Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616717 | 5kkm RC | 30124 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H GLN 1 HN GLN 1 0.205 -5.671 -4.805
2 HA GLN 1 HA GLN 1 2.536 -4.881 -3.298
3 HB2 GLN 1 HB2 GLN 1 1.967 -5.515 -6.171
4 HB3 GLN 1 HB1 GLN 1 3.467 -4.691 -5.745
5 HG2 GLN 1 HG2 GLN 1 4.015 -6.486 -4.153
6 HG3 GLN 1 HG1 GLN 1 2.508 -7.308 -4.554
7 HE21 GLN 1 HE21 GLN 1 3.340 -6.024 -7.442
8 HE22 GLN 1 HE22 GLN 1 4.301 -7.275 -8.068
9 H TRP 2 HN TRP 2 1.419 -2.879 -2.498
10 HA TRP 2 HA TRP 2 2.025 -0.643 -4.323
11 HB2 TRP 2 HB2 TRP 2 -0.403 -0.953 -4.353
12 HB3 TRP 2 HB1 TRP 2 -0.445 -0.905 -2.592
13 HD1 TRP 2 HD1 TRP 2 0.207 1.325 -5.635
14 HE1 TRP 2 HE1 TRP 2 -0.041 3.788 -4.916
15 HE3 TRP 2 HE3 TRP 2 -0.364 0.720 -0.596
16 HZ2 TRP 2 HZ2 TRP 2 -0.434 5.301 -2.521
17 HZ3 TRP 2 HZ3 TRP 2 -0.676 2.688 0.879
18 HH2 TRP 2 HH2 TRP 2 -0.711 4.975 -0.076
19 H CYS 3 HN CYS 3 3.288 0.850 -3.414
20 HA CYS 3 HA CYS 3 3.644 0.781 -0.475
21 HB2 CYS 3 HB2 CYS 3 5.560 1.764 -2.605
22 HB3 CYS 3 HB1 CYS 3 5.879 1.698 -0.873
23 H GLN 4 HN GLN 4 3.254 2.571 0.682
24 HA GLN 4 HA GLN 4 1.937 4.784 -0.532
25 HB2 GLN 4 HB2 GLN 4 1.839 5.698 1.762
26 HB3 GLN 4 HB1 GLN 4 1.347 4.023 1.718
27 HG2 GLN 4 HG2 GLN 4 4.156 4.855 2.396
28 HG3 GLN 4 HG1 GLN 4 2.906 4.668 3.613
29 HE21 GLN 4 HE21 GLN 4 5.214 2.996 3.638
30 HE22 GLN 4 HE22 GLN 4 4.737 1.415 3.254
31 HA PRO 5 HA PRO 5 5.241 7.590 -1.489
32 HB2 PRO 5 HB2 PRO 5 4.036 9.561 0.422
33 HB3 PRO 5 HB1 PRO 5 4.541 9.792 -1.265
34 HG2 PRO 5 HG2 PRO 5 1.989 9.575 -0.678
35 HG3 PRO 5 HG1 PRO 5 2.648 8.758 -2.108
36 HD2 PRO 5 HD2 PRO 5 1.871 7.588 0.539
37 HD3 PRO 5 HD1 PRO 5 1.686 6.915 -1.095
38 H GLY 6 HN GLY 6 7.289 7.924 -0.728
39 HA2 GLY 6 HA2 GLY 6 8.961 8.411 0.865
40 HA3 GLY 6 HA1 GLY 6 7.779 8.168 2.149
41 H TYR 7 HN TYR 7 7.155 5.653 0.275
42 HA TYR 7 HA TYR 7 9.197 3.912 1.529
43 HB2 TYR 7 HB2 TYR 7 6.251 3.453 1.067
44 HB3 TYR 7 HB1 TYR 7 7.371 2.144 1.421
45 HD1 TYR 7 HD1 TYR 7 6.298 5.501 2.702
46 HD2 TYR 7 HD2 TYR 7 7.877 1.623 3.642
47 HE1 TYR 7 HE1 TYR 7 6.179 6.034 5.123
48 HE2 TYR 7 HE2 TYR 7 7.774 2.153 6.054
49 HH TYR 7 HH TYR 7 6.966 5.379 7.189
50 H ALA 8 HN ALA 8 10.148 2.363 0.293
51 HA ALA 8 HA ALA 8 9.500 2.394 -2.594
52 HB1 ALA 8 HB1 ALA 8 11.919 1.495 -2.762
53 HB2 ALA 8 HB2 ALA 8 12.098 2.080 -1.107
54 HB3 ALA 8 HB3 ALA 8 11.697 3.207 -2.402
55 H TYR 9 HN TYR 9 8.941 0.527 -3.552
56 HA TYR 9 HA TYR 9 8.272 -1.745 -2.013
57 HB2 TYR 9 HB2 TYR 9 7.143 -1.234 -4.125
58 HB3 TYR 9 HB1 TYR 9 8.648 -1.501 -5.006
59 HD1 TYR 9 HD1 TYR 9 6.212 -3.168 -2.718
60 HD2 TYR 9 HD2 TYR 9 9.288 -3.685 -5.678
61 HE1 TYR 9 HE1 TYR 9 5.725 -5.597 -2.803
62 HE2 TYR 9 HE2 TYR 9 8.794 -6.112 -5.761
63 HH TYR 9 HH TYR 9 6.050 -7.474 -4.626
64 H ASN 10 HN ASN 10 9.382 -3.491 -1.433
65 HA ASN 10 HA ASN 10 12.103 -3.824 -2.510
66 HB2 ASN 10 HB2 ASN 10 11.002 -3.996 0.188
67 HB3 ASN 10 HB1 ASN 10 11.996 -5.380 -0.261
68 HD21 ASN 10 HD21 ASN 10 14.209 -5.105 -0.119
69 HD22 ASN 10 HD22 ASN 10 14.989 -3.608 -0.006
70 HA PRO 11 HA PRO 11 10.035 -7.538 -4.092
71 HB2 PRO 11 HB2 PRO 11 12.031 -8.375 -5.769
72 HB3 PRO 11 HB1 PRO 11 10.860 -7.115 -6.191
73 HG2 PRO 11 HG2 PRO 11 13.689 -6.867 -5.372
74 HG3 PRO 11 HG1 PRO 11 12.725 -5.856 -6.462
75 HD2 PRO 11 HD2 PRO 11 13.365 -5.220 -3.828
76 HD3 PRO 11 HD1 PRO 11 12.056 -4.473 -4.763
77 H VAL 12 HN VAL 12 13.307 -7.370 -2.824
78 HA VAL 12 HA VAL 12 13.718 -10.141 -2.402
79 HB VAL 12 HB VAL 12 14.878 -7.700 -1.048
80 HG11 VAL 12 HG11 VAL 12 15.381 -9.242 0.578
81 HG12 VAL 12 HG12 VAL 12 16.674 -9.646 -0.551
82 HG13 VAL 12 HG13 VAL 12 15.198 -10.611 -0.519
83 HG21 VAL 12 HG21 VAL 12 16.051 -9.658 -3.048
84 HG22 VAL 12 HG22 VAL 12 16.814 -8.187 -2.446
85 HG23 VAL 12 HG23 VAL 12 15.386 -8.081 -3.475
86 H LEU 13 HN LEU 13 12.461 -7.557 -0.304
87 HA LEU 13 HA LEU 13 11.914 -9.418 1.856
88 HB2 LEU 13 HB2 LEU 13 11.108 -6.513 1.542
89 HB3 LEU 13 HB1 LEU 13 11.009 -7.465 3.020
90 HG LEU 13 HG LEU 13 13.566 -6.831 1.513
91 HD11 LEU 13 HD11 LEU 13 12.085 -5.497 3.699
92 HD12 LEU 13 HD12 LEU 13 13.276 -4.838 2.576
93 HD13 LEU 13 HD13 LEU 13 13.807 -5.733 4.000
94 HD21 LEU 13 HD21 LEU 13 14.432 -7.678 3.878
95 HD22 LEU 13 HD22 LEU 13 14.061 -8.831 2.597
96 HD23 LEU 13 HD23 LEU 13 12.895 -8.542 3.887
97 H GLY 14 HN GLY 14 10.217 -7.984 -0.825
98 HA2 GLY 14 HA2 GLY 14 8.196 -8.673 -1.757
99 HA3 GLY 14 HA1 GLY 14 7.943 -9.724 -0.367
100 H ILE 15 HN ILE 15 8.781 -6.727 0.791
101 HA ILE 15 HA ILE 15 5.998 -5.750 0.839
102 HB ILE 15 HB ILE 15 6.390 -5.123 3.265
103 HG12 ILE 15 HG12 ILE 15 8.080 -6.600 4.434
104 HG13 ILE 15 HG11 ILE 15 8.716 -7.034 2.852
105 HG21 ILE 15 HG21 ILE 15 6.045 -7.554 4.018
106 HG22 ILE 15 HG22 ILE 15 6.226 -7.985 2.317
107 HG23 ILE 15 HG23 ILE 15 4.911 -6.924 2.824
108 HD11 ILE 15 HD11 ILE 15 8.448 -4.121 3.490
109 HD12 ILE 15 HD12 ILE 15 9.651 -4.949 2.504
110 HD13 ILE 15 HD13 ILE 15 9.752 -5.021 4.260
111 H CYS 16 HN CYS 16 5.955 -3.467 1.855
112 HA CYS 16 HA CYS 16 7.890 -1.864 0.376
113 HB2 CYS 16 HB2 CYS 16 5.485 -1.036 2.025
114 HB3 CYS 16 HB1 CYS 16 6.438 0.027 0.992
115 H THR 17 HN THR 17 9.455 -0.591 1.277
116 HA THR 17 HA THR 17 9.616 -0.499 4.231
117 HB THR 17 HB THR 17 12.060 -0.719 4.052
118 HG1 THR 17 HG1 THR 17 11.439 -1.038 1.308
119 HG21 THR 17 HG21 THR 17 10.999 -3.028 2.475
120 HG22 THR 17 HG22 THR 17 10.308 -2.714 4.068
121 HG23 THR 17 HG23 THR 17 12.036 -3.026 3.902
122 H ILE 18 HN ILE 18 10.671 1.330 5.108
123 HA ILE 18 HA ILE 18 10.108 3.741 3.684
124 HB ILE 18 HB ILE 18 10.091 3.250 6.258
125 HG12 ILE 18 HG12 ILE 18 11.301 5.844 5.247
126 HG13 ILE 18 HG11 ILE 18 9.587 5.451 5.125
127 HG21 ILE 18 HG21 ILE 18 12.100 3.620 7.425
128 HG22 ILE 18 HG22 ILE 18 12.874 4.381 6.034
129 HG23 ILE 18 HG23 ILE 18 12.610 2.637 6.052
130 HD11 ILE 18 HD11 ILE 18 10.536 4.971 7.815
131 HD12 ILE 18 HD12 ILE 18 9.232 6.024 7.267
132 HD13 ILE 18 HD13 ILE 18 10.889 6.627 7.321
133 H THR 19 HN THR 19 11.559 5.340 2.989
134 HA THR 19 HA THR 19 14.405 4.713 2.912
135 HB THR 19 HB THR 19 13.465 3.605 0.901
136 HG1 THR 19 HG1 THR 19 14.926 4.537 -0.490
137 HG21 THR 19 HG21 THR 19 12.345 4.845 -0.801
138 HG22 THR 19 HG22 THR 19 12.727 6.384 -0.028
139 HG23 THR 19 HG23 THR 19 11.559 5.290 0.714
140 H LEU 20 HN LEU 20 15.699 6.519 2.531
141 HA LEU 20 HA LEU 20 14.275 9.114 2.503
142 HB2 LEU 20 HB2 LEU 20 16.221 8.011 4.356
143 HB3 LEU 20 HB1 LEU 20 16.786 9.529 3.661
144 HG LEU 20 HG LEU 20 15.458 9.859 5.749
145 HD11 LEU 20 HD11 LEU 20 13.565 11.102 3.980
146 HD12 LEU 20 HD12 LEU 20 15.167 11.174 3.248
147 HD13 LEU 20 HD13 LEU 20 14.900 11.845 4.858
148 HD21 LEU 20 HD21 LEU 20 12.898 9.300 4.398
149 HD22 LEU 20 HD22 LEU 20 13.397 8.950 6.052
150 HD23 LEU 20 HD23 LEU 20 13.859 7.862 4.743
151 H SER 21 HN SER 21 16.520 7.094 0.972
152 HA SER 21 HA SER 21 17.981 7.383 -0.778
153 HB2 SER 21 HB2 SER 21 16.206 9.781 -1.283
154 HB3 SER 21 HB1 SER 21 17.329 9.077 -2.444
155 HG SER 21 HG SER 21 14.842 8.370 -1.972
156 H ARG 22 HN ARG 22 18.868 8.413 1.698
157 HA ARG 22 HA ARG 22 20.954 10.155 0.787
158 HB2 ARG 22 HB2 ARG 22 19.142 11.811 1.067
159 HB3 ARG 22 HB1 ARG 22 18.940 11.294 2.741
160 HG2 ARG 22 HG2 ARG 22 21.208 11.990 3.282
161 HG3 ARG 22 HG1 ARG 22 21.527 12.378 1.591
162 HD2 ARG 22 HD2 ARG 22 21.012 14.429 2.805
163 HD3 ARG 22 HD1 ARG 22 19.712 14.078 1.671
164 HE ARG 22 HE ARG 22 19.147 12.941 4.223
165 HH11 ARG 22 HH11 ARG 22 17.573 13.970 5.498
166 HH12 ARG 22 HH12 ARG 22 17.119 15.605 5.152
167 HH21 ARG 22 HH21 ARG 22 19.289 15.919 2.466
168 HH22 ARG 22 HH22 ARG 22 18.090 16.708 3.435
Start of MODEL 2
1 H GLN 1 HN GLN 1 0.547 -4.440 -6.716
2 HA GLN 1 HA GLN 1 1.132 -4.870 -4.109
3 HB2 GLN 1 HB2 GLN 1 3.602 -4.387 -3.933
4 HB3 GLN 1 HB1 GLN 1 3.205 -5.965 -4.611
5 HG2 GLN 1 HG2 GLN 1 3.487 -3.702 -6.531
6 HG3 GLN 1 HG1 GLN 1 4.963 -4.310 -5.783
7 HE21 GLN 1 HE21 GLN 1 5.815 -5.462 -7.594
8 HE22 GLN 1 HE22 GLN 1 5.018 -6.779 -8.307
9 H TRP 2 HN TRP 2 1.320 -2.974 -2.917
10 HA TRP 2 HA TRP 2 1.721 -0.469 -4.411
11 HB2 TRP 2 HB2 TRP 2 -0.708 -0.855 -4.331
12 HB3 TRP 2 HB1 TRP 2 -0.626 -1.022 -2.577
13 HD1 TRP 2 HD1 TRP 2 -0.336 1.562 -5.368
14 HE1 TRP 2 HE1 TRP 2 -0.480 3.921 -4.339
15 HE3 TRP 2 HE3 TRP 2 -0.219 0.367 -0.404
16 HZ2 TRP 2 HZ2 TRP 2 -0.538 5.140 -1.750
17 HZ3 TRP 2 HZ3 TRP 2 -0.319 2.145 1.318
18 HH2 TRP 2 HH2 TRP 2 -0.476 4.526 0.654
19 H CYS 3 HN CYS 3 2.908 0.990 -3.331
20 HA CYS 3 HA CYS 3 3.409 0.516 -0.451
21 HB2 CYS 3 HB2 CYS 3 5.296 1.634 -2.538
22 HB3 CYS 3 HB1 CYS 3 5.647 1.495 -0.817
23 H GLN 4 HN GLN 4 3.642 2.325 0.877
24 HA GLN 4 HA GLN 4 2.021 4.580 0.185
25 HB2 GLN 4 HB2 GLN 4 3.436 5.254 2.489
26 HB3 GLN 4 HB1 GLN 4 1.843 4.508 2.436
27 HG2 GLN 4 HG2 GLN 4 4.429 2.935 2.381
28 HG3 GLN 4 HG1 GLN 4 3.546 3.297 3.860
29 HE21 GLN 4 HE21 GLN 4 3.937 0.885 1.609
30 HE22 GLN 4 HE22 GLN 4 2.426 0.126 1.750
31 HA PRO 5 HA PRO 5 5.072 7.326 -1.379
32 HB2 PRO 5 HB2 PRO 5 4.543 9.680 -0.036
33 HB3 PRO 5 HB1 PRO 5 3.581 9.076 -1.398
34 HG2 PRO 5 HG2 PRO 5 3.037 8.917 1.523
35 HG3 PRO 5 HG1 PRO 5 1.919 9.203 0.177
36 HD2 PRO 5 HD2 PRO 5 2.122 6.784 1.403
37 HD3 PRO 5 HD1 PRO 5 1.722 6.937 -0.319
38 H GLY 6 HN GLY 6 7.196 7.788 -0.953
39 HA2 GLY 6 HA2 GLY 6 9.070 8.401 0.336
40 HA3 GLY 6 HA1 GLY 6 8.086 8.268 1.792
41 H TYR 7 HN TYR 7 7.226 5.616 0.238
42 HA TYR 7 HA TYR 7 9.373 3.958 1.416
43 HB2 TYR 7 HB2 TYR 7 6.407 3.492 1.134
44 HB3 TYR 7 HB1 TYR 7 7.529 2.171 1.430
45 HD1 TYR 7 HD1 TYR 7 6.685 5.593 2.725
46 HD2 TYR 7 HD2 TYR 7 8.068 1.634 3.638
47 HE1 TYR 7 HE1 TYR 7 6.726 6.160 5.139
48 HE2 TYR 7 HE2 TYR 7 8.121 2.199 6.045
49 HH TYR 7 HH TYR 7 6.543 4.552 7.408
50 H ALA 8 HN ALA 8 10.227 2.281 0.225
51 HA ALA 8 HA ALA 8 9.504 2.248 -2.645
52 HB1 ALA 8 HB1 ALA 8 11.706 2.938 -2.675
53 HB2 ALA 8 HB2 ALA 8 11.929 1.190 -2.726
54 HB3 ALA 8 HB3 ALA 8 12.114 2.058 -1.203
55 H TYR 9 HN TYR 9 8.899 0.373 -3.553
56 HA TYR 9 HA TYR 9 8.196 -1.847 -1.952
57 HB2 TYR 9 HB2 TYR 9 7.051 -1.353 -4.062
58 HB3 TYR 9 HB1 TYR 9 8.537 -1.685 -4.954
59 HD1 TYR 9 HD1 TYR 9 6.044 -3.214 -2.639
60 HD2 TYR 9 HD2 TYR 9 9.150 -3.911 -5.532
61 HE1 TYR 9 HE1 TYR 9 5.489 -5.631 -2.657
62 HE2 TYR 9 HE2 TYR 9 8.588 -6.325 -5.547
63 HH TYR 9 HH TYR 9 6.885 -7.820 -4.990
64 H ASN 10 HN ASN 10 9.276 -3.620 -1.361
65 HA ASN 10 HA ASN 10 11.971 -4.027 -2.481
66 HB2 ASN 10 HB2 ASN 10 10.930 -4.105 0.242
67 HB3 ASN 10 HB1 ASN 10 11.873 -5.530 -0.191
68 HD21 ASN 10 HD21 ASN 10 14.089 -5.317 -0.074
69 HD22 ASN 10 HD22 ASN 10 14.919 -3.842 -0.026
70 HA PRO 11 HA PRO 11 9.802 -7.736 -3.935
71 HB2 PRO 11 HB2 PRO 11 11.752 -8.661 -5.616
72 HB3 PRO 11 HB1 PRO 11 10.608 -7.380 -6.054
73 HG2 PRO 11 HG2 PRO 11 13.452 -7.189 -5.272
74 HG3 PRO 11 HG1 PRO 11 12.504 -6.181 -6.378
75 HD2 PRO 11 HD2 PRO 11 13.189 -5.489 -3.770
76 HD3 PRO 11 HD1 PRO 11 11.885 -4.738 -4.712
77 H VAL 12 HN VAL 12 13.104 -7.630 -2.728
78 HA VAL 12 HA VAL 12 13.442 -10.401 -2.250
79 HB VAL 12 HB VAL 12 14.695 -7.967 -0.969
80 HG11 VAL 12 HG11 VAL 12 15.033 -10.903 -0.458
81 HG12 VAL 12 HG12 VAL 12 15.075 -9.560 0.684
82 HG13 VAL 12 HG13 VAL 12 16.451 -9.857 -0.378
83 HG21 VAL 12 HG21 VAL 12 15.175 -8.372 -3.377
84 HG22 VAL 12 HG22 VAL 12 15.730 -9.998 -2.975
85 HG23 VAL 12 HG23 VAL 12 16.610 -8.593 -2.375
86 H LEU 13 HN LEU 13 12.305 -7.739 -0.180
87 HA LEU 13 HA LEU 13 11.754 -9.520 2.036
88 HB2 LEU 13 HB2 LEU 13 10.979 -6.621 1.624
89 HB3 LEU 13 HB1 LEU 13 10.870 -7.513 3.137
90 HG LEU 13 HG LEU 13 13.431 -6.976 1.598
91 HD11 LEU 13 HD11 LEU 13 12.059 -5.636 3.899
92 HD12 LEU 13 HD12 LEU 13 12.963 -4.921 2.564
93 HD13 LEU 13 HD13 LEU 13 13.822 -5.706 3.889
94 HD21 LEU 13 HD21 LEU 13 12.743 -8.593 4.029
95 HD22 LEU 13 HD22 LEU 13 14.286 -7.739 4.000
96 HD23 LEU 13 HD23 LEU 13 13.914 -8.933 2.755
97 H GLY 14 HN GLY 14 10.041 -8.177 -0.675
98 HA2 GLY 14 HA2 GLY 14 8.000 -8.876 -1.555
99 HA3 GLY 14 HA1 GLY 14 7.748 -9.863 -0.118
100 H ILE 15 HN ILE 15 8.651 -6.841 0.907
101 HA ILE 15 HA ILE 15 5.894 -5.797 0.926
102 HB ILE 15 HB ILE 15 6.289 -5.111 3.335
103 HG12 ILE 15 HG12 ILE 15 7.933 -6.593 4.558
104 HG13 ILE 15 HG11 ILE 15 8.567 -7.094 2.993
105 HG21 ILE 15 HG21 ILE 15 5.848 -7.483 4.166
106 HG22 ILE 15 HG22 ILE 15 6.080 -8.007 2.497
107 HG23 ILE 15 HG23 ILE 15 4.771 -6.895 2.900
108 HD11 ILE 15 HD11 ILE 15 8.369 -4.156 3.544
109 HD12 ILE 15 HD12 ILE 15 9.551 -5.043 2.582
110 HD13 ILE 15 HD13 ILE 15 9.650 -5.069 4.339
111 H CYS 16 HN CYS 16 5.916 -3.485 1.890
112 HA CYS 16 HA CYS 16 7.890 -1.975 0.358
113 HB2 CYS 16 HB2 CYS 16 5.551 -0.986 2.014
114 HB3 CYS 16 HB1 CYS 16 6.475 -0.053 0.837
115 H THR 17 HN THR 17 9.512 -0.757 1.221
116 HA THR 17 HA THR 17 9.671 -0.567 4.172
117 HB THR 17 HB THR 17 12.099 -0.902 4.012
118 HG1 THR 17 HG1 THR 17 11.474 -0.753 1.338
119 HG21 THR 17 HG21 THR 17 11.960 -3.198 3.963
120 HG22 THR 17 HG22 THR 17 11.001 -3.212 2.482
121 HG23 THR 17 HG23 THR 17 10.238 -2.820 4.024
122 H ILE 18 HN ILE 18 10.845 1.228 4.989
123 HA ILE 18 HA ILE 18 10.387 3.626 3.502
124 HB ILE 18 HB ILE 18 10.335 3.248 6.074
125 HG12 ILE 18 HG12 ILE 18 11.807 5.675 4.999
126 HG13 ILE 18 HG11 ILE 18 10.063 5.451 4.876
127 HG21 ILE 18 HG21 ILE 18 12.360 3.449 7.254
128 HG22 ILE 18 HG22 ILE 18 13.221 4.090 5.854
129 HG23 ILE 18 HG23 ILE 18 12.785 2.382 5.916
130 HD11 ILE 18 HD11 ILE 18 10.926 4.955 7.585
131 HD12 ILE 18 HD12 ILE 18 9.768 6.145 6.991
132 HD13 ILE 18 HD13 ILE 18 11.485 6.540 7.055
133 H THR 19 HN THR 19 11.912 5.117 2.724
134 HA THR 19 HA THR 19 14.721 4.374 2.677
135 HB THR 19 HB THR 19 13.740 3.174 0.732
136 HG1 THR 19 HG1 THR 19 15.797 4.753 0.797
137 HG21 THR 19 HG21 THR 19 12.664 4.337 -1.039
138 HG22 THR 19 HG22 THR 19 13.141 5.909 -0.398
139 HG23 THR 19 HG23 THR 19 11.918 4.951 0.436
140 H LEU 20 HN LEU 20 16.051 6.124 2.357
141 HA LEU 20 HA LEU 20 14.745 8.726 1.862
142 HB2 LEU 20 HB2 LEU 20 16.812 8.077 3.968
143 HB3 LEU 20 HB1 LEU 20 16.239 9.700 3.590
144 HG LEU 20 HG LEU 20 14.480 7.404 4.511
145 HD11 LEU 20 HD11 LEU 20 15.961 8.132 6.311
146 HD12 LEU 20 HD12 LEU 20 14.329 8.718 6.626
147 HD13 LEU 20 HD13 LEU 20 15.554 9.819 5.998
148 HD21 LEU 20 HD21 LEU 20 13.092 9.694 4.993
149 HD22 LEU 20 HD22 LEU 20 12.921 8.754 3.512
150 HD23 LEU 20 HD23 LEU 20 13.973 10.168 3.542
151 H SER 21 HN SER 21 15.921 10.216 0.704
152 HA SER 21 HA SER 21 17.809 9.252 -1.145
153 HB2 SER 21 HB2 SER 21 16.421 11.220 -1.588
154 HB3 SER 21 HB1 SER 21 17.239 12.101 -0.299
155 HG SER 21 HG SER 21 18.720 10.901 -2.368
156 H ARG 22 HN ARG 22 18.228 11.158 1.826
157 HA ARG 22 HA ARG 22 20.156 11.814 2.930
158 HB2 ARG 22 HB2 ARG 22 20.634 8.895 2.320
159 HB3 ARG 22 HB1 ARG 22 21.669 9.837 3.394
160 HG2 ARG 22 HG2 ARG 22 19.737 10.368 4.817
161 HG3 ARG 22 HG1 ARG 22 18.679 9.463 3.734
162 HD2 ARG 22 HD2 ARG 22 19.952 7.408 4.195
163 HD3 ARG 22 HD1 ARG 22 21.028 8.306 5.260
164 HE ARG 22 HE ARG 22 18.382 8.688 6.144
165 HH11 ARG 22 HH11 ARG 22 17.633 7.482 7.919
166 HH12 ARG 22 HH12 ARG 22 18.433 6.011 8.357
167 HH21 ARG 22 HH21 ARG 22 20.783 6.219 5.818
168 HH22 ARG 22 HH22 ARG 22 20.217 5.295 7.168
Start of MODEL 3
1 H GLN 1 HN GLN 1 4.478 -4.476 -5.554
2 HA GLN 1 HA GLN 1 2.025 -4.756 -5.048
3 HB2 GLN 1 HB2 GLN 1 3.021 -4.729 -2.194
4 HB3 GLN 1 HB1 GLN 1 1.369 -4.991 -2.755
5 HG2 GLN 1 HG2 GLN 1 3.741 -6.809 -3.280
6 HG3 GLN 1 HG1 GLN 1 2.410 -7.134 -2.170
7 HE21 GLN 1 HE21 GLN 1 0.125 -6.699 -3.476
8 HE22 GLN 1 HE22 GLN 1 0.046 -7.529 -4.954
9 H TRP 2 HN TRP 2 0.728 -3.025 -3.829
10 HA TRP 2 HA TRP 2 1.753 -0.477 -4.542
11 HB2 TRP 2 HB2 TRP 2 -0.654 -0.978 -4.519
12 HB3 TRP 2 HB1 TRP 2 -0.598 -1.179 -2.767
13 HD1 TRP 2 HD1 TRP 2 -0.376 1.477 -5.497
14 HE1 TRP 2 HE1 TRP 2 -0.659 3.802 -4.419
15 HE3 TRP 2 HE3 TRP 2 -0.304 0.176 -0.559
16 HZ2 TRP 2 HZ2 TRP 2 -0.832 4.957 -1.807
17 HZ3 TRP 2 HZ3 TRP 2 -0.528 1.908 1.200
18 HH2 TRP 2 HH2 TRP 2 -0.789 4.293 0.584
19 H CYS 3 HN CYS 3 2.849 1.010 -3.412
20 HA CYS 3 HA CYS 3 3.324 0.498 -0.532
21 HB2 CYS 3 HB2 CYS 3 5.185 1.753 -2.565
22 HB3 CYS 3 HB1 CYS 3 5.513 1.610 -0.839
23 H GLN 4 HN GLN 4 3.440 2.297 0.835
24 HA GLN 4 HA GLN 4 1.712 4.472 0.151
25 HB2 GLN 4 HB2 GLN 4 3.045 5.180 2.494
26 HB3 GLN 4 HB1 GLN 4 1.496 4.347 2.396
27 HG2 GLN 4 HG2 GLN 4 4.168 2.923 2.363
28 HG3 GLN 4 HG1 GLN 4 3.237 3.205 3.832
29 HE21 GLN 4 HE21 GLN 4 3.813 0.859 1.556
30 HE22 GLN 4 HE22 GLN 4 2.344 0.013 1.647
31 HA PRO 5 HA PRO 5 4.620 7.407 -1.328
32 HB2 PRO 5 HB2 PRO 5 3.956 9.702 0.062
33 HB3 PRO 5 HB1 PRO 5 3.045 9.080 -1.326
34 HG2 PRO 5 HG2 PRO 5 2.470 8.827 1.582
35 HG3 PRO 5 HG1 PRO 5 1.357 9.083 0.227
36 HD2 PRO 5 HD2 PRO 5 1.668 6.653 1.405
37 HD3 PRO 5 HD1 PRO 5 1.291 6.820 -0.322
38 H GLY 6 HN GLY 6 6.712 7.950 -0.881
39 HA2 GLY 6 HA2 GLY 6 8.546 8.641 0.430
40 HA3 GLY 6 HA1 GLY 6 7.561 8.436 1.877
41 H TYR 7 HN TYR 7 6.848 5.763 0.283
42 HA TYR 7 HA TYR 7 9.071 4.204 1.456
43 HB2 TYR 7 HB2 TYR 7 6.142 3.569 1.109
44 HB3 TYR 7 HB1 TYR 7 7.339 2.320 1.428
45 HD1 TYR 7 HD1 TYR 7 6.256 5.677 2.717
46 HD2 TYR 7 HD2 TYR 7 7.845 1.798 3.647
47 HE1 TYR 7 HE1 TYR 7 6.189 6.225 5.136
48 HE2 TYR 7 HE2 TYR 7 7.791 2.346 6.057
49 HH TYR 7 HH TYR 7 6.152 4.242 7.470
50 H ALA 8 HN ALA 8 10.074 2.654 0.240
51 HA ALA 8 HA ALA 8 9.371 2.597 -2.635
52 HB1 ALA 8 HB1 ALA 8 11.989 2.402 -1.175
53 HB2 ALA 8 HB2 ALA 8 11.546 3.449 -2.524
54 HB3 ALA 8 HB3 ALA 8 11.816 1.728 -2.794
55 H TYR 9 HN TYR 9 8.855 0.708 -3.563
56 HA TYR 9 HA TYR 9 8.263 -1.567 -1.997
57 HB2 TYR 9 HB2 TYR 9 7.104 -1.106 -4.107
58 HB3 TYR 9 HB1 TYR 9 8.610 -1.342 -4.996
59 HD1 TYR 9 HD1 TYR 9 6.225 -3.051 -2.685
60 HD2 TYR 9 HD2 TYR 9 9.314 -3.515 -5.642
61 HE1 TYR 9 HE1 TYR 9 5.800 -5.492 -2.748
62 HE2 TYR 9 HE2 TYR 9 8.882 -5.955 -5.701
63 HH TYR 9 HH TYR 9 7.743 -7.642 -4.825
64 H ASN 10 HN ASN 10 9.439 -3.281 -1.414
65 HA ASN 10 HA ASN 10 12.152 -3.533 -2.534
66 HB2 ASN 10 HB2 ASN 10 11.121 -3.679 0.191
67 HB3 ASN 10 HB1 ASN 10 12.145 -5.045 -0.250
68 HD21 ASN 10 HD21 ASN 10 14.348 -4.706 -0.151
69 HD22 ASN 10 HD22 ASN 10 15.089 -3.186 -0.096
70 HA PRO 11 HA PRO 11 10.191 -7.355 -3.994
71 HB2 PRO 11 HB2 PRO 11 12.180 -8.155 -5.695
72 HB3 PRO 11 HB1 PRO 11 10.959 -6.942 -6.117
73 HG2 PRO 11 HG2 PRO 11 13.793 -6.585 -5.356
74 HG3 PRO 11 HG1 PRO 11 12.778 -5.631 -6.450
75 HD2 PRO 11 HD2 PRO 11 13.440 -4.913 -3.843
76 HD3 PRO 11 HD1 PRO 11 12.088 -4.234 -4.770
77 H VAL 12 HN VAL 12 13.483 -7.045 -2.800
78 HA VAL 12 HA VAL 12 14.003 -9.791 -2.335
79 HB VAL 12 HB VAL 12 15.094 -7.285 -1.045
80 HG11 VAL 12 HG11 VAL 12 15.638 -10.195 -0.558
81 HG12 VAL 12 HG12 VAL 12 15.571 -8.864 0.599
82 HG13 VAL 12 HG13 VAL 12 16.972 -9.046 -0.456
83 HG21 VAL 12 HG21 VAL 12 17.077 -7.858 -2.438
84 HG22 VAL 12 HG22 VAL 12 15.641 -7.572 -3.421
