NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
625415 |
5v1e   |
30263 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 6.706 -3.656 -4.435
2 H2 ARG 1 HT2 ARG 1 7.720 -2.296 -4.461
3 H3 ARG 1 HT3 ARG 1 7.094 -2.909 -5.908
4 HA ARG 1 HA ARG 1 5.523 -1.396 -5.719
5 HB2 ARG 1 HB2 ARG 1 4.761 -3.324 -3.520
6 HB3 ARG 1 HB1 ARG 1 3.705 -2.032 -4.069
7 HG2 ARG 1 HG2 ARG 1 4.490 -3.195 -6.444
8 HG3 ARG 1 HG1 ARG 1 4.332 -4.579 -5.360
9 HD2 ARG 1 HD2 ARG 1 2.180 -2.588 -5.111
10 HD3 ARG 1 HD1 ARG 1 2.252 -3.391 -6.670
11 HE ARG 1 HE ARG 1 1.873 -5.486 -5.590
12 HH11 ARG 1 HH11 ARG 1 0.917 -6.618 -3.886
13 HH12 ARG 1 HH12 ARG 1 0.569 -5.814 -2.389
14 HH21 ARG 1 HH21 ARG 1 1.787 -2.723 -3.442
15 HH22 ARG 1 HH22 ARG 1 1.078 -3.616 -2.124
16 H GLN 2 HN GLN 2 4.032 -0.525 -3.477
17 HA GLN 2 HA GLN 2 5.400 1.723 -2.690
18 HB2 GLN 2 HB2 GLN 2 3.382 0.597 -0.817
19 HB3 GLN 2 HB1 GLN 2 3.581 2.244 -1.411
20 HG2 GLN 2 HG2 GLN 2 1.811 1.709 -2.753
21 HG3 GLN 2 HG1 GLN 2 3.048 0.950 -3.749
22 HE21 GLN 2 HE21 GLN 2 1.606 -0.072 -0.642
23 HE22 GLN 2 HE22 GLN 2 1.084 -1.582 -1.210
24 H TYR 3 HN TYR 3 5.112 -1.326 -0.821
25 HA TYR 3 HA TYR 3 6.457 -0.329 1.450
26 HB2 TYR 3 HB2 TYR 3 6.906 -3.175 0.926
27 HB3 TYR 3 HB1 TYR 3 6.211 -2.375 2.336
28 HD1 TYR 3 HD1 TYR 3 5.435 -4.527 -0.305
29 HD2 TYR 3 HD2 TYR 3 3.911 -1.085 1.750
30 HE1 TYR 3 HE1 TYR 3 3.193 -5.020 -1.164
31 HE2 TYR 3 HE2 TYR 3 1.659 -1.580 0.906
32 HH TYR 3 HH TYR 3 0.487 -4.008 0.004
33 H MET 4 HN MET 4 7.649 -1.971 -1.446
34 HA MET 4 HA MET 4 10.281 -2.432 -0.674
35 HB2 MET 4 HB2 MET 4 9.299 -1.548 -3.397
36 HB3 MET 4 HB1 MET 4 10.845 -2.326 -3.061
37 HG2 MET 4 HG2 MET 4 8.095 -3.489 -3.067
38 HG3 MET 4 HG1 MET 4 9.603 -4.176 -3.660
39 HE1 MET 4 HE1 MET 4 7.179 -5.546 -1.536
40 HE2 MET 4 HE2 MET 4 7.047 -3.827 -1.195
41 HE3 MET 4 HE3 MET 4 7.437 -4.946 0.104
42 H ARG 5 HN ARG 5 8.631 0.516 -1.104
43 HA ARG 5 HA ARG 5 10.621 2.251 -1.952
44 HB2 ARG 5 HB2 ARG 5 8.210 2.816 -1.684
45 HB3 ARG 5 HB1 ARG 5 8.438 2.821 0.065
46 HG2 ARG 5 HG2 ARG 5 10.259 4.491 -1.632
47 HG3 ARG 5 HG1 ARG 5 8.621 5.063 -1.322
48 HD2 ARG 5 HD2 ARG 5 10.354 4.116 0.952
49 HD3 ARG 5 HD1 ARG 5 10.510 5.752 0.328
50 HE ARG 5 HE ARG 5 7.781 5.239 0.805
51 HH11 ARG 5 HH11 ARG 5 6.812 6.011 2.713
52 HH12 ARG 5 HH12 ARG 5 7.797 6.436 4.070
53 HH21 ARG 5 HH21 ARG 5 10.801 5.667 2.476
54 HH22 ARG 5 HH22 ARG 5 10.063 6.245 3.937
55 H GLN 6 HN GLN 6 9.789 1.208 1.351
56 HA GLN 6 HA GLN 6 11.833 2.858 2.534
57 HB2 GLN 6 HB2 GLN 6 11.388 1.451 4.577
58 HB3 GLN 6 HB1 GLN 6 9.970 2.270 3.921
59 HG2 GLN 6 HG2 GLN 6 10.412 -0.377 2.719
60 HG3 GLN 6 HG1 GLN 6 10.151 -0.452 4.457
61 HE21 GLN 6 HE21 GLN 6 8.784 1.920 2.154
62 HE22 GLN 6 HE22 GLN 6 7.170 1.489 2.433
63 H ILE 7 HN ILE 7 11.595 -0.388 1.407
64 HA ILE 7 HA ILE 7 14.008 -1.348 2.558
65 HB ILE 7 HB ILE 7 12.888 -2.645 0.136
66 HG12 ILE 7 HG12 ILE 7 11.293 -2.140 2.661
67 HG13 ILE 7 HG11 ILE 7 10.808 -1.873 0.996
68 HG21 ILE 7 HG21 ILE 7 13.153 -4.625 1.532
69 HG22 ILE 7 HG22 ILE 7 13.367 -3.629 2.972
70 HG23 ILE 7 HG23 ILE 7 14.604 -3.640 1.715
71 HD11 ILE 7 HD11 ILE 7 10.796 -4.367 2.563
72 HD12 ILE 7 HD12 ILE 7 11.399 -4.533 0.914
73 HD13 ILE 7 HD13 ILE 7 9.782 -3.888 1.204
74 H GLU 8 HN GLU 8 13.061 0.098 -0.465
75 HA GLU 8 HA GLU 8 15.475 -0.387 -1.879
76 HB2 GLU 8 HB2 GLU 8 13.144 1.479 -2.190
77 HB3 GLU 8 HB1 GLU 8 14.548 1.600 -3.252
78 HG2 GLU 8 HG2 GLU 8 14.286 -0.803 -3.835
79 HG3 GLU 8 HG1 GLU 8 12.850 -0.879 -2.821
80 H GLN 9 HN GLN 9 14.232 2.224 0.066
81 HA GLN 9 HA GLN 9 16.215 4.142 -0.331
82 HB2 GLN 9 HB2 GLN 9 14.371 3.520 1.966
83 HB3 GLN 9 HB1 GLN 9 15.524 4.854 2.043
84 HG2 GLN 9 HG2 GLN 9 14.574 5.687 -0.134
85 HG3 GLN 9 HG1 GLN 9 13.325 4.457 0.011
86 HE21 GLN 9 HE21 GLN 9 14.526 7.483 1.428
87 HE22 GLN 9 HE22 GLN 9 13.154 7.769 2.387
88 H ALA 10 HN ALA 10 16.233 1.211 1.522
89 HA ALA 10 HA ALA 10 18.414 1.884 3.228
90 HB1 ALA 10 HB1 ALA 10 18.586 -0.555 3.618
91 HB2 ALA 10 HB2 ALA 10 17.417 -0.828 2.328
92 HB3 ALA 10 HB3 ALA 10 16.928 0.030 3.789
93 H LEU 11 HN LEU 11 18.172 0.278 0.063
94 HA LEU 11 HA LEU 11 20.835 -0.500 -0.217
95 HB2 LEU 11 HB2 LEU 11 18.821 0.404 -2.272
96 HB3 LEU 11 HB1 LEU 11 20.422 -0.181 -2.705
97 HG LEU 11 HG LEU 11 18.996 -2.071 -2.852
98 HD11 LEU 11 HD11 LEU 11 20.032 -2.428 -0.056
99 HD12 LEU 11 HD12 LEU 11 21.171 -2.237 -1.391
100 HD13 LEU 11 HD13 LEU 11 20.022 -3.578 -1.392
101 HD21 LEU 11 HD21 LEU 11 18.020 -1.967 -0.072
102 HD22 LEU 11 HD22 LEU 11 17.181 -2.442 -1.544
103 HD23 LEU 11 HD23 LEU 11 17.361 -0.737 -1.147
104 H ARG 12 HN ARG 12 19.437 2.634 -0.191
105 HA ARG 12 HA ARG 12 21.304 4.124 -1.663
106 HB2 ARG 12 HB2 ARG 12 19.167 4.977 -0.592
107 HB3 ARG 12 HB1 ARG 12 20.025 4.970 0.949
108 HG2 ARG 12 HG2 ARG 12 21.387 6.327 -1.332
109 HG3 ARG 12 HG1 ARG 12 19.969 7.136 -0.669
110 HD2 ARG 12 HD2 ARG 12 20.935 7.219 1.529
111 HD3 ARG 12 HD1 ARG 12 22.240 6.137 1.068
112 HE ARG 12 HE ARG 12 22.081 8.988 0.537
113 HH11 ARG 12 HH11 ARG 12 23.978 9.903 -0.299
114 HH12 ARG 12 HH12 ARG 12 25.210 8.883 -0.971
115 HH21 ARG 12 HH21 ARG 12 23.469 5.934 -0.368
116 HH22 ARG 12 HH22 ARG 12 24.915 6.634 -1.019
117 H TYR 13 HN TYR 13 21.236 3.059 1.699
118 HA TYR 13 HA TYR 13 23.732 4.223 2.434
119 HB2 TYR 13 HB2 TYR 13 22.758 1.727 3.769
120 HB3 TYR 13 HB1 TYR 13 23.470 3.170 4.479
121 HD1 TYR 13 HD1 TYR 13 21.662 5.191 2.981
122 HD2 TYR 13 HD2 TYR 13 20.801 1.596 5.172
123 HE1 TYR 13 HE1 TYR 13 19.382 6.028 3.473
124 HE2 TYR 13 HE2 TYR 13 18.528 2.437 5.663
125 HH TYR 13 HH TYR 13 17.205 4.245 5.632
126 H GLY 14 HN GLY 14 22.706 1.149 1.081
127 HA2 GLY 14 HA2 GLY 14 25.089 -0.318 1.326
128 HA3 GLY 14 HA1 GLY 14 23.878 -0.548 0.066
129 H TYR 15 HN TYR 15 23.911 1.835 -1.191
130 HA TYR 15 HA TYR 15 26.276 1.628 -2.802
131 HB2 TYR 15 HB2 TYR 15 24.128 3.754 -2.886
132 HB3 TYR 15 HB1 TYR 15 25.247 3.313 -4.177
133 HD1 TYR 15 HD1 TYR 15 21.985 3.143 -3.665
134 HD2 TYR 15 HD2 TYR 15 25.247 0.374 -4.036
135 HE1 TYR 15 HE1 TYR 15 20.418 1.401 -4.469
136 HE2 TYR 15 HE2 TYR 15 23.681 -1.368 -4.836
137 HH TYR 15 HH TYR 15 20.175 -0.748 -5.028
138 H ARG 16 HN ARG 16 25.549 3.230 0.068
139 HA ARG 16 HA ARG 16 27.229 5.545 -0.380
140 HB2 ARG 16 HB2 ARG 16 25.177 5.260 1.240
141 HB3 ARG 16 HB1 ARG 16 26.393 4.617 2.342
142 HG2 ARG 16 HG2 ARG 16 27.211 7.098 0.981
143 HG3 ARG 16 HG1 ARG 16 25.809 7.288 2.032
144 HD2 ARG 16 HD2 ARG 16 27.667 7.642 3.456
145 HD3 ARG 16 HD1 ARG 16 27.158 5.990 3.794
146 HE ARG 16 HE ARG 16 29.091 5.857 1.775
147 HH11 ARG 16 HH11 ARG 16 31.242 5.383 2.311
148 HH12 ARG 16 HH12 ARG 16 31.822 5.676 3.917
149 HH21 ARG 16 HH21 ARG 16 28.795 6.931 5.060
150 HH22 ARG 16 HH22 ARG 16 30.428 6.541 5.481
151 H ILE 17 HN ILE 17 27.504 2.362 1.097
152 HA ILE 17 HA ILE 17 30.290 2.992 1.809
153 HB ILE 17 HB ILE 17 30.126 0.651 2.953
154 HG12 ILE 17 HG12 ILE 17 27.694 0.491 3.916
155 HG13 ILE 17 HG11 ILE 17 27.238 1.418 2.493
156 HG21 ILE 17 HG21 ILE 17 29.353 1.775 5.006
157 HG22 ILE 17 HG22 ILE 17 28.672 3.087 4.045
158 HG23 ILE 17 HG23 ILE 17 30.418 2.838 4.084
159 HD11 ILE 17 HD11 ILE 17 28.302 -0.279 1.050
160 HD12 ILE 17 HD12 ILE 17 27.030 -0.985 2.043
161 HD13 ILE 17 HD13 ILE 17 28.721 -1.222 2.476
162 H SER 18 HN SER 18 31.825 1.095 1.514
163 HA SER 18 HA SER 18 31.548 0.229 -1.263
164 HB2 SER 18 HB2 SER 18 33.969 -0.451 0.254
165 HB3 SER 18 HB1 SER 18 33.806 0.264 -1.345
166 HG SER 18 HG SER 18 33.139 2.230 -0.196
167 H ARG 19 HN ARG 19 31.246 -1.784 -1.882
168 HA ARG 19 HA ARG 19 31.900 -4.010 -0.092
169 HB2 ARG 19 HB2 ARG 19 29.303 -3.932 -1.637
170 HB3 ARG 19 HB1 ARG 19 29.796 -5.113 -0.430
171 HG2 ARG 19 HG2 ARG 19 29.329 -3.702 1.339
172 HG3 ARG 19 HG1 ARG 19 29.654 -2.247 0.404
173 HD2 ARG 19 HD2 ARG 19 27.352 -3.902 -0.493
174 HD3 ARG 19 HD1 ARG 19 27.154 -3.041 1.030
175 HE ARG 19 HE ARG 19 27.323 -0.984 -0.129
176 HH11 ARG 19 HH11 ARG 19 27.284 0.229 -2.004
177 HH12 ARG 19 HH12 ARG 19 27.414 -0.541 -3.554
178 HH21 ARG 19 HH21 ARG 19 27.719 -3.739 -2.214
179 HH22 ARG 19 HH22 ARG 19 27.684 -2.803 -3.671
180 H ARG 20 HN ARG 20 33.227 -5.233 -1.185
181 HA ARG 20 HA ARG 20 32.974 -5.362 -4.127
182 HB2 ARG 20 HB2 ARG 20 35.425 -5.947 -4.055
183 HB3 ARG 20 HB1 ARG 20 35.038 -4.304 -3.559
184 HG2 ARG 20 HG2 ARG 20 35.269 -4.855 -1.237
185 HG3 ARG 20 HG1 ARG 20 35.361 -6.579 -1.595
186 HD2 ARG 20 HD2 ARG 20 37.600 -6.206 -1.458
187 HD3 ARG 20 HD1 ARG 20 37.397 -5.701 -3.130
188 HE ARG 20 HE ARG 20 36.936 -3.406 -1.717
189 HH11 ARG 20 HH11 ARG 20 38.579 -1.936 -1.201
190 HH12 ARG 20 HH12 ARG 20 40.214 -2.486 -1.026
191 HH21 ARG 20 HH21 ARG 20 39.444 -5.803 -1.722
192 HH22 ARG 20 HH22 ARG 20 40.700 -4.683 -1.320
193 HN1 NH2 21 H1 NH2 21 34.800 -7.627 -4.374
194 HN2 NH2 21 H2 NH2 21 33.992 -8.983 -3.752
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 5.502 -2.931 -3.416
2 H2 ARG 1 HT2 ARG 1 4.215 -3.606 -4.287
3 H3 ARG 1 HT3 ARG 1 4.719 -4.321 -2.835
4 HA ARG 1 HA ARG 1 2.861 -2.227 -3.255
5 HB2 ARG 1 HB2 ARG 1 3.727 -4.045 -1.033
6 HB3 ARG 1 HB1 ARG 1 2.623 -2.709 -0.692
7 HG2 ARG 1 HG2 ARG 1 1.979 -4.372 -3.078
8 HG3 ARG 1 HG1 ARG 1 1.774 -5.145 -1.504
9 HD2 ARG 1 HD2 ARG 1 0.351 -3.295 -0.755
10 HD3 ARG 1 HD1 ARG 1 0.586 -2.467 -2.293
11 HE ARG 1 HE ARG 1 -0.434 -4.932 -2.981
12 HH11 ARG 1 HH11 ARG 1 -2.672 -5.300 -3.191
13 HH12 ARG 1 HH12 ARG 1 -3.799 -4.288 -2.352
14 HH21 ARG 1 HH21 ARG 1 -1.334 -2.324 -0.881
15 HH22 ARG 1 HH22 ARG 1 -3.037 -2.602 -1.033
16 H GLN 2 HN GLN 2 2.686 -0.771 -1.107
17 HA GLN 2 HA GLN 2 4.425 1.352 -1.426
18 HB2 GLN 2 HB2 GLN 2 3.206 0.930 1.253
19 HB3 GLN 2 HB1 GLN 2 3.285 2.383 0.265
20 HG2 GLN 2 HG2 GLN 2 1.052 1.830 -0.005
21 HG3 GLN 2 HG1 GLN 2 1.754 0.961 -1.364
22 HE21 GLN 2 HE21 GLN 2 1.662 0.170 2.143
23 HE22 GLN 2 HE22 GLN 2 0.934 -1.346 1.921
24 H TYR 3 HN TYR 3 4.708 -1.317 0.931
25 HA TYR 3 HA TYR 3 6.687 -0.153 2.514
26 HB2 TYR 3 HB2 TYR 3 6.974 -3.049 2.060
27 HB3 TYR 3 HB1 TYR 3 6.862 -2.134 3.564
28 HD1 TYR 3 HD1 TYR 3 5.144 -4.421 1.577
29 HD2 TYR 3 HD2 TYR 3 4.530 -0.788 3.773
30 HE1 TYR 3 HE1 TYR 3 2.726 -4.898 1.688
31 HE2 TYR 3 HE2 TYR 3 2.115 -1.259 3.901
32 HH TYR 3 HH TYR 3 0.797 -4.300 3.138
33 H MET 4 HN MET 4 7.012 -1.937 -0.526
34 HA MET 4 HA MET 4 9.761 -2.336 -0.507
35 HB2 MET 4 HB2 MET 4 7.822 -1.825 -2.755
36 HB3 MET 4 HB1 MET 4 9.536 -2.104 -3.053
37 HG2 MET 4 HG2 MET 4 8.946 -4.300 -3.071
38 HG3 MET 4 HG1 MET 4 8.975 -4.139 -1.315
39 HE1 MET 4 HE1 MET 4 6.135 -5.112 -0.048
40 HE2 MET 4 HE2 MET 4 5.833 -3.376 -0.086
41 HE3 MET 4 HE3 MET 4 7.480 -3.968 0.108
42 H ARG 5 HN ARG 5 8.004 0.567 -0.595
43 HA ARG 5 HA ARG 5 9.665 2.271 -2.049
44 HB2 ARG 5 HB2 ARG 5 7.494 3.028 -1.350
45 HB3 ARG 5 HB1 ARG 5 7.903 2.787 0.344
46 HG2 ARG 5 HG2 ARG 5 8.069 5.156 -0.169
47 HG3 ARG 5 HG1 ARG 5 9.689 4.531 0.123
48 HD2 ARG 5 HD2 ARG 5 10.227 5.459 -1.871
49 HD3 ARG 5 HD1 ARG 5 9.354 4.112 -2.591
