Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636108 | 6cfa RC | 30408 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 HT1 PRO 1 5.965 3.059 -5.103
2 H3 PRO 1 HT2 PRO 1 4.290 3.061 -5.367
3 HA PRO 1 HA PRO 1 3.932 1.642 -3.729
4 HB2 PRO 1 HB2 PRO 1 6.242 -0.147 -4.295
5 HB3 PRO 1 HB1 PRO 1 4.517 -0.539 -4.106
6 HG2 PRO 1 HG2 PRO 1 5.737 -0.496 -6.506
7 HG3 PRO 1 HG1 PRO 1 4.030 -0.075 -6.287
8 HD2 PRO 1 HD2 PRO 1 6.351 1.718 -6.832
9 HD3 PRO 1 HD1 PRO 1 4.638 1.935 -7.248
10 H MET 2 HN MET 2 4.981 3.742 -2.774
11 HA MET 2 HA MET 2 7.570 3.820 -1.780
12 HB2 MET 2 HB2 MET 2 6.518 5.285 0.054
13 HB3 MET 2 HB1 MET 2 6.316 5.809 -1.616
14 HG2 MET 2 HG2 MET 2 4.195 3.984 -0.693
15 HG3 MET 2 HG1 MET 2 4.263 5.504 0.201
16 HE1 MET 2 HE1 MET 2 2.957 3.660 -2.610
17 HE2 MET 2 HE2 MET 2 1.964 4.891 -3.382
18 HE3 MET 2 HE3 MET 2 1.781 4.576 -1.658
19 H ALA 3 HN ALA 3 4.727 2.169 -0.539
20 HA ALA 3 HA ALA 3 5.585 1.605 2.053
21 HB1 ALA 3 HB1 ALA 3 3.849 0.044 0.139
22 HB2 ALA 3 HB2 ALA 3 3.332 1.099 1.453
23 HB3 ALA 3 HB3 ALA 3 4.102 -0.445 1.813
24 H ARG 4 HN ARG 4 5.997 -0.358 -0.878
25 HA ARG 4 HA ARG 4 7.673 -2.288 0.439
26 HB2 ARG 4 HB2 ARG 4 7.950 -2.319 -2.446
27 HB3 ARG 4 HB1 ARG 4 7.214 -3.518 -1.383
28 HG2 ARG 4 HG2 ARG 4 5.139 -2.110 -1.337
29 HG3 ARG 4 HG1 ARG 4 5.899 -1.039 -2.519
30 HD2 ARG 4 HD2 ARG 4 5.693 -2.540 -4.227
31 HD3 ARG 4 HD1 ARG 4 5.924 -3.932 -3.185
32 HE ARG 4 HE ARG 4 3.378 -2.592 -3.743
33 HH11 ARG 4 HH11 ARG 4 1.561 -3.715 -2.989
34 HH12 ARG 4 HH12 ARG 4 1.751 -5.082 -1.944
35 HH21 ARG 4 HH21 ARG 4 5.214 -4.910 -1.905
36 HH22 ARG 4 HH22 ARG 4 3.820 -5.763 -1.338
37 H ASN 5 HN ASN 5 8.152 0.582 -1.487
38 HA ASN 5 HA ASN 5 10.835 0.238 -2.201
39 HB2 ASN 5 HB2 ASN 5 9.886 2.023 -3.289
40 HB3 ASN 5 HB1 ASN 5 8.992 2.547 -1.871
41 HD21 ASN 5 HD21 ASN 5 12.363 2.382 -3.116
42 HD22 ASN 5 HD22 ASN 5 12.885 3.784 -2.310
43 H LYS 6 HN LYS 6 9.441 1.799 0.686
44 HA LYS 6 HA LYS 6 11.831 2.680 1.826
45 HB2 LYS 6 HB2 LYS 6 9.125 2.014 2.878
46 HB3 LYS 6 HB1 LYS 6 10.436 2.155 4.048
47 HG2 LYS 6 HG2 LYS 6 9.576 4.350 3.892
48 HG3 LYS 6 HG1 LYS 6 11.006 4.381 2.861
49 HD2 LYS 6 HD2 LYS 6 9.391 3.760 0.937
50 HD3 LYS 6 HD1 LYS 6 8.101 4.227 2.049
51 HE2 LYS 6 HE2 LYS 6 8.474 6.268 1.049
52 HE3 LYS 6 HE1 LYS 6 9.655 6.383 2.355
53 HZ1 LYS 6 HZ1 LYS 6 11.393 6.014 0.943
54 HZ2 LYS 6 HZ2 LYS 6 10.341 6.823 -0.107
55 HZ3 LYS 6 HZ3 LYS 6 10.474 5.127 -0.181
56 H LYS 7 HN LYS 7 10.234 -0.462 2.125
57 HA LYS 7 HA LYS 7 12.020 -1.536 4.031
58 HB2 LYS 7 HB2 LYS 7 10.819 -3.404 2.070
59 HB3 LYS 7 HB1 LYS 7 10.813 -3.453 3.831
60 HG2 LYS 7 HG2 LYS 7 9.018 -1.834 2.014
61 HG3 LYS 7 HG1 LYS 7 8.551 -3.016 3.230
62 HD2 LYS 7 HD2 LYS 7 10.013 -1.122 4.668
63 HD3 LYS 7 HD1 LYS 7 9.052 -0.168 3.546
64 HE2 LYS 7 HE2 LYS 7 7.987 -2.301 5.416
65 HE3 LYS 7 HE1 LYS 7 7.765 -0.564 5.579
66 HZ1 LYS 7 HZ1 LYS 7 5.928 -0.890 4.401
67 HZ2 LYS 7 HZ2 LYS 7 6.417 -2.420 3.853
68 HZ3 LYS 7 HZ3 LYS 7 6.951 -1.019 3.052
69 H LEU 8 HN LEU 8 12.004 -1.669 0.483
70 HA LEU 8 HA LEU 8 14.381 -3.278 0.354
71 HB2 LEU 8 HB2 LEU 8 12.993 -1.590 -1.740
72 HB3 LEU 8 HB1 LEU 8 14.333 -2.689 -2.065
73 HG LEU 8 HG LEU 8 12.246 -4.007 -0.510
74 HD11 LEU 8 HD11 LEU 8 10.369 -3.518 -1.646
75 HD12 LEU 8 HD12 LEU 8 11.174 -3.733 -3.198
76 HD13 LEU 8 HD13 LEU 8 11.239 -2.172 -2.378
77 HD21 LEU 8 HD21 LEU 8 13.890 -4.463 -2.958
78 HD22 LEU 8 HD22 LEU 8 12.392 -5.381 -2.822
79 HD23 LEU 8 HD23 LEU 8 13.624 -5.514 -1.570
80 H LEU 9 HN LEU 9 13.667 0.186 0.106
81 HA LEU 9 HA LEU 9 16.197 1.087 -0.706
82 HB2 LEU 9 HB2 LEU 9 13.875 2.346 -0.218
83 HB3 LEU 9 HB1 LEU 9 14.716 2.734 1.283
84 HG LEU 9 HG LEU 9 16.688 3.459 -0.173
85 HD11 LEU 9 HD11 LEU 9 16.512 2.961 -2.380
86 HD12 LEU 9 HD12 LEU 9 15.287 4.225 -2.491
87 HD13 LEU 9 HD13 LEU 9 14.806 2.551 -2.215
88 HD21 LEU 9 HD21 LEU 9 14.072 4.969 -0.464
89 HD22 LEU 9 HD22 LEU 9 15.684 5.655 -0.651
90 HD23 LEU 9 HD23 LEU 9 15.158 5.067 0.925
91 H LYS 10 HN LYS 10 14.910 0.502 2.556
92 HA LYS 10 HA LYS 10 17.130 1.424 4.018
93 HB2 LYS 10 HB2 LYS 10 15.196 -0.816 4.668
94 HB3 LYS 10 HB1 LYS 10 16.336 -0.112 5.810
95 HG2 LYS 10 HG2 LYS 10 14.941 2.058 4.613
96 HG3 LYS 10 HG1 LYS 10 13.735 0.851 5.053
97 HD2 LYS 10 HD2 LYS 10 15.842 1.999 6.901
98 HD3 LYS 10 HD1 LYS 10 14.120 2.368 6.938
99 HE2 LYS 10 HE2 LYS 10 13.899 -0.275 7.129
100 HE3 LYS 10 HE1 LYS 10 15.537 -0.142 7.768
101 HZ1 LYS 10 HZ1 LYS 10 13.059 1.075 8.814
102 HZ2 LYS 10 HZ2 LYS 10 14.592 1.659 9.244
103 HZ3 LYS 10 HZ3 LYS 10 14.158 0.060 9.611
104 H LYS 11 HN LYS 11 16.651 -1.499 2.214
105 HA LYS 11 HA LYS 11 18.914 -2.824 3.438
106 HB2 LYS 11 HB2 LYS 11 16.879 -3.608 1.367
107 HB3 LYS 11 HB1 LYS 11 18.307 -4.591 1.659
108 HG2 LYS 11 HG2 LYS 11 16.118 -5.144 2.964
109 HG3 LYS 11 HG1 LYS 11 17.646 -5.144 3.838
110 HD2 LYS 11 HD2 LYS 11 17.189 -3.073 4.875
111 HD3 LYS 11 HD1 LYS 11 15.955 -2.655 3.689
112 HE2 LYS 11 HE2 LYS 11 15.666 -4.995 5.584
113 HE3 LYS 11 HE1 LYS 11 15.075 -3.377 5.960
114 HZ1 LYS 11 HZ1 LYS 11 14.069 -3.695 3.528
115 HZ2 LYS 11 HZ2 LYS 11 13.243 -4.137 4.948
116 HZ3 LYS 11 HZ3 LYS 11 14.065 -5.315 4.045
117 H LEU 12 HN LEU 12 18.057 -1.228 0.433
118 HA LEU 12 HA LEU 12 20.397 -2.029 -1.005
119 HB2 LEU 12 HB2 LEU 12 18.317 0.102 -1.435
120 HB3 LEU 12 HB1 LEU 12 19.695 -0.096 -2.515
121 HG LEU 12 HG LEU 12 18.063 -2.508 -1.814
122 HD11 LEU 12 HD11 LEU 12 17.311 -0.365 -3.821
123 HD12 LEU 12 HD12 LEU 12 16.348 -0.913 -2.450
124 HD13 LEU 12 HD13 LEU 12 16.621 -1.988 -3.820
125 HD21 LEU 12 HD21 LEU 12 18.728 -3.116 -4.139
126 HD22 LEU 12 HD22 LEU 12 20.124 -2.761 -3.122
127 HD23 LEU 12 HD23 LEU 12 19.553 -1.563 -4.284
128 H ARG 13 HN ARG 13 19.668 0.740 1.069
129 HA ARG 13 HA ARG 13 21.697 2.427 0.128
130 HB2 ARG 13 HB2 ARG 13 21.510 3.555 2.377
131 HB3 ARG 13 HB1 ARG 13 20.013 3.395 1.467
132 HG2 ARG 13 HG2 ARG 13 19.075 2.257 3.152
133 HG3 ARG 13 HG1 ARG 13 20.353 1.048 3.080
134 HD2 ARG 13 HD2 ARG 13 21.731 2.260 4.605
135 HD3 ARG 13 HD1 ARG 13 20.752 3.711 4.451
136 HE ARG 13 HE ARG 13 20.150 1.367 6.082
137 HH11 ARG 13 HH11 ARG 13 18.475 1.695 7.571
138 HH12 ARG 13 HH12 ARG 13 17.456 3.091 7.446
139 HH21 ARG 13 HH21 ARG 13 19.045 4.311 4.598
140 HH22 ARG 13 HH22 ARG 13 17.776 4.576 5.746
141 H LEU 14 HN LEU 14 21.930 0.295 3.066
142 HA LEU 14 HA LEU 14 24.639 1.023 3.483
143 HB2 LEU 14 HB2 LEU 14 24.706 -1.126 4.881
144 HB3 LEU 14 HB1 LEU 14 23.624 0.162 5.390
145 HG LEU 14 HG LEU 14 22.680 -2.206 5.407
146 HD11 LEU 14 HD11 LEU 14 20.674 -1.238 5.373
147 HD12 LEU 14 HD12 LEU 14 20.811 -0.860 3.659
148 HD13 LEU 14 HD13 LEU 14 21.485 0.239 4.862
149 HD21 LEU 14 HD21 LEU 14 21.995 -3.208 3.367
150 HD22 LEU 14 HD22 LEU 14 23.691 -2.782 3.163
151 HD23 LEU 14 HD23 LEU 14 22.435 -1.780 2.433
152 H LYS 15 HN LYS 15 23.366 -0.821 1.007
153 HA LYS 15 HA LYS 15 25.625 -2.649 0.823
154 HB2 LYS 15 HB2 LYS 15 23.021 -2.351 -0.507
155 HB3 LYS 15 HB1 LYS 15 24.330 -2.800 -1.600
156 HG2 LYS 15 HG2 LYS 15 24.703 -4.827 -0.557
157 HG3 LYS 15 HG1 LYS 15 24.155 -4.238 1.012
158 HD2 LYS 15 HD2 LYS 15 21.969 -4.136 -0.875
159 HD3 LYS 15 HD1 LYS 15 22.665 -5.754 -0.853
160 HE2 LYS 15 HE2 LYS 15 22.088 -4.315 1.725
161 HE3 LYS 15 HE1 LYS 15 20.807 -5.177 0.884
162 HZ1 LYS 15 HZ1 LYS 15 21.690 -7.151 1.386
163 HZ2 LYS 15 HZ2 LYS 15 22.481 -6.309 2.629
164 HZ3 LYS 15 HZ3 LYS 15 23.291 -6.633 1.171
165 H ILE 16 HN ILE 16 24.432 0.258 -0.878
166 HA ILE 16 HA ILE 16 26.917 0.303 -2.391
167 HB ILE 16 HB ILE 16 25.772 1.283 -4.043
168 HG12 ILE 16 HG12 ILE 16 25.473 3.391 -2.590
169 HG13 ILE 16 HG11 ILE 16 24.292 3.134 -3.868
170 HG21 ILE 16 HG21 ILE 16 24.368 -0.661 -3.262
171 HG22 ILE 16 HG22 ILE 16 23.527 0.541 -4.238
172 HG23 ILE 16 HG23 ILE 16 23.314 0.525 -2.492
173 HD11 ILE 16 HD11 ILE 16 23.540 3.689 -1.362
174 HD12 ILE 16 HD12 ILE 16 23.698 1.941 -1.198
175 HD13 ILE 16 HD13 ILE 16 22.599 2.615 -2.395
176 H ALA 17 HN ALA 17 25.092 2.072 -0.012
177 HA ALA 17 HA ALA 17 26.752 4.418 -0.099
178 HB1 ALA 17 HB1 ALA 17 24.283 4.070 0.812
179 HB2 ALA 17 HB2 ALA 17 25.348 5.304 1.480
180 HB3 ALA 17 HB3 ALA 17 25.143 3.768 2.322
181 H PHE 18 HN PHE 18 27.735 1.493 0.660
182 HA PHE 18 HA PHE 18 29.259 2.349 3.052
183 HB2 PHE 18 HB2 PHE 18 28.094 -0.267 2.219
184 HB3 PHE 18 HB1 PHE 18 29.661 -0.314 3.023
185 HD1 PHE 18 HD1 PHE 18 26.741 1.999 3.507
186 HD2 PHE 18 HD2 PHE 18 29.265 -1.035 5.217
187 HE1 PHE 18 HE1 PHE 18 25.638 2.318 5.701
188 HE2 PHE 18 HE2 PHE 18 28.158 -0.716 7.409
189 HZ PHE 18 HZ PHE 18 26.347 0.965 7.654
190 H LYS 19 HN LYS 19 29.424 1.908 -0.223
191 HA LYS 19 HA LYS 19 32.356 1.608 -0.141
192 HB2 LYS 19 HB2 LYS 19 31.637 0.548 -2.591
193 HB3 LYS 19 HB1 LYS 19 32.090 -0.382 -1.170
194 HG2 LYS 19 HG2 LYS 19 29.238 0.515 -1.470
195 HG3 LYS 19 HG1 LYS 19 29.807 -0.878 -2.386
196 HD2 LYS 19 HD2 LYS 19 30.619 -0.911 0.453
197 HD3 LYS 19 HD1 LYS 19 28.875 -1.000 0.198
198 HE2 LYS 19 HE2 LYS 19 30.866 -2.743 -1.264
199 HE3 LYS 19 HE1 LYS 19 30.049 -3.244 0.214
200 HZ1 LYS 19 HZ1 LYS 19 28.011 -2.349 -1.334
201 HZ2 LYS 19 HZ2 LYS 19 28.470 -3.979 -1.158
202 HZ3 LYS 19 HZ3 LYS 19 29.041 -3.080 -2.474
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 3.978 1.731 -5.720
2 H3 PRO 1 HT2 PRO 1 2.558 2.578 -5.352
3 HA PRO 1 HA PRO 1 2.493 1.875 -3.255
4 HB2 PRO 1 HB2 PRO 1 3.773 -0.769 -3.733
5 HB3 PRO 1 HB1 PRO 1 2.320 -0.363 -2.793
6 HG2 PRO 1 HG2 PRO 1 2.256 -1.464 -5.293
7 HG3 PRO 1 HG1 PRO 1 0.964 -0.475 -4.597
8 HD2 PRO 1 HD2 PRO 1 2.792 0.199 -6.793
9 HD3 PRO 1 HD1 PRO 1 1.301 1.015 -6.291
10 H MET 2 HN MET 2 4.261 3.559 -3.359
11 HA MET 2 HA MET 2 6.992 2.920 -3.490
12 HB2 MET 2 HB2 MET 2 7.286 5.061 -2.164
13 HB3 MET 2 HB1 MET 2 6.323 5.219 -3.631
14 HG2 MET 2 HG2 MET 2 4.942 4.624 -1.031
15 HG3 MET 2 HG1 MET 2 5.453 6.274 -1.377
16 HE1 MET 2 HE1 MET 2 2.988 4.104 -1.127
17 HE2 MET 2 HE2 MET 2 1.794 4.236 -2.413
18 HE3 MET 2 HE3 MET 2 1.985 5.552 -1.258
19 H ALA 3 HN ALA 3 4.675 2.241 -1.058
20 HA ALA 3 HA ALA 3 6.207 2.294 1.269
21 HB1 ALA 3 HB1 ALA 3 4.026 0.328 0.537
22 HB2 ALA 3 HB2 ALA 3 3.779 1.911 1.273
23 HB3 ALA 3 HB3 ALA 3 4.622 0.647 2.165
24 H ARG 4 HN ARG 4 6.343 0.132 -1.415
25 HA ARG 4 HA ARG 4 7.599 -2.075 -0.093
26 HB2 ARG 4 HB2 ARG 4 8.098 -2.878 -2.323
27 HB3 ARG 4 HB1 ARG 4 6.469 -2.193 -2.337
28 HG2 ARG 4 HG2 ARG 4 7.554 0.001 -3.087
29 HG3 ARG 4 HG1 ARG 4 9.027 -0.937 -3.359
30 HD2 ARG 4 HD2 ARG 4 7.685 -2.463 -4.854
31 HD3 ARG 4 HD1 ARG 4 6.339 -1.332 -4.705
32 HE ARG 4 HE ARG 4 8.596 0.145 -5.478
33 HH11 ARG 4 HH11 ARG 4 8.908 0.674 -7.660
34 HH12 ARG 4 HH12 ARG 4 8.112 -0.242 -8.895
35 HH21 ARG 4 HH21 ARG 4 6.538 -2.374 -6.681
36 HH22 ARG 4 HH22 ARG 4 6.771 -1.957 -8.341
37 H ASN 5 HN ASN 5 8.753 0.769 -1.811
38 HA ASN 5 HA ASN 5 11.489 0.132 -1.887
39 HB2 ASN 5 HB2 ASN 5 10.564 1.913 -3.252
40 HB3 ASN 5 HB1 ASN 5 10.125 2.833 -1.815
41 HD21 ASN 5 HD21 ASN 5 11.631 4.386 -1.230
42 HD22 ASN 5 HD22 ASN 5 13.282 4.341 -1.622
43 H LYS 6 HN LYS 6 9.587 1.852 0.563
44 HA LYS 6 HA LYS 6 11.675 2.733 2.194
45 HB2 LYS 6 HB2 LYS 6 8.797 2.111 2.627
46 HB3 LYS 6 HB1 LYS 6 9.817 2.234 4.057
47 HG2 LYS 6 HG2 LYS 6 9.121 4.454 3.756
48 HG3 LYS 6 HG1 LYS 6 10.690 4.441 2.955
49 HD2 LYS 6 HD2 LYS 6 9.611 4.148 0.773
50 HD3 LYS 6 HD1 LYS 6 8.030 4.041 1.549
51 HE2 LYS 6 HE2 LYS 6 8.254 6.304 0.761