85 HG23 VAL 12 HG23 VAL 12 16.183 -9.221 -3.113
86 H LEU 13 HN LEU 13 12.696 -7.217 -0.256
87 HA LEU 13 HA LEU 13 12.255 -9.045 1.950
88 HB2 LEU 13 HB2 LEU 13 11.320 -6.191 1.566
89 HB3 LEU 13 HB1 LEU 13 11.268 -7.102 3.070
90 HG LEU 13 HG LEU 13 13.787 -6.405 1.526
91 HD11 LEU 13 HD11 LEU 13 13.985 -5.228 3.989
92 HD12 LEU 13 HD12 LEU 13 12.258 -5.062 3.667
93 HD13 LEU 13 HD13 LEU 13 13.435 -4.397 2.534
94 HD21 LEU 13 HD21 LEU 13 14.701 -7.140 3.911
95 HD22 LEU 13 HD22 LEU 13 14.378 -8.347 2.667
96 HD23 LEU 13 HD23 LEU 13 13.204 -8.073 3.954
97 H GLY 14 HN GLY 14 10.471 -7.780 -0.751
98 HA2 GLY 14 HA2 GLY 14 8.473 -8.587 -1.638
99 HA3 GLY 14 HA1 GLY 14 8.276 -9.595 -0.209
100 H ILE 15 HN ILE 15 9.003 -6.534 0.838
101 HA ILE 15 HA ILE 15 6.190 -5.654 0.865
102 HB ILE 15 HB ILE 15 6.549 -4.961 3.278
103 HG12 ILE 15 HG12 ILE 15 8.282 -6.354 4.485
104 HG13 ILE 15 HG11 ILE 15 8.941 -6.801 2.915
105 HG21 ILE 15 HG21 ILE 15 6.558 -7.881 2.479
106 HG22 ILE 15 HG22 ILE 15 5.152 -6.852 2.759
107 HG23 ILE 15 HG23 ILE 15 6.189 -7.314 4.108
108 HD11 ILE 15 HD11 ILE 15 9.901 -4.724 4.280
109 HD12 ILE 15 HD12 ILE 15 8.569 -3.886 3.490
110 HD13 ILE 15 HD13 ILE 15 9.802 -4.692 2.523
111 H CYS 16 HN CYS 16 6.074 -3.348 1.837
112 HA CYS 16 HA CYS 16 7.968 -1.716 0.324
113 HB2 CYS 16 HB2 CYS 16 5.563 -0.868 1.962
114 HB3 CYS 16 HB1 CYS 16 6.439 0.115 0.790
115 H THR 17 HN THR 17 9.494 -0.381 1.222
116 HA THR 17 HA THR 17 9.609 -0.234 4.178
117 HB THR 17 HB THR 17 12.055 -0.401 4.044
118 HG1 THR 17 HG1 THR 17 11.531 -0.009 1.447
119 HG21 THR 17 HG21 THR 17 10.350 -2.439 4.025
120 HG22 THR 17 HG22 THR 17 12.090 -2.707 3.910
121 HG23 THR 17 HG23 THR 17 11.094 -2.741 2.455
122 H ILE 18 HN ILE 18 10.659 1.622 5.039
123 HA ILE 18 HA ILE 18 10.084 4.010 3.550
124 HB ILE 18 HB ILE 18 9.916 3.586 6.120
125 HG12 ILE 18 HG12 ILE 18 11.230 6.141 5.139
126 HG13 ILE 18 HG11 ILE 18 9.519 5.772 4.922
127 HG21 ILE 18 HG21 ILE 18 12.726 4.673 6.054
128 HG22 ILE 18 HG22 ILE 18 12.436 2.934 6.085
129 HG23 ILE 18 HG23 ILE 18 11.854 3.948 7.406
130 HD11 ILE 18 HD11 ILE 18 10.995 6.085 7.547
131 HD12 ILE 18 HD12 ILE 18 9.344 5.479 7.418
132 HD13 ILE 18 HD13 ILE 18 9.722 7.125 6.909
133 H THR 19 HN THR 19 11.516 5.524 2.743
134 HA THR 19 HA THR 19 14.385 4.969 2.910
135 HB THR 19 HB THR 19 13.582 3.746 0.913
136 HG1 THR 19 HG1 THR 19 14.871 5.333 -0.572
137 HG21 THR 19 HG21 THR 19 13.030 6.226 -0.580
138 HG22 THR 19 HG22 THR 19 11.824 5.827 0.645
139 HG23 THR 19 HG23 THR 19 12.201 4.671 -0.634
140 H LEU 20 HN LEU 20 15.668 6.782 2.636
141 HA LEU 20 HA LEU 20 14.356 9.307 1.914
142 HB2 LEU 20 HB2 LEU 20 14.922 8.585 4.582
143 HB3 LEU 20 HB1 LEU 20 16.174 9.735 4.123
144 HG LEU 20 HG LEU 20 14.267 10.944 5.046
145 HD11 LEU 20 HD11 LEU 20 15.478 11.451 2.601
146 HD12 LEU 20 HD12 LEU 20 14.504 12.594 3.526
147 HD13 LEU 20 HD13 LEU 20 13.759 11.630 2.250
148 HD21 LEU 20 HD21 LEU 20 12.091 10.512 4.531
149 HD22 LEU 20 HD22 LEU 20 12.714 8.965 3.966
150 HD23 LEU 20 HD23 LEU 20 12.437 10.276 2.820
151 H SER 21 HN SER 21 17.508 8.399 3.310
152 HA SER 21 HA SER 21 18.984 10.116 1.608
153 HB2 SER 21 HB2 SER 21 20.952 9.008 2.518
154 HB3 SER 21 HB1 SER 21 19.794 9.311 3.809
155 HG SER 21 HG SER 21 20.845 7.010 3.088
156 H ARG 22 HN ARG 22 17.759 6.907 1.210
157 HA ARG 22 HA ARG 22 18.821 6.836 -1.508
158 HB2 ARG 22 HB2 ARG 22 20.558 5.713 -0.148
159 HB3 ARG 22 HB1 ARG 22 19.341 4.592 0.461
160 HG2 ARG 22 HG2 ARG 22 18.913 3.778 -1.813
161 HG3 ARG 22 HG1 ARG 22 20.068 4.941 -2.463
162 HD2 ARG 22 HD2 ARG 22 21.876 3.883 -1.174
163 HD3 ARG 22 HD1 ARG 22 20.727 2.734 -0.492
164 HE ARG 22 HE ARG 22 20.568 2.578 -3.298
165 HH11 ARG 22 HH11 ARG 22 21.642 0.887 -4.371
166 HH12 ARG 22 HH12 ARG 22 22.950 0.066 -3.589
167 HH21 ARG 22 HH21 ARG 22 22.761 1.965 -0.693
168 HH22 ARG 22 HH22 ARG 22 23.584 0.675 -1.506
Start of MODEL 4
1 H GLN 1 HN GLN 1 1.919 -4.760 -4.883
2 HA GLN 1 HA GLN 1 -0.564 -4.519 -3.288
3 HB2 GLN 1 HB2 GLN 1 2.215 -4.477 -2.129
4 HB3 GLN 1 HB1 GLN 1 0.687 -4.821 -1.317
5 HG2 GLN 1 HG2 GLN 1 0.461 -6.894 -2.672
6 HG3 GLN 1 HG1 GLN 1 2.030 -6.563 -3.406
7 HE21 GLN 1 HE21 GLN 1 0.458 -7.324 -0.285
8 HE22 GLN 1 HE22 GLN 1 1.867 -7.915 0.456
9 H TRP 2 HN TRP 2 -1.207 -2.543 -2.662
10 HA TRP 2 HA TRP 2 0.010 -0.216 -3.746
11 HB2 TRP 2 HB2 TRP 2 -2.397 -0.341 -3.290
12 HB3 TRP 2 HB1 TRP 2 -2.070 -0.490 -1.563
13 HD1 TRP 2 HD1 TRP 2 -1.892 2.016 -4.445
14 HE1 TRP 2 HE1 TRP 2 -1.706 4.391 -3.461
15 HE3 TRP 2 HE3 TRP 2 -1.334 0.878 0.501
16 HZ2 TRP 2 HZ2 TRP 2 -1.368 5.643 -0.910
17 HZ3 TRP 2 HZ3 TRP 2 -1.083 2.678 2.185
18 HH2 TRP 2 HH2 TRP 2 -1.099 5.058 1.487
19 H CYS 3 HN CYS 3 1.578 1.038 -2.977
20 HA CYS 3 HA CYS 3 2.369 0.737 -0.143
21 HB2 CYS 3 HB2 CYS 3 4.134 1.151 -2.570
22 HB3 CYS 3 HB1 CYS 3 4.716 1.182 -0.899
23 H GLN 4 HN GLN 4 2.306 2.511 1.020
24 HA GLN 4 HA GLN 4 1.257 4.926 0.209
25 HB2 GLN 4 HB2 GLN 4 2.527 5.805 2.324
26 HB3 GLN 4 HB1 GLN 4 1.269 4.591 2.526
27 HG2 GLN 4 HG2 GLN 4 4.117 3.742 2.086
28 HG3 GLN 4 HG1 GLN 4 3.599 4.261 3.687
29 HE21 GLN 4 HE21 GLN 4 4.381 1.504 2.805
30 HE22 GLN 4 HE22 GLN 4 3.034 0.524 3.132
31 HA PRO 5 HA PRO 5 4.497 7.020 -1.922
32 HB2 PRO 5 HB2 PRO 5 4.190 9.613 -1.024
33 HB3 PRO 5 HB1 PRO 5 3.160 8.858 -2.256
34 HG2 PRO 5 HG2 PRO 5 2.651 9.263 0.649
35 HG3 PRO 5 HG1 PRO 5 1.542 9.413 -0.725
36 HD2 PRO 5 HD2 PRO 5 1.535 7.239 0.893
37 HD3 PRO 5 HD1 PRO 5 1.150 7.119 -0.834
38 H GLY 6 HN GLY 6 6.640 7.631 -1.627
39 HA2 GLY 6 HA2 GLY 6 8.530 8.374 -0.414
40 HA3 GLY 6 HA1 GLY 6 7.589 8.270 1.073
41 H TYR 7 HN TYR 7 6.738 5.542 -0.350
42 HA TYR 7 HA TYR 7 8.933 3.979 0.866
43 HB2 TYR 7 HB2 TYR 7 6.004 3.370 0.456
44 HB3 TYR 7 HB1 TYR 7 7.182 2.134 0.863
45 HD1 TYR 7 HD1 TYR 7 6.091 5.544 1.987
46 HD2 TYR 7 HD2 TYR 7 7.596 1.680 3.112
47 HE1 TYR 7 HE1 TYR 7 5.942 6.178 4.380
48 HE2 TYR 7 HE2 TYR 7 7.456 2.320 5.502
49 HH TYR 7 HH TYR 7 5.695 4.530 6.707
50 H ALA 8 HN ALA 8 9.837 2.277 -0.290
51 HA ALA 8 HA ALA 8 9.108 2.134 -3.157
52 HB1 ALA 8 HB1 ALA 8 11.169 3.155 -3.302
53 HB2 ALA 8 HB2 ALA 8 11.659 1.462 -3.312
54 HB3 ALA 8 HB3 ALA 8 11.767 2.402 -1.824
55 H TYR 9 HN TYR 9 8.793 0.174 -3.999
56 HA TYR 9 HA TYR 9 8.430 -2.089 -2.381
57 HB2 TYR 9 HB2 TYR 9 7.307 -1.828 -4.538
58 HB3 TYR 9 HB1 TYR 9 8.860 -1.947 -5.368
59 HD1 TYR 9 HD1 TYR 9 6.518 -3.787 -3.129
60 HD2 TYR 9 HD2 TYR 9 9.851 -4.072 -5.836
61 HE1 TYR 9 HE1 TYR 9 6.332 -6.259 -3.102
62 HE2 TYR 9 HE2 TYR 9 9.657 -6.542 -5.806
63 HH TYR 9 HH TYR 9 7.555 -8.218 -5.296
64 H ASN 10 HN ASN 10 9.729 -3.633 -1.675
65 HA ASN 10 HA ASN 10 12.495 -3.695 -2.687
66 HB2 ASN 10 HB2 ASN 10 11.429 -3.634 -0.011
67 HB3 ASN 10 HB1 ASN 10 12.396 -5.084 -0.264
68 HD21 ASN 10 HD21 ASN 10 14.588 -4.813 0.014
69 HD22 ASN 10 HD22 ASN 10 15.410 -3.339 -0.124
70 HA PRO 11 HA PRO 11 10.923 -7.746 -3.987
71 HB2 PRO 11 HB2 PRO 11 13.085 -8.501 -5.496
72 HB3 PRO 11 HB1 PRO 11 11.795 -7.438 -6.083
73 HG2 PRO 11 HG2 PRO 11 14.534 -6.775 -5.198
74 HG3 PRO 11 HG1 PRO 11 13.505 -5.989 -6.408
75 HD2 PRO 11 HD2 PRO 11 13.957 -5.041 -3.831
76 HD3 PRO 11 HD1 PRO 11 12.606 -4.552 -4.871
77 H VAL 12 HN VAL 12 14.063 -7.099 -2.565
78 HA VAL 12 HA VAL 12 14.774 -9.758 -1.896
79 HB VAL 12 HB VAL 12 15.514 -7.099 -0.660
80 HG11 VAL 12 HG11 VAL 12 17.473 -8.646 0.201
81 HG12 VAL 12 HG12 VAL 12 16.262 -9.917 0.046
82 HG13 VAL 12 HG13 VAL 12 15.966 -8.543 1.109
83 HG21 VAL 12 HG21 VAL 12 17.064 -9.027 -2.418
84 HG22 VAL 12 HG22 VAL 12 17.608 -7.442 -1.869
85 HG23 VAL 12 HG23 VAL 12 16.263 -7.568 -3.002
86 H LEU 13 HN LEU 13 13.047 -7.213 -0.114
87 HA LEU 13 HA LEU 13 12.522 -8.986 2.130
88 HB2 LEU 13 HB2 LEU 13 11.499 -6.192 1.557
89 HB3 LEU 13 HB1 LEU 13 11.342 -7.057 3.083
90 HG LEU 13 HG LEU 13 13.962 -6.295 1.759
91 HD11 LEU 13 HD11 LEU 13 12.215 -4.997 3.785
92 HD12 LEU 13 HD12 LEU 13 13.329 -4.271 2.626
93 HD13 LEU 13 HD13 LEU 13 13.947 -4.986 4.115
94 HD21 LEU 13 HD21 LEU 13 13.224 -7.913 4.175
95 HD22 LEU 13 HD22 LEU 13 14.672 -6.908 4.248
96 HD23 LEU 13 HD23 LEU 13 14.532 -8.163 3.019
97 H GLY 14 HN GLY 14 10.974 -7.950 -0.790
98 HA2 GLY 14 HA2 GLY 14 9.108 -8.884 -1.824
99 HA3 GLY 14 HA1 GLY 14 8.794 -9.814 -0.363
100 H ILE 15 HN ILE 15 9.307 -6.723 0.632
101 HA ILE 15 HA ILE 15 6.519 -5.866 0.239
102 HB ILE 15 HB ILE 15 6.483 -5.160 2.669
103 HG12 ILE 15 HG12 ILE 15 8.027 -6.531 4.146
104 HG13 ILE 15 HG11 ILE 15 8.941 -6.949 2.701
105 HG21 ILE 15 HG21 ILE 15 6.674 -8.091 1.936
106 HG22 ILE 15 HG22 ILE 15 5.225 -7.087 1.939
107 HG23 ILE 15 HG23 ILE 15 6.015 -7.498 3.461
108 HD11 ILE 15 HD11 ILE 15 8.415 -4.047 3.189
109 HD12 ILE 15 HD12 ILE 15 9.826 -4.834 2.486
110 HD13 ILE 15 HD13 ILE 15 9.589 -4.847 4.230
111 H CYS 16 HN CYS 16 6.242 -3.542 1.085
112 HA CYS 16 HA CYS 16 8.401 -1.967 -0.073
113 HB2 CYS 16 HB2 CYS 16 5.631 -1.244 0.893
114 HB3 CYS 16 HB1 CYS 16 6.790 -0.060 0.301
115 H THR 17 HN THR 17 9.656 -0.508 0.975
116 HA THR 17 HA THR 17 9.338 -0.280 3.904
117 HB THR 17 HB THR 17 11.780 -0.371 4.136
118 HG1 THR 17 HG1 THR 17 11.682 0.053 1.539
119 HG21 THR 17 HG21 THR 17 10.093 -2.490 3.706
120 HG22 THR 17 HG22 THR 17 11.767 -2.637 4.241
121 HG23 THR 17 HG23 THR 17 11.370 -2.804 2.530
122 H ILE 18 HN ILE 18 10.255 1.667 4.814
123 HA ILE 18 HA ILE 18 9.729 3.964 3.198
124 HB ILE 18 HB ILE 18 9.463 3.698 5.758
125 HG12 ILE 18 HG12 ILE 18 10.917 6.169 4.770
126 HG13 ILE 18 HG11 ILE 18 9.219 5.843 4.431
127 HG21 ILE 18 HG21 ILE 18 11.945 2.958 5.895
128 HG22 ILE 18 HG22 ILE 18 11.348 4.074 7.123
129 HG23 ILE 18 HG23 ILE 18 12.315 4.679 5.776
130 HD11 ILE 18 HD11 ILE 18 10.456 6.103 7.186
131 HD12 ILE 18 HD12 ILE 18 8.763 5.730 6.862
132 HD13 ILE 18 HD13 ILE 18 9.425 7.296 6.397
133 H THR 19 HN THR 19 11.203 5.619 2.594
134 HA THR 19 HA THR 19 14.026 4.749 2.418
135 HB THR 19 HB THR 19 14.135 5.809 0.206
136 HG1 THR 19 HG1 THR 19 11.349 6.003 0.166
137 HG21 THR 19 HG21 THR 19 11.769 4.138 -0.239
138 HG22 THR 19 HG22 THR 19 12.951 3.392 0.837
139 HG23 THR 19 HG23 THR 19 13.430 3.900 -0.783
140 H LEU 20 HN LEU 20 15.591 6.415 2.459
141 HA LEU 20 HA LEU 20 14.625 9.089 3.230
142 HB2 LEU 20 HB2 LEU 20 15.815 7.187 4.995
143 HB3 LEU 20 HB1 LEU 20 16.981 8.479 4.732
144 HG LEU 20 HG LEU 20 15.531 9.003 6.644
145 HD11 LEU 20 HD11 LEU 20 16.037 10.654 4.426
146 HD12 LEU 20 HD12 LEU 20 15.633 11.171 6.064
147 HD13 LEU 20 HD13 LEU 20 14.357 10.964 4.865
148 HD21 LEU 20 HD21 LEU 20 13.265 8.785 6.622
149 HD22 LEU 20 HD22 LEU 20 13.555 7.738 5.234
150 HD23 LEU 20 HD23 LEU 20 13.122 9.429 4.986
151 H SER 21 HN SER 21 17.120 7.027 1.917
152 HA SER 21 HA SER 21 18.691 7.512 0.286
153 HB2 SER 21 HB2 SER 21 18.550 9.460 -0.918
154 HB3 SER 21 HB1 SER 21 16.972 9.514 -0.138
155 HG SER 21 HG SER 21 19.293 10.981 0.368
156 H ARG 22 HN ARG 22 20.877 8.375 0.213
157 HA ARG 22 HA ARG 22 22.132 8.386 2.748
158 HB2 ARG 22 HB2 ARG 22 24.170 9.082 1.444
159 HB3 ARG 22 HB1 ARG 22 23.370 7.637 0.826
160 HG2 ARG 22 HG2 ARG 22 22.192 9.010 -0.858
161 HG3 ARG 22 HG1 ARG 22 23.010 10.449 -0.250
162 HD2 ARG 22 HD2 ARG 22 24.416 8.011 -1.371
163 HD3 ARG 22 HD1 ARG 22 24.125 9.497 -2.260
164 HE ARG 22 HE ARG 22 25.661 10.627 -0.810
165 HH11 ARG 22 HH11 ARG 22 27.637 10.485 0.268
166 HH12 ARG 22 HH12 ARG 22 28.186 8.960 0.879
167 HH21 ARG 22 HH21 ARG 22 25.414 7.203 -0.216
168 HH22 ARG 22 HH22 ARG 22 26.933 7.114 0.604
Start of MODEL 5
1 H GLN 1 HN GLN 1 1.472 -3.665 -6.509
2 HA GLN 1 HA GLN 1 -0.499 -3.526 -4.301
3 HB2 GLN 1 HB2 GLN 1 2.514 -3.732 -4.071
4 HB3 GLN 1 HB1 GLN 1 1.355 -3.743 -2.742
5 HG2 GLN 1 HG2 GLN 1 1.523 -5.812 -4.953
6 HG3 GLN 1 HG1 GLN 1 2.076 -6.035 -3.294
7 HE21 GLN 1 HE21 GLN 1 0.142 -5.312 -1.642
8 HE22 GLN 1 HE22 GLN 1 -1.357 -6.012 -2.016
9 H TRP 2 HN TRP 2 -0.346 -1.700 -2.883
10 HA TRP 2 HA TRP 2 0.758 0.695 -4.223
11 HB2 TRP 2 HB2 TRP 2 -1.683 0.722 -3.992
12 HB3 TRP 2 HB1 TRP 2 -1.525 0.465 -2.255
13 HD1 TRP 2 HD1 TRP 2 -0.942 3.089 -4.966
14 HE1 TRP 2 HE1 TRP 2 -0.647 5.390 -3.841
15 HE3 TRP 2 HE3 TRP 2 -0.817 1.667 -0.062
16 HZ2 TRP 2 HZ2 TRP 2 -0.394 6.483 -1.209
17 HZ3 TRP 2 HZ3 TRP 2 -0.549 3.355 1.731
18 HH2 TRP 2 HH2 TRP 2 -0.336 5.759 1.164
19 H CYS 3 HN CYS 3 2.432 1.630 -3.284
20 HA CYS 3 HA CYS 3 2.875 1.199 -0.390
21 HB2 CYS 3 HB2 CYS 3 4.899 1.524 -2.622
22 HB3 CYS 3 HB1 CYS 3 5.316 1.456 -0.903
23 H GLN 4 HN GLN 4 2.837 2.929 0.836
24 HA GLN 4 HA GLN 4 2.100 5.458 0.049
25 HB2 GLN 4 HB2 GLN 4 3.241 6.143 2.300
26 HB3 GLN 4 HB1 GLN 4 1.880 5.028 2.341
27 HG2 GLN 4 HG2 GLN 4 4.685 3.973 2.109
28 HG3 GLN 4 HG1 GLN 4 4.064 4.465 3.682
29 HE21 GLN 4 HE21 GLN 4 4.713 1.694 2.735
30 HE22 GLN 4 HE22 GLN 4 3.272 0.812 2.898
31 HA PRO 5 HA PRO 5 5.697 7.315 -1.700
32 HB2 PRO 5 HB2 PRO 5 5.534 9.895 -0.735
33 HB3 PRO 5 HB1 PRO 5 4.559 9.276 -2.080
34 HG2 PRO 5 HG2 PRO 5 3.826 9.635 0.782
35 HG3 PRO 5 HG1 PRO 5 2.862 9.927 -0.678
36 HD2 PRO 5 HD2 PRO 5 2.521 7.714 0.849
37 HD3 PRO 5 HD1 PRO 5 2.282 7.683 -0.905
38 H GLY 6 HN GLY 6 7.847 7.730 -1.190
39 HA2 GLY 6 HA2 GLY 6 9.672 8.260 0.219
40 HA3 GLY 6 HA1 GLY 6 8.589 8.187 1.610
41 H TYR 7 HN TYR 7 7.649 5.597 -0.002
42 HA TYR 7 HA TYR 7 9.585 3.804 1.329
43 HB2 TYR 7 HB2 TYR 7 6.657 3.479 0.664
44 HB3 TYR 7 HB1 TYR 7 7.684 2.125 1.105
45 HD1 TYR 7 HD1 TYR 7 6.784 5.567 2.294
46 HD2 TYR 7 HD2 TYR 7 7.902 1.559 3.358
47 HE1 TYR 7 HE1 TYR 7 6.501 6.124 4.694
48 HE2 TYR 7 HE2 TYR 7 7.628 2.119 5.756
49 HH TYR 7 HH TYR 7 7.751 4.414 7.136
50 H ALA 8 HN ALA 8 10.404 2.039 0.183
51 HA ALA 8 HA ALA 8 9.911 2.068 -2.736
52 HB1 ALA 8 HB1 ALA 8 12.132 3.051 -2.020
53 HB2 ALA 8 HB2 ALA 8 12.233 1.700 -3.150
54 HB3 ALA 8 HB3 ALA 8 12.563 1.444 -1.436
55 H TYR 9 HN TYR 9 9.538 0.170 -3.690
56 HA TYR 9 HA TYR 9 8.852 -2.111 -2.206
57 HB2 TYR 9 HB2 TYR 9 7.958 -1.690 -4.443
58 HB3 TYR 9 HB1 TYR 9 9.566 -1.905 -5.135
59 HD1 TYR 9 HD1 TYR 9 6.885 -3.622 -3.201
60 HD2 TYR 9 HD2 TYR 9 10.441 -4.088 -5.579
61 HE1 TYR 9 HE1 TYR 9 6.513 -6.071 -3.284
62 HE2 TYR 9 HE2 TYR 9 10.059 -6.536 -5.659
63 HH TYR 9 HH TYR 9 7.175 -7.979 -4.879
64 H ASN 10 HN ASN 10 9.954 -3.791 -1.464
65 HA ASN 10 HA ASN 10 12.790 -4.036 -2.226
66 HB2 ASN 10 HB2 ASN 10 11.499 -3.979 0.344
67 HB3 ASN 10 HB1 ASN 10 12.340 -5.510 0.114
68 HD21 ASN 10 HD21 ASN 10 14.517 -5.469 0.590
69 HD22 ASN 10 HD22 ASN 10 15.483 -4.079 0.598
70 HA PRO 11 HA PRO 11 11.036 -7.887 -3.855
71 HB2 PRO 11 HB2 PRO 11 13.274 -8.768 -5.177
72 HB3 PRO 11 HB1 PRO 11 12.137 -7.581 -5.839
73 HG2 PRO 11 HG2 PRO 11 14.817 -7.180 -4.664
74 HG3 PRO 11 HG1 PRO 11 13.978 -6.267 -5.931
75 HD2 PRO 11 HD2 PRO 11 14.246 -5.455 -3.285
76 HD3 PRO 11 HD1 PRO 11 13.045 -4.819 -4.426
77 H VAL 12 HN VAL 12 14.058 -7.571 -2.104
78 HA VAL 12 HA VAL 12 14.471 -10.307 -1.495
79 HB VAL 12 HB VAL 12 15.305 -7.774 -0.070
80 HG11 VAL 12 HG11 VAL 12 15.487 -9.288 1.675
81 HG12 VAL 12 HG12 VAL 12 17.035 -9.559 0.875
82 HG13 VAL 12 HG13 VAL 12 15.693 -10.667 0.595
83 HG21 VAL 12 HG21 VAL 12 16.158 -8.893 -2.453
84 HG22 VAL 12 HG22 VAL 12 17.308 -9.545 -1.286
85 HG23 VAL 12 HG23 VAL 12 17.109 -7.801 -1.445
86 H LEU 13 HN LEU 13 12.791 -7.690 0.225
87 HA LEU 13 HA LEU 13 11.894 -9.497 2.320
88 HB2 LEU 13 HB2 LEU 13 11.185 -6.598 1.795
89 HB3 LEU 13 HB1 LEU 13 10.806 -7.506 3.256
90 HG LEU 13 HG LEU 13 13.598 -6.936 2.217
91 HD11 LEU 13 HD11 LEU 13 12.974 -4.894 3.103
92 HD12 LEU 13 HD12 LEU 13 13.533 -5.696 4.572
93 HD13 LEU 13 HD13 LEU 13 11.809 -5.613 4.214
94 HD21 LEU 13 HD21 LEU 13 14.010 -7.716 4.726
95 HD22 LEU 13 HD22 LEU 13 13.877 -8.902 3.426
96 HD23 LEU 13 HD23 LEU 13 12.493 -8.579 4.470
97 H GLY 14 HN GLY 14 10.739 -8.195 -0.674
98 HA2 GLY 14 HA2 GLY 14 8.904 -8.904 -1.924
99 HA3 GLY 14 HA1 GLY 14 8.371 -9.865 -0.549
100 H ILE 15 HN ILE 15 9.062 -6.883 0.649
101 HA ILE 15 HA ILE 15 6.405 -5.756 0.059
102 HB ILE 15 HB ILE 15 6.221 -5.141 2.506
103 HG12 ILE 15 HG12 ILE 15 7.509 -6.703 4.042
104 HG13 ILE 15 HG11 ILE 15 8.507 -7.139 2.661
105 HG21 ILE 15 HG21 ILE 15 5.460 -7.434 3.153
106 HG22 ILE 15 HG22 ILE 15 6.233 -8.061 1.696
107 HG23 ILE 15 HG23 ILE 15 4.883 -6.933 1.563
108 HD11 ILE 15 HD11 ILE 15 9.580 -5.101 2.622
109 HD12 ILE 15 HD12 ILE 15 9.188 -5.162 4.336
110 HD13 ILE 15 HD13 ILE 15 8.182 -4.223 3.239
111 H CYS 16 HN CYS 16 6.264 -3.450 0.995
112 HA CYS 16 HA CYS 16 8.648 -2.038 0.092
113 HB2 CYS 16 HB2 CYS 16 5.882 -1.091 0.856
114 HB3 CYS 16 HB1 CYS 16 7.191 -0.007 0.403
115 H THR 17 HN THR 17 9.932 -0.749 1.301
116 HA THR 17 HA THR 17 9.382 -0.592 4.202
117 HB THR 17 HB THR 17 11.778 -0.916 4.630
118 HG1 THR 17 HG1 THR 17 12.808 -1.877 2.567
119 HG21 THR 17 HG21 THR 17 11.534 -3.169 4.661
120 HG22 THR 17 HG22 THR 17 11.301 -3.256 2.915
121 HG23 THR 17 HG23 THR 17 9.944 -2.855 3.967
122 H ILE 18 HN ILE 18 10.382 1.228 5.265
123 HA ILE 18 HA ILE 18 10.167 3.623 3.750
124 HB ILE 18 HB ILE 18 9.812 3.235 6.301
125 HG12 ILE 18 HG12 ILE 18 11.411 5.669 5.443
126 HG13 ILE 18 HG11 ILE 18 9.704 5.449 5.063
127 HG21 ILE 18 HG21 ILE 18 12.705 4.078 6.412
128 HG22 ILE 18 HG22 ILE 18 12.264 2.369 6.422
129 HG23 ILE 18 HG23 ILE 18 11.691 3.436 7.706
130 HD11 ILE 18 HD11 ILE 18 10.197 4.938 7.872
131 HD12 ILE 18 HD12 ILE 18 9.086 6.087 7.126
132 HD13 ILE 18 HD13 ILE 18 10.763 6.546 7.418
133 H THR 19 HN THR 19 11.773 5.129 3.194
134 HA THR 19 HA THR 19 14.545 4.112 3.211
135 HB THR 19 HB THR 19 14.848 4.999 0.943
136 HG1 THR 19 HG1 THR 19 13.360 6.175 0.041
137 HG21 THR 19 HG21 THR 19 13.474 2.696 1.665
138 HG22 THR 19 HG22 THR 19 14.147 3.040 0.072
139 HG23 THR 19 HG23 THR 19 12.456 3.409 0.415
140 H LEU 20 HN LEU 20 16.166 5.747 3.141
141 HA LEU 20 HA LEU 20 15.219 8.400 4.050
142 HB2 LEU 20 HB2 LEU 20 16.294 7.140 5.855
143 HB3 LEU 20 HB1 LEU 20 17.718 6.888 4.849
144 HG LEU 20 HG LEU 20 18.094 9.335 4.763
145 HD11 LEU 20 HD11 LEU 20 15.482 9.309 6.226
146 HD12 LEU 20 HD12 LEU 20 16.060 10.424 4.988
147 HD13 LEU 20 HD13 LEU 20 16.656 10.557 6.643
148 HD21 LEU 20 HD21 LEU 20 18.477 9.624 7.301
149 HD22 LEU 20 HD22 LEU 20 19.283 8.269 6.511
150 HD23 LEU 20 HD23 LEU 20 17.818 7.996 7.454
151 H SER 21 HN SER 21 15.725 10.032 2.747
152 HA SER 21 HA SER 21 16.682 11.234 1.038
153 HB2 SER 21 HB2 SER 21 19.155 9.755 1.964
154 HB3 SER 21 HB1 SER 21 19.144 11.183 0.932
155 HG SER 21 HG SER 21 18.299 12.365 2.605
156 H ARG 22 HN ARG 22 15.398 8.835 0.282
157 HA ARG 22 HA ARG 22 15.214 7.351 -1.466
158 HB2 ARG 22 HB2 ARG 22 15.298 9.466 -2.729
159 HB3 ARG 22 HB1 ARG 22 17.058 9.355 -2.790
160 HG2 ARG 22 HG2 ARG 22 16.939 7.295 -4.070
161 HG3 ARG 22 HG1 ARG 22 15.184 7.243 -3.896
162 HD2 ARG 22 HD2 ARG 22 16.686 9.489 -5.263
163 HD3 ARG 22 HD1 ARG 22 15.949 8.135 -6.115
164 HE ARG 22 HE ARG 22 13.974 9.271 -4.493
165 HH11 ARG 22 HH11 ARG 22 12.489 10.742 -5.384
166 HH12 ARG 22 HH12 ARG 22 12.886 11.590 -6.840
