Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26524 | 2klw RC | 16400 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 71.424 6.959 2.956
2 H2 ACE 1 H2 ACE 1 71.108 8.510 2.154
3 H3 ACE 1 H3 ACE 1 72.543 8.321 3.190
4 HA PRO 2 HA PRO 2 73.479 7.269 -1.322
5 HB2 PRO 2 HB3 PRO 2 74.949 9.431 -2.124
6 HB3 PRO 2 HB2 PRO 2 73.162 9.434 -2.086
7 HG2 PRO 2 HG2 PRO 2 75.065 10.499 0.033
8 HG3 PRO 2 HG3 PRO 2 73.668 11.335 -0.718
9 HD2 PRO 2 HD2 PRO 2 73.468 10.050 1.679
10 HD3 PRO 2 HD3 PRO 2 72.124 10.036 0.498
11 H LYS 3 H LYS 3 75.359 7.700 1.487
12 HA LYS 3 HA LYS 3 77.855 6.636 0.219
13 HB2 LYS 3 HB2 LYS 3 77.624 9.089 2.025
14 HB3 LYS 3 HB3 LYS 3 79.144 8.307 1.596
15 HG2 LYS 3 HG2 LYS 3 78.663 8.759 -0.833
16 HG3 LYS 3 HG3 LYS 3 77.222 9.647 -0.340
17 HD2 LYS 3 HD2 LYS 3 78.886 11.300 -0.693
18 HD3 LYS 3 HD3 LYS 3 78.667 11.163 1.047
19 HE2 LYS 3 HE2 LYS 3 81.007 11.347 0.696
20 HE3 LYS 3 HE3 LYS 3 80.722 9.660 1.120
21 HZ1 LYS 3 HZ1 LYS 3 80.823 9.154 -1.305
22 HZ2 LYS 3 HZ2 LYS 3 81.152 10.726 -1.628
23 HZ3 LYS 3 HZ3 LYS 3 82.219 9.822 -0.777
24 H GLY 4 H GLY 4 79.492 6.108 1.753
25 HA2 GLY 4 HA2 GLY 4 78.773 5.167 4.457
26 HA3 GLY 4 HA3 GLY 4 79.269 3.951 3.272
27 HA PRO 5 HA PRO 5 82.800 5.930 5.668
28 HB2 PRO 5 HB2 PRO 5 84.057 3.621 6.575
29 HB3 PRO 5 HB3 PRO 5 82.742 4.493 7.414
30 HG2 PRO 5 HG2 PRO 5 82.531 2.059 5.635
31 HG3 PRO 5 HG3 PRO 5 81.729 2.363 7.204
32 HD2 PRO 5 HD2 PRO 5 80.443 2.732 4.838
33 HD3 PRO 5 HD3 PRO 5 80.163 3.829 6.223
34 H LYS 6 H LYS 6 84.560 6.637 4.699
35 HA LYS 6 HA LYS 6 85.751 5.631 2.297
36 HB2 LYS 6 HB2 LYS 6 85.936 8.014 3.034
37 HB3 LYS 6 HB3 LYS 6 86.744 7.512 4.510
38 HG2 LYS 6 HG2 LYS 6 88.734 6.883 3.372
39 HG3 LYS 6 HG3 LYS 6 87.965 6.992 1.779
40 HD2 LYS 6 HD2 LYS 6 87.782 9.373 1.913
41 HD3 LYS 6 HD3 LYS 6 88.245 9.411 3.618
42 HE2 LYS 6 HE2 LYS 6 90.098 8.346 1.440
43 HE3 LYS 6 HE3 LYS 6 90.018 10.063 1.844
44 HZ1 LYS 6 HZ1 LYS 6 90.723 7.936 3.801
45 HZ2 LYS 6 HZ2 LYS 6 91.790 8.949 3.073
46 HZ3 LYS 6 HZ3 LYS 6 90.674 9.547 4.108
47 H GLY 7 H GLY 7 87.595 4.510 1.860
48 HA2 GLY 7 HA2 GLY 7 88.172 2.307 3.590
49 HA3 GLY 7 HA3 GLY 7 88.982 2.678 2.073
50 HA PRO 8 HA PRO 8 91.741 3.623 5.842
51 HB2 PRO 8 HB2 PRO 8 93.108 1.301 6.283
52 HB3 PRO 8 HB3 PRO 8 91.470 1.598 6.941
53 HG2 PRO 8 HG2 PRO 8 92.200 0.125 4.385
54 HG3 PRO 8 HG3 PRO 8 91.153 -0.454 5.726
55 HD2 PRO 8 HD2 PRO 8 90.063 0.688 3.522
56 HD3 PRO 8 HD3 PRO 8 89.421 1.047 5.145
57 H LYS 9 H LYS 9 93.991 3.994 5.892
58 HA LYS 9 HA LYS 9 95.375 4.456 3.417
59 HB2 LYS 9 HB2 LYS 9 95.666 5.752 5.535
60 HB3 LYS 9 HB3 LYS 9 96.395 4.331 6.289
61 HG2 LYS 9 HG2 LYS 9 98.270 4.422 4.688
62 HG3 LYS 9 HG3 LYS 9 97.533 5.811 3.871
63 HD2 LYS 9 HD2 LYS 9 97.804 7.185 5.885
64 HD3 LYS 9 HD3 LYS 9 98.280 5.767 6.824
65 HE2 LYS 9 HE2 LYS 9 100.278 6.938 6.390
66 HE3 LYS 9 HE3 LYS 9 100.306 5.491 5.385
67 HZ1 LYS 9 HZ1 LYS 9 99.607 8.224 4.430
68 HZ2 LYS 9 HZ2 LYS 9 101.053 7.477 4.225
69 HZ3 LYS 9 HZ3 LYS 9 99.708 6.888 3.465
70 H GLY 10 H GLY 10 97.000 3.392 2.384
71 HA2 GLY 10 HA2 GLY 10 97.285 0.523 2.745
72 HA3 GLY 10 HA3 GLY 10 98.137 1.523 1.577
73 HA PRO 11 HA PRO 11 100.876 0.249 5.266
74 HB2 PRO 11 HB2 PRO 11 102.221 -1.945 4.355
75 HB3 PRO 11 HB3 PRO 11 100.578 -2.045 5.058
76 HG2 PRO 11 HG2 PRO 11 101.328 -1.858 2.118
77 HG3 PRO 11 HG3 PRO 11 100.262 -3.071 2.902
78 HD2 PRO 11 HD2 PRO 11 99.212 -0.879 1.694
79 HD3 PRO 11 HD3 PRO 11 98.543 -1.473 3.240
80 H LYS 12 H LYS 12 103.120 0.529 5.528
81 HA LYS 12 HA LYS 12 104.564 2.217 3.743
82 HB2 LYS 12 HB2 LYS 12 104.886 1.965 6.228
83 HB3 LYS 12 HB3 LYS 12 105.647 0.392 5.937
84 HG2 LYS 12 HG2 LYS 12 107.388 1.532 4.563
85 HG3 LYS 12 HG3 LYS 12 106.609 3.092 4.889
86 HD2 LYS 12 HD2 LYS 12 106.994 2.621 7.374
87 HD3 LYS 12 HD3 LYS 12 107.971 1.219 6.876
88 HE2 LYS 12 HE2 LYS 12 109.381 2.804 5.477
89 HE3 LYS 12 HE3 LYS 12 108.433 4.146 6.130
90 HZ1 LYS 12 HZ1 LYS 12 110.327 4.008 7.492
91 HZ2 LYS 12 HZ2 LYS 12 109.202 3.246 8.405
92 HZ3 LYS 12 HZ3 LYS 12 110.339 2.386 7.555
93 H GLY 13 H GLY 13 106.136 1.863 2.236
94 HA2 GLY 13 HA2 GLY 13 106.098 -0.594 0.737
95 HA3 GLY 13 HA3 GLY 13 107.143 0.791 0.446
96 HA PRO 14 HA PRO 14 109.539 -2.907 2.176
97 HB2 PRO 14 HB2 PRO 14 110.733 -3.940 -0.042
98 HB3 PRO 14 HB3 PRO 14 109.039 -4.319 0.398
99 HG2 PRO 14 HG2 PRO 14 110.023 -2.213 -1.551
100 HG3 PRO 14 HG3 PRO 14 108.778 -3.472 -1.834
101 HD2 PRO 14 HD2 PRO 14 108.095 -0.933 -1.108
102 HD3 PRO 14 HD3 PRO 14 107.198 -2.347 -0.487
103 H LYS 15 H LYS 15 111.721 -2.988 2.671
104 HA LYS 15 HA LYS 15 113.310 -0.639 2.548
105 HB2 LYS 15 HB2 LYS 15 113.468 -2.448 4.269
106 HB3 LYS 15 HB3 LYS 15 114.119 -3.543 3.046
107 HG2 LYS 15 HG2 LYS 15 116.117 -2.150 2.796
108 HG3 LYS 15 HG3 LYS 15 115.454 -0.939 3.914
109 HD2 LYS 15 HD2 LYS 15 115.556 -2.521 5.770
110 HD3 LYS 15 HD3 LYS 15 115.925 -3.852 4.670
111 HE2 LYS 15 HE2 LYS 15 117.961 -3.276 5.742
112 HE3 LYS 15 HE3 LYS 15 118.079 -2.773 4.057
113 HZ1 LYS 15 HZ1 LYS 15 117.493 -0.960 6.345
114 HZ2 LYS 15 HZ2 LYS 15 118.944 -1.132 5.597
115 HZ3 LYS 15 HZ3 LYS 15 117.676 -0.468 4.778
116 H GLY 16 H GLY 16 114.975 0.046 1.259
117 HA2 GLY 16 HA2 GLY 16 115.120 -0.849 -1.470
118 HA3 GLY 16 HA3 GLY 16 116.156 0.352 -0.707
119 HA PRO 17 HA PRO 17 118.417 -3.794 -1.345
120 HB2 PRO 17 HB2 PRO 17 119.637 -3.539 -3.774
121 HB3 PRO 17 HB3 PRO 17 117.948 -4.102 -3.589
122 HG2 PRO 17 HG2 PRO 17 118.914 -1.298 -4.225
123 HG3 PRO 17 HG3 PRO 17 117.650 -2.249 -5.071
124 HD2 PRO 17 HD2 PRO 17 117.036 -0.396 -3.155
125 HD3 PRO 17 HD3 PRO 17 116.099 -1.910 -3.335
126 H LYS 18 H LYS 18 120.617 -4.150 -0.991
127 HA LYS 18 HA LYS 18 122.161 -2.088 0.240
128 HB2 LYS 18 HB2 LYS 18 122.213 -4.535 0.750
129 HB3 LYS 18 HB3 LYS 18 122.985 -4.831 -0.812
130 HG2 LYS 18 HG2 LYS 18 124.965 -3.581 -0.124
131 HG3 LYS 18 HG3 LYS 18 124.189 -3.109 1.403
132 HD2 LYS 18 HD2 LYS 18 124.180 -5.383 2.198
133 HD3 LYS 18 HD3 LYS 18 124.625 -6.012 0.593
134 HE2 LYS 18 HE2 LYS 18 126.786 -4.832 0.705
135 HE3 LYS 18 HE3 LYS 18 126.389 -4.205 2.314
136 HZ1 LYS 18 HZ1 LYS 18 126.476 -6.420 3.188
137 HZ2 LYS 18 HZ2 LYS 18 126.498 -7.113 1.700
138 HZ3 LYS 18 HZ3 LYS 18 127.802 -6.284 2.207
139 H GLY 19 H GLY 19 124.086 -1.079 -0.315
140 HA2 GLY 19 HA2 GLY 19 124.371 -0.262 -3.082
141 HA3 GLY 19 HA3 GLY 19 125.383 0.230 -1.732
142 HA PRO 20 HA PRO 20 127.655 -2.879 -4.514
143 HB2 PRO 20 HB2 PRO 20 129.069 -1.307 -6.224
144 HB3 PRO 20 HB3 PRO 20 127.346 -1.703 -6.502
145 HG2 PRO 20 HG2 PRO 20 128.487 0.797 -5.208
146 HG3 PRO 20 HG3 PRO 20 127.298 0.696 -6.546
147 HD2 PRO 20 HD2 PRO 20 126.510 1.015 -3.949
148 HD3 PRO 20 HD3 PRO 20 125.572 0.022 -5.095
149 H LYS 21 H LYS 21 129.909 -3.415 -4.453
150 HA LYS 21 HA LYS 21 131.343 -2.698 -2.107
151 HB2 LYS 21 HB2 LYS 21 131.556 -4.833 -3.456
152 HB3 LYS 21 HB3 LYS 21 132.462 -3.916 -4.670
153 HG2 LYS 21 HG2 LYS 21 134.086 -3.290 -2.846
154 HG3 LYS 21 HG3 LYS 21 133.214 -4.334 -1.738
155 HD2 LYS 21 HD2 LYS 21 135.128 -5.531 -2.448
156 HD3 LYS 21 HD3 LYS 21 133.766 -6.268 -3.317
157 HE2 LYS 21 HE2 LYS 21 134.325 -4.947 -5.332
158 HE3 LYS 21 HE3 LYS 21 135.601 -4.090 -4.445
159 HZ1 LYS 21 HZ1 LYS 21 136.872 -6.109 -4.298
160 HZ2 LYS 21 HZ2 LYS 21 135.635 -7.037 -4.885
161 HZ3 LYS 21 HZ3 LYS 21 136.409 -5.971 -5.857
162 H GLY 22 H GLY 22 133.044 -1.353 -1.665
163 HA2 GLY 22 HA2 GLY 22 133.483 1.022 -3.264
164 HA3 GLY 22 HA3 GLY 22 134.354 0.558 -1.807
165 HA PRO 23 HA PRO 23 137.052 -0.067 -5.667
166 HB2 PRO 23 HB2 PRO 23 138.528 2.221 -5.775
167 HB3 PRO 23 HB3 PRO 23 136.879 2.113 -6.464
168 HG2 PRO 23 HG2 PRO 23 137.682 3.177 -3.734
169 HG3 PRO 23 HG3 PRO 23 136.655 3.977 -4.968
170 HD2 PRO 23 HD2 PRO 23 135.565 2.569 -2.903
171 HD3 PRO 23 HD3 PRO 23 134.843 2.530 -4.537
172 H LYS 24 H LYS 24 139.309 -0.515 -5.718
173 HA LYS 24 HA LYS 24 140.566 -1.481 -3.353
174 HB2 LYS 24 HB2 LYS 24 140.991 -2.274 -5.685
175 HB3 LYS 24 HB3 LYS 24 141.706 -0.711 -6.083
176 HG2 LYS 24 HG2 LYS 24 143.546 -1.106 -4.511
177 HG3 LYS 24 HG3 LYS 24 142.822 -2.646 -4.004
178 HD2 LYS 24 HD2 LYS 24 143.126 -3.569 -6.246
179 HD3 LYS 24 HD3 LYS 24 143.648 -1.987 -6.870
180 HE2 LYS 24 HE2 LYS 24 145.600 -2.021 -5.341
181 HE3 LYS 24 HE3 LYS 24 145.109 -3.616 -4.742
182 HZ1 LYS 24 HZ1 LYS 24 145.838 -3.009 -7.565
183 HZ2 LYS 24 HZ2 LYS 24 146.815 -3.753 -6.486
184 HZ3 LYS 24 HZ3 LYS 24 145.437 -4.491 -6.989
185 H GLY 25 H GLY 25 142.202 -0.752 -2.057
186 HA2 GLY 25 HA2 GLY 25 142.450 2.119 -1.646
187 HA3 GLY 25 HA3 GLY 25 143.238 0.849 -0.719
188 HA PRO 26 HA PRO 26 146.239 3.085 -3.641
189 HB2 PRO 26 HB2 PRO 26 147.521 4.833 -1.984
190 HB3 PRO 26 HB3 PRO 26 145.931 5.195 -2.725
191 HG2 PRO 26 HG2 PRO 26 146.480 4.079 0.043
192 HG3 PRO 26 HG3 PRO 26 145.452 5.485 -0.391
193 HD2 PRO 26 HD2 PRO 26 144.381 3.012 0.007
194 HD3 PRO 26 HD3 PRO 26 143.759 4.093 -1.272
195 H LYS 27 H LYS 27 148.518 2.835 -3.815
196 HA LYS 27 HA LYS 27 149.689 0.538 -2.574
197 HB2 LYS 27 HB2 LYS 27 150.300 1.451 -4.843
198 HB3 LYS 27 HB3 LYS 27 151.023 2.865 -4.067
199 HG2 LYS 27 HG2 LYS 27 152.717 1.490 -2.993
200 HG3 LYS 27 HG3 LYS 27 151.934 -0.003 -3.557
201 HD2 LYS 27 HD2 LYS 27 152.441 0.558 -5.883
202 HD3 LYS 27 HD3 LYS 27 153.115 2.130 -5.390
203 HE2 LYS 27 HE2 LYS 27 154.848 0.978 -4.047
204 HE3 LYS 27 HE3 LYS 27 154.185 -0.596 -4.508
205 HZ1 LYS 27 HZ1 LYS 27 155.302 1.381 -6.432
206 HZ2 LYS 27 HZ2 LYS 27 156.127 0.099 -5.856
207 HZ3 LYS 27 HZ3 LYS 27 154.798 -0.138 -6.803
208 H GLY 28 H GLY 28 151.166 0.272 -0.950
209 HA2 GLY 28 HA2 GLY 28 150.804 1.898 1.308
210 HA3 GLY 28 HA3 GLY 28 151.985 0.602 1.179
211 HA PRO 29 HA PRO 29 153.896 4.977 1.438
212 HB2 PRO 29 HB2 PRO 29 154.592 5.137 4.106
213 HB3 PRO 29 HB3 PRO 29 153.013 5.646 3.442
214 HG2 PRO 29 HG2 PRO 29 153.720 3.021 4.778
215 HG3 PRO 29 HG3 PRO 29 152.295 4.070 5.066
216 HD2 PRO 29 HD2 PRO 29 152.173 1.877 3.453
217 HD3 PRO 29 HD3 PRO 29 151.255 3.368 3.079
218 H LYS 30 H LYS 30 156.081 5.564 1.651
219 HA LYS 30 HA LYS 30 158.125 3.642 2.496
220 HB2 LYS 30 HB2 LYS 30 159.245 3.477 0.341
221 HB3 LYS 30 HB3 LYS 30 157.580 2.933 0.165
222 HG2 LYS 30 HG2 LYS 30 156.975 5.202 -0.761
223 HG3 LYS 30 HG3 LYS 30 158.685 5.663 -0.665
224 HD2 LYS 30 HD2 LYS 30 159.305 3.898 -2.230
225 HD3 LYS 30 HD3 LYS 30 157.626 3.302 -2.262
226 HE2 LYS 30 HE2 LYS 30 156.837 5.395 -3.230
227 HE3 LYS 30 HE3 LYS 30 158.451 6.114 -3.115
228 HZ1 LYS 30 HZ1 LYS 30 159.250 4.555 -4.743
229 HZ2 LYS 30 HZ2 LYS 30 157.868 3.677 -4.726
230 HZ3 LYS 30 HZ3 LYS 30 157.881 5.199 -5.361
231 H GLY 31 H GLY 31 160.343 4.504 2.242
232 HA2 GLY 31 HA2 GLY 31 161.978 6.116 2.135
233 HA3 GLY 31 HA3 GLY 31 160.772 7.306 1.657
234 HN1 NH2 32 HN1 NH2 32 159.446 6.305 4.500
235 HN2 NH2 32 HN2 NH2 32 160.292 7.368 5.605
236 H1 ACE 33 H1 ACE 33 76.259 5.062 -4.324
237 H2 ACE 33 H2 ACE 33 75.271 3.655 -4.785
238 H3 ACE 33 H3 ACE 33 74.501 5.239 -4.518
239 H ASP 34 H ASP 34 76.872 3.289 -2.755
240 HA ASP 34 HA ASP 34 75.707 3.937 -0.169
241 HB2 ASP 34 HB2 ASP 34 74.231 2.101 -0.889
242 HB3 ASP 34 HB3 ASP 34 75.619 1.043 -1.096
243 HA HYP 35 HA HYP 35 79.992 1.709 0.416
244 HB2 HYP 35 HB2 HYP 35 81.147 2.229 -2.302
245 HB3 HYP 35 HB3 HYP 35 81.505 0.898 -1.166
246 HG HYP 35 HG HYP 35 79.918 0.566 -3.368
247 HD22 HYP 35 HD22 HYP 35 78.357 2.248 -3.029
248 HD23 HYP 35 HD23 HYP 35 77.508 0.928 -2.177
249 HD1 HYP 35 HD1 HYP 35 79.975 -0.650 -0.898
250 H GLY 36 H GLY 36 81.981 2.856 0.914
251 HA2 GLY 36 HA2 GLY 36 81.975 5.799 0.495
252 HA3 GLY 36 HA3 GLY 36 82.992 4.882 1.591
253 H ASP 37 H ASP 37 84.169 6.814 0.309
254 HA ASP 37 HA ASP 37 85.257 6.269 -2.257
255 HB2 ASP 37 HB2 ASP 37 86.058 8.113 0.032
256 HB3 ASP 37 HB3 ASP 37 86.821 8.141 -1.551
257 HA HYP 38 HA HYP 38 88.864 3.692 -1.471
258 HB2 HYP 38 HB2 HYP 38 90.437 5.707 -3.050
259 HB3 HYP 38 HB3 HYP 38 90.372 3.935 -3.246
260 HG HYP 38 HG HYP 38 89.055 5.648 -4.925
261 HD22 HYP 38 HD22 HYP 38 87.774 6.876 -3.397
262 HD23 HYP 38 HD23 HYP 38 86.621 5.547 -3.707
263 HD1 HYP 38 HD1 HYP 38 87.559 3.967 -5.279
264 H GLY 39 H GLY 39 90.716 3.550 -0.202
265 HA2 GLY 39 HA2 GLY 39 91.371 5.761 1.619
266 HA3 GLY 39 HA3 GLY 39 92.025 4.129 1.638
267 H ASP 40 H ASP 40 93.657 6.256 2.132
268 HA ASP 40 HA ASP 40 94.947 7.310 -0.200
269 HB2 ASP 40 HB2 ASP 40 95.511 7.416 2.786
270 HB3 ASP 40 HB3 ASP 40 96.452 8.290 1.588
271 HA HYP 41 HA HYP 41 98.407 4.502 -0.855
272 HB2 HYP 41 HB2 HYP 41 100.102 6.980 -0.956
273 HB3 HYP 41 HB3 HYP 41 100.031 5.624 -2.112
274 HG HYP 41 HG HYP 41 98.837 8.060 -2.573
275 HD22 HYP 41 HD22 HYP 41 97.395 8.254 -0.764
276 HD23 HYP 41 HD23 HYP 41 96.321 7.295 -1.820
277 HD1 HYP 41 HD1 HYP 41 98.659 6.437 -4.099
278 H GLY 42 H GLY 42 100.192 3.596 0.178
279 HA2 GLY 42 HA2 GLY 42 100.833 4.378 2.932
280 HA3 GLY 42 HA3 GLY 42 101.514 3.045 2.015
281 H ASP 43 H ASP 43 103.078 4.589 3.665
282 HA ASP 43 HA ASP 43 104.478 6.668 2.194
283 HB2 ASP 43 HB2 ASP 43 104.684 5.414 4.940
284 HB3 ASP 43 HB3 ASP 43 105.963 6.454 4.340
285 HA HYP 44 HA HYP 44 107.731 4.420 0.251
286 HB2 HYP 44 HB2 HYP 44 109.747 6.265 1.499
287 HB3 HYP 44 HB3 HYP 44 109.527 5.837 -0.219
288 HG HYP 44 HG HYP 44 108.702 8.232 0.798
289 HD22 HYP 44 HD22 HYP 44 107.362 7.483 2.577
290 HD23 HYP 44 HD23 HYP 44 106.119 7.590 1.300
291 HD1 HYP 44 HD1 HYP 44 107.116 8.258 -0.825
292 H GLY 45 H GLY 45 109.270 2.815 0.546
293 HA2 GLY 45 HA2 GLY 45 109.793 1.664 3.135
294 HA3 GLY 45 HA3 GLY 45 110.571 1.249 1.622
295 H ASP 46 H ASP 46 111.888 1.255 4.092
296 HA ASP 46 HA ASP 46 113.451 3.622 4.519
297 HB2 ASP 46 HB2 ASP 46 113.684 0.710 5.368
298 HB3 ASP 46 HB3 ASP 46 114.824 1.947 5.866
299 HA HYP 47 HA HYP 47 116.634 3.169 1.384
300 HB2 HYP 47 HB2 HYP 47 118.605 3.801 3.558
301 HB3 HYP 47 HB3 HYP 47 118.445 4.538 1.942
302 HG HYP 47 HG HYP 47 117.576 5.773 4.227
303 HD22 HYP 47 HD22 HYP 47 116.094 4.183 5.093
304 HD23 HYP 47 HD23 HYP 47 114.949 5.037 4.019
305 HD1 HYP 47 HD1 HYP 47 116.275 6.966 2.903
306 H GLY 48 H GLY 48 118.311 1.806 0.664
307 HA2 GLY 48 HA2 GLY 48 118.839 -0.693 2.087
308 HA3 GLY 48 HA3 GLY 48 119.601 -0.145 0.608
309 H ASP 49 H ASP 49 120.962 -1.420 2.687
310 HA ASP 49 HA ASP 49 122.406 0.494 4.307
311 HB2 ASP 49 HB2 ASP 49 122.535 -2.492 3.832
312 HB3 ASP 49 HB3 ASP 49 123.811 -1.672 4.704
313 HA HYP 50 HA HYP 50 125.874 1.514 1.660
314 HB2 HYP 50 HB2 HYP 50 127.642 0.757 3.968
315 HB3 HYP 50 HB3 HYP 50 127.655 2.247 2.988
316 HG HYP 50 HG HYP 50 126.596 2.137 5.523
317 HD22 HYP 50 HD22 HYP 50 124.997 0.461 5.297
318 HD23 HYP 50 HD23 HYP 50 123.992 1.836 4.763
319 HD1 HYP 50 HD1 HYP 50 126.523 4.048 4.331
320 H GLY 51 H GLY 51 127.376 0.521 0.322
321 HA2 GLY 51 HA2 GLY 51 127.533 -2.355 0.165
322 HA3 GLY 51 HA3 GLY 51 128.511 -1.199 -0.729
323 H ASP 52 H ASP 52 129.679 -3.544 0.046
324 HA ASP 52 HA ASP 52 131.014 -3.386 2.567
325 HB2 ASP 52 HB2 ASP 52 131.252 -5.100 0.106
326 HB3 ASP 52 HB3 ASP 52 132.479 -5.186 1.354
327 HA HYP 53 HA HYP 53 134.586 -0.829 1.668
328 HB2 HYP 53 HB2 HYP 53 136.198 -2.834 3.188
329 HB3 HYP 53 HB3 HYP 53 136.075 -1.072 3.430
330 HG HYP 53 HG HYP 53 134.856 -2.904 5.079
331 HD22 HYP 53 HD22 HYP 53 133.500 -4.043 3.554
332 HD23 HYP 53 HD23 HYP 53 132.377 -2.718 3.971
333 HD1 HYP 53 HD1 HYP 53 133.407 -1.256 5.615
334 H GLY 54 H GLY 54 136.181 -0.735 0.142
335 HA2 GLY 54 HA2 GLY 54 136.623 -2.827 -1.755
336 HA3 GLY 54 HA3 GLY 54 137.520 -1.330 -1.625
337 H ASP 55 H ASP 55 138.751 -3.512 -2.519
338 HA ASP 55 HA ASP 55 139.997 -5.178 -0.597
339 HB2 ASP 55 HB2 ASP 55 140.599 -4.444 -3.483
340 HB3 ASP 55 HB3 ASP 55 141.551 -5.611 -2.576
341 HA HYP 56 HA HYP 56 143.391 -2.637 0.948
342 HB2 HYP 56 HB2 HYP 56 145.012 -5.152 0.721
343 HB3 HYP 56 HB3 HYP 56 144.844 -4.044 2.111
344 HG HYP 56 HG HYP 56 143.565 -6.474 1.985
345 HD22 HYP 56 HD22 HYP 56 142.351 -6.259 0.007
346 HD23 HYP 56 HD23 HYP 56 141.162 -5.523 1.121
347 HD1 HYP 56 HD1 HYP 56 143.165 -5.249 3.772
348 H GLY 57 H GLY 57 145.116 -1.498 0.122
349 HA2 GLY 57 HA2 GLY 57 145.836 -1.675 -2.671
350 HA3 GLY 57 HA3 GLY 57 146.607 -0.676 -1.447
351 H ASP 58 H ASP 58 148.123 -1.849 -3.457
352 HA ASP 58 HA ASP 58 149.400 -4.279 -2.559
353 HB2 ASP 58 HB2 ASP 58 149.937 -2.193 -4.688
354 HB3 ASP 58 HB3 ASP 58 151.139 -3.409 -4.306
355 HA HYP 59 HA HYP 59 152.339 -2.823 0.422
356 HB2 HYP 59 HB2 HYP 59 154.494 -4.189 -1.159
357 HB3 HYP 59 HB3 HYP 59 154.110 -4.341 0.573
358 HG HYP 59 HG HYP 59 153.447 -6.239 -1.306
359 HD22 HYP 59 HD22 HYP 59 152.067 -5.071 -2.754
360 HD23 HYP 59 HD23 HYP 59 150.818 -5.452 -1.537
361 HD1 HYP 59 HD1 HYP 59 151.861 -6.924 0.132
362 H GLY 60 H GLY 60 153.863 -1.191 0.787
363 HA2 GLY 60 HA2 GLY 60 154.772 0.599 -1.312
364 HA3 GLY 60 HA3 GLY 60 155.383 0.539 0.333
365 H ASP 61 H ASP 61 157.082 0.962 -1.853
366 HA ASP 61 HA ASP 61 158.201 -1.404 -2.943
367 HB2 ASP 61 HB2 ASP 61 159.191 1.455 -2.719
368 HB3 ASP 61 HB3 ASP 61 159.993 0.199 -3.639
369 HA HYP 62 HA HYP 62 160.360 -2.948 0.621
370 HB2 HYP 62 HB2 HYP 62 162.331 -3.912 -1.466
371 HB3 HYP 62 HB3 HYP 62 161.706 -4.787 -0.037
372 HG HYP 62 HG HYP 62 160.661 -5.197 -2.517
373 HD22 HYP 62 HD22 HYP 62 160.157 -3.033 -3.217
374 HD23 HYP 62 HD23 HYP 62 158.632 -3.366 -2.348
375 HD1 HYP 62 HD1 HYP 62 159.701 -6.136 -0.691
376 H GLY 63 H GLY 63 161.947 -2.441 2.050
377 HA2 GLY 63 HA2 GLY 63 164.519 -1.283 1.352
378 HA3 GLY 63 HA3 GLY 63 163.388 -0.069 1.964
379 HN1 NH2 64 HN1 NH2 64 163.682 -3.503 3.084
380 HN2 NH2 64 HN2 NH2 64 164.154 -3.066 4.715
381 H1 ACE 65 H1 ACE 65 80.509 -3.984 2.514
382 H2 ACE 65 H2 ACE 65 79.101 -3.948 1.426
383 H3 ACE 65 H3 ACE 65 80.750 -3.933 0.757
384 HA PRO 66 HA PRO 66 79.128 0.497 2.136
385 HB2 PRO 66 HB2 PRO 66 79.613 0.262 5.088
386 HB3 PRO 66 HB3 PRO 66 78.366 1.184 4.204
387 HG2 PRO 66 HG2 PRO 66 77.769 -1.181 5.428
388 HG3 PRO 66 HG3 PRO 66 77.055 -0.750 3.842
389 HD2 PRO 66 HD2 PRO 66 79.370 -2.601 4.416
390 HD3 PRO 66 HD3 PRO 66 78.022 -2.792 3.258
391 HA HYP 67 HA HYP 67 83.667 1.192 3.960
392 HB2 HYP 67 HB2 HYP 67 84.658 -1.577 3.310
393 HB3 HYP 67 HB3 HYP 67 85.255 -0.427 4.542
394 HG HYP 67 HG HYP 67 83.419 -0.897 5.990
395 HD22 HYP 67 HD22 HYP 67 81.851 -2.214 3.784
396 HD23 HYP 67 HD23 HYP 67 81.276 -1.205 5.141
397 HD1 HYP 67 HD1 HYP 67 84.600 -2.875 5.746
398 H GLY 68 H GLY 68 84.642 2.361 2.411
399 HA2 GLY 68 HA2 GLY 68 84.882 1.583 -0.391
400 HA3 GLY 68 HA3 GLY 68 85.730 2.903 0.415
401 HA PRO 69 HA PRO 69 88.336 -1.027 -0.231
402 HB2 PRO 69 HB2 PRO 69 89.878 -0.435 -2.430
403 HB3 PRO 69 HB3 PRO 69 88.249 -1.172 -2.512
404 HG2 PRO 69 HG2 PRO 69 88.992 1.750 -2.804
405 HG3 PRO 69 HG3 PRO 69 87.926 0.771 -3.861
406 HD2 PRO 69 HD2 PRO 69 86.911 2.390 -1.917
407 HD3 PRO 69 HD3 PRO 69 86.172 0.801 -2.279
408 HA HYP 70 HA HYP 70 91.959 0.767 1.894
409 HB2 HYP 70 HB2 HYP 70 93.404 -1.524 0.602
410 HB3 HYP 70 HB3 HYP 70 93.443 -0.992 2.304
411 HG HYP 70 HG HYP 70 92.021 -3.187 1.430
412 HD22 HYP 70 HD22 HYP 70 90.555 -2.269 -0.114
413 HD23 HYP 70 HD23 HYP 70 89.595 -1.901 1.348
414 HD1 HYP 70 HD1 HYP 70 92.034 -2.563 3.606
415 H GLY 71 H GLY 71 93.768 1.998 1.386
416 HA2 GLY 71 HA2 GLY 71 94.277 2.723 -1.400
417 HA3 GLY 71 HA3 GLY 71 95.143 3.300 0.015
418 HA PRO 72 HA PRO 72 97.490 -0.061 -2.391
419 HB2 PRO 72 HB2 PRO 72 99.254 1.368 -3.929
420 HB3 PRO 72 HB3 PRO 72 97.575 1.010 -4.433
421 HG2 PRO 72 HG2 PRO 72 98.620 3.533 -3.107
422 HG3 PRO 72 HG3 PRO 72 97.607 3.401 -4.582
423 HD2 PRO 72 HD2 PRO 72 96.504 3.888 -2.141
424 HD3 PRO 72 HD3 PRO 72 95.690 2.825 -3.328
425 HA HYP 73 HA HYP 73 101.111 0.085 0.385
426 HB2 HYP 73 HB2 HYP 73 102.601 -1.115 -1.930
427 HB3 HYP 73 HB3 HYP 73 102.567 -1.643 -0.227
428 HG HYP 73 HG HYP 73 101.176 -2.937 -2.208
429 HD22 HYP 73 HD22 HYP 73 99.878 -1.197 -3.072
430 HD23 HYP 73 HD23 HYP 73 98.773 -1.736 -1.774
431 HD1 HYP 73 HD1 HYP 73 101.035 -3.585 -0.037
432 H GLY 74 H GLY 74 102.993 1.317 0.683
433 HA2 GLY 74 HA2 GLY 74 103.558 3.511 -1.149
434 HA3 GLY 74 HA3 GLY 74 104.462 3.094 0.300
435 HA PRO 75 HA PRO 75 106.629 1.744 -3.702
436 HB2 PRO 75 HB2 PRO 75 108.417 3.763 -4.196
437 HB3 PRO 75 HB3 PRO 75 106.705 3.821 -4.717
438 HG2 PRO 75 HG2 PRO 75 107.929 5.024 -2.212
439 HG3 PRO 75 HG3 PRO 75 106.882 5.833 -3.424
440 HD2 PRO 75 HD2 PRO 75 105.858 4.807 -1.118
441 HD3 PRO 75 HD3 PRO 75 104.959 4.695 -2.660
442 HA HYP 76 HA HYP 76 110.312 0.091 -1.646
443 HB2 HYP 76 HB2 HYP 76 111.817 0.780 -4.152
444 HB3 HYP 76 HB3 HYP 76 111.780 -0.761 -3.256
445 HG HYP 76 HG HYP 76 110.399 -0.357 -5.599
446 HD22 HYP 76 HD22 HYP 76 109.060 1.468 -5.061
447 HD23 HYP 76 HD23 HYP 76 107.987 0.182 -4.443
448 HD1 HYP 76 HD1 HYP 76 110.279 -2.320 -4.468
449 H GLY 77 H GLY 77 112.125 0.800 -0.514
450 HA2 GLY 77 HA2 GLY 77 112.837 3.630 -0.452
451 HA3 GLY 77 HA3 GLY 77 113.670 2.319 0.377
452 HA PRO 78 HA PRO 78 115.948 3.774 -3.538
453 HB2 PRO 78 HB2 PRO 78 117.909 5.422 -2.549
454 HB3 PRO 78 HB3 PRO 78 116.262 5.982 -2.970
455 HG2 PRO 78 HG2 PRO 78 117.310 5.174 -0.239
456 HG3 PRO 78 HG3 PRO 78 116.413 6.663 -0.679
457 HD2 PRO 78 HD2 PRO 78 115.139 4.509 0.387
458 HD3 PRO 78 HD3 PRO 78 114.377 5.480 -0.905
459 HA HYP 79 HA HYP 79 119.309 0.774 -2.926
460 HB2 HYP 79 HB2 HYP 79 120.931 2.614 -4.662
461 HB3 HYP 79 HB3 HYP 79 120.719 0.849 -4.792
462 HG HYP 79 HG HYP 79 119.428 2.630 -6.439
463 HD22 HYP 79 HD22 HYP 79 118.292 3.961 -4.896
464 HD23 HYP 79 HD23 HYP 79 117.068 2.670 -5.080
465 HD1 HYP 79 HD1 HYP 79 119.079 0.397 -6.602
466 H GLY 80 H GLY 80 121.111 0.569 -1.594
467 HA2 GLY 80 HA2 GLY 80 121.937 2.737 0.124
468 HA3 GLY 80 HA3 GLY 80 122.695 1.152 0.005
469 HA PRO 81 HA PRO 81 125.226 4.532 -2.196
470 HB2 PRO 81 HB2 PRO 81 127.001 5.405 -0.300
471 HB3 PRO 81 HB3 PRO 81 125.352 6.076 -0.477
472 HG2 PRO 81 HG2 PRO 81 126.286 3.916 1.436
473 HG3 PRO 81 HG3 PRO 81 125.334 5.388 1.816
474 HD2 PRO 81 HD2 PRO 81 124.131 2.974 1.414
475 HD3 PRO 81 HD3 PRO 81 123.381 4.493 0.842
476 HA HYP 82 HA HYP 82 128.720 1.750 -3.014
477 HB2 HYP 82 HB2 HYP 82 130.422 4.215 -3.013
478 HB3 HYP 82 HB3 HYP 82 130.350 2.905 -4.220
479 HG HYP 82 HG HYP 82 129.172 5.360 -4.609
480 HD22 HYP 82 HD22 HYP 82 127.749 5.502 -2.771
481 HD23 HYP 82 HD23 HYP 82 126.649 4.622 -3.872
482 HD1 HYP 82 HD1 HYP 82 128.980 3.760 -6.171
483 H GLY 83 H GLY 83 130.144 0.631 -1.744
484 HA2 GLY 83 HA2 GLY 83 130.506 1.284 1.017
485 HA3 GLY 83 HA3 GLY 83 131.385 0.039 0.131
486 HA PRO 84 HA PRO 84 134.037 3.819 1.142
487 HB2 PRO 84 HB2 PRO 84 135.523 2.331 3.158
488 HB3 PRO 84 HB3 PRO 84 134.733 3.925 3.291
489 HG2 PRO 84 HG2 PRO 84 133.802 1.546 4.479
490 HG3 PRO 84 HG3 PRO 84 132.796 2.960 4.078
491 HD2 PRO 84 HD2 PRO 84 132.997 0.385 2.595
492 HD3 PRO 84 HD3 PRO 84 131.620 1.494 2.804
493 HA HYP 85 HA HYP 85 137.514 2.297 -1.362
494 HB2 HYP 85 HB2 HYP 85 139.132 4.238 0.261
495 HB3 HYP 85 HB3 HYP 85 139.089 4.020 -1.510
496 HG HYP 85 HG HYP 85 137.827 6.105 -0.247
497 HD22 HYP 85 HD22 HYP 85 136.453 4.960 1.256
498 HD23 HYP 85 HD23 HYP 85 135.357 5.007 -0.157
499 HD1 HYP 85 HD1 HYP 85 137.632 5.881 -2.471
500 H GLY 86 H GLY 86 139.098 0.736 -1.061
501 HA2 GLY 86 HA2 GLY 86 139.262 -0.625 1.431
502 HA3 GLY 86 HA3 GLY 86 140.324 -0.897 0.049
503 HA PRO 87 HA PRO 87 142.548 1.259 3.616
504 HB2 PRO 87 HB2 PRO 87 144.010 -1.128 4.332
505 HB3 PRO 87 HB3 PRO 87 142.977 -0.098 5.359
506 HG2 PRO 87 HG2 PRO 87 142.359 -2.719 4.423
507 HG3 PRO 87 HG3 PRO 87 141.212 -1.523 5.078
508 HD2 PRO 87 HD2 PRO 87 141.642 -2.265 2.246
509 HD3 PRO 87 HD3 PRO 87 140.205 -1.613 3.060
510 HA HYP 88 HA HYP 88 146.279 1.778 1.069
511 HB2 HYP 88 HB2 HYP 88 147.644 2.179 3.715
512 HB3 HYP 88 HB3 HYP 88 147.735 3.185 2.245
513 HG HYP 88 HG HYP 88 146.262 3.894 4.447
514 HD22 HYP 88 HD22 HYP 88 144.828 2.066 4.668
515 HD23 HYP 88 HD23 HYP 88 143.858 3.023 3.507
516 HD1 HYP 88 HD1 HYP 88 144.961 5.104 3.036
517 H GLY 89 H GLY 89 148.096 0.502 0.518
518 HA2 GLY 89 HA2 GLY 89 148.310 -2.163 1.578
519 HA3 GLY 89 HA3 GLY 89 149.474 -1.380 0.517
520 HA PRO 90 HA PRO 90 151.116 -1.803 4.975
521 HB2 PRO 90 HB2 PRO 90 152.846 -3.940 4.683
522 HB3 PRO 90 HB3 PRO 90 151.129 -4.091 5.165
523 HG2 PRO 90 HG2 PRO 90 152.338 -4.390 2.412
524 HG3 PRO 90 HG3 PRO 90 151.177 -5.486 3.231
525 HD2 PRO 90 HD2 PRO 90 150.353 -3.637 1.415
526 HD3 PRO 90 HD3 PRO 90 149.381 -3.989 2.874
527 HA HYP 91 HA HYP 91 154.490 0.683 3.827
528 HB2 HYP 91 HB2 HYP 91 156.462 0.056 5.796
529 HB3 HYP 91 HB3 HYP 91 155.180 1.282 5.882
530 HG HYP 91 HG HYP 91 155.315 -1.403 7.146
531 HD22 HYP 91 HD22 HYP 91 153.411 -2.298 6.338
532 HD23 HYP 91 HD23 HYP 91 152.532 -0.746 6.416
533 HD1 HYP 91 HD1 HYP 91 155.043 0.441 8.415
534 H GLY 92 H GLY 92 156.416 0.784 2.673
535 HA2 GLY 92 HA2 GLY 92 157.750 -1.591 1.648
536 HA3 GLY 92 HA3 GLY 92 158.265 0.095 1.499
537 HA PRO 93 HA PRO 93 161.172 -0.266 4.954
538 HB2 PRO 93 HB2 PRO 93 159.263 1.153 6.828
539 HB3 PRO 93 HB3 PRO 93 161.021 1.412 6.613
540 HG2 PRO 93 HG2 PRO 93 159.243 3.090 5.453
541 HG3 PRO 93 HG3 PRO 93 160.673 2.525 4.526
542 HD2 PRO 93 HD2 PRO 93 157.825 1.542 4.390
543 HD3 PRO 93 HD3 PRO 93 158.994 1.817 3.059
544 HA HYP 94 HA HYP 94 159.674 -3.699 7.540
545 HB2 HYP 94 HB2 HYP 94 161.862 -4.165 9.094
546 HB3 HYP 94 HB3 HYP 94 161.806 -4.546 7.349
547 HG HYP 94 HG HYP 94 163.080 -2.159 8.713
548 HD22 HYP 94 HD22 HYP 94 162.378 -0.700 7.094
549 HD23 HYP 94 HD23 HYP 94 162.477 -1.931 5.805
550 HD1 HYP 94 HD1 HYP 94 164.444 -3.798 7.904
551 H GLY 95 H GLY 95 158.785 -4.016 9.599
552 HA2 GLY 95 HA2 GLY 95 159.300 -2.648 11.995
553 HA3 GLY 95 HA3 GLY 95 158.084 -1.694 11.145
554 HN1 NH2 96 HN1 NH2 96 157.079 -2.443 13.386
555 HN2 NH2 96 HN2 NH2 96 156.078 -3.878 13.272
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 74.081 11.274 2.519
2 H2 ACE 1 H2 ACE 1 73.929 9.518 2.306
3 H3 ACE 1 H3 ACE 1 72.573 10.454 2.982
4 HA PRO 2 HA PRO 2 74.117 9.346 7.018
5 HB2 PRO 2 HB2 PRO 2 74.510 6.443 6.377
6 HB3 PRO 2 HB3 PRO 2 73.563 7.193 7.689
7 HG2 PRO 2 HG2 PRO 2 72.340 6.142 5.491
8 HG3 PRO 2 HG3 PRO 2 71.753 7.663 6.239
9 HD2 PRO 2 HD2 PRO 2 73.490 7.326 3.787
10 HD3 PRO 2 HD3 PRO 2 72.100 8.417 4.054
11 H LYS 3 H LYS 3 76.195 8.631 4.400
12 HA LYS 3 HA LYS 3 78.394 8.289 4.068
13 HB2 LYS 3 HB2 LYS 3 78.354 10.608 4.987
14 HB3 LYS 3 HB3 LYS 3 78.729 9.964 6.579
15 HG2 LYS 3 HG2 LYS 3 80.726 10.841 5.587
16 HG3 LYS 3 HG3 LYS 3 80.907 9.094 5.703
17 HD2 LYS 3 HD2 LYS 3 80.462 8.846 3.293
18 HD3 LYS 3 HD3 LYS 3 80.090 10.583 3.167
19 HE2 LYS 3 HE2 LYS 3 82.408 11.099 3.953
20 HE3 LYS 3 HE3 LYS 3 82.777 9.369 3.976
21 HZ1 LYS 3 HZ1 LYS 3 81.933 10.839 1.528
22 HZ2 LYS 3 HZ2 LYS 3 83.488 10.526 1.911
23 HZ3 LYS 3 HZ3 LYS 3 82.485 9.287 1.584
24 H GLY 4 H GLY 4 77.956 6.065 4.415
25 HA2 GLY 4 HA2 GLY 4 78.470 4.560 6.712
26 HA3 GLY 4 HA3 GLY 4 78.631 3.987 5.056
27 HA PRO 5 HA PRO 5 82.551 4.188 7.725
28 HB2 PRO 5 HB2 PRO 5 83.164 1.487 7.915
29 HB3 PRO 5 HB3 PRO 5 82.114 2.403 9.033
30 HG2 PRO 5 HG2 PRO 5 81.283 0.704 6.679
31 HG3 PRO 5 HG3 PRO 5 80.593 0.717 8.329
32 HD2 PRO 5 HD2 PRO 5 79.432 2.048 6.272
33 HD3 PRO 5 HD3 PRO 5 79.471 2.759 7.916
34 H LYS 6 H LYS 6 83.873 5.149 6.319
35 HA LYS 6 HA LYS 6 84.962 4.156 3.870
36 HB2 LYS 6 HB2 LYS 6 85.061 6.549 4.585
37 HB3 LYS 6 HB3 LYS 6 86.026 6.103 5.989
38 HG2 LYS 6 HG2 LYS 6 87.920 5.512 4.641
39 HG3 LYS 6 HG3 LYS 6 86.996 5.666 3.139
40 HD2 LYS 6 HD2 LYS 6 86.765 8.047 3.423
41 HD3 LYS 6 HD3 LYS 6 87.438 8.001 5.057
42 HE2 LYS 6 HE2 LYS 6 89.004 7.113 2.591
43 HE3 LYS 6 HE3 LYS 6 88.983 8.789 3.151
44 HZ1 LYS 6 HZ1 LYS 6 89.930 6.496 4.795
45 HZ2 LYS 6 HZ2 LYS 6 90.890 7.602 4.049
46 HZ3 LYS 6 HZ3 LYS 6 89.906 8.067 5.268
47 H GLY 7 H GLY 7 86.801 3.066 3.347
48 HA2 GLY 7 HA2 GLY 7 87.637 0.974 5.110
49 HA3 GLY 7 HA3 GLY 7 88.338 1.339 3.540
50 HA PRO 8 HA PRO 8 91.182 2.707 7.127
51 HB2 PRO 8 HB2 PRO 8 92.708 0.516 7.704
52 HB3 PRO 8 HB3 PRO 8 91.091 0.787 8.421
53 HG2 PRO 8 HG2 PRO 8 91.778 -0.887 5.983
54 HG3 PRO 8 HG3 PRO 8 90.826 -1.382 7.423
55 HD2 PRO 8 HD2 PRO 8 89.584 -0.519 5.172
56 HD3 PRO 8 HD3 PRO 8 88.987 -0.039 6.783
57 H LYS 9 H LYS 9 93.403 3.194 7.039
58 HA LYS 9 HA LYS 9 94.652 3.478 4.468
59 HB2 LYS 9 HB2 LYS 9 94.961 5.020 6.411
60 HB3 LYS 9 HB3 LYS 9 95.769 3.725 7.297
61 HG2 LYS 9 HG2 LYS 9 97.612 3.712 5.681
62 HG3 LYS 9 HG3 LYS 9 96.791 4.924 4.682
63 HD2 LYS 9 HD2 LYS 9 96.994 6.593 6.466
64 HD3 LYS 9 HD3 LYS 9 97.558 5.360 7.597
65 HE2 LYS 9 HE2 LYS 9 99.481 6.564 6.968
66 HE3 LYS 9 HE3 LYS 9 99.588 4.992 6.178
67 HZ1 LYS 9 HZ1 LYS 9 98.719 7.518 4.860
68 HZ2 LYS 9 HZ2 LYS 9 100.203 6.836 4.733
69 HZ3 LYS 9 HZ3 LYS 9 98.885 6.070 4.089
70 H GLY 10 H GLY 10 96.301 2.391 3.481
71 HA2 GLY 10 HA2 GLY 10 96.699 -0.406 4.079
72 HA3 GLY 10 HA3 GLY 10 97.515 0.524 2.830
73 HA PRO 11 HA PRO 11 100.314 -0.390 6.587
74 HB2 PRO 11 HB2 PRO 11 101.697 -2.624 5.833
75 HB3 PRO 11 HB3 PRO 11 100.072 -2.698 6.581
76 HG2 PRO 11 HG2 PRO 11 100.759 -2.762 3.624
77 HG3 PRO 11 HG3 PRO 11 99.724 -3.911 4.536
78 HD2 PRO 11 HD2 PRO 11 98.633 -1.848 3.147
79 HD3 PRO 11 HD3 PRO 11 97.983 -2.320 4.742
80 H LYS 12 H LYS 12 102.588 -0.081 6.772
81 HA LYS 12 HA LYS 12 103.909 1.547 4.844
82 HB2 LYS 12 HB2 LYS 12 104.381 1.405 7.329
83 HB3 LYS 12 HB3 LYS 12 105.161 -0.159 7.038
84 HG2 LYS 12 HG2 LYS 12 106.708 1.035 5.426
85 HG3 LYS 12 HG3 LYS 12 105.971 2.558 5.899
86 HD2 LYS 12 HD2 LYS 12 108.043 2.329 7.076
87 HD3 LYS 12 HD3 LYS 12 106.745 2.120 8.264
88 HE2 LYS 12 HE2 LYS 12 107.022 -0.338 8.149
89 HE3 LYS 12 HE3 LYS 12 108.237 -0.162 6.872
90 HZ1 LYS 12 HZ1 LYS 12 108.560 0.922 9.627
91 HZ2 LYS 12 HZ2 LYS 12 109.215 -0.481 9.107
92 HZ3 LYS 12 HZ3 LYS 12 109.709 0.927 8.448
93 H GLY 13 H GLY 13 105.387 1.141 3.252
94 HA2 GLY 13 HA2 GLY 13 105.365 -1.383 1.886
95 HA3 GLY 13 HA3 GLY 13 106.389 -0.004 1.507
96 HA PRO 14 HA PRO 14 108.815 -3.633 3.378
97 HB2 PRO 14 HB2 PRO 14 110.002 -4.732 1.171
98 HB3 PRO 14 HB3 PRO 14 108.338 -5.142 1.688
99 HG2 PRO 14 HG2 PRO 14 109.188 -3.119 -0.403
100 HG3 PRO 14 HG3 PRO 14 107.963 -4.417 -0.564
101 HD2 PRO 14 HD2 PRO 14 107.250 -1.860 0.038
102 HD3 PRO 14 HD3 PRO 14 106.415 -3.252 0.786
103 H LYS 15 H LYS 15 111.012 -3.691 3.839
104 HA LYS 15 HA LYS 15 112.578 -1.333 3.674
105 HB2 LYS 15 HB2 LYS 15 112.752 -3.205 5.351
106 HB3 LYS 15 HB3 LYS 15 113.527 -4.203 4.112
107 HG2 LYS 15 HG2 LYS 15 115.371 -2.550 3.953
108 HG3 LYS 15 HG3 LYS 15 114.578 -1.535 5.164
109 HD2 LYS 15 HD2 LYS 15 114.726 -3.582 6.739
110 HD3 LYS 15 HD3 LYS 15 115.790 -4.305 5.513
111 HE2 LYS 15 HE2 LYS 15 117.201 -2.151 5.685
112 HE3 LYS 15 HE3 LYS 15 116.203 -1.720 7.081
113 HZ1 LYS 15 HZ1 LYS 15 118.050 -4.027 6.812
114 HZ2 LYS 15 HZ2 LYS 15 118.125 -2.831 7.904
115 HZ3 LYS 15 HZ3 LYS 15 116.935 -3.949 8.037
116 H GLY 16 H GLY 16 114.209 -0.629 2.369
117 HA2 GLY 16 HA2 GLY 16 114.212 -1.381 -0.378
118 HA3 GLY 16 HA3 GLY 16 115.365 -0.297 0.393
119 HA PRO 17 HA PRO 17 117.382 -4.448 -0.764
120 HB2 PRO 17 HB2 PRO 17 118.527 -3.939 -3.191
121 HB3 PRO 17 HB3 PRO 17 116.822 -4.457 -3.011
122 HG2 PRO 17 HG2 PRO 17 117.883 -1.634 -3.325
123 HG3 PRO 17 HG3 PRO 17 116.558 -2.421 -4.242
124 HD2 PRO 17 HD2 PRO 17 116.057 -0.811 -2.096
125 HD3 PRO 17 HD3 PRO 17 115.075 -2.269 -2.418
126 H LYS 18 H LYS 18 119.573 -4.921 -0.515
127 HA LYS 18 HA LYS 18 121.199 -3.103 0.942
128 HB2 LYS 18 HB2 LYS 18 121.209 -5.599 1.088
129 HB3 LYS 18 HB3 LYS 18 121.933 -5.681 -0.522
130 HG2 LYS 18 HG2 LYS 18 123.959 -4.563 0.294
131 HG3 LYS 18 HG3 LYS 18 123.231 -4.349 1.900
132 HD2 LYS 18 HD2 LYS 18 123.174 -6.753 2.258
133 HD3 LYS 18 HD3 LYS 18 123.656 -7.063 0.573
134 HE2 LYS 18 HE2 LYS 18 125.811 -5.936 0.953
135 HE3 LYS 18 HE3 LYS 18 125.368 -5.598 2.636
136 HZ1 LYS 18 HZ1 LYS 18 125.560 -8.346 1.509
137 HZ2 LYS 18 HZ2 LYS 18 126.794 -7.609 2.277
138 HZ3 LYS 18 HZ3 LYS 18 125.400 -7.950 3.093
139 H GLY 19 H GLY 19 123.061 -1.976 0.504
140 HA2 GLY 19 HA2 GLY 19 123.367 -0.852 -2.157
141 HA3 GLY 19 HA3 GLY 19 124.332 -0.477 -0.738
142 HA PRO 20 HA PRO 20 126.728 -3.169 -3.824
143 HB2 PRO 20 HB2 PRO 20 128.227 -1.354 -5.203
144 HB3 PRO 20 HB3 PRO 20 126.528 -1.725 -5.624
145 HG2 PRO 20 HG2 PRO 20 127.558 0.579 -3.936
146 HG3 PRO 20 HG3 PRO 20 126.427 0.649 -5.325
147 HD2 PRO 20 HD2 PRO 20 125.527 0.597 -2.749
148 HD3 PRO 20 HD3 PRO 20 124.660 -0.256 -4.057
149 H LYS 21 H LYS 21 128.871 -3.860 -3.653
150 HA LYS 21 HA LYS 21 130.322 -3.411 -1.239
151 HB2 LYS 21 HB2 LYS 21 130.390 -5.485 -2.635
152 HB3 LYS 21 HB3 LYS 21 131.225 -4.591 -3.911
153 HG2 LYS 21 HG2 LYS 21 133.154 -4.223 -2.442
154 HG3 LYS 21 HG3 LYS 21 132.320 -5.017 -1.093
155 HD2 LYS 21 HD2 LYS 21 132.353 -7.151 -2.266
156 HD3 LYS 21 HD3 LYS 21 132.970 -6.378 -3.747
157 HE2 LYS 21 HE2 LYS 21 135.022 -5.691 -2.565
158 HE3 LYS 21 HE3 LYS 21 134.437 -6.425 -1.065
159 HZ1 LYS 21 HZ1 LYS 21 134.939 -7.948 -3.573
160 HZ2 LYS 21 HZ2 LYS 21 136.008 -7.831 -2.342
161 HZ3 LYS 21 HZ3 LYS 21 134.564 -8.590 -2.111
162 H GLY 22 H GLY 22 132.154 -2.303 -0.718
163 HA2 GLY 22 HA2 GLY 22 132.679 0.194 -2.110
164 HA3 GLY 22 HA3 GLY 22 133.479 -0.390 -0.656
165 HA PRO 23 HA PRO 23 136.254 -0.833 -4.483
166 HB2 PRO 23 HB2 PRO 23 137.754 1.439 -4.488
167 HB3 PRO 23 HB3 PRO 23 136.107 1.374 -5.186
168 HG2 PRO 23 HG2 PRO 23 136.917 2.328 -2.422
169 HG3 PRO 23 HG3 PRO 23 135.884 3.174 -3.620
170 HD2 PRO 23 HD2 PRO 23 134.815 1.684 -1.591
171 HD3 PRO 23 HD3 PRO 23 134.066 1.735 -3.214
172 H LYS 24 H LYS 24 138.442 -1.426 -4.532
173 HA LYS 24 HA LYS 24 139.655 -2.466 -2.177
174 HB2 LYS 24 HB2 LYS 24 139.992 -3.288 -4.514
175 HB3 LYS 24 HB3 LYS 24 140.831 -1.788 -4.916
176 HG2 LYS 24 HG2 LYS 24 142.649 -2.333 -3.370
177 HG3 LYS 24 HG3 LYS 24 141.794 -3.793 -2.826
178 HD2 LYS 24 HD2 LYS 24 141.978 -4.789 -5.038
179 HD3 LYS 24 HD3 LYS 24 142.610 -3.274 -5.722
180 HE2 LYS 24 HE2 LYS 24 144.603 -3.430 -4.270
181 HE3 LYS 24 HE3 LYS 24 143.998 -4.943 -3.575
182 HZ1 LYS 24 HZ1 LYS 24 144.642 -4.547 -6.457
183 HZ2 LYS 24 HZ2 LYS 24 145.622 -5.292 -5.382
184 HZ3 LYS 24 HZ3 LYS 24 144.172 -5.960 -5.771
185 H GLY 25 H GLY 25 141.339 -1.851 -0.901
186 HA2 GLY 25 HA2 GLY 25 141.736 0.973 -0.424
187 HA3 GLY 25 HA3 GLY 25 142.518 -0.357 0.419
188 HA PRO 26 HA PRO 26 145.509 1.876 -2.502
189 HB2 PRO 26 HB2 PRO 26 146.845 3.581 -0.852
190 HB3 PRO 26 HB3 PRO 26 145.240 3.976 -1.540
191 HG2 PRO 26 HG2 PRO 26 145.857 2.819 1.193
192 HG3 PRO 26 HG3 PRO 26 144.825 4.233 0.806
193 HD2 PRO 26 HD2 PRO 26 143.770 1.741 1.201
194 HD3 PRO 26 HD3 PRO 26 143.089 2.867 -0.008
195 H LYS 27 H LYS 27 147.783 1.589 -2.697
196 HA LYS 27 HA LYS 27 148.924 -0.795 -1.686
197 HB2 LYS 27 HB2 LYS 27 149.557 0.401 -3.791
198 HB3 LYS 27 HB3 LYS 27 150.282 1.694 -2.828
199 HG2 LYS 27 HG2 LYS 27 151.960 0.144 -1.934
200 HG3 LYS 27 HG3 LYS 27 151.194 -1.219 -2.778
201 HD2 LYS 27 HD2 LYS 27 151.733 -0.247 -4.949
202 HD3 LYS 27 HD3 LYS 27 152.314 1.250 -4.183
203 HE2 LYS 27 HE2 LYS 27 154.102 -0.003 -3.038
204 HE3 LYS 27 HE3 LYS 27 153.547 -1.515 -3.773
205 HZ1 LYS 27 HZ1 LYS 27 154.468 0.833 -5.354
206 HZ2 LYS 27 HZ2 LYS 27 155.446 -0.403 -4.930
207 HZ3 LYS 27 HZ3 LYS 27 154.162 -0.672 -5.931
208 H GLY 28 H GLY 28 150.300 -1.319 -0.052
209 HA2 GLY 28 HA2 GLY 28 150.266 0.243 2.345
210 HA3 GLY 28 HA3 GLY 28 151.183 -1.236 2.081
211 HA PRO 29 HA PRO 29 154.071 2.545 2.247
212 HB2 PRO 29 HB2 PRO 29 154.893 2.565 4.853
213 HB3 PRO 29 HB3 PRO 29 153.387 3.362 4.310
214 HG2 PRO 29 HG2 PRO 29 153.684 0.615 5.566
215 HG3 PRO 29 HG3 PRO 29 152.538 1.920 6.012
216 HD2 PRO 29 HD2 PRO 29 151.833 -0.151 4.366
217 HD3 PRO 29 HD3 PRO 29 151.182 1.501 4.141
218 H LYS 30 H LYS 30 156.326 2.337 2.044
219 HA LYS 30 HA LYS 30 157.355 -0.350 1.677
220 HB2 LYS 30 HB2 LYS 30 158.780 2.345 1.576
221 HB3 LYS 30 HB3 LYS 30 159.438 0.801 1.014
222 HG2 LYS 30 HG2 LYS 30 157.517 0.609 -0.596
223 HG3 LYS 30 HG3 LYS 30 157.003 2.239 -0.127
224 HD2 LYS 30 HD2 LYS 30 159.209 3.139 -0.843
225 HD3 LYS 30 HD3 LYS 30 159.710 1.505 -1.332
226 HE2 LYS 30 HE2 LYS 30 157.795 1.418 -2.935
227 HE3 LYS 30 HE3 LYS 30 157.338 3.062 -2.466
228 HZ1 LYS 30 HZ1 LYS 30 159.927 2.310 -3.732
229 HZ2 LYS 30 HZ2 LYS 30 158.687 3.054 -4.489
230 HZ3 LYS 30 HZ3 LYS 30 159.498 3.831 -3.304
231 H GLY 31 H GLY 31 157.374 1.619 4.484
232 HA2 GLY 31 HA2 GLY 31 158.338 -0.249 6.254
233 HA3 GLY 31 HA3 GLY 31 159.818 0.530 5.685
234 HN1 NH2 32 HN1 NH2 32 158.344 3.245 5.477
235 HN2 NH2 32 HN2 NH2 32 158.224 3.761 7.146
236 H1 ACE 33 H1 ACE 33 73.246 0.750 6.048
237 H2 ACE 33 H2 ACE 33 74.212 2.200 6.412
238 H3 ACE 33 H3 ACE 33 72.615 2.364 5.645
239 H ASP 34 H ASP 34 74.317 3.675 4.295
240 HA ASP 34 HA ASP 34 74.702 2.383 1.761
241 HB2 ASP 34 HB2 ASP 34 75.700 4.467 1.074
242 HB3 ASP 34 HB3 ASP 34 74.267 4.800 2.032
243 HA HYP 35 HA HYP 35 78.835 0.768 2.430
244 HB2 HYP 35 HB2 HYP 35 79.820 0.554 -0.103
245 HB3 HYP 35 HB3 HYP 35 78.545 -0.512 0.557
246 HG HYP 35 HG HYP 35 78.232 1.904 -1.248
247 HD22 HYP 35 HD22 HYP 35 76.330 2.612 -0.175
248 HD23 HYP 35 HD23 HYP 35 75.844 0.956 0.289
249 HD1 HYP 35 HD1 HYP 35 78.007 -0.215 -2.125
250 H GLY 36 H GLY 36 80.742 1.691 3.000
251 HA2 GLY 36 HA2 GLY 36 81.180 4.538 2.562
252 HA3 GLY 36 HA3 GLY 36 82.189 3.446 3.494
253 H ASP 37 H ASP 37 83.316 5.424 1.991
254 HA ASP 37 HA ASP 37 84.123 4.631 -0.634
255 HB2 ASP 37 HB2 ASP 37 85.094 6.707 1.368
256 HB3 ASP 37 HB3 ASP 37 85.755 6.558 -0.248
257 HA HYP 38 HA HYP 38 87.825 2.160 0.020
258 HB2 HYP 38 HB2 HYP 38 89.254 4.078 -1.799
259 HB3 HYP 38 HB3 HYP 38 89.190 2.298 -1.879
260 HG HYP 38 HG HYP 38 87.728 3.904 -3.553
261 HD22 HYP 38 HD22 HYP 38 86.557 5.210 -2.015
262 HD23 HYP 38 HD23 HYP 38 85.400 3.855 -2.149
263 HD1 HYP 38 HD1 HYP 38 87.509 1.664 -3.655
264 H GLY 39 H GLY 39 89.832 2.121 1.078
265 HA2 GLY 39 HA2 GLY 39 90.535 4.423 2.768
266 HA3 GLY 39 HA3 GLY 39 91.217 2.804 2.828
267 H ASP 40 H ASP 40 92.781 5.053 3.104
268 HA ASP 40 HA ASP 40 93.958 5.946 0.649
269 HB2 ASP 40 HB2 ASP 40 94.629 6.328 3.589
270 HB3 ASP 40 HB3 ASP 40 95.458 7.153 2.276
271 HA HYP 41 HA HYP 41 97.473 3.157 0.170
272 HB2 HYP 41 HB2 HYP 41 99.065 5.645 -0.375
273 HB3 HYP 41 HB3 HYP 41 98.978 4.139 -1.327
274 HG HYP 41 HG HYP 41 97.668 6.442 -2.056
275 HD22 HYP 41 HD22 HYP 41 96.361 6.862 -0.174
276 HD23 HYP 41 HD23 HYP 41 95.237 5.763 -1.023
277 HD1 HYP 41 HD1 HYP 41 97.446 4.577 -3.291
278 H GLY 42 H GLY 42 99.391 2.477 1.178
279 HA2 GLY 42 HA2 GLY 42 100.077 3.577 3.806
280 HA3 GLY 42 HA3 GLY 42 100.792 2.184 3.014
281 H ASP 43 H ASP 43 102.311 4.000 4.456
282 HA ASP 43 HA ASP 43 103.676 5.852 2.661
283 HB2 ASP 43 HB2 ASP 43 103.809 5.157 5.595
284 HB3 ASP 43 HB3 ASP 43 105.108 6.068 4.849
285 HA HYP 44 HA HYP 44 106.978 3.450 1.155
286 HB2 HYP 44 HB2 HYP 44 109.022 5.391 2.167
287 HB3 HYP 44 HB3 HYP 44 108.754 4.801 0.506
288 HG HYP 44 HG HYP 44 107.987 7.304 1.357
289 HD22 HYP 44 HD22 HYP 44 106.570 6.762 3.123
290 HD23 HYP 44 HD23 HYP 44 105.373 6.711 1.801
291 HD1 HYP 44 HD1 HYP 44 107.603 6.598 -0.761
292 H GLY 45 H GLY 45 108.602 1.957 1.577
293 HA2 GLY 45 HA2 GLY 45 109.244 1.041 4.239
294 HA3 GLY 45 HA3 GLY 45 110.021 0.575 2.749
295 H ASP 46 H ASP 46 111.353 0.840 5.180
296 HA ASP 46 HA ASP 46 112.874 3.285 5.329
297 HB2 ASP 46 HB2 ASP 46 113.161 0.485 6.486
298 HB3 ASP 46 HB3 ASP 46 114.308 1.772 6.809
299 HA HYP 47 HA HYP 47 116.030 2.567 2.236
300 HB2 HYP 47 HB2 HYP 47 118.065 3.202 4.347
301 HB3 HYP 47 HB3 HYP 47 117.897 3.882 2.706
302 HG HYP 47 HG HYP 47 117.121 5.232 4.966
303 HD22 HYP 47 HD22 HYP 47 115.575 3.756 5.903
304 HD23 HYP 47 HD23 HYP 47 114.458 4.605 4.798
305 HD1 HYP 47 HD1 HYP 47 115.723 6.384 3.634
306 H GLY 48 H GLY 48 117.533 1.045 1.533
307 HA2 GLY 48 HA2 GLY 48 117.737 -1.479 2.906
308 HA3 GLY 48 HA3 GLY 48 118.612 -1.006 1.464
309 H ASP 49 H ASP 49 119.749 -2.643 3.372
310 HA ASP 49 HA ASP 49 121.335 -1.257 5.301
311 HB2 ASP 49 HB2 ASP 49 121.416 -4.035 4.064
312 HB3 ASP 49 HB3 ASP 49 122.528 -3.509 5.317
313 HA HYP 50 HA HYP 50 124.849 0.148 2.924
314 HB2 HYP 50 HB2 HYP 50 126.590 -1.070 5.049
315 HB3 HYP 50 HB3 HYP 50 126.619 0.587 4.390
316 HG HYP 50 HG HYP 50 125.548 -0.023 6.846
317 HD22 HYP 50 HD22 HYP 50 123.946 -1.613 6.267
318 HD23 HYP 50 HD23 HYP 50 122.948 -0.148 6.047
319 HD1 HYP 50 HD1 HYP 50 125.491 2.092 6.074
320 H GLY 51 H GLY 51 126.351 -0.606 1.433
321 HA2 GLY 51 HA2 GLY 51 126.627 -3.432 0.842
322 HA3 GLY 51 HA3 GLY 51 127.564 -2.119 0.149
323 H ASP 52 H ASP 52 128.738 -4.585 0.748
324 HA ASP 52 HA ASP 52 130.025 -4.606 3.304
325 HB2 ASP 52 HB2 ASP 52 130.362 -6.104 0.696
326 HB3 ASP 52 HB3 ASP 52 131.519 -6.296 1.998
327 HA HYP 53 HA HYP 53 133.590 -1.920 2.672
328 HB2 HYP 53 HB2 HYP 53 135.140 -4.107 4.026
329 HB3 HYP 53 HB3 HYP 53 135.122 -2.361 4.386
330 HG HYP 53 HG HYP 53 133.800 -4.202 5.924
331 HD22 HYP 53 HD22 HYP 53 132.426 -5.231 4.336
332 HD23 HYP 53 HD23 HYP 53 131.338 -3.886 4.785
333 HD1 HYP 53 HD1 HYP 53 132.402 -2.527 6.518
334 H GLY 54 H GLY 54 135.313 -1.707 1.248
335 HA2 GLY 54 HA2 GLY 54 135.777 -3.701 -0.801
336 HA3 GLY 54 HA3 GLY 54 136.694 -2.223 -0.544
337 H ASP 55 H ASP 55 137.923 -4.588 -1.360
338 HA ASP 55 HA ASP 55 139.061 -6.078 0.811
339 HB2 ASP 55 HB2 ASP 55 139.634 -5.780 -2.154
340 HB3 ASP 55 HB3 ASP 55 140.680 -6.731 -1.115
341 HA HYP 56 HA HYP 56 142.581 -3.558 2.056
342 HB2 HYP 56 HB2 HYP 56 144.213 -6.065 1.776
343 HB3 HYP 56 HB3 HYP 56 144.119 -4.939 3.155
344 HG HYP 56 HG HYP 56 142.879 -7.385 3.139
345 HD22 HYP 56 HD22 HYP 56 141.527 -7.215 1.245
346 HD23 HYP 56 HD23 HYP 56 140.398 -6.481 2.419
347 HD1 HYP 56 HD1 HYP 56 141.450 -6.534 4.654
348 H GLY 57 H GLY 57 144.363 -2.500 1.120
349 HA2 GLY 57 HA2 GLY 57 144.973 -2.817 -1.698
350 HA3 GLY 57 HA3 GLY 57 145.882 -1.871 -0.527
351 H ASP 58 H ASP 58 147.235 -3.235 -2.511
352 HA ASP 58 HA ASP 58 148.288 -5.758 -1.523
353 HB2 ASP 58 HB2 ASP 58 148.936 -3.852 -3.788
354 HB3 ASP 58 HB3 ASP 58 150.033 -5.153 -3.375
355 HA HYP 59 HA HYP 59 151.466 -4.423 1.217
356 HB2 HYP 59 HB2 HYP 59 153.491 -5.975 -0.356
357 HB3 HYP 59 HB3 HYP 59 153.133 -6.040 1.389
358 HG HYP 59 HG HYP 59 152.300 -7.951 -0.429
359 HD22 HYP 59 HD22 HYP 59 150.926 -6.755 -1.849
360 HD23 HYP 59 HD23 HYP 59 149.715 -7.010 -0.563
361 HD1 HYP 59 HD1 HYP 59 151.886 -8.134 1.786
362 H GLY 60 H GLY 60 153.261 -3.026 1.489
363 HA2 GLY 60 HA2 GLY 60 154.165 -1.308 -0.683
364 HA3 GLY 60 HA3 GLY 60 154.898 -1.458 0.914
365 H ASP 61 H ASP 61 156.502 -1.179 -1.365
366 HA ASP 61 HA ASP 61 157.552 -3.672 -2.329
367 HB2 ASP 61 HB2 ASP 61 158.608 -0.820 -2.177
368 HB3 ASP 61 HB3 ASP 61 159.488 -2.132 -2.925
369 HA HYP 62 HA HYP 62 159.982 -5.232 0.941
370 HB2 HYP 62 HB2 HYP 62 162.426 -5.095 -0.824
371 HB3 HYP 62 HB3 HYP 62 161.858 -6.441 0.208
372 HG HYP 62 HG HYP 62 161.415 -6.425 -2.478
373 HD22 HYP 62 HD22 HYP 62 160.409 -4.332 -2.770
374 HD23 HYP 62 HD23 HYP 62 158.933 -5.285 -2.452
375 HD1 HYP 62 HD1 HYP 62 159.497 -7.598 -2.068
376 H GLY 63 H GLY 63 160.988 -4.530 2.722
377 HA2 GLY 63 HA2 GLY 63 163.162 -2.739 2.985
378 HA3 GLY 63 HA3 GLY 63 161.688 -1.768 3.055
379 HN1 NH2 64 HN1 NH2 64 161.357 -4.996 4.416
380 HN2 NH2 64 HN2 NH2 64 161.474 -4.487 6.089
381 H1 ACE 65 H1 ACE 65 79.527 -5.916 3.549
382 H2 ACE 65 H2 ACE 65 77.856 -5.494 3.989
383 H3 ACE 65 H3 ACE 65 79.130 -5.521 5.232
384 HA PRO 66 HA PRO 66 78.434 -1.116 3.727
385 HB2 PRO 66 HB2 PRO 66 78.915 -0.738 6.680
386 HB3 PRO 66 HB3 PRO 66 77.835 0.172 5.581
387 HG2 PRO 66 HG2 PRO 66 76.825 -1.742 7.211
388 HG3 PRO 66 HG3 PRO 66 76.265 -1.619 5.511
389 HD2 PRO 66 HD2 PRO 66 78.281 -3.540 6.692
390 HD3 PRO 66 HD3 PRO 66 76.966 -3.854 5.521
391 HA HYP 67 HA HYP 67 82.924 -0.235 5.600
392 HB2 HYP 67 HB2 HYP 67 83.869 -3.084 5.284
393 HB3 HYP 67 HB3 HYP 67 84.527 -1.792 6.332
394 HG HYP 67 HG HYP 67 82.856 -3.675 7.341
395 HD22 HYP 67 HD22 HYP 67 81.139 -3.617 5.769
396 HD23 HYP 67 HD23 HYP 67 80.479 -2.426 6.924
397 HD1 HYP 67 HD1 HYP 67 83.424 -1.864 8.589
398 H GLY 68 H GLY 68 83.907 0.848 4.025
399 HA2 GLY 68 HA2 GLY 68 84.146 -0.038 1.270
400 HA3 GLY 68 HA3 GLY 68 84.960 1.342 2.004
401 HA PRO 69 HA PRO 69 87.693 -2.530 1.445
402 HB2 PRO 69 HB2 PRO 69 89.118 -2.010 -0.848
403 HB3 PRO 69 HB3 PRO 69 87.519 -2.812 -0.815
404 HG2 PRO 69 HG2 PRO 69 88.124 0.115 -1.304
405 HG3 PRO 69 HG3 PRO 69 87.061 -0.967 -2.260
406 HD2 PRO 69 HD2 PRO 69 86.048 0.715 -0.373
407 HD3 PRO 69 HD3 PRO 69 85.374 -0.925 -0.605
408 HA HYP 70 HA HYP 70 91.264 -0.378 3.327
409 HB2 HYP 70 HB2 HYP 70 92.816 -2.721 2.269
410 HB3 HYP 70 HB3 HYP 70 92.827 -2.021 3.908
411 HG HYP 70 HG HYP 70 91.518 -4.358 3.281
412 HD22 HYP 70 HD22 HYP 70 90.050 -3.665 1.615
413 HD23 HYP 70 HD23 HYP 70 89.039 -3.247 3.031
414 HD1 HYP 70 HD1 HYP 70 91.443 -3.542 5.375
415 H GLY 71 H GLY 71 93.097 0.812 2.673
416 HA2 GLY 71 HA2 GLY 71 93.528 1.225 -0.205
417 HA3 GLY 71 HA3 GLY 71 94.374 2.022 1.109
418 HA PRO 72 HA PRO 72 96.818 -1.557 -0.843
419 HB2 PRO 72 HB2 PRO 72 98.497 -0.321 -2.626
420 HB3 PRO 72 HB3 PRO 72 96.817 -0.794 -3.020
421 HG2 PRO 72 HG2 PRO 72 97.817 1.922 -2.107
422 HG3 PRO 72 HG3 PRO 72 96.772 1.548 -3.517
423 HD2 PRO 72 HD2 PRO 72 95.717 2.357 -1.140
424 HD3 PRO 72 HD3 PRO 72 94.906 1.114 -2.137
425 HA HYP 73 HA HYP 73 100.512 -0.969 1.751
426 HB2 HYP 73 HB2 HYP 73 102.028 -2.287 -0.482
427 HB3 HYP 73 HB3 HYP 73 102.047 -2.666 1.261
428 HG HYP 73 HG HYP 73 100.698 -4.193 -0.582
429 HD22 HYP 73 HD22 HYP 73 99.280 -2.618 -1.550
430 HD23 HYP 73 HD23 HYP 73 98.241 -3.096 -0.176
431 HD1 HYP 73 HD1 HYP 73 100.621 -4.709 1.610
432 H GLY 74 H GLY 74 102.368 0.363 1.880
433 HA2 GLY 74 HA2 GLY 74 102.684 2.446 -0.113
434 HA3 GLY 74 HA3 GLY 74 103.696 2.200 1.305
435 HA PRO 75 HA PRO 75 105.791 0.845 -2.709
436 HB2 PRO 75 HB2 PRO 75 107.604 3.092 -2.822
437 HB3 PRO 75 HB3 PRO 75 106.317 2.634 -3.964
438 HG2 PRO 75 HG2 PRO 75 106.306 4.857 -2.169
439 HG3 PRO 75 HG3 PRO 75 104.965 4.277 -3.186
440 HD2 PRO 75 HD2 PRO 75 105.376 3.916 -0.285
441 HD3 PRO 75 HD3 PRO 75 103.890 3.771 -1.259
442 HA HYP 76 HA HYP 76 109.427 -0.793 -0.571
443 HB2 HYP 76 HB2 HYP 76 110.963 -0.211 -3.086
444 HB3 HYP 76 HB3 HYP 76 110.893 -1.722 -2.142
445 HG HYP 76 HG HYP 76 109.535 -1.366 -4.509
446 HD22 HYP 76 HD22 HYP 76 108.208 0.485 -4.039
447 HD23 HYP 76 HD23 HYP 76 107.124 -0.773 -3.377
448 HD1 HYP 76 HD1 HYP 76 109.349 -3.302 -3.393
449 H GLY 77 H GLY 77 111.270 -0.070 0.535
450 HA2 GLY 77 HA2 GLY 77 111.856 2.757 0.644
451 HA3 GLY 77 HA3 GLY 77 112.780 1.474 1.419