52 HE3 LYS 6 HE1 LYS 6 8.455 6.348 2.514
53 HZ1 LYS 6 HZ1 LYS 6 10.504 6.606 0.410
54 HZ2 LYS 6 HZ2 LYS 6 10.937 6.052 1.953
55 HZ3 LYS 6 HZ3 LYS 6 10.235 7.585 1.766
56 H LYS 7 HN LYS 7 10.175 -0.430 1.970
57 HA LYS 7 HA LYS 7 11.451 -1.474 4.312
58 HB2 LYS 7 HB2 LYS 7 10.572 -3.330 2.164
59 HB3 LYS 7 HB1 LYS 7 10.295 -3.404 3.903
60 HG2 LYS 7 HG2 LYS 7 8.841 -1.731 1.853
61 HG3 LYS 7 HG1 LYS 7 8.165 -2.919 2.956
62 HD2 LYS 7 HD2 LYS 7 9.389 -1.101 4.657
63 HD3 LYS 7 HD1 LYS 7 8.702 -0.084 3.396
64 HE2 LYS 7 HE2 LYS 7 7.106 -2.279 4.723
65 HE3 LYS 7 HE1 LYS 7 7.144 -0.633 5.341
66 HZ1 LYS 7 HZ1 LYS 7 6.712 -0.620 2.545
67 HZ2 LYS 7 HZ2 LYS 7 5.731 0.005 3.788
68 HZ3 LYS 7 HZ3 LYS 7 5.557 -1.611 3.305
69 H LEU 8 HN LEU 8 12.129 -1.606 0.839
70 HA LEU 8 HA LEU 8 14.453 -3.288 1.241
71 HB2 LEU 8 HB2 LEU 8 13.199 -1.995 -1.172
72 HB3 LEU 8 HB1 LEU 8 14.753 -2.821 -1.256
73 HG LEU 8 HG LEU 8 13.024 -4.551 0.177
74 HD11 LEU 8 HD11 LEU 8 11.707 -3.150 -2.134
75 HD12 LEU 8 HD12 LEU 8 11.012 -3.648 -0.593
76 HD13 LEU 8 HD13 LEU 8 11.358 -4.852 -1.833
77 HD21 LEU 8 HD21 LEU 8 14.764 -5.413 -1.205
78 HD22 LEU 8 HD22 LEU 8 14.190 -4.526 -2.615
79 HD23 LEU 8 HD23 LEU 8 13.266 -5.895 -2.003
80 H LEU 9 HN LEU 9 13.822 0.156 0.884
81 HA LEU 9 HA LEU 9 16.315 1.022 -0.006
82 HB2 LEU 9 HB2 LEU 9 14.039 2.294 0.705
83 HB3 LEU 9 HB1 LEU 9 15.036 2.660 2.107
84 HG LEU 9 HG LEU 9 15.350 4.415 0.463
85 HD11 LEU 9 HD11 LEU 9 17.714 4.397 0.335
86 HD12 LEU 9 HD12 LEU 9 17.780 2.640 0.218
87 HD13 LEU 9 HD13 LEU 9 17.342 3.406 1.744
88 HD21 LEU 9 HD21 LEU 9 15.295 4.016 -1.750
89 HD22 LEU 9 HD22 LEU 9 15.010 2.313 -1.390
90 HD23 LEU 9 HD23 LEU 9 16.656 2.900 -1.631
91 H LYS 10 HN LYS 10 15.223 0.487 3.362
92 HA LYS 10 HA LYS 10 17.632 1.254 4.590
93 HB2 LYS 10 HB2 LYS 10 16.863 -0.305 6.469
94 HB3 LYS 10 HB1 LYS 10 15.775 1.012 6.032
95 HG2 LYS 10 HG2 LYS 10 14.972 -1.002 4.320
96 HG3 LYS 10 HG1 LYS 10 15.390 -1.894 5.781
97 HD2 LYS 10 HD2 LYS 10 13.591 0.546 5.749
98 HD3 LYS 10 HD1 LYS 10 13.000 -1.115 5.720
99 HE2 LYS 10 HE2 LYS 10 14.982 -0.660 7.833
100 HE3 LYS 10 HE1 LYS 10 13.560 0.369 8.001
101 HZ1 LYS 10 HZ1 LYS 10 13.725 -2.198 8.810
102 HZ2 LYS 10 HZ2 LYS 10 12.947 -2.358 7.312
103 HZ3 LYS 10 HZ3 LYS 10 12.280 -1.363 8.517
104 H LYS 11 HN LYS 11 16.777 -1.590 2.841
105 HA LYS 11 HA LYS 11 19.062 -3.070 3.829
106 HB2 LYS 11 HB2 LYS 11 16.654 -3.705 2.205
107 HB3 LYS 11 HB1 LYS 11 18.101 -4.661 1.898
108 HG2 LYS 11 HG2 LYS 11 16.706 -5.740 3.610
109 HG3 LYS 11 HG1 LYS 11 18.233 -5.219 4.319
110 HD2 LYS 11 HD2 LYS 11 17.215 -3.342 5.380
111 HD3 LYS 11 HD1 LYS 11 15.746 -3.495 4.416
112 HE2 LYS 11 HE2 LYS 11 16.682 -5.631 6.354
113 HE3 LYS 11 HE1 LYS 11 15.540 -4.364 6.785
114 HZ1 LYS 11 HZ1 LYS 11 15.051 -6.768 5.413
115 HZ2 LYS 11 HZ2 LYS 11 14.664 -5.479 4.385
116 HZ3 LYS 11 HZ3 LYS 11 13.945 -5.595 5.923
117 H LEU 12 HN LEU 12 17.918 -1.458 0.917
118 HA LEU 12 HA LEU 12 20.123 -2.239 -0.727
119 HB2 LEU 12 HB2 LEU 12 18.032 -0.084 -1.002
120 HB3 LEU 12 HB1 LEU 12 19.238 -0.432 -2.243
121 HG LEU 12 HG LEU 12 17.533 -2.661 -1.138
122 HD11 LEU 12 HD11 LEU 12 16.769 -0.752 -3.369
123 HD12 LEU 12 HD12 LEU 12 15.961 -0.885 -1.807
124 HD13 LEU 12 HD13 LEU 12 15.902 -2.229 -2.947
125 HD21 LEU 12 HD21 LEU 12 18.002 -3.645 -3.320
126 HD22 LEU 12 HD22 LEU 12 19.519 -3.097 -2.607
127 HD23 LEU 12 HD23 LEU 12 18.744 -2.141 -3.869
128 H ARG 13 HN ARG 13 19.629 0.420 1.500
129 HA ARG 13 HA ARG 13 21.444 2.259 0.409
130 HB2 ARG 13 HB2 ARG 13 21.663 3.019 2.877
131 HB3 ARG 13 HB1 ARG 13 20.090 3.136 2.092
132 HG2 ARG 13 HG2 ARG 13 19.209 1.816 3.660
133 HG3 ARG 13 HG1 ARG 13 20.297 0.513 3.192
134 HD2 ARG 13 HD2 ARG 13 22.027 1.405 4.711
135 HD3 ARG 13 HD1 ARG 13 20.949 2.728 5.159
136 HE ARG 13 HE ARG 13 19.853 0.054 5.551
137 HH11 ARG 13 HH11 ARG 13 19.298 -0.427 7.708
138 HH12 ARG 13 HH12 ARG 13 19.886 0.575 8.993
139 HH21 ARG 13 HH21 ARG 13 21.636 2.722 6.888
140 HH22 ARG 13 HH22 ARG 13 21.216 2.362 8.528
141 H LEU 14 HN LEU 14 22.039 -0.338 2.797
142 HA LEU 14 HA LEU 14 24.729 0.349 3.251
143 HB2 LEU 14 HB2 LEU 14 24.987 -2.085 3.931
144 HB3 LEU 14 HB1 LEU 14 23.769 -1.152 4.796
145 HG LEU 14 HG LEU 14 22.676 -2.404 2.385
146 HD11 LEU 14 HD11 LEU 14 24.275 -4.162 2.796
147 HD12 LEU 14 HD12 LEU 14 22.718 -4.716 3.411
148 HD13 LEU 14 HD13 LEU 14 23.949 -4.126 4.528
149 HD21 LEU 14 HD21 LEU 14 21.088 -1.660 3.932
150 HD22 LEU 14 HD22 LEU 14 22.053 -2.157 5.316
151 HD23 LEU 14 HD23 LEU 14 21.195 -3.368 4.367
152 H LYS 15 HN LYS 15 23.311 -0.903 0.406
153 HA LYS 15 HA LYS 15 25.738 -2.269 -0.478
154 HB2 LYS 15 HB2 LYS 15 23.081 -1.705 -1.797
155 HB3 LYS 15 HB1 LYS 15 24.437 -2.422 -2.666
156 HG2 LYS 15 HG2 LYS 15 23.679 -4.412 -1.899
157 HG3 LYS 15 HG1 LYS 15 24.348 -3.929 -0.341
158 HD2 LYS 15 HD2 LYS 15 22.114 -2.755 0.094
159 HD3 LYS 15 HD1 LYS 15 21.499 -3.619 -1.317
160 HE2 LYS 15 HE2 LYS 15 22.625 -4.841 1.218
161 HE3 LYS 15 HE1 LYS 15 20.960 -4.939 0.635
162 HZ1 LYS 15 HZ1 LYS 15 23.091 -6.638 0.042
163 HZ2 LYS 15 HZ2 LYS 15 22.685 -5.820 -1.392
164 HZ3 LYS 15 HZ3 LYS 15 21.507 -6.698 -0.552
165 H ILE 16 HN ILE 16 23.969 0.741 -1.207
166 HA ILE 16 HA ILE 16 25.992 1.561 -3.113
167 HB ILE 16 HB ILE 16 24.374 2.883 -3.894
168 HG12 ILE 16 HG12 ILE 16 25.173 4.539 -2.082
169 HG13 ILE 16 HG11 ILE 16 23.570 4.800 -2.759
170 HG21 ILE 16 HG21 ILE 16 22.689 1.936 -1.562
171 HG22 ILE 16 HG22 ILE 16 22.914 1.059 -3.074
172 HG23 ILE 16 HG23 ILE 16 22.091 2.618 -3.073
173 HD11 ILE 16 HD11 ILE 16 23.370 2.981 -0.540
174 HD12 ILE 16 HD12 ILE 16 22.624 4.564 -0.739
175 HD13 ILE 16 HD13 ILE 16 24.237 4.429 -0.037
176 H ALA 17 HN ALA 17 25.382 1.823 0.238
177 HA ALA 17 HA ALA 17 27.284 4.042 0.582
178 HB1 ALA 17 HB1 ALA 17 26.597 4.043 2.908
179 HB2 ALA 17 HB2 ALA 17 25.687 2.550 2.680
180 HB3 ALA 17 HB3 ALA 17 25.157 4.037 1.894
181 H PHE 18 HN PHE 18 27.741 1.055 -0.179
182 HA PHE 18 HA PHE 18 29.455 0.145 2.002
183 HB2 PHE 18 HB2 PHE 18 27.909 -1.259 0.309
184 HB3 PHE 18 HB1 PHE 18 29.397 -1.257 -0.630
185 HD1 PHE 18 HD1 PHE 18 28.257 -1.794 2.912
186 HD2 PHE 18 HD2 PHE 18 30.958 -2.898 -0.232
187 HE1 PHE 18 HE1 PHE 18 29.206 -3.570 4.357
188 HE2 PHE 18 HE2 PHE 18 31.909 -4.678 1.209
189 HZ PHE 18 HZ PHE 18 31.030 -5.019 3.506
190 H LYS 19 HN LYS 19 29.903 2.468 -0.104
191 HA LYS 19 HA LYS 19 32.703 1.703 -0.664
192 HB2 LYS 19 HB2 LYS 19 32.275 3.561 -2.563
193 HB3 LYS 19 HB1 LYS 19 31.991 1.839 -2.819
194 HG2 LYS 19 HG2 LYS 19 29.760 3.436 -1.639
195 HG3 LYS 19 HG1 LYS 19 30.104 3.660 -3.351
196 HD2 LYS 19 HD2 LYS 19 29.796 0.902 -2.136
197 HD3 LYS 19 HD1 LYS 19 28.414 1.800 -2.759
198 HE2 LYS 19 HE2 LYS 19 30.877 1.393 -4.444
199 HE3 LYS 19 HE1 LYS 19 29.628 0.152 -4.355
200 HZ1 LYS 19 HZ1 LYS 19 29.304 2.961 -5.232
201 HZ2 LYS 19 HZ2 LYS 19 28.009 1.894 -4.981
202 HZ3 LYS 19 HZ3 LYS 19 29.158 1.569 -6.183
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 3.093 1.399 -4.477
2 H3 PRO 1 HT2 PRO 1 1.492 1.879 -4.174
3 HA PRO 1 HA PRO 1 1.896 1.988 -2.028
4 HB2 PRO 1 HB2 PRO 1 3.116 -0.652 -1.645
5 HB3 PRO 1 HB1 PRO 1 1.592 -0.011 -1.003
6 HG2 PRO 1 HG2 PRO 1 1.732 -1.897 -2.967
7 HG3 PRO 1 HG1 PRO 1 0.378 -0.780 -2.752
8 HD2 PRO 1 HD2 PRO 1 2.528 -0.740 -4.810
9 HD3 PRO 1 HD1 PRO 1 0.866 -0.128 -4.901
10 H MET 2 HN MET 2 3.579 3.534 -2.248
11 HA MET 2 HA MET 2 6.267 3.002 -2.818
12 HB2 MET 2 HB2 MET 2 6.753 5.117 -1.615
13 HB3 MET 2 HB1 MET 2 5.407 5.280 -2.736
14 HG2 MET 2 HG2 MET 2 4.622 4.448 -0.013
15 HG3 MET 2 HG1 MET 2 5.334 6.062 -0.112
16 HE1 MET 2 HE1 MET 2 2.668 3.867 -0.299
17 HE2 MET 2 HE2 MET 2 1.316 4.587 -1.168
18 HE3 MET 2 HE3 MET 2 1.800 5.240 0.395
19 H ALA 3 HN ALA 3 4.428 2.051 -0.159
20 HA ALA 3 HA ALA 3 6.182 2.134 1.984
21 HB1 ALA 3 HB1 ALA 3 3.687 0.863 1.357
22 HB2 ALA 3 HB2 ALA 3 4.352 1.272 2.939
23 HB3 ALA 3 HB3 ALA 3 4.732 -0.282 2.197
24 H ARG 4 HN ARG 4 6.115 -0.124 -0.718
25 HA ARG 4 HA ARG 4 7.804 -2.058 0.538
26 HB2 ARG 4 HB2 ARG 4 8.221 -2.345 -2.189
27 HB3 ARG 4 HB1 ARG 4 7.025 -3.198 -1.216
28 HG2 ARG 4 HG2 ARG 4 5.413 -1.349 -1.630
29 HG3 ARG 4 HG1 ARG 4 6.602 -0.578 -2.679
30 HD2 ARG 4 HD2 ARG 4 6.346 -3.309 -3.496
31 HD3 ARG 4 HD1 ARG 4 4.728 -2.638 -3.340
32 HE ARG 4 HE ARG 4 5.195 -1.158 -5.096
33 HH11 ARG 4 HH11 ARG 4 6.418 -0.544 -6.897
34 HH12 ARG 4 HH12 ARG 4 8.038 -1.128 -7.085
35 HH21 ARG 4 HH21 ARG 4 8.001 -2.971 -4.140
36 HH22 ARG 4 HH22 ARG 4 8.938 -2.508 -5.523
37 H ASN 5 HN ASN 5 8.416 0.851 -1.334
38 HA ASN 5 HA ASN 5 11.104 0.367 -2.018
39 HB2 ASN 5 HB2 ASN 5 9.807 2.211 -2.990
40 HB3 ASN 5 HB1 ASN 5 9.767 3.020 -1.424
41 HD21 ASN 5 HD21 ASN 5 11.602 4.278 -0.843
42 HD22 ASN 5 HD22 ASN 5 13.023 4.346 -1.771
43 H LYS 6 HN LYS 6 9.707 1.971 0.832
44 HA LYS 6 HA LYS 6 12.103 2.705 2.073
45 HB2 LYS 6 HB2 LYS 6 9.407 1.969 3.204
46 HB3 LYS 6 HB1 LYS 6 10.746 2.492 4.228
47 HG2 LYS 6 HG2 LYS 6 9.917 4.116 1.824
48 HG3 LYS 6 HG1 LYS 6 9.071 4.296 3.363
49 HD2 LYS 6 HD2 LYS 6 11.613 4.463 4.254
50 HD3 LYS 6 HD1 LYS 6 11.852 5.065 2.616
51 HE2 LYS 6 HE2 LYS 6 10.048 6.190 4.768
52 HE3 LYS 6 HE1 LYS 6 11.351 7.002 3.898
53 HZ1 LYS 6 HZ1 LYS 6 9.433 7.760 2.859
54 HZ2 LYS 6 HZ2 LYS 6 8.670 6.245 2.919
55 HZ3 LYS 6 HZ3 LYS 6 9.947 6.513 1.832
56 H LYS 7 HN LYS 7 10.436 -0.383 1.984
57 HA LYS 7 HA LYS 7 12.028 -1.604 4.030
58 HB2 LYS 7 HB2 LYS 7 10.661 -3.270 1.966
59 HB3 LYS 7 HB1 LYS 7 10.743 -3.477 3.714
60 HG2 LYS 7 HG2 LYS 7 8.953 -1.652 2.125
61 HG3 LYS 7 HG1 LYS 7 8.513 -2.811 3.375
62 HD2 LYS 7 HD2 LYS 7 10.159 -1.116 4.772
63 HD3 LYS 7 HD1 LYS 7 9.368 -0.011 3.645
64 HE2 LYS 7 HE2 LYS 7 7.995 -1.925 5.543
65 HE3 LYS 7 HE1 LYS 7 7.978 -0.173 5.603
66 HZ1 LYS 7 HZ1 LYS 7 6.437 -1.947 3.961
67 HZ2 LYS 7 HZ2 LYS 7 7.142 -0.656 3.105
68 HZ3 LYS 7 HZ3 LYS 7 6.124 -0.350 4.425
69 H LEU 8 HN LEU 8 12.167 -1.511 0.489
70 HA LEU 8 HA LEU 8 14.426 -3.328 0.413
71 HB2 LEU 8 HB2 LEU 8 13.340 -1.586 -1.814
72 HB3 LEU 8 HB1 LEU 8 14.363 -3.010 -1.976
73 HG LEU 8 HG LEU 8 11.937 -3.574 -0.430
74 HD11 LEU 8 HD11 LEU 8 10.284 -3.161 -1.999
75 HD12 LEU 8 HD12 LEU 8 11.417 -3.103 -3.346
76 HD13 LEU 8 HD13 LEU 8 11.297 -1.739 -2.232
77 HD21 LEU 8 HD21 LEU 8 13.516 -5.243 -1.417
78 HD22 LEU 8 HD22 LEU 8 13.018 -4.710 -3.022
79 HD23 LEU 8 HD23 LEU 8 11.853 -5.481 -1.952
80 H LEU 9 HN LEU 9 13.864 0.144 -0.119
81 HA LEU 9 HA LEU 9 16.452 0.878 -0.869
82 HB2 LEU 9 HB2 LEU 9 14.253 2.275 -0.744
83 HB3 LEU 9 HB1 LEU 9 14.778 2.637 0.902
84 HG LEU 9 HG LEU 9 17.095 3.118 -0.381
85 HD11 LEU 9 HD11 LEU 9 16.760 4.091 -2.544
86 HD12 LEU 9 HD12 LEU 9 15.007 4.013 -2.383
87 HD13 LEU 9 HD13 LEU 9 15.939 2.530 -2.583
88 HD21 LEU 9 HD21 LEU 9 16.256 4.831 0.981
89 HD22 LEU 9 HD22 LEU 9 14.701 4.860 0.151
90 HD23 LEU 9 HD23 LEU 9 16.122 5.557 -0.622
91 H LYS 10 HN LYS 10 15.048 0.508 2.365
92 HA LYS 10 HA LYS 10 17.186 1.510 3.875
93 HB2 LYS 10 HB2 LYS 10 14.756 0.491 4.439
94 HB3 LYS 10 HB1 LYS 10 15.771 -0.864 4.917
95 HG2 LYS 10 HG2 LYS 10 17.117 0.697 6.309
96 HG3 LYS 10 HG1 LYS 10 15.989 1.992 5.892
97 HD2 LYS 10 HD2 LYS 10 15.305 -0.601 7.287
98 HD3 LYS 10 HD1 LYS 10 15.354 0.989 8.046
99 HE2 LYS 10 HE2 LYS 10 13.408 -0.068 5.994
100 HE3 LYS 10 HE1 LYS 10 13.055 0.638 7.574
101 HZ1 LYS 10 HZ1 LYS 10 14.153 2.723 6.593
102 HZ2 LYS 10 HZ2 LYS 10 12.584 2.341 6.086
103 HZ3 LYS 10 HZ3 LYS 10 13.909 1.986 5.089