167 HH21 ARG 22 HH21 ARG 22 16.005 10.109 -7.166
168 HH22 ARG 22 HH22 ARG 22 14.877 11.233 -7.849
Start of MODEL 6
1 H GLN 1 HN GLN 1 0.110 -4.774 -6.028
2 HA GLN 1 HA GLN 1 -0.944 -3.661 -3.823
3 HB2 GLN 1 HB2 GLN 1 2.041 -3.913 -4.274
4 HB3 GLN 1 HB1 GLN 1 1.233 -3.847 -2.709
5 HG2 GLN 1 HG2 GLN 1 0.820 -5.989 -4.817
6 HG3 GLN 1 HG1 GLN 1 1.761 -6.174 -3.339
7 HE21 GLN 1 HE21 GLN 1 -1.207 -6.930 -4.588
8 HE22 GLN 1 HE22 GLN 1 -2.125 -6.936 -3.159
9 H TRP 2 HN TRP 2 -0.556 -1.830 -2.491
10 HA TRP 2 HA TRP 2 0.422 0.541 -3.971
11 HB2 TRP 2 HB2 TRP 2 -2.005 0.616 -3.614
12 HB3 TRP 2 HB1 TRP 2 -1.758 0.379 -1.884
13 HD1 TRP 2 HD1 TRP 2 -1.278 2.955 -4.659
14 HE1 TRP 2 HE1 TRP 2 -0.885 5.266 -3.585
15 HE3 TRP 2 HE3 TRP 2 -0.912 1.596 0.250
16 HZ2 TRP 2 HZ2 TRP 2 -0.471 6.389 -0.987
17 HZ3 TRP 2 HZ3 TRP 2 -0.518 3.304 2.001
18 HH2 TRP 2 HH2 TRP 2 -0.297 5.696 1.390
19 H CYS 3 HN CYS 3 2.162 1.453 -3.139
20 HA CYS 3 HA CYS 3 2.746 1.063 -0.266
21 HB2 CYS 3 HB2 CYS 3 4.659 1.303 -2.602
22 HB3 CYS 3 HB1 CYS 3 5.164 1.251 -0.908
23 H GLN 4 HN GLN 4 2.791 2.818 0.925
24 HA GLN 4 HA GLN 4 2.070 5.345 0.129
25 HB2 GLN 4 HB2 GLN 4 3.359 6.049 2.299
26 HB3 GLN 4 HB1 GLN 4 1.971 4.975 2.438
27 HG2 GLN 4 HG2 GLN 4 4.727 3.833 2.075
28 HG3 GLN 4 HG1 GLN 4 4.207 4.372 3.670
29 HE21 GLN 4 HE21 GLN 4 4.725 1.566 2.752
30 HE22 GLN 4 HE22 GLN 4 3.272 0.730 3.009
31 HA PRO 5 HA PRO 5 5.598 7.096 -1.854
32 HB2 PRO 5 HB2 PRO 5 5.540 9.697 -0.934
33 HB3 PRO 5 HB1 PRO 5 4.477 9.070 -2.208
34 HG2 PRO 5 HG2 PRO 5 3.917 9.499 0.685
35 HG3 PRO 5 HG1 PRO 5 2.879 9.785 -0.722
36 HD2 PRO 5 HD2 PRO 5 2.580 7.607 0.861
37 HD3 PRO 5 HD1 PRO 5 2.242 7.549 -0.875
38 H GLY 6 HN GLY 6 7.783 7.466 -1.472
39 HA2 GLY 6 HA2 GLY 6 9.695 7.987 -0.184
40 HA3 GLY 6 HA1 GLY 6 8.693 7.977 1.267
41 H TYR 7 HN TYR 7 7.608 5.367 -0.221
42 HA TYR 7 HA TYR 7 9.571 3.565 1.056
43 HB2 TYR 7 HB2 TYR 7 6.610 3.285 0.538
44 HB3 TYR 7 HB1 TYR 7 7.630 1.921 0.962
45 HD1 TYR 7 HD1 TYR 7 6.868 5.410 2.107
46 HD2 TYR 7 HD2 TYR 7 7.935 1.400 3.216
47 HE1 TYR 7 HE1 TYR 7 6.708 6.030 4.504
48 HE2 TYR 7 HE2 TYR 7 7.786 2.022 5.610
49 HH TYR 7 HH TYR 7 6.254 4.236 6.838
50 H ALA 8 HN ALA 8 10.321 1.775 -0.085
51 HA ALA 8 HA ALA 8 9.692 1.742 -2.979
52 HB1 ALA 8 HB1 ALA 8 12.374 1.245 -1.667
53 HB2 ALA 8 HB2 ALA 8 11.924 2.690 -2.574
54 HB3 ALA 8 HB3 ALA 8 12.033 1.133 -3.396
55 H TYR 9 HN TYR 9 9.224 -0.168 -3.867
56 HA TYR 9 HA TYR 9 8.553 -2.396 -2.301
57 HB2 TYR 9 HB2 TYR 9 7.565 -2.004 -4.504
58 HB3 TYR 9 HB1 TYR 9 9.135 -2.273 -5.262
59 HD1 TYR 9 HD1 TYR 9 6.517 -3.885 -3.160
60 HD2 TYR 9 HD2 TYR 9 9.933 -4.483 -5.706
61 HE1 TYR 9 HE1 TYR 9 6.085 -6.326 -3.168
62 HE2 TYR 9 HE2 TYR 9 9.492 -6.922 -5.713
63 HH TYR 9 HH TYR 9 7.422 -8.420 -5.358
64 H ASN 10 HN ASN 10 9.649 -4.085 -1.568
65 HA ASN 10 HA ASN 10 12.439 -4.419 -2.454
66 HB2 ASN 10 HB2 ASN 10 11.271 -4.267 0.173
67 HB3 ASN 10 HB1 ASN 10 12.077 -5.818 -0.056
68 HD21 ASN 10 HD21 ASN 10 14.271 -5.797 0.328
69 HD22 ASN 10 HD22 ASN 10 15.260 -4.426 0.243
70 HA PRO 11 HA PRO 11 10.520 -8.270 -3.888
71 HB2 PRO 11 HB2 PRO 11 12.671 -9.238 -5.293
72 HB3 PRO 11 HB1 PRO 11 11.528 -8.044 -5.932
73 HG2 PRO 11 HG2 PRO 11 14.272 -7.670 -4.908
74 HG3 PRO 11 HG1 PRO 11 13.386 -6.772 -6.153
75 HD2 PRO 11 HD2 PRO 11 13.808 -5.901 -3.543
76 HD3 PRO 11 HD1 PRO 11 12.568 -5.264 -4.640
77 H VAL 12 HN VAL 12 13.632 -7.978 -2.299
78 HA VAL 12 HA VAL 12 14.017 -10.704 -1.636
79 HB VAL 12 HB VAL 12 14.974 -8.152 -0.324
80 HG11 VAL 12 HG11 VAL 12 15.432 -11.050 0.348
81 HG12 VAL 12 HG12 VAL 12 15.130 -9.695 1.435
82 HG13 VAL 12 HG13 VAL 12 16.700 -9.862 0.649
83 HG21 VAL 12 HG21 VAL 12 16.693 -10.145 -1.756
84 HG22 VAL 12 HG22 VAL 12 16.887 -8.398 -1.617
85 HG23 VAL 12 HG23 VAL 12 15.683 -9.067 -2.720
86 H LEU 13 HN LEU 13 12.489 -8.005 0.099
87 HA LEU 13 HA LEU 13 11.664 -9.734 2.287
88 HB2 LEU 13 HB2 LEU 13 10.984 -6.837 1.712
89 HB3 LEU 13 HB1 LEU 13 10.662 -7.695 3.216
90 HG LEU 13 HG LEU 13 13.408 -7.212 2.021
91 HD11 LEU 13 HD11 LEU 13 11.796 -5.847 4.163
92 HD12 LEU 13 HD12 LEU 13 12.752 -5.131 2.865
93 HD13 LEU 13 HD13 LEU 13 13.557 -5.858 4.254
94 HD21 LEU 13 HD21 LEU 13 12.389 -8.765 4.378
95 HD22 LEU 13 HD22 LEU 13 13.934 -7.927 4.529
96 HD23 LEU 13 HD23 LEU 13 13.711 -9.148 3.276
97 H GLY 14 HN GLY 14 10.382 -8.504 -0.684
98 HA2 GLY 14 HA2 GLY 14 8.474 -9.215 -1.817
99 HA3 GLY 14 HA1 GLY 14 7.993 -10.122 -0.387
100 H ILE 15 HN ILE 15 8.799 -7.118 0.678
101 HA ILE 15 HA ILE 15 6.139 -5.955 0.186
102 HB ILE 15 HB ILE 15 6.085 -5.265 2.617
103 HG12 ILE 15 HG12 ILE 15 7.424 -6.798 4.140
104 HG13 ILE 15 HG11 ILE 15 8.344 -7.296 2.726
105 HG21 ILE 15 HG21 ILE 15 6.047 -8.231 2.000
106 HG22 ILE 15 HG22 ILE 15 4.719 -7.105 1.718
107 HG23 ILE 15 HG23 ILE 15 5.245 -7.455 3.364
108 HD11 ILE 15 HD11 ILE 15 9.448 -5.280 2.565
109 HD12 ILE 15 HD12 ILE 15 9.143 -5.280 4.299
110 HD13 ILE 15 HD13 ILE 15 8.098 -4.358 3.223
111 H CYS 16 HN CYS 16 6.090 -3.621 1.064
112 HA CYS 16 HA CYS 16 8.453 -2.285 0.000
113 HB2 CYS 16 HB2 CYS 16 5.746 -1.260 0.874
114 HB3 CYS 16 HB1 CYS 16 7.052 -0.215 0.329
115 H THR 17 HN THR 17 9.819 -0.985 1.114
116 HA THR 17 HA THR 17 9.418 -0.758 4.035
117 HB THR 17 HB THR 17 11.824 -1.125 4.351
118 HG1 THR 17 HG1 THR 17 12.863 -0.618 2.572
119 HG21 THR 17 HG21 THR 17 9.977 -3.033 3.986
120 HG22 THR 17 HG22 THR 17 11.672 -3.419 4.291
121 HG23 THR 17 HG23 THR 17 11.045 -3.438 2.642
122 H ILE 18 HN ILE 18 10.511 1.060 5.011
123 HA ILE 18 HA ILE 18 10.276 3.428 3.446
124 HB ILE 18 HB ILE 18 9.996 3.109 6.014
125 HG12 ILE 18 HG12 ILE 18 11.628 5.482 5.062
126 HG13 ILE 18 HG11 ILE 18 9.907 5.297 4.727
127 HG21 ILE 18 HG21 ILE 18 12.426 2.184 6.087
128 HG22 ILE 18 HG22 ILE 18 11.921 3.296 7.359
129 HG23 ILE 18 HG23 ILE 18 12.910 3.877 6.019
130 HD11 ILE 18 HD11 ILE 18 11.178 5.404 7.477
131 HD12 ILE 18 HD12 ILE 18 9.461 5.153 7.160
132 HD13 ILE 18 HD13 ILE 18 10.223 6.683 6.724
133 H THR 19 HN THR 19 11.912 4.913 2.859
134 HA THR 19 HA THR 19 14.645 3.790 2.739
135 HB THR 19 HB THR 19 14.885 4.737 0.489
136 HG1 THR 19 HG1 THR 19 13.188 6.353 0.938
137 HG21 THR 19 HG21 THR 19 13.442 3.158 -0.691
138 HG22 THR 19 HG22 THR 19 12.406 3.008 0.729
139 HG23 THR 19 HG23 THR 19 14.063 2.405 0.779
140 H LEU 20 HN LEU 20 16.334 5.354 2.661
141 HA LEU 20 HA LEU 20 15.539 8.040 3.617
142 HB2 LEU 20 HB2 LEU 20 16.501 6.709 5.439
143 HB3 LEU 20 HB1 LEU 20 17.926 6.374 4.458
144 HG LEU 20 HG LEU 20 18.449 8.795 4.389
145 HD11 LEU 20 HD11 LEU 20 17.070 10.114 6.226
146 HD12 LEU 20 HD12 LEU 20 15.828 8.920 5.842
147 HD13 LEU 20 HD13 LEU 20 16.456 9.979 4.578
148 HD21 LEU 20 HD21 LEU 20 17.958 7.714 7.181
149 HD22 LEU 20 HD22 LEU 20 19.051 9.037 6.775
150 HD23 LEU 20 HD23 LEU 20 19.387 7.406 6.195
151 H SER 21 HN SER 21 16.167 9.638 2.326
152 HA SER 21 HA SER 21 18.712 9.469 0.904
153 HB2 SER 21 HB2 SER 21 17.132 8.481 -0.686
154 HB3 SER 21 HB1 SER 21 16.078 9.882 -0.531
155 HG SER 21 HG SER 21 18.412 9.555 -1.942
156 H ARG 22 HN ARG 22 19.600 11.464 0.444
157 HA ARG 22 HA ARG 22 17.992 13.853 1.053
158 HB2 ARG 22 HB2 ARG 22 20.465 12.928 2.451
159 HB3 ARG 22 HB1 ARG 22 20.253 14.659 2.183
160 HG2 ARG 22 HG2 ARG 22 17.942 13.100 3.273
161 HG3 ARG 22 HG1 ARG 22 19.274 13.490 4.360
162 HD2 ARG 22 HD2 ARG 22 19.050 15.876 3.786
163 HD3 ARG 22 HD1 ARG 22 17.727 15.495 2.689
164 HE ARG 22 HE ARG 22 17.088 14.465 5.228
165 HH11 ARG 22 HH11 ARG 22 15.668 15.628 6.565
166 HH12 ARG 22 HH12 ARG 22 15.422 17.321 6.293
167 HH21 ARG 22 HH21 ARG 22 17.598 17.474 3.597
168 HH22 ARG 22 HH22 ARG 22 16.516 18.366 4.613
Start of MODEL 7
1 H GLN 1 HN GLN 1 0.498 -3.276 -6.369
2 HA GLN 1 HA GLN 1 0.021 -4.019 -3.767
3 HB2 GLN 1 HB2 GLN 1 2.776 -4.684 -4.636
4 HB3 GLN 1 HB1 GLN 1 2.624 -3.882 -3.072
5 HG2 GLN 1 HG2 GLN 1 0.974 -6.297 -3.846
6 HG3 GLN 1 HG1 GLN 1 2.516 -6.421 -3.001
7 HE21 GLN 1 HE21 GLN 1 2.616 -5.661 -0.772
8 HE22 GLN 1 HE22 GLN 1 1.205 -5.325 0.110
9 H TRP 2 HN TRP 2 -0.816 -1.982 -3.598
10 HA TRP 2 HA TRP 2 0.557 0.389 -4.365
11 HB2 TRP 2 HB2 TRP 2 -1.884 0.309 -4.166
12 HB3 TRP 2 HB1 TRP 2 -1.743 0.005 -2.434
13 HD1 TRP 2 HD1 TRP 2 -1.217 2.736 -5.056
14 HE1 TRP 2 HE1 TRP 2 -1.060 5.012 -3.854
15 HE3 TRP 2 HE3 TRP 2 -1.156 1.166 -0.197
16 HZ2 TRP 2 HZ2 TRP 2 -0.926 6.032 -1.183
17 HZ3 TRP 2 HZ3 TRP 2 -1.016 2.808 1.654
18 HH2 TRP 2 HH2 TRP 2 -0.899 5.236 1.167
19 H CYS 3 HN CYS 3 2.057 1.538 -3.337
20 HA CYS 3 HA CYS 3 2.542 0.988 -0.472
21 HB2 CYS 3 HB2 CYS 3 4.562 1.517 -2.666
22 HB3 CYS 3 HB1 CYS 3 4.967 1.422 -0.946
23 H GLN 4 HN GLN 4 2.477 2.674 0.826
24 HA GLN 4 HA GLN 4 1.551 5.178 0.111
25 HB2 GLN 4 HB2 GLN 4 2.633 5.861 2.385
26 HB3 GLN 4 HB1 GLN 4 1.355 4.653 2.389
27 HG2 GLN 4 HG2 GLN 4 4.225 3.803 2.134
28 HG3 GLN 4 HG1 GLN 4 3.572 4.206 3.718
29 HE21 GLN 4 HE21 GLN 4 4.410 1.513 2.688
30 HE22 GLN 4 HE22 GLN 4 3.033 0.529 2.825
31 HA PRO 5 HA PRO 5 5.032 7.303 -1.565
32 HB2 PRO 5 HB2 PRO 5 4.706 9.839 -0.526
33 HB3 PRO 5 HB1 PRO 5 3.776 9.199 -1.894
34 HG2 PRO 5 HG2 PRO 5 3.010 9.432 0.973
35 HG3 PRO 5 HG1 PRO 5 2.037 9.702 -0.484
36 HD2 PRO 5 HD2 PRO 5 1.831 7.430 0.981
37 HD3 PRO 5 HD1 PRO 5 1.597 7.432 -0.773
38 H GLY 6 HN GLY 6 7.152 7.833 -1.029
39 HA2 GLY 6 HA2 GLY 6 8.935 8.431 0.404
40 HA3 GLY 6 HA1 GLY 6 7.854 8.259 1.785
41 H TYR 7 HN TYR 7 7.078 5.661 0.095
42 HA TYR 7 HA TYR 7 9.109 3.949 1.393
43 HB2 TYR 7 HB2 TYR 7 6.209 3.468 0.704
44 HB3 TYR 7 HB1 TYR 7 7.312 2.172 1.134
45 HD1 TYR 7 HD1 TYR 7 6.226 5.546 2.366
46 HD2 TYR 7 HD2 TYR 7 7.515 1.576 3.379
47 HE1 TYR 7 HE1 TYR 7 5.887 6.048 4.770
48 HE2 TYR 7 HE2 TYR 7 7.187 2.082 5.782
49 HH TYR 7 HH TYR 7 5.558 4.946 6.849
50 H ALA 8 HN ALA 8 10.014 2.246 0.204
51 HA ALA 8 HA ALA 8 9.514 2.319 -2.713
52 HB1 ALA 8 HB1 ALA 8 12.193 1.949 -1.358
53 HB2 ALA 8 HB2 ALA 8 11.647 3.441 -2.121
54 HB3 ALA 8 HB3 ALA 8 11.894 1.992 -3.095
55 H TYR 9 HN TYR 9 9.273 0.421 -3.712
56 HA TYR 9 HA TYR 9 8.731 -1.930 -2.283
57 HB2 TYR 9 HB2 TYR 9 7.826 -1.532 -4.515
58 HB3 TYR 9 HB1 TYR 9 9.450 -1.613 -5.199
59 HD1 TYR 9 HD1 TYR 9 6.926 -3.572 -3.272
60 HD2 TYR 9 HD2 TYR 9 10.450 -3.710 -5.737
61 HE1 TYR 9 HE1 TYR 9 6.734 -6.039 -3.413
62 HE2 TYR 9 HE2 TYR 9 10.248 -6.175 -5.876
63 HH TYR 9 HH TYR 9 7.487 -7.884 -4.450
64 H ASN 10 HN ASN 10 9.937 -3.542 -1.556
65 HA ASN 10 HA ASN 10 12.783 -3.600 -2.317
66 HB2 ASN 10 HB2 ASN 10 11.488 -3.639 0.264
67 HB3 ASN 10 HB1 ASN 10 12.491 -5.070 0.031
68 HD21 ASN 10 HD21 ASN 10 14.652 -4.790 0.494
69 HD22 ASN 10 HD22 ASN 10 15.463 -3.303 0.487
70 HA PRO 11 HA PRO 11 11.276 -7.580 -3.888
71 HB2 PRO 11 HB2 PRO 11 13.556 -8.316 -5.227
72 HB3 PRO 11 HB1 PRO 11 12.331 -7.225 -5.891
73 HG2 PRO 11 HG2 PRO 11 14.991 -6.615 -4.767
74 HG3 PRO 11 HG1 PRO 11 14.064 -5.777 -6.023
75 HD2 PRO 11 HD2 PRO 11 14.322 -4.933 -3.382
76 HD3 PRO 11 HD1 PRO 11 13.070 -4.381 -4.510
77 H VAL 12 HN VAL 12 14.299 -7.027 -2.196
78 HA VAL 12 HA VAL 12 14.913 -9.718 -1.553
79 HB VAL 12 HB VAL 12 15.600 -7.107 -0.189
80 HG11 VAL 12 HG11 VAL 12 17.474 -8.770 0.729
81 HG12 VAL 12 HG12 VAL 12 16.181 -9.952 0.523
82 HG13 VAL 12 HG13 VAL 12 15.942 -8.559 1.577
83 HG21 VAL 12 HG21 VAL 12 17.612 -7.215 -1.387
84 HG22 VAL 12 HG22 VAL 12 16.456 -7.834 -2.564
85 HG23 VAL 12 HG23 VAL 12 17.472 -8.952 -1.655
86 H LEU 13 HN LEU 13 13.084 -7.196 0.159
87 HA LEU 13 HA LEU 13 12.375 -9.027 2.305
88 HB2 LEU 13 HB2 LEU 13 11.443 -6.195 1.763
89 HB3 LEU 13 HB1 LEU 13 11.186 -7.106 3.248
90 HG LEU 13 HG LEU 13 13.890 -6.353 2.103
91 HD11 LEU 13 HD11 LEU 13 12.024 -5.042 3.980
92 HD12 LEU 13 HD12 LEU 13 13.336 -4.348 3.025
93 HD13 LEU 13 HD13 LEU 13 13.688 -5.158 4.552
94 HD21 LEU 13 HD21 LEU 13 14.446 -7.057 4.603
95 HD22 LEU 13 HD22 LEU 13 14.348 -8.273 3.332
96 HD23 LEU 13 HD23 LEU 13 12.985 -8.027 4.422
97 H GLY 14 HN GLY 14 11.087 -7.950 -0.705
98 HA2 GLY 14 HA2 GLY 14 9.304 -8.866 -1.888
99 HA3 GLY 14 HA1 GLY 14 8.834 -9.755 -0.446
100 H ILE 15 HN ILE 15 9.256 -6.640 0.556
101 HA ILE 15 HA ILE 15 6.592 -5.730 -0.264
102 HB ILE 15 HB ILE 15 5.683 -5.554 1.848
103 HG12 ILE 15 HG12 ILE 15 7.415 -4.280 2.979
104 HG13 ILE 15 HG11 ILE 15 7.044 -5.688 3.959
105 HG21 ILE 15 HG21 ILE 15 6.013 -7.684 2.978
106 HG22 ILE 15 HG22 ILE 15 7.560 -7.909 2.161
107 HG23 ILE 15 HG23 ILE 15 6.062 -7.932 1.232
108 HD11 ILE 15 HD11 ILE 15 9.518 -5.054 2.437
109 HD12 ILE 15 HD12 ILE 15 9.021 -6.743 2.472
110 HD13 ILE 15 HD13 ILE 15 9.323 -5.884 3.977
111 H CYS 16 HN CYS 16 6.209 -3.446 0.818
112 HA CYS 16 HA CYS 16 8.510 -1.854 0.005
113 HB2 CYS 16 HB2 CYS 16 5.678 -1.106 0.747
114 HB3 CYS 16 HB1 CYS 16 6.921 0.066 0.327
115 H THR 17 HN THR 17 9.703 -0.548 1.272
116 HA THR 17 HA THR 17 9.080 -0.476 4.161
117 HB THR 17 HB THR 17 11.477 -0.697 4.638
118 HG1 THR 17 HG1 THR 17 11.572 -0.693 1.838
119 HG21 THR 17 HG21 THR 17 11.304 -3.041 2.950
120 HG22 THR 17 HG22 THR 17 9.749 -2.713 3.713
121 HG23 THR 17 HG23 THR 17 11.191 -2.927 4.707
122 H ILE 18 HN ILE 18 9.966 1.377 5.275
123 HA ILE 18 HA ILE 18 9.677 3.783 3.789
124 HB ILE 18 HB ILE 18 9.287 3.344 6.326
125 HG12 ILE 18 HG12 ILE 18 10.798 5.856 5.537
126 HG13 ILE 18 HG11 ILE 18 9.109 5.569 5.120
127 HG21 ILE 18 HG21 ILE 18 12.140 4.305 6.511
128 HG22 ILE 18 HG22 ILE 18 11.769 2.580 6.490
129 HG23 ILE 18 HG23 ILE 18 11.127 3.604 7.774
130 HD11 ILE 18 HD11 ILE 18 10.250 5.655 7.925
131 HD12 ILE 18 HD12 ILE 18 8.568 5.310 7.521
132 HD13 ILE 18 HD13 ILE 18 9.251 6.898 7.173
133 H THR 19 HN THR 19 11.224 5.346 3.243
134 HA THR 19 HA THR 19 14.039 4.449 3.318
135 HB THR 19 HB THR 19 14.347 5.362 1.063
136 HG1 THR 19 HG1 THR 19 12.289 5.822 -0.057
137 HG21 THR 19 HG21 THR 19 13.567 3.480 0.005
138 HG22 THR 19 HG22 THR 19 11.955 3.625 0.707
139 HG23 THR 19 HG23 THR 19 13.281 2.970 1.669
140 H LEU 20 HN LEU 20 15.595 6.129 3.338
141 HA LEU 20 HA LEU 20 14.567 8.827 3.925
142 HB2 LEU 20 HB2 LEU 20 15.756 7.020 5.800
143 HB3 LEU 20 HB1 LEU 20 16.874 8.356 5.531
144 HG LEU 20 HG LEU 20 15.319 8.862 7.376
145 HD11 LEU 20 HD11 LEU 20 15.367 11.020 6.743
146 HD12 LEU 20 HD12 LEU 20 14.159 10.732 5.489
147 HD13 LEU 20 HD13 LEU 20 15.870 10.477 5.143
148 HD21 LEU 20 HD21 LEU 20 13.070 8.541 7.255
149 HD22 LEU 20 HD22 LEU 20 13.462 7.494 5.892
150 HD23 LEU 20 HD23 LEU 20 12.975 9.164 5.607
151 H SER 21 HN SER 21 16.977 6.745 2.599
152 HA SER 21 HA SER 21 18.406 9.100 1.520
153 HB2 SER 21 HB2 SER 21 19.606 6.467 2.402
154 HB3 SER 21 HB1 SER 21 20.484 7.756 1.586
155 HG SER 21 HG SER 21 20.393 7.597 4.051
156 H ARG 22 HN ARG 22 19.173 8.917 -0.605
157 HA ARG 22 HA ARG 22 19.337 8.066 -2.750
158 HB2 ARG 22 HB2 ARG 22 19.489 5.792 -1.333
159 HB3 ARG 22 HB1 ARG 22 17.917 5.536 -2.088
160 HG2 ARG 22 HG2 ARG 22 19.323 4.637 -3.705
161 HG3 ARG 22 HG1 ARG 22 19.189 6.300 -4.277
162 HD2 ARG 22 HD2 ARG 22 21.539 5.582 -4.269
163 HD3 ARG 22 HD1 ARG 22 21.289 6.870 -3.097
164 HE ARG 22 HE ARG 22 21.752 5.349 -1.393
165 HH11 ARG 22 HH11 ARG 22 22.437 3.318 -0.641
166 HH12 ARG 22 HH12 ARG 22 22.427 1.955 -1.709
167 HH21 ARG 22 HH21 ARG 22 21.214 3.751 -4.416
168 HH22 ARG 22 HH22 ARG 22 21.734 2.200 -3.847
Start of MODEL 8
1 H GLN 1 HN GLN 1 0.353 -5.520 -4.860
2 HA GLN 1 HA GLN 1 0.437 -5.266 -2.446
3 HB2 GLN 1 HB2 GLN 1 2.688 -6.402 -2.392
4 HB3 GLN 1 HB1 GLN 1 3.407 -4.864 -2.860
5 HG2 GLN 1 HG2 GLN 1 3.524 -5.117 -0.433
6 HG3 GLN 1 HG1 GLN 1 2.419 -3.808 -0.839
7 HE21 GLN 1 HE21 GLN 1 0.626 -3.885 0.514
8 HE22 GLN 1 HE22 GLN 1 -0.146 -5.306 1.029
9 H TRP 2 HN TRP 2 0.361 -3.269 -1.346
10 HA TRP 2 HA TRP 2 0.747 -0.929 -3.108
11 HB2 TRP 2 HB2 TRP 2 -1.572 -1.315 -2.408
12 HB3 TRP 2 HB1 TRP 2 -1.075 -1.279 -0.716
13 HD1 TRP 2 HD1 TRP 2 -1.544 0.969 -3.759
14 HE1 TRP 2 HE1 TRP 2 -1.527 3.428 -2.988
15 HE3 TRP 2 HE3 TRP 2 -0.214 0.351 1.132
16 HZ2 TRP 2 HZ2 TRP 2 -1.014 4.936 -0.611
17 HZ3 TRP 2 HZ3 TRP 2 0.032 2.314 2.625
18 HH2 TRP 2 HH2 TRP 2 -0.365 4.602 1.761
19 H CYS 3 HN CYS 3 2.184 0.584 -2.566
20 HA CYS 3 HA CYS 3 3.347 0.507 0.157
21 HB2 CYS 3 HB2 CYS 3 4.626 1.384 -2.443
22 HB3 CYS 3 HB1 CYS 3 5.387 1.467 -0.856
23 H GLN 4 HN GLN 4 3.781 2.467 1.181
24 HA GLN 4 HA GLN 4 1.949 4.591 0.635
25 HB2 GLN 4 HB2 GLN 4 3.832 5.574 2.439
26 HB3 GLN 4 HB1 GLN 4 2.310 4.791 2.856
27 HG2 GLN 4 HG2 GLN 4 4.885 3.279 2.359
28 HG3 GLN 4 HG1 GLN 4 4.363 3.804 3.957
29 HE21 GLN 4 HE21 GLN 4 4.341 1.134 1.993
30 HE22 GLN 4 HE22 GLN 4 2.944 0.367 2.578
31 HA PRO 5 HA PRO 5 4.404 7.180 -1.927
32 HB2 PRO 5 HB2 PRO 5 4.117 9.670 -0.765
33 HB3 PRO 5 HB1 PRO 5 2.882 8.896 -1.777
34 HG2 PRO 5 HG2 PRO 5 3.062 9.076 1.188
35 HG3 PRO 5 HG1 PRO 5 1.643 9.184 0.131
36 HD2 PRO 5 HD2 PRO 5 2.233 6.933 1.534
37 HD3 PRO 5 HD1 PRO 5 1.432 6.873 -0.048
38 H GLY 6 HN GLY 6 6.546 7.721 -2.095
39 HA2 GLY 6 HA2 GLY 6 8.649 8.511 -1.385
40 HA3 GLY 6 HA1 GLY 6 8.056 8.540 0.273
41 H TYR 7 HN TYR 7 6.974 5.700 -0.735
42 HA TYR 7 HA TYR 7 9.412 4.234 0.080
43 HB2 TYR 7 HB2 TYR 7 6.485 3.670 0.544
44 HB3 TYR 7 HB1 TYR 7 7.710 2.422 0.716
45 HD1 TYR 7 HD1 TYR 7 7.001 5.948 1.795
46 HD2 TYR 7 HD2 TYR 7 8.761 2.158 2.781
47 HE1 TYR 7 HE1 TYR 7 7.542 6.785 4.067
48 HE2 TYR 7 HE2 TYR 7 9.313 2.994 5.042
49 HH TYR 7 HH TYR 7 8.600 4.702 6.590
50 H ALA 8 HN ALA 8 10.037 2.442 -1.084
51 HA ALA 8 HA ALA 8 8.670 2.046 -3.679
52 HB1 ALA 8 HB1 ALA 8 10.953 1.164 -4.399
53 HB2 ALA 8 HB2 ALA 8 11.580 1.854 -2.903
54 HB3 ALA 8 HB3 ALA 8 10.843 2.901 -4.116
55 H TYR 9 HN TYR 9 7.962 0.052 -4.184
56 HA TYR 9 HA TYR 9 7.776 -1.954 -2.206
57 HB2 TYR 9 HB2 TYR 9 6.136 -1.775 -4.003
58 HB3 TYR 9 HB1 TYR 9 7.377 -2.154 -5.198
59 HD1 TYR 9 HD1 TYR 9 5.735 -3.501 -2.120
60 HD2 TYR 9 HD2 TYR 9 7.863 -4.402 -5.745
61 HE1 TYR 9 HE1 TYR 9 5.343 -5.920 -1.750
62 HE2 TYR 9 HE2 TYR 9 7.465 -6.819 -5.373
63 HH TYR 9 HH TYR 9 5.642 -8.207 -4.067
64 H ASN 10 HN ASN 10 9.076 -3.584 -1.660
65 HA ASN 10 HA ASN 10 11.441 -4.086 -3.345
66 HB2 ASN 10 HB2 ASN 10 11.086 -3.809 -0.453
67 HB3 ASN 10 HB1 ASN 10 12.042 -5.208 -0.938
68 HD21 ASN 10 HD21 ASN 10 14.176 -4.833 -1.516
69 HD22 ASN 10 HD22 ASN 10 14.833 -3.303 -1.820
70 HA PRO 11 HA PRO 11 9.240 -8.046 -3.644
71 HB2 PRO 11 HB2 PRO 11 10.726 -9.130 -5.669
72 HB3 PRO 11 HB1 PRO 11 9.411 -7.974 -5.934
73 HG2 PRO 11 HG2 PRO 11 12.336 -7.559 -6.013
74 HG3 PRO 11 HG1 PRO 11 11.048 -6.760 -6.929
75 HD2 PRO 11 HD2 PRO 11 12.363 -5.677 -4.724
76 HD3 PRO 11 HD1 PRO 11 10.807 -5.112 -5.359
77 H VAL 12 HN VAL 12 12.718 -7.603 -3.438
78 HA VAL 12 HA VAL 12 13.422 -10.248 -2.714
79 HB VAL 12 HB VAL 12 14.756 -7.586 -2.187
80 HG11 VAL 12 HG11 VAL 12 16.772 -9.256 -1.865
81 HG12 VAL 12 HG12 VAL 12 15.499 -10.391 -1.419
82 HG13 VAL 12 HG13 VAL 12 15.704 -8.895 -0.510
83 HG21 VAL 12 HG21 VAL 12 15.697 -9.792 -4.007
84 HG22 VAL 12 HG22 VAL 12 16.056 -8.067 -4.081
85 HG23 VAL 12 HG23 VAL 12 14.464 -8.658 -4.558