50 HE ARG 5 HE ARG 5 7.966 6.639 -1.901
51 HH11 ARG 5 HH11 ARG 5 6.583 7.380 -3.532
52 HH12 ARG 5 HH12 ARG 5 6.515 6.565 -5.061
53 HH21 ARG 5 HH21 ARG 5 8.882 4.173 -4.198
54 HH22 ARG 5 HH22 ARG 5 7.824 4.759 -5.435
55 H GLN 6 HN GLN 6 9.744 1.420 1.405
56 HA GLN 6 HA GLN 6 12.026 3.098 1.948
57 HB2 GLN 6 HB2 GLN 6 12.109 1.826 4.112
58 HB3 GLN 6 HB1 GLN 6 10.546 2.571 3.780
59 HG2 GLN 6 HG2 GLN 6 10.709 -0.092 2.612
60 HG3 GLN 6 HG1 GLN 6 11.008 -0.142 4.341
61 HE21 GLN 6 HE21 GLN 6 8.838 1.969 2.380
62 HE22 GLN 6 HE22 GLN 6 7.431 1.546 3.225
63 H ILE 7 HN ILE 7 11.488 -0.212 1.117
64 HA ILE 7 HA ILE 7 14.117 -1.158 1.642
65 HB ILE 7 HB ILE 7 12.360 -2.502 -0.360
66 HG12 ILE 7 HG12 ILE 7 11.612 -1.891 2.507
67 HG13 ILE 7 HG11 ILE 7 10.603 -1.815 1.067
68 HG21 ILE 7 HG21 ILE 7 13.689 -3.468 2.185
69 HG22 ILE 7 HG22 ILE 7 14.503 -3.434 0.623
70 HG23 ILE 7 HG23 ILE 7 13.090 -4.461 0.859
71 HD11 ILE 7 HD11 ILE 7 10.727 -4.294 0.872
72 HD12 ILE 7 HD12 ILE 7 10.005 -3.785 2.395
73 HD13 ILE 7 HD13 ILE 7 11.674 -4.341 2.358
74 H GLU 8 HN GLU 8 12.466 0.299 -1.041
75 HA GLU 8 HA GLU 8 14.442 -0.247 -3.032
76 HB2 GLU 8 HB2 GLU 8 12.086 1.593 -2.761
77 HB3 GLU 8 HB1 GLU 8 13.227 1.831 -4.088
78 HG2 GLU 8 HG2 GLU 8 12.090 -0.894 -3.495
79 HG3 GLU 8 HG1 GLU 8 11.187 0.263 -4.475
80 H GLN 9 HN GLN 9 13.788 2.260 -0.739
81 HA GLN 9 HA GLN 9 15.872 4.022 -1.653
82 HB2 GLN 9 HB2 GLN 9 14.085 4.036 0.783
83 HB3 GLN 9 HB1 GLN 9 15.224 5.317 0.385
84 HG2 GLN 9 HG2 GLN 9 13.276 4.427 -1.709
85 HG3 GLN 9 HG1 GLN 9 12.695 5.463 -0.412
86 HE21 GLN 9 HE21 GLN 9 14.923 5.329 -3.175
87 HE22 GLN 9 HE22 GLN 9 15.182 7.003 -3.257
88 H ALA 10 HN ALA 10 15.553 1.403 0.545
89 HA ALA 10 HA ALA 10 17.543 1.912 2.425
90 HB1 ALA 10 HB1 ALA 10 16.128 0.021 2.765
91 HB2 ALA 10 HB2 ALA 10 17.755 -0.616 2.525
92 HB3 ALA 10 HB3 ALA 10 16.586 -0.680 1.210
93 H LEU 11 HN LEU 11 17.790 0.674 -0.858
94 HA LEU 11 HA LEU 11 20.377 -0.267 -0.906
95 HB2 LEU 11 HB2 LEU 11 18.799 1.221 -3.003
96 HB3 LEU 11 HB1 LEU 11 20.392 0.534 -3.321
97 HG LEU 11 HG LEU 11 18.772 -1.100 -4.016
98 HD11 LEU 11 HD11 LEU 11 19.456 -2.184 -1.324
99 HD12 LEU 11 HD12 LEU 11 20.784 -1.670 -2.362
100 HD13 LEU 11 HD13 LEU 11 19.663 -2.912 -2.916
101 HD21 LEU 11 HD21 LEU 11 16.978 -0.033 -2.458
102 HD22 LEU 11 HD22 LEU 11 17.580 -1.166 -1.252
103 HD23 LEU 11 HD23 LEU 11 16.895 -1.765 -2.761
104 H ARG 12 HN ARG 12 19.373 2.939 -0.272
105 HA ARG 12 HA ARG 12 21.464 4.509 -1.271
106 HB2 ARG 12 HB2 ARG 12 19.694 4.665 1.146
107 HB3 ARG 12 HB1 ARG 12 21.049 5.779 1.000
108 HG2 ARG 12 HG2 ARG 12 20.214 6.608 -1.122
109 HG3 ARG 12 HG1 ARG 12 18.915 5.409 -1.119
110 HD2 ARG 12 HD2 ARG 12 17.806 6.429 0.685
111 HD3 ARG 12 HD1 ARG 12 19.237 7.313 1.191
112 HE ARG 12 HE ARG 12 18.924 8.668 -0.916
113 HH11 ARG 12 HH11 ARG 12 17.339 9.987 -1.821
114 HH12 ARG 12 HH12 ARG 12 15.665 9.705 -1.483
115 HH21 ARG 12 HH21 ARG 12 16.294 6.982 0.610
116 HH22 ARG 12 HH22 ARG 12 15.060 7.966 -0.112
117 H TYR 13 HN TYR 13 21.155 2.726 1.765
118 HA TYR 13 HA TYR 13 23.643 3.421 2.882
119 HB2 TYR 13 HB2 TYR 13 22.381 0.736 3.368
120 HB3 TYR 13 HB1 TYR 13 23.166 1.821 4.515
121 HD1 TYR 13 HD1 TYR 13 20.172 0.471 4.173
122 HD2 TYR 13 HD2 TYR 13 21.873 4.404 3.909
123 HE1 TYR 13 HE1 TYR 13 17.969 1.469 4.729
124 HE2 TYR 13 HE2 TYR 13 19.679 5.399 4.464
125 HH TYR 13 HH TYR 13 16.807 3.354 5.005
126 H GLY 14 HN GLY 14 22.722 0.990 0.541
127 HA2 GLY 14 HA2 GLY 14 25.088 -0.564 0.595
128 HA3 GLY 14 HA1 GLY 14 23.964 -0.446 -0.757
129 H TYR 15 HN TYR 15 24.222 2.457 -0.933
130 HA TYR 15 HA TYR 15 26.581 2.521 -2.615
131 HB2 TYR 15 HB2 TYR 15 24.633 4.758 -2.061
132 HB3 TYR 15 HB1 TYR 15 25.715 4.583 -3.442
133 HD1 TYR 15 HD1 TYR 15 25.354 1.636 -4.001
134 HD2 TYR 15 HD2 TYR 15 22.480 4.703 -3.093
135 HE1 TYR 15 HE1 TYR 15 23.611 0.360 -5.209
136 HE2 TYR 15 HE2 TYR 15 20.733 3.420 -4.303
137 HH TYR 15 HH TYR 15 21.165 0.163 -5.261
138 H ARG 16 HN ARG 16 25.915 3.247 0.612
139 HA ARG 16 HA ARG 16 27.717 5.499 0.837
140 HB2 ARG 16 HB2 ARG 16 25.691 4.506 2.433
141 HB3 ARG 16 HB1 ARG 16 27.139 4.026 3.316
142 HG2 ARG 16 HG2 ARG 16 26.707 6.838 2.276
143 HG3 ARG 16 HG1 ARG 16 26.221 6.326 3.891
144 HD2 ARG 16 HD2 ARG 16 29.037 6.058 2.817
145 HD3 ARG 16 HD1 ARG 16 28.486 7.410 3.792
146 HE ARG 16 HE ARG 16 27.931 5.675 5.546
147 HH11 ARG 16 HH11 ARG 16 29.138 4.263 6.828
148 HH12 ARG 16 HH12 ARG 16 30.582 3.539 6.201
149 HH21 ARG 16 HH21 ARG 16 30.359 5.100 3.115
150 HH22 ARG 16 HH22 ARG 16 31.286 4.036 4.119
151 H ILE 17 HN ILE 17 27.878 2.017 1.388
152 HA ILE 17 HA ILE 17 30.733 2.331 2.074
153 HB ILE 17 HB ILE 17 30.483 -0.125 2.789
154 HG12 ILE 17 HG12 ILE 17 28.111 -0.539 3.666
155 HG13 ILE 17 HG11 ILE 17 27.590 0.767 2.605
156 HG21 ILE 17 HG21 ILE 17 29.253 2.232 4.241
157 HG22 ILE 17 HG22 ILE 17 30.865 1.542 4.446
158 HG23 ILE 17 HG23 ILE 17 29.449 0.653 5.002
159 HD11 ILE 17 HD11 ILE 17 28.034 -0.437 0.677
160 HD12 ILE 17 HD12 ILE 17 27.574 -1.746 1.764
161 HD13 ILE 17 HD13 ILE 17 29.277 -1.421 1.445
162 H SER 18 HN SER 18 32.153 0.608 1.365
163 HA SER 18 HA SER 18 31.498 -0.238 -1.384
164 HB2 SER 18 HB2 SER 18 34.234 0.192 -0.213
165 HB3 SER 18 HB1 SER 18 33.799 -0.002 -1.907
166 HG SER 18 HG SER 18 32.981 2.004 -1.953
167 H ARG 19 HN ARG 19 31.714 -2.373 -1.859
168 HA ARG 19 HA ARG 19 32.992 -4.105 0.178
169 HB2 ARG 19 HB2 ARG 19 30.591 -4.790 -1.541
170 HB3 ARG 19 HB1 ARG 19 31.348 -5.838 -0.344
171 HG2 ARG 19 HG2 ARG 19 30.796 -4.218 1.425
172 HG3 ARG 19 HG1 ARG 19 30.028 -3.176 0.224
173 HD2 ARG 19 HD2 ARG 19 28.248 -4.439 1.163
174 HD3 ARG 19 HD1 ARG 19 28.585 -5.181 -0.394
175 HE ARG 19 HE ARG 19 30.113 -6.469 1.628
176 HH11 ARG 19 HH11 ARG 19 29.446 -8.526 2.303
177 HH12 ARG 19 HH12 ARG 19 27.813 -9.043 2.028
178 HH21 ARG 19 HH21 ARG 19 26.874 -6.090 0.454
179 HH22 ARG 19 HH22 ARG 19 26.349 -7.653 0.976
180 H ARG 20 HN ARG 20 34.741 -4.985 -0.617
181 HA ARG 20 HA ARG 20 36.349 -5.067 -2.427
182 HB2 ARG 20 HB2 ARG 20 34.713 -7.548 -1.986
183 HB3 ARG 20 HB1 ARG 20 36.086 -7.546 -3.091
184 HG2 ARG 20 HG2 ARG 20 37.361 -6.427 -1.105
185 HG3 ARG 20 HG1 ARG 20 36.055 -7.096 -0.120
186 HD2 ARG 20 HD2 ARG 20 37.646 -8.818 -0.106
187 HD3 ARG 20 HD1 ARG 20 36.539 -9.310 -1.384
188 HE ARG 20 HE ARG 20 38.277 -9.035 -2.911
189 HH11 ARG 20 HH11 ARG 20 40.401 -8.512 -3.496
190 HH12 ARG 20 HH12 ARG 20 41.402 -7.593 -2.417
191 HH21 ARG 20 HH21 ARG 20 38.948 -7.309 0.025
192 HH22 ARG 20 HH22 ARG 20 40.571 -6.901 -0.419
193 HN1 NH2 21 H1 NH2 21 33.976 -7.165 -3.999
194 HN2 NH2 21 H2 NH2 21 33.869 -6.258 -5.430
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 3.675 -3.138 -4.127
2 H2 ARG 1 HT2 ARG 1 4.750 -3.809 -2.996
3 H3 ARG 1 HT3 ARG 1 4.992 -2.236 -3.594
4 HA ARG 1 HA ARG 1 2.564 -1.930 -2.606
5 HB2 ARG 1 HB2 ARG 1 3.919 -4.147 -1.058
6 HB3 ARG 1 HB1 ARG 1 2.761 -3.066 -0.289
7 HG2 ARG 1 HG2 ARG 1 1.617 -3.904 -2.760
8 HG3 ARG 1 HG1 ARG 1 2.233 -5.349 -1.948
9 HD2 ARG 1 HD2 ARG 1 1.087 -4.335 0.172
10 HD3 ARG 1 HD1 ARG 1 0.188 -3.356 -0.983
11 HE ARG 1 HE ARG 1 -0.784 -5.359 -1.866
12 HH11 ARG 1 HH11 ARG 1 -1.544 -7.442 -1.457
13 HH12 ARG 1 HH12 ARG 1 -0.950 -8.333 -0.102
14 HH21 ARG 1 HH21 ARG 1 1.178 -5.819 0.984
15 HH22 ARG 1 HH22 ARG 1 0.615 -7.433 1.258
16 H GLN 2 HN GLN 2 2.760 -1.108 -0.185
17 HA GLN 2 HA GLN 2 4.387 1.120 -0.143
18 HB2 GLN 2 HB2 GLN 2 3.663 -0.165 2.454
19 HB3 GLN 2 HB1 GLN 2 3.566 1.529 1.973
20 HG2 GLN 2 HG2 GLN 2 1.320 0.883 1.973
21 HG3 GLN 2 HG1 GLN 2 1.761 0.685 0.278
22 HE21 GLN 2 HE21 GLN 2 2.213 -1.374 3.208
23 HE22 GLN 2 HE22 GLN 2 1.542 -2.765 2.495
24 H TYR 3 HN TYR 3 5.117 -2.121 1.027
25 HA TYR 3 HA TYR 3 7.308 -1.487 2.626
26 HB2 TYR 3 HB2 TYR 3 7.559 -3.980 1.078
27 HB3 TYR 3 HB1 TYR 3 7.660 -3.707 2.817
28 HD1 TYR 3 HD1 TYR 3 5.326 -2.624 3.771
29 HD2 TYR 3 HD2 TYR 3 5.725 -5.286 0.434
30 HE1 TYR 3 HE1 TYR 3 2.963 -3.270 4.007
31 HE2 TYR 3 HE2 TYR 3 3.367 -5.933 0.663
32 HH TYR 3 HH TYR 3 1.577 -5.546 3.260
33 H MET 4 HN MET 4 7.148 -1.995 -0.874
34 HA MET 4 HA MET 4 9.875 -2.145 -1.442
35 HB2 MET 4 HB2 MET 4 7.862 -0.636 -3.116
36 HB3 MET 4 HB1 MET 4 9.334 -1.432 -3.665
37 HG2 MET 4 HG2 MET 4 6.730 -2.653 -2.820
38 HG3 MET 4 HG1 MET 4 7.726 -3.015 -4.223
39 HE1 MET 4 HE1 MET 4 6.381 -5.162 -2.058
40 HE2 MET 4 HE2 MET 4 6.589 -3.859 -0.890
41 HE3 MET 4 HE3 MET 4 7.370 -5.412 -0.607
42 H ARG 5 HN ARG 5 7.989 0.443 -0.263
43 HA ARG 5 HA ARG 5 9.394 2.684 -1.186
44 HB2 ARG 5 HB2 ARG 5 7.176 2.699 -0.047
45 HB3 ARG 5 HB1 ARG 5 7.997 2.339 1.472
46 HG2 ARG 5 HG2 ARG 5 9.424 4.501 0.487
47 HG3 ARG 5 HG1 ARG 5 7.761 4.876 0.036
48 HD2 ARG 5 HD2 ARG 5 7.167 5.282 2.178
49 HD3 ARG 5 HD1 ARG 5 7.943 3.805 2.749
50 HE ARG 5 HE ARG 5 9.808 5.930 2.078
51 HH11 ARG 5 HH11 ARG 5 10.959 6.811 3.824
52 HH12 ARG 5 HH12 ARG 5 10.453 6.483 5.448
53 HH21 ARG 5 HH21 ARG 5 7.737 4.550 4.499
54 HH22 ARG 5 HH22 ARG 5 8.646 5.179 5.829
55 H GLN 6 HN GLN 6 9.949 0.675 1.730
56 HA GLN 6 HA GLN 6 12.072 2.404 2.658
57 HB2 GLN 6 HB2 GLN 6 12.568 0.456 4.222
58 HB3 GLN 6 HB1 GLN 6 10.953 1.148 4.356
59 HG2 GLN 6 HG2 GLN 6 11.131 -0.987 2.348
60 HG3 GLN 6 HG1 GLN 6 11.510 -1.538 3.974
61 HE21 GLN 6 HE21 GLN 6 9.219 1.043 2.988
62 HE22 GLN 6 HE22 GLN 6 7.854 0.296 3.658
63 H ILE 7 HN ILE 7 11.806 -0.476 0.804
64 HA ILE 7 HA ILE 7 14.547 -1.183 0.760
65 HB ILE 7 HB ILE 7 12.874 -2.001 -1.509
66 HG12 ILE 7 HG12 ILE 7 12.003 -2.448 1.346
67 HG13 ILE 7 HG11 ILE 7 11.051 -1.834 -0.001
68 HG21 ILE 7 HG21 ILE 7 15.054 -3.024 -0.701
69 HG22 ILE 7 HG22 ILE 7 13.731 -4.168 -0.924
70 HG23 ILE 7 HG23 ILE 7 14.160 -3.624 0.698
71 HD11 ILE 7 HD11 ILE 7 10.326 -4.031 -0.007
72 HD12 ILE 7 HD12 ILE 7 11.859 -4.639 0.621
73 HD13 ILE 7 HD13 ILE 7 11.721 -4.182 -1.076
74 H GLU 8 HN GLU 8 12.452 0.764 -1.248
75 HA GLU 8 HA GLU 8 14.206 1.136 -3.439
76 HB2 GLU 8 HB2 GLU 8 11.802 2.549 -2.339
77 HB3 GLU 8 HB1 GLU 8 12.712 3.257 -3.673
78 HG2 GLU 8 HG2 GLU 8 12.022 0.370 -3.921
79 HG3 GLU 8 HG1 GLU 8 10.684 1.507 -4.053
80 H GLN 9 HN GLN 9 13.646 2.786 -0.435
81 HA GLN 9 HA GLN 9 15.433 4.961 -0.929
82 HB2 GLN 9 HB2 GLN 9 14.148 3.863 1.570
83 HB3 GLN 9 HB1 GLN 9 15.030 5.387 1.500
84 HG2 GLN 9 HG2 GLN 9 13.417 6.349 0.025
85 HG3 GLN 9 HG1 GLN 9 12.680 4.784 -0.300
86 HE21 GLN 9 HE21 GLN 9 13.435 4.797 2.949
87 HE22 GLN 9 HE22 GLN 9 11.951 5.330 3.567
88 H ALA 10 HN ALA 10 15.637 1.776 0.426
89 HA ALA 10 HA ALA 10 17.974 2.053 1.970
90 HB1 ALA 10 HB1 ALA 10 16.537 -0.271 0.762
91 HB2 ALA 10 HB2 ALA 10 16.746 0.148 2.462
92 HB3 ALA 10 HB3 ALA 10 18.097 -0.509 1.543
93 H LEU 11 HN LEU 11 17.575 1.212 -1.453
94 HA LEU 11 HA LEU 11 20.074 0.222 -2.028
95 HB2 LEU 11 HB2 LEU 11 18.373 2.103 -3.669
96 HB3 LEU 11 HB1 LEU 11 19.829 1.338 -4.294
97 HG LEU 11 HG LEU 11 18.539 -0.396 -4.895
98 HD11 LEU 11 HD11 LEU 11 17.826 -1.991 -3.172
99 HD12 LEU 11 HD12 LEU 11 18.060 -0.772 -1.924