104 H LYS 11 HN LYS 11 16.748 -1.561 2.271
105 HA LYS 11 HA LYS 11 19.010 -2.743 3.612
106 HB2 LYS 11 HB2 LYS 11 16.950 -3.720 1.657
107 HB3 LYS 11 HB1 LYS 11 18.426 -4.647 1.931
108 HG2 LYS 11 HG2 LYS 11 16.470 -5.320 3.398
109 HG3 LYS 11 HG1 LYS 11 17.937 -4.898 4.277
110 HD2 LYS 11 HD2 LYS 11 17.033 -2.959 5.140
111 HD3 LYS 11 HD1 LYS 11 15.992 -2.693 3.743
112 HE2 LYS 11 HE2 LYS 11 15.571 -4.844 5.831
113 HE3 LYS 11 HE1 LYS 11 14.695 -3.318 5.765
114 HZ1 LYS 11 HZ1 LYS 11 14.095 -3.987 3.411
115 HZ2 LYS 11 HZ2 LYS 11 13.342 -4.862 4.666
116 HZ3 LYS 11 HZ3 LYS 11 14.637 -5.545 3.816
117 H LEU 12 HN LEU 12 18.090 -1.838 0.300
118 HA LEU 12 HA LEU 12 20.590 -2.546 -0.864
119 HB2 LEU 12 HB2 LEU 12 18.516 -0.578 -1.851
120 HB3 LEU 12 HB1 LEU 12 19.790 -1.327 -2.820
121 HG LEU 12 HG LEU 12 17.935 -3.121 -1.288
122 HD11 LEU 12 HD11 LEU 12 16.447 -1.481 -2.401
123 HD12 LEU 12 HD12 LEU 12 16.316 -3.076 -3.141
124 HD13 LEU 12 HD13 LEU 12 17.248 -1.807 -3.936
125 HD21 LEU 12 HD21 LEU 12 18.299 -4.506 -3.356
126 HD22 LEU 12 HD22 LEU 12 19.793 -4.118 -2.503
127 HD23 LEU 12 HD23 LEU 12 19.358 -3.234 -3.966
128 H ARG 13 HN ARG 13 19.468 0.352 0.745
129 HA ARG 13 HA ARG 13 21.317 2.158 -0.348
130 HB2 ARG 13 HB2 ARG 13 20.778 3.631 1.452
131 HB3 ARG 13 HB1 ARG 13 19.308 2.796 0.966
132 HG2 ARG 13 HG2 ARG 13 19.100 2.395 3.199
133 HG3 ARG 13 HG1 ARG 13 20.241 1.092 2.879
134 HD2 ARG 13 HD2 ARG 13 20.985 2.501 4.769
135 HD3 ARG 13 HD1 ARG 13 22.121 2.565 3.435
136 HE ARG 13 HE ARG 13 20.224 4.677 3.203
137 HH11 ARG 13 HH11 ARG 13 20.923 6.768 3.680
138 HH12 ARG 13 HH12 ARG 13 22.340 7.014 4.649
139 HH21 ARG 13 HH21 ARG 13 22.997 3.629 5.026
140 HH22 ARG 13 HH22 ARG 13 23.513 5.235 5.416
141 H LEU 14 HN LEU 14 21.652 0.123 2.582
142 HA LEU 14 HA LEU 14 24.192 1.267 3.210
143 HB2 LEU 14 HB2 LEU 14 24.405 -0.665 4.781
144 HB3 LEU 14 HB1 LEU 14 22.930 0.277 4.986
145 HG LEU 14 HG LEU 14 22.401 -1.752 3.044
146 HD11 LEU 14 HD11 LEU 14 22.883 -3.776 4.267
147 HD12 LEU 14 HD12 LEU 14 23.502 -2.858 5.638
148 HD13 LEU 14 HD13 LEU 14 24.391 -2.875 4.115
149 HD21 LEU 14 HD21 LEU 14 20.595 -2.221 4.462
150 HD22 LEU 14 HD22 LEU 14 20.954 -0.539 4.844
151 HD23 LEU 14 HD23 LEU 14 21.507 -1.830 5.912
152 H LYS 15 HN LYS 15 23.185 -1.233 1.058
153 HA LYS 15 HA LYS 15 25.623 -2.682 0.947
154 HB2 LYS 15 HB2 LYS 15 23.178 -2.477 -0.711
155 HB3 LYS 15 HB1 LYS 15 24.630 -3.012 -1.551
156 HG2 LYS 15 HG2 LYS 15 23.314 -4.908 -0.573
157 HG3 LYS 15 HG1 LYS 15 24.957 -4.813 0.060
158 HD2 LYS 15 HD2 LYS 15 24.070 -3.556 2.036
159 HD3 LYS 15 HD1 LYS 15 22.442 -3.798 1.404
160 HE2 LYS 15 HE2 LYS 15 23.139 -5.483 3.144
161 HE3 LYS 15 HE1 LYS 15 22.633 -6.193 1.615
162 HZ1 LYS 15 HZ1 LYS 15 24.925 -6.782 2.851
163 HZ2 LYS 15 HZ2 LYS 15 25.454 -5.534 1.826
164 HZ3 LYS 15 HZ3 LYS 15 24.708 -6.912 1.176
165 H ILE 16 HN ILE 16 24.442 0.137 -0.874
166 HA ILE 16 HA ILE 16 26.986 0.254 -2.276
167 HB ILE 16 HB ILE 16 25.864 1.301 -3.897
168 HG12 ILE 16 HG12 ILE 16 25.852 3.417 -2.486
169 HG13 ILE 16 HG11 ILE 16 24.537 3.284 -3.649
170 HG21 ILE 16 HG21 ILE 16 23.536 0.827 -4.046
171 HG22 ILE 16 HG22 ILE 16 23.360 0.815 -2.294
172 HG23 ILE 16 HG23 ILE 16 24.251 -0.477 -3.099
173 HD11 ILE 16 HD11 ILE 16 24.348 3.586 -0.818
174 HD12 ILE 16 HD12 ILE 16 23.699 2.003 -1.240
175 HD13 ILE 16 HD13 ILE 16 23.040 3.454 -1.991
176 H ALA 17 HN ALA 17 25.471 1.550 0.488
177 HA ALA 17 HA ALA 17 27.317 3.846 0.595
178 HB1 ALA 17 HB1 ALA 17 25.913 4.582 2.514
179 HB2 ALA 17 HB2 ALA 17 24.889 3.173 2.267
180 HB3 ALA 17 HB3 ALA 17 24.993 4.414 1.020
181 H PHE 18 HN PHE 18 27.734 0.795 1.245
182 HA PHE 18 HA PHE 18 28.431 0.788 4.042
183 HB2 PHE 18 HB2 PHE 18 27.976 -1.194 2.216
184 HB3 PHE 18 HB1 PHE 18 29.736 -1.173 2.250
185 HD1 PHE 18 HD1 PHE 18 26.954 -0.809 4.770
186 HD2 PHE 18 HD2 PHE 18 30.688 -2.656 3.727
187 HE1 PHE 18 HE1 PHE 18 26.957 -2.030 6.936
188 HE2 PHE 18 HE2 PHE 18 30.686 -3.878 5.877
189 HZ PHE 18 HZ PHE 18 28.828 -3.566 7.490
190 H LYS 19 HN LYS 19 29.594 2.586 1.761
191 HA LYS 19 HA LYS 19 32.437 2.267 2.470
192 HB2 LYS 19 HB2 LYS 19 32.438 3.791 0.204
193 HB3 LYS 19 HB1 LYS 19 32.623 2.040 0.233
194 HG2 LYS 19 HG2 LYS 19 29.900 3.329 0.111
195 HG3 LYS 19 HG1 LYS 19 30.829 2.987 -1.346
196 HD2 LYS 19 HD2 LYS 19 30.807 0.685 0.442
197 HD3 LYS 19 HD1 LYS 19 29.166 1.185 0.032
198 HE2 LYS 19 HE2 LYS 19 31.395 0.617 -1.942
199 HE3 LYS 19 HE1 LYS 19 30.026 -0.443 -1.602
200 HZ1 LYS 19 HZ1 LYS 19 28.976 0.655 -3.215
201 HZ2 LYS 19 HZ2 LYS 19 30.163 1.865 -3.277
202 HZ3 LYS 19 HZ3 LYS 19 28.888 1.984 -2.157
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 2.936 1.130 -4.545
2 H3 PRO 1 HT2 PRO 1 1.484 1.953 -4.222
3 HA PRO 1 HA PRO 1 2.487 2.916 -2.514
4 HB2 PRO 1 HB2 PRO 1 3.160 0.573 -0.945
5 HB3 PRO 1 HB1 PRO 1 1.838 1.731 -0.697
6 HG2 PRO 1 HG2 PRO 1 1.513 -0.880 -1.502
7 HG3 PRO 1 HG1 PRO 1 0.338 0.417 -1.747
8 HD2 PRO 1 HD2 PRO 1 2.209 -0.822 -3.711
9 HD3 PRO 1 HD1 PRO 1 0.611 -0.096 -3.980
10 H MET 2 HN MET 2 4.397 3.705 -3.406
11 HA MET 2 HA MET 2 6.694 2.144 -3.950
12 HB2 MET 2 HB2 MET 2 7.857 4.467 -3.695
13 HB3 MET 2 HB1 MET 2 6.714 4.219 -5.014
14 HG2 MET 2 HG2 MET 2 5.659 5.205 -2.391
15 HG3 MET 2 HG1 MET 2 6.514 6.343 -3.433
16 HE1 MET 2 HE1 MET 2 2.763 5.323 -2.788
17 HE2 MET 2 HE2 MET 2 2.684 6.908 -3.550
18 HE3 MET 2 HE3 MET 2 3.919 6.580 -2.336
19 H ALA 3 HN ALA 3 5.291 3.126 -1.048
20 HA ALA 3 HA ALA 3 7.448 3.596 0.647
21 HB1 ALA 3 HB1 ALA 3 5.057 3.879 1.258
22 HB2 ALA 3 HB2 ALA 3 5.962 2.957 2.458
23 HB3 ALA 3 HB3 ALA 3 4.895 2.126 1.325
24 H ARG 4 HN ARG 4 6.111 0.556 -0.541
25 HA ARG 4 HA ARG 4 7.368 -1.216 1.215
26 HB2 ARG 4 HB2 ARG 4 7.160 -2.896 -0.560
27 HB3 ARG 4 HB1 ARG 4 5.694 -1.923 -0.451
28 HG2 ARG 4 HG2 ARG 4 6.750 -0.442 -2.282
29 HG3 ARG 4 HG1 ARG 4 7.877 -1.777 -2.527
30 HD2 ARG 4 HD2 ARG 4 5.789 -3.278 -2.713
31 HD3 ARG 4 HD1 ARG 4 4.875 -1.780 -2.889
32 HE ARG 4 HE ARG 4 6.568 -1.344 -4.809
33 HH11 ARG 4 HH11 ARG 4 6.858 -2.301 -6.823
34 HH12 ARG 4 HH12 ARG 4 6.411 -3.953 -7.083
35 HH21 ARG 4 HH21 ARG 4 5.272 -4.429 -3.846
36 HH22 ARG 4 HH22 ARG 4 5.517 -5.161 -5.396
37 H ASN 5 HN ASN 5 8.604 0.364 -1.697
38 HA ASN 5 HA ASN 5 11.063 -1.022 -1.853
39 HB2 ASN 5 HB2 ASN 5 10.611 0.216 -3.770
40 HB3 ASN 5 HB1 ASN 5 10.079 1.627 -2.859
41 HD21 ASN 5 HD21 ASN 5 13.111 -0.329 -3.173
42 HD22 ASN 5 HD22 ASN 5 14.133 1.026 -3.222
43 H LYS 6 HN LYS 6 10.092 1.923 -0.147
44 HA LYS 6 HA LYS 6 12.606 2.686 0.824
45 HB2 LYS 6 HB2 LYS 6 9.797 3.103 1.791
46 HB3 LYS 6 HB1 LYS 6 11.155 3.601 2.800
47 HG2 LYS 6 HG2 LYS 6 10.692 5.521 1.494
48 HG3 LYS 6 HG1 LYS 6 12.066 4.769 0.680
49 HD2 LYS 6 HD2 LYS 6 10.694 3.861 -1.035
50 HD3 LYS 6 HD1 LYS 6 9.216 4.159 -0.118
51 HE2 LYS 6 HE2 LYS 6 9.365 5.868 -1.821
52 HE3 LYS 6 HE1 LYS 6 9.710 6.627 -0.267
53 HZ1 LYS 6 HZ1 LYS 6 12.149 5.856 -0.991
54 HZ2 LYS 6 HZ2 LYS 6 11.509 7.380 -1.363
55 HZ3 LYS 6 HZ3 LYS 6 11.474 6.129 -2.519
56 H LYS 7 HN LYS 7 10.299 0.292 1.983
57 HA LYS 7 HA LYS 7 11.598 -0.224 4.467
58 HB2 LYS 7 HB2 LYS 7 9.956 -2.234 2.930
59 HB3 LYS 7 HB1 LYS 7 10.161 -2.097 4.672
60 HG2 LYS 7 HG2 LYS 7 8.575 -0.297 2.836
61 HG3 LYS 7 HG1 LYS 7 7.997 -1.214 4.222
62 HD2 LYS 7 HD2 LYS 7 9.986 1.071 4.427
63 HD3 LYS 7 HD1 LYS 7 8.249 1.256 4.654
64 HE2 LYS 7 HE2 LYS 7 8.341 -0.452 6.478
65 HE3 LYS 7 HE1 LYS 7 10.093 -0.511 6.291
66 HZ1 LYS 7 HZ1 LYS 7 8.427 1.748 7.200
67 HZ2 LYS 7 HZ2 LYS 7 10.013 1.987 6.643
68 HZ3 LYS 7 HZ3 LYS 7 9.722 1.005 8.000
69 H LEU 8 HN LEU 8 11.874 -1.602 1.217
70 HA LEU 8 HA LEU 8 13.785 -3.614 2.043
71 HB2 LEU 8 HB2 LEU 8 12.926 -2.620 -0.683
72 HB3 LEU 8 HB1 LEU 8 14.071 -3.938 -0.432
73 HG LEU 8 HG LEU 8 11.730 -4.373 1.203
74 HD11 LEU 8 HD11 LEU 8 10.794 -4.721 -1.534
75 HD12 LEU 8 HD12 LEU 8 11.071 -3.022 -1.154
76 HD13 LEU 8 HD13 LEU 8 9.979 -3.980 -0.158
77 HD21 LEU 8 HD21 LEU 8 11.685 -6.490 -0.135
78 HD22 LEU 8 HD22 LEU 8 13.273 -6.129 0.538
79 HD23 LEU 8 HD23 LEU 8 12.949 -5.822 -1.167
80 H LEU 9 HN LEU 9 13.842 -0.323 1.029
81 HA LEU 9 HA LEU 9 16.388 -0.061 -0.068
82 HB2 LEU 9 HB2 LEU 9 14.410 1.674 0.370
83 HB3 LEU 9 HB1 LEU 9 15.407 2.078 1.768
84 HG LEU 9 HG LEU 9 17.371 2.266 0.164
85 HD11 LEU 9 HD11 LEU 9 15.642 1.101 -1.636
86 HD12 LEU 9 HD12 LEU 9 17.103 1.981 -2.075
87 HD13 LEU 9 HD13 LEU 9 15.544 2.803 -2.093
88 HD21 LEU 9 HD21 LEU 9 14.978 4.105 0.068
89 HD22 LEU 9 HD22 LEU 9 16.478 4.494 -0.774
90 HD23 LEU 9 HD23 LEU 9 16.479 4.293 0.976
91 H LYS 10 HN LYS 10 15.464 -0.644 3.239
92 HA LYS 10 HA LYS 10 17.725 0.373 4.560
93 HB2 LYS 10 HB2 LYS 10 16.296 -2.173 5.328
94 HB3 LYS 10 HB1 LYS 10 17.105 -1.014 6.383
95 HG2 LYS 10 HG2 LYS 10 15.409 0.620 6.063
96 HG3 LYS 10 HG1 LYS 10 14.722 -0.247 4.687
97 HD2 LYS 10 HD2 LYS 10 13.407 -0.548 6.803
98 HD3 LYS 10 HD1 LYS 10 13.989 -2.059 6.110
99 HE2 LYS 10 HE2 LYS 10 14.373 -1.983 8.553
100 HE3 LYS 10 HE1 LYS 10 15.891 -2.069 7.662
101 HZ1 LYS 10 HZ1 LYS 10 16.511 -0.096 8.427
102 HZ2 LYS 10 HZ2 LYS 10 15.223 -0.193 9.524
103 HZ3 LYS 10 HZ3 LYS 10 15.024 0.621 8.049
104 H LYS 11 HN LYS 11 17.148 -2.651 2.855
105 HA LYS 11 HA LYS 11 19.656 -3.827 3.593
106 HB2 LYS 11 HB2 LYS 11 17.514 -4.552 1.591
107 HB3 LYS 11 HB1 LYS 11 19.018 -5.463 1.731
108 HG2 LYS 11 HG2 LYS 11 17.172 -6.449 3.086
109 HG3 LYS 11 HG1 LYS 11 18.553 -5.965 4.066
110 HD2 LYS 11 HD2 LYS 11 17.445 -4.114 4.965
111 HD3 LYS 11 HD1 LYS 11 16.295 -4.025 3.627
112 HE2 LYS 11 HE2 LYS 11 16.379 -6.139 5.800
113 HE3 LYS 11 HE1 LYS 11 15.160 -4.877 5.600
114 HZ1 LYS 11 HZ1 LYS 11 14.798 -5.873 3.312
115 HZ2 LYS 11 HZ2 LYS 11 14.239 -6.777 4.631
116 HZ3 LYS 11 HZ3 LYS 11 15.684 -7.209 3.855
117 H LEU 12 HN LEU 12 18.305 -2.137 0.831
118 HA LEU 12 HA LEU 12 20.611 -2.434 -0.836
119 HB2 LEU 12 HB2 LEU 12 18.454 -0.330 -1.068
120 HB3 LEU 12 HB1 LEU 12 19.497 -0.952 -2.349
121 HG LEU 12 HG LEU 12 17.396 -2.540 -0.836
122 HD11 LEU 12 HD11 LEU 12 16.093 -1.455 -2.365
123 HD12 LEU 12 HD12 LEU 12 16.727 -2.688 -3.456
124 HD13 LEU 12 HD13 LEU 12 17.453 -1.081 -3.422
125 HD21 LEU 12 HD21 LEU 12 19.561 -3.301 -2.769
126 HD22 LEU 12 HD22 LEU 12 18.016 -4.146 -2.853
127 HD23 LEU 12 HD23 LEU 12 18.954 -4.179 -1.362
128 H ARG 13 HN ARG 13 19.635 -0.148 1.639
129 HA ARG 13 HA ARG 13 21.186 2.042 0.846
130 HB2 ARG 13 HB2 ARG 13 20.820 2.948 2.976
131 HB3 ARG 13 HB1 ARG 13 19.434 1.888 2.750
132 HG2 ARG 13 HG2 ARG 13 20.022 1.105 4.805
133 HG3 ARG 13 HG1 ARG 13 21.204 0.161 3.914
134 HD2 ARG 13 HD2 ARG 13 22.575 1.204 5.491
135 HD3 ARG 13 HD1 ARG 13 22.682 2.335 4.142
136 HE ARG 13 HE ARG 13 20.555 2.850 6.077
137 HH11 ARG 13 HH11 ARG 13 20.681 4.859 7.105
138 HH12 ARG 13 HH12 ARG 13 22.124 5.812 6.989
139 HH21 ARG 13 HH21 ARG 13 23.832 3.481 5.069
140 HH22 ARG 13 HH22 ARG 13 23.898 5.033 5.832
141 H LEU 14 HN LEU 14 22.095 -0.797 2.799
142 HA LEU 14 HA LEU 14 24.701 0.132 3.414
143 HB2 LEU 14 HB2 LEU 14 23.903 -2.759 3.053
144 HB3 LEU 14 HB1 LEU 14 25.189 -2.115 4.072
145 HG LEU 14 HG LEU 14 22.731 -0.830 4.802
146 HD11 LEU 14 HD11 LEU 14 22.623 -3.831 4.479
147 HD12 LEU 14 HD12 LEU 14 21.453 -2.628 3.939
148 HD13 LEU 14 HD13 LEU 14 21.620 -2.984 5.655
149 HD21 LEU 14 HD21 LEU 14 24.308 -2.967 6.264
150 HD22 LEU 14 HD22 LEU 14 23.280 -1.727 6.982
151 HD23 LEU 14 HD23 LEU 14 24.789 -1.269 6.194
152 H LYS 15 HN LYS 15 23.262 -1.012 0.532