86 H LEU 13 HN LEU 13 12.628 -7.365 -0.785
87 HA LEU 13 HA LEU 13 12.880 -8.834 1.706
88 HB2 LEU 13 HB2 LEU 13 11.805 -6.047 1.207
89 HB3 LEU 13 HB1 LEU 13 12.248 -6.733 2.767
90 HG LEU 13 HG LEU 13 14.148 -6.308 0.443
91 HD11 LEU 13 HD11 LEU 13 13.286 -4.630 2.698
92 HD12 LEU 13 HD12 LEU 13 14.123 -4.178 1.214
93 HD13 LEU 13 HD13 LEU 13 15.037 -4.815 2.580
94 HD21 LEU 13 HD21 LEU 13 15.101 -8.087 1.609
95 HD22 LEU 13 HD22 LEU 13 14.387 -7.599 3.144
96 HD23 LEU 13 HD23 LEU 13 15.773 -6.722 2.498
97 H GLY 14 HN GLY 14 10.417 -8.077 -0.590
98 HA2 GLY 14 HA2 GLY 14 8.298 -9.022 -0.752
99 HA3 GLY 14 HA1 GLY 14 8.501 -9.696 0.857
100 H ILE 15 HN ILE 15 9.268 -6.459 1.071
101 HA ILE 15 HA ILE 15 6.481 -5.612 1.470
102 HB ILE 15 HB ILE 15 6.717 -4.995 3.680
103 HG12 ILE 15 HG12 ILE 15 8.697 -3.598 3.552
104 HG13 ILE 15 HG11 ILE 15 8.953 -4.784 4.822
105 HG21 ILE 15 HG21 ILE 15 7.683 -6.882 4.873
106 HG22 ILE 15 HG22 ILE 15 8.646 -7.320 3.461
107 HG23 ILE 15 HG23 ILE 15 6.889 -7.464 3.410
108 HD11 ILE 15 HD11 ILE 15 10.951 -5.037 3.728
109 HD12 ILE 15 HD12 ILE 15 10.291 -4.547 2.171
110 HD13 ILE 15 HD13 ILE 15 9.998 -6.174 2.783
111 H CYS 16 HN CYS 16 6.587 -3.157 2.249
112 HA CYS 16 HA CYS 16 8.004 -1.775 0.101
113 HB2 CYS 16 HB2 CYS 16 6.104 -0.678 2.192
114 HB3 CYS 16 HB1 CYS 16 6.653 0.151 0.736
115 H THR 17 HN THR 17 9.715 -0.409 0.388
116 HA THR 17 HA THR 17 10.606 0.105 3.162
117 HB THR 17 HB THR 17 12.930 -0.186 2.415
118 HG1 THR 17 HG1 THR 17 13.352 -0.865 0.366
119 HG21 THR 17 HG21 THR 17 12.748 -2.355 2.981
120 HG22 THR 17 HG22 THR 17 11.950 -2.738 1.455
121 HG23 THR 17 HG23 THR 17 11.000 -2.181 2.832
122 H ILE 18 HN ILE 18 11.913 1.992 3.446
123 HA ILE 18 HA ILE 18 10.986 4.193 1.825
124 HB ILE 18 HB ILE 18 11.396 4.093 4.408
125 HG12 ILE 18 HG12 ILE 18 12.425 6.488 2.854
126 HG13 ILE 18 HG11 ILE 18 10.715 6.117 3.057
127 HG21 ILE 18 HG21 ILE 18 13.568 4.606 5.169
128 HG22 ILE 18 HG22 ILE 18 14.110 5.104 3.566
129 HG23 ILE 18 HG23 ILE 18 13.846 3.396 3.916
130 HD11 ILE 18 HD11 ILE 18 11.416 7.731 4.756
131 HD12 ILE 18 HD12 ILE 18 12.700 6.643 5.285
132 HD13 ILE 18 HD13 ILE 18 11.012 6.193 5.521
133 H THR 19 HN THR 19 12.179 5.492 0.479
134 HA THR 19 HA THR 19 14.801 4.422 -0.334
135 HB THR 19 HB THR 19 14.393 5.605 -2.459
136 HG1 THR 19 HG1 THR 19 12.567 6.731 -2.756
137 HG21 THR 19 HG21 THR 19 11.955 3.963 -1.791
138 HG22 THR 19 HG22 THR 19 13.552 3.227 -1.925
139 HG23 THR 19 HG23 THR 19 12.837 4.040 -3.316
140 H LEU 20 HN LEU 20 13.767 6.575 1.685
141 HA LEU 20 HA LEU 20 15.615 8.733 0.894
142 HB2 LEU 20 HB2 LEU 20 13.306 9.458 1.293
143 HB3 LEU 20 HB1 LEU 20 13.346 8.744 2.901
144 HG LEU 20 HG LEU 20 15.168 10.291 3.547
145 HD11 LEU 20 HD11 LEU 20 16.390 10.869 1.669
146 HD12 LEU 20 HD12 LEU 20 15.342 12.283 1.778
147 HD13 LEU 20 HD13 LEU 20 14.960 10.986 0.645
148 HD21 LEU 20 HD21 LEU 20 13.790 12.448 3.261
149 HD22 LEU 20 HD22 LEU 20 13.002 11.098 4.079
150 HD23 LEU 20 HD23 LEU 20 12.627 11.446 2.391
151 H SER 21 HN SER 21 17.504 8.854 1.907
152 HA SER 21 HA SER 21 17.722 8.138 4.727
153 HB2 SER 21 HB2 SER 21 18.187 6.014 3.593
154 HB3 SER 21 HB1 SER 21 19.401 6.803 2.589
155 HG SER 21 HG SER 21 20.255 5.730 4.470
156 H ARG 22 HN ARG 22 19.384 9.202 5.772
157 HA ARG 22 HA ARG 22 21.412 10.628 4.263
158 HB2 ARG 22 HB2 ARG 22 19.369 12.112 4.204
159 HB3 ARG 22 HB1 ARG 22 19.484 12.223 5.961
160 HG2 ARG 22 HG2 ARG 22 21.843 13.045 5.692
161 HG3 ARG 22 HG1 ARG 22 21.579 13.086 3.948
162 HD2 ARG 22 HD2 ARG 22 21.154 15.303 4.779
163 HD3 ARG 22 HD1 ARG 22 19.597 14.591 4.372
164 HE ARG 22 HE ARG 22 19.047 14.605 6.638
165 HH11 ARG 22 HH11 ARG 22 19.442 15.176 8.800
166 HH12 ARG 22 HH12 ARG 22 21.041 15.625 9.293
167 HH21 ARG 22 HH21 ARG 22 22.418 15.206 6.139
168 HH22 ARG 22 HH22 ARG 22 22.725 15.643 7.787
Start of MODEL 9
1 H GLN 1 HN GLN 1 2.380 -5.561 -5.842
2 HA GLN 1 HA GLN 1 1.063 -5.051 -4.021
3 HB2 GLN 1 HB2 GLN 1 3.021 -6.330 -2.880
4 HB3 GLN 1 HB1 GLN 1 3.549 -4.732 -2.355
5 HG2 GLN 1 HG2 GLN 1 2.152 -5.651 -0.611
6 HG3 GLN 1 HG1 GLN 1 1.246 -4.365 -1.403
7 HE21 GLN 1 HE21 GLN 1 1.750 -7.919 -1.875
8 HE22 GLN 1 HE22 GLN 1 0.116 -8.246 -2.193
9 H TRP 2 HN TRP 2 0.145 -3.210 -3.253
10 HA TRP 2 HA TRP 2 1.124 -0.707 -4.169
11 HB2 TRP 2 HB2 TRP 2 -1.273 -1.157 -3.858
12 HB3 TRP 2 HB1 TRP 2 -1.022 -1.303 -2.117
13 HD1 TRP 2 HD1 TRP 2 -1.061 1.260 -4.945
14 HE1 TRP 2 HE1 TRP 2 -1.175 3.623 -3.922
15 HE3 TRP 2 HE3 TRP 2 -0.457 0.113 -0.005
16 HZ2 TRP 2 HZ2 TRP 2 -1.027 4.864 -1.347
17 HZ3 TRP 2 HZ3 TRP 2 -0.448 1.903 1.708
18 HH2 TRP 2 HH2 TRP 2 -0.730 4.273 1.045
19 H CYS 3 HN CYS 3 2.361 0.796 -3.218
20 HA CYS 3 HA CYS 3 3.152 0.367 -0.396
21 HB2 CYS 3 HB2 CYS 3 4.792 1.504 -2.673
22 HB3 CYS 3 HB1 CYS 3 5.311 1.430 -0.990
23 H GLN 4 HN GLN 4 3.458 2.203 0.887
24 HA GLN 4 HA GLN 4 1.708 4.397 0.320
25 HB2 GLN 4 HB2 GLN 4 3.291 5.147 2.484
26 HB3 GLN 4 HB1 GLN 4 1.731 4.336 2.579
27 HG2 GLN 4 HG2 GLN 4 4.361 2.864 2.299
28 HG3 GLN 4 HG1 GLN 4 3.610 3.212 3.854
29 HE21 GLN 4 HE21 GLN 4 3.881 0.779 1.611
30 HE22 GLN 4 HE22 GLN 4 2.418 -0.031 1.901
31 HA PRO 5 HA PRO 5 4.531 7.207 -1.537
32 HB2 PRO 5 HB2 PRO 5 4.015 9.572 -0.217
33 HB3 PRO 5 HB1 PRO 5 2.964 8.891 -1.473
34 HG2 PRO 5 HG2 PRO 5 2.681 8.791 1.489
35 HG3 PRO 5 HG1 PRO 5 1.441 9.004 0.242
36 HD2 PRO 5 HD2 PRO 5 1.842 6.626 1.496
37 HD3 PRO 5 HD1 PRO 5 1.287 6.721 -0.186
38 H GLY 6 HN GLY 6 6.663 7.737 -1.289
39 HA2 GLY 6 HA2 GLY 6 8.606 8.460 -0.165
40 HA3 GLY 6 HA1 GLY 6 7.740 8.343 1.365
41 H TYR 7 HN TYR 7 6.870 5.612 -0.045
42 HA TYR 7 HA TYR 7 9.148 4.066 1.032
43 HB2 TYR 7 HB2 TYR 7 6.191 3.478 0.929
44 HB3 TYR 7 HB1 TYR 7 7.384 2.216 1.210
45 HD1 TYR 7 HD1 TYR 7 6.517 5.665 2.417
46 HD2 TYR 7 HD2 TYR 7 7.997 1.762 3.417
47 HE1 TYR 7 HE1 TYR 7 6.648 6.324 4.805
48 HE2 TYR 7 HE2 TYR 7 8.138 2.420 5.799
49 HH TYR 7 HH TYR 7 6.956 5.581 6.901
50 H ALA 8 HN ALA 8 10.013 2.423 -0.185
51 HA ALA 8 HA ALA 8 9.103 2.277 -2.995
52 HB1 ALA 8 HB1 ALA 8 11.402 3.202 -2.594
53 HB2 ALA 8 HB2 ALA 8 11.375 1.761 -3.608
54 HB3 ALA 8 HB3 ALA 8 11.854 1.637 -1.915
55 H TYR 9 HN TYR 9 8.519 0.359 -3.818
56 HA TYR 9 HA TYR 9 8.006 -1.845 -2.132
57 HB2 TYR 9 HB2 TYR 9 6.712 -1.471 -4.161
58 HB3 TYR 9 HB1 TYR 9 8.153 -1.717 -5.150
59 HD1 TYR 9 HD1 TYR 9 6.016 -3.397 -2.578
60 HD2 TYR 9 HD2 TYR 9 8.767 -3.890 -5.846
61 HE1 TYR 9 HE1 TYR 9 5.606 -5.841 -2.555
62 HE2 TYR 9 HE2 TYR 9 8.351 -6.332 -5.820
63 HH TYR 9 HH TYR 9 6.916 -7.947 -5.050
64 H ASN 10 HN ASN 10 9.199 -3.531 -1.537
65 HA ASN 10 HA ASN 10 11.826 -3.894 -2.823
66 HB2 ASN 10 HB2 ASN 10 10.978 -3.875 -0.022
67 HB3 ASN 10 HB1 ASN 10 12.008 -5.237 -0.461
68 HD21 ASN 10 HD21 ASN 10 14.204 -4.836 -0.571
69 HD22 ASN 10 HD22 ASN 10 14.900 -3.297 -0.637
70 HA PRO 11 HA PRO 11 9.728 -7.785 -3.857
71 HB2 PRO 11 HB2 PRO 11 11.580 -8.719 -5.648
72 HB3 PRO 11 HB1 PRO 11 10.324 -7.543 -6.061
73 HG2 PRO 11 HG2 PRO 11 13.207 -7.132 -5.582
74 HG3 PRO 11 HG1 PRO 11 12.089 -6.245 -6.631
75 HD2 PRO 11 HD2 PRO 11 12.995 -5.382 -4.137
76 HD3 PRO 11 HD1 PRO 11 11.581 -4.737 -4.991
77 H VAL 12 HN VAL 12 13.115 -7.428 -2.985
78 HA VAL 12 HA VAL 12 13.664 -10.136 -2.368
79 HB VAL 12 HB VAL 12 14.876 -7.553 -1.366
80 HG11 VAL 12 HG11 VAL 12 15.537 -10.439 -0.797
81 HG12 VAL 12 HG12 VAL 12 15.419 -9.092 0.334
82 HG13 VAL 12 HG13 VAL 12 16.794 -9.203 -0.766
83 HG21 VAL 12 HG21 VAL 12 15.074 -8.256 -3.820
84 HG22 VAL 12 HG22 VAL 12 16.011 -9.636 -3.248
85 HG23 VAL 12 HG23 VAL 12 16.596 -7.995 -2.969
86 H LEU 13 HN LEU 13 12.554 -7.410 -0.369
87 HA LEU 13 HA LEU 13 12.334 -9.069 1.996
88 HB2 LEU 13 HB2 LEU 13 11.349 -6.249 1.500
89 HB3 LEU 13 HB1 LEU 13 11.457 -7.051 3.063
90 HG LEU 13 HG LEU 13 13.803 -6.469 1.230
91 HD11 LEU 13 HD11 LEU 13 14.334 -5.046 3.416
92 HD12 LEU 13 HD12 LEU 13 12.577 -5.053 3.561
93 HD13 LEU 13 HD13 LEU 13 13.340 -4.386 2.118
94 HD21 LEU 13 HD21 LEU 13 14.526 -8.317 2.442
95 HD22 LEU 13 HD22 LEU 13 13.470 -7.964 3.809
96 HD23 LEU 13 HD23 LEU 13 14.944 -7.027 3.569
97 H GLY 14 HN GLY 14 10.304 -8.076 -0.633
98 HA2 GLY 14 HA2 GLY 14 8.266 -9.019 -1.256
99 HA3 GLY 14 HA1 GLY 14 8.181 -9.818 0.305
100 H ILE 15 HN ILE 15 8.861 -6.617 0.934
101 HA ILE 15 HA ILE 15 6.049 -5.771 0.836
102 HB ILE 15 HB ILE 15 5.820 -5.327 3.095
103 HG12 ILE 15 HG12 ILE 15 7.823 -4.033 3.526
104 HG13 ILE 15 HG11 ILE 15 7.767 -5.344 4.698
105 HG21 ILE 15 HG21 ILE 15 6.315 -7.364 4.236
106 HG22 ILE 15 HG22 ILE 15 7.695 -7.696 3.190
107 HG23 ILE 15 HG23 ILE 15 6.054 -7.793 2.546
108 HD11 ILE 15 HD11 ILE 15 9.954 -5.541 4.010
109 HD12 ILE 15 HD12 ILE 15 9.615 -4.965 2.381
110 HD13 ILE 15 HD13 ILE 15 9.186 -6.612 2.842
111 H CYS 16 HN CYS 16 5.974 -3.401 1.840
112 HA CYS 16 HA CYS 16 7.819 -1.857 0.185
113 HB2 CYS 16 HB2 CYS 16 5.522 -0.878 1.900
114 HB3 CYS 16 HB1 CYS 16 6.334 0.005 0.606
115 H THR 17 HN THR 17 9.441 -0.581 0.960
116 HA THR 17 HA THR 17 9.671 -0.285 3.898
117 HB THR 17 HB THR 17 12.104 -0.568 3.679
118 HG1 THR 17 HG1 THR 17 13.016 -0.811 1.777
119 HG21 THR 17 HG21 THR 17 11.827 -2.781 3.985
120 HG22 THR 17 HG22 THR 17 11.331 -3.015 2.309
121 HG23 THR 17 HG23 THR 17 10.140 -2.550 3.524
122 H ILE 18 HN ILE 18 10.811 1.569 4.627
123 HA ILE 18 HA ILE 18 10.254 3.913 3.091
124 HB ILE 18 HB ILE 18 10.318 3.603 5.677
125 HG12 ILE 18 HG12 ILE 18 11.671 6.040 4.475
126 HG13 ILE 18 HG11 ILE 18 9.931 5.764 4.429
127 HG21 ILE 18 HG21 ILE 18 12.381 3.889 6.762
128 HG22 ILE 18 HG22 ILE 18 13.161 4.527 5.314
129 HG23 ILE 18 HG23 ILE 18 12.787 2.807 5.430
130 HD11 ILE 18 HD11 ILE 18 10.507 7.202 6.332
131 HD12 ILE 18 HD12 ILE 18 11.624 5.978 6.936
132 HD13 ILE 18 HD13 ILE 18 9.891 5.651 6.903
133 H THR 19 HN THR 19 11.776 5.490 2.352
134 HA THR 19 HA THR 19 14.505 4.474 1.892
135 HB THR 19 HB THR 19 14.426 5.317 -0.402
136 HG1 THR 19 HG1 THR 19 11.806 5.657 -0.681
137 HG21 THR 19 HG21 THR 19 13.314 3.015 0.459
138 HG22 THR 19 HG22 THR 19 13.363 3.470 -1.244
139 HG23 THR 19 HG23 THR 19 11.902 3.751 -0.297
140 H LEU 20 HN LEU 20 16.097 6.073 1.772
141 HA LEU 20 HA LEU 20 15.259 8.844 2.257
142 HB2 LEU 20 HB2 LEU 20 17.074 7.207 4.019
143 HB3 LEU 20 HB1 LEU 20 17.063 8.968 4.053
144 HG LEU 20 HG LEU 20 14.615 7.228 4.490
145 HD11 LEU 20 HD11 LEU 20 14.866 7.863 6.876
146 HD12 LEU 20 HD12 LEU 20 16.402 8.637 6.490
147 HD13 LEU 20 HD13 LEU 20 16.222 6.892 6.301
148 HD21 LEU 20 HD21 LEU 20 13.581 9.210 4.087
149 HD22 LEU 20 HD22 LEU 20 15.081 10.124 4.211
150 HD23 LEU 20 HD23 LEU 20 14.191 9.691 5.668
151 H SER 21 HN SER 21 16.712 10.399 1.546
152 HA SER 21 HA SER 21 18.397 9.677 -0.608
153 HB2 SER 21 HB2 SER 21 19.052 12.028 -0.630
154 HB3 SER 21 HB1 SER 21 17.314 11.894 -0.381
155 HG SER 21 HG SER 21 19.355 12.505 1.472
156 H ARG 22 HN ARG 22 18.936 9.918 2.802
157 HA ARG 22 HA ARG 22 21.855 9.871 2.449
158 HB2 ARG 22 HB2 ARG 22 20.852 11.442 4.111
159 HB3 ARG 22 HB1 ARG 22 20.244 10.050 5.005
160 HG2 ARG 22 HG2 ARG 22 22.536 9.216 5.303
161 HG3 ARG 22 HG1 ARG 22 23.163 10.579 4.374
162 HD2 ARG 22 HD2 ARG 22 22.211 12.139 6.046
163 HD3 ARG 22 HD1 ARG 22 21.630 10.766 6.983
164 HE ARG 22 HE ARG 22 24.374 11.703 6.802
165 HH11 ARG 22 HH11 ARG 22 25.836 10.642 8.178
166 HH12 ARG 22 HH12 ARG 22 25.368 9.167 8.958
167 HH21 ARG 22 HH21 ARG 22 22.199 9.118 7.554
168 HH22 ARG 22 HH22 ARG 22 23.311 8.305 8.605
Start of MODEL 10
1 H GLN 1 HN GLN 1 0.664 -4.128 -5.807
2 HA GLN 1 HA GLN 1 2.173 -4.757 -3.359
3 HB2 GLN 1 HB2 GLN 1 4.304 -4.622 -4.581
4 HB3 GLN 1 HB1 GLN 1 3.314 -5.955 -5.173
5 HG2 GLN 1 HG2 GLN 1 2.496 -4.473 -7.011
6 HG3 GLN 1 HG1 GLN 1 3.606 -3.223 -6.450
7 HE21 GLN 1 HE21 GLN 1 3.370 -5.581 -8.759
8 HE22 GLN 1 HE22 GLN 1 5.014 -5.948 -8.959
9 H TRP 2 HN TRP 2 0.358 -2.629 -3.936
10 HA TRP 2 HA TRP 2 1.681 -0.248 -4.715
11 HB2 TRP 2 HB2 TRP 2 -0.759 -0.441 -4.703
12 HB3 TRP 2 HB1 TRP 2 -0.746 -0.635 -2.950
13 HD1 TRP 2 HD1 TRP 2 -0.113 1.957 -5.689
14 HE1 TRP 2 HE1 TRP 2 -0.170 4.309 -4.632
15 HE3 TRP 2 HE3 TRP 2 -0.440 0.694 -0.752
16 HZ2 TRP 2 HZ2 TRP 2 -0.338 5.496 -2.034
17 HZ3 TRP 2 HZ3 TRP 2 -0.549 2.453 0.990
18 HH2 TRP 2 HH2 TRP 2 -0.497 4.848 0.358
19 H CYS 3 HN CYS 3 2.918 1.163 -3.623
20 HA CYS 3 HA CYS 3 3.382 0.652 -0.743
21 HB2 CYS 3 HB2 CYS 3 5.285 1.782 -2.811
22 HB3 CYS 3 HB1 CYS 3 5.634 1.623 -1.091
23 H GLN 4 HN GLN 4 3.611 2.438 0.620
24 HA GLN 4 HA GLN 4 2.047 4.736 -0.093
25 HB2 GLN 4 HB2 GLN 4 3.329 5.318 2.307
26 HB3 GLN 4 HB1 GLN 4 1.732 4.596 2.138
27 HG2 GLN 4 HG2 GLN 4 4.302 2.994 2.195
28 HG3 GLN 4 HG1 GLN 4 3.327 3.318 3.626
29 HE21 GLN 4 HE21 GLN 4 3.856 0.958 1.369
30 HE22 GLN 4 HE22 GLN 4 2.331 0.215 1.371
31 HA PRO 5 HA PRO 5 5.231 7.468 -1.391
32 HB2 PRO 5 HB2 PRO 5 4.648 9.796 -0.030
33 HB3 PRO 5 HB1 PRO 5 3.760 9.236 -1.460
34 HG2 PRO 5 HG2 PRO 5 3.043 9.017 1.421
35 HG3 PRO 5 HG1 PRO 5 2.011 9.353 0.020
36 HD2 PRO 5 HD2 PRO 5 2.108 6.903 1.195
37 HD3 PRO 5 HD1 PRO 5 1.812 7.103 -0.543
38 H GLY 6 HN GLY 6 7.325 7.912 -0.818
39 HA2 GLY 6 HA2 GLY 6 9.118 8.467 0.605
40 HA3 GLY 6 HA1 GLY 6 8.042 8.297 1.992
41 H TYR 7 HN TYR 7 7.267 5.703 0.297
42 HA TYR 7 HA TYR 7 9.321 3.987 1.557
43 HB2 TYR 7 HB2 TYR 7 6.380 3.556 1.055
44 HB3 TYR 7 HB1 TYR 7 7.471 2.214 1.376
45 HD1 TYR 7 HD1 TYR 7 6.554 5.592 2.738
46 HD2 TYR 7 HD2 TYR 7 7.860 1.593 3.592
47 HE1 TYR 7 HE1 TYR 7 6.430 6.066 5.170
48 HE2 TYR 7 HE2 TYR 7 7.749 2.066 6.017
49 HH TYR 7 HH TYR 7 6.529 3.646 7.523
50 H ALA 8 HN ALA 8 10.243 2.349 0.369
51 HA ALA 8 HA ALA 8 9.731 2.427 -2.544
52 HB1 ALA 8 HB1 ALA 8 12.079 1.614 -2.763
53 HB2 ALA 8 HB2 ALA 8 12.262 1.780 -1.017
54 HB3 ALA 8 HB3 ALA 8 11.963 3.206 -2.012
55 H TYR 9 HN TYR 9 9.188 0.594 -3.564
56 HA TYR 9 HA TYR 9 8.340 -1.677 -2.119
57 HB2 TYR 9 HB2 TYR 9 7.366 -1.119 -4.275
58 HB3 TYR 9 HB1 TYR 9 8.924 -1.356 -5.068
59 HD1 TYR 9 HD1 TYR 9 6.425 -3.134 -2.921
60 HD2 TYR 9 HD2 TYR 9 9.522 -3.486 -5.883
61 HE1 TYR 9 HE1 TYR 9 5.931 -5.551 -3.154
62 HE2 TYR 9 HE2 TYR 9 9.020 -5.901 -6.112
63 HH TYR 9 HH TYR 9 7.853 -7.717 -4.304
64 H ASN 10 HN ASN 10 9.360 -3.461 -1.478
65 HA ASN 10 HA ASN 10 12.130 -3.879 -2.399
66 HB2 ASN 10 HB2 ASN 10 10.892 -3.974 0.252
67 HB3 ASN 10 HB1 ASN 10 11.918 -5.358 -0.120
68 HD21 ASN 10 HD21 ASN 10 14.141 -5.052 0.018
69 HD22 ASN 10 HD22 ASN 10 14.890 -3.544 0.180
70 HA PRO 11 HA PRO 11 10.039 -7.598 -3.956
71 HB2 PRO 11 HB2 PRO 11 12.069 -8.497 -5.560
72 HB3 PRO 11 HB1 PRO 11 10.921 -7.238 -6.045
73 HG2 PRO 11 HG2 PRO 11 13.732 -6.996 -5.175
74 HG3 PRO 11 HG1 PRO 11 12.796 -5.995 -6.299
75 HD2 PRO 11 HD2 PRO 11 13.397 -5.325 -3.658
76 HD3 PRO 11 HD1 PRO 11 12.129 -4.568 -4.641
77 H VAL 12 HN VAL 12 13.286 -7.428 -2.632
78 HA VAL 12 HA VAL 12 13.667 -10.190 -2.132
79 HB VAL 12 HB VAL 12 14.831 -7.725 -0.827
80 HG11 VAL 12 HG11 VAL 12 15.323 -9.211 0.845
81 HG12 VAL 12 HG12 VAL 12 16.596 -9.703 -0.274
82 HG13 VAL 12 HG13 VAL 12 15.088 -10.616 -0.195
83 HG21 VAL 12 HG21 VAL 12 16.640 -8.023 -2.291
84 HG22 VAL 12 HG22 VAL 12 15.266 -8.450 -3.311
85 HG23 VAL 12 HG23 VAL 12 16.250 -9.718 -2.580
86 H LEU 13 HN LEU 13 12.385 -7.547 -0.121
87 HA LEU 13 HA LEU 13 11.816 -9.360 2.073
88 HB2 LEU 13 HB2 LEU 13 11.008 -6.462 1.704
89 HB3 LEU 13 HB1 LEU 13 10.927 -7.389 3.199
90 HG LEU 13 HG LEU 13 13.464 -6.765 1.661
91 HD11 LEU 13 HD11 LEU 13 12.118 -5.547 4.057
92 HD12 LEU 13 HD12 LEU 13 12.893 -4.747 2.689
93 HD13 LEU 13 HD13 LEU 13 13.877 -5.519 3.932
94 HD21 LEU 13 HD21 LEU 13 13.990 -8.745 2.761
95 HD22 LEU 13 HD22 LEU 13 12.824 -8.459 4.053
96 HD23 LEU 13 HD23 LEU 13 14.351 -7.577 4.033
97 H GLY 14 HN GLY 14 10.205 -8.131 -0.721
98 HA2 GLY 14 HA2 GLY 14 8.221 -8.902 -1.659
99 HA3 GLY 14 HA1 GLY 14 7.901 -9.805 -0.184
100 H ILE 15 HN ILE 15 8.637 -6.684 0.727
101 HA ILE 15 HA ILE 15 5.883 -5.713 0.394
102 HB ILE 15 HB ILE 15 5.432 -5.435 2.636
103 HG12 ILE 15 HG12 ILE 15 7.378 -4.157 3.331
104 HG13 ILE 15 HG11 ILE 15 7.207 -5.523 4.424
105 HG21 ILE 15 HG21 ILE 15 5.668 -7.851 2.039
106 HG22 ILE 15 HG22 ILE 15 5.929 -7.528 3.752
107 HG23 ILE 15 HG23 ILE 15 7.308 -7.813 2.689
108 HD11 ILE 15 HD11 ILE 15 9.312 -4.998 2.385
109 HD12 ILE 15 HD12 ILE 15 8.811 -6.672 2.605
110 HD13 ILE 15 HD13 ILE 15 9.437 -5.756 3.970
111 H CYS 16 HN CYS 16 5.799 -3.400 1.530
112 HA CYS 16 HA CYS 16 7.851 -1.841 0.156
113 HB2 CYS 16 HB2 CYS 16 5.440 -0.870 1.712
114 HB3 CYS 16 HB1 CYS 16 6.406 0.058 0.565
115 H THR 17 HN THR 17 9.452 -0.711 1.171
116 HA THR 17 HA THR 17 9.403 -0.617 4.132
117 HB THR 17 HB THR 17 11.835 -0.979 4.119
118 HG1 THR 17 HG1 THR 17 12.860 -0.803 2.318
119 HG21 THR 17 HG21 THR 17 9.845 -2.867 3.701
120 HG22 THR 17 HG22 THR 17 11.502 -3.210 4.204
121 HG23 THR 17 HG23 THR 17 11.064 -3.285 2.497
122 H ILE 18 HN ILE 18 10.524 1.129 5.100
123 HA ILE 18 HA ILE 18 10.190 3.594 3.702
124 HB ILE 18 HB ILE 18 10.019 3.074 6.257
125 HG12 ILE 18 HG12 ILE 18 11.489 5.572 5.352
126 HG13 ILE 18 HG11 ILE 18 9.755 5.328 5.156
127 HG21 ILE 18 HG21 ILE 18 12.492 2.260 6.154
128 HG22 ILE 18 HG22 ILE 18 11.991 3.249 7.525
129 HG23 ILE 18 HG23 ILE 18 12.893 3.976 6.197
130 HD11 ILE 18 HD11 ILE 18 11.274 5.375 7.778
131 HD12 ILE 18 HD12 ILE 18 9.558 4.997 7.619
132 HD13 ILE 18 HD13 ILE 18 10.150 6.603 7.193
133 H THR 19 HN THR 19 11.816 5.180 3.282
134 HA THR 19 HA THR 19 14.540 4.092 2.919
135 HB THR 19 HB THR 19 14.691 5.287 0.781
136 HG1 THR 19 HG1 THR 19 11.925 5.788 1.095
137 HG21 THR 19 HG21 THR 19 12.149 3.808 0.411
138 HG22 THR 19 HG22 THR 19 13.444 2.918 1.213
139 HG23 THR 19 HG23 THR 19 13.705 3.596 -0.394
140 H LEU 20 HN LEU 20 16.212 5.720 2.859
141 HA LEU 20 HA LEU 20 15.442 8.284 4.110
142 HB2 LEU 20 HB2 LEU 20 17.449 8.126 5.532
143 HB3 LEU 20 HB1 LEU 20 16.329 6.800 5.844
144 HG LEU 20 HG LEU 20 17.940 5.846 3.779
145 HD11 LEU 20 HD11 LEU 20 19.461 7.790 4.238
146 HD12 LEU 20 HD12 LEU 20 20.227 6.225 4.506
147 HD13 LEU 20 HD13 LEU 20 19.672 7.181 5.880
148 HD21 LEU 20 HD21 LEU 20 17.086 4.580 5.719
149 HD22 LEU 20 HD22 LEU 20 18.202 5.442 6.777
150 HD23 LEU 20 HD23 LEU 20 18.825 4.350 5.539
151 H SER 21 HN SER 21 17.237 6.584 1.752
152 HA SER 21 HA SER 21 19.350 8.397 1.275
153 HB2 SER 21 HB2 SER 21 19.362 6.162 0.310
154 HB3 SER 21 HB1 SER 21 17.912 6.524 -0.620
155 HG SER 21 HG SER 21 20.380 7.922 -0.809
156 H ARG 22 HN ARG 22 19.507 10.221 0.052
157 HA ARG 22 HA ARG 22 17.219 11.093 -1.548
158 HB2 ARG 22 HB2 ARG 22 16.884 11.954 0.799
159 HB3 ARG 22 HB1 ARG 22 18.376 12.874 0.605
160 HG2 ARG 22 HG2 ARG 22 17.382 13.942 -1.438
161 HG3 ARG 22 HG1 ARG 22 15.864 13.122 -1.073
162 HD2 ARG 22 HD2 ARG 22 15.722 15.339 -0.142
163 HD3 ARG 22 HD1 ARG 22 15.917 14.214 1.199
164 HE ARG 22 HE ARG 22 18.012 15.145 1.618
165 HH11 ARG 22 HH11 ARG 22 19.626 16.707 1.272
166 HH12 ARG 22 HH12 ARG 22 19.617 17.646 -0.182
167 HH21 ARG 22 HH21 ARG 22 16.773 16.126 -1.460