452 HA PRO 78 HA PRO 78 114.935 3.176 -2.464
453 HB2 PRO 78 HB2 PRO 78 116.832 4.816 -1.030
454 HB3 PRO 78 HB3 PRO 78 115.590 5.309 -2.208
455 HG2 PRO 78 HG2 PRO 78 115.566 5.764 0.620
456 HG3 PRO 78 HG3 PRO 78 114.265 6.102 -0.549
457 HD2 PRO 78 HD2 PRO 78 114.478 3.887 1.382
458 HD3 PRO 78 HD3 PRO 78 113.057 4.505 0.500
459 HA HYP 79 HA HYP 79 118.317 0.243 -1.925
460 HB2 HYP 79 HB2 HYP 79 120.037 2.159 -3.466
461 HB3 HYP 79 HB3 HYP 79 119.798 0.410 -3.721
462 HG HYP 79 HG HYP 79 118.605 2.334 -5.288
463 HD22 HYP 79 HD22 HYP 79 117.383 3.556 -3.731
464 HD23 HYP 79 HD23 HYP 79 116.185 2.264 -4.028
465 HD1 HYP 79 HD1 HYP 79 118.228 0.148 -5.672
466 H GLY 80 H GLY 80 120.092 -0.128 -0.621
467 HA2 GLY 80 HA2 GLY 80 120.800 1.802 1.394
468 HA3 GLY 80 HA3 GLY 80 121.548 0.226 1.144
469 HA PRO 81 HA PRO 81 124.314 3.820 -0.279
470 HB2 PRO 81 HB2 PRO 81 125.965 4.244 1.864
471 HB3 PRO 81 HB3 PRO 81 124.339 4.981 1.731
472 HG2 PRO 81 HG2 PRO 81 125.127 2.457 3.212
473 HG3 PRO 81 HG3 PRO 81 124.170 3.841 3.830
474 HD2 PRO 81 HD2 PRO 81 122.978 1.580 2.866
475 HD3 PRO 81 HD3 PRO 81 122.267 3.199 2.599
476 HA HYP 82 HA HYP 82 127.612 1.025 -1.437
477 HB2 HYP 82 HB2 HYP 82 129.823 2.830 -1.446
478 HB3 HYP 82 HB3 HYP 82 128.759 2.401 -2.803
479 HG HYP 82 HG HYP 82 128.751 4.823 -1.073
480 HD22 HYP 82 HD22 HYP 82 126.559 4.818 -0.471
481 HD23 HYP 82 HD23 HYP 82 126.027 4.068 -2.002
482 HD1 HYP 82 HD1 HYP 82 127.984 5.732 -2.978
483 H GLY 83 H GLY 83 129.307 -0.185 -0.532
484 HA2 GLY 83 HA2 GLY 83 129.925 0.066 2.292
485 HA3 GLY 83 HA3 GLY 83 130.735 -0.982 1.131
486 HA PRO 84 HA PRO 84 133.258 2.947 2.107
487 HB2 PRO 84 HB2 PRO 84 134.904 2.212 4.176
488 HB3 PRO 84 HB3 PRO 84 133.258 2.873 4.415
489 HG2 PRO 84 HG2 PRO 84 134.101 -0.041 4.358
490 HG3 PRO 84 HG3 PRO 84 133.099 0.793 5.591
491 HD2 PRO 84 HD2 PRO 84 131.966 -0.636 3.568
492 HD3 PRO 84 HD3 PRO 84 131.234 0.890 4.142
493 HA HYP 85 HA HYP 85 136.858 1.377 -0.180
494 HB2 HYP 85 HB2 HYP 85 138.483 3.222 1.543
495 HB3 HYP 85 HB3 HYP 85 138.501 3.040 -0.231
496 HG HYP 85 HG HYP 85 137.271 5.146 1.034
497 HD22 HYP 85 HD22 HYP 85 135.788 4.027 2.447
498 HD23 HYP 85 HD23 HYP 85 134.745 4.129 0.998
499 HD1 HYP 85 HD1 HYP 85 137.189 4.946 -1.212
500 H GLY 86 H GLY 86 138.434 -0.205 0.142
501 HA2 GLY 86 HA2 GLY 86 138.682 -1.536 2.689
502 HA3 GLY 86 HA3 GLY 86 139.673 -1.827 1.264
503 HA PRO 87 HA PRO 87 141.989 0.590 4.642
504 HB2 PRO 87 HB2 PRO 87 143.481 -1.357 5.874
505 HB3 PRO 87 HB3 PRO 87 141.802 -0.961 6.348
506 HG2 PRO 87 HG2 PRO 87 142.744 -3.166 4.493
507 HG3 PRO 87 HG3 PRO 87 141.617 -3.302 5.882
508 HD2 PRO 87 HD2 PRO 87 140.704 -3.055 3.327
509 HD3 PRO 87 HD3 PRO 87 139.872 -2.247 4.688
510 HA HYP 88 HA HYP 88 145.832 0.765 2.224
511 HB2 HYP 88 HB2 HYP 88 147.230 0.931 4.876
512 HB3 HYP 88 HB3 HYP 88 147.431 1.965 3.436
513 HG HYP 88 HG HYP 88 146.036 2.771 5.652
514 HD22 HYP 88 HD22 HYP 88 144.439 1.073 5.831
515 HD23 HYP 88 HD23 HYP 88 143.539 2.149 4.725
516 HD1 HYP 88 HD1 HYP 88 144.901 4.160 4.283
517 H GLY 89 H GLY 89 147.347 -0.739 1.533
518 HA2 GLY 89 HA2 GLY 89 147.191 -3.424 2.449
519 HA3 GLY 89 HA3 GLY 89 148.431 -2.790 1.368
520 HA PRO 90 HA PRO 90 150.112 -3.822 5.661
521 HB2 PRO 90 HB2 PRO 90 151.513 -6.179 4.749
522 HB3 PRO 90 HB3 PRO 90 150.241 -6.038 5.994
523 HG2 PRO 90 HG2 PRO 90 149.933 -7.243 3.445
524 HG3 PRO 90 HG3 PRO 90 148.635 -6.728 4.540
525 HD2 PRO 90 HD2 PRO 90 149.656 -5.335 2.117
526 HD3 PRO 90 HD3 PRO 90 148.028 -5.338 2.845
527 HA HYP 91 HA HYP 91 153.848 -1.789 4.792
528 HB2 HYP 91 HB2 HYP 91 155.602 -2.909 6.753
529 HB3 HYP 91 HB3 HYP 91 154.558 -1.477 6.894
530 HG HYP 91 HG HYP 91 154.172 -4.211 7.980
531 HD22 HYP 91 HD22 HYP 91 152.237 -4.767 6.975
532 HD23 HYP 91 HD23 HYP 91 151.566 -3.125 7.178
533 HD1 HYP 91 HD1 HYP 91 154.096 -2.390 9.327
534 H GLY 92 H GLY 92 156.082 -1.934 4.067
535 HA2 GLY 92 HA2 GLY 92 156.543 -3.857 2.134
536 HA3 GLY 92 HA3 GLY 92 157.776 -2.793 2.792
537 HA PRO 93 HA PRO 93 157.960 -7.227 4.764
538 HB2 PRO 93 HB2 PRO 93 158.411 -9.157 2.855
539 HB3 PRO 93 HB3 PRO 93 156.781 -8.577 3.301
540 HG2 PRO 93 HG2 PRO 93 158.513 -7.676 0.983
541 HG3 PRO 93 HG3 PRO 93 156.793 -8.189 0.944
542 HD2 PRO 93 HD2 PRO 93 157.521 -5.570 1.056
543 HD3 PRO 93 HD3 PRO 93 156.077 -6.172 1.927
544 HA HYP 94 HA HYP 94 162.442 -7.204 4.639
545 HB2 HYP 94 HB2 HYP 94 163.219 -9.696 5.474
546 HB3 HYP 94 HB3 HYP 94 162.487 -8.460 6.535
547 HG HYP 94 HG HYP 94 161.136 -10.823 5.195
548 HD22 HYP 94 HD22 HYP 94 159.175 -9.644 4.895
549 HD23 HYP 94 HD23 HYP 94 159.502 -8.527 6.248
550 HD1 HYP 94 HD1 HYP 94 161.664 -10.939 7.441
551 H GLY 95 H GLY 95 160.740 -9.337 2.503
552 HA2 GLY 95 HA2 GLY 95 162.498 -8.850 0.341
553 HA3 GLY 95 HA3 GLY 95 162.828 -10.475 0.948
554 HN1 NH2 96 HN1 NH2 96 161.972 -10.343 -1.609
555 HN2 NH2 96 HN2 NH2 96 160.303 -10.861 -1.737
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 69.996 3.274 5.186
2 H2 ACE 1 H2 ACE 1 70.684 4.253 3.867
3 H3 ACE 1 H3 ACE 1 70.158 2.578 3.558
4 HA PRO 2 HA PRO 2 74.327 1.280 4.542
5 HB2 PRO 2 HB2 PRO 2 75.863 1.883 2.359
6 HB3 PRO 2 HB3 PRO 2 74.573 0.645 2.332
7 HG2 PRO 2 HG2 PRO 2 74.406 3.532 1.418
8 HG3 PRO 2 HG3 PRO 2 73.876 2.060 0.541
9 HD2 PRO 2 HD2 PRO 2 72.144 3.606 1.983
10 HD3 PRO 2 HD3 PRO 2 71.966 1.828 1.901
11 H LYS 3 H LYS 3 76.584 1.945 4.837
12 HA LYS 3 HA LYS 3 76.967 4.859 5.447
13 HB2 LYS 3 HB2 LYS 3 76.248 3.496 7.432
14 HB3 LYS 3 HB3 LYS 3 77.682 2.497 7.236
15 HG2 LYS 3 HG2 LYS 3 77.949 4.114 9.032
16 HG3 LYS 3 HG3 LYS 3 79.128 4.425 7.760
17 HD2 LYS 3 HD2 LYS 3 77.815 6.332 6.944
18 HD3 LYS 3 HD3 LYS 3 76.494 5.947 8.073
19 HE2 LYS 3 HE2 LYS 3 77.982 6.368 9.991
20 HE3 LYS 3 HE3 LYS 3 79.343 6.671 8.901
21 HZ1 LYS 3 HZ1 LYS 3 76.864 8.316 9.015
22 HZ2 LYS 3 HZ2 LYS 3 78.308 8.745 9.643
23 HZ3 LYS 3 HZ3 LYS 3 78.139 8.600 8.027
24 H GLY 4 H GLY 4 78.376 1.894 4.305
25 HA2 GLY 4 HA3 GLY 4 80.365 1.397 3.275
26 HA3 GLY 4 HA2 GLY 4 80.109 2.967 2.526
27 HA PRO 5 HA PRO 5 83.200 4.072 6.011
28 HB2 PRO 5 HB2 PRO 5 84.165 2.173 7.754
29 HB3 PRO 5 HB3 PRO 5 82.666 3.113 8.016
30 HG2 PRO 5 HG2 PRO 5 82.929 0.315 6.890
31 HG3 PRO 5 HG3 PRO 5 81.801 0.901 8.148
32 HD2 PRO 5 HD2 PRO 5 81.069 0.631 5.532
33 HD3 PRO 5 HD3 PRO 5 80.434 1.956 6.556
34 H LYS 6 H LYS 6 85.297 4.406 5.491
35 HA LYS 6 HA LYS 6 86.528 3.001 3.341
36 HB2 LYS 6 HB2 LYS 6 86.831 5.452 4.084
37 HB3 LYS 6 HB3 LYS 6 87.939 4.835 5.316
38 HG2 LYS 6 HG2 LYS 6 89.238 3.737 3.374
39 HG3 LYS 6 HG3 LYS 6 88.181 4.608 2.285
40 HD2 LYS 6 HD2 LYS 6 90.218 5.827 2.446
41 HD3 LYS 6 HD3 LYS 6 88.986 6.767 3.307
42 HE2 LYS 6 HE2 LYS 6 89.819 5.914 5.471
43 HE3 LYS 6 HE3 LYS 6 90.968 4.852 4.644
44 HZ1 LYS 6 HZ1 LYS 6 91.037 7.820 4.425
45 HZ2 LYS 6 HZ2 LYS 6 91.966 6.959 5.458
46 HZ3 LYS 6 HZ3 LYS 6 92.174 6.772 3.853
47 H GLY 7 H GLY 7 88.175 1.551 3.195
48 HA2 GLY 7 HA2 GLY 7 88.850 -0.222 5.365
49 HA3 GLY 7 HA3 GLY 7 89.590 -0.180 3.768
50 HA PRO 8 HA PRO 8 92.416 1.655 7.104
51 HB2 PRO 8 HB2 PRO 8 93.956 -0.436 7.921
52 HB3 PRO 8 HB3 PRO 8 92.303 -0.160 8.554
53 HG2 PRO 8 HG2 PRO 8 93.138 -2.006 6.292
54 HG3 PRO 8 HG3 PRO 8 92.141 -2.412 7.730
55 HD2 PRO 8 HD2 PRO 8 90.997 -1.759 5.341
56 HD3 PRO 8 HD3 PRO 8 90.282 -1.229 6.892
57 H LYS 9 H LYS 9 94.628 2.178 6.988
58 HA LYS 9 HA LYS 9 95.892 2.289 4.437
59 HB2 LYS 9 HB2 LYS 9 96.208 3.918 6.312
60 HB3 LYS 9 HB3 LYS 9 96.987 2.657 7.263
61 HG2 LYS 9 HG2 LYS 9 98.856 2.555 5.700
62 HG3 LYS 9 HG3 LYS 9 98.067 3.729 4.620
63 HD2 LYS 9 HD2 LYS 9 98.237 5.481 6.317
64 HD3 LYS 9 HD3 LYS 9 98.732 4.304 7.536
65 HE2 LYS 9 HE2 LYS 9 100.706 5.408 6.978
66 HE3 LYS 9 HE3 LYS 9 100.814 3.836 6.191
67 HZ1 LYS 9 HZ1 LYS 9 100.046 6.380 4.841
68 HZ2 LYS 9 HZ2 LYS 9 101.530 5.691 4.793
69 HZ3 LYS 9 HZ3 LYS 9 100.238 4.933 4.074
70 H GLY 10 H GLY 10 97.562 1.138 3.479
71 HA2 GLY 10 HA2 GLY 10 97.797 -1.645 4.104
72 HA3 GLY 10 HA3 GLY 10 98.687 -0.760 2.870
73 HA PRO 11 HA PRO 11 101.428 -2.017 6.541
74 HB2 PRO 11 HB2 PRO 11 102.811 -4.146 5.510
75 HB3 PRO 11 HB3 PRO 11 101.197 -4.300 6.268
76 HG2 PRO 11 HG2 PRO 11 101.842 -4.033 3.314
77 HG3 PRO 11 HG3 PRO 11 100.804 -5.265 4.107
78 HD2 PRO 11 HD2 PRO 11 99.713 -3.056 2.972
79 HD3 PRO 11 HD3 PRO 11 99.089 -3.684 4.522
80 H LYS 12 H LYS 12 103.594 -1.545 6.833
81 HA LYS 12 HA LYS 12 104.916 0.233 5.036
82 HB2 LYS 12 HB2 LYS 12 105.170 0.188 7.542
83 HB3 LYS 12 HB3 LYS 12 105.969 -1.370 7.428
84 HG2 LYS 12 HG2 LYS 12 107.900 -0.431 6.367
85 HG3 LYS 12 HG3 LYS 12 107.076 1.110 6.055
86 HD2 LYS 12 HD2 LYS 12 106.976 1.657 8.391
87 HD3 LYS 12 HD3 LYS 12 107.542 0.057 8.883
88 HE2 LYS 12 HE2 LYS 12 109.234 1.902 7.142
89 HE3 LYS 12 HE3 LYS 12 109.211 2.054 8.903
90 HZ1 LYS 12 HZ1 LYS 12 109.977 -0.438 7.472
91 HZ2 LYS 12 HZ2 LYS 12 111.025 0.611 8.175
92 HZ3 LYS 12 HZ3 LYS 12 109.971 -0.227 9.098
93 H GLY 13 H GLY 13 106.631 0.031 3.631
94 HA2 GLY 13 HA2 GLY 13 106.775 -2.417 2.173
95 HA3 GLY 13 HA3 GLY 13 107.714 -0.958 1.875
96 HA PRO 14 HA PRO 14 110.346 -4.463 3.699
97 HB2 PRO 14 HB2 PRO 14 111.531 -5.560 1.501
98 HB3 PRO 14 HB3 PRO 14 109.889 -6.021 2.044
99 HG2 PRO 14 HG2 PRO 14 110.642 -4.008 -0.095
100 HG3 PRO 14 HG3 PRO 14 109.464 -5.354 -0.218
101 HD2 PRO 14 HD2 PRO 14 108.671 -2.805 0.354
102 HD3 PRO 14 HD3 PRO 14 107.882 -4.220 1.111
103 H LYS 15 H LYS 15 112.550 -4.399 4.108
104 HA LYS 15 HA LYS 15 114.013 -1.972 3.721
105 HB2 LYS 15 HB2 LYS 15 114.327 -3.615 5.601
106 HB3 LYS 15 HB3 LYS 15 114.985 -4.786 4.450
107 HG2 LYS 15 HG2 LYS 15 116.908 -3.332 3.994
108 HG3 LYS 15 HG3 LYS 15 116.219 -2.049 5.016
109 HD2 LYS 15 HD2 LYS 15 116.439 -3.443 7.011
110 HD3 LYS 15 HD3 LYS 15 116.859 -4.851 6.031
111 HE2 LYS 15 HE2 LYS 15 118.872 -4.076 7.011
112 HE3 LYS 15 HE3 LYS 15 118.949 -3.734 5.285
113 HZ1 LYS 15 HZ1 LYS 15 118.272 -1.731 7.385
114 HZ2 LYS 15 HZ2 LYS 15 119.743 -1.906 6.685
115 HZ3 LYS 15 HZ3 LYS 15 118.459 -1.393 5.780
116 H GLY 16 H GLY 16 115.590 -1.360 2.293
117 HA2 GLY 16 HA2 GLY 16 115.555 -2.426 -0.357
118 HA3 GLY 16 HA3 GLY 16 116.643 -1.186 0.249
119 HA PRO 17 HA PRO 17 118.905 -5.297 -0.483
120 HB2 PRO 17 HB2 PRO 17 120.023 -4.962 -2.953
121 HB3 PRO 17 HB3 PRO 17 118.349 -5.552 -2.714
122 HG2 PRO 17 HG2 PRO 17 119.255 -2.724 -3.315
123 HG3 PRO 17 HG3 PRO 17 117.965 -3.666 -4.132
124 HD2 PRO 17 HD2 PRO 17 117.418 -1.868 -2.144
125 HD3 PRO 17 HD3 PRO 17 116.486 -3.385 -2.323
126 H LYS 18 H LYS 18 121.101 -5.620 -0.151
127 HA LYS 18 HA LYS 18 122.631 -3.531 1.061
128 HB2 LYS 18 HB2 LYS 18 122.690 -5.978 1.595
129 HB3 LYS 18 HB3 LYS 18 123.458 -6.289 0.037
130 HG2 LYS 18 HG2 LYS 18 125.443 -5.036 0.705
131 HG3 LYS 18 HG3 LYS 18 124.667 -4.541 2.226
132 HD2 LYS 18 HD2 LYS 18 124.612 -6.833 3.021
133 HD3 LYS 18 HD3 LYS 18 125.126 -7.448 1.432
134 HE2 LYS 18 HE2 LYS 18 127.269 -6.256 1.634
135 HE3 LYS 18 HE3 LYS 18 126.803 -5.628 3.225
136 HZ1 LYS 18 HZ1 LYS 18 126.918 -8.541 2.643
137 HZ2 LYS 18 HZ2 LYS 18 128.231 -7.721 3.135
138 HZ3 LYS 18 HZ3 LYS 18 126.900 -7.822 4.121
139 H GLY 19 H GLY 19 124.540 -2.509 0.497
140 HA2 GLY 19 HA2 GLY 19 124.817 -1.731 -2.284
141 HA3 GLY 19 HA3 GLY 19 125.803 -1.188 -0.936
142 HA PRO 20 HA PRO 20 128.192 -4.228 -3.693
143 HB2 PRO 20 HB2 PRO 20 129.631 -2.581 -5.321
144 HB3 PRO 20 HB3 PRO 20 127.929 -3.016 -5.660
145 HG2 PRO 20 HG2 PRO 20 128.964 -0.522 -4.272
146 HG3 PRO 20 HG3 PRO 20 127.821 -0.618 -5.651
147 HD2 PRO 20 HD2 PRO 20 126.930 -0.373 -3.088
148 HD3 PRO 20 HD3 PRO 20 126.072 -1.394 -4.275
149 H LYS 21 H LYS 21 130.445 -4.751 -3.605
150 HA LYS 21 HA LYS 21 131.848 -4.045 -1.223
151 HB2 LYS 21 HB2 LYS 21 132.026 -6.194 -2.564
152 HB3 LYS 21 HB3 LYS 21 132.978 -5.302 -3.759
153 HG2 LYS 21 HG2 LYS 21 134.600 -4.741 -1.875
154 HG3 LYS 21 HG3 LYS 21 133.673 -5.789 -0.825
155 HD2 LYS 21 HD2 LYS 21 135.529 -7.053 -1.537
156 HD3 LYS 21 HD3 LYS 21 134.170 -7.678 -2.491
157 HE2 LYS 21 HE2 LYS 21 134.865 -6.275 -4.411
158 HE3 LYS 21 HE3 LYS 21 136.143 -5.535 -3.431
159 HZ1 LYS 21 HZ1 LYS 21 136.044 -8.440 -4.079
160 HZ2 LYS 21 HZ2 LYS 21 136.953 -7.352 -4.891
161 HZ3 LYS 21 HZ3 LYS 21 137.276 -7.651 -3.320
162 H GLY 22 H GLY 22 133.641 -2.779 -0.810
163 HA2 GLY 22 HA2 GLY 22 134.189 -0.467 -2.518
164 HA3 GLY 22 HA3 GLY 22 134.957 -0.853 -0.987
165 HA PRO 23 HA PRO 23 137.835 -1.821 -4.630
166 HB2 PRO 23 HB2 PRO 23 139.401 0.398 -4.813
167 HB3 PRO 23 HB3 PRO 23 137.772 0.315 -5.549
168 HG2 PRO 23 HG2 PRO 23 138.533 1.496 -2.855
169 HG3 PRO 23 HG3 PRO 23 137.580 2.268 -4.164
170 HD2 PRO 23 HD2 PRO 23 136.367 1.018 -2.064
171 HD3 PRO 23 HD3 PRO 23 135.696 0.925 -3.717
172 H LYS 24 H LYS 24 140.078 -2.338 -4.588
173 HA LYS 24 HA LYS 24 141.181 -3.318 -2.170
174 HB2 LYS 24 HB2 LYS 24 141.664 -4.139 -4.480
175 HB3 LYS 24 HB3 LYS 24 142.475 -2.618 -4.849
176 HG2 LYS 24 HG2 LYS 24 144.253 -3.106 -3.252
177 HG3 LYS 24 HG3 LYS 24 143.420 -4.584 -2.717
178 HD2 LYS 24 HD2 LYS 24 143.686 -5.591 -4.918
179 HD3 LYS 24 HD3 LYS 24 144.295 -4.065 -5.597
180 HE2 LYS 24 HE2 LYS 24 146.265 -4.165 -4.114
181 HE3 LYS 24 HE3 LYS 24 145.684 -5.693 -3.421
182 HZ1 LYS 24 HZ1 LYS 24 146.353 -5.293 -6.296
183 HZ2 LYS 24 HZ2 LYS 24 147.346 -5.996 -5.208
184 HZ3 LYS 24 HZ3 LYS 24 145.922 -6.715 -5.603
185 H GLY 25 H GLY 25 142.790 -2.697 -0.804
186 HA2 GLY 25 HA2 GLY 25 143.186 0.149 -0.355
187 HA3 GLY 25 HA3 GLY 25 143.822 -1.177 0.606
188 HA PRO 26 HA PRO 26 147.210 0.905 -1.955
189 HB2 PRO 26 HB2 PRO 26 148.458 2.479 -0.116
190 HB3 PRO 26 HB3 PRO 26 146.941 2.977 -0.926
191 HG2 PRO 26 HG2 PRO 26 147.257 1.674 1.794
192 HG3 PRO 26 HG3 PRO 26 146.332 3.156 1.387
193 HD2 PRO 26 HD2 PRO 26 145.138 0.702 1.569
194 HD3 PRO 26 HD3 PRO 26 144.612 1.916 0.365
195 H LYS 27 H LYS 27 149.531 0.573 -1.881
196 HA LYS 27 HA LYS 27 150.369 -1.924 -0.884
197 HB2 LYS 27 HB2 LYS 27 151.366 -0.635 -2.853
198 HB3 LYS 27 HB3 LYS 27 152.090 0.489 -1.703
199 HG2 LYS 27 HG2 LYS 27 153.491 -1.323 -0.771
200 HG3 LYS 27 HG3 LYS 27 152.669 -2.509 -1.803
201 HD2 LYS 27 HD2 LYS 27 153.515 -1.348 -3.826
202 HD3 LYS 27 HD3 LYS 27 154.251 -0.107 -2.816
203 HE2 LYS 27 HE2 LYS 27 155.982 -1.580 -3.541
204 HE3 LYS 27 HE3 LYS 27 155.767 -1.793 -1.804
205 HZ1 LYS 27 HZ1 LYS 27 154.580 -3.604 -3.853
206 HZ2 LYS 27 HZ2 LYS 27 155.992 -3.901 -3.098
207 HZ3 LYS 27 HZ3 LYS 27 154.605 -3.861 -2.221
208 H GLY 28 H GLY 28 151.575 -2.613 0.905
209 HA2 GLY 28 HA2 GLY 28 151.298 -1.203 3.345
210 HA3 GLY 28 HA3 GLY 28 152.256 -2.655 3.068
211 HA PRO 29 HA PRO 29 154.866 1.277 3.844
212 HB2 PRO 29 HB2 PRO 29 155.758 0.779 6.422
213 HB3 PRO 29 HB3 PRO 29 154.292 1.714 6.005
214 HG2 PRO 29 HG2 PRO 29 154.486 -1.199 6.792
215 HG3 PRO 29 HG3 PRO 29 153.330 0.036 7.383
216 HD2 PRO 29 HD2 PRO 29 152.632 -1.731 5.440
217 HD3 PRO 29 HD3 PRO 29 152.084 -0.033 5.377
218 H LYS 30 H LYS 30 156.953 1.296 3.295
219 HA LYS 30 HA LYS 30 158.225 -1.217 2.561
220 HB2 LYS 30 HB2 LYS 30 157.918 0.926 1.189
221 HB3 LYS 30 HB3 LYS 30 159.228 1.631 2.142
222 HG2 LYS 30 HG2 LYS 30 160.803 -0.034 1.234
223 HG3 LYS 30 HG3 LYS 30 159.467 -0.932 0.503
224 HD2 LYS 30 HD2 LYS 30 160.659 0.322 -1.192
225 HD3 LYS 30 HD3 LYS 30 159.015 0.955 -1.024
226 HE2 LYS 30 HE2 LYS 30 159.877 2.827 0.374
227 HE3 LYS 30 HE3 LYS 30 161.516 2.171 0.250
228 HZ1 LYS 30 HZ1 LYS 30 159.891 3.144 -2.048
229 HZ2 LYS 30 HZ2 LYS 30 161.139 3.945 -1.367
230 HZ3 LYS 30 HZ3 LYS 30 161.410 2.545 -2.160
231 H GLY 31 H GLY 31 158.305 0.079 5.497
232 HA2 GLY 31 HA2 GLY 31 160.819 -1.166 6.250
233 HA3 GLY 31 HA3 GLY 31 160.881 0.593 6.378
234 HN1 NH2 32 HN1 NH2 32 161.316 -0.555 8.695
235 HN2 NH2 32 HN2 NH2 32 159.897 -0.538 9.733
236 H1 ACE 33 H1 ACE 33 76.354 -6.269 4.704
237 H2 ACE 33 H2 ACE 33 77.801 -6.380 3.678
238 H3 ACE 33 H3 ACE 33 77.960 -5.967 5.401
239 H ASP 34 H ASP 34 79.176 -4.323 3.716
240 HA ASP 34 HA ASP 34 77.437 -2.045 3.015
241 HB2 ASP 34 HB2 ASP 34 79.249 -2.101 5.355
242 HB3 ASP 34 HB3 ASP 34 79.628 -0.802 4.242
243 HA HYP 35 HA HYP 35 80.389 -2.046 -0.303
244 HB2 HYP 35 HB2 HYP 35 79.457 -0.050 -1.841
245 HB3 HYP 35 HB3 HYP 35 78.405 -1.405 -1.362
246 HG HYP 35 HG HYP 35 78.583 1.348 -0.072
247 HD22 HYP 35 HD22 HYP 35 77.125 -0.864 1.303
248 HD23 HYP 35 HD23 HYP 35 78.154 0.428 1.990
249 HD1 HYP 35 HD1 HYP 35 76.896 0.923 -1.608
250 H GLY 36 H GLY 36 81.682 -0.990 2.013
251 HA2 GLY 36 HA2 GLY 36 82.562 1.700 1.780
252 HA3 GLY 36 HA3 GLY 36 83.354 0.494 2.751
253 H ASP 37 H ASP 37 84.541 2.606 1.392
254 HA ASP 37 HA ASP 37 85.672 1.775 -1.131
255 HB2 ASP 37 HB2 ASP 37 85.922 4.198 0.659
256 HB3 ASP 37 HB3 ASP 37 86.919 4.010 -0.752
257 HA HYP 38 HA HYP 38 89.596 0.008 0.084
258 HB2 HYP 38 HB2 HYP 38 90.870 1.846 -1.926
259 HB3 HYP 38 HB3 HYP 38 91.058 0.082 -1.745
260 HG HYP 38 HG HYP 38 89.506 1.230 -3.702
261 HD22 HYP 38 HD22 HYP 38 88.005 2.490 -2.449
262 HD23 HYP 38 HD23 HYP 38 87.119 0.941 -2.408
263 HD1 HYP 38 HD1 HYP 38 89.662 -1.013 -3.512
264 H GLY 39 H GLY 39 91.426 0.391 1.325
265 HA2 GLY 39 HA2 GLY 39 91.824 3.015 2.579
266 HA3 GLY 39 HA3 GLY 39 92.687 1.529 2.917
267 H ASP 40 H ASP 40 94.062 3.808 2.934
268 HA ASP 40 HA ASP 40 95.260 4.543 0.434
269 HB2 ASP 40 HB2 ASP 40 95.853 5.170 3.354
270 HB3 ASP 40 HB3 ASP 40 96.702 5.910 2.009
271 HA HYP 41 HA HYP 41 98.892 1.935 0.160
272 HB2 HYP 41 HB2 HYP 41 100.488 4.447 -0.211
273 HB3 HYP 41 HB3 HYP 41 100.486 2.959 -1.196
274 HG HYP 41 HG HYP 41 99.193 5.271 -1.953
275 HD22 HYP 41 HD22 HYP 41 97.699 5.610 -0.208
276 HD23 HYP 41 HD23 HYP 41 96.699 4.461 -1.144
277 HD1 HYP 41 HD1 HYP 41 99.155 3.389 -3.224
278 H GLY 42 H GLY 42 100.557 1.137 1.384
279 HA2 GLY 42 HA2 GLY 42 101.081 2.124 4.060
280 HA3 GLY 42 HA3 GLY 42 101.896 0.800 3.242
281 H ASP 43 H ASP 43 103.275 2.504 4.930
282 HA ASP 43 HA ASP 43 104.548 4.658 3.531
283 HB2 ASP 43 HB2 ASP 43 105.092 3.218 6.154
284 HB3 ASP 43 HB3 ASP 43 105.956 4.656 5.625
285 HA HYP 44 HA HYP 44 107.941 2.697 1.483
286 HB2 HYP 44 HB2 HYP 44 109.771 4.766 2.667
287 HB3 HYP 44 HB3 HYP 44 109.561 4.301 0.957
288 HG HYP 44 HG HYP 44 108.496 6.604 1.989
289 HD22 HYP 44 HD22 HYP 44 107.268 5.738 3.783
290 HD23 HYP 44 HD23 HYP 44 106.013 5.678 2.513
291 HD1 HYP 44 HD1 HYP 44 108.056 6.085 -0.141
292 H GLY 45 H GLY 45 109.628 1.239 1.762
293 HA2 GLY 45 HA2 GLY 45 110.324 0.299 4.430
294 HA3 GLY 45 HA3 GLY 45 110.981 -0.263 2.897
295 H ASP 46 H ASP 46 112.595 -0.012 5.141
296 HA ASP 46 HA ASP 46 114.029 2.500 5.187
297 HB2 ASP 46 HB2 ASP 46 114.374 -0.235 6.458
298 HB3 ASP 46 HB3 ASP 46 115.604 1.005 6.612
299 HA HYP 47 HA HYP 47 117.143 1.819 2.048
300 HB2 HYP 47 HB2 HYP 47 119.184 2.605 4.106
301 HB3 HYP 47 HB3 HYP 47 118.962 3.231 2.451
302 HG HYP 47 HG HYP 47 118.168 4.619 4.676
303 HD22 HYP 47 HD22 HYP 47 116.740 3.075 5.700
304 HD23 HYP 47 HD23 HYP 47 115.544 3.860 4.628
305 HD1 HYP 47 HD1 HYP 47 116.660 5.642 3.348
306 H GLY 48 H GLY 48 118.719 0.346 1.362
307 HA2 GLY 48 HA2 GLY 48 119.261 -2.053 2.908
308 HA3 GLY 48 HA3 GLY 48 120.030 -1.586 1.400
309 H ASP 49 H ASP 49 121.443 -2.819 3.491
310 HA ASP 49 HA ASP 49 122.802 -0.875 5.112
311 HB2 ASP 49 HB2 ASP 49 123.203 -3.834 4.551
312 HB3 ASP 49 HB3 ASP 49 124.082 -2.925 5.734
313 HA HYP 50 HA HYP 50 126.336 0.143 2.561
314 HB2 HYP 50 HB2 HYP 50 128.059 -0.644 4.893
315 HB3 HYP 50 HB3 HYP 50 128.092 0.855 3.931
316 HG HYP 50 HG HYP 50 126.986 0.722 6.442
317 HD22 HYP 50 HD22 HYP 50 125.394 -0.950 6.168
318 HD23 HYP 50 HD23 HYP 50 124.396 0.433 5.636
319 HD1 HYP 50 HD1 HYP 50 126.936 2.649 5.285
320 H GLY 51 H GLY 51 127.755 -0.882 1.185
321 HA2 GLY 51 HA2 GLY 51 127.911 -3.759 1.060
322 HA3 GLY 51 HA3 GLY 51 128.856 -2.614 0.115
323 H ASP 52 H ASP 52 130.028 -4.966 0.905
324 HA ASP 52 HA ASP 52 131.375 -4.824 3.404
325 HB2 ASP 52 HB2 ASP 52 131.611 -6.508 0.926
326 HB3 ASP 52 HB3 ASP 52 132.846 -6.609 2.173
327 HA HYP 53 HA HYP 53 134.949 -2.207 2.589
328 HB2 HYP 53 HB2 HYP 53 136.428 -4.263 4.203
329 HB3 HYP 53 HB3 HYP 53 136.426 -2.490 4.383
330 HG HYP 53 HG HYP 53 135.031 -4.141 6.064
331 HD22 HYP 53 HD22 HYP 53 133.709 -5.325 4.536
332 HD23 HYP 53 HD23 HYP 53 132.615 -3.942 4.825
333 HD1 HYP 53 HD1 HYP 53 133.592 -2.405 6.394
334 H GLY 54 H GLY 54 136.645 -2.154 1.148
335 HA2 GLY 54 HA2 GLY 54 137.110 -4.212 -0.756
336 HA3 GLY 54 HA3 GLY 54 138.116 -2.803 -0.484
337 H ASP 55 H ASP 55 139.159 -5.186 -1.339
338 HA ASP 55 HA ASP 55 140.184 -6.871 0.705
339 HB2 ASP 55 HB2 ASP 55 140.963 -6.306 -2.181
340 HB3 ASP 55 HB3 ASP 55 141.771 -7.511 -1.191
341 HA HYP 56 HA HYP 56 143.760 -4.601 2.251
342 HB2 HYP 56 HB2 HYP 56 145.244 -7.199 1.986
343 HB3 HYP 56 HB3 HYP 56 145.127 -6.115 3.397
344 HG HYP 56 HG HYP 56 143.733 -8.478 3.209
345 HD22 HYP 56 HD22 HYP 56 142.537 -8.149 1.236
346 HD23 HYP 56 HD23 HYP 56 141.377 -7.398 2.370
347 HD1 HYP 56 HD1 HYP 56 143.461 -7.200 5.022
348 H GLY 57 H GLY 57 145.586 -3.579 1.407
349 HA2 GLY 57 HA2 GLY 57 146.298 -3.813 -1.377
350 HA3 GLY 57 HA3 GLY 57 147.192 -2.948 -0.141
351 H ASP 58 H ASP 58 148.696 -4.114 -2.043
352 HA ASP 58 HA ASP 58 149.626 -6.752 -1.262
353 HB2 ASP 58 HB2 ASP 58 150.493 -4.625 -3.233
354 HB3 ASP 58 HB3 ASP 58 151.543 -5.977 -2.868
355 HA HYP 59 HA HYP 59 152.497 -5.836 1.904
356 HB2 HYP 59 HB2 HYP 59 154.671 -7.265 0.409
357 HB3 HYP 59 HB3 HYP 59 154.095 -7.527 2.076
358 HG HYP 59 HG HYP 59 153.453 -9.183 -0.031
359 HD22 HYP 59 HD22 HYP 59 152.378 -7.730 -1.482
360 HD23 HYP 59 HD23 HYP 59 150.969 -8.130 -0.462
361 HD1 HYP 59 HD1 HYP 59 152.696 -9.595 2.053
362 H GLY 60 H GLY 60 154.355 -4.619 2.574
363 HA2 GLY 60 HA2 GLY 60 155.562 -2.653 0.810
364 HA3 GLY 60 HA3 GLY 60 156.170 -3.117 2.380
365 H ASP 61 H ASP 61 157.836 -2.580 0.239
366 HA ASP 61 HA ASP 61 158.213 -4.847 -1.442
367 HB2 ASP 61 HB2 ASP 61 158.885 -2.144 -1.682
368 HB3 ASP 61 HB3 ASP 61 160.439 -2.812 -1.253
369 HA HYP 62 HA HYP 62 162.172 -6.279 0.640
370 HB2 HYP 62 HB2 HYP 62 163.146 -5.327 2.968
371 HB3 HYP 62 HB3 HYP 62 163.372 -4.464 1.422
372 HG HYP 62 HG HYP 62 161.324 -3.911 3.589
373 HD22 HYP 62 HD22 HYP 62 159.714 -3.370 2.051
374 HD23 HYP 62 HD23 HYP 62 160.907 -2.731 0.883
375 HD1 HYP 62 HD1 HYP 62 161.944 -1.768 3.072
376 H GLY 63 H GLY 63 162.674 -7.869 2.407
377 HA2 GLY 63 HA2 GLY 63 161.113 -8.363 4.673
378 HA3 GLY 63 HA3 GLY 63 160.280 -9.198 3.360
379 HN1 NH2 64 HN1 NH2 64 162.860 -9.950 1.958
380 HN2 NH2 64 HN2 NH2 64 163.548 -11.211 2.958
381 H1 ACE 65 H1 ACE 65 78.206 -2.980 8.473
382 H2 ACE 65 H2 ACE 65 78.487 -3.767 6.909
383 H3 ACE 65 H3 ACE 65 78.550 -4.723 8.409
384 HA PRO 66 HA PRO 66 82.835 -4.061 8.685
385 HB2 PRO 66 HB2 PRO 66 84.125 -5.470 6.719
386 HB3 PRO 66 HB3 PRO 66 83.149 -6.247 8.002
387 HG2 PRO 66 HG2 PRO 66 82.289 -5.542 5.177
388 HG3 PRO 66 HG3 PRO 66 82.089 -7.103 6.037
389 HD2 PRO 66 HD2 PRO 66 80.099 -5.237 5.909
390 HD3 PRO 66 HD3 PRO 66 80.338 -6.251 7.366
391 HA HYP 67 HA HYP 67 84.732 -0.710 6.256
392 HB2 HYP 67 HB2 HYP 67 87.246 -2.347 6.467
393 HB3 HYP 67 HB3 HYP 67 87.008 -0.606 6.784
394 HG HYP 67 HG HYP 67 87.232 -2.418 8.800
395 HD22 HYP 67 HD22 HYP 67 85.583 -3.968 8.175
396 HD23 HYP 67 HD23 HYP 67 84.578 -2.896 9.192
397 HD1 HYP 67 HD1 HYP 67 85.991 -1.017 10.053
398 H GLY 68 H GLY 68 85.670 -0.266 4.183
399 HA2 GLY 68 HA2 GLY 68 85.668 -2.213 2.039
400 HA3 GLY 68 HA3 GLY 68 86.476 -0.649 2.040
401 HA PRO 69 HA PRO 69 89.411 -4.325 2.365
402 HB2 PRO 69 HB2 PRO 69 90.805 -4.117 -0.002
403 HB3 PRO 69 HB3 PRO 69 89.248 -4.981 0.178
404 HG2 PRO 69 HG2 PRO 69 89.708 -2.147 -0.782
405 HG3 PRO 69 HG3 PRO 69 88.695 -3.417 -1.541
406 HD2 PRO 69 HD2 PRO 69 87.613 -1.497 0.060
407 HD3 PRO 69 HD3 PRO 69 87.008 -3.181 0.103
408 HA HYP 70 HA HYP 70 92.961 -1.874 3.799
409 HB2 HYP 70 HB2 HYP 70 94.612 -4.165 2.781
410 HB3 HYP 70 HB3 HYP 70 94.682 -3.352 4.366
411 HG HYP 70 HG HYP 70 93.504 -5.811 3.989
412 HD22 HYP 70 HD22 HYP 70 91.878 -5.336 2.394
413 HD23 HYP 70 HD23 HYP 70 90.937 -4.885 3.846
414 HD1 HYP 70 HD1 HYP 70 93.535 -4.818 6.022
415 H GLY 71 H GLY 71 94.536 -0.516 2.904
416 HA2 GLY 71 HA2 GLY 71 94.650 -0.187 0.024
417 HA3 GLY 71 HA3 GLY 71 95.624 0.672 1.210
418 HA PRO 72 HA PRO 72 98.060 -2.613 -1.151
419 HB2 PRO 72 HB2 PRO 72 99.670 -0.749 -2.674
420 HB3 PRO 72 HB3 PRO 72 98.410 -1.930 -3.229
421 HG2 PRO 72 HG2 PRO 72 98.161 0.947 -3.127
422 HG3 PRO 72 HG3 PRO 72 96.914 -0.256 -3.618
423 HD2 PRO 72 HD2 PRO 72 97.194 1.200 -1.049
424 HD3 PRO 72 HD3 PRO 72 95.789 0.349 -1.743
425 HA HYP 73 HA HYP 73 101.642 -2.224 1.618
426 HB2 HYP 73 HB2 HYP 73 103.236 -3.373 -0.655
427 HB3 HYP 73 HB3 HYP 73 103.186 -3.885 1.054
428 HG HYP 73 HG HYP 73 101.905 -5.250 -0.953
429 HD22 HYP 73 HD22 HYP 73 100.488 -3.619 -1.833
430 HD23 HYP 73 HD23 HYP 73 99.442 -4.192 -0.499
431 HD1 HYP 73 HD1 HYP 73 100.476 -5.998 0.650
432 H GLY 74 H GLY 74 103.481 -0.942 1.955
433 HA2 GLY 74 HA2 GLY 74 103.945 1.322 0.203
434 HA3 GLY 74 HA3 GLY 74 104.871 0.896 1.639
435 HA PRO 75 HA PRO 75 107.056 -0.186 -2.447
436 HB2 PRO 75 HB2 PRO 75 108.746 1.942 -2.868
437 HB3 PRO 75 HB3 PRO 75 107.049 1.891 -3.433
438 HG2 PRO 75 HG2 PRO 75 108.131 3.161 -0.900
439 HG3 PRO 75 HG3 PRO 75 107.032 3.888 -2.117
440 HD2 PRO 75 HD2 PRO 75 106.072 2.772 0.175
441 HD3 PRO 75 HD3 PRO 75 105.201 2.593 -1.377
442 HA HYP 76 HA HYP 76 110.799 -1.692 -0.339
443 HB2 HYP 76 HB2 HYP 76 112.195 -1.157 -2.945
444 HB3 HYP 76 HB3 HYP 76 112.214 -2.635 -1.948
445 HG HYP 76 HG HYP 76 110.749 -2.404 -4.265
446 HD22 HYP 76 HD22 HYP 76 109.394 -0.573 -3.794
447 HD23 HYP 76 HD23 HYP 76 108.368 -1.841 -3.063
448 HD1 HYP 76 HD1 HYP 76 110.679 -4.306 -3.075
449 H GLY 77 H GLY 77 112.621 -0.807 0.678
450 HA2 GLY 77 HA2 GLY 77 113.214 2.039 0.440
451 HA3 GLY 77 HA3 GLY 77 114.132 0.852 1.354
452 HA PRO 78 HA PRO 78 116.207 2.032 -2.759
453 HB2 PRO 78 HB2 PRO 78 118.125 3.844 -1.994
454 HB3 PRO 78 HB3 PRO 78 116.439 4.296 -2.392
455 HG2 PRO 78 HG2 PRO 78 117.627 3.764 0.350
456 HG3 PRO 78 HG3 PRO 78 116.648 5.175 -0.174
457 HD2 PRO 78 HD2 PRO 78 115.511 3.070 1.122
458 HD3 PRO 78 HD3 PRO 78 114.658 3.894 -0.218
459 HA HYP 79 HA HYP 79 119.710 -0.751 -2.097
460 HB2 HYP 79 HB2 HYP 79 121.291 1.097 -3.863
461 HB3 HYP 79 HB3 HYP 79 121.123 -0.677 -3.960
462 HG HYP 79 HG HYP 79 119.795 1.046 -5.643
463 HD22 HYP 79 HD22 HYP 79 118.605 2.362 -4.137
464 HD23 HYP 79 HD23 HYP 79 117.426 1.031 -4.293
465 HD1 HYP 79 HD1 HYP 79 119.502 -1.190 -5.793
466 H GLY 80 H GLY 80 121.508 -0.889 -0.756
467 HA2 GLY 80 HA2 GLY 80 122.247 1.349 0.924
468 HA3 GLY 80 HA3 GLY 80 123.011 -0.238 0.898
469 HA PRO 81 HA PRO 81 125.610 3.088 -1.289
470 HB2 PRO 81 HB2 PRO 81 127.342 3.970 0.642
471 HB3 PRO 81 HB3 PRO 81 125.697 4.640 0.422
472 HG2 PRO 81 HG2 PRO 81 126.590 2.495 2.370
473 HG3 PRO 81 HG3 PRO 81 125.621 3.965 2.717
474 HD2 PRO 81 HD2 PRO 81 124.446 1.536 2.300
475 HD3 PRO 81 HD3 PRO 81 123.695 3.050 1.710
476 HA HYP 82 HA HYP 82 129.096 0.295 -2.034
477 HB2 HYP 82 HB2 HYP 82 130.835 2.738 -2.020
478 HB3 HYP 82 HB3 HYP 82 130.755 1.428 -3.226
479 HG HYP 82 HG HYP 82 129.619 3.901 -3.623
480 HD22 HYP 82 HD22 HYP 82 128.169 4.063 -1.811
481 HD23 HYP 82 HD23 HYP 82 127.078 3.189 -2.924
482 HD1 HYP 82 HD1 HYP 82 129.438 2.282 -5.182
483 H GLY 83 H GLY 83 130.643 -0.780 -0.842
484 HA2 GLY 83 HA2 GLY 83 131.185 -0.088 1.917
485 HA3 GLY 83 HA3 GLY 83 131.991 -1.339 0.973
486 HA PRO 84 HA PRO 84 134.646 2.577 1.481
487 HB2 PRO 84 HB2 PRO 84 136.210 2.057 3.669
488 HB3 PRO 84 HB3 PRO 84 134.564 2.749 3.789
489 HG2 PRO 84 HG2 PRO 84 135.383 -0.162 4.061
490 HG3 PRO 84 HG3 PRO 84 134.362 0.805 5.176
491 HD2 PRO 84 HD2 PRO 84 133.265 -0.819 3.278
492 HD3 PRO 84 HD3 PRO 84 132.529 0.758 3.690
493 HA HYP 85 HA HYP 85 138.293 0.732 -0.496
494 HB2 HYP 85 HB2 HYP 85 139.912 2.623 1.178
495 HB3 HYP 85 HB3 HYP 85 140.005 2.315 -0.577
496 HG HYP 85 HG HYP 85 138.811 4.547 0.473
497 HD22 HYP 85 HD22 HYP 85 137.206 3.598 1.882
498 HD23 HYP 85 HD23 HYP 85 136.239 3.623 0.380
499 HD1 HYP 85 HD1 HYP 85 137.601 4.638 -1.422
500 H GLY 86 H GLY 86 139.772 -0.873 -0.029
501 HA2 GLY 86 HA2 GLY 86 139.730 -2.165 2.527
502 HA3 GLY 86 HA3 GLY 86 140.810 -2.547 1.187
503 HA PRO 87 HA PRO 87 143.041 -0.392 4.775
504 HB2 PRO 87 HB2 PRO 87 144.259 -2.482 6.062
505 HB3 PRO 87 HB3 PRO 87 142.574 -1.982 6.398
506 HG2 PRO 87 HG2 PRO 87 143.530 -4.194 4.559
507 HG3 PRO 87 HG3 PRO 87 142.269 -4.287 5.830
508 HD2 PRO 87 HD2 PRO 87 141.642 -3.891 3.201
509 HD3 PRO 87 HD3 PRO 87 140.718 -3.097 4.511
510 HA HYP 88 HA HYP 88 147.076 -0.465 2.703
511 HB2 HYP 88 HB2 HYP 88 148.252 -0.583 5.463
512 HB3 HYP 88 HB3 HYP 88 148.675 0.500 4.110
513 HG HYP 88 HG HYP 88 147.173 1.318 6.255
514 HD22 HYP 88 HD22 HYP 88 145.404 -0.204 6.194
515 HD23 HYP 88 HD23 HYP 88 144.719 1.007 5.072
516 HD1 HYP 88 HD1 HYP 88 146.310 2.892 4.891
517 H GLY 89 H GLY 89 148.506 -2.075 2.049
518 HA2 GLY 89 HA2 GLY 89 148.079 -4.791 2.821
519 HA3 GLY 89 HA3 GLY 89 149.440 -4.198 1.871
520 HA PRO 90 HA PRO 90 150.657 -5.612 6.152
521 HB2 PRO 90 HB2 PRO 90 152.239 -7.810 5.139
522 HB3 PRO 90 HB3 PRO 90 150.892 -7.828 6.324
523 HG2 PRO 90 HG2 PRO 90 150.750 -8.770 3.641
524 HG3 PRO 90 HG3 PRO 90 149.373 -8.326 4.671
525 HD2 PRO 90 HD2 PRO 90 150.584 -6.739 2.469
526 HD3 PRO 90 HD3 PRO 90 148.909 -6.786 3.075
527 HA HYP 91 HA HYP 91 154.495 -3.325 5.924
528 HB2 HYP 91 HB2 HYP 91 155.585 -5.123 8.066
529 HB3 HYP 91 HB3 HYP 91 155.567 -3.343 8.001
530 HG HYP 91 HG HYP 91 153.823 -4.804 9.548
531 HD22 HYP 91 HD22 HYP 91 152.737 -6.131 7.965
532 HD23 HYP 91 HD23 HYP 91 151.750 -4.653 7.853
533 HD1 HYP 91 HD1 HYP 91 153.679 -2.570 9.533
534 H GLY 92 H GLY 92 156.446 -3.385 4.911
535 HA2 GLY 92 HA2 GLY 92 157.751 -5.961 4.172
536 HA3 GLY 92 HA3 GLY 92 158.093 -4.383 3.488
537 HA PRO 93 HA PRO 93 160.391 -4.831 7.854
538 HB2 PRO 93 HB2 PRO 93 161.359 -7.615 7.189
539 HB3 PRO 93 HB3 PRO 93 161.099 -6.858 8.789
540 HG2 PRO 93 HG2 PRO 93 159.285 -8.596 7.769
541 HG3 PRO 93 HG3 PRO 93 158.739 -7.105 8.601
542 HD2 PRO 93 HD2 PRO 93 158.946 -7.623 5.626
543 HD3 PRO 93 HD3 PRO 93 157.651 -6.830 6.573
544 HA HYP 94 HA HYP 94 163.518 -3.697 4.821
545 HB2 HYP 94 HB2 HYP 94 165.179 -2.120 6.311
546 HB3 HYP 94 HB3 HYP 94 163.537 -1.646 5.791
547 HG HYP 94 HG HYP 94 164.413 -2.747 8.478
548 HD22 HYP 94 HD22 HYP 94 162.447 -3.931 8.737
549 HD23 HYP 94 HD23 HYP 94 161.511 -2.809 7.709
550 HD1 HYP 94 HD1 HYP 94 164.014 -0.498 8.268
551 H GLY 95 H GLY 95 164.222 -5.816 7.404
552 HA2 GLY 95 HA2 GLY 95 166.724 -6.722 6.031
553 HA3 GLY 95 HA3 GLY 95 166.658 -6.547 7.787
554 HN1 NH2 96 HN1 NH2 96 163.767 -7.746 6.117
555 HN2 NH2 96 HN2 NH2 96 163.958 -9.412 6.631
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 75.134 14.398 5.534
2 H2 ACE 1 H2 ACE 1 75.686 13.501 6.963
3 H3 ACE 1 H3 ACE 1 76.876 14.246 5.872
4 HA PRO 2 HA PRO 2 75.413 10.937 2.773
5 HB2 PRO 2 HB2 PRO 2 77.922 12.033 1.490
6 HB3 PRO 2 HB3 PRO 2 76.440 11.406 0.704
7 HG2 PRO 2 HG2 PRO 2 76.841 14.073 0.919
8 HG3 PRO 2 HG3 PRO 2 75.221 13.385 1.269
9 HD2 PRO 2 HD2 PRO 2 77.373 14.221 3.227
10 HD3 PRO 2 HD3 PRO 2 75.608 14.510 3.286
11 H LYS 3 H LYS 3 76.322 8.975 2.358
12 HA LYS 3 HA LYS 3 77.442 7.042 2.593
13 HB2 LYS 3 HB2 LYS 3 79.848 8.898 2.724
14 HB3 LYS 3 HB3 LYS 3 79.985 7.165 2.813
15 HG2 LYS 3 HG2 LYS 3 80.465 7.684 0.635
16 HG3 LYS 3 HG3 LYS 3 78.876 6.929 0.600
17 HD2 LYS 3 HD2 LYS 3 77.786 9.036 0.197
18 HD3 LYS 3 HD3 LYS 3 79.252 9.962 0.562
19 HE2 LYS 3 HE2 LYS 3 79.048 7.962 -1.737
20 HE3 LYS 3 HE3 LYS 3 78.634 9.670 -1.910
21 HZ1 LYS 3 HZ1 LYS 3 81.344 8.659 -1.133
22 HZ2 LYS 3 HZ2 LYS 3 80.919 9.283 -2.579
23 HZ3 LYS 3 HZ3 LYS 3 80.915 10.237 -1.258
24 H GLY 4 H GLY 4 78.360 5.500 3.864
25 HA2 GLY 4 HA2 GLY 4 78.696 5.868 6.774
26 HA3 GLY 4 HA3 GLY 4 78.958 4.401 5.831
27 HA PRO 5 HA PRO 5 82.924 6.546 7.116
28 HB2 PRO 5 HB2 PRO 5 84.233 4.367 8.260
29 HB3 PRO 5 HB3 PRO 5 83.179 5.530 9.112
30 HG2 PRO 5 HG2 PRO 5 82.494 2.789 8.081
31 HG3 PRO 5 HG3 PRO 5 81.993 3.562 9.609
32 HD2 PRO 5 HD2 PRO 5 80.361 3.418 7.409
33 HD3 PRO 5 HD3 PRO 5 80.308 4.798 8.547
34 H LYS 6 H LYS 6 84.726 6.768 5.963
35 HA LYS 6 HA LYS 6 85.314 5.303 3.543
36 HB2 LYS 6 HB2 LYS 6 85.847 7.709 3.966
37 HB3 LYS 6 HB3 LYS 6 86.972 7.232 5.240
38 HG2 LYS 6 HG2 LYS 6 88.414 6.119 3.588
39 HG3 LYS 6 HG3 LYS 6 87.267 6.509 2.290
40 HD2 LYS 6 HD2 LYS 6 87.680 8.875 2.528
41 HD3 LYS 6 HD3 LYS 6 88.581 8.629 4.042
42 HE2 LYS 6 HE2 LYS 6 90.312 7.361 2.851
43 HE3 LYS 6 HE3 LYS 6 89.446 7.553 1.319
44 HZ1 LYS 6 HZ1 LYS 6 90.426 9.857 2.924
45 HZ2 LYS 6 HZ2 LYS 6 91.312 9.158 1.747
46 HZ3 LYS 6 HZ3 LYS 6 89.882 9.896 1.375
47 H GLY 7 H GLY 7 86.961 3.853 3.086
48 HA2 GLY 7 HA2 GLY 7 87.649 1.896 5.056
49 HA3 GLY 7 HA3 GLY 7 88.330 2.013 3.436
50 HA PRO 8 HA PRO 8 91.332 3.485 6.852
51 HB2 PRO 8 HB2 PRO 8 92.733 1.260 7.592
52 HB3 PRO 8 HB3 PRO 8 91.142 1.686 8.294
53 HG2 PRO 8 HG2 PRO 8 91.713 -0.225 6.008
54 HG3 PRO 8 HG3 PRO 8 90.726 -0.531 7.477
55 HD2 PRO 8 HD2 PRO 8 89.567 0.218 5.131
56 HD3 PRO 8 HD3 PRO 8 88.970 0.837 6.693
57 H LYS 9 H LYS 9 93.554 3.906 6.670
58 HA LYS 9 HA LYS 9 94.751 3.943 4.073
59 HB2 LYS 9 HB2 LYS 9 95.182 5.508 6.038
60 HB3 LYS 9 HB3 LYS 9 96.115 4.204 6.786
61 HG2 LYS 9 HG2 LYS 9 97.554 4.204 4.678
62 HG3 LYS 9 HG3 LYS 9 96.678 5.629 4.143
63 HD2 LYS 9 HD2 LYS 9 98.726 6.380 5.103
64 HD3 LYS 9 HD3 LYS 9 97.460 6.784 6.278
65 HE2 LYS 9 HE2 LYS 9 98.039 4.772 7.605
66 HE3 LYS 9 HE3 LYS 9 99.228 4.285 6.386
67 HZ1 LYS 9 HZ1 LYS 9 100.563 6.206 6.925
68 HZ2 LYS 9 HZ2 LYS 9 99.411 6.824 7.931
69 HZ3 LYS 9 HZ3 LYS 9 100.209 5.455 8.328
70 H GLY 10 H GLY 10 96.350 2.713 3.125
71 HA2 GLY 10 HA2 GLY 10 96.645 -0.066 3.839
72 HA3 GLY 10 HA3 GLY 10 97.539 0.794 2.594
73 HA PRO 11 HA PRO 11 100.253 -0.110 6.396
74 HB2 PRO 11 HB2 PRO 11 101.536 -2.420 5.731
75 HB3 PRO 11 HB3 PRO 11 99.892 -2.410 6.440
76 HG2 PRO 11 HG2 PRO 11 100.645 -2.583 3.502
77 HG3 PRO 11 HG3 PRO 11 99.538 -3.657 4.419
78 HD2 PRO 11 HD2 PRO 11 98.597 -1.566 2.943
79 HD3 PRO 11 HD3 PRO 11 97.856 -2.004 4.509
80 H LYS 12 H LYS 12 102.538 0.136 6.561
81 HA LYS 12 HA LYS 12 103.858 1.719 4.614
82 HB2 LYS 12 HB2 LYS 12 104.345 1.599 7.083
83 HB3 LYS 12 HB3 LYS 12 105.093 0.016 6.816
84 HG2 LYS 12 HG2 LYS 12 106.674 1.163 5.191
85 HG3 LYS 12 HG3 LYS 12 105.971 2.704 5.660
86 HD2 LYS 12 HD2 LYS 12 108.013 2.448 6.863
87 HD3 LYS 12 HD3 LYS 12 106.708 2.214 8.041
88 HE2 LYS 12 HE2 LYS 12 106.968 -0.247 7.842
89 HE3 LYS 12 HE3 LYS 12 108.197 -0.028 6.582
90 HZ1 LYS 12 HZ1 LYS 12 108.495 0.950 9.381
91 HZ2 LYS 12 HZ2 LYS 12 109.155 -0.433 8.814
92 HZ3 LYS 12 HZ3 LYS 12 109.652 0.999 8.208
93 H GLY 13 H GLY 13 105.336 1.328 3.031
94 HA2 GLY 13 HA2 GLY 13 105.310 -1.170 1.621
95 HA3 GLY 13 HA3 GLY 13 106.334 0.217 1.270
96 HA PRO 14 HA PRO 14 108.796 -3.423 3.064
97 HB2 PRO 14 HB2 PRO 14 109.981 -4.463 0.830
98 HB3 PRO 14 HB3 PRO 14 108.325 -4.906 1.345
99 HG2 PRO 14 HG2 PRO 14 109.138 -2.821 -0.704
100 HG3 PRO 14 HG3 PRO 14 107.935 -4.139 -0.893
101 HD2 PRO 14 HD2 PRO 14 107.168 -1.614 -0.229
102 HD3 PRO 14 HD3 PRO 14 106.373 -3.038 0.499
103 H LYS 15 H LYS 15 110.967 -3.395 3.566
104 HA LYS 15 HA LYS 15 112.548 -1.042 3.269
105 HB2 LYS 15 HB2 LYS 15 112.744 -2.740 5.096
106 HB3 LYS 15 HB3 LYS 15 113.365 -3.911 3.931
107 HG2 LYS 15 HG2 LYS 15 115.372 -2.561 3.564
108 HG3 LYS 15 HG3 LYS 15 114.734 -1.268 4.605
109 HD2 LYS 15 HD2 LYS 15 114.836 -2.707 6.567
110 HD3 LYS 15 HD3 LYS 15 115.160 -4.125 5.567
111 HE2 LYS 15 HE2 LYS 15 117.215 -3.556 6.571
112 HE3 LYS 15 HE3 LYS 15 117.342 -3.143 4.865
113 HZ1 LYS 15 HZ1 LYS 15 116.807 -1.195 7.055
114 HZ2 LYS 15 HZ2 LYS 15 118.263 -1.457 6.351
115 HZ3 LYS 15 HZ3 LYS 15 117.030 -0.794 5.469
116 H GLY 16 H GLY 16 114.167 -0.445 1.900
117 HA2 GLY 16 HA2 GLY 16 114.123 -1.415 -0.790
118 HA3 GLY 16 HA3 GLY 16 115.268 -0.250 -0.131
119 HA PRO 17 HA PRO 17 117.358 -4.431 -0.963
120 HB2 PRO 17 HB2 PRO 17 118.488 -4.101 -3.423
121 HB3 PRO 17 HB3 PRO 17 116.791 -4.622 -3.197
122 HG2 PRO 17 HG2 PRO 17 117.818 -1.823 -3.753
123 HG3 PRO 17 HG3 PRO 17 116.489 -2.699 -4.581
124 HD2 PRO 17 HD2 PRO 17 116.028 -0.909 -2.558
125 HD3 PRO 17 HD3 PRO 17 115.020 -2.372 -2.776
126 H LYS 18 H LYS 18 119.573 -4.859 -0.772
127 HA LYS 18 HA LYS 18 121.163 -2.971 0.627
128 HB2 LYS 18 HB2 LYS 18 121.196 -5.463 0.810
129 HB3 LYS 18 HB3 LYS 18 121.952 -5.560 -0.784
130 HG2 LYS 18 HG2 LYS 18 123.952 -4.424 0.050
131 HG3 LYS 18 HG3 LYS 18 123.184 -4.156 1.631
132 HD2 LYS 18 HD2 LYS 18 123.103 -6.550 2.063
133 HD3 LYS 18 HD3 LYS 18 123.642 -6.913 0.406
134 HE2 LYS 18 HE2 LYS 18 125.781 -5.773 0.825
135 HE3 LYS 18 HE3 LYS 18 125.282 -5.386 2.481
136 HZ1 LYS 18 HZ1 LYS 18 125.497 -8.166 1.443
137 HZ2 LYS 18 HZ2 LYS 18 126.721 -7.403 2.198
138 HZ3 LYS 18 HZ3 LYS 18 125.314 -7.719 3.013
139 H GLY 19 H GLY 19 123.063 -1.881 0.168
140 HA2 GLY 19 HA2 GLY 19 123.331 -0.772 -2.509
141 HA3 GLY 19 HA3 GLY 19 124.298 -0.370 -1.099
142 HA PRO 20 HA PRO 20 126.801 -3.030 -4.123
143 HB2 PRO 20 HB2 PRO 20 128.218 -1.188 -5.536
144 HB3 PRO 20 HB3 PRO 20 126.524 -1.600 -5.943
145 HG2 PRO 20 HG2 PRO 20 127.512 0.734 -4.266
146 HG3 PRO 20 HG3 PRO 20 126.383 0.779 -5.659
147 HD2 PRO 20 HD2 PRO 20 125.480 0.710 -3.081
148 HD3 PRO 20 HD3 PRO 20 124.629 -0.149 -4.395
149 H LYS 21 H LYS 21 129.071 -3.510 -4.023
150 HA LYS 21 HA LYS 21 130.367 -3.093 -1.536
151 HB2 LYS 21 HB2 LYS 21 130.725 -4.984 -3.207
152 HB3 LYS 21 HB3 LYS 21 131.697 -3.860 -4.168
153 HG2 LYS 21 HG2 LYS 21 133.163 -3.543 -2.112
154 HG3 LYS 21 HG3 LYS 21 132.221 -4.781 -1.303
155 HD2 LYS 21 HD2 LYS 21 134.235 -5.787 -2.062
156 HD3 LYS 21 HD3 LYS 21 132.945 -6.401 -3.112
157 HE2 LYS 21 HE2 LYS 21 133.581 -4.787 -4.867
158 HE3 LYS 21 HE3 LYS 21 134.776 -4.044 -3.790
159 HZ1 LYS 21 HZ1 LYS 21 134.922 -6.884 -4.674
160 HZ2 LYS 21 HZ2 LYS 21 135.731 -5.666 -5.402
161 HZ3 LYS 21 HZ3 LYS 21 136.089 -6.050 -3.861
162 H GLY 22 H GLY 22 132.032 -1.814 -0.821
163 HA2 GLY 22 HA2 GLY 22 132.442 0.803 -1.994
164 HA3 GLY 22 HA3 GLY 22 133.277 0.133 -0.597
165 HA PRO 23 HA PRO 23 136.143 0.217 -4.382
166 HB2 PRO 23 HB2 PRO 23 137.502 2.557 -4.097
167 HB3 PRO 23 HB3 PRO 23 135.879 2.486 -4.849
168 HG2 PRO 23 HG2 PRO 23 136.561 3.160 -1.967
169 HG3 PRO 23 HG3 PRO 23 135.526 4.090 -3.100
170 HD2 PRO 23 HD2 PRO 23 134.471 2.330 -1.295
171 HD3 PRO 23 HD3 PRO 23 133.771 2.530 -2.928
172 H LYS 24 H LYS 24 138.446 -0.079 -4.397
173 HA LYS 24 HA LYS 24 139.623 -1.421 -2.211
174 HB2 LYS 24 HB2 LYS 24 140.264 -1.531 -4.664
175 HB3 LYS 24 HB3 LYS 24 141.046 0.042 -4.471
176 HG2 LYS 24 HG2 LYS 24 142.433 -1.092 -2.594
177 HG3 LYS 24 HG3 LYS 24 141.768 -2.612 -3.157
178 HD2 LYS 24 HD2 LYS 24 143.917 -2.380 -4.141
179 HD3 LYS 24 HD3 LYS 24 142.754 -2.078 -5.446
180 HE2 LYS 24 HE2 LYS 24 143.061 0.372 -5.150
181 HE3 LYS 24 HE3 LYS 24 144.142 0.086 -3.779
182 HZ1 LYS 24 HZ1 LYS 24 144.694 -0.791 -6.570
183 HZ2 LYS 24 HZ2 LYS 24 145.374 0.504 -5.841
184 HZ3 LYS 24 HZ3 LYS 24 145.710 -1.000 -5.293
185 H GLY 25 H GLY 25 141.030 -0.887 -0.598
186 HA2 GLY 25 HA2 GLY 25 141.147 1.812 0.438
187 HA3 GLY 25 HA3 GLY 25 142.011 0.406 1.053
188 HA PRO 26 HA PRO 26 144.876 3.409 -1.226
189 HB2 PRO 26 HB2 PRO 26 145.983 4.882 0.773
190 HB3 PRO 26 HB3 PRO 26 144.354 5.238 0.120
191 HG2 PRO 26 HG2 PRO 26 145.050 3.620 2.591
192 HG3 PRO 26 HG3 PRO 26 143.885 4.977 2.459
193 HD2 PRO 26 HD2 PRO 26 143.091 2.364 2.305
194 HD3 PRO 26 HD3 PRO 26 142.310 3.642 1.330
195 H LYS 27 H LYS 27 147.185 3.392 -1.353
196 HA LYS 27 HA LYS 27 148.511 0.968 -0.718
197 HB2 LYS 27 HB2 LYS 27 149.096 2.544 -2.565
198 HB3 LYS 27 HB3 LYS 27 149.676 3.713 -1.372
199 HG2 LYS 27 HG2 LYS 27 151.444 2.159 -0.660
200 HG3 LYS 27 HG3 LYS 27 150.829 0.912 -1.768
201 HD2 LYS 27 HD2 LYS 27 151.388 2.265 -3.705
202 HD3 LYS 27 HD3 LYS 27 151.771 3.667 -2.679
203 HE2 LYS 27 HE2 LYS 27 153.614 2.398 -1.618
204 HE3 LYS 27 HE3 LYS 27 153.268 1.004 -2.652
205 HZ1 LYS 27 HZ1 LYS 27 154.042 3.687 -3.688
206 HZ2 LYS 27 HZ2 LYS 27 155.095 2.460 -3.464
207 HZ3 LYS 27 HZ3 LYS 27 153.888 2.317 -4.575
208 H GLY 28 H GLY 28 149.916 0.320 0.859
209 HA2 GLY 28 HA2 GLY 28 149.540 1.324 3.491
210 HA3 GLY 28 HA3 GLY 28 150.696 0.085 3.015
211 HA PRO 29 HA PRO 29 152.823 4.199 4.189
212 HB2 PRO 29 HB2 PRO 29 153.525 3.785 6.809
213 HB3 PRO 29 HB3 PRO 29 151.942 4.448 6.308
214 HG2 PRO 29 HG2 PRO 29 152.613 1.574 7.005
215 HG3 PRO 29 HG3 PRO 29 151.247 2.567 7.603
216 HD2 PRO 29 HD2 PRO 29 150.948 0.821 5.534
217 HD3 PRO 29 HD3 PRO 29 150.099 2.393 5.552
218 H LYS 30 H LYS 30 154.953 4.370 3.745
219 HA LYS 30 HA LYS 30 156.557 2.115 3.075
220 HB2 LYS 30 HB2 LYS 30 156.578 4.374 2.039
221 HB3 LYS 30 HB3 LYS 30 157.372 5.029 3.476
222 HG2 LYS 30 HG2 LYS 30 159.368 3.714 3.050
223 HG3 LYS 30 HG3 LYS 30 158.543 2.782 1.785
224 HD2 LYS 30 HD2 LYS 30 158.320 4.812 0.401
225 HD3 LYS 30 HD3 LYS 30 159.136 5.768 1.660
226 HE2 LYS 30 HE2 LYS 30 161.165 4.380 1.427
227 HE3 LYS 30 HE3 LYS 30 160.357 3.353 0.238
228 HZ1 LYS 30 HZ1 LYS 30 160.930 6.251 -0.134
229 HZ2 LYS 30 HZ2 LYS 30 161.755 5.032 -0.837
230 HZ3 LYS 30 HZ3 LYS 30 160.194 5.294 -1.238
231 H GLY 31 H GLY 31 156.336 3.761 6.129
232 HA2 GLY 31 HA2 GLY 31 158.557 2.063 7.240
233 HA3 GLY 31 HA3 GLY 31 158.303 3.743 7.711
234 HN1 NH2 32 HN1 NH2 32 155.436 1.723 7.235
235 HN2 NH2 32 HN2 NH2 32 155.083 1.534 8.944
236 H1 ACE 33 H1 ACE 33 76.438 6.423 -1.339
237 H2 ACE 33 H2 ACE 33 77.242 5.075 -0.515
238 H3 ACE 33 H3 ACE 33 76.309 6.273 0.419
239 H ASP 34 H ASP 34 73.769 3.658 0.092
240 HA ASP 34 HA ASP 34 74.875 4.992 2.169
241 HB2 ASP 34 HB2 ASP 34 73.219 3.186 2.404
242 HB3 ASP 34 HB3 ASP 34 74.494 1.990 2.178
243 HA HYP 35 HA HYP 35 78.704 1.987 2.467
244 HB2 HYP 35 HB2 HYP 35 79.196 1.659 -0.498
245 HB3 HYP 35 HB3 HYP 35 79.639 0.555 0.832
246 HG HYP 35 HG HYP 35 77.428 0.097 -0.667
247 HD22 HYP 35 HD22 HYP 35 76.417 2.206 -0.599
248 HD23 HYP 35 HD23 HYP 35 75.601 1.466 0.806
249 HD1 HYP 35 HD1 HYP 35 77.765 -1.148 1.183
250 H GLY 36 H GLY 36 80.439 3.104 3.093
251 HA2 GLY 36 HA2 GLY 36 81.331 5.594 1.982
252 HA3 GLY 36 HA3 GLY 36 82.165 4.632 3.191
253 H ASP 37 H ASP 37 83.574 6.073 1.411
254 HA ASP 37 HA ASP 37 84.241 4.676 -1.024
255 HB2 ASP 37 HB2 ASP 37 85.214 7.189 0.384
256 HB3 ASP 37 HB3 ASP 37 85.921 6.639 -1.123
257 HA HYP 38 HA HYP 38 87.907 2.326 -0.008
258 HB2 HYP 38 HB2 HYP 38 89.389 3.845 -2.136
259 HB3 HYP 38 HB3 HYP 38 89.250 2.084 -1.915
260 HG HYP 38 HG HYP 38 87.839 3.456 -3.824
261 HD22 HYP 38 HD22 HYP 38 86.731 5.034 -2.531
262 HD23 HYP 38 HD23 HYP 38 85.525 3.723 -2.420
263 HD1 HYP 38 HD1 HYP 38 87.517 1.250 -3.590
264 H GLY 39 H GLY 39 89.969 2.363 0.985
265 HA2 GLY 39 HA2 GLY 39 90.829 4.870 2.258
266 HA3 GLY 39 HA3 GLY 39 91.474 3.262 2.529
267 H ASP 40 H ASP 40 93.086 5.541 2.333
268 HA ASP 40 HA ASP 40 94.226 5.814 -0.313
269 HB2 ASP 40 HB2 ASP 40 94.802 6.970 2.433
270 HB3 ASP 40 HB3 ASP 40 95.818 7.311 1.048
271 HA HYP 41 HA HYP 41 97.706 3.003 -0.184
272 HB2 HYP 41 HB2 HYP 41 99.433 5.329 -0.971
273 HB3 HYP 41 HB3 HYP 41 99.315 3.716 -1.722
274 HG HYP 41 HG HYP 41 98.159 5.967 -2.800
275 HD22 HYP 41 HD22 HYP 41 96.767 6.665 -1.079
276 HD23 HYP 41 HD23 HYP 41 95.645 5.503 -1.840
277 HD1 HYP 41 HD1 HYP 41 97.930 3.967 -3.811
278 H GLY 42 H GLY 42 99.560 2.424 1.004
279 HA2 GLY 42 HA2 GLY 42 100.068 3.710 3.549
280 HA3 GLY 42 HA3 GLY 42 100.895 2.328 2.881
281 H ASP 43 H ASP 43 102.275 4.019 4.388
282 HA ASP 43 HA ASP 43 103.661 6.098 2.948
283 HB2 ASP 43 HB2 ASP 43 104.009 4.702 5.625
284 HB3 ASP 43 HB3 ASP 43 105.133 5.926 5.057
285 HA HYP 44 HA HYP 44 106.887 3.800 0.994
286 HB2 HYP 44 HB2 HYP 44 108.934 5.739 1.987
287 HB3 HYP 44 HB3 HYP 44 108.560 5.251 0.312
288 HG HYP 44 HG HYP 44 107.796 7.675 1.366
289 HD22 HYP 44 HD22 HYP 44 106.556 6.945 3.216
290 HD23 HYP 44 HD23 HYP 44 105.254 7.008 1.996
291 HD1 HYP 44 HD1 HYP 44 107.240 7.105 -0.752
292 H GLY 45 H GLY 45 108.426 2.228 1.331
293 HA2 GLY 45 HA2 GLY 45 109.159 1.213 3.903
294 HA3 GLY 45 HA3 GLY 45 109.897 0.809 2.375
295 H ASP 46 H ASP 46 111.228 0.964 4.833
296 HA ASP 46 HA ASP 46 112.806 3.357 5.054
297 HB2 ASP 46 HB2 ASP 46 113.020 0.517 6.124
298 HB3 ASP 46 HB3 ASP 46 114.216 1.751 6.469
299 HA HYP 47 HA HYP 47 115.904 2.672 1.904
300 HB2 HYP 47 HB2 HYP 47 117.976 3.240 4.000
301 HB3 HYP 47 HB3 HYP 47 117.796 3.958 2.377
302 HG HYP 47 HG HYP 47 117.066 5.275 4.665
303 HD22 HYP 47 HD22 HYP 47 115.546 3.766 5.608
304 HD23 HYP 47 HD23 HYP 47 114.403 4.663 4.569
305 HD1 HYP 47 HD1 HYP 47 115.727 6.487 3.373
306 H GLY 48 H GLY 48 117.377 1.146 1.136
307 HA2 GLY 48 HA2 GLY 48 117.744 -1.372 2.503
308 HA3 GLY 48 HA3 GLY 48 118.602 -0.827 1.064
309 H ASP 49 H ASP 49 119.861 -2.336 3.046
310 HA ASP 49 HA ASP 49 121.319 -0.632 4.876
311 HB2 ASP 49 HB2 ASP 49 121.518 -3.553 4.046
312 HB3 ASP 49 HB3 ASP 49 122.503 -2.815 5.291
313 HA HYP 50 HA HYP 50 124.833 0.479 2.383
314 HB2 HYP 50 HB2 HYP 50 126.588 -0.547 4.592
315 HB3 HYP 50 HB3 HYP 50 126.636 1.030 3.757
316 HG HYP 50 HG HYP 50 125.578 0.702 6.276
317 HD22 HYP 50 HD22 HYP 50 123.917 -0.886 5.899
318 HD23 HYP 50 HD23 HYP 50 122.963 0.566 5.487
319 HD1 HYP 50 HD1 HYP 50 125.585 2.713 5.218
320 H GLY 51 H GLY 51 126.334 -0.408 0.968
321 HA2 GLY 51 HA2 GLY 51 126.506 -3.265 0.553
322 HA3 GLY 51 HA3 GLY 51 127.504 -2.037 -0.205
323 H ASP 52 H ASP 52 128.686 -4.419 0.408
324 HA ASP 52 HA ASP 52 129.910 -4.470 2.985
325 HB2 ASP 52 HB2 ASP 52 130.303 -5.933 0.381
326 HB3 ASP 52 HB3 ASP 52 131.484 -6.103 1.668
327 HA HYP 53 HA HYP 53 133.441 -1.771 2.621
328 HB2 HYP 53 HB2 HYP 53 135.052 -4.002 3.814
329 HB3 HYP 53 HB3 HYP 53 134.942 -2.296 4.324
330 HG HYP 53 HG HYP 53 133.671 -4.317 5.666
331 HD22 HYP 53 HD22 HYP 53 132.406 -5.262 3.937
332 HD23 HYP 53 HD23 HYP 53 131.235 -4.036 4.500
333 HD1 HYP 53 HD1 HYP 53 132.127 -2.761 6.307
334 H GLY 54 H GLY 54 135.130 -1.366 1.238
335 HA2 GLY 54 HA2 GLY 54 135.690 -3.058 -1.009
336 HA3 GLY 54 HA3 GLY 54 136.548 -1.602 -0.555
337 H ASP 55 H ASP 55 137.852 -3.623 -1.758
338 HA ASP 55 HA ASP 55 139.084 -5.528 -0.041
339 HB2 ASP 55 HB2 ASP 55 139.661 -4.422 -2.803
340 HB3 ASP 55 HB3 ASP 55 140.725 -5.598 -2.045
341 HA HYP 56 HA HYP 56 142.362 -3.237 1.971
342 HB2 HYP 56 HB2 HYP 56 144.174 -5.515 1.223
343 HB3 HYP 56 HB3 HYP 56 143.922 -4.762 2.820
344 HG HYP 56 HG HYP 56 142.828 -7.185 2.137
345 HD22 HYP 56 HD22 HYP 56 141.634 -6.619 0.213
346 HD23 HYP 56 HD23 HYP 56 140.372 -6.264 1.427
347 HD1 HYP 56 HD1 HYP 56 142.364 -6.329 4.145
348 H GLY 57 H GLY 57 144.085 -1.877 1.504