153 HA LYS 15 HA LYS 15 25.782 -1.852 -0.671
154 HB2 LYS 15 HB2 LYS 15 23.126 -1.518 -2.058
155 HB3 LYS 15 HB1 LYS 15 24.491 -2.512 -2.557
156 HG2 LYS 15 HG2 LYS 15 22.981 -2.974 0.038
157 HG3 LYS 15 HG1 LYS 15 22.576 -3.793 -1.470
158 HD2 LYS 15 HD2 LYS 15 24.136 -5.331 -0.971
159 HD3 LYS 15 HD1 LYS 15 25.362 -4.086 -1.215
160 HE2 LYS 15 HE2 LYS 15 25.322 -3.479 1.110
161 HE3 LYS 15 HE1 LYS 15 23.910 -4.496 1.412
162 HZ1 LYS 15 HZ1 LYS 15 25.661 -6.229 0.325
163 HZ2 LYS 15 HZ2 LYS 15 25.421 -6.014 1.989
164 HZ3 LYS 15 HZ3 LYS 15 26.698 -5.215 1.203
165 H ILE 16 HN ILE 16 23.472 0.841 -1.030
166 HA ILE 16 HA ILE 16 25.245 2.081 -2.983
167 HB ILE 16 HB ILE 16 23.360 2.901 -3.849
168 HG12 ILE 16 HG12 ILE 16 23.613 4.780 -2.172
169 HG13 ILE 16 HG11 ILE 16 21.968 4.507 -2.734
170 HG21 ILE 16 HG21 ILE 16 22.451 0.744 -2.855
171 HG22 ILE 16 HG22 ILE 16 21.257 1.985 -3.231
172 HG23 ILE 16 HG23 ILE 16 21.773 1.738 -1.567
173 HD11 ILE 16 HD11 ILE 16 22.812 4.569 -0.071
174 HD12 ILE 16 HD12 ILE 16 22.563 2.857 -0.415
175 HD13 ILE 16 HD13 ILE 16 21.250 4.005 -0.664
176 H ALA 17 HN ALA 17 24.443 2.229 0.344
177 HA ALA 17 HA ALA 17 25.749 4.855 0.641
178 HB1 ALA 17 HB1 ALA 17 23.442 4.094 1.761
179 HB2 ALA 17 HB2 ALA 17 24.568 5.169 2.585
180 HB3 ALA 17 HB3 ALA 17 24.546 3.452 2.977
181 H PHE 18 HN PHE 18 26.939 2.016 0.229
182 HA PHE 18 HA PHE 18 28.283 1.311 2.615
183 HB2 PHE 18 HB2 PHE 18 27.977 -0.029 0.396
184 HB3 PHE 18 HB1 PHE 18 29.411 0.847 -0.135
185 HD1 PHE 18 HD1 PHE 18 28.146 -1.862 1.931
186 HD2 PHE 18 HD2 PHE 18 31.539 0.679 1.234
187 HE1 PHE 18 HE1 PHE 18 29.574 -3.425 3.210
188 HE2 PHE 18 HE2 PHE 18 32.969 -0.890 2.522
189 HZ PHE 18 HZ PHE 18 31.980 -2.945 3.511
190 H LYS 19 HN LYS 19 28.633 3.827 0.363
191 HA LYS 19 HA LYS 19 31.102 4.697 1.668
192 HB2 LYS 19 HB2 LYS 19 31.942 5.371 -0.642
193 HB3 LYS 19 HB1 LYS 19 31.931 3.649 -0.267
194 HG2 LYS 19 HG2 LYS 19 31.055 3.876 -2.476
195 HG3 LYS 19 HG1 LYS 19 29.715 3.470 -1.416
196 HD2 LYS 19 HD2 LYS 19 30.028 6.334 -1.516
197 HD3 LYS 19 HD1 LYS 19 29.918 5.686 -3.147
198 HE2 LYS 19 HE2 LYS 19 28.006 4.672 -1.072
199 HE3 LYS 19 HE1 LYS 19 27.717 6.255 -1.793
200 HZ1 LYS 19 HZ1 LYS 19 28.193 3.805 -3.394
201 HZ2 LYS 19 HZ2 LYS 19 27.621 5.312 -3.944
202 HZ3 LYS 19 HZ3 LYS 19 26.645 4.343 -2.952
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 2.569 2.674 -3.477
2 H3 PRO 1 HT2 PRO 1 1.609 4.025 -3.103
3 HA PRO 1 HA PRO 1 2.629 4.325 -1.179
4 HB2 PRO 1 HB2 PRO 1 2.666 1.480 -0.334
5 HB3 PRO 1 HB1 PRO 1 2.023 2.905 0.506
6 HG2 PRO 1 HG2 PRO 1 0.427 1.093 -0.672
7 HG3 PRO 1 HG1 PRO 1 0.017 2.811 -0.579
8 HD2 PRO 1 HD2 PRO 1 0.962 1.231 -2.935
9 HD3 PRO 1 HD1 PRO 1 -0.111 2.644 -2.886
10 H MET 2 HN MET 2 4.580 4.831 -2.243
11 HA MET 2 HA MET 2 6.507 3.011 -3.142
12 HB2 MET 2 HB2 MET 2 8.063 5.078 -2.318
13 HB3 MET 2 HB1 MET 2 7.155 5.081 -3.829
14 HG2 MET 2 HG2 MET 2 5.831 6.018 -1.294
15 HG3 MET 2 HG1 MET 2 6.903 7.105 -2.177
16 HE1 MET 2 HE1 MET 2 4.185 7.408 -1.322
17 HE2 MET 2 HE2 MET 2 2.933 6.481 -2.139
18 HE3 MET 2 HE3 MET 2 3.276 8.128 -2.654
19 H ALA 3 HN ALA 3 5.451 3.660 0.011
20 HA ALA 3 HA ALA 3 7.736 3.377 1.570
21 HB1 ALA 3 HB1 ALA 3 6.189 2.467 3.309
22 HB2 ALA 3 HB2 ALA 3 4.919 2.391 2.087
23 HB3 ALA 3 HB3 ALA 3 5.597 3.949 2.560
24 H ARG 4 HN ARG 4 5.951 0.994 -0.266
25 HA ARG 4 HA ARG 4 6.850 -1.365 0.969
26 HB2 ARG 4 HB2 ARG 4 6.374 -2.459 -1.185
27 HB3 ARG 4 HB1 ARG 4 5.088 -1.326 -0.765
28 HG2 ARG 4 HG2 ARG 4 6.420 0.397 -2.158
29 HG3 ARG 4 HG1 ARG 4 7.292 -0.998 -2.796
30 HD2 ARG 4 HD2 ARG 4 5.349 -1.919 -3.762
31 HD3 ARG 4 HD1 ARG 4 4.279 -0.904 -2.793
32 HE ARG 4 HE ARG 4 6.042 0.584 -4.551
33 HH11 ARG 4 HH11 ARG 4 4.976 1.809 -6.155
34 HH12 ARG 4 HH12 ARG 4 3.316 1.473 -6.522
35 HH21 ARG 4 HH21 ARG 4 3.054 -1.113 -4.235
36 HH22 ARG 4 HH22 ARG 4 2.225 -0.180 -5.433
37 H ASN 5 HN ASN 5 8.356 0.789 -1.343
38 HA ASN 5 HA ASN 5 10.583 -0.895 -1.941
39 HB2 ASN 5 HB2 ASN 5 9.602 1.634 -2.816
40 HB3 ASN 5 HB1 ASN 5 11.280 1.838 -2.319
41 HD21 ASN 5 HD21 ASN 5 12.286 1.880 -4.401
42 HD22 ASN 5 HD22 ASN 5 12.195 0.589 -5.501
43 H LYS 6 HN LYS 6 9.919 1.551 0.482
44 HA LYS 6 HA LYS 6 12.492 2.109 1.388
45 HB2 LYS 6 HB2 LYS 6 9.776 2.359 2.435
46 HB3 LYS 6 HB1 LYS 6 10.959 2.057 3.704
47 HG2 LYS 6 HG2 LYS 6 10.795 4.459 3.377
48 HG3 LYS 6 HG1 LYS 6 12.360 3.920 2.766
49 HD2 LYS 6 HD2 LYS 6 11.591 3.981 0.495
50 HD3 LYS 6 HD1 LYS 6 9.920 4.242 0.998
51 HE2 LYS 6 HE2 LYS 6 11.446 6.278 0.219
52 HE3 LYS 6 HE1 LYS 6 10.288 6.470 1.535
53 HZ1 LYS 6 HZ1 LYS 6 13.058 5.603 2.079
54 HZ2 LYS 6 HZ2 LYS 6 11.946 6.343 3.125
55 HZ3 LYS 6 HZ3 LYS 6 12.688 7.245 1.895
56 H LYS 7 HN LYS 7 10.464 -0.692 1.958
57 HA LYS 7 HA LYS 7 11.855 -1.829 4.135
58 HB2 LYS 7 HB2 LYS 7 10.240 -3.019 1.875
59 HB3 LYS 7 HB1 LYS 7 11.005 -4.032 3.092
60 HG2 LYS 7 HG2 LYS 7 8.594 -3.418 3.573
61 HG3 LYS 7 HG1 LYS 7 9.719 -3.037 4.863
62 HD2 LYS 7 HD2 LYS 7 9.728 -0.726 4.329
63 HD3 LYS 7 HD1 LYS 7 8.940 -1.009 2.777
64 HE2 LYS 7 HE2 LYS 7 7.536 -0.189 4.867
65 HE3 LYS 7 HE1 LYS 7 6.871 -1.354 3.730
66 HZ1 LYS 7 HZ1 LYS 7 6.649 -1.958 6.127
67 HZ2 LYS 7 HZ2 LYS 7 8.331 -2.162 6.168
68 HZ3 LYS 7 HZ3 LYS 7 7.378 -3.135 5.153
69 H LEU 8 HN LEU 8 12.332 -2.042 0.633
70 HA LEU 8 HA LEU 8 14.660 -3.764 0.912
71 HB2 LEU 8 HB2 LEU 8 13.692 -2.387 -1.604
72 HB3 LEU 8 HB1 LEU 8 14.706 -3.825 -1.475
73 HG LEU 8 HG LEU 8 12.462 -4.556 -0.028
74 HD11 LEU 8 HD11 LEU 8 10.579 -4.025 -1.627
75 HD12 LEU 8 HD12 LEU 8 11.639 -2.845 -2.394
76 HD13 LEU 8 HD13 LEU 8 11.162 -2.637 -0.709
77 HD21 LEU 8 HD21 LEU 8 13.780 -5.815 -1.783
78 HD22 LEU 8 HD22 LEU 8 12.838 -4.968 -3.010
79 HD23 LEU 8 HD23 LEU 8 12.037 -6.051 -1.870
80 H LEU 9 HN LEU 9 13.912 -0.423 -0.018
81 HA LEU 9 HA LEU 9 16.458 0.413 -0.775
82 HB2 LEU 9 HB2 LEU 9 13.978 1.714 0.120
83 HB3 LEU 9 HB1 LEU 9 15.438 2.636 0.483
84 HG LEU 9 HG LEU 9 14.876 1.460 -2.253
85 HD11 LEU 9 HD11 LEU 9 14.078 4.104 -1.047
86 HD12 LEU 9 HD12 LEU 9 13.115 2.996 -2.029
87 HD13 LEU 9 HD13 LEU 9 14.392 3.956 -2.778
88 HD21 LEU 9 HD21 LEU 9 17.204 1.981 -1.902
89 HD22 LEU 9 HD22 LEU 9 16.802 3.534 -1.169
90 HD23 LEU 9 HD23 LEU 9 16.524 3.272 -2.890
91 H LYS 10 HN LYS 10 15.010 0.283 2.476
92 HA LYS 10 HA LYS 10 17.095 1.550 3.870
93 HB2 LYS 10 HB2 LYS 10 15.095 -0.564 4.659
94 HB3 LYS 10 HB1 LYS 10 16.276 0.074 5.804
95 HG2 LYS 10 HG2 LYS 10 15.123 2.312 4.483
96 HG3 LYS 10 HG1 LYS 10 13.792 1.251 4.944
97 HD2 LYS 10 HD2 LYS 10 15.991 1.882 6.900
98 HD3 LYS 10 HD1 LYS 10 14.637 2.991 6.679
99 HE2 LYS 10 HE2 LYS 10 13.198 0.782 6.951
100 HE3 LYS 10 HE1 LYS 10 14.647 0.200 7.776
101 HZ1 LYS 10 HZ1 LYS 10 14.509 2.396 9.041
102 HZ2 LYS 10 HZ2 LYS 10 13.417 1.179 9.456
103 HZ3 LYS 10 HZ3 LYS 10 12.912 2.482 8.486
104 H LYS 11 HN LYS 11 16.770 -1.702 2.621
105 HA LYS 11 HA LYS 11 19.144 -2.613 4.006
106 HB2 LYS 11 HB2 LYS 11 17.121 -3.951 2.216
107 HB3 LYS 11 HB1 LYS 11 18.631 -4.749 2.653
108 HG2 LYS 11 HG2 LYS 11 16.651 -5.276 4.165
109 HG3 LYS 11 HG1 LYS 11 18.094 -4.692 4.991
110 HD2 LYS 11 HD2 LYS 11 17.153 -2.623 5.480
111 HD3 LYS 11 HD1 LYS 11 16.042 -2.687 4.111
112 HE2 LYS 11 HE2 LYS 11 15.814 -4.481 6.541
113 HE3 LYS 11 HE1 LYS 11 14.914 -2.975 6.326
114 HZ1 LYS 11 HZ1 LYS 11 13.543 -4.733 5.569
115 HZ2 LYS 11 HZ2 LYS 11 14.786 -5.412 4.642
116 HZ3 LYS 11 HZ3 LYS 11 14.098 -3.919 4.184
117 H LEU 12 HN LEU 12 18.062 -1.783 0.766
118 HA LEU 12 HA LEU 12 20.455 -2.608 -0.560
119 HB2 LEU 12 HB2 LEU 12 18.240 -0.723 -1.373
120 HB3 LEU 12 HB1 LEU 12 19.549 -1.223 -2.444
121 HG LEU 12 HG LEU 12 17.836 -3.258 -1.007
122 HD11 LEU 12 HD11 LEU 12 16.293 -1.839 -2.282
123 HD12 LEU 12 HD12 LEU 12 16.479 -3.398 -3.086
124 HD13 LEU 12 HD13 LEU 12 17.322 -1.979 -3.706
125 HD21 LEU 12 HD21 LEU 12 20.022 -3.276 -2.929
126 HD22 LEU 12 HD22 LEU 12 18.608 -4.123 -3.558
127 HD23 LEU 12 HD23 LEU 12 19.325 -4.618 -2.021
128 H ARG 13 HN ARG 13 19.461 0.338 1.061
129 HA ARG 13 HA ARG 13 21.304 2.083 -0.134
130 HB2 ARG 13 HB2 ARG 13 20.899 3.576 1.687
131 HB3 ARG 13 HB1 ARG 13 19.381 2.780 1.285
132 HG2 ARG 13 HG2 ARG 13 19.249 2.332 3.504
133 HG3 ARG 13 HG1 ARG 13 20.440 1.076 3.182
134 HD2 ARG 13 HD2 ARG 13 21.296 2.397 4.980
135 HD3 ARG 13 HD1 ARG 13 22.241 2.814 3.559
136 HE ARG 13 HE ARG 13 20.338 4.703 3.475
137 HH11 ARG 13 HH11 ARG 13 20.364 6.664 4.640
138 HH12 ARG 13 HH12 ARG 13 21.195 6.760 6.156
139 HH21 ARG 13 HH21 ARG 13 22.221 3.437 6.099
140 HH22 ARG 13 HH22 ARG 13 22.250 4.924 6.987
141 H LEU 14 HN LEU 14 21.675 -0.030 2.719
142 HA LEU 14 HA LEU 14 24.235 0.938 3.430
143 HB2 LEU 14 HB2 LEU 14 23.397 -1.932 3.820
144 HB3 LEU 14 HB1 LEU 14 24.465 -0.956 4.822
145 HG LEU 14 HG LEU 14 22.053 0.466 4.754
146 HD11 LEU 14 HD11 LEU 14 20.548 -1.390 5.702
147 HD12 LEU 14 HD12 LEU 14 21.654 -2.518 4.918
148 HD13 LEU 14 HD13 LEU 14 20.760 -1.340 3.953
149 HD21 LEU 14 HD21 LEU 14 21.918 -0.537 7.158
150 HD22 LEU 14 HD22 LEU 14 23.306 0.466 6.740
151 HD23 LEU 14 HD23 LEU 14 23.461 -1.290 6.755
152 H LYS 15 HN LYS 15 23.179 -0.939 0.779
153 HA LYS 15 HA LYS 15 25.699 -2.291 0.364
154 HB2 LYS 15 HB2 LYS 15 23.522 -1.937 -1.696
155 HB3 LYS 15 HB1 LYS 15 24.719 -3.230 -1.578
156 HG2 LYS 15 HG2 LYS 15 22.582 -2.720 0.521
157 HG3 LYS 15 HG1 LYS 15 22.395 -3.869 -0.799
158 HD2 LYS 15 HD2 LYS 15 23.658 -5.424 0.253
159 HD3 LYS 15 HD1 LYS 15 24.937 -4.254 0.574
160 HE2 LYS 15 HE2 LYS 15 24.028 -5.097 2.694
161 HE3 LYS 15 HE1 LYS 15 23.636 -3.391 2.512
162 HZ1 LYS 15 HZ1 LYS 15 21.793 -4.989 3.217
163 HZ2 LYS 15 HZ2 LYS 15 21.770 -5.481 1.593
164 HZ3 LYS 15 HZ3 LYS 15 21.436 -3.862 1.998
165 H ILE 16 HN ILE 16 24.036 0.546 -0.987
166 HA ILE 16 HA ILE 16 26.298 1.084 -2.727
167 HB ILE 16 HB ILE 16 24.791 2.131 -3.990
168 HG12 ILE 16 HG12 ILE 16 25.189 4.137 -2.453
169 HG13 ILE 16 HG11 ILE 16 23.685 4.134 -3.363
170 HG21 ILE 16 HG21 ILE 16 22.740 1.514 -1.855
171 HG22 ILE 16 HG22 ILE 16 23.301 0.369 -3.076
172 HG23 ILE 16 HG23 ILE 16 22.434 1.824 -3.562
173 HD11 ILE 16 HD11 ILE 16 24.038 4.215 -0.514
174 HD12 ILE 16 HD12 ILE 16 23.171 2.743 -0.941
175 HD13 ILE 16 HD13 ILE 16 22.540 4.310 -1.437
176 H ALA 17 HN ALA 17 24.948 2.078 0.297
177 HA ALA 17 HA ALA 17 26.587 4.464 0.529
178 HB1 ALA 17 HB1 ALA 17 24.388 4.341 1.653
179 HB2 ALA 17 HB2 ALA 17 25.691 4.595 2.815
180 HB3 ALA 17 HB3 ALA 17 24.972 2.995 2.633
181 H PHE 18 HN PHE 18 27.548 1.493 0.286
182 HA PHE 18 HA PHE 18 29.123 1.112 2.685
183 HB2 PHE 18 HB2 PHE 18 28.266 -0.512 0.530
184 HB3 PHE 18 HB1 PHE 18 30.023 -0.464 0.440
185 HD1 PHE 18 HD1 PHE 18 27.485 -2.394 1.684
186 HD2 PHE 18 HD2 PHE 18 31.042 -0.412 3.039
187 HE1 PHE 18 HE1 PHE 18 27.660 -4.003 3.569
188 HE2 PHE 18 HE2 PHE 18 31.218 -2.011 4.921
189 HZ PHE 18 HZ PHE 18 29.530 -3.809 5.188
190 H LYS 19 HN LYS 19 29.414 2.905 -0.160
191 HA LYS 19 HA LYS 19 32.274 3.354 0.366
192 HB2 LYS 19 HB2 LYS 19 32.678 3.407 -2.093
193 HB3 LYS 19 HB1 LYS 19 32.217 1.812 -1.502
194 HG2 LYS 19 HG2 LYS 19 30.033 3.641 -2.409
195 HG3 LYS 19 HG1 LYS 19 31.046 2.898 -3.644
196 HD2 LYS 19 HD2 LYS 19 29.833 1.237 -1.432
197 HD3 LYS 19 HD1 LYS 19 28.915 1.612 -2.891
198 HE2 LYS 19 HE2 LYS 19 31.614 0.231 -2.785
199 HE3 LYS 19 HE1 LYS 19 30.067 -0.533 -3.155
200 HZ1 LYS 19 HZ1 LYS 19 30.296 0.071 -5.255
201 HZ2 LYS 19 HZ2 LYS 19 31.807 0.759 -4.906