168 HH22 ARG 22 HH22 ARG 22 18.002 17.318 -1.729
Start of MODEL 11
1 H GLN 1 HN GLN 1 1.139 -4.334 -7.045
2 HA GLN 1 HA GLN 1 1.493 -4.937 -4.285
3 HB2 GLN 1 HB2 GLN 1 3.903 -4.395 -4.106
4 HB3 GLN 1 HB1 GLN 1 3.622 -5.871 -5.029
5 HG2 GLN 1 HG2 GLN 1 5.173 -4.712 -6.360
6 HG3 GLN 1 HG1 GLN 1 3.631 -4.305 -7.108
7 HE21 GLN 1 HE21 GLN 1 4.499 -2.245 -7.906
8 HE22 GLN 1 HE22 GLN 1 4.778 -0.949 -6.846
9 H TRP 2 HN TRP 2 1.457 -3.103 -3.039
10 HA TRP 2 HA TRP 2 1.746 -0.503 -4.393
11 HB2 TRP 2 HB2 TRP 2 -0.649 -1.023 -4.415
12 HB3 TRP 2 HB1 TRP 2 -0.612 -1.312 -2.676
13 HD1 TRP 2 HD1 TRP 2 -0.433 1.478 -5.264
14 HE1 TRP 2 HE1 TRP 2 -0.731 3.744 -4.069
15 HE3 TRP 2 HE3 TRP 2 -0.292 -0.065 -0.400
16 HZ2 TRP 2 HZ2 TRP 2 -0.885 4.766 -1.400
17 HZ3 TRP 2 HZ3 TRP 2 -0.510 1.572 1.448
18 HH2 TRP 2 HH2 TRP 2 -0.805 3.984 0.954
19 H CYS 3 HN CYS 3 2.843 0.948 -3.214
20 HA CYS 3 HA CYS 3 3.204 0.413 -0.325
21 HB2 CYS 3 HB2 CYS 3 5.200 1.590 -2.273
22 HB3 CYS 3 HB1 CYS 3 5.440 1.451 -0.531
23 H GLN 4 HN GLN 4 3.299 2.183 1.042
24 HA GLN 4 HA GLN 4 1.637 4.377 0.360
25 HB2 GLN 4 HB2 GLN 4 2.590 5.238 2.652
26 HB3 GLN 4 HB1 GLN 4 1.544 3.818 2.628
27 HG2 GLN 4 HG2 GLN 4 3.382 2.324 2.795
28 HG3 GLN 4 HG1 GLN 4 4.533 3.586 2.392
29 HE21 GLN 4 HE21 GLN 4 5.364 2.435 4.546
30 HE22 GLN 4 HE22 GLN 4 4.917 3.232 5.981
31 HA PRO 5 HA PRO 5 4.485 7.373 -1.301
32 HB2 PRO 5 HB2 PRO 5 3.679 9.274 0.858
33 HB3 PRO 5 HB1 PRO 5 3.683 9.503 -0.901
34 HG2 PRO 5 HG2 PRO 5 1.416 9.136 0.397
35 HG3 PRO 5 HG1 PRO 5 1.688 8.383 -1.185
36 HD2 PRO 5 HD2 PRO 5 1.757 7.122 1.537
37 HD3 PRO 5 HD1 PRO 5 1.160 6.473 -0.008
38 H GLY 6 HN GLY 6 6.645 7.765 -1.025
39 HA2 GLY 6 HA2 GLY 6 8.625 8.321 0.091
40 HA3 GLY 6 HA1 GLY 6 7.764 8.233 1.622
41 H TYR 7 HN TYR 7 6.984 5.497 -0.083
42 HA TYR 7 HA TYR 7 9.197 3.942 1.129
43 HB2 TYR 7 HB2 TYR 7 6.257 3.308 0.938
44 HB3 TYR 7 HB1 TYR 7 7.466 2.082 1.279
45 HD1 TYR 7 HD1 TYR 7 6.279 5.424 2.466
46 HD2 TYR 7 HD2 TYR 7 8.205 1.733 3.471
47 HE1 TYR 7 HE1 TYR 7 6.325 6.098 4.853
48 HE2 TYR 7 HE2 TYR 7 8.268 2.398 5.849
49 HH TYR 7 HH TYR 7 7.436 3.871 7.364
50 H ALA 8 HN ALA 8 10.080 2.295 -0.061
51 HA ALA 8 HA ALA 8 9.245 2.151 -2.895
52 HB1 ALA 8 HB1 ALA 8 11.947 1.686 -1.609
53 HB2 ALA 8 HB2 ALA 8 11.497 3.016 -2.677
54 HB3 ALA 8 HB3 ALA 8 11.586 1.371 -3.307
55 H TYR 9 HN TYR 9 8.530 0.249 -3.648
56 HA TYR 9 HA TYR 9 8.025 -1.925 -1.915
57 HB2 TYR 9 HB2 TYR 9 6.665 -1.523 -3.904
58 HB3 TYR 9 HB1 TYR 9 8.056 -1.842 -4.940
59 HD1 TYR 9 HD1 TYR 9 5.875 -3.380 -2.330
60 HD2 TYR 9 HD2 TYR 9 8.638 -4.060 -5.554
61 HE1 TYR 9 HE1 TYR 9 5.375 -5.807 -2.247
62 HE2 TYR 9 HE2 TYR 9 8.131 -6.485 -5.468
63 HH TYR 9 HH TYR 9 7.001 -8.092 -4.454
64 H ASN 10 HN ASN 10 9.196 -3.645 -1.361
65 HA ASN 10 HA ASN 10 11.772 -4.061 -2.728
66 HB2 ASN 10 HB2 ASN 10 11.006 -4.037 0.085
67 HB3 ASN 10 HB1 ASN 10 11.932 -5.464 -0.379
68 HD21 ASN 10 HD21 ASN 10 14.147 -5.209 -0.509
69 HD22 ASN 10 HD22 ASN 10 14.943 -3.719 -0.604
70 HA PRO 11 HA PRO 11 9.551 -7.868 -3.802
71 HB2 PRO 11 HB2 PRO 11 11.340 -8.820 -5.643
72 HB3 PRO 11 HB1 PRO 11 10.120 -7.589 -6.008
73 HG2 PRO 11 HG2 PRO 11 13.023 -7.292 -5.549
74 HG3 PRO 11 HG1 PRO 11 11.931 -6.354 -6.581
75 HD2 PRO 11 HD2 PRO 11 12.877 -5.545 -4.089
76 HD3 PRO 11 HD1 PRO 11 11.462 -4.860 -4.912
77 H VAL 12 HN VAL 12 12.947 -7.620 -2.940
78 HA VAL 12 HA VAL 12 13.423 -10.360 -2.390
79 HB VAL 12 HB VAL 12 14.714 -7.835 -1.338
80 HG11 VAL 12 HG11 VAL 12 15.194 -9.444 0.328
81 HG12 VAL 12 HG12 VAL 12 16.582 -9.529 -0.757
82 HG13 VAL 12 HG13 VAL 12 15.315 -10.752 -0.850
83 HG21 VAL 12 HG21 VAL 12 14.826 -8.694 -3.833
84 HG22 VAL 12 HG22 VAL 12 15.962 -9.868 -3.166
85 HG23 VAL 12 HG23 VAL 12 16.294 -8.141 -3.028
86 H LEU 13 HN LEU 13 12.402 -7.642 -0.330
87 HA LEU 13 HA LEU 13 12.120 -9.354 1.994
88 HB2 LEU 13 HB2 LEU 13 11.256 -6.481 1.574
89 HB3 LEU 13 HB1 LEU 13 11.325 -7.326 3.117
90 HG LEU 13 HG LEU 13 13.697 -6.796 1.299
91 HD11 LEU 13 HD11 LEU 13 14.119 -5.563 3.746
92 HD12 LEU 13 HD12 LEU 13 12.410 -5.264 3.438
93 HD13 LEU 13 HD13 LEU 13 13.619 -4.752 2.262
94 HD21 LEU 13 HD21 LEU 13 14.335 -8.710 2.453
95 HD22 LEU 13 HD22 LEU 13 13.302 -8.347 3.837
96 HD23 LEU 13 HD23 LEU 13 14.819 -7.473 3.613
97 H GLY 14 HN GLY 14 10.118 -8.113 -0.568
98 HA2 GLY 14 HA2 GLY 14 8.013 -8.872 -1.218
99 HA3 GLY 14 HA1 GLY 14 7.927 -9.825 0.257
100 H ILE 15 HN ILE 15 8.857 -6.749 1.101
101 HA ILE 15 HA ILE 15 6.086 -5.783 1.394
102 HB ILE 15 HB ILE 15 6.736 -4.989 3.716
103 HG12 ILE 15 HG12 ILE 15 8.556 -6.378 4.788
104 HG13 ILE 15 HG11 ILE 15 9.017 -6.927 3.181
105 HG21 ILE 15 HG21 ILE 15 5.241 -6.872 3.410
106 HG22 ILE 15 HG22 ILE 15 6.373 -7.262 4.704
107 HG23 ILE 15 HG23 ILE 15 6.601 -7.952 3.097
108 HD11 ILE 15 HD11 ILE 15 9.884 -4.869 2.578
109 HD12 ILE 15 HD12 ILE 15 10.191 -4.820 4.311
110 HD13 ILE 15 HD13 ILE 15 8.799 -3.974 3.641
111 H CYS 16 HN CYS 16 6.128 -3.437 2.263
112 HA CYS 16 HA CYS 16 7.872 -1.927 0.473
113 HB2 CYS 16 HB2 CYS 16 5.647 -0.988 2.312
114 HB3 CYS 16 HB1 CYS 16 6.459 -0.015 1.088
115 H THR 17 HN THR 17 9.540 -0.632 1.118
116 HA THR 17 HA THR 17 9.995 -0.329 4.030
117 HB THR 17 HB THR 17 12.405 -0.565 3.616
118 HG1 THR 17 HG1 THR 17 12.721 -0.006 1.561
119 HG21 THR 17 HG21 THR 17 12.372 -2.874 3.624
120 HG22 THR 17 HG22 THR 17 11.218 -2.965 2.293
121 HG23 THR 17 HG23 THR 17 10.660 -2.554 3.914
122 H ILE 18 HN ILE 18 11.042 1.560 4.694
123 HA ILE 18 HA ILE 18 10.374 3.868 3.151
124 HB ILE 18 HB ILE 18 10.528 3.522 5.753
125 HG12 ILE 18 HG12 ILE 18 11.550 6.076 4.470
126 HG13 ILE 18 HG11 ILE 18 9.851 5.619 4.556
127 HG21 ILE 18 HG21 ILE 18 13.046 2.976 5.431
128 HG22 ILE 18 HG22 ILE 18 12.592 4.045 6.759
129 HG23 ILE 18 HG23 ILE 18 13.251 4.721 5.269
130 HD11 ILE 18 HD11 ILE 18 10.982 5.339 7.168
131 HD12 ILE 18 HD12 ILE 18 9.716 6.445 6.635
132 HD13 ILE 18 HD13 ILE 18 11.408 6.934 6.546
133 H THR 19 HN THR 19 11.807 5.469 2.334
134 HA THR 19 HA THR 19 14.577 4.576 1.873
135 HB THR 19 HB THR 19 14.433 5.362 -0.442
136 HG1 THR 19 HG1 THR 19 12.799 6.510 -1.067
137 HG21 THR 19 HG21 THR 19 13.436 3.024 0.513
138 HG22 THR 19 HG22 THR 19 13.517 3.417 -1.205
139 HG23 THR 19 HG23 THR 19 12.013 3.658 -0.316
140 H LEU 20 HN LEU 20 16.086 6.248 1.672
141 HA LEU 20 HA LEU 20 15.118 8.984 2.121
142 HB2 LEU 20 HB2 LEU 20 17.072 7.481 3.854
143 HB3 LEU 20 HB1 LEU 20 16.951 9.237 3.865
144 HG LEU 20 HG LEU 20 14.632 7.353 4.397
145 HD11 LEU 20 HD11 LEU 20 14.929 8.220 6.775
146 HD12 LEU 20 HD12 LEU 20 16.513 8.802 6.262
147 HD13 LEU 20 HD13 LEU 20 16.148 7.077 6.213
148 HD21 LEU 20 HD21 LEU 20 13.929 9.695 5.522
149 HD22 LEU 20 HD22 LEU 20 13.559 9.314 3.843
150 HD23 LEU 20 HD23 LEU 20 14.954 10.318 4.231
151 H SER 21 HN SER 21 16.487 10.600 1.362
152 HA SER 21 HA SER 21 18.128 9.938 -0.842
153 HB2 SER 21 HB2 SER 21 18.704 12.309 -0.882
154 HB3 SER 21 HB1 SER 21 16.980 12.117 -0.577
155 HG SER 21 HG SER 21 18.147 13.619 0.832
156 H ARG 22 HN ARG 22 18.760 10.186 2.547
157 HA ARG 22 HA ARG 22 21.495 10.774 2.581
158 HB2 ARG 22 HB2 ARG 22 20.100 10.663 4.608
159 HB3 ARG 22 HB1 ARG 22 19.957 8.916 4.413
160 HG2 ARG 22 HG2 ARG 22 22.356 8.636 4.694
161 HG3 ARG 22 HG1 ARG 22 22.591 10.383 4.732
162 HD2 ARG 22 HD2 ARG 22 22.602 9.502 7.013
163 HD3 ARG 22 HD1 ARG 22 21.176 10.508 6.768
164 HE ARG 22 HE ARG 22 20.603 7.769 6.194
165 HH11 ARG 22 HH11 ARG 22 19.344 6.636 7.706
166 HH12 ARG 22 HH12 ARG 22 19.167 7.252 9.315
167 HH21 ARG 22 HH21 ARG 22 21.151 10.039 8.747
168 HH22 ARG 22 HH22 ARG 22 20.191 9.179 9.904
Start of MODEL 12
1 H GLN 1 HN GLN 1 2.383 -5.803 -4.173
2 HA GLN 1 HA GLN 1 0.807 -5.204 -2.591
3 HB2 GLN 1 HB2 GLN 1 3.255 -5.115 -0.819
4 HB3 GLN 1 HB1 GLN 1 1.621 -4.793 -0.234
5 HG2 GLN 1 HG2 GLN 1 0.898 -7.017 -1.015
6 HG3 GLN 1 HG1 GLN 1 2.529 -7.342 -1.605
7 HE21 GLN 1 HE21 GLN 1 3.212 -8.966 -0.147
8 HE22 GLN 1 HE22 GLN 1 3.259 -8.759 1.538
9 H TRP 2 HN TRP 2 0.003 -3.283 -1.488
10 HA TRP 2 HA TRP 2 0.713 -0.895 -2.847
11 HB2 TRP 2 HB2 TRP 2 -1.557 -1.320 -1.993
12 HB3 TRP 2 HB1 TRP 2 -0.946 -1.256 -0.340
13 HD1 TRP 2 HD1 TRP 2 -1.655 0.949 -3.370
14 HE1 TRP 2 HE1 TRP 2 -1.616 3.419 -2.630
15 HE3 TRP 2 HE3 TRP 2 0.017 0.409 1.425
16 HZ2 TRP 2 HZ2 TRP 2 -0.962 4.961 -0.312
17 HZ3 TRP 2 HZ3 TRP 2 0.337 2.392 2.875
18 HH2 TRP 2 HH2 TRP 2 -0.146 4.665 2.016
19 H CYS 3 HN CYS 3 2.110 0.682 -2.353
20 HA CYS 3 HA CYS 3 3.450 0.585 0.288
21 HB2 CYS 3 HB2 CYS 3 4.593 1.443 -2.382
22 HB3 CYS 3 HB1 CYS 3 5.435 1.541 -0.837
23 H GLN 4 HN GLN 4 3.963 2.562 1.259
24 HA GLN 4 HA GLN 4 2.098 4.682 0.802
25 HB2 GLN 4 HB2 GLN 4 4.085 5.682 2.481
26 HB3 GLN 4 HB1 GLN 4 2.591 4.902 2.997
27 HG2 GLN 4 HG2 GLN 4 5.132 3.387 2.360
28 HG3 GLN 4 HG1 GLN 4 4.712 3.931 3.982
29 HE21 GLN 4 HE21 GLN 4 4.563 1.238 2.051
30 HE22 GLN 4 HE22 GLN 4 3.205 0.479 2.731
31 HA PRO 5 HA PRO 5 4.411 7.233 -1.927
32 HB2 PRO 5 HB2 PRO 5 4.177 9.740 -0.792
33 HB3 PRO 5 HB1 PRO 5 2.890 8.946 -1.718
34 HG2 PRO 5 HG2 PRO 5 3.238 9.171 1.228
35 HG3 PRO 5 HG1 PRO 5 1.761 9.264 0.254
36 HD2 PRO 5 HD2 PRO 5 2.436 7.033 1.653
37 HD3 PRO 5 HD1 PRO 5 1.544 6.950 0.122
38 H GLY 6 HN GLY 6 6.539 7.774 -2.214
39 HA2 GLY 6 HA2 GLY 6 8.674 8.576 -1.630
40 HA3 GLY 6 HA1 GLY 6 8.168 8.638 0.057
41 H TYR 7 HN TYR 7 7.041 5.776 -0.848
42 HA TYR 7 HA TYR 7 9.523 4.329 -0.134
43 HB2 TYR 7 HB2 TYR 7 6.628 3.774 0.506
44 HB3 TYR 7 HB1 TYR 7 7.864 2.531 0.639
45 HD1 TYR 7 HD1 TYR 7 7.212 6.081 1.669
46 HD2 TYR 7 HD2 TYR 7 9.021 2.316 2.655
47 HE1 TYR 7 HE1 TYR 7 7.872 6.976 3.886
48 HE2 TYR 7 HE2 TYR 7 9.692 3.209 4.862
49 HH TYR 7 HH TYR 7 8.842 6.539 5.829
50 H ALA 8 HN ALA 8 10.096 2.527 -1.305
51 HA ALA 8 HA ALA 8 8.578 2.074 -3.805
52 HB1 ALA 8 HB1 ALA 8 10.734 2.929 -4.359
53 HB2 ALA 8 HB2 ALA 8 10.802 1.194 -4.657
54 HB3 ALA 8 HB3 ALA 8 11.529 1.866 -3.199
55 H TYR 9 HN TYR 9 7.847 0.073 -4.236
56 HA TYR 9 HA TYR 9 7.763 -1.898 -2.218
57 HB2 TYR 9 HB2 TYR 9 6.036 -1.750 -3.935
58 HB3 TYR 9 HB1 TYR 9 7.217 -2.156 -5.181
59 HD1 TYR 9 HD1 TYR 9 5.739 -3.439 -1.990
60 HD2 TYR 9 HD2 TYR 9 7.656 -4.414 -5.715
61 HE1 TYR 9 HE1 TYR 9 5.356 -5.851 -1.559
62 HE2 TYR 9 HE2 TYR 9 7.268 -6.822 -5.279
63 HH TYR 9 HH TYR 9 5.358 -8.126 -3.716
64 H ASN 10 HN ASN 10 9.077 -3.524 -1.709
65 HA ASN 10 HA ASN 10 11.354 -4.075 -3.497
66 HB2 ASN 10 HB2 ASN 10 11.155 -3.707 -0.602
67 HB3 ASN 10 HB1 ASN 10 12.072 -5.132 -1.088
68 HD21 ASN 10 HD21 ASN 10 14.178 -4.797 -1.777
69 HD22 ASN 10 HD22 ASN 10 14.830 -3.285 -2.172
70 HA PRO 11 HA PRO 11 9.125 -8.030 -3.567
71 HB2 PRO 11 HB2 PRO 11 10.505 -9.180 -5.632
72 HB3 PRO 11 HB1 PRO 11 9.177 -8.029 -5.863
73 HG2 PRO 11 HG2 PRO 11 12.092 -7.624 -6.112
74 HG3 PRO 11 HG1 PRO 11 10.756 -6.846 -6.976
75 HD2 PRO 11 HD2 PRO 11 12.196 -5.708 -4.877
76 HD3 PRO 11 HD1 PRO 11 10.611 -5.152 -5.443
77 H VAL 12 HN VAL 12 12.610 -7.604 -3.551
78 HA VAL 12 HA VAL 12 13.338 -10.233 -2.790
79 HB VAL 12 HB VAL 12 14.707 -7.565 -2.402
80 HG11 VAL 12 HG11 VAL 12 16.705 -9.353 -2.190
81 HG12 VAL 12 HG12 VAL 12 15.404 -10.314 -1.486
82 HG13 VAL 12 HG13 VAL 12 15.828 -8.753 -0.782
83 HG21 VAL 12 HG21 VAL 12 15.421 -9.864 -4.237
84 HG22 VAL 12 HG22 VAL 12 16.002 -8.200 -4.306
85 HG23 VAL 12 HG23 VAL 12 14.331 -8.568 -4.734
86 H LEU 13 HN LEU 13 12.661 -7.291 -0.903
87 HA LEU 13 HA LEU 13 13.033 -8.687 1.612
88 HB2 LEU 13 HB2 LEU 13 11.925 -5.917 1.086
89 HB3 LEU 13 HB1 LEU 13 12.441 -6.559 2.643
90 HG LEU 13 HG LEU 13 14.230 -6.194 0.223
91 HD11 LEU 13 HD11 LEU 13 15.281 -4.580 2.080
92 HD12 LEU 13 HD12 LEU 13 13.602 -4.523 2.613
93 HD13 LEU 13 HD13 LEU 13 14.024 -4.028 0.974
94 HD21 LEU 13 HD21 LEU 13 14.598 -7.404 2.947
95 HD22 LEU 13 HD22 LEU 13 15.949 -6.542 2.212
96 HD23 LEU 13 HD23 LEU 13 15.243 -7.935 1.395
97 H GLY 14 HN GLY 14 10.456 -7.993 -0.578
98 HA2 GLY 14 HA2 GLY 14 8.333 -8.945 -0.604
99 HA3 GLY 14 HA1 GLY 14 8.618 -9.569 1.013
100 H ILE 15 HN ILE 15 9.399 -6.330 1.081
101 HA ILE 15 HA ILE 15 6.638 -5.456 1.587
102 HB ILE 15 HB ILE 15 6.965 -4.790 3.768
103 HG12 ILE 15 HG12 ILE 15 8.943 -3.403 3.527
104 HG13 ILE 15 HG11 ILE 15 9.248 -4.560 4.813
105 HG21 ILE 15 HG21 ILE 15 7.130 -7.269 3.536
106 HG22 ILE 15 HG22 ILE 15 7.961 -6.652 4.964
107 HG23 ILE 15 HG23 ILE 15 8.888 -7.119 3.538
108 HD11 ILE 15 HD11 ILE 15 10.482 -4.383 2.109
109 HD12 ILE 15 HD12 ILE 15 10.200 -5.996 2.758
110 HD13 ILE 15 HD13 ILE 15 11.196 -4.852 3.649
111 H CYS 16 HN CYS 16 6.787 -2.986 2.295
112 HA CYS 16 HA CYS 16 8.131 -1.670 0.061
113 HB2 CYS 16 HB2 CYS 16 6.308 -0.494 2.175
114 HB3 CYS 16 HB1 CYS 16 6.795 0.268 0.663
115 H THR 17 HN THR 17 9.866 -0.321 0.250
116 HA THR 17 HA THR 17 10.843 0.279 2.980
117 HB THR 17 HB THR 17 13.138 -0.051 2.174
118 HG1 THR 17 HG1 THR 17 12.485 0.388 -0.069
119 HG21 THR 17 HG21 THR 17 11.228 -2.017 2.717
120 HG22 THR 17 HG22 THR 17 12.980 -2.217 2.762
121 HG23 THR 17 HG23 THR 17 12.085 -2.612 1.295
122 H ILE 18 HN ILE 18 12.148 2.173 3.172
123 HA ILE 18 HA ILE 18 11.183 4.329 1.522
124 HB ILE 18 HB ILE 18 11.719 4.301 4.086
125 HG12 ILE 18 HG12 ILE 18 12.685 6.639 2.411
126 HG13 ILE 18 HG11 ILE 18 10.985 6.290 2.711
127 HG21 ILE 18 HG21 ILE 18 14.393 5.264 3.083
128 HG22 ILE 18 HG22 ILE 18 14.134 3.569 3.495
129 HG23 ILE 18 HG23 ILE 18 13.926 4.816 4.723
130 HD11 ILE 18 HD11 ILE 18 12.729 7.764 4.364
131 HD12 ILE 18 HD12 ILE 18 12.451 6.235 5.197
132 HD13 ILE 18 HD13 ILE 18 11.085 7.250 4.738
133 H THR 19 HN THR 19 12.331 5.583 0.089
134 HA THR 19 HA THR 19 14.887 4.443 -0.828
135 HB THR 19 HB THR 19 14.410 5.607 -2.946
136 HG1 THR 19 HG1 THR 19 12.707 6.905 -1.409
137 HG21 THR 19 HG21 THR 19 13.080 3.363 -1.864
138 HG22 THR 19 HG22 THR 19 13.319 3.742 -3.570
139 HG23 THR 19 HG23 THR 19 11.858 4.282 -2.743
140 H LEU 20 HN LEU 20 13.996 6.660 1.200
141 HA LEU 20 HA LEU 20 15.898 8.733 0.306
142 HB2 LEU 20 HB2 LEU 20 13.625 9.556 0.736
143 HB3 LEU 20 HB1 LEU 20 13.678 8.884 2.363
144 HG LEU 20 HG LEU 20 15.574 10.375 2.920
145 HD11 LEU 20 HD11 LEU 20 15.802 12.308 1.108
146 HD12 LEU 20 HD12 LEU 20 15.306 11.022 0.008
147 HD13 LEU 20 HD13 LEU 20 16.763 10.835 0.982
148 HD21 LEU 20 HD21 LEU 20 13.298 11.929 1.661
149 HD22 LEU 20 HD22 LEU 20 14.307 12.433 3.015
150 HD23 LEU 20 HD23 LEU 20 13.174 11.095 3.209
151 H SER 21 HN SER 21 17.816 8.788 1.272
152 HA SER 21 HA SER 21 18.491 7.062 3.436
153 HB2 SER 21 HB2 SER 21 19.991 9.396 2.229
154 HB3 SER 21 HB1 SER 21 20.671 8.255 3.385
155 HG SER 21 HG SER 21 20.479 6.643 1.905
156 H ARG 22 HN ARG 22 19.001 7.557 5.577
157 HA ARG 22 HA ARG 22 18.674 10.240 6.604
158 HB2 ARG 22 HB2 ARG 22 16.316 9.374 6.373
159 HB3 ARG 22 HB1 ARG 22 16.730 8.122 7.545
160 HG2 ARG 22 HG2 ARG 22 17.341 9.854 9.191
161 HG3 ARG 22 HG1 ARG 22 16.933 11.111 8.022
162 HD2 ARG 22 HD2 ARG 22 15.008 9.036 9.105
163 HD3 ARG 22 HD1 ARG 22 15.084 10.717 9.612
164 HE ARG 22 HE ARG 22 14.265 11.372 7.459
165 HH11 ARG 22 HH11 ARG 22 12.802 10.895 5.809
166 HH12 ARG 22 HH12 ARG 22 12.392 9.248 5.461
167 HH21 ARG 22 HH21 ARG 22 14.438 7.921 7.915
168 HH22 ARG 22 HH22 ARG 22 13.311 7.577 6.650
Start of MODEL 13
1 H GLN 1 HN GLN 1 0.070 -4.428 -6.303
2 HA GLN 1 HA GLN 1 1.924 -4.758 -4.380
3 HB2 GLN 1 HB2 GLN 1 3.627 -5.623 -5.751
4 HB3 GLN 1 HB1 GLN 1 3.303 -4.465 -7.041
5 HG2 GLN 1 HG2 GLN 1 4.137 -3.424 -4.358
6 HG3 GLN 1 HG1 GLN 1 5.363 -4.125 -5.411
7 HE21 GLN 1 HE21 GLN 1 4.583 -1.191 -4.594
8 HE22 GLN 1 HE22 GLN 1 4.573 -0.382 -6.086
9 H TRP 2 HN TRP 2 1.486 -2.979 -3.257
10 HA TRP 2 HA TRP 2 1.734 -0.364 -4.583
11 HB2 TRP 2 HB2 TRP 2 -0.663 -0.903 -4.588
12 HB3 TRP 2 HB1 TRP 2 -0.607 -1.188 -2.848
13 HD1 TRP 2 HD1 TRP 2 -0.432 1.601 -5.444
14 HE1 TRP 2 HE1 TRP 2 -0.742 3.867 -4.256
15 HE3 TRP 2 HE3 TRP 2 -0.320 0.064 -0.575
16 HZ2 TRP 2 HZ2 TRP 2 -0.914 4.893 -1.589
17 HZ3 TRP 2 HZ3 TRP 2 -0.557 1.706 1.265
18 HH2 TRP 2 HH2 TRP 2 -0.851 4.114 0.767
19 H CYS 3 HN CYS 3 2.838 1.069 -3.400
20 HA CYS 3 HA CYS 3 3.262 0.484 -0.527
21 HB2 CYS 3 HB2 CYS 3 5.173 1.767 -2.496
22 HB3 CYS 3 HB1 CYS 3 5.467 1.581 -0.768
23 H GLN 4 HN GLN 4 3.309 2.238 0.888
24 HA GLN 4 HA GLN 4 1.627 4.438 0.217
25 HB2 GLN 4 HB2 GLN 4 2.818 5.180 2.563
26 HB3 GLN 4 HB1 GLN 4 1.412 4.126 2.463
27 HG2 GLN 4 HG2 GLN 4 4.211 3.021 2.305
28 HG3 GLN 4 HG1 GLN 4 3.439 3.325 3.858
29 HE21 GLN 4 HE21 GLN 4 4.159 0.685 2.567
30 HE22 GLN 4 HE22 GLN 4 2.701 -0.183 2.506
31 HA PRO 5 HA PRO 5 4.563 7.344 -1.282
32 HB2 PRO 5 HB2 PRO 5 3.873 9.657 0.076
33 HB3 PRO 5 HB1 PRO 5 3.004 9.029 -1.337
34 HG2 PRO 5 HG2 PRO 5 2.338 8.797 1.553
35 HG3 PRO 5 HG1 PRO 5 1.269 9.045 0.162
36 HD2 PRO 5 HD2 PRO 5 1.527 6.626 1.362
37 HD3 PRO 5 HD1 PRO 5 1.227 6.777 -0.378
38 H GLY 6 HN GLY 6 6.642 7.940 -0.808
39 HA2 GLY 6 HA2 GLY 6 8.443 8.659 0.534
40 HA3 GLY 6 HA1 GLY 6 7.445 8.420 1.966
41 H TYR 7 HN TYR 7 6.833 5.750 0.293
42 HA TYR 7 HA TYR 7 9.074 4.226 1.483
43 HB2 TYR 7 HB2 TYR 7 6.160 3.529 1.131
44 HB3 TYR 7 HB1 TYR 7 7.384 2.312 1.464
45 HD1 TYR 7 HD1 TYR 7 6.157 5.625 2.735
46 HD2 TYR 7 HD2 TYR 7 7.939 1.837 3.681
47 HE1 TYR 7 HE1 TYR 7 6.072 6.184 5.150
48 HE2 TYR 7 HE2 TYR 7 7.869 2.396 6.089
49 HH TYR 7 HH TYR 7 7.388 3.953 7.601
50 H ALA 8 HN ALA 8 10.050 2.628 0.270
51 HA ALA 8 HA ALA 8 9.355 2.598 -2.607
52 HB1 ALA 8 HB1 ALA 8 12.023 2.041 -1.286
53 HB2 ALA 8 HB2 ALA 8 11.586 3.536 -2.111
54 HB3 ALA 8 HB3 ALA 8 11.704 2.029 -3.019
55 H TYR 9 HN TYR 9 8.844 0.699 -3.539
56 HA TYR 9 HA TYR 9 8.253 -1.567 -1.963
57 HB2 TYR 9 HB2 TYR 9 7.094 -1.134 -4.069
58 HB3 TYR 9 HB1 TYR 9 8.602 -1.351 -4.959
59 HD1 TYR 9 HD1 TYR 9 6.287 -3.099 -2.600
60 HD2 TYR 9 HD2 TYR 9 9.284 -3.505 -5.656
61 HE1 TYR 9 HE1 TYR 9 5.889 -5.544 -2.667
62 HE2 TYR 9 HE2 TYR 9 8.880 -5.949 -5.721
63 HH TYR 9 HH TYR 9 7.844 -7.694 -3.747
64 H ASN 10 HN ASN 10 9.424 -3.270 -1.354
65 HA ASN 10 HA ASN 10 12.146 -3.536 -2.454
66 HB2 ASN 10 HB2 ASN 10 11.088 -3.656 0.273
67 HB3 ASN 10 HB1 ASN 10 12.183 -4.972 -0.141
68 HD21 ASN 10 HD21 ASN 10 14.380 -4.511 -0.135
69 HD22 ASN 10 HD22 ASN 10 15.030 -2.952 -0.056
70 HA PRO 11 HA PRO 11 10.219 -7.426 -3.792
71 HB2 PRO 11 HB2 PRO 11 12.183 -8.219 -5.523
72 HB3 PRO 11 HB1 PRO 11 10.932 -7.039 -5.945
73 HG2 PRO 11 HG2 PRO 11 13.774 -6.613 -5.256
74 HG3 PRO 11 HG1 PRO 11 12.716 -5.699 -6.345
75 HD2 PRO 11 HD2 PRO 11 13.426 -4.924 -3.763
76 HD3 PRO 11 HD1 PRO 11 12.051 -4.278 -4.678
77 H VAL 12 HN VAL 12 13.522 -6.990 -2.690
78 HA VAL 12 HA VAL 12 14.147 -9.702 -2.167
79 HB VAL 12 HB VAL 12 15.190 -7.124 -0.982
80 HG11 VAL 12 HG11 VAL 12 17.137 -8.952 -0.511
81 HG12 VAL 12 HG12 VAL 12 15.710 -9.967 -0.306
82 HG13 VAL 12 HG13 VAL 12 15.911 -8.520 0.682
83 HG21 VAL 12 HG21 VAL 12 16.974 -8.806 -2.569
84 HG22 VAL 12 HG22 VAL 12 16.592 -7.095 -2.757
85 HG23 VAL 12 HG23 VAL 12 15.544 -8.317 -3.479