349 HA2 GLY 57 HA2 GLY 57 144.853 -1.281 -1.199
350 HA3 GLY 57 HA3 GLY 57 145.611 -0.687 0.263
351 H ASP 58 H ASP 58 147.078 -1.161 -2.005
352 HA ASP 58 HA ASP 58 148.487 -3.673 -1.923
353 HB2 ASP 58 HB2 ASP 58 149.031 -0.952 -3.181
354 HB3 ASP 58 HB3 ASP 58 150.049 -2.363 -3.412
355 HA HYP 59 HA HYP 59 151.297 -2.895 1.447
356 HB2 HYP 59 HB2 HYP 59 153.556 -3.864 -0.255
357 HB3 HYP 59 HB3 HYP 59 153.038 -4.424 1.356
358 HG HYP 59 HG HYP 59 152.552 -5.795 -0.998
359 HD22 HYP 59 HD22 HYP 59 151.169 -4.358 -2.173
360 HD23 HYP 59 HD23 HYP 59 149.898 -5.030 -1.114
361 HD1 HYP 59 HD1 HYP 59 150.942 -6.858 0.156
362 H GLY 60 H GLY 60 152.926 -1.526 2.239
363 HA2 GLY 60 HA2 GLY 60 153.760 0.782 0.649
364 HA3 GLY 60 HA3 GLY 60 154.326 0.366 2.264
365 H ASP 61 H ASP 61 156.006 1.365 0.261
366 HA ASP 61 HA ASP 61 157.663 -0.745 -0.884
367 HB2 ASP 61 HB2 ASP 61 157.870 2.269 -0.526
368 HB3 ASP 61 HB3 ASP 61 159.216 1.328 -1.130
369 HA HYP 62 HA HYP 62 160.377 -1.731 2.481
370 HB2 HYP 62 HB2 HYP 62 162.692 -0.721 0.829
371 HB3 HYP 62 HB3 HYP 62 162.553 -2.235 1.762
372 HG HYP 62 HG HYP 62 162.224 -2.195 -0.943
373 HD22 HYP 62 HD22 HYP 62 160.625 -0.502 -1.170
374 HD23 HYP 62 HD23 HYP 62 159.515 -1.892 -1.007
375 HD1 HYP 62 HD1 HYP 62 161.787 -4.057 0.409
376 H GLY 63 H GLY 63 161.100 -0.814 4.327
377 HA2 GLY 63 HA2 GLY 63 162.727 1.285 4.889
378 HA3 GLY 63 HA3 GLY 63 161.201 2.119 4.582
379 HN1 NH2 64 HN1 NH2 64 160.282 -0.817 5.985
380 HN2 NH2 64 HN2 NH2 64 160.252 -0.281 7.652
381 H1 ACE 65 H1 ACE 65 84.445 -3.479 10.329
382 H2 ACE 65 H2 ACE 65 85.955 -2.934 9.566
383 H3 ACE 65 H3 ACE 65 85.244 -2.000 10.906
384 HA PRO 66 HA PRO 66 83.342 0.650 7.921
385 HB2 PRO 66 HB2 PRO 66 85.825 0.766 6.193
386 HB3 PRO 66 HB3 PRO 66 84.805 2.117 6.776
387 HG2 PRO 66 HG2 PRO 66 87.146 1.580 8.005
388 HG3 PRO 66 HG3 PRO 66 85.686 1.931 8.987
389 HD2 PRO 66 HD2 PRO 66 86.889 -0.767 8.313
390 HD3 PRO 66 HD3 PRO 66 86.285 -0.158 9.884
391 HA HYP 67 HA HYP 67 81.985 -1.780 4.355
392 HB2 HYP 67 HB2 HYP 67 80.602 0.043 2.893
393 HB3 HYP 67 HB3 HYP 67 80.030 -0.515 4.495
394 HG HYP 67 HG HYP 67 81.696 1.963 3.879
395 HD22 HYP 67 HD22 HYP 67 82.522 1.906 6.051
396 HD23 HYP 67 HD23 HYP 67 81.201 0.859 6.650
397 HD1 HYP 67 HD1 HYP 67 79.282 1.540 5.362
398 H GLY 68 H GLY 68 83.851 1.232 3.828
399 HA2 GLY 68 HA2 GLY 68 84.475 0.656 1.042
400 HA3 GLY 68 HA3 GLY 68 85.187 1.916 2.043
401 HA PRO 69 HA PRO 69 87.728 -2.164 1.913
402 HB2 PRO 69 HB2 PRO 69 89.257 -2.114 -0.375
403 HB3 PRO 69 HB3 PRO 69 87.612 -2.812 -0.281
404 HG2 PRO 69 HG2 PRO 69 88.404 -0.034 -1.199
405 HG3 PRO 69 HG3 PRO 69 87.329 -1.205 -2.030
406 HD2 PRO 69 HD2 PRO 69 86.311 0.791 -0.491
407 HD3 PRO 69 HD3 PRO 69 85.580 -0.841 -0.475
408 HA HYP 70 HA HYP 70 91.438 -0.025 3.485
409 HB2 HYP 70 HB2 HYP 70 92.893 -2.489 2.582
410 HB3 HYP 70 HB3 HYP 70 92.969 -1.660 4.159
411 HG HYP 70 HG HYP 70 91.586 -3.997 3.761
412 HD22 HYP 70 HD22 HYP 70 90.093 -3.396 2.073
413 HD23 HYP 70 HD23 HYP 70 89.124 -2.844 3.471
414 HD1 HYP 70 HD1 HYP 70 90.311 -3.396 5.526
415 H GLY 71 H GLY 71 93.241 1.087 2.659
416 HA2 GLY 71 HA2 GLY 71 93.610 1.246 -0.238
417 HA3 GLY 71 HA3 GLY 71 94.554 2.074 0.988
418 HA PRO 72 HA PRO 72 96.812 -1.718 -0.781
419 HB2 PRO 72 HB2 PRO 72 98.402 -0.687 -2.747
420 HB3 PRO 72 HB3 PRO 72 96.686 -1.123 -3.014
421 HG2 PRO 72 HG2 PRO 72 97.832 1.607 -2.353
422 HG3 PRO 72 HG3 PRO 72 96.716 1.180 -3.692
423 HD2 PRO 72 HD2 PRO 72 95.793 2.197 -1.339
424 HD3 PRO 72 HD3 PRO 72 94.892 0.924 -2.214
425 HA HYP 73 HA HYP 73 100.616 -1.034 1.567
426 HB2 HYP 73 HB2 HYP 73 102.068 -2.329 -0.716
427 HB3 HYP 73 HB3 HYP 73 102.177 -2.684 1.029
428 HG HYP 73 HG HYP 73 100.784 -4.268 -0.724
429 HD22 HYP 73 HD22 HYP 73 99.257 -2.745 -1.643
430 HD23 HYP 73 HD23 HYP 73 98.315 -3.217 -0.206
431 HD1 HYP 73 HD1 HYP 73 99.511 -4.887 1.056
432 H GLY 74 H GLY 74 102.335 0.406 1.682
433 HA2 GLY 74 HA2 GLY 74 102.493 2.545 -0.236
434 HA3 GLY 74 HA3 GLY 74 103.562 2.302 1.142
435 HA PRO 75 HA PRO 75 105.720 1.415 -2.952
436 HB2 PRO 75 HB2 PRO 75 107.405 3.747 -2.717
437 HB3 PRO 75 HB3 PRO 75 106.271 3.305 -4.021
438 HG2 PRO 75 HG2 PRO 75 105.912 5.385 -2.112
439 HG3 PRO 75 HG3 PRO 75 104.667 4.678 -3.164
440 HD2 PRO 75 HD2 PRO 75 105.131 4.170 -0.279
441 HD3 PRO 75 HD3 PRO 75 103.639 4.055 -1.245
442 HA HYP 76 HA HYP 76 109.283 -0.422 -0.825
443 HB2 HYP 76 HB2 HYP 76 110.766 0.123 -3.378
444 HB3 HYP 76 HB3 HYP 76 110.672 -1.390 -2.440
445 HG HYP 76 HG HYP 76 109.267 -0.980 -4.768
446 HD22 HYP 76 HD22 HYP 76 108.019 0.918 -4.257
447 HD23 HYP 76 HD23 HYP 76 106.915 -0.321 -3.583
448 HD1 HYP 76 HD1 HYP 76 109.050 -2.911 -3.627
449 H GLY 77 H GLY 77 111.200 0.222 0.204
450 HA2 GLY 77 HA2 GLY 77 111.959 3.037 0.216
451 HA3 GLY 77 HA3 GLY 77 112.798 1.721 1.028
452 HA PRO 78 HA PRO 78 114.980 3.096 -2.972
453 HB2 PRO 78 HB2 PRO 78 116.945 4.791 -2.074
454 HB3 PRO 78 HB3 PRO 78 115.282 5.327 -2.458
455 HG2 PRO 78 HG2 PRO 78 116.419 4.585 0.257
456 HG3 PRO 78 HG3 PRO 78 115.498 6.060 -0.188
457 HD2 PRO 78 HD2 PRO 78 114.274 3.918 0.962
458 HD3 PRO 78 HD3 PRO 78 113.465 4.862 -0.322
459 HA HYP 79 HA HYP 79 118.395 0.170 -2.446
460 HB2 HYP 79 HB2 HYP 79 120.046 2.116 -4.027
461 HB3 HYP 79 HB3 HYP 79 119.860 0.358 -4.258
462 HG HYP 79 HG HYP 79 118.592 2.215 -5.841
463 HD22 HYP 79 HD22 HYP 79 117.386 3.443 -4.271
464 HD23 HYP 79 HD23 HYP 79 116.190 2.143 -4.543
465 HD1 HYP 79 HD1 HYP 79 118.289 -0.018 -6.124
466 H GLY 80 H GLY 80 120.131 -0.115 -1.063
467 HA2 GLY 80 HA2 GLY 80 120.707 1.877 0.893
468 HA3 GLY 80 HA3 GLY 80 121.570 0.353 0.696
469 HA PRO 81 HA PRO 81 124.165 4.059 -0.714
470 HB2 PRO 81 HB2 PRO 81 125.762 4.100 1.696
471 HB3 PRO 81 HB3 PRO 81 124.795 5.410 0.967
472 HG2 PRO 81 HG2 PRO 81 124.174 3.996 3.355
473 HG3 PRO 81 HG3 PRO 81 123.068 5.006 2.399
474 HD2 PRO 81 HD2 PRO 81 123.242 2.040 2.472
475 HD3 PRO 81 HD3 PRO 81 121.858 3.113 2.129
476 HA HYP 82 HA HYP 82 127.603 1.359 -1.932
477 HB2 HYP 82 HB2 HYP 82 129.307 3.805 -1.581
478 HB3 HYP 82 HB3 HYP 82 129.237 2.675 -2.960
479 HG HYP 82 HG HYP 82 128.062 5.159 -3.012
480 HD22 HYP 82 HD22 HYP 82 126.637 5.045 -1.170
481 HD23 HYP 82 HD23 HYP 82 125.548 4.338 -2.401
482 HD1 HYP 82 HD1 HYP 82 127.860 3.799 -4.783
483 H GLY 83 H GLY 83 129.105 0.125 -0.840
484 HA2 GLY 83 HA2 GLY 83 129.316 0.307 1.991
485 HA3 GLY 83 HA3 GLY 83 130.312 -0.718 0.957
486 HA PRO 84 HA PRO 84 132.723 2.921 2.774
487 HB2 PRO 84 HB2 PRO 84 134.124 1.209 4.647
488 HB3 PRO 84 HB3 PRO 84 133.200 2.702 4.964
489 HG2 PRO 84 HG2 PRO 84 132.383 0.083 5.649
490 HG3 PRO 84 HG3 PRO 84 131.317 1.493 5.464
491 HD2 PRO 84 HD2 PRO 84 131.730 -0.742 3.544
492 HD3 PRO 84 HD3 PRO 84 130.292 0.262 3.861
493 HA HYP 85 HA HYP 85 136.354 1.844 0.275
494 HB2 HYP 85 HB2 HYP 85 137.857 3.556 2.231
495 HB3 HYP 85 HB3 HYP 85 137.892 3.596 0.448
496 HG HYP 85 HG HYP 85 136.537 5.450 1.941
497 HD22 HYP 85 HD22 HYP 85 135.105 4.085 3.191
498 HD23 HYP 85 HD23 HYP 85 134.081 4.307 1.738
499 HD1 HYP 85 HD1 HYP 85 135.195 5.738 0.140
500 H GLY 86 H GLY 86 138.063 0.365 0.422
501 HA2 GLY 86 HA2 GLY 86 138.228 -1.370 2.692
502 HA3 GLY 86 HA3 GLY 86 139.351 -1.343 1.336
503 HA PRO 87 HA PRO 87 141.307 0.380 5.302
504 HB2 PRO 87 HB2 PRO 87 142.851 -1.736 6.133
505 HB3 PRO 87 HB3 PRO 87 141.140 -1.516 6.606
506 HG2 PRO 87 HG2 PRO 87 142.251 -3.235 4.369
507 HG3 PRO 87 HG3 PRO 87 141.057 -3.692 5.626
508 HD2 PRO 87 HD2 PRO 87 140.291 -2.917 3.123
509 HD3 PRO 87 HD3 PRO 87 139.338 -2.472 4.571
510 HA HYP 88 HA HYP 88 145.193 1.318 3.165
511 HB2 HYP 88 HB2 HYP 88 146.503 0.987 5.846
512 HB3 HYP 88 HB3 HYP 88 146.669 2.322 4.675
513 HG HYP 88 HG HYP 88 145.144 2.518 6.955
514 HD22 HYP 88 HD22 HYP 88 143.656 0.747 6.682
515 HD23 HYP 88 HD23 HYP 88 142.739 1.983 5.773
516 HD1 HYP 88 HD1 HYP 88 145.258 4.242 5.516
517 H GLY 89 H GLY 89 146.909 0.139 2.278
518 HA2 GLY 89 HA2 GLY 89 146.963 -2.703 2.572
519 HA3 GLY 89 HA3 GLY 89 148.184 -1.736 1.745
520 HA PRO 90 HA PRO 90 149.711 -3.639 5.755
521 HB2 PRO 90 HB2 PRO 90 151.621 -5.238 4.217
522 HB3 PRO 90 HB3 PRO 90 150.526 -5.736 5.536
523 HG2 PRO 90 HG2 PRO 90 150.118 -6.347 2.842
524 HG3 PRO 90 HG3 PRO 90 148.819 -6.177 4.039
525 HD2 PRO 90 HD2 PRO 90 149.616 -4.229 1.932
526 HD3 PRO 90 HD3 PRO 90 148.019 -4.579 2.639
527 HA HYP 91 HA HYP 91 153.007 -0.570 5.832
528 HB2 HYP 91 HB2 HYP 91 154.265 -2.278 7.955
529 HB3 HYP 91 HB3 HYP 91 153.938 -0.524 7.970
530 HG HYP 91 HG HYP 91 152.392 -2.337 9.329
531 HD22 HYP 91 HD22 HYP 91 151.667 -3.749 7.616
532 HD23 HYP 91 HD23 HYP 91 150.417 -2.474 7.482
533 HD1 HYP 91 HD1 HYP 91 150.689 -0.823 9.109
534 H GLY 92 H GLY 92 155.073 -0.249 5.050
535 HA2 GLY 92 HA2 GLY 92 156.182 -2.159 3.296
536 HA3 GLY 92 HA3 GLY 92 156.959 -0.671 3.844
537 HA PRO 93 HA PRO 93 158.605 -4.631 6.041
538 HB2 PRO 93 HB2 PRO 93 160.390 -5.844 4.334
539 HB3 PRO 93 HB3 PRO 93 158.635 -6.195 4.345
540 HG2 PRO 93 HG2 PRO 93 160.135 -4.269 2.547
541 HG3 PRO 93 HG3 PRO 93 158.967 -5.544 2.063
542 HD2 PRO 93 HD2 PRO 93 158.206 -2.949 2.350
543 HD3 PRO 93 HD3 PRO 93 157.132 -4.285 2.867
544 HA HYP 94 HA HYP 94 162.197 -2.483 7.500
545 HB2 HYP 94 HB2 HYP 94 163.579 -5.168 7.616
546 HB3 HYP 94 HB3 HYP 94 163.548 -3.873 8.848
547 HG HYP 94 HG HYP 94 161.924 -6.038 9.061
548 HD22 HYP 94 HD22 HYP 94 160.958 -6.087 6.924
549 HD23 HYP 94 HD23 HYP 94 159.753 -5.066 7.757
550 HD1 HYP 94 HD1 HYP 94 161.687 -4.243 10.451
551 H GLY 95 H GLY 95 162.750 -4.589 4.713
552 HA2 GLY 95 HA2 GLY 95 164.583 -2.704 3.485
553 HA3 GLY 95 HA3 GLY 95 165.405 -4.164 4.037
554 HN1 NH2 96 HN1 NH2 96 165.672 -3.830 1.449
555 HN2 NH2 96 HN2 NH2 96 164.573 -4.829 0.519
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 72.297 3.281 0.200
2 H2 ACE 1 H2 ACE 1 71.529 4.823 -0.222
3 H3 ACE 1 H3 ACE 1 71.395 4.189 1.437
4 HA PRO 2 HA PRO 2 75.177 6.978 0.875
5 HB2 PRO 2 HB2 PRO 2 74.390 9.370 1.892
6 HB3 PRO 2 HB3 PRO 2 73.847 8.804 0.292
7 HG2 PRO 2 HG2 PRO 2 72.358 8.542 2.930
8 HG3 PRO 2 HG3 PRO 2 71.760 9.248 1.391
9 HD2 PRO 2 HD2 PRO 2 71.295 6.639 2.088
10 HD3 PRO 2 HD3 PRO 2 71.551 7.138 0.389
11 H LYS 3 H LYS 3 74.720 4.978 2.883
12 HA LYS 3 HA LYS 3 74.911 5.911 5.586
13 HB2 LYS 3 HB2 LYS 3 75.778 3.243 4.390
14 HB3 LYS 3 HB3 LYS 3 75.560 3.584 6.111
15 HG2 LYS 3 HG2 LYS 3 73.135 4.108 5.668
16 HG3 LYS 3 HG3 LYS 3 73.381 3.653 3.979
17 HD2 LYS 3 HD2 LYS 3 72.438 1.751 4.982
18 HD3 LYS 3 HD3 LYS 3 74.155 1.363 4.803
19 HE2 LYS 3 HE2 LYS 3 74.518 1.954 7.209
20 HE3 LYS 3 HE3 LYS 3 72.808 2.382 7.354
21 HZ1 LYS 3 HZ1 LYS 3 73.844 -0.340 6.742
22 HZ2 LYS 3 HZ2 LYS 3 73.192 0.138 8.159
23 HZ3 LYS 3 HZ3 LYS 3 72.257 0.054 6.826
24 H GLY 4 H GLY 4 77.290 6.006 3.248
25 HA2 GLY 4 HA2 GLY 4 79.645 6.836 3.362
26 HA3 GLY 4 HA3 GLY 4 79.134 7.231 4.965
27 HA PRO 5 HA PRO 5 81.558 3.307 5.939
28 HB2 PRO 5 HB2 PRO 5 81.284 0.929 4.689
29 HB3 PRO 5 HB3 PRO 5 80.013 1.575 5.764
30 HG2 PRO 5 HG2 PRO 5 80.125 1.791 2.733
31 HG3 PRO 5 HG3 PRO 5 78.771 1.200 3.749
32 HD2 PRO 5 HD2 PRO 5 78.939 3.776 2.860
33 HD3 PRO 5 HD3 PRO 5 78.230 3.357 4.449
34 H LYS 6 H LYS 6 82.990 4.999 4.843
35 HA LYS 6 HA LYS 6 84.295 4.623 2.348
36 HB2 LYS 6 HB2 LYS 6 84.467 6.720 3.700
37 HB3 LYS 6 HB3 LYS 6 85.292 5.840 4.982
38 HG2 LYS 6 HG2 LYS 6 87.248 5.491 3.653
39 HG3 LYS 6 HG3 LYS 6 86.458 6.067 2.181
40 HD2 LYS 6 HD2 LYS 6 86.290 8.327 3.117
41 HD3 LYS 6 HD3 LYS 6 86.995 7.791 4.647
42 HE2 LYS 6 HE2 LYS 6 88.410 7.629 1.939
43 HE3 LYS 6 HE3 LYS 6 88.574 8.985 3.058
44 HZ1 LYS 6 HZ1 LYS 6 89.366 6.185 3.673
45 HZ2 LYS 6 HZ2 LYS 6 90.387 7.437 3.356
46 HZ3 LYS 6 HZ3 LYS 6 89.478 7.449 4.716
47 H GLY 7 H GLY 7 86.086 3.563 1.634
48 HA2 GLY 7 HA2 GLY 7 86.785 1.071 2.885
49 HA3 GLY 7 HA3 GLY 7 87.523 1.754 1.443
50 HA PRO 8 HA PRO 8 90.249 2.296 5.340
51 HB2 PRO 8 HB2 PRO 8 91.671 -0.030 5.612
52 HB3 PRO 8 HB3 PRO 8 90.039 0.212 6.304
53 HG2 PRO 8 HG2 PRO 8 90.760 -1.109 3.668
54 HG3 PRO 8 HG3 PRO 8 89.707 -1.754 4.972
55 HD2 PRO 8 HD2 PRO 8 88.632 -0.496 2.825
56 HD3 PRO 8 HD3 PRO 8 87.978 -0.225 4.461
57 H LYS 9 H LYS 9 92.430 2.767 5.460
58 HA LYS 9 HA LYS 9 93.919 3.374 3.072
59 HB2 LYS 9 HB2 LYS 9 94.051 4.669 5.208
60 HB3 LYS 9 HB3 LYS 9 94.670 3.244 6.038
61 HG2 LYS 9 HG2 LYS 9 96.741 3.306 4.825
62 HG3 LYS 9 HG3 LYS 9 96.140 4.560 3.721
63 HD2 LYS 9 HD2 LYS 9 96.054 6.199 5.472
64 HD3 LYS 9 HD3 LYS 9 96.346 5.001 6.737
65 HE2 LYS 9 HE2 LYS 9 98.359 5.558 4.515
66 HE3 LYS 9 HE3 LYS 9 98.315 6.506 6.005
67 HZ1 LYS 9 HZ1 LYS 9 98.719 3.559 5.929
68 HZ2 LYS 9 HZ2 LYS 9 99.893 4.677 6.193
69 HZ3 LYS 9 HZ3 LYS 9 98.691 4.488 7.280
70 H GLY 10 H GLY 10 95.663 2.437 2.112
71 HA2 GLY 10 HA2 GLY 10 95.897 -0.437 2.308
72 HA3 GLY 10 HA3 GLY 10 96.818 0.621 1.250
73 HA PRO 11 HA PRO 11 99.445 -0.997 4.878
74 HB2 PRO 11 HB2 PRO 11 100.745 -3.142 3.797
75 HB3 PRO 11 HB3 PRO 11 99.092 -3.262 4.475
76 HG2 PRO 11 HG2 PRO 11 99.877 -2.837 1.570
77 HG3 PRO 11 HG3 PRO 11 98.782 -4.095 2.236
78 HD2 PRO 11 HD2 PRO 11 97.780 -1.792 1.218
79 HD3 PRO 11 HD3 PRO 11 97.091 -2.499 2.704
80 H LYS 12 H LYS 12 101.723 -0.885 5.135
81 HA LYS 12 HA LYS 12 103.170 0.969 3.505
82 HB2 LYS 12 HB2 LYS 12 103.532 0.599 5.951
83 HB3 LYS 12 HB3 LYS 12 104.106 -1.036 5.618
84 HG2 LYS 12 HG2 LYS 12 106.059 -0.184 4.444
85 HG3 LYS 12 HG3 LYS 12 105.471 1.481 4.563
86 HD2 LYS 12 HD2 LYS 12 105.632 1.365 7.034
87 HD3 LYS 12 HD3 LYS 12 106.158 -0.331 6.922
88 HE2 LYS 12 HE2 LYS 12 108.124 0.404 5.556
89 HE3 LYS 12 HE3 LYS 12 107.626 2.089 5.770
90 HZ1 LYS 12 HZ1 LYS 12 107.947 1.820 8.167
91 HZ2 LYS 12 HZ2 LYS 12 108.344 0.237 7.990
92 HZ3 LYS 12 HZ3 LYS 12 109.327 1.390 7.379
93 H GLY 13 H GLY 13 104.739 0.739 1.980
94 HA2 GLY 13 HA2 GLY 13 104.770 -1.642 0.346
95 HA3 GLY 13 HA3 GLY 13 105.751 -0.199 0.120
96 HA PRO 14 HA PRO 14 108.174 -3.909 1.835
97 HB2 PRO 14 HB2 PRO 14 109.413 -4.937 -0.378
98 HB3 PRO 14 HB3 PRO 14 107.737 -5.355 0.090
99 HG2 PRO 14 HG2 PRO 14 108.639 -3.260 -1.907
100 HG3 PRO 14 HG3 PRO 14 107.418 -4.553 -2.146
101 HD2 PRO 14 HD2 PRO 14 106.670 -2.028 -1.471
102 HD3 PRO 14 HD3 PRO 14 105.842 -3.448 -0.774
103 H LYS 15 H LYS 15 110.332 -4.014 2.368
104 HA LYS 15 HA LYS 15 111.996 -1.696 2.278
105 HB2 LYS 15 HB2 LYS 15 112.027 -3.503 4.006
106 HB3 LYS 15 HB3 LYS 15 112.701 -4.619 2.812
107 HG2 LYS 15 HG2 LYS 15 114.723 -3.201 2.621
108 HG3 LYS 15 HG3 LYS 15 114.038 -2.052 3.789
109 HD2 LYS 15 HD2 LYS 15 114.063 -3.777 5.543
110 HD3 LYS 15 HD3 LYS 15 114.589 -5.002 4.365
111 HE2 LYS 15 HE2 LYS 15 116.650 -3.654 3.927
112 HE3 LYS 15 HE3 LYS 15 116.161 -2.513 5.188
113 HZ1 LYS 15 HZ1 LYS 15 116.636 -5.412 5.673
114 HZ2 LYS 15 HZ2 LYS 15 117.763 -4.257 5.913
115 HZ3 LYS 15 HZ3 LYS 15 116.384 -4.267 6.820
116 H GLY 16 H GLY 16 113.678 -1.074 1.002
117 HA2 GLY 16 HA2 GLY 16 113.802 -2.017 -1.714
118 HA3 GLY 16 HA3 GLY 16 114.858 -0.816 -0.982
119 HA PRO 17 HA PRO 17 117.115 -4.960 -1.644
120 HB2 PRO 17 HB2 PRO 17 118.348 -4.643 -4.060
121 HB3 PRO 17 HB3 PRO 17 116.660 -5.217 -3.901
122 HG2 PRO 17 HG2 PRO 17 117.621 -2.398 -4.473
123 HG3 PRO 17 HG3 PRO 17 116.360 -3.333 -5.339
124 HD2 PRO 17 HD2 PRO 17 115.749 -1.517 -3.383
125 HD3 PRO 17 HD3 PRO 17 114.803 -3.020 -3.607
126 H LYS 18 H LYS 18 119.338 -5.318 -1.318
127 HA LYS 18 HA LYS 18 120.862 -3.308 -0.027
128 HB2 LYS 18 HB2 LYS 18 121.036 -5.810 0.257
129 HB3 LYS 18 HB3 LYS 18 121.845 -5.886 -1.313
130 HG2 LYS 18 HG2 LYS 18 123.595 -4.287 -0.325
131 HG3 LYS 18 HG3 LYS 18 122.806 -4.493 1.230
132 HD2 LYS 18 HD2 LYS 18 124.732 -5.922 1.128
133 HD3 LYS 18 HD3 LYS 18 123.296 -6.962 1.082
134 HE2 LYS 18 HE2 LYS 18 123.521 -7.248 -1.339
135 HE3 LYS 18 HE3 LYS 18 124.804 -6.030 -1.411
136 HZ1 LYS 18 HZ1 LYS 18 125.045 -8.621 0.032
137 HZ2 LYS 18 HZ2 LYS 18 125.678 -8.312 -1.442
138 HZ3 LYS 18 HZ3 LYS 18 126.243 -7.507 -0.140
139 H GLY 19 H GLY 19 122.627 -2.070 -0.603
140 HA2 GLY 19 HA2 GLY 19 122.823 -1.122 -3.332
141 HA3 GLY 19 HA3 GLY 19 123.823 -0.624 -1.975
142 HA PRO 20 HA PRO 20 126.281 -3.309 -5.010
143 HB2 PRO 20 HB2 PRO 20 127.684 -1.446 -6.426
144 HB3 PRO 20 HB3 PRO 20 125.998 -1.891 -6.825
145 HG2 PRO 20 HG2 PRO 20 126.951 0.473 -5.171
146 HG3 PRO 20 HG3 PRO 20 125.802 0.480 -6.547
147 HD2 PRO 20 HD2 PRO 20 124.934 0.417 -3.962
148 HD3 PRO 20 HD3 PRO 20 124.091 -0.485 -5.252
149 H LYS 21 H LYS 21 128.387 -3.983 -4.740
150 HA LYS 21 HA LYS 21 129.875 -3.296 -2.390
151 HB2 LYS 21 HB2 LYS 21 129.876 -5.540 -3.492
152 HB3 LYS 21 HB3 LYS 21 130.612 -4.842 -4.930
153 HG2 LYS 21 HG2 LYS 21 132.683 -4.415 -3.795
154 HG3 LYS 21 HG3 LYS 21 131.995 -4.832 -2.218
155 HD2 LYS 21 HD2 LYS 21 131.684 -7.148 -2.893
156 HD3 LYS 21 HD3 LYS 21 132.196 -6.799 -4.547
157 HE2 LYS 21 HE2 LYS 21 133.973 -6.440 -2.085
158 HE3 LYS 21 HE3 LYS 21 133.927 -7.909 -3.066
159 HZ1 LYS 21 HZ1 LYS 21 134.724 -5.229 -4.085
160 HZ2 LYS 21 HZ2 LYS 21 135.732 -6.496 -3.800
161 HZ3 LYS 21 HZ3 LYS 21 134.624 -6.591 -4.993
162 H GLY 22 H GLY 22 131.819 -2.309 -2.045
163 HA2 GLY 22 HA2 GLY 22 132.283 0.088 -3.623
164 HA3 GLY 22 HA3 GLY 22 133.109 -0.374 -2.143
165 HA PRO 23 HA PRO 23 135.906 -1.027 -5.924
166 HB2 PRO 23 HB2 PRO 23 137.284 1.310 -6.139
167 HB3 PRO 23 HB3 PRO 23 135.645 1.100 -6.825
168 HG2 PRO 23 HG2 PRO 23 136.401 2.351 -4.165
169 HG3 PRO 23 HG3 PRO 23 135.321 3.018 -5.434
170 HD2 PRO 23 HD2 PRO 23 134.362 1.661 -3.255
171 HD3 PRO 23 HD3 PRO 23 133.582 1.553 -4.861
172 H LYS 24 H LYS 24 138.196 -1.331 -5.956
173 HA LYS 24 HA LYS 24 139.399 -2.211 -3.518
174 HB2 LYS 24 HB2 LYS 24 139.835 -3.114 -5.808
175 HB3 LYS 24 HB3 LYS 24 140.608 -1.590 -6.253
176 HG2 LYS 24 HG2 LYS 24 142.391 -1.977 -4.610
177 HG3 LYS 24 HG3 LYS 24 141.608 -3.470 -4.063
178 HD2 LYS 24 HD2 LYS 24 141.942 -4.498 -6.248
179 HD3 LYS 24 HD3 LYS 24 142.513 -2.958 -6.932
180 HE2 LYS 24 HE2 LYS 24 144.430 -2.973 -5.342
181 HE3 LYS 24 HE3 LYS 24 143.892 -4.542 -4.717
182 HZ1 LYS 24 HZ1 LYS 24 145.607 -4.822 -6.402
183 HZ2 LYS 24 HZ2 LYS 24 144.207 -5.447 -6.978
184 HZ3 LYS 24 HZ3 LYS 24 144.742 -3.994 -7.520
185 H GLY 25 H GLY 25 141.041 -1.443 -2.258
186 HA2 GLY 25 HA2 GLY 25 141.339 1.428 -1.950
187 HA3 GLY 25 HA3 GLY 25 142.160 0.179 -1.023
188 HA PRO 26 HA PRO 26 145.022 2.251 -4.204
189 HB2 PRO 26 HB2 PRO 26 146.335 4.156 -2.757
190 HB3 PRO 26 HB3 PRO 26 144.720 4.431 -3.479
191 HG2 PRO 26 HG2 PRO 26 145.360 3.585 -0.636
192 HG3 PRO 26 HG3 PRO 26 144.306 4.936 -1.170
193 HD2 PRO 26 HD2 PRO 26 143.263 2.507 -0.515
194 HD3 PRO 26 HD3 PRO 26 142.607 3.454 -1.878
195 H LYS 27 H LYS 27 147.283 2.003 -4.435
196 HA LYS 27 HA LYS 27 148.546 -0.205 -3.182
197 HB2 LYS 27 HB2 LYS 27 149.091 0.727 -5.438
198 HB3 LYS 27 HB3 LYS 27 149.778 2.163 -4.671
199 HG2 LYS 27 HG2 LYS 27 151.516 0.792 -3.594
200 HG3 LYS 27 HG3 LYS 27 150.808 -0.685 -4.275
201 HD2 LYS 27 HD2 LYS 27 151.348 0.033 -6.537
202 HD3 LYS 27 HD3 LYS 27 151.827 1.647 -5.961
203 HE2 LYS 27 HE2 LYS 27 153.653 0.659 -4.633
204 HE3 LYS 27 HE3 LYS 27 153.212 -0.965 -5.189
205 HZ1 LYS 27 HZ1 LYS 27 155.079 0.156 -6.420
206 HZ2 LYS 27 HZ2 LYS 27 153.864 -0.368 -7.407
207 HZ3 LYS 27 HZ3 LYS 27 154.014 1.223 -7.037
208 H GLY 28 H GLY 28 149.952 -0.458 -1.506
209 HA2 GLY 28 HA2 GLY 28 149.955 1.440 0.633
210 HA3 GLY 28 HA3 GLY 28 150.914 -0.037 0.552
211 HA PRO 29 HA PRO 29 153.714 3.780 -0.027
212 HB2 PRO 29 HB2 PRO 29 154.592 4.275 2.512
213 HB3 PRO 29 HB3 PRO 29 153.064 4.954 1.877
214 HG2 PRO 29 HG2 PRO 29 153.428 2.464 3.566
215 HG3 PRO 29 HG3 PRO 29 152.289 3.822 3.842
216 HD2 PRO 29 HD2 PRO 29 151.533 1.512 2.594
217 HD3 PRO 29 HD3 PRO 29 150.872 3.102 2.104
218 H LYS 30 H LYS 30 156.099 3.677 0.174
219 HA LYS 30 HA LYS 30 157.075 0.917 0.159
220 HB2 LYS 30 HB2 LYS 30 159.109 1.798 -0.725
221 HB3 LYS 30 HB3 LYS 30 157.735 2.557 -1.525
222 HG2 LYS 30 HG2 LYS 30 158.047 4.593 -0.086
223 HG3 LYS 30 HG3 LYS 30 159.414 3.805 0.707
224 HD2 LYS 30 HD2 LYS 30 160.227 5.365 -0.945
225 HD3 LYS 30 HD3 LYS 30 160.634 3.716 -1.446
226 HE2 LYS 30 HE2 LYS 30 158.765 3.701 -3.049
227 HE3 LYS 30 HE3 LYS 30 158.217 5.282 -2.471
228 HZ1 LYS 30 HZ1 LYS 30 160.832 4.784 -3.803
229 HZ2 LYS 30 HZ2 LYS 30 159.530 5.464 -4.517
230 HZ3 LYS 30 HZ3 LYS 30 160.288 6.243 -3.301
231 H GLY 31 H GLY 31 156.594 2.823 2.774
232 HA2 GLY 31 HA2 GLY 31 157.761 1.149 4.643
233 HA3 GLY 31 HA3 GLY 31 159.025 2.337 4.308
234 HN1 NH2 32 HN1 NH2 32 157.252 4.670 3.963
235 HN2 NH2 32 HN2 NH2 32 156.584 5.011 5.545
236 H1 ACE 33 H1 ACE 33 77.390 4.752 -7.499
237 H2 ACE 33 H2 ACE 33 79.122 4.815 -7.108
238 H3 ACE 33 H3 ACE 33 78.526 3.614 -8.270
239 H ASP 34 H ASP 34 78.956 4.406 -4.940
240 HA ASP 34 HA ASP 34 77.561 2.012 -3.904
241 HB2 ASP 34 HB2 ASP 34 80.569 2.473 -3.855
242 HB3 ASP 34 HB3 ASP 34 79.783 1.484 -2.639
243 HA HYP 35 HA HYP 35 76.581 4.330 -0.324
244 HB2 HYP 35 HB2 HYP 35 78.064 2.209 1.261
245 HB3 HYP 35 HB3 HYP 35 76.512 2.993 1.672
246 HG HYP 35 HG HYP 35 76.561 0.569 0.486
247 HD22 HYP 35 HD22 HYP 35 78.064 0.922 -1.257
248 HD23 HYP 35 HD23 HYP 35 76.568 1.364 -2.124
249 HD1 HYP 35 HD1 HYP 35 74.905 2.750 0.192
250 H GLY 36 H GLY 36 80.060 3.624 -0.532
251 HA2 GLY 36 HA2 GLY 36 80.676 6.188 0.796
252 HA3 GLY 36 HA3 GLY 36 81.278 4.738 1.598
253 H ASP 37 H ASP 37 82.959 6.698 0.818
254 HA ASP 37 HA ASP 37 83.971 6.537 -1.841
255 HB2 ASP 37 HB2 ASP 37 84.851 7.854 0.746
256 HB3 ASP 37 HB3 ASP 37 85.863 7.945 -0.685
257 HA HYP 38 HA HYP 38 87.161 3.414 -1.702
258 HB2 HYP 38 HB2 HYP 38 89.278 4.775 -3.047
259 HB3 HYP 38 HB3 HYP 38 87.989 3.796 -3.776
260 HG HYP 38 HG HYP 38 88.216 6.755 -3.592
261 HD22 HYP 38 HD22 HYP 38 86.152 7.198 -2.805
262 HD23 HYP 38 HD23 HYP 38 85.411 5.784 -3.603
263 HD1 HYP 38 HD1 HYP 38 88.210 5.832 -5.622
264 H GLY 39 H GLY 39 89.269 2.912 -0.765
265 HA2 GLY 39 HA2 GLY 39 90.100 4.664 1.434
266 HA3 GLY 39 HA3 GLY 39 90.717 3.065 1.066
267 H ASP 40 H ASP 40 92.234 5.270 1.887
268 HA ASP 40 HA ASP 40 93.607 6.542 -0.271
269 HB2 ASP 40 HB2 ASP 40 94.130 6.328 2.719
270 HB3 ASP 40 HB3 ASP 40 95.004 7.396 1.627
271 HA HYP 41 HA HYP 41 97.113 3.798 -1.049
272 HB2 HYP 41 HB2 HYP 41 98.781 6.294 -0.957
273 HB3 HYP 41 HB3 HYP 41 98.734 5.023 -2.206
274 HG HYP 41 HG HYP 41 97.528 7.477 -2.511
275 HD22 HYP 41 HD22 HYP 41 96.063 7.527 -0.711
276 HD23 HYP 41 HD23 HYP 41 95.009 6.648 -1.855
277 HD1 HYP 41 HD1 HYP 41 97.373 5.989 -4.161
278 H GLY 42 H GLY 42 98.906 2.859 -0.015
279 HA2 GLY 42 HA2 GLY 42 99.294 3.426 2.839
280 HA3 GLY 42 HA3 GLY 42 99.986 2.108 1.911
281 H ASP 43 H ASP 43 101.542 3.234 3.768
282 HA ASP 43 HA ASP 43 103.134 5.463 2.954
283 HB2 ASP 43 HB2 ASP 43 103.388 3.287 5.063
284 HB3 ASP 43 HB3 ASP 43 104.599 4.541 4.862
285 HA HYP 44 HA HYP 44 106.147 3.482 0.306
286 HB2 HYP 44 HB2 HYP 44 108.465 4.973 1.043
287 HB3 HYP 44 HB3 HYP 44 107.300 5.346 -0.243
288 HG HYP 44 HG HYP 44 107.619 6.597 2.406
289 HD22 HYP 44 HD22 HYP 44 105.628 6.119 3.332
290 HD23 HYP 44 HD23 HYP 44 104.754 6.517 1.827
291 HD1 HYP 44 HD1 HYP 44 106.679 8.302 1.326
292 H GLY 45 H GLY 45 107.860 1.922 0.384
293 HA2 GLY 45 HA2 GLY 45 108.566 0.746 2.953
294 HA3 GLY 45 HA3 GLY 45 109.254 0.326 1.392
295 H ASP 46 H ASP 46 110.758 0.463 3.750
296 HA ASP 46 HA ASP 46 112.271 2.946 3.831
297 HB2 ASP 46 HB2 ASP 46 112.412 0.257 5.217
298 HB3 ASP 46 HB3 ASP 46 113.740 1.390 5.333
299 HA HYP 47 HA HYP 47 115.443 2.053 0.828
300 HB2 HYP 47 HB2 HYP 47 117.471 2.889 2.875
301 HB3 HYP 47 HB3 HYP 47 117.243 3.491 1.212
302 HG HYP 47 HG HYP 47 116.465 4.919 3.424
303 HD22 HYP 47 HD22 HYP 47 115.060 3.361 4.458
304 HD23 HYP 47 HD23 HYP 47 113.861 4.194 3.430
305 HD1 HYP 47 HD1 HYP 47 116.055 5.733 1.366
306 H GLY 48 H GLY 48 117.144 0.583 0.299
307 HA2 GLY 48 HA2 GLY 48 117.372 -1.832 1.884
308 HA3 GLY 48 HA3 GLY 48 118.294 -1.430 0.442
309 H ASP 49 H ASP 49 119.432 -2.817 2.542
310 HA ASP 49 HA ASP 49 121.072 -1.146 4.239
311 HB2 ASP 49 HB2 ASP 49 121.041 -4.065 3.408
312 HB3 ASP 49 HB3 ASP 49 122.390 -3.409 4.317
313 HA HYP 50 HA HYP 50 124.206 0.103 1.442
314 HB2 HYP 50 HB2 HYP 50 126.590 -0.308 2.961
315 HB3 HYP 50 HB3 HYP 50 125.553 1.137 2.922
316 HG HYP 50 HG HYP 50 125.648 -1.065 4.934
317 HD22 HYP 50 HD22 HYP 50 123.413 -1.429 5.107
318 HD23 HYP 50 HD23 HYP 50 122.987 0.247 4.652
319 HD1 HYP 50 HD1 HYP 50 126.245 0.999 5.574
320 H GLY 51 H GLY 51 125.877 -0.612 0.029
321 HA2 GLY 51 HA2 GLY 51 126.262 -3.443 -0.439
322 HA3 GLY 51 HA3 GLY 51 127.151 -2.127 -1.171
323 H ASP 52 H ASP 52 128.281 -4.575 -0.475
324 HA ASP 52 HA ASP 52 129.584 -4.586 2.033
325 HB2 ASP 52 HB2 ASP 52 130.042 -6.022 -0.602
326 HB3 ASP 52 HB3 ASP 52 131.005 -6.341 0.836
327 HA HYP 53 HA HYP 53 133.118 -1.883 1.478
328 HB2 HYP 53 HB2 HYP 53 134.717 -4.019 2.860
329 HB3 HYP 53 HB3 HYP 53 134.618 -2.275 3.228
330 HG HYP 53 HG HYP 53 133.322 -4.146 4.735
331 HD22 HYP 53 HD22 HYP 53 132.124 -5.273 3.050
332 HD23 HYP 53 HD23 HYP 53 130.910 -4.048 3.516
333 HD1 HYP 53 HD1 HYP 53 131.758 -2.543 5.187
334 H GLY 54 H GLY 54 134.877 -1.581 0.123
335 HA2 GLY 54 HA2 GLY 54 135.411 -3.475 -1.984
336 HA3 GLY 54 HA3 GLY 54 136.263 -1.967 -1.676
337 H ASP 55 H ASP 55 137.608 -4.172 -2.631
338 HA ASP 55 HA ASP 55 138.840 -5.786 -0.620
339 HB2 ASP 55 HB2 ASP 55 139.430 -5.147 -3.529
340 HB3 ASP 55 HB3 ASP 55 140.457 -6.205 -2.575
341 HA HYP 56 HA HYP 56 142.140 -3.058 0.845
342 HB2 HYP 56 HB2 HYP 56 143.822 -5.546 0.782
343 HB3 HYP 56 HB3 HYP 56 143.622 -4.363 2.102
344 HG HYP 56 HG HYP 56 142.405 -6.818 2.123
345 HD22 HYP 56 HD22 HYP 56 141.224 -6.757 0.103
346 HD23 HYP 56 HD23 HYP 56 139.986 -6.010 1.155
347 HD1 HYP 56 HD1 HYP 56 141.413 -5.906 3.752
348 H GLY 57 H GLY 57 143.891 -1.948 -0.026
349 HA2 GLY 57 HA2 GLY 57 144.701 -2.344 -2.781
350 HA3 GLY 57 HA3 GLY 57 145.458 -1.271 -1.610
351 H ASP 58 H ASP 58 146.965 -2.709 -3.479
352 HA ASP 58 HA ASP 58 148.065 -5.095 -2.250
353 HB2 ASP 58 HB2 ASP 58 148.655 -3.448 -4.717
354 HB3 ASP 58 HB3 ASP 58 149.782 -4.670 -4.172
355 HA HYP 59 HA HYP 59 151.316 -3.374 0.262
356 HB2 HYP 59 HB2 HYP 59 153.184 -5.324 -1.044
357 HB3 HYP 59 HB3 HYP 59 152.870 -5.054 0.692
358 HG HYP 59 HG HYP 59 151.875 -7.210 -0.712
359 HD22 HYP 59 HD22 HYP 59 150.601 -6.175 -2.351
360 HD23 HYP 59 HD23 HYP 59 149.374 -6.169 -1.054
361 HD1 HYP 59 HD1 HYP 59 151.429 -6.977 1.483
362 H GLY 60 H GLY 60 153.189 -2.040 0.191
363 HA2 GLY 60 HA2 GLY 60 153.700 -0.621 -2.279
364 HA3 GLY 60 HA3 GLY 60 154.503 -0.376 -0.739
365 H ASP 61 H ASP 61 156.085 0.012 -2.752
366 HA ASP 61 HA ASP 61 157.630 -2.240 -3.681
367 HB2 ASP 61 HB2 ASP 61 158.023 0.765 -3.513
368 HB3 ASP 61 HB3 ASP 61 159.353 -0.282 -3.971
369 HA HYP 62 HA HYP 62 160.247 -3.341 -0.248
370 HB2 HYP 62 HB2 HYP 62 162.561 -2.729 -2.102
371 HB3 HYP 62 HB3 HYP 62 162.357 -4.122 -1.008
372 HG HYP 62 HG HYP 62 161.841 -4.335 -3.662
373 HD22 HYP 62 HD22 HYP 62 160.410 -2.517 -4.011
374 HD23 HYP 62 HD23 HYP 62 159.173 -3.739 -3.602
375 HD1 HYP 62 HD1 HYP 62 160.157 -5.824 -3.130
376 H GLY 63 H GLY 63 161.242 -2.397 1.494
377 HA2 GLY 63 HA2 GLY 63 163.084 -0.534 1.860
378 HA3 GLY 63 HA3 GLY 63 161.734 0.528 1.449
379 HN1 NH2 64 HN1 NH2 64 160.094 -1.841 3.051
380 HN2 NH2 64 HN2 NH2 64 160.281 -1.262 4.693
381 H1 ACE 65 H1 ACE 65 75.436 -1.014 3.948
382 H2 ACE 65 H2 ACE 65 75.160 -0.752 2.211
383 H3 ACE 65 H3 ACE 65 74.912 -2.366 2.923
384 HA PRO 66 HA PRO 66 78.932 -3.574 1.609
385 HB2 PRO 66 HB2 PRO 66 78.701 -2.156 -1.046
386 HB3 PRO 66 HB3 PRO 66 79.269 -3.818 -0.696
387 HG2 PRO 66 HG2 PRO 66 76.750 -3.399 -1.600
388 HG3 PRO 66 HG3 PRO 66 77.041 -4.567 -0.270
389 HD2 PRO 66 HD2 PRO 66 76.032 -1.724 -0.088
390 HD3 PRO 66 HD3 PRO 66 75.478 -3.183 0.786
391 HA HYP 67 HA HYP 67 81.643 -0.042 2.634
392 HB2 HYP 67 HB2 HYP 67 83.771 -2.039 1.896
393 HB3 HYP 67 HB3 HYP 67 83.691 -0.961 3.317
394 HG HYP 67 HG HYP 67 83.109 -3.618 3.489
395 HD22 HYP 67 HD22 HYP 67 81.510 -3.812 1.776
396 HD23 HYP 67 HD23 HYP 67 80.415 -3.464 3.145
397 HD1 HYP 67 HD1 HYP 67 81.688 -3.096 5.193
398 H GLY 68 H GLY 68 83.070 1.404 1.547
399 HA2 GLY 68 HA2 GLY 68 83.448 1.264 -1.354
400 HA3 GLY 68 HA3 GLY 68 84.257 2.361 -0.234
401 HA PRO 69 HA PRO 69 86.802 -1.529 -1.411
402 HB2 PRO 69 HB2 PRO 69 88.421 -0.711 -3.473
403 HB3 PRO 69 HB3 PRO 69 86.772 -1.370 -3.698
404 HG2 PRO 69 HG2 PRO 69 87.610 1.538 -3.562
405 HG3 PRO 69 HG3 PRO 69 86.571 0.750 -4.792
406 HD2 PRO 69 HD2 PRO 69 85.494 2.110 -2.695
407 HD3 PRO 69 HD3 PRO 69 84.751 0.592 -3.284
408 HA HYP 70 HA HYP 70 90.335 -0.009 1.061
409 HB2 HYP 70 HB2 HYP 70 91.819 -2.214 -0.331
410 HB3 HYP 70 HB3 HYP 70 91.764 -1.827 1.408
411 HG HYP 70 HG HYP 70 90.368 -3.911 0.289
412 HD22 HYP 70 HD22 HYP 70 89.033 -2.833 -1.289
413 HD23 HYP 70 HD23 HYP 70 87.968 -2.587 0.125
414 HD1 HYP 70 HD1 HYP 70 88.967 -3.738 2.047
415 H GLY 71 H GLY 71 92.282 1.114 0.790
416 HA2 GLY 71 HA2 GLY 71 92.908 2.139 -1.891
417 HA3 GLY 71 HA3 GLY 71 93.693 2.575 -0.381
418 HA PRO 72 HA PRO 72 96.131 -0.591 -2.943
419 HB2 PRO 72 HB2 PRO 72 97.965 0.922 -4.305
420 HB3 PRO 72 HB3 PRO 72 96.303 0.621 -4.895
421 HG2 PRO 72 HG2 PRO 72 97.321 3.032 -3.360
422 HG3 PRO 72 HG3 PRO 72 96.359 3.014 -4.873
423 HD2 PRO 72 HD2 PRO 72 95.183 3.340 -2.435
424 HD3 PRO 72 HD3 PRO 72 94.393 2.388 -3.727
425 HA HYP 73 HA HYP 73 99.647 -0.677 -0.015
426 HB2 HYP 73 HB2 HYP 73 101.162 -1.794 -2.356
427 HB3 HYP 73 HB3 HYP 73 101.072 -2.409 -0.684
428 HG HYP 73 HG HYP 73 99.713 -3.557 -2.769
429 HD22 HYP 73 HD22 HYP 73 98.445 -1.761 -3.559
430 HD23 HYP 73 HD23 HYP 73 97.313 -2.331 -2.298
431 HD1 HYP 73 HD1 HYP 73 98.293 -4.363 -1.237
432 H GLY 74 H GLY 74 101.575 0.485 0.371
433 HA2 GLY 74 HA2 GLY 74 102.223 2.747 -1.357
434 HA3 GLY 74 HA3 GLY 74 103.097 2.241 0.079
435 HA PRO 75 HA PRO 75 105.263 0.976 -3.959
436 HB2 PRO 75 HB2 PRO 75 107.159 2.931 -4.307
437 HB3 PRO 75 HB3 PRO 75 105.472 3.080 -4.886
438 HG2 PRO 75 HG2 PRO 75 106.647 4.135 -2.291
439 HG3 PRO 75 HG3 PRO 75 105.677 5.031 -3.506
440 HD2 PRO 75 HD2 PRO 75 104.521 3.968 -1.287
441 HD3 PRO 75 HD3 PRO 75 103.687 3.921 -2.870
442 HA HYP 76 HA HYP 76 108.863 -0.905 -1.897
443 HB2 HYP 76 HB2 HYP 76 110.344 -0.274 -4.433
444 HB3 HYP 76 HB3 HYP 76 110.257 -1.816 -3.543
445 HG HYP 76 HG HYP 76 108.859 -1.335 -5.862
446 HD22 HYP 76 HD22 HYP 76 107.597 0.530 -5.291
447 HD23 HYP 76 HD23 HYP 76 106.486 -0.716 -4.654
448 HD1 HYP 76 HD1 HYP 76 108.677 -3.306 -4.770
449 H GLY 77 H GLY 77 110.765 -0.263 -0.842
450 HA2 GLY 77 HA2 GLY 77 111.571 2.548 -0.844
451 HA3 GLY 77 HA3 GLY 77 112.377 1.224 -0.012
452 HA PRO 78 HA PRO 78 114.616 2.427 -4.046
453 HB2 PRO 78 HB2 PRO 78 116.547 4.188 -3.224
454 HB3 PRO 78 HB3 PRO 78 114.880 4.694 -3.632
455 HG2 PRO 78 HG2 PRO 78 116.020 4.081 -0.888
456 HG3 PRO 78 HG3 PRO 78 115.098 5.533 -1.398
457 HD2 PRO 78 HD2 PRO 78 113.882 3.434 -0.155
458 HD3 PRO 78 HD3 PRO 78 113.066 4.332 -1.468
459 HA HYP 79 HA HYP 79 118.106 -0.372 -3.292
460 HB2 HYP 79 HB2 HYP 79 119.749 1.590 -4.862
461 HB3 HYP 79 HB3 HYP 79 119.643 -0.180 -5.046
462 HG HYP 79 HG HYP 79 118.377 1.575 -6.742
463 HD22 HYP 79 HD22 HYP 79 117.063 2.804 -5.262
464 HD23 HYP 79 HD23 HYP 79 115.920 1.460 -5.543
465 HD1 HYP 79 HD1 HYP 79 118.178 -0.683 -6.951
466 H GLY 80 H GLY 80 119.768 -0.541 -1.811
467 HA2 GLY 80 HA2 GLY 80 120.188 1.534 0.098
468 HA3 GLY 80 HA3 GLY 80 121.112 0.041 -0.018
469 HA PRO 81 HA PRO 81 123.680 3.809 -1.282
470 HB2 PRO 81 HB2 PRO 81 125.315 3.634 1.101
471 HB3 PRO 81 HB3 PRO 81 124.319 4.991 0.514
472 HG2 PRO 81 HG2 PRO 81 123.769 3.259 2.746
473 HG3 PRO 81 HG3 PRO 81 122.695 4.488 2.024
474 HD2 PRO 81 HD2 PRO 81 122.559 1.568 1.757
475 HD3 PRO 81 HD3 PRO 81 121.342 2.817 1.384
476 HA HYP 82 HA HYP 82 127.022 1.133 -2.789
477 HB2 HYP 82 HB2 HYP 82 128.786 3.536 -2.429
478 HB3 HYP 82 HB3 HYP 82 128.604 2.480 -3.854
479 HG HYP 82 HG HYP 82 127.495 4.987 -3.685
480 HD22 HYP 82 HD22 HYP 82 126.119 4.801 -1.816
481 HD23 HYP 82 HD23 HYP 82 124.982 4.133 -3.025
482 HD1 HYP 82 HD1 HYP 82 126.076 4.306 -5.265
483 H GLY 83 H GLY 83 128.710 -0.085 -1.919
484 HA2 GLY 83 HA2 GLY 83 129.404 0.147 0.895
485 HA3 GLY 83 HA3 GLY 83 130.148 -0.931 -0.286
486 HA PRO 84 HA PRO 84 132.677 3.034 0.573
487 HB2 PRO 84 HB2 PRO 84 134.344 2.411 2.663
488 HB3 PRO 84 HB3 PRO 84 132.685 3.047 2.878
489 HG2 PRO 84 HG2 PRO 84 133.587 0.148 2.939
490 HG3 PRO 84 HG3 PRO 84 132.563 1.012 4.132
491 HD2 PRO 84 HD2 PRO 84 131.468 -0.520 2.162
492 HD3 PRO 84 HD3 PRO 84 130.702 1.012 2.679
493 HA HYP 85 HA HYP 85 136.299 1.464 -1.687
494 HB2 HYP 85 HB2 HYP 85 137.872 3.454 -0.074
495 HB3 HYP 85 HB3 HYP 85 137.890 3.177 -1.836
496 HG HYP 85 HG HYP 85 136.591 5.305 -0.688
497 HD22 HYP 85 HD22 HYP 85 135.171 4.209 0.812
498 HD23 HYP 85 HD23 HYP 85 134.106 4.206 -0.624
499 HD1 HYP 85 HD1 HYP 85 136.514 4.914 -2.928
500 H GLY 86 H GLY 86 137.965 -0.023 -1.298
501 HA2 GLY 86 HA2 GLY 86 138.278 -1.203 1.323
502 HA3 GLY 86 HA3 GLY 86 139.271 -1.532 -0.090
503 HA PRO 87 HA PRO 87 141.448 1.213 3.135
504 HB2 PRO 87 HB2 PRO 87 143.087 -0.588 4.437
505 HB3 PRO 87 HB3 PRO 87 141.420 -0.189 4.948
506 HG2 PRO 87 HG2 PRO 87 142.349 -2.527 3.259
507 HG3 PRO 87 HG3 PRO 87 141.244 -2.553 4.672
508 HD2 PRO 87 HD2 PRO 87 140.289 -2.556 2.124
509 HD3 PRO 87 HD3 PRO 87 139.468 -1.631 3.416
510 HA HYP 88 HA HYP 88 145.251 1.499 0.618
511 HB2 HYP 88 HB2 HYP 88 146.580 2.148 3.233
512 HB3 HYP 88 HB3 HYP 88 146.687 3.015 1.677
513 HG HYP 88 HG HYP 88 145.176 3.917 3.791
514 HD22 HYP 88 HD22 HYP 88 143.755 2.113 4.160
515 HD23 HYP 88 HD23 HYP 88 142.788 2.942 2.906
516 HD1 HYP 88 HD1 HYP 88 145.116 5.134 1.956
517 H GLY 89 H GLY 89 146.976 0.116 0.140
518 HA2 GLY 89 HA2 GLY 89 147.233 -2.413 1.484
519 HA3 GLY 89 HA3 GLY 89 148.360 -1.757 0.298
520 HA PRO 90 HA PRO 90 150.065 -1.567 4.748
521 HB2 PRO 90 HB2 PRO 90 151.668 -3.798 4.897
522 HB3 PRO 90 HB3 PRO 90 149.930 -3.795 5.327
523 HG2 PRO 90 HG2 PRO 90 151.203 -4.596 2.701
524 HG3 PRO 90 HG3 PRO 90 149.989 -5.506 3.658
525 HD2 PRO 90 HD2 PRO 90 149.264 -3.954 1.543
526 HD3 PRO 90 HD3 PRO 90 148.252 -4.037 3.015
527 HA HYP 91 HA HYP 91 153.967 0.182 3.306
528 HB2 HYP 91 HB2 HYP 91 155.217 -1.028 5.751
529 HB3 HYP 91 HB3 HYP 91 155.343 0.639 5.128
530 HG HYP 91 HG HYP 91 153.736 -0.044 7.252
531 HD22 HYP 91 HD22 HYP 91 152.342 -1.650 6.304
532 HD23 HYP 91 HD23 HYP 91 151.408 -0.200 5.829
533 HD1 HYP 91 HD1 HYP 91 153.846 2.081 6.473
534 H GLY 92 H GLY 92 155.492 -0.581 1.913
535 HA2 GLY 92 HA2 GLY 92 155.262 -3.137 0.932
536 HA3 GLY 92 HA3 GLY 92 156.559 -2.042 0.527
537 HA PRO 93 HA PRO 93 158.200 -5.323 3.675
538 HB2 PRO 93 HB2 PRO 93 157.573 -7.893 3.008
539 HB3 PRO 93 HB3 PRO 93 156.559 -6.875 4.075
540 HG2 PRO 93 HG2 PRO 93 156.187 -7.414 1.116
541 HG3 PRO 93 HG3 PRO 93 154.958 -7.459 2.418
542 HD2 PRO 93 HD2 PRO 93 155.331 -5.289 0.786
543 HD3 PRO 93 HD3 PRO 93 154.811 -5.128 2.491
544 HA HYP 94 HA HYP 94 161.441 -5.549 0.497
545 HB2 HYP 94 HB2 HYP 94 162.796 -7.098 2.713
546 HB3 HYP 94 HB3 HYP 94 163.488 -5.861 1.622
547 HG HYP 94 HG HYP 94 162.734 -5.227 4.156
548 HD22 HYP 94 HD22 HYP 94 160.555 -6.101 4.199
549 HD23 HYP 94 HD23 HYP 94 160.187 -4.439 3.652
550 HD1 HYP 94 HD1 HYP 94 163.351 -3.599 2.750
551 H GLY 95 H GLY 95 161.357 -6.894 -1.180
552 HA2 GLY 95 HA2 GLY 95 161.876 -8.943 -2.287
553 HA3 GLY 95 HA3 GLY 95 161.497 -9.854 -0.827
554 HN1 NH2 96 HN1 NH2 96 158.902 -7.857 -0.850
555 HN2 NH2 96 HN2 NH2 96 157.834 -8.765 -1.906
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 79.526 7.827 6.252
2 H2 ACE 1 H2 ACE 1 77.770 7.710 6.496
3 H3 ACE 1 H3 ACE 1 78.862 6.559 7.306
4 HA PRO 2 HA PRO 2 78.157 3.635 4.078
5 HB2 PRO 2 HB2 PRO 2 75.189 4.187 3.951
6 HB3 PRO 2 HB3 PRO 2 76.040 2.615 4.073
7 HG2 PRO 2 HG2 PRO 2 74.905 3.722 6.267
8 HG3 PRO 2 HG3 PRO 2 76.537 2.983 6.382
9 HD2 PRO 2 HD2 PRO 2 75.814 5.909 6.123
10 HD3 PRO 2 HD3 PRO 2 77.013 5.129 7.198
11 H LYS 3 H LYS 3 76.713 6.753 3.431
12 HA LYS 3 HA LYS 3 76.382 6.481 0.553
13 HB2 LYS 3 HB2 LYS 3 76.527 8.976 2.299
14 HB3 LYS 3 HB3 LYS 3 75.890 8.891 0.661
15 HG2 LYS 3 HG2 LYS 3 74.663 7.581 3.127
16 HG3 LYS 3 HG3 LYS 3 74.099 9.027 2.297
17 HD2 LYS 3 HD2 LYS 3 73.672 7.666 0.240
18 HD3 LYS 3 HD3 LYS 3 74.139 6.203 1.140
19 HE2 LYS 3 HE2 LYS 3 72.344 6.617 2.786
20 HE3 LYS 3 HE3 LYS 3 71.900 8.113 1.954
21 HZ1 LYS 3 HZ1 LYS 3 71.714 5.393 0.763
22 HZ2 LYS 3 HZ2 LYS 3 70.453 6.279 1.301
23 HZ3 LYS 3 HZ3 LYS 3 71.302 6.782 0.002
24 H GLY 4 H GLY 4 79.272 6.508 2.179
25 HA2 GLY 4 HA2 GLY 4 80.901 7.091 -0.068
26 HA3 GLY 4 HA3 GLY 4 80.762 8.532 0.945
27 HA PRO 5 HA PRO 5 82.938 5.719 4.065
28 HB2 PRO 5 HB2 PRO 5 83.237 3.018 3.768
29 HB3 PRO 5 HB3 PRO 5 81.737 3.776 4.382
30 HG2 PRO 5 HG2 PRO 5 82.330 2.881 1.539
31 HG3 PRO 5 HG3 PRO 5 80.888 2.510 2.536
32 HD2 PRO 5 HD2 PRO 5 80.861 4.547 0.739
33 HD3 PRO 5 HD3 PRO 5 80.060 4.691 2.328
34 H LYS 6 H LYS 6 85.016 6.425 3.885
35 HA LYS 6 HA LYS 6 86.793 5.676 1.697
36 HB2 LYS 6 HB2 LYS 6 86.821 7.894 2.927
37 HB3 LYS 6 HB3 LYS 6 87.479 7.045 4.332
38 HG2 LYS 6 HG2 LYS 6 89.451 6.370 2.981
39 HG3 LYS 6 HG3 LYS 6 88.777 7.193 1.565
40 HD2 LYS 6 HD2 LYS 6 88.965 9.355 2.662
41 HD3 LYS 6 HD3 LYS 6 89.453 8.585 4.192
42 HE2 LYS 6 HE2 LYS 6 91.467 7.668 3.139
43 HE3 LYS 6 HE3 LYS 6 90.999 8.335 1.568
44 HZ1 LYS 6 HZ1 LYS 6 91.546 10.007 3.967
45 HZ2 LYS 6 HZ2 LYS 6 92.660 9.670 2.820
46 HZ3 LYS 6 HZ3 LYS 6 91.318 10.547 2.435
47 H GLY 7 H GLY 7 88.504 4.273 1.674
48 HA2 GLY 7 HA2 GLY 7 88.584 2.107 3.660
49 HA3 GLY 7 HA3 GLY 7 89.522 2.218 2.177
50 HA PRO 8 HA PRO 8 92.160 3.334 5.961
51 HB2 PRO 8 HB2 PRO 8 93.477 1.001 6.505
52 HB3 PRO 8 HB3 PRO 8 91.834 1.354 7.117
53 HG2 PRO 8 HG2 PRO 8 92.587 -0.235 4.640
54 HG3 PRO 8 HG3 PRO 8 91.485 -0.725 5.970
55 HD2 PRO 8 HD2 PRO 8 90.502 0.355 3.681
56 HD3 PRO 8 HD3 PRO 8 89.815 0.787 5.271
57 H LYS 9 H LYS 9 94.436 3.632 6.086
58 HA LYS 9 HA LYS 9 95.872 4.085 3.658
59 HB2 LYS 9 HB2 LYS 9 96.201 5.325 5.803
60 HB3 LYS 9 HB3 LYS 9 96.839 3.858 6.549
61 HG2 LYS 9 HG2 LYS 9 98.757 3.872 5.012
62 HG3 LYS 9 HG3 LYS 9 98.109 5.296 4.176
63 HD2 LYS 9 HD2 LYS 9 98.383 6.646 6.210
64 HD3 LYS 9 HD3 LYS 9 98.862 5.204 7.136
65 HE2 LYS 9 HE2 LYS 9 100.805 4.891 5.599
66 HE3 LYS 9 HE3 LYS 9 100.371 6.388 4.756
67 HZ1 LYS 9 HZ1 LYS 9 101.087 6.222 7.643
68 HZ2 LYS 9 HZ2 LYS 9 102.121 6.669 6.458
69 HZ3 LYS 9 HZ3 LYS 9 100.808 7.604 6.803
70 H GLY 10 H GLY 10 97.506 3.022 2.627
71 HA2 GLY 10 HA2 GLY 10 97.640 0.128 2.844
72 HA3 GLY 10 HA3 GLY 10 98.525 1.141 1.712
73 HA PRO 11 HA PRO 11 101.319 -0.537 5.182
74 HB2 PRO 11 HB2 PRO 11 102.532 -2.681 4.002
75 HB3 PRO 11 HB3 PRO 11 100.911 -2.786 4.755
76 HG2 PRO 11 HG2 PRO 11 101.568 -2.339 1.822
77 HG3 PRO 11 HG3 PRO 11 100.472 -3.574 2.525
78 HD2 PRO 11 HD2 PRO 11 99.494 -1.227 1.574
79 HD3 PRO 11 HD3 PRO 11 98.840 -1.949 3.071
80 H LYS 12 H LYS 12 103.585 -0.331 5.386
81 HA LYS 12 HA LYS 12 104.993 1.472 3.687
82 HB2 LYS 12 HB2 LYS 12 105.435 0.994 6.136
83 HB3 LYS 12 HB3 LYS 12 106.152 -0.548 5.651
84 HG2 LYS 12 HG2 LYS 12 107.786 0.797 4.223
85 HG3 LYS 12 HG3 LYS 12 107.100 2.258 4.911
86 HD2 LYS 12 HD2 LYS 12 109.117 1.797 6.077
87 HD3 LYS 12 HD3 LYS 12 107.800 1.403 7.198
88 HE2 LYS 12 HE2 LYS 12 108.044 -0.998 6.663
89 HE3 LYS 12 HE3 LYS 12 109.254 -0.623 5.424
90 HZ1 LYS 12 HZ1 LYS 12 109.618 -0.044 8.323
91 HZ2 LYS 12 HZ2 LYS 12 110.248 -1.343 7.556
92 HZ3 LYS 12 HZ3 LYS 12 110.754 0.154 7.146
93 H GLY 13 H GLY 13 106.558 1.204 2.128
94 HA2 GLY 13 HA2 GLY 13 106.512 -1.158 0.462
95 HA3 GLY 13 HA3 GLY 13 107.570 0.235 0.274
96 HA PRO 14 HA PRO 14 109.929 -3.552 1.892
97 HB2 PRO 14 HB2 PRO 14 111.100 -4.542 -0.365
98 HB3 PRO 14 HB3 PRO 14 109.417 -4.938 0.099
99 HG2 PRO 14 HG2 PRO 14 110.353 -2.794 -1.834
100 HG3 PRO 14 HG3 PRO 14 109.112 -4.059 -2.114
101 HD2 PRO 14 HD2 PRO 14 108.409 -1.545 -1.342
102 HD3 PRO 14 HD3 PRO 14 107.555 -2.977 -0.706
103 H LYS 15 H LYS 15 112.121 -3.649 2.366
104 HA LYS 15 HA LYS 15 113.754 -1.318 2.206
105 HB2 LYS 15 HB2 LYS 15 113.913 -3.115 3.944
106 HB3 LYS 15 HB3 LYS 15 114.508 -4.235 2.716
107 HG2 LYS 15 HG2 LYS 15 116.537 -2.875 2.408
108 HG3 LYS 15 HG3 LYS 15 115.933 -1.670 3.562
109 HD2 LYS 15 HD2 LYS 15 116.033 -3.294 5.389
110 HD3 LYS 15 HD3 LYS 15 116.353 -4.606 4.253
111 HE2 LYS 15 HE2 LYS 15 118.418 -4.131 5.279
112 HE3 LYS 15 HE3 LYS 15 118.522 -3.537 3.625
113 HZ1 LYS 15 HZ1 LYS 15 117.988 -1.832 6.009
114 HZ2 LYS 15 HZ2 LYS 15 119.447 -2.015 5.291
115 HZ3 LYS 15 HZ3 LYS 15 118.217 -1.270 4.474
116 H GLY 16 H GLY 16 115.431 -0.706 0.914
117 HA2 GLY 16 HA2 GLY 16 115.413 -1.528 -1.834
118 HA3 GLY 16 HA3 GLY 16 116.539 -0.398 -1.095
119 HA PRO 17 HA PRO 17 118.687 -4.500 -2.148
120 HB2 PRO 17 HB2 PRO 17 119.864 -3.977 -4.551
121 HB3 PRO 17 HB3 PRO 17 118.159 -4.501 -4.408
122 HG2 PRO 17 HG2 PRO 17 119.216 -1.673 -4.703
123 HG3 PRO 17 HG3 PRO 17 117.907 -2.466 -5.637
124 HD2 PRO 17 HD2 PRO 17 117.397 -0.853 -3.484
125 HD3 PRO 17 HD3 PRO 17 116.391 -2.286 -3.853
126 H LYS 18 H LYS 18 120.932 -4.934 -1.952
127 HA LYS 18 HA LYS 18 122.483 -3.094 -0.443
128 HB2 LYS 18 HB2 LYS 18 122.606 -5.635 -0.465
129 HB3 LYS 18 HB3 LYS 18 123.477 -5.515 -1.999
130 HG2 LYS 18 HG2 LYS 18 125.185 -4.067 -0.758
131 HG3 LYS 18 HG3 LYS 18 124.328 -4.435 0.729
132 HD2 LYS 18 HD2 LYS 18 126.237 -5.868 0.580
133 HD3 LYS 18 HD3 LYS 18 124.806 -6.883 0.312
134 HE2 LYS 18 HE2 LYS 18 125.190 -6.838 -2.118
135 HE3 LYS 18 HE3 LYS 18 126.511 -5.675 -1.926
136 HZ1 LYS 18 HZ1 LYS 18 126.562 -8.432 -0.806
137 HZ2 LYS 18 HZ2 LYS 18 127.289 -7.989 -2.200
138 HZ3 LYS 18 HZ3 LYS 18 127.813 -7.359 -0.791
139 H GLY 19 H GLY 19 124.299 -1.861 -0.874
140 HA2 GLY 19 HA2 GLY 19 124.599 -0.697 -3.529
141 HA3 GLY 19 HA3 GLY 19 125.533 -0.304 -2.094
142 HA PRO 20 HA PRO 20 128.121 -2.856 -5.128
143 HB2 PRO 20 HB2 PRO 20 129.565 -0.962 -6.442
144 HB3 PRO 20 HB3 PRO 20 127.878 -1.353 -6.891
145 HG2 PRO 20 HG2 PRO 20 128.841 0.908 -5.099
146 HG3 PRO 20 HG3 PRO 20 127.741 1.015 -6.512
147 HD2 PRO 20 HD2 PRO 20 126.778 0.841 -3.965
148 HD3 PRO 20 HD3 PRO 20 125.964 0.024 -5.328
149 H LYS 21 H LYS 21 130.315 -3.427 -4.963
150 HA LYS 21 HA LYS 21 131.680 -3.022 -2.508
151 HB2 LYS 21 HB2 LYS 21 131.907 -5.002 -4.019
152 HB3 LYS 21 HB3 LYS 21 132.717 -3.985 -5.213
153 HG2 LYS 21 HG2 LYS 21 134.595 -3.616 -3.649
154 HG3 LYS 21 HG3 LYS 21 133.782 -4.602 -2.418
155 HD2 LYS 21 HD2 LYS 21 133.979 -6.592 -3.819
156 HD3 LYS 21 HD3 LYS 21 134.497 -5.618 -5.197
157 HE2 LYS 21 HE2 LYS 21 136.451 -6.655 -4.381
158 HE3 LYS 21 HE3 LYS 21 136.560 -4.948 -3.959
159 HZ1 LYS 21 HZ1 LYS 21 135.778 -7.133 -2.091
160 HZ2 LYS 21 HZ2 LYS 21 137.247 -6.409 -2.156
161 HZ3 LYS 21 HZ3 LYS 21 135.934 -5.549 -1.659
162 H GLY 22 H GLY 22 133.475 -1.871 -1.884
163 HA2 GLY 22 HA2 GLY 22 133.884 0.741 -3.094
164 HA3 GLY 22 HA3 GLY 22 134.716 0.099 -1.684
165 HA PRO 23 HA PRO 23 137.563 0.035 -5.513
166 HB2 PRO 23 HB2 PRO 23 138.918 2.399 -5.341
167 HB3 PRO 23 HB3 PRO 23 137.323 2.259 -6.141
168 HG2 PRO 23 HG2 PRO 23 137.903 3.140 -3.296
169 HG3 PRO 23 HG3 PRO 23 136.893 3.974 -4.522
170 HD2 PRO 23 HD2 PRO 23 135.787 2.349 -2.635
171 HD3 PRO 23 HD3 PRO 23 135.158 2.389 -4.306
172 H LYS 24 H LYS 24 139.840 -0.337 -5.482
173 HA LYS 24 HA LYS 24 140.989 -1.349 -3.049
174 HB2 LYS 24 HB2 LYS 24 141.491 -2.041 -5.466
175 HB3 LYS 24 HB3 LYS 24 142.435 -0.553 -5.610
176 HG2 LYS 24 HG2 LYS 24 143.770 -1.388 -3.583
177 HG3 LYS 24 HG3 LYS 24 142.916 -2.907 -3.722
178 HD2 LYS 24 HD2 LYS 24 145.010 -3.211 -4.797
179 HD3 LYS 24 HD3 LYS 24 143.825 -3.072 -6.108
180 HE2 LYS 24 HE2 LYS 24 144.447 -0.668 -6.388
181 HE3 LYS 24 HE3 LYS 24 145.597 -0.806 -5.052
182 HZ1 LYS 24 HZ1 LYS 24 145.785 -2.371 -7.578
183 HZ2 LYS 24 HZ2 LYS 24 146.656 -1.029 -7.255
184 HZ3 LYS 24 HZ3 LYS 24 146.898 -2.374 -6.365
185 H GLY 25 H GLY 25 142.633 -0.552 -1.726
186 HA2 GLY 25 HA2 GLY 25 142.866 2.328 -1.379
187 HA3 GLY 25 HA3 GLY 25 143.747 1.091 -0.496
188 HA PRO 26 HA PRO 26 146.535 3.256 -3.687
189 HB2 PRO 26 HB2 PRO 26 147.834 5.134 -2.194
190 HB3 PRO 26 HB3 PRO 26 146.215 5.424 -2.901
191 HG2 PRO 26 HG2 PRO 26 146.874 4.494 -0.089
192 HG3 PRO 26 HG3 PRO 26 145.815 5.859 -0.573
193 HD2 PRO 26 HD2 PRO 26 144.781 3.412 0.014
194 HD3 PRO 26 HD3 PRO 26 144.115 4.397 -1.318
195 H LYS 27 H LYS 27 148.844 3.066 -3.865
196 HA LYS 27 HA LYS 27 150.053 0.818 -2.621
197 HB2 LYS 27 HB2 LYS 27 150.638 1.841 -4.849
198 HB3 LYS 27 HB3 LYS 27 151.410 3.179 -3.985
199 HG2 LYS 27 HG2 LYS 27 152.893 1.452 -2.866
200 HG3 LYS 27 HG3 LYS 27 152.188 0.222 -3.894
201 HD2 LYS 27 HD2 LYS 27 154.264 0.833 -4.878
202 HD3 LYS 27 HD3 LYS 27 153.019 1.587 -5.895
203 HE2 LYS 27 HE2 LYS 27 153.357 3.742 -4.703
204 HE3 LYS 27 HE3 LYS 27 154.527 2.971 -3.618
205 HZ1 LYS 27 HZ1 LYS 27 154.904 3.184 -6.566
206 HZ2 LYS 27 HZ2 LYS 27 155.572 4.209 -5.481
207 HZ3 LYS 27 HZ3 LYS 27 156.014 2.636 -5.476
208 H GLY 28 H GLY 28 151.500 0.546 -0.969
209 HA2 GLY 28 HA2 GLY 28 151.368 2.291 1.287
210 HA3 GLY 28 HA3 GLY 28 152.416 0.887 1.129
211 HA PRO 29 HA PRO 29 154.985 4.898 0.952
212 HB2 PRO 29 HB2 PRO 29 155.722 5.274 3.552
213 HB3 PRO 29 HB3 PRO 29 154.153 5.847 2.914
214 HG2 PRO 29 HG2 PRO 29 154.714 3.267 4.415
215 HG3 PRO 29 HG3 PRO 29 153.450 4.492 4.763
216 HD2 PRO 29 HD2 PRO 29 152.924 2.245 3.305
217 HD3 PRO 29 HD3 PRO 29 152.154 3.814 2.920
218 H LYS 30 H LYS 30 157.343 5.041 1.278
219 HA LYS 30 HA LYS 30 158.765 2.540 0.983
220 HB2 LYS 30 HB2 LYS 30 159.673 5.414 1.401
221 HB3 LYS 30 HB3 LYS 30 160.806 4.072 1.199
222 HG2 LYS 30 HG2 LYS 30 159.936 3.545 -1.006
223 HG3 LYS 30 HG3 LYS 30 158.632 4.719 -0.828
224 HD2 LYS 30 HD2 LYS 30 160.347 5.662 -2.256
225 HD3 LYS 30 HD3 LYS 30 160.229 6.569 -0.757
226 HE2 LYS 30 HE2 LYS 30 162.532 6.405 -1.282
227 HE3 LYS 30 HE3 LYS 30 162.262 5.366 0.115
228 HZ1 LYS 30 HZ1 LYS 30 163.670 4.369 -1.664
229 HZ2 LYS 30 HZ2 LYS 30 162.382 3.431 -1.341
230 HZ3 LYS 30 HZ3 LYS 30 162.409 4.375 -2.696
231 H GLY 31 H GLY 31 157.946 4.300 3.855
232 HA2 GLY 31 HA2 GLY 31 158.518 2.332 5.693
233 HA3 GLY 31 HA3 GLY 31 160.060 3.180 5.546
234 HN1 NH2 32 HN1 NH2 32 158.602 5.875 5.156
235 HN2 NH2 32 HN2 NH2 32 158.058 6.273 6.771
236 H1 ACE 33 H1 ACE 33 78.667 0.225 -8.937
237 H2 ACE 33 H2 ACE 33 80.373 0.427 -8.486
238 H3 ACE 33 H3 ACE 33 79.629 -1.182 -8.417
239 H ASP 34 H ASP 34 80.470 1.497 -6.594
240 HA ASP 34 HA ASP 34 78.363 1.295 -4.584
241 HB2 ASP 34 HB2 ASP 34 79.643 0.408 -2.819
242 HB3 ASP 34 HB3 ASP 34 79.970 -0.654 -4.170
243 HA HYP 35 HA HYP 35 79.335 5.433 -3.897