202 HZ3 LYS 19 HZ3 LYS 19 30.399 1.702 -4.819
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 3.704 1.901 -5.065
2 H3 PRO 1 HT2 PRO 1 2.893 3.385 -4.828
3 HA PRO 1 HA PRO 1 2.691 3.107 -2.611
4 HB2 PRO 1 HB2 PRO 1 3.054 0.145 -2.649
5 HB3 PRO 1 HB1 PRO 1 1.923 1.141 -1.706
6 HG2 PRO 1 HG2 PRO 1 1.314 -0.241 -4.038
7 HG3 PRO 1 HG1 PRO 1 0.350 1.050 -3.305
8 HD2 PRO 1 HD2 PRO 1 1.741 1.142 -5.821
9 HD3 PRO 1 HD1 PRO 1 0.868 2.466 -5.025
10 H MET 2 HN MET 2 4.796 4.134 -3.071
11 HA MET 2 HA MET 2 7.241 2.827 -3.314
12 HB2 MET 2 HB2 MET 2 8.239 4.885 -2.442
13 HB3 MET 2 HB1 MET 2 6.947 5.253 -3.582
14 HG2 MET 2 HG2 MET 2 6.486 5.136 -0.593
15 HG3 MET 2 HG1 MET 2 6.947 6.618 -1.423
16 HE1 MET 2 HE1 MET 2 4.680 4.802 0.103
17 HE2 MET 2 HE2 MET 2 3.206 4.527 -0.813
18 HE3 MET 2 HE3 MET 2 3.444 6.067 0.004
19 H ALA 3 HN ALA 3 5.113 2.759 -0.675
20 HA ALA 3 HA ALA 3 6.775 2.760 1.548
21 HB1 ALA 3 HB1 ALA 3 5.042 1.038 2.442
22 HB2 ALA 3 HB2 ALA 3 4.210 1.332 0.913
23 HB3 ALA 3 HB3 ALA 3 4.489 2.664 2.036
24 H ARG 4 HN ARG 4 6.003 0.055 -0.651
25 HA ARG 4 HA ARG 4 7.393 -1.948 0.754
26 HB2 ARG 4 HB2 ARG 4 7.533 -3.114 -1.424
27 HB3 ARG 4 HB1 ARG 4 5.913 -2.491 -1.105
28 HG2 ARG 4 HG2 ARG 4 6.907 -0.352 -2.389
29 HG3 ARG 4 HG1 ARG 4 7.934 -1.589 -3.114
30 HD2 ARG 4 HD2 ARG 4 5.794 -2.906 -3.584
31 HD3 ARG 4 HD1 ARG 4 4.907 -1.451 -3.139
32 HE ARG 4 HE ARG 4 5.541 -0.496 -5.166
33 HH11 ARG 4 HH11 ARG 4 6.476 -0.610 -7.229
34 HH12 ARG 4 HH12 ARG 4 7.626 -1.850 -7.599
35 HH21 ARG 4 HH21 ARG 4 7.497 -3.288 -4.437
36 HH22 ARG 4 HH22 ARG 4 8.209 -3.368 -6.016
37 H ASN 5 HN ASN 5 8.483 0.413 -1.632
38 HA ASN 5 HA ASN 5 11.109 -0.553 -1.992
39 HB2 ASN 5 HB2 ASN 5 10.103 1.104 -3.488
40 HB3 ASN 5 HB1 ASN 5 10.064 2.281 -2.179
41 HD21 ASN 5 HD21 ASN 5 11.599 3.794 -3.044
42 HD22 ASN 5 HD22 ASN 5 13.219 3.389 -3.352
43 H LYS 6 HN LYS 6 9.699 1.644 0.368
44 HA LYS 6 HA LYS 6 12.044 2.594 1.572
45 HB2 LYS 6 HB2 LYS 6 9.272 2.100 2.660
46 HB3 LYS 6 HB1 LYS 6 10.554 2.802 3.644
47 HG2 LYS 6 HG2 LYS 6 10.290 4.054 0.993
48 HG3 LYS 6 HG1 LYS 6 8.858 4.232 2.002
49 HD2 LYS 6 HD2 LYS 6 11.455 4.702 3.360
50 HD3 LYS 6 HD1 LYS 6 10.986 5.893 2.147
51 HE2 LYS 6 HE2 LYS 6 8.803 5.077 3.964
52 HE3 LYS 6 HE1 LYS 6 10.126 5.944 4.746
53 HZ1 LYS 6 HZ1 LYS 6 9.888 7.731 3.204
54 HZ2 LYS 6 HZ2 LYS 6 8.353 7.405 3.847
55 HZ3 LYS 6 HZ3 LYS 6 8.751 6.874 2.285
56 H LYS 7 HN LYS 7 10.339 -0.431 1.929
57 HA LYS 7 HA LYS 7 11.790 -1.280 4.248
58 HB2 LYS 7 HB2 LYS 7 10.515 -3.205 2.331
59 HB3 LYS 7 HB1 LYS 7 10.588 -3.270 4.090
60 HG2 LYS 7 HG2 LYS 7 8.733 -1.702 2.327
61 HG3 LYS 7 HG1 LYS 7 8.367 -2.634 3.771
62 HD2 LYS 7 HD2 LYS 7 9.985 -0.692 4.814
63 HD3 LYS 7 HD1 LYS 7 9.213 0.195 3.508
64 HE2 LYS 7 HE2 LYS 7 8.018 0.240 5.766
65 HE3 LYS 7 HE1 LYS 7 7.037 -0.204 4.368
66 HZ1 LYS 7 HZ1 LYS 7 6.871 -2.344 5.056
67 HZ2 LYS 7 HZ2 LYS 7 7.064 -1.623 6.574
68 HZ3 LYS 7 HZ3 LYS 7 8.388 -2.359 5.811
69 H LEU 8 HN LEU 8 12.113 -1.810 0.755
70 HA LEU 8 HA LEU 8 14.404 -3.547 1.074
71 HB2 LEU 8 HB2 LEU 8 13.345 -2.154 -1.396
72 HB3 LEU 8 HB1 LEU 8 14.547 -3.442 -1.370
73 HG LEU 8 HG LEU 8 12.171 -4.194 0.139
74 HD11 LEU 8 HD11 LEU 8 11.782 -3.685 -2.823
75 HD12 LEU 8 HD12 LEU 8 11.136 -2.639 -1.561
76 HD13 LEU 8 HD13 LEU 8 10.591 -4.308 -1.685
77 HD21 LEU 8 HD21 LEU 8 12.399 -6.206 -1.154
78 HD22 LEU 8 HD22 LEU 8 14.035 -5.646 -0.809
79 HD23 LEU 8 HD23 LEU 8 13.328 -5.377 -2.403
80 H LEU 9 HN LEU 9 13.813 -0.150 0.339
81 HA LEU 9 HA LEU 9 16.351 0.617 -0.525
82 HB2 LEU 9 HB2 LEU 9 14.218 2.016 -0.461
83 HB3 LEU 9 HB1 LEU 9 14.575 2.309 1.239
84 HG LEU 9 HG LEU 9 16.802 3.223 0.590
85 HD11 LEU 9 HD11 LEU 9 15.751 2.576 -2.168
86 HD12 LEU 9 HD12 LEU 9 17.307 2.149 -1.459
87 HD13 LEU 9 HD13 LEU 9 16.980 3.817 -1.925
88 HD21 LEU 9 HD21 LEU 9 14.684 4.646 0.781
89 HD22 LEU 9 HD22 LEU 9 14.601 4.594 -0.975
90 HD23 LEU 9 HD23 LEU 9 15.984 5.342 -0.181
91 H LYS 10 HN LYS 10 15.070 0.428 2.804
92 HA LYS 10 HA LYS 10 17.306 1.462 4.137
93 HB2 LYS 10 HB2 LYS 10 15.261 -0.606 4.967
94 HB3 LYS 10 HB1 LYS 10 16.450 0.089 6.068
95 HG2 LYS 10 HG2 LYS 10 14.932 2.068 4.471
96 HG3 LYS 10 HG1 LYS 10 13.964 1.148 5.626
97 HD2 LYS 10 HD2 LYS 10 16.525 2.635 6.292
98 HD3 LYS 10 HD1 LYS 10 14.893 3.212 6.641
99 HE2 LYS 10 HE2 LYS 10 14.680 0.811 7.775
100 HE3 LYS 10 HE1 LYS 10 16.434 0.980 7.899
101 HZ1 LYS 10 HZ1 LYS 10 14.396 2.275 9.405
102 HZ2 LYS 10 HZ2 LYS 10 15.395 3.420 8.649
103 HZ3 LYS 10 HZ3 LYS 10 16.069 2.252 9.676
104 H LYS 11 HN LYS 11 16.706 -1.643 2.707
105 HA LYS 11 HA LYS 11 18.999 -2.866 3.970
106 HB2 LYS 11 HB2 LYS 11 16.840 -3.835 2.105
107 HB3 LYS 11 HB1 LYS 11 18.286 -4.799 2.397
108 HG2 LYS 11 HG2 LYS 11 16.301 -5.327 3.904
109 HG3 LYS 11 HG1 LYS 11 17.812 -4.983 4.743
110 HD2 LYS 11 HD2 LYS 11 17.043 -2.972 5.584
111 HD3 LYS 11 HD1 LYS 11 15.981 -2.670 4.213
112 HE2 LYS 11 HE2 LYS 11 15.466 -4.845 6.252
113 HE3 LYS 11 HE1 LYS 11 14.772 -3.226 6.363
114 HZ1 LYS 11 HZ1 LYS 11 13.983 -3.657 3.987
115 HZ2 LYS 11 HZ2 LYS 11 13.170 -4.469 5.240
116 HZ3 LYS 11 HZ3 LYS 11 14.316 -5.291 4.298
117 H LEU 12 HN LEU 12 17.919 -1.805 0.773
118 HA LEU 12 HA LEU 12 20.305 -2.596 -0.596
119 HB2 LEU 12 HB2 LEU 12 18.038 -0.738 -1.311
120 HB3 LEU 12 HB1 LEU 12 19.400 -1.036 -2.393
121 HG LEU 12 HG LEU 12 17.847 -3.331 -1.188
122 HD11 LEU 12 HD11 LEU 12 16.314 -1.695 -2.390
123 HD12 LEU 12 HD12 LEU 12 16.338 -3.329 -3.055
124 HD13 LEU 12 HD13 LEU 12 17.233 -2.037 -3.855
125 HD21 LEU 12 HD21 LEU 12 18.603 -4.308 -3.456
126 HD22 LEU 12 HD22 LEU 12 19.842 -4.051 -2.230
127 HD23 LEU 12 HD23 LEU 12 19.669 -2.909 -3.563
128 H ARG 13 HN ARG 13 19.409 0.222 1.248
129 HA ARG 13 HA ARG 13 21.219 2.041 0.092
130 HB2 ARG 13 HB2 ARG 13 20.986 3.359 2.114
131 HB3 ARG 13 HB1 ARG 13 19.418 2.710 1.652
132 HG2 ARG 13 HG2 ARG 13 19.258 1.942 3.770
133 HG3 ARG 13 HG1 ARG 13 20.449 0.730 3.305
134 HD2 ARG 13 HD2 ARG 13 21.839 1.621 4.849
135 HD3 ARG 13 HD1 ARG 13 21.950 3.045 3.830
136 HE ARG 13 HE ARG 13 20.654 4.173 5.375
137 HH11 ARG 13 HH11 ARG 13 19.519 4.327 7.338
138 HH12 ARG 13 HH12 ARG 13 18.933 2.897 8.121
139 HH21 ARG 13 HH21 ARG 13 20.176 0.749 5.681
140 HH22 ARG 13 HH22 ARG 13 19.318 0.857 7.182
141 H LEU 14 HN LEU 14 21.696 -0.414 2.632
142 HA LEU 14 HA LEU 14 24.278 0.409 3.425
143 HB2 LEU 14 HB2 LEU 14 23.178 -2.409 3.330
144 HB3 LEU 14 HB1 LEU 14 24.564 -1.856 4.269
145 HG LEU 14 HG LEU 14 22.527 -0.075 4.961
146 HD11 LEU 14 HD11 LEU 14 20.693 -1.572 5.702
147 HD12 LEU 14 HD12 LEU 14 21.468 -2.911 4.857
148 HD13 LEU 14 HD13 LEU 14 20.844 -1.538 3.945
149 HD21 LEU 14 HD21 LEU 14 23.658 -2.541 6.288
150 HD22 LEU 14 HD22 LEU 14 22.564 -1.434 7.117
151 HD23 LEU 14 HD23 LEU 14 24.130 -0.860 6.544
152 H LYS 15 HN LYS 15 23.212 -0.854 0.447
153 HA LYS 15 HA LYS 15 25.761 -2.107 -0.199
154 HB2 LYS 15 HB2 LYS 15 23.162 -1.757 -1.668
155 HB3 LYS 15 HB1 LYS 15 24.624 -2.228 -2.532
156 HG2 LYS 15 HG2 LYS 15 23.680 -4.300 -1.939
157 HG3 LYS 15 HG1 LYS 15 24.874 -4.031 -0.671
158 HD2 LYS 15 HD2 LYS 15 22.460 -2.750 0.156
159 HD3 LYS 15 HD1 LYS 15 22.028 -4.367 -0.401
160 HE2 LYS 15 HE2 LYS 15 23.954 -3.596 1.807
161 HE3 LYS 15 HE1 LYS 15 22.555 -4.663 1.896
162 HZ1 LYS 15 HZ1 LYS 15 24.364 -6.095 1.830
163 HZ2 LYS 15 HZ2 LYS 15 25.193 -5.181 0.670
164 HZ3 LYS 15 HZ3 LYS 15 23.824 -6.087 0.226
165 H ILE 16 HN ILE 16 23.962 0.825 -0.980
166 HA ILE 16 HA ILE 16 26.203 1.765 -2.596
167 HB ILE 16 HB ILE 16 24.642 2.649 -3.904
168 HG12 ILE 16 HG12 ILE 16 24.710 4.594 -2.171
169 HG13 ILE 16 HG11 ILE 16 23.353 4.518 -3.288
170 HG21 ILE 16 HG21 ILE 16 23.308 0.715 -3.234
171 HG22 ILE 16 HG22 ILE 16 22.267 2.109 -3.518
172 HG23 ILE 16 HG23 ILE 16 22.658 1.623 -1.871
173 HD11 ILE 16 HD11 ILE 16 22.942 4.818 -0.681
174 HD12 ILE 16 HD12 ILE 16 23.102 3.063 -0.688
175 HD13 ILE 16 HD13 ILE 16 21.858 3.837 -1.664
176 H ALA 17 HN ALA 17 24.552 2.404 0.389
177 HA ALA 17 HA ALA 17 25.824 4.990 0.771
178 HB1 ALA 17 HB1 ALA 17 24.231 3.336 2.739
179 HB2 ALA 17 HB2 ALA 17 23.547 4.533 1.638
180 HB3 ALA 17 HB3 ALA 17 24.667 5.037 2.905
181 H PHE 18 HN PHE 18 27.211 2.120 0.774
182 HA PHE 18 HA PHE 18 28.826 2.628 3.208
183 HB2 PHE 18 HB2 PHE 18 27.575 0.241 2.304
184 HB3 PHE 18 HB1 PHE 18 29.308 0.012 2.098
185 HD1 PHE 18 HD1 PHE 18 26.824 -0.703 4.265
186 HD2 PHE 18 HD2 PHE 18 30.599 1.362 4.253
187 HE1 PHE 18 HE1 PHE 18 27.054 -1.110 6.696
188 HE2 PHE 18 HE2 PHE 18 30.819 0.956 6.693
189 HZ PHE 18 HZ PHE 18 29.054 -0.280 7.912
190 H LYS 19 HN LYS 19 28.722 3.076 0.021
191 HA LYS 19 HA LYS 19 31.595 2.595 -0.431
192 HB2 LYS 19 HB2 LYS 19 29.949 3.258 -2.764
193 HB3 LYS 19 HB1 LYS 19 31.088 1.943 -2.520
194 HG2 LYS 19 HG2 LYS 19 28.280 2.004 -1.380
195 HG3 LYS 19 HG1 LYS 19 28.746 1.145 -2.844
196 HD2 LYS 19 HD2 LYS 19 30.431 0.576 -0.471
197 HD3 LYS 19 HD1 LYS 19 28.768 -0.001 -0.365
198 HE2 LYS 19 HE2 LYS 19 30.734 -0.597 -2.601
199 HE3 LYS 19 HE1 LYS 19 30.188 -1.730 -1.369
200 HZ1 LYS 19 HZ1 LYS 19 28.872 -0.853 -3.771
201 HZ2 LYS 19 HZ2 LYS 19 27.864 -0.812 -2.398
202 HZ3 LYS 19 HZ3 LYS 19 28.627 -2.260 -2.857
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 2.792 1.442 -5.089
2 H3 PRO 1 HT2 PRO 1 1.178 1.398 -4.571
3 HA PRO 1 HA PRO 1 1.928 1.481 -2.495
4 HB2 PRO 1 HB2 PRO 1 3.414 -1.000 -2.423
5 HB3 PRO 1 HB1 PRO 1 1.800 -0.660 -1.773
6 HG2 PRO 1 HG2 PRO 1 2.303 -2.287 -3.932
7 HG3 PRO 1 HG1 PRO 1 0.758 -1.492 -3.594
8 HD2 PRO 1 HD2 PRO 1 2.854 -0.752 -5.598
9 HD3 PRO 1 HD1 PRO 1 1.093 -0.542 -5.672
10 H MET 2 HN MET 2 3.389 3.169 -2.545
11 HA MET 2 HA MET 2 6.115 2.858 -3.410
12 HB2 MET 2 HB2 MET 2 6.369 5.124 -2.254
13 HB3 MET 2 HB1 MET 2 5.240 5.052 -3.606
14 HG2 MET 2 HG2 MET 2 4.177 4.505 -0.856
15 HG3 MET 2 HG1 MET 2 4.541 6.176 -1.290
16 HE1 MET 2 HE1 MET 2 1.461 3.610 -1.500
17 HE2 MET 2 HE2 MET 2 0.706 5.194 -1.369
18 HE3 MET 2 HE3 MET 2 2.099 4.807 -0.367
19 H ALA 3 HN ALA 3 4.428 2.048 -0.591
20 HA ALA 3 HA ALA 3 6.346 2.537 1.417
21 HB1 ALA 3 HB1 ALA 3 5.002 1.033 2.773
22 HB2 ALA 3 HB2 ALA 3 4.209 0.409 1.326
23 HB3 ALA 3 HB3 ALA 3 3.954 2.083 1.820
24 H ARG 4 HN ARG 4 5.729 -0.352 -0.524
25 HA ARG 4 HA ARG 4 7.387 -2.168 0.746
26 HB2 ARG 4 HB2 ARG 4 7.712 -2.981 -1.768
27 HB3 ARG 4 HB1 ARG 4 6.161 -3.149 -0.939
28 HG2 ARG 4 HG2 ARG 4 5.291 -1.177 -1.959
29 HG3 ARG 4 HG1 ARG 4 6.882 -0.686 -2.531
30 HD2 ARG 4 HD2 ARG 4 6.852 -2.940 -3.847
31 HD3 ARG 4 HD1 ARG 4 5.110 -2.880 -3.584
32 HE ARG 4 HE ARG 4 5.606 -0.408 -4.554
33 HH11 ARG 4 HH11 ARG 4 5.817 0.160 -6.755
34 HH12 ARG 4 HH12 ARG 4 6.275 -1.032 -7.920
35 HH21 ARG 4 HH21 ARG 4 6.492 -3.608 -5.611
36 HH22 ARG 4 HH22 ARG 4 6.665 -3.155 -7.277
37 H ASN 5 HN ASN 5 8.242 0.284 -1.650
38 HA ASN 5 HA ASN 5 10.894 -0.552 -2.095
39 HB2 ASN 5 HB2 ASN 5 9.780 1.054 -3.557
40 HB3 ASN 5 HB1 ASN 5 9.709 2.225 -2.245
41 HD21 ASN 5 HD21 ASN 5 12.335 0.109 -3.564
42 HD22 ASN 5 HD22 ASN 5 13.460 1.373 -3.712
43 H LYS 6 HN LYS 6 9.471 1.530 0.373
44 HA LYS 6 HA LYS 6 11.835 2.602 1.445
45 HB2 LYS 6 HB2 LYS 6 9.383 1.870 3.059
46 HB3 LYS 6 HB1 LYS 6 10.558 3.141 3.394
47 HG2 LYS 6 HG2 LYS 6 8.724 3.057 0.981
48 HG3 LYS 6 HG1 LYS 6 8.482 4.056 2.411
49 HD2 LYS 6 HD2 LYS 6 10.130 5.535 1.834
50 HD3 LYS 6 HD1 LYS 6 11.138 4.303 1.081
51 HE2 LYS 6 HE2 LYS 6 9.960 6.087 -0.434
52 HE3 LYS 6 HE1 LYS 6 9.959 4.400 -0.947