86 H LEU 13 HN LEU 13 12.782 -7.120 -0.134
87 HA LEU 13 HA LEU 13 12.483 -8.920 2.126
88 HB2 LEU 13 HB2 LEU 13 11.457 -6.093 1.756
89 HB3 LEU 13 HB1 LEU 13 11.532 -6.989 3.271
90 HG LEU 13 HG LEU 13 13.923 -6.233 1.567
91 HD11 LEU 13 HD11 LEU 13 14.211 -5.049 4.034
92 HD12 LEU 13 HD12 LEU 13 12.476 -4.898 3.753
93 HD13 LEU 13 HD13 LEU 13 13.619 -4.232 2.586
94 HD21 LEU 13 HD21 LEU 13 14.632 -8.155 2.677
95 HD22 LEU 13 HD22 LEU 13 13.546 -7.892 4.042
96 HD23 LEU 13 HD23 LEU 13 15.014 -6.927 3.883
97 H GLY 14 HN GLY 14 10.621 -7.858 -0.580
98 HA2 GLY 14 HA2 GLY 14 8.640 -8.783 -1.377
99 HA3 GLY 14 HA1 GLY 14 8.471 -9.663 0.133
100 H ILE 15 HN ILE 15 9.056 -6.487 0.945
101 HA ILE 15 HA ILE 15 6.230 -5.698 0.757
102 HB ILE 15 HB ILE 15 5.900 -5.390 3.017
103 HG12 ILE 15 HG12 ILE 15 7.799 -3.979 3.563
104 HG13 ILE 15 HG11 ILE 15 7.783 -5.325 4.693
105 HG21 ILE 15 HG21 ILE 15 7.924 -7.642 3.027
106 HG22 ILE 15 HG22 ILE 15 6.266 -7.803 2.446
107 HG23 ILE 15 HG23 ILE 15 6.574 -7.420 4.140
108 HD11 ILE 15 HD11 ILE 15 9.992 -5.428 4.100
109 HD12 ILE 15 HD12 ILE 15 9.718 -4.717 2.513
110 HD13 ILE 15 HD13 ILE 15 9.341 -6.415 2.796
111 H CYS 16 HN CYS 16 6.089 -3.364 1.887
112 HA CYS 16 HA CYS 16 7.950 -1.719 0.341
113 HB2 CYS 16 HB2 CYS 16 5.544 -0.888 1.984
114 HB3 CYS 16 HB1 CYS 16 6.411 0.104 0.815
115 H THR 17 HN THR 17 9.521 -0.458 1.233
116 HA THR 17 HA THR 17 9.614 -0.262 4.185
117 HB THR 17 HB THR 17 12.058 -0.491 4.063
118 HG1 THR 17 HG1 THR 17 11.475 -0.840 1.320
119 HG21 THR 17 HG21 THR 17 10.125 -2.498 3.725
120 HG22 THR 17 HG22 THR 17 11.770 -2.703 4.326
121 HG23 THR 17 HG23 THR 17 11.427 -2.912 2.609
122 H ILE 18 HN ILE 18 10.639 1.579 5.038
123 HA ILE 18 HA ILE 18 10.125 3.965 3.557
124 HB ILE 18 HB ILE 18 10.057 3.509 6.141
125 HG12 ILE 18 HG12 ILE 18 11.259 6.089 5.086
126 HG13 ILE 18 HG11 ILE 18 9.548 5.681 4.979
127 HG21 ILE 18 HG21 ILE 18 12.583 2.909 5.998
128 HG22 ILE 18 HG22 ILE 18 12.040 3.920 7.339
129 HG23 ILE 18 HG23 ILE 18 12.838 4.653 5.947
130 HD11 ILE 18 HD11 ILE 18 9.213 6.366 7.088
131 HD12 ILE 18 HD12 ILE 18 10.900 6.872 7.168
132 HD13 ILE 18 HD13 ILE 18 10.442 5.245 7.674
133 H THR 19 HN THR 19 11.638 5.605 2.993
134 HA THR 19 HA THR 19 14.414 4.654 2.617
135 HB THR 19 HB THR 19 14.442 5.724 0.418
136 HG1 THR 19 HG1 THR 19 12.769 6.852 -0.297
137 HG21 THR 19 HG21 THR 19 13.500 3.925 -0.617
138 HG22 THR 19 HG22 THR 19 11.946 4.154 0.185
139 HG23 THR 19 HG23 THR 19 13.265 3.346 1.032
140 H LEU 20 HN LEU 20 15.999 6.357 2.446
141 HA LEU 20 HA LEU 20 15.120 8.980 3.457
142 HB2 LEU 20 HB2 LEU 20 15.907 7.678 5.389
143 HB3 LEU 20 HB1 LEU 20 17.428 7.354 4.562
144 HG LEU 20 HG LEU 20 17.914 9.785 4.509
145 HD11 LEU 20 HD11 LEU 20 15.147 9.880 5.637
146 HD12 LEU 20 HD12 LEU 20 15.934 10.976 4.503
147 HD13 LEU 20 HD13 LEU 20 16.313 11.065 6.224
148 HD21 LEU 20 HD21 LEU 20 18.052 10.080 7.055
149 HD22 LEU 20 HD22 LEU 20 18.829 8.644 6.388
150 HD23 LEU 20 HD23 LEU 20 17.254 8.512 7.171
151 H SER 21 HN SER 21 18.437 7.876 3.175
152 HA SER 21 HA SER 21 19.201 10.056 1.540
153 HB2 SER 21 HB2 SER 21 21.360 8.935 1.386
154 HB3 SER 21 HB1 SER 21 20.754 8.832 3.037
155 HG SER 21 HG SER 21 19.939 6.792 1.382
156 H ARG 22 HN ARG 22 17.908 6.928 0.831
157 HA ARG 22 HA ARG 22 17.492 7.545 -1.907
158 HB2 ARG 22 HB2 ARG 22 18.991 5.881 -2.922
159 HB3 ARG 22 HB1 ARG 22 19.909 7.117 -2.064
160 HG2 ARG 22 HG2 ARG 22 20.071 5.606 -0.098
161 HG3 ARG 22 HG1 ARG 22 19.211 4.360 -1.004
162 HD2 ARG 22 HD2 ARG 22 20.989 4.364 -2.710
163 HD3 ARG 22 HD1 ARG 22 21.849 5.614 -1.815
164 HE ARG 22 HE ARG 22 21.382 3.422 -0.096
165 HH11 ARG 22 HH11 ARG 22 23.090 1.983 0.320
166 HH12 ARG 22 HH12 ARG 22 24.432 1.904 -0.771
167 HH21 ARG 22 HH21 ARG 22 23.179 4.325 -2.913
168 HH22 ARG 22 HH22 ARG 22 24.484 3.229 -2.601
Start of MODEL 14
1 H GLN 1 HN GLN 1 2.372 -5.091 -6.231
2 HA GLN 1 HA GLN 1 1.085 -4.989 -4.258
3 HB2 GLN 1 HB2 GLN 1 2.809 -6.351 -3.084
4 HB3 GLN 1 HB1 GLN 1 3.734 -4.876 -2.800
5 HG2 GLN 1 HG2 GLN 1 1.886 -3.916 -1.528
6 HG3 GLN 1 HG1 GLN 1 0.885 -5.326 -1.872
7 HE21 GLN 1 HE21 GLN 1 1.160 -4.913 0.779
8 HE22 GLN 1 HE22 GLN 1 2.303 -5.959 1.471
9 H TRP 2 HN TRP 2 0.160 -3.149 -3.521
10 HA TRP 2 HA TRP 2 1.185 -0.635 -4.361
11 HB2 TRP 2 HB2 TRP 2 -1.225 -1.078 -4.145
12 HB3 TRP 2 HB1 TRP 2 -1.038 -1.255 -2.400
13 HD1 TRP 2 HD1 TRP 2 -0.954 1.354 -5.184
14 HE1 TRP 2 HE1 TRP 2 -1.101 3.701 -4.128
15 HE3 TRP 2 HE3 TRP 2 -0.563 0.125 -0.243
16 HZ2 TRP 2 HZ2 TRP 2 -1.057 4.900 -1.530
17 HZ3 TRP 2 HZ3 TRP 2 -0.618 1.888 1.498
18 HH2 TRP 2 HH2 TRP 2 -0.863 4.269 0.863
19 H CYS 3 HN CYS 3 2.422 0.822 -3.345
20 HA CYS 3 HA CYS 3 3.091 0.345 -0.499
21 HB2 CYS 3 HB2 CYS 3 4.830 1.517 -2.684
22 HB3 CYS 3 HB1 CYS 3 5.279 1.397 -0.985
23 H GLN 4 HN GLN 4 3.333 2.160 0.827
24 HA GLN 4 HA GLN 4 1.616 4.365 0.217
25 HB2 GLN 4 HB2 GLN 4 3.115 5.089 2.449
26 HB3 GLN 4 HB1 GLN 4 1.550 4.282 2.472
27 HG2 GLN 4 HG2 GLN 4 4.186 2.806 2.285
28 HG3 GLN 4 HG1 GLN 4 3.370 3.137 3.809
29 HE21 GLN 4 HE21 GLN 4 3.742 0.727 1.565
30 HE22 GLN 4 HE22 GLN 4 2.266 -0.084 1.775
31 HA PRO 5 HA PRO 5 4.499 7.198 -1.502
32 HB2 PRO 5 HB2 PRO 5 3.933 9.548 -0.171
33 HB3 PRO 5 HB1 PRO 5 2.929 8.882 -1.474
34 HG2 PRO 5 HG2 PRO 5 2.541 8.746 1.474
35 HG3 PRO 5 HG1 PRO 5 1.345 8.972 0.185
36 HD2 PRO 5 HD2 PRO 5 1.704 6.578 1.425
37 HD3 PRO 5 HD1 PRO 5 1.209 6.695 -0.275
38 H GLY 6 HN GLY 6 6.621 7.734 -1.170
39 HA2 GLY 6 HA2 GLY 6 8.520 8.438 0.031
40 HA3 GLY 6 HA1 GLY 6 7.602 8.295 1.528
41 H TYR 7 HN TYR 7 6.788 5.586 0.038
42 HA TYR 7 HA TYR 7 9.029 4.025 1.174
43 HB2 TYR 7 HB2 TYR 7 6.078 3.434 0.958
44 HB3 TYR 7 HB1 TYR 7 7.264 2.169 1.257
45 HD1 TYR 7 HD1 TYR 7 6.343 5.593 2.496
46 HD2 TYR 7 HD2 TYR 7 7.810 1.679 3.473
47 HE1 TYR 7 HE1 TYR 7 6.395 6.208 4.898
48 HE2 TYR 7 HE2 TYR 7 7.874 2.296 5.869
49 HH TYR 7 HH TYR 7 7.189 3.825 7.390
50 H ALA 8 HN ALA 8 9.934 2.396 -0.028
51 HA ALA 8 HA ALA 8 9.140 2.296 -2.876
52 HB1 ALA 8 HB1 ALA 8 11.416 3.218 -2.378
53 HB2 ALA 8 HB2 ALA 8 11.440 1.777 -3.397
54 HB3 ALA 8 HB3 ALA 8 11.844 1.654 -1.685
55 H TYR 9 HN TYR 9 8.589 0.389 -3.750
56 HA TYR 9 HA TYR 9 8.019 -1.841 -2.117
57 HB2 TYR 9 HB2 TYR 9 6.797 -1.467 -4.182
58 HB3 TYR 9 HB1 TYR 9 8.278 -1.653 -5.124
59 HD1 TYR 9 HD1 TYR 9 6.155 -3.457 -2.622
60 HD2 TYR 9 HD2 TYR 9 8.911 -3.783 -5.906
61 HE1 TYR 9 HE1 TYR 9 5.812 -5.913 -2.668
62 HE2 TYR 9 HE2 TYR 9 8.557 -6.234 -5.952
63 HH TYR 9 HH TYR 9 6.097 -7.768 -4.699
64 H ASN 10 HN ASN 10 9.202 -3.523 -1.488
65 HA ASN 10 HA ASN 10 11.887 -3.843 -2.660
66 HB2 ASN 10 HB2 ASN 10 10.901 -3.898 0.096
67 HB3 ASN 10 HB1 ASN 10 11.973 -5.235 -0.321
68 HD21 ASN 10 HD21 ASN 10 14.171 -4.799 -0.352
69 HD22 ASN 10 HD22 ASN 10 14.842 -3.246 -0.336
70 HA PRO 11 HA PRO 11 9.881 -7.730 -3.880
71 HB2 PRO 11 HB2 PRO 11 11.814 -8.588 -5.624
72 HB3 PRO 11 HB1 PRO 11 10.553 -7.423 -6.054
73 HG2 PRO 11 HG2 PRO 11 13.409 -6.979 -5.463
74 HG3 PRO 11 HG1 PRO 11 12.312 -6.080 -6.524
75 HD2 PRO 11 HD2 PRO 11 13.120 -5.276 -3.975
76 HD3 PRO 11 HD1 PRO 11 11.728 -4.624 -4.861
77 H VAL 12 HN VAL 12 13.213 -7.330 -2.859
78 HA VAL 12 HA VAL 12 13.800 -10.040 -2.292
79 HB VAL 12 HB VAL 12 14.912 -7.458 -1.178
80 HG11 VAL 12 HG11 VAL 12 16.844 -9.246 -0.670
81 HG12 VAL 12 HG12 VAL 12 15.450 -10.315 -0.515
82 HG13 VAL 12 HG13 VAL 12 15.579 -8.881 0.505
83 HG21 VAL 12 HG21 VAL 12 16.178 -9.468 -3.053
84 HG22 VAL 12 HG22 VAL 12 16.697 -7.816 -2.726
85 HG23 VAL 12 HG23 VAL 12 15.219 -8.109 -3.641
86 H LEU 13 HN LEU 13 12.527 -7.391 -0.284
87 HA LEU 13 HA LEU 13 12.242 -9.136 2.020
88 HB2 LEU 13 HB2 LEU 13 11.259 -6.300 1.606
89 HB3 LEU 13 HB1 LEU 13 11.341 -7.165 3.139
90 HG LEU 13 HG LEU 13 13.719 -6.487 1.381
91 HD11 LEU 13 HD11 LEU 13 12.424 -5.176 3.730
92 HD12 LEU 13 HD12 LEU 13 13.260 -4.451 2.356
93 HD13 LEU 13 HD13 LEU 13 14.186 -5.182 3.667
94 HD21 LEU 13 HD21 LEU 13 13.353 -8.092 3.893
95 HD22 LEU 13 HD22 LEU 13 14.832 -7.155 3.695
96 HD23 LEU 13 HD23 LEU 13 14.414 -8.397 2.517
97 H GLY 14 HN GLY 14 10.325 -8.075 -0.657
98 HA2 GLY 14 HA2 GLY 14 8.313 -8.989 -1.392
99 HA3 GLY 14 HA1 GLY 14 8.171 -9.845 0.136
100 H ILE 15 HN ILE 15 8.815 -6.672 0.899
101 HA ILE 15 HA ILE 15 5.999 -5.841 0.746
102 HB ILE 15 HB ILE 15 5.708 -5.487 3.009
103 HG12 ILE 15 HG12 ILE 15 7.660 -4.139 3.519
104 HG13 ILE 15 HG11 ILE 15 7.610 -5.475 4.661
105 HG21 ILE 15 HG21 ILE 15 6.328 -7.529 4.142
106 HG22 ILE 15 HG22 ILE 15 7.648 -7.811 3.006
107 HG23 ILE 15 HG23 ILE 15 5.974 -7.915 2.456
108 HD11 ILE 15 HD11 ILE 15 9.110 -6.646 2.781
109 HD12 ILE 15 HD12 ILE 15 9.812 -5.638 4.041
110 HD13 ILE 15 HD13 ILE 15 9.528 -4.969 2.439
111 H CYS 16 HN CYS 16 5.856 -3.492 1.751
112 HA CYS 16 HA CYS 16 7.745 -1.906 0.192
113 HB2 CYS 16 HB2 CYS 16 5.392 -0.970 1.855
114 HB3 CYS 16 HB1 CYS 16 6.242 -0.056 0.609
115 H THR 17 HN THR 17 9.338 -0.641 1.037
116 HA THR 17 HA THR 17 9.473 -0.392 3.985
117 HB THR 17 HB THR 17 11.908 -0.668 3.844
118 HG1 THR 17 HG1 THR 17 11.501 -1.440 1.160
119 HG21 THR 17 HG21 THR 17 11.648 -2.895 4.071
120 HG22 THR 17 HG22 THR 17 11.169 -3.080 2.384
121 HG23 THR 17 HG23 THR 17 9.967 -2.649 3.600
122 H ILE 18 HN ILE 18 10.581 1.452 4.781
123 HA ILE 18 HA ILE 18 10.066 3.814 3.262
124 HB ILE 18 HB ILE 18 10.036 3.471 5.841
125 HG12 ILE 18 HG12 ILE 18 11.443 5.921 4.731
126 HG13 ILE 18 HG11 ILE 18 9.706 5.651 4.608
127 HG21 ILE 18 HG21 ILE 18 12.533 2.688 5.636
128 HG22 ILE 18 HG22 ILE 18 12.048 3.683 7.009
129 HG23 ILE 18 HG23 ILE 18 12.882 4.416 5.639
130 HD11 ILE 18 HD11 ILE 18 9.381 6.346 6.719
131 HD12 ILE 18 HD12 ILE 18 11.079 6.819 6.767
132 HD13 ILE 18 HD13 ILE 18 10.596 5.219 7.326
133 H THR 19 HN THR 19 11.598 5.399 2.580
134 HA THR 19 HA THR 19 14.347 4.401 2.195
135 HB THR 19 HB THR 19 14.336 5.284 -0.085
136 HG1 THR 19 HG1 THR 19 12.188 6.547 0.814
137 HG21 THR 19 HG21 THR 19 11.819 3.712 -0.103
138 HG22 THR 19 HG22 THR 19 13.195 2.964 0.708
139 HG23 THR 19 HG23 THR 19 13.321 3.442 -0.985
140 H LEU 20 HN LEU 20 15.938 6.004 2.155
141 HA LEU 20 HA LEU 20 15.081 8.768 2.639
142 HB2 LEU 20 HB2 LEU 20 16.828 7.119 4.460
143 HB3 LEU 20 HB1 LEU 20 16.801 8.878 4.514
144 HG LEU 20 HG LEU 20 14.354 7.108 4.836
145 HD11 LEU 20 HD11 LEU 20 14.541 7.953 7.251
146 HD12 LEU 20 HD12 LEU 20 16.200 8.394 6.847
147 HD13 LEU 20 HD13 LEU 20 15.687 6.708 6.755
148 HD21 LEU 20 HD21 LEU 20 14.837 10.054 4.762
149 HD22 LEU 20 HD22 LEU 20 13.694 9.463 5.966
150 HD23 LEU 20 HD23 LEU 20 13.421 9.133 4.257
151 H SER 21 HN SER 21 16.554 10.325 1.995
152 HA SER 21 HA SER 21 18.421 9.537 -0.022
153 HB2 SER 21 HB2 SER 21 18.857 11.895 -0.272
154 HB3 SER 21 HB1 SER 21 17.127 11.686 -0.022
155 HG SER 21 HG SER 21 17.325 12.425 2.019
156 H ARG 22 HN ARG 22 20.716 10.137 -0.024
157 HA ARG 22 HA ARG 22 21.961 9.382 2.502
158 HB2 ARG 22 HB2 ARG 22 23.043 9.788 -0.291
159 HB3 ARG 22 HB1 ARG 22 24.063 9.404 1.096
160 HG2 ARG 22 HG2 ARG 22 22.780 7.345 1.489
161 HG3 ARG 22 HG1 ARG 22 21.726 7.731 0.130
162 HD2 ARG 22 HD2 ARG 22 23.643 7.638 -1.403
163 HD3 ARG 22 HD1 ARG 22 24.720 7.295 -0.052
164 HE ARG 22 HE ARG 22 23.931 5.098 -0.036
165 HH11 ARG 22 HH11 ARG 22 22.760 3.382 -0.953
166 HH12 ARG 22 HH12 ARG 22 21.525 3.710 -2.122
167 HH21 ARG 22 HH21 ARG 22 21.981 7.147 -2.030
168 HH22 ARG 22 HH22 ARG 22 21.085 5.842 -2.732
Start of MODEL 15
1 H GLN 1 HN GLN 1 0.971 -5.512 -4.007
2 HA GLN 1 HA GLN 1 3.028 -4.799 -3.237
3 HB2 GLN 1 HB2 GLN 1 3.447 -4.690 -6.231
4 HB3 GLN 1 HB1 GLN 1 4.747 -4.464 -5.059
5 HG2 GLN 1 HG2 GLN 1 4.400 -6.675 -4.145
6 HG3 GLN 1 HG1 GLN 1 2.947 -6.899 -5.118
7 HE21 GLN 1 HE21 GLN 1 5.455 -8.536 -5.168
8 HE22 GLN 1 HE22 GLN 1 6.019 -8.451 -6.766
9 H TRP 2 HN TRP 2 0.859 -2.812 -3.849
10 HA TRP 2 HA TRP 2 2.077 -0.397 -4.750
11 HB2 TRP 2 HB2 TRP 2 -0.343 -0.737 -4.854
12 HB3 TRP 2 HB1 TRP 2 -0.418 -0.850 -3.096
13 HD1 TRP 2 HD1 TRP 2 0.242 1.654 -5.916
14 HE1 TRP 2 HE1 TRP 2 -0.048 4.039 -4.979
15 HE3 TRP 2 HE3 TRP 2 -0.376 0.588 -0.959
16 HZ2 TRP 2 HZ2 TRP 2 -0.490 5.323 -2.461
17 HZ3 TRP 2 HZ3 TRP 2 -0.733 2.408 0.684
18 HH2 TRP 2 HH2 TRP 2 -0.790 4.772 -0.059
19 H CYS 3 HN CYS 3 3.211 1.109 -3.678
20 HA CYS 3 HA CYS 3 3.511 0.794 -0.746
21 HB2 CYS 3 HB2 CYS 3 5.505 1.902 -2.738
22 HB3 CYS 3 HB1 CYS 3 5.752 1.769 -1.000
23 H GLN 4 HN GLN 4 3.208 2.543 0.523
24 HA GLN 4 HA GLN 4 1.828 4.792 -0.554
25 HB2 GLN 4 HB2 GLN 4 1.863 5.602 1.814
26 HB3 GLN 4 HB1 GLN 4 1.252 3.970 1.645
27 HG2 GLN 4 HG2 GLN 4 4.161 4.438 2.203
28 HG3 GLN 4 HG1 GLN 4 2.991 4.461 3.515
29 HE21 GLN 4 HE21 GLN 4 5.142 2.430 2.968
30 HE22 GLN 4 HE22 GLN 4 4.331 0.947 2.821
31 HA PRO 5 HA PRO 5 5.097 7.690 -1.394
32 HB2 PRO 5 HB2 PRO 5 3.834 9.585 0.549
33 HB3 PRO 5 HB1 PRO 5 4.324 9.859 -1.135
34 HG2 PRO 5 HG2 PRO 5 1.780 9.572 -0.531
35 HG3 PRO 5 HG1 PRO 5 2.448 8.813 -1.989
36 HD2 PRO 5 HD2 PRO 5 1.723 7.546 0.632
37 HD3 PRO 5 HD1 PRO 5 1.530 6.923 -1.022
38 H GLY 6 HN GLY 6 7.127 8.045 -0.576
39 HA2 GLY 6 HA2 GLY 6 8.753 8.514 1.064
40 HA3 GLY 6 HA1 GLY 6 7.542 8.240 2.314
41 H TYR 7 HN TYR 7 6.979 5.746 0.413
42 HA TYR 7 HA TYR 7 9.006 4.006 1.688
43 HB2 TYR 7 HB2 TYR 7 6.079 3.527 1.121
44 HB3 TYR 7 HB1 TYR 7 7.202 2.218 1.467
45 HD1 TYR 7 HD1 TYR 7 6.074 5.533 2.828
46 HD2 TYR 7 HD2 TYR 7 7.620 1.620 3.686
47 HE1 TYR 7 HE1 TYR 7 5.874 5.982 5.259
48 HE2 TYR 7 HE2 TYR 7 7.434 2.071 6.111
49 HH TYR 7 HH TYR 7 6.344 5.241 7.309
50 H ALA 8 HN ALA 8 10.033 2.520 0.441
51 HA ALA 8 HA ALA 8 9.462 2.602 -2.462
52 HB1 ALA 8 HB1 ALA 8 11.649 3.520 -1.975
53 HB2 ALA 8 HB2 ALA 8 11.858 1.941 -2.732
54 HB3 ALA 8 HB3 ALA 8 12.060 2.117 -0.988
55 H TYR 9 HN TYR 9 9.008 0.744 -3.490
56 HA TYR 9 HA TYR 9 8.331 -1.578 -2.044
57 HB2 TYR 9 HB2 TYR 9 7.315 -1.070 -4.208
58 HB3 TYR 9 HB1 TYR 9 8.879 -1.261 -5.003
59 HD1 TYR 9 HD1 TYR 9 6.451 -3.084 -2.816
60 HD2 TYR 9 HD2 TYR 9 9.574 -3.389 -5.757
61 HE1 TYR 9 HE1 TYR 9 6.064 -5.525 -2.975
62 HE2 TYR 9 HE2 TYR 9 9.177 -5.829 -5.917
63 HH TYR 9 HH TYR 9 7.192 -7.406 -5.465
64 H ASN 10 HN ASN 10 9.455 -3.306 -1.431
65 HA ASN 10 HA ASN 10 12.240 -3.548 -2.366
66 HB2 ASN 10 HB2 ASN 10 11.028 -3.730 0.285
67 HB3 ASN 10 HB1 ASN 10 12.094 -5.080 -0.103
68 HD21 ASN 10 HD21 ASN 10 14.298 -4.713 0.070
69 HD22 ASN 10 HD22 ASN 10 15.010 -3.184 0.222
70 HA PRO 11 HA PRO 11 10.367 -7.354 -3.985
71 HB2 PRO 11 HB2 PRO 11 12.448 -8.116 -5.593
72 HB3 PRO 11 HB1 PRO 11 11.239 -6.911 -6.063
73 HG2 PRO 11 HG2 PRO 11 14.027 -6.538 -5.164
74 HG3 PRO 11 HG1 PRO 11 13.053 -5.574 -6.287
75 HD2 PRO 11 HD2 PRO 11 13.591 -4.900 -3.636
76 HD3 PRO 11 HD1 PRO 11 12.285 -4.209 -4.618
77 H VAL 12 HN VAL 12 13.586 -7.030 -2.621
78 HA VAL 12 HA VAL 12 14.113 -9.777 -2.168
79 HB VAL 12 HB VAL 12 15.121 -7.276 -0.801
80 HG11 VAL 12 HG11 VAL 12 16.990 -9.098 -0.207
81 HG12 VAL 12 HG12 VAL 12 15.596 -10.177 -0.272
82 HG13 VAL 12 HG13 VAL 12 15.605 -8.816 0.849
83 HG21 VAL 12 HG21 VAL 12 15.683 -7.726 -3.237
84 HG22 VAL 12 HG22 VAL 12 16.507 -9.190 -2.700
85 HG23 VAL 12 HG23 VAL 12 17.078 -7.610 -2.165
86 H LEU 13 HN LEU 13 12.658 -7.244 -0.138
87 HA LEU 13 HA LEU 13 12.150 -9.123 2.018
88 HB2 LEU 13 HB2 LEU 13 11.220 -6.258 1.687
89 HB3 LEU 13 HB1 LEU 13 11.161 -7.214 3.166
90 HG LEU 13 HG LEU 13 13.689 -6.454 1.673
91 HD11 LEU 13 HD11 LEU 13 13.915 -5.316 4.110
92 HD12 LEU 13 HD12 LEU 13 12.165 -5.238 3.918
93 HD13 LEU 13 HD13 LEU 13 13.218 -4.475 2.726
94 HD21 LEU 13 HD21 LEU 13 14.590 -7.265 4.033
95 HD22 LEU 13 HD22 LEU 13 14.269 -8.434 2.752
96 HD23 LEU 13 HD23 LEU 13 13.093 -8.197 4.044
97 H GLY 14 HN GLY 14 10.510 -7.878 -0.761
98 HA2 GLY 14 HA2 GLY 14 8.574 -8.713 -1.745
99 HA3 GLY 14 HA1 GLY 14 8.279 -9.670 -0.301
100 H ILE 15 HN ILE 15 8.861 -6.560 0.735
101 HA ILE 15 HA ILE 15 6.075 -5.694 0.371
102 HB ILE 15 HB ILE 15 5.569 -5.490 2.613
103 HG12 ILE 15 HG12 ILE 15 7.465 -4.195 3.396
104 HG13 ILE 15 HG11 ILE 15 7.306 -5.605 4.435
105 HG21 ILE 15 HG21 ILE 15 7.494 -7.829 2.592
106 HG22 ILE 15 HG22 ILE 15 5.851 -7.872 1.951
107 HG23 ILE 15 HG23 ILE 15 6.118 -7.609 3.674
108 HD11 ILE 15 HD11 ILE 15 8.977 -6.655 2.627
109 HD12 ILE 15 HD12 ILE 15 9.557 -5.741 4.015
110 HD13 ILE 15 HD13 ILE 15 9.428 -4.962 2.443
111 H CYS 16 HN CYS 16 5.843 -3.421 1.528
112 HA CYS 16 HA CYS 16 7.840 -1.732 0.243
113 HB2 CYS 16 HB2 CYS 16 5.347 -0.979 1.793
114 HB3 CYS 16 HB1 CYS 16 6.317 0.103 0.796
115 H THR 17 HN THR 17 9.340 -0.489 1.286
116 HA THR 17 HA THR 17 9.308 -0.490 4.245
117 HB THR 17 HB THR 17 11.758 -0.704 4.221
118 HG1 THR 17 HG1 THR 17 11.550 -1.355 1.491
119 HG21 THR 17 HG21 THR 17 11.193 -3.035 2.589
120 HG22 THR 17 HG22 THR 17 9.857 -2.695 3.691
121 HG23 THR 17 HG23 THR 17 11.485 -2.934 4.325
122 H ILE 18 HN ILE 18 10.328 1.305 5.248
123 HA ILE 18 HA ILE 18 9.871 3.766 3.853
124 HB ILE 18 HB ILE 18 9.624 3.210 6.401
125 HG12 ILE 18 HG12 ILE 18 10.948 5.810 5.562
126 HG13 ILE 18 HG11 ILE 18 9.244 5.446 5.301
127 HG21 ILE 18 HG21 ILE 18 11.525 3.515 7.751
128 HG22 ILE 18 HG22 ILE 18 12.430 4.307 6.460
129 HG23 ILE 18 HG23 ILE 18 12.148 2.567 6.400
130 HD11 ILE 18 HD11 ILE 18 9.431 6.721 7.349
131 HD12 ILE 18 HD12 ILE 18 10.670 5.629 7.966
132 HD13 ILE 18 HD13 ILE 18 9.013 5.060 7.770
133 H THR 19 HN THR 19 11.397 5.399 3.388
134 HA THR 19 HA THR 19 14.209 4.508 3.241
135 HB THR 19 HB THR 19 14.394 5.566 1.037
136 HG1 THR 19 HG1 THR 19 12.896 7.100 0.948
137 HG21 THR 19 HG21 THR 19 11.981 3.891 0.642
138 HG22 THR 19 HG22 THR 19 13.289 3.148 1.563
139 HG23 THR 19 HG23 THR 19 13.587 3.740 -0.071
140 H LEU 20 HN LEU 20 15.756 6.219 3.241
141 HA LEU 20 HA LEU 20 14.728 8.752 4.373
142 HB2 LEU 20 HB2 LEU 20 15.906 7.387 6.047
143 HB3 LEU 20 HB1 LEU 20 17.319 7.315 4.999
144 HG LEU 20 HG LEU 20 17.530 9.782 5.117
145 HD11 LEU 20 HD11 LEU 20 16.079 10.732 7.140
146 HD12 LEU 20 HD12 LEU 20 14.974 9.453 6.637
147 HD13 LEU 20 HD13 LEU 20 15.444 10.712 5.494
148 HD21 LEU 20 HD21 LEU 20 18.898 9.168 6.808
149 HD22 LEU 20 HD22 LEU 20 17.770 7.934 7.366
150 HD23 LEU 20 HD23 LEU 20 17.581 9.605 7.896
151 H SER 21 HN SER 21 17.162 7.204 2.344
152 HA SER 21 HA SER 21 17.370 9.622 0.738
153 HB2 SER 21 HB2 SER 21 19.785 9.796 0.921
154 HB3 SER 21 HB1 SER 21 19.076 9.923 2.528
155 HG SER 21 HG SER 21 20.150 8.206 3.051
156 H ARG 22 HN ARG 22 18.618 9.241 -1.254
157 HA ARG 22 HA ARG 22 18.267 6.465 -2.148
158 HB2 ARG 22 HB2 ARG 22 17.211 8.316 -3.445
159 HB3 ARG 22 HB1 ARG 22 18.822 8.943 -3.793
160 HG2 ARG 22 HG2 ARG 22 19.426 6.829 -4.893
161 HG3 ARG 22 HG1 ARG 22 17.833 6.170 -4.520
162 HD2 ARG 22 HD2 ARG 22 16.788 7.980 -5.851
163 HD3 ARG 22 HD1 ARG 22 18.390 8.595 -6.251
164 HE ARG 22 HE ARG 22 17.112 6.236 -7.365
165 HH11 ARG 22 HH11 ARG 22 18.259 5.238 -9.053
166 HH12 ARG 22 HH12 ARG 22 19.910 5.670 -9.343
167 HH21 ARG 22 HH21 ARG 22 20.040 7.976 -6.757