100 HD13 LEU 11 HD13 LEU 11 19.446 -1.380 -2.833
101 HD21 LEU 11 HD21 LEU 11 16.456 1.060 -3.285
102 HD22 LEU 11 HD22 LEU 11 16.105 -0.520 -3.973
103 HD23 LEU 11 HD23 LEU 11 16.547 0.824 -5.022
104 H ARG 12 HN ARG 12 19.297 3.440 -1.061
105 HA ARG 12 HA ARG 12 21.553 4.811 -2.045
106 HB2 ARG 12 HB2 ARG 12 19.711 5.223 0.306
107 HB3 ARG 12 HB1 ARG 12 21.100 6.280 0.045
108 HG2 ARG 12 HG2 ARG 12 20.227 7.172 -1.916
109 HG3 ARG 12 HG1 ARG 12 19.247 5.738 -2.252
110 HD2 ARG 12 HD2 ARG 12 17.767 6.301 -0.356
111 HD3 ARG 12 HD1 ARG 12 18.745 7.725 -0.013
112 HE ARG 12 HE ARG 12 18.080 8.270 -2.523
113 HH11 ARG 12 HH11 ARG 12 16.115 9.093 -3.306
114 HH12 ARG 12 HH12 ARG 12 14.634 8.783 -2.457
115 HH21 ARG 12 HH21 ARG 12 16.181 6.950 0.071
116 HH22 ARG 12 HH22 ARG 12 14.681 7.567 -0.530
117 H TYR 13 HN TYR 13 20.944 3.107 1.011
118 HA TYR 13 HA TYR 13 23.479 3.633 2.169
119 HB2 TYR 13 HB2 TYR 13 21.985 1.110 2.823
120 HB3 TYR 13 HB1 TYR 13 22.823 2.220 3.899
121 HD1 TYR 13 HD1 TYR 13 21.595 4.802 2.784
122 HD2 TYR 13 HD2 TYR 13 19.877 1.042 3.950
123 HE1 TYR 13 HE1 TYR 13 19.454 5.934 3.273
124 HE2 TYR 13 HE2 TYR 13 17.727 2.177 4.437
125 HH TYR 13 HH TYR 13 16.540 4.221 3.828
126 H GLY 14 HN GLY 14 22.369 1.314 -0.175
127 HA2 GLY 14 HA2 GLY 14 24.370 -0.653 0.103
128 HA3 GLY 14 HA1 GLY 14 23.496 -0.295 -1.390
129 H TYR 15 HN TYR 15 24.316 2.429 -1.604
130 HA TYR 15 HA TYR 15 26.960 1.998 -2.740
131 HB2 TYR 15 HB2 TYR 15 25.307 4.527 -2.753
132 HB3 TYR 15 HB1 TYR 15 26.634 4.104 -3.834
133 HD1 TYR 15 HD1 TYR 15 26.027 1.244 -4.414
134 HD2 TYR 15 HD2 TYR 15 23.406 4.644 -4.184
135 HE1 TYR 15 HE1 TYR 15 24.434 0.127 -5.939
136 HE2 TYR 15 HE2 TYR 15 21.818 3.516 -5.715
137 HH TYR 15 HH TYR 15 22.647 0.493 -7.302
138 H ARG 16 HN ARG 16 25.721 3.106 0.198
139 HA ARG 16 HA ARG 16 27.879 4.981 0.745
140 HB2 ARG 16 HB2 ARG 16 25.486 5.264 1.553
141 HB3 ARG 16 HB1 ARG 16 25.807 3.953 2.689
142 HG2 ARG 16 HG2 ARG 16 27.988 5.801 2.842
143 HG3 ARG 16 HG1 ARG 16 26.489 6.725 2.949
144 HD2 ARG 16 HD2 ARG 16 27.257 4.329 4.644
145 HD3 ARG 16 HD1 ARG 16 27.161 5.996 5.193
146 HE ARG 16 HE ARG 16 24.681 5.759 4.484
147 HH11 ARG 16 HH11 ARG 16 22.955 4.640 5.381
148 HH12 ARG 16 HH12 ARG 16 23.218 3.166 6.255
149 HH21 ARG 16 HH21 ARG 16 26.679 3.205 5.789
150 HH22 ARG 16 HH22 ARG 16 25.347 2.345 6.483
151 H ILE 17 HN ILE 17 28.039 1.816 0.460
152 HA ILE 17 HA ILE 17 29.829 1.541 2.789
153 HB ILE 17 HB ILE 17 29.233 -0.964 2.630
154 HG12 ILE 17 HG12 ILE 17 26.713 -1.140 2.002
155 HG13 ILE 17 HG11 ILE 17 26.992 0.326 1.069
156 HG21 ILE 17 HG21 ILE 17 27.382 -0.628 4.217
157 HG22 ILE 17 HG22 ILE 17 27.178 1.028 3.652
158 HG23 ILE 17 HG23 ILE 17 28.646 0.562 4.507
159 HD11 ILE 17 HD11 ILE 17 28.558 -0.735 -0.343
160 HD12 ILE 17 HD12 ILE 17 27.295 -1.946 -0.135
161 HD13 ILE 17 HD13 ILE 17 28.798 -2.075 0.778
162 H SER 18 HN SER 18 31.472 -0.171 2.473
163 HA SER 18 HA SER 18 32.527 -0.015 -0.269
164 HB2 SER 18 HB2 SER 18 33.791 -0.719 2.374
165 HB3 SER 18 HB1 SER 18 34.615 -0.895 0.828
166 HG SER 18 HG SER 18 33.975 1.377 2.276
167 H ARG 19 HN ARG 19 32.950 -1.777 -1.473
168 HA ARG 19 HA ARG 19 32.280 -4.405 -0.309
169 HB2 ARG 19 HB2 ARG 19 31.799 -3.434 -3.147
170 HB3 ARG 19 HB1 ARG 19 31.455 -5.057 -2.544
171 HG2 ARG 19 HG2 ARG 19 29.805 -4.213 -0.995
172 HG3 ARG 19 HG1 ARG 19 30.255 -2.544 -1.342
173 HD2 ARG 19 HD2 ARG 19 29.663 -3.408 -3.853
174 HD3 ARG 19 HD1 ARG 19 28.552 -4.405 -2.911
175 HE ARG 19 HE ARG 19 28.566 -1.573 -2.223
176 HH11 ARG 19 HH11 ARG 19 26.584 -0.521 -2.522
177 HH12 ARG 19 HH12 ARG 19 25.343 -1.282 -3.474
178 HH21 ARG 19 HH21 ARG 19 27.202 -4.104 -4.163
179 HH22 ARG 19 HH22 ARG 19 25.693 -3.290 -4.403
180 H ARG 20 HN ARG 20 33.997 -5.656 -0.213
181 HA ARG 20 HA ARG 20 36.557 -5.240 -0.787
182 HB2 ARG 20 HB2 ARG 20 34.983 -7.783 -1.056
183 HB3 ARG 20 HB1 ARG 20 36.706 -7.764 -1.430
184 HG2 ARG 20 HG2 ARG 20 37.219 -6.915 0.804
185 HG3 ARG 20 HG1 ARG 20 35.496 -6.813 1.181
186 HD2 ARG 20 HD2 ARG 20 35.278 -9.074 1.469
187 HD3 ARG 20 HD1 ARG 20 36.454 -9.451 0.213
188 HE ARG 20 HE ARG 20 37.655 -8.276 2.561
189 HH11 ARG 20 HH11 ARG 20 38.941 -9.670 3.830
190 HH12 ARG 20 HH12 ARG 20 38.849 -11.383 3.603
191 HH21 ARG 20 HH21 ARG 20 36.486 -11.181 1.063
192 HH22 ARG 20 HH22 ARG 20 37.460 -12.242 2.023
193 HN1 NH2 21 H1 NH2 21 34.246 -6.265 -3.326
194 HN2 NH2 21 H2 NH2 21 35.300 -5.941 -4.615
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 4.966 -1.990 -4.888
2 H2 ARG 1 HT2 ARG 1 5.995 -0.813 -4.226
3 H3 ARG 1 HT3 ARG 1 4.907 -0.392 -5.453
4 HA ARG 1 HA ARG 1 3.192 -0.182 -4.081
5 HB2 ARG 1 HB2 ARG 1 4.386 -2.559 -2.656
6 HB3 ARG 1 HB1 ARG 1 2.993 -1.687 -2.020
7 HG2 ARG 1 HG2 ARG 1 2.600 -2.228 -4.829
8 HG3 ARG 1 HG1 ARG 1 2.998 -3.724 -3.984
9 HD2 ARG 1 HD2 ARG 1 1.244 -3.085 -2.258
10 HD3 ARG 1 HD1 ARG 1 0.739 -1.803 -3.369
11 HE ARG 1 HE ARG 1 0.844 -4.213 -4.812
12 HH11 ARG 1 HH11 ARG 1 -1.076 -5.305 -5.292
13 HH12 ARG 1 HH12 ARG 1 -2.482 -5.051 -4.312
14 HH21 ARG 1 HH21 ARG 1 -0.927 -2.796 -2.184
15 HH22 ARG 1 HH22 ARG 1 -2.394 -3.644 -2.543
16 H GLN 2 HN GLN 2 2.899 0.321 -1.586
17 HA GLN 2 HA GLN 2 4.508 2.516 -0.986
18 HB2 GLN 2 HB2 GLN 2 3.097 1.035 1.199
19 HB3 GLN 2 HB1 GLN 2 3.213 2.769 0.914
20 HG2 GLN 2 HG2 GLN 2 1.240 2.722 -0.163
21 HG3 GLN 2 HG1 GLN 2 1.902 1.613 -1.353
22 HE21 GLN 2 HE21 GLN 2 2.173 -0.772 -0.118
23 HE22 GLN 2 HE22 GLN 2 0.727 -1.285 0.608
24 H TYR 3 HN TYR 3 4.583 -0.737 0.530
25 HA TYR 3 HA TYR 3 6.592 -0.163 2.371
26 HB2 TYR 3 HB2 TYR 3 6.670 -2.883 1.243
27 HB3 TYR 3 HB1 TYR 3 6.544 -2.350 2.919
28 HD1 TYR 3 HD1 TYR 3 4.288 -0.781 3.217
29 HD2 TYR 3 HD2 TYR 3 4.781 -4.092 0.535
30 HE1 TYR 3 HE1 TYR 3 1.849 -1.082 3.141
31 HE2 TYR 3 HE2 TYR 3 2.344 -4.397 0.458
32 HH TYR 3 HH TYR 3 0.302 -3.458 2.513
33 H MET 4 HN MET 4 6.843 -1.108 -1.006
34 HA MET 4 HA MET 4 9.528 -1.830 -1.091
35 HB2 MET 4 HB2 MET 4 7.968 -0.323 -3.201
36 HB3 MET 4 HB1 MET 4 9.471 -1.206 -3.462
37 HG2 MET 4 HG2 MET 4 6.710 -2.252 -3.065
38 HG3 MET 4 HG1 MET 4 8.027 -2.901 -4.038
39 HE1 MET 4 HE1 MET 4 6.088 -2.913 -0.793
40 HE2 MET 4 HE2 MET 4 6.477 -4.563 -0.318
41 HE3 MET 4 HE3 MET 4 5.843 -4.251 -1.931
42 H ARG 5 HN ARG 5 8.146 1.202 -0.366
43 HA ARG 5 HA ARG 5 10.119 2.930 -1.355
44 HB2 ARG 5 HB2 ARG 5 9.187 4.607 -0.029
45 HB3 ARG 5 HB1 ARG 5 7.839 3.528 -0.378
46 HG2 ARG 5 HG2 ARG 5 7.901 2.566 1.795
47 HG3 ARG 5 HG1 ARG 5 9.495 3.233 2.134
48 HD2 ARG 5 HD2 ARG 5 7.223 4.362 3.016
49 HD3 ARG 5 HD1 ARG 5 8.682 5.283 2.669
50 HE ARG 5 HE ARG 5 6.263 5.145 0.990
51 HH11 ARG 5 HH11 ARG 5 6.087 6.879 -0.474
52 HH12 ARG 5 HH12 ARG 5 7.429 7.954 -0.712
53 HH21 ARG 5 HH21 ARG 5 9.478 6.327 1.564
54 HH22 ARG 5 HH22 ARG 5 9.343 7.635 0.436
55 H GLN 6 HN GLN 6 9.962 1.160 1.714
56 HA GLN 6 HA GLN 6 12.356 2.420 2.716
57 HB2 GLN 6 HB2 GLN 6 12.254 0.596 4.465
58 HB3 GLN 6 HB1 GLN 6 10.808 1.599 4.363
59 HG2 GLN 6 HG2 GLN 6 10.639 -0.653 2.540
60 HG3 GLN 6 HG1 GLN 6 10.915 -1.201 4.188
61 HE21 GLN 6 HE21 GLN 6 9.057 1.535 2.791
62 HE22 GLN 6 HE22 GLN 6 7.605 1.162 3.582
63 H ILE 7 HN ILE 7 11.524 -0.541 1.099
64 HA ILE 7 HA ILE 7 14.052 -1.798 1.347
65 HB ILE 7 HB ILE 7 12.279 -2.505 -0.922
66 HG12 ILE 7 HG12 ILE 7 11.378 -2.455 1.967
67 HG13 ILE 7 HG11 ILE 7 10.507 -1.898 0.540
68 HG21 ILE 7 HG21 ILE 7 13.126 -4.222 1.409
69 HG22 ILE 7 HG22 ILE 7 14.297 -3.779 0.166
70 HG23 ILE 7 HG23 ILE 7 12.857 -4.695 -0.269
71 HD11 ILE 7 HD11 ILE 7 9.443 -3.926 0.891
72 HD12 ILE 7 HD12 ILE 7 10.885 -4.680 1.562
73 HD13 ILE 7 HD13 ILE 7 10.743 -4.448 -0.180
74 H GLU 8 HN GLU 8 12.547 0.284 -1.019
75 HA GLU 8 HA GLU 8 14.528 -0.004 -3.047
76 HB2 GLU 8 HB2 GLU 8 12.288 1.898 -2.443
77 HB3 GLU 8 HB1 GLU 8 13.414 2.239 -3.759
78 HG2 GLU 8 HG2 GLU 8 12.396 -0.533 -3.684
79 HG3 GLU 8 HG1 GLU 8 11.174 0.689 -4.028
80 H GLN 9 HN GLN 9 13.853 2.360 -0.555
81 HA GLN 9 HA GLN 9 16.064 4.043 -1.118
82 HB2 GLN 9 HB2 GLN 9 14.274 3.682 1.285
83 HB3 GLN 9 HB1 GLN 9 15.522 4.927 1.199
84 HG2 GLN 9 HG2 GLN 9 13.378 4.605 -0.907
85 HG3 GLN 9 HG1 GLN 9 13.192 5.658 0.493
86 HE21 GLN 9 HE21 GLN 9 15.548 6.988 0.752
87 HE22 GLN 9 HE22 GLN 9 15.972 7.794 -0.682
88 H ALA 10 HN ALA 10 15.618 1.177 0.812
89 HA ALA 10 HA ALA 10 17.743 1.374 2.590
90 HB1 ALA 10 HB1 ALA 10 16.270 -0.430 2.932
91 HB2 ALA 10 HB2 ALA 10 17.763 -1.198 2.394
92 HB3 ALA 10 HB3 ALA 10 16.426 -0.986 1.267
93 H LEU 11 HN LEU 11 17.724 0.171 -0.741
94 HA LEU 11 HA LEU 11 20.319 -0.791 -0.887
95 HB2 LEU 11 HB2 LEU 11 18.636 0.599 -2.974
96 HB3 LEU 11 HB1 LEU 11 20.214 -0.090 -3.326
97 HG LEU 11 HG LEU 11 19.145 -2.030 -3.733
98 HD11 LEU 11 HD11 LEU 11 20.007 -2.565 -1.488
99 HD12 LEU 11 HD12 LEU 11 18.475 -3.387 -1.781
100 HD13 LEU 11 HD13 LEU 11 18.520 -1.946 -0.768
101 HD21 LEU 11 HD21 LEU 11 16.893 -0.400 -2.790
102 HD22 LEU 11 HD22 LEU 11 16.671 -2.125 -2.503
103 HD23 LEU 11 HD23 LEU 11 16.972 -1.535 -4.139
104 H ARG 12 HN ARG 12 19.285 2.449 -0.425
105 HA ARG 12 HA ARG 12 21.366 3.904 -1.611
106 HB2 ARG 12 HB2 ARG 12 19.313 4.873 -0.594
107 HB3 ARG 12 HB1 ARG 12 19.934 4.445 0.997
108 HG2 ARG 12 HG2 ARG 12 22.063 5.803 -0.126
109 HG3 ARG 12 HG1 ARG 12 20.666 6.680 -0.758
110 HD2 ARG 12 HD2 ARG 12 20.624 5.936 2.126
111 HD3 ARG 12 HD1 ARG 12 21.706 7.234 1.641
112 HE ARG 12 HE ARG 12 18.760 7.237 1.350
113 HH11 ARG 12 HH11 ARG 12 17.868 9.289 1.110
114 HH12 ARG 12 HH12 ARG 12 18.891 10.682 1.009
115 HH21 ARG 12 HH21 ARG 12 21.822 8.872 1.262
116 HH22 ARG 12 HH22 ARG 12 21.124 10.442 1.104
117 H TYR 13 HN TYR 13 21.039 2.467 1.604
118 HA TYR 13 HA TYR 13 23.567 3.258 2.603
119 HB2 TYR 13 HB2 TYR 13 22.424 0.609 3.410
120 HB3 TYR 13 HB1 TYR 13 23.162 1.857 4.408
121 HD1 TYR 13 HD1 TYR 13 21.651 4.263 3.562
122 HD2 TYR 13 HD2 TYR 13 20.287 0.269 4.354
123 HE1 TYR 13 HE1 TYR 13 19.397 5.137 4.114
124 HE2 TYR 13 HE2 TYR 13 18.038 1.143 4.904
125 HH TYR 13 HH TYR 13 17.003 3.200 5.628
126 H GLY 14 HN GLY 14 22.502 0.624 0.569
127 HA2 GLY 14 HA2 GLY 14 24.830 -0.976 0.650
128 HA3 GLY 14 HA1 GLY 14 23.640 -0.954 -0.651
129 H TYR 15 HN TYR 15 23.893 1.813 -1.267
130 HA TYR 15 HA TYR 15 26.275 1.659 -2.925
131 HB2 TYR 15 HB2 TYR 15 24.263 3.908 -2.766
132 HB3 TYR 15 HB1 TYR 15 25.389 3.572 -4.076
133 HD1 TYR 15 HD1 TYR 15 22.088 3.519 -3.532
134 HD2 TYR 15 HD2 TYR 15 25.192 0.722 -4.537
135 HE1 TYR 15 HE1 TYR 15 20.416 2.053 -4.622
136 HE2 TYR 15 HE2 TYR 15 23.517 -0.742 -5.626
137 HH TYR 15 HH TYR 15 20.074 -0.090 -5.356
138 H ARG 16 HN ARG 16 25.331 3.120 0.043
139 HA ARG 16 HA ARG 16 27.248 5.272 -0.089
140 HB2 ARG 16 HB2 ARG 16 25.014 4.621 1.533
141 HB3 ARG 16 HB1 ARG 16 26.411 4.776 2.597
142 HG2 ARG 16 HG2 ARG 16 25.670 6.817 0.480
143 HG3 ARG 16 HG1 ARG 16 25.202 6.945 2.173
144 HD2 ARG 16 HD2 ARG 16 27.611 6.849 2.812
145 HD3 ARG 16 HD1 ARG 16 28.040 6.819 1.107
146 HE ARG 16 HE ARG 16 27.217 9.074 0.910
147 HH11 ARG 16 HH11 ARG 16 27.140 11.097 1.907