244 HB2 HYP 35 HB2 HYP 35 79.070 5.263 -0.935
245 HB3 HYP 35 HB3 HYP 35 78.072 6.163 -2.112
246 HG HYP 35 HG HYP 35 77.210 3.882 -0.849
247 HD22 HYP 35 HD22 HYP 35 78.947 2.441 -1.498
248 HD23 HYP 35 HD23 HYP 35 77.760 2.115 -2.785
249 HD1 HYP 35 HD1 HYP 35 76.778 4.371 -3.636
250 H GLY 36 H GLY 36 81.418 3.417 -1.833
251 HA2 GLY 36 HA2 GLY 36 82.789 5.620 -0.627
252 HA3 GLY 36 HA3 GLY 36 83.168 3.938 -0.409
253 H ASP 37 H ASP 37 84.929 6.115 -0.512
254 HA ASP 37 HA ASP 37 86.470 6.090 -2.975
255 HB2 ASP 37 HB2 ASP 37 86.618 7.588 -0.344
256 HB3 ASP 37 HB3 ASP 37 87.871 7.695 -1.563
257 HA HYP 38 HA HYP 38 89.788 3.255 -1.610
258 HB2 HYP 38 HB2 HYP 38 91.552 5.273 -2.969
259 HB3 HYP 38 HB3 HYP 38 91.543 3.497 -3.141
260 HG HYP 38 HG HYP 38 90.485 5.161 -5.034
261 HD22 HYP 38 HD22 HYP 38 88.967 6.396 -3.740
262 HD23 HYP 38 HD23 HYP 38 87.889 5.050 -4.209
263 HD1 HYP 38 HD1 HYP 38 89.139 3.446 -5.620
264 H GLY 39 H GLY 39 91.509 3.201 -0.119
265 HA2 GLY 39 HA2 GLY 39 91.918 5.472 1.701
266 HA3 GLY 39 HA3 GLY 39 92.647 3.877 1.803
267 H ASP 40 H ASP 40 94.223 5.974 2.407
268 HA ASP 40 HA ASP 40 95.645 7.098 0.162
269 HB2 ASP 40 HB2 ASP 40 95.950 7.128 3.179
270 HB3 ASP 40 HB3 ASP 40 97.200 7.796 2.145
271 HA HYP 41 HA HYP 41 98.823 4.052 -0.426
272 HB2 HYP 41 HB2 HYP 41 101.031 5.784 -0.971
273 HB3 HYP 41 HB3 HYP 41 99.913 5.023 -2.124
274 HG HYP 41 HG HYP 41 99.980 7.817 -1.113
275 HD22 HYP 41 HD22 HYP 41 97.895 7.969 -0.258
276 HD23 HYP 41 HD23 HYP 41 97.192 6.958 -1.553
277 HD1 HYP 41 HD1 HYP 41 100.075 7.413 -3.327
278 H GLY 42 H GLY 42 100.668 3.106 0.512
279 HA2 GLY 42 HA2 GLY 42 101.331 3.832 3.255
280 HA3 GLY 42 HA3 GLY 42 102.004 2.515 2.317
281 H ASP 43 H ASP 43 103.621 3.892 4.012
282 HA ASP 43 HA ASP 43 105.050 6.053 2.731
283 HB2 ASP 43 HB2 ASP 43 105.359 4.423 5.262
284 HB3 ASP 43 HB3 ASP 43 106.646 5.498 4.734
285 HA HYP 44 HA HYP 44 108.115 3.878 0.350
286 HB2 HYP 44 HB2 HYP 44 110.203 5.643 1.596
287 HB3 HYP 44 HB3 HYP 44 109.886 5.325 -0.131
288 HG HYP 44 HG HYP 44 109.134 7.652 1.087
289 HD22 HYP 44 HD22 HYP 44 107.869 6.803 2.875
290 HD23 HYP 44 HD23 HYP 44 106.570 6.979 1.662
291 HD1 HYP 44 HD1 HYP 44 107.490 7.804 -0.457
292 H GLY 45 H GLY 45 109.629 2.229 0.488
293 HA2 GLY 45 HA2 GLY 45 110.286 0.941 2.970
294 HA3 GLY 45 HA3 GLY 45 110.993 0.618 1.401
295 H ASP 46 H ASP 46 112.369 0.495 3.836
296 HA ASP 46 HA ASP 46 113.974 2.820 4.325
297 HB2 ASP 46 HB2 ASP 46 114.153 -0.123 5.071
298 HB3 ASP 46 HB3 ASP 46 115.358 1.053 5.569
299 HA HYP 47 HA HYP 47 117.145 2.454 1.174
300 HB2 HYP 47 HB2 HYP 47 119.141 2.884 3.377
301 HB3 HYP 47 HB3 HYP 47 119.000 3.728 1.811
302 HG HYP 47 HG HYP 47 118.165 4.850 4.174
303 HD22 HYP 47 HD22 HYP 47 116.662 3.234 4.944
304 HD23 HYP 47 HD23 HYP 47 115.532 4.197 3.951
305 HD1 HYP 47 HD1 HYP 47 117.871 5.936 2.217
306 H GLY 48 H GLY 48 118.642 0.997 0.327
307 HA2 GLY 48 HA2 GLY 48 118.962 -1.622 1.490
308 HA3 GLY 48 HA3 GLY 48 119.850 -0.962 0.115
309 H ASP 49 H ASP 49 121.052 -2.664 1.985
310 HA ASP 49 HA ASP 49 122.563 -1.137 3.947
311 HB2 ASP 49 HB2 ASP 49 122.625 -3.997 2.908
312 HB3 ASP 49 HB3 ASP 49 123.693 -3.404 4.161
313 HA HYP 50 HA HYP 50 125.883 0.163 1.440
314 HB2 HYP 50 HB2 HYP 50 128.157 -0.410 3.066
315 HB3 HYP 50 HB3 HYP 50 127.177 1.076 3.034
316 HG HYP 50 HG HYP 50 127.095 -1.218 4.941
317 HD22 HYP 50 HD22 HYP 50 124.835 -1.545 4.949
318 HD23 HYP 50 HD23 HYP 50 124.473 0.161 4.556
319 HD1 HYP 50 HD1 HYP 50 126.710 0.420 6.363
320 H GLY 51 H GLY 51 127.557 -0.486 0.042
321 HA2 GLY 51 HA2 GLY 51 127.868 -3.278 -0.632
322 HA3 GLY 51 HA3 GLY 51 128.826 -1.946 -1.227
323 H ASP 52 H ASP 52 129.931 -4.405 -0.812
324 HA ASP 52 HA ASP 52 131.152 -4.751 1.733
325 HB2 ASP 52 HB2 ASP 52 131.672 -5.857 -1.047
326 HB3 ASP 52 HB3 ASP 52 132.593 -6.348 0.367
327 HA HYP 53 HA HYP 53 134.575 -1.895 1.529
328 HB2 HYP 53 HB2 HYP 53 136.258 -4.062 2.744
329 HB3 HYP 53 HB3 HYP 53 136.050 -2.368 3.270
330 HG HYP 53 HG HYP 53 134.829 -4.449 4.557
331 HD22 HYP 53 HD22 HYP 53 133.698 -5.458 2.760
332 HD23 HYP 53 HD23 HYP 53 132.430 -4.317 3.295
333 HD1 HYP 53 HD1 HYP 53 133.175 -2.977 5.128
334 H GLY 54 H GLY 54 136.394 -1.369 0.350
335 HA2 GLY 54 HA2 GLY 54 137.264 -3.113 -1.844
336 HA3 GLY 54 HA3 GLY 54 137.884 -1.516 -1.455
337 H ASP 55 H ASP 55 139.491 -3.690 -2.183
338 HA ASP 55 HA ASP 55 140.604 -4.977 0.161
339 HB2 ASP 55 HB2 ASP 55 141.145 -5.042 -2.818
340 HB3 ASP 55 HB3 ASP 55 142.185 -5.868 -1.676
341 HA HYP 56 HA HYP 56 143.972 -2.293 1.216
342 HB2 HYP 56 HB2 HYP 56 145.820 -4.654 1.062
343 HB3 HYP 56 HB3 HYP 56 145.593 -3.493 2.397
344 HG HYP 56 HG HYP 56 144.569 -6.033 2.449
345 HD22 HYP 56 HD22 HYP 56 143.281 -6.044 0.500
346 HD23 HYP 56 HD23 HYP 56 142.048 -5.404 1.621
347 HD1 HYP 56 HD1 HYP 56 143.038 -5.257 3.895
348 H GLY 57 H GLY 57 145.657 -1.117 0.311
349 HA2 GLY 57 HA2 GLY 57 146.344 -1.342 -2.482
350 HA3 GLY 57 HA3 GLY 57 147.131 -0.345 -1.289
351 H ASP 58 H ASP 58 148.495 -1.541 -3.370
352 HA ASP 58 HA ASP 58 149.817 -3.975 -2.614
353 HB2 ASP 58 HB2 ASP 58 150.368 -1.771 -4.635
354 HB3 ASP 58 HB3 ASP 58 151.379 -3.196 -4.465
355 HA HYP 59 HA HYP 59 152.840 -2.471 0.278
356 HB2 HYP 59 HB2 HYP 59 154.916 -4.040 -1.217
357 HB3 HYP 59 HB3 HYP 59 154.540 -4.045 0.527
358 HG HYP 59 HG HYP 59 153.752 -6.047 -1.183
359 HD22 HYP 59 HD22 HYP 59 152.453 -4.890 -2.736
360 HD23 HYP 59 HD23 HYP 59 151.180 -5.137 -1.506
361 HD1 HYP 59 HD1 HYP 59 152.110 -6.476 0.310
362 H GLY 60 H GLY 60 154.473 -0.941 0.553
363 HA2 GLY 60 HA2 GLY 60 155.284 0.846 -1.541
364 HA3 GLY 60 HA3 GLY 60 155.987 0.732 0.048
365 H ASP 61 H ASP 61 157.380 1.330 -2.302
366 HA ASP 61 HA ASP 61 159.040 -0.889 -3.141
367 HB2 ASP 61 HB2 ASP 61 159.289 2.150 -3.267
368 HB3 ASP 61 HB3 ASP 61 160.428 1.038 -3.999
369 HA HYP 62 HA HYP 62 161.853 -1.303 0.195
370 HB2 HYP 62 HB2 HYP 62 164.133 -0.622 -1.664
371 HB3 HYP 62 HB3 HYP 62 163.998 -1.969 -0.495
372 HG HYP 62 HG HYP 62 163.567 -2.363 -3.145
373 HD22 HYP 62 HD22 HYP 62 162.001 -0.681 -3.601
374 HD23 HYP 62 HD23 HYP 62 160.866 -1.992 -3.175
375 HD1 HYP 62 HD1 HYP 62 162.145 -4.023 -2.573
376 H GLY 63 H GLY 63 162.850 -0.216 1.832
377 HA2 GLY 63 HA2 GLY 63 163.038 2.724 1.749
378 HA3 GLY 63 HA3 GLY 63 163.133 1.671 3.154
379 HN1 NH2 64 HN1 NH2 64 164.936 3.090 3.817
380 HN2 NH2 64 HN2 NH2 64 166.531 2.795 3.155
381 H1 ACE 65 H1 ACE 65 89.191 -4.023 3.241
382 H2 ACE 65 H2 ACE 65 88.674 -4.524 4.868
383 H3 ACE 65 H3 ACE 65 88.413 -5.602 3.485
384 HA PRO 66 HA PRO 66 84.857 -2.358 4.206
385 HB2 PRO 66 HB2 PRO 66 86.220 0.209 3.431
386 HB3 PRO 66 HB3 PRO 66 85.011 -0.081 4.713
387 HG2 PRO 66 HG2 PRO 66 87.620 0.250 5.341
388 HG3 PRO 66 HG3 PRO 66 86.644 -1.007 6.165
389 HD2 PRO 66 HD2 PRO 66 88.555 -1.362 3.837
390 HD3 PRO 66 HD3 PRO 66 88.416 -2.318 5.343
391 HA HYP 67 HA HYP 67 83.516 -2.050 -0.068
392 HB2 HYP 67 HB2 HYP 67 82.206 0.585 0.582
393 HB3 HYP 67 HB3 HYP 67 81.527 -0.830 -0.265
394 HG HYP 67 HG HYP 67 80.941 -0.300 2.352
395 HD22 HYP 67 HD22 HYP 67 83.086 -0.134 3.270
396 HD23 HYP 67 HD23 HYP 67 82.835 -1.888 3.496
397 HD1 HYP 67 HD1 HYP 67 80.198 -2.196 1.348
398 H GLY 68 H GLY 68 84.572 1.165 1.196
399 HA2 GLY 68 HA2 GLY 68 85.984 1.960 -1.238
400 HA3 GLY 68 HA3 GLY 68 86.111 2.687 0.362
401 HA PRO 69 HA PRO 69 88.853 -1.225 -0.207
402 HB2 PRO 69 HB2 PRO 69 90.737 -1.036 -2.206
403 HB3 PRO 69 HB3 PRO 69 89.058 -1.601 -2.461
404 HG2 PRO 69 HG2 PRO 69 90.158 1.198 -2.871
405 HG3 PRO 69 HG3 PRO 69 89.179 0.221 -4.013
406 HD2 PRO 69 HD2 PRO 69 88.015 2.081 -2.416
407 HD3 PRO 69 HD3 PRO 69 87.213 0.513 -2.720
408 HA HYP 70 HA HYP 70 92.467 0.284 2.138
409 HB2 HYP 70 HB2 HYP 70 93.828 -2.120 0.971
410 HB3 HYP 70 HB3 HYP 70 93.793 -1.566 2.666
411 HG HYP 70 HG HYP 70 92.268 -3.665 1.758
412 HD22 HYP 70 HD22 HYP 70 91.056 -2.664 0.036
413 HD23 HYP 70 HD23 HYP 70 89.965 -2.251 1.391
414 HD1 HYP 70 HD1 HYP 70 92.128 -2.960 3.899
415 H GLY 71 H GLY 71 94.244 1.532 1.690
416 HA2 GLY 71 HA2 GLY 71 94.635 2.431 -0.990
417 HA3 GLY 71 HA3 GLY 71 95.595 2.896 0.408
418 HA PRO 72 HA PRO 72 97.895 0.063 -2.651
419 HB2 PRO 72 HB2 PRO 72 99.655 2.161 -3.561
420 HB3 PRO 72 HB3 PRO 72 98.457 1.221 -4.484
421 HG2 PRO 72 HG2 PRO 72 98.279 3.985 -3.636
422 HG3 PRO 72 HG3 PRO 72 97.084 3.026 -4.549
423 HD2 PRO 72 HD2 PRO 72 97.003 3.827 -1.754
424 HD3 PRO 72 HD3 PRO 72 95.753 3.018 -2.735
425 HA HYP 73 HA HYP 73 101.406 -0.287 0.267
426 HB2 HYP 73 HB2 HYP 73 102.804 -1.443 -2.126
427 HB3 HYP 73 HB3 HYP 73 102.722 -2.081 -0.463
428 HG HYP 73 HG HYP 73 101.238 -3.125 -2.523
429 HD22 HYP 73 HD22 HYP 73 100.090 -1.230 -3.269
430 HD23 HYP 73 HD23 HYP 73 98.938 -1.764 -2.009
431 HD1 HYP 73 HD1 HYP 73 101.016 -3.922 -0.420
432 H GLY 74 H GLY 74 103.355 0.819 0.651
433 HA2 GLY 74 HA2 GLY 74 104.006 3.128 -0.974
434 HA3 GLY 74 HA3 GLY 74 104.925 2.523 0.398
435 HA PRO 75 HA PRO 75 106.935 1.478 -3.782
436 HB2 PRO 75 HB2 PRO 75 108.777 3.476 -4.157
437 HB3 PRO 75 HB3 PRO 75 107.063 3.610 -4.653
438 HG2 PRO 75 HG2 PRO 75 108.342 4.619 -2.093
439 HG3 PRO 75 HG3 PRO 75 107.288 5.522 -3.229
440 HD2 PRO 75 HD2 PRO 75 106.289 4.363 -0.974
441 HD3 PRO 75 HD3 PRO 75 105.359 4.372 -2.502
442 HA HYP 76 HA HYP 76 110.585 -0.432 -1.867
443 HB2 HYP 76 HB2 HYP 76 112.040 0.252 -4.398
444 HB3 HYP 76 HB3 HYP 76 111.956 -1.309 -3.543
445 HG HYP 76 HG HYP 76 110.531 -0.788 -5.825
446 HD22 HYP 76 HD22 HYP 76 109.312 1.105 -5.201
447 HD23 HYP 76 HD23 HYP 76 108.180 -0.140 -4.601
448 HD1 HYP 76 HD1 HYP 76 109.055 -2.350 -5.110
449 H GLY 77 H GLY 77 112.448 0.170 -0.765
450 HA2 GLY 77 HA2 GLY 77 113.221 2.974 -0.609
451 HA3 GLY 77 HA3 GLY 77 114.032 1.617 0.164
452 HA PRO 78 HA PRO 78 116.325 3.214 -3.693
453 HB2 PRO 78 HB2 PRO 78 118.306 4.790 -2.620
454 HB3 PRO 78 HB3 PRO 78 116.666 5.392 -3.007
455 HG2 PRO 78 HG2 PRO 78 117.710 4.425 -0.326
456 HG3 PRO 78 HG3 PRO 78 116.833 5.949 -0.683
457 HD2 PRO 78 HD2 PRO 78 115.529 3.762 0.272
458 HD3 PRO 78 HD3 PRO 78 114.781 4.808 -0.970
459 HA HYP 79 HA HYP 79 119.706 0.209 -3.306
460 HB2 HYP 79 HB2 HYP 79 121.391 2.251 -4.726
461 HB3 HYP 79 HB3 HYP 79 121.200 0.514 -5.082
462 HG HYP 79 HG HYP 79 119.971 2.479 -6.558
463 HD22 HYP 79 HD22 HYP 79 118.763 3.612 -4.917
464 HD23 HYP 79 HD23 HYP 79 117.549 2.361 -5.310
465 HD1 HYP 79 HD1 HYP 79 119.645 0.283 -7.007
466 H GLY 80 H GLY 80 121.407 -0.159 -1.895
467 HA2 GLY 80 HA2 GLY 80 121.941 1.716 0.184
468 HA3 GLY 80 HA3 GLY 80 122.818 0.215 -0.092
469 HA PRO 81 HA PRO 81 125.405 4.046 -1.195
470 HB2 PRO 81 HB2 PRO 81 127.042 3.859 1.182
471 HB3 PRO 81 HB3 PRO 81 125.996 5.196 0.641
472 HG2 PRO 81 HG2 PRO 81 125.518 3.386 2.826
473 HG3 PRO 81 HG3 PRO 81 124.418 4.628 2.168
474 HD2 PRO 81 HD2 PRO 81 124.328 1.715 1.799
475 HD3 PRO 81 HD3 PRO 81 123.079 2.950 1.491
476 HA HYP 82 HA HYP 82 128.814 1.395 -2.623
477 HB2 HYP 82 HB2 HYP 82 130.588 3.755 -2.072
478 HB3 HYP 82 HB3 HYP 82 130.479 2.751 -3.543
479 HG HYP 82 HG HYP 82 129.382 5.263 -3.379
480 HD22 HYP 82 HD22 HYP 82 127.977 5.029 -1.527
481 HD23 HYP 82 HD23 HYP 82 126.846 4.488 -2.802
482 HD1 HYP 82 HD1 HYP 82 129.127 4.057 -5.253
483 H GLY 83 H GLY 83 130.453 0.127 -1.707
484 HA2 GLY 83 HA2 GLY 83 130.799 0.086 1.143
485 HA3 GLY 83 HA3 GLY 83 131.767 -0.809 -0.027
486 HA PRO 84 HA PRO 84 134.078 2.936 1.769
487 HB2 PRO 84 HB2 PRO 84 135.632 1.339 3.601
488 HB3 PRO 84 HB3 PRO 84 134.624 2.770 3.933
489 HG2 PRO 84 HG2 PRO 84 134.034 0.051 4.608
490 HG3 PRO 84 HG3 PRO 84 132.910 1.432 4.623
491 HD2 PRO 84 HD2 PRO 84 133.072 -0.742 2.648
492 HD3 PRO 84 HD3 PRO 84 131.744 0.381 3.021
493 HA HYP 85 HA HYP 85 137.579 1.888 -0.954
494 HB2 HYP 85 HB2 HYP 85 138.978 3.989 0.676
495 HB3 HYP 85 HB3 HYP 85 138.909 3.813 -1.096
496 HG HYP 85 HG HYP 85 137.426 5.675 0.278
497 HD22 HYP 85 HD22 HYP 85 136.222 4.333 1.751
498 HD23 HYP 85 HD23 HYP 85 135.120 4.246 0.341
499 HD1 HYP 85 HD1 HYP 85 137.208 5.526 -1.945
500 H GLY 86 H GLY 86 139.427 0.607 -0.754
501 HA2 GLY 86 HA2 GLY 86 139.971 -0.710 1.748
502 HA3 GLY 86 HA3 GLY 86 140.937 -0.830 0.282
503 HA PRO 87 HA PRO 87 143.003 1.906 3.593
504 HB2 PRO 87 HB2 PRO 87 144.698 0.178 4.890
505 HB3 PRO 87 HB3 PRO 87 142.995 0.436 5.376
506 HG2 PRO 87 HG2 PRO 87 144.121 -1.768 3.624
507 HG3 PRO 87 HG3 PRO 87 143.022 -1.931 5.032
508 HD2 PRO 87 HD2 PRO 87 142.075 -1.909 2.476
509 HD3 PRO 87 HD3 PRO 87 141.177 -1.117 3.804
510 HA HYP 88 HA HYP 88 146.772 2.333 1.074
511 HB2 HYP 88 HB2 HYP 88 148.159 2.852 3.683
512 HB3 HYP 88 HB3 HYP 88 148.235 3.790 2.167
513 HG HYP 88 HG HYP 88 146.772 4.606 4.335
514 HD22 HYP 88 HD22 HYP 88 145.380 2.756 4.670
515 HD23 HYP 88 HD23 HYP 88 144.355 3.639 3.502
516 HD1 HYP 88 HD1 HYP 88 145.456 5.731 2.876
517 H GLY 89 H GLY 89 148.483 0.986 0.496
518 HA2 GLY 89 HA2 GLY 89 148.534 -1.659 1.530
519 HA3 GLY 89 HA3 GLY 89 149.744 -0.970 0.445
520 HA PRO 90 HA PRO 90 151.417 -1.683 4.784
521 HB2 PRO 90 HB2 PRO 90 153.080 -3.885 3.919
522 HB3 PRO 90 HB3 PRO 90 151.869 -3.837 5.229
523 HG2 PRO 90 HG2 PRO 90 151.575 -5.190 2.759
524 HG3 PRO 90 HG3 PRO 90 150.263 -4.710 3.852
525 HD2 PRO 90 HD2 PRO 90 151.100 -3.386 1.323
526 HD3 PRO 90 HD3 PRO 90 149.497 -3.488 2.101
527 HA HYP 91 HA HYP 91 155.000 0.764 3.654
528 HB2 HYP 91 HB2 HYP 91 156.402 -0.481 6.000
529 HB3 HYP 91 HB3 HYP 91 156.244 1.244 5.568
530 HG HYP 91 HG HYP 91 154.758 0.058 7.558
531 HD22 HYP 91 HD22 HYP 91 153.653 -1.633 6.398
532 HD23 HYP 91 HD23 HYP 91 152.519 -0.286 6.078
533 HD1 HYP 91 HD1 HYP 91 154.444 2.223 7.114
534 H GLY 92 H GLY 92 156.928 0.502 2.507
535 HA2 GLY 92 HA2 GLY 92 157.416 -2.002 1.310
536 HA3 GLY 92 HA3 GLY 92 158.468 -0.596 1.182
537 HA PRO 93 HA PRO 93 160.412 -4.285 3.626
538 HB2 PRO 93 HB2 PRO 93 162.137 -4.169 1.136
539 HB3 PRO 93 HB3 PRO 93 161.782 -5.577 2.189
540 HG2 PRO 93 HG2 PRO 93 160.431 -5.269 -0.128
541 HG3 PRO 93 HG3 PRO 93 159.538 -5.715 1.363
542 HD2 PRO 93 HD2 PRO 93 159.785 -2.989 0.070
543 HD3 PRO 93 HD3 PRO 93 158.347 -3.803 0.762
544 HA HYP 94 HA HYP 94 163.232 -1.502 5.520
545 HB2 HYP 94 HB2 HYP 94 165.253 -3.746 5.606
546 HB3 HYP 94 HB3 HYP 94 164.762 -2.631 6.912
547 HG HYP 94 HG HYP 94 163.776 -5.165 6.765
548 HD22 HYP 94 HD22 HYP 94 162.991 -5.233 4.564
549 HD23 HYP 94 HD23 HYP 94 161.513 -4.623 5.359
550 HD1 HYP 94 HD1 HYP 94 162.972 -3.682 8.291
551 H GLY 95 H GLY 95 164.704 -3.332 2.839
552 HA2 GLY 95 HA2 GLY 95 165.619 -1.090 1.432
553 HA3 GLY 95 HA3 GLY 95 166.995 -1.662 2.379
554 HN1 NH2 96 HN1 NH2 96 167.551 -1.742 -0.161
555 HN2 NH2 96 HN2 NH2 96 167.356 -3.336 -0.865
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 71.687 9.947 0.891
2 H2 ACE 1 H2 ACE 1 73.441 10.244 0.959
3 H3 ACE 1 H3 ACE 1 72.576 9.675 2.404
4 HA PRO 2 HA PRO 2 72.473 5.835 -0.432
5 HB2 PRO 2 HB2 PRO 2 73.006 5.914 -3.095
6 HB3 PRO 2 HB3 PRO 2 71.517 6.615 -2.412
7 HG2 PRO 2 HG2 PRO 2 74.107 8.084 -3.038
8 HG3 PRO 2 HG3 PRO 2 72.453 8.483 -3.610
9 HD2 PRO 2 HD2 PRO 2 73.533 9.660 -1.400
10 HD3 PRO 2 HD3 PRO 2 71.796 9.242 -1.479
11 H LYS 3 H LYS 3 74.680 6.515 1.060
12 HA LYS 3 HA LYS 3 77.023 5.245 -0.297
13 HB2 LYS 3 HB2 LYS 3 78.502 6.980 0.351
14 HB3 LYS 3 HB3 LYS 3 77.149 7.738 -0.478
15 HG2 LYS 3 HG2 LYS 3 76.149 8.325 1.762
16 HG3 LYS 3 HG3 LYS 3 77.582 7.655 2.548
17 HD2 LYS 3 HD2 LYS 3 77.523 10.022 0.631
18 HD3 LYS 3 HD3 LYS 3 77.702 10.092 2.390
19 HE2 LYS 3 HE2 LYS 3 79.833 8.767 2.193
20 HE3 LYS 3 HE3 LYS 3 79.673 8.826 0.431
21 HZ1 LYS 3 HZ1 LYS 3 79.972 11.195 2.204
22 HZ2 LYS 3 HZ2 LYS 3 81.121 10.593 1.214
23 HZ3 LYS 3 HZ3 LYS 3 79.778 11.269 0.580
24 H GLY 4 H GLY 4 78.895 5.076 1.341
25 HA2 GLY 4 HA2 GLY 4 78.217 4.256 4.067
26 HA3 GLY 4 HA3 GLY 4 78.452 2.922 2.936
27 HA PRO 5 HA PRO 5 82.350 4.353 5.041
28 HB2 PRO 5 HB2 PRO 5 83.281 1.900 5.945
29 HB3 PRO 5 HB3 PRO 5 82.147 2.974 6.811
30 HG2 PRO 5 HG2 PRO 5 81.500 0.553 5.133
31 HG3 PRO 5 HG3 PRO 5 80.802 1.040 6.700
32 HD2 PRO 5 HD2 PRO 5 79.563 1.495 4.305
33 HD3 PRO 5 HD3 PRO 5 79.407 2.626 5.683
34 H LYS 6 H LYS 6 83.781 4.973 3.587
35 HA LYS 6 HA LYS 6 84.881 3.469 1.405
36 HB2 LYS 6 HB2 LYS 6 84.952 5.971 1.578
37 HB3 LYS 6 HB3 LYS 6 85.998 5.836 2.992
38 HG2 LYS 6 HG2 LYS 6 87.761 4.797 1.629
39 HG3 LYS 6 HG3 LYS 6 86.724 4.855 0.197
40 HD2 LYS 6 HD2 LYS 6 86.797 7.281 0.173
41 HD3 LYS 6 HD3 LYS 6 87.593 7.319 1.767
42 HE2 LYS 6 HE2 LYS 6 89.528 6.086 0.846
43 HE3 LYS 6 HE3 LYS 6 88.773 6.053 -0.754
44 HZ1 LYS 6 HZ1 LYS 6 89.473 8.562 0.683
45 HZ2 LYS 6 HZ2 LYS 6 90.459 7.842 -0.399
46 HZ3 LYS 6 HZ3 LYS 6 88.997 8.435 -0.883
47 H GLY 7 H GLY 7 86.746 2.277 1.199
48 HA2 GLY 7 HA2 GLY 7 87.625 0.725 3.445
49 HA3 GLY 7 HA3 GLY 7 88.313 0.698 1.824
50 HA PRO 8 HA PRO 8 91.070 2.988 4.971
51 HB2 PRO 8 HB2 PRO 8 92.753 1.071 5.946
52 HB3 PRO 8 HB3 PRO 8 91.113 1.348 6.611
53 HG2 PRO 8 HG2 PRO 8 91.951 -0.700 4.531
54 HG3 PRO 8 HG3 PRO 8 91.026 -0.987 6.043
55 HD2 PRO 8 HD2 PRO 8 89.748 -0.663 3.667
56 HD3 PRO 8 HD3 PRO 8 89.091 0.053 5.165
57 H LYS 9 H LYS 9 93.233 3.635 4.749
58 HA LYS 9 HA LYS 9 94.514 3.490 2.195
59 HB2 LYS 9 HB2 LYS 9 94.770 5.350 3.846
60 HB3 LYS 9 HB3 LYS 9 95.597 4.250 4.954
61 HG2 LYS 9 HG2 LYS 9 97.457 3.997 3.449
62 HG3 LYS 9 HG3 LYS 9 96.619 4.887 2.156
63 HD2 LYS 9 HD2 LYS 9 96.701 6.951 3.468
64 HD3 LYS 9 HD3 LYS 9 97.379 6.077 4.862
65 HE2 LYS 9 HE2 LYS 9 99.367 5.464 3.516
66 HE3 LYS 9 HE3 LYS 9 98.723 6.357 2.129
67 HZ1 LYS 9 HZ1 LYS 9 99.313 7.611 4.762
68 HZ2 LYS 9 HZ2 LYS 9 100.381 7.581 3.537
69 HZ3 LYS 9 HZ3 LYS 9 98.956 8.401 3.367
70 H GLY 10 H GLY 10 96.124 2.231 1.381
71 HA2 GLY 10 HA2 GLY 10 96.356 -0.450 2.298
72 HA3 GLY 10 HA3 GLY 10 97.283 0.284 0.996
73 HA PRO 11 HA PRO 11 99.901 -0.701 4.831
74 HB2 PRO 11 HB2 PRO 11 101.271 -2.932 4.017
75 HB3 PRO 11 HB3 PRO 11 99.640 -2.991 4.751
76 HG2 PRO 11 HG2 PRO 11 100.354 -3.013 1.804
77 HG3 PRO 11 HG3 PRO 11 99.257 -4.130 2.680
78 HD2 PRO 11 HD2 PRO 11 98.286 -1.995 1.305
79 HD3 PRO 11 HD3 PRO 11 97.577 -2.476 2.873
80 H LYS 12 H LYS 12 102.049 -0.227 5.150
81 HA LYS 12 HA LYS 12 103.465 1.417 3.316
82 HB2 LYS 12 HB2 LYS 12 103.669 1.465 5.806
83 HB3 LYS 12 HB3 LYS 12 104.399 -0.138 5.785
84 HG2 LYS 12 HG2 LYS 12 106.395 0.663 4.727
85 HG3 LYS 12 HG3 LYS 12 105.658 2.238 4.359
86 HD2 LYS 12 HD2 LYS 12 105.552 2.848 6.676
87 HD3 LYS 12 HD3 LYS 12 106.001 1.231 7.224
88 HE2 LYS 12 HE2 LYS 12 107.864 2.867 5.460
89 HE3 LYS 12 HE3 LYS 12 107.782 3.158 7.200
90 HZ1 LYS 12 HZ1 LYS 12 108.423 0.506 6.018
91 HZ2 LYS 12 HZ2 LYS 12 109.528 1.550 6.635
92 HZ3 LYS 12 HZ3 LYS 12 108.407 0.877 7.614
93 H GLY 13 H GLY 13 105.134 1.103 1.918
94 HA2 GLY 13 HA2 GLY 13 105.239 -1.386 0.544
95 HA3 GLY 13 HA3 GLY 13 106.225 0.034 0.213
96 HA PRO 14 HA PRO 14 108.725 -3.532 2.067
97 HB2 PRO 14 HB2 PRO 14 109.915 -4.642 -0.117
98 HB3 PRO 14 HB3 PRO 14 108.234 -5.036 0.360
99 HG2 PRO 14 HG2 PRO 14 109.157 -3.014 -1.700
100 HG3 PRO 14 HG3 PRO 14 107.922 -4.300 -1.900
101 HD2 PRO 14 HD2 PRO 14 107.250 -1.721 -1.288
102 HD3 PRO 14 HD3 PRO 14 106.342 -3.111 -0.620
103 H LYS 15 H LYS 15 110.952 -3.604 2.453
104 HA LYS 15 HA LYS 15 112.478 -1.204 2.198
105 HB2 LYS 15 HB2 LYS 15 112.716 -2.935 3.986
106 HB3 LYS 15 HB3 LYS 15 113.397 -4.056 2.799
107 HG2 LYS 15 HG2 LYS 15 115.317 -2.597 2.451
108 HG3 LYS 15 HG3 LYS 15 114.612 -1.343 3.494
109 HD2 LYS 15 HD2 LYS 15 114.760 -2.830 5.442
110 HD3 LYS 15 HD3 LYS 15 115.361 -4.154 4.417
111 HE2 LYS 15 HE2 LYS 15 117.340 -2.809 3.812
112 HE3 LYS 15 HE3 LYS 15 116.760 -1.463 4.805
113 HZ1 LYS 15 HZ1 LYS 15 117.417 -4.164 5.865
114 HZ2 LYS 15 HZ2 LYS 15 118.440 -2.901 5.903
115 HZ3 LYS 15 HZ3 LYS 15 117.033 -2.845 6.769
116 H GLY 16 H GLY 16 113.994 -0.531 0.753
117 HA2 GLY 16 HA2 GLY 16 113.876 -1.424 -1.935
118 HA3 GLY 16 HA3 GLY 16 115.024 -0.257 -1.287
119 HA PRO 17 HA PRO 17 117.113 -4.349 -2.479
120 HB2 PRO 17 HB2 PRO 17 118.237 -3.755 -4.898
121 HB3 PRO 17 HB3 PRO 17 116.543 -4.306 -4.720
122 HG2 PRO 17 HG2 PRO 17 117.556 -1.462 -4.982
123 HG3 PRO 17 HG3 PRO 17 116.224 -2.247 -5.889
124 HD2 PRO 17 HD2 PRO 17 115.765 -0.684 -3.693
125 HD3 PRO 17 HD3 PRO 17 114.770 -2.131 -4.042
126 H LYS 18 H LYS 18 119.286 -4.811 -2.203
127 HA LYS 18 HA LYS 18 120.951 -3.041 -0.767
128 HB2 LYS 18 HB2 LYS 18 121.000 -5.554 -0.766
129 HB3 LYS 18 HB3 LYS 18 121.725 -5.506 -2.380
130 HG2 LYS 18 HG2 LYS 18 123.611 -4.142 -1.356
131 HG3 LYS 18 HG3 LYS 18 122.898 -4.428 0.223
132 HD2 LYS 18 HD2 LYS 18 124.698 -5.974 -0.074
133 HD3 LYS 18 HD3 LYS 18 123.195 -6.911 -0.186
134 HE2 LYS 18 HE2 LYS 18 123.342 -6.870 -2.655
135 HE3 LYS 18 HE3 LYS 18 124.768 -5.818 -2.573
136 HZ1 LYS 18 HZ1 LYS 18 124.683 -8.581 -1.456
137 HZ2 LYS 18 HZ2 LYS 18 125.306 -8.207 -2.918
138 HZ3 LYS 18 HZ3 LYS 18 126.016 -7.620 -1.573
139 H GLY 19 H GLY 19 122.737 -1.816 -1.235
140 HA2 GLY 19 HA2 GLY 19 122.928 -0.554 -3.832
141 HA3 GLY 19 HA3 GLY 19 123.948 -0.255 -2.433
142 HA PRO 20 HA PRO 20 126.291 -2.548 -5.830
143 HB2 PRO 20 HB2 PRO 20 127.777 -0.563 -6.951
144 HB3 PRO 20 HB3 PRO 20 126.054 -0.814 -7.364
145 HG2 PRO 20 HG2 PRO 20 127.214 1.151 -5.361
146 HG3 PRO 20 HG3 PRO 20 126.039 1.480 -6.674
147 HD2 PRO 20 HD2 PRO 20 125.239 1.012 -4.100
148 HD3 PRO 20 HD3 PRO 20 124.284 0.448 -5.501
149 H LYS 21 H LYS 21 128.406 -3.314 -5.772
150 HA LYS 21 HA LYS 21 129.877 -3.286 -3.351
151 HB2 LYS 21 HB2 LYS 21 129.912 -5.084 -5.087
152 HB3 LYS 21 HB3 LYS 21 130.767 -4.000 -6.187
153 HG2 LYS 21 HG2 LYS 21 132.703 -3.936 -4.692
154 HG3 LYS 21 HG3 LYS 21 131.852 -4.920 -3.486
155 HD2 LYS 21 HD2 LYS 21 131.819 -6.831 -4.997
156 HD3 LYS 21 HD3 LYS 21 132.452 -5.840 -6.333
157 HE2 LYS 21 HE2 LYS 21 134.525 -5.413 -5.061
158 HE3 LYS 21 HE3 LYS 21 133.930 -6.400 -3.717
159 HZ1 LYS 21 HZ1 LYS 21 134.335 -7.456 -6.470
160 HZ2 LYS 21 HZ2 LYS 21 135.468 -7.547 -5.301
161 HZ3 LYS 21 HZ3 LYS 21 134.030 -8.339 -5.121
162 H GLY 22 H GLY 22 131.716 -2.317 -2.627
163 HA2 GLY 22 HA2 GLY 22 132.271 0.381 -3.506
164 HA3 GLY 22 HA3 GLY 22 133.094 -0.496 -2.222
165 HA PRO 23 HA PRO 23 135.841 -0.153 -6.079
166 HB2 PRO 23 HB2 PRO 23 137.362 2.054 -5.594
167 HB3 PRO 23 HB3 PRO 23 135.723 2.154 -6.305
168 HG2 PRO 23 HG2 PRO 23 136.507 2.514 -3.393
169 HG3 PRO 23 HG3 PRO 23 135.489 3.590 -4.405
170 HD2 PRO 23 HD2 PRO 23 134.401 1.718 -2.733
171 HD3 PRO 23 HD3 PRO 23 133.661 2.114 -4.311
172 H LYS 24 H LYS 24 138.020 -0.764 -6.230
173 HA LYS 24 HA LYS 24 139.179 -2.281 -4.118
174 HB2 LYS 24 HB2 LYS 24 139.521 -2.630 -6.570
175 HB3 LYS 24 HB3 LYS 24 140.436 -1.122 -6.644
176 HG2 LYS 24 HG2 LYS 24 142.164 -2.092 -5.147
177 HG3 LYS 24 HG3 LYS 24 141.242 -3.606 -5.059
178 HD2 LYS 24 HD2 LYS 24 141.546 -3.980 -7.461
179 HD3 LYS 24 HD3 LYS 24 142.212 -2.357 -7.663
180 HE2 LYS 24 HE2 LYS 24 144.065 -3.791 -7.745
181 HE3 LYS 24 HE3 LYS 24 144.141 -2.976 -6.184
182 HZ1 LYS 24 HZ1 LYS 24 143.100 -5.738 -6.599
183 HZ2 LYS 24 HZ2 LYS 24 144.616 -5.367 -6.099
184 HZ3 LYS 24 HZ3 LYS 24 143.328 -5.008 -5.132
185 H GLY 25 H GLY 25 140.886 -1.952 -2.741
186 HA2 GLY 25 HA2 GLY 25 141.357 0.724 -1.753
187 HA3 GLY 25 HA3 GLY 25 142.134 -0.749 -1.192
188 HA PRO 26 HA PRO 26 145.059 1.934 -3.805
189 HB2 PRO 26 HB2 PRO 26 146.425 3.406 -1.964
190 HB3 PRO 26 HB3 PRO 26 144.802 3.877 -2.555
191 HG2 PRO 26 HG2 PRO 26 145.481 2.336 -0.031
192 HG3 PRO 26 HG3 PRO 26 144.452 3.799 -0.179
193 HD2 PRO 26 HD2 PRO 26 143.366 1.300 -0.128
194 HD3 PRO 26 HD3 PRO 26 142.698 2.578 -1.181
195 H LYS 27 H LYS 27 147.356 1.761 -4.052
196 HA LYS 27 HA LYS 27 148.549 -0.731 -3.415
197 HB2 LYS 27 HB2 LYS 27 149.140 0.753 -5.338
198 HB3 LYS 27 HB3 LYS 27 149.862 1.909 -4.213
199 HG2 LYS 27 HG2 LYS 27 151.556 0.252 -3.550
200 HG3 LYS 27 HG3 LYS 27 150.797 -0.973 -4.586
201 HD2 LYS 27 HD2 LYS 27 151.338 0.315 -6.586
202 HD3 LYS 27 HD3 LYS 27 151.918 1.679 -5.601
203 HE2 LYS 27 HE2 LYS 27 153.696 0.246 -4.644
204 HE3 LYS 27 HE3 LYS 27 153.140 -1.121 -5.623
205 HZ1 LYS 27 HZ1 LYS 27 154.157 1.447 -6.737
206 HZ2 LYS 27 HZ2 LYS 27 155.038 0.074 -6.616
207 HZ3 LYS 27 HZ3 LYS 27 153.732 0.128 -7.613
208 H GLY 28 H GLY 28 150.014 -1.426 -1.926
209 HA2 GLY 28 HA2 GLY 28 149.986 -0.290 0.684
210 HA3 GLY 28 HA3 GLY 28 151.009 -1.622 0.154
211 HA PRO 29 HA PRO 29 153.214 2.518 0.902
212 HB2 PRO 29 HB2 PRO 29 154.284 2.257 3.424
213 HB3 PRO 29 HB3 PRO 29 152.623 2.830 3.092
214 HG2 PRO 29 HG2 PRO 29 153.521 0.035 3.819
215 HG3 PRO 29 HG3 PRO 29 152.177 0.981 4.532
216 HD2 PRO 29 HD2 PRO 29 151.716 -0.872 2.592
217 HD3 PRO 29 HD3 PRO 29 150.816 0.671 2.630
218 H LYS 30 H LYS 30 155.258 3.072 0.736
219 HA LYS 30 HA LYS 30 157.386 3.125 0.147
220 HB2 LYS 30 HB2 LYS 30 157.382 2.300 2.608
221 HB3 LYS 30 HB3 LYS 30 157.892 0.759 1.968
222 HG2 LYS 30 HG2 LYS 30 159.770 2.045 2.825
223 HG3 LYS 30 HG3 LYS 30 159.972 1.768 1.111
224 HD2 LYS 30 HD2 LYS 30 160.677 4.014 1.734
225 HD3 LYS 30 HD3 LYS 30 159.313 4.106 0.623
226 HE2 LYS 30 HE2 LYS 30 157.773 4.502 2.547
227 HE3 LYS 30 HE3 LYS 30 159.138 4.358 3.665
228 HZ1 LYS 30 HZ1 LYS 30 158.870 6.458 1.571
229 HZ2 LYS 30 HZ2 LYS 30 158.642 6.683 3.171
230 HZ3 LYS 30 HZ3 LYS 30 160.129 6.321 2.608
231 H GLY 31 H GLY 31 159.368 2.012 -0.697
232 HA2 GLY 31 HA2 GLY 31 159.367 -0.343 -2.248
233 HA3 GLY 31 HA3 GLY 31 158.668 0.952 -3.236
234 HN1 NH2 32 HN1 NH2 32 160.733 0.293 -4.519
235 HN2 NH2 32 HN2 NH2 32 162.168 1.223 -4.140
236 H1 ACE 33 H1 ACE 33 72.462 1.762 -2.056
237 H2 ACE 33 H2 ACE 33 72.015 3.461 -1.788
238 H3 ACE 33 H3 ACE 33 73.665 3.047 -2.315
239 H ASP 34 H ASP 34 74.451 1.094 -0.777
240 HA ASP 34 HA ASP 34 74.554 2.218 1.967
241 HB2 ASP 34 HB2 ASP 34 72.701 0.547 1.852
242 HB3 ASP 34 HB3 ASP 34 73.876 -0.691 1.420
243 HA HYP 35 HA HYP 35 78.502 -0.465 1.252
244 HB2 HYP 35 HB2 HYP 35 78.740 -0.162 -1.731
245 HB3 HYP 35 HB3 HYP 35 79.321 -1.492 -0.690
246 HG HYP 35 HG HYP 35 77.064 -1.733 -2.204
247 HD22 HYP 35 HD22 HYP 35 75.937 0.202 -1.523
248 HD23 HYP 35 HD23 HYP 35 75.233 -0.972 -0.370
249 HD1 HYP 35 HD1 HYP 35 77.673 -3.363 -0.740
250 H GLY 36 H GLY 36 80.736 0.348 0.689
251 HA2 GLY 36 HA2 GLY 36 80.864 3.233 -0.151
252 HA3 GLY 36 HA3 GLY 36 81.779 2.615 1.213
253 H ASP 37 H ASP 37 83.102 3.929 -0.708
254 HA ASP 37 HA ASP 37 83.942 2.347 -2.948
255 HB2 ASP 37 HB2 ASP 37 84.777 5.043 -1.806
256 HB3 ASP 37 HB3 ASP 37 85.370 4.411 -3.330
257 HA HYP 38 HA HYP 38 87.852 0.535 -1.688
258 HB2 HYP 38 HB2 HYP 38 89.124 1.912 -4.034
259 HB3 HYP 38 HB3 HYP 38 89.205 0.194 -3.568
260 HG HYP 38 HG HYP 38 87.619 1.102 -5.614
261 HD22 HYP 38 HD22 HYP 38 86.329 2.701 -4.525
262 HD23 HYP 38 HD23 HYP 38 85.300 1.279 -4.199
263 HD1 HYP 38 HD1 HYP 38 87.598 -1.076 -5.033
264 H GLY 39 H GLY 39 89.895 0.949 -0.759
265 HA2 GLY 39 HA2 GLY 39 90.367 3.647 0.272
266 HA3 GLY 39 HA3 GLY 39 91.236 2.180 0.678
267 H ASP 40 H ASP 40 92.592 4.514 0.435
268 HA ASP 40 HA ASP 40 93.751 4.908 -2.190
269 HB2 ASP 40 HB2 ASP 40 94.137 6.094 0.571
270 HB3 ASP 40 HB3 ASP 40 95.241 6.479 -0.737
271 HA HYP 41 HA HYP 41 97.435 2.361 -2.059
272 HB2 HYP 41 HB2 HYP 41 98.953 4.818 -2.868
273 HB3 HYP 41 HB3 HYP 41 98.986 3.188 -3.591
274 HG HYP 41 HG HYP 41 97.621 5.306 -4.705
275 HD22 HYP 41 HD22 HYP 41 96.134 5.891 -3.023
276 HD23 HYP 41 HD23 HYP 41 95.161 4.576 -3.741
277 HD1 HYP 41 HD1 HYP 41 97.617 3.256 -5.662
278 H GLY 42 H GLY 42 99.228 1.865 -0.814
279 HA2 GLY 42 HA2 GLY 42 99.517 3.152 1.751
280 HA3 GLY 42 HA3 GLY 42 100.433 1.784 1.152
281 H ASP 43 H ASP 43 101.679 3.510 2.779
282 HA ASP 43 HA ASP 43 103.058 5.669 1.497
283 HB2 ASP 43 HB2 ASP 43 103.477 4.121 4.087
284 HB3 ASP 43 HB3 ASP 43 104.392 5.549 3.638
285 HA HYP 44 HA HYP 44 106.548 3.574 -0.366
286 HB2 HYP 44 HB2 HYP 44 108.316 5.696 0.808
287 HB3 HYP 44 HB3 HYP 44 108.177 5.163 -0.888
288 HG HYP 44 HG HYP 44 107.084 7.512 0.019
289 HD22 HYP 44 HD22 HYP 44 105.745 6.712 1.764
290 HD23 HYP 44 HD23 HYP 44 104.565 6.613 0.426
291 HD1 HYP 44 HD1 HYP 44 106.762 6.930 -2.116
292 H GLY 45 H GLY 45 108.245 2.158 0.097
293 HA2 GLY 45 HA2 GLY 45 108.762 1.395 2.874
294 HA3 GLY 45 HA3 GLY 45 109.460 0.685 1.427
295 H ASP 46 H ASP 46 111.051 0.963 3.593
296 HA ASP 46 HA ASP 46 112.632 3.393 3.614
297 HB2 ASP 46 HB2 ASP 46 112.870 0.616 4.840
298 HB3 ASP 46 HB3 ASP 46 114.133 1.819 5.016
299 HA HYP 47 HA HYP 47 115.548 2.396 0.394
300 HB2 HYP 47 HB2 HYP 47 117.977 3.259 1.630
301 HB3 HYP 47 HB3 HYP 47 116.888 4.185 0.572
302 HG HYP 47 HG HYP 47 117.167 4.241 3.532
303 HD22 HYP 47 HD22 HYP 47 115.001 3.880 4.113
304 HD23 HYP 47 HD23 HYP 47 114.368 4.744 2.683
305 HD1 HYP 47 HD1 HYP 47 116.538 6.360 3.184
306 H GLY 48 H GLY 48 117.343 1.045 -0.203
307 HA2 GLY 48 HA2 GLY 48 117.569 -1.426 1.270
308 HA3 GLY 48 HA3 GLY 48 118.472 -0.977 -0.166
309 H ASP 49 H ASP 49 119.665 -2.520 1.716
310 HA ASP 49 HA ASP 49 121.273 -1.024 3.595
311 HB2 ASP 49 HB2 ASP 49 121.356 -3.861 2.490
312 HB3 ASP 49 HB3 ASP 49 122.396 -3.275 3.772
313 HA HYP 50 HA HYP 50 124.784 0.103 1.091
314 HB2 HYP 50 HB2 HYP 50 126.562 -1.304 3.055
315 HB3 HYP 50 HB3 HYP 50 126.685 0.356 2.413
316 HG HYP 50 HG HYP 50 125.727 -0.222 4.930
317 HD22 HYP 50 HD22 HYP 50 123.921 -1.605 4.466
318 HD23 HYP 50 HD23 HYP 50 123.071 -0.047 4.263
319 HD1 HYP 50 HD1 HYP 50 125.864 1.902 4.125
320 H GLY 51 H GLY 51 126.162 -0.681 -0.490
321 HA2 GLY 51 HA2 GLY 51 126.312 -3.408 -1.341
322 HA3 GLY 51 HA3 GLY 51 127.385 -2.110 -1.800
323 H ASP 52 H ASP 52 128.251 -4.705 -1.563
324 HA ASP 52 HA ASP 52 129.534 -5.268 0.920
325 HB2 ASP 52 HB2 ASP 52 129.902 -6.225 -1.944
326 HB3 ASP 52 HB3 ASP 52 130.849 -6.843 -0.600
327 HA HYP 53 HA HYP 53 133.220 -2.718 0.746
328 HB2 HYP 53 HB2 HYP 53 134.752 -5.163 1.563
329 HB3 HYP 53 HB3 HYP 53 134.755 -3.536 2.296
330 HG HYP 53 HG HYP 53 133.436 -5.662 3.419
331 HD22 HYP 53 HD22 HYP 53 132.027 -6.295 1.660
332 HD23 HYP 53 HD23 HYP 53 130.963 -5.086 2.434
333 HD1 HYP 53 HD1 HYP 53 132.043 -4.139 4.370
334 H GLY 54 H GLY 54 134.915 -2.250 -0.648
335 HA2 GLY 54 HA2 GLY 54 135.255 -3.771 -3.096
336 HA3 GLY 54 HA3 GLY 54 136.212 -2.390 -2.575
337 H ASP 55 H ASP 55 137.386 -4.512 -3.922
338 HA ASP 55 HA ASP 55 138.560 -6.476 -2.222
339 HB2 ASP 55 HB2 ASP 55 139.103 -5.420 -5.006
340 HB3 ASP 55 HB3 ASP 55 140.216 -6.547 -4.250
341 HA HYP 56 HA HYP 56 142.017 -4.362 -0.298
342 HB2 HYP 56 HB2 HYP 56 143.674 -6.724 -1.145
343 HB3 HYP 56 HB3 HYP 56 143.532 -5.979 0.469
344 HG HYP 56 HG HYP 56 142.291 -8.337 -0.182
345 HD22 HYP 56 HD22 HYP 56 141.062 -7.686 -2.060
346 HD23 HYP 56 HD23 HYP 56 139.858 -7.304 -0.797
347 HD1 HYP 56 HD1 HYP 56 141.954 -7.464 1.848
348 H GLY 57 H GLY 57 143.813 -3.096 -0.864
349 HA2 GLY 57 HA2 GLY 57 144.617 -2.803 -3.658
350 HA3 GLY 57 HA3 GLY 57 145.383 -2.065 -2.257
351 H ASP 58 H ASP 58 146.831 -3.111 -4.409
352 HA ASP 58 HA ASP 58 147.946 -5.697 -3.622
353 HB2 ASP 58 HB2 ASP 58 148.297 -3.779 -5.926
354 HB3 ASP 58 HB3 ASP 58 149.496 -5.024 -5.629
355 HA HYP 59 HA HYP 59 151.155 -4.525 -0.984
356 HB2 HYP 59 HB2 HYP 59 153.237 -5.848 -2.679
357 HB3 HYP 59 HB3 HYP 59 152.831 -6.142 -0.971
358 HG HYP 59 HG HYP 59 152.127 -7.831 -3.025
359 HD22 HYP 59 HD22 HYP 59 150.839 -6.438 -4.357
360 HD23 HYP 59 HD23 HYP 59 149.547 -6.966 -3.248
361 HD1 HYP 59 HD1 HYP 59 150.501 -8.597 -1.682
362 H GLY 60 H GLY 60 153.021 -3.201 -0.562
363 HA2 GLY 60 HA2 GLY 60 153.967 -1.271 -2.544
364 HA3 GLY 60 HA3 GLY 60 154.726 -1.641 -0.999
365 H ASP 61 H ASP 61 156.355 -1.248 -3.241
366 HA ASP 61 HA ASP 61 156.974 -3.706 -4.610
367 HB2 ASP 61 HB2 ASP 61 158.304 -1.003 -4.336
368 HB3 ASP 61 HB3 ASP 61 159.050 -2.331 -5.195
369 HA HYP 62 HA HYP 62 159.358 -5.672 -1.372
370 HB2 HYP 62 HB2 HYP 62 161.033 -6.738 -3.643
371 HB3 HYP 62 HB3 HYP 62 160.343 -7.616 -2.248
372 HG HYP 62 HG HYP 62 159.202 -7.729 -4.715
373 HD22 HYP 62 HD22 HYP 62 158.960 -5.450 -5.214
374 HD23 HYP 62 HD23 HYP 62 157.394 -5.719 -4.395
375 HD1 HYP 62 HD1 HYP 62 157.205 -8.034 -3.670
376 H GLY 63 H GLY 63 161.039 -3.705 -3.769
377 HA2 GLY 63 HA2 GLY 63 162.922 -2.540 -1.975
378 HA3 GLY 63 HA3 GLY 63 163.705 -3.862 -2.847
379 HN1 NH2 64 HN1 NH2 64 165.019 -1.813 -3.503
380 HN2 NH2 64 HN2 NH2 64 164.487 -1.025 -4.976
381 H1 ACE 65 H1 ACE 65 80.384 -7.147 2.535
382 H2 ACE 65 H2 ACE 65 80.212 -6.624 4.224
383 H3 ACE 65 H3 ACE 65 78.765 -6.895 3.222
384 HA PRO 66 HA PRO 66 78.596 -2.596 2.353
385 HB2 PRO 66 HB2 PRO 66 79.185 -1.720 5.175
386 HB3 PRO 66 HB3 PRO 66 77.862 -1.219 4.082
387 HG2 PRO 66 HG2 PRO 66 77.418 -3.027 6.061
388 HG3 PRO 66 HG3 PRO 66 76.686 -3.255 4.439
389 HD2 PRO 66 HD2 PRO 66 79.140 -4.586 5.595
390 HD3 PRO 66 HD3 PRO 66 77.809 -5.294 4.635
391 HA HYP 67 HA HYP 67 82.612 -0.402 3.578
392 HB2 HYP 67 HB2 HYP 67 84.795 -1.716 4.606
393 HB3 HYP 67 HB3 HYP 67 83.501 -0.981 5.595
394 HG HYP 67 HG HYP 67 83.843 -3.878 4.785
395 HD22 HYP 67 HD22 HYP 67 81.584 -4.203 4.577
396 HD23 HYP 67 HD23 HYP 67 81.155 -2.883 5.704
397 HD1 HYP 67 HD1 HYP 67 83.233 -4.146 6.978
398 H GLY 68 H GLY 68 84.006 0.187 2.030
399 HA2 GLY 68 HA2 GLY 68 84.513 -1.505 -0.252
400 HA3 GLY 68 HA3 GLY 68 85.237 0.068 0.055
401 HA PRO 69 HA PRO 69 88.153 -3.608 0.903
402 HB2 PRO 69 HB2 PRO 69 89.676 -3.759 -1.387
403 HB3 PRO 69 HB3 PRO 69 88.121 -4.616 -1.161
404 HG2 PRO 69 HG2 PRO 69 88.597 -1.953 -2.532
405 HG3 PRO 69 HG3 PRO 69 87.664 -3.359 -3.143
406 HD2 PRO 69 HD2 PRO 69 86.427 -1.259 -1.936
407 HD3 PRO 69 HD3 PRO 69 85.877 -2.936 -1.652
408 HA HYP 70 HA HYP 70 91.630 -0.877 2.036
409 HB2 HYP 70 HB2 HYP 70 93.347 -3.245 1.359
410 HB3 HYP 70 HB3 HYP 70 93.372 -2.227 2.822
411 HG HYP 70 HG HYP 70 92.275 -4.741 2.769
412 HD22 HYP 70 HD22 HYP 70 90.669 -4.532 1.091
413 HD23 HYP 70 HD23 HYP 70 89.678 -3.936 2.454
414 HD1 HYP 70 HD1 HYP 70 91.010 -4.090 4.515
415 H GLY 71 H GLY 71 93.210 0.367 0.967
416 HA2 GLY 71 HA2 GLY 71 93.339 0.254 -1.934
417 HA3 GLY 71 HA3 GLY 71 94.290 1.298 -0.893
418 HA PRO 72 HA PRO 72 96.755 -2.332 -2.660
419 HB2 PRO 72 HB2 PRO 72 98.325 -0.677 -4.435
420 HB3 PRO 72 HB3 PRO 72 97.212 -2.010 -4.833
421 HG2 PRO 72 HG2 PRO 72 96.781 0.784 -5.276
422 HG3 PRO 72 HG3 PRO 72 95.607 -0.539 -5.472
423 HD2 PRO 72 HD2 PRO 72 95.814 1.425 -3.282
424 HD3 PRO 72 HD3 PRO 72 94.446 0.392 -3.771
425 HA HYP 73 HA HYP 73 100.339 -1.522 -0.040
426 HB2 HYP 73 HB2 HYP 73 102.008 -2.807 -2.179
427 HB3 HYP 73 HB3 HYP 73 101.972 -3.149 -0.429
428 HG HYP 73 HG HYP 73 100.765 -4.767 -2.299
429 HD22 HYP 73 HD22 HYP 73 99.283 -3.305 -3.335
430 HD23 HYP 73 HD23 HYP 73 98.251 -3.783 -1.956
431 HD1 HYP 73 HD1 HYP 73 100.641 -5.256 -0.103
432 H GLY 74 H GLY 74 102.084 -0.107 0.198
433 HA2 GLY 74 HA2 GLY 74 102.468 1.995 -1.763
434 HA3 GLY 74 HA3 GLY 74 103.368 1.770 -0.269
435 HA PRO 75 HA PRO 75 105.768 0.532 -4.166
436 HB2 PRO 75 HB2 PRO 75 107.390 2.696 -4.631
437 HB3 PRO 75 HB3 PRO 75 105.705 2.579 -5.221
438 HG2 PRO 75 HG2 PRO 75 106.706 3.954 -2.710
439 HG3 PRO 75 HG3 PRO 75 105.619 4.619 -3.972
440 HD2 PRO 75 HD2 PRO 75 104.636 3.547 -1.669
441 HD3 PRO 75 HD3 PRO 75 103.801 3.308 -3.232
442 HA HYP 76 HA HYP 76 109.531 -0.739 -1.949
443 HB2 HYP 76 HB2 HYP 76 110.958 -0.163 -4.531
444 HB3 HYP 76 HB3 HYP 76 111.038 -1.623 -3.511
445 HG HYP 76 HG HYP 76 109.616 -1.506 -5.863
446 HD22 HYP 76 HD22 HYP 76 108.144 0.245 -5.452
447 HD23 HYP 76 HD23 HYP 76 107.178 -1.065 -4.714
448 HD1 HYP 76 HD1 HYP 76 109.648 -3.387 -4.614
449 H GLY 77 H GLY 77 111.295 0.266 -0.908
450 HA2 GLY 77 HA2 GLY 77 111.687 3.143 -1.181
451 HA3 GLY 77 HA3 GLY 77 112.647 2.052 -0.196
452 HA PRO 78 HA PRO 78 114.874 3.398 -4.159
453 HB2 PRO 78 HB2 PRO 78 116.856 4.941 -2.732
454 HB3 PRO 78 HB3 PRO 78 115.649 5.489 -3.921
455 HG2 PRO 78 HG2 PRO 78 115.637 5.945 -1.076
456 HG3 PRO 78 HG3 PRO 78 114.386 6.390 -2.268
457 HD2 PRO 78 HD2 PRO 78 114.369 4.198 -0.323
458 HD3 PRO 78 HD3 PRO 78 113.033 4.866 -1.297
459 HA HYP 79 HA HYP 79 118.175 0.362 -3.667
460 HB2 HYP 79 HB2 HYP 79 119.947 2.274 -5.160
461 HB3 HYP 79 HB3 HYP 79 119.673 0.536 -5.455
462 HG HYP 79 HG HYP 79 118.531 2.506 -6.994
463 HD22 HYP 79 HD22 HYP 79 117.362 3.743 -5.396
464 HD23 HYP 79 HD23 HYP 79 116.112 2.516 -5.749
465 HD1 HYP 79 HD1 HYP 79 118.092 0.331 -7.397
466 H GLY 80 H GLY 80 119.951 -0.041 -2.342
467 HA2 GLY 80 HA2 GLY 80 120.512 1.823 -0.258
468 HA3 GLY 80 HA3 GLY 80 121.342 0.293 -0.521
469 HA PRO 81 HA PRO 81 124.100 3.995 -1.504
470 HB2 PRO 81 HB2 PRO 81 125.689 3.661 0.891
471 HB3 PRO 81 HB3 PRO 81 124.731 5.072 0.368
472 HG2 PRO 81 HG2 PRO 81 124.099 3.324 2.519
473 HG3 PRO 81 HG3 PRO 81 123.013 4.496 1.745
474 HD2 PRO 81 HD2 PRO 81 123.124 1.552 1.359
475 HD3 PRO 81 HD3 PRO 81 121.762 2.691 1.193
476 HA HYP 82 HA HYP 82 127.475 1.409 -3.056
477 HB2 HYP 82 HB2 HYP 82 129.308 3.643 -2.243
478 HB3 HYP 82 HB3 HYP 82 129.211 2.784 -3.804
479 HG HYP 82 HG HYP 82 128.181 5.303 -3.427
480 HD22 HYP 82 HD22 HYP 82 126.707 4.949 -1.654
481 HD23 HYP 82 HD23 HYP 82 125.610 4.542 -3.007
482 HD1 HYP 82 HD1 HYP 82 127.949 4.278 -5.414
483 H GLY 83 H GLY 83 128.962 -0.053 -2.235
484 HA2 GLY 83 HA2 GLY 83 129.273 -0.353 0.608
485 HA3 GLY 83 HA3 GLY 83 130.136 -1.266 -0.630
486 HA PRO 84 HA PRO 84 132.816 2.020 1.501
487 HB2 PRO 84 HB2 PRO 84 134.251 0.141 3.157
488 HB3 PRO 84 HB3 PRO 84 133.263 1.546 3.636
489 HG2 PRO 84 HG2 PRO 84 132.576 -1.204 3.957
490 HG3 PRO 84 HG3 PRO 84 131.510 0.204 4.164
491 HD2 PRO 84 HD2 PRO 84 131.642 -1.680 1.887
492 HD3 PRO 84 HD3 PRO 84 130.316 -0.620 2.427
493 HA HYP 85 HA HYP 85 136.304 1.041 -1.250
494 HB2 HYP 85 HB2 HYP 85 137.977 2.423 0.828
495 HB3 HYP 85 HB3 HYP 85 137.943 2.680 -0.937
496 HG HYP 85 HG HYP 85 136.749 4.399 0.846
497 HD22 HYP 85 HD22 HYP 85 135.272 2.986 1.962
498 HD23 HYP 85 HD23 HYP 85 134.233 3.422 0.572
499 HD1 HYP 85 HD1 HYP 85 136.583 4.840 -1.329
500 H GLY 86 H GLY 86 137.955 -0.502 -1.375
501 HA2 GLY 86 HA2 GLY 86 138.287 -2.440 0.738
502 HA3 GLY 86 HA3 GLY 86 139.252 -2.324 -0.729
503 HA PRO 87 HA PRO 87 141.611 -0.746 3.106
504 HB2 PRO 87 HB2 PRO 87 143.128 -2.926 3.821
505 HB3 PRO 87 HB3 PRO 87 141.476 -2.625 4.439
506 HG2 PRO 87 HG2 PRO 87 142.304 -4.397 2.120
507 HG3 PRO 87 HG3 PRO 87 141.218 -4.805 3.487
508 HD2 PRO 87 HD2 PRO 87 140.231 -4.009 1.078
509 HD3 PRO 87 HD3 PRO 87 139.464 -3.488 2.606
510 HA HYP 88 HA HYP 88 145.342 -0.055 0.585
511 HB2 HYP 88 HB2 HYP 88 146.839 -0.199 3.181
512 HB3 HYP 88 HB3 HYP 88 146.920 1.047 1.909
513 HG HYP 88 HG HYP 88 145.590 1.413 4.291
514 HD22 HYP 88 HD22 HYP 88 144.054 -0.337 4.245
515 HD23 HYP 88 HD23 HYP 88 143.092 0.864 3.336
516 HD1 HYP 88 HD1 HYP 88 145.631 3.035 2.723
517 H GLY 89 H GLY 89 147.050 -1.320 -0.255
518 HA2 GLY 89 HA2 GLY 89 147.246 -4.126 0.411
519 HA3 GLY 89 HA3 GLY 89 148.373 -3.218 -0.591
520 HA PRO 90 HA PRO 90 150.119 -4.165 3.710
521 HB2 PRO 90 HB2 PRO 90 151.741 -6.338 3.274
522 HB3 PRO 90 HB3 PRO 90 149.999 -6.456 3.668
523 HG2 PRO 90 HG2 PRO 90 151.301 -6.513 0.938
524 HG3 PRO 90 HG3 PRO 90 150.090 -7.661 1.602
525 HD2 PRO 90 HD2 PRO 90 149.356 -5.600 -0.020
526 HD3 PRO 90 HD3 PRO 90 148.339 -6.088 1.367
527 HA HYP 91 HA HYP 91 153.958 -1.956 2.881
528 HB2 HYP 91 HB2 HYP 91 155.309 -3.822 4.809
529 HB3 HYP 91 HB3 HYP 91 155.334 -2.039 4.768
530 HG HYP 91 HG HYP 91 153.814 -3.487 6.554
531 HD22 HYP 91 HD22 HYP 91 152.444 -4.737 5.155
532 HD23 HYP 91 HD23 HYP 91 151.473 -3.237 5.174
533 HD1 HYP 91 HD1 HYP 91 153.736 -1.262 6.637
534 H GLY 92 H GLY 92 155.671 -2.084 1.484
535 HA2 GLY 92 HA2 GLY 92 156.064 -4.552 -0.016
536 HA3 GLY 92 HA3 GLY 92 156.839 -2.995 -0.293
537 HA PRO 93 HA PRO 93 160.555 -4.599 1.461
538 HB2 PRO 93 HB2 PRO 93 161.758 -2.539 2.786
539 HB3 PRO 93 HB3 PRO 93 161.440 -2.491 1.025
540 HG2 PRO 93 HG2 PRO 93 159.754 -1.302 3.256
541 HG3 PRO 93 HG3 PRO 93 160.338 -0.502 1.761
542 HD2 PRO 93 HD2 PRO 93 157.840 -1.595 1.968
543 HD3 PRO 93 HD3 PRO 93 158.756 -1.627 0.430
544 HA HYP 94 HA HYP 94 160.371 -5.988 5.796
545 HB2 HYP 94 HB2 HYP 94 163.293 -5.292 5.956
546 HB3 HYP 94 HB3 HYP 94 162.474 -6.808 6.417
547 HG HYP 94 HG HYP 94 163.933 -6.588 4.114
548 HD22 HYP 94 HD22 HYP 94 162.901 -4.707 3.160
549 HD23 HYP 94 HD23 HYP 94 161.913 -5.993 2.410
550 HD1 HYP 94 HD1 HYP 94 162.774 -8.485 4.603
551 H GLY 95 H GLY 95 160.188 -5.054 7.872
552 HA2 GLY 95 HA2 GLY 95 161.450 -2.650 8.764
553 HA3 GLY 95 HA3 GLY 95 159.882 -2.231 8.069
554 HN1 NH2 96 HN1 NH2 96 160.444 -5.281 9.904
555 HN2 NH2 96 HN2 NH2 96 159.426 -4.811 11.248
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 76.917 9.683 -4.819
2 H2 ACE 1 H2 ACE 1 76.152 9.768 -3.224
3 H3 ACE 1 H3 ACE 1 77.382 8.524 -3.559
4 HA PRO 2 HA PRO 2 74.972 8.458 -1.733
5 HB2 PRO 2 HB2 PRO 2 73.982 6.185 -0.585
6 HB3 PRO 2 HB3 PRO 2 72.949 7.404 -1.389
7 HG2 PRO 2 HG2 PRO 2 74.030 4.821 -2.566
8 HG3 PRO 2 HG3 PRO 2 72.341 5.425 -2.587
9 HD2 PRO 2 HD2 PRO 2 74.016 5.808 -4.701
10 HD3 PRO 2 HD3 PRO 2 72.851 7.069 -4.206
11 H LYS 3 H LYS 3 76.344 5.577 -3.231
12 HA LYS 3 HA LYS 3 77.932 4.025 -2.581
13 HB2 LYS 3 HB2 LYS 3 79.357 6.643 -1.992
14 HB3 LYS 3 HB3 LYS 3 80.151 5.066 -2.117
15 HG2 LYS 3 HG2 LYS 3 79.411 4.814 -4.441
16 HG3 LYS 3 HG3 LYS 3 78.665 6.428 -4.386
17 HD2 LYS 3 HD2 LYS 3 80.834 7.460 -3.888
18 HD3 LYS 3 HD3 LYS 3 81.605 5.865 -3.774
19 HE2 LYS 3 HE2 LYS 3 81.136 5.433 -6.150
20 HE3 LYS 3 HE3 LYS 3 80.340 7.009 -6.299
21 HZ1 LYS 3 HZ1 LYS 3 83.197 6.631 -5.514
22 HZ2 LYS 3 HZ2 LYS 3 82.693 7.057 -7.021
23 HZ3 LYS 3 HZ3 LYS 3 82.454 8.069 -5.759
24 H GLY 4 H GLY 4 79.864 5.117 -0.314
25 HA2 GLY 4 HA2 GLY 4 78.685 4.578 2.207
26 HA3 GLY 4 HA3 GLY 4 79.336 3.075 1.527
27 HA PRO 5 HA PRO 5 82.590 5.698 3.722
28 HB2 PRO 5 HB2 PRO 5 83.647 3.746 5.384
29 HB3 PRO 5 HB3 PRO 5 82.261 4.803 5.785
30 HG2 PRO 5 HG2 PRO 5 82.197 1.979 4.689
31 HG3 PRO 5 HG3 PRO 5 81.250 2.666 6.049
32 HD2 PRO 5 HD2 PRO 5 80.185 2.424 3.572
33 HD3 PRO 5 HD3 PRO 5 79.833 3.863 4.574
34 H LYS 6 H LYS 6 84.678 5.940 3.173
35 HA LYS 6 HA LYS 6 85.876 4.443 1.016
36 HB2 LYS 6 HB2 LYS 6 86.215 6.885 1.430
37 HB3 LYS 6 HB3 LYS 6 87.028 6.518 2.953
38 HG2 LYS 6 HG2 LYS 6 88.870 5.452 1.804
39 HG3 LYS 6 HG3 LYS 6 88.024 5.551 0.245
40 HD2 LYS 6 HD2 LYS 6 88.205 7.967 0.220
41 HD3 LYS 6 HD3 LYS 6 88.822 7.995 1.889
42 HE2 LYS 6 HE2 LYS 6 90.838 6.787 1.220
43 HE3 LYS 6 HE3 LYS 6 90.236 6.613 -0.436
44 HZ1 LYS 6 HZ1 LYS 6 90.853 9.214 0.859
45 HZ2 LYS 6 HZ2 LYS 6 91.846 8.434 -0.176
46 HZ3 LYS 6 HZ3 LYS 6 90.394 9.006 -0.706
47 H GLY 7 H GLY 7 87.540 3.005 0.965
48 HA2 GLY 7 HA2 GLY 7 87.866 1.194 3.155
49 HA3 GLY 7 HA3 GLY 7 88.766 1.174 1.642
50 HA PRO 8 HA PRO 8 91.424 2.520 5.324
51 HB2 PRO 8 HB2 PRO 8 92.784 0.241 5.969
52 HB3 PRO 8 HB3 PRO 8 91.126 0.582 6.555
53 HG2 PRO 8 HG2 PRO 8 91.941 -1.085 4.154
54 HG3 PRO 8 HG3 PRO 8 90.828 -1.545 5.485
55 HD2 PRO 8 HD2 PRO 8 89.878 -0.569 3.128
56 HD3 PRO 8 HD3 PRO 8 89.127 -0.117 4.683
57 H LYS 9 H LYS 9 93.591 3.051 5.351
58 HA LYS 9 HA LYS 9 95.052 3.252 2.883
59 HB2 LYS 9 HB2 LYS 9 95.166 4.906 4.754
60 HB3 LYS 9 HB3 LYS 9 95.825 3.669 5.818
61 HG2 LYS 9 HG2 LYS 9 97.897 3.587 4.640
62 HG3 LYS 9 HG3 LYS 9 97.270 4.560 3.295
63 HD2 LYS 9 HD2 LYS 9 97.155 6.532 4.607
64 HD3 LYS 9 HD3 LYS 9 97.330 5.666 6.136
65 HE2 LYS 9 HE2 LYS 9 99.527 5.677 4.024
66 HE3 LYS 9 HE3 LYS 9 99.368 6.973 5.215
67 HZ1 LYS 9 HZ1 LYS 9 99.738 4.107 5.926
68 HZ2 LYS 9 HZ2 LYS 9 100.897 5.269 5.993
69 HZ3 LYS 9 HZ3 LYS 9 99.604 5.350 6.989
70 H GLY 10 H GLY 10 96.841 2.240 2.099
71 HA2 GLY 10 HA2 GLY 10 97.170 -0.557 2.731
72 HA3 GLY 10 HA3 GLY 10 98.082 0.365 1.545
73 HA PRO 11 HA PRO 11 100.691 -0.613 5.401
74 HB2 PRO 11 HB2 PRO 11 102.083 -2.841 4.660
75 HB3 PRO 11 HB3 PRO 11 100.422 -2.922 5.324
76 HG2 PRO 11 HG2 PRO 11 101.252 -2.905 2.402
77 HG3 PRO 11 HG3 PRO 11 100.176 -4.080 3.229
78 HD2 PRO 11 HD2 PRO 11 99.143 -1.977 1.858
79 HD3 PRO 11 HD3 PRO 11 98.430 -2.493 3.411
80 H LYS 12 H LYS 12 102.963 -0.360 5.676
81 HA LYS 12 HA LYS 12 104.358 1.318 3.840
82 HB2 LYS 12 HB2 LYS 12 104.726 1.220 6.311
83 HB3 LYS 12 HB3 LYS 12 105.397 -0.404 6.139
84 HG2 LYS 12 HG2 LYS 12 107.276 0.489 4.807
85 HG3 LYS 12 HG3 LYS 12 106.590 2.121 4.904
86 HD2 LYS 12 HD2 LYS 12 106.875 2.124 7.352
87 HD3 LYS 12 HD3 LYS 12 107.358 0.425 7.318
88 HE2 LYS 12 HE2 LYS 12 109.348 1.669 7.589
89 HE3 LYS 12 HE3 LYS 12 109.362 1.018 5.950
90 HZ1 LYS 12 HZ1 LYS 12 108.616 3.814 6.662
91 HZ2 LYS 12 HZ2 LYS 12 110.077 3.336 6.093
92 HZ3 LYS 12 HZ3 LYS 12 108.747 3.229 5.122
93 H GLY 13 H GLY 13 105.939 0.969 2.351
94 HA2 GLY 13 HA2 GLY 13 106.021 -1.540 0.944
95 HA3 GLY 13 HA3 GLY 13 106.995 -0.113 0.603
96 HA PRO 14 HA PRO 14 109.517 -3.626 2.546
97 HB2 PRO 14 HB2 PRO 14 110.759 -4.753 0.395
98 HB3 PRO 14 HB3 PRO 14 109.085 -5.176 0.869
99 HG2 PRO 14 HG2 PRO 14 109.973 -3.169 -1.222
100 HG3 PRO 14 HG3 PRO 14 108.778 -4.492 -1.411
101 HD2 PRO 14 HD2 PRO 14 108.003 -1.936 -0.859
102 HD3 PRO 14 HD3 PRO 14 107.159 -3.338 -0.139
103 H LYS 15 H LYS 15 111.730 -3.651 2.980
104 HA LYS 15 HA LYS 15 113.308 -1.294 2.702
105 HB2 LYS 15 HB2 LYS 15 113.541 -3.148 4.428
106 HB3 LYS 15 HB3 LYS 15 114.250 -4.159 3.160
107 HG2 LYS 15 HG2 LYS 15 115.970 -2.305 2.841
108 HG3 LYS 15 HG3 LYS 15 115.326 -1.522 4.269
109 HD2 LYS 15 HD2 LYS 15 117.251 -2.721 4.972
110 HD3 LYS 15 HD3 LYS 15 115.876 -3.686 5.542
111 HE2 LYS 15 HE2 LYS 15 116.120 -5.190 3.579
112 HE3 LYS 15 HE3 LYS 15 117.424 -4.172 2.945
113 HZ1 LYS 15 HZ1 LYS 15 117.565 -5.620 5.544
114 HZ2 LYS 15 HZ2 LYS 15 118.248 -6.146 4.157
115 HZ3 LYS 15 HZ3 LYS 15 118.787 -4.765 4.844
116 H GLY 16 H GLY 16 114.823 -0.631 1.234
117 HA2 GLY 16 HA2 GLY 16 114.861 -1.671 -1.444
118 HA3 GLY 16 HA3 GLY 16 115.958 -0.462 -0.787
119 HA PRO 17 HA PRO 17 118.133 -4.651 -1.375
120 HB2 PRO 17 HB2 PRO 17 119.289 -4.459 -3.834
121 HB3 PRO 17 HB3 PRO 17 117.585 -4.957 -3.607
122 HG2 PRO 17 HG2 PRO 17 118.637 -2.190 -4.283
123 HG3 PRO 17 HG3 PRO 17 117.328 -3.104 -5.099
124 HD2 PRO 17 HD2 PRO 17 116.814 -1.222 -3.177
125 HD3 PRO 17 HD3 PRO 17 115.819 -2.700 -3.342
126 H LYS 18 H LYS 18 120.355 -5.060 -1.153
127 HA LYS 18 HA LYS 18 121.968 -3.086 0.097
128 HB2 LYS 18 HB2 LYS 18 122.044 -5.561 0.437
129 HB3 LYS 18 HB3 LYS 18 122.752 -5.751 -1.172
130 HG2 LYS 18 HG2 LYS 18 124.751 -4.510 -0.473
131 HG3 LYS 18 HG3 LYS 18 124.028 -4.183 1.116
132 HD2 LYS 18 HD2 LYS 18 124.013 -6.578 1.639
133 HD3 LYS 18 HD3 LYS 18 124.588 -6.969 0.000
134 HE2 LYS 18 HE2 LYS 18 126.666 -5.708 0.405
135 HE3 LYS 18 HE3 LYS 18 126.121 -5.282 2.035
136 HZ1 LYS 18 HZ1 LYS 18 127.657 -7.228 1.900
137 HZ2 LYS 18 HZ2 LYS 18 126.236 -7.596 2.655
138 HZ3 LYS 18 HZ3 LYS 18 126.516 -8.083 1.113
