3.246
151 HA LYS 19 HA LYS 19 28.453 2.534 1.912
152 HB2 LYS 19 HB2 LYS 19 25.467 2.428 2.319
153 HB3 LYS 19 HB1 LYS 19 26.382 3.390 1.163
154 HG2 LYS 19 HG2 LYS 19 27.110 0.959 0.302
155 HG3 LYS 19 HG1 LYS 19 25.554 0.524 1.011
156 HD2 LYS 19 HD2 LYS 19 25.043 1.102 -1.233
157 HD3 LYS 19 HD1 LYS 19 24.600 2.531 -0.298
158 HE2 LYS 19 HE2 LYS 19 27.240 3.055 -0.828
159 HE3 LYS 19 HE1 LYS 19 26.744 2.204 -2.304
160 HZ1 LYS 19 HZ1 LYS 19 24.913 3.657 -2.583
161 HZ2 LYS 19 HZ2 LYS 19 26.259 4.650 -2.288
162 HZ3 LYS 19 HZ3 LYS 19 25.131 4.356 -1.053
163 HN1 NH2 20 HN1 NH2 20 28.378 1.403 4.807
164 HN2 NH2 20 HN2 NH2 20 27.932 2.737 5.757
Start of MODEL 10
1 H1 ASP 1 HT1 ASP 1 2.346 5.480 -2.622
2 H2 ASP 1 HT2 ASP 1 2.819 5.932 -1.054
3 H3 ASP 1 HT3 ASP 1 1.618 6.815 -1.870
4 HA ASP 1 HA ASP 1 0.484 5.452 -0.306
5 HB2 ASP 1 HB2 ASP 1 -0.441 5.714 -2.579
6 HB3 ASP 1 HB1 ASP 1 0.468 4.302 -3.118
7 H ILE 2 HN ILE 2 1.912 3.089 -2.587
8 HA ILE 2 HA ILE 2 2.851 1.487 -0.236
9 HB ILE 2 HB ILE 2 1.310 0.545 -2.679
10 HG12 ILE 2 HG12 ILE 2 0.523 0.593 0.254
11 HG13 ILE 2 HG11 ILE 2 -0.027 1.763 -0.946
12 HG21 ILE 2 HG21 ILE 2 2.506 -1.357 -2.209
13 HG22 ILE 2 HG22 ILE 2 1.276 -1.543 -0.959
14 HG23 ILE 2 HG23 ILE 2 2.848 -0.856 -0.553
15 HD11 ILE 2 HD11 ILE 2 -0.459 -1.230 -1.154
16 HD12 ILE 2 HD12 ILE 2 -1.102 0.002 -2.239
17 HD13 ILE 2 HD13 ILE 2 -1.669 -0.086 -0.571
18 H PHE 3 HN PHE 3 3.895 3.148 -2.794
19 HA PHE 3 HA PHE 3 6.016 1.139 -3.475
20 HB2 PHE 3 HB2 PHE 3 5.984 2.485 -5.720
21 HB3 PHE 3 HB1 PHE 3 4.710 1.305 -5.426
22 HD1 PHE 3 HD1 PHE 3 2.501 1.972 -5.725
23 HD2 PHE 3 HD2 PHE 3 5.467 4.925 -4.760
24 HE1 PHE 3 HE1 PHE 3 0.790 3.755 -5.929
25 HE2 PHE 3 HE2 PHE 3 3.758 6.708 -4.964
26 HZ PHE 3 HZ PHE 3 1.419 6.125 -5.549
27 H GLY 4 HN GLY 4 5.445 3.960 -1.869
28 HA2 GLY 4 HA2 GLY 4 8.083 5.134 -2.641
29 HA3 GLY 4 HA1 GLY 4 6.747 6.075 -1.977
30 H ALA 5 HN ALA 5 6.196 3.735 -0.074
31 HA ALA 5 HA ALA 5 8.023 4.673 2.052
32 HB1 ALA 5 HB1 ALA 5 6.415 2.970 3.292
33 HB2 ALA 5 HB2 ALA 5 5.479 3.102 1.803
34 HB3 ALA 5 HB3 ALA 5 5.809 4.541 2.768
35 H ILE 6 HN ILE 6 7.291 1.695 0.261
36 HA ILE 6 HA ILE 6 9.105 0.039 1.841
37 HB ILE 6 HB ILE 6 7.073 -0.803 0.717
38 HG12 ILE 6 HG12 ILE 6 9.273 -2.103 -0.829
39 HG13 ILE 6 HG11 ILE 6 9.415 -2.093 0.929
40 HG21 ILE 6 HG21 ILE 6 7.922 0.805 -1.393
41 HG22 ILE 6 HG22 ILE 6 6.592 -0.352 -1.446
42 HG23 ILE 6 HG23 ILE 6 8.201 -0.833 -1.982
43 HD11 ILE 6 HD11 ILE 6 8.233 -4.093 0.425
44 HD12 ILE 6 HD12 ILE 6 7.205 -3.279 -0.754
45 HD13 ILE 6 HD13 ILE 6 6.996 -2.958 0.967
46 H TRP 7 HN TRP 7 9.606 2.376 -0.578
47 HA TRP 7 HA TRP 7 11.858 1.046 -1.910