148 HH12 ARG 16 HH12 ARG 16 27.141 11.219 3.634
149 HH21 ARG 16 HH21 ARG 16 27.250 7.788 4.149
150 HH22 ARG 16 HH22 ARG 16 27.199 9.343 4.909
151 H ILE 17 HN ILE 17 27.623 1.985 0.471
152 HA ILE 17 HA ILE 17 30.031 2.521 2.104
153 HB ILE 17 HB ILE 17 29.860 0.058 2.736
154 HG12 ILE 17 HG12 ILE 17 27.395 -0.701 2.736
155 HG13 ILE 17 HG11 ILE 17 27.139 0.527 1.496
156 HG21 ILE 17 HG21 ILE 17 27.751 2.046 3.653
157 HG22 ILE 17 HG22 ILE 17 29.370 1.840 4.322
158 HG23 ILE 17 HG23 ILE 17 28.169 0.564 4.512
159 HD11 ILE 17 HD11 ILE 17 28.295 -0.636 -0.087
160 HD12 ILE 17 HD12 ILE 17 27.894 -2.017 0.931
161 HD13 ILE 17 HD13 ILE 17 29.472 -1.250 1.071
162 H SER 18 HN SER 18 31.777 0.946 1.761
163 HA SER 18 HA SER 18 32.114 0.484 -1.121
164 HB2 SER 18 HB2 SER 18 34.214 0.214 1.022
165 HB3 SER 18 HB1 SER 18 34.450 0.494 -0.699
166 HG SER 18 HG SER 18 33.071 2.504 -0.109
167 H ARG 19 HN ARG 19 32.986 -1.499 -1.845
168 HA ARG 19 HA ARG 19 32.926 -3.758 0.018
169 HB2 ARG 19 HB2 ARG 19 31.487 -3.821 -2.639
170 HB3 ARG 19 HB1 ARG 19 31.525 -5.090 -1.419
171 HG2 ARG 19 HG2 ARG 19 30.250 -3.741 0.119
172 HG3 ARG 19 HG1 ARG 19 30.379 -2.331 -0.928
173 HD2 ARG 19 HD2 ARG 19 29.313 -4.267 -2.601
174 HD3 ARG 19 HD1 ARG 19 28.520 -4.590 -1.064
175 HE ARG 19 HE ARG 19 28.243 -1.908 -1.288
176 HH11 ARG 19 HH11 ARG 19 26.497 -0.889 -2.359
177 HH12 ARG 19 HH12 ARG 19 25.733 -1.694 -3.693
178 HH21 ARG 19 HH21 ARG 19 27.768 -4.495 -3.526
179 HH22 ARG 19 HH22 ARG 19 26.453 -3.732 -4.352
180 H ARG 20 HN ARG 20 34.743 -4.797 -0.226
181 HA ARG 20 HA ARG 20 36.629 -4.294 -2.241
182 HB2 ARG 20 HB2 ARG 20 36.299 -6.668 -0.389
183 HB3 ARG 20 HB1 ARG 20 37.692 -6.430 -1.442
184 HG2 ARG 20 HG2 ARG 20 38.140 -4.252 -0.369
185 HG3 ARG 20 HG1 ARG 20 36.763 -4.496 0.702
186 HD2 ARG 20 HD2 ARG 20 38.318 -6.840 0.920
187 HD3 ARG 20 HD1 ARG 20 39.464 -5.514 0.938
188 HE ARG 20 HE ARG 20 38.423 -4.677 2.904
189 HH11 ARG 20 HH11 ARG 20 37.378 -5.196 4.848
190 HH12 ARG 20 HH12 ARG 20 36.434 -6.648 4.959
191 HH21 ARG 20 HH21 ARG 20 36.994 -7.612 1.693
192 HH22 ARG 20 HH22 ARG 20 36.241 -8.021 3.193
193 HN1 NH2 21 H1 NH2 21 35.794 -4.582 -4.390
194 HN2 NH2 21 H2 NH2 21 35.283 -6.088 -4.977
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 6.129 -3.451 -3.962
2 H2 ARG 1 HT2 ARG 1 6.482 -2.020 -4.807
3 H3 ARG 1 HT3 ARG 1 5.479 -3.204 -5.496
4 HA ARG 1 HA ARG 1 3.992 -1.625 -4.792
5 HB2 ARG 1 HB2 ARG 1 4.337 -3.805 -2.746
6 HB3 ARG 1 HB1 ARG 1 3.026 -2.629 -2.626
7 HG2 ARG 1 HG2 ARG 1 3.518 -4.017 -5.236
8 HG3 ARG 1 HG1 ARG 1 2.642 -4.859 -3.961
9 HD2 ARG 1 HD2 ARG 1 0.805 -3.774 -4.649
10 HD3 ARG 1 HD1 ARG 1 1.522 -2.313 -3.975
11 HE ARG 1 HE ARG 1 2.656 -2.379 -6.417
12 HH11 ARG 1 HH11 ARG 1 1.731 -1.570 -8.326
13 HH12 ARG 1 HH12 ARG 1 0.010 -1.493 -8.489
14 HH21 ARG 1 HH21 ARG 1 -0.612 -2.829 -5.358
15 HH22 ARG 1 HH22 ARG 1 -1.318 -2.212 -6.813
16 H GLN 2 HN GLN 2 3.178 -0.720 -2.400
17 HA GLN 2 HA GLN 2 4.762 1.478 -1.883
18 HB2 GLN 2 HB2 GLN 2 3.099 0.398 0.339
19 HB3 GLN 2 HB1 GLN 2 3.272 2.053 -0.239
20 HG2 GLN 2 HG2 GLN 2 1.206 1.625 -1.140
21 HG3 GLN 2 HG1 GLN 2 2.174 0.943 -2.443
22 HE21 GLN 2 HE21 GLN 2 1.492 -0.380 0.827
23 HE22 GLN 2 HE22 GLN 2 0.799 -1.822 0.255
24 H TYR 3 HN TYR 3 4.684 -1.555 0.048
25 HA TYR 3 HA TYR 3 6.358 -0.671 2.082
26 HB2 TYR 3 HB2 TYR 3 6.762 -3.479 1.257
27 HB3 TYR 3 HB1 TYR 3 6.390 -2.797 2.843
28 HD1 TYR 3 HD1 TYR 3 4.035 -1.546 2.946
29 HD2 TYR 3 HD2 TYR 3 5.048 -4.676 0.188
30 HE1 TYR 3 HE1 TYR 3 1.646 -1.997 2.577
31 HE2 TYR 3 HE2 TYR 3 2.663 -5.132 -0.186
32 HH TYR 3 HH TYR 3 0.500 -4.801 1.093
33 H MET 4 HN MET 4 7.225 -1.689 -1.147
34 HA MET 4 HA MET 4 9.911 -2.324 -0.729
35 HB2 MET 4 HB2 MET 4 8.799 -0.851 -3.124
36 HB3 MET 4 HB1 MET 4 10.261 -1.838 -3.066
37 HG2 MET 4 HG2 MET 4 7.394 -2.697 -3.042
38 HG3 MET 4 HG1 MET 4 8.751 -3.373 -3.936
39 HE1 MET 4 HE1 MET 4 6.534 -3.432 -0.924
40 HE2 MET 4 HE2 MET 4 6.870 -5.063 -0.369
41 HE3 MET 4 HE3 MET 4 6.375 -4.799 -2.033
42 H ARG 5 HN ARG 5 8.304 0.711 -0.456
43 HA ARG 5 HA ARG 5 10.379 2.452 -1.121
44 HB2 ARG 5 HB2 ARG 5 9.247 4.121 0.322
45 HB3 ARG 5 HB1 ARG 5 8.167 3.314 -0.810
46 HG2 ARG 5 HG2 ARG 5 6.859 2.770 0.922
47 HG3 ARG 5 HG1 ARG 5 8.140 1.715 1.501
48 HD2 ARG 5 HD2 ARG 5 7.758 3.143 3.338
49 HD3 ARG 5 HD1 ARG 5 9.135 3.901 2.539
50 HE ARG 5 HE ARG 5 7.766 5.692 1.989
51 HH11 ARG 5 HH11 ARG 5 5.786 6.797 1.925
52 HH12 ARG 5 HH12 ARG 5 4.318 5.965 2.321
53 HH21 ARG 5 HH21 ARG 5 5.874 2.926 2.859
54 HH22 ARG 5 HH22 ARG 5 4.367 3.775 2.834
55 H GLN 6 HN GLN 6 9.859 0.741 1.957
56 HA GLN 6 HA GLN 6 11.925 2.258 3.301
57 HB2 GLN 6 HB2 GLN 6 11.848 0.310 4.952
58 HB3 GLN 6 HB1 GLN 6 10.361 1.236 4.762
59 HG2 GLN 6 HG2 GLN 6 10.486 -0.927 2.822
60 HG3 GLN 6 HG1 GLN 6 10.653 -1.543 4.464
61 HE21 GLN 6 HE21 GLN 6 8.666 0.905 2.720
62 HE22 GLN 6 HE22 GLN 6 7.222 0.521 3.518
63 H ILE 7 HN ILE 7 11.682 -0.723 1.580
64 HA ILE 7 HA ILE 7 14.311 -1.676 2.105
65 HB ILE 7 HB ILE 7 12.933 -2.591 -0.338
66 HG12 ILE 7 HG12 ILE 7 11.612 -2.684 2.389
67 HG13 ILE 7 HG11 ILE 7 10.929 -2.117 0.867
68 HG21 ILE 7 HG21 ILE 7 13.472 -4.289 2.056
69 HG22 ILE 7 HG22 ILE 7 14.871 -3.590 1.240
70 HG23 ILE 7 HG23 ILE 7 13.761 -4.639 0.355
71 HD11 ILE 7 HD11 ILE 7 11.532 -4.603 0.101
72 HD12 ILE 7 HD12 ILE 7 10.007 -4.223 0.898
73 HD13 ILE 7 HD13 ILE 7 11.343 -4.906 1.825
74 H GLU 8 HN GLU 8 12.740 0.105 -0.464
75 HA GLU 8 HA GLU 8 14.942 0.194 -2.249
76 HB2 GLU 8 HB2 GLU 8 12.413 1.783 -1.898
77 HB3 GLU 8 HB1 GLU 8 13.620 2.256 -3.095
78 HG2 GLU 8 HG2 GLU 8 13.503 -0.300 -3.757
79 HG3 GLU 8 HG1 GLU 8 11.923 -0.215 -2.990
80 H GLN 9 HN GLN 9 13.730 2.302 0.261
81 HA GLN 9 HA GLN 9 15.543 4.420 -0.072
82 HB2 GLN 9 HB2 GLN 9 13.916 3.405 2.248
83 HB3 GLN 9 HB1 GLN 9 14.956 4.820 2.399
84 HG2 GLN 9 HG2 GLN 9 13.010 4.634 0.114
85 HG3 GLN 9 HG1 GLN 9 12.442 5.139 1.703
86 HE21 GLN 9 HE21 GLN 9 14.393 6.769 2.676
87 HE22 GLN 9 HE22 GLN 9 14.694 8.070 1.629
88 H ALA 10 HN ALA 10 15.773 1.350 1.553
89 HA ALA 10 HA ALA 10 18.045 1.864 3.148
90 HB1 ALA 10 HB1 ALA 10 17.530 -0.816 1.889
91 HB2 ALA 10 HB2 ALA 10 16.448 -0.183 3.128
92 HB3 ALA 10 HB3 ALA 10 18.152 -0.450 3.500
93 H LEU 11 HN LEU 11 17.728 0.714 -0.195
94 HA LEU 11 HA LEU 11 20.366 0.057 -0.756
95 HB2 LEU 11 HB2 LEU 11 18.192 1.261 -2.448
96 HB3 LEU 11 HB1 LEU 11 19.778 0.899 -3.117
97 HG LEU 11 HG LEU 11 19.446 -1.355 -3.064
98 HD11 LEU 11 HD11 LEU 11 19.382 -1.582 -0.634
99 HD12 LEU 11 HD12 LEU 11 18.085 -2.537 -1.342
100 HD13 LEU 11 HD13 LEU 11 17.717 -0.984 -0.599
101 HD21 LEU 11 HD21 LEU 11 17.592 -1.143 -4.368
102 HD22 LEU 11 HD22 LEU 11 16.852 0.036 -3.286
103 HD23 LEU 11 HD23 LEU 11 16.731 -1.688 -2.937
104 H ARG 12 HN ARG 12 19.084 3.161 -0.020
105 HA ARG 12 HA ARG 12 20.816 4.856 -1.421
106 HB2 ARG 12 HB2 ARG 12 19.489 5.085 1.280
107 HB3 ARG 12 HB1 ARG 12 20.474 6.379 0.602
108 HG2 ARG 12 HG2 ARG 12 19.009 6.653 -1.263
109 HG3 ARG 12 HG1 ARG 12 18.165 5.144 -0.910
110 HD2 ARG 12 HD2 ARG 12 17.413 6.125 1.266
111 HD3 ARG 12 HD1 ARG 12 18.156 7.650 0.799
112 HE ARG 12 HE ARG 12 15.676 6.543 -0.226
113 HH11 ARG 12 HH11 ARG 12 14.526 7.889 -1.606
114 HH12 ARG 12 HH12 ARG 12 15.285 9.283 -2.309
115 HH21 ARG 12 HH21 ARG 12 18.339 8.726 -0.728
116 HH22 ARG 12 HH22 ARG 12 17.454 9.772 -1.787
117 H TYR 13 HN TYR 13 21.168 3.295 1.749
118 HA TYR 13 HA TYR 13 23.829 4.326 2.146
119 HB2 TYR 13 HB2 TYR 13 23.135 1.937 3.697
120 HB3 TYR 13 HB1 TYR 13 23.636 3.531 4.247
121 HD1 TYR 13 HD1 TYR 13 21.167 1.351 4.767
122 HD2 TYR 13 HD2 TYR 13 21.603 5.353 3.278
123 HE1 TYR 13 HE1 TYR 13 18.836 1.844 5.430
124 HE2 TYR 13 HE2 TYR 13 19.264 5.854 3.933
125 HH TYR 13 HH TYR 13 17.254 4.835 4.522
126 H GLY 14 HN GLY 14 22.415 1.662 0.507
127 HA2 GLY 14 HA2 GLY 14 24.500 -0.223 0.651
128 HA3 GLY 14 HA1 GLY 14 23.311 -0.111 -0.644
129 H TYR 15 HN TYR 15 23.813 2.268 -1.795
130 HA TYR 15 HA TYR 15 26.226 1.717 -3.254
131 HB2 TYR 15 HB2 TYR 15 24.589 4.250 -3.436
132 HB3 TYR 15 HB1 TYR 15 25.561 3.484 -4.692
133 HD1 TYR 15 HD1 TYR 15 24.887 0.830 -4.980
134 HD2 TYR 15 HD2 TYR 15 22.291 4.001 -3.702
135 HE1 TYR 15 HE1 TYR 15 22.918 -0.487 -5.706
136 HE2 TYR 15 HE2 TYR 15 20.322 2.686 -4.432
137 HH TYR 15 HH TYR 15 19.873 0.812 -6.111
138 H ARG 16 HN ARG 16 25.527 3.402 -0.417
139 HA ARG 16 HA ARG 16 27.625 5.368 -0.684
140 HB2 ARG 16 HB2 ARG 16 25.350 5.239 0.818
141 HB3 ARG 16 HB1 ARG 16 26.571 4.798 2.010
142 HG2 ARG 16 HG2 ARG 16 27.139 7.124 0.213
143 HG3 ARG 16 HG1 ARG 16 25.973 7.350 1.516
144 HD2 ARG 16 HD2 ARG 16 28.787 6.291 1.873
145 HD3 ARG 16 HD1 ARG 16 28.283 7.936 2.210
146 HE ARG 16 HE ARG 16 26.825 7.029 3.966
147 HH11 ARG 16 HH11 ARG 16 26.890 5.701 5.773
148 HH12 ARG 16 HH12 ARG 16 27.994 4.369 5.847
149 HH21 ARG 16 HH21 ARG 16 29.287 4.923 2.654
150 HH22 ARG 16 HH22 ARG 16 29.372 3.938 4.075
151 H ILE 17 HN ILE 17 27.539 2.059 0.080
152 HA ILE 17 HA ILE 17 30.120 2.327 1.489
153 HB ILE 17 HB ILE 17 29.607 -0.089 2.259
154 HG12 ILE 17 HG12 ILE 17 27.016 -0.199 2.688
155 HG13 ILE 17 HG11 ILE 17 26.915 0.897 1.314
156 HG21 ILE 17 HG21 ILE 17 28.111 2.327 3.351
157 HG22 ILE 17 HG22 ILE 17 29.731 1.792 3.811
158 HG23 ILE 17 HG23 ILE 17 28.320 0.815 4.225
159 HD11 ILE 17 HD11 ILE 17 28.287 -1.801 1.296
160 HD12 ILE 17 HD12 ILE 17 28.145 -0.715 -0.078
161 HD13 ILE 17 HD13 ILE 17 26.708 -1.456 0.603
162 H SER 18 HN SER 18 31.543 0.449 1.192
163 HA SER 18 HA SER 18 31.448 -0.483 -1.613
164 HB2 SER 18 HB2 SER 18 33.939 -0.261 0.024
165 HB3 SER 18 HB1 SER 18 33.748 -0.228 -1.727
166 HG SER 18 HG SER 18 33.690 1.863 -1.523
167 H ARG 19 HN ARG 19 31.989 -2.594 -2.035
168 HA ARG 19 HA ARG 19 32.627 -4.325 0.260
169 HB2 ARG 19 HB2 ARG 19 30.740 -5.186 -1.940
170 HB3 ARG 19 HB1 ARG 19 31.042 -5.972 -0.391
171 HG2 ARG 19 HG2 ARG 19 30.191 -3.688 0.602
172 HG3 ARG 19 HG1 ARG 19 29.445 -3.505 -0.987
173 HD2 ARG 19 HD2 ARG 19 28.870 -6.134 -0.312
174 HD3 ARG 19 HD1 ARG 19 28.712 -5.283 1.217
175 HE ARG 19 HE ARG 19 27.178 -4.661 -1.247
176 HH11 ARG 19 HH11 ARG 19 25.120 -3.845 -0.831
177 HH12 ARG 19 HH12 ARG 19 24.620 -3.514 0.796
178 HH21 ARG 19 HH21 ARG 19 27.636 -4.514 2.203
179 HH22 ARG 19 HH22 ARG 19 26.048 -3.905 2.519
180 H ARG 20 HN ARG 20 34.445 -5.284 -0.100
181 HA ARG 20 HA ARG 20 35.139 -6.131 -2.840
182 HB2 ARG 20 HB2 ARG 20 37.209 -5.036 -0.950
183 HB3 ARG 20 HB1 ARG 20 37.300 -5.231 -2.702
184 HG2 ARG 20 HG2 ARG 20 35.393 -3.529 -2.833
185 HG3 ARG 20 HG1 ARG 20 35.742 -3.181 -1.137
186 HD2 ARG 20 HD2 ARG 20 37.857 -3.161 -3.285
187 HD3 ARG 20 HD1 ARG 20 36.954 -1.719 -2.834
188 HE ARG 20 HE ARG 20 39.103 -2.942 -1.362
189 HH11 ARG 20 HH11 ARG 20 39.706 -1.884 0.569
190 HH12 ARG 20 HH12 ARG 20 38.625 -0.743 1.298
191 HH21 ARG 20 HH21 ARG 20 36.142 -1.193 -1.074
192 HH22 ARG 20 HH22 ARG 20 36.596 -0.369 0.380
193 HN1 NH2 21 H1 NH2 21 37.406 -7.545 -2.461