168 HH22 ARG 22 HH22 ARG 22 20.919 7.219 -8.043
Start of MODEL 16
1 H GLN 1 HN GLN 1 -0.811 -5.115 -4.976
2 HA GLN 1 HA GLN 1 -0.366 -4.389 -2.821
3 HB2 GLN 1 HB2 GLN 1 2.466 -4.626 -3.865
4 HB3 GLN 1 HB1 GLN 1 1.984 -4.631 -2.168
5 HG2 GLN 1 HG2 GLN 1 2.196 -6.922 -2.709
6 HG3 GLN 1 HG1 GLN 1 0.463 -6.616 -2.799
7 HE21 GLN 1 HE21 GLN 1 -0.210 -7.976 -4.496
8 HE22 GLN 1 HE22 GLN 1 0.469 -7.961 -6.052
9 H TRP 2 HN TRP 2 -1.216 -2.307 -2.855
10 HA TRP 2 HA TRP 2 0.155 -0.045 -3.902
11 HB2 TRP 2 HB2 TRP 2 -2.268 -0.045 -3.550
12 HB3 TRP 2 HB1 TRP 2 -2.028 -0.215 -1.812
13 HD1 TRP 2 HD1 TRP 2 -1.580 2.286 -4.671
14 HE1 TRP 2 HE1 TRP 2 -1.320 4.647 -3.666
15 HE3 TRP 2 HE3 TRP 2 -1.329 1.110 0.291
16 HZ2 TRP 2 HZ2 TRP 2 -1.046 5.873 -1.096
17 HZ3 TRP 2 HZ3 TRP 2 -1.071 2.891 1.995
18 HH2 TRP 2 HH2 TRP 2 -0.928 5.268 1.309
19 H CYS 3 HN CYS 3 1.740 1.143 -3.071
20 HA CYS 3 HA CYS 3 2.411 0.811 -0.211
21 HB2 CYS 3 HB2 CYS 3 4.272 1.149 -2.577
22 HB3 CYS 3 HB1 CYS 3 4.802 1.184 -0.888
23 H GLN 4 HN GLN 4 2.402 2.587 0.957
24 HA GLN 4 HA GLN 4 1.464 5.040 0.113
25 HB2 GLN 4 HB2 GLN 4 2.674 5.876 2.271
26 HB3 GLN 4 HB1 GLN 4 1.390 4.685 2.429
27 HG2 GLN 4 HG2 GLN 4 4.236 3.789 2.080
28 HG3 GLN 4 HG1 GLN 4 3.673 4.311 3.665
29 HE21 GLN 4 HE21 GLN 4 4.440 1.545 2.798
30 HE22 GLN 4 HE22 GLN 4 3.067 0.586 3.079
31 HA PRO 5 HA PRO 5 4.847 7.012 -1.907
32 HB2 PRO 5 HB2 PRO 5 4.603 9.614 -1.015
33 HB3 PRO 5 HB1 PRO 5 3.592 8.898 -2.285
34 HG2 PRO 5 HG2 PRO 5 2.993 9.324 0.599
35 HG3 PRO 5 HG1 PRO 5 1.940 9.510 -0.815
36 HD2 PRO 5 HD2 PRO 5 1.800 7.341 0.803
37 HD3 PRO 5 HD1 PRO 5 1.471 7.229 -0.934
38 H GLY 6 HN GLY 6 6.998 7.569 -1.541
39 HA2 GLY 6 HA2 GLY 6 8.868 8.240 -0.259
40 HA3 GLY 6 HA1 GLY 6 7.874 8.152 1.195
41 H TYR 7 HN TYR 7 6.989 5.469 -0.291
42 HA TYR 7 HA TYR 7 9.101 3.821 0.958
43 HB2 TYR 7 HB2 TYR 7 6.156 3.321 0.510
44 HB3 TYR 7 HB1 TYR 7 7.285 2.042 0.926
45 HD1 TYR 7 HD1 TYR 7 6.261 5.470 2.054
46 HD2 TYR 7 HD2 TYR 7 7.692 1.578 3.176
47 HE1 TYR 7 HE1 TYR 7 6.105 6.101 4.447
48 HE2 TYR 7 HE2 TYR 7 7.546 2.212 5.566
49 HH TYR 7 HH TYR 7 7.479 5.116 6.699
50 H ALA 8 HN ALA 8 9.933 2.072 -0.195
51 HA ALA 8 HA ALA 8 9.231 1.975 -3.070
52 HB1 ALA 8 HB1 ALA 8 11.428 3.100 -2.596
53 HB2 ALA 8 HB2 ALA 8 11.549 1.672 -3.624
54 HB3 ALA 8 HB3 ALA 8 11.998 1.574 -1.920
55 H TYR 9 HN TYR 9 8.887 0.030 -3.932
56 HA TYR 9 HA TYR 9 8.442 -2.232 -2.335
57 HB2 TYR 9 HB2 TYR 9 7.363 -1.932 -4.510
58 HB3 TYR 9 HB1 TYR 9 8.927 -2.086 -5.314
59 HD1 TYR 9 HD1 TYR 9 6.496 -3.878 -3.134
60 HD2 TYR 9 HD2 TYR 9 9.882 -4.232 -5.763
61 HE1 TYR 9 HE1 TYR 9 6.251 -6.344 -3.119
62 HE2 TYR 9 HE2 TYR 9 9.628 -6.697 -5.747
63 HH TYR 9 HH TYR 9 7.122 -8.290 -5.075
64 H ASN 10 HN ASN 10 9.691 -3.818 -1.620
65 HA ASN 10 HA ASN 10 12.470 -3.941 -2.587
66 HB2 ASN 10 HB2 ASN 10 11.372 -3.864 0.069
67 HB3 ASN 10 HB1 ASN 10 12.274 -5.357 -0.176
68 HD21 ASN 10 HD21 ASN 10 14.475 -5.189 0.135
69 HD22 ASN 10 HD22 ASN 10 15.364 -3.752 0.025
70 HA PRO 11 HA PRO 11 10.817 -7.931 -3.966
71 HB2 PRO 11 HB2 PRO 11 12.995 -8.734 -5.430
72 HB3 PRO 11 HB1 PRO 11 11.747 -7.632 -6.038
73 HG2 PRO 11 HG2 PRO 11 14.481 -7.048 -5.084
74 HG3 PRO 11 HG1 PRO 11 13.500 -6.226 -6.308
75 HD2 PRO 11 HD2 PRO 11 13.919 -5.313 -3.713
76 HD3 PRO 11 HD1 PRO 11 12.603 -4.780 -4.779
77 H VAL 12 HN VAL 12 13.934 -7.391 -2.458
78 HA VAL 12 HA VAL 12 14.550 -10.078 -1.804
79 HB VAL 12 HB VAL 12 15.337 -7.457 -0.515
80 HG11 VAL 12 HG11 VAL 12 15.954 -10.304 0.185
81 HG12 VAL 12 HG12 VAL 12 15.722 -8.916 1.249
82 HG13 VAL 12 HG13 VAL 12 17.231 -9.100 0.354
83 HG21 VAL 12 HG21 VAL 12 17.188 -7.518 -1.891
84 HG22 VAL 12 HG22 VAL 12 16.055 -8.379 -2.933
85 HG23 VAL 12 HG23 VAL 12 17.212 -9.280 -1.955
86 H LEU 13 HN LEU 13 12.851 -7.503 -0.038
87 HA LEU 13 HA LEU 13 12.214 -9.293 2.167
88 HB2 LEU 13 HB2 LEU 13 11.311 -6.452 1.622
89 HB3 LEU 13 HB1 LEU 13 11.089 -7.336 3.129
90 HG LEU 13 HG LEU 13 13.760 -6.643 1.871
91 HD11 LEU 13 HD11 LEU 13 11.966 -5.211 3.666
92 HD12 LEU 13 HD12 LEU 13 13.428 -4.643 2.859
93 HD13 LEU 13 HD13 LEU 13 13.544 -5.485 4.404
94 HD21 LEU 13 HD21 LEU 13 14.402 -7.336 4.358
95 HD22 LEU 13 HD22 LEU 13 14.239 -8.560 3.099
96 HD23 LEU 13 HD23 LEU 13 12.922 -8.286 4.238
97 H GLY 14 HN GLY 14 10.774 -8.150 -0.768
98 HA2 GLY 14 HA2 GLY 14 8.896 -8.993 -1.857
99 HA3 GLY 14 HA1 GLY 14 8.517 -9.936 -0.419
100 H ILE 15 HN ILE 15 9.128 -6.884 0.639
101 HA ILE 15 HA ILE 15 6.379 -5.919 0.216
102 HB ILE 15 HB ILE 15 6.338 -5.235 2.650
103 HG12 ILE 15 HG12 ILE 15 7.820 -6.670 4.133
104 HG13 ILE 15 HG11 ILE 15 8.738 -7.099 2.693
105 HG21 ILE 15 HG21 ILE 15 5.678 -7.484 3.411
106 HG22 ILE 15 HG22 ILE 15 6.492 -8.195 2.017
107 HG23 ILE 15 HG23 ILE 15 5.081 -7.164 1.783
108 HD11 ILE 15 HD11 ILE 15 9.689 -5.009 2.512
109 HD12 ILE 15 HD12 ILE 15 9.429 -5.033 4.254
110 HD13 ILE 15 HD13 ILE 15 8.292 -4.188 3.207
111 H CYS 16 HN CYS 16 6.177 -3.594 1.092
112 HA CYS 16 HA CYS 16 8.404 -2.088 -0.032
113 HB2 CYS 16 HB2 CYS 16 5.655 -1.264 0.911
114 HB3 CYS 16 HB1 CYS 16 6.862 -0.130 0.320
115 H THR 17 HN THR 17 9.695 -0.680 1.037
116 HA THR 17 HA THR 17 9.352 -0.452 3.964
117 HB THR 17 HB THR 17 11.788 -0.623 4.219
118 HG1 THR 17 HG1 THR 17 11.616 -0.552 1.473
119 HG21 THR 17 HG21 THR 17 11.650 -2.874 4.368
120 HG22 THR 17 HG22 THR 17 11.360 -3.051 2.637
121 HG23 THR 17 HG23 THR 17 10.020 -2.686 3.724
122 H ILE 18 HN ILE 18 10.326 1.459 4.889
123 HA ILE 18 HA ILE 18 9.867 3.781 3.304
124 HB ILE 18 HB ILE 18 9.670 3.472 5.880
125 HG12 ILE 18 HG12 ILE 18 11.080 5.955 4.850
126 HG13 ILE 18 HG11 ILE 18 9.368 5.627 4.583
127 HG21 ILE 18 HG21 ILE 18 11.603 3.829 7.176
128 HG22 ILE 18 HG22 ILE 18 12.513 4.473 5.810
129 HG23 ILE 18 HG23 ILE 18 12.169 2.745 5.904
130 HD11 ILE 18 HD11 ILE 18 10.046 5.248 7.373
131 HD12 ILE 18 HD12 ILE 18 8.842 6.319 6.656
132 HD13 ILE 18 HD13 ILE 18 10.511 6.862 6.835
133 H THR 19 HN THR 19 11.329 5.311 2.532
134 HA THR 19 HA THR 19 14.166 4.477 2.460
135 HB THR 19 HB THR 19 14.291 5.279 0.147
136 HG1 THR 19 HG1 THR 19 11.478 5.549 0.309
137 HG21 THR 19 HG21 THR 19 13.436 3.350 -0.780
138 HG22 THR 19 HG22 THR 19 11.910 3.481 0.095
139 HG23 THR 19 HG23 THR 19 13.356 2.902 0.924
140 H LEU 20 HN LEU 20 15.687 6.191 2.304
141 HA LEU 20 HA LEU 20 14.661 8.901 2.683
142 HB2 LEU 20 HB2 LEU 20 16.465 9.148 4.529
143 HB3 LEU 20 HB1 LEU 20 14.920 8.428 4.940
144 HG LEU 20 HG LEU 20 16.921 7.209 5.866
145 HD11 LEU 20 HD11 LEU 20 14.581 6.162 4.893
146 HD12 LEU 20 HD12 LEU 20 15.784 5.257 5.803
147 HD13 LEU 20 HD13 LEU 20 15.787 5.193 4.044
148 HD21 LEU 20 HD21 LEU 20 18.300 7.611 3.754
149 HD22 LEU 20 HD22 LEU 20 17.387 6.288 3.027
150 HD23 LEU 20 HD23 LEU 20 18.387 5.993 4.445
151 H SER 21 HN SER 21 16.538 10.505 2.735
152 HA SER 21 HA SER 21 18.072 10.129 0.351
153 HB2 SER 21 HB2 SER 21 18.189 12.287 2.468
154 HB3 SER 21 HB1 SER 21 19.043 12.342 0.929
155 HG SER 21 HG SER 21 16.858 11.972 0.002
156 H ARG 22 HN ARG 22 20.316 9.954 0.121
157 HA ARG 22 HA ARG 22 22.321 8.912 0.613
158 HB2 ARG 22 HB2 ARG 22 21.990 10.704 3.031
159 HB3 ARG 22 HB1 ARG 22 23.503 9.953 2.525
160 HG2 ARG 22 HG2 ARG 22 23.430 11.145 0.396
161 HG3 ARG 22 HG1 ARG 22 21.857 11.830 0.804
162 HD2 ARG 22 HD2 ARG 22 23.564 13.493 1.268
163 HD3 ARG 22 HD1 ARG 22 22.906 12.921 2.797
164 HE ARG 22 HE ARG 22 25.188 11.384 2.071
165 HH11 ARG 22 HH11 ARG 22 27.125 11.786 3.188
166 HH12 ARG 22 HH12 ARG 22 27.325 13.271 4.058
167 HH21 ARG 22 HH21 ARG 22 24.188 14.490 3.221
168 HH22 ARG 22 HH22 ARG 22 25.663 14.802 4.075
Start of MODEL 17
1 H GLN 1 HN GLN 1 1.258 -5.639 -5.805
2 HA GLN 1 HA GLN 1 1.106 -5.160 -3.555
3 HB2 GLN 1 HB2 GLN 1 3.437 -6.317 -3.665
4 HB3 GLN 1 HB1 GLN 1 4.073 -4.684 -3.486
5 HG2 GLN 1 HG2 GLN 1 3.891 -5.636 -1.278
6 HG3 GLN 1 HG1 GLN 1 2.626 -4.422 -1.442
7 HE21 GLN 1 HE21 GLN 1 3.013 -7.952 -2.144
8 HE22 GLN 1 HE22 GLN 1 1.486 -8.379 -1.538
9 H TRP 2 HN TRP 2 0.054 -3.273 -3.365
10 HA TRP 2 HA TRP 2 1.050 -0.769 -4.268
11 HB2 TRP 2 HB2 TRP 2 -1.353 -1.221 -4.023
12 HB3 TRP 2 HB1 TRP 2 -1.150 -1.372 -2.278
13 HD1 TRP 2 HD1 TRP 2 -1.114 1.199 -5.097
14 HE1 TRP 2 HE1 TRP 2 -1.272 3.560 -4.072
15 HE3 TRP 2 HE3 TRP 2 -0.661 0.041 -0.144
16 HZ2 TRP 2 HZ2 TRP 2 -1.213 4.793 -1.491
17 HZ3 TRP 2 HZ3 TRP 2 -0.715 1.827 1.574
18 HH2 TRP 2 HH2 TRP 2 -0.988 4.198 0.909
19 H CYS 3 HN CYS 3 2.279 0.724 -3.289
20 HA CYS 3 HA CYS 3 2.990 0.296 -0.445
21 HB2 CYS 3 HB2 CYS 3 4.681 1.475 -2.665
22 HB3 CYS 3 HB1 CYS 3 5.155 1.373 -0.971
23 H GLN 4 HN GLN 4 3.246 2.142 0.849
24 HA GLN 4 HA GLN 4 1.477 4.310 0.237
25 HB2 GLN 4 HB2 GLN 4 2.982 5.077 2.449
26 HB3 GLN 4 HB1 GLN 4 1.430 4.243 2.493
27 HG2 GLN 4 HG2 GLN 4 4.094 2.814 2.296
28 HG3 GLN 4 HG1 GLN 4 3.281 3.141 3.825
29 HE21 GLN 4 HE21 GLN 4 3.681 0.726 1.590
30 HE22 GLN 4 HE22 GLN 4 2.224 -0.115 1.820
31 HA PRO 5 HA PRO 5 4.300 7.174 -1.530
32 HB2 PRO 5 HB2 PRO 5 3.715 9.523 -0.208
33 HB3 PRO 5 HB1 PRO 5 2.713 8.838 -1.500
34 HG2 PRO 5 HG2 PRO 5 2.338 8.717 1.449
35 HG3 PRO 5 HG1 PRO 5 1.136 8.913 0.163
36 HD2 PRO 5 HD2 PRO 5 1.539 6.535 1.424
37 HD3 PRO 5 HD1 PRO 5 1.030 6.630 -0.272
38 H GLY 6 HN GLY 6 6.416 7.746 -1.222
39 HA2 GLY 6 HA2 GLY 6 8.316 8.486 -0.041
40 HA3 GLY 6 HA1 GLY 6 7.414 8.331 1.466
41 H TYR 7 HN TYR 7 6.631 5.607 -0.015
42 HA TYR 7 HA TYR 7 8.911 4.085 1.094
43 HB2 TYR 7 HB2 TYR 7 5.968 3.442 0.922
44 HB3 TYR 7 HB1 TYR 7 7.179 2.202 1.211
45 HD1 TYR 7 HD1 TYR 7 6.200 5.608 2.451
46 HD2 TYR 7 HD2 TYR 7 7.770 1.733 3.421
47 HE1 TYR 7 HE1 TYR 7 6.263 6.231 4.851
48 HE2 TYR 7 HE2 TYR 7 7.845 2.356 5.815
49 HH TYR 7 HH TYR 7 6.247 4.453 7.212
50 H ALA 8 HN ALA 8 9.816 2.458 -0.121
51 HA ALA 8 HA ALA 8 8.960 2.328 -2.952
52 HB1 ALA 8 HB1 ALA 8 11.709 1.921 -1.750
53 HB2 ALA 8 HB2 ALA 8 11.179 3.323 -2.679
54 HB3 ALA 8 HB3 ALA 8 11.307 1.746 -3.459
55 H TYR 9 HN TYR 9 8.451 0.397 -3.799
56 HA TYR 9 HA TYR 9 7.991 -1.838 -2.141
57 HB2 TYR 9 HB2 TYR 9 6.716 -1.520 -4.182
58 HB3 TYR 9 HB1 TYR 9 8.182 -1.669 -5.152
59 HD1 TYR 9 HD1 TYR 9 6.149 -3.514 -2.607
60 HD2 TYR 9 HD2 TYR 9 8.887 -3.789 -5.910
61 HE1 TYR 9 HE1 TYR 9 5.884 -5.978 -2.624
62 HE2 TYR 9 HE2 TYR 9 8.612 -6.249 -5.926
63 HH TYR 9 HH TYR 9 7.601 -7.994 -5.015
64 H ASN 10 HN ASN 10 9.226 -3.488 -1.535
65 HA ASN 10 HA ASN 10 11.896 -3.738 -2.756
66 HB2 ASN 10 HB2 ASN 10 10.977 -3.772 0.019
67 HB3 ASN 10 HB1 ASN 10 12.055 -5.104 -0.400
68 HD21 ASN 10 HD21 ASN 10 14.245 -4.644 -0.460
69 HD22 ASN 10 HD22 ASN 10 14.898 -3.082 -0.493
70 HA PRO 11 HA PRO 11 9.971 -7.688 -3.897
71 HB2 PRO 11 HB2 PRO 11 11.920 -8.530 -5.636
72 HB3 PRO 11 HB1 PRO 11 10.618 -7.415 -6.079
73 HG2 PRO 11 HG2 PRO 11 13.463 -6.870 -5.535
74 HG3 PRO 11 HG1 PRO 11 12.321 -6.022 -6.590
75 HD2 PRO 11 HD2 PRO 11 13.147 -5.158 -4.064
76 HD3 PRO 11 HD1 PRO 11 11.727 -4.558 -4.940
77 H VAL 12 HN VAL 12 13.311 -7.217 -2.909
78 HA VAL 12 HA VAL 12 13.932 -9.914 -2.304
79 HB VAL 12 HB VAL 12 15.036 -7.304 -1.251
80 HG11 VAL 12 HG11 VAL 12 15.777 -8.664 0.440
81 HG12 VAL 12 HG12 VAL 12 16.984 -9.111 -0.765
82 HG13 VAL 12 HG13 VAL 12 15.571 -10.135 -0.512
83 HG21 VAL 12 HG21 VAL 12 16.162 -9.354 -3.185
84 HG22 VAL 12 HG22 VAL 12 16.881 -7.798 -2.768
85 HG23 VAL 12 HG23 VAL 12 15.369 -7.857 -3.675
86 H LEU 13 HN LEU 13 12.668 -7.245 -0.317
87 HA LEU 13 HA LEU 13 12.445 -8.939 2.024
88 HB2 LEU 13 HB2 LEU 13 11.380 -6.144 1.544
89 HB3 LEU 13 HB1 LEU 13 11.493 -6.963 3.099
90 HG LEU 13 HG LEU 13 13.846 -6.286 1.307
91 HD11 LEU 13 HD11 LEU 13 14.255 -4.912 3.596
92 HD12 LEU 13 HD12 LEU 13 12.492 -4.892 3.558
93 HD13 LEU 13 HD13 LEU 13 13.411 -4.226 2.209
94 HD21 LEU 13 HD21 LEU 13 14.982 -6.839 3.640
95 HD22 LEU 13 HD22 LEU 13 14.594 -8.134 2.509
96 HD23 LEU 13 HD23 LEU 13 13.528 -7.808 3.875
97 H GLY 14 HN GLY 14 10.459 -7.983 -0.645
98 HA2 GLY 14 HA2 GLY 14 8.468 -8.973 -1.336
99 HA3 GLY 14 HA1 GLY 14 8.371 -9.805 0.209
100 H ILE 15 HN ILE 15 8.929 -6.601 0.916
101 HA ILE 15 HA ILE 15 6.094 -5.846 0.762
102 HB ILE 15 HB ILE 15 5.791 -5.476 3.024
103 HG12 ILE 15 HG12 ILE 15 7.729 -4.105 3.532
104 HG13 ILE 15 HG11 ILE 15 7.690 -5.438 4.678
105 HG21 ILE 15 HG21 ILE 15 6.375 -7.516 4.137
106 HG22 ILE 15 HG22 ILE 15 7.769 -7.763 3.087
107 HG23 ILE 15 HG23 ILE 15 6.137 -7.910 2.436
108 HD11 ILE 15 HD11 ILE 15 9.598 -4.930 2.441
109 HD12 ILE 15 HD12 ILE 15 9.213 -6.606 2.827
110 HD13 ILE 15 HD13 ILE 15 9.900 -5.553 4.060
111 H CYS 16 HN CYS 16 5.878 -3.498 1.737
112 HA CYS 16 HA CYS 16 7.709 -1.866 0.167
113 HB2 CYS 16 HB2 CYS 16 5.375 -0.981 1.882
114 HB3 CYS 16 HB1 CYS 16 6.176 -0.051 0.616
115 H THR 17 HN THR 17 9.288 -0.566 0.978
116 HA THR 17 HA THR 17 9.482 -0.308 3.920
117 HB THR 17 HB THR 17 11.921 -0.540 3.727
118 HG1 THR 17 HG1 THR 17 12.828 -0.537 1.843
119 HG21 THR 17 HG21 THR 17 9.985 -2.557 3.489
120 HG22 THR 17 HG22 THR 17 11.652 -2.751 4.032
121 HG23 THR 17 HG23 THR 17 11.246 -2.987 2.332
122 H ILE 18 HN ILE 18 10.598 1.554 4.681
123 HA ILE 18 HA ILE 18 10.013 3.903 3.151
124 HB ILE 18 HB ILE 18 10.019 3.555 5.743
125 HG12 ILE 18 HG12 ILE 18 11.291 6.057 4.588
126 HG13 ILE 18 HG11 ILE 18 9.566 5.709 4.507
127 HG21 ILE 18 HG21 ILE 18 12.049 3.925 6.872
128 HG22 ILE 18 HG22 ILE 18 12.830 4.597 5.440
129 HG23 ILE 18 HG23 ILE 18 12.521 2.863 5.545
130 HD11 ILE 18 HD11 ILE 18 9.268 6.434 6.611
131 HD12 ILE 18 HD12 ILE 18 10.959 6.935 6.635
132 HD13 ILE 18 HD13 ILE 18 10.507 5.328 7.207
133 H THR 19 HN THR 19 11.515 5.521 2.488
134 HA THR 19 HA THR 19 14.271 4.540 2.047
135 HB THR 19 HB THR 19 14.231 5.542 -0.185
136 HG1 THR 19 HG1 THR 19 11.601 6.211 0.601
137 HG21 THR 19 HG21 THR 19 11.725 3.895 -0.059
138 HG22 THR 19 HG22 THR 19 13.265 3.165 0.400
139 HG23 THR 19 HG23 THR 19 13.050 3.822 -1.223
140 H LEU 20 HN LEU 20 15.860 6.216 1.792
141 HA LEU 20 HA LEU 20 15.123 8.950 2.391
142 HB2 LEU 20 HB2 LEU 20 16.397 9.128 4.442
143 HB3 LEU 20 HB1 LEU 20 15.181 7.871 4.628
144 HG LEU 20 HG LEU 20 18.108 7.390 3.963
145 HD11 LEU 20 HD11 LEU 20 18.111 7.978 6.221
146 HD12 LEU 20 HD12 LEU 20 17.880 6.231 6.299
147 HD13 LEU 20 HD13 LEU 20 16.501 7.313 6.499
148 HD21 LEU 20 HD21 LEU 20 17.041 5.533 3.048
149 HD22 LEU 20 HD22 LEU 20 15.685 5.631 4.171
150 HD23 LEU 20 HD23 LEU 20 17.237 4.999 4.716
151 H SER 21 HN SER 21 16.962 10.417 2.265
152 HA SER 21 HA SER 21 18.742 9.695 0.149
153 HB2 SER 21 HB2 SER 21 19.594 11.942 0.350
154 HB3 SER 21 HB1 SER 21 17.847 12.005 0.551
155 HG SER 21 HG SER 21 19.851 12.593 2.313
156 H ARG 22 HN ARG 22 21.100 9.847 0.268
157 HA ARG 22 HA ARG 22 22.235 9.257 2.918
158 HB2 ARG 22 HB2 ARG 22 22.687 7.571 0.443
159 HB3 ARG 22 HB1 ARG 22 23.514 7.367 1.988
160 HG2 ARG 22 HG2 ARG 22 21.352 6.941 3.094
161 HG3 ARG 22 HG1 ARG 22 20.521 7.141 1.552
162 HD2 ARG 22 HD2 ARG 22 20.829 4.773 1.926
163 HD3 ARG 22 HD1 ARG 22 21.914 5.267 0.631
164 HE ARG 22 HE ARG 22 23.247 5.432 3.137
165 HH11 ARG 22 HH11 ARG 22 24.759 3.812 3.635
166 HH12 ARG 22 HH12 ARG 22 24.719 2.305 2.780
167 HH21 ARG 22 HH21 ARG 22 22.017 3.199 0.798
168 HH22 ARG 22 HH22 ARG 22 23.167 1.958 1.174
Start of MODEL 18
1 H GLN 1 HN GLN 1 -0.702 -5.415 -4.242
2 HA GLN 1 HA GLN 1 1.650 -5.238 -3.405
3 HB2 GLN 1 HB2 GLN 1 2.111 -5.252 -6.392
4 HB3 GLN 1 HB1 GLN 1 3.333 -4.733 -5.231
5 HG2 GLN 1 HG2 GLN 1 3.336 -6.899 -4.160
6 HG3 GLN 1 HG1 GLN 1 1.954 -7.428 -5.119
7 HE21 GLN 1 HE21 GLN 1 4.712 -8.616 -5.032
8 HE22 GLN 1 HE22 GLN 1 5.276 -8.563 -6.631
9 H TRP 2 HN TRP 2 1.130 -3.351 -2.442
10 HA TRP 2 HA TRP 2 1.278 -0.920 -4.090
11 HB2 TRP 2 HB2 TRP 2 -1.114 -1.391 -3.822
12 HB3 TRP 2 HB1 TRP 2 -0.909 -1.479 -2.072
13 HD1 TRP 2 HD1 TRP 2 -0.887 0.998 -4.977
14 HE1 TRP 2 HE1 TRP 2 -1.084 3.388 -4.032
15 HE3 TRP 2 HE3 TRP 2 -0.473 0.009 0.016
16 HZ2 TRP 2 HZ2 TRP 2 -1.068 4.707 -1.493
17 HZ3 TRP 2 HZ3 TRP 2 -0.566 1.849 1.673
18 HH2 TRP 2 HH2 TRP 2 -0.861 4.193 0.928
19 H CYS 3 HN CYS 3 2.433 0.675 -3.161
20 HA CYS 3 HA CYS 3 3.190 0.352 -0.316
21 HB2 CYS 3 HB2 CYS 3 4.834 1.507 -2.581
22 HB3 CYS 3 HB1 CYS 3 5.325 1.446 -0.891
23 H GLN 4 HN GLN 4 3.399 2.219 0.927
24 HA GLN 4 HA GLN 4 1.598 4.349 0.270
25 HB2 GLN 4 HB2 GLN 4 3.095 5.177 2.467
26 HB3 GLN 4 HB1 GLN 4 1.551 4.330 2.528
27 HG2 GLN 4 HG2 GLN 4 4.226 2.923 2.365
28 HG3 GLN 4 HG1 GLN 4 3.409 3.274 3.883
29 HE21 GLN 4 HE21 GLN 4 3.821 0.822 1.677
30 HE22 GLN 4 HE22 GLN 4 2.373 -0.025 1.930
31 HA PRO 5 HA PRO 5 4.380 7.215 -1.550
32 HB2 PRO 5 HB2 PRO 5 3.795 9.574 -0.236
33 HB3 PRO 5 HB1 PRO 5 2.793 8.879 -1.524
34 HG2 PRO 5 HG2 PRO 5 2.425 8.775 1.427
35 HG3 PRO 5 HG1 PRO 5 1.218 8.955 0.142
36 HD2 PRO 5 HD2 PRO 5 1.633 6.591 1.418
37 HD3 PRO 5 HD1 PRO 5 1.129 6.668 -0.280
38 H GLY 6 HN GLY 6 6.496 7.803 -1.268
39 HA2 GLY 6 HA2 GLY 6 8.404 8.559 -0.111
40 HA3 GLY 6 HA1 GLY 6 7.516 8.415 1.406
41 H TYR 7 HN TYR 7 6.727 5.672 -0.033
42 HA TYR 7 HA TYR 7 9.029 4.175 1.065
43 HB2 TYR 7 HB2 TYR 7 6.086 3.526 0.959
44 HB3 TYR 7 HB1 TYR 7 7.302 2.285 1.230
45 HD1 TYR 7 HD1 TYR 7 6.316 5.688 2.476
46 HD2 TYR 7 HD2 TYR 7 7.985 1.846 3.417
47 HE1 TYR 7 HE1 TYR 7 6.436 6.324 4.871
48 HE2 TYR 7 HE2 TYR 7 8.117 2.481 5.804
49 HH TYR 7 HH TYR 7 6.565 5.303 7.038
50 H ALA 8 HN ALA 8 9.896 2.494 -0.125
51 HA ALA 8 HA ALA 8 9.022 2.346 -2.949
52 HB1 ALA 8 HB1 ALA 8 11.345 1.731 -3.475
53 HB2 ALA 8 HB2 ALA 8 11.769 1.876 -1.768
54 HB3 ALA 8 HB3 ALA 8 11.267 3.302 -2.677
55 H TYR 9 HN TYR 9 8.473 0.413 -3.771
56 HA TYR 9 HA TYR 9 7.986 -1.793 -2.075
57 HB2 TYR 9 HB2 TYR 9 6.702 -1.439 -4.124
58 HB3 TYR 9 HB1 TYR 9 8.153 -1.688 -5.094
59 HD1 TYR 9 HD1 TYR 9 5.988 -3.346 -2.535
60 HD2 TYR 9 HD2 TYR 9 8.803 -3.864 -5.744
61 HE1 TYR 9 HE1 TYR 9 5.596 -5.794 -2.485
62 HE2 TYR 9 HE2 TYR 9 8.405 -6.310 -5.691
63 HH TYR 9 HH TYR 9 6.294 -7.815 -4.863
64 H ASN 10 HN ASN 10 9.210 -3.462 -1.473
65 HA ASN 10 HA ASN 10 11.858 -3.758 -2.734
66 HB2 ASN 10 HB2 ASN 10 10.973 -3.783 0.055
67 HB3 ASN 10 HB1 ASN 10 12.036 -5.121 -0.379
68 HD21 ASN 10 HD21 ASN 10 14.231 -4.674 -0.520
69 HD22 ASN 10 HD22 ASN 10 14.893 -3.116 -0.541
70 HA PRO 11 HA PRO 11 9.869 -7.691 -3.833
71 HB2 PRO 11 HB2 PRO 11 11.731 -8.539 -5.646
72 HB3 PRO 11 HB1 PRO 11 10.453 -7.374 -6.031
73 HG2 PRO 11 HG2 PRO 11 13.329 -6.923 -5.526
74 HG3 PRO 11 HG1 PRO 11 12.208 -6.047 -6.580
75 HD2 PRO 11 HD2 PRO 11 13.063 -5.185 -4.072
76 HD3 PRO 11 HD1 PRO 11 11.632 -4.574 -4.924
77 H VAL 12 HN VAL 12 13.232 -7.230 -2.938
78 HA VAL 12 HA VAL 12 13.882 -9.927 -2.369
79 HB VAL 12 HB VAL 12 14.995 -7.318 -1.322
80 HG11 VAL 12 HG11 VAL 12 15.568 -10.150 -0.615
81 HG12 VAL 12 HG12 VAL 12 15.780 -8.687 0.346
82 HG13 VAL 12 HG13 VAL 12 16.967 -9.111 -0.889
83 HG21 VAL 12 HG21 VAL 12 15.979 -9.343 -3.358
84 HG22 VAL 12 HG22 VAL 12 16.864 -7.906 -2.848
85 HG23 VAL 12 HG23 VAL 12 15.340 -7.739 -3.719
86 H LEU 13 HN LEU 13 12.645 -7.279 -0.340