139 H GLY 19 H GLY 19 123.797 -1.954 -0.498
140 HA2 GLY 19 HA2 GLY 19 124.000 -1.065 -3.258
141 HA3 GLY 19 HA3 GLY 19 125.017 -0.558 -1.917
142 HA PRO 20 HA PRO 20 127.356 -3.547 -4.792
143 HB2 PRO 20 HB2 PRO 20 128.765 -1.862 -6.414
144 HB3 PRO 20 HB3 PRO 20 127.077 -2.345 -6.756
145 HG2 PRO 20 HG2 PRO 20 128.038 0.182 -5.371
146 HG3 PRO 20 HG3 PRO 20 126.894 0.047 -6.746
147 HD2 PRO 20 HD2 PRO 20 126.001 0.275 -4.186
148 HD3 PRO 20 HD3 PRO 20 125.176 -0.787 -5.359
149 H LYS 21 H LYS 21 129.569 -4.101 -4.624
150 HA LYS 21 HA LYS 21 131.027 -3.224 -2.308
151 HB2 LYS 21 HB2 LYS 21 131.141 -5.503 -3.392
152 HB3 LYS 21 HB3 LYS 21 132.030 -4.775 -4.739
153 HG2 LYS 21 HG2 LYS 21 133.760 -4.018 -3.061
154 HG3 LYS 21 HG3 LYS 21 132.896 -4.884 -1.812
155 HD2 LYS 21 HD2 LYS 21 134.704 -6.255 -2.437
156 HD3 LYS 21 HD3 LYS 21 133.291 -7.004 -3.207
157 HE2 LYS 21 HE2 LYS 21 133.873 -5.888 -5.348
158 HE3 LYS 21 HE3 LYS 21 135.215 -5.041 -4.558
159 HZ1 LYS 21 HZ1 LYS 21 135.918 -7.055 -5.797
160 HZ2 LYS 21 HZ2 LYS 21 136.334 -7.149 -4.222
161 HZ3 LYS 21 HZ3 LYS 21 135.049 -8.005 -4.792
162 H GLY 22 H GLY 22 132.889 -1.986 -2.086
163 HA2 GLY 22 HA2 GLY 22 133.396 0.152 -4.022
164 HA3 GLY 22 HA3 GLY 22 134.226 -0.107 -2.498
165 HA PRO 23 HA PRO 23 136.960 -1.470 -6.133
166 HB2 PRO 23 HB2 PRO 23 138.558 0.698 -6.543
167 HB3 PRO 23 HB3 PRO 23 136.910 0.588 -7.231
168 HG2 PRO 23 HG2 PRO 23 137.761 1.969 -4.662
169 HG3 PRO 23 HG3 PRO 23 136.798 2.655 -6.012
170 HD2 PRO 23 HD2 PRO 23 135.607 1.612 -3.790
171 HD3 PRO 23 HD3 PRO 23 134.892 1.403 -5.414
172 H LYS 24 H LYS 24 139.265 -1.971 -6.073
173 HA LYS 24 HA LYS 24 140.347 -2.761 -3.597
174 HB2 LYS 24 HB2 LYS 24 140.967 -3.574 -5.920
175 HB3 LYS 24 HB3 LYS 24 141.896 -2.085 -6.130
176 HG2 LYS 24 HG2 LYS 24 143.167 -2.797 -3.984
177 HG3 LYS 24 HG3 LYS 24 142.360 -4.345 -4.136
178 HD2 LYS 24 HD2 LYS 24 144.493 -4.628 -5.100
179 HD3 LYS 24 HD3 LYS 24 143.385 -4.510 -6.480
180 HE2 LYS 24 HE2 LYS 24 143.993 -2.101 -6.739
181 HE3 LYS 24 HE3 LYS 24 145.048 -2.210 -5.325
182 HZ1 LYS 24 HZ1 LYS 24 145.437 -3.762 -7.835
183 HZ2 LYS 24 HZ2 LYS 24 146.290 -2.435 -7.413
184 HZ3 LYS 24 HZ3 LYS 24 146.439 -3.802 -6.530
185 H GLY 25 H GLY 25 141.810 -1.946 -2.159
186 HA2 GLY 25 HA2 GLY 25 142.113 0.917 -1.853
187 HA3 GLY 25 HA3 GLY 25 142.844 -0.336 -0.855
188 HA PRO 26 HA PRO 26 146.031 1.801 -3.648
189 HB2 PRO 26 HB2 PRO 26 147.218 3.567 -1.943
190 HB3 PRO 26 HB3 PRO 26 145.664 3.922 -2.757
191 HG2 PRO 26 HG2 PRO 26 146.082 2.817 0.039
192 HG3 PRO 26 HG3 PRO 26 145.084 4.227 -0.446
193 HD2 PRO 26 HD2 PRO 26 143.983 1.760 -0.097
194 HD3 PRO 26 HD3 PRO 26 143.427 2.846 -1.402
195 H LYS 27 H LYS 27 148.374 1.629 -3.600
196 HA LYS 27 HA LYS 27 149.403 -0.754 -2.460
197 HB2 LYS 27 HB2 LYS 27 150.245 0.489 -4.503
198 HB3 LYS 27 HB3 LYS 27 150.986 1.672 -3.415
199 HG2 LYS 27 HG2 LYS 27 152.394 -0.168 -2.435
200 HG3 LYS 27 HG3 LYS 27 151.601 -1.316 -3.511
201 HD2 LYS 27 HD2 LYS 27 153.642 -0.911 -4.503
202 HD3 LYS 27 HD3 LYS 27 152.532 0.039 -5.478
203 HE2 LYS 27 HE2 LYS 27 154.076 1.269 -3.146
204 HE3 LYS 27 HE3 LYS 27 154.871 0.979 -4.693
205 HZ1 LYS 27 HZ1 LYS 27 152.510 2.750 -4.325
206 HZ2 LYS 27 HZ2 LYS 27 154.034 3.212 -4.663
207 HZ3 LYS 27 HZ3 LYS 27 153.184 2.382 -5.775
208 H GLY 28 H GLY 28 150.725 -1.231 -0.755
209 HA2 GLY 28 HA2 GLY 28 150.435 0.261 1.661
210 HA3 GLY 28 HA3 GLY 28 151.484 -1.134 1.427
211 HA PRO 29 HA PRO 29 154.015 2.891 1.789
212 HB2 PRO 29 HB2 PRO 29 154.578 3.059 4.454
213 HB3 PRO 29 HB3 PRO 29 153.057 3.687 3.753
214 HG2 PRO 29 HG2 PRO 29 153.517 1.002 5.089
215 HG3 PRO 29 HG3 PRO 29 152.223 2.196 5.434
216 HD2 PRO 29 HD2 PRO 29 151.807 0.069 3.779
217 HD3 PRO 29 HD3 PRO 29 151.072 1.664 3.449
218 H LYS 30 H LYS 30 156.314 3.019 2.149
219 HA LYS 30 HA LYS 30 157.693 0.413 2.081
220 HB2 LYS 30 HB2 LYS 30 158.647 3.268 1.638
221 HB3 LYS 30 HB3 LYS 30 159.708 1.854 1.570
222 HG2 LYS 30 HG2 LYS 30 158.319 0.860 -0.214
223 HG3 LYS 30 HG3 LYS 30 157.274 2.294 -0.208
224 HD2 LYS 30 HD2 LYS 30 159.248 3.709 -0.793
225 HD3 LYS 30 HD3 LYS 30 160.261 2.248 -0.843
226 HE2 LYS 30 HE2 LYS 30 158.783 1.313 -2.632
227 HE3 LYS 30 HE3 LYS 30 157.817 2.796 -2.596
228 HZ1 LYS 30 HZ1 LYS 30 160.701 2.640 -3.318
229 HZ2 LYS 30 HZ2 LYS 30 159.474 2.869 -4.369
230 HZ3 LYS 30 HZ3 LYS 30 159.827 4.025 -3.271
231 H GLY 31 H GLY 31 156.871 2.437 4.625
232 HA2 GLY 31 HA2 GLY 31 158.348 0.973 6.576
233 HA3 GLY 31 HA3 GLY 31 159.187 2.493 6.262
234 HN1 NH2 32 HN1 NH2 32 158.506 2.391 8.756
235 HN2 NH2 32 HN2 NH2 32 157.031 3.269 9.114
236 H1 ACE 33 H1 ACE 33 72.813 2.401 -1.374
237 H2 ACE 33 H2 ACE 33 73.048 0.828 -0.579
238 H3 ACE 33 H3 ACE 33 71.752 1.034 -1.784
239 H ASP 34 H ASP 34 75.204 1.859 -1.630
240 HA ASP 34 HA ASP 34 75.910 0.186 -3.965
241 HB2 ASP 34 HB2 ASP 34 76.034 3.226 -3.847
242 HB3 ASP 34 HB3 ASP 34 77.122 2.317 -4.877
243 HA HYP 35 HA HYP 35 79.496 -0.368 -1.543
244 HB2 HYP 35 HB2 HYP 35 81.540 -0.892 -3.291
245 HB3 HYP 35 HB3 HYP 35 80.152 -1.979 -3.004
246 HG HYP 35 HG HYP 35 80.559 -0.005 -5.267
247 HD22 HYP 35 HD22 HYP 35 78.331 0.551 -5.325
248 HD23 HYP 35 HD23 HYP 35 77.797 -1.028 -4.684
249 HD1 HYP 35 HD1 HYP 35 80.871 -2.275 -5.621
250 H GLY 36 H GLY 36 81.677 0.339 -0.908
251 HA2 GLY 36 HA2 GLY 36 81.865 3.279 -0.989
252 HA3 GLY 36 HA3 GLY 36 82.766 2.189 0.054
253 H ASP 37 H ASP 37 84.023 4.355 -1.081
254 HA ASP 37 HA ASP 37 85.351 3.724 -3.555
255 HB2 ASP 37 HB2 ASP 37 85.681 5.853 -1.411
256 HB3 ASP 37 HB3 ASP 37 86.705 5.770 -2.829
257 HA HYP 38 HA HYP 38 88.989 1.517 -2.119
258 HB2 HYP 38 HB2 HYP 38 90.583 3.358 -3.883
259 HB3 HYP 38 HB3 HYP 38 90.602 1.576 -3.817
260 HG HYP 38 HG HYP 38 89.338 2.965 -5.813
261 HD22 HYP 38 HD22 HYP 38 87.910 4.331 -4.562
262 HD23 HYP 38 HD23 HYP 38 86.839 2.915 -4.763
263 HD1 HYP 38 HD1 HYP 38 89.238 0.704 -5.723
264 H GLY 39 H GLY 39 90.641 1.668 -0.635
265 HA2 GLY 39 HA2 GLY 39 91.140 4.130 0.835
266 HA3 GLY 39 HA3 GLY 39 91.915 2.571 1.069
267 H ASP 40 H ASP 40 93.378 4.875 1.332
268 HA ASP 40 HA ASP 40 94.694 5.674 -1.083
269 HB2 ASP 40 HB2 ASP 40 95.262 6.156 1.871
270 HB3 ASP 40 HB3 ASP 40 96.047 7.001 0.550
271 HA HYP 41 HA HYP 41 98.298 2.951 -1.228
272 HB2 HYP 41 HB2 HYP 41 99.881 5.468 -1.651
273 HB3 HYP 41 HB3 HYP 41 99.909 3.955 -2.595
274 HG HYP 41 HG HYP 41 98.622 6.233 -3.448
275 HD22 HYP 41 HD22 HYP 41 97.125 6.624 -1.715
276 HD23 HYP 41 HD23 HYP 41 96.120 5.479 -2.648
277 HD1 HYP 41 HD1 HYP 41 98.568 4.366 -4.698
278 H GLY 42 H GLY 42 100.063 2.286 0.017
279 HA2 GLY 42 HA2 GLY 42 100.346 3.390 2.704
280 HA3 GLY 42 HA3 GLY 42 101.166 1.990 2.036
281 H ASP 43 H ASP 43 102.596 3.489 3.704
282 HA ASP 43 HA ASP 43 104.048 5.674 2.568
283 HB2 ASP 43 HB2 ASP 43 104.406 3.871 4.987
284 HB3 ASP 43 HB3 ASP 43 105.552 5.140 4.590
285 HA HYP 44 HA HYP 44 107.266 3.535 0.270
286 HB2 HYP 44 HB2 HYP 44 109.155 5.587 1.390
287 HB3 HYP 44 HB3 HYP 44 108.913 5.094 -0.308
288 HG HYP 44 HG HYP 44 107.908 7.439 0.677
289 HD22 HYP 44 HD22 HYP 44 106.724 6.622 2.537
290 HD23 HYP 44 HD23 HYP 44 105.426 6.588 1.308
291 HD1 HYP 44 HD1 HYP 44 107.414 6.821 -1.431
292 H GLY 45 H GLY 45 108.958 2.060 0.561
293 HA2 GLY 45 HA2 GLY 45 109.756 1.244 3.258
294 HA3 GLY 45 HA3 GLY 45 110.371 0.614 1.740
295 H ASP 46 H ASP 46 111.986 1.148 3.963
296 HA ASP 46 HA ASP 46 113.425 3.653 3.540
297 HB2 ASP 46 HB2 ASP 46 113.533 1.385 5.528
298 HB3 ASP 46 HB3 ASP 46 114.873 2.507 5.403
299 HA HYP 47 HA HYP 47 116.697 2.466 0.865
300 HB2 HYP 47 HB2 HYP 47 118.696 3.290 2.947
301 HB3 HYP 47 HB3 HYP 47 118.594 3.778 1.234
302 HG HYP 47 HG HYP 47 117.788 5.391 3.316
303 HD22 HYP 47 HD22 HYP 47 116.159 4.108 4.341
304 HD23 HYP 47 HD23 HYP 47 115.118 4.830 3.084
305 HD1 HYP 47 HD1 HYP 47 117.624 6.076 1.174
306 H GLY 48 H GLY 48 118.182 0.864 0.360
307 HA2 GLY 48 HA2 GLY 48 118.515 -1.471 2.026
308 HA3 GLY 48 HA3 GLY 48 119.346 -1.125 0.536
309 H ASP 49 H ASP 49 120.531 -2.461 2.626
310 HA ASP 49 HA ASP 49 122.104 -0.828 4.346
311 HB2 ASP 49 HB2 ASP 49 122.353 -3.694 3.353
312 HB3 ASP 49 HB3 ASP 49 123.385 -2.986 4.583
313 HA HYP 50 HA HYP 50 125.447 0.508 1.664
314 HB2 HYP 50 HB2 HYP 50 127.293 -0.315 3.882
315 HB3 HYP 50 HB3 HYP 50 127.221 1.231 2.993
316 HG HYP 50 HG HYP 50 126.225 0.923 5.540
317 HD22 HYP 50 HD22 HYP 50 124.670 -0.786 5.246
318 HD23 HYP 50 HD23 HYP 50 123.615 0.586 4.799
319 HD1 HYP 50 HD1 HYP 50 126.065 2.898 4.456
320 H GLY 51 H GLY 51 126.903 -0.349 0.221
321 HA2 GLY 51 HA2 GLY 51 127.297 -3.213 -0.043
322 HA3 GLY 51 HA3 GLY 51 128.134 -1.950 -0.940
323 H ASP 52 H ASP 52 129.460 -4.264 -0.088
324 HA ASP 52 HA ASP 52 130.795 -3.868 2.414
325 HB2 ASP 52 HB2 ASP 52 131.061 -5.778 0.104
326 HB3 ASP 52 HB3 ASP 52 132.307 -5.714 1.340
327 HA HYP 53 HA HYP 53 134.317 -1.282 1.284
328 HB2 HYP 53 HB2 HYP 53 135.860 -3.202 3.004
329 HB3 HYP 53 HB3 HYP 53 135.856 -1.419 3.043
330 HG HYP 53 HG HYP 53 134.529 -2.934 4.898
331 HD22 HYP 53 HD22 HYP 53 133.164 -4.239 3.514
332 HD23 HYP 53 HD23 HYP 53 132.069 -2.844 3.732
333 HD1 HYP 53 HD1 HYP 53 133.102 -1.179 5.145
334 H GLY 54 H GLY 54 135.930 -1.359 -0.242
335 HA2 GLY 54 HA2 GLY 54 136.306 -3.536 -2.002
336 HA3 GLY 54 HA3 GLY 54 137.350 -2.141 -1.856
337 H ASP 55 H ASP 55 138.352 -4.509 -2.638
338 HA ASP 55 HA ASP 55 139.433 -6.140 -0.565
339 HB2 ASP 55 HB2 ASP 55 140.004 -5.721 -3.508
340 HB3 ASP 55 HB3 ASP 55 140.995 -6.801 -2.530
341 HA HYP 56 HA HYP 56 142.943 -3.770 0.891
342 HB2 HYP 56 HB2 HYP 56 144.490 -6.336 0.752
343 HB3 HYP 56 HB3 HYP 56 144.342 -5.184 2.107
344 HG HYP 56 HG HYP 56 142.987 -7.569 2.032
345 HD22 HYP 56 HD22 HYP 56 141.799 -7.376 0.027
346 HD23 HYP 56 HD23 HYP 56 140.623 -6.564 1.100
347 HD1 HYP 56 HD1 HYP 56 141.433 -6.574 3.367
348 H GLY 57 H GLY 57 144.743 -2.722 0.128
349 HA2 GLY 57 HA2 GLY 57 145.606 -2.892 -2.613
350 HA3 GLY 57 HA3 GLY 57 146.388 -2.010 -1.320
351 H ASP 58 H ASP 58 147.893 -3.109 -3.286
352 HA ASP 58 HA ASP 58 149.040 -5.656 -2.490
353 HB2 ASP 58 HB2 ASP 58 149.759 -3.505 -4.525
354 HB3 ASP 58 HB3 ASP 58 150.644 -5.006 -4.330
355 HA HYP 59 HA HYP 59 152.026 -4.294 0.433
356 HB2 HYP 59 HB2 HYP 59 154.218 -5.667 -1.087
357 HB3 HYP 59 HB3 HYP 59 153.765 -5.833 0.630
358 HG HYP 59 HG HYP 59 153.128 -7.700 -1.294
359 HD22 HYP 59 HD22 HYP 59 151.850 -6.462 -2.785
360 HD23 HYP 59 HD23 HYP 59 150.542 -6.865 -1.638
361 HD1 HYP 59 HD1 HYP 59 152.540 -7.975 0.870
362 H GLY 60 H GLY 60 153.688 -2.822 0.918
363 HA2 GLY 60 HA2 GLY 60 154.746 -0.993 -1.088
364 HA3 GLY 60 HA3 GLY 60 155.264 -1.135 0.587
365 H ASP 61 H ASP 61 157.124 -0.666 -1.302
366 HA ASP 61 HA ASP 61 158.661 -3.213 -1.722
367 HB2 ASP 61 HB2 ASP 61 157.106 -2.049 -3.738
368 HB3 ASP 61 HB3 ASP 61 158.338 -0.857 -3.704
369 HA HYP 62 HA HYP 62 161.100 0.067 0.347
370 HB2 HYP 62 HB2 HYP 62 162.428 -2.212 1.762
371 HB3 HYP 62 HB3 HYP 62 161.730 -0.714 2.439
372 HG HYP 62 HG HYP 62 160.453 -3.095 2.686
373 HD22 HYP 62 HD22 HYP 62 160.505 -3.730 0.377
374 HD23 HYP 62 HD23 HYP 62 158.876 -3.027 0.515
375 HD1 HYP 62 HD1 HYP 62 159.585 -0.863 3.112
376 H GLY 63 H GLY 63 162.271 -2.655 -1.480
377 HA2 GLY 63 HA2 GLY 63 164.445 -1.337 -2.704
378 HA3 GLY 63 HA3 GLY 63 165.096 -2.272 -1.355
379 HN1 NH2 64 HN1 NH2 64 166.135 -3.113 -3.586
380 HN2 NH2 64 HN2 NH2 64 165.358 -4.554 -4.213
381 H1 ACE 65 H1 ACE 65 77.373 -3.855 4.025
382 H2 ACE 65 H2 ACE 65 78.806 -3.253 4.894
383 H3 ACE 65 H3 ACE 65 78.815 -4.884 4.200
384 HA PRO 66 HA PRO 66 78.872 -1.583 0.498
385 HB2 PRO 66 HB2 PRO 66 80.134 0.614 2.139
386 HB3 PRO 66 HB3 PRO 66 79.117 0.741 0.672
387 HG2 PRO 66 HG3 PRO 66 78.005 1.134 3.106
388 HG3 PRO 66 HG2 PRO 66 77.148 0.139 1.885
389 HD2 PRO 66 HD2 PRO 66 78.803 -0.795 4.239
390 HD3 PRO 66 HD3 PRO 66 77.226 -1.404 3.649
391 HA HYP 67 HA HYP 67 82.785 -3.627 1.179
392 HB2 HYP 67 HB2 HYP 67 83.296 -3.944 3.380
393 HB3 HYP 67 HB3 HYP 67 84.793 -3.065 2.969
394 HG HYP 67 HG HYP 67 83.158 -2.196 4.961
395 HD22 HYP 67 HD22 HYP 67 81.596 -0.500 3.509
396 HD23 HYP 67 HD23 HYP 67 81.110 -2.174 3.889
397 HD1 HYP 67 HD1 HYP 67 84.897 -0.914 4.281
398 H GLY 68 H GLY 68 83.884 -0.233 1.667
399 HA2 GLY 68 HA2 GLY 68 85.148 0.116 -0.867
400 HA3 GLY 68 HA3 GLY 68 85.494 1.037 0.594
401 HA PRO 69 HA PRO 69 88.341 -2.811 -0.022
402 HB2 PRO 69 HB2 PRO 69 89.910 -2.649 -2.277
403 HB3 PRO 69 HB3 PRO 69 88.263 -3.349 -2.247
404 HG2 PRO 69 HG2 PRO 69 89.081 -0.542 -3.031
405 HG3 PRO 69 HG3 PRO 69 88.002 -1.664 -3.918
406 HD2 PRO 69 HD2 PRO 69 86.999 0.280 -2.295
407 HD3 PRO 69 HD3 PRO 69 86.235 -1.334 -2.387
408 HA HYP 70 HA HYP 70 91.977 -0.795 1.788
409 HB2 HYP 70 HB2 HYP 70 93.538 -3.110 0.688
410 HB3 HYP 70 HB3 HYP 70 93.546 -2.436 2.338
411 HG HYP 70 HG HYP 70 92.235 -4.762 1.665
412 HD22 HYP 70 HD22 HYP 70 90.752 -4.044 0.026
413 HD23 HYP 70 HD23 HYP 70 89.754 -3.632 1.451
414 HD1 HYP 70 HD1 HYP 70 92.199 -3.931 3.776
415 H GLY 71 H GLY 71 93.693 0.506 1.162
416 HA2 GLY 71 HA2 GLY 71 94.238 0.958 -1.680
417 HA3 GLY 71 HA3 GLY 71 95.030 1.734 -0.316
418 HA PRO 72 HA PRO 72 97.583 -1.765 -2.263
419 HB2 PRO 72 HB2 PRO 72 99.328 -0.463 -3.932
420 HB3 PRO 72 HB3 PRO 72 97.674 -0.946 -4.416
421 HG2 PRO 72 HG2 PRO 72 98.597 1.755 -3.390
422 HG3 PRO 72 HG3 PRO 72 97.618 1.408 -4.853
423 HD2 PRO 72 HD2 PRO 72 96.456 2.144 -2.499
424 HD3 PRO 72 HD3 PRO 72 95.697 0.926 -3.567
425 HA HYP 73 HA HYP 73 101.118 -1.176 0.551
426 HB2 HYP 73 HB2 HYP 73 102.753 -2.473 -1.605
427 HB3 HYP 73 HB3 HYP 73 102.685 -2.859 0.134
428 HG HYP 73 HG HYP 73 101.449 -4.391 -1.771
429 HD22 HYP 73 HD22 HYP 73 100.076 -2.813 -2.819
430 HD23 HYP 73 HD23 HYP 73 98.961 -3.306 -1.511
431 HD1 HYP 73 HD1 HYP 73 100.001 -5.026 -0.149
432 H GLY 74 H GLY 74 102.875 0.228 0.806
433 HA2 GLY 74 HA2 GLY 74 103.353 2.314 -1.144
434 HA3 GLY 74 HA3 GLY 74 104.290 2.011 0.312
435 HA PRO 75 HA PRO 75 106.498 0.618 -3.662
436 HB2 PRO 75 HB2 PRO 75 108.254 2.675 -4.145
437 HB3 PRO 75 HB3 PRO 75 106.563 2.661 -4.730
438 HG2 PRO 75 HG2 PRO 75 107.653 3.984 -2.225
439 HG3 PRO 75 HG3 PRO 75 106.610 4.710 -3.491
440 HD2 PRO 75 HD2 PRO 75 105.556 3.721 -1.186
441 HD3 PRO 75 HD3 PRO 75 104.714 3.509 -2.748
442 HA HYP 76 HA HYP 76 110.185 -0.865 -1.445
443 HB2 HYP 76 HB2 HYP 76 111.653 -0.389 -4.023
444 HB3 HYP 76 HB3 HYP 76 111.632 -1.849 -3.001
445 HG HYP 76 HG HYP 76 110.234 -1.641 -5.362
446 HD22 HYP 76 HD22 HYP 76 108.875 0.201 -4.955
447 HD23 HYP 76 HD23 HYP 76 107.820 -1.046 -4.229
448 HD1 HYP 76 HD1 HYP 76 110.149 -3.518 -4.101
449 H GLY 77 H GLY 77 112.029 0.019 -0.437
450 HA2 GLY 77 HA2 GLY 77 112.576 2.866 -0.706
451 HA3 GLY 77 HA3 GLY 77 113.509 1.716 0.241
452 HA PRO 78 HA PRO 78 115.671 2.852 -3.812
453 HB2 PRO 78 HB2 PRO 78 117.613 4.572 -2.533
454 HB3 PRO 78 HB3 PRO 78 116.435 4.967 -3.812
455 HG2 PRO 78 HG2 PRO 78 116.331 5.820 -1.096
456 HG3 PRO 78 HG3 PRO 78 115.028 5.922 -2.304
457 HD2 PRO 78 HD2 PRO 78 115.344 3.968 -0.093
458 HD3 PRO 78 HD3 PRO 78 113.875 4.530 -0.935
459 HA HYP 79 HA HYP 79 119.047 -0.059 -3.086
460 HB2 HYP 79 HB2 HYP 79 120.765 1.791 -4.713
461 HB3 HYP 79 HB3 HYP 79 120.545 0.029 -4.880
462 HG HYP 79 HG HYP 79 119.362 1.843 -6.562
463 HD22 HYP 79 HD22 HYP 79 118.148 3.162 -5.066
464 HD23 HYP 79 HD23 HYP 79 116.931 1.879 -5.331
465 HD1 HYP 79 HD1 HYP 79 117.787 0.266 -6.940
466 H GLY 80 H GLY 80 120.793 -0.294 -1.678
467 HA2 GLY 80 HA2 GLY 80 121.404 1.783 0.183
468 HA3 GLY 80 HA3 GLY 80 122.275 0.259 0.023
469 HA PRO 81 HA PRO 81 124.788 3.918 -1.645
470 HB2 PRO 81 HB2 PRO 81 126.475 4.065 0.691
471 HB3 PRO 81 HB3 PRO 81 125.487 5.343 -0.064
472 HG2 PRO 81 HG2 PRO 81 124.958 4.024 2.409
473 HG3 PRO 81 HG3 PRO 81 123.830 5.027 1.469
474 HD2 PRO 81 HD2 PRO 81 123.905 2.077 1.676
475 HD3 PRO 81 HD3 PRO 81 122.562 3.175 1.270
476 HA HYP 82 HA HYP 82 128.020 0.985 -2.894
477 HB2 HYP 82 HB2 HYP 82 129.778 3.412 -3.078
478 HB3 HYP 82 HB3 HYP 82 129.522 2.120 -4.279
479 HG HYP 82 HG HYP 82 128.393 4.607 -4.505
480 HD22 HYP 82 HD22 HYP 82 127.183 4.767 -2.513
481 HD23 HYP 82 HD23 HYP 82 125.954 3.931 -3.510
482 HD1 HYP 82 HD1 HYP 82 126.798 3.625 -5.764
483 H GLY 83 H GLY 83 129.766 -0.068 -1.935
484 HA2 GLY 83 HA2 GLY 83 130.583 0.626 0.765
485 HA3 GLY 83 HA3 GLY 83 131.293 -0.619 -0.257
486 HA PRO 84 HA PRO 84 133.924 3.375 -0.184
487 HB2 PRO 84 HB2 PRO 84 135.637 3.054 1.933
488 HB3 PRO 84 HB3 PRO 84 134.004 3.767 2.100
489 HG2 PRO 84 HG2 PRO 84 134.842 0.893 2.598
490 HG3 PRO 84 HG3 PRO 84 133.895 1.968 3.677
491 HD2 PRO 84 HD2 PRO 84 132.682 0.169 2.024
492 HD3 PRO 84 HD3 PRO 84 131.968 1.779 2.329
493 HA HYP 85 HA HYP 85 137.486 1.349 -2.163
494 HB2 HYP 85 HB2 HYP 85 139.172 3.347 -0.687
495 HB3 HYP 85 HB3 HYP 85 139.210 2.906 -2.416
496 HG HYP 85 HG HYP 85 138.058 5.228 -1.508
497 HD22 HYP 85 HD22 HYP 85 136.516 4.396 0.030
498 HD23 HYP 85 HD23 HYP 85 135.485 4.331 -1.428
499 HD1 HYP 85 HD1 HYP 85 137.982 4.727 -3.695
500 H GLY 86 H GLY 86 138.962 -0.245 -1.583
501 HA2 GLY 86 HA2 GLY 86 138.782 -1.382 1.008
502 HA3 GLY 86 HA3 GLY 86 139.952 -1.848 -0.227
503 HA PRO 87 HA PRO 87 141.999 0.293 3.432
504 HB2 PRO 87 HB2 PRO 87 143.318 -2.133 4.276
505 HB3 PRO 87 HB3 PRO 87 142.189 -1.094 5.185
506 HG2 PRO 87 HG2 PRO 87 141.640 -3.694 4.157
507 HG3 PRO 87 HG3 PRO 87 140.459 -2.511 4.766
508 HD2 PRO 87 HD2 PRO 87 141.096 -3.193 1.951
509 HD3 PRO 87 HD3 PRO 87 139.605 -2.521 2.665
510 HA HYP 88 HA HYP 88 145.872 0.636 1.093
511 HB2 HYP 88 HB2 HYP 88 147.167 0.901 3.787
512 HB3 HYP 88 HB3 HYP 88 147.365 1.927 2.341
513 HG HYP 88 HG HYP 88 145.852 2.687 4.497
514 HD22 HYP 88 HD22 HYP 88 144.324 0.921 4.642
515 HD23 HYP 88 HD23 HYP 88 143.440 1.954 3.477
516 HD1 HYP 88 HD1 HYP 88 144.633 3.952 3.033
517 H GLY 89 H GLY 89 147.585 -0.716 0.533
518 HA2 GLY 89 HA2 GLY 89 147.487 -3.432 1.356
519 HA3 GLY 89 HA3 GLY 89 148.784 -2.701 0.408
520 HA PRO 90 HA PRO 90 150.125 -3.889 4.757
521 HB2 PRO 90 HB2 PRO 90 151.882 -5.944 3.690
522 HB3 PRO 90 HB3 PRO 90 150.633 -6.074 4.957
523 HG2 PRO 90 HG2 PRO 90 150.406 -7.129 2.357
524 HG3 PRO 90 HG3 PRO 90 149.049 -6.712 3.419
525 HD2 PRO 90 HD2 PRO 90 150.091 -5.160 1.099
526 HD3 PRO 90 HD3 PRO 90 148.432 -5.318 1.739
527 HA HYP 91 HA HYP 91 153.828 -1.327 4.243
528 HB2 HYP 91 HB2 HYP 91 154.791 -2.742 6.707
529 HB3 HYP 91 HB3 HYP 91 154.743 -0.993 6.362
530 HG HYP 91 HG HYP 91 152.934 -2.254 8.016
531 HD22 HYP 91 HD22 HYP 91 151.973 -3.818 6.589
532 HD23 HYP 91 HD23 HYP 91 150.942 -2.414 6.170
533 HD1 HYP 91 HD1 HYP 91 152.778 -0.042 7.661
534 H GLY 92 H GLY 92 155.757 -1.694 3.172
535 HA2 GLY 92 HA2 GLY 92 156.101 -4.228 1.997
536 HA3 GLY 92 HA3 GLY 92 157.253 -2.906 1.892
537 HA PRO 93 HA PRO 93 158.685 -6.450 4.827
538 HB2 PRO 93 HB2 PRO 93 159.916 -8.281 3.203
539 HB3 PRO 93 HB3 PRO 93 158.177 -8.325 3.621
540 HG2 PRO 93 HG2 PRO 93 159.460 -7.200 1.115
541 HG3 PRO 93 HG3 PRO 93 158.036 -8.279 1.247
542 HD2 PRO 93 HD2 PRO 93 157.798 -5.572 0.948
543 HD3 PRO 93 HD3 PRO 93 156.645 -6.516 1.940
544 HA HYP 94 HA HYP 94 162.506 -4.030 4.759
545 HB2 HYP 94 HB2 HYP 94 163.380 -6.287 6.580
546 HB3 HYP 94 HB3 HYP 94 163.713 -4.536 6.731
547 HG HYP 94 HG HYP 94 161.719 -5.708 8.158
548 HD22 HYP 94 HD22 HYP 94 160.560 -6.859 6.482
549 HD23 HYP 94 HD23 HYP 94 159.674 -5.309 6.396
550 HD1 HYP 94 HD1 HYP 94 161.966 -3.442 8.123
551 H GLY 95 H GLY 95 164.061 -3.989 3.261
552 HA2 GLY 95 HA2 GLY 95 165.903 -4.737 2.002
553 HA3 GLY 95 HA3 GLY 95 165.526 -6.412 2.393
554 HN1 NH2 96 HN1 NH2 96 162.539 -5.433 1.425
555 HN2 NH2 96 HN2 NH2 96 162.698 -5.675 -0.305
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 77.943 16.033 -1.650
2 H2 ACE 1 H2 ACE 1 76.439 15.282 -2.222
3 H3 ACE 1 H3 ACE 1 76.412 16.366 -0.809
4 HA PRO 2 HA PRO 2 76.565 12.710 1.763
5 HB2 PRO 2 HB2 PRO 2 74.706 11.187 -0.072
6 HB3 PRO 2 HB3 PRO 2 74.649 11.339 1.712
7 HG2 PRO 2 HG2 PRO 2 72.994 12.822 0.168
8 HG3 PRO 2 HG3 PRO 2 73.830 13.582 1.563
9 HD2 PRO 2 HD2 PRO 2 74.563 13.716 -1.370
10 HD3 PRO 2 HD3 PRO 2 74.543 15.021 -0.146
11 H LYS 3 H LYS 3 77.700 10.807 2.064
12 HA LYS 3 HA LYS 3 78.528 9.068 -0.143
13 HB2 LYS 3 HB2 LYS 3 80.961 9.366 0.262
14 HB3 LYS 3 HB3 LYS 3 80.187 10.780 -0.438
15 HG2 LYS 3 HG2 LYS 3 80.186 11.922 1.741
16 HG3 LYS 3 HG3 LYS 3 80.891 10.491 2.520
17 HD2 LYS 3 HD2 LYS 3 82.910 10.676 1.183
18 HD3 LYS 3 HD3 LYS 3 82.236 11.997 0.223
19 HE2 LYS 3 HE2 LYS 3 82.670 12.163 3.241
20 HE3 LYS 3 HE3 LYS 3 83.902 12.619 2.061
21 HZ1 LYS 3 HZ1 LYS 3 81.222 13.892 2.273
22 HZ2 LYS 3 HZ2 LYS 3 82.639 14.554 2.740
23 HZ3 LYS 3 HZ3 LYS 3 82.358 14.275 1.158
24 H GLY 4 H GLY 4 79.793 7.253 0.518
25 HA2 GLY 4 HA2 GLY 4 79.348 6.324 3.338
26 HA3 GLY 4 HA3 GLY 4 79.231 5.322 1.893
27 HA PRO 5 HA PRO 5 83.381 4.927 3.933
28 HB2 PRO 5 HB2 PRO 5 83.756 2.213 3.625
29 HB3 PRO 5 HB3 PRO 5 82.806 2.976 4.929
30 HG2 PRO 5 HG2 PRO 5 81.766 1.848 2.310
31 HG3 PRO 5 HG3 PRO 5 81.164 1.529 3.970
32 HD2 PRO 5 HD2 PRO 5 79.975 3.351 2.382
33 HD3 PRO 5 HD3 PRO 5 80.214 3.706 4.117
34 H LYS 6 H LYS 6 84.579 6.096 2.504
35 HA LYS 6 HA LYS 6 85.774 5.159 0.038
36 HB2 LYS 6 HB2 LYS 6 85.937 7.532 0.809
37 HB3 LYS 6 HB3 LYS 6 86.726 7.012 2.294
38 HG2 LYS 6 HG2 LYS 6 88.716 6.330 1.126
39 HG3 LYS 6 HG3 LYS 6 87.960 6.587 -0.453
40 HD2 LYS 6 HD2 LYS 6 87.836 8.974 -0.090
41 HD3 LYS 6 HD3 LYS 6 88.376 8.822 1.587
42 HE2 LYS 6 HE2 LYS 6 90.067 7.926 -0.793
43 HE3 LYS 6 HE3 LYS 6 90.111 9.575 -0.163
44 HZ1 LYS 6 HZ1 LYS 6 90.783 7.162 1.443
45 HZ2 LYS 6 HZ2 LYS 6 91.868 8.229 0.821
46 HZ3 LYS 6 HZ3 LYS 6 90.824 8.711 1.982
47 H GLY 7 H GLY 7 87.644 4.008 -0.334
48 HA2 GLY 7 HA2 GLY 7 88.169 1.810 1.401
49 HA3 GLY 7 HA3 GLY 7 89.110 2.232 -0.025
50 HA PRO 8 HA PRO 8 91.465 3.336 4.009
51 HB2 PRO 8 HB2 PRO 8 92.766 1.027 4.713
52 HB3 PRO 8 HB3 PRO 8 91.112 1.427 5.265
53 HG2 PRO 8 HG2 PRO 8 91.909 -0.301 2.899
54 HG3 PRO 8 HG3 PRO 8 90.768 -0.707 4.223
55 HD2 PRO 8 HD2 PRO 8 89.851 0.249 1.863
56 HD3 PRO 8 HD3 PRO 8 89.136 0.799 3.399
57 H LYS 9 H LYS 9 93.686 3.703 4.185
58 HA LYS 9 HA LYS 9 95.300 3.899 1.809
59 HB2 LYS 9 HB2 LYS 9 95.410 5.438 3.777
60 HB3 LYS 9 HB3 LYS 9 95.964 4.101 4.786
61 HG2 LYS 9 HG2 LYS 9 98.044 3.940 3.503
62 HG3 LYS 9 HG3 LYS 9 97.497 5.214 2.394
63 HD2 LYS 9 HD2 LYS 9 97.519 6.856 4.191
64 HD3 LYS 9 HD3 LYS 9 97.803 5.592 5.409
65 HE2 LYS 9 HE2 LYS 9 99.977 5.049 4.361
66 HE3 LYS 9 HE3 LYS 9 99.728 6.321 3.154
67 HZ1 LYS 9 HZ1 LYS 9 99.873 6.808 6.089
68 HZ2 LYS 9 HZ2 LYS 9 101.129 7.000 5.060
69 HZ3 LYS 9 HZ3 LYS 9 99.798 7.961 4.924
70 H GLY 10 H GLY 10 97.044 2.737 1.102
71 HA2 GLY 10 HA2 GLY 10 97.177 -0.090 1.767
72 HA3 GLY 10 HA3 GLY 10 98.176 0.763 0.603
73 HA PRO 11 HA PRO 11 100.602 -0.285 4.559
74 HB2 PRO 11 HB2 PRO 11 101.986 -2.525 3.835
75 HB3 PRO 11 HB3 PRO 11 100.304 -2.587 4.443
76 HG2 PRO 11 HG2 PRO 11 101.231 -2.560 1.550
77 HG3 PRO 11 HG3 PRO 11 100.100 -3.714 2.330
78 HD2 PRO 11 HD2 PRO 11 99.180 -1.569 0.936
79 HD3 PRO 11 HD3 PRO 11 98.381 -2.093 2.446
80 H LYS 12 H LYS 12 102.875 -0.038 4.915
81 HA LYS 12 HA LYS 12 104.330 1.656 3.155
82 HB2 LYS 12 HB2 LYS 12 104.647 1.389 5.654
83 HB3 LYS 12 HB3 LYS 12 105.445 -0.159 5.333
84 HG2 LYS 12 HG2 LYS 12 107.084 1.132 3.866
85 HG3 LYS 12 HG3 LYS 12 106.326 2.616 4.408
86 HD2 LYS 12 HD2 LYS 12 108.316 2.311 5.682
87 HD3 LYS 12 HD3 LYS 12 106.962 1.987 6.780
88 HE2 LYS 12 HE2 LYS 12 107.277 -0.444 6.480
89 HE3 LYS 12 HE3 LYS 12 108.530 -0.157 5.260
90 HZ1 LYS 12 HZ1 LYS 12 108.765 0.697 8.104
91 HZ2 LYS 12 HZ2 LYS 12 109.442 -0.657 7.490
92 HZ3 LYS 12 HZ3 LYS 12 109.946 0.801 6.959
93 H GLY 13 H GLY 13 105.890 1.325 1.640
94 HA2 GLY 13 HA2 GLY 13 105.960 -1.125 0.144
95 HA3 GLY 13 HA3 GLY 13 106.991 0.281 -0.104
96 HA PRO 14 HA PRO 14 109.371 -3.390 1.729
97 HB2 PRO 14 HB2 PRO 14 110.666 -4.397 -0.456
98 HB3 PRO 14 HB3 PRO 14 108.983 -4.839 -0.038
99 HG2 PRO 14 HG2 PRO 14 109.914 -2.727 -2.006
100 HG3 PRO 14 HG3 PRO 14 108.716 -4.033 -2.280
101 HD2 PRO 14 HD2 PRO 14 107.932 -1.511 -1.613
102 HD3 PRO 14 HD3 PRO 14 107.086 -2.944 -0.964
103 H LYS 15 H LYS 15 111.506 -3.362 2.353
104 HA LYS 15 HA LYS 15 113.091 -1.008 2.194
105 HB2 LYS 15 HB2 LYS 15 113.209 -2.743 3.989
106 HB3 LYS 15 HB3 LYS 15 113.867 -3.894 2.822
107 HG2 LYS 15 HG2 LYS 15 115.888 -2.514 2.551
108 HG3 LYS 15 HG3 LYS 15 115.229 -1.292 3.660
109 HD2 LYS 15 HD2 LYS 15 115.316 -2.841 5.527
110 HD3 LYS 15 HD3 LYS 15 115.606 -4.209 4.448
111 HE2 LYS 15 HE2 LYS 15 117.678 -3.735 5.478
112 HE3 LYS 15 HE3 LYS 15 117.804 -3.247 3.790
113 HZ1 LYS 15 HZ1 LYS 15 117.345 -1.397 6.078
114 HZ2 LYS 15 HZ2 LYS 15 118.774 -1.653 5.316
115 HZ3 LYS 15 HZ3 LYS 15 117.532 -0.918 4.508
116 H GLY 16 H GLY 16 114.783 -0.367 0.937
117 HA2 GLY 16 HA2 GLY 16 114.943 -1.302 -1.770
118 HA3 GLY 16 HA3 GLY 16 115.989 -0.103 -1.020
119 HA PRO 17 HA PRO 17 118.216 -4.254 -1.665
120 HB2 PRO 17 HB2 PRO 17 119.453 -3.992 -4.077
121 HB3 PRO 17 HB3 PRO 17 117.744 -4.498 -3.923
122 HG2 PRO 17 HG2 PRO 17 118.812 -1.715 -4.484
123 HG3 PRO 17 HG3 PRO 17 117.532 -2.605 -5.370
124 HD2 PRO 17 HD2 PRO 17 116.956 -0.777 -3.413
125 HD3 PRO 17 HD3 PRO 17 115.963 -2.246 -3.657
126 H LYS 18 H LYS 18 120.440 -4.656 -1.370
127 HA LYS 18 HA LYS 18 121.986 -2.676 -0.037
128 HB2 LYS 18 HB2 LYS 18 122.096 -5.159 0.256
129 HB3 LYS 18 HB3 LYS 18 122.897 -5.292 -1.318
130 HG2 LYS 18 HG2 LYS 18 124.778 -3.937 -0.478
131 HG3 LYS 18 HG3 LYS 18 123.962 -3.740 1.089
132 HD2 LYS 18 HD2 LYS 18 124.072 -6.189 1.450
133 HD3 LYS 18 HD3 LYS 18 124.843 -6.390 -0.142
134 HE2 LYS 18 HE2 LYS 18 126.713 -4.907 0.610
135 HE3 LYS 18 HE3 LYS 18 125.975 -4.799 2.213
136 HZ1 LYS 18 HZ1 LYS 18 126.842 -7.345 0.939
137 HZ2 LYS 18 HZ2 LYS 18 127.749 -6.531 2.003
138 HZ3 LYS 18 HZ3 LYS 18 126.308 -7.180 2.486
139 H GLY 19 H GLY 19 123.782 -1.482 -0.581
140 HA2 GLY 19 HA2 GLY 19 123.888 -0.386 -3.229
141 HA3 GLY 19 HA3 GLY 19 124.995 -0.027 -1.910
142 HA PRO 20 HA PRO 20 127.085 -2.598 -5.309
143 HB2 PRO 20 HB2 PRO 20 128.455 -0.706 -6.728
144 HB3 PRO 20 HB3 PRO 20 126.737 -1.098 -7.035
145 HG2 PRO 20 HG2 PRO 20 127.854 1.171 -5.359
146 HG3 PRO 20 HG3 PRO 20 126.605 1.257 -6.641
147 HD2 PRO 20 HD2 PRO 20 125.935 1.107 -4.000
148 HD3 PRO 20 HD3 PRO 20 124.972 0.280 -5.255
149 H LYS 21 H LYS 21 129.171 -3.358 -5.213
150 HA LYS 21 HA LYS 21 130.803 -2.855 -2.920
151 HB2 LYS 21 HB2 LYS 21 130.654 -5.037 -4.131
152 HB3 LYS 21 HB3 LYS 21 131.348 -4.292 -5.567
153 HG2 LYS 21 HG2 LYS 21 133.483 -3.997 -4.514
154 HG3 LYS 21 HG3 LYS 21 132.855 -4.468 -2.926
155 HD2 LYS 21 HD2 LYS 21 132.425 -6.736 -3.700
156 HD3 LYS 21 HD3 LYS 21 132.868 -6.319 -5.360
157 HE2 LYS 21 HE2 LYS 21 134.776 -6.150 -2.977
158 HE3 LYS 21 HE3 LYS 21 134.628 -7.563 -4.028
159 HZ1 LYS 21 HZ1 LYS 21 135.472 -4.861 -4.946
160 HZ2 LYS 21 HZ2 LYS 21 136.444 -6.176 -4.778
161 HZ3 LYS 21 HZ3 LYS 21 135.276 -6.168 -5.918
162 H GLY 22 H GLY 22 132.761 -1.891 -2.603
163 HA2 GLY 22 HA2 GLY 22 133.275 0.505 -4.164
164 HA3 GLY 22 HA3 GLY 22 134.124 -0.013 -2.718
165 HA PRO 23 HA PRO 23 136.726 -0.740 -6.623
166 HB2 PRO 23 HB2 PRO 23 138.230 1.515 -6.850
167 HB3 PRO 23 HB3 PRO 23 136.545 1.431 -7.446
168 HG2 PRO 23 HG2 PRO 23 137.518 2.522 -4.783
169 HG3 PRO 23 HG3 PRO 23 136.441 3.323 -5.973
170 HD2 PRO 23 HD2 PRO 23 135.445 1.963 -3.825
171 HD3 PRO 23 HD3 PRO 23 134.626 1.935 -5.413
172 H LYS 24 H LYS 24 138.974 -1.212 -6.777
173 HA LYS 24 HA LYS 24 140.299 -2.205 -4.473
174 HB2 LYS 24 HB2 LYS 24 140.606 -2.989 -6.827
175 HB3 LYS 24 HB3 LYS 24 141.374 -1.453 -7.229
176 HG2 LYS 24 HG2 LYS 24 143.245 -1.941 -5.727
177 HG3 LYS 24 HG3 LYS 24 142.463 -3.442 -5.189
178 HD2 LYS 24 HD2 LYS 24 142.632 -4.383 -7.439
179 HD3 LYS 24 HD3 LYS 24 143.226 -2.836 -8.084
180 HE2 LYS 24 HE2 LYS 24 145.229 -2.990 -6.640
181 HE3 LYS 24 HE3 LYS 24 144.659 -4.543 -5.998
182 HZ1 LYS 24 HZ1 LYS 24 145.324 -4.013 -8.853
183 HZ2 LYS 24 HZ2 LYS 24 146.280 -4.821 -7.798
184 HZ3 LYS 24 HZ3 LYS 24 144.835 -5.458 -8.248
185 H GLY 25 H GLY 25 141.936 -1.498 -3.181
186 HA2 GLY 25 HA2 GLY 25 142.288 1.343 -2.778
187 HA3 GLY 25 HA3 GLY 25 143.099 0.048 -1.909
188 HA PRO 26 HA PRO 26 145.993 2.244 -4.965
189 HB2 PRO 26 HB2 PRO 26 147.370 3.983 -3.373
190 HB3 PRO 26 HB3 PRO 26 145.759 4.364 -4.057
191 HG2 PRO 26 HG2 PRO 26 146.391 3.267 -1.299
192 HG3 PRO 26 HG3 PRO 26 145.371 4.685 -1.711
193 HD2 PRO 26 HD2 PRO 26 144.269 2.238 -1.249
194 HD3 PRO 26 HD3 PRO 26 143.627 3.314 -2.520
195 H LYS 27 H LYS 27 148.251 1.959 -5.229
196 HA LYS 27 HA LYS 27 149.458 -0.377 -4.160
197 HB2 LYS 27 HB2 LYS 27 149.967 0.741 -6.338
198 HB3 LYS 27 HB3 LYS 27 150.784 2.045 -5.463
199 HG2 LYS 27 HG2 LYS 27 152.461 0.442 -4.608
200 HG3 LYS 27 HG3 LYS 27 151.592 -0.900 -5.387
201 HD2 LYS 27 HD2 LYS 27 151.995 0.122 -7.608
202 HD3 LYS 27 HD3 LYS 27 152.837 1.483 -6.838
203 HE2 LYS 27 HE2 LYS 27 154.526 -0.092 -5.911
204 HE3 LYS 27 HE3 LYS 27 153.685 -1.448 -6.677
205 HZ1 LYS 27 HZ1 LYS 27 154.930 0.830 -8.143
206 HZ2 LYS 27 HZ2 LYS 27 155.548 -0.679 -8.046
207 HZ3 LYS 27 HZ3 LYS 27 154.151 -0.422 -8.848
208 H GLY 28 H GLY 28 150.921 -0.784 -2.568
209 HA2 GLY 28 HA2 GLY 28 150.822 0.784 -0.217
210 HA3 GLY 28 HA3 GLY 28 151.905 -0.577 -0.483
211 HA PRO 29 HA PRO 29 154.167 3.639 -0.408
212 HB2 PRO 29 HB2 PRO 29 155.057 3.809 2.185
213 HB3 PRO 29 HB3 PRO 29 153.455 4.397 1.649
214 HG2 PRO 29 HG2 PRO 29 154.126 1.733 2.927
215 HG3 PRO 29 HG3 PRO 29 152.825 2.880 3.386
216 HD2 PRO 29 HD2 PRO 29 152.318 0.734 1.795
217 HD3 PRO 29 HD3 PRO 29 151.526 2.303 1.499
218 H LYS 30 H LYS 30 156.390 3.914 -0.526
219 HA LYS 30 HA LYS 30 158.156 1.523 -0.119
220 HB2 LYS 30 HB2 LYS 30 158.995 1.738 -2.377
221 HB3 LYS 30 HB3 LYS 30 157.243 1.549 -2.407
222 HG2 LYS 30 HG2 LYS 30 156.951 3.974 -2.792
223 HG3 LYS 30 HG3 LYS 30 158.705 4.215 -2.682
224 HD2 LYS 30 HD2 LYS 30 159.045 2.800 -4.683
225 HD3 LYS 30 HD3 LYS 30 157.310 2.470 -4.754
226 HE2 LYS 30 HE2 LYS 30 157.838 4.142 -6.403
227 HE3 LYS 30 HE3 LYS 30 156.835 4.866 -5.144
228 HZ1 LYS 30 HZ1 LYS 30 159.798 5.152 -5.316
229 HZ2 LYS 30 HZ2 LYS 30 158.725 6.282 -5.796
230 HZ3 LYS 30 HZ3 LYS 30 158.833 5.897 -4.218
231 H GLY 31 H GLY 31 157.891 4.556 0.915
232 HA2 GLY 31 HA2 GLY 31 160.643 4.894 1.642
233 HA3 GLY 31 HA3 GLY 31 160.253 5.954 0.286
234 HN1 NH2 32 HN1 NH2 32 161.027 7.329 2.384
235 HN2 NH2 32 HN2 NH2 32 159.683 8.019 3.273
236 H1 ACE 33 H1 ACE 33 81.487 -1.767 -4.657
237 H2 ACE 33 H2 ACE 33 83.047 -1.172 -4.053
238 H3 ACE 33 H3 ACE 33 81.665 -1.330 -2.942
239 H ASP 34 H ASP 34 79.747 -0.308 -4.867
240 HA ASP 34 HA ASP 34 80.361 2.256 -5.861
241 HB2 ASP 34 HB2 ASP 34 77.714 1.047 -4.993
242 HB3 ASP 34 HB3 ASP 34 77.863 2.588 -5.829
243 HA HYP 35 HA HYP 35 78.347 4.094 -1.782
244 HB2 HYP 35 HB2 HYP 35 80.067 2.534 0.146
245 HB3 HYP 35 HB3 HYP 35 78.460 3.269 0.426
246 HG HYP 35 HG HYP 35 78.724 0.621 -0.088
247 HD22 HYP 35 HD22 HYP 35 80.029 0.653 -2.012
248 HD23 HYP 35 HD23 HYP 35 78.428 0.694 -2.795
249 HD1 HYP 35 HD1 HYP 35 76.825 2.221 -1.510
250 H GLY 36 H GLY 36 81.804 3.481 -2.330
251 HA2 GLY 36 HA2 GLY 36 82.371 6.308 -1.887
252 HA3 GLY 36 HA3 GLY 36 83.094 5.270 -0.663
253 H ASP 37 H ASP 37 84.690 6.849 -2.109
254 HA ASP 37 HA ASP 37 85.645 5.794 -4.586
255 HB2 ASP 37 HB2 ASP 37 86.673 7.854 -2.593
256 HB3 ASP 37 HB3 ASP 37 87.477 7.528 -4.114
257 HA HYP 38 HA HYP 38 89.031 3.029 -3.495
258 HB2 HYP 38 HB2 HYP 38 90.840 4.840 -5.065
259 HB3 HYP 38 HB3 HYP 38 90.660 3.068 -5.170
260 HG HYP 38 HG HYP 38 89.573 4.808 -7.008
261 HD22 HYP 38 HD22 HYP 38 88.191 6.120 -5.699
262 HD23 HYP 38 HD23 HYP 38 87.041 4.778 -5.947
263 HD1 HYP 38 HD1 HYP 38 89.306 2.566 -7.181
264 H GLY 39 H GLY 39 90.927 2.866 -2.227
265 HA2 GLY 39 HA2 GLY 39 91.520 5.124 -0.409
266 HA3 GLY 39 HA3 GLY 39 92.066 3.461 -0.249
267 H ASP 40 H ASP 40 93.754 5.601 0.209
268 HA ASP 40 HA ASP 40 95.246 6.381 -2.110
269 HB2 ASP 40 HB2 ASP 40 95.612 6.787 0.882
270 HB3 ASP 40 HB3 ASP 40 96.616 7.537 -0.349
271 HA HYP 41 HA HYP 41 98.670 3.418 -2.128
272 HB2 HYP 41 HB2 HYP 41 100.394 5.852 -2.481
273 HB3 HYP 41 HB3 HYP 41 100.392 4.335 -3.419
274 HG HYP 41 HG HYP 41 99.265 6.671 -4.339
275 HD22 HYP 41 HD22 HYP 41 97.703 7.143 -2.685
276 HD23 HYP 41 HD23 HYP 41 96.689 6.044 -3.663
277 HD1 HYP 41 HD1 HYP 41 99.188 4.796 -5.582
278 H GLY 42 H GLY 42 100.259 2.655 -0.726
279 HA2 GLY 42 HA2 GLY 42 100.531 3.785 1.930
280 HA3 GLY 42 HA3 GLY 42 101.409 2.413 1.272
281 H ASP 43 H ASP 43 102.777 3.978 2.959
282 HA ASP 43 HA ASP 43 104.259 6.100 1.665
283 HB2 ASP 43 HB2 ASP 43 104.387 4.643 4.316
284 HB3 ASP 43 HB3 ASP 43 105.689 5.715 3.826
285 HA HYP 44 HA HYP 44 107.546 3.828 -0.251
286 HB2 HYP 44 HB2 HYP 44 109.529 5.733 0.928
287 HB3 HYP 44 HB3 HYP 44 109.270 5.289 -0.780
288 HG HYP 44 HG HYP 44 108.439 7.686 0.292
289 HD22 HYP 44 HD22 HYP 44 107.042 6.937 2.009
290 HD23 HYP 44 HD23 HYP 44 105.846 6.990 0.684
291 HD1 HYP 44 HD1 HYP 44 108.056 7.172 -1.881
292 H GLY 45 H GLY 45 109.102 2.270 0.121
293 HA2 GLY 45 HA2 GLY 45 109.650 1.218 2.750
294 HA3 GLY 45 HA3 GLY 45 110.425 0.766 1.252
295 H ASP 46 H ASP 46 111.709 0.894 3.734
296 HA ASP 46 HA ASP 46 113.253 3.285 4.074
297 HB2 ASP 46 HB2 ASP 46 113.485 0.415 5.060
298 HB3 ASP 46 HB3 ASP 46 114.620 1.675 5.516
299 HA HYP 47 HA HYP 47 116.534 2.725 1.067
300 HB2 HYP 47 HB2 HYP 47 118.451 3.378 3.282
301 HB3 HYP 47 HB3 HYP 47 118.343 4.084 1.648
302 HG HYP 47 HG HYP 47 117.423 5.375 3.883
303 HD22 HYP 47 HD22 HYP 47 115.900 3.818 4.738
304 HD23 HYP 47 HD23 HYP 47 114.796 4.660 3.614
305 HD1 HYP 47 HD1 HYP 47 116.087 6.517 2.505
306 H GLY 48 H GLY 48 118.164 1.304 0.400
307 HA2 GLY 48 HA2 GLY 48 118.596 -1.194 1.839
308 HA3 GLY 48 HA3 GLY 48 119.408 -0.656 0.374
309 H ASP 49 H ASP 49 120.754 -2.016 2.412
310 HA ASP 49 HA ASP 49 122.233 -0.141 4.067
311 HB2 ASP 49 HB2 ASP 49 122.266 -3.127 3.586
312 HB3 ASP 49 HB3 ASP 49 123.584 -2.355 4.443
313 HA HYP 50 HA HYP 50 125.619 0.955 1.483
314 HB2 HYP 50 HB2 HYP 50 127.522 -0.009 3.592
315 HB3 HYP 50 HB3 HYP 50 127.464 1.571 2.766
316 HG HYP 50 HG HYP 50 126.550 1.200 5.331
317 HD22 HYP 50 HD22 HYP 50 124.960 -0.473 5.026
318 HD23 HYP 50 HD23 HYP 50 123.914 0.936 4.696
319 HD1 HYP 50 HD1 HYP 50 126.391 3.214 4.314
320 H GLY 51 H GLY 51 127.054 0.174 -0.013
321 HA2 GLY 51 HA2 GLY 51 127.254 -2.635 -0.589
322 HA3 GLY 51 HA3 GLY 51 128.177 -1.344 -1.340
323 H ASP 52 H ASP 52 129.236 -3.887 -0.835
324 HA ASP 52 HA ASP 52 130.694 -4.038 1.593
325 HB2 ASP 52 HB2 ASP 52 130.956 -5.416 -1.101
326 HB3 ASP 52 HB3 ASP 52 131.888 -5.853 0.322
327 HA HYP 53 HA HYP 53 134.293 -1.463 0.772
328 HB2 HYP 53 HB2 HYP 53 135.849 -3.654 2.113
329 HB3 HYP 53 HB3 HYP 53 135.874 -1.900 2.439
330 HG HYP 53 HG HYP 53 134.567 -3.669 4.064
331 HD22 HYP 53 HD22 HYP 53 133.164 -4.735 2.513
332 HD23 HYP 53 HD23 HYP 53 132.086 -3.393 2.993
333 HD1 HYP 53 HD1 HYP 53 133.159 -1.957 4.599
334 H GLY 54 H GLY 54 136.022 -1.305 -0.659
335 HA2 GLY 54 HA2 GLY 54 136.320 -3.278 -2.748
336 HA3 GLY 54 HA3 GLY 54 137.290 -1.830 -2.515
337 H ASP 55 H ASP 55 138.474 -4.088 -3.485
338 HA ASP 55 HA ASP 55 139.697 -5.762 -1.520
339 HB2 ASP 55 HB2 ASP 55 140.278 -5.120 -4.439
340 HB3 ASP 55 HB3 ASP 55 141.173 -6.308 -3.513
341 HA HYP 56 HA HYP 56 143.256 -3.274 -0.243
342 HB2 HYP 56 HB2 HYP 56 144.827 -5.807 -0.580
343 HB3 HYP 56 HB3 HYP 56 144.784 -4.688 0.809
344 HG HYP 56 HG HYP 56 143.484 -7.104 0.802
345 HD22 HYP 56 HD22 HYP 56 142.095 -6.891 -1.063
346 HD23 HYP 56 HD23 HYP 56 141.012 -6.128 0.136
347 HD1 HYP 56 HD1 HYP 56 142.099 -6.218 2.343
348 H GLY 57 H GLY 57 144.964 -2.190 -1.209
349 HA2 GLY 57 HA2 GLY 57 145.556 -2.474 -4.029
350 HA3 GLY 57 HA3 GLY 57 146.444 -1.505 -2.867
351 H ASP 58 H ASP 58 147.829 -2.815 -4.870
352 HA ASP 58 HA ASP 58 148.977 -5.299 -3.882
353 HB2 ASP 58 HB2 ASP 58 149.516 -3.401 -6.183
354 HB3 ASP 58 HB3 ASP 58 150.664 -4.659 -5.773
355 HA HYP 59 HA HYP 59 152.147 -3.823 -1.201
356 HB2 HYP 59 HB2 HYP 59 154.182 -5.362 -2.777
357 HB3 HYP 59 HB3 HYP 59 153.857 -5.396 -1.024
358 HG HYP 59 HG HYP 59 153.030 -7.369 -2.772
359 HD22 HYP 59 HD22 HYP 59 151.629 -6.228 -4.215
360 HD23 HYP 59 HD23 HYP 59 150.433 -6.478 -2.913
361 HD1 HYP 59 HD1 HYP 59 152.621 -7.527 -0.565
362 H GLY 60 H GLY 60 153.911 -2.407 -0.953
363 HA2 GLY 60 HA2 GLY 60 154.679 -0.598 -3.080
364 HA3 GLY 60 HA3 GLY 60 155.467 -0.768 -1.512
365 H ASP 61 H ASP 61 157.030 -0.267 -3.680
366 HA ASP 61 HA ASP 61 158.005 -2.546 -5.097
367 HB2 ASP 61 HB2 ASP 61 158.462 0.191 -5.447
368 HB3 ASP 61 HB3 ASP 61 159.701 -0.101 -4.269
369 HA HYP 62 HA HYP 62 160.382 -4.442 -1.830
370 HB2 HYP 62 HB2 HYP 62 161.457 -6.563 -3.126
371 HB3 HYP 62 HB3 HYP 62 159.696 -6.394 -2.870
372 HG HYP 62 HG HYP 62 161.303 -5.678 -5.350
373 HD22 HYP 62 HD22 HYP 62 159.806 -3.966 -5.838
374 HD23 HYP 62 HD23 HYP 62 158.464 -4.749 -4.952
375 HD1 HYP 62 HD1 HYP 62 159.604 -6.870 -6.319
376 H GLY 63 H GLY 63 161.918 -2.742 -4.395
377 HA2 GLY 63 HA2 GLY 63 163.871 -1.505 -3.410
378 HA3 GLY 63 HA3 GLY 63 164.627 -3.074 -3.139
379 HN1 NH2 64 HN1 NH2 64 163.601 -4.104 -5.839
380 HN2 NH2 64 HN2 NH2 64 164.686 -3.355 -6.996
381 H1 ACE 65 H1 ACE 65 80.309 -5.824 0.634
382 H2 ACE 65 H2 ACE 65 81.670 -5.455 1.722
383 H3 ACE 65 H3 ACE 65 81.971 -5.786 0.003
384 HA PRO 66 HA PRO 66 79.596 -1.495 0.240
385 HB2 PRO 66 HB2 PRO 66 80.189 -0.839 3.123
386 HB3 PRO 66 HB3 PRO 66 78.793 -0.360 2.117
387 HG2 PRO 66 HG2 PRO 66 78.578 -2.398 3.898
388 HG3 PRO 66 HG3 PRO 66 77.825 -2.523 2.276
389 HD2 PRO 66 HD2 PRO 66 80.411 -3.744 3.246
390 HD3 PRO 66 HD3 PRO 66 79.136 -4.453 2.214
391 HA HYP 67 HA HYP 67 83.672 0.803 1.707
392 HB2 HYP 67 HB2 HYP 67 85.527 -1.565 1.621
393 HB3 HYP 67 HB3 HYP 67 85.652 -0.073 2.596
394 HG HYP 67 HG HYP 67 84.761 -2.403 3.678
395 HD22 HYP 67 HD22 HYP 67 83.096 -2.976 2.139
396 HD23 HYP 67 HD23 HYP 67 82.094 -2.054 3.292
397 HD1 HYP 67 HD1 HYP 67 83.534 -1.169 5.113
398 H GLY 68 H GLY 68 84.662 1.886 0.069
399 HA2 GLY 68 HA2 GLY 68 84.889 0.946 -2.624
400 HA3 GLY 68 HA3 GLY 68 85.755 2.322 -1.937
401 HA PRO 69 HA PRO 69 88.388 -1.553 -2.737
402 HB2 PRO 69 HB2 PRO 69 89.876 -0.301 -4.871
403 HB3 PRO 69 HB3 PRO 69 88.957 -1.829 -4.867
404 HG2 PRO 69 HG2 PRO 69 88.173 0.564 -6.156
405 HG3 PRO 69 HG3 PRO 69 87.107 -0.783 -5.713
406 HD2 PRO 69 HD2 PRO 69 87.387 1.837 -4.348
407 HD3 PRO 69 HD3 PRO 69 85.997 0.724 -4.445
408 HA HYP 70 HA HYP 70 91.516 0.289 -0.002
409 HB2 HYP 70 HB2 HYP 70 92.962 -2.272 -0.594
410 HB3 HYP 70 HB3 HYP 70 92.662 -1.498 0.982
411 HG HYP 70 HG HYP 70 91.243 -3.672 0.075
412 HD22 HYP 70 HD22 HYP 70 90.293 -2.884 -1.895
413 HD23 HYP 70 HD23 HYP 70 89.072 -2.229 -0.759
414 HD1 HYP 70 HD1 HYP 70 89.553 -2.953 1.433
415 H GLY 71 H GLY 71 93.566 1.225 -0.114
416 HA2 GLY 71 HA2 GLY 71 94.569 1.814 -2.765
417 HA3 GLY 71 HA3 GLY 71 95.237 2.368 -1.237
418 HA PRO 72 HA PRO 72 97.706 -1.236 -3.151
419 HB2 PRO 72 HB2 PRO 72 99.555 -0.062 -4.793
420 HB3 PRO 72 HB3 PRO 72 97.886 -0.437 -5.320
421 HG2 PRO 72 HG2 PRO 72 98.958 2.204 -4.280
422 HG3 PRO 72 HG3 PRO 72 98.011 1.912 -5.776
423 HD2 PRO 72 HD2 PRO 72 96.820 2.736 -3.464
424 HD3 PRO 72 HD3 PRO 72 96.019 1.574 -4.563
425 HA HYP 73 HA HYP 73 101.213 -0.792 -0.294
426 HB2 HYP 73 HB2 HYP 73 102.887 -2.006 -2.472
427 HB3 HYP 73 HB3 HYP 73 102.782 -2.465 -0.751
428 HG HYP 73 HG HYP 73 101.568 -3.906 -2.750
429 HD22 HYP 73 HD22 HYP 73 100.229 -2.280 -3.748
430 HD23 HYP 73 HD23 HYP 73 99.085 -2.814 -2.484
431 HD1 HYP 73 HD1 HYP 73 101.329 -4.518 -0.596
432 H GLY 74 H GLY 74 102.967 0.608 0.052
433 HA2 GLY 74 HA2 GLY 74 103.353 2.811 -1.760
434 HA3 GLY 74 HA3 GLY 74 104.314 2.472 -0.326
435 HA PRO 75 HA PRO 75 106.645 1.555 -4.338
436 HB2 PRO 75 HB2 PRO 75 108.405 3.827 -4.045
437 HB3 PRO 75 HB3 PRO 75 107.285 3.436 -5.375
438 HG2 PRO 75 HG2 PRO 75 106.973 5.505 -3.434
439 HG3 PRO 75 HG3 PRO 75 105.751 4.916 -4.585
440 HD2 PRO 75 HD2 PRO 75 105.968 4.352 -1.692
441 HD3 PRO 75 HD3 PRO 75 104.561 4.256 -2.780
442 HA HYP 76 HA HYP 76 110.094 -0.341 -2.070
443 HB2 HYP 76 HB2 HYP 76 111.705 0.246 -4.536
444 HB3 HYP 76 HB3 HYP 76 111.559 -1.284 -3.632
445 HG HYP 76 HG HYP 76 110.273 -0.824 -6.020
446 HD22 HYP 76 HD22 HYP 76 109.005 1.066 -5.535
447 HD23 HYP 76 HD23 HYP 76 107.864 -0.175 -4.937
448 HD1 HYP 76 HD1 HYP 76 109.998 -2.776 -4.928
449 H GLY 77 H GLY 77 111.931 0.296 -0.909
450 HA2 GLY 77 HA2 GLY 77 112.704 3.100 -0.810
451 HA3 GLY 77 HA3 GLY 77 113.511 1.763 0.001
452 HA PRO 78 HA PRO 78 115.841 3.211 -3.891
453 HB2 PRO 78 HB2 PRO 78 117.750 4.918 -2.910
454 HB3 PRO 78 HB3 PRO 78 116.096 5.443 -3.346
455 HG2 PRO 78 HG2 PRO 78 117.142 4.686 -0.598
456 HG3 PRO 78 HG3 PRO 78 116.226 6.157 -1.063
457 HD2 PRO 78 HD2 PRO 78 114.982 3.990 0.022
458 HD3 PRO 78 HD3 PRO 78 114.208 4.946 -1.276
459 HA HYP 79 HA HYP 79 119.259 0.313 -3.172
460 HB2 HYP 79 HB2 HYP 79 120.930 2.231 -4.769
461 HB3 HYP 79 HB3 HYP 79 120.769 0.465 -4.953
462 HG HYP 79 HG HYP 79 119.531 2.253 -6.631
463 HD22 HYP 79 HD22 HYP 79 118.291 3.526 -5.118
464 HD23 HYP 79 HD23 HYP 79 117.097 2.228 -5.405
465 HD1 HYP 79 HD1 HYP 79 119.237 0.020 -6.863
466 H GLY 80 H GLY 80 120.989 0.132 -1.727
467 HA2 GLY 80 HA2 GLY 80 121.546 2.245 0.120
468 HA3 GLY 80 HA3 GLY 80 122.458 0.747 -0.029
469 HA PRO 81 HA PRO 81 124.884 4.462 -1.704
470 HB2 PRO 81 HB2 PRO 81 126.626 4.600 0.600
471 HB3 PRO 81 HB3 PRO 81 125.559 5.857 -0.079
472 HG2 PRO 81 HG2 PRO 81 125.167 4.411 2.353
473 HG3 PRO 81 HG3 PRO 81 123.999 5.467 1.526
474 HD2 PRO 81 HD2 PRO 81 124.073 2.515 1.596
475 HD3 PRO 81 HD3 PRO 81 122.726 3.626 1.236
476 HA HYP 82 HA HYP 82 128.183 1.725 -3.099
477 HB2 HYP 82 HB2 HYP 82 130.041 4.069 -2.847
478 HB3 HYP 82 HB3 HYP 82 129.804 2.971 -4.231
479 HG HYP 82 HG HYP 82 128.769 5.518 -4.142
480 HD22 HYP 82 HD22 HYP 82 127.453 5.445 -2.224
481 HD23 HYP 82 HD23 HYP 82 126.261 4.793 -3.387
482 HD1 HYP 82 HD1 HYP 82 128.382 4.213 -5.924
483 H GLY 83 H GLY 83 129.837 0.460 -2.276
484 HA2 GLY 83 HA2 GLY 83 130.678 0.707 0.497
485 HA3 GLY 83 HA3 GLY 83 131.331 -0.405 -0.706
486 HA PRO 84 HA PRO 84 134.055 3.468 -0.051
487 HB2 PRO 84 HB2 PRO 84 135.797 2.797 1.959
488 HB3 PRO 84 HB3 PRO 84 134.180 3.503 2.256
489 HG2 PRO 84 HG2 PRO 84 134.963 0.570 2.300
490 HG3 PRO 84 HG3 PRO 84 134.048 1.487 3.541
491 HD2 PRO 84 HD2 PRO 84 132.780 -0.014 1.653
492 HD3 PRO 84 HD3 PRO 84 132.107 1.550 2.200
493 HA HYP 85 HA HYP 85 137.511 1.714 -2.440
494 HB2 HYP 85 HB2 HYP 85 139.241 3.582 -0.847
495 HB3 HYP 85 HB3 HYP 85 139.192 3.331 -2.612
496 HG HYP 85 HG HYP 85 138.058 5.516 -1.395
497 HD22 HYP 85 HD22 HYP 85 136.608 4.490 0.119
498 HD23 HYP 85 HD23 HYP 85 135.508 4.564 -1.287
499 HD1 HYP 85 HD1 HYP 85 137.887 5.228 -3.625
500 H GLY 86 H GLY 86 139.005 0.070 -2.102
501 HA2 GLY 86 HA2 GLY 86 139.176 -1.208 0.455
502 HA3 GLY 86 HA3 GLY 86 140.166 -1.587 -0.951
503 HA PRO 87 HA PRO 87 142.578 0.650 2.456
504 HB2 PRO 87 HB2 PRO 87 144.094 -1.704 3.171
505 HB3 PRO 87 HB3 PRO 87 143.017 -0.709 4.186
506 HG2 PRO 87 HG2 PRO 87 142.505 -3.345 3.211
507 HG3 PRO 87 HG3 PRO 87 141.353 -2.246 4.006
508 HD2 PRO 87 HD2 PRO 87 141.578 -2.902 1.137
509 HD3 PRO 87 HD3 PRO 87 140.211 -2.222 2.054
510 HA HYP 88 HA HYP 88 146.236 1.078 -0.232
511 HB2 HYP 88 HB2 HYP 88 147.696 1.423 2.370
512 HB3 HYP 88 HB3 HYP 88 147.773 2.430 0.900
513 HG HYP 88 HG HYP 88 146.381 3.181 3.149
514 HD22 HYP 88 HD22 HYP 88 144.906 1.397 3.411
515 HD23 HYP 88 HD23 HYP 88 143.928 2.378 2.279
516 HD1 HYP 88 HD1 HYP 88 146.376 4.496 1.323
517 H GLY 89 H GLY 89 147.858 -0.324 -0.923
518 HA2 GLY 89 HA2 GLY 89 147.899 -2.997 0.074
519 HA3 GLY 89 HA3 GLY 89 149.064 -2.313 -1.060
520 HA PRO 90 HA PRO 90 150.859 -3.057 3.222
521 HB2 PRO 90 HB2 PRO 90 152.495 -5.269 2.307
522 HB3 PRO 90 HB3 PRO 90 151.336 -5.207 3.663
523 HG2 PRO 90 HG2 PRO 90 150.927 -6.565 1.216
524 HG3 PRO 90 HG3 PRO 90 149.663 -6.054 2.348
525 HD2 PRO 90 HD2 PRO 90 150.423 -4.775 -0.221
526 HD3 PRO 90 HD3 PRO 90 148.856 -4.830 0.623
527 HA HYP 91 HA HYP 91 154.432 -0.578 2.133
528 HB2 HYP 91 HB2 HYP 91 155.901 -1.935 4.368
529 HB3 HYP 91 HB3 HYP 91 155.725 -0.191 4.032
530 HG HYP 91 HG HYP 91 154.310 -1.478 5.998
531 HD22 HYP 91 HD22 HYP 91 153.175 -3.124 4.790
532 HD23 HYP 91 HD23 HYP 91 152.027 -1.772 4.573
533 HD1 HYP 91 HD1 HYP 91 152.727 0.145 5.730
534 H GLY 92 H GLY 92 156.535 -0.679 1.195
535 HA2 GLY 92 HA2 GLY 92 156.965 -2.854 -0.489
536 HA3 GLY 92 HA3 GLY 92 158.145 -1.599 -0.165
537 HA PRO 93 HA PRO 93 158.902 -5.837 2.292
538 HB2 PRO 93 HB2 PRO 93 159.867 -6.932 -0.366
539 HB3 PRO 93 HB3 PRO 93 159.206 -7.828 1.039
540 HG2 PRO 93 HG2 PRO 93 157.620 -7.304 -1.078
541 HG3 PRO 93 HG3 PRO 93 156.992 -7.061 0.585
542 HD2 PRO 93 HD2 PRO 93 158.026 -4.987 -1.354
543 HD3 PRO 93 HD3 PRO 93 156.601 -4.935 -0.274
544 HA HYP 94 HA HYP 94 163.168 -4.542 2.537
545 HB2 HYP 94 HB2 HYP 94 164.343 -6.476 4.060
546 HB3 HYP 94 HB3 HYP 94 163.096 -5.357 4.680
547 HG HYP 94 HG HYP 94 162.729 -8.208 3.694
548 HD22 HYP 94 HD22 HYP 94 160.617 -7.709 2.889
549 HD23 HYP 94 HD23 HYP 94 160.382 -6.355 4.031
550 HD1 HYP 94 HD1 HYP 94 162.836 -7.823 5.967
551 H GLY 95 H GLY 95 162.370 -7.144 0.546
552 HA2 GLY 95 HA2 GLY 95 164.640 -6.814 -1.123
553 HA3 GLY 95 HA3 GLY 95 164.876 -8.291 -0.182
554 HN1 NH2 96 HN1 NH2 96 161.873 -8.940 -0.232
555 HN2 NH2 96 HN2 NH2 96 161.581 -9.456 -1.877
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 79.421 7.828 9.547
2 H2 ACE 1 H2 ACE 1 77.708 7.814 10.021
3 H3 ACE 1 H3 ACE 1 78.961 7.336 11.192
4 HA PRO 2 HA PRO 2 78.525 3.147 10.057
5 HB2 PRO 2 HB2 PRO 2 76.043 2.231 10.806
6 HB3 PRO 2 HB3 PRO 2 77.308 2.743 11.964
7 HG2 PRO 2 HG2 PRO 2 74.989 4.388 10.899
8 HG3 PRO 2 HG3 PRO 2 75.493 4.162 12.607
9 HD2 PRO 2 HD2 PRO 2 76.254 6.343 11.189
10 HD3 PRO 2 HD3 PRO 2 77.391 5.553 12.323
11 H LYS 3 H LYS 3 76.310 5.236 8.441
12 HA LYS 3 HA LYS 3 75.402 3.348 6.392
13 HB2 LYS 3 HB2 LYS 3 75.339 6.396 6.602
14 HB3 LYS 3 HB3 LYS 3 74.575 5.491 5.310
15 HG2 LYS 3 HG2 LYS 3 73.856 5.361 8.270
16 HG3 LYS 3 HG3 LYS 3 72.935 6.144 6.995
17 HD2 LYS 3 HD2 LYS 3 73.406 3.143 7.285
18 HD3 LYS 3 HD3 LYS 3 71.915 4.017 7.631
19 HE2 LYS 3 HE2 LYS 3 71.655 4.653 5.285
20 HE3 LYS 3 HE3 LYS 3 73.216 3.930 4.871
21 HZ1 LYS 3 HZ1 LYS 3 70.916 2.379 5.928
22 HZ2 LYS 3 HZ2 LYS 3 71.339 2.457 4.351
23 HZ3 LYS 3 HZ3 LYS 3 72.359 1.760 5.424
24 H GLY 4 H GLY 4 78.464 4.612 6.871
25 HA2 GLY 4 HA2 GLY 4 79.386 3.657 4.350
26 HA3 GLY 4 HA3 GLY 4 79.289 5.420 4.319
27 HA PRO 5 HA PRO 5 82.594 4.860 7.687