194 HN2 NH2 21 H2 NH2 21 37.219 -8.741 -1.271
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 7.498 -4.597 -3.750
2 H2 ARG 1 HT2 ARG 1 6.495 -5.916 -4.101
3 H3 ARG 1 HT3 ARG 1 6.738 -5.421 -2.494
4 HA ARG 1 HA ARG 1 5.241 -4.048 -4.632
5 HB2 ARG 1 HB2 ARG 1 4.564 -5.161 -1.907
6 HB3 ARG 1 HB1 ARG 1 3.484 -4.097 -2.801
7 HG2 ARG 1 HG2 ARG 1 4.449 -6.159 -4.555
8 HG3 ARG 1 HG1 ARG 1 3.774 -6.889 -3.098
9 HD2 ARG 1 HD2 ARG 1 1.730 -6.535 -3.951
10 HD3 ARG 1 HD1 ARG 1 2.010 -4.811 -3.747
11 HE ARG 1 HE ARG 1 2.032 -4.693 -6.032
12 HH11 ARG 1 HH11 ARG 1 2.247 -5.479 -8.140
13 HH12 ARG 1 HH12 ARG 1 2.873 -7.072 -8.410
14 HH21 ARG 1 HH21 ARG 1 3.270 -7.787 -5.037
15 HH22 ARG 1 HH22 ARG 1 3.464 -8.373 -6.655
16 H GLN 2 HN GLN 2 3.874 -2.531 -2.623
17 HA GLN 2 HA GLN 2 5.202 -0.132 -2.731
18 HB2 GLN 2 HB2 GLN 2 3.447 -0.638 -0.381
19 HB3 GLN 2 HB1 GLN 2 3.492 0.736 -1.479
20 HG2 GLN 2 HG2 GLN 2 1.585 -0.236 -2.303
21 HG3 GLN 2 HG1 GLN 2 2.741 -1.193 -3.225
22 HE21 GLN 2 HE21 GLN 2 2.152 -1.547 0.292
23 HE22 GLN 2 HE22 GLN 2 1.516 -3.119 0.173
24 H TYR 3 HN TYR 3 5.434 -2.554 -0.148
25 HA TYR 3 HA TYR 3 6.692 -0.930 1.751
26 HB2 TYR 3 HB2 TYR 3 7.618 -3.733 1.604
27 HB3 TYR 3 HB1 TYR 3 6.995 -2.811 2.975
28 HD1 TYR 3 HD1 TYR 3 4.480 -1.973 2.625
29 HD2 TYR 3 HD2 TYR 3 6.233 -5.410 0.764
30 HE1 TYR 3 HE1 TYR 3 2.237 -2.901 2.237
31 HE2 TYR 3 HE2 TYR 3 3.996 -6.354 0.377
32 HH TYR 3 HH TYR 3 1.523 -5.871 1.752
33 H MET 4 HN MET 4 7.998 -2.434 -1.107
34 HA MET 4 HA MET 4 10.706 -2.508 -0.461
35 HB2 MET 4 HB2 MET 4 9.461 -1.853 -3.140
36 HB3 MET 4 HB1 MET 4 11.122 -2.379 -2.869
37 HG2 MET 4 HG2 MET 4 8.608 -3.952 -2.758
38 HG3 MET 4 HG1 MET 4 10.215 -4.437 -3.289
39 HE1 MET 4 HE1 MET 4 7.625 -4.169 -0.624
40 HE2 MET 4 HE2 MET 4 8.186 -5.359 0.545
41 HE3 MET 4 HE3 MET 4 7.878 -5.852 -1.115
42 H ARG 5 HN ARG 5 8.642 0.204 -0.906
43 HA ARG 5 HA ARG 5 10.458 2.128 -1.807
44 HB2 ARG 5 HB2 ARG 5 8.942 3.797 -0.814
45 HB3 ARG 5 HB1 ARG 5 8.079 2.574 -1.740
46 HG2 ARG 5 HG2 ARG 5 6.780 2.384 0.103
47 HG3 ARG 5 HG1 ARG 5 8.110 1.430 0.745
48 HD2 ARG 5 HD2 ARG 5 7.249 3.360 2.214
49 HD3 ARG 5 HD1 ARG 5 8.987 3.264 1.970
50 HE ARG 5 HE ARG 5 7.456 4.983 0.150
51 HH11 ARG 5 HH11 ARG 5 8.197 7.124 0.072
52 HH12 ARG 5 HH12 ARG 5 9.336 7.689 1.252
53 HH21 ARG 5 HH21 ARG 5 9.535 4.636 2.913
54 HH22 ARG 5 HH22 ARG 5 10.106 6.268 2.868
55 H GLN 6 HN GLN 6 9.814 1.025 1.510
56 HA GLN 6 HA GLN 6 11.598 2.971 2.669
57 HB2 GLN 6 HB2 GLN 6 11.415 1.524 4.720
58 HB3 GLN 6 HB1 GLN 6 9.869 2.083 4.084
59 HG2 GLN 6 HG2 GLN 6 10.647 -0.434 2.845
60 HG3 GLN 6 HG1 GLN 6 10.593 -0.578 4.601
61 HE21 GLN 6 HE21 GLN 6 8.626 1.316 2.267
62 HE22 GLN 6 HE22 GLN 6 7.133 0.731 2.813
63 H ILE 7 HN ILE 7 11.790 -0.313 1.597
64 HA ILE 7 HA ILE 7 14.383 -0.863 2.616
65 HB ILE 7 HB ILE 7 13.350 -2.343 0.255
66 HG12 ILE 7 HG12 ILE 7 11.871 -2.026 2.878
67 HG13 ILE 7 HG11 ILE 7 11.222 -1.991 1.246
68 HG21 ILE 7 HG21 ILE 7 15.308 -3.063 1.621
69 HG22 ILE 7 HG22 ILE 7 14.006 -4.249 1.653
70 HG23 ILE 7 HG23 ILE 7 14.257 -3.177 3.033
71 HD11 ILE 7 HD11 ILE 7 11.962 -4.340 2.940
72 HD12 ILE 7 HD12 ILE 7 12.161 -4.488 1.192
73 HD13 ILE 7 HD13 ILE 7 10.575 -4.121 1.873
74 H GLU 8 HN GLU 8 13.067 0.469 -0.303
75 HA GLU 8 HA GLU 8 15.416 0.344 -1.904
76 HB2 GLU 8 HB2 GLU 8 12.812 1.805 -1.981
77 HB3 GLU 8 HB1 GLU 8 14.112 2.326 -3.054
78 HG2 GLU 8 HG2 GLU 8 14.163 -0.415 -3.365
79 HG3 GLU 8 HG1 GLU 8 12.439 -0.091 -3.169
80 H GLN 9 HN GLN 9 13.960 2.753 0.177
81 HA GLN 9 HA GLN 9 15.684 4.898 -0.311
82 HB2 GLN 9 HB2 GLN 9 14.033 4.056 2.062
83 HB3 GLN 9 HB1 GLN 9 14.983 5.540 2.075
84 HG2 GLN 9 HG2 GLN 9 13.033 4.900 -0.149
85 HG3 GLN 9 HG1 GLN 9 12.545 5.767 1.313
86 HE21 GLN 9 HE21 GLN 9 13.473 6.386 -1.803
87 HE22 GLN 9 HE22 GLN 9 14.217 7.895 -1.576
88 H ALA 10 HN ALA 10 16.200 1.951 1.403
89 HA ALA 10 HA ALA 10 18.289 2.831 3.130
90 HB1 ALA 10 HB1 ALA 10 16.954 0.649 3.290
91 HB2 ALA 10 HB2 ALA 10 18.687 0.551 3.591
92 HB3 ALA 10 HB3 ALA 10 18.033 0.037 2.036
93 H LEU 11 HN LEU 11 18.203 1.492 -0.134
94 HA LEU 11 HA LEU 11 20.896 1.047 -0.566
95 HB2 LEU 11 HB2 LEU 11 18.735 2.023 -2.437
96 HB3 LEU 11 HB1 LEU 11 20.373 1.669 -2.987
97 HG LEU 11 HG LEU 11 18.966 -0.306 -3.310
98 HD11 LEU 11 HD11 LEU 11 20.548 -1.017 -0.873
99 HD12 LEU 11 HD12 LEU 11 21.406 -0.375 -2.276
100 HD13 LEU 11 HD13 LEU 11 20.448 -1.850 -2.421
101 HD21 LEU 11 HD21 LEU 11 17.687 -1.291 -1.584
102 HD22 LEU 11 HD22 LEU 11 17.423 0.436 -1.366
103 HD23 LEU 11 HD23 LEU 11 18.557 -0.422 -0.325
104 H ARG 12 HN ARG 12 19.318 4.052 -0.005
105 HA ARG 12 HA ARG 12 21.009 5.833 -1.363
106 HB2 ARG 12 HB2 ARG 12 19.598 6.097 1.303
107 HB3 ARG 12 HB1 ARG 12 20.355 7.436 0.436
108 HG2 ARG 12 HG2 ARG 12 18.831 7.206 -1.420
109 HG3 ARG 12 HG1 ARG 12 18.213 5.679 -0.784
110 HD2 ARG 12 HD2 ARG 12 16.582 7.255 -0.129
111 HD3 ARG 12 HD1 ARG 12 17.566 7.025 1.319
112 HE ARG 12 HE ARG 12 18.657 9.148 -0.191
113 HH11 ARG 12 HH11 ARG 12 18.283 11.267 0.504
114 HH12 ARG 12 HH12 ARG 12 16.932 11.615 1.539
115 HH21 ARG 12 HH21 ARG 12 15.831 8.330 1.648
116 HH22 ARG 12 HH22 ARG 12 15.559 9.948 2.197
117 H TYR 13 HN TYR 13 21.171 4.380 1.850
118 HA TYR 13 HA TYR 13 23.809 5.477 2.375
119 HB2 TYR 13 HB2 TYR 13 23.032 3.193 4.041
120 HB3 TYR 13 HB1 TYR 13 23.470 4.832 4.520
121 HD1 TYR 13 HD1 TYR 13 21.496 6.564 3.343
122 HD2 TYR 13 HD2 TYR 13 20.966 2.613 4.965
123 HE1 TYR 13 HE1 TYR 13 19.107 7.057 3.789
124 HE2 TYR 13 HE2 TYR 13 18.582 3.114 5.407
125 HH TYR 13 HH TYR 13 17.061 4.781 5.556
126 H GLY 14 HN GLY 14 22.466 2.888 0.693
127 HA2 GLY 14 HA2 GLY 14 24.389 0.852 0.995
128 HA3 GLY 14 HA1 GLY 14 23.338 1.076 -0.401
129 H TYR 15 HN TYR 15 24.130 3.585 -1.208
130 HA TYR 15 HA TYR 15 26.398 2.987 -2.786
131 HB2 TYR 15 HB2 TYR 15 25.387 5.769 -2.204
132 HB3 TYR 15 HB1 TYR 15 26.143 5.164 -3.678
133 HD1 TYR 15 HD1 TYR 15 24.818 2.751 -4.363
134 HD2 TYR 15 HD2 TYR 15 23.129 6.255 -2.556
135 HE1 TYR 15 HE1 TYR 15 22.597 2.148 -5.278
136 HE2 TYR 15 HE2 TYR 15 20.902 5.653 -3.469
137 HH TYR 15 HH TYR 15 20.096 2.686 -4.565
138 H ARG 16 HN ARG 16 26.129 3.928 0.438
139 HA ARG 16 HA ARG 16 28.587 5.443 0.590
140 HB2 ARG 16 HB2 ARG 16 26.360 5.255 2.210
141 HB3 ARG 16 HB1 ARG 16 27.537 4.279 3.088
142 HG2 ARG 16 HG2 ARG 16 28.031 7.101 2.090
143 HG3 ARG 16 HG1 ARG 16 27.615 6.679 3.749
144 HD2 ARG 16 HD2 ARG 16 30.064 5.706 2.249
145 HD3 ARG 16 HD1 ARG 16 30.049 6.950 3.488
146 HE ARG 16 HE ARG 16 28.881 4.664 4.606
147 HH11 ARG 16 HH11 ARG 16 30.130 3.267 5.882
148 HH12 ARG 16 HH12 ARG 16 31.856 3.269 5.738
149 HH21 ARG 16 HH21 ARG 16 31.910 5.713 3.271
150 HH22 ARG 16 HH22 ARG 16 32.865 4.659 4.254
151 H ILE 17 HN ILE 17 27.536 2.132 0.990
152 HA ILE 17 HA ILE 17 30.289 1.395 1.737
153 HB ILE 17 HB ILE 17 29.125 -0.861 2.336
154 HG12 ILE 17 HG12 ILE 17 26.798 -0.200 3.358
155 HG13 ILE 17 HG11 ILE 17 26.821 1.079 2.150
156 HG21 ILE 17 HG21 ILE 17 28.643 0.044 4.625
157 HG22 ILE 17 HG22 ILE 17 28.820 1.677 3.978
158 HG23 ILE 17 HG23 ILE 17 30.200 0.575 3.981
159 HD11 ILE 17 HD11 ILE 17 27.211 -1.861 1.516
160 HD12 ILE 17 HD12 ILE 17 27.052 -0.540 0.356
161 HD13 ILE 17 HD13 ILE 17 25.679 -1.000 1.355
162 H SER 18 HN SER 18 30.941 -0.766 0.913
163 HA SER 18 HA SER 18 30.005 -1.144 -1.862
164 HB2 SER 18 HB2 SER 18 32.766 -1.127 -0.678
165 HB3 SER 18 HB1 SER 18 32.424 -1.959 -2.189
166 HG SER 18 HG SER 18 32.407 0.776 -1.574
167 H ARG 19 HN ARG 19 30.473 -3.299 -2.715
168 HA ARG 19 HA ARG 19 30.467 -5.387 -0.627
169 HB2 ARG 19 HB2 ARG 19 28.899 -5.458 -3.215
170 HB3 ARG 19 HB1 ARG 19 28.863 -6.651 -1.923
171 HG2 ARG 19 HG2 ARG 19 27.921 -4.988 -0.390
172 HG3 ARG 19 HG1 ARG 19 28.004 -3.761 -1.659
173 HD2 ARG 19 HD2 ARG 19 25.743 -4.787 -1.506
174 HD3 ARG 19 HD1 ARG 19 26.505 -5.047 -3.068
175 HE ARG 19 HE ARG 19 26.848 -7.334 -2.503
176 HH11 ARG 19 HH11 ARG 19 26.122 -9.169 -1.396
177 HH12 ARG 19 HH12 ARG 19 25.142 -8.990 0.028
178 HH21 ARG 19 HH21 ARG 19 25.202 -5.517 -0.048
179 HH22 ARG 19 HH22 ARG 19 24.625 -6.913 0.793
180 H ARG 20 HN ARG 20 32.148 -6.644 -0.824
181 HA ARG 20 HA ARG 20 33.970 -7.749 -1.682
182 HB2 ARG 20 HB2 ARG 20 32.189 -7.858 -4.130
183 HB3 ARG 20 HB1 ARG 20 33.639 -8.838 -3.874
184 HG2 ARG 20 HG2 ARG 20 32.651 -9.914 -1.943
185 HG3 ARG 20 HG1 ARG 20 31.266 -8.823 -1.982
186 HD2 ARG 20 HD2 ARG 20 30.464 -9.768 -4.023
187 HD3 ARG 20 HD1 ARG 20 31.960 -10.665 -4.276
188 HE ARG 20 HE ARG 20 29.733 -11.482 -2.646
189 HH11 ARG 20 HH11 ARG 20 29.977 -13.395 -1.433
190 HH12 ARG 20 HH12 ARG 20 31.557 -14.060 -1.170
191 HH21 ARG 20 HH21 ARG 20 33.180 -11.587 -2.983
192 HH22 ARG 20 HH22 ARG 20 33.367 -13.042 -2.064
193 HN1 NH2 21 H1 NH2 21 33.880 -4.769 -1.983
194 HN2 NH2 21 H2 NH2 21 34.949 -4.422 -3.258
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 6.518 -2.738 -4.036
2 H2 ARG 1 HT2 ARG 1 5.547 -3.790 -4.946
3 H3 ARG 1 HT3 ARG 1 6.136 -4.273 -3.430
4 HA ARG 1 HA ARG 1 3.858 -2.645 -4.106
5 HB2 ARG 1 HB2 ARG 1 4.708 -4.501 -1.908
6 HB3 ARG 1 HB1 ARG 1 3.302 -3.462 -1.694
7 HG2 ARG 1 HG2 ARG 1 3.553 -5.046 -4.229
8 HG3 ARG 1 HG1 ARG 1 3.017 -5.861 -2.759
9 HD2 ARG 1 HD2 ARG 1 1.102 -4.498 -2.553
10 HD3 ARG 1 HD1 ARG 1 1.767 -3.258 -3.607
11 HE ARG 1 HE ARG 1 1.220 -4.611 -5.498
12 HH11 ARG 1 HH11 ARG 1 -0.226 -6.076 -6.420
13 HH12 ARG 1 HH12 ARG 1 -1.105 -7.182 -5.415
14 HH21 ARG 1 HH21 ARG 1 0.280 -6.014 -2.453
15 HH22 ARG 1 HH22 ARG 1 -0.810 -7.150 -3.172
16 H GLN 2 HN GLN 2 3.048 -1.461 -1.960
17 HA GLN 2 HA GLN 2 4.395 0.935 -1.786
18 HB2 GLN 2 HB2 GLN 2 2.854 0.091 0.605
19 HB3 GLN 2 HB1 GLN 2 2.804 1.602 -0.302
20 HG2 GLN 2 HG2 GLN 2 0.785 0.620 -0.935
21 HG3 GLN 2 HG1 GLN 2 1.855 0.088 -2.232
22 HE21 GLN 2 HE21 GLN 2 1.128 -1.017 1.104
23 HE22 GLN 2 HE22 GLN 2 0.989 -2.654 0.681
24 H TYR 3 HN TYR 3 4.790 -1.879 0.355
25 HA TYR 3 HA TYR 3 6.292 -0.572 2.331
26 HB2 TYR 3 HB2 TYR 3 7.097 -3.338 1.784
27 HB3 TYR 3 HB1 TYR 3 6.547 -2.577 3.282
28 HD1 TYR 3 HD1 TYR 3 5.643 -4.894 0.811
29 HD2 TYR 3 HD2 TYR 3 4.031 -1.674 3.138
30 HE1 TYR 3 HE1 TYR 3 3.374 -5.738 0.397
31 HE2 TYR 3 HE2 TYR 3 1.753 -2.520 2.738
32 HH TYR 3 HH TYR 3 0.862 -5.152 2.076
33 H MET 4 HN MET 4 7.240 -1.853 -0.785
34 HA MET 4 HA MET 4 10.006 -2.025 -0.442
35 HB2 MET 4 HB2 MET 4 8.565 -1.086 -2.935
36 HB3 MET 4 HB1 MET 4 10.188 -1.774 -2.853
37 HG2 MET 4 HG2 MET 4 7.539 -3.139 -2.487
38 HG3 MET 4 HG1 MET 4 8.918 -3.647 -3.456
39 HE1 MET 4 HE1 MET 4 6.944 -3.717 -0.444
40 HE2 MET 4 HE2 MET 4 7.696 -4.925 0.593
41 HE3 MET 4 HE3 MET 4 7.101 -5.397 -0.991
42 H ARG 5 HN ARG 5 7.978 0.684 -0.318
43 HA ARG 5 HA ARG 5 9.545 2.754 -1.307
44 HB2 ARG 5 HB2 ARG 5 7.403 3.399 -0.768
45 HB3 ARG 5 HB1 ARG 5 7.393 2.480 0.728
46 HG2 ARG 5 HG2 ARG 5 9.355 4.416 1.163
47 HG3 ARG 5 HG1 ARG 5 8.098 5.275 0.273
48 HD2 ARG 5 HD2 ARG 5 7.918 3.880 2.929
49 HD3 ARG 5 HD1 ARG 5 7.327 5.473 2.468
50 HE ARG 5 HE ARG 5 5.734 3.977 0.959