48 HB2 TRP 7 HB2 TRP 7 10.181 3.388 -2.210
49 HB3 TRP 7 HB1 TRP 7 11.878 3.837 -2.370
50 HD1 TRP 7 HD1 TRP 7 9.941 0.690 -3.536
51 HE1 TRP 7 HE1 TRP 7 10.456 0.316 -6.035
52 HE3 TRP 7 HE3 TRP 7 12.941 4.724 -4.429
53 HZ2 TRP 7 HZ2 TRP 7 11.946 1.564 -8.134
54 HZ3 TRP 7 HZ3 TRP 7 13.894 5.106 -6.686
55 HH2 TRP 7 HH2 TRP 7 13.401 3.533 -8.537
56 HA PRO 8 HA PRO 8 14.261 4.446 0.653
57 HB2 PRO 8 HB2 PRO 8 12.388 4.763 2.933
58 HB3 PRO 8 HB1 PRO 8 13.324 5.997 2.067
59 HG2 PRO 8 HG2 PRO 8 10.667 5.727 1.772
60 HG3 PRO 8 HG1 PRO 8 11.725 6.282 0.467
61 HD2 PRO 8 HD2 PRO 8 10.383 3.666 0.819
62 HD3 PRO 8 HD1 PRO 8 10.841 4.520 -0.668
63 H LEU 9 HN LEU 9 12.188 1.957 2.003
64 HA LEU 9 HA LEU 9 13.824 1.285 4.286
65 HB2 LEU 9 HB2 LEU 9 11.436 0.728 4.026
66 HB3 LEU 9 HB1 LEU 9 11.823 -0.308 2.652
67 HG LEU 9 HG LEU 9 13.538 -1.254 4.595
68 HD11 LEU 9 HD11 LEU 9 12.197 0.281 6.181
69 HD12 LEU 9 HD12 LEU 9 12.400 -1.402 6.669
70 HD13 LEU 9 HD13 LEU 9 10.874 -0.867 5.965
71 HD21 LEU 9 HD21 LEU 9 12.405 -2.840 3.312
72 HD22 LEU 9 HD22 LEU 9 10.835 -2.079 3.576
73 HD23 LEU 9 HD23 LEU 9 11.588 -3.015 4.867
74 H ALA 10 HN ALA 10 13.305 -0.621 1.285
75 HA ALA 10 HA ALA 10 15.475 -2.399 1.619
76 HB1 ALA 10 HB1 ALA 10 14.390 -1.261 -0.975
77 HB2 ALA 10 HB2 ALA 10 13.570 -2.504 -0.029
78 HB3 ALA 10 HB3 ALA 10 15.144 -2.839 -0.749
79 H LEU 11 HN LEU 11 15.400 0.876 0.304
80 HA LEU 11 HA LEU 11 18.058 0.859 -0.827
81 HB2 LEU 11 HB2 LEU 11 16.203 3.044 0.170
82 HB3 LEU 11 HB1 LEU 11 17.684 3.356 -0.737
83 HG LEU 11 HG LEU 11 15.524 1.514 -1.773
84 HD11 LEU 11 HD11 LEU 11 14.653 3.844 -1.341
85 HD12 LEU 11 HD12 LEU 11 14.620 3.365 -3.038
86 HD13 LEU 11 HD13 LEU 11 15.884 4.447 -2.451
87 HD21 LEU 11 HD21 LEU 11 17.415 1.138 -3.064
88 HD22 LEU 11 HD22 LEU 11 18.041 2.768 -2.808
89 HD23 LEU 11 HD23 LEU 11 16.717 2.499 -3.942
90 H GLY 12 HN GLY 12 16.739 1.763 2.352
91 HA2 GLY 12 HA2 GLY 12 19.251 2.770 3.380
92 HA3 GLY 12 HA1 GLY 12 17.848 2.325 4.354
93 H ALA 13 HN ALA 13 17.867 -0.400 3.001
94 HA ALA 13 HA ALA 13 19.561 -1.736 4.965
95 HB1 ALA 13 HB1 ALA 13 17.271 -2.326 3.656
96 HB2 ALA 13 HB2 ALA 13 18.324 -3.574 4.324
97 HB3 ALA 13 HB3 ALA 13 18.418 -3.164 2.611
98 H LEU 14 HN LEU 14 19.618 -1.283 1.431
99 HA LEU 14 HA LEU 14 22.023 -2.806 0.962
100 HB2 LEU 14 HB2 LEU 14 20.688 -0.544 -0.566
101 HB3 LEU 14 HB1 LEU 14 21.913 -1.627 -1.230
102 HG LEU 14 HG LEU 14 19.253 -2.542 -0.094
103 HD11 LEU 14 HD11 LEU 14 20.168 -2.224 -2.970
104 HD12 LEU 14 HD12 LEU 14 18.942 -1.247 -2.163
105 HD13 LEU 14 HD13 LEU 14 18.649 -2.961 -2.459
106 HD21 LEU 14 HD21 LEU 14 21.670 -3.885 -1.236
107 HD22 LEU 14 HD22 LEU 14 20.091 -4.569 -1.622