87 HA LEU 13 HA LEU 13 12.479 -9.000 1.990
88 HB2 LEU 13 HB2 LEU 13 11.429 -6.187 1.588
89 HB3 LEU 13 HB1 LEU 13 11.610 -7.030 3.124
90 HG LEU 13 HG LEU 13 13.877 -6.337 1.233
91 HD11 LEU 13 HD11 LEU 13 13.512 -4.293 2.197
92 HD12 LEU 13 HD12 LEU 13 14.412 -5.018 3.530
93 HD13 LEU 13 HD13 LEU 13 12.649 -4.979 3.574
94 HD21 LEU 13 HD21 LEU 13 15.127 -6.952 3.492
95 HD22 LEU 13 HD22 LEU 13 14.661 -8.220 2.357
96 HD23 LEU 13 HD23 LEU 13 13.674 -7.908 3.784
97 H GLY 14 HN GLY 14 10.450 -8.026 -0.632
98 HA2 GLY 14 HA2 GLY 14 8.421 -8.972 -1.268
99 HA3 GLY 14 HA1 GLY 14 8.351 -9.804 0.278
100 H ILE 15 HN ILE 15 8.987 -6.603 0.939
101 HA ILE 15 HA ILE 15 6.153 -5.818 0.922
102 HB ILE 15 HB ILE 15 5.978 -5.433 3.186
103 HG12 ILE 15 HG12 ILE 15 7.901 -3.997 3.551
104 HG13 ILE 15 HG11 ILE 15 7.972 -5.304 4.723
105 HG21 ILE 15 HG21 ILE 15 8.011 -7.674 3.148
106 HG22 ILE 15 HG22 ILE 15 6.326 -7.867 2.668
107 HG23 ILE 15 HG23 ILE 15 6.725 -7.421 4.327
108 HD11 ILE 15 HD11 ILE 15 9.400 -6.451 2.758
109 HD12 ILE 15 HD12 ILE 15 10.133 -5.428 3.987
110 HD13 ILE 15 HD13 ILE 15 9.753 -4.762 2.402
111 H CYS 16 HN CYS 16 6.071 -3.450 1.960
112 HA CYS 16 HA CYS 16 7.824 -1.853 0.249
113 HB2 CYS 16 HB2 CYS 16 5.517 -0.984 2.010
114 HB3 CYS 16 HB1 CYS 16 6.312 -0.017 0.768
115 H THR 17 HN THR 17 9.432 -0.543 0.994
116 HA THR 17 HA THR 17 9.714 -0.240 3.925
117 HB THR 17 HB THR 17 12.147 -0.470 3.663
118 HG1 THR 17 HG1 THR 17 12.760 -0.067 1.689
119 HG21 THR 17 HG21 THR 17 10.220 -2.492 3.545
120 HG22 THR 17 HG22 THR 17 11.917 -2.685 3.985
121 HG23 THR 17 HG23 THR 17 11.404 -2.936 2.316
122 H ILE 18 HN ILE 18 10.825 1.639 4.627
123 HA ILE 18 HA ILE 18 10.191 3.960 3.085
124 HB ILE 18 HB ILE 18 10.301 3.641 5.681
125 HG12 ILE 18 HG12 ILE 18 11.487 6.143 4.437
126 HG13 ILE 18 HG11 ILE 18 9.764 5.771 4.445
127 HG21 ILE 18 HG21 ILE 18 13.083 4.712 5.250
128 HG22 ILE 18 HG22 ILE 18 12.801 2.978 5.396
129 HG23 ILE 18 HG23 ILE 18 12.368 4.058 6.723
130 HD11 ILE 18 HD11 ILE 18 10.816 5.437 7.102
131 HD12 ILE 18 HD12 ILE 18 9.562 6.544 6.541
132 HD13 ILE 18 HD13 ILE 18 11.256 7.033 6.494
133 H THR 19 HN THR 19 11.665 5.576 2.350
134 HA THR 19 HA THR 19 14.401 4.591 1.813
135 HB THR 19 HB THR 19 14.276 5.592 -0.421
136 HG1 THR 19 HG1 THR 19 11.687 6.258 0.481
137 HG21 THR 19 HG21 THR 19 13.282 3.750 -1.325
138 HG22 THR 19 HG22 THR 19 11.788 3.992 -0.421
139 HG23 THR 19 HG23 THR 19 13.173 3.227 0.356
140 H LEU 20 HN LEU 20 15.975 6.273 1.456
141 HA LEU 20 HA LEU 20 15.243 8.995 2.161
142 HB2 LEU 20 HB2 LEU 20 16.791 9.136 4.042
143 HB3 LEU 20 HB1 LEU 20 15.566 7.912 4.353
144 HG LEU 20 HG LEU 20 18.363 7.338 3.308
145 HD11 LEU 20 HD11 LEU 20 18.702 6.365 5.580
146 HD12 LEU 20 HD12 LEU 20 17.138 7.022 6.062
147 HD13 LEU 20 HD13 LEU 20 18.452 8.110 5.613
148 HD21 LEU 20 HD21 LEU 20 17.498 4.990 4.256
149 HD22 LEU 20 HD22 LEU 20 17.170 5.485 2.598
150 HD23 LEU 20 HD23 LEU 20 15.929 5.675 3.836
151 H SER 21 HN SER 21 17.098 10.486 1.957
152 HA SER 21 HA SER 21 18.504 10.070 -0.446
153 HB2 SER 21 HB2 SER 21 18.017 12.309 0.424
154 HB3 SER 21 HB1 SER 21 19.080 12.019 1.798
155 HG SER 21 HG SER 21 20.737 11.606 0.136
156 H ARG 22 HN ARG 22 19.540 9.831 2.942
157 HA ARG 22 HA ARG 22 21.719 8.060 2.105
158 HB2 ARG 22 HB2 ARG 22 22.094 10.600 3.699
159 HB3 ARG 22 HB1 ARG 22 23.283 9.298 3.663
160 HG2 ARG 22 HG2 ARG 22 23.426 9.496 1.204
161 HG3 ARG 22 HG1 ARG 22 22.248 10.807 1.244
162 HD2 ARG 22 HD2 ARG 22 23.765 12.140 2.652
163 HD3 ARG 22 HD1 ARG 22 24.944 10.832 2.628
164 HE ARG 22 HE ARG 22 24.318 11.529 -0.031
165 HH11 ARG 22 HH11 ARG 22 25.768 12.839 -1.187
166 HH12 ARG 22 HH12 ARG 22 26.916 13.814 -0.333
167 HH21 ARG 22 HH21 ARG 22 25.858 12.782 2.802
168 HH22 ARG 22 HH22 ARG 22 26.965 13.783 1.925
Start of MODEL 19
1 H GLN 1 HN GLN 1 0.769 -4.781 -6.121
2 HA GLN 1 HA GLN 1 0.012 -3.836 -3.824
3 HB2 GLN 1 HB2 GLN 1 2.734 -4.646 -4.670
4 HB3 GLN 1 HB1 GLN 1 2.615 -3.823 -3.114
5 HG2 GLN 1 HG2 GLN 1 0.833 -6.146 -3.873
6 HG3 GLN 1 HG1 GLN 1 2.370 -6.360 -3.038
7 HE21 GLN 1 HE21 GLN 1 2.517 -5.639 -0.807
8 HE22 GLN 1 HE22 GLN 1 1.138 -5.199 0.080
9 H TRP 2 HN TRP 2 -0.742 -1.748 -3.749
10 HA TRP 2 HA TRP 2 0.784 0.538 -4.476
11 HB2 TRP 2 HB2 TRP 2 -1.663 0.585 -4.385
12 HB3 TRP 2 HB1 TRP 2 -1.613 0.295 -2.646
13 HD1 TRP 2 HD1 TRP 2 -0.822 2.963 -5.267
14 HE1 TRP 2 HE1 TRP 2 -0.609 5.244 -4.085
15 HE3 TRP 2 HE3 TRP 2 -1.086 1.458 -0.396
16 HZ2 TRP 2 HZ2 TRP 2 -0.560 6.291 -1.422
17 HZ3 TRP 2 HZ3 TRP 2 -0.954 3.114 1.441
18 HH2 TRP 2 HH2 TRP 2 -0.691 5.526 0.936
19 H CYS 3 HN CYS 3 2.297 1.617 -3.396
20 HA CYS 3 HA CYS 3 2.634 1.077 -0.508
21 HB2 CYS 3 HB2 CYS 3 4.761 1.478 -2.626
22 HB3 CYS 3 HB1 CYS 3 5.100 1.396 -0.890
23 H GLN 4 HN GLN 4 2.566 2.774 0.768
24 HA GLN 4 HA GLN 4 1.805 5.311 -0.014
25 HB2 GLN 4 HB2 GLN 4 2.742 5.967 2.316
26 HB3 GLN 4 HB1 GLN 4 1.457 4.767 2.252
27 HG2 GLN 4 HG2 GLN 4 4.328 3.896 2.159
28 HG3 GLN 4 HG1 GLN 4 3.597 4.314 3.705
29 HE21 GLN 4 HE21 GLN 4 4.467 1.610 2.729
30 HE22 GLN 4 HE22 GLN 4 3.077 0.636 2.804
31 HA PRO 5 HA PRO 5 5.473 7.254 -1.494
32 HB2 PRO 5 HB2 PRO 5 5.211 9.809 -0.478
33 HB3 PRO 5 HB1 PRO 5 4.341 9.210 -1.902
34 HG2 PRO 5 HG2 PRO 5 3.402 9.499 0.905
35 HG3 PRO 5 HG1 PRO 5 2.539 9.799 -0.614
36 HD2 PRO 5 HD2 PRO 5 2.137 7.555 0.853
37 HD3 PRO 5 HD1 PRO 5 2.010 7.550 -0.912
38 H GLY 6 HN GLY 6 7.581 7.709 -0.838
39 HA2 GLY 6 HA2 GLY 6 9.300 8.227 0.705
40 HA3 GLY 6 HA1 GLY 6 8.133 8.077 2.019
41 H TYR 7 HN TYR 7 7.371 5.539 0.225
42 HA TYR 7 HA TYR 7 9.278 3.730 1.580
43 HB2 TYR 7 HB2 TYR 7 6.373 3.385 0.830
44 HB3 TYR 7 HB1 TYR 7 7.410 2.031 1.254
45 HD1 TYR 7 HD1 TYR 7 6.360 5.399 2.519
46 HD2 TYR 7 HD2 TYR 7 7.650 1.422 3.498
47 HE1 TYR 7 HE1 TYR 7 6.019 5.880 4.928
48 HE2 TYR 7 HE2 TYR 7 7.319 1.905 5.906
49 HH TYR 7 HH TYR 7 7.122 4.830 7.185
50 H ALA 8 HN ALA 8 10.177 2.041 0.398
51 HA ALA 8 HA ALA 8 9.755 2.154 -2.530
52 HB1 ALA 8 HB1 ALA 8 11.888 3.132 -2.138
53 HB2 ALA 8 HB2 ALA 8 12.197 1.485 -2.685
54 HB3 ALA 8 HB3 ALA 8 12.323 1.885 -0.972
55 H TYR 9 HN TYR 9 9.451 0.291 -3.567
56 HA TYR 9 HA TYR 9 8.751 -2.057 -2.200
57 HB2 TYR 9 HB2 TYR 9 7.935 -1.553 -4.452
58 HB3 TYR 9 HB1 TYR 9 9.571 -1.733 -5.088
59 HD1 TYR 9 HD1 TYR 9 6.838 -3.536 -3.312
60 HD2 TYR 9 HD2 TYR 9 10.475 -3.894 -5.581
61 HE1 TYR 9 HE1 TYR 9 6.488 -5.984 -3.492
62 HE2 TYR 9 HE2 TYR 9 10.115 -6.338 -5.760
63 HH TYR 9 HH TYR 9 7.785 -7.873 -5.630
64 H ASN 10 HN ASN 10 9.848 -3.745 -1.480
65 HA ASN 10 HA ASN 10 12.710 -3.935 -2.153
66 HB2 ASN 10 HB2 ASN 10 11.333 -3.986 0.375
67 HB3 ASN 10 HB1 ASN 10 12.207 -5.494 0.118
68 HD21 ASN 10 HD21 ASN 10 14.361 -5.436 0.681
69 HD22 ASN 10 HD22 ASN 10 15.307 -4.035 0.764
70 HA PRO 11 HA PRO 11 11.042 -7.738 -3.973
71 HB2 PRO 11 HB2 PRO 11 13.329 -8.561 -5.246
72 HB3 PRO 11 HB1 PRO 11 12.210 -7.356 -5.906
73 HG2 PRO 11 HG2 PRO 11 14.845 -6.984 -4.625
74 HG3 PRO 11 HG1 PRO 11 14.045 -6.033 -5.886
75 HD2 PRO 11 HD2 PRO 11 14.215 -5.312 -3.206
76 HD3 PRO 11 HD1 PRO 11 13.051 -4.641 -4.365
77 H VAL 12 HN VAL 12 14.007 -7.481 -2.114
78 HA VAL 12 HA VAL 12 14.398 -10.239 -1.594
79 HB VAL 12 HB VAL 12 15.199 -7.764 -0.052
80 HG11 VAL 12 HG11 VAL 12 15.414 -9.279 1.657
81 HG12 VAL 12 HG12 VAL 12 16.905 -9.674 0.804
82 HG13 VAL 12 HG13 VAL 12 15.464 -10.661 0.563
83 HG21 VAL 12 HG21 VAL 12 16.107 -8.718 -2.453
84 HG22 VAL 12 HG22 VAL 12 17.188 -9.539 -1.326
85 HG23 VAL 12 HG23 VAL 12 17.088 -7.779 -1.328
86 H LEU 13 HN LEU 13 12.676 -7.684 0.178
87 HA LEU 13 HA LEU 13 11.731 -9.559 2.188
88 HB2 LEU 13 HB2 LEU 13 11.009 -6.653 1.725
89 HB3 LEU 13 HB1 LEU 13 10.597 -7.605 3.149
90 HG LEU 13 HG LEU 13 13.413 -6.982 2.205
91 HD11 LEU 13 HD11 LEU 13 13.262 -5.819 4.600
92 HD12 LEU 13 HD12 LEU 13 11.552 -5.728 4.179
93 HD13 LEU 13 HD13 LEU 13 12.760 -4.973 3.138
94 HD21 LEU 13 HD21 LEU 13 13.677 -8.980 3.365
95 HD22 LEU 13 HD22 LEU 13 12.260 -8.700 4.378
96 HD23 LEU 13 HD23 LEU 13 13.762 -7.833 4.702
97 H GLY 14 HN GLY 14 10.637 -8.182 -0.799
98 HA2 GLY 14 HA2 GLY 14 8.841 -8.870 -2.113
99 HA3 GLY 14 HA1 GLY 14 8.283 -9.876 -0.779
100 H ILE 15 HN ILE 15 8.920 -6.927 0.522
101 HA ILE 15 HA ILE 15 6.266 -5.804 -0.093
102 HB ILE 15 HB ILE 15 6.031 -5.253 2.363
103 HG12 ILE 15 HG12 ILE 15 7.311 -6.831 3.889
104 HG13 ILE 15 HG11 ILE 15 8.340 -7.224 2.517
105 HG21 ILE 15 HG21 ILE 15 6.102 -8.158 1.506
106 HG22 ILE 15 HG22 ILE 15 4.742 -7.047 1.344
107 HG23 ILE 15 HG23 ILE 15 5.277 -7.559 2.944
108 HD11 ILE 15 HD11 ILE 15 8.968 -5.276 4.246
109 HD12 ILE 15 HD12 ILE 15 7.966 -4.325 3.153
110 HD13 ILE 15 HD13 ILE 15 9.386 -5.171 2.539
111 H CYS 16 HN CYS 16 6.098 -3.521 0.914
112 HA CYS 16 HA CYS 16 8.493 -2.082 0.083
113 HB2 CYS 16 HB2 CYS 16 5.715 -1.146 0.813
114 HB3 CYS 16 HB1 CYS 16 7.033 -0.062 0.387
115 H THR 17 HN THR 17 9.745 -0.816 1.340
116 HA THR 17 HA THR 17 9.140 -0.723 4.234
117 HB THR 17 HB THR 17 11.532 -1.030 4.694
118 HG1 THR 17 HG1 THR 17 11.854 -1.687 1.974
119 HG21 THR 17 HG21 THR 17 10.820 -3.268 2.828
120 HG22 THR 17 HG22 THR 17 9.814 -2.976 4.247
121 HG23 THR 17 HG23 THR 17 11.528 -3.344 4.443
122 H ILE 18 HN ILE 18 10.068 1.101 5.343
123 HA ILE 18 HA ILE 18 9.859 3.514 3.863
124 HB ILE 18 HB ILE 18 9.468 3.068 6.404
125 HG12 ILE 18 HG12 ILE 18 11.010 5.552 5.586
126 HG13 ILE 18 HG11 ILE 18 9.306 5.293 5.217
127 HG21 ILE 18 HG21 ILE 18 11.932 2.257 6.559
128 HG22 ILE 18 HG22 ILE 18 11.318 3.298 7.842
129 HG23 ILE 18 HG23 ILE 18 12.338 3.974 6.573
130 HD11 ILE 18 HD11 ILE 18 9.793 4.754 8.010
131 HD12 ILE 18 HD12 ILE 18 8.704 5.933 7.284
132 HD13 ILE 18 HD13 ILE 18 10.385 6.362 7.595
133 H THR 19 HN THR 19 11.423 4.939 3.163
134 HA THR 19 HA THR 19 14.235 4.231 3.560
135 HB THR 19 HB THR 19 13.574 3.070 1.495
136 HG1 THR 19 HG1 THR 19 15.388 3.661 0.615
137 HG21 THR 19 HG21 THR 19 13.226 5.387 -0.184
138 HG22 THR 19 HG22 THR 19 12.019 5.391 1.099
139 HG23 THR 19 HG23 THR 19 12.157 4.001 0.025
140 H LEU 20 HN LEU 20 15.650 5.964 3.361
141 HA LEU 20 HA LEU 20 14.450 8.600 2.789
142 HB2 LEU 20 HB2 LEU 20 15.965 9.458 4.670
143 HB3 LEU 20 HB1 LEU 20 14.509 8.597 5.152
144 HG LEU 20 HG LEU 20 17.190 7.223 4.822
145 HD11 LEU 20 HD11 LEU 20 15.962 8.320 7.368
146 HD12 LEU 20 HD12 LEU 20 17.344 9.020 6.526
147 HD13 LEU 20 HD13 LEU 20 17.470 7.415 7.246
148 HD21 LEU 20 HD21 LEU 20 14.484 6.363 5.521
149 HD22 LEU 20 HD22 LEU 20 15.641 5.962 6.788
150 HD23 LEU 20 HD23 LEU 20 15.904 5.391 5.142
151 H SER 21 HN SER 21 16.028 6.939 1.062
152 HA SER 21 HA SER 21 18.764 7.651 1.056
153 HB2 SER 21 HB2 SER 21 17.946 5.770 -0.258
154 HB3 SER 21 HB1 SER 21 16.946 6.848 -1.227
155 HG SER 21 HG SER 21 19.772 6.711 -1.072
156 H ARG 22 HN ARG 22 19.865 9.334 0.154
157 HA ARG 22 HA ARG 22 18.482 11.792 -0.248
158 HB2 ARG 22 HB2 ARG 22 20.776 11.699 0.638
159 HB3 ARG 22 HB1 ARG 22 21.345 11.057 -0.904
160 HG2 ARG 22 HG2 ARG 22 20.686 13.090 -2.060
161 HG3 ARG 22 HG1 ARG 22 19.929 13.721 -0.596
162 HD2 ARG 22 HD2 ARG 22 22.872 13.043 -0.818
163 HD3 ARG 22 HD1 ARG 22 22.216 14.662 -1.043
164 HE ARG 22 HE ARG 22 21.286 13.715 1.423
165 HH11 ARG 22 HH11 ARG 22 22.341 14.335 3.337
166 HH12 ARG 22 HH12 ARG 22 23.982 14.884 3.276
167 HH21 ARG 22 HH21 ARG 22 24.258 14.510 -0.161
168 HH22 ARG 22 HH22 ARG 22 25.067 14.983 1.297
Start of MODEL 20
1 H GLN 1 HN GLN 1 0.507 -5.067 -5.244
2 HA GLN 1 HA GLN 1 2.586 -5.078 -3.159
3 HB2 GLN 1 HB2 GLN 1 2.755 -4.800 -6.167
4 HB3 GLN 1 HB1 GLN 1 4.143 -4.697 -5.083
5 HG2 GLN 1 HG2 GLN 1 3.666 -6.965 -4.246
6 HG3 GLN 1 HG1 GLN 1 2.272 -7.073 -5.319
7 HE21 GLN 1 HE21 GLN 1 2.968 -8.634 -6.830
8 HE22 GLN 1 HE22 GLN 1 4.385 -8.488 -7.754
9 H TRP 2 HN TRP 2 0.346 -3.091 -3.515
10 HA TRP 2 HA TRP 2 1.490 -0.632 -4.404
11 HB2 TRP 2 HB2 TRP 2 -0.931 -0.965 -4.354
12 HB3 TRP 2 HB1 TRP 2 -0.887 -1.156 -2.602
13 HD1 TRP 2 HD1 TRP 2 -0.472 1.466 -5.352
14 HE1 TRP 2 HE1 TRP 2 -0.631 3.811 -4.290
15 HE3 TRP 2 HE3 TRP 2 -0.570 0.191 -0.408
16 HZ2 TRP 2 HZ2 TRP 2 -0.781 4.989 -1.686
17 HZ3 TRP 2 HZ3 TRP 2 -0.721 1.941 1.340
18 HH2 TRP 2 HH2 TRP 2 -0.824 4.335 0.708
19 H CYS 3 HN CYS 3 2.654 0.859 -3.345
20 HA CYS 3 HA CYS 3 3.157 0.432 -0.456
21 HB2 CYS 3 HB2 CYS 3 5.026 1.544 -2.564
22 HB3 CYS 3 HB1 CYS 3 5.378 1.465 -0.840
23 H GLN 4 HN GLN 4 3.295 2.252 0.855
24 HA GLN 4 HA GLN 4 1.682 4.484 0.076
25 HB2 GLN 4 HB2 GLN 4 2.799 5.264 2.427
26 HB3 GLN 4 HB1 GLN 4 1.396 4.200 2.327
27 HG2 GLN 4 HG2 GLN 4 4.202 3.101 2.274
28 HG3 GLN 4 HG1 GLN 4 3.392 3.454 3.799
29 HE21 GLN 4 HE21 GLN 4 4.142 0.770 2.710
30 HE22 GLN 4 HE22 GLN 4 2.689 -0.102 2.602
31 HA PRO 5 HA PRO 5 4.764 7.212 -1.460
32 HB2 PRO 5 HB2 PRO 5 4.172 9.582 -0.140
33 HB3 PRO 5 HB1 PRO 5 3.319 8.984 -1.574
34 HG2 PRO 5 HG2 PRO 5 2.545 8.829 1.294
35 HG3 PRO 5 HG1 PRO 5 1.537 9.101 -0.139
36 HD2 PRO 5 HD2 PRO 5 1.628 6.697 1.105
37 HD3 PRO 5 HD1 PRO 5 1.413 6.827 -0.649
38 H GLY 6 HN GLY 6 6.856 7.737 -0.981
39 HA2 GLY 6 HA2 GLY 6 8.671 8.412 0.368
40 HA3 GLY 6 HA1 GLY 6 7.660 8.204 1.797
41 H TYR 7 HN TYR 7 6.933 5.552 0.179
42 HA TYR 7 HA TYR 7 9.147 3.962 1.337
43 HB2 TYR 7 HB2 TYR 7 6.211 3.334 1.018
44 HB3 TYR 7 HB1 TYR 7 7.413 2.102 1.373
45 HD1 TYR 7 HD1 TYR 7 6.101 5.388 2.601
46 HD2 TYR 7 HD2 TYR 7 8.114 1.725 3.576
47 HE1 TYR 7 HE1 TYR 7 6.005 5.972 5.010
48 HE2 TYR 7 HE2 TYR 7 8.033 2.307 5.978
49 HH TYR 7 HH TYR 7 6.161 4.124 7.359
50 H ALA 8 HN ALA 8 10.095 2.388 0.107
51 HA ALA 8 HA ALA 8 9.341 2.323 -2.751
52 HB1 ALA 8 HB1 ALA 8 11.804 1.284 -2.785
53 HB2 ALA 8 HB2 ALA 8 11.949 2.251 -1.318
54 HB3 ALA 8 HB3 ALA 8 11.524 3.023 -2.845
55 H TYR 9 HN TYR 9 8.729 0.431 -3.633
56 HA TYR 9 HA TYR 9 8.114 -1.795 -2.004
57 HB2 TYR 9 HB2 TYR 9 6.893 -1.338 -4.070
58 HB3 TYR 9 HB1 TYR 9 8.357 -1.626 -5.014
59 HD1 TYR 9 HD1 TYR 9 5.982 -3.231 -2.628
60 HD2 TYR 9 HD2 TYR 9 9.012 -3.834 -5.621
61 HE1 TYR 9 HE1 TYR 9 5.487 -5.660 -2.641
62 HE2 TYR 9 HE2 TYR 9 8.510 -6.260 -5.632
63 HH TYR 9 HH TYR 9 6.772 -7.783 -5.050
64 H ASN 10 HN ASN 10 9.239 -3.542 -1.435
65 HA ASN 10 HA ASN 10 11.908 -3.913 -2.627
66 HB2 ASN 10 HB2 ASN 10 10.943 -3.992 0.127
67 HB3 ASN 10 HB1 ASN 10 11.909 -5.395 -0.324
68 HD21 ASN 10 HD21 ASN 10 14.124 -5.130 -0.289
69 HD22 ASN 10 HD22 ASN 10 14.918 -3.636 -0.264
70 HA PRO 11 HA PRO 11 9.767 -7.679 -3.983
71 HB2 PRO 11 HB2 PRO 11 11.702 -8.589 -5.698
72 HB3 PRO 11 HB1 PRO 11 10.514 -7.347 -6.128
73 HG2 PRO 11 HG2 PRO 11 13.372 -7.068 -5.431
74 HG3 PRO 11 HG1 PRO 11 12.364 -6.098 -6.517
75 HD2 PRO 11 HD2 PRO 11 13.114 -5.365 -3.937
76 HD3 PRO 11 HD1 PRO 11 11.767 -4.651 -4.846
77 H VAL 12 HN VAL 12 13.100 -7.498 -2.871
78 HA VAL 12 HA VAL 12 13.504 -10.254 -2.362
79 HB VAL 12 HB VAL 12 14.743 -7.776 -1.153
80 HG11 VAL 12 HG11 VAL 12 15.192 -9.346 0.509
81 HG12 VAL 12 HG12 VAL 12 16.556 -9.607 -0.577
82 HG13 VAL 12 HG13 VAL 12 15.171 -10.699 -0.623
83 HG21 VAL 12 HG21 VAL 12 16.373 -9.601 -2.761
84 HG22 VAL 12 HG22 VAL 12 16.171 -7.854 -2.907
85 HG23 VAL 12 HG23 VAL 12 15.007 -8.945 -3.661
86 H LEU 13 HN LEU 13 12.378 -7.585 -0.295
87 HA LEU 13 HA LEU 13 11.918 -9.350 1.957
88 HB2 LEU 13 HB2 LEU 13 11.092 -6.467 1.540
89 HB3 LEU 13 HB1 LEU 13 11.047 -7.344 3.064
90 HG LEU 13 HG LEU 13 13.546 -6.785 1.433
91 HD11 LEU 13 HD11 LEU 13 13.855 -5.575 3.873
92 HD12 LEU 13 HD12 LEU 13 12.136 -5.330 3.575
93 HD13 LEU 13 HD13 LEU 13 13.325 -4.748 2.409
94 HD21 LEU 13 HD21 LEU 13 14.094 -8.726 2.593
95 HD22 LEU 13 HD22 LEU 13 12.965 -8.386 3.905
96 HD23 LEU 13 HD23 LEU 13 14.494 -7.513 3.810
97 H GLY 14 HN GLY 14 10.111 -8.039 -0.712
98 HA2 GLY 14 HA2 GLY 14 8.057 -8.769 -1.533
99 HA3 GLY 14 HA1 GLY 14 7.857 -9.753 -0.087
100 H ILE 15 HN ILE 15 8.742 -6.717 0.911
101 HA ILE 15 HA ILE 15 5.966 -5.724 1.012
102 HB ILE 15 HB ILE 15 6.445 -4.998 3.395
103 HG12 ILE 15 HG12 ILE 15 8.160 -6.435 4.569
104 HG13 ILE 15 HG11 ILE 15 8.736 -6.953 2.988
105 HG21 ILE 15 HG21 ILE 15 6.045 -7.344 4.277
106 HG22 ILE 15 HG22 ILE 15 6.271 -7.917 2.625
107 HG23 ILE 15 HG23 ILE 15 4.943 -6.821 3.004
108 HD11 ILE 15 HD11 ILE 15 9.846 -4.890 4.253
109 HD12 ILE 15 HD12 ILE 15 8.516 -4.010 3.507
110 HD13 ILE 15 HD13 ILE 15 9.666 -4.891 2.502
111 H CYS 16 HN CYS 16 5.978 -3.400 1.952
112 HA CYS 16 HA CYS 16 7.848 -1.868 0.317
113 HB2 CYS 16 HB2 CYS 16 5.579 -0.889 2.070
114 HB3 CYS 16 HB1 CYS 16 6.407 0.021 0.807
115 H THR 17 HN THR 17 9.488 -0.596 1.097
116 HA THR 17 HA THR 17 9.774 -0.369 4.040
117 HB THR 17 HB THR 17 12.195 -0.680 3.785
118 HG1 THR 17 HG1 THR 17 12.600 -0.061 1.739
119 HG21 THR 17 HG21 THR 17 11.070 -3.030 2.342
120 HG22 THR 17 HG22 THR 17 10.353 -2.617 3.900
121 HG23 THR 17 HG23 THR 17 12.075 -2.974 3.790
122 H ILE 18 HN ILE 18 10.933 1.403 4.799
123 HA ILE 18 HA ILE 18 10.453 3.822 3.353
124 HB ILE 18 HB ILE 18 10.594 3.190 5.957
125 HG12 ILE 18 HG12 ILE 18 9.618 5.242 5.076
126 HG13 ILE 18 HG11 ILE 18 10.691 5.624 6.413
127 HG21 ILE 18 HG21 ILE 18 13.090 2.849 5.716
128 HG22 ILE 18 HG22 ILE 18 12.589 3.946 7.000
129 HG23 ILE 18 HG23 ILE 18 13.229 4.595 5.491
130 HD11 ILE 18 HD11 ILE 18 11.010 6.203 3.506
131 HD12 ILE 18 HD12 ILE 18 12.470 5.894 4.445
132 HD13 ILE 18 HD13 ILE 18 11.394 7.209 4.899
133 H THR 19 HN THR 19 11.885 5.175 2.355
134 HA THR 19 HA THR 19 14.729 4.475 2.304
135 HB THR 19 HB THR 19 13.677 3.275 0.395
136 HG1 THR 19 HG1 THR 19 15.565 5.279 0.184
137 HG21 THR 19 HG21 THR 19 11.839 4.987 0.106
138 HG22 THR 19 HG22 THR 19 12.628 4.494 -1.393
139 HG23 THR 19 HG23 THR 19 13.035 6.041 -0.653
140 H LEU 20 HN LEU 20 16.082 6.213 1.728
141 HA LEU 20 HA LEU 20 14.883 8.770 1.047
142 HB2 LEU 20 HB2 LEU 20 15.826 9.942 2.979
143 HB3 LEU 20 HB1 LEU 20 14.674 8.715 3.493
144 HG LEU 20 HG LEU 20 17.688 8.336 3.437
145 HD11 LEU 20 HD11 LEU 20 15.877 9.536 5.396
146 HD12 LEU 20 HD12 LEU 20 17.639 9.569 5.325
147 HD13 LEU 20 HD13 LEU 20 16.813 8.197 6.061
148 HD21 LEU 20 HD21 LEU 20 16.776 6.443 5.108
149 HD22 LEU 20 HD22 LEU 20 16.914 6.159 3.374
150 HD23 LEU 20 HD23 LEU 20 15.354 6.580 4.078
151 H SER 21 HN SER 21 16.565 10.466 0.736
152 HA SER 21 HA SER 21 18.599 9.552 -0.976
153 HB2 SER 21 HB2 SER 21 17.657 11.804 -1.139
154 HB3 SER 21 HB1 SER 21 18.333 12.216 0.434
155 HG SER 21 HG SER 21 20.290 12.302 -0.417
156 H ARG 22 HN ARG 22 18.716 10.644 2.401
157 HA ARG 22 HA ARG 22 20.334 10.441 4.019
158 HB2 ARG 22 HB2 ARG 22 19.998 8.035 3.585
159 HB3 ARG 22 HB1 ARG 22 21.214 8.099 2.311
160 HG2 ARG 22 HG2 ARG 22 22.933 8.729 3.916
161 HG3 ARG 22 HG1 ARG 22 21.734 8.826 5.207
162 HD2 ARG 22 HD2 ARG 22 21.263 6.430 4.977
163 HD3 ARG 22 HD1 ARG 22 22.405 6.318 3.641
164 HE ARG 22 HE ARG 22 24.153 6.367 5.186
165 HH11 ARG 22 HH11 ARG 22 24.963 6.306 7.307
166 HH12 ARG 22 HH12 ARG 22 23.912 6.657 8.640
167 HH21 ARG 22 HH21 ARG 22 21.132 7.220 6.643
168 HH22 ARG 22 HH22 ARG 22 21.744 7.175 8.264