51 HH11 ARG 5 HH11 ARG 5 3.909 2.770 1.544
52 HH12 ARG 5 HH12 ARG 5 3.753 2.159 3.159
53 HH21 ARG 5 HH21 ARG 5 6.770 3.513 4.238
54 HH22 ARG 5 HH22 ARG 5 5.369 2.600 4.691
55 H GLN 6 HN GLN 6 9.581 1.272 1.930
56 HA GLN 6 HA GLN 6 11.573 3.108 2.906
57 HB2 GLN 6 HB2 GLN 6 11.784 1.403 4.774
58 HB3 GLN 6 HB1 GLN 6 10.169 2.072 4.550
59 HG2 GLN 6 HG2 GLN 6 10.585 -0.289 2.886
60 HG3 GLN 6 HG1 GLN 6 10.853 -0.646 4.587
61 HE21 GLN 6 HE21 GLN 6 8.540 1.551 2.894
62 HE22 GLN 6 HE22 GLN 6 7.164 0.907 3.647
63 H ILE 7 HN ILE 7 11.529 -0.082 1.529
64 HA ILE 7 HA ILE 7 14.284 -0.651 1.961
65 HB ILE 7 HB ILE 7 12.777 -2.058 -0.170
66 HG12 ILE 7 HG12 ILE 7 11.869 -1.848 2.709
67 HG13 ILE 7 HG11 ILE 7 10.900 -1.774 1.240
68 HG21 ILE 7 HG21 ILE 7 14.265 -2.973 2.313
69 HG22 ILE 7 HG22 ILE 7 14.987 -2.812 0.711
70 HG23 ILE 7 HG23 ILE 7 13.718 -4.003 0.994
71 HD11 ILE 7 HD11 ILE 7 10.614 -3.933 2.409
72 HD12 ILE 7 HD12 ILE 7 12.335 -4.256 2.234
73 HD13 ILE 7 HD13 ILE 7 11.312 -4.143 0.804
74 H GLU 8 HN GLU 8 12.392 0.692 -0.644
75 HA GLU 8 HA GLU 8 14.262 0.583 -2.728
76 HB2 GLU 8 HB2 GLU 8 11.934 2.338 -2.036
77 HB3 GLU 8 HB1 GLU 8 12.978 2.797 -3.381
78 HG2 GLU 8 HG2 GLU 8 12.567 0.107 -3.836
79 HG3 GLU 8 HG1 GLU 8 11.017 0.616 -3.187
80 H GLN 9 HN GLN 9 13.806 2.738 -0.065
81 HA GLN 9 HA GLN 9 15.796 4.641 -0.860
82 HB2 GLN 9 HB2 GLN 9 14.222 4.185 1.672
83 HB3 GLN 9 HB1 GLN 9 15.325 5.540 1.430
84 HG2 GLN 9 HG2 GLN 9 13.072 4.918 -0.485
85 HG3 GLN 9 HG1 GLN 9 12.864 5.986 0.899
86 HE21 GLN 9 HE21 GLN 9 12.555 7.024 -1.721
87 HE22 GLN 9 HE22 GLN 9 13.838 8.090 -2.047
88 H ALA 10 HN ALA 10 15.718 1.693 0.948
89 HA ALA 10 HA ALA 10 18.001 2.143 2.567
90 HB1 ALA 10 HB1 ALA 10 16.207 0.365 2.894
91 HB2 ALA 10 HB2 ALA 10 17.875 -0.144 3.147
92 HB3 ALA 10 HB3 ALA 10 17.045 -0.558 1.649
93 H LEU 11 HN LEU 11 17.588 0.506 -0.580
94 HA LEU 11 HA LEU 11 20.124 -0.518 -0.949
95 HB2 LEU 11 HB2 LEU 11 19.102 0.806 -3.352
96 HB3 LEU 11 HB1 LEU 11 19.420 -0.902 -3.069
97 HG LEU 11 HG LEU 11 16.977 0.581 -2.039
98 HD11 LEU 11 HD11 LEU 11 17.592 -0.637 -4.624
99 HD12 LEU 11 HD12 LEU 11 16.257 0.417 -4.166
100 HD13 LEU 11 HD13 LEU 11 16.150 -1.320 -3.878
101 HD21 LEU 11 HD21 LEU 11 17.905 -2.299 -1.961
102 HD22 LEU 11 HD22 LEU 11 16.203 -1.872 -1.781
103 HD23 LEU 11 HD23 LEU 11 17.383 -1.277 -0.620
104 H ARG 12 HN ARG 12 19.165 2.776 -0.816
105 HA ARG 12 HA ARG 12 21.184 4.037 -2.274
106 HB2 ARG 12 HB2 ARG 12 19.092 5.023 -1.327
107 HB3 ARG 12 HB1 ARG 12 19.806 4.896 0.277
108 HG2 ARG 12 HG2 ARG 12 21.800 6.204 -0.951
109 HG3 ARG 12 HG1 ARG 12 20.443 6.771 -1.937
110 HD2 ARG 12 HD2 ARG 12 20.530 6.829 1.084
111 HD3 ARG 12 HD1 ARG 12 20.822 8.216 0.043
112 HE ARG 12 HE ARG 12 18.259 6.775 -0.173
113 HH11 ARG 12 HH11 ARG 12 16.420 8.067 0.077
114 HH12 ARG 12 HH12 ARG 12 16.589 9.737 0.518
115 HH21 ARG 12 HH21 ARG 12 20.066 9.599 0.714
116 HH22 ARG 12 HH22 ARG 12 18.673 10.613 0.866
117 H TYR 13 HN TYR 13 20.943 3.057 1.123
118 HA TYR 13 HA TYR 13 23.508 4.006 1.895
119 HB2 TYR 13 HB2 TYR 13 22.314 1.620 3.251
120 HB3 TYR 13 HB1 TYR 13 23.115 3.021 3.955
121 HD1 TYR 13 HD1 TYR 13 20.321 1.666 4.573
122 HD2 TYR 13 HD2 TYR 13 21.535 5.156 2.378
123 HE1 TYR 13 HE1 TYR 13 18.118 2.708 5.017
124 HE2 TYR 13 HE2 TYR 13 19.327 6.196 2.816
125 HH TYR 13 HH TYR 13 16.676 4.419 4.142
126 H GLY 14 HN GLY 14 22.421 1.145 0.278
127 HA2 GLY 14 HA2 GLY 14 24.434 -0.691 0.800
128 HA3 GLY 14 HA1 GLY 14 23.583 -0.570 -0.737
129 H TYR 15 HN TYR 15 24.468 2.120 -1.309
130 HA TYR 15 HA TYR 15 27.093 1.468 -2.374
131 HB2 TYR 15 HB2 TYR 15 25.662 4.103 -2.667
132 HB3 TYR 15 HB1 TYR 15 26.840 3.364 -3.755
133 HD1 TYR 15 HD1 TYR 15 23.426 3.962 -3.246
134 HD2 TYR 15 HD2 TYR 15 26.117 0.917 -4.621
135 HE1 TYR 15 HE1 TYR 15 21.577 2.899 -4.498
136 HE2 TYR 15 HE2 TYR 15 24.268 -0.155 -5.881
137 HH TYR 15 HH TYR 15 21.406 -0.006 -5.408
138 H ARG 16 HN ARG 16 25.724 3.193 0.272
139 HA ARG 16 HA ARG 16 28.011 4.922 0.681
140 HB2 ARG 16 HB2 ARG 16 25.618 5.519 1.241
141 HB3 ARG 16 HB1 ARG 16 25.736 4.391 2.592
142 HG2 ARG 16 HG2 ARG 16 28.038 5.862 2.914
143 HG3 ARG 16 HG1 ARG 16 26.924 7.076 2.281
144 HD2 ARG 16 HD2 ARG 16 26.303 5.236 4.609
145 HD3 ARG 16 HD1 ARG 16 26.858 6.899 4.781
146 HE ARG 16 HE ARG 16 24.661 7.093 3.140
147 HH11 ARG 16 HH11 ARG 16 22.554 7.447 3.948
148 HH12 ARG 16 HH12 ARG 16 22.145 6.937 5.554
149 HH21 ARG 16 HH21 ARG 16 25.318 5.709 6.263
150 HH22 ARG 16 HH22 ARG 16 23.712 5.954 6.867
151 H ILE 17 HN ILE 17 26.714 1.956 2.193
152 HA ILE 17 HA ILE 17 29.179 1.884 3.828
153 HB ILE 17 HB ILE 17 27.822 0.194 5.229
154 HG12 ILE 17 HG12 ILE 17 25.350 0.793 5.217
155 HG13 ILE 17 HG11 ILE 17 25.632 1.641 3.702
156 HG21 ILE 17 HG21 ILE 17 28.409 2.226 6.254
157 HG22 ILE 17 HG22 ILE 17 26.648 2.226 6.371
158 HG23 ILE 17 HG23 ILE 17 27.452 3.186 5.127
159 HD11 ILE 17 HD11 ILE 17 26.035 -0.312 2.522
160 HD12 ILE 17 HD12 ILE 17 24.859 -0.889 3.698
161 HD13 ILE 17 HD13 ILE 17 26.577 -1.191 3.955
162 H SER 18 HN SER 18 29.931 -0.265 4.439
163 HA SER 18 HA SER 18 29.746 -2.162 2.176
164 HB2 SER 18 HB2 SER 18 31.993 -1.843 4.159
165 HB3 SER 18 HB1 SER 18 31.992 -2.833 2.703
166 HG SER 18 HG SER 18 31.701 0.005 2.790
167 H ARG 19 HN ARG 19 29.625 -4.379 2.679
168 HA ARG 19 HA ARG 19 29.314 -5.065 5.521
169 HB2 ARG 19 HB2 ARG 19 27.421 -6.474 3.777
170 HB3 ARG 19 HB1 ARG 19 27.168 -5.759 5.368
171 HG2 ARG 19 HG2 ARG 19 26.916 -3.554 4.393
172 HG3 ARG 19 HG1 ARG 19 27.328 -4.171 2.789
173 HD2 ARG 19 HD2 ARG 19 24.964 -5.111 4.436
174 HD3 ARG 19 HD1 ARG 19 24.867 -3.927 3.141
175 HE ARG 19 HE ARG 19 25.304 -5.648 1.564
176 HH11 ARG 19 HH11 ARG 19 25.137 -7.837 1.014
177 HH12 ARG 19 HH12 ARG 19 25.066 -9.044 2.256
178 HH21 ARG 19 HH21 ARG 19 25.268 -6.747 4.859
179 HH22 ARG 19 HH22 ARG 19 25.153 -8.424 4.446
180 H ARG 20 HN ARG 20 30.640 -6.666 5.946
181 HA ARG 20 HA ARG 20 31.983 -8.153 3.922
182 HB2 ARG 20 HB2 ARG 20 31.894 -8.237 6.915
183 HB3 ARG 20 HB1 ARG 20 32.594 -9.605 6.046
184 HG2 ARG 20 HG2 ARG 20 34.336 -8.329 5.173
185 HG3 ARG 20 HG1 ARG 20 33.426 -6.822 5.288
186 HD2 ARG 20 HD2 ARG 20 33.911 -8.136 7.880
187 HD3 ARG 20 HD1 ARG 20 35.375 -7.609 7.061
188 HE ARG 20 HE ARG 20 34.565 -5.362 7.122
189 HH11 ARG 20 HH11 ARG 20 33.376 -3.806 8.267
190 HH12 ARG 20 HH12 ARG 20 32.111 -4.302 9.343
191 HH21 ARG 20 HH21 ARG 20 32.537 -7.675 8.765
192 HH22 ARG 20 HH22 ARG 20 31.651 -6.469 9.634
193 HN1 NH2 21 H1 NH2 21 31.759 -10.460 3.442
194 HN2 NH2 21 H2 NH2 21 30.295 -11.265 3.744
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 5.833 -1.836 -3.299
2 H2 ARG 1 HT2 ARG 1 4.621 -1.449 -4.410
3 H3 ARG 1 HT3 ARG 1 4.707 -3.016 -3.778
4 HA ARG 1 HA ARG 1 3.097 -1.086 -2.861
5 HB2 ARG 1 HB2 ARG 1 4.275 -3.518 -1.546
6 HB3 ARG 1 HB1 ARG 1 3.129 -2.488 -0.691
7 HG2 ARG 1 HG2 ARG 1 2.364 -3.228 -3.461
8 HG3 ARG 1 HG1 ARG 1 2.351 -4.544 -2.281
9 HD2 ARG 1 HD2 ARG 1 1.208 -2.301 -0.998
10 HD3 ARG 1 HD1 ARG 1 0.487 -2.374 -2.597
11 HE ARG 1 HE ARG 1 0.498 -4.952 -1.346
12 HH11 ARG 1 HH11 ARG 1 -1.511 -5.735 -0.610
13 HH12 ARG 1 HH12 ARG 1 -2.841 -4.643 -0.410
14 HH21 ARG 1 HH21 ARG 1 -1.038 -1.851 -1.375
15 HH22 ARG 1 HH22 ARG 1 -2.570 -2.443 -0.836
16 H GLN 2 HN GLN 2 3.103 -0.505 -0.357
17 HA GLN 2 HA GLN 2 4.817 1.632 0.010
18 HB2 GLN 2 HB2 GLN 2 3.742 0.191 2.390
19 HB3 GLN 2 HB1 GLN 2 3.825 1.920 2.070
20 HG2 GLN 2 HG2 GLN 2 1.635 1.749 1.498
21 HG3 GLN 2 HG1 GLN 2 2.214 1.017 0.003
22 HE21 GLN 2 HE21 GLN 2 2.323 -0.408 3.270
23 HE22 GLN 2 HE22 GLN 2 1.312 -1.722 2.902
24 H TYR 3 HN TYR 3 5.149 -1.649 1.422
25 HA TYR 3 HA TYR 3 7.409 -1.042 2.965
26 HB2 TYR 3 HB2 TYR 3 7.330 -3.741 1.778
27 HB3 TYR 3 HB1 TYR 3 7.534 -3.239 3.457
28 HD1 TYR 3 HD1 TYR 3 5.385 -5.028 1.535
29 HD2 TYR 3 HD2 TYR 3 5.329 -1.604 4.124
30 HE1 TYR 3 HE1 TYR 3 2.975 -5.356 1.909
31 HE2 TYR 3 HE2 TYR 3 2.918 -1.935 4.512
32 HH TYR 3 HH TYR 3 1.073 -4.373 2.734
33 H MET 4 HN MET 4 7.180 -2.122 -0.403
34 HA MET 4 HA MET 4 9.869 -2.640 -0.910
35 HB2 MET 4 HB2 MET 4 8.053 -1.234 -2.862
36 HB3 MET 4 HB1 MET 4 9.387 -2.329 -3.219
37 HG2 MET 4 HG2 MET 4 6.641 -2.967 -2.187
38 HG3 MET 4 HG1 MET 4 7.545 -3.744 -3.484
39 HE1 MET 4 HE1 MET 4 6.307 -3.908 -0.029
40 HE2 MET 4 HE2 MET 4 6.794 -5.568 0.309
41 HE3 MET 4 HE3 MET 4 5.919 -5.199 -1.175
42 H ARG 5 HN ARG 5 8.311 0.331 -0.212
43 HA ARG 5 HA ARG 5 9.980 2.151 -1.513
44 HB2 ARG 5 HB2 ARG 5 7.823 2.733 -0.549
45 HB3 ARG 5 HB1 ARG 5 8.434 2.377 1.063
46 HG2 ARG 5 HG2 ARG 5 10.273 4.150 0.458
47 HG3 ARG 5 HG1 ARG 5 9.080 4.694 -0.728
48 HD2 ARG 5 HD2 ARG 5 8.368 4.200 2.165
49 HD3 ARG 5 HD1 ARG 5 8.948 5.763 1.600
50 HE ARG 5 HE ARG 5 6.783 4.869 -0.027
51 HH11 ARG 5 HH11 ARG 5 4.760 5.836 0.263
52 HH12 ARG 5 HH12 ARG 5 4.411 6.710 1.721
53 HH21 ARG 5 HH21 ARG 5 7.562 6.152 3.098
54 HH22 ARG 5 HH22 ARG 5 6.016 6.894 3.333
55 H GLN 6 HN GLN 6 10.274 0.628 1.704
56 HA GLN 6 HA GLN 6 12.588 2.205 2.396
57 HB2 GLN 6 HB2 GLN 6 12.866 0.487 4.240
58 HB3 GLN 6 HB1 GLN 6 11.331 1.349 4.242
59 HG2 GLN 6 HG2 GLN 6 11.263 -1.081 2.595
60 HG3 GLN 6 HG1 GLN 6 11.619 -1.408 4.285
61 HE21 GLN 6 HE21 GLN 6 9.548 1.173 2.879
62 HE22 GLN 6 HE22 GLN 6 8.141 0.683 3.683
63 H ILE 7 HN ILE 7 11.955 -0.899 1.037
64 HA ILE 7 HA ILE 7 14.625 -1.877 1.070
65 HB ILE 7 HB ILE 7 12.786 -2.887 -1.001
66 HG12 ILE 7 HG12 ILE 7 12.013 -2.785 1.924
67 HG13 ILE 7 HG11 ILE 7 11.068 -2.279 0.531
68 HG21 ILE 7 HG21 ILE 7 13.646 -4.939 -0.324
69 HG22 ILE 7 HG22 ILE 7 13.756 -4.447 1.361
70 HG23 ILE 7 HG23 ILE 7 14.959 -3.892 0.202
71 HD11 ILE 7 HD11 ILE 7 11.064 -4.676 -0.257
72 HD12 ILE 7 HD12 ILE 7 10.202 -4.415 1.257
73 HD13 ILE 7 HD13 ILE 7 11.819 -5.117 1.274
74 H GLU 8 HN GLU 8 12.645 -0.084 -1.177
75 HA GLU 8 HA GLU 8 14.440 -0.203 -3.386
76 HB2 GLU 8 HB2 GLU 8 12.054 1.445 -2.612
77 HB3 GLU 8 HB1 GLU 8 13.011 1.883 -4.027
78 HG2 GLU 8 HG2 GLU 8 12.450 -0.973 -3.982
79 HG3 GLU 8 HG1 GLU 8 10.961 -0.034 -3.912
80 H GLN 9 HN GLN 9 13.664 2.192 -0.949
81 HA GLN 9 HA GLN 9 15.567 4.121 -1.748
82 HB2 GLN 9 HB2 GLN 9 13.969 3.661 0.757
83 HB3 GLN 9 HB1 GLN 9 15.119 4.987 0.619
84 HG2 GLN 9 HG2 GLN 9 13.474 4.879 -1.753
85 HG3 GLN 9 HG1 GLN 9 12.453 4.942 -0.320
86 HE21 GLN 9 HE21 GLN 9 11.860 7.207 -0.833
87 HE22 GLN 9 HE22 GLN 9 12.962 8.470 -0.572
88 H ALA 10 HN ALA 10 15.778 1.306 0.267
89 HA ALA 10 HA ALA 10 17.939 1.945 1.888
90 HB1 ALA 10 HB1 ALA 10 17.453 -0.764 0.658
91 HB2 ALA 10 HB2 ALA 10 16.543 -0.133 2.029
92 HB3 ALA 10 HB3 ALA 10 18.276 -0.410 2.177
93 H LEU 11 HN LEU 11 17.888 0.723 -1.410
94 HA LEU 11 HA LEU 11 20.574 0.165 -1.784
95 HB2 LEU 11 HB2 LEU 11 18.441 1.176 -3.644
96 HB3 LEU 11 HB1 LEU 11 20.081 0.887 -4.209
97 HG LEU 11 HG LEU 11 19.853 -1.378 -4.128
98 HD11 LEU 11 HD11 LEU 11 19.788 -1.516 -1.679
99 HD12 LEU 11 HD12 LEU 11 18.576 -2.589 -2.373
100 HD13 LEU 11 HD13 LEU 11 18.085 -1.046 -1.684
101 HD21 LEU 11 HD21 LEU 11 17.820 -0.508 -5.316