108 HD23 LEU 14 HD23 LEU 14 20.598 -4.419 0.060
109 H LYS 15 HN LYS 15 21.426 0.405 2.185
110 HA LYS 15 HA LYS 15 24.144 1.371 1.548
111 HB2 LYS 15 HB2 LYS 15 21.560 2.412 2.427
112 HB3 LYS 15 HB1 LYS 15 22.888 3.098 3.362
113 HG2 LYS 15 HG2 LYS 15 22.914 4.556 1.574
114 HG3 LYS 15 HG1 LYS 15 23.988 3.312 0.936
115 HD2 LYS 15 HD2 LYS 15 20.996 3.416 0.449
116 HD3 LYS 15 HD1 LYS 15 22.217 3.974 -0.695
117 HE2 LYS 15 HE2 LYS 15 23.170 1.477 -0.169
118 HE3 LYS 15 HE1 LYS 15 21.426 1.203 0.004
119 HZ1 LYS 15 HZ1 LYS 15 22.005 0.995 -2.304
120 HZ2 LYS 15 HZ2 LYS 15 22.801 2.496 -2.292
121 HZ3 LYS 15 HZ3 LYS 15 21.115 2.424 -2.103
122 H ASN 16 HN ASN 16 22.349 0.025 4.256
123 HA ASN 16 HA ASN 16 24.446 0.605 6.229
124 HB2 ASN 16 HB2 ASN 16 21.982 0.468 6.693
125 HB3 ASN 16 HB1 ASN 16 22.049 -1.256 6.327
126 HD21 ASN 16 HD21 ASN 16 24.275 0.873 8.211
127 HD22 ASN 16 HD22 ASN 16 24.231 -0.080 9.616
128 H LEU 17 HN LEU 17 24.299 -1.524 3.688
129 HA LEU 17 HA LEU 17 25.452 -3.865 5.079
130 HB2 LEU 17 HB2 LEU 17 23.953 -4.484 3.402
131 HB3 LEU 17 HB1 LEU 17 24.403 -3.136 2.362
132 HG LEU 17 HG LEU 17 26.533 -4.218 1.829
133 HD11 LEU 17 HD11 LEU 17 26.751 -5.371 4.066
134 HD12 LEU 17 HD12 LEU 17 27.109 -6.410 2.687
135 HD13 LEU 17 HD13 LEU 17 25.556 -6.544 3.513
136 HD21 LEU 17 HD21 LEU 17 25.009 -4.916 0.239
137 HD22 LEU 17 HD22 LEU 17 23.943 -5.656 1.433
138 HD23 LEU 17 HD23 LEU 17 25.422 -6.480 0.940
139 H ILE 18 HN ILE 18 26.417 -1.748 2.335
140 HA ILE 18 HA ILE 18 29.257 -2.007 3.257
141 HB ILE 18 HB ILE 18 29.835 -2.253 0.811
142 HG12 ILE 18 HG12 ILE 18 26.849 -2.712 0.557
143 HG13 ILE 18 HG11 ILE 18 27.691 -1.268 -0.003
144 HG21 ILE 18 HG21 ILE 18 29.957 -4.412 1.433
145 HG22 ILE 18 HG22 ILE 18 28.277 -4.608 0.936
146 HG23 ILE 18 HG23 ILE 18 28.660 -4.191 2.605
147 HD11 ILE 18 HD11 ILE 18 27.713 -4.030 -1.127
148 HD12 ILE 18 HD12 ILE 18 29.221 -3.117 -1.207
149 HD13 ILE 18 HD13 ILE 18 27.760 -2.477 -1.961
150 H LYS 19 HN LYS 19 27.151 0.185 3.357
151 HA LYS 19 HA LYS 19 28.795 2.281 1.991
152 HB2 LYS 19 HB2 LYS 19 25.770 2.270 2.072
153 HB3 LYS 19 HB1 LYS 19 26.820 3.256 1.058
154 HG2 LYS 19 HG2 LYS 19 27.646 0.851 0.227
155 HG3 LYS 19 HG1 LYS 19 26.022 0.394 0.743
156 HD2 LYS 19 HD2 LYS 19 25.006 1.629 -0.900
157 HD3 LYS 19 HD1 LYS 19 26.247 2.882 -0.872
158 HE2 LYS 19 HE2 LYS 19 27.780 1.488 -2.137
159 HE3 LYS 19 HE1 LYS 19 26.673 0.103 -2.027
160 HZ1 LYS 19 HZ1 LYS 19 26.364 1.266 -4.123
161 HZ2 LYS 19 HZ2 LYS 19 26.067 2.722 -3.300
162 HZ3 LYS 19 HZ3 LYS 19 24.980 1.424 -3.155
163 HN1 NH2 20 HN1 NH2 20 28.039 4.560 2.918
164 HN2 NH2 20 HN2 NH2 20 27.714 4.612 4.583
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