28 HB2 PRO 5 HB2 PRO 5 83.211 2.478 8.857
29 HB3 PRO 5 HB3 PRO 5 81.807 3.476 9.345
30 HG2 PRO 5 HG2 PRO 5 81.824 1.106 7.455
31 HG3 PRO 5 HG3 PRO 5 80.730 1.404 8.844
32 HD2 PRO 5 HD2 PRO 5 80.014 2.021 6.282
33 HD3 PRO 5 HD3 PRO 5 79.537 3.035 7.673
34 H LYS 6 H LYS 6 84.132 5.397 6.233
35 HA LYS 6 HA LYS 6 85.293 3.767 4.221
36 HB2 LYS 6 HB2 LYS 6 85.325 6.266 4.208
37 HB3 LYS 6 HB3 LYS 6 86.337 6.267 5.650
38 HG2 LYS 6 HG2 LYS 6 88.186 5.276 4.459
39 HG3 LYS 6 HG3 LYS 6 87.212 5.042 3.002
40 HD2 LYS 6 HD2 LYS 6 87.074 7.462 2.667
41 HD3 LYS 6 HD3 LYS 6 87.860 7.755 4.240
42 HE2 LYS 6 HE2 LYS 6 89.864 6.494 3.450
43 HE3 LYS 6 HE3 LYS 6 89.107 6.297 1.860
44 HZ1 LYS 6 HZ1 LYS 6 89.769 8.924 3.088
45 HZ2 LYS 6 HZ2 LYS 6 90.701 8.154 1.985
46 HZ3 LYS 6 HZ3 LYS 6 89.200 8.689 1.566
47 H GLY 7 H GLY 7 87.163 2.637 3.986
48 HA2 GLY 7 HA2 GLY 7 88.206 1.263 6.304
49 HA3 GLY 7 HA3 GLY 7 88.760 1.080 4.643
50 HA PRO 8 HA PRO 8 91.789 3.679 7.277
51 HB2 PRO 8 HB2 PRO 8 93.561 1.825 8.247
52 HB3 PRO 8 HB3 PRO 8 92.036 2.251 9.080
53 HG2 PRO 8 HG2 PRO 8 92.533 -0.078 7.197
54 HG3 PRO 8 HG3 PRO 8 91.799 -0.122 8.834
55 HD2 PRO 8 HD2 PRO 8 90.237 -0.046 6.618
56 HD3 PRO 8 HD3 PRO 8 89.808 0.913 8.064
57 H LYS 9 H LYS 9 93.921 4.239 6.744
58 HA LYS 9 HA LYS 9 94.886 3.829 4.088
59 HB2 LYS 9 HB2 LYS 9 95.360 5.819 5.525
60 HB3 LYS 9 HB3 LYS 9 96.301 4.800 6.619
61 HG2 LYS 9 HG2 LYS 9 97.955 4.370 4.907
62 HG3 LYS 9 HG3 LYS 9 96.986 5.216 3.678
63 HD2 LYS 9 HD2 LYS 9 97.286 7.342 4.852
64 HD3 LYS 9 HD3 LYS 9 98.105 6.520 6.201
65 HE2 LYS 9 HE2 LYS 9 99.903 5.779 4.669
66 HE3 LYS 9 HE3 LYS 9 99.115 6.606 3.316
67 HZ1 LYS 9 HZ1 LYS 9 100.060 7.987 5.776
68 HZ2 LYS 9 HZ2 LYS 9 100.946 7.880 4.418
69 HZ3 LYS 9 HZ3 LYS 9 99.520 8.714 4.405
70 H GLY 10 H GLY 10 96.446 2.537 3.215
71 HA2 GLY 10 HA2 GLY 10 96.762 -0.083 4.290
72 HA3 GLY 10 HA3 GLY 10 97.566 0.559 2.863
73 HA PRO 11 HA PRO 11 100.544 -0.104 6.497
74 HB2 PRO 11 HB2 PRO 11 101.774 -2.453 5.840
75 HB3 PRO 11 HB3 PRO 11 100.199 -2.388 6.690
76 HG2 PRO 11 HG2 PRO 11 100.694 -2.738 3.716
77 HG3 PRO 11 HG3 PRO 11 99.650 -3.733 4.783
78 HD2 PRO 11 HD2 PRO 11 98.627 -1.714 3.262
79 HD3 PRO 11 HD3 PRO 11 98.005 -2.044 4.905
80 H LYS 12 H LYS 12 102.801 0.165 6.519
81 HA LYS 12 HA LYS 12 103.998 1.657 4.433
82 HB2 LYS 12 HB2 LYS 12 104.571 1.674 6.881
83 HB3 LYS 12 HB3 LYS 12 105.369 0.106 6.679
84 HG2 LYS 12 HG2 LYS 12 106.953 1.127 5.080
85 HG3 LYS 12 HG3 LYS 12 106.129 2.687 5.235
86 HD2 LYS 12 HD2 LYS 12 106.666 2.547 7.753
87 HD3 LYS 12 HD3 LYS 12 107.732 1.184 7.339
88 HE2 LYS 12 HE2 LYS 12 108.890 2.721 5.673
89 HE3 LYS 12 HE3 LYS 12 107.881 4.044 6.271
90 HZ1 LYS 12 HZ1 LYS 12 109.943 2.525 7.768
91 HZ2 LYS 12 HZ2 LYS 12 109.948 4.114 7.441
92 HZ3 LYS 12 HZ3 LYS 12 108.874 3.535 8.534
93 H GLY 13 H GLY 13 105.340 1.178 2.757
94 HA2 GLY 13 HA2 GLY 13 105.194 -1.373 1.509
95 HA3 GLY 13 HA3 GLY 13 106.207 -0.025 1.001
96 HA PRO 14 HA PRO 14 108.682 -3.668 2.760
97 HB2 PRO 14 HB2 PRO 14 109.722 -4.799 0.493
98 HB3 PRO 14 HB3 PRO 14 108.097 -5.194 1.132
99 HG2 PRO 14 HG2 PRO 14 108.809 -3.209 -1.042
100 HG3 PRO 14 HG3 PRO 14 107.561 -4.496 -1.095
101 HD2 PRO 14 HD2 PRO 14 106.916 -1.923 -0.487
102 HD3 PRO 14 HD3 PRO 14 106.126 -3.291 0.347
103 H LYS 15 H LYS 15 110.840 -3.649 3.201
104 HA LYS 15 HA LYS 15 112.435 -1.327 2.796
105 HB2 LYS 15 HB2 LYS 15 112.595 -2.955 4.686
106 HB3 LYS 15 HB3 LYS 15 113.246 -4.169 3.578
107 HG2 LYS 15 HG2 LYS 15 115.234 -2.821 3.188
108 HG3 LYS 15 HG3 LYS 15 114.563 -1.477 4.143
109 HD2 LYS 15 HD2 LYS 15 114.595 -2.898 6.174
110 HD3 LYS 15 HD3 LYS 15 115.146 -4.275 5.216
111 HE2 LYS 15 HE2 LYS 15 117.036 -3.414 6.381
112 HE3 LYS 15 HE3 LYS 15 117.251 -3.072 4.666
113 HZ1 LYS 15 HZ1 LYS 15 116.262 -1.088 6.661
114 HZ2 LYS 15 HZ2 LYS 15 117.805 -1.176 6.141
115 HZ3 LYS 15 HZ3 LYS 15 116.628 -0.762 5.083
116 H GLY 16 H GLY 16 114.050 -0.795 1.396
117 HA2 GLY 16 HA2 GLY 16 113.958 -1.844 -1.253
118 HA3 GLY 16 HA3 GLY 16 115.117 -0.669 -0.647
119 HA PRO 17 HA PRO 17 117.203 -4.845 -1.500
120 HB2 PRO 17 HB2 PRO 17 118.331 -4.466 -3.954
121 HB3 PRO 17 HB3 PRO 17 116.630 -4.980 -3.742
122 HG2 PRO 17 HG2 PRO 17 117.681 -2.178 -4.222
123 HG3 PRO 17 HG3 PRO 17 116.351 -3.018 -5.082
124 HD2 PRO 17 HD2 PRO 17 115.885 -1.282 -3.018
125 HD3 PRO 17 HD3 PRO 17 114.874 -2.736 -3.273
126 H LYS 18 H LYS 18 119.443 -5.278 -1.354
127 HA LYS 18 HA LYS 18 121.008 -3.401 0.099
128 HB2 LYS 18 HB2 LYS 18 121.085 -5.894 0.266
129 HB3 LYS 18 HB3 LYS 18 121.786 -5.977 -1.353
130 HG2 LYS 18 HG2 LYS 18 123.817 -4.885 -0.606
131 HG3 LYS 18 HG3 LYS 18 123.119 -4.563 0.997
132 HD2 LYS 18 HD2 LYS 18 123.053 -6.921 1.524
133 HD3 LYS 18 HD3 LYS 18 123.440 -7.368 -0.155
134 HE2 LYS 18 HE2 LYS 18 125.641 -6.288 0.035
135 HE3 LYS 18 HE3 LYS 18 125.298 -5.822 1.712
136 HZ1 LYS 18 HZ1 LYS 18 125.316 -8.647 0.782
137 HZ2 LYS 18 HZ2 LYS 18 126.638 -7.910 1.383
138 HZ3 LYS 18 HZ3 LYS 18 125.305 -8.125 2.338
139 H GLY 19 H GLY 19 122.882 -2.283 -0.311
140 HA2 GLY 19 HA2 GLY 19 123.189 -1.123 -2.966
141 HA3 GLY 19 HA3 GLY 19 124.086 -0.708 -1.516
142 HA PRO 20 HA PRO 20 126.754 -3.170 -4.538
143 HB2 PRO 20 HB2 PRO 20 128.236 -1.235 -5.750
144 HB3 PRO 20 HB3 PRO 20 126.559 -1.609 -6.250
145 HG2 PRO 20 HG2 PRO 20 127.489 0.591 -4.373
146 HG3 PRO 20 HG3 PRO 20 126.406 0.741 -5.794
147 HD2 PRO 20 HD2 PRO 20 125.422 0.487 -3.258
148 HD3 PRO 20 HD3 PRO 20 124.611 -0.269 -4.658
149 H LYS 21 H LYS 21 128.923 -3.787 -4.329
150 HA LYS 21 HA LYS 21 130.259 -3.467 -1.843
151 HB2 LYS 21 HB2 LYS 21 130.488 -5.394 -3.418
152 HB3 LYS 21 HB3 LYS 21 131.335 -4.349 -4.560
153 HG2 LYS 21 HG2 LYS 21 133.188 -4.055 -2.956
154 HG3 LYS 21 HG3 LYS 21 132.327 -5.042 -1.756
155 HD2 LYS 21 HD2 LYS 21 132.485 -7.012 -3.208
156 HD3 LYS 21 HD3 LYS 21 133.095 -6.024 -4.537
157 HE2 LYS 21 HE2 LYS 21 134.965 -7.171 -3.666
158 HE3 LYS 21 HE3 LYS 21 135.136 -5.479 -3.207
159 HZ1 LYS 21 HZ1 LYS 21 134.138 -7.635 -1.407
160 HZ2 LYS 21 HZ2 LYS 21 135.668 -7.054 -1.418
161 HZ3 LYS 21 HZ3 LYS 21 134.424 -6.077 -0.947
162 H GLY 22 H GLY 22 131.999 -2.313 -1.141
163 HA2 GLY 22 HA2 GLY 22 132.421 0.327 -2.222
164 HA3 GLY 22 HA3 GLY 22 133.267 -0.394 -0.859
165 HA PRO 23 HA PRO 23 136.086 -0.111 -4.663
166 HB2 PRO 23 HB2 PRO 23 137.453 2.211 -4.273
167 HB3 PRO 23 HB3 PRO 23 135.823 2.171 -5.011
168 HG2 PRO 23 HG2 PRO 23 136.536 2.711 -2.111
169 HG3 PRO 23 HG3 PRO 23 135.477 3.684 -3.184
170 HD2 PRO 23 HD2 PRO 23 134.459 1.834 -1.448
171 HD3 PRO 23 HD3 PRO 23 133.736 2.104 -3.060
172 H LYS 24 H LYS 24 138.337 -0.505 -4.749
173 HA LYS 24 HA LYS 24 139.520 -1.940 -2.610
174 HB2 LYS 24 HB2 LYS 24 140.016 -2.223 -5.043
175 HB3 LYS 24 HB3 LYS 24 140.764 -0.628 -5.077
176 HG2 LYS 24 HG2 LYS 24 142.576 -1.350 -3.649
177 HG3 LYS 24 HG3 LYS 24 141.790 -2.914 -3.340
178 HD2 LYS 24 HD2 LYS 24 142.058 -3.582 -5.655
179 HD3 LYS 24 HD3 LYS 24 142.603 -1.955 -6.121
180 HE2 LYS 24 HE2 LYS 24 144.603 -2.184 -4.710
181 HE3 LYS 24 HE3 LYS 24 144.080 -3.794 -4.184
182 HZ1 LYS 24 HZ1 LYS 24 144.669 -3.070 -7.012
183 HZ2 LYS 24 HZ2 LYS 24 145.723 -3.828 -6.019
184 HZ3 LYS 24 HZ3 LYS 24 144.322 -4.574 -6.456
185 H GLY 25 H GLY 25 141.066 -1.530 -1.099
186 HA2 GLY 25 HA2 GLY 25 141.283 1.144 -0.033
187 HA3 GLY 25 HA3 GLY 25 142.086 -0.302 0.569
188 HA PRO 26 HA PRO 26 145.086 2.635 -1.634
189 HB2 PRO 26 HB2 PRO 26 146.303 3.929 0.436
190 HB3 PRO 26 HB3 PRO 26 144.722 4.445 -0.227
191 HG2 PRO 26 HG2 PRO 26 145.239 2.689 2.191
192 HG3 PRO 26 HG3 PRO 26 144.187 4.139 2.090
193 HD2 PRO 26 HD2 PRO 26 143.176 1.617 1.840
194 HD3 PRO 26 HD3 PRO 26 142.539 2.975 0.867
195 H LYS 27 H LYS 27 147.344 2.418 -1.841
196 HA LYS 27 HA LYS 27 148.546 -0.092 -1.207
197 HB2 LYS 27 HB2 LYS 27 149.162 1.347 -3.156
198 HB3 LYS 27 HB3 LYS 27 149.732 2.606 -2.071
199 HG2 LYS 27 HG2 LYS 27 151.644 1.509 -1.486
200 HG3 LYS 27 HG3 LYS 27 150.981 -0.113 -1.802
201 HD2 LYS 27 HD2 LYS 27 151.524 1.846 -4.056
202 HD3 LYS 27 HD3 LYS 27 152.792 0.790 -3.403
203 HE2 LYS 27 HE2 LYS 27 151.495 -1.213 -3.857
204 HE3 LYS 27 HE3 LYS 27 150.107 -0.254 -4.399
205 HZ1 LYS 27 HZ1 LYS 27 152.756 -0.312 -5.764
206 HZ2 LYS 27 HZ2 LYS 27 151.404 -1.060 -6.293
207 HZ3 LYS 27 HZ3 LYS 27 151.465 0.570 -6.253
208 H GLY 28 H GLY 28 150.011 -0.773 0.286
209 HA2 GLY 28 HA2 GLY 28 149.598 0.201 2.904
210 HA3 GLY 28 HA3 GLY 28 150.718 -1.072 2.445
211 HA PRO 29 HA PRO 29 153.152 2.662 4.007
212 HB2 PRO 29 HB2 PRO 29 153.565 2.057 6.621
213 HB3 PRO 29 HB3 PRO 29 152.011 2.738 6.058
214 HG2 PRO 29 HG2 PRO 29 152.696 -0.188 6.512
215 HG3 PRO 29 HG3 PRO 29 151.300 0.728 7.169
216 HD2 PRO 29 HD2 PRO 29 151.127 -0.785 4.892
217 HD3 PRO 29 HD3 PRO 29 150.209 0.739 5.092
218 H LYS 30 H LYS 30 155.407 2.551 5.151
219 HA LYS 30 HA LYS 30 156.707 -0.075 5.122
220 HB2 LYS 30 HB2 LYS 30 158.384 0.311 3.575
221 HB3 LYS 30 HB3 LYS 30 156.992 1.036 2.784
222 HG2 LYS 30 HG2 LYS 30 157.810 3.296 3.712
223 HG3 LYS 30 HG3 LYS 30 159.277 2.449 4.227
224 HD2 LYS 30 HD2 LYS 30 159.520 1.652 1.807
225 HD3 LYS 30 HD3 LYS 30 158.268 2.820 1.380
226 HE2 LYS 30 HE2 LYS 30 160.936 3.444 2.745
227 HE3 LYS 30 HE3 LYS 30 160.615 3.624 1.020
228 HZ1 LYS 30 HZ1 LYS 30 159.261 5.171 3.173
229 HZ2 LYS 30 HZ2 LYS 30 160.391 5.738 2.146
230 HZ3 LYS 30 HZ3 LYS 30 158.925 5.311 1.565
231 H GLY 31 H GLY 31 159.058 0.130 5.935
232 HA2 GLY 31 HA2 GLY 31 159.846 2.328 7.588
233 HA3 GLY 31 HA3 GLY 31 159.039 1.116 8.585
234 HN1 NH2 32 HN1 NH2 32 161.455 1.438 9.442
235 HN2 NH2 32 HN2 NH2 32 162.578 0.230 8.847
236 H1 ACE 33 H1 ACE 33 74.562 -1.123 -0.882
237 H2 ACE 33 H2 ACE 33 75.442 0.235 -1.613
238 H3 ACE 33 H3 ACE 33 76.334 -1.187 -1.015
239 H ASP 34 H ASP 34 74.890 -1.548 1.386
240 HA ASP 34 HA ASP 34 74.916 0.797 3.031
241 HB2 ASP 34 HB2 ASP 34 73.608 -1.331 3.384
242 HB3 ASP 34 HB3 ASP 34 75.095 -2.092 3.941
243 HA HYP 35 HA HYP 35 79.346 -0.710 4.509
244 HB2 HYP 35 HB2 HYP 35 80.397 -1.462 1.786
245 HB3 HYP 35 HB3 HYP 35 80.877 -2.093 3.386
246 HG HYP 35 HG HYP 35 79.253 -3.508 1.732
247 HD22 HYP 35 HD22 HYP 35 77.648 -1.866 1.256
248 HD23 HYP 35 HD23 HYP 35 76.847 -2.655 2.642
249 HD1 HYP 35 HD1 HYP 35 78.300 -4.414 3.585
250 H GLY 36 H GLY 36 81.286 0.590 4.398
251 HA2 GLY 36 HA2 GLY 36 81.029 3.135 2.967
252 HA3 GLY 36 HA3 GLY 36 82.242 2.691 4.159
253 H ASP 37 H ASP 37 83.210 4.128 2.385
254 HA ASP 37 HA ASP 37 84.058 2.998 -0.099
255 HB2 ASP 37 HB2 ASP 37 84.855 5.433 1.542
256 HB3 ASP 37 HB3 ASP 37 85.547 5.090 -0.035
257 HA HYP 38 HA HYP 38 87.892 0.979 1.008
258 HB2 HYP 38 HB2 HYP 38 89.505 1.794 -1.204
259 HB3 HYP 38 HB3 HYP 38 88.534 0.317 -1.033
260 HG HYP 38 HG HYP 38 87.972 2.782 -2.575
261 HD22 HYP 38 HD22 HYP 38 86.042 3.437 -1.601
262 HD23 HYP 38 HD23 HYP 38 85.445 1.760 -1.468
263 HD1 HYP 38 HD1 HYP 38 86.728 1.313 -3.746
264 H GLY 39 H GLY 39 90.035 1.328 1.732
265 HA2 GLY 39 HA2 GLY 39 90.717 4.031 2.647
266 HA3 GLY 39 HA3 GLY 39 91.559 2.537 3.013
267 H ASP 40 H ASP 40 92.885 4.914 2.457
268 HA ASP 40 HA ASP 40 93.766 5.061 -0.281
269 HB2 ASP 40 HB2 ASP 40 94.555 6.415 2.323
270 HB3 ASP 40 HB3 ASP 40 95.344 6.770 0.796
271 HA HYP 41 HA HYP 41 97.396 2.454 -0.363
272 HB2 HYP 41 HB2 HYP 41 98.887 4.801 -1.493
273 HB3 HYP 41 HB3 HYP 41 98.794 3.130 -2.109
274 HG HYP 41 HG HYP 41 97.378 5.218 -3.210
275 HD22 HYP 41 HD22 HYP 41 96.128 5.974 -1.404
276 HD23 HYP 41 HD23 HYP 41 95.021 4.676 -1.933
277 HD1 HYP 41 HD1 HYP 41 97.177 3.130 -4.032
278 H GLY 42 H GLY 42 99.261 1.958 0.743
279 HA2 GLY 42 HA2 GLY 42 99.897 3.368 3.156
280 HA3 GLY 42 HA3 GLY 42 100.733 1.972 2.504
281 H ASP 43 H ASP 43 102.195 3.728 3.878
282 HA ASP 43 HA ASP 43 103.417 5.802 2.277
283 HB2 ASP 43 HB2 ASP 43 104.022 4.510 4.964
284 HB3 ASP 43 HB3 ASP 43 104.958 5.836 4.296
285 HA HYP 44 HA HYP 44 106.609 3.472 0.247
286 HB2 HYP 44 HB2 HYP 44 108.579 5.580 1.074
287 HB3 HYP 44 HB3 HYP 44 108.254 4.917 -0.551
288 HG HYP 44 HG HYP 44 107.325 7.371 0.239
289 HD22 HYP 44 HD22 HYP 44 106.161 6.786 2.188
290 HD23 HYP 44 HD23 HYP 44 104.841 6.603 0.998
291 HD1 HYP 44 HD1 HYP 44 106.785 6.497 -1.789
292 H GLY 45 H GLY 45 108.317 2.052 0.546
293 HA2 GLY 45 HA2 GLY 45 108.986 1.095 3.156
294 HA3 GLY 45 HA3 GLY 45 109.745 0.629 1.649
295 H ASP 46 H ASP 46 111.103 0.797 4.093
296 HA ASP 46 HA ASP 46 112.689 3.206 4.262
297 HB2 ASP 46 HB2 ASP 46 112.856 0.403 5.436
298 HB3 ASP 46 HB3 ASP 46 114.087 1.620 5.730
299 HA HYP 47 HA HYP 47 115.864 2.379 1.211
300 HB2 HYP 47 HB2 HYP 47 117.868 3.021 3.353
301 HB3 HYP 47 HB3 HYP 47 117.748 3.674 1.697
302 HG HYP 47 HG HYP 47 116.949 5.088 3.901
303 HD22 HYP 47 HD22 HYP 47 115.396 3.621 4.856
304 HD23 HYP 47 HD23 HYP 47 114.291 4.484 3.749
305 HD1 HYP 47 HD1 HYP 47 115.574 6.213 2.520
306 H GLY 48 H GLY 48 117.401 0.837 0.577
307 HA2 GLY 48 HA2 GLY 48 117.469 -1.679 1.946
308 HA3 GLY 48 HA3 GLY 48 118.441 -1.221 0.559
309 H ASP 49 H ASP 49 119.459 -2.921 2.400
310 HA ASP 49 HA ASP 49 121.035 -1.706 4.463
311 HB2 ASP 49 HB2 ASP 49 121.120 -4.373 2.992
312 HB3 ASP 49 HB3 ASP 49 122.181 -3.978 4.331
313 HA HYP 50 HA HYP 50 124.553 -0.203 2.192
314 HB2 HYP 50 HB2 HYP 50 126.663 -1.108 3.895
315 HB3 HYP 50 HB3 HYP 50 125.819 0.455 3.940
316 HG HYP 50 HG HYP 50 125.453 -1.961 5.644
317 HD22 HYP 50 HD22 HYP 50 123.216 -2.208 5.449
318 HD23 HYP 50 HD23 HYP 50 122.920 -0.457 5.261
319 HD1 HYP 50 HD1 HYP 50 124.807 0.813 5.971
320 H GLY 51 H GLY 51 126.121 -0.898 0.717
321 HA2 GLY 51 HA2 GLY 51 126.386 -3.693 0.012
322 HA3 GLY 51 HA3 GLY 51 127.375 -2.365 -0.573
323 H ASP 52 H ASP 52 128.529 -4.831 -0.115
324 HA ASP 52 HA ASP 52 129.705 -5.077 2.485
325 HB2 ASP 52 HB2 ASP 52 130.180 -6.314 -0.238
326 HB3 ASP 52 HB3 ASP 52 131.290 -6.616 1.085
327 HA HYP 53 HA HYP 53 133.263 -2.369 2.347
328 HB2 HYP 53 HB2 HYP 53 134.868 -4.735 3.263
329 HB3 HYP 53 HB3 HYP 53 134.820 -3.083 3.937
330 HG HYP 53 HG HYP 53 133.538 -5.193 5.121
331 HD22 HYP 53 HD22 HYP 53 132.195 -5.953 3.360
332 HD23 HYP 53 HD23 HYP 53 131.070 -4.751 4.053
333 HD1 HYP 53 HD1 HYP 53 132.098 -3.672 5.987
334 H GLY 54 H GLY 54 134.964 -1.834 1.005
335 HA2 GLY 54 HA2 GLY 54 135.548 -3.360 -1.380
336 HA3 GLY 54 HA3 GLY 54 136.427 -1.956 -0.777
337 H ASP 55 H ASP 55 137.784 -4.052 -2.004
338 HA ASP 55 HA ASP 55 138.785 -5.934 -0.046
339 HB2 ASP 55 HB2 ASP 55 139.481 -5.260 -2.929
340 HB3 ASP 55 HB3 ASP 55 140.233 -6.553 -2.017
341 HA HYP 56 HA HYP 56 142.332 -3.766 1.522
342 HB2 HYP 56 HB2 HYP 56 143.999 -6.162 0.825
343 HB3 HYP 56 HB3 HYP 56 143.878 -5.288 2.376
344 HG HYP 56 HG HYP 56 142.652 -7.702 1.922
345 HD22 HYP 56 HD22 HYP 56 141.299 -7.221 0.086
346 HD23 HYP 56 HD23 HYP 56 140.173 -6.677 1.361
347 HD1 HYP 56 HD1 HYP 56 141.187 -7.108 3.539
348 H GLY 57 H GLY 57 144.110 -2.542 0.872
349 HA2 GLY 57 HA2 GLY 57 144.781 -2.248 -1.934
350 HA3 GLY 57 HA3 GLY 57 145.618 -1.520 -0.572
351 H ASP 58 H ASP 58 147.193 -2.233 -2.597
352 HA ASP 58 HA ASP 58 148.313 -4.911 -2.257
353 HB2 ASP 58 HB2 ASP 58 148.894 -2.489 -3.980
354 HB3 ASP 58 HB3 ASP 58 150.053 -3.794 -3.877
355 HA HYP 59 HA HYP 59 151.506 -4.283 0.705
356 HB2 HYP 59 HB2 HYP 59 153.556 -5.108 -1.314
357 HB3 HYP 59 HB3 HYP 59 153.307 -5.705 0.350
358 HG HYP 59 HG HYP 59 152.494 -7.083 -1.891
359 HD22 HYP 59 HD22 HYP 59 151.010 -5.615 -2.891
360 HD23 HYP 59 HD23 HYP 59 149.855 -6.307 -1.721
361 HD1 HYP 59 HD1 HYP 59 151.023 -8.114 -0.526
362 H GLY 60 H GLY 60 153.037 -2.823 1.435
363 HA2 GLY 60 HA2 GLY 60 152.969 -0.330 0.158
364 HA3 GLY 60 HA3 GLY 60 153.977 -0.645 1.527
365 H ASP 61 H ASP 61 154.478 1.059 -0.639
366 HA ASP 61 HA ASP 61 157.213 0.230 -1.377
367 HB2 ASP 61 HB2 ASP 61 155.038 -0.168 -3.094
368 HB3 ASP 61 HB3 ASP 61 155.532 1.427 -3.572
369 HA HYP 62 HA HYP 62 157.173 4.903 -1.853
370 HB2 HYP 62 HB2 HYP 62 155.026 6.525 -1.542
371 HB3 HYP 62 HB3 HYP 62 155.351 5.625 -3.050
372 HG HYP 62 HG HYP 62 153.397 4.934 -0.836
373 HD22 HYP 62 HD22 HYP 62 153.860 2.697 -0.983
374 HD23 HYP 62 HD23 HYP 62 154.199 2.790 -2.732
375 HD1 HYP 62 HD1 HYP 62 152.613 5.805 -2.815
376 H GLY 63 H GLY 63 154.687 4.223 0.679
377 HA2 GLY 63 HA2 GLY 63 155.990 4.315 3.020
378 HA3 GLY 63 HA3 GLY 63 155.977 6.035 2.613
379 HN1 NH2 64 HN1 NH2 64 154.753 5.603 4.888
380 HN2 NH2 64 HN2 NH2 64 153.009 5.569 4.720
381 H1 ACE 65 H1 ACE 65 86.218 -5.893 11.218
382 H2 ACE 65 H2 ACE 65 87.142 -4.537 11.900
383 H3 ACE 65 H3 ACE 65 87.748 -5.398 10.464
384 HA PRO 66 HA PRO 66 85.583 -1.305 9.347
385 HB2 PRO 66 HB2 PRO 66 87.833 -1.640 7.350
386 HB3 PRO 66 HB3 PRO 66 87.111 -0.129 7.992
387 HG2 PRO 66 HG2 PRO 66 89.394 -1.105 9.071
388 HG3 PRO 66 HG3 PRO 66 88.088 -0.514 10.152
389 HD2 PRO 66 HD2 PRO 66 88.808 -3.351 9.410
390 HD3 PRO 66 HD3 PRO 66 88.319 -2.680 10.995
391 HA HYP 67 HA HYP 67 83.115 -3.565 6.225
392 HB2 HYP 67 HB2 HYP 67 81.705 -0.899 6.238
393 HB3 HYP 67 HB3 HYP 67 81.005 -2.540 6.191
394 HG HYP 67 HG HYP 67 81.079 -1.124 8.509
395 HD22 HYP 67 HD22 HYP 67 83.360 -0.496 8.547
396 HD23 HYP 67 HD23 HYP 67 83.459 -2.013 9.482
397 HD1 HYP 67 HD1 HYP 67 81.361 -3.138 9.614
398 H GLY 68 H GLY 68 84.183 -0.112 5.751
399 HA2 GLY 68 HA2 GLY 68 84.502 -0.348 2.883
400 HA3 GLY 68 HA3 GLY 68 85.220 0.865 3.939
401 HA PRO 69 HA PRO 69 87.961 -3.103 3.271
402 HB2 PRO 69 HB2 PRO 69 89.067 -2.639 0.653
403 HB3 PRO 69 HB3 PRO 69 88.050 -3.983 1.226
404 HG2 PRO 69 HG2 PRO 69 87.292 -1.731 -0.464
405 HG3 PRO 69 HG3 PRO 69 86.323 -3.154 0.001
406 HD2 PRO 69 HD2 PRO 69 86.070 -0.457 0.966
407 HD3 PRO 69 HD3 PRO 69 85.143 -1.898 1.463
408 HA HYP 70 HA HYP 70 91.436 -0.385 4.450
409 HB2 HYP 70 HB2 HYP 70 93.032 -2.910 4.154
410 HB3 HYP 70 HB3 HYP 70 93.031 -1.738 5.497
411 HG HYP 70 HG HYP 70 91.759 -4.168 5.630
412 HD22 HYP 70 HD22 HYP 70 90.271 -4.049 3.839
413 HD23 HYP 70 HD23 HYP 70 89.251 -3.216 5.050
414 HD1 HYP 70 HD1 HYP 70 90.422 -3.236 7.189
415 H GLY 71 H GLY 71 93.256 0.588 3.477
416 HA2 GLY 71 HA2 GLY 71 93.380 0.478 0.597
417 HA3 GLY 71 HA3 GLY 71 94.420 1.420 1.656
418 HA PRO 72 HA PRO 72 96.596 -2.392 -0.174
419 HB2 PRO 72 HB2 PRO 72 97.881 -1.428 -2.390
420 HB3 PRO 72 HB3 PRO 72 96.176 -1.974 -2.403
421 HG2 PRO 72 HG2 PRO 72 97.221 0.857 -2.110
422 HG3 PRO 72 HG3 PRO 72 95.954 0.260 -3.231
423 HD2 PRO 72 HD2 PRO 72 95.327 1.425 -0.843
424 HD3 PRO 72 HD3 PRO 72 94.377 0.055 -1.492
425 HA HYP 73 HA HYP 73 100.573 -1.412 1.721
426 HB2 HYP 73 HB2 HYP 73 101.868 -2.853 -0.573
427 HB3 HYP 73 HB3 HYP 73 102.132 -3.065 1.178
428 HG HYP 73 HG HYP 73 100.648 -4.811 -0.334
429 HD22 HYP 73 HD22 HYP 73 98.978 -3.425 -1.202
430 HD23 HYP 73 HD23 HYP 73 98.206 -3.794 0.361
431 HD1 HYP 73 HD1 HYP 73 99.613 -5.376 1.587
432 H GLY 74 H GLY 74 102.281 0.058 1.563
433 HA2 GLY 74 HA2 GLY 74 102.261 1.991 -0.590
434 HA3 GLY 74 HA3 GLY 74 103.408 1.923 0.741
435 HA PRO 75 HA PRO 75 105.311 0.515 -3.350
436 HB2 PRO 75 HB2 PRO 75 106.963 2.870 -3.610
437 HB3 PRO 75 HB3 PRO 75 105.681 2.276 -4.696
438 HG2 PRO 75 HG2 PRO 75 105.558 4.566 -2.988
439 HG3 PRO 75 HG3 PRO 75 104.224 3.826 -3.907
440 HD2 PRO 75 HD2 PRO 75 104.809 3.629 -1.018
441 HD3 PRO 75 HD3 PRO 75 103.289 3.339 -1.904
442 HA HYP 76 HA HYP 76 109.061 -0.917 -1.287
443 HB2 HYP 76 HB2 HYP 76 110.498 -0.472 -3.886
444 HB3 HYP 76 HB3 HYP 76 110.475 -1.924 -2.853
445 HG HYP 76 HG HYP 76 109.031 -1.708 -5.188
446 HD22 HYP 76 HD22 HYP 76 107.678 0.134 -4.775
447 HD23 HYP 76 HD23 HYP 76 106.658 -1.104 -3.985
448 HD1 HYP 76 HD1 HYP 76 108.936 -3.583 -3.940
449 H GLY 77 H GLY 77 111.025 -0.203 -0.388
450 HA2 GLY 77 HA2 GLY 77 111.708 2.642 -0.537
451 HA3 GLY 77 HA3 GLY 77 112.558 1.397 0.370
452 HA PRO 78 HA PRO 78 114.782 2.536 -3.673
453 HB2 PRO 78 HB2 PRO 78 116.698 4.318 -2.871
454 HB3 PRO 78 HB3 PRO 78 115.019 4.802 -3.258
455 HG2 PRO 78 HG2 PRO 78 116.199 4.201 -0.525
456 HG3 PRO 78 HG3 PRO 78 115.253 5.642 -1.025
457 HD2 PRO 78 HD2 PRO 78 114.079 3.522 0.227
458 HD3 PRO 78 HD3 PRO 78 113.236 4.417 -1.073
459 HA HYP 79 HA HYP 79 118.233 -0.285 -2.974
460 HB2 HYP 79 HB2 HYP 79 119.927 1.633 -4.542
461 HB3 HYP 79 HB3 HYP 79 119.754 -0.132 -4.738
462 HG HYP 79 HG HYP 79 118.541 1.678 -6.406
463 HD22 HYP 79 HD22 HYP 79 117.262 2.932 -4.908
464 HD23 HYP 79 HD23 HYP 79 116.087 1.621 -5.191
465 HD1 HYP 79 HD1 HYP 79 117.042 0.059 -6.852
466 H GLY 80 H GLY 80 119.860 -0.532 -1.496
467 HA2 GLY 80 HA2 GLY 80 120.404 1.507 0.439
468 HA3 GLY 80 HA3 GLY 80 121.204 -0.059 0.321
469 HA PRO 81 HA PRO 81 123.961 3.547 -1.004
470 HB2 PRO 81 HB2 PRO 81 125.504 4.016 1.210
471 HB3 PRO 81 HB3 PRO 81 123.870 4.712 0.989
472 HG2 PRO 81 HG2 PRO 81 124.634 2.217 2.539
473 HG3 PRO 81 HG3 PRO 81 123.610 3.585 3.082
474 HD2 PRO 81 HD2 PRO 81 122.537 1.282 2.071
475 HD3 PRO 81 HD3 PRO 81 121.796 2.881 1.757
476 HA HYP 82 HA HYP 82 127.534 0.966 -2.008
477 HB2 HYP 82 HB2 HYP 82 129.236 3.337 -1.308
478 HB3 HYP 82 HB3 HYP 82 129.282 2.317 -2.770
479 HG HYP 82 HG HYP 82 128.154 4.826 -2.726
480 HD22 HYP 82 HD22 HYP 82 126.539 4.603 -1.068
481 HD23 HYP 82 HD23 HYP 82 125.569 3.990 -2.438
482 HD1 HYP 82 HD1 HYP 82 128.142 3.583 -4.607
483 H GLY 83 H GLY 83 129.070 -0.299 -0.967
484 HA2 GLY 83 HA2 GLY 83 129.409 -0.190 1.922
485 HA3 GLY 83 HA3 GLY 83 130.307 -1.203 0.796
486 HA PRO 84 HA PRO 84 132.752 2.601 2.271
487 HB2 PRO 84 HB2 PRO 84 134.310 1.629 4.310
488 HB3 PRO 84 HB3 PRO 84 132.635 2.215 4.544
489 HG2 PRO 84 HG2 PRO 84 133.564 -0.649 4.152
490 HG3 PRO 84 HG3 PRO 84 132.475 -0.006 5.424
491 HD2 PRO 84 HD2 PRO 84 131.497 -1.177 3.165
492 HD3 PRO 84 HD3 PRO 84 130.686 0.234 3.903
493 HA HYP 85 HA HYP 85 136.493 1.470 -0.041
494 HB2 HYP 85 HB2 HYP 85 137.994 3.049 2.022
495 HB3 HYP 85 HB3 HYP 85 138.096 3.143 0.244
496 HG HYP 85 HG HYP 85 136.764 5.003 1.756
497 HD22 HYP 85 HD22 HYP 85 135.220 3.671 2.894
498 HD23 HYP 85 HD23 HYP 85 134.258 3.957 1.415
499 HD1 HYP 85 HD1 HYP 85 135.553 5.443 -0.086
500 H GLY 86 H GLY 86 138.092 -0.101 0.077
501 HA2 GLY 86 HA2 GLY 86 138.114 -1.902 2.298
502 HA3 GLY 86 HA3 GLY 86 139.230 -1.940 0.934
503 HA PRO 87 HA PRO 87 141.315 -0.444 4.910
504 HB2 PRO 87 HB2 PRO 87 142.748 -2.916 5.335
505 HB3 PRO 87 HB3 PRO 87 141.556 -2.118 6.393
506 HG2 PRO 87 HG2 PRO 87 141.169 -4.523 4.917
507 HG3 PRO 87 HG3 PRO 87 139.926 -3.561 5.749
508 HD2 PRO 87 HD2 PRO 87 140.541 -3.675 2.851
509 HD3 PRO 87 HD3 PRO 87 139.033 -3.226 3.690
510 HA HYP 88 HA HYP 88 145.173 0.380 2.693
511 HB2 HYP 88 HB2 HYP 88 146.544 -0.010 5.337
512 HB3 HYP 88 HB3 HYP 88 146.711 1.332 4.174
513 HG HYP 88 HG HYP 88 145.254 1.542 6.498
514 HD22 HYP 88 HD22 HYP 88 143.706 -0.179 6.250
515 HD23 HYP 88 HD23 HYP 88 142.814 1.098 5.371
516 HD1 HYP 88 HD1 HYP 88 145.344 3.295 5.117
517 H GLY 89 H GLY 89 146.830 -0.818 1.745
518 HA2 GLY 89 HA2 GLY 89 146.805 -3.660 1.965
519 HA3 GLY 89 HA3 GLY 89 148.027 -2.708 1.122
520 HA PRO 90 HA PRO 90 149.655 -4.733 5.064
521 HB2 PRO 90 HB2 PRO 90 151.349 -6.566 3.616
522 HB3 PRO 90 HB3 PRO 90 150.024 -6.922 4.757
523 HG2 PRO 90 HG2 PRO 90 149.962 -7.324 1.939
524 HG3 PRO 90 HG3 PRO 90 148.576 -7.336 3.051
525 HD2 PRO 90 HD2 PRO 90 149.448 -5.174 1.211
526 HD3 PRO 90 HD3 PRO 90 147.826 -5.560 1.849
527 HA HYP 91 HA HYP 91 153.329 -2.195 4.927
528 HB2 HYP 91 HB2 HYP 91 154.748 -4.339 6.481
529 HB3 HYP 91 HB3 HYP 91 154.652 -2.587 6.810
530 HG HYP 91 HG HYP 91 153.167 -4.447 8.189
531 HD22 HYP 91 HD22 HYP 91 151.951 -5.478 6.479
532 HD23 HYP 91 HD23 HYP 91 150.879 -4.086 6.773
533 HD1 HYP 91 HD1 HYP 91 152.961 -2.246 8.639
534 H GLY 92 H GLY 92 155.177 -1.935 3.695
535 HA2 GLY 92 HA2 GLY 92 155.894 -3.756 1.629
536 HA3 GLY 92 HA3 GLY 92 156.823 -2.352 2.152
537 HA PRO 93 HA PRO 93 159.864 -4.793 4.401
538 HB2 PRO 93 HB2 PRO 93 158.338 -4.798 7.017
539 HB3 PRO 93 HB3 PRO 93 160.096 -4.579 6.745
540 HG2 PRO 93 HG2 PRO 93 158.527 -2.418 7.134
541 HG3 PRO 93 HG3 PRO 93 159.745 -2.399 5.812
542 HD2 PRO 93 HD2 PRO 93 156.779 -2.907 5.630
543 HD3 PRO 93 HD3 PRO 93 157.820 -1.916 4.560
544 HA HYP 94 HA HYP 94 158.501 -9.146 4.281
545 HB2 HYP 94 HB2 HYP 94 161.027 -9.506 5.898
546 HB3 HYP 94 HB3 HYP 94 160.435 -10.474 4.518
547 HG HYP 94 HG HYP 94 162.399 -8.610 4.209
548 HD22 HYP 94 HD22 HYP 94 161.384 -6.741 5.201
549 HD23 HYP 94 HD23 HYP 94 160.844 -6.492 3.515
550 HD1 HYP 94 HD1 HYP 94 161.488 -9.667 2.408
551 H GLY 95 H GLY 95 157.563 -10.671 5.696
552 HA2 GLY 95 HA2 GLY 95 157.810 -11.141 8.354
553 HA3 GLY 95 HA3 GLY 95 156.809 -9.687 8.374
554 HN1 NH2 96 HN1 NH2 96 155.506 -10.853 5.695
555 HN2 NH2 96 HN2 NH2 96 154.355 -11.996 6.353
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 72.920 13.560 2.308
2 H2 ACE 1 H2 ACE 1 71.623 12.677 3.145
3 H3 ACE 1 H3 ACE 1 71.532 12.928 1.389
4 HA PRO 2 HA PRO 2 73.765 9.208 0.658
5 HB2 PRO 2 HB2 PRO 2 75.587 9.703 -1.312
6 HB3 PRO 2 HB3 PRO 2 73.828 9.910 -1.560
7 HG2 PRO 2 HG2 PRO 2 75.864 12.049 -0.845
8 HG3 PRO 2 HG3 PRO 2 74.656 12.075 -2.171
9 HD2 PRO 2 HD2 PRO 2 74.188 13.257 0.247
10 HD3 PRO 2 HD3 PRO 2 72.880 12.455 -0.672
11 H LYS 3 H LYS 3 75.779 8.019 0.557
12 HA LYS 3 HA LYS 3 77.596 7.087 1.500
13 HB2 LYS 3 HB2 LYS 3 79.657 8.135 0.886
14 HB3 LYS 3 HB3 LYS 3 78.469 8.401 -0.369
15 HG2 LYS 3 HG2 LYS 3 78.239 10.685 0.111
16 HG3 LYS 3 HG3 LYS 3 78.898 10.540 1.743
17 HD2 LYS 3 HD2 LYS 3 80.599 10.061 -0.734
18 HD3 LYS 3 HD3 LYS 3 80.364 11.661 -0.008
19 HE2 LYS 3 HE2 LYS 3 81.170 10.771 2.190
20 HE3 LYS 3 HE3 LYS 3 81.536 9.223 1.413
21 HZ1 LYS 3 HZ1 LYS 3 82.741 11.820 0.596
22 HZ2 LYS 3 HZ2 LYS 3 83.480 10.726 1.558
23 HZ3 LYS 3 HZ3 LYS 3 83.151 10.341 0.003
24 H GLY 4 H GLY 4 79.734 7.476 2.773
25 HA2 GLY 4 HA2 GLY 4 79.539 9.029 5.237
26 HA3 GLY 4 HA3 GLY 4 79.165 7.333 5.478
27 HA PRO 5 HA PRO 5 83.263 6.793 6.506
28 HB2 PRO 5 HB2 PRO 5 83.836 4.146 6.048
29 HB3 PRO 5 HB3 PRO 5 82.606 4.704 7.221
30 HG2 PRO 5 HG2 PRO 5 82.154 3.826 4.343
31 HG3 PRO 5 HG3 PRO 5 81.309 3.249 5.816
32 HD2 PRO 5 HD2 PRO 5 80.230 5.174 4.288
33 HD3 PRO 5 HD3 PRO 5 80.158 5.309 6.066
34 H LYS 6 H LYS 6 85.231 7.441 5.800
35 HA LYS 6 HA LYS 6 86.329 6.721 3.154
36 HB2 LYS 6 HB2 LYS 6 86.854 8.882 4.319
37 HB3 LYS 6 HB3 LYS 6 87.684 7.969 5.588
38 HG2 LYS 6 HG2 LYS 6 89.323 7.142 3.958
39 HG3 LYS 6 HG3 LYS 6 88.453 7.928 2.627
40 HD2 LYS 6 HD2 LYS 6 88.961 10.126 3.490
41 HD3 LYS 6 HD3 LYS 6 89.613 9.445 5.001
42 HE2 LYS 6 HE2 LYS 6 91.407 8.318 3.766
43 HE3 LYS 6 HE3 LYS 6 90.774 8.917 2.225
44 HZ1 LYS 6 HZ1 LYS 6 91.709 10.696 4.419
45 HZ2 LYS 6 HZ2 LYS 6 92.656 10.221 3.176
46 HZ3 LYS 6 HZ3 LYS 6 91.325 11.153 2.890
47 H GLY 7 H GLY 7 87.912 5.165 2.772
48 HA2 GLY 7 HA2 GLY 7 88.087 2.881 4.558
49 HA3 GLY 7 HA3 GLY 7 88.924 3.084 3.025
50 HA PRO 8 HA PRO 8 91.811 3.659 6.749
51 HB2 PRO 8 HB2 PRO 8 92.967 1.213 7.086
52 HB3 PRO 8 HB3 PRO 8 91.357 1.622 7.753
53 HG2 PRO 8 HG2 PRO 8 91.986 0.162 5.173
54 HG3 PRO 8 HG3 PRO 8 90.841 -0.323 6.462
55 HD2 PRO 8 HD2 PRO 8 90.004 1.003 4.216
56 HD3 PRO 8 HD3 PRO 8 89.264 1.297 5.815
57 H LYS 9 H LYS 9 94.004 4.056 6.722
58 HA LYS 9 HA LYS 9 95.421 4.377 4.251
59 HB2 LYS 9 HB2 LYS 9 95.709 5.753 6.318
60 HB3 LYS 9 HB3 LYS 9 96.401 4.352 7.142
61 HG2 LYS 9 HG2 LYS 9 98.300 4.345 5.557
62 HG3 LYS 9 HG3 LYS 9 97.597 5.727 4.692
63 HD2 LYS 9 HD2 LYS 9 97.856 7.150 6.662
64 HD3 LYS 9 HD3 LYS 9 98.339 5.754 7.653
65 HE2 LYS 9 HE2 LYS 9 100.313 5.407 6.172
66 HE3 LYS 9 HE3 LYS 9 99.884 6.865 5.263
67 HZ1 LYS 9 HZ1 LYS 9 100.462 6.850 8.184
68 HZ2 LYS 9 HZ2 LYS 9 101.588 7.168 7.050
69 HZ3 LYS 9 HZ3 LYS 9 100.293 8.177 7.233
70 H GLY 10 H GLY 10 97.069 3.276 3.296
71 HA2 GLY 10 HA2 GLY 10 97.173 0.404 3.652
72 HA3 GLY 10 HA3 GLY 10 98.099 1.352 2.499
73 HA PRO 11 HA PRO 11 100.764 -0.287 6.082
74 HB2 PRO 11 HB2 PRO 11 102.057 -2.396 4.903
75 HB3 PRO 11 HB3 PRO 11 100.432 -2.532 5.640
76 HG2 PRO 11 HG2 PRO 11 101.111 -2.089 2.712
77 HG3 PRO 11 HG3 PRO 11 100.009 -3.318 3.414
78 HD2 PRO 11 HD2 PRO 11 99.043 -0.980 2.433
79 HD3 PRO 11 HD3 PRO 11 98.370 -1.691 3.926
80 H LYS 12 H LYS 12 102.892 0.202 6.444
81 HA LYS 12 HA LYS 12 104.399 1.875 4.665
82 HB2 LYS 12 HB2 LYS 12 104.568 1.943 7.158
83 HB3 LYS 12 HB3 LYS 12 105.177 0.292 7.173
84 HG2 LYS 12 HG2 LYS 12 107.256 0.919 6.175
85 HG3 LYS 12 HG3 LYS 12 106.662 2.538 5.757
86 HD2 LYS 12 HD2 LYS 12 106.556 3.213 8.048
87 HD3 LYS 12 HD3 LYS 12 106.837 1.577 8.648
88 HE2 LYS 12 HE2 LYS 12 108.883 3.046 6.929
89 HE3 LYS 12 HE3 LYS 12 108.797 3.279 8.678
90 HZ1 LYS 12 HZ1 LYS 12 109.246 0.640 7.380
91 HZ2 LYS 12 HZ2 LYS 12 110.397 1.549 8.120
92 HZ3 LYS 12 HZ3 LYS 12 109.174 0.913 8.995
93 H GLY 13 H GLY 13 106.178 1.535 3.417
94 HA2 GLY 13 HA2 GLY 13 106.227 -0.964 1.992
95 HA3 GLY 13 HA3 GLY 13 107.228 0.446 1.676
96 HA PRO 14 HA PRO 14 109.717 -3.108 3.574
97 HB2 PRO 14 HB2 PRO 14 110.889 -4.261 1.402
98 HB3 PRO 14 HB3 PRO 14 109.212 -4.640 1.901
99 HG2 PRO 14 HG2 PRO 14 110.119 -2.668 -0.216
100 HG3 PRO 14 HG3 PRO 14 108.878 -3.952 -0.368
101 HD2 PRO 14 HD2 PRO 14 108.211 -1.361 0.193
102 HD3 PRO 14 HD3 PRO 14 107.319 -2.736 0.903
103 H LYS 15 H LYS 15 111.939 -3.157 3.987
104 HA LYS 15 HA LYS 15 113.487 -0.787 3.701
105 HB2 LYS 15 HB2 LYS 15 113.747 -2.529 5.484
106 HB3 LYS 15 HB3 LYS 15 114.364 -3.657 4.275
107 HG2 LYS 15 HG2 LYS 15 116.331 -2.234 3.893
108 HG3 LYS 15 HG3 LYS 15 115.691 -1.008 5.011
109 HD2 LYS 15 HD2 LYS 15 115.888 -2.538 6.899
110 HD3 LYS 15 HD3 LYS 15 116.227 -3.894 5.822
111 HE2 LYS 15 HE2 LYS 15 118.291 -3.297 6.806
112 HE3 LYS 15 HE3 LYS 15 118.357 -2.820 5.112
113 HZ1 LYS 15 HZ1 LYS 15 117.822 -0.969 7.385
114 HZ2 LYS 15 HZ2 LYS 15 119.264 -1.149 6.627
115 HZ3 LYS 15 HZ3 LYS 15 117.982 -0.506 5.808
116 H GLY 16 H GLY 16 115.076 -0.137 2.320
117 HA2 GLY 16 HA2 GLY 16 115.003 -1.035 -0.394
118 HA3 GLY 16 HA3 GLY 16 116.119 0.149 0.279
119 HA PRO 17 HA PRO 17 118.348 -3.912 -0.739
120 HB2 PRO 17 HB2 PRO 17 119.435 -3.424 -3.193
121 HB3 PRO 17 HB3 PRO 17 117.758 -4.011 -2.975
122 HG2 PRO 17 HG2 PRO 17 118.689 -1.155 -3.393
123 HG3 PRO 17 HG3 PRO 17 117.384 -2.029 -4.259
124 HD2 PRO 17 HD2 PRO 17 116.871 -0.367 -2.148
125 HD3 PRO 17 HD3 PRO 17 115.922 -1.858 -2.425
126 H LYS 18 H LYS 18 120.561 -4.276 -0.533
127 HA LYS 18 HA LYS 18 122.127 -2.356 0.867
128 HB2 LYS 18 HB2 LYS 18 122.209 -4.852 1.056
129 HB3 LYS 18 HB3 LYS 18 122.964 -4.931 -0.542
130 HG2 LYS 18 HG2 LYS 18 124.924 -3.694 0.311
131 HG3 LYS 18 HG3 LYS 18 124.156 -3.541 1.905
132 HD2 LYS 18 HD2 LYS 18 124.211 -5.954 2.222
133 HD3 LYS 18 HD3 LYS 18 124.739 -6.208 0.542
134 HE2 LYS 18 HE2 LYS 18 126.822 -4.960 0.991
135 HE3 LYS 18 HE3 LYS 18 126.338 -4.722 2.679
136 HZ1 LYS 18 HZ1 LYS 18 126.504 -7.084 3.037
137 HZ2 LYS 18 HZ2 LYS 18 126.684 -7.405 1.438
138 HZ3 LYS 18 HZ3 LYS 18 127.879 -6.641 2.236
139 H GLY 19 H GLY 19 123.997 -1.230 0.378
140 HA2 GLY 19 HA2 GLY 19 124.239 -0.149 -2.311
141 HA3 GLY 19 HA3 GLY 19 125.225 0.263 -0.917
142 HA PRO 20 HA PRO 20 127.597 -2.494 -3.967
143 HB2 PRO 20 HB2 PRO 20 129.017 -0.713 -5.463
144 HB3 PRO 20 HB3 PRO 20 127.311 -1.124 -5.819
145 HG2 PRO 20 HG2 PRO 20 128.356 1.252 -4.243
146 HG3 PRO 20 HG3 PRO 20 127.191 1.262 -5.607
147 HD2 PRO 20 HD2 PRO 20 126.343 1.290 -3.015
148 HD3 PRO 20 HD3 PRO 20 125.467 0.371 -4.270
149 H LYS 21 H LYS 21 129.763 -3.126 -3.824
150 HA LYS 21 HA LYS 21 131.261 -2.523 -1.467
151 HB2 LYS 21 HB2 LYS 21 131.347 -4.670 -2.745
152 HB3 LYS 21 HB3 LYS 21 132.107 -3.832 -4.102
153 HG2 LYS 21 HG2 LYS 21 134.086 -3.342 -2.762
154 HG3 LYS 21 HG3 LYS 21 133.331 -4.035 -1.314
155 HD2 LYS 21 HD2 LYS 21 133.348 -6.257 -2.304
156 HD3 LYS 21 HD3 LYS 21 133.870 -5.603 -3.876
157 HE2 LYS 21 HE2 LYS 21 135.969 -4.790 -2.872
158 HE3 LYS 21 HE3 LYS 21 135.480 -5.405 -1.285
159 HZ1 LYS 21 HZ1 LYS 21 135.854 -7.131 -3.682
160 HZ2 LYS 21 HZ2 LYS 21 137.008 -6.880 -2.555
161 HZ3 LYS 21 HZ3 LYS 21 135.606 -7.646 -2.143
162 H GLY 22 H GLY 22 133.076 -1.352 -1.051
163 HA2 GLY 22 HA2 GLY 22 133.494 1.087 -2.570
164 HA3 GLY 22 HA3 GLY 22 134.333 0.602 -1.104
165 HA PRO 23 HA PRO 23 137.117 0.133 -4.913
166 HB2 PRO 23 HB2 PRO 23 138.534 2.454 -4.967
167 HB3 PRO 23 HB3 PRO 23 136.883 2.329 -5.646
168 HG2 PRO 23 HG2 PRO 23 137.689 3.350 -2.903
169 HG3 PRO 23 HG3 PRO 23 136.619 4.144 -4.105
170 HD2 PRO 23 HD2 PRO 23 135.626 2.643 -2.042
171 HD3 PRO 23 HD3 PRO 23 134.849 2.666 -3.652
172 H LYS 24 H LYS 24 139.364 -0.322 -4.957
173 HA LYS 24 HA LYS 24 140.581 -1.346 -2.604
174 HB2 LYS 24 HB2 LYS 24 141.024 -2.082 -4.951
175 HB3 LYS 24 HB3 LYS 24 141.796 -0.531 -5.288
176 HG2 LYS 24 HG2 LYS 24 143.591 -1.019 -3.705
177 HG3 LYS 24 HG3 LYS 24 142.794 -2.527 -3.207
178 HD2 LYS 24 HD2 LYS 24 143.097 -3.476 -5.434
179 HD3 LYS 24 HD3 LYS 24 143.702 -1.924 -6.060
180 HE2 LYS 24 HE2 LYS 24 145.626 -2.030 -4.515
181 HE3 LYS 24 HE3 LYS 24 145.045 -3.575 -3.869
182 HZ1 LYS 24 HZ1 LYS 24 145.814 -3.122 -6.711
183 HZ2 LYS 24 HZ2 LYS 24 146.778 -3.821 -5.592
184 HZ3 LYS 24 HZ3 LYS 24 145.384 -4.562 -6.054
185 H GLY 25 H GLY 25 142.174 -0.673 -1.244
186 HA2 GLY 25 HA2 GLY 25 142.436 2.153 -0.704
187 HA3 GLY 25 HA3 GLY 25 143.263 0.844 0.131
188 HA PRO 26 HA PRO 26 146.199 3.260 -2.731
189 HB2 PRO 26 HB2 PRO 26 147.417 5.014 -1.032
190 HB3 PRO 26 HB3 PRO 26 145.828 5.351 -1.784
191 HG2 PRO 26 HG2 PRO 26 146.371 4.194 0.969
192 HG3 PRO 26 HG3 PRO 26 145.323 5.591 0.553
193 HD2 PRO 26 HD2 PRO 26 144.283 3.100 0.890
194 HD3 PRO 26 HD3 PRO 26 143.670 4.187 -0.389
195 H LYS 27 H LYS 27 148.511 3.104 -2.839
196 HA LYS 27 HA LYS 27 149.707 0.782 -1.705
197 HB2 LYS 27 HB2 LYS 27 150.335 1.998 -3.846
198 HB3 LYS 27 HB3 LYS 27 151.126 3.227 -2.851
199 HG2 LYS 27 HG2 LYS 27 152.655 1.438 -1.940
200 HG3 LYS 27 HG3 LYS 27 151.817 0.250 -2.945
201 HD2 LYS 27 HD2 LYS 27 153.797 0.797 -4.114
202 HD3 LYS 27 HD3 LYS 27 152.488 1.617 -4.977
203 HE2 LYS 27 HE2 LYS 27 153.070 3.729 -3.675
204 HE3 LYS 27 HE3 LYS 27 154.438 2.856 -2.971
205 HZ1 LYS 27 HZ1 LYS 27 154.044 3.413 -5.873
206 HZ2 LYS 27 HZ2 LYS 27 155.139 4.137 -4.906
207 HZ3 LYS 27 HZ3 LYS 27 155.295 2.551 -5.266
208 H GLY 28 H GLY 28 151.135 0.438 -0.050
209 HA2 GLY 28 HA2 GLY 28 150.967 2.087 2.289
210 HA3 GLY 28 HA3 GLY 28 152.023 0.696 2.072
211 HA PRO 29 HA PRO 29 154.389 4.833 2.105
212 HB2 PRO 29 HB2 PRO 29 155.472 4.813 4.638
213 HB3 PRO 29 HB3 PRO 29 153.872 5.505 4.237
214 HG2 PRO 29 HG2 PRO 29 154.494 2.763 5.344
215 HG3 PRO 29 HG3 PRO 29 153.260 3.930 5.918
216 HD2 PRO 29 HD2 PRO 29 152.609 1.865 4.268
217 HD3 PRO 29 HD3 PRO 29 151.839 3.469 4.090
218 H LYS 30 H LYS 30 156.678 5.114 2.105
219 HA LYS 30 HA LYS 30 157.832 3.208 0.483
220 HB2 LYS 30 HB2 LYS 30 159.139 5.467 2.055
221 HB3 LYS 30 HB3 LYS 30 159.955 4.586 0.763
222 HG2 LYS 30 HG2 LYS 30 158.293 5.321 -0.884
223 HG3 LYS 30 HG3 LYS 30 157.313 6.061 0.378
224 HD2 LYS 30 HD2 LYS 30 158.442 7.865 -0.637
225 HD3 LYS 30 HD3 LYS 30 159.208 7.607 0.921
226 HE2 LYS 30 HE2 LYS 30 160.985 8.023 -0.543
227 HE3 LYS 30 HE3 LYS 30 161.030 6.275 -0.309
228 HZ1 LYS 30 HZ1 LYS 30 159.765 7.635 -2.646
229 HZ2 LYS 30 HZ2 LYS 30 161.257 6.978 -2.665
230 HZ3 LYS 30 HZ3 LYS 30 159.961 6.008 -2.480
231 H GLY 31 H GLY 31 158.366 3.390 3.947
232 HA2 GLY 31 HA2 GLY 31 158.818 1.086 4.889
233 HA3 GLY 31 HA3 GLY 31 160.231 1.029 3.835
234 HN1 NH2 32 HN1 NH2 32 160.391 4.175 4.718
235 HN2 NH2 32 HN2 NH2 32 161.270 4.023 6.225
236 H1 ACE 33 H1 ACE 33 74.631 6.233 2.864
237 H2 ACE 33 H2 ACE 33 74.048 5.627 4.430
238 H3 ACE 33 H3 ACE 33 75.171 7.001 4.377
239 H ASP 34 H ASP 34 74.883 3.618 3.303
240 HA ASP 34 HA ASP 34 77.290 2.746 4.547
241 HB2 ASP 34 HB2 ASP 34 75.357 1.318 4.083
242 HB3 ASP 34 HB3 ASP 34 75.653 1.433 2.352
243 HA HYP 35 HA HYP 35 79.339 2.849 0.081
244 HB2 HYP 35 HB2 HYP 35 78.207 5.522 -0.751
245 HB3 HYP 35 HB3 HYP 35 78.751 4.165 -1.781
246 HG HYP 35 HG HYP 35 76.115 4.596 -1.306
247 HD22 HYP 35 HD22 HYP 35 76.149 4.776 1.034
248 HD23 HYP 35 HD23 HYP 35 75.796 3.035 0.886
249 HD1 HYP 35 HD1 HYP 35 75.796 2.341 -1.460
250 H GLY 36 H GLY 36 81.376 3.942 -0.389
251 HA2 GLY 36 HA2 GLY 36 82.082 6.460 0.837
252 HA3 GLY 36 HA3 GLY 36 82.594 5.103 1.829
253 H ASP 37 H ASP 37 84.319 7.027 0.757
254 HA ASP 37 HA ASP 37 85.556 6.140 -1.698
255 HB2 ASP 37 HB2 ASP 37 86.026 8.397 0.274
256 HB3 ASP 37 HB3 ASP 37 87.055 8.140 -1.123
257 HA HYP 38 HA HYP 38 89.033 3.713 -0.317
258 HB2 HYP 38 HB2 HYP 38 90.788 5.507 -1.967
259 HB3 HYP 38 HB3 HYP 38 90.675 3.727 -1.982
260 HG HYP 38 HG HYP 38 89.551 5.307 -3.923
261 HD22 HYP 38 HD22 HYP 38 88.180 6.694 -2.654
262 HD23 HYP 38 HD23 HYP 38 87.033 5.350 -2.908
263 HD1 HYP 38 HD1 HYP 38 89.294 3.068 -3.977
264 H GLY 39 H GLY 39 90.982 3.642 0.895
265 HA2 GLY 39 HA2 GLY 39 91.661 5.987 2.561
266 HA3 GLY 39 HA3 GLY 39 92.295 4.358 2.707
267 H ASP 40 H ASP 40 94.007 6.439 2.990
268 HA ASP 40 HA ASP 40 95.322 7.221 0.545
269 HB2 ASP 40 HB2 ASP 40 95.833 7.584 3.513
270 HB3 ASP 40 HB3 ASP 40 97.024 8.087 2.330
271 HA HYP 41 HA HYP 41 98.606 4.181 0.096
272 HB2 HYP 41 HB2 HYP 41 100.495 6.501 -0.094
273 HB3 HYP 41 HB3 HYP 41 100.307 5.113 -1.196
274 HG HYP 41 HG HYP 41 99.341 7.629 -1.759
275 HD22 HYP 41 HD22 HYP 41 97.905 8.001 0.031
276 HD23 HYP 41 HD23 HYP 41 96.759 7.122 -1.020
277 HD1 HYP 41 HD1 HYP 41 99.065 5.902 -3.195
278 H GLY 42 H GLY 42 100.279 3.204 1.278
279 HA2 GLY 42 HA2 GLY 42 100.840 4.071 4.005
280 HA3 GLY 42 HA3 GLY 42 101.566 2.715 3.160
281 H ASP 43 H ASP 43 103.057 4.324 4.872
282 HA ASP 43 HA ASP 43 104.556 6.358 3.533
283 HB2 ASP 43 HB2 ASP 43 104.905 4.731 6.072
284 HB3 ASP 43 HB3 ASP 43 106.125 5.873 5.538
285 HA HYP 44 HA HYP 44 107.708 4.013 1.323
286 HB2 HYP 44 HB2 HYP 44 109.675 5.987 2.446
287 HB3 HYP 44 HB3 HYP 44 109.439 5.479 0.753
288 HG HYP 44 HG HYP 44 108.546 7.891 1.702
289 HD22 HYP 44 HD22 HYP 44 107.234 7.182 3.507
290 HD23 HYP 44 HD23 HYP 44 105.989 7.163 2.225
291 HD1 HYP 44 HD1 HYP 44 108.107 7.292 -0.422
292 H GLY 45 H GLY 45 109.359 2.495 1.693
293 HA2 GLY 45 HA2 GLY 45 109.858 1.562 4.395
294 HA3 GLY 45 HA3 GLY 45 110.619 0.986 2.919
295 H ASP 46 H ASP 46 112.095 1.122 5.213
296 HA ASP 46 HA ASP 46 113.616 3.560 5.470
297 HB2 ASP 46 HB2 ASP 46 113.877 0.714 6.506
298 HB3 ASP 46 HB3 ASP 46 115.091 1.938 6.829
299 HA HYP 47 HA HYP 47 116.751 3.017 2.339
300 HB2 HYP 47 HB2 HYP 47 118.803 3.568 4.460
301 HB3 HYP 47 HB3 HYP 47 118.611 4.327 2.856
302 HG HYP 47 HG HYP 47 117.847 5.564 5.179
303 HD22 HYP 47 HD22 HYP 47 116.356 3.997 6.071
304 HD23 HYP 47 HD23 HYP 47 115.199 4.901 5.054
305 HD1 HYP 47 HD1 HYP 47 116.384 6.735 3.922
306 H GLY 48 H GLY 48 118.251 1.544 1.540
307 HA2 GLY 48 HA2 GLY 48 118.714 -0.988 2.896
308 HA3 GLY 48 HA3 GLY 48 119.473 -0.432 1.408
309 H ASP 49 H ASP 49 120.896 -1.878 3.335
310 HA ASP 49 HA ASP 49 122.335 -0.115 5.110
311 HB2 ASP 49 HB2 ASP 49 122.634 -3.027 4.282
312 HB3 ASP 49 HB3 ASP 49 123.616 -2.251 5.508
313 HA HYP 50 HA HYP 50 125.799 1.144 2.619
314 HB2 HYP 50 HB2 HYP 50 127.602 0.108 4.786
315 HB3 HYP 50 HB3 HYP 50 127.597 1.710 4.005
316 HG HYP 50 HG HYP 50 126.575 1.267 6.519
317 HD22 HYP 50 HD22 HYP 50 124.971 -0.361 6.104
318 HD23 HYP 50 HD23 HYP 50 123.960 1.070 5.760
319 HD1 HYP 50 HD1 HYP 50 126.489 3.318 5.597
320 H GLY 51 H GLY 51 127.283 0.342 1.150
321 HA2 GLY 51 HA2 GLY 51 127.584 -2.499 0.689
322 HA3 GLY 51 HA3 GLY 51 128.494 -1.205 -0.078
323 H ASP 52 H ASP 52 129.708 -3.629 0.581
324 HA ASP 52 HA ASP 52 131.063 -3.558 3.097
325 HB2 ASP 52 HB2 ASP 52 131.382 -5.093 0.507
326 HB3 ASP 52 HB3 ASP 52 132.577 -5.231 1.786
327 HA HYP 53 HA HYP 53 134.570 -0.821 2.319
328 HB2 HYP 53 HB2 HYP 53 136.180 -2.962 3.680
329 HB3 HYP 53 HB3 HYP 53 136.148 -1.209 4.005
330 HG HYP 53 HG HYP 53 134.892 -3.031 5.617
331 HD22 HYP 53 HD22 HYP 53 133.507 -4.118 4.075
332 HD23 HYP 53 HD23 HYP 53 132.400 -2.793 4.536
333 HD1 HYP 53 HD1 HYP 53 133.475 -1.367 6.203
334 H GLY 54 H GLY 54 136.260 -0.644 0.832
335 HA2 GLY 54 HA2 GLY 54 136.656 -2.683 -1.180
336 HA3 GLY 54 HA3 GLY 54 137.598 -1.213 -0.977
337 H ASP 55 H ASP 55 138.872 -3.481 -1.818
338 HA ASP 55 HA ASP 55 140.020 -5.028 0.303
339 HB2 ASP 55 HB2 ASP 55 140.581 -4.635 -2.645
340 HB3 ASP 55 HB3 ASP 55 141.691 -5.548 -1.640
341 HA HYP 56 HA HYP 56 143.453 -2.534 1.731
342 HB2 HYP 56 HB2 HYP 56 145.146 -4.989 1.393
343 HB3 HYP 56 HB3 HYP 56 144.975 -3.929 2.817
344 HG HYP 56 HG HYP 56 143.777 -6.401 2.631
345 HD22 HYP 56 HD22 HYP 56 142.480 -6.158 0.718
346 HD23 HYP 56 HD23 HYP 56 141.316 -5.483 1.892
347 HD1 HYP 56 HD1 HYP 56 143.474 -5.146 4.466
348 H GLY 57 H GLY 57 145.204 -1.375 0.918
349 HA2 GLY 57 HA2 GLY 57 145.917 -1.530 -1.898
350 HA3 GLY 57 HA3 GLY 57 146.673 -0.523 -0.674
351 H ASP 58 H ASP 58 148.287 -1.576 -2.579
352 HA ASP 58 HA ASP 58 149.528 -4.056 -1.679
353 HB2 ASP 58 HB2 ASP 58 149.962 -2.082 -3.932
354 HB3 ASP 58 HB3 ASP 58 151.179 -3.284 -3.564
355 HA HYP 59 HA HYP 59 152.641 -2.508 1.005
356 HB2 HYP 59 HB2 HYP 59 154.797 -3.954 -0.463
357 HB3 HYP 59 HB3 HYP 59 154.293 -4.119 1.235
358 HG HYP 59 HG HYP 59 153.743 -5.973 -0.740
359 HD22 HYP 59 HD22 HYP 59 152.445 -4.712 -2.193
360 HD23 HYP 59 HD23 HYP 59 151.141 -5.228 -1.092
361 HD1 HYP 59 HD1 HYP 59 152.094 -6.705 0.605
362 H GLY 60 H GLY 60 154.420 -1.046 1.251
363 HA2 GLY 60 HA2 GLY 60 155.383 0.540 -1.028
364 HA3 GLY 60 HA3 GLY 60 155.988 0.586 0.625
365 H ASP 61 H ASP 61 157.801 0.691 -1.408
366 HA ASP 61 HA ASP 61 159.149 -1.990 -1.371
367 HB2 ASP 61 HB2 ASP 61 157.652 -1.096 -3.560
368 HB3 ASP 61 HB3 ASP 61 159.099 -0.182 -3.834
369 HA HYP 62 HA HYP 62 162.678 0.779 -2.567
370 HB2 HYP 62 HB2 HYP 62 162.765 3.490 -2.361
371 HB3 HYP 62 HB3 HYP 62 161.942 2.630 -3.694
372 HG HYP 62 HG HYP 62 160.728 3.783 -1.168
373 HD22 HYP 62 HD22 HYP 62 159.142 2.122 -1.085
374 HD23 HYP 62 HD23 HYP 62 159.182 1.841 -2.854
375 HD1 HYP 62 HD1 HYP 62 159.971 3.749 -3.938
376 H GLY 63 H GLY 63 161.280 1.186 0.564
377 HA2 GLY 63 HA2 GLY 63 163.397 2.449 1.978
378 HA3 GLY 63 HA3 GLY 63 162.172 1.378 2.660
379 HN1 NH2 64 HN1 NH2 64 163.326 -0.844 0.719
380 HN2 NH2 64 HN2 NH2 64 164.751 -1.391 1.584
381 H1 ACE 65 H1 ACE 65 83.576 0.551 -7.213
382 H2 ACE 65 H2 ACE 65 85.095 0.401 -6.302
383 H3 ACE 65 H3 ACE 65 84.391 -1.024 -7.104
384 HA PRO 66 HA PRO 66 82.240 -1.886 -3.308
385 HB2 PRO 66 HB2 PRO 66 84.073 -2.884 -1.532
386 HB3 PRO 66 HB3 PRO 66 83.604 -3.738 -3.033
387 HG2 PRO 66 HG2 PRO 66 86.017 -1.953 -2.583
388 HG3 PRO 66 HG3 PRO 66 85.975 -3.592 -3.311
389 HD2 PRO 66 HD2 PRO 66 85.985 -1.320 -4.828
390 HD3 PRO 66 HD3 PRO 66 85.064 -2.772 -5.325
391 HA HYP 67 HA HYP 67 82.304 1.537 -0.421
392 HB2 HYP 67 HB2 HYP 67 81.992 -0.469 1.807
393 HB3 HYP 67 HB3 HYP 67 81.057 1.021 1.500
394 HG HYP 67 HG HYP 67 80.076 -1.452 0.877
395 HD22 HYP 67 HD22 HYP 67 81.826 -2.296 -0.431
396 HD23 HYP 67 HD23 HYP 67 80.848 -1.543 -1.722
397 HD1 HYP 67 HD1 HYP 67 78.824 0.225 0.281
398 H GLY 68 H GLY 68 83.654 2.651 0.799
399 HA2 GLY 68 HA2 GLY 68 86.059 3.243 1.124
400 HA3 GLY 68 HA3 GLY 68 85.381 2.750 2.660
401 HA PRO 69 HA PRO 69 88.142 -0.871 1.251
402 HB2 PRO 69 HB2 PRO 69 89.632 -0.795 -1.041
403 HB3 PRO 69 HB3 PRO 69 87.892 -1.212 -1.020
404 HG2 PRO 69 HG2 PRO 69 89.148 1.494 -1.584
405 HG3 PRO 69 HG3 PRO 69 87.922 0.622 -2.563
406 HD2 PRO 69 HD2 PRO 69 87.210 2.545 -0.763
407 HD3 PRO 69 HD3 PRO 69 86.217 1.088 -1.014
408 HA HYP 70 HA HYP 70 92.109 0.523 2.955
409 HB2 HYP 70 HB2 HYP 70 93.367 -1.730 1.415
410 HB3 HYP 70 HB3 HYP 70 93.550 -1.317 3.139
411 HG HYP 70 HG HYP 70 91.995 -3.395 2.251
412 HD22 HYP 70 HD22 HYP 70 90.503 -2.317 0.832
413 HD23 HYP 70 HD23 HYP 70 89.613 -2.077 2.360
414 HD1 HYP 70 HD1 HYP 70 91.077 -1.612 4.286
415 H GLY 71 H GLY 71 93.885 1.768 2.379
416 HA2 GLY 71 HA2 GLY 71 94.202 2.628 -0.381
417 HA3 GLY 71 HA3 GLY 71 95.172 3.135 0.994
418 HA PRO 72 HA PRO 72 97.434 -0.018 -1.747
419 HB2 PRO 72 HB2 PRO 72 99.131 1.959 -3.002
420 HB3 PRO 72 HB3 PRO 72 97.944 0.862 -3.756
421 HG2 PRO 72 HG2 PRO 72 97.691 3.679 -3.471
422 HG3 PRO 72 HG3 PRO 72 96.413 2.527 -3.923
423 HD2 PRO 72 HD2 PRO 72 96.885 3.825 -1.295
424 HD3 PRO 72 HD3 PRO 72 95.385 3.186 -2.015
425 HA HYP 73 HA HYP 73 100.919 -0.163 0.997
426 HB2 HYP 73 HB2 HYP 73 102.900 -1.276 -0.727
427 HB3 HYP 73 HB3 HYP 73 101.769 -2.142 0.331
428 HG HYP 73 HG HYP 73 101.731 -1.844 -2.596
429 HD22 HYP 73 HD22 HYP 73 99.885 -0.595 -2.874
430 HD23 HYP 73 HD23 HYP 73 98.953 -1.633 -1.762
431 HD1 HYP 73 HD1 HYP 73 100.403 -3.660 -2.388
432 H GLY 74 H GLY 74 102.886 0.862 1.561
433 HA2 GLY 74 HA2 GLY 74 103.753 3.176 0.017
434 HA3 GLY 74 HA3 GLY 74 104.508 2.530 1.469
435 HA PRO 75 HA PRO 75 106.714 1.168 -2.546
436 HB2 PRO 75 HB2 PRO 75 108.525 3.144 -3.119
437 HB3 PRO 75 HB3 PRO 75 106.817 3.200 -3.651
438 HG2 PRO 75 HG2 PRO 75 108.045 4.497 -1.195
439 HG3 PRO 75 HG3 PRO 75 107.012 5.264 -2.447
440 HD2 PRO 75 HD2 PRO 75 105.962 4.354 -0.105
441 HD3 PRO 75 HD3 PRO 75 105.074 4.179 -1.646
442 HA HYP 76 HA HYP 76 110.426 -0.394 -0.451
443 HB2 HYP 76 HB2 HYP 76 111.879 0.227 -3.005
444 HB3 HYP 76 HB3 HYP 76 111.884 -1.281 -2.053
445 HG HYP 76 HG HYP 76 110.461 -0.987 -4.388
446 HD22 HYP 76 HD22 HYP 76 109.101 0.831 -3.895
447 HD23 HYP 76 HD23 HYP 76 108.052 -0.445 -3.215
448 HD1 HYP 76 HD1 HYP 76 110.371 -2.919 -3.248
449 H GLY 77 H GLY 77 112.159 0.475 0.695
450 HA2 GLY 77 HA2 GLY 77 112.645 3.319 0.693
451 HA3 GLY 77 HA3 GLY 77 113.609 2.106 1.526
452 HA PRO 78 HA PRO 78 115.743 3.841 -2.344
453 HB2 PRO 78 HB2 PRO 78 117.679 5.383 -0.856
454 HB3 PRO 78 HB3 PRO 78 116.450 5.943 -2.017
455 HG2 PRO 78 HG2 PRO 78 116.432 6.279 0.835
456 HG3 PRO 78 HG3 PRO 78 115.147 6.706 -0.323
457 HD2 PRO 78 HD2 PRO 78 115.266 4.424 1.523
458 HD3 PRO 78 HD3 PRO 78 113.881 5.089 0.618
459 HA HYP 79 HA HYP 79 119.093 0.824 -1.929
460 HB2 HYP 79 HB2 HYP 79 120.742 2.730 -3.562
461 HB3 HYP 79 HB3 HYP 79 120.490 0.980 -3.796
462 HG HYP 79 HG HYP 79 119.238 2.880 -5.325
463 HD22 HYP 79 HD22 HYP 79 118.118 4.138 -3.706
464 HD23 HYP 79 HD23 HYP 79 116.878 2.874 -3.960
465 HD1 HYP 79 HD1 HYP 79 117.616 1.338 -5.680
466 H GLY 80 H GLY 80 120.949 0.503 -0.681
467 HA2 GLY 80 HA2 GLY 80 121.745 2.511 1.228
468 HA3 GLY 80 HA3 GLY 80 122.518 0.949 0.975
469 HA PRO 81 HA PRO 81 125.043 4.556 -0.826
470 HB2 PRO 81 HB2 PRO 81 126.805 5.208 1.169
471 HB3 PRO 81 HB3 PRO 81 125.152 5.887 1.064
472 HG2 PRO 81 HG2 PRO 81 126.093 3.522 2.713
473 HG3 PRO 81 HG3 PRO 81 125.127 4.931 3.259
474 HD2 PRO 81 HD2 PRO 81 123.950 2.569 2.565
475 HD3 PRO 81 HD3 PRO 81 123.185 4.138 2.180
476 HA HYP 82 HA HYP 82 128.523 1.865 -1.936
477 HB2 HYP 82 HB2 HYP 82 130.245 4.313 -1.724
478 HB3 HYP 82 HB3 HYP 82 130.142 3.125 -3.050