102 HD22 LEU 11 HD22 LEU 11 16.919 -0.712 -3.816
103 HD23 LEU 11 HD23 LEU 11 17.609 -2.117 -4.625
104 H ARG 12 HN ARG 12 19.020 3.258 -1.517
105 HA ARG 12 HA ARG 12 20.925 4.887 -2.771
106 HB2 ARG 12 HB2 ARG 12 19.164 5.419 -0.365
107 HB3 ARG 12 HB1 ARG 12 20.054 6.659 -1.255
108 HG2 ARG 12 HG2 ARG 12 18.845 6.064 -3.320
109 HG3 ARG 12 HG1 ARG 12 17.968 4.807 -2.448
110 HD2 ARG 12 HD2 ARG 12 16.440 6.324 -1.824
111 HD3 ARG 12 HD1 ARG 12 17.688 7.205 -0.940
112 HE ARG 12 HE ARG 12 17.988 7.931 -3.614
113 HH11 ARG 12 HH11 ARG 12 16.994 9.787 -4.457
114 HH12 ARG 12 HH12 ARG 12 15.604 10.466 -3.680
115 HH21 ARG 12 HH21 ARG 12 15.556 8.086 -1.133
116 HH22 ARG 12 HH22 ARG 12 14.799 9.506 -1.776
117 H TYR 13 HN TYR 13 20.653 3.755 0.558
118 HA TYR 13 HA TYR 13 23.104 4.999 1.422
119 HB2 TYR 13 HB2 TYR 13 22.203 2.691 3.002
120 HB3 TYR 13 HB1 TYR 13 22.520 4.345 3.508
121 HD1 TYR 13 HD1 TYR 13 20.125 2.178 3.939
122 HD2 TYR 13 HD2 TYR 13 20.605 5.851 1.755
123 HE1 TYR 13 HE1 TYR 13 17.687 2.580 4.070
124 HE2 TYR 13 HE2 TYR 13 18.161 6.241 1.880
125 HH TYR 13 HH TYR 13 16.208 5.474 2.600
126 H GLY 14 HN GLY 14 22.381 2.286 -0.425
127 HA2 GLY 14 HA2 GLY 14 24.217 0.351 0.324
128 HA3 GLY 14 HA1 GLY 14 23.669 0.624 -1.323
129 H TYR 15 HN TYR 15 24.699 3.353 -1.341
130 HA TYR 15 HA TYR 15 27.380 2.711 -2.193
131 HB2 TYR 15 HB2 TYR 15 25.917 5.354 -2.173
132 HB3 TYR 15 HB1 TYR 15 27.420 5.000 -3.034
133 HD1 TYR 15 HD1 TYR 15 23.793 4.148 -2.806
134 HD2 TYR 15 HD2 TYR 15 27.421 3.735 -5.058
135 HE1 TYR 15 HE1 TYR 15 22.510 3.214 -4.702
136 HE2 TYR 15 HE2 TYR 15 26.144 2.802 -6.960
137 HH TYR 15 HH TYR 15 23.936 1.583 -7.250
138 H ARG 16 HN ARG 16 26.005 3.739 0.725
139 HA ARG 16 HA ARG 16 28.259 5.321 1.609
140 HB2 ARG 16 HB2 ARG 16 26.396 6.027 2.750
141 HB3 ARG 16 HB1 ARG 16 25.663 4.429 2.773
142 HG2 ARG 16 HG2 ARG 16 26.285 4.946 5.040
143 HG3 ARG 16 HG1 ARG 16 27.441 3.746 4.461
144 HD2 ARG 16 HD2 ARG 16 28.718 5.450 5.565
145 HD3 ARG 16 HD1 ARG 16 28.968 5.682 3.839
146 HE ARG 16 HE ARG 16 26.791 7.281 4.580
147 HH11 ARG 16 HH11 ARG 16 27.112 9.488 4.952
148 HH12 ARG 16 HH12 ARG 16 28.689 10.075 5.371
149 HH21 ARG 16 HH21 ARG 16 30.168 6.939 5.258
150 HH22 ARG 16 HH22 ARG 16 30.423 8.624 5.547
151 H ILE 17 HN ILE 17 27.307 1.989 1.577
152 HA ILE 17 HA ILE 17 29.720 1.330 3.154
153 HB ILE 17 HB ILE 17 28.451 -0.924 3.512
154 HG12 ILE 17 HG12 ILE 17 25.940 -0.251 3.886
155 HG13 ILE 17 HG11 ILE 17 26.272 0.993 2.684
156 HG21 ILE 17 HG21 ILE 17 28.898 1.303 5.051
157 HG22 ILE 17 HG22 ILE 17 28.167 -0.184 5.646
158 HG23 ILE 17 HG23 ILE 17 27.146 1.161 5.149
159 HD11 ILE 17 HD11 ILE 17 25.401 -1.360 1.907
160 HD12 ILE 17 HD12 ILE 17 27.077 -1.848 2.142
161 HD13 ILE 17 HD13 ILE 17 26.686 -0.573 0.994
162 H SER 18 HN SER 18 30.625 -0.829 2.608
163 HA SER 18 HA SER 18 30.728 -1.082 -0.312
164 HB2 SER 18 HB2 SER 18 32.480 -2.502 1.661
165 HB3 SER 18 HB1 SER 18 32.823 -2.062 -0.013
166 HG SER 18 HG SER 18 33.706 -0.337 0.858
167 H ARG 19 HN ARG 19 30.315 -3.000 -1.375
168 HA ARG 19 HA ARG 19 29.382 -5.241 0.291
169 HB2 ARG 19 HB2 ARG 19 28.041 -4.326 -2.259
170 HB3 ARG 19 HB1 ARG 19 27.502 -5.598 -1.160
171 HG2 ARG 19 HG2 ARG 19 27.553 -3.652 0.623
172 HG3 ARG 19 HG1 ARG 19 27.407 -2.627 -0.813
173 HD2 ARG 19 HD2 ARG 19 25.184 -3.253 0.061
174 HD3 ARG 19 HD1 ARG 19 25.463 -3.903 -1.555
175 HE ARG 19 HE ARG 19 26.127 -5.662 0.691
176 HH11 ARG 19 HH11 ARG 19 25.013 -7.605 0.723
177 HH12 ARG 19 HH12 ARG 19 23.670 -7.863 -0.338
178 HH21 ARG 19 HH21 ARG 19 23.871 -4.690 -1.753
179 HH22 ARG 19 HH22 ARG 19 23.023 -6.192 -1.759
180 H ARG 20 HN ARG 20 30.548 -6.936 -0.108
181 HA ARG 20 HA ARG 20 31.895 -7.251 -2.699
182 HB2 ARG 20 HB2 ARG 20 32.277 -8.677 -0.053
183 HB3 ARG 20 HB1 ARG 20 33.243 -8.932 -1.507
184 HG2 ARG 20 HG2 ARG 20 34.545 -7.375 -0.411
185 HG3 ARG 20 HG1 ARG 20 33.534 -6.317 -1.390
186 HD2 ARG 20 HD2 ARG 20 32.108 -5.813 0.456
187 HD3 ARG 20 HD1 ARG 20 32.764 -7.137 1.409
188 HE ARG 20 HE ARG 20 34.318 -5.623 2.184
189 HH11 ARG 20 HH11 ARG 20 35.687 -3.809 2.056
190 HH12 ARG 20 HH12 ARG 20 35.730 -2.856 0.609
191 HH21 ARG 20 HH21 ARG 20 33.324 -4.749 -1.016
192 HH22 ARG 20 HH22 ARG 20 34.405 -3.402 -1.139
193 HN1 NH2 21 H1 NH2 21 28.969 -7.823 -2.311
194 HN2 NH2 21 H2 NH2 21 28.787 -9.465 -2.694
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 3.702 -1.299 -4.240
2 H2 ARG 1 HT2 ARG 1 5.099 -0.530 -3.668
3 H3 ARG 1 HT3 ARG 1 4.057 0.276 -4.731
4 HA ARG 1 HA ARG 1 2.694 0.932 -3.137
5 HB2 ARG 1 HB2 ARG 1 2.991 -1.909 -2.257
6 HB3 ARG 1 HB1 ARG 1 2.344 -0.744 -1.104
7 HG2 ARG 1 HG2 ARG 1 1.236 -0.743 -3.889
8 HG3 ARG 1 HG1 ARG 1 0.729 -2.023 -2.788
9 HD2 ARG 1 HD2 ARG 1 -0.278 -0.537 -1.312
10 HD3 ARG 1 HD1 ARG 1 0.691 0.827 -1.862
11 HE ARG 1 HE ARG 1 -0.772 0.221 -4.064
12 HH11 ARG 1 HH11 ARG 1 -2.857 1.000 -4.473
13 HH12 ARG 1 HH12 ARG 1 -3.888 1.455 -3.158
14 HH21 ARG 1 HH21 ARG 1 -1.501 0.785 -0.725
15 HH22 ARG 1 HH22 ARG 1 -3.117 1.326 -1.015
16 H GLN 2 HN GLN 2 2.809 1.120 -0.520
17 HA GLN 2 HA GLN 2 4.989 2.707 0.054
18 HB2 GLN 2 HB2 GLN 2 3.846 1.250 2.361
19 HB3 GLN 2 HB1 GLN 2 4.083 2.977 2.121
20 HG2 GLN 2 HG2 GLN 2 1.778 2.876 1.985
21 HG3 GLN 2 HG1 GLN 2 2.179 2.636 0.288
22 HE21 GLN 2 HE21 GLN 2 2.425 0.315 3.016
23 HE22 GLN 2 HE22 GLN 2 1.363 -0.822 2.342
24 H TYR 3 HN TYR 3 4.672 -0.773 0.527
25 HA TYR 3 HA TYR 3 6.830 -1.107 2.263
26 HB2 TYR 3 HB2 TYR 3 6.463 -3.220 0.251
27 HB3 TYR 3 HB1 TYR 3 6.589 -3.332 2.003
28 HD1 TYR 3 HD1 TYR 3 4.636 -2.203 3.340
29 HD2 TYR 3 HD2 TYR 3 4.341 -3.490 -0.732
30 HE1 TYR 3 HE1 TYR 3 2.183 -2.240 3.521
31 HE2 TYR 3 HE2 TYR 3 1.902 -3.522 -0.565
32 HH TYR 3 HH TYR 3 0.209 -3.831 1.547
33 H MET 4 HN MET 4 6.828 -1.190 -1.304
34 HA MET 4 HA MET 4 9.438 -1.988 -1.721
35 HB2 MET 4 HB2 MET 4 7.875 0.067 -3.289
36 HB3 MET 4 HB1 MET 4 9.326 -0.759 -3.849
37 HG2 MET 4 HG2 MET 4 6.557 -1.729 -3.742
38 HG3 MET 4 HG1 MET 4 7.911 -2.293 -4.712
39 HE1 MET 4 HE1 MET 4 5.975 -4.330 -1.335
40 HE2 MET 4 HE2 MET 4 5.439 -3.794 -2.924
41 HE3 MET 4 HE3 MET 4 5.758 -2.609 -1.664
42 H ARG 5 HN ARG 5 8.296 0.981 -0.409
43 HA ARG 5 HA ARG 5 10.508 2.615 -1.081
44 HB2 ARG 5 HB2 ARG 5 9.196 4.184 -0.202
45 HB3 ARG 5 HB1 ARG 5 8.080 2.938 0.340
46 HG2 ARG 5 HG2 ARG 5 9.453 2.644 2.407
47 HG3 ARG 5 HG1 ARG 5 10.486 3.971 1.880
48 HD2 ARG 5 HD2 ARG 5 7.508 4.182 2.343
49 HD3 ARG 5 HD1 ARG 5 8.734 4.675 3.504
50 HE ARG 5 HE ARG 5 7.948 6.101 1.106
51 HH11 ARG 5 HH11 ARG 5 8.990 8.116 0.802
52 HH12 ARG 5 HH12 ARG 5 10.416 8.495 1.709
53 HH21 ARG 5 HH21 ARG 5 10.444 5.483 3.432
54 HH22 ARG 5 HH22 ARG 5 11.233 7.006 3.209
55 H GLN 6 HN GLN 6 9.892 0.494 1.736
56 HA GLN 6 HA GLN 6 12.236 1.463 3.109
57 HB2 GLN 6 HB2 GLN 6 11.925 -0.599 4.551
58 HB3 GLN 6 HB1 GLN 6 10.552 0.507 4.505
59 HG2 GLN 6 HG2 GLN 6 10.462 -1.503 2.372
60 HG3 GLN 6 HG1 GLN 6 10.447 -2.219 3.980
61 HE21 GLN 6 HE21 GLN 6 9.057 0.899 2.835
62 HE22 GLN 6 HE22 GLN 6 7.470 0.534 3.302
63 H ILE 7 HN ILE 7 11.454 -1.148 0.986
64 HA ILE 7 HA ILE 7 13.895 -2.589 1.227
65 HB ILE 7 HB ILE 7 12.376 -2.777 -1.297
66 HG12 ILE 7 HG12 ILE 7 11.054 -3.115 1.400
67 HG13 ILE 7 HG11 ILE 7 10.468 -2.242 -0.014
68 HG21 ILE 7 HG21 ILE 7 12.653 -5.105 -0.903
69 HG22 ILE 7 HG22 ILE 7 12.826 -4.874 0.833
70 HG23 ILE 7 HG23 ILE 7 14.125 -4.385 -0.256
71 HD11 ILE 7 HD11 ILE 7 9.261 -4.351 0.168
72 HD12 ILE 7 HD12 ILE 7 10.782 -5.236 0.248
73 HD13 ILE 7 HD13 ILE 7 10.319 -4.414 -1.239
74 H GLU 8 HN GLU 8 12.639 -0.096 -0.899
75 HA GLU 8 HA GLU 8 14.806 -0.037 -2.726
76 HB2 GLU 8 HB2 GLU 8 12.597 1.834 -1.941
77 HB3 GLU 8 HB1 GLU 8 13.873 2.386 -3.021
78 HG2 GLU 8 HG2 GLU 8 12.773 -0.258 -3.715
79 HG3 GLU 8 HG1 GLU 8 11.608 1.059 -3.826
80 H GLN 9 HN GLN 9 13.969 1.774 0.145
81 HA GLN 9 HA GLN 9 16.112 3.564 0.242
82 HB2 GLN 9 HB2 GLN 9 14.334 2.326 2.331
83 HB3 GLN 9 HB1 GLN 9 15.626 3.438 2.786
84 HG2 GLN 9 HG2 GLN 9 13.777 4.236 0.579
85 HG3 GLN 9 HG1 GLN 9 13.180 4.318 2.231
86 HE21 GLN 9 HE21 GLN 9 13.293 6.760 1.194
87 HE22 GLN 9 HE22 GLN 9 14.683 7.613 1.660
88 H ALA 10 HN ALA 10 15.945 0.170 1.074
89 HA ALA 10 HA ALA 10 18.312 0.137 2.655
90 HB1 ALA 10 HB1 ALA 10 17.120 -2.173 1.119
91 HB2 ALA 10 HB2 ALA 10 16.572 -1.646 2.709
92 HB3 ALA 10 HB3 ALA 10 18.210 -2.258 2.502
93 H LEU 11 HN LEU 11 17.703 -0.756 -0.740
94 HA LEU 11 HA LEU 11 20.358 -1.373 -1.413
95 HB2 LEU 11 HB2 LEU 11 18.787 -0.041 -3.520
96 HB3 LEU 11 HB1 LEU 11 19.527 -1.640 -3.509
97 HG LEU 11 HG LEU 11 16.914 -0.874 -2.160
98 HD11 LEU 11 HD11 LEU 11 17.636 -2.353 -4.668
99 HD12 LEU 11 HD12 LEU 11 16.417 -1.106 -4.414
100 HD13 LEU 11 HD13 LEU 11 16.143 -2.733 -3.806
101 HD21 LEU 11 HD21 LEU 11 16.964 -3.556 -2.058
102 HD22 LEU 11 HD22 LEU 11 17.615 -2.567 -0.756
103 HD23 LEU 11 HD23 LEU 11 18.697 -3.258 -1.964
104 H ARG 12 HN ARG 12 18.846 1.579 -0.669
105 HA ARG 12 HA ARG 12 20.299 3.451 -2.160
106 HB2 ARG 12 HB2 ARG 12 18.301 3.824 -0.614
107 HB3 ARG 12 HB1 ARG 12 19.463 3.816 0.711
108 HG2 ARG 12 HG2 ARG 12 20.332 5.537 -1.478
109 HG3 ARG 12 HG1 ARG 12 18.761 6.023 -0.843
110 HD2 ARG 12 HD2 ARG 12 19.726 5.928 1.468
111 HD3 ARG 12 HD1 ARG 12 21.305 5.614 0.756
112 HE ARG 12 HE ARG 12 21.430 7.865 0.167
113 HH11 ARG 12 HH11 ARG 12 20.609 9.991 0.041
114 HH12 ARG 12 HH12 ARG 12 18.934 10.289 0.367
115 HH21 ARG 12 HH21 ARG 12 18.192 6.968 1.040
116 HH22 ARG 12 HH22 ARG 12 17.566 8.573 0.940
117 H TYR 13 HN TYR 13 20.967 1.988 1.000
118 HA TYR 13 HA TYR 13 23.292 3.430 1.605
119 HB2 TYR 13 HB2 TYR 13 23.034 0.543 2.369
120 HB3 TYR 13 HB1 TYR 13 23.675 1.888 3.312
121 HD1 TYR 13 HD1 TYR 13 21.328 -0.281 3.799
122 HD2 TYR 13 HD2 TYR 13 21.465 3.899 2.821
123 HE1 TYR 13 HE1 TYR 13 19.099 0.030 4.818
124 HE2 TYR 13 HE2 TYR 13 19.227 4.206 3.839
125 HH TYR 13 HH TYR 13 17.145 1.822 4.450
126 H GLY 14 HN GLY 14 22.731 0.771 -0.543
127 HA2 GLY 14 HA2 GLY 14 25.265 -0.311 -0.867
128 HA3 GLY 14 HA1 GLY 14 24.059 -0.208 -2.139
129 H TYR 15 HN TYR 15 23.985 2.723 -1.967
130 HA TYR 15 HA TYR 15 26.173 3.219 -3.794
131 HB2 TYR 15 HB2 TYR 15 24.100 5.166 -2.788
132 HB3 TYR 15 HB1 TYR 15 25.087 5.302 -4.246
133 HD1 TYR 15 HD1 TYR 15 24.976 2.968 -5.716
134 HD2 TYR 15 HD2 TYR 15 21.894 4.549 -3.176
135 HE1 TYR 15 HE1 TYR 15 23.269 1.744 -7.025
136 HE2 TYR 15 HE2 TYR 15 20.185 3.320 -4.483
137 HH TYR 15 HH TYR 15 20.032 1.393 -5.970
138 H ARG 16 HN ARG 16 25.732 3.593 -0.411
139 HA ARG 16 HA ARG 16 27.876 5.647 -0.372
140 HB2 ARG 16 HB2 ARG 16 27.065 6.344 1.815
141 HB3 ARG 16 HB1 ARG 16 25.755 6.408 0.636
142 HG2 ARG 16 HG2 ARG 16 24.565 4.803 1.702
143 HG3 ARG 16 HG1 ARG 16 25.990 3.802 1.979
144 HD2 ARG 16 HD2 ARG 16 25.119 4.538 4.123
145 HD3 ARG 16 HD1 ARG 16 26.661 5.333 3.829
146 HE ARG 16 HE ARG 16 25.208 7.278 3.000
147 HH11 ARG 16 HH11 ARG 16 23.756 8.700 3.980
148 HH12 ARG 16 HH12 ARG 16 22.874 8.201 5.388