53 HZ1 LYS 6 HZ1 LYS 6 7.772 5.215 0.784
54 HZ2 LYS 6 HZ2 LYS 6 7.760 4.188 -0.574
55 HZ3 LYS 6 HZ3 LYS 6 7.767 5.879 -0.773
56 H LYS 7 HN LYS 7 10.265 -0.500 1.975
57 HA LYS 7 HA LYS 7 11.823 -1.278 4.214
58 HB2 LYS 7 HB2 LYS 7 10.169 -2.763 2.185
59 HB3 LYS 7 HB1 LYS 7 11.158 -3.645 3.346
60 HG2 LYS 7 HG2 LYS 7 8.925 -3.379 4.285
61 HG3 LYS 7 HG1 LYS 7 10.040 -2.358 5.191
62 HD2 LYS 7 HD2 LYS 7 9.305 -0.384 4.062
63 HD3 LYS 7 HD1 LYS 7 8.412 -1.317 2.862
64 HE2 LYS 7 HE2 LYS 7 6.890 -0.364 4.558
65 HE3 LYS 7 HE1 LYS 7 6.890 -2.129 4.614
66 HZ1 LYS 7 HZ1 LYS 7 7.394 -1.949 6.742
67 HZ2 LYS 7 HZ2 LYS 7 7.615 -0.273 6.632
68 HZ3 LYS 7 HZ3 LYS 7 8.909 -1.330 6.304
69 H LEU 8 HN LEU 8 12.146 -1.791 0.722
70 HA LEU 8 HA LEU 8 14.549 -3.334 0.939
71 HB2 LEU 8 HB2 LEU 8 13.392 -1.801 -1.404
72 HB3 LEU 8 HB1 LEU 8 14.716 -2.961 -1.495
73 HG LEU 8 HG LEU 8 12.403 -4.073 -0.082
74 HD11 LEU 8 HD11 LEU 8 10.948 -4.283 -2.054
75 HD12 LEU 8 HD12 LEU 8 12.044 -3.271 -2.987
76 HD13 LEU 8 HD13 LEU 8 11.157 -2.587 -1.629
77 HD21 LEU 8 HD21 LEU 8 14.011 -4.837 -2.534
78 HD22 LEU 8 HD22 LEU 8 12.770 -5.860 -1.811
79 HD23 LEU 8 HD23 LEU 8 14.220 -5.453 -0.895
80 H LEU 9 HN LEU 9 13.781 0.062 0.689
81 HA LEU 9 HA LEU 9 16.230 1.095 -0.161
82 HB2 LEU 9 HB2 LEU 9 13.903 2.230 0.455
83 HB3 LEU 9 HB1 LEU 9 14.733 2.549 1.977
84 HG LEU 9 HG LEU 9 16.340 3.117 -0.447
85 HD11 LEU 9 HD11 LEU 9 14.269 5.172 0.243
86 HD12 LEU 9 HD12 LEU 9 13.831 3.867 -0.859
87 HD13 LEU 9 HD13 LEU 9 15.166 4.947 -1.258
88 HD21 LEU 9 HD21 LEU 9 17.073 3.667 1.844
89 HD22 LEU 9 HD22 LEU 9 15.655 4.695 2.053
90 HD23 LEU 9 HD23 LEU 9 16.893 5.127 0.873
91 H LYS 10 HN LYS 10 15.191 0.059 3.049
92 HA LYS 10 HA LYS 10 17.365 1.060 4.536
93 HB2 LYS 10 HB2 LYS 10 16.179 -1.608 5.200
94 HB3 LYS 10 HB1 LYS 10 16.631 -0.289 6.276
95 HG2 LYS 10 HG2 LYS 10 14.718 1.025 5.076
96 HG3 LYS 10 HG1 LYS 10 14.166 -0.568 4.568
97 HD2 LYS 10 HD2 LYS 10 14.645 0.296 7.435
98 HD3 LYS 10 HD1 LYS 10 13.066 0.132 6.670
99 HE2 LYS 10 HE2 LYS 10 14.534 -2.300 6.232
100 HE3 LYS 10 HE1 LYS 10 14.610 -1.898 7.947
101 HZ1 LYS 10 HZ1 LYS 10 12.463 -2.983 6.537
102 HZ2 LYS 10 HZ2 LYS 10 12.001 -1.425 7.044
103 HZ3 LYS 10 HZ3 LYS 10 12.537 -2.564 8.177
104 H LYS 11 HN LYS 11 16.999 -1.745 2.489
105 HA LYS 11 HA LYS 11 19.505 -2.914 3.293
106 HB2 LYS 11 HB2 LYS 11 17.405 -3.611 1.253
107 HB3 LYS 11 HB1 LYS 11 18.996 -4.369 1.188
108 HG2 LYS 11 HG2 LYS 11 17.743 -5.850 2.536
109 HG3 LYS 11 HG1 LYS 11 18.631 -4.873 3.703
110 HD2 LYS 11 HD2 LYS 11 16.457 -3.323 3.500
111 HD3 LYS 11 HD1 LYS 11 15.715 -4.859 3.056
112 HE2 LYS 11 HE2 LYS 11 17.190 -4.186 5.612
113 HE3 LYS 11 HE1 LYS 11 15.503 -4.673 5.436
114 HZ1 LYS 11 HZ1 LYS 11 16.892 -6.503 6.187
115 HZ2 LYS 11 HZ2 LYS 11 17.872 -6.357 4.812
116 HZ3 LYS 11 HZ3 LYS 11 16.247 -6.829 4.654
117 H LEU 12 HN LEU 12 18.173 -1.312 0.425
118 HA LEU 12 HA LEU 12 20.424 -1.384 -1.211
119 HB2 LEU 12 HB2 LEU 12 18.397 0.853 -0.989
120 HB3 LEU 12 HB1 LEU 12 19.478 0.574 -2.352
121 HG LEU 12 HG LEU 12 17.506 -1.504 -1.382
122 HD11 LEU 12 HD11 LEU 12 16.737 -0.359 -3.880
123 HD12 LEU 12 HD12 LEU 12 16.958 0.958 -2.729
124 HD13 LEU 12 HD13 LEU 12 15.840 -0.356 -2.361
125 HD21 LEU 12 HD21 LEU 12 17.926 -2.526 -3.536
126 HD22 LEU 12 HD22 LEU 12 19.484 -2.208 -2.777
127 HD23 LEU 12 HD23 LEU 12 18.895 -1.146 -4.056
128 H ARG 13 HN ARG 13 19.600 0.898 1.378
129 HA ARG 13 HA ARG 13 21.645 2.758 0.875
130 HB2 ARG 13 HB2 ARG 13 21.136 3.701 2.942
131 HB3 ARG 13 HB1 ARG 13 19.638 2.878 2.537
132 HG2 ARG 13 HG2 ARG 13 19.913 2.118 4.700
133 HG3 ARG 13 HG1 ARG 13 20.798 0.862 3.839
134 HD2 ARG 13 HD2 ARG 13 22.030 1.798 5.814
135 HD3 ARG 13 HD1 ARG 13 22.917 1.948 4.310
136 HE ARG 13 HE ARG 13 21.546 4.146 5.739
137 HH11 ARG 13 HH11 ARG 13 22.476 6.167 5.359
138 HH12 ARG 13 HH12 ARG 13 23.729 6.342 4.178
139 HH21 ARG 13 HH21 ARG 13 23.706 3.009 3.242
140 HH22 ARG 13 HH22 ARG 13 24.423 4.565 2.986
141 H LEU 14 HN LEU 14 21.689 -0.367 2.458
142 HA LEU 14 HA LEU 14 24.276 -0.027 3.639
143 HB2 LEU 14 HB2 LEU 14 23.114 -2.702 2.909
144 HB3 LEU 14 HB1 LEU 14 24.125 -2.278 4.290
145 HG LEU 14 HG LEU 14 21.275 -1.327 3.881
146 HD11 LEU 14 HD11 LEU 14 22.400 -3.464 5.704
147 HD12 LEU 14 HD12 LEU 14 21.375 -3.742 4.293
148 HD13 LEU 14 HD13 LEU 14 20.733 -2.892 5.700
149 HD21 LEU 14 HD21 LEU 14 23.059 0.013 5.269
150 HD22 LEU 14 HD22 LEU 14 22.821 -1.269 6.453
151 HD23 LEU 14 HD23 LEU 14 21.456 -0.270 5.950
152 H LYS 15 HN LYS 15 23.039 -1.330 0.628
153 HA LYS 15 HA LYS 15 25.520 -2.445 -0.226
154 HB2 LYS 15 HB2 LYS 15 22.837 -2.020 -1.439
155 HB3 LYS 15 HB1 LYS 15 24.196 -2.281 -2.533
156 HG2 LYS 15 HG2 LYS 15 23.383 -4.471 -2.072
157 HG3 LYS 15 HG1 LYS 15 24.811 -4.293 -1.053
158 HD2 LYS 15 HD2 LYS 15 22.467 -3.306 0.340
159 HD3 LYS 15 HD1 LYS 15 22.188 -4.949 -0.225
160 HE2 LYS 15 HE2 LYS 15 24.549 -4.026 1.450
161 HE3 LYS 15 HE1 LYS 15 23.208 -5.026 2.007
162 HZ1 LYS 15 HZ1 LYS 15 24.215 -6.236 -0.271
163 HZ2 LYS 15 HZ2 LYS 15 24.349 -6.782 1.330
164 HZ3 LYS 15 HZ3 LYS 15 25.567 -5.812 0.654
165 H ILE 16 HN ILE 16 23.922 0.680 -1.000
166 HA ILE 16 HA ILE 16 25.936 1.339 -2.918
167 HB ILE 16 HB ILE 16 24.643 3.101 -3.408
168 HG12 ILE 16 HG12 ILE 16 25.600 4.333 -1.424
169 HG13 ILE 16 HG11 ILE 16 23.971 4.826 -1.875
170 HG21 ILE 16 HG21 ILE 16 23.011 1.217 -2.633
171 HG22 ILE 16 HG22 ILE 16 22.388 2.825 -2.994
172 HG23 ILE 16 HG23 ILE 16 22.647 2.340 -1.323
173 HD11 ILE 16 HD11 ILE 16 23.847 2.616 -0.021
174 HD12 ILE 16 HD12 ILE 16 23.176 4.238 0.139
175 HD13 ILE 16 HD13 ILE 16 24.830 3.916 0.649
176 H ALA 17 HN ALA 17 25.661 1.489 0.479
177 HA ALA 17 HA ALA 17 27.882 3.369 0.761
178 HB1 ALA 17 HB1 ALA 17 27.416 2.844 3.249
179 HB2 ALA 17 HB2 ALA 17 25.956 2.059 2.659
180 HB3 ALA 17 HB3 ALA 17 26.219 3.776 2.357
181 H PHE 18 HN PHE 18 27.301 0.019 0.564
182 HA PHE 18 HA PHE 18 29.327 -1.028 2.234
183 HB2 PHE 18 HB2 PHE 18 27.469 -2.338 1.128
184 HB3 PHE 18 HB1 PHE 18 28.368 -2.212 -0.383
185 HD1 PHE 18 HD1 PHE 18 28.877 -3.216 3.213
186 HD2 PHE 18 HD2 PHE 18 29.920 -3.866 -0.914
187 HE1 PHE 18 HE1 PHE 18 30.274 -5.157 3.869
188 HE2 PHE 18 HE2 PHE 18 31.316 -5.802 -0.250
189 HZ PHE 18 HZ PHE 18 31.491 -6.449 2.138
190 H LYS 19 HN LYS 19 29.504 0.829 -0.570
191 HA LYS 19 HA LYS 19 32.369 0.275 -0.796
192 HB2 LYS 19 HB2 LYS 19 32.321 0.128 -3.168
193 HB3 LYS 19 HB1 LYS 19 31.097 -0.989 -2.574
194 HG2 LYS 19 HG2 LYS 19 30.353 1.845 -3.312
195 HG3 LYS 19 HG1 LYS 19 30.487 0.604 -4.550
196 HD2 LYS 19 HD2 LYS 19 28.754 0.332 -2.086
197 HD3 LYS 19 HD1 LYS 19 28.167 0.917 -3.639
198 HE2 LYS 19 HE2 LYS 19 29.255 -1.807 -2.963
199 HE3 LYS 19 HE1 LYS 19 27.676 -1.405 -3.628
200 HZ1 LYS 19 HZ1 LYS 19 28.592 -1.843 -5.590
201 HZ2 LYS 19 HZ2 LYS 19 30.168 -1.819 -4.967
202 HZ3 LYS 19 HZ3 LYS 19 29.414 -0.375 -5.435
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 1.821 0.740 -3.073
2 H3 PRO 1 HT2 PRO 1 0.368 1.516 -2.655
3 HA PRO 1 HA PRO 1 1.477 2.587 -1.092
4 HB2 PRO 1 HB2 PRO 1 2.355 0.349 0.523
5 HB3 PRO 1 HB1 PRO 1 1.005 1.459 0.824
6 HG2 PRO 1 HG2 PRO 1 0.737 -1.200 0.155
7 HG3 PRO 1 HG1 PRO 1 -0.513 0.034 -0.047
8 HD2 PRO 1 HD2 PRO 1 1.245 -1.210 -2.114
9 HD3 PRO 1 HD1 PRO 1 -0.396 -0.550 -2.268
10 H MET 2 HN MET 2 3.229 3.175 -2.565
11 HA MET 2 HA MET 2 5.541 1.683 -3.051
12 HB2 MET 2 HB2 MET 2 6.666 3.978 -3.283
13 HB3 MET 2 HB1 MET 2 5.271 3.675 -4.318
14 HG2 MET 2 HG2 MET 2 4.699 4.864 -1.648
15 HG3 MET 2 HG1 MET 2 5.526 5.905 -2.804
16 HE1 MET 2 HE1 MET 2 2.144 4.885 -1.520
17 HE2 MET 2 HE2 MET 2 1.393 6.192 -2.432
18 HE3 MET 2 HE3 MET 2 2.868 6.501 -1.524
19 H ALA 3 HN ALA 3 4.458 3.111 -0.136
20 HA ALA 3 HA ALA 3 6.848 3.693 1.192
21 HB1 ALA 3 HB1 ALA 3 5.500 3.056 3.286
22 HB2 ALA 3 HB2 ALA 3 4.167 2.714 2.184
23 HB3 ALA 3 HB3 ALA 3 4.839 4.342 2.279
24 H ARG 4 HN ARG 4 5.468 0.662 0.267
25 HA ARG 4 HA ARG 4 6.835 -0.967 2.182
26 HB2 ARG 4 HB2 ARG 4 6.204 -2.840 0.739
27 HB3 ARG 4 HB1 ARG 4 4.834 -1.754 0.966
28 HG2 ARG 4 HG2 ARG 4 5.770 -0.605 -1.223
29 HG3 ARG 4 HG1 ARG 4 6.531 -2.179 -1.471
30 HD2 ARG 4 HD2 ARG 4 4.097 -3.057 -0.866
31 HD3 ARG 4 HD1 ARG 4 3.627 -1.463 -1.431
32 HE ARG 4 HE ARG 4 5.043 -2.144 -3.501
33 HH11 ARG 4 HH11 ARG 4 4.628 -3.614 -5.162
34 HH12 ARG 4 HH12 ARG 4 3.669 -5.024 -4.857
35 HH21 ARG 4 HH21 ARG 4 3.077 -4.227 -1.531
36 HH22 ARG 4 HH22 ARG 4 2.773 -5.363 -2.803
37 H ASN 5 HN ASN 5 7.544 0.131 -1.101
38 HA ASN 5 HA ASN 5 9.831 -1.446 -1.560
39 HB2 ASN 5 HB2 ASN 5 8.467 0.150 -3.151
40 HB3 ASN 5 HB1 ASN 5 9.657 1.341 -2.633
41 HD21 ASN 5 HD21 ASN 5 11.872 -0.597 -2.353
42 HD22 ASN 5 HD22 ASN 5 12.307 -1.046 -3.932
43 H LYS 6 HN LYS 6 9.390 1.640 0.076
44 HA LYS 6 HA LYS 6 12.050 2.459 0.294
45 HB2 LYS 6 HB2 LYS 6 9.596 2.910 1.949
46 HB3 LYS 6 HB1 LYS 6 11.155 3.480 2.540
47 HG2 LYS 6 HG2 LYS 6 10.486 4.100 -0.303
48 HG3 LYS 6 HG1 LYS 6 9.584 4.972 0.938
49 HD2 LYS 6 HD2 LYS 6 12.042 5.265 1.973
50 HD3 LYS 6 HD1 LYS 6 12.495 5.093 0.276
51 HE2 LYS 6 HE2 LYS 6 10.663 7.160 1.514
52 HE3 LYS 6 HE1 LYS 6 12.161 7.433 0.626
53 HZ1 LYS 6 HZ1 LYS 6 9.780 6.162 -0.599
54 HZ2 LYS 6 HZ2 LYS 6 11.154 6.789 -1.382
55 HZ3 LYS 6 HZ3 LYS 6 10.043 7.833 -0.633
56 H LYS 7 HN LYS 7 10.227 0.146 2.228
57 HA LYS 7 HA LYS 7 12.186 -0.099 4.278
58 HB2 LYS 7 HB2 LYS 7 10.393 -2.391 3.628
59 HB3 LYS 7 HB1 LYS 7 10.830 -1.711 5.194
60 HG2 LYS 7 HG2 LYS 7 8.777 -0.727 3.222
61 HG3 LYS 7 HG1 LYS 7 8.602 -1.016 4.949
62 HD2 LYS 7 HD2 LYS 7 10.549 0.929 4.910
63 HD3 LYS 7 HD1 LYS 7 9.532 1.395 3.551
64 HE2 LYS 7 HE2 LYS 7 8.459 0.740 6.303
65 HE3 LYS 7 HE1 LYS 7 8.780 2.370 5.731
66 HZ1 LYS 7 HZ1 LYS 7 7.337 1.433 3.714
67 HZ2 LYS 7 HZ2 LYS 7 6.662 2.237 5.052
68 HZ3 LYS 7 HZ3 LYS 7 6.659 0.540 4.992
69 H LEU 8 HN LEU 8 11.742 -1.615 1.172
70 HA LEU 8 HA LEU 8 13.791 -3.620 1.677
71 HB2 LEU 8 HB2 LEU 8 12.198 -2.909 -0.794
72 HB3 LEU 8 HB1 LEU 8 13.397 -4.197 -0.733
73 HG LEU 8 HG LEU 8 11.741 -4.576 1.530
74 HD11 LEU 8 HD11 LEU 8 10.287 -3.219 -0.514
75 HD12 LEU 8 HD12 LEU 8 9.664 -3.938 0.969
76 HD13 LEU 8 HD13 LEU 8 9.747 -4.896 -0.508
77 HD21 LEU 8 HD21 LEU 8 11.686 -6.025 -1.138
78 HD22 LEU 8 HD22 LEU 8 11.222 -6.687 0.429
79 HD23 LEU 8 HD23 LEU 8 12.910 -6.288 0.106
80 H LEU 9 HN LEU 9 13.462 -0.480 0.198
81 HA LEU 9 HA LEU 9 15.806 -0.445 -1.379
82 HB2 LEU 9 HB2 LEU 9 14.109 1.677 -0.091
83 HB3 LEU 9 HB1 LEU 9 15.613 2.113 -0.899
84 HG LEU 9 HG LEU 9 13.616 0.353 -2.306
85 HD11 LEU 9 HD11 LEU 9 12.151 2.113 -1.880
86 HD12 LEU 9 HD12 LEU 9 12.922 2.678 -3.360
87 HD13 LEU 9 HD13 LEU 9 13.441 3.309 -1.797
88 HD21 LEU 9 HD21 LEU 9 15.732 2.351 -3.148
89 HD22 LEU 9 HD22 LEU 9 14.656 1.516 -4.270
90 HD23 LEU 9 HD23 LEU 9 15.808 0.598 -3.303
91 H LYS 10 HN LYS 10 15.275 0.073 2.058
92 HA LYS 10 HA LYS 10 17.683 1.364 2.706
93 HB2 LYS 10 HB2 LYS 10 16.574 -0.713 4.560
94 HB3 LYS 10 HB1 LYS 10 17.217 0.884 4.928
95 HG2 LYS 10 HG2 LYS 10 15.076 1.550 3.376
96 HG3 LYS 10 HG1 LYS 10 14.475 0.090 4.157
97 HD2 LYS 10 HD2 LYS 10 15.630 2.511 5.565
98 HD3 LYS 10 HD1 LYS 10 13.927 2.063 5.505
99 HE2 LYS 10 HE2 LYS 10 14.558 -0.126 6.606
100 HE3 LYS 10 HE1 LYS 10 16.179 0.533 6.838
101 HZ1 LYS 10 HZ1 LYS 10 13.733 1.922 7.764
102 HZ2 LYS 10 HZ2 LYS 10 15.346 2.262 8.177
103 HZ3 LYS 10 HZ3 LYS 10 14.607 0.844 8.745
104 H LYS 11 HN LYS 11 16.918 -2.062 2.362