479 HG HYP 82 HG HYP 82 128.991 5.608 -3.190
480 HD22 HYP 82 HD22 HYP 82 127.601 5.586 -1.312
481 HD23 HYP 82 HD23 HYP 82 126.468 4.843 -2.477
482 HD1 HYP 82 HD1 HYP 82 127.565 4.721 -4.689
483 H GLY 83 H GLY 83 130.124 0.714 -0.880
484 HA2 GLY 83 HA2 GLY 83 130.719 1.174 1.923
485 HA3 GLY 83 HA3 GLY 83 131.529 0.031 0.854
486 HA PRO 84 HA PRO 84 134.042 4.009 1.611
487 HB2 PRO 84 HB2 PRO 84 135.718 3.370 3.688
488 HB3 PRO 84 HB3 PRO 84 134.062 4.006 3.921
489 HG2 PRO 84 HG2 PRO 84 134.965 1.110 3.949
490 HG3 PRO 84 HG3 PRO 84 133.954 1.962 5.162
491 HD2 PRO 84 HD2 PRO 84 132.842 0.444 3.190
492 HD3 PRO 84 HD3 PRO 84 132.076 1.966 3.730
493 HA HYP 85 HA HYP 85 137.686 2.483 -0.635
494 HB2 HYP 85 HB2 HYP 85 139.266 4.333 1.126
495 HB3 HYP 85 HB3 HYP 85 139.319 4.157 -0.649
496 HG HYP 85 HG HYP 85 138.046 6.249 0.595
497 HD22 HYP 85 HD22 HYP 85 136.552 5.114 1.982
498 HD23 HYP 85 HD23 HYP 85 135.529 5.208 0.520
499 HD1 HYP 85 HD1 HYP 85 138.000 6.061 -1.649
500 H GLY 86 H GLY 86 139.194 0.858 -0.290
501 HA2 GLY 86 HA2 GLY 86 139.269 -0.541 2.196
502 HA3 GLY 86 HA3 GLY 86 140.358 -0.810 0.837
503 HA PRO 87 HA PRO 87 142.481 1.323 4.509
504 HB2 PRO 87 HB2 PRO 87 144.000 -1.019 5.241
505 HB3 PRO 87 HB3 PRO 87 142.809 -0.110 6.205
506 HG2 PRO 87 HG2 PRO 87 142.474 -2.710 5.052
507 HG3 PRO 87 HG3 PRO 87 141.240 -1.711 5.857
508 HD2 PRO 87 HD2 PRO 87 141.624 -2.195 2.975
509 HD3 PRO 87 HD3 PRO 87 140.201 -1.571 3.851
510 HA HYP 88 HA HYP 88 146.191 1.876 1.944
511 HB2 HYP 88 HB2 HYP 88 147.628 2.251 4.553
512 HB3 HYP 88 HB3 HYP 88 147.664 3.278 3.096
513 HG HYP 88 HG HYP 88 146.240 3.936 5.358
514 HD22 HYP 88 HD22 HYP 88 144.823 2.102 5.582
515 HD23 HYP 88 HD23 HYP 88 143.822 3.065 4.454
516 HD1 HYP 88 HD1 HYP 88 146.179 5.299 3.581
517 H GLY 89 H GLY 89 147.971 0.624 1.306
518 HA2 GLY 89 HA2 GLY 89 148.256 -2.066 2.290
519 HA3 GLY 89 HA3 GLY 89 149.361 -1.241 1.195
520 HA PRO 90 HA PRO 90 151.112 -1.745 5.571
521 HB2 PRO 90 HB2 PRO 90 152.878 -3.831 5.272
522 HB3 PRO 90 HB3 PRO 90 151.147 -4.041 5.676
523 HG2 PRO 90 HG2 PRO 90 152.459 -4.188 2.954
524 HG3 PRO 90 HG3 PRO 90 151.318 -5.362 3.688
525 HD2 PRO 90 HD2 PRO 90 150.480 -3.453 1.933
526 HD3 PRO 90 HD3 PRO 90 149.476 -3.919 3.340
527 HA HYP 91 HA HYP 91 154.781 0.651 4.503
528 HB2 HYP 91 HB2 HYP 91 156.215 -0.850 6.676
529 HB3 HYP 91 HB3 HYP 91 156.120 0.911 6.407
530 HG HYP 91 HG HYP 91 154.669 -0.396 8.348
531 HD22 HYP 91 HD22 HYP 91 153.442 -1.925 7.100
532 HD23 HYP 91 HD23 HYP 91 152.343 -0.526 6.927
533 HD1 HYP 91 HD1 HYP 91 154.465 1.830 8.074
534 H GLY 92 H GLY 92 156.651 0.450 3.278
535 HA2 GLY 92 HA2 GLY 92 157.429 -2.053 2.107
536 HA3 GLY 92 HA3 GLY 92 158.338 -0.540 2.029
537 HA PRO 93 HA PRO 93 160.333 -3.875 4.732
538 HB2 PRO 93 HB2 PRO 93 162.578 -4.455 3.226
539 HB3 PRO 93 HB3 PRO 93 160.991 -5.250 3.022
540 HG2 PRO 93 HG2 PRO 93 162.127 -2.927 1.442
541 HG3 PRO 93 HG3 PRO 93 161.339 -4.413 0.821
542 HD2 PRO 93 HD2 PRO 93 159.983 -2.065 1.102
543 HD3 PRO 93 HD3 PRO 93 159.195 -3.640 1.427
544 HA HYP 94 HA HYP 94 163.103 -0.893 6.533
545 HB2 HYP 94 HB2 HYP 94 164.581 -2.379 8.270
546 HB3 HYP 94 HB3 HYP 94 162.818 -2.151 8.446
547 HG HYP 94 HG HYP 94 164.287 -4.503 7.200
548 HD22 HYP 94 HD22 HYP 94 162.522 -4.857 5.725
549 HD23 HYP 94 HD23 HYP 94 161.330 -4.073 6.803
550 HD1 HYP 94 HD1 HYP 94 162.792 -5.631 8.534
551 H GLY 95 H GLY 95 164.365 -3.168 4.335
552 HA2 GLY 95 HA2 GLY 95 166.518 -1.522 3.502
553 HA3 GLY 95 HA3 GLY 95 167.187 -2.796 4.526
554 HN1 NH2 96 HN1 NH2 96 165.555 -5.023 3.765
555 HN2 NH2 96 HN2 NH2 96 165.832 -5.353 2.068
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 72.848 3.208 4.510
2 H2 ACE 1 H2 ACE 1 72.735 2.551 2.863
3 H3 ACE 1 H3 ACE 1 71.885 1.745 4.204
4 HA PRO 2 HA PRO 2 75.470 -0.788 4.748
5 HB2 PRO 2 HB2 PRO 2 75.439 -2.705 2.829
6 HB3 PRO 2 HB3 PRO 2 74.056 -2.472 3.937
7 HG2 PRO 2 HG2 PRO 2 74.381 -1.341 1.131
8 HG3 PRO 2 HG3 PRO 2 73.005 -2.296 1.779
9 HD2 PRO 2 HD2 PRO 2 72.990 0.439 1.734
10 HD3 PRO 2 HD3 PRO 2 72.230 -0.483 3.066
11 H LYS 3 H LYS 3 75.792 1.527 2.511
12 HA LYS 3 HA LYS 3 78.594 0.940 1.747
13 HB2 LYS 3 HB2 LYS 3 78.126 1.369 -0.616
14 HB3 LYS 3 HB3 LYS 3 77.283 -0.070 -0.041
15 HG2 LYS 3 HG2 LYS 3 75.163 1.276 0.120
16 HG3 LYS 3 HG3 LYS 3 76.048 2.684 -0.502
17 HD2 LYS 3 HD2 LYS 3 76.628 1.304 -2.548
18 HD3 LYS 3 HD3 LYS 3 75.535 0.044 -1.941
19 HE2 LYS 3 HE2 LYS 3 73.644 1.618 -2.004
20 HE3 LYS 3 HE3 LYS 3 74.728 2.945 -2.450
21 HZ1 LYS 3 HZ1 LYS 3 75.236 1.763 -4.526
22 HZ2 LYS 3 HZ2 LYS 3 74.208 0.549 -4.129
23 HZ3 LYS 3 HZ3 LYS 3 73.624 2.052 -4.409
24 H GLY 4 H GLY 4 79.763 2.786 1.006
25 HA2 GLY 4 HA2 GLY 4 79.449 5.293 0.538
26 HA3 GLY 4 HA3 GLY 4 78.828 5.153 2.181
27 HA PRO 5 HA PRO 5 82.500 5.851 4.141
28 HB2 PRO 5 HB2 PRO 5 83.144 3.578 5.644
29 HB3 PRO 5 HB3 PRO 5 82.346 5.058 6.187
30 HG2 PRO 5 HG2 PRO 5 81.110 2.488 5.867
31 HG3 PRO 5 HG3 PRO 5 80.316 4.050 6.201
32 HD2 PRO 5 HD2 PRO 5 80.439 2.547 3.712
33 HD3 PRO 5 HD3 PRO 5 79.361 3.898 4.153
34 H LYS 6 H LYS 6 84.514 6.152 3.820
35 HA LYS 6 HA LYS 6 85.846 4.972 1.612
36 HB2 LYS 6 HB2 LYS 6 86.027 7.373 2.275
37 HB3 LYS 6 HB3 LYS 6 86.732 6.913 3.817
38 HG2 LYS 6 HG2 LYS 6 88.779 6.215 2.827
39 HG3 LYS 6 HG3 LYS 6 88.109 6.279 1.187
40 HD2 LYS 6 HD2 LYS 6 87.949 8.666 1.228
41 HD3 LYS 6 HD3 LYS 6 88.307 8.758 2.956
42 HE2 LYS 6 HE2 LYS 6 90.276 7.603 0.934
43 HE3 LYS 6 HE3 LYS 6 90.194 9.333 1.276
44 HZ1 LYS 6 HZ1 LYS 6 90.730 7.269 3.352
45 HZ2 LYS 6 HZ2 LYS 6 91.873 8.208 2.646
46 HZ3 LYS 6 HZ3 LYS 6 90.719 8.893 3.583
47 H GLY 7 H GLY 7 87.661 3.752 1.357
48 HA2 GLY 7 HA2 GLY 7 88.060 1.660 3.281
49 HA3 GLY 7 HA3 GLY 7 88.925 1.867 1.768
50 HA PRO 8 HA PRO 8 91.664 2.949 5.494
51 HB2 PRO 8 HB2 PRO 8 92.925 0.603 6.086
52 HB3 PRO 8 HB3 PRO 8 91.292 1.002 6.701
53 HG2 PRO 8 HG2 PRO 8 91.998 -0.650 4.253
54 HG3 PRO 8 HG3 PRO 8 90.903 -1.099 5.603
55 HD2 PRO 8 HD2 PRO 8 89.926 -0.042 3.298
56 HD3 PRO 8 HD3 PRO 8 89.239 0.410 4.880
57 H LYS 9 H LYS 9 93.943 3.159 5.568
58 HA LYS 9 HA LYS 9 95.359 3.558 3.125
59 HB2 LYS 9 HB2 LYS 9 95.745 4.759 5.284
60 HB3 LYS 9 HB3 LYS 9 96.331 3.258 6.006
61 HG2 LYS 9 HG2 LYS 9 98.242 3.223 4.466
62 HG3 LYS 9 HG3 LYS 9 97.646 4.682 3.648
63 HD2 LYS 9 HD2 LYS 9 97.974 6.008 5.667
64 HD3 LYS 9 HD3 LYS 9 98.326 4.548 6.622
65 HE2 LYS 9 HE2 LYS 9 100.310 4.094 5.202
66 HE3 LYS 9 HE3 LYS 9 100.000 5.576 4.283
67 HZ1 LYS 9 HZ1 LYS 9 100.541 5.513 7.211
68 HZ2 LYS 9 HZ2 LYS 9 101.676 5.814 6.074
69 HZ3 LYS 9 HZ3 LYS 9 100.418 6.860 6.281
70 H GLY 10 H GLY 10 96.941 2.459 2.062
71 HA2 GLY 10 HA2 GLY 10 96.958 -0.438 2.224
72 HA3 GLY 10 HA3 GLY 10 97.869 0.562 1.104
73 HA PRO 11 HA PRO 11 100.583 -1.323 4.515
74 HB2 PRO 11 HB2 PRO 11 101.753 -3.447 3.252
75 HB3 PRO 11 HB3 PRO 11 100.127 -3.531 3.996
76 HG2 PRO 11 HG2 PRO 11 100.810 -3.022 1.081
77 HG3 PRO 11 HG3 PRO 11 99.651 -4.217 1.750
78 HD2 PRO 11 HD2 PRO 11 98.821 -1.784 0.850
79 HD3 PRO 11 HD3 PRO 11 98.088 -2.536 2.296
80 H LYS 12 H LYS 12 102.774 -1.048 4.823
81 HA LYS 12 HA LYS 12 104.292 0.710 3.143
82 HB2 LYS 12 HB2 LYS 12 104.536 0.517 5.624
83 HB3 LYS 12 HB3 LYS 12 105.107 -1.140 5.445
84 HG2 LYS 12 HG2 LYS 12 107.157 -0.435 4.407
85 HG3 LYS 12 HG3 LYS 12 106.575 1.233 4.225
86 HD2 LYS 12 HD2 LYS 12 106.542 1.569 6.618
87 HD3 LYS 12 HD3 LYS 12 106.926 -0.124 6.942
88 HE2 LYS 12 HE2 LYS 12 108.787 1.665 5.320
89 HE3 LYS 12 HE3 LYS 12 108.811 1.675 7.086
90 HZ1 LYS 12 HZ1 LYS 12 109.281 -0.757 5.441
91 HZ2 LYS 12 HZ2 LYS 12 110.441 0.118 6.212
92 HZ3 LYS 12 HZ3 LYS 12 109.314 -0.686 7.079
93 H GLY 13 H GLY 13 106.000 0.410 1.786
94 HA2 GLY 13 HA2 GLY 13 105.933 -1.980 0.175
95 HA3 GLY 13 HA3 GLY 13 106.960 -0.573 -0.073
96 HA PRO 14 HA PRO 14 109.390 -4.318 1.515
97 HB2 PRO 14 HB2 PRO 14 110.461 -5.375 -0.758
98 HB3 PRO 14 HB3 PRO 14 108.789 -5.732 -0.227
99 HG2 PRO 14 HG2 PRO 14 109.693 -3.657 -2.245
100 HG3 PRO 14 HG3 PRO 14 108.414 -4.897 -2.443
101 HD2 PRO 14 HD2 PRO 14 107.818 -2.338 -1.705
102 HD3 PRO 14 HD3 PRO 14 106.930 -3.734 -1.032
103 H LYS 15 H LYS 15 111.603 -4.478 1.862
104 HA LYS 15 HA LYS 15 113.269 -2.171 1.625
105 HB2 LYS 15 HB2 LYS 15 113.443 -3.957 3.365
106 HB3 LYS 15 HB3 LYS 15 113.993 -5.094 2.130
107 HG2 LYS 15 HG2 LYS 15 116.026 -3.766 1.758
108 HG3 LYS 15 HG3 LYS 15 115.456 -2.527 2.900
109 HD2 LYS 15 HD2 LYS 15 115.587 -4.102 4.761
110 HD3 LYS 15 HD3 LYS 15 115.863 -5.450 3.656
111 HE2 LYS 15 HE2 LYS 15 117.955 -4.952 4.640
112 HE3 LYS 15 HE3 LYS 15 118.032 -4.453 2.953
113 HZ1 LYS 15 HZ1 LYS 15 117.574 -2.612 5.251
114 HZ2 LYS 15 HZ2 LYS 15 119.011 -2.852 4.505
115 HZ3 LYS 15 HZ3 LYS 15 117.765 -2.135 3.682
116 H GLY 16 H GLY 16 114.876 -1.595 0.238
117 HA2 GLY 16 HA2 GLY 16 114.767 -2.478 -2.488
118 HA3 GLY 16 HA3 GLY 16 115.938 -1.356 -1.807
119 HA PRO 17 HA PRO 17 117.990 -5.518 -2.799
120 HB2 PRO 17 HB2 PRO 17 119.063 -5.122 -5.270
121 HB3 PRO 17 HB3 PRO 17 117.357 -5.608 -5.030
122 HG2 PRO 17 HG2 PRO 17 118.447 -2.816 -5.495
123 HG3 PRO 17 HG3 PRO 17 117.086 -3.623 -6.338
124 HD2 PRO 17 HD2 PRO 17 116.698 -1.909 -4.234
125 HD3 PRO 17 HD3 PRO 17 115.650 -3.334 -4.504
126 H LYS 18 H LYS 18 120.238 -5.969 -2.714
127 HA LYS 18 HA LYS 18 121.857 -4.157 -1.265
128 HB2 LYS 18 HB2 LYS 18 121.945 -6.655 -1.250
129 HB3 LYS 18 HB3 LYS 18 122.668 -6.626 -2.864
130 HG2 LYS 18 HG2 LYS 18 124.630 -5.446 -1.986
131 HG3 LYS 18 HG3 LYS 18 123.898 -5.369 -0.368
132 HD2 LYS 18 HD2 LYS 18 123.943 -7.826 -0.216
133 HD3 LYS 18 HD3 LYS 18 124.563 -7.937 -1.880
134 HE2 LYS 18 HE2 LYS 18 126.587 -6.661 -1.206
135 HE3 LYS 18 HE3 LYS 18 125.992 -6.585 0.460
136 HZ1 LYS 18 HZ1 LYS 18 126.594 -9.105 -1.008
137 HZ2 LYS 18 HZ2 LYS 18 127.602 -8.419 0.069
138 HZ3 LYS 18 HZ3 LYS 18 126.145 -9.006 0.568
139 H GLY 19 H GLY 19 123.701 -2.985 -1.701
140 HA2 GLY 19 HA2 GLY 19 123.827 -1.640 -4.267
141 HA3 GLY 19 HA3 GLY 19 124.837 -1.340 -2.862
142 HA PRO 20 HA PRO 20 127.338 -3.486 -6.250
143 HB2 PRO 20 HB2 PRO 20 128.654 -1.416 -7.419
144 HB3 PRO 20 HB3 PRO 20 126.954 -1.805 -7.821
145 HG2 PRO 20 HG2 PRO 20 127.964 0.282 -5.858
146 HG3 PRO 20 HG3 PRO 20 126.773 0.498 -7.179
147 HD2 PRO 20 HD2 PRO 20 126.004 0.018 -4.595
148 HD3 PRO 20 HD3 PRO 20 125.094 -0.629 -5.987
149 H LYS 21 H LYS 21 129.594 -3.949 -6.253
150 HA LYS 21 HA LYS 21 130.962 -3.911 -3.793
151 HB2 LYS 21 HB2 LYS 21 131.353 -5.531 -5.656
152 HB3 LYS 21 HB3 LYS 21 132.059 -4.239 -6.630
153 HG2 LYS 21 HG2 LYS 21 133.909 -3.989 -5.057
154 HG3 LYS 21 HG3 LYS 21 133.192 -5.182 -3.958
155 HD2 LYS 21 HD2 LYS 21 133.549 -6.960 -5.588
156 HD3 LYS 21 HD3 LYS 21 134.048 -5.782 -6.826
157 HE2 LYS 21 HE2 LYS 21 135.955 -5.083 -5.407
158 HE3 LYS 21 HE3 LYS 21 135.490 -6.263 -4.173
159 HZ1 LYS 21 HZ1 LYS 21 136.257 -6.983 -6.957
160 HZ2 LYS 21 HZ2 LYS 21 137.283 -7.016 -5.687
161 HZ3 LYS 21 HZ3 LYS 21 135.987 -8.034 -5.727
162 H GLY 22 H GLY 22 132.610 -2.779 -2.875
163 HA2 GLY 22 HA2 GLY 22 132.835 0.038 -3.488
164 HA3 GLY 22 HA3 GLY 22 133.676 -0.838 -2.212
165 HA PRO 23 HA PRO 23 136.666 0.242 -5.723
166 HB2 PRO 23 HB2 PRO 23 137.785 2.585 -4.917
167 HB3 PRO 23 HB3 PRO 23 136.204 2.524 -5.754
168 HG2 PRO 23 HG2 PRO 23 136.719 2.691 -2.766
169 HG3 PRO 23 HG3 PRO 23 135.628 3.713 -3.756
170 HD2 PRO 23 HD2 PRO 23 134.726 1.535 -2.358
171 HD3 PRO 23 HD3 PRO 23 134.029 2.004 -3.937
172 H LYS 24 H LYS 24 138.939 0.017 -5.689
173 HA LYS 24 HA LYS 24 140.139 -1.502 -3.597
174 HB2 LYS 24 HB2 LYS 24 140.796 -1.538 -6.009
175 HB3 LYS 24 HB3 LYS 24 141.388 0.117 -5.866
176 HG2 LYS 24 HG2 LYS 24 143.147 -0.601 -4.314
177 HG3 LYS 24 HG3 LYS 24 142.525 -2.265 -4.332
178 HD2 LYS 24 HD2 LYS 24 143.081 -2.503 -6.697
179 HD3 LYS 24 HD3 LYS 24 143.414 -0.776 -6.835
180 HE2 LYS 24 HE2 LYS 24 145.527 -1.776 -6.795
181 HE3 LYS 24 HE3 LYS 24 145.318 -1.041 -5.206
182 HZ1 LYS 24 HZ1 LYS 24 144.950 -3.934 -5.818
183 HZ2 LYS 24 HZ2 LYS 24 146.272 -3.266 -5.116
184 HZ3 LYS 24 HZ3 LYS 24 144.831 -3.267 -4.313
185 H GLY 25 H GLY 25 141.535 -1.036 -1.961
186 HA2 GLY 25 HA2 GLY 25 141.384 1.537 -0.685
187 HA3 GLY 25 HA3 GLY 25 142.391 0.185 -0.177
188 HA PRO 26 HA PRO 26 144.969 3.669 -2.171
189 HB2 PRO 26 HB2 PRO 26 145.808 5.150 -0.034
190 HB3 PRO 26 HB3 PRO 26 144.227 5.411 -0.831
191 HG2 PRO 26 HG2 PRO 26 144.803 3.761 1.651
192 HG3 PRO 26 HG3 PRO 26 143.564 5.043 1.446
193 HD2 PRO 26 HD2 PRO 26 142.926 2.416 1.155
194 HD3 PRO 26 HD3 PRO 26 142.220 3.656 0.083
195 H LYS 27 H LYS 27 147.274 3.878 -2.153
196 HA LYS 27 HA LYS 27 148.799 1.589 -1.364
197 HB2 LYS 27 HB2 LYS 27 149.341 3.136 -3.255
198 HB3 LYS 27 HB3 LYS 27 149.774 4.394 -2.088
199 HG2 LYS 27 HG2 LYS 27 151.614 3.001 -1.228
200 HG3 LYS 27 HG3 LYS 27 151.125 1.662 -2.279
201 HD2 LYS 27 HD2 LYS 27 151.646 3.038 -4.278
202 HD3 LYS 27 HD3 LYS 27 152.118 4.389 -3.218
203 HE2 LYS 27 HE2 LYS 27 153.846 2.914 -2.162
204 HE3 LYS 27 HE3 LYS 27 153.404 1.613 -3.268
205 HZ1 LYS 27 HZ1 LYS 27 154.433 4.253 -4.179
206 HZ2 LYS 27 HZ2 LYS 27 155.371 2.933 -3.959
207 HZ3 LYS 27 HZ3 LYS 27 154.202 2.923 -5.113
208 H GLY 28 H GLY 28 150.277 1.247 0.259
209 HA2 GLY 28 HA2 GLY 28 149.690 2.271 2.853
210 HA3 GLY 28 HA3 GLY 28 151.078 1.275 2.430
211 HA PRO 29 HA PRO 29 152.222 5.717 3.663
212 HB2 PRO 29 HB2 PRO 29 153.515 5.229 6.054
213 HB3 PRO 29 HB3 PRO 29 151.763 5.550 5.892
214 HG2 PRO 29 HG2 PRO 29 153.159 2.877 6.118
215 HG3 PRO 29 HG3 PRO 29 151.694 3.442 6.981
216 HD2 PRO 29 HD2 PRO 29 151.536 1.856 4.770
217 HD3 PRO 29 HD3 PRO 29 150.340 3.149 5.075
218 H LYS 30 H LYS 30 154.005 6.559 2.889
219 HA LYS 30 HA LYS 30 156.483 4.918 2.487
220 HB2 LYS 30 HB2 LYS 30 156.585 5.668 0.219
221 HB3 LYS 30 HB3 LYS 30 154.975 5.007 0.510
222 HG2 LYS 30 HG2 LYS 30 154.062 7.306 0.752
223 HG3 LYS 30 HG3 LYS 30 155.678 7.969 0.432
224 HD2 LYS 30 HD2 LYS 30 155.681 6.923 -1.813
225 HD3 LYS 30 HD3 LYS 30 154.117 6.171 -1.473
226 HE2 LYS 30 HE2 LYS 30 153.736 8.100 -2.859
227 HE3 LYS 30 HE3 LYS 30 153.061 8.402 -1.257
228 HZ1 LYS 30 HZ1 LYS 30 155.688 9.440 -2.211
229 HZ2 LYS 30 HZ2 LYS 30 154.314 10.314 -2.128
230 HZ3 LYS 30 HZ3 LYS 30 155.009 9.778 -0.757
231 H GLY 31 H GLY 31 155.553 7.555 4.128
232 HA2 GLY 31 HA2 GLY 31 158.126 8.764 4.414
233 HA3 GLY 31 HA3 GLY 31 157.156 9.719 3.288
234 HN1 NH2 32 HN1 NH2 32 157.770 11.196 5.322
235 HN2 NH2 32 HN2 NH2 32 156.501 11.293 6.527
236 H1 ACE 33 H1 ACE 33 84.097 3.490 -5.550
237 H2 ACE 33 H2 ACE 33 83.405 2.507 -6.854
238 H3 ACE 33 H3 ACE 33 83.267 4.278 -6.918
239 H ASP 34 H ASP 34 81.211 2.079 -6.863
240 HA ASP 34 HA ASP 34 79.195 3.284 -5.337
241 HB2 ASP 34 HB2 ASP 34 78.779 1.810 -7.220
242 HB3 ASP 34 HB3 ASP 34 79.407 0.426 -6.325
243 HA HYP 35 HA HYP 35 79.636 0.201 -1.746
244 HB2 HYP 35 HB2 HYP 35 81.944 -1.069 -1.134
245 HB3 HYP 35 HB3 HYP 35 80.770 -1.699 -2.319
246 HG HYP 35 HG HYP 35 83.308 -0.122 -2.869
247 HD22 HYP 35 HD22 HYP 35 82.353 0.845 -4.721
248 HD23 HYP 35 HD23 HYP 35 81.169 -0.468 -4.966
249 HD1 HYP 35 HD1 HYP 35 83.398 -2.393 -3.129
250 H GLY 36 H GLY 36 82.538 2.140 -2.477
251 HA2 GLY 36 HA2 GLY 36 82.057 4.222 -0.668
252 HA3 GLY 36 HA3 GLY 36 83.128 3.043 0.108
253 H ASP 37 H ASP 37 84.046 5.634 -0.429
254 HA ASP 37 HA ASP 37 85.542 5.816 -2.832
255 HB2 ASP 37 HB2 ASP 37 85.710 7.169 -0.123
256 HB3 ASP 37 HB3 ASP 37 86.819 7.523 -1.423
257 HA HYP 38 HA HYP 38 89.009 3.090 -2.007
258 HB2 HYP 38 HB2 HYP 38 90.669 5.141 -3.442
259 HB3 HYP 38 HB3 HYP 38 90.581 3.381 -3.718
260 HG HYP 38 HG HYP 38 89.348 5.195 -5.357
261 HD22 HYP 38 HD22 HYP 38 88.012 6.365 -3.825
262 HD23 HYP 38 HD23 HYP 38 86.870 5.050 -4.230
263 HD1 HYP 38 HD1 HYP 38 87.882 3.544 -5.867
264 H GLY 39 H GLY 39 90.693 2.819 -0.593
265 HA2 GLY 39 HA2 GLY 39 91.435 4.940 1.279
266 HA3 GLY 39 HA3 GLY 39 92.036 3.287 1.242
267 H ASP 40 H ASP 40 93.709 5.395 1.809
268 HA ASP 40 HA ASP 40 95.048 6.453 -0.485
269 HB2 ASP 40 HB2 ASP 40 95.605 6.474 2.505
270 HB3 ASP 40 HB3 ASP 40 96.572 7.351 1.329
271 HA HYP 41 HA HYP 41 98.382 3.533 -1.237
272 HB2 HYP 41 HB2 HYP 41 100.191 5.931 -1.297
273 HB3 HYP 41 HB3 HYP 41 100.030 4.622 -2.495
274 HG HYP 41 HG HYP 41 98.955 7.129 -2.851
275 HD22 HYP 41 HD22 HYP 41 97.562 7.330 -1.007
276 HD23 HYP 41 HD23 HYP 41 96.418 6.471 -2.078
277 HD1 HYP 41 HD1 HYP 41 98.651 5.591 -4.437
278 H GLY 42 H GLY 42 100.071 2.471 -0.180
279 HA2 GLY 42 HA2 GLY 42 100.671 3.136 2.599
280 HA3 GLY 42 HA3 GLY 42 101.322 1.799 1.664
281 H ASP 43 H ASP 43 102.928 3.139 3.446
282 HA ASP 43 HA ASP 43 104.476 5.253 2.300
283 HB2 ASP 43 HB2 ASP 43 104.775 3.387 4.669
284 HB3 ASP 43 HB3 ASP 43 106.061 4.494 4.223
285 HA HYP 44 HA HYP 44 107.484 3.056 -0.226
286 HB2 HYP 44 HB2 HYP 44 109.523 4.902 0.984
287 HB3 HYP 44 HB3 HYP 44 109.220 4.537 -0.736
288 HG HYP 44 HG HYP 44 108.402 6.870 0.427
289 HD22 HYP 44 HD22 HYP 44 107.153 6.032 2.232
290 HD23 HYP 44 HD23 HYP 44 105.853 6.135 1.009
291 HD1 HYP 44 HD1 HYP 44 106.753 6.937 -1.122
292 H GLY 45 H GLY 45 109.098 1.478 -0.067
293 HA2 GLY 45 HA2 GLY 45 109.728 0.329 2.531
294 HA3 GLY 45 HA3 GLY 45 110.339 -0.185 0.965
295 H ASP 46 H ASP 46 111.958 -0.197 3.221
296 HA ASP 46 HA ASP 46 113.591 2.173 3.433
297 HB2 ASP 46 HB2 ASP 46 113.747 -0.681 4.467
298 HB3 ASP 46 HB3 ASP 46 115.045 0.469 4.730
299 HA HYP 47 HA HYP 47 116.626 1.489 0.222
300 HB2 HYP 47 HB2 HYP 47 118.733 1.979 2.305
301 HB3 HYP 47 HB3 HYP 47 118.548 2.732 0.699
302 HG HYP 47 HG HYP 47 117.860 4.023 3.019
303 HD22 HYP 47 HD22 HYP 47 116.357 2.497 3.955
304 HD23 HYP 47 HD23 HYP 47 115.205 3.446 2.973
305 HD1 HYP 47 HD1 HYP 47 117.501 5.001 1.020
306 H GLY 48 H GLY 48 118.104 -0.023 -0.583
307 HA2 GLY 48 HA2 GLY 48 118.423 -2.590 0.705
308 HA3 GLY 48 HA3 GLY 48 119.288 -2.005 -0.716
309 H ASP 49 H ASP 49 120.542 -3.612 1.192
310 HA ASP 49 HA ASP 49 122.050 -2.007 3.074
311 HB2 ASP 49 HB2 ASP 49 122.200 -4.886 2.097
312 HB3 ASP 49 HB3 ASP 49 123.232 -4.223 3.347
313 HA HYP 50 HA HYP 50 125.492 -0.748 0.609
314 HB2 HYP 50 HB2 HYP 50 127.339 -1.973 2.630
315 HB3 HYP 50 HB3 HYP 50 127.353 -0.325 1.947
316 HG HYP 50 HG HYP 50 126.399 -0.898 4.466
317 HD22 HYP 50 HD22 HYP 50 124.715 -2.434 4.012
318 HD23 HYP 50 HD23 HYP 50 123.753 -0.949 3.770
319 HD1 HYP 50 HD1 HYP 50 126.365 1.208 3.657
320 H GLY 51 H GLY 51 126.995 -1.468 -0.903
321 HA2 GLY 51 HA2 GLY 51 127.130 -4.211 -1.728
322 HA3 GLY 51 HA3 GLY 51 128.202 -2.922 -2.233
323 H ASP 52 H ASP 52 129.298 -5.365 -2.072
324 HA ASP 52 HA ASP 52 130.458 -5.975 0.476
325 HB2 ASP 52 HB2 ASP 52 131.102 -6.785 -2.386
326 HB3 ASP 52 HB3 ASP 52 131.864 -7.470 -0.960
327 HA HYP 53 HA HYP 53 133.853 -3.106 0.616
328 HB2 HYP 53 HB2 HYP 53 135.609 -5.395 1.440
329 HB3 HYP 53 HB3 HYP 53 135.384 -3.808 2.226
330 HG HYP 53 HG HYP 53 134.242 -6.103 3.191
331 HD22 HYP 53 HD22 HYP 53 133.034 -6.827 1.319
332 HD23 HYP 53 HD23 HYP 53 131.790 -5.774 2.051
333 HD1 HYP 53 HD1 HYP 53 132.617 -4.776 4.076
334 H GLY 54 H GLY 54 135.592 -2.367 -0.593
335 HA2 GLY 54 HA2 GLY 54 136.293 -3.704 -3.080
336 HA3 GLY 54 HA3 GLY 54 136.990 -2.224 -2.446
337 H ASP 55 H ASP 55 138.647 -3.900 -3.745
338 HA ASP 55 HA ASP 55 139.928 -5.868 -2.110
339 HB2 ASP 55 HB2 ASP 55 140.546 -4.488 -4.734
340 HB3 ASP 55 HB3 ASP 55 141.736 -5.530 -3.974
341 HA HYP 56 HA HYP 56 142.866 -3.567 0.346
342 HB2 HYP 56 HB2 HYP 56 144.954 -5.501 -0.614
343 HB3 HYP 56 HB3 HYP 56 144.556 -5.016 1.056
344 HG HYP 56 HG HYP 56 143.777 -7.421 -0.020
345 HD22 HYP 56 HD22 HYP 56 142.578 -6.729 -1.895
346 HD23 HYP 56 HD23 HYP 56 141.251 -6.669 -0.701
347 HD1 HYP 56 HD1 HYP 56 143.166 -6.880 2.072
348 H GLY 57 H GLY 57 144.413 -1.959 0.175
349 HA2 GLY 57 HA2 GLY 57 145.451 -1.153 -2.455
350 HA3 GLY 57 HA3 GLY 57 145.764 -0.373 -0.919
351 H ASP 58 H ASP 58 147.727 -0.815 -2.853
352 HA ASP 58 HA ASP 58 149.304 -3.152 -2.123
353 HB2 ASP 58 HB2 ASP 58 149.449 -1.005 -4.230
354 HB3 ASP 58 HB3 ASP 58 150.858 -1.990 -3.896
355 HA HYP 59 HA HYP 59 151.974 -1.796 0.899
356 HB2 HYP 59 HB2 HYP 59 154.426 -2.486 -0.693
357 HB3 HYP 59 HB3 HYP 59 153.945 -3.042 0.934
358 HG HYP 59 HG HYP 59 153.703 -4.619 -1.284
359 HD22 HYP 59 HD22 HYP 59 152.420 -3.223 -2.656
360 HD23 HYP 59 HD23 HYP 59 151.105 -4.108 -1.841
361 HD1 HYP 59 HD1 HYP 59 152.007 -5.677 -0.221
362 H GLY 60 H GLY 60 153.426 -0.350 1.749
363 HA2 GLY 60 HA2 GLY 60 153.558 2.262 0.698
364 HA3 GLY 60 HA3 GLY 60 154.480 1.554 2.076
365 H ASP 61 H ASP 61 155.260 0.268 -0.290
366 HA ASP 61 HA ASP 61 158.059 0.623 -0.519
367 HB2 ASP 61 HB2 ASP 61 156.404 -1.042 -2.042
368 HB3 ASP 61 HB3 ASP 61 156.389 0.329 -3.094
369 HA HYP 62 HA HYP 62 158.532 4.944 -1.758
370 HB2 HYP 62 HB2 HYP 62 161.313 3.889 -2.302
371 HB3 HYP 62 HB3 HYP 62 160.834 5.440 -1.550
372 HG HYP 62 HG HYP 62 161.632 3.330 -0.035
373 HD22 HYP 62 HD22 HYP 62 160.273 1.623 -0.887
374 HD23 HYP 62 HD23 HYP 62 159.192 2.208 0.411
375 HD1 HYP 62 HD1 HYP 62 160.720 5.248 0.874
376 H GLY 63 H GLY 63 158.888 2.247 -3.895
377 HA2 GLY 63 HA2 GLY 63 158.768 4.008 -6.313
378 HA3 GLY 63 HA3 GLY 63 159.923 2.678 -6.218
379 HN1 NH2 64 HN1 NH2 64 159.038 1.396 -7.875
380 HN2 NH2 64 HN2 NH2 64 157.432 0.699 -7.784
381 H1 ACE 65 H1 ACE 65 86.259 -2.043 9.177
382 H2 ACE 65 H2 ACE 65 87.310 -2.640 7.869
383 H3 ACE 65 H3 ACE 65 85.987 -3.655 8.478
384 HA PRO 66 HA PRO 66 83.926 0.175 6.176
385 HB2 PRO 66 HB2 PRO 66 86.314 0.893 4.476
386 HB3 PRO 66 HB3 PRO 66 85.002 1.954 5.072
387 HG2 PRO 66 HG2 PRO 66 87.414 1.941 6.311
388 HG3 PRO 66 HG3 PRO 66 85.905 1.953 7.282
389 HD2 PRO 66 HD2 PRO 66 87.701 -0.388 6.619
390 HD3 PRO 66 HD3 PRO 66 86.925 0.042 8.173
391 HA HYP 67 HA HYP 67 83.373 -2.422 2.513
392 HB2 HYP 67 HB2 HYP 67 81.280 -1.151 1.280
393 HB3 HYP 67 HB3 HYP 67 81.137 -2.149 2.750
394 HG HYP 67 HG HYP 67 81.113 0.844 2.495
395 HD22 HYP 67 HD22 HYP 67 82.692 1.221 4.093
396 HD23 HYP 67 HD23 HYP 67 82.021 -0.055 5.146
397 HD1 HYP 67 HD1 HYP 67 79.290 -0.566 3.271
398 H GLY 68 H GLY 68 84.123 1.063 2.152
399 HA2 GLY 68 HA2 GLY 68 84.806 1.023 -0.631
400 HA3 GLY 68 HA3 GLY 68 85.474 2.113 0.586
401 HA PRO 69 HA PRO 69 88.160 -1.682 -0.600
402 HB2 PRO 69 HB2 PRO 69 89.660 -1.009 -2.796
403 HB3 PRO 69 HB3 PRO 69 88.011 -1.698 -2.871
404 HG2 PRO 69 HG2 PRO 69 88.830 1.203 -3.068
405 HG3 PRO 69 HG3 PRO 69 87.683 0.306 -4.107
406 HD2 PRO 69 HD2 PRO 69 86.841 1.882 -2.029
407 HD3 PRO 69 HD3 PRO 69 85.991 0.372 -2.478
408 HA HYP 70 HA HYP 70 91.776 0.012 1.617
409 HB2 HYP 70 HB2 HYP 70 93.154 -2.390 0.461
410 HB3 HYP 70 HB3 HYP 70 93.156 -1.798 2.143
411 HG HYP 70 HG HYP 70 91.668 -3.951 1.314
412 HD22 HYP 70 HD22 HYP 70 90.334 -3.018 -0.354
413 HD23 HYP 70 HD23 HYP 70 89.308 -2.583 1.046
414 HD1 HYP 70 HD1 HYP 70 90.316 -3.522 3.068
415 H GLY 71 H GLY 71 93.720 1.076 1.133
416 HA2 GLY 71 HA2 GLY 71 94.137 1.918 -1.599
417 HA3 GLY 71 HA3 GLY 71 95.137 2.328 -0.215
418 HA PRO 72 HA PRO 72 97.214 -0.833 -3.100
419 HB2 PRO 72 HB2 PRO 72 98.893 0.744 -4.596
420 HB3 PRO 72 HB3 PRO 72 97.178 0.459 -5.021
421 HG2 PRO 72 HG2 PRO 72 98.364 2.800 -3.507
422 HG3 PRO 72 HG3 PRO 72 97.253 2.849 -4.915
423 HD2 PRO 72 HD2 PRO 72 96.333 3.086 -2.362
424 HD3 PRO 72 HD3 PRO 72 95.409 2.187 -3.600
425 HA HYP 73 HA HYP 73 100.813 -1.063 -0.477
426 HB2 HYP 73 HB2 HYP 73 102.730 -2.110 -2.312
427 HB3 HYP 73 HB3 HYP 73 101.661 -3.016 -1.223
428 HG HYP 73 HG HYP 73 101.472 -2.636 -4.144
429 HD22 HYP 73 HD22 HYP 73 99.577 -1.453 -4.296
430 HD23 HYP 73 HD23 HYP 73 98.742 -2.516 -3.133
431 HD1 HYP 73 HD1 HYP 73 101.358 -4.688 -3.215
432 H GLY 74 H GLY 74 102.729 0.046 0.047
433 HA2 GLY 74 HA2 GLY 74 103.520 2.374 -1.506
434 HA3 GLY 74 HA3 GLY 74 104.353 1.712 -0.105
435 HA PRO 75 HA PRO 75 106.348 0.501 -4.273
436 HB2 PRO 75 HB2 PRO 75 108.238 2.441 -4.746
437 HB3 PRO 75 HB3 PRO 75 106.528 2.575 -5.257
438 HG2 PRO 75 HG2 PRO 75 107.814 3.703 -2.749
439 HG3 PRO 75 HG3 PRO 75 106.777 4.558 -3.938
440 HD2 PRO 75 HD2 PRO 75 105.745 3.548 -1.634
441 HD3 PRO 75 HD3 PRO 75 104.831 3.461 -3.168
442 HA HYP 76 HA HYP 76 110.027 -1.376 -2.372
443 HB2 HYP 76 HB2 HYP 76 111.406 -0.760 -4.969
444 HB3 HYP 76 HB3 HYP 76 111.353 -2.297 -4.069
445 HG HYP 76 HG HYP 76 109.857 -1.829 -6.328
446 HD22 HYP 76 HD22 HYP 76 108.637 0.053 -5.715
447 HD23 HYP 76 HD23 HYP 76 107.541 -1.184 -5.033
448 HD1 HYP 76 HD1 HYP 76 109.708 -3.790 -5.219
449 H GLY 77 H GLY 77 111.898 -0.692 -1.319
450 HA2 GLY 77 HA2 GLY 77 112.719 2.104 -1.386
451 HA3 GLY 77 HA3 GLY 77 113.548 0.789 -0.565
452 HA PRO 78 HA PRO 78 115.656 2.055 -4.645
453 HB2 PRO 78 HB2 PRO 78 117.705 3.682 -3.806
454 HB3 PRO 78 HB3 PRO 78 116.050 4.276 -4.138
455 HG2 PRO 78 HG2 PRO 78 117.242 3.487 -1.458
456 HG3 PRO 78 HG3 PRO 78 116.366 4.997 -1.874
457 HD2 PRO 78 HD2 PRO 78 115.093 2.905 -0.690
458 HD3 PRO 78 HD3 PRO 78 114.285 3.875 -1.957
459 HA HYP 79 HA HYP 79 119.048 -0.927 -4.241
460 HB2 HYP 79 HB2 HYP 79 120.676 1.041 -5.820
461 HB3 HYP 79 HB3 HYP 79 120.478 -0.713 -6.079
462 HG HYP 79 HG HYP 79 119.187 1.174 -7.606
463 HD22 HYP 79 HD22 HYP 79 118.025 2.381 -5.988
464 HD23 HYP 79 HD23 HYP 79 116.809 1.101 -6.258
465 HD1 HYP 79 HD1 HYP 79 118.863 -1.046 -7.930
466 H GLY 80 H GLY 80 120.759 -1.236 -2.857
467 HA2 GLY 80 HA2 GLY 80 121.250 0.657 -0.824
468 HA3 GLY 80 HA3 GLY 80 122.182 -0.816 -1.083
469 HA PRO 81 HA PRO 81 124.671 3.078 -2.125
470 HB2 PRO 81 HB2 PRO 81 126.238 2.924 0.302
471 HB3 PRO 81 HB3 PRO 81 125.209 4.258 -0.283
472 HG2 PRO 81 HG2 PRO 81 124.650 2.548 1.922
473 HG3 PRO 81 HG3 PRO 81 123.512 3.636 1.100
474 HD2 PRO 81 HD2 PRO 81 123.773 0.692 0.822
475 HD3 PRO 81 HD3 PRO 81 122.362 1.757 0.582
476 HA HYP 82 HA HYP 82 128.191 0.627 -3.548
477 HB2 HYP 82 HB2 HYP 82 129.901 2.946 -2.715
478 HB3 HYP 82 HB3 HYP 82 129.890 2.058 -4.263
479 HG HYP 82 HG HYP 82 128.750 4.535 -3.970
480 HD22 HYP 82 HD22 HYP 82 127.232 4.150 -2.231
481 HD23 HYP 82 HD23 HYP 82 126.187 3.677 -3.602
482 HD1 HYP 82 HD1 HYP 82 127.397 3.968 -5.696
483 H GLY 83 H GLY 83 129.668 -0.774 -2.629
484 HA2 GLY 83 HA2 GLY 83 129.708 -1.110 0.197
485 HA3 GLY 83 HA3 GLY 83 130.789 -1.920 -0.945
486 HA PRO 84 HA PRO 84 132.864 1.438 1.640
487 HB2 PRO 84 HB2 PRO 84 134.313 -0.492 3.257
488 HB3 PRO 84 HB3 PRO 84 133.277 0.865 3.778
489 HG2 PRO 84 HG2 PRO 84 132.605 -1.876 3.943
490 HG3 PRO 84 HG3 PRO 84 131.457 -0.521 3.946
491 HD2 PRO 84 HD2 PRO 84 132.089 -2.363 1.703
492 HD3 PRO 84 HD3 PRO 84 130.590 -1.480 2.090
493 HA HYP 85 HA HYP 85 136.660 1.153 -0.821
494 HB2 HYP 85 HB2 HYP 85 137.900 2.595 1.504
495 HB3 HYP 85 HB3 HYP 85 138.014 2.971 -0.235
496 HG HYP 85 HG HYP 85 136.408 4.382 1.497
497 HD22 HYP 85 HD22 HYP 85 135.040 2.705 2.356
498 HD23 HYP 85 HD23 HYP 85 134.098 3.094 0.883
499 HD1 HYP 85 HD1 HYP 85 136.419 4.938 -0.667
500 H GLY 86 H GLY 86 138.372 -0.306 -0.865
501 HA2 GLY 86 HA2 GLY 86 138.563 -2.337 1.135
502 HA3 GLY 86 HA3 GLY 86 139.719 -2.076 -0.167
503 HA PRO 87 HA PRO 87 141.357 -0.867 4.121
504 HB2 PRO 87 HB2 PRO 87 143.259 -3.029 4.215
505 HB3 PRO 87 HB3 PRO 87 141.906 -2.669 5.316
506 HG2 PRO 87 HG2 PRO 87 142.072 -4.779 3.357
507 HG3 PRO 87 HG3 PRO 87 140.688 -4.347 4.392
508 HD2 PRO 87 HD2 PRO 87 141.037 -3.839 1.537
509 HD3 PRO 87 HD3 PRO 87 139.586 -3.653 2.555
510 HA HYP 88 HA HYP 88 144.890 1.169 2.070
511 HB2 HYP 88 HB2 HYP 88 145.976 1.281 4.866
512 HB3 HYP 88 HB3 HYP 88 145.862 2.586 3.657
513 HG HYP 88 HG HYP 88 144.152 2.375 5.793
514 HD22 HYP 88 HD22 HYP 88 143.234 0.254 5.473
515 HD23 HYP 88 HD23 HYP 88 142.113 1.176 4.425
516 HD1 HYP 88 HD1 HYP 88 142.653 3.525 4.540
517 H GLY 89 H GLY 89 146.965 0.563 1.419
518 HA2 GLY 89 HA2 GLY 89 147.820 -2.135 1.847
519 HA3 GLY 89 HA3 GLY 89 148.777 -0.859 1.100
520 HA PRO 90 HA PRO 90 150.293 -1.927 5.492
521 HB2 PRO 90 HB2 PRO 90 152.316 -3.721 5.029
522 HB3 PRO 90 HB3 PRO 90 150.604 -4.203 5.231
523 HG2 PRO 90 HG2 PRO 90 152.118 -3.734 2.651
524 HG3 PRO 90 HG3 PRO 90 151.110 -5.152 3.093
525 HD2 PRO 90 HD2 PRO 90 150.124 -3.106 1.587
526 HD3 PRO 90 HD3 PRO 90 149.108 -3.930 2.807
527 HA HYP 91 HA HYP 91 153.816 0.899 5.144
528 HB2 HYP 91 HB2 HYP 91 155.310 -1.011 6.912
529 HB3 HYP 91 HB3 HYP 91 155.129 0.756 7.074
530 HG HYP 91 HG HYP 91 153.717 -1.027 8.616
531 HD22 HYP 91 HD22 HYP 91 152.626 -2.304 6.996
532 HD23 HYP 91 HD23 HYP 91 151.426 -0.990 7.130
533 HD1 HYP 91 HD1 HYP 91 153.393 1.206 8.808
534 H GLY 92 H GLY 92 156.043 1.042 4.309
535 HA2 GLY 92 HA2 GLY 92 156.416 -0.605 2.038
536 HA3 GLY 92 HA3 GLY 92 157.611 0.522 2.675
537 HA PRO 93 HA PRO 93 158.471 -4.246 3.402
538 HB2 PRO 93 HB2 PRO 93 160.413 -3.743 1.130
539 HB3 PRO 93 HB3 PRO 93 159.620 -5.279 1.605
540 HG2 PRO 93 HG2 PRO 93 158.618 -3.838 -0.443
541 HG3 PRO 93 HG3 PRO 93 157.503 -4.519 0.786
542 HD2 PRO 93 HD2 PRO 93 158.534 -1.686 0.551
543 HD3 PRO 93 HD3 PRO 93 156.885 -2.282 0.920
544 HA HYP 94 HA HYP 94 161.982 -2.966 5.871
545 HB2 HYP 94 HB2 HYP 94 162.865 -5.335 6.892
546 HB3 HYP 94 HB3 HYP 94 161.301 -4.594 7.338
547 HG HYP 94 HG HYP 94 161.822 -6.802 5.318
548 HD22 HYP 94 HD22 HYP 94 160.118 -6.044 3.951
549 HD23 HYP 94 HD23 HYP 94 159.220 -5.299 5.305
550 HD1 HYP 94 HD1 HYP 94 161.015 -7.358 7.410
551 H GLY 95 H GLY 95 162.409 -4.856 3.025
552 HA2 GLY 95 HA2 GLY 95 164.950 -3.691 2.428
553 HA3 GLY 95 HA3 GLY 95 165.160 -5.390 2.866
554 HN1 NH2 96 HN1 NH2 96 165.937 -4.844 0.374
555 HN2 NH2 96 HN2 NH2 96 164.749 -5.358 -0.809
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 72.160 3.453 -1.743
2 H2 ACE 1 H2 ACE 1 72.427 2.729 -0.141
3 H3 ACE 1 H3 ACE 1 71.779 4.376 -0.268
4 HA PRO 2 HA PRO 2 76.186 5.342 -1.661
5 HB2 PRO 2 HB2 PRO 2 75.925 7.988 -2.279
6 HB3 PRO 2 HB3 PRO 2 75.499 6.677 -3.415
7 HG2 PRO 2 HG2 PRO 2 73.640 8.217 -1.576
8 HG3 PRO 2 HG3 PRO 2 73.451 7.906 -3.333
9 HD2 PRO 2 HD2 PRO 2 72.235 6.360 -1.440
10 HD3 PRO 2 HD3 PRO 2 72.850 5.658 -2.966
11 H LYS 3 H LYS 3 77.571 7.255 -0.805
12 HA LYS 3 HA LYS 3 78.709 8.082 0.972
13 HB2 LYS 3 HB2 LYS 3 76.003 8.795 2.158
14 HB3 LYS 3 HB3 LYS 3 77.568 9.495 2.570
15 HG2 LYS 3 HG2 LYS 3 77.784 10.363 0.238
16 HG3 LYS 3 HG3 LYS 3 76.154 9.750 -0.116
17 HD2 LYS 3 HD2 LYS 3 75.262 11.138 1.772
18 HD3 LYS 3 HD3 LYS 3 76.866 11.844 1.993
19 HE2 LYS 3 HE2 LYS 3 75.200 11.987 -0.569
20 HE3 LYS 3 HE3 LYS 3 75.260 13.249 0.663
21 HZ1 LYS 3 HZ1 LYS 3 77.590 12.344 -0.948
22 HZ2 LYS 3 HZ2 LYS 3 76.787 13.751 -1.130
23 HZ3 LYS 3 HZ3 LYS 3 77.650 13.485 0.228
24 H GLY 4 H GLY 4 77.879 5.246 1.055
25 HA2 GLY 4 HA2 GLY 4 77.952 4.436 3.872
26 HA3 GLY 4 HA3 GLY 4 78.095 3.421 2.439
27 HA PRO 5 HA PRO 5 82.092 3.857 4.790
28 HB2 PRO 5 HB2 PRO 5 82.830 1.195 4.323
29 HB3 PRO 5 HB3 PRO 5 82.312 1.930 5.845
30 HG2 PRO 5 HG2 PRO 5 80.816 0.081 4.214
31 HG3 PRO 5 HG3 PRO 5 80.307 0.881 5.723
32 HD2 PRO 5 HD2 PRO 5 79.459 1.477 3.008
33 HD3 PRO 5 HD3 PRO 5 78.872 2.171 4.542
34 H LYS 6 H LYS 6 83.927 4.523 4.069
35 HA LYS 6 HA LYS 6 84.804 4.554 1.327
36 HB2 LYS 6 HB2 LYS 6 85.315 6.321 3.021
37 HB3 LYS 6 HB3 LYS 6 86.176 5.133 3.994
38 HG2 LYS 6 HG2 LYS 6 87.909 4.910 2.265
39 HG3 LYS 6 HG3 LYS 6 87.046 6.061 1.225
40 HD2 LYS 6 HD2 LYS 6 87.391 7.860 2.842
41 HD3 LYS 6 HD3 LYS 6 87.947 6.713 4.062
42 HE2 LYS 6 HE2 LYS 6 89.898 7.763 3.316
43 HE3 LYS 6 HE3 LYS 6 89.917 6.148 2.605
44 HZ1 LYS 6 HZ1 LYS 6 89.143 8.653 1.189
45 HZ2 LYS 6 HZ2 LYS 6 90.564 7.847 1.020
46 HZ3 LYS 6 HZ3 LYS 6 89.163 7.156 0.495
47 H GLY 7 H GLY 7 86.350 3.404 0.258
48 HA2 GLY 7 HA2 GLY 7 86.782 0.685 0.943
49 HA3 GLY 7 HA3 GLY 7 87.610 1.563 -0.338
50 HA PRO 8 HA PRO 8 90.347 0.659 3.486
51 HB2 PRO 8 HB2 PRO 8 91.671 -1.652 2.782
52 HB3 PRO 8 HB3 PRO 8 90.104 -1.618 3.646
53 HG2 PRO 8 HG2 PRO 8 90.578 -1.924 0.667
54 HG3 PRO 8 HG3 PRO 8 89.549 -2.943 1.729
55 HD2 PRO 8 HD2 PRO 8 88.450 -0.959 0.255
56 HD3 PRO 8 HD3 PRO 8 87.917 -1.228 1.936
57 H LYS 9 H LYS 9 92.441 1.252 3.677
58 HA LYS 9 HA LYS 9 93.934 2.381 1.453
59 HB2 LYS 9 HB2 LYS 9 93.904 3.217 3.840
60 HB3 LYS 9 HB3 LYS 9 94.806 1.773 4.318
61 HG2 LYS 9 HG2 LYS 9 96.686 2.466 2.856
62 HG3 LYS 9 HG3 LYS 9 95.757 3.882 2.327
63 HD2 LYS 9 HD2 LYS 9 95.691 4.689 4.693
64 HD3 LYS 9 HD3 LYS 9 96.677 3.291 5.178
65 HE2 LYS 9 HE2 LYS 9 98.497 4.042 3.670
66 HE3 LYS 9 HE3 LYS 9 97.510 5.412 3.143
67 HZ1 LYS 9 HZ1 LYS 9 98.467 4.977 5.930
68 HZ2 LYS 9 HZ2 LYS 9 99.085 6.062 4.881
69 HZ3 LYS 9 HZ3 LYS 9 97.559 6.248 5.439
70 H GLY 10 H GLY 10 95.770 1.563 0.432
71 HA2 GLY 10 HA2 GLY 10 96.068 -1.304 0.275
72 HA3 GLY 10 HA3 GLY 10 97.111 -0.118 -0.491
73 HA PRO 11 HA PRO 11 99.247 -2.135 3.276
74 HB2 PRO 11 HB2 PRO 11 100.700 -4.173 2.154
75 HB3 PRO 11 HB3 PRO 11 99.010 -4.363 2.709
76 HG2 PRO 11 HG2 PRO 11 99.989 -3.779 -0.103
77 HG3 PRO 11 HG3 PRO 11 98.841 -5.054 0.420
78 HD2 PRO 11 HD2 PRO 11 97.934 -2.697 -0.562
79 HD3 PRO 11 HD3 PRO 11 97.127 -3.470 0.829
80 H LYS 12 H LYS 12 101.484 -2.039 3.789
81 HA LYS 12 HA LYS 12 103.084 -0.037 2.535
82 HB2 LYS 12 HB2 LYS 12 103.235 -0.714 4.939
83 HB3 LYS 12 HB3 LYS 12 103.831 -2.303 4.455
84 HG2 LYS 12 HG2 LYS 12 105.876 -1.349 3.564
85 HG3 LYS 12 HG3 LYS 12 105.274 0.303 3.804
86 HD2 LYS 12 HD2 LYS 12 105.257 -0.053 6.253
87 HD3 LYS 12 HD3 LYS 12 105.785 -1.737 6.021
88 HE2 LYS 12 HE2 LYS 12 107.848 -0.906 4.880
89 HE3 LYS 12 HE3 LYS 12 107.339 0.761 5.189
90 HZ1 LYS 12 HZ1 LYS 12 107.885 -1.255 7.311
91 HZ2 LYS 12 HZ2 LYS 12 108.933 -0.094 6.836
92 HZ3 LYS 12 HZ3 LYS 12 107.515 0.323 7.566
93 H GLY 13 H GLY 13 104.726 -0.108 1.063
94 HA2 GLY 13 HA2 GLY 13 104.884 -2.296 -0.801
95 HA3 GLY 13 HA3 GLY 13 105.882 -0.847 -0.794
96 HA PRO 14 HA PRO 14 108.229 -4.702 0.707
97 HB2 PRO 14 HB2 PRO 14 109.593 -5.518 -1.518
98 HB3 PRO 14 HB3 PRO 14 107.904 -6.005 -1.177
99 HG2 PRO 14 HG2 PRO 14 108.864 -3.738 -2.945
100 HG3 PRO 14 HG3 PRO 14 107.680 -5.022 -3.351
101 HD2 PRO 14 HD2 PRO 14 106.869 -2.562 -2.505
102 HD3 PRO 14 HD3 PRO 14 106.012 -4.044 -1.993
103 H LYS 15 H LYS 15 110.400 -4.794 1.298
104 HA LYS 15 HA LYS 15 111.955 -2.406 1.442
105 HB2 LYS 15 HB2 LYS 15 112.079 -4.338 3.023
106 HB3 LYS 15 HB3 LYS 15 112.770 -5.335 1.737
107 HG2 LYS 15 HG2 LYS 15 114.754 -3.870 1.638
108 HG3 LYS 15 HG3 LYS 15 114.057 -2.816 2.887
109 HD2 LYS 15 HD2 LYS 15 114.193 -4.592 4.545
110 HD3 LYS 15 HD3 LYS 15 114.552 -5.793 3.300
111 HE2 LYS 15 HE2 LYS 15 116.594 -5.332 4.427
112 HE3 LYS 15 HE3 LYS 15 116.704 -4.675 2.796
113 HZ1 LYS 15 HZ1 LYS 15 116.130 -3.078 5.243
114 HZ2 LYS 15 HZ2 LYS 15 117.581 -3.187 4.489
115 HZ3 LYS 15 HZ3 LYS 15 116.317 -2.445 3.728
116 H GLY 16 H GLY 16 113.624 -1.599 0.257
117 HA2 GLY 16 HA2 GLY 16 113.854 -2.267 -2.527
118 HA3 GLY 16 HA3 GLY 16 114.875 -1.135 -1.647
119 HA PRO 17 HA PRO 17 117.196 -5.184 -2.577
120 HB2 PRO 17 HB2 PRO 17 118.431 -4.738 -4.965
121 HB3 PRO 17 HB3 PRO 17 116.740 -5.318 -4.846
122 HG2 PRO 17 HG2 PRO 17 117.704 -2.468 -5.230
123 HG3 PRO 17 HG3 PRO 17 116.467 -3.350 -6.185
124 HD2 PRO 17 HD2 PRO 17 115.779 -1.675 -4.140
125 HD3 PRO 17 HD3 PRO 17 114.877 -3.185 -4.455
126 H LYS 18 H LYS 18 119.392 -5.534 -2.222
127 HA LYS 18 HA LYS 18 120.912 -3.547 -0.846
128 HB2 LYS 18 HB2 LYS 18 120.996 -6.021 -0.501
129 HB3 LYS 18 HB3 LYS 18 121.763 -6.202 -2.084
130 HG2 LYS 18 HG2 LYS 18 123.722 -4.931 -1.301
131 HG3 LYS 18 HG3 LYS 18 122.948 -4.666 0.275
132 HD2 LYS 18 HD2 LYS 18 123.014 -7.031 0.782
133 HD3 LYS 18 HD3 LYS 18 123.504 -7.430 -0.882
134 HE2 LYS 18 HE2 LYS 18 125.602 -6.160 -0.584
135 HE3 LYS 18 HE3 LYS 18 125.157 -5.779 1.087
136 HZ1 LYS 18 HZ1 LYS 18 125.315 -8.108 1.634
137 HZ2 LYS 18 HZ2 LYS 18 125.487 -8.554 0.065
138 HZ3 LYS 18 HZ3 LYS 18 126.683 -7.722 0.795
139 H GLY 19 H GLY 19 122.785 -2.437 -1.334
140 HA2 GLY 19 HA2 GLY 19 123.077 -1.458 -4.047
141 HA3 GLY 19 HA3 GLY 19 124.072 -1.026 -2.664
142 HA PRO 20 HA PRO 20 126.367 -3.965 -5.622
143 HB2 PRO 20 HB2 PRO 20 127.818 -2.274 -7.202
144 HB3 PRO 20 HB3 PRO 20 126.116 -2.708 -7.551
145 HG2 PRO 20 HG2 PRO 20 127.144 -0.240 -6.108
146 HG3 PRO 20 HG3 PRO 20 125.988 -0.315 -7.479
147 HD2 PRO 20 HD2 PRO 20 125.114 -0.129 -4.907
148 HD3 PRO 20 HD3 PRO 20 124.259 -1.141 -6.103
149 H LYS 21 H LYS 21 128.485 -4.660 -5.359
150 HA LYS 21 HA LYS 21 130.029 -3.751 -3.099
151 HB2 LYS 21 HB2 LYS 21 129.959 -6.127 -3.891
152 HB3 LYS 21 HB3 LYS 21 130.676 -5.639 -5.423
153 HG2 LYS 21 HG2 LYS 21 132.774 -5.102 -4.402
154 HG3 LYS 21 HG3 LYS 21 132.110 -5.255 -2.767
155 HD2 LYS 21 HD2 LYS 21 131.792 -7.629 -3.017
156 HD3 LYS 21 HD3 LYS 21 132.215 -7.585 -4.734
157 HE2 LYS 21 HE2 LYS 21 134.133 -6.761 -2.502
158 HE3 LYS 21 HE3 LYS 21 134.020 -8.413 -3.119
159 HZ1 LYS 21 HZ1 LYS 21 134.751 -6.048 -4.774
160 HZ2 LYS 21 HZ2 LYS 21 135.783 -7.220 -4.262
161 HZ3 LYS 21 HZ3 LYS 21 134.605 -7.585 -5.330
162 H GLY 22 H GLY 22 131.968 -2.720 -2.925
163 HA2 GLY 22 HA2 GLY 22 132.428 -0.590 -4.838
164 HA3 GLY 22 HA3 GLY 22 133.305 -0.860 -3.339
165 HA PRO 23 HA PRO 23 135.875 -2.142 -7.130
166 HB2 PRO 23 HB2 PRO 23 137.303 0.093 -7.759
167 HB3 PRO 23 HB3 PRO 23 135.622 -0.161 -8.320
168 HG2 PRO 23 HG2 PRO 23 136.551 1.410 -5.893
169 HG3 PRO 23 HG3 PRO 23 135.450 1.957 -7.202
170 HD2 PRO 23 HD2 PRO 23 134.480 0.969 -4.857
171 HD3 PRO 23 HD3 PRO 23 133.688 0.603 -6.415
172 H LYS 24 H LYS 24 138.136 -2.533 -7.260
173 HA LYS 24 HA LYS 24 139.548 -3.018 -4.820
174 HB2 LYS 24 HB2 LYS 24 139.778 -4.297 -6.966
175 HB3 LYS 24 HB3 LYS 24 140.501 -2.874 -7.719
176 HG2 LYS 24 HG2 LYS 24 142.438 -3.014 -6.218
177 HG3 LYS 24 HG3 LYS 24 141.707 -4.380 -5.352
178 HD2 LYS 24 HD2 LYS 24 141.800 -5.762 -7.364
179 HD3 LYS 24 HD3 LYS 24 142.325 -4.372 -8.342
180 HE2 LYS 24 HE2 LYS 24 144.396 -4.197 -6.995
181 HE3 LYS 24 HE3 LYS 24 143.900 -5.600 -6.032
182 HZ1 LYS 24 HZ1 LYS 24 144.369 -5.651 -8.974
183 HZ2 LYS 24 HZ2 LYS 24 145.442 -6.171 -7.857
184 HZ3 LYS 24 HZ3 LYS 24 144.007 -6.953 -8.043
185 H GLY 25 H GLY 25 141.263 -2.051 -3.834
186 HA2 GLY 25 HA2 GLY 25 141.562 0.827 -4.065
187 HA3 GLY 25 HA3 GLY 25 142.437 -0.240 -2.976
188 HA PRO 26 HA PRO 26 145.187 1.232 -6.561
189 HB2 PRO 26 HB2 PRO 26 146.591 3.289 -5.450
190 HB3 PRO 26 HB3 PRO 26 144.952 3.507 -6.136
191 HG2 PRO 26 HG2 PRO 26 145.703 3.043 -3.234
192 HG3 PRO 26 HG3 PRO 26 144.654 4.336 -3.903
193 HD2 PRO 26 HD2 PRO 26 143.600 2.044 -2.871
194 HD3 PRO 26 HD3 PRO 26 142.889 2.822 -4.314
195 H LYS 27 H LYS 27 147.491 0.966 -6.778
196 HA LYS 27 HA LYS 27 148.722 -1.083 -5.241
197 HB2 LYS 27 HB2 LYS 27 149.242 -0.427 -7.605
198 HB3 LYS 27 HB3 LYS 27 150.036 1.034 -7.003
199 HG2 LYS 27 HG2 LYS 27 151.711 -0.345 -5.826
200 HG3 LYS 27 HG3 LYS 27 150.868 -1.824 -6.331
201 HD2 LYS 27 HD2 LYS 27 151.359 -1.309 -8.696
202 HD3 LYS 27 HD3 LYS 27 152.057 0.244 -8.233
203 HE2 LYS 27 HE2 LYS 27 153.850 -1.273 -8.709
204 HE3 LYS 27 HE3 LYS 27 153.863 -0.899 -6.984
205 HZ1 LYS 27 HZ1 LYS 27 152.679 -3.382 -8.141
206 HZ2 LYS 27 HZ2 LYS 27 154.177 -3.301 -7.500
207 HZ3 LYS 27 HZ3 LYS 27 152.883 -3.065 -6.531
208 H GLY 28 H GLY 28 150.337 -1.109 -3.704
209 HA2 GLY 28 HA2 GLY 28 150.451 0.948 -1.711
210 HA3 GLY 28 HA3 GLY 28 151.527 -0.441 -1.834
211 HA PRO 29 HA PRO 29 153.487 3.816 -2.586
212 HB2 PRO 29 HB2 PRO 29 155.467 3.703 -0.622
213 HB3 PRO 29 HB3 PRO 29 153.823 4.373 -0.419
214 HG2 PRO 29 HG2 PRO 29 154.809 1.604 0.292
215 HG3 PRO 29 HG3 PRO 29 153.799 2.710 1.274
216 HD2 PRO 29 HD2 PRO 29 152.675 0.696 -0.137
217 HD3 PRO 29 HD3 PRO 29 151.888 2.299 -0.074
218 H LYS 30 H LYS 30 155.008 4.177 -4.034
219 HA LYS 30 HA LYS 30 157.212 2.227 -4.571
220 HB2 LYS 30 HB2 LYS 30 155.267 1.652 -5.944
221 HB3 LYS 30 HB3 LYS 30 155.117 3.298 -6.533
222 HG2 LYS 30 HG2 LYS 30 157.712 1.821 -7.013
223 HG3 LYS 30 HG3 LYS 30 156.282 1.352 -7.934
224 HD2 LYS 30 HD2 LYS 30 156.017 3.621 -8.815
225 HD3 LYS 30 HD3 LYS 30 157.424 4.180 -7.890
226 HE2 LYS 30 HE2 LYS 30 158.861 2.537 -9.084
227 HE3 LYS 30 HE3 LYS 30 157.459 1.988 -10.013
228 HZ1 LYS 30 HZ1 LYS 30 158.576 4.747 -10.097
229 HZ2 LYS 30 HZ2 LYS 30 158.766 3.615 -11.256
230 HZ3 LYS 30 HZ3 LYS 30 157.285 4.230 -10.960
231 H GLY 31 H GLY 31 159.089 3.119 -5.204
232 HA2 GLY 31 HA2 GLY 31 159.837 5.257 -6.631
233 HA3 GLY 31 HA3 GLY 31 159.427 6.057 -5.114
234 HN1 NH2 32 HN1 NH2 32 161.989 6.333 -5.996
235 HN2 NH2 32 HN2 NH2 32 163.071 5.375 -5.004
236 H1 ACE 33 H1 ACE 33 81.308 4.757 -5.630
237 H2 ACE 33 H2 ACE 33 80.962 3.317 -4.637
238 H3 ACE 33 H3 ACE 33 82.264 3.278 -5.835
239 H ASP 34 H ASP 34 78.470 3.287 -7.435
240 HA ASP 34 HA ASP 34 79.108 5.586 -5.908
241 HB2 ASP 34 HB2 ASP 34 76.460 4.231 -6.507
242 HB3 ASP 34 HB3 ASP 34 76.618 5.825 -5.776
243 HA HYP 35 HA HYP 35 76.833 3.284 -2.217
244 HB2 HYP 35 HB2 HYP 35 78.739 0.958 -2.089
245 HB3 HYP 35 HB3 HYP 35 77.055 1.063 -1.505
246 HG HYP 35 HG HYP 35 77.662 -0.109 -3.885
247 HD22 HYP 35 HD22 HYP 35 78.942 1.544 -4.897
248 HD23 HYP 35 HD23 HYP 35 77.341 2.069 -5.488
249 HD1 HYP 35 HD1 HYP 35 75.501 0.211 -3.296
250 H GLY 36 H GLY 36 80.368 3.482 -2.662
251 HA2 GLY 36 HA2 GLY 36 80.580 5.206 -0.330
252 HA3 GLY 36 HA3 GLY 36 81.381 3.651 -0.103
253 H ASP 37 H ASP 37 82.784 6.000 0.031
254 HA ASP 37 HA ASP 37 83.908 6.905 -2.417
255 HB2 ASP 37 HB2 ASP 37 84.611 7.244 0.514
256 HB3 ASP 37 HB3 ASP 37 85.539 8.010 -0.761
257 HA HYP 38 HA HYP 38 87.380 4.178 -3.176
258 HB2 HYP 38 HB2 HYP 38 89.006 6.657 -3.685
259 HB3 HYP 38 HB3 HYP 38 88.817 5.212 -4.715
260 HG HYP 38 HG HYP 38 87.535 7.579 -5.241
261 HD22 HYP 38 HD22 HYP 38 86.403 7.932 -3.226
262 HD23 HYP 38 HD23 HYP 38 85.164 6.964 -4.074
263 HD1 HYP 38 HD1 HYP 38 87.159 5.782 -6.542
264 H GLY 39 H GLY 39 89.231 3.326 -2.230
265 HA2 GLY 39 HA2 GLY 39 90.254 4.536 0.276
266 HA3 GLY 39 HA3 GLY 39 90.626 2.937 -0.331
267 H ASP 40 H ASP 40 92.443 4.806 0.687
268 HA ASP 40 HA ASP 40 93.841 6.161 -1.461
269 HB2 ASP 40 HB2 ASP 40 94.098 6.000 1.541
270 HB3 ASP 40 HB3 ASP 40 95.371 6.718 0.573
271 HA HYP 41 HA HYP 41 97.264 3.372 -2.326
272 HB2 HYP 41 HB2 HYP 41 99.032 5.758 -1.884
273 HB3 HYP 41 HB3 HYP 41 99.011 4.619 -3.256
274 HG HYP 41 HG HYP 41 97.947 7.140 -3.397
275 HD22 HYP 41 HD22 HYP 41 96.403 7.097 -1.650
276 HD23 HYP 41 HD23 HYP 41 95.351 6.423 -2.927
277 HD1 HYP 41 HD1 HYP 41 96.651 6.370 -5.054
278 H GLY 42 H GLY 42 98.981 2.267 -1.291
279 HA2 GLY 42 HA2 GLY 42 99.196 2.461 1.616
280 HA3 GLY 42 HA3 GLY 42 100.017 1.321 0.567
281 H ASP 43 H ASP 43 101.317 2.360 2.753
282 HA ASP 43 HA ASP 43 103.034 4.531 2.139
283 HB2 ASP 43 HB2 ASP 43 102.892 2.529 4.286
284 HB3 ASP 43 HB3 ASP 43 104.504 3.127 3.964
285 HA HYP 44 HA HYP 44 106.280 2.815 -0.460
286 HB2 HYP 44 HB2 HYP 44 108.030 4.624 1.184
287 HB3 HYP 44 HB3 HYP 44 107.943 4.461 -0.589
288 HG HYP 44 HG HYP 44 106.824 6.576 0.745
289 HD22 HYP 44 HD22 HYP 44 105.463 5.443 2.272
290 HD23 HYP 44 HD23 HYP 44 104.303 5.613 0.922
291 HD1 HYP 44 HD1 HYP 44 106.534 6.437 -1.468
292 H GLY 45 H GLY 45 107.890 1.251 -0.278
293 HA2 GLY 45 HA2 GLY 45 108.345 -0.103 2.253
294 HA3 GLY 45 HA3 GLY 45 109.143 -0.431 0.718
295 H ASP 46 H ASP 46 110.512 -0.550 3.157
296 HA ASP 46 HA ASP 46 112.041 1.862 3.624
297 HB2 ASP 46 HB2 ASP 46 112.151 -1.011 4.575
298 HB3 ASP 46 HB3 ASP 46 113.465 0.095 4.918
299 HA HYP 47 HA HYP 47 115.276 1.472 0.601
300 HB2 HYP 47 HB2 HYP 47 117.249 1.918 2.821
301 HB3 HYP 47 HB3 HYP 47 117.109 2.764 1.255
302 HG HYP 47 HG HYP 47 116.249 3.860 3.624
303 HD22 HYP 47 HD22 HYP 47 114.734 2.250 4.364
304 HD23 HYP 47 HD23 HYP 47 113.619 3.202 3.343
305 HD1 HYP 47 HD1 HYP 47 115.983 4.961 1.671
306 H GLY 48 H GLY 48 116.953 0.152 -0.178
307 HA2 GLY 48 HA2 GLY 48 117.479 -2.437 1.112
308 HA3 GLY 48 HA3 GLY 48 118.214 -1.818 -0.356
309 H ASP 49 H ASP 49 119.653 -3.168 1.630
310 HA ASP 49 HA ASP 49 121.038 -1.281 3.331
311 HB2 ASP 49 HB2 ASP 49 121.192 -4.249 2.790
312 HB3 ASP 49 HB3 ASP 49 122.452 -3.452 3.702
313 HA HYP 50 HA HYP 50 124.511 -0.055 0.872
314 HB2 HYP 50 HB2 HYP 50 126.313 -0.998 3.081
315 HB3 HYP 50 HB3 HYP 50 126.280 0.586 2.263
316 HG HYP 50 HG HYP 50 125.242 0.182 4.776
317 HD22 HYP 50 HD22 HYP 50 123.701 -1.514 4.379
318 HD23 HYP 50 HD23 HYP 50 122.646 -0.120 4.011
319 HD1 HYP 50 HD1 HYP 50 125.090 2.206 3.813
320 H GLY 51 H GLY 51 126.039 -0.842 -0.562
321 HA2 GLY 51 HA2 GLY 51 126.409 -3.699 -0.930
322 HA3 GLY 51 HA3 GLY 51 127.245 -2.413 -1.782
323 H ASP 52 H ASP 52 128.495 -4.784 -0.988
324 HA ASP 52 HA ASP 52 129.936 -4.530 1.454
325 HB2 ASP 52 HB2 ASP 52 130.168 -6.256 -1.016
326 HB3 ASP 52 HB3 ASP 52 131.393 -6.322 0.240
327 HA HYP 53 HA HYP 53 133.440 -1.889 0.398
328 HB2 HYP 53 HB2 HYP 53 135.040 -3.870 1.993
329 HB3 HYP 53 HB3 HYP 53 135.009 -2.091 2.123
330 HG HYP 53 HG HYP 53 133.724 -3.726 3.915
331 HD22 HYP 53 HD22 HYP 53 132.359 -4.974 2.488
332 HD23 HYP 53 HD23 HYP 53 131.255 -3.601 2.788
333 HD1 HYP 53 HD1 HYP 53 133.534 -1.505 4.133
334 H GLY 54 H GLY 54 135.179 -1.831 -1.015
335 HA2 GLY 54 HA2 GLY 54 135.589 -4.041 -2.851
336 HA3 GLY 54 HA3 GLY 54 136.412 -2.488 -2.854
337 H ASP 55 H ASP 55 137.772 -4.754 -3.527
338 HA ASP 55 HA ASP 55 139.139 -6.035 -1.370
339 HB2 ASP 55 HB2 ASP 55 139.549 -5.874 -4.377
340 HB3 ASP 55 HB3 ASP 55 140.589 -6.821 -3.324
341 HA HYP 56 HA HYP 56 142.617 -3.215 -0.644
342 HB2 HYP 56 HB2 HYP 56 144.230 -5.742 -0.462
343 HB3 HYP 56 HB3 HYP 56 144.180 -4.362 0.666
344 HG HYP 56 HG HYP 56 142.920 -6.739 1.182
345 HD22 HYP 56 HD22 HYP 56 141.553 -6.949 -0.705
346 HD23 HYP 56 HD23 HYP 56 140.435 -6.004 0.320
347 HD1 HYP 56 HD1 HYP 56 141.494 -5.566 2.486
348 H GLY 57 H GLY 57 144.295 -2.319 -1.842
349 HA2 GLY 57 HA2 GLY 57 144.797 -3.154 -4.568
350 HA3 GLY 57 HA3 GLY 57 145.674 -1.930 -3.663
351 H ASP 58 H ASP 58 147.067 -3.511 -5.424
352 HA ASP 58 HA ASP 58 148.292 -5.777 -4.098
353 HB2 ASP 58 HB2 ASP 58 148.703 -4.284 -6.699
354 HB3 ASP 58 HB3 ASP 58 149.886 -5.453 -6.154
355 HA HYP 59 HA HYP 59 151.539 -4.025 -1.771
356 HB2 HYP 59 HB2 HYP 59 153.537 -5.719 -3.238
357 HB3 HYP 59 HB3 HYP 59 153.277 -5.556 -1.481
358 HG HYP 59 HG HYP 59 152.396 -7.718 -2.939
359 HD22 HYP 59 HD22 HYP 59 151.016 -6.722 -4.510
360 HD23 HYP 59 HD23 HYP 59 149.816 -6.863 -3.198
361 HD1 HYP 59 HD1 HYP 59 151.997 -7.595 -0.727
362 H GLY 60 H GLY 60 153.213 -2.532 -1.702
363 HA2 GLY 60 HA2 GLY 60 153.801 -0.925 -4.055
364 HA3 GLY 60 HA3 GLY 60 154.451 -0.723 -2.430
365 H ASP 61 H ASP 61 156.073 -0.200 -4.444
366 HA ASP 61 HA ASP 61 158.122 -2.381 -4.410
367 HB2 ASP 61 HB2 ASP 61 156.469 -1.916 -6.623
368 HB3 ASP 61 HB3 ASP 61 157.510 -0.559 -6.814
369 HA HYP 62 HA HYP 62 160.030 1.850 -3.634
370 HB2 HYP 62 HB2 HYP 62 160.334 1.938 -0.916
371 HB3 HYP 62 HB3 HYP 62 158.874 2.501 -1.769
372 HG HYP 62 HG HYP 62 159.243 0.048 -0.112
373 HD22 HYP 62 HD22 HYP 62 158.960 -1.426 -1.812
374 HD23 HYP 62 HD23 HYP 62 157.365 -0.693 -2.110
375 HD1 HYP 62 HD1 HYP 62 156.887 1.263 -1.191
376 H GLY 63 H GLY 63 162.254 2.275 -2.839
377 HA2 GLY 63 HA2 GLY 63 163.895 0.231 -1.638
378 HA3 GLY 63 HA3 GLY 63 164.161 0.287 -3.380
379 HN1 NH2 64 HN1 NH2 64 166.374 0.768 -2.088
380 HN2 NH2 64 HN2 NH2 64 166.754 2.477 -1.989
381 H1 ACE 65 H1 ACE 65 85.101 0.002 3.938
382 H2 ACE 65 H2 ACE 65 84.247 -1.473 4.425
383 H3 ACE 65 H3 ACE 65 85.972 -1.543 3.985
384 HA PRO 66 HA PRO 66 85.053 -2.965 0.019
385 HB2 PRO 66 HB2 PRO 66 82.649 -4.603 0.836
386 HB3 PRO 66 HB3 PRO 66 84.012 -5.053 -0.237
387 HG2 PRO 66 HG2 PRO 66 84.021 -5.850 2.345
388 HG3 PRO 66 HG3 PRO 66 85.522 -5.194 1.611
389 HD2 PRO 66 HD2 PRO 66 83.550 -3.797 3.425
390 HD3 PRO 66 HD3 PRO 66 85.338 -3.750 3.440
391 HA HYP 67 HA HYP 67 80.574 -1.269 -1.152
392 HB2 HYP 67 HB2 HYP 67 80.646 0.771 1.082
393 HB3 HYP 67 HB3 HYP 67 79.230 0.197 0.148
394 HG HYP 67 HG HYP 67 79.732 -0.881 2.564
395 HD22 HYP 67 HD22 HYP 67 82.036 -1.245 2.374
396 HD23 HYP 67 HD23 HYP 67 81.456 -2.859 1.878
397 HD1 HYP 67 HD1 HYP 67 78.227 -1.887 1.218
398 H GLY 68 H GLY 68 83.431 0.540 0.013
399 HA2 GLY 68 HA2 GLY 68 83.408 2.091 -2.548
400 HA3 GLY 68 HA3 GLY 68 84.298 2.547 -1.101
401 HA PRO 69 HA PRO 69 86.492 -0.580 -4.012
402 HB2 PRO 69 HB2 PRO 69 87.963 0.937 -5.779
403 HB3 PRO 69 HB3 PRO 69 86.290 0.369 -6.052
404 HG2 PRO 69 HG2 PRO 69 87.206 3.066 -5.054
405 HG3 PRO 69 HG3 PRO 69 85.969 2.707 -6.295
406 HD2 PRO 69 HD2 PRO 69 85.286 3.281 -3.711
407 HD3 PRO 69 HD3 PRO 69 84.375 2.086 -4.679
408 HA HYP 70 HA HYP 70 90.198 -0.204 -1.365
409 HB2 HYP 70 HB2 HYP 70 91.405 -2.049 -3.401
410 HB3 HYP 70 HB3 HYP 70 91.413 -2.188 -1.626
411 HG HYP 70 HG HYP 70 89.781 -3.683 -3.256
412 HD22 HYP 70 HD22 HYP 70 88.527 -2.067 -4.360
413 HD23 HYP 70 HD23 HYP 70 87.547 -2.133 -2.865
414 HD1 HYP 70 HD1 HYP 70 88.446 -3.927 -1.463
415 H GLY 71 H GLY 71 92.308 0.661 -1.383
416 HA2 GLY 71 HA2 GLY 71 93.168 2.134 -3.824
417 HA3 GLY 71 HA3 GLY 71 93.805 2.332 -2.202
418 HA PRO 72 HA PRO 72 96.398 -0.679 -4.825
419 HB2 PRO 72 HB2 PRO 72 98.360 0.886 -5.907
420 HB3 PRO 72 HB3 PRO 72 96.731 0.745 -6.635
421 HG2 PRO 72 HG2 PRO 72 97.750 2.902 -4.760
422 HG3 PRO 72 HG3 PRO 72 96.924 3.117 -6.337
423 HD2 PRO 72 HD2 PRO 72 95.562 3.230 -3.973
424 HD3 PRO 72 HD3 PRO 72 94.836 2.499 -5.435
425 HA HYP 73 HA HYP 73 99.536 -1.092 -1.615
426 HB2 HYP 73 HB2 HYP 73 101.665 -2.165 -3.184
427 HB3 HYP 73 HB3 HYP 73 100.427 -3.056 -2.274
428 HG HYP 73 HG HYP 73 100.636 -2.566 -5.190
429 HD22 HYP 73 HD22 HYP 73 98.688 -1.500 -5.555
430 HD23 HYP 73 HD23 HYP 73 97.801 -2.535 -4.404
431 HD1 HYP 73 HD1 HYP 73 100.475 -4.665 -4.353
432 H GLY 74 H GLY 74 101.559 -0.210 -0.882
433 HA2 GLY 74 HA2 GLY 74 102.435 2.259 -2.168
434 HA3 GLY 74 HA3 GLY 74 103.154 1.490 -0.763
435 HA PRO 75 HA PRO 75 105.542 0.648 -4.803
436 HB2 PRO 75 HB2 PRO 75 107.440 2.625 -4.919
437 HB3 PRO 75 HB3 PRO 75 105.775 2.827 -5.541
438 HG2 PRO 75 HG2 PRO 75 106.856 3.657 -2.825
439 HG3 PRO 75 HG3 PRO 75 105.933 4.656 -3.996
440 HD2 PRO 75 HD2 PRO 75 104.692 3.411 -1.921
441 HD3 PRO 75 HD3 PRO 75 103.919 3.509 -3.529
442 HA HYP 76 HA HYP 76 109.059 -1.379 -2.740
443 HB2 HYP 76 HB2 HYP 76 110.653 -0.522 -5.138
444 HB3 HYP 76 HB3 HYP 76 110.543 -2.134 -4.386
445 HG HYP 76 HG HYP 76 109.248 -1.479 -6.722
446 HD22 HYP 76 HD22 HYP 76 107.954 0.334 -6.055
447 HD23 HYP 76 HD23 HYP 76 106.815 -0.963 -5.594
448 HD1 HYP 76 HD1 HYP 76 109.022 -3.532 -5.818
449 H GLY 77 H GLY 77 110.806 -0.740 -1.449
450 HA2 GLY 77 HA2 GLY 77 111.424 2.062 -1.105
451 HA3 GLY 77 HA3 GLY 77 112.306 0.715 -0.399
452 HA PRO 78 HA PRO 78 114.612 2.679 -4.076
453 HB2 PRO 78 HB2 PRO 78 116.502 4.119 -2.438
454 HB3 PRO 78 HB3 PRO 78 115.332 4.752 -3.623
455 HG2 PRO 78 HG2 PRO 78 115.196 4.969 -0.764
456 HG3 PRO 78 HG3 PRO 78 113.965 5.457 -1.956
457 HD2 PRO 78 HD2 PRO 78 113.993 3.090 -0.209
458 HD3 PRO 78 HD3 PRO 78 112.647 3.822 -1.122
459 HA HYP 79 HA HYP 79 117.875 -0.441 -3.562
460 HB2 HYP 79 HB2 HYP 79 119.552 1.403 -5.236
461 HB3 HYP 79 HB3 HYP 79 119.276 -0.348 -5.431
462 HG HYP 79 HG HYP 79 118.050 1.542 -7.007
463 HD22 HYP 79 HD22 HYP 79 116.944 2.844 -5.421
464 HD23 HYP 79 HD23 HYP 79 115.691 1.587 -5.651
465 HD1 HYP 79 HD1 HYP 79 117.604 -0.646 -7.296
466 H GLY 80 H GLY 80 119.783 -0.744 -2.356
467 HA2 GLY 80 HA2 GLY 80 120.587 1.311 -0.481
468 HA3 GLY 80 HA3 GLY 80 121.354 -0.256 -0.706
469 HA PRO 81 HA PRO 81 123.855 3.305 -2.639
470 HB2 PRO 81 HB2 PRO 81 125.682 3.957 -0.698
471 HB3 PRO 81 HB3 PRO 81 124.044 4.672 -0.789
472 HG2 PRO 81 HG2 PRO 81 124.959 2.325 0.898
473 HG3 PRO 81 HG3 PRO 81 124.034 3.768 1.427
474 HD2 PRO 81 HD2 PRO 81 122.785 1.425 0.818
475 HD3 PRO 81 HD3 PRO 81 122.059 2.999 0.385
476 HA HYP 82 HA HYP 82 127.255 0.516 -3.790
477 HB2 HYP 82 HB2 HYP 82 128.988 2.966 -3.785
478 HB3 HYP 82 HB3 HYP 82 128.820 1.716 -5.044
479 HG HYP 82 HG HYP 82 127.661 4.198 -5.245
480 HD22 HYP 82 HD22 HYP 82 126.367 4.270 -3.306
481 HD23 HYP 82 HD23 HYP 82 125.183 3.472 -4.384
482 HD1 HYP 82 HD1 HYP 82 127.351 2.654 -6.855
483 H GLY 83 H GLY 83 128.903 -0.587 -2.760
484 HA2 GLY 83 HA2 GLY 83 129.715 0.096 -0.040
485 HA3 GLY 83 HA3 GLY 83 130.382 -1.182 -1.049
486 HA PRO 84 HA PRO 84 133.016 2.807 -0.996
487 HB2 PRO 84 HB2 PRO 84 134.831 2.437 1.031
488 HB3 PRO 84 HB3 PRO 84 133.208 3.151 1.272
489 HG2 PRO 84 HG2 PRO 84 134.049 0.265 1.691
490 HG3 PRO 84 HG3 PRO 84 133.137 1.324 2.816
491 HD2 PRO 84 HD2 PRO 84 131.864 -0.442 1.179
492 HD3 PRO 84 HD3 PRO 84 131.172 1.172 1.513
493 HA HYP 85 HA HYP 85 136.413 0.802 -3.280
494 HB2 HYP 85 HB2 HYP 85 138.121 3.015 -2.180
495 HB3 HYP 85 HB3 HYP 85 137.974 2.445 -3.863
496 HG HYP 85 HG HYP 85 136.789 4.756 -2.972
497 HD22 HYP 85 HD22 HYP 85 135.497 3.955 -1.200
498 HD23 HYP 85 HD23 HYP 85 134.316 3.715 -2.521
499 HD1 HYP 85 HD1 HYP 85 136.494 4.059 -5.098
500 H GLY 86 H GLY 86 138.175 -0.560 -2.816
501 HA2 GLY 86 HA2 GLY 86 138.697 -1.304 -0.059
502 HA3 GLY 86 HA3 GLY 86 139.557 -1.883 -1.478
503 HA PRO 87 HA PRO 87 142.000 1.341 1.021
504 HB2 PRO 87 HB2 PRO 87 143.723 -0.194 2.513
505 HB3 PRO 87 HB3 PRO 87 142.065 0.227 3.041
506 HG2 PRO 87 HG2 PRO 87 142.992 -2.309 1.659
507 HG3 PRO 87 HG3 PRO 87 141.992 -2.163 3.141
508 HD2 PRO 87 HD2 PRO 87 140.859 -2.560 0.696
509 HD3 PRO 87 HD3 PRO 87 140.094 -1.487 1.905
510 HA HYP 88 HA HYP 88 145.632 1.149 -1.722
511 HB2 HYP 88 HB2 HYP 88 147.186 2.070 0.676
512 HB3 HYP 88 HB3 HYP 88 147.199 2.720 -0.985
513 HG HYP 88 HG HYP 88 145.896 3.965 1.078
514 HD22 HYP 88 HD22 HYP 88 144.472 2.261 1.812
515 HD23 HYP 88 HD23 HYP 88 143.407 2.969 0.563
516 HD1 HYP 88 HD1 HYP 88 144.528 4.868 -0.483
517 H GLY 89 H GLY 89 147.256 -0.356 -2.135
518 HA2 GLY 89 HA2 GLY 89 147.417 -2.739 -0.575
519 HA3 GLY 89 HA3 GLY 89 148.516 -2.292 -1.876
520 HA PRO 90 HA PRO 90 150.397 -2.016 2.499
521 HB2 PRO 90 HB2 PRO 90 151.862 -4.333 2.684
522 HB3 PRO 90 HB3 PRO 90 150.130 -4.215 3.117
523 HG2 PRO 90 HG2 PRO 90 151.337 -5.141 0.497
524 HG3 PRO 90 HG3 PRO 90 150.084 -5.966 1.484
525 HD2 PRO 90 HD2 PRO 90 149.416 -4.416 -0.648
526 HD3 PRO 90 HD3 PRO 90 148.426 -4.402 0.843
527 HA HYP 91 HA HYP 91 154.462 -0.609 1.026
528 HB2 HYP 91 HB2 HYP 91 155.566 -1.872 3.507
529 HB3 HYP 91 HB3 HYP 91 155.855 -0.236 2.855
530 HG HYP 91 HG HYP 91 154.185 -0.687 4.974
531 HD22 HYP 91 HD22 HYP 91 152.700 -2.267 4.049
532 HD23 HYP 91 HD23 HYP 91 151.849 -0.770 3.586
533 HD1 HYP 91 HD1 HYP 91 153.063 1.186 4.326
534 H GLY 92 H GLY 92 156.448 -1.409 0.195
535 HA2 GLY 92 HA2 GLY 92 156.423 -4.228 -0.654
536 HA3 GLY 92 HA3 GLY 92 157.568 -2.989 -1.128
537 HA PRO 93 HA PRO 93 159.623 -6.227 1.528
538 HB2 PRO 93 HB2 PRO 93 161.886 -5.296 -0.240
539 HB3 PRO 93 HB3 PRO 93 161.538 -6.934 0.387
540 HG2 PRO 93 HG2 PRO 93 160.823 -6.273 -2.139
541 HG3 PRO 93 HG3 PRO 93 159.693 -7.201 -1.101
542 HD2 PRO 93 HD2 PRO 93 159.659 -4.250 -1.746
543 HD3 PRO 93 HD3 PRO 93 158.299 -5.410 -1.647
544 HA HYP 94 HA HYP 94 162.776 -2.815 3.160
545 HB2 HYP 94 HB2 HYP 94 161.001 -0.450 2.530
546 HB3 HYP 94 HB3 HYP 94 162.777 -0.491 2.735
547 HG HYP 94 HG HYP 94 161.662 -0.439 0.268
548 HD22 HYP 94 HD22 HYP 94 160.090 -2.158 0.491
549 HD23 HYP 94 HD23 HYP 94 161.438 -3.100 -0.198
550 HD1 HYP 94 HD1 HYP 94 163.660 -2.378 0.946
551 H GLY 95 H GLY 95 162.717 -2.091 5.310
552 HA2 GLY 95 HA2 GLY 95 160.448 -1.191 6.763
553 HA3 GLY 95 HA3 GLY 95 160.578 -2.937 6.981
554 HN1 NH2 96 HN1 NH2 96 160.770 -1.758 9.283
555 HN2 NH2 96 HN2 NH2 96 162.424 -1.560 9.829
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 74.243 10.471 5.065
2 H2 ACE 1 H2 ACE 1 72.639 10.191 5.785
3 H3 ACE 1 H3 ACE 1 74.100 9.567 6.585
4 HA PRO 2 HA PRO 2 72.334 6.550 3.302
5 HB2 PRO 2 HB2 PRO 2 71.996 7.259 0.695
6 HB3 PRO 2 HB3 PRO 2 70.850 7.761 1.974
7 HG2 PRO 2 HG3 PRO 2 73.178 9.356 0.841
8 HG3 PRO 2 HG2 PRO 2 71.469 9.875 1.014
9 HD2 PRO 2 HD3 PRO 2 73.357 10.492 2.880
10 HD3 PRO 2 HD2 PRO 2 71.677 10.097 3.355
11 H LYS 3 H LYS 3 75.217 8.277 2.866
12 HA LYS 3 HA LYS 3 76.505 6.973 0.690
13 HB2 LYS 3 HB2 LYS 3 77.625 8.313 3.193
14 HB3 LYS 3 HB3 LYS 3 78.616 7.784 1.828
15 HG2 LYS 3 HG2 LYS 3 77.305 9.237 0.297
16 HG3 LYS 3 HG3 LYS 3 76.373 9.853 1.665
17 HD2 LYS 3 HD2 LYS 3 79.405 10.088 1.413
18 HD3 LYS 3 HD3 LYS 3 78.260 11.328 0.883
19 HE2 LYS 3 HE2 LYS 3 77.370 11.523 3.190
20 HE3 LYS 3 HE3 LYS 3 78.523 10.300 3.747
21 HZ1 LYS 3 HZ1 LYS 3 79.275 12.920 2.551
22 HZ2 LYS 3 HZ2 LYS 3 79.339 12.563 4.142
23 HZ3 LYS 3 HZ3 LYS 3 80.331 11.797 3.097
24 H GLY 4 H GLY 4 78.143 5.439 0.599
25 HA2 GLY 4 HA2 GLY 4 78.003 3.221 2.601
26 HA3 GLY 4 HA3 GLY 4 78.394 3.068 0.898
27 HA PRO 5 HA PRO 5 82.087 3.092 3.725
28 HB2 PRO 5 HB2 PRO 5 83.354 0.806 2.899
29 HB3 PRO 5 HB3 PRO 5 81.917 0.801 3.966
30 HG2 PRO 5 HG2 PRO 5 81.993 0.420 0.953
31 HG3 PRO 5 HG3 PRO 5 81.164 -0.597 2.175
32 HD2 PRO 5 HD2 PRO 5 79.849 1.339 0.788
33 HD3 PRO 5 HD3 PRO 5 79.476 1.022 2.510
34 H LYS 6 H LYS 6 84.038 4.036 3.465
35 HA LYS 6 HA LYS 6 85.440 4.205 0.871
36 HB2 LYS 6 HB2 LYS 6 85.663 6.042 2.556
37 HB3 LYS 6 HB3 LYS 6 86.393 4.890 3.689
38 HG2 LYS 6 HG2 LYS 6 88.253 4.496 2.102
39 HG3 LYS 6 HG3 LYS 6 87.533 5.603 0.940
40 HD2 LYS 6 HD2 LYS 6 87.862 7.494 2.442
41 HD3 LYS 6 HD3 LYS 6 88.430 6.405 3.729
42 HE2 LYS 6 HE2 LYS 6 90.293 5.648 2.289
43 HE3 LYS 6 HE3 LYS 6 89.755 6.722 0.992
44 HZ1 LYS 6 HZ1 LYS 6 90.595 7.686 3.679
45 HZ2 LYS 6 HZ2 LYS 6 91.597 7.598 2.394
46 HZ3 LYS 6 HZ3 LYS 6 90.300 8.615 2.359
47 H GLY 7 H GLY 7 87.035 2.817 0.215
48 HA2 GLY 7 HA2 GLY 7 87.223 0.199 1.367
49 HA3 GLY 7 HA3 GLY 7 88.265 0.843 0.104
50 HA PRO 8 HA PRO 8 90.541 0.580 4.297
51 HB2 PRO 8 HB2 PRO 8 91.742 -1.886 4.236
52 HB3 PRO 8 HB3 PRO 8 90.094 -1.606 4.875
53 HG2 PRO 8 HG2 PRO 8 90.874 -2.530 2.093
54 HG3 PRO 8 HG3 PRO 8 89.678 -3.276 3.206
55 HD2 PRO 8 HD2 PRO 8 88.862 -1.583 1.255
56 HD3 PRO 8 HD3 PRO 8 88.135 -1.506 2.879
57 H LYS 9 H LYS 9 92.721 0.941 4.591
58 HA LYS 9 HA LYS 9 94.365 1.692 2.335
59 HB2 LYS 9 HB2 LYS 9 94.387 2.838 4.557
60 HB3 LYS 9 HB3 LYS 9 94.988 1.364 5.314
61 HG2 LYS 9 HG2 LYS 9 97.096 1.518 4.143
62 HG3 LYS 9 HG3 LYS 9 96.506 2.851 3.130
63 HD2 LYS 9 HD2 LYS 9 96.342 4.331 5.033
64 HD3 LYS 9 HD3 LYS 9 96.707 3.033 6.175
65 HE2 LYS 9 HE2 LYS 9 98.649 3.893 3.983
66 HE3 LYS 9 HE3 LYS 9 98.594 4.687 5.560
67 HZ1 LYS 9 HZ1 LYS 9 99.141 1.788 5.178
68 HZ2 LYS 9 HZ2 LYS 9 100.260 2.935 5.550
69 HZ3 LYS 9 HZ3 LYS 9 99.084 2.567 6.619
70 H GLY 10 H GLY 10 96.136 0.742 1.438
71 HA2 GLY 10 HA2 GLY 10 96.284 -2.152 1.519
72 HA3 GLY 10 HA3 GLY 10 97.277 -1.083 0.542
73 HA PRO 11 HA PRO 11 99.694 -2.926 4.214
74 HB2 PRO 11 HB2 PRO 11 100.993 -5.051 3.088
75 HB3 PRO 11 HB3 PRO 11 99.315 -5.157 3.699
76 HG2 PRO 11 HG2 PRO 11 100.219 -4.656 0.839
77 HG3 PRO 11 HG3 PRO 11 99.052 -5.888 1.425
78 HD2 PRO 11 HD2 PRO 11 98.192 -3.508 0.446
79 HD3 PRO 11 HD3 PRO 11 97.404 -4.250 1.867
80 H LYS 12 H LYS 12 101.918 -2.763 4.634
81 HA LYS 12 HA LYS 12 103.534 -0.942 3.157
82 HB2 LYS 12 HB2 LYS 12 103.711 -1.408 5.605
83 HB3 LYS 12 HB3 LYS 12 104.287 -3.035 5.246
84 HG2 LYS 12 HG2 LYS 12 106.317 -2.130 4.203
85 HG3 LYS 12 HG3 LYS 12 105.736 -0.474 4.434
86 HD2 LYS 12 HD2 LYS 12 105.790 -0.796 6.893
87 HD3 LYS 12 HD3 LYS 12 106.305 -2.484 6.661
88 HE2 LYS 12 HE2 LYS 12 108.324 -1.655 5.424
89 HE3 LYS 12 HE3 LYS 12 107.841 0.010 5.785
90 HZ1 LYS 12 HZ1 LYS 12 108.459 -2.053 7.842
91 HZ2 LYS 12 HZ2 LYS 12 109.499 -0.894 7.348
92 HZ3 LYS 12 HZ3 LYS 12 108.118 -0.477 8.144
93 H GLY 13 H GLY 13 105.218 -1.169 1.751
94 HA2 GLY 13 HA2 GLY 13 105.268 -3.498 0.027
95 HA3 GLY 13 HA3 GLY 13 106.302 -2.082 -0.091
96 HA PRO 14 HA PRO 14 108.619 -5.863 1.629
97 HB2 PRO 14 HB2 PRO 14 109.958 -6.800 -0.562
98 HB3 PRO 14 HB3 PRO 14 108.266 -7.257 -0.192
99 HG2 PRO 14 HG2 PRO 14 109.232 -5.074 -2.065
100 HG3 PRO 14 HG3 PRO 14 108.048 -6.376 -2.413
101 HD2 PRO 14 HD2 PRO 14 107.225 -3.890 -1.678
102 HD3 PRO 14 HD3 PRO 14 106.385 -5.347 -1.082
103 H LYS 15 H LYS 15 110.807 -5.939 2.192
104 HA LYS 15 HA LYS 15 112.400 -3.577 2.181
105 HB2 LYS 15 HB2 LYS 15 112.550 -5.545 3.776
106 HB3 LYS 15 HB3 LYS 15 113.328 -6.465 2.482
107 HG2 LYS 15 HG2 LYS 15 115.083 -4.612 2.398
108 HG3 LYS 15 HG3 LYS 15 114.339 -3.910 3.823
109 HD2 LYS 15 HD2 LYS 15 116.206 -5.164 4.584
110 HD3 LYS 15 HD3 LYS 15 114.789 -6.142 5.005
111 HE2 LYS 15 HE2 LYS 15 115.153 -7.554 3.005
112 HE3 LYS 15 HE3 LYS 15 116.488 -6.511 2.485
113 HZ1 LYS 15 HZ1 LYS 15 116.513 -8.045 5.037
114 HZ2 LYS 15 HZ2 LYS 15 117.217 -8.561 3.657
115 HZ3 LYS 15 HZ3 LYS 15 117.777 -7.212 4.378
116 H GLY 16 H GLY 16 114.036 -2.837 0.889
117 HA2 GLY 16 HA2 GLY 16 114.147 -3.606 -1.878
118 HA3 GLY 16 HA3 GLY 16 115.233 -2.480 -1.070
119 HA PRO 17 HA PRO 17 117.394 -6.608 -2.028
120 HB2 PRO 17 HB2 PRO 17 118.647 -6.141 -4.404
121 HB3 PRO 17 HB3 PRO 17 116.935 -6.653 -4.303
122 HG2 PRO 17 HG2 PRO 17 118.016 -3.834 -4.609
123 HG3 PRO 17 HG3 PRO 17 116.741 -4.638 -5.581
124 HD2 PRO 17 HD2 PRO 17 116.143 -2.992 -3.482
125 HD3 PRO 17 HD3 PRO 17 115.162 -4.443 -3.847
126 H LYS 18 H LYS 18 119.631 -7.056 -1.833
127 HA LYS 18 HA LYS 18 121.207 -5.287 -0.278
128 HB2 LYS 18 HB2 LYS 18 121.319 -7.784 -0.339
129 HB3 LYS 18 HB3 LYS 18 122.055 -7.697 -1.946
130 HG2 LYS 18 HG2 LYS 18 124.006 -6.512 -0.997
131 HG3 LYS 18 HG3 LYS 18 123.256 -6.535 0.612
132 HD2 LYS 18 HD2 LYS 18 123.355 -8.977 0.669
133 HD3 LYS 18 HD3 LYS 18 123.909 -9.031 -1.021
134 HE2 LYS 18 HE2 LYS 18 125.947 -7.778 -0.412
135 HE3 LYS 18 HE3 LYS 18 125.429 -7.717 1.281
136 HZ1 LYS 18 HZ1 LYS 18 125.928 -10.245 -0.210
137 HZ2 LYS 18 HZ2 LYS 18 127.039 -9.519 0.738
138 HZ3 LYS 18 HZ3 LYS 18 125.647 -10.109 1.401
139 H GLY 19 H GLY 19 122.995 -4.023 -0.663
140 HA2 GLY 19 HA2 GLY 19 123.209 -2.680 -3.214
141 HA3 GLY 19 HA3 GLY 19 124.242 -2.431 -1.813
142 HA PRO 20 HA PRO 20 126.528 -4.872 -5.198
143 HB2 PRO 20 HB2 PRO 20 127.884 -2.936 -6.566
144 HB3 PRO 20 HB3 PRO 20 126.194 -3.388 -6.942
145 HG2 PRO 20 HG2 PRO 20 127.157 -1.078 -5.221
146 HG3 PRO 20 HG3 PRO 20 125.968 -1.036 -6.563
147 HD2 PRO 20 HD2 PRO 20 125.173 -1.209 -3.959
148 HD3 PRO 20 HD3 PRO 20 124.309 -2.079 -5.257
149 H LYS 21 H LYS 21 128.659 -5.532 -5.033
150 HA LYS 21 HA LYS 21 130.194 -4.902 -2.681
151 HB2 LYS 21 HB2 LYS 21 130.169 -7.126 -3.821
152 HB3 LYS 21 HB3 LYS 21 130.896 -6.406 -5.255
153 HG2 LYS 21 HG2 LYS 21 132.969 -5.975 -4.099
154 HG3 LYS 21 HG3 LYS 21 132.274 -6.444 -2.538
155 HD2 LYS 21 HD2 LYS 21 132.031 -8.737 -3.232
156 HD3 LYS 21 HD3 LYS 21 132.474 -8.365 -4.902
157 HE2 LYS 21 HE2 LYS 21 134.347 -7.930 -2.528
158 HE3 LYS 21 HE3 LYS 21 134.273 -9.445 -3.433
159 HZ1 LYS 21 HZ1 LYS 21 134.970 -6.814 -4.638
160 HZ2 LYS 21 HZ2 LYS 21 136.029 -8.025 -4.302
161 HZ3 LYS 21 HZ3 LYS 21 134.884 -8.239 -5.446
162 H GLY 22 H GLY 22 132.095 -3.831 -2.368
163 HA2 GLY 22 HA2 GLY 22 132.498 -1.449 -3.976
164 HA3 GLY 22 HA3 GLY 22 133.391 -1.897 -2.530
165 HA PRO 23 HA PRO 23 135.996 -2.606 -6.457
166 HB2 PRO 23 HB2 PRO 23 137.375 -0.271 -6.763
167 HB3 PRO 23 HB3 PRO 23 135.718 -0.502 -7.398
168 HG2 PRO 23 HG2 PRO 23 136.534 0.787 -4.772
169 HG3 PRO 23 HG3 PRO 23 135.445 1.453 -6.033
170 HD2 PRO 23 HD2 PRO 23 134.453 0.160 -3.856
171 HD3 PRO 23 HD3 PRO 23 133.716 -0.050 -5.468
172 H LYS 24 H LYS 24 138.252 -2.963 -6.582
173 HA LYS 24 HA LYS 24 139.647 -3.678 -4.180
174 HB2 LYS 24 HB2 LYS 24 139.926 -4.769 -6.412
175 HB3 LYS 24 HB3 LYS 24 140.589 -3.269 -7.061
176 HG2 LYS 24 HG2 LYS 24 142.548 -3.445 -5.617
177 HG3 LYS 24 HG3 LYS 24 141.890 -4.887 -4.824
178 HD2 LYS 24 HD2 LYS 24 142.011 -6.138 -6.925
179 HD3 LYS 24 HD3 LYS 24 142.479 -4.668 -7.812
180 HE2 LYS 24 HE2 LYS 24 144.538 -4.495 -6.421
181 HE3 LYS 24 HE3 LYS 24 144.097 -5.996 -5.588
182 HZ1 LYS 24 HZ1 LYS 24 144.645 -5.755 -8.507
183 HZ2 LYS 24 HZ2 LYS 24 145.672 -6.390 -7.400
184 HZ3 LYS 24 HZ3 LYS 24 144.256 -7.149 -7.735
185 H GLY 25 H GLY 25 141.387 -2.807 -3.125
186 HA2 GLY 25 HA2 GLY 25 141.649 0.099 -3.108
187 HA3 GLY 25 HA3 GLY 25 142.502 -1.042 -2.081
188 HA PRO 26 HA PRO 26 145.330 0.692 -5.490
189 HB2 PRO 26 HB2 PRO 26 146.697 2.671 -4.200
190 HB3 PRO 26 HB3 PRO 26 145.082 2.933 -4.926
191 HG2 PRO 26 HG2 PRO 26 145.737 2.279 -2.038
192 HG3 PRO 26 HG3 PRO 26 144.707 3.613 -2.654
193 HD2 PRO 26 HD2 PRO 26 143.623 1.263 -1.808
194 HD3 PRO 26 HD3 PRO 26 142.963 2.125 -3.227
195 H LYS 27 H LYS 27 147.636 0.424 -5.672
196 HA LYS 27 HA LYS 27 148.786 -1.728 -4.207
197 HB2 LYS 27 HB2 LYS 27 149.372 -0.977 -6.544
198 HB3 LYS 27 HB3 LYS 27 150.219 0.408 -5.837
199 HG2 LYS 27 HG2 LYS 27 151.670 -1.218 -4.579
200 HG3 LYS 27 HG3 LYS 27 150.853 -2.551 -5.381
201 HD2 LYS 27 HD2 LYS 27 152.913 -2.206 -6.528
202 HD3 LYS 27 HD3 LYS 27 151.649 -1.566 -7.596
203 HE2 LYS 27 HE2 LYS 27 152.131 0.735 -6.746
204 HE3 LYS 27 HE3 LYS 27 153.373 0.075 -5.668
205 HZ1 LYS 27 HZ1 LYS 27 153.486 -0.203 -8.632
206 HZ2 LYS 27 HZ2 LYS 27 154.230 1.000 -7.817
207 HZ3 LYS 27 HZ3 LYS 27 154.694 -0.539 -7.560
208 H GLY 28 H GLY 28 150.274 -1.867 -2.581
209 HA2 GLY 28 HA2 GLY 28 150.292 0.129 -0.531
210 HA3 GLY 28 HA3 GLY 28 151.270 -1.335 -0.567
211 HA PRO 29 HA PRO 29 153.847 2.599 -1.260
212 HB2 PRO 29 HB2 PRO 29 154.931 3.032 1.226
213 HB3 PRO 29 HB3 PRO 29 153.336 3.663 0.719
214 HG2 PRO 29 HG2 PRO 29 153.929 1.159 2.311
215 HG3 PRO 29 HG3 PRO 29 152.727 2.437 2.672
216 HD2 PRO 29 HD2 PRO 29 152.030 0.112 1.424
217 HD3 PRO 29 HD3 PRO 29 151.265 1.671 0.994
218 H LYS 30 H LYS 30 156.069 2.714 -1.520
219 HA LYS 30 HA LYS 30 157.626 0.172 -1.137
220 HB2 LYS 30 HB2 LYS 30 158.592 0.536 -3.312
221 HB3 LYS 30 HB3 LYS 30 156.834 0.548 -3.441
222 HG2 LYS 30 HG2 LYS 30 156.830 3.023 -3.526
223 HG3 LYS 30 HG3 LYS 30 158.585 3.058 -3.357
224 HD2 LYS 30 HD2 LYS 30 157.100 1.760 -5.683
225 HD3 LYS 30 HD3 LYS 30 157.748 3.408 -5.678
226 HE2 LYS 30 HE2 LYS 30 160.038 2.473 -5.214
227 HE3 LYS 30 HE3 LYS 30 159.376 0.842 -5.387
228 HZ1 LYS 30 HZ1 LYS 30 160.346 1.618 -7.472
229 HZ2 LYS 30 HZ2 LYS 30 158.734 1.441 -7.684
230 HZ3 LYS 30 HZ3 LYS 30 159.384 2.933 -7.507
231 H GLY 31 H GLY 31 157.656 3.322 -0.071
232 HA2 GLY 31 HA2 GLY 31 160.266 3.266 1.059
233 HA3 GLY 31 HA3 GLY 31 160.330 4.196 -0.441
234 HN1 NH2 32 HN1 NH2 32 161.024 5.741 1.498
235 HN2 NH2 32 HN2 NH2 32 159.723 6.749 2.101
236 H1 ACE 33 H1 ACE 33 75.162 3.247 1.318
237 H2 ACE 33 H2 ACE 33 74.121 1.807 1.304
238 H3 ACE 33 H3 ACE 33 75.770 1.702 1.958
239 H ASP 34 H ASP 34 74.056 2.692 -1.011
240 HA ASP 34 HA ASP 34 75.354 0.782 -2.666
241 HB2 ASP 34 HB2 ASP 34 73.751 3.255 -3.394
242 HB3 ASP 34 HB3 ASP 34 74.305 2.050 -4.551
243 HA HYP 35 HA HYP 35 78.354 3.961 -4.447
244 HB2 HYP 35 HB2 HYP 35 78.628 6.503 -3.592
245 HB3 HYP 35 HB3 HYP 35 77.234 5.995 -4.589
246 HG HYP 35 HG HYP 35 77.344 6.376 -1.577
247 HD22 HYP 35 HD22 HYP 35 75.961 4.588 -1.225
248 HD23 HYP 35 HD23 HYP 35 75.064 4.856 -2.745
249 HD1 HYP 35 HD1 HYP 35 76.381 8.012 -2.910
250 H GLY 36 H GLY 36 80.642 4.376 -4.024
251 HA2 GLY 36 HA2 GLY 36 81.577 4.802 -1.298
252 HA3 GLY 36 HA3 GLY 36 81.966 3.194 -1.877
253 H ASP 37 H ASP 37 83.729 5.219 -1.096
254 HA ASP 37 HA ASP 37 85.297 6.048 -3.430
255 HB2 ASP 37 HB2 ASP 37 85.335 6.656 -0.488
256 HB3 ASP 37 HB3 ASP 37 86.762 6.918 -1.476
257 HA HYP 38 HA HYP 38 88.237 2.554 -3.049
258 HB2 HYP 38 HB2 HYP 38 90.172 4.642 -4.008
259 HB3 HYP 38 HB3 HYP 38 89.949 2.970 -4.588
260 HG HYP 38 HG HYP 38 89.018 5.131 -5.974
261 HD22 HYP 38 HD22 HYP 38 87.730 6.185 -4.313
262 HD23 HYP 38 HD23 HYP 38 86.468 5.134 -5.019
263 HD1 HYP 38 HD1 HYP 38 87.416 3.756 -6.813
264 H GLY 39 H GLY 39 90.111 2.003 -1.795
265 HA2 GLY 39 HA2 GLY 39 90.699 3.702 0.552
266 HA3 GLY 39 HA3 GLY 39 91.231 2.050 0.271
267 H ASP 40 H ASP 40 92.961 3.897 1.330
268 HA ASP 40 HA ASP 40 94.580 5.202 -0.680
269 HB2 ASP 40 HB2 ASP 40 94.689 4.859 2.333
270 HB3 ASP 40 HB3 ASP 40 96.029 5.577 1.458
271 HA HYP 41 HA HYP 41 97.669 2.053 -1.366
272 HB2 HYP 41 HB2 HYP 41 99.965 3.738 -1.588
273 HB3 HYP 41 HB3 HYP 41 98.913 3.136 -2.885
274 HG HYP 41 HG HYP 41 99.011 5.814 -1.616
275 HD22 HYP 41 HD22 HYP 41 96.876 5.978 -0.882
276 HD23 HYP 41 HD23 HYP 41 96.225 5.139 -2.319
277 HD1 HYP 41 HD1 HYP 41 98.204 6.388 -3.634
278 H GLY 42 H GLY 42 99.421 0.969 -0.370
279 HA2 GLY 42 HA2 GLY 42 99.894 1.475 2.465
280 HA3 GLY 42 HA3 GLY 42 100.612 0.209 1.481
281 H ASP 43 H ASP 43 102.099 1.451 3.403
282 HA ASP 43 HA ASP 43 103.662 3.661 2.476
283 HB2 ASP 43 HB2 ASP 43 103.930 1.644 4.735
284 HB3 ASP 43 HB3 ASP 43 105.069 2.958 4.482
285 HA HYP 44 HA HYP 44 106.823 1.527 0.081
286 HB2 HYP 44 HB2 HYP 44 108.823 3.379 1.305
287 HB3 HYP 44 HB3 HYP 44 108.485 3.067 -0.418
288 HG HYP 44 HG HYP 44 107.686 5.362 0.890
289 HD22 HYP 44 HD22 HYP 44 106.350 4.463 2.580
290 HD23 HYP 44 HD23 HYP 44 105.109 4.603 1.301
291 HD1 HYP 44 HD1 HYP 44 107.221 5.085 -1.291
292 H GLY 45 H GLY 45 108.415 -0.043 0.338
293 HA2 GLY 45 HA2 GLY 45 108.925 -1.189 2.949
294 HA3 GLY 45 HA3 GLY 45 109.685 -1.645 1.434
295 H ASP 46 H ASP 46 111.108 -1.598 3.844
296 HA ASP 46 HA ASP 46 112.647 0.825 4.129
297 HB2 ASP 46 HB2 ASP 46 112.793 -1.993 5.233
298 HB3 ASP 46 HB3 ASP 46 114.101 -0.855 5.495
299 HA HYP 47 HA HYP 47 115.882 0.242 1.086
300 HB2 HYP 47 HB2 HYP 47 117.833 0.841 3.290
301 HB3 HYP 47 HB3 HYP 47 117.714 1.572 1.667
302 HG HYP 47 HG HYP 47 116.836 2.841 3.942
303 HD22 HYP 47 HD22 HYP 47 115.298 1.303 4.777
304 HD23 HYP 47 HD23 HYP 47 114.202 2.183 3.674
305 HD1 HYP 47 HD1 HYP 47 116.601 3.822 1.935
306 H GLY 48 H GLY 48 117.395 -1.276 0.391
307 HA2 GLY 48 HA2 GLY 48 117.686 -3.800 1.762
308 HA3 GLY 48 HA3 GLY 48 118.540 -3.284 0.329
309 H ASP 49 H ASP 49 119.727 -4.876 2.213
310 HA ASP 49 HA ASP 49 121.281 -3.457 4.149
311 HB2 ASP 49 HB2 ASP 49 121.460 -6.222 2.890
312 HB3 ASP 49 HB3 ASP 49 122.505 -5.671 4.189
313 HA HYP 50 HA HYP 50 124.692 -1.882 1.746
314 HB2 HYP 50 HB2 HYP 50 126.536 -3.085 3.781
315 HB3 HYP 50 HB3 HYP 50 126.480 -1.412 3.164
316 HG HYP 50 HG HYP 50 125.498 -2.133 5.632
317 HD22 HYP 50 HD22 HYP 50 123.915 -3.744 5.071
318 HD23 HYP 50 HD23 HYP 50 122.879 -2.302 4.870
319 HD1 HYP 50 HD1 HYP 50 125.364 0.000 4.889
320 H GLY 51 H GLY 51 126.177 -2.475 0.199
321 HA2 GLY 51 HA2 GLY 51 126.607 -5.273 -0.500
322 HA3 GLY 51 HA3 GLY 51 127.393 -3.876 -1.217
323 H ASP 52 H ASP 52 128.763 -6.257 -0.691
324 HA ASP 52 HA ASP 52 130.167 -6.188 1.796
325 HB2 ASP 52 HB2 ASP 52 130.459 -7.691 -0.809
326 HB3 ASP 52 HB3 ASP 52 131.686 -7.808 0.431
327 HA HYP 53 HA HYP 53 133.521 -3.318 0.953
328 HB2 HYP 53 HB2 HYP 53 135.277 -5.279 2.386
329 HB3 HYP 53 HB3 HYP 53 135.075 -3.529 2.674
330 HG HYP 53 HG HYP 53 133.962 -5.453 4.299
331 HD22 HYP 53 HD22 HYP 53 132.662 -6.640 2.767
332 HD23 HYP 53 HD23 HYP 53 131.471 -5.383 3.209
333 HD1 HYP 53 HD1 HYP 53 133.627 -3.268 4.729
334 H GLY 54 H GLY 54 135.283 -3.061 -0.410
335 HA2 GLY 54 HA2 GLY 54 135.750 -5.064 -2.461
336 HA3 GLY 54 HA3 GLY 54 136.542 -3.501 -2.304
337 H ASP 55 H ASP 55 137.949 -5.669 -3.183
338 HA ASP 55 HA ASP 55 139.308 -7.145 -1.161
339 HB2 ASP 55 HB2 ASP 55 139.803 -6.611 -4.112
340 HB3 ASP 55 HB3 ASP 55 140.820 -7.669 -3.144
341 HA HYP 56 HA HYP 56 142.660 -4.305 -0.004
342 HB2 HYP 56 HB2 HYP 56 144.327 -6.804 -0.008
343 HB3 HYP 56 HB3 HYP 56 144.208 -5.540 1.244
344 HG HYP 56 HG HYP 56 142.987 -7.980 1.485
345 HD22 HYP 56 HD22 HYP 56 141.682 -8.036 -0.456
346 HD23 HYP 56 HD23 HYP 56 140.513 -7.209 0.614
347 HD1 HYP 56 HD1 HYP 56 141.503 -6.968 2.853
348 H GLY 57 H GLY 57 144.313 -3.240 -1.076
349 HA2 GLY 57 HA2 GLY 57 144.945 -3.809 -3.838
350 HA3 GLY 57 HA3 GLY 57 145.768 -2.665 -2.786
351 H ASP 58 H ASP 58 147.188 -4.156 -4.673
352 HA ASP 58 HA ASP 58 148.409 -6.488 -3.479
353 HB2 ASP 58 HB2 ASP 58 148.912 -4.771 -5.924
354 HB3 ASP 58 HB3 ASP 58 150.076 -5.984 -5.428
355 HA HYP 59 HA HYP 59 151.600 -4.702 -0.962
356 HB2 HYP 59 HB2 HYP 59 153.598 -6.478 -2.318
357 HB3 HYP 59 HB3 HYP 59 153.251 -6.302 -0.579
358 HG HYP 59 HG HYP 59 152.414 -8.456 -2.086
359 HD22 HYP 59 HD22 HYP 59 151.103 -7.426 -3.702
360 HD23 HYP 59 HD23 HYP 59 149.853 -7.578 -2.436
361 HD1 HYP 59 HD1 HYP 59 151.931 -8.355 0.107
362 H GLY 60 H GLY 60 153.335 -3.213 -0.980
363 HA2 GLY 60 HA2 GLY 60 154.113 -1.750 -3.318
364 HA3 GLY 60 HA3 GLY 60 154.937 -1.764 -1.783
365 H ASP 61 H ASP 61 156.283 -1.532 -4.225
366 HA ASP 61 HA ASP 61 157.385 -4.027 -5.118
367 HB2 ASP 61 HB2 ASP 61 158.189 -1.114 -5.433
368 HB3 ASP 61 HB3 ASP 61 159.011 -2.453 -6.215
369 HA HYP 62 HA HYP 62 160.615 -4.540 -1.953
370 HB2 HYP 62 HB2 HYP 62 162.047 -5.796 -4.302
371 HB3 HYP 62 HB3 HYP 62 161.918 -6.395 -2.625
372 HG HYP 62 HG HYP 62 160.387 -7.426 -4.625
373 HD22 HYP 62 HD22 HYP 62 159.445 -5.474 -5.516
374 HD23 HYP 62 HD23 HYP 62 158.195 -5.854 -4.294
375 HD1 HYP 62 HD1 HYP 62 159.672 -6.758 -1.961
376 H GLY 63 H GLY 63 162.758 -3.885 -1.489
377 HA2 GLY 63 HA2 GLY 63 164.346 -2.322 -3.410
378 HA3 GLY 63 HA3 GLY 63 163.621 -1.386 -2.097
379 HN1 NH2 64 HN1 NH2 64 164.817 -4.744 -1.630
380 HN2 NH2 64 HN2 NH2 64 166.162 -4.275 -0.613
381 H1 ACE 65 H1 ACE 65 84.229 -5.633 -8.035
382 H2 ACE 65 H2 ACE 65 85.020 -4.052 -8.249
383 H3 ACE 65 H3 ACE 65 83.632 -4.495 -9.264
384 HA PRO 66 HA PRO 66 81.671 -3.778 -4.932
385 HB2 PRO 66 HB2 PRO 66 83.223 -3.157 -2.754
386 HB3 PRO 66 HB3 PRO 66 82.935 -4.837 -3.301
387 HG2 PRO 66 HG2 PRO 66 85.304 -3.051 -3.935
388 HG3 PRO 66 HG3 PRO 66 85.330 -4.737 -3.321
389 HD2 PRO 66 HD2 PRO 66 85.602 -4.164 -5.969
390 HD3 PRO 66 HD3 PRO 66 84.690 -5.605 -5.426
391 HA HYP 67 HA HYP 67 81.260 0.610 -5.223
392 HB2 HYP 67 HB2 HYP 67 80.909 0.735 -2.220
393 HB3 HYP 67 HB3 HYP 67 79.940 1.510 -3.504
394 HG HYP 67 HG HYP 67 79.093 -0.764 -2.282
395 HD22 HYP 67 HD22 HYP 67 80.975 -2.144 -2.535
396 HD23 HYP 67 HD23 HYP 67 80.124 -2.569 -4.046
397 HD1 HYP 67 HD1 HYP 67 78.115 0.246 -4.149
398 H GLY 68 H GLY 68 83.208 -0.128 -2.275
399 HA2 GLY 68 HA2 GLY 68 85.205 1.974 -3.035
400 HA3 GLY 68 HA3 GLY 68 84.654 1.686 -1.394
401 HA PRO 69 HA PRO 69 87.218 -2.158 -2.744
402 HB2 PRO 69 HB2 PRO 69 89.141 -1.881 -4.700
403 HB3 PRO 69 HB3 PRO 69 87.424 -2.252 -5.031
404 HG2 PRO 69 HG2 PRO 69 88.780 0.464 -5.070
405 HG3 PRO 69 HG3 PRO 69 87.725 -0.263 -6.326
406 HD2 PRO 69 HD2 PRO 69 86.746 1.479 -4.495
407 HD3 PRO 69 HD3 PRO 69 85.785 0.062 -5.011
408 HA HYP 70 HA HYP 70 90.901 -1.398 -0.181
409 HB2 HYP 70 HB2 HYP 70 92.205 -3.569 -1.793
410 HB3 HYP 70 HB3 HYP 70 92.115 -3.388 -0.022
411 HG HYP 70 HG HYP 70 90.565 -5.163 -1.426
412 HD22 HYP 70 HD22 HYP 70 89.425 -3.770 -2.901
413 HD23 HYP 70 HD23 HYP 70 88.326 -3.597 -1.502
414 HD1 HYP 70 HD1 HYP 70 89.105 -5.048 0.290
415 H GLY 71 H GLY 71 92.875 -0.337 -0.257
416 HA2 GLY 71 HA2 GLY 71 93.637 0.946 -2.757
417 HA3 GLY 71 HA3 GLY 71 94.409 1.152 -1.193
418 HA PRO 72 HA PRO 72 96.939 -1.629 -4.123
419 HB2 PRO 72 HB2 PRO 72 98.930 0.405 -4.633
420 HB3 PRO 72 HB3 PRO 72 97.838 -0.404 -5.782
421 HG2 PRO 72 HG2 PRO 72 97.691 2.315 -4.826
422 HG3 PRO 72 HG3 PRO 72 96.566 1.467 -5.917
423 HD2 PRO 72 HD2 PRO 72 96.209 2.133 -3.095
424 HD3 PRO 72 HD3 PRO 72 95.025 1.523 -4.280
425 HA HYP 73 HA HYP 73 99.987 -2.335 -0.839
426 HB2 HYP 73 HB2 HYP 73 102.036 -3.488 -2.455
427 HB3 HYP 73 HB3 HYP 73 100.756 -4.332 -1.559
428 HG HYP 73 HG HYP 73 100.989 -3.832 -4.459
429 HD22 HYP 73 HD22 HYP 73 99.209 -2.511 -4.803
430 HD23 HYP 73 HD23 HYP 73 98.166 -3.544 -3.788
431 HD1 HYP 73 HD1 HYP 73 100.613 -5.906 -3.685
432 H GLY 74 H GLY 74 102.036 -1.494 -0.111
433 HA2 GLY 74 HA2 GLY 74 102.917 0.973 -1.303
434 HA3 GLY 74 HA3 GLY 74 103.713 0.105 0.002
435 HA PRO 75 HA PRO 75 105.972 -0.499 -4.162
436 HB2 PRO 75 HB2 PRO 75 107.890 1.620 -3.749
437 HB3 PRO 75 HB3 PRO 75 106.738 1.396 -5.089
438 HG2 PRO 75 HG2 PRO 75 106.607 3.335 -2.974
439 HG3 PRO 75 HG3 PRO 75 105.381 2.997 -4.223
440 HD2 PRO 75 HD2 PRO 75 105.348 2.235 -1.390
441 HD3 PRO 75 HD3 PRO 75 104.034 2.232 -2.593
442 HA HYP 76 HA HYP 76 109.375 -2.656 -2.009
443 HB2 HYP 76 HB2 HYP 76 110.921 -2.006 -4.499
444 HB3 HYP 76 HB3 HYP 76 110.767 -3.570 -3.657
445 HG HYP 76 HG HYP 76 109.422 -2.981 -5.983
446 HD22 HYP 76 HD22 HYP 76 108.229 -1.077 -5.380
447 HD23 HYP 76 HD23 HYP 76 107.058 -2.301 -4.804
448 HD1 HYP 76 HD1 HYP 76 109.126 -4.968 -4.966
449 H GLY 77 H GLY 77 111.200 -2.047 -0.817
450 HA2 GLY 77 HA2 GLY 77 111.904 0.740 -0.595
451 HA3 GLY 77 HA3 GLY 77 112.779 -0.604 0.128
452 HA PRO 78 HA PRO 78 115.074 1.147 -3.649
453 HB2 PRO 78 HB2 PRO 78 116.963 2.664 -2.072
454 HB3 PRO 78 HB3 PRO 78 115.838 3.238 -3.331
455 HG2 PRO 78 HG2 PRO 78 115.631 3.707 -0.521
456 HG3 PRO 78 HG3 PRO 78 114.386 4.006 -1.761
457 HD2 PRO 78 HD2 PRO 78 114.563 1.770 0.174
458 HD3 PRO 78 HD3 PRO 78 113.149 2.454 -0.673
459 HA HYP 79 HA HYP 79 118.372 -1.899 -3.121
460 HB2 HYP 79 HB2 HYP 79 120.136 0.076 -4.537
461 HB3 HYP 79 HB3 HYP 79 119.909 -1.662 -4.867
462 HG HYP 79 HG HYP 79 118.773 0.315 -6.396
463 HD22 HYP 79 HD22 HYP 79 117.503 1.483 -4.829
464 HD23 HYP 79 HD23 HYP 79 116.305 0.214 -5.216
465 HD1 HYP 79 HD1 HYP 79 117.272 -1.224 -7.013
466 H GLY 80 H GLY 80 120.091 -2.276 -1.716
467 HA2 GLY 80 HA2 GLY 80 120.605 -0.425 0.380
468 HA3 GLY 80 HA3 GLY 80 121.518 -1.902 0.074
469 HA PRO 81 HA PRO 81 123.976 2.007 -0.930
470 HB2 PRO 81 HB2 PRO 81 125.659 1.692 1.406
471 HB3 PRO 81 HB3 PRO 81 124.713 3.110 0.883
472 HG2 PRO 81 HG2 PRO 81 124.111 1.387 3.065
473 HG3 PRO 81 HG3 PRO 81 123.000 2.527 2.280
474 HD2 PRO 81 HD2 PRO 81 123.074 -0.412 1.998
475 HD3 PRO 81 HD3 PRO 81 121.747 0.744 1.732
476 HA HYP 82 HA HYP 82 127.266 -0.510 -2.784
477 HB2 HYP 82 HB2 HYP 82 128.925 1.976 -2.493
478 HB3 HYP 82 HB3 HYP 82 128.703 0.939 -3.925
479 HG HYP 82 HG HYP 82 127.461 3.375 -3.630
480 HD22 HYP 82 HD22 HYP 82 126.265 3.080 -1.656
481 HD23 HYP 82 HD23 HYP 82 125.074 2.385 -2.799
482 HD1 HYP 82 HD1 HYP 82 127.088 2.142 -5.465
483 H GLY 83 H GLY 83 128.995 -1.714 -2.042
484 HA2 GLY 83 HA2 GLY 83 129.780 -1.632 0.715
485 HA3 GLY 83 HA3 GLY 83 130.576 -2.542 -0.566
486 HA PRO 84 HA PRO 84 133.002 1.422 0.551
487 HB2 PRO 84 HB2 PRO 84 134.705 0.181 2.516
488 HB3 PRO 84 HB3 PRO 84 133.660 1.617 2.678
489 HG2 PRO 84 HG2 PRO 84 133.220 -0.974 3.822
490 HG3 PRO 84 HG3 PRO 84 132.069 0.383 3.735
491 HD2 PRO 84 HD2 PRO 84 132.120 -2.064 2.095
492 HD3 PRO 84 HD3 PRO 84 130.795 -0.917 2.417
493 HA HYP 85 HA HYP 85 136.279 -0.175 -2.182
494 HB2 HYP 85 HB2 HYP 85 137.914 2.032 -0.967
495 HB3 HYP 85 HB3 HYP 85 137.695 1.618 -2.687
496 HG HYP 85 HG HYP 85 136.436 3.744 -1.502
497 HD22 HYP 85 HD22 HYP 85 135.280 2.700 0.241
498 HD23 HYP 85 HD23 HYP 85 134.059 2.496 -1.052
499 HD1 HYP 85 HD1 HYP 85 134.830 3.518 -3.087
500 H GLY 86 H GLY 86 138.113 -1.479 -1.964
501 HA2 GLY 86 HA2 GLY 86 138.750 -2.553 0.635
502 HA3 GLY 86 HA3 GLY 86 139.611 -2.880 -0.865
503 HA PRO 87 HA PRO 87 141.939 0.114 2.036
504 HB2 PRO 87 HB2 PRO 87 143.688 -1.527 3.377
505 HB3 PRO 87 HB3 PRO 87 142.022 -1.197 3.939
506 HG2 PRO 87 HG2 PRO 87 143.004 -3.563 2.314
507 HG3 PRO 87 HG3 PRO 87 142.001 -3.587 3.800
508 HD2 PRO 87 HD2 PRO 87 140.874 -3.762 1.330
509 HD3 PRO 87 HD3 PRO 87 140.090 -2.822 2.633
510 HA HYP 88 HA HYP 88 145.598 0.213 -0.691
511 HB2 HYP 88 HB2 HYP 88 147.077 1.008 1.799
512 HB3 HYP 88 HB3 HYP 88 147.106 1.772 0.188
513 HG HYP 88 HG HYP 88 145.725 2.837 2.310
514 HD22 HYP 88 HD22 HYP 88 144.336 1.051 2.886
515 HD23 HYP 88 HD23 HYP 88 143.277 1.821 1.668
516 HD1 HYP 88 HD1 HYP 88 145.664 3.807 0.262
517 H GLY 89 H GLY 89 147.296 -1.225 -1.136
518 HA2 GLY 89 HA2 GLY 89 147.483 -3.693 0.312
519 HA3 GLY 89 HA3 GLY 89 148.613 -3.138 -0.920
520 HA PRO 90 HA PRO 90 150.410 -2.945 3.469
521 HB2 PRO 90 HB2 PRO 90 152.041 -5.162 3.537
522 HB3 PRO 90 HB3 PRO 90 150.313 -5.181 4.002
523 HG2 PRO 90 HG2 PRO 90 151.536 -5.921 1.334
524 HG3 PRO 90 HG3 PRO 90 150.345 -6.858 2.297
525 HD2 PRO 90 HD2 PRO 90 149.571 -5.265 0.228
526 HD3 PRO 90 HD3 PRO 90 148.587 -5.384 1.718
527 HA HYP 91 HA HYP 91 154.261 -1.076 1.995
528 HB2 HYP 91 HB2 HYP 91 155.562 -2.358 4.380
529 HB3 HYP 91 HB3 HYP 91 155.659 -0.664 3.826
530 HG HYP 91 HG HYP 91 154.100 -1.458 5.951
531 HD22 HYP 91 HD22 HYP 91 152.708 -3.041 4.969
532 HD23 HYP 91 HD23 HYP 91 151.749 -1.588 4.566
533 HD1 HYP 91 HD1 HYP 91 154.151 0.700 5.269
534 H GLY 92 H GLY 92 155.932 -1.726 0.660
535 HA2 GLY 92 HA2 GLY 92 155.813 -4.322 -0.361
536 HA3 GLY 92 HA3 GLY 92 157.100 -3.172 -0.722
537 HA PRO 93 HA PRO 93 158.505 -6.514 2.458
538 HB2 PRO 93 HB2 PRO 93 158.719 -8.949 1.185
539 HB3 PRO 93 HB3 PRO 93 157.251 -8.390 2.039
540 HG2 PRO 93 HG2 PRO 93 157.835 -8.281 -0.926
541 HG3 PRO 93 HG3 PRO 93 156.336 -8.813 -0.109
542 HD2 PRO 93 HD2 PRO 93 156.647 -6.299 -1.152
543 HD3 PRO 93 HD3 PRO 93 155.669 -6.605 0.316
544 HA HYP 94 HA HYP 94 162.629 -5.810 1.119
545 HB2 HYP 94 HB2 HYP 94 163.391 -8.504 2.252
546 HB3 HYP 94 HB3 HYP 94 164.191 -6.923 2.484
547 HG HYP 94 HG HYP 94 162.550 -7.954 4.382
548 HD22 HYP 94 HD22 HYP 94 160.653 -8.469 3.091
549 HD23 HYP 94 HD23 HYP 94 160.217 -6.813 3.595
550 HD1 HYP 94 HD1 HYP 94 161.985 -5.817 4.938
551 H GLY 95 H GLY 95 161.374 -8.971 0.118
552 HA2 GLY 95 HA2 GLY 95 162.585 -8.824 -2.523
553 HA3 GLY 95 HA3 GLY 95 163.401 -9.986 -1.470
554 HN1 NH2 96 HN1 NH2 96 159.872 -9.195 -1.824
555 HN2 NH2 96 HN2 NH2 96 159.406 -10.850 -2.168
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 74.165 -0.751 -2.187
2 H2 ACE 1 H2 ACE 1 73.897 -0.074 -0.562
3 H3 ACE 1 H3 ACE 1 75.491 -0.720 -1.004
4 HA PRO 2 HA PRO 2 74.805 3.286 -3.740
5 HB2 PRO 2 HB2 PRO 2 72.703 4.633 -2.043
6 HB3 PRO 2 HB3 PRO 2 72.952 4.720 -3.816
7 HG2 PRO 2 HG2 PRO 2 71.008 3.135 -2.801
8 HG3 PRO 2 HG3 PRO 2 72.056 2.523 -4.123
9 HD2 PRO 2 HD2 PRO 2 72.280 1.985 -1.151
10 HD3 PRO 2 HD3 PRO 2 72.388 0.837 -2.520
11 H LYS 3 H LYS 3 74.738 3.351 -0.227
12 HA LYS 3 HA LYS 3 77.099 5.159 -0.192
13 HB2 LYS 3 HB2 LYS 3 74.585 5.486 1.507
14 HB3 LYS 3 HB3 LYS 3 76.164 6.093 2.017
15 HG2 LYS 3 HG2 LYS 3 76.330 7.493 -0.004
16 HG3 LYS 3 HG3 LYS 3 74.769 6.887 -0.571
17 HD2 LYS 3 HD2 LYS 3 74.541 9.104 0.401
18 HD3 LYS 3 HD3 LYS 3 73.619 7.914 1.329
19 HE2 LYS 3 HE2 LYS 3 75.309 7.873 3.085
20 HE3 LYS 3 HE3 LYS 3 76.409 8.871 2.116
21 HZ1 LYS 3 HZ1 LYS 3 73.770 9.787 3.149
22 HZ2 LYS 3 HZ2 LYS 3 75.215 10.193 3.791
23 HZ3 LYS 3 HZ3 LYS 3 74.821 10.702 2.292
24 H GLY 4 H GLY 4 78.594 4.700 1.308
25 HA2 GLY 4 HA2 GLY 4 78.316 2.996 3.584
26 HA3 GLY 4 HA3 GLY 4 79.005 2.090 2.228
27 HA PRO 5 HA PRO 5 81.719 4.861 4.972
28 HB2 PRO 5 HB2 PRO 5 83.560 3.018 5.950
29 HB3 PRO 5 HB3 PRO 5 81.994 3.444 6.703
30 HG2 PRO 5 HG2 PRO 5 82.638 1.104 4.898
31 HG3 PRO 5 HG3 PRO 5 81.673 1.113 6.409
32 HD2 PRO 5 HD2 PRO 5 80.493 1.138 3.968
33 HD3 PRO 5 HD3 PRO 5 79.816 2.096 5.322
34 H LYS 6 H LYS 6 83.708 5.880 4.688
35 HA LYS 6 HA LYS 6 85.283 5.548 2.290
36 HB2 LYS 6 HB2 LYS 6 85.288 7.648 3.647
37 HB3 LYS 6 HB3 LYS 6 86.043 6.770 4.983
38 HG2 LYS 6 HG2 LYS 6 87.991 6.262 3.480
39 HG3 LYS 6 HG3 LYS 6 87.272 7.266 2.225
40 HD2 LYS 6 HD2 LYS 6 87.614 9.254 3.598
41 HD3 LYS 6 HD3 LYS 6 87.993 8.252 5.008
42 HE2 LYS 6 HE2 LYS 6 90.100 8.985 4.236
43 HE3 LYS 6 HE3 LYS 6 89.968 7.288 3.757
44 HZ1 LYS 6 HZ1 LYS 6 89.520 9.610 1.949
45 HZ2 LYS 6 HZ2 LYS 6 90.874 8.687 1.989
46 HZ3 LYS 6 HZ3 LYS 6 89.452 8.030 1.492
47 H GLY 7 H GLY 7 87.186 4.447 1.914
48 HA2 GLY 7 HA2 GLY 7 87.698 2.051 3.527
49 HA3 GLY 7 HA3 GLY 7 88.545 2.537 2.069
50 HA PRO 8 HA PRO 8 91.050 3.862 5.934
51 HB2 PRO 8 HB2 PRO 8 92.402 1.629 6.773
52 HB3 PRO 8 HB3 PRO 8 90.780 2.080 7.381
53 HG2 PRO 8 HG2 PRO 8 91.455 0.138 5.147
54 HG3 PRO 8 HG3 PRO 8 90.387 -0.141 6.564
55 HD2 PRO 8 HD2 PRO 8 89.346 0.581 4.169
56 HD3 PRO 8 HD3 PRO 8 88.698 1.268 5.681
57 H LYS 9 H LYS 9 93.354 4.141 5.978
58 HA LYS 9 HA LYS 9 94.721 4.296 3.486
59 HB2 LYS 9 HB2 LYS 9 95.150 5.605 5.646
60 HB3 LYS 9 HB3 LYS 9 95.959 4.160 6.265
61 HG2 LYS 9 HG2 LYS 9 97.453 4.311 4.161
62 HG3 LYS 9 HG3 LYS 9 96.722 5.880 3.865
63 HD2 LYS 9 HD2 LYS 9 98.828 6.234 4.937
64 HD3 LYS 9 HD3 LYS 9 97.575 6.629 6.127
65 HE2 LYS 9 HE2 LYS 9 97.883 4.460 7.231
66 HE3 LYS 9 HE3 LYS 9 98.981 3.917 5.955
67 HZ1 LYS 9 HZ1 LYS 9 100.599 5.557 6.660
68 HZ2 LYS 9 HZ2 LYS 9 99.560 6.216 7.753
69 HZ3 LYS 9 HZ3 LYS 9 100.146 4.707 7.974
70 H GLY 10 H GLY 10 96.213 3.002 2.468
71 HA2 GLY 10 HA2 GLY 10 96.263 0.152 3.004
72 HA3 GLY 10 HA3 GLY 10 97.184 1.005 1.774
73 HA PRO 11 HA PRO 11 99.892 -0.410 5.406
74 HB2 PRO 11 HB2 PRO 11 101.079 -2.664 4.435
75 HB3 PRO 11 HB3 PRO 11 99.432 -2.674 5.135
76 HG2 PRO 11 HG2 PRO 11 100.196 -2.477 2.199
77 HG3 PRO 11 HG3 PRO 11 99.041 -3.619 2.960
78 HD2 PRO 11 HD2 PRO 11 98.191 -1.310 1.790
79 HD3 PRO 11 HD3 PRO 11 97.435 -1.920 3.293
80 H LYS 12 H LYS 12 102.142 -0.251 5.644
81 HA LYS 12 HA LYS 12 103.642 1.429 3.905
82 HB2 LYS 12 HB2 LYS 12 103.991 1.142 6.363
83 HB3 LYS 12 HB3 LYS 12 104.544 -0.509 6.090
84 HG2 LYS 12 HG2 LYS 12 106.510 0.293 4.873
85 HG3 LYS 12 HG3 LYS 12 105.933 1.967 4.971
86 HD2 LYS 12 HD2 LYS 12 106.072 1.872 7.450
87 HD3 LYS 12 HD3 LYS 12 106.607 0.178 7.351
88 HE2 LYS 12 HE2 LYS 12 108.582 0.913 6.005
89 HE3 LYS 12 HE3 LYS 12 108.080 2.600 6.207
90 HZ1 LYS 12 HZ1 LYS 12 108.688 0.777 8.481
91 HZ2 LYS 12 HZ2 LYS 12 109.783 1.791 7.831
92 HZ3 LYS 12 HZ3 LYS 12 108.436 2.396 8.576
93 H GLY 13 H GLY 13 105.226 1.084 2.417
94 HA2 GLY 13 HA2 GLY 13 105.062 -1.288 0.799
95 HA3 GLY 13 HA3 GLY 13 106.137 0.084 0.546
96 HA PRO 14 HA PRO 14 108.462 -3.780 2.020
97 HB2 PRO 14 HB2 PRO 14 109.588 -4.682 -0.304
98 HB3 PRO 14 HB3 PRO 14 107.917 -5.092 0.191
99 HG2 PRO 14 HG2 PRO 14 108.808 -2.896 -1.702
100 HG3 PRO 14 HG3 PRO 14 107.539 -4.132 -1.970
101 HD2 PRO 14 HD2 PRO 14 106.915 -1.626 -1.100
102 HD3 PRO 14 HD3 PRO 14 106.045 -3.062 -0.492
103 H LYS 15 H LYS 15 110.651 -3.907 2.485
104 HA LYS 15 HA LYS 15 112.294 -1.567 2.379
105 HB2 LYS 15 HB2 LYS 15 112.417 -3.377 4.102
106 HB3 LYS 15 HB3 LYS 15 113.048 -4.485 2.881
107 HG2 LYS 15 HG2 LYS 15 115.075 -3.139 2.633
108 HG3 LYS 15 HG3 LYS 15 114.429 -1.896 3.725
109 HD2 LYS 15 HD2 LYS 15 114.498 -3.428 5.616
110 HD3 LYS 15 HD3 LYS 15 114.828 -4.797 4.552
111 HE2 LYS 15 HE2 LYS 15 116.880 -4.295 5.592
112 HE3 LYS 15 HE3 LYS 15 117.020 -3.770 3.916
113 HZ1 LYS 15 HZ1 LYS 15 116.469 -1.969 6.224
114 HZ2 LYS 15 HZ2 LYS 15 117.931 -2.182 5.517
115 HZ3 LYS 15 HZ3 LYS 15 116.707 -1.468 4.667
116 H GLY 16 H GLY 16 113.976 -0.952 1.100
117 HA2 GLY 16 HA2 GLY 16 113.982 -1.778 -1.651
118 HA3 GLY 16 HA3 GLY 16 115.118 -0.660 -0.903
119 HA PRO 17 HA PRO 17 117.251 -4.795 -1.853
120 HB2 PRO 17 HB2 PRO 17 118.405 -4.371 -4.284
121 HB3 PRO 17 HB3 PRO 17 116.708 -4.912 -4.107
122 HG2 PRO 17 HG2 PRO 17 117.724 -2.086 -4.543
123 HG3 PRO 17 HG3 PRO 17 116.420 -2.940 -5.428
124 HD2 PRO 17 HD2 PRO 17 115.906 -1.231 -3.348
125 HD3 PRO 17 HD3 PRO 17 114.913 -2.691 -3.643
126 H LYS 18 H LYS 18 119.478 -5.179 -1.622
127 HA LYS 18 HA LYS 18 121.036 -3.318 -0.186
128 HB2 LYS 18 HB2 LYS 18 121.164 -5.868 -0.243
129 HB3 LYS 18 HB3 LYS 18 122.017 -5.713 -1.781
130 HG2 LYS 18 HG2 LYS 18 123.674 -4.210 -0.465
131 HG3 LYS 18 HG3 LYS 18 122.888 -4.775 0.991
132 HD2 LYS 18 HD2 LYS 18 124.909 -6.045 0.599
133 HD3 LYS 18 HD3 LYS 18 123.520 -7.125 0.371
134 HE2 LYS 18 HE2 LYS 18 123.709 -6.916 -2.069
135 HE3 LYS 18 HE3 LYS 18 124.968 -5.682 -1.908
136 HZ1 LYS 18 HZ1 LYS 18 125.262 -8.502 -0.998
137 HZ2 LYS 18 HZ2 LYS 18 125.872 -7.904 -2.390
138 HZ3 LYS 18 HZ3 LYS 18 126.446 -7.360 -0.965
139 H GLY 19 H GLY 19 122.854 -2.075 -0.639
140 HA2 GLY 19 HA2 GLY 19 123.027 -0.826 -3.259
141 HA3 GLY 19 HA3 GLY 19 123.999 -0.457 -1.844
142 HA PRO 20 HA PRO 20 126.560 -2.701 -5.124
143 HB2 PRO 20 HB2 PRO 20 127.946 -0.657 -6.267
144 HB3 PRO 20 HB3 PRO 20 126.249 -1.017 -6.709
145 HG2 PRO 20 HG2 PRO 20 127.244 1.038 -4.699
146 HG3 PRO 20 HG3 PRO 20 126.113 1.298 -6.068
147 HD2 PRO 20 HD2 PRO 20 125.193 0.831 -3.547
148 HD3 PRO 20 HD3 PRO 20 124.370 0.146 -4.975
149 H LYS 21 H LYS 21 128.806 -3.193 -5.138
150 HA LYS 21 HA LYS 21 130.226 -3.035 -2.668
151 HB2 LYS 21 HB2 LYS 21 130.468 -4.842 -4.379
152 HB3 LYS 21 HB3 LYS 21 131.263 -3.694 -5.464
153 HG2 LYS 21 HG2 LYS 21 133.108 -3.414 -3.878
154 HG3 LYS 21 HG3 LYS 21 132.293 -4.447 -2.692
155 HD2 LYS 21 HD2 LYS 21 132.554 -6.390 -4.145
156 HD3 LYS 21 HD3 LYS 21 133.207 -5.369 -5.452
157 HE2 LYS 21 HE2 LYS 21 135.108 -4.710 -4.053
158 HE3 LYS 21 HE3 LYS 21 134.471 -5.626 -2.679
159 HZ1 LYS 21 HZ1 LYS 21 135.230 -6.886 -5.266
160 HZ2 LYS 21 HZ2 LYS 21 136.252 -6.755 -3.999
161 HZ3 LYS 21 HZ3 LYS 21 134.877 -7.664 -3.861
162 H GLY 22 H GLY 22 131.959 -1.883 -1.950
163 HA2 GLY 22 HA2 GLY 22 132.295 0.835 -2.891
164 HA3 GLY 22 HA3 GLY 22 133.168 0.062 -1.573
165 HA PRO 23 HA PRO 23 135.921 0.474 -5.427
166 HB2 PRO 23 HB2 PRO 23 137.196 2.855 -5.095
167 HB3 PRO 23 HB3 PRO 23 135.560 2.737 -5.813
168 HG2 PRO 23 HG2 PRO 23 136.279 3.361 -2.930
169 HG3 PRO 23 HG3 PRO 23 135.171 4.268 -4.011
170 HD2 PRO 23 HD2 PRO 23 134.253 2.408 -2.229
171 HD3 PRO 23 HD3 PRO 23 133.497 2.625 -3.834
172 H LYS 24 H LYS 24 138.186 0.171 -5.518
173 HA LYS 24 HA LYS 24 139.448 -1.083 -3.267
174 HB2 LYS 24 HB2 LYS 24 139.813 -1.621 -5.680
175 HB3 LYS 24 HB3 LYS 24 140.598 -0.053 -5.900
176 HG2 LYS 24 HG2 LYS 24 142.398 -0.717 -4.355
177 HG3 LYS 24 HG3 LYS 24 141.600 -2.274 -4.057
178 HD2 LYS 24 HD2 LYS 24 141.917 -2.936 -6.377
179 HD3 LYS 24 HD3 LYS 24 142.486 -1.307 -6.813
180 HE2 LYS 24 HE2 LYS 24 144.417 -1.567 -5.274
181 HE3 LYS 24 HE3 LYS 24 143.886 -3.211 -4.878
182 HZ1 LYS 24 HZ1 LYS 24 144.641 -2.284 -7.609
183 HZ2 LYS 24 HZ2 LYS 24 145.611 -3.156 -6.622
184 HZ3 LYS 24 HZ3 LYS 24 144.225 -3.820 -7.207
185 H GLY 25 H GLY 25 141.169 -0.473 -1.974
186 HA2 GLY 25 HA2 GLY 25 141.441 2.353 -1.305
187 HA3 GLY 25 HA3 GLY 25 142.287 1.007 -0.553
188 HA PRO 26 HA PRO 26 145.126 3.413 -3.522
189 HB2 PRO 26 HB2 PRO 26 146.411 5.191 -1.907
190 HB3 PRO 26 HB3 PRO 26 144.786 5.516 -2.585
191 HG2 PRO 26 HG2 PRO 26 145.459 4.387 0.151
192 HG3 PRO 26 HG3 PRO 26 144.400 5.786 -0.227
193 HD2 PRO 26 HD2 PRO 26 143.354 3.307 0.176
194 HD3 PRO 26 HD3 PRO 26 142.699 4.386 -1.086
195 H LYS 27 H LYS 27 147.436 3.247 -3.713
196 HA LYS 27 HA LYS 27 148.690 0.953 -2.568
197 HB2 LYS 27 HB2 LYS 27 149.343 1.953 -4.764
198 HB3 LYS 27 HB3 LYS 27 149.847 3.433 -3.959
199 HG2 LYS 27 HG2 LYS 27 151.725 2.444 -2.956
200 HG3 LYS 27 HG3 LYS 27 151.157 0.793 -3.237
201 HD2 LYS 27 HD2 LYS 27 151.816 2.665 -5.541
202 HD3 LYS 27 HD3 LYS 27 153.071 1.724 -4.715
203 HE2 LYS 27 HE2 LYS 27 151.944 -0.373 -5.199
204 HE3 LYS 27 HE3 LYS 27 150.569 0.473 -5.929
205 HZ1 LYS 27 HZ1 LYS 27 153.349 0.542 -6.997
206 HZ2 LYS 27 HZ2 LYS 27 152.126 -0.340 -7.623
207 HZ3 LYS 27 HZ3 LYS 27 152.058 1.289 -7.673
208 H GLY 28 H GLY 28 150.247 0.643 -1.044
209 HA2 GLY 28 HA2 GLY 28 150.086 2.153 1.361
210 HA3 GLY 28 HA3 GLY 28 151.245 0.869 1.025
211 HA PRO 29 HA PRO 29 153.269 5.173 1.698
212 HB2 PRO 29 HB2 PRO 29 154.860 3.807 3.555
213 HB3 PRO 29 HB3 PRO 29 154.018 5.338 3.763
214 HG2 PRO 29 HG2 PRO 29 153.167 3.013 5.006
215 HG3 PRO 29 HG3 PRO 29 152.054 4.317 4.483
216 HD2 PRO 29 HD2 PRO 29 152.562 1.662 3.206
217 HD3 PRO 29 HD3 PRO 29 151.080 2.653 3.248
218 H LYS 30 H LYS 30 154.969 5.814 0.526
219 HA LYS 30 HA LYS 30 156.839 3.758 -0.579
220 HB2 LYS 30 HB2 LYS 30 155.226 5.018 -2.048
221 HB3 LYS 30 HB3 LYS 30 156.135 6.496 -1.708
222 HG2 LYS 30 HG2 LYS 30 158.094 5.632 -2.838
223 HG3 LYS 30 HG3 LYS 30 157.443 3.991 -2.829
224 HD2 LYS 30 HD2 LYS 30 157.300 4.873 -5.062
225 HD3 LYS 30 HD3 LYS 30 155.665 4.672 -4.417
226 HE2 LYS 30 HE2 LYS 30 155.591 7.115 -3.885
227 HE3 LYS 30 HE3 LYS 30 157.231 7.296 -4.527
228 HZ1 LYS 30 HZ1 LYS 30 154.867 6.417 -6.110
229 HZ2 LYS 30 HZ2 LYS 30 155.562 7.892 -6.187
230 HZ3 LYS 30 HZ3 LYS 30 156.384 6.580 -6.704
231 H GLY 31 H GLY 31 156.913 6.199 1.716
232 HA2 GLY 31 HA2 GLY 31 159.190 5.791 2.868
233 HA3 GLY 31 HA3 GLY 31 159.864 6.634 1.471
234 HN1 NH2 32 HN1 NH2 32 157.463 8.557 1.429
235 HN2 NH2 32 HN2 NH2 32 157.802 9.659 2.750
236 H1 ACE 33 H1 ACE 33 79.015 4.356 9.206
237 H2 ACE 33 H2 ACE 33 80.417 4.387 10.301
238 H3 ACE 33 H3 ACE 33 78.838 4.986 10.861
239 H ASP 34 H ASP 34 81.061 5.469 8.127
240 HA ASP 34 HA ASP 34 80.497 8.388 8.052
241 HB2 ASP 34 HB2 ASP 34 82.357 8.095 9.619
242 HB3 ASP 34 HB3 ASP 34 83.268 7.197 8.405
243 HA HYP 35 HA HYP 35 80.304 6.183 4.019
244 HB2 HYP 35 HB2 HYP 35 78.722 8.687 3.434
245 HB3 HYP 35 HB3 HYP 35 78.445 7.022 2.836
246 HG HYP 35 HG HYP 35 77.024 7.983 4.934
247 HD22 HYP 35 HD22 HYP 35 78.766 8.851 6.261
248 HD23 HYP 35 HD23 HYP 35 78.652 7.218 6.969
249 HD1 HYP 35 HD1 HYP 35 77.012 5.856 5.788
250 H GLY 36 H GLY 36 81.687 6.298 2.227
251 HA2 GLY 36 HA2 GLY 36 82.402 8.644 0.868
252 HA3 GLY 36 HA3 GLY 36 83.598 8.344 2.136
253 H ASP 37 H ASP 37 84.785 8.568 0.169
254 HA ASP 37 HA ASP 37 84.880 6.822 -2.019
255 HB2 ASP 37 HB2 ASP 37 86.770 8.839 -0.741
256 HB3 ASP 37 HB3 ASP 37 87.194 8.038 -2.226
257 HA HYP 38 HA HYP 38 87.895 3.502 -1.242
258 HB2 HYP 38 HB2 HYP 38 89.605 4.832 -3.314
259 HB3 HYP 38 HB3 HYP 38 89.157 3.112 -3.171
260 HG HYP 38 HG HYP 38 87.997 4.852 -4.977
261 HD22 HYP 38 HD22 HYP 38 87.045 6.452 -3.648
262 HD23 HYP 38 HD23 HYP 38 85.723 5.272 -3.468
263 HD1 HYP 38 HD1 HYP 38 87.364 2.709 -4.930
264 H GLY 39 H GLY 39