149 HH21 ARG 16 HH21 ARG 16 24.297 5.028 5.483
150 HH22 ARG 16 HH22 ARG 16 23.184 6.112 6.240
151 H ILE 17 HN ILE 17 27.618 2.397 -0.030
152 HA ILE 17 HA ILE 17 29.534 2.350 2.217
153 HB ILE 17 HB ILE 17 29.077 -0.154 2.209
154 HG12 ILE 17 HG12 ILE 17 26.695 -0.629 1.335
155 HG13 ILE 17 HG11 ILE 17 26.877 0.843 0.390
156 HG21 ILE 17 HG21 ILE 17 28.127 1.605 3.815
157 HG22 ILE 17 HG22 ILE 17 27.201 0.112 3.670
158 HG23 ILE 17 HG23 ILE 17 26.662 1.565 2.835
159 HD11 ILE 17 HD11 ILE 17 28.306 -0.127 -1.074
160 HD12 ILE 17 HD12 ILE 17 27.676 -1.646 -0.434
161 HD13 ILE 17 HD13 ILE 17 29.177 -0.977 0.201
162 H SER 18 HN SER 18 31.235 0.733 2.088
163 HA SER 18 HA SER 18 32.343 0.591 -0.648
164 HB2 SER 18 HB2 SER 18 33.771 0.377 2.002
165 HB3 SER 18 HB1 SER 18 34.508 0.479 0.405
166 HG SER 18 HG SER 18 32.773 2.497 0.710
167 H ARG 19 HN ARG 19 32.703 -1.394 -1.509
168 HA ARG 19 HA ARG 19 32.360 -3.699 0.310
169 HB2 ARG 19 HB2 ARG 19 31.936 -3.660 -2.690
170 HB3 ARG 19 HB1 ARG 19 31.500 -4.943 -1.554
171 HG2 ARG 19 HG2 ARG 19 29.824 -3.562 -0.511
172 HG3 ARG 19 HG1 ARG 19 30.383 -2.130 -1.378
173 HD2 ARG 19 HD2 ARG 19 29.837 -3.827 -3.461
174 HD3 ARG 19 HD1 ARG 19 28.612 -4.313 -2.289
175 HE ARG 19 HE ARG 19 28.969 -1.465 -3.052
176 HH11 ARG 19 HH11 ARG 19 26.992 -0.396 -3.457
177 HH12 ARG 19 HH12 ARG 19 25.509 -1.295 -3.438
178 HH21 ARG 19 HH21 ARG 19 27.009 -4.320 -2.689
179 HH22 ARG 19 HH22 ARG 19 25.514 -3.500 -2.988
180 H ARG 20 HN ARG 20 34.133 -4.699 0.733
181 HA ARG 20 HA ARG 20 36.594 -4.256 -0.617
182 HB2 ARG 20 HB2 ARG 20 37.366 -6.181 0.857
183 HB3 ARG 20 HB1 ARG 20 36.702 -4.786 1.702
184 HG2 ARG 20 HG2 ARG 20 34.980 -5.983 2.534
185 HG3 ARG 20 HG1 ARG 20 34.645 -6.738 0.972
186 HD2 ARG 20 HD2 ARG 20 36.987 -7.534 2.713
187 HD3 ARG 20 HD1 ARG 20 35.409 -8.314 2.807
188 HE ARG 20 HE ARG 20 36.626 -8.182 0.149
189 HH11 ARG 20 HH11 ARG 20 37.034 -10.210 -0.793
190 HH12 ARG 20 HH12 ARG 20 36.893 -11.654 0.155
191 HH21 ARG 20 HH21 ARG 20 36.021 -9.982 3.070
192 HH22 ARG 20 HH22 ARG 20 36.309 -11.527 2.344
193 HN1 NH2 21 H1 NH2 21 35.506 -4.934 -2.836
194 HN2 NH2 21 H2 NH2 21 35.694 -6.569 -3.259
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 6.940 -2.879 -5.122
2 H2 ARG 1 HT2 ARG 1 6.747 -1.282 -4.594
3 H3 ARG 1 HT3 ARG 1 5.833 -1.853 -5.897
4 HA ARG 1 HA ARG 1 4.235 -2.413 -4.516
5 HB2 ARG 1 HB2 ARG 1 6.420 -4.209 -3.453
6 HB3 ARG 1 HB1 ARG 1 4.779 -4.248 -2.807
7 HG2 ARG 1 HG2 ARG 1 4.785 -4.274 -5.727
8 HG3 ARG 1 HG1 ARG 1 5.684 -5.635 -5.058
9 HD2 ARG 1 HD2 ARG 1 3.753 -6.214 -3.631
10 HD3 ARG 1 HD1 ARG 1 2.856 -4.851 -4.287
11 HE ARG 1 HE ARG 1 2.576 -6.034 -6.304
12 HH11 ARG 1 HH11 ARG 1 2.479 -8.008 -7.396
13 HH12 ARG 1 HH12 ARG 1 3.360 -9.380 -6.810
14 HH21 ARG 1 HH21 ARG 1 4.703 -7.674 -4.091
15 HH22 ARG 1 HH22 ARG 1 4.628 -9.190 -4.925
16 H GLN 2 HN GLN 2 3.948 -2.852 -1.868
17 HA GLN 2 HA GLN 2 4.187 -0.281 -0.752
18 HB2 GLN 2 HB2 GLN 2 3.798 -2.667 0.991
19 HB3 GLN 2 HB1 GLN 2 2.989 -1.106 1.035
20 HG2 GLN 2 HG2 GLN 2 1.306 -2.390 0.087
21 HG3 GLN 2 HG1 GLN 2 2.143 -1.867 -1.373
22 HE21 GLN 2 HE21 GLN 2 2.783 -4.417 1.068
23 HE22 GLN 2 HE22 GLN 2 2.962 -5.664 -0.069
24 H TYR 3 HN TYR 3 5.933 -3.282 0.097
25 HA TYR 3 HA TYR 3 7.491 -2.091 2.107
26 HB2 TYR 3 HB2 TYR 3 8.877 -4.239 0.702
27 HB3 TYR 3 HB1 TYR 3 8.425 -4.097 2.398
28 HD1 TYR 3 HD1 TYR 3 7.075 -4.840 -0.996
29 HD2 TYR 3 HD2 TYR 3 6.511 -5.160 3.244
30 HE1 TYR 3 HE1 TYR 3 5.154 -6.314 -1.372
31 HE2 TYR 3 HE2 TYR 3 4.586 -6.639 2.874
32 HH TYR 3 HH TYR 3 3.329 -7.696 1.373
33 H MET 4 HN MET 4 8.056 -2.442 -1.352
34 HA MET 4 HA MET 4 10.748 -1.842 -1.519
35 HB2 MET 4 HB2 MET 4 8.661 -0.777 -3.422
36 HB3 MET 4 HB1 MET 4 10.348 -1.133 -3.773
37 HG2 MET 4 HG2 MET 4 8.174 -3.120 -3.077
38 HG3 MET 4 HG1 MET 4 9.029 -2.970 -4.607
39 HE1 MET 4 HE1 MET 4 8.841 -4.295 -1.150
40 HE2 MET 4 HE2 MET 4 9.973 -5.638 -1.226
41 HE3 MET 4 HE3 MET 4 8.649 -5.539 -2.385
42 H ARG 5 HN ARG 5 8.290 0.187 -0.323
43 HA ARG 5 HA ARG 5 9.340 2.703 -1.133
44 HB2 ARG 5 HB2 ARG 5 7.002 2.336 -0.401
45 HB3 ARG 5 HB1 ARG 5 7.581 2.024 1.236
46 HG2 ARG 5 HG2 ARG 5 8.699 4.490 0.204
47 HG3 ARG 5 HG1 ARG 5 6.940 4.522 0.117
48 HD2 ARG 5 HD2 ARG 5 8.308 3.552 2.614
49 HD3 ARG 5 HD1 ARG 5 8.128 5.277 2.312
50 HE ARG 5 HE ARG 5 5.689 3.699 2.043
51 HH11 ARG 5 HH11 ARG 5 4.028 4.279 3.500
52 HH12 ARG 5 HH12 ARG 5 4.382 5.330 4.833
53 HH21 ARG 5 HH21 ARG 5 7.750 5.652 4.026
54 HH22 ARG 5 HH22 ARG 5 6.502 6.103 5.137
55 H GLN 6 HN GLN 6 9.723 0.741 1.828
56 HA GLN 6 HA GLN 6 11.392 2.711 3.114
57 HB2 GLN 6 HB2 GLN 6 11.864 0.838 4.735
58 HB3 GLN 6 HB1 GLN 6 10.158 1.246 4.549
59 HG2 GLN 6 HG2 GLN 6 11.049 -0.768 2.615
60 HG3 GLN 6 HG1 GLN 6 11.243 -1.298 4.283
61 HE21 GLN 6 HE21 GLN 6 8.725 0.882 2.902
62 HE22 GLN 6 HE22 GLN 6 7.418 -0.096 3.354
63 H ILE 7 HN ILE 7 11.842 -0.105 1.167
64 HA ILE 7 HA ILE 7 14.603 -0.466 1.668
65 HB ILE 7 HB ILE 7 13.481 -1.325 -0.933
66 HG12 ILE 7 HG12 ILE 7 12.272 -2.058 1.733
67 HG13 ILE 7 HG11 ILE 7 11.467 -1.625 0.232
68 HG21 ILE 7 HG21 ILE 7 14.744 -3.248 -0.481
69 HG22 ILE 7 HG22 ILE 7 14.587 -3.057 1.263
70 HG23 ILE 7 HG23 ILE 7 15.674 -2.007 0.357
71 HD11 ILE 7 HD11 ILE 7 13.023 -4.173 0.737
72 HD12 ILE 7 HD12 ILE 7 12.289 -3.731 -0.801
73 HD13 ILE 7 HD13 ILE 7 11.271 -4.036 0.606
74 H GLU 8 HN GLU 8 12.741 1.454 -0.542
75 HA GLU 8 HA GLU 8 14.600 2.179 -2.471
76 HB2 GLU 8 HB2 GLU 8 12.226 3.455 -1.193
77 HB3 GLU 8 HB1 GLU 8 13.277 4.479 -2.165
78 HG2 GLU 8 HG2 GLU 8 12.810 2.010 -3.553
79 HG3 GLU 8 HG1 GLU 8 11.266 2.712 -3.070
80 H GLN 9 HN GLN 9 14.038 3.253 0.757
81 HA GLN 9 HA GLN 9 15.919 5.383 0.761
82 HB2 GLN 9 HB2 GLN 9 14.491 3.905 2.963
83 HB3 GLN 9 HB1 GLN 9 15.382 5.410 3.170
84 HG2 GLN 9 HG2 GLN 9 12.912 4.955 1.489
85 HG3 GLN 9 HG1 GLN 9 13.055 5.975 2.918
86 HE21 GLN 9 HE21 GLN 9 12.594 6.420 -0.214
87 HE22 GLN 9 HE22 GLN 9 13.585 7.769 -0.515
88 H ALA 10 HN ALA 10 15.972 1.991 1.597
89 HA ALA 10 HA ALA 10 18.378 2.062 3.110
90 HB1 ALA 10 HB1 ALA 10 16.762 0.247 3.350
91 HB2 ALA 10 HB2 ALA 10 18.349 -0.381 2.898
92 HB3 ALA 10 HB3 ALA 10 17.069 -0.261 1.690
93 H LEU 11 HN LEU 11 17.738 1.083 -0.275
94 HA LEU 11 HA LEU 11 20.262 0.236 -0.964
95 HB2 LEU 11 HB2 LEU 11 18.865 1.913 -2.978
96 HB3 LEU 11 HB1 LEU 11 19.535 0.289 -3.134
97 HG LEU 11 HG LEU 11 16.928 1.100 -1.832
98 HD11 LEU 11 HD11 LEU 11 17.590 -0.772 -4.104
99 HD12 LEU 11 HD12 LEU 11 16.883 0.835 -4.253
100 HD13 LEU 11 HD13 LEU 11 15.976 -0.456 -3.471
101 HD21 LEU 11 HD21 LEU 11 17.448 -0.588 -0.358
102 HD22 LEU 11 HD22 LEU 11 18.626 -1.314 -1.448
103 HD23 LEU 11 HD23 LEU 11 16.903 -1.604 -1.688
104 H ARG 12 HN ARG 12 19.281 3.479 -0.265
105 HA ARG 12 HA ARG 12 21.225 4.928 -1.680
106 HB2 ARG 12 HB2 ARG 12 19.833 5.409 0.958
107 HB3 ARG 12 HB1 ARG 12 20.984 6.561 0.277
108 HG2 ARG 12 HG2 ARG 12 19.614 7.045 -1.563
109 HG3 ARG 12 HG1 ARG 12 18.712 5.534 -1.409
110 HD2 ARG 12 HD2 ARG 12 17.455 6.319 0.400
111 HD3 ARG 12 HD1 ARG 12 18.627 7.556 0.815
112 HE ARG 12 HE ARG 12 17.572 8.985 -0.680
113 HH11 ARG 12 HH11 ARG 12 15.963 9.526 -2.177
114 HH12 ARG 12 HH12 ARG 12 15.053 8.277 -2.964
115 HH21 ARG 12 HH21 ARG 12 16.701 5.681 -1.366
116 HH22 ARG 12 HH22 ARG 12 15.472 6.114 -2.512
117 H TYR 13 HN TYR 13 21.260 3.428 1.534
118 HA TYR 13 HA TYR 13 23.944 4.161 2.149
119 HB2 TYR 13 HB2 TYR 13 22.874 1.644 3.317
120 HB3 TYR 13 HB1 TYR 13 23.664 3.004 4.097
121 HD1 TYR 13 HD1 TYR 13 21.085 1.469 4.923
122 HD2 TYR 13 HD2 TYR 13 21.749 5.155 2.816
123 HE1 TYR 13 HE1 TYR 13 18.881 2.300 5.682
124 HE2 TYR 13 HE2 TYR 13 19.543 5.983 3.567
125 HH TYR 13 HH TYR 13 17.700 4.328 6.002
126 H GLY 14 HN GLY 14 22.397 1.495 0.527
127 HA2 GLY 14 HA2 GLY 14 24.471 -0.348 0.325
128 HA3 GLY 14 HA1 GLY 14 23.192 -0.124 -0.868
129 H TYR 15 HN TYR 15 23.655 2.447 -1.686
130 HA TYR 15 HA TYR 15 25.914 2.051 -3.442
131 HB2 TYR 15 HB2 TYR 15 24.362 4.611 -3.194
132 HB3 TYR 15 HB1 TYR 15 25.172 3.942 -4.608
133 HD1 TYR 15 HD1 TYR 15 24.211 1.111 -4.535
134 HD2 TYR 15 HD2 TYR 15 22.144 4.806 -3.833
135 HE1 TYR 15 HE1 TYR 15 22.089 0.056 -5.254
136 HE2 TYR 15 HE2 TYR 15 20.024 3.759 -4.546
137 HH TYR 15 HH TYR 15 19.005 1.685 -4.888
138 H ARG 16 HN ARG 16 25.469 3.345 -0.356
139 HA ARG 16 HA ARG 16 27.429 5.444 -0.540
140 HB2 ARG 16 HB2 ARG 16 25.376 5.175 1.078
141 HB3 ARG 16 HB1 ARG 16 26.524 4.270 2.059
142 HG2 ARG 16 HG2 ARG 16 27.864 6.623 1.178
143 HG3 ARG 16 HG1 ARG 16 26.280 7.120 1.761
144 HD2 ARG 16 HD2 ARG 16 28.305 5.460 3.284
145 HD3 ARG 16 HD1 ARG 16 27.879 7.135 3.604
146 HE ARG 16 HE ARG 16 25.691 6.391 4.324
147 HH11 ARG 16 HH11 ARG 16 24.650 4.823 5.609
148 HH12 ARG 16 HH12 ARG 16 25.324 3.231 5.729
149 HH21 ARG 16 HH21 ARG 16 28.033 3.887 3.724
150 HH22 ARG 16 HH22 ARG 16 27.200 2.710 4.678
151 H ILE 17 HN ILE 17 27.392 2.102 0.690
152 HA ILE 17 HA ILE 17 30.293 2.388 1.198
153 HB ILE 17 HB ILE 17 29.808 0.089 2.426
154 HG12 ILE 17 HG12 ILE 17 27.597 0.382 3.673
155 HG13 ILE 17 HG11 ILE 17 27.154 1.565 2.444
156 HG21 ILE 17 HG21 ILE 17 29.588 2.934 3.321
157 HG22 ILE 17 HG22 ILE 17 30.769 1.705 3.762
158 HG23 ILE 17 HG23 ILE 17 29.158 1.674 4.474
159 HD11 ILE 17 HD11 ILE 17 26.404 -0.886 2.086
160 HD12 ILE 17 HD12 ILE 17 28.092 -1.197 1.680
161 HD13 ILE 17 HD13 ILE 17 27.151 -0.053 0.723
162 H SER 18 HN SER 18 31.575 0.458 0.867
163 HA SER 18 HA SER 18 30.760 -0.996 -1.575
164 HB2 SER 18 HB2 SER 18 33.511 -0.309 -0.531
165 HB3 SER 18 HB1 SER 18 33.172 -1.198 -2.012
166 HG SER 18 HG SER 18 33.025 1.505 -1.466
167 H ARG 19 HN ARG 19 31.312 -3.218 -1.708
168 HA ARG 19 HA ARG 19 32.399 -4.485 0.699
169 HB2 ARG 19 HB2 ARG 19 30.271 -6.140 -0.350
170 HB3 ARG 19 HB1 ARG 19 30.533 -5.576 1.297
171 HG2 ARG 19 HG2 ARG 19 28.577 -4.462 0.955
172 HG3 ARG 19 HG1 ARG 19 29.608 -3.286 0.144
173 HD2 ARG 19 HD2 ARG 19 29.152 -4.261 -2.016
174 HD3 ARG 19 HD1 ARG 19 28.348 -5.645 -1.275
175 HE ARG 19 HE ARG 19 26.423 -4.362 -1.098
176 HH11 ARG 19 HH11 ARG 19 25.231 -2.427 -1.214
177 HH12 ARG 19 HH12 ARG 19 26.055 -0.915 -1.470
178 HH21 ARG 19 HH21 ARG 19 29.198 -2.357 -1.644
179 HH22 ARG 19 HH22 ARG 19 28.297 -0.873 -1.685
180 H ARG 20 HN ARG 20 33.962 -5.713 0.116
181 HA ARG 20 HA ARG 20 34.960 -6.222 -2.346
182 HB2 ARG 20 HB2 ARG 20 35.857 -8.399 -1.290
183 HB3 ARG 20 HB1 ARG 20 36.276 -6.879 -0.499
184 HG2 ARG 20 HG2 ARG 20 34.923 -7.289 1.318
185 HG3 ARG 20 HG1 ARG 20 33.723 -8.157 0.360
186 HD2 ARG 20 HD2 ARG 20 34.765 -10.177 0.633
187 HD3 ARG 20 HD1 ARG 20 36.377 -9.468 0.563
188 HE ARG 20 HE ARG 20 36.327 -9.211 2.880
189 HH11 ARG 20 HH11 ARG 20 35.392 -9.511 4.922
190 HH12 ARG 20 HH12 ARG 20 33.737 -10.007 5.053
191 HH21 ARG 20 HH21 ARG 20 33.205 -10.071 1.619
192 HH22 ARG 20 HH22 ARG 20 32.497 -10.318 3.180
193 HN1 NH2 21 H1 NH2 21 34.812 -8.093 -3.851
194 HN2 NH2 21 H2 NH2 21 33.402 -9.033 -3.907
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