105 HA LYS 11 HA LYS 11 19.317 -3.144 3.290
106 HB2 LYS 11 HB2 LYS 11 17.360 -4.075 1.180
107 HB3 LYS 11 HB1 LYS 11 18.763 -5.031 1.649
108 HG2 LYS 11 HG2 LYS 11 16.632 -5.620 2.894
109 HG3 LYS 11 HG1 LYS 11 17.992 -5.198 3.933
110 HD2 LYS 11 HD2 LYS 11 17.111 -2.949 4.263
111 HD3 LYS 11 HD1 LYS 11 15.815 -3.244 3.101
112 HE2 LYS 11 HE2 LYS 11 15.879 -5.287 5.181
113 HE3 LYS 11 HE1 LYS 11 15.704 -3.669 5.864
114 HZ1 LYS 11 HZ1 LYS 11 13.558 -4.599 5.346
115 HZ2 LYS 11 HZ2 LYS 11 14.020 -4.875 3.740
116 HZ3 LYS 11 HZ3 LYS 11 13.861 -3.279 4.315
117 H LEU 12 HN LEU 12 18.493 -1.670 0.223
118 HA LEU 12 HA LEU 12 20.890 -2.430 -1.154
119 HB2 LEU 12 HB2 LEU 12 19.074 -0.105 -1.790
120 HB3 LEU 12 HB1 LEU 12 20.140 -0.976 -2.895
121 HG LEU 12 HG LEU 12 17.761 -2.191 -1.452
122 HD11 LEU 12 HD11 LEU 12 16.469 -1.735 -3.267
123 HD12 LEU 12 HD12 LEU 12 17.796 -2.008 -4.397
124 HD13 LEU 12 HD13 LEU 12 17.651 -0.459 -3.564
125 HD21 LEU 12 HD21 LEU 12 19.721 -3.261 -3.499
126 HD22 LEU 12 HD22 LEU 12 18.172 -4.030 -3.148
127 HD23 LEU 12 HD23 LEU 12 19.391 -3.890 -1.885
128 H ARG 13 HN ARG 13 19.959 0.317 0.870
129 HA ARG 13 HA ARG 13 22.015 2.054 0.046
130 HB2 ARG 13 HB2 ARG 13 21.534 3.387 1.947
131 HB3 ARG 13 HB1 ARG 13 20.000 2.673 1.458
132 HG2 ARG 13 HG2 ARG 13 19.786 1.915 3.573
133 HG3 ARG 13 HG1 ARG 13 21.116 0.817 3.234
134 HD2 ARG 13 HD2 ARG 13 22.695 2.684 3.866
135 HD3 ARG 13 HD1 ARG 13 21.288 3.580 4.438
136 HE ARG 13 HE ARG 13 21.094 1.154 5.698
137 HH11 ARG 13 HH11 ARG 13 22.081 0.697 7.710
138 HH12 ARG 13 HH12 ARG 13 23.457 1.622 8.219
139 HH21 ARG 13 HH21 ARG 13 23.485 3.631 5.389
140 HH22 ARG 13 HH22 ARG 13 24.238 3.309 6.914
141 H LEU 14 HN LEU 14 22.036 -0.532 2.463
142 HA LEU 14 HA LEU 14 24.503 0.129 3.652
143 HB2 LEU 14 HB2 LEU 14 23.181 -2.565 3.253
144 HB3 LEU 14 HB1 LEU 14 24.600 -2.292 4.265
145 HG LEU 14 HG LEU 14 22.949 -0.327 5.191
146 HD11 LEU 14 HD11 LEU 14 20.982 -2.516 5.171
147 HD12 LEU 14 HD12 LEU 14 21.249 -1.789 3.588
148 HD13 LEU 14 HD13 LEU 14 20.741 -0.785 4.943
149 HD21 LEU 14 HD21 LEU 14 22.427 -1.970 7.043
150 HD22 LEU 14 HD22 LEU 14 24.135 -1.859 6.625
151 HD23 LEU 14 HD23 LEU 14 23.178 -3.223 6.053
152 H LYS 15 HN LYS 15 23.807 -0.960 0.494
153 HA LYS 15 HA LYS 15 26.418 -2.188 0.091
154 HB2 LYS 15 HB2 LYS 15 24.027 -1.692 -1.677
155 HB3 LYS 15 HB1 LYS 15 25.577 -2.177 -2.359
156 HG2 LYS 15 HG2 LYS 15 24.561 -4.245 -2.015
157 HG3 LYS 15 HG1 LYS 15 25.485 -4.059 -0.525
158 HD2 LYS 15 HD2 LYS 15 22.979 -2.752 -0.139
159 HD3 LYS 15 HD1 LYS 15 22.636 -4.332 -0.846
160 HE2 LYS 15 HE2 LYS 15 24.051 -3.684 1.740
161 HE3 LYS 15 HE1 LYS 15 22.709 -4.791 1.463
162 HZ1 LYS 15 HZ1 LYS 15 24.193 -6.409 1.287
163 HZ2 LYS 15 HZ2 LYS 15 25.486 -5.318 1.387
164 HZ3 LYS 15 HZ3 LYS 15 24.791 -5.689 -0.121
165 H ILE 16 HN ILE 16 24.714 0.790 -0.779
166 HA ILE 16 HA ILE 16 27.082 1.781 -2.129
167 HB ILE 16 HB ILE 16 25.638 2.947 -3.342
168 HG12 ILE 16 HG12 ILE 16 25.707 4.622 -1.324
169 HG13 ILE 16 HG11 ILE 16 24.449 4.799 -2.539
170 HG21 ILE 16 HG21 ILE 16 23.237 2.463 -3.153
171 HG22 ILE 16 HG22 ILE 16 23.501 1.765 -1.557
172 HG23 ILE 16 HG23 ILE 16 24.199 0.997 -2.981
173 HD11 ILE 16 HD11 ILE 16 24.130 3.352 0.105
174 HD12 ILE 16 HD12 ILE 16 22.877 3.546 -1.114
175 HD13 ILE 16 HD13 ILE 16 23.506 4.954 -0.264
176 H ALA 17 HN ALA 17 25.477 2.047 0.910
177 HA ALA 17 HA ALA 17 26.830 4.492 1.684
178 HB1 ALA 17 HB1 ALA 17 24.700 4.153 2.685
179 HB2 ALA 17 HB2 ALA 17 25.881 3.905 3.968
180 HB3 ALA 17 HB3 ALA 17 25.116 2.520 3.195
181 H PHE 18 HN PHE 18 27.817 1.327 1.374
182 HA PHE 18 HA PHE 18 29.473 1.151 3.721
183 HB2 PHE 18 HB2 PHE 18 28.517 -0.809 2.426
184 HB3 PHE 18 HB1 PHE 18 29.726 -0.475 1.187
185 HD1 PHE 18 HD1 PHE 18 29.843 -0.367 4.938
186 HD2 PHE 18 HD2 PHE 18 31.434 -2.098 1.340
187 HE1 PHE 18 HE1 PHE 18 31.513 -1.614 6.278
188 HE2 PHE 18 HE2 PHE 18 33.104 -3.346 2.681
189 HZ PHE 18 HZ PHE 18 33.143 -3.105 5.156
190 H LYS 19 HN LYS 19 29.672 3.218 1.286
191 HA LYS 19 HA LYS 19 32.580 3.424 1.510
192 HB2 LYS 19 HB2 LYS 19 32.708 3.876 -0.972
193 HB3 LYS 19 HB1 LYS 19 32.402 2.198 -0.531
194 HG2 LYS 19 HG2 LYS 19 30.035 3.972 -0.974
195 HG3 LYS 19 HG1 LYS 19 30.937 3.447 -2.391
196 HD2 LYS 19 HD2 LYS 19 30.098 1.455 -0.294
197 HD3 LYS 19 HD1 LYS 19 28.966 1.963 -1.543
198 HE2 LYS 19 HE2 LYS 19 31.719 0.816 -2.056
199 HE3 LYS 19 HE1 LYS 19 30.209 -0.087 -2.185
200 HZ1 LYS 19 HZ1 LYS 19 29.843 2.216 -3.665
201 HZ2 LYS 19 HZ2 LYS 19 30.077 0.643 -4.264
202 HZ3 LYS 19 HZ3 LYS 19 31.406 1.680 -4.056
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 4.865 1.905 -5.598
2 H3 PRO 1 HT2 PRO 1 3.598 3.013 -5.797
3 HA PRO 1 HA PRO 1 3.456 3.345 -3.633
4 HB2 PRO 1 HB2 PRO 1 3.576 0.521 -2.776
5 HB3 PRO 1 HB1 PRO 1 2.313 1.730 -2.487
6 HG2 PRO 1 HG2 PRO 1 2.033 -0.315 -4.238
7 HG3 PRO 1 HG1 PRO 1 1.221 1.246 -4.427
8 HD2 PRO 1 HD2 PRO 1 3.537 0.144 -5.941
9 HD3 PRO 1 HD1 PRO 1 2.311 1.321 -6.447
10 H MET 2 HN MET 2 5.621 4.194 -3.714
11 HA MET 2 HA MET 2 7.974 2.705 -3.393
12 HB2 MET 2 HB2 MET 2 8.790 4.954 -2.306
13 HB3 MET 2 HB1 MET 2 8.357 4.917 -4.015
14 HG2 MET 2 HG2 MET 2 6.126 5.459 -2.129
15 HG3 MET 2 HG1 MET 2 7.342 6.731 -2.276
16 HE1 MET 2 HE1 MET 2 4.001 5.666 -3.681
17 HE2 MET 2 HE2 MET 2 3.955 7.226 -4.498
18 HE3 MET 2 HE3 MET 2 4.503 7.129 -2.826
19 H ALA 3 HN ALA 3 5.450 3.247 -1.193
20 HA ALA 3 HA ALA 3 6.724 3.422 1.275
21 HB1 ALA 3 HB1 ALA 3 4.215 1.844 0.667
22 HB2 ALA 3 HB2 ALA 3 4.263 3.588 0.924
23 HB3 ALA 3 HB3 ALA 3 4.697 2.490 2.234
24 H ARG 4 HN ARG 4 5.991 0.550 -0.668
25 HA ARG 4 HA ARG 4 7.022 -1.287 1.300
26 HB2 ARG 4 HB2 ARG 4 7.090 -2.707 -1.037
27 HB3 ARG 4 HB1 ARG 4 5.670 -2.554 -0.003
28 HG2 ARG 4 HG2 ARG 4 4.963 -0.552 -1.300
29 HG3 ARG 4 HG1 ARG 4 6.350 -0.780 -2.366
30 HD2 ARG 4 HD2 ARG 4 5.131 -3.287 -2.328
31 HD3 ARG 4 HD1 ARG 4 3.776 -2.163 -2.347
32 HE ARG 4 HE ARG 4 5.660 -1.316 -4.271
33 HH11 ARG 4 HH11 ARG 4 5.290 -1.831 -6.475
34 HH12 ARG 4 HH12 ARG 4 4.207 -3.123 -6.877
35 HH21 ARG 4 HH21 ARG 4 3.468 -3.892 -3.577
36 HH22 ARG 4 HH22 ARG 4 3.177 -4.290 -5.237
37 H ASN 5 HN ASN 5 8.282 0.316 -1.569
38 HA ASN 5 HA ASN 5 10.672 -1.134 -1.841
39 HB2 ASN 5 HB2 ASN 5 9.753 1.586 -2.665
40 HB3 ASN 5 HB1 ASN 5 11.471 1.210 -2.769
41 HD21 ASN 5 HD21 ASN 5 10.585 1.592 -5.214
42 HD22 ASN 5 HD22 ASN 5 10.188 0.154 -6.026
43 H LYS 6 HN LYS 6 9.816 1.596 0.209
44 HA LYS 6 HA LYS 6 12.366 2.356 1.061
45 HB2 LYS 6 HB2 LYS 6 9.699 2.404 2.471
46 HB3 LYS 6 HB1 LYS 6 11.165 3.069 3.192
47 HG2 LYS 6 HG2 LYS 6 9.832 3.934 0.610
48 HG3 LYS 6 HG1 LYS 6 10.027 4.884 2.082
49 HD2 LYS 6 HD2 LYS 6 12.603 4.413 1.673
50 HD3 LYS 6 HD1 LYS 6 12.074 4.148 0.009
51 HE2 LYS 6 HE2 LYS 6 12.579 6.451 0.062
52 HE3 LYS 6 HE1 LYS 6 10.828 6.412 0.267
53 HZ1 LYS 6 HZ1 LYS 6 11.757 7.876 1.887
54 HZ2 LYS 6 HZ2 LYS 6 12.864 6.699 2.402
55 HZ3 LYS 6 HZ3 LYS 6 11.206 6.492 2.693
56 H LYS 7 HN LYS 7 10.355 -0.348 2.067
57 HA LYS 7 HA LYS 7 11.812 -1.057 4.400
58 HB2 LYS 7 HB2 LYS 7 10.037 -2.618 2.520
59 HB3 LYS 7 HB1 LYS 7 10.865 -3.397 3.869
60 HG2 LYS 7 HG2 LYS 7 8.542 -2.653 4.466
61 HG3 LYS 7 HG1 LYS 7 9.788 -1.900 5.464
62 HD2 LYS 7 HD2 LYS 7 9.692 0.139 4.173
63 HD3 LYS 7 HD1 LYS 7 8.622 -0.603 2.984
64 HE2 LYS 7 HE2 LYS 7 6.881 -0.869 4.762
65 HE3 LYS 7 HE1 LYS 7 7.964 -0.080 5.906
66 HZ1 LYS 7 HZ1 LYS 7 7.791 1.932 4.834
67 HZ2 LYS 7 HZ2 LYS 7 6.215 1.311 4.661
68 HZ3 LYS 7 HZ3 LYS 7 7.302 1.246 3.356
69 H LEU 8 HN LEU 8 12.059 -2.031 1.007
70 HA LEU 8 HA LEU 8 14.319 -3.754 1.452
71 HB2 LEU 8 HB2 LEU 8 13.482 -2.531 -1.183
72 HB3 LEU 8 HB1 LEU 8 14.370 -4.028 -0.914
73 HG LEU 8 HG LEU 8 11.783 -3.987 0.469
74 HD11 LEU 8 HD11 LEU 8 11.182 -4.556 -2.283
75 HD12 LEU 8 HD12 LEU 8 11.791 -2.909 -2.152
76 HD13 LEU 8 HD13 LEU 8 10.398 -3.411 -1.197
77 HD21 LEU 8 HD21 LEU 8 11.765 -6.230 -0.162
78 HD22 LEU 8 HD22 LEU 8 13.495 -5.898 -0.122
79 HD23 LEU 8 HD23 LEU 8 12.638 -5.921 -1.663
80 H LEU 9 HN LEU 9 13.773 -0.408 0.621
81 HA LEU 9 HA LEU 9 16.307 0.290 -0.328
82 HB2 LEU 9 HB2 LEU 9 14.071 1.675 -0.027
83 HB3 LEU 9 HB1 LEU 9 14.845 2.168 1.478
84 HG LEU 9 HG LEU 9 16.879 2.821 0.148
85 HD11 LEU 9 HD11 LEU 9 16.879 1.723 -1.877
86 HD12 LEU 9 HD12 LEU 9 16.098 3.216 -2.386
87 HD13 LEU 9 HD13 LEU 9 15.124 1.789 -2.036
88 HD21 LEU 9 HD21 LEU 9 15.687 4.801 -1.022
89 HD22 LEU 9 HD22 LEU 9 15.465 4.640 0.719
90 HD23 LEU 9 HD23 LEU 9 14.195 4.112 -0.386
91 H LYS 10 HN LYS 10 15.115 -0.196 2.945
92 HA LYS 10 HA LYS 10 17.288 0.898 4.370
93 HB2 LYS 10 HB2 LYS 10 15.492 -1.451 5.036
94 HB3 LYS 10 HB1 LYS 10 16.631 -0.721 6.170
95 HG2 LYS 10 HG2 LYS 10 15.373 1.514 5.472
96 HG3 LYS 10 HG1 LYS 10 14.074 0.394 5.059
97 HD2 LYS 10 HD2 LYS 10 15.464 0.556 7.762
98 HD3 LYS 10 HD1 LYS 10 13.861 1.190 7.394
99 HE2 LYS 10 HE2 LYS 10 13.168 -1.141 6.722
100 HE3 LYS 10 HE1 LYS 10 14.725 -1.710 7.321
101 HZ1 LYS 10 HZ1 LYS 10 12.432 -0.666 8.806
102 HZ2 LYS 10 HZ2 LYS 10 13.983 -0.372 9.431
103 HZ3 LYS 10 HZ3 LYS 10 13.455 -1.966 9.172
104 H LYS 11 HN LYS 11 16.826 -2.143 2.707
105 HA LYS 11 HA LYS 11 19.316 -3.225 3.700
106 HB2 LYS 11 HB2 LYS 11 17.153 -4.298 1.901
107 HB3 LYS 11 HB1 LYS 11 18.669 -5.156 2.165
108 HG2 LYS 11 HG2 LYS 11 17.307 -6.088 3.819
109 HG3 LYS 11 HG1 LYS 11 18.112 -4.798 4.709
110 HD2 LYS 11 HD2 LYS 11 16.063 -3.357 3.898
111 HD3 LYS 11 HD1 LYS 11 15.291 -4.929 3.695
112 HE2 LYS 11 HE2 LYS 11 16.427 -5.224 6.167
113 HE3 LYS 11 HE1 LYS 11 16.046 -3.502 6.181
114 HZ1 LYS 11 HZ1 LYS 11 14.271 -5.798 6.105
115 HZ2 LYS 11 HZ2 LYS 11 13.807 -4.474 5.155
116 HZ3 LYS 11 HZ3 LYS 11 14.047 -4.282 6.826
117 H LEU 12 HN LEU 12 17.969 -1.815 0.793
118 HA LEU 12 HA LEU 12 20.164 -2.495 -0.930
119 HB2 LEU 12 HB2 LEU 12 17.869 -0.566 -1.120
120 HB3 LEU 12 HB1 LEU 12 19.134 -0.600 -2.344
121 HG LEU 12 HG LEU 12 17.934 -3.223 -1.564
122 HD11 LEU 12 HD11 LEU 12 16.081 -2.856 -3.211
123 HD12 LEU 12 HD12 LEU 12 16.513 -1.148 -3.262
124 HD13 LEU 12 HD13 LEU 12 15.929 -1.865 -1.761
125 HD21 LEU 12 HD21 LEU 12 18.844 -1.921 -4.147
126 HD22 LEU 12 HD22 LEU 12 18.191 -3.554 -4.040
127 HD23 LEU 12 HD23 LEU 12 19.703 -3.159 -3.226
128 H ARG 13 HN ARG 13 19.419 0.226 1.161
129 HA ARG 13 HA ARG 13 21.224 2.084 0.100
130 HB2 ARG 13 HB2 ARG 13 21.064 3.216 2.286
131 HB3 ARG 13 HB1 ARG 13 19.488 2.739 1.650
132 HG2 ARG 13 HG2 ARG 13 19.183 1.797 3.694
133 HG3 ARG 13 HG1 ARG 13 20.201 0.502 3.069
134 HD2 ARG 13 HD2 ARG 13 21.100 1.224 5.190
135 HD3 ARG 13 HD1 ARG 13 22.203 1.741 3.925
136 HE ARG 13 HE ARG 13 20.359 3.817 4.387
137 HH11 ARG 13 HH11 ARG 13 21.001 5.598 5.620
138 HH12 ARG 13 HH12 ARG 13 22.328 5.455 6.723
139 HH21 ARG 13 HH21 ARG 13 22.912 2.117 6.018
140 HH22 ARG 13 HH22 ARG 13 23.413 3.492 6.943
141 H LEU 14 HN LEU 14 21.792 -0.338 2.669
142 HA LEU 14 HA LEU 14 24.364 0.594 3.329
143 HB2 LEU 14 HB2 LEU 14 24.726 -1.793 4.152
144 HB3 LEU 14 HB1 LEU 14 23.384 -0.897 4.861
145 HG LEU 14 HG LEU 14 22.312 -2.128 2.576
146 HD11 LEU 14 HD11 LEU 14 22.859 -4.547 3.127
147 HD12 LEU 14 HD12 LEU 14 24.204 -3.936 4.091
148 HD13 LEU 14 HD13 LEU 14 24.152 -3.634 2.353
149 HD21 LEU 14 HD21 LEU 14 21.179 -3.563 4.353
150 HD22 LEU 14 HD22 LEU 14 21.054 -1.823 4.595
151 HD23 LEU 14 HD23 LEU 14 22.212 -2.759 5.536
152 H LYS 15 HN LYS 15 23.317 -0.894 0.454
153 HA LYS 15 HA LYS 15 25.902 -2.104 -0.151
154 HB2 LYS 15 HB2 LYS 15 23.319 -1.815 -1.694
155 HB3 LYS 15 HB1 LYS 15 24.800 -2.403 -2.455
156 HG2 LYS 15 HG2 LYS 15 24.079 -4.441 -1.738
157 HG3 LYS 15 HG1 LYS 15 24.756 -3.933 -0.191
158 HD2 LYS 15 HD2 LYS 15 22.573 -3.026 0.484
159 HD3 LYS 15 HD1 LYS 15 21.877 -3.515 -1.062
160 HE2 LYS 15 HE2 LYS 15 22.936 -5.290 1.144
161 HE3 LYS 15 HE1 LYS 15 21.296 -5.230 0.500
162 HZ1 LYS 15 HZ1 LYS 15 23.645 -6.563 -0.533
163 HZ2 LYS 15 HZ2 LYS 15 22.710 -5.756 -1.703
164 HZ3 LYS 15 HZ3 LYS 15 22.006 -6.944 -0.724
165 H ILE 16 HN ILE 16 24.001 0.729 -1.097
166 HA ILE 16 HA ILE 16 26.132 1.638 -2.850
167 HB ILE 16 HB ILE 16 24.473 2.621 -3.957
168 HG12 ILE 16 HG12 ILE 16 24.855 4.543 -2.275
169 HG13 ILE 16 HG11 ILE 16 23.331 4.537 -3.151
170 HG21 ILE 16 HG21 ILE 16 23.143 0.725 -3.071
171 HG22 ILE 16 HG22 ILE 16 22.160 2.154 -3.387
172 HG23 ILE 16 HG23 ILE 16 22.614 1.747 -1.734
173 HD11 ILE 16 HD11 ILE 16 23.308 3.009 -0.630
174 HD12 ILE 16 HD12 ILE 16 22.104 4.116 -1.281
175 HD13 ILE 16 HD13 ILE 16 23.520 4.746 -0.438
176 H ALA 17 HN ALA 17 24.948 2.183 0.340
177 HA ALA 17 HA ALA 17 26.396 4.695 0.656
178 HB1 ALA 17 HB1 ALA 17 24.713 3.002 2.498
179 HB2 ALA 17 HB2 ALA 17 24.389 4.632 1.906
180 HB3 ALA 17 HB3 ALA 17 25.660 4.360 3.099
181 H PHE 18 HN PHE 18 27.596 1.818 0.223
182 HA PHE 18 HA PHE 18 29.391 1.785 2.564
183 HB2 PHE 18 HB2 PHE 18 28.117 -0.294 1.227
184 HB3 PHE 18 HB1 PHE 18 29.774 -0.370 0.631
185 HD1 PHE 18 HD1 PHE 18 27.634 -0.517 3.630
186 HD2 PHE 18 HD2 PHE 18 31.630 -0.843 2.101
187 HE1 PHE 18 HE1 PHE 18 28.373 -1.508 5.783
188 HE2 PHE 18 HE2 PHE 18 32.374 -1.827 4.249
189 HZ PHE 18 HZ PHE 18 30.746 -2.165 6.090
190 H LYS 19 HN LYS 19 29.306 3.154 -0.420
191 HA LYS 19 HA LYS 19 32.192 3.469 -0.463
192 HB2 LYS 19 HB2 LYS 19 32.670 2.490 -2.478
193 HB3 LYS 19 HB1 LYS 19 31.390 1.414 -1.930
194 HG2 LYS 19 HG2 LYS 19 30.866 3.831 -3.676
195 HG3 LYS 19 HG1 LYS 19 31.170 2.231 -4.328
196 HD2 LYS 19 HD2 LYS 19 28.985 2.828 -2.330
197 HD3 LYS 19 HD1 LYS 19 28.734 2.821 -4.071
198 HE2 LYS 19 HE2 LYS 19 29.426 0.531 -2.262
199 HE3 LYS 19 HE1 LYS 19 28.142 0.645 -3.463
200 HZ1 LYS 19 HZ1 LYS 19 30.249 0.944 -5.025
201 HZ2 LYS 19 HZ2 LYS 19 29.605 -0.581 -4.646
202 HZ3 LYS 19 HZ3 LYS 19 30.963 0.002 -3.806
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 2.644 -0.060 -3.397
2 H3 PRO 1 HT2 PRO 1 1.416 1.087 -3.657
3 HA PRO 1 HA PRO 1 2.199 2.474 -2.131
4 HB2 PRO 1 HB2 PRO 1 3.275 0.444 -0.263
5 HB3 PRO 1 HB1 PRO 1 2.205 1.823 0.059
6 HG2 PRO 1 HG2 PRO 1 1.406 -0.795 -0.082
7 HG3 PRO 1 HG1 PRO 1 0.347 0.602 -0.295
8 HD2 PRO 1 HD2 PRO 1 1.212 -1.340 -2.301
9 HD3 PRO 1 HD1 PRO 1 -0.022 -0.076 -2.444
10 H MET 2 HN MET 2 3.908 3.276 -3.293
11 HA MET 2 HA MET 2 6.252 1.938 -4.036
12 HB2 MET 2 HB2 MET 2 7.242 4.316 -4.057
13 HB3 MET 2 HB1 MET 2 5.857 4.011 -5.100
14 HG2 MET 2 HG2 MET 2 5.392 5.008 -2.301
15 HG3 MET 2 HG1 MET 2 5.888 6.145 -3.559
16 HE1 MET 2 HE1 MET 2 3.433 5.332 -1.628
17 HE2 MET 2 HE2 MET 2 1.878 5.330 -2.455
18 HE3 MET 2 HE3 MET 2 2.845 6.802 -2.405
19 H ALA 3 HN ALA 3 5.141 2.939 -1.006
20 HA ALA 3 HA ALA 3 7.453 3.580 0.408
21 HB1 ALA 3 HB1 ALA 3 6.112 2.327 2.316
22 HB2 ALA 3 HB2 ALA 3 4.824 2.335 1.114
23 HB3 ALA 3 HB3 ALA 3 5.524 3.856 1.666
24 H ARG 4 HN ARG 4 6.411 0.611 -0.985
25 HA ARG 4 HA ARG 4 7.687 -1.299 0.591
26 HB2 ARG 4 HB2 ARG 4 7.814 -2.667 -1.468
27 HB3 ARG 4 HB1 ARG 4 6.232 -1.908 -1.295
28 HG2 ARG 4 HG2 ARG 4 7.061 -0.040 -2.803
29 HG3 ARG 4 HG1 ARG 4 8.511 -1.006 -3.084
30 HD2 ARG 4 HD2 ARG 4 6.784 -2.904 -3.680
31 HD3 ARG 4 HD1 ARG 4 5.683 -1.554 -3.947
32 HE ARG 4 HE ARG 4 8.104 -1.034 -5.306
33 HH11 ARG 4 HH11 ARG 4 8.180 -1.400 -7.535
34 HH12 ARG 4 HH12 ARG 4 7.028 -2.449 -8.286
35 HH21 ARG 4 HH21 ARG 4 5.385 -3.200 -5.323
36 HH22 ARG 4 HH22 ARG 4 5.444 -3.476 -7.033
37 H ASN 5 HN ASN 5 8.958 1.005 -1.711
38 HA ASN 5 HA ASN 5 11.522 -0.114 -2.100
39 HB2 ASN 5 HB2 ASN 5 11.247 1.587 -3.599
40 HB3 ASN 5 HB1 ASN 5 10.229 2.522 -2.507
41 HD21 ASN 5 HD21 ASN 5 13.362 2.370 -3.848
42 HD22 ASN 5 HD22 ASN 5 14.110 3.488 -2.814
43 H LYS 6 HN LYS 6 10.265 2.224 0.253
44 HA LYS 6 HA LYS 6 12.690 2.715 1.588
45 HB2 LYS 6 HB2 LYS 6 9.866 2.804 2.665
46 HB3 LYS 6 HB1 LYS 6 11.278 3.534 3.435
47 HG2 LYS 6 HG2 LYS 6 10.509 4.199 0.584
48 HG3 LYS 6 HG1 LYS 6 9.828 5.078 1.952
49 HD2 LYS 6 HD2 LYS 6 11.992 5.847 2.657
50 HD3 LYS 6 HD1 LYS 6 12.814 4.750 1.547
51 HE2 LYS 6 HE2 LYS 6 10.991 7.018 0.686
52 HE3 LYS 6 HE1 LYS 6 12.750 7.110 0.716
53 HZ1 LYS 6 HZ1 LYS 6 12.168 4.801 -0.664
54 HZ2 LYS 6 HZ2 LYS 6 12.702 6.275 -1.319
55 HZ3 LYS 6 HZ3 LYS 6 11.041 5.938 -1.224
56 H LYS 7 HN LYS 7 10.302 0.157 1.950
57 HA LYS 7 HA LYS 7 11.266 -0.899 4.401
58 HB2 LYS 7 HB2 LYS 7 10.118 -2.731 2.330
59 HB3 LYS 7 HB1 LYS 7 9.829 -2.677 4.067
60 HG2 LYS 7 HG2 LYS 7 8.788 -0.709 2.011
61 HG3 LYS 7 HG1 LYS 7 7.840 -1.897 2.880
62 HD2 LYS 7 HD2 LYS 7 9.434 0.139 4.419
63 HD3 LYS 7 HD1 LYS 7 7.886 0.599 3.714
64 HE2 LYS 7 HE2 LYS 7 8.468 -1.253 5.972
65 HE3 LYS 7 HE1 LYS 7 7.115 -0.153 5.735
66 HZ1 LYS 7 HZ1 LYS 7 7.519 -2.817 4.528
67 HZ2 LYS 7 HZ2 LYS 7 6.361 -1.724 3.939
68 HZ3 LYS 7 HZ3 LYS 7 6.249 -2.316 5.528
69 H LEU 8 HN LEU 8 12.054 -1.567 1.017
70 HA LEU 8 HA LEU 8 14.087 -3.520 1.753
71 HB2 LEU 8 HB2 LEU 8 13.281 -2.317 -0.906
72 HB3 LEU 8 HB1 LEU 8 14.529 -3.547 -0.716
73 HG LEU 8 HG LEU 8 12.159 -4.376 0.707
74 HD11 LEU 8 HD11 LEU 8 10.536 -3.555 -0.629
75 HD12 LEU 8 HD12 LEU 8 11.118 -4.689 -1.843
76 HD13 LEU 8 HD13 LEU 8 11.690 -3.023 -1.851
77 HD21 LEU 8 HD21 LEU 8 14.154 -5.659 -0.427
78 HD22 LEU 8 HD22 LEU 8 13.142 -5.584 -1.867
79 HD23 LEU 8 HD23 LEU 8 12.549 -6.390 -0.415
80 H LEU 9 HN LEU 9 13.845 -0.133 1.015
81 HA LEU 9 HA LEU 9 16.427 0.448 0.153
82 HB2 LEU 9 HB2 LEU 9 14.469 2.053 0.313
83 HB3 LEU 9 HB1 LEU 9 14.832 2.199 2.033
84 HG LEU 9 HG LEU 9 17.216 2.809 1.347
85 HD11 LEU 9 HD11 LEU 9 17.754 2.644 -0.840
86 HD12 LEU 9 HD12 LEU 9 16.563 3.890 -1.209
87 HD13 LEU 9 HD13 LEU 9 16.096 2.192 -1.235
88 HD21 LEU 9 HD21 LEU 9 15.686 4.524 2.118
89 HD22 LEU 9 HD22 LEU 9 14.874 4.561 0.554
90 HD23 LEU 9 HD23 LEU 9 16.532 5.149 0.701
91 H LYS 10 HN LYS 10 15.243 -0.216 3.400
92 HA LYS 10 HA LYS 10 17.459 0.717 4.860
93 HB2 LYS 10 HB2 LYS 10 15.832 -1.762 5.483
94 HB3 LYS 10 HB1 LYS 10 16.761 -0.785 6.622
95 HG2 LYS 10 HG2 LYS 10 15.190 0.914 6.655
96 HG3 LYS 10 HG1 LYS 10 14.642 0.587 5.015
97 HD2 LYS 10 HD2 LYS 10 12.881 -0.099 6.495
98 HD3 LYS 10 HD1 LYS 10 13.641 -1.562 5.875
99 HE2 LYS 10 HE2 LYS 10 13.633 -2.103 8.104
100 HE3 LYS 10 HE1 LYS 10 15.166 -1.233 8.052
101 HZ1 LYS 10 HZ1 LYS 10 12.541 -0.299 9.023
102 HZ2 LYS 10 HZ2 LYS 10 13.728 0.812 8.536
103 HZ3 LYS 10 HZ3 LYS 10 14.044 -0.263 9.813
104 H LYS 11 HN LYS 11 16.951 -2.171 2.965
105 HA LYS 11 HA LYS 11 19.469 -3.334 3.800
106 HB2 LYS 11 HB2 LYS 11 17.226 -4.273 2.016
107 HB3 LYS 11 HB1 LYS 11 18.762 -5.135 2.130
108 HG2 LYS 11 HG2 LYS 11 17.043 -6.046 3.698
109 HG3 LYS 11 HG1 LYS 11 18.468 -5.435 4.533
110 HD2 LYS 11 HD2 LYS 11 17.325 -3.369 5.111
111 HD3 LYS 11 HD1 LYS 11 15.931 -3.820 4.130
112 HE2 LYS 11 HE2 LYS 11 16.895 -5.140 6.683
113 HE3 LYS 11 HE1 LYS 11 15.372 -4.278 6.427
114 HZ1 LYS 11 HZ1 LYS 11 14.716 -6.450 6.179
115 HZ2 LYS 11 HZ2 LYS 11 16.189 -6.952 5.503
116 HZ3 LYS 11 HZ3 LYS 11 15.081 -6.069 4.570
117 H LEU 12 HN LEU 12 17.923 -1.981 0.921
118 HA LEU 12 HA LEU 12 20.120 -2.404 -0.825
119 HB2 LEU 12 HB2 LEU 12 17.987 -0.267 -1.036
120 HB3 LEU 12 HB1 LEU 12 19.005 -0.871 -2.340
121 HG LEU 12 HG LEU 12 16.884 -2.418 -0.820
122 HD11 LEU 12 HD11 LEU 12 15.865 -2.638 -3.055
123 HD12 LEU 12 HD12 LEU 12 17.175 -1.679 -3.748
124 HD13 LEU 12 HD13 LEU 12 16.047 -0.943 -2.608
125 HD21 LEU 12 HD21 LEU 12 17.591 -4.140 -2.719
126 HD22 LEU 12 HD22 LEU 12 18.437 -4.104 -1.170
127 HD23 LEU 12 HD23 LEU 12 19.140 -3.309 -2.578
128 H ARG 13 HN ARG 13 19.382 0.143 1.485
129 HA ARG 13 HA ARG 13 21.053 2.140 0.436
130 HB2 ARG 13 HB2 ARG 13 21.077 3.053 2.763
131 HB3 ARG 13 HB1 ARG 13 19.468 2.702 2.141
132 HG2 ARG 13 HG2 ARG 13 19.118 1.452 3.971
133 HG3 ARG 13 HG1 ARG 13 20.310 0.310 3.348
134 HD2 ARG 13 HD2 ARG 13 22.101 1.729 4.439
135 HD3 ARG 13 HD1 ARG 13 20.814 2.667 5.186
136 HE ARG 13 HE ARG 13 20.352 -0.041 5.781
137 HH11 ARG 13 HH11 ARG 13 20.980 -0.846 7.817
138 HH12 ARG 13 HH12 ARG 13 22.199 -0.026 8.739
139 HH21 ARG 13 HH21 ARG 13 22.671 2.485 6.381
140 HH22 ARG 13 HH22 ARG 13 23.156 1.867 7.926
141 H LEU 14 HN LEU 14 21.827 -0.533 2.678
142 HA LEU 14 HA LEU 14 24.421 0.335 3.316
143 HB2 LEU 14 HB2 LEU 14 23.516 -2.533 2.991
144 HB3 LEU 14 HB1 LEU 14 24.896 -1.960 3.928
145 HG LEU 14 HG LEU 14 22.673 -0.464 4.825
146 HD11 LEU 14 HD11 LEU 14 21.192 -2.122 3.819
147 HD12 LEU 14 HD12 LEU 14 21.145 -2.277 5.572
148 HD13 LEU 14 HD13 LEU 14 22.071 -3.427 4.610
149 HD21 LEU 14 HD21 LEU 14 23.119 -1.646 6.941
150 HD22 LEU 14 HD22 LEU 14 24.633 -1.195 6.156
151 HD23 LEU 14 HD23 LEU 14 24.054 -2.860 6.073
152 H LYS 15 HN LYS 15 23.183 -0.888 0.350
153 HA LYS 15 HA LYS 15 25.793 -1.755 -0.604
154 HB2 LYS 15 HB2 LYS 15 23.068 -1.605 -1.908
155 HB3 LYS 15 HB1 LYS 15 24.524 -2.103 -2.771
156 HG2 LYS 15 HG2 LYS 15 23.745 -4.169 -2.041
157 HG3 LYS 15 HG1 LYS 15 24.820 -3.734 -0.711
158 HD2 LYS 15 HD2 LYS 15 22.724 -2.654 0.362
159 HD3 LYS 15 HD1 LYS 15 21.805 -3.594 -0.814
160 HE2 LYS 15 HE2 LYS 15 23.801 -4.729 1.174
161 HE3 LYS 15 HE1 LYS 15 22.045 -4.818 1.325
162 HZ1 LYS 15 HZ1 LYS 15 23.806 -6.177 -0.611
163 HZ2 LYS 15 HZ2 LYS 15 22.178 -5.895 -0.998
164 HZ3 LYS 15 HZ3 LYS 15 22.583 -6.828 0.360
165 H ILE 16 HN ILE 16 23.548 0.945 -1.147
166 HA ILE 16 HA ILE 16 25.492 2.190 -2.934
167 HB ILE 16 HB ILE 16 23.713 2.928 -4.040
168 HG12 ILE 16 HG12 ILE 16 23.675 4.861 -2.401
169 HG13 ILE 16 HG11 ILE 16 22.121 4.495 -3.143
170 HG21 ILE 16 HG21 ILE 16 22.774 0.765 -3.133
171 HG22 ILE 16 HG22 ILE 16 21.580 1.952 -3.657
172 HG23 ILE 16 HG23 ILE 16 21.911 1.734 -1.940
173 HD11 ILE 16 HD11 ILE 16 22.610 4.686 -0.411
174 HD12 ILE 16 HD12 ILE 16 22.552 2.947 -0.709
175 HD13 ILE 16 HD13 ILE 16 21.190 3.964 -1.168
176 H ALA 17 HN ALA 17 24.334 2.427 0.297
177 HA ALA 17 HA ALA 17 25.159 5.199 0.635
178 HB1 ALA 17 HB1 ALA 17 24.466 3.291 2.857
179 HB2 ALA 17 HB2 ALA 17 23.218 4.042 1.861
180 HB3 ALA 17 HB3 ALA 17 24.302 5.046 2.820
181 H PHE 18 HN PHE 18 26.791 2.295 0.487
182 HA PHE 18 HA PHE 18 28.862 3.241 2.371
183 HB2 PHE 18 HB2 PHE 18 27.763 0.600 1.846
184 HB3 PHE 18 HB1 PHE 18 29.508 0.628 1.622
185 HD1 PHE 18 HD1 PHE 18 27.350 2.595 3.983
186 HD2 PHE 18 HD2 PHE 18 30.444 -0.353 3.525
187 HE1 PHE 18 HE1 PHE 18 27.714 2.593 6.435
188 HE2 PHE 18 HE2 PHE 18 30.805 -0.350 5.977
189 HZ PHE 18 HZ PHE 18 29.444 1.124 7.433
190 H LYS 19 HN LYS 19 28.096 2.407 -0.887
191 HA LYS 19 HA LYS 19 30.327 3.752 -1.956
192 HB2 LYS 19 HB2 LYS 19 31.576 1.910 -2.930
193 HB3 LYS 19 HB1 LYS 19 31.546 1.761 -1.177
194 HG2 LYS 19 HG2 LYS 19 29.340 0.409 -2.633
195 HG3 LYS 19 HG1 LYS 19 30.943 -0.292 -2.832
196 HD2 LYS 19 HD2 LYS 19 29.700 0.362 -0.165
197 HD3 LYS 19 HD1 LYS 19 29.657 -1.227 -0.903
198 HE2 LYS 19 HE2 LYS 19 32.050 0.305 0.085
199 HE3 LYS 19 HE1 LYS 19 31.532 -1.321 0.515
200 HZ1 LYS 19 HZ1 LYS 19 32.886 -0.389 -1.923
201 HZ2 LYS 19 HZ2 LYS 19 31.893 -1.766 -1.993
202 HZ3 LYS 19 HZ3 LYS 19 33.228 -1.732 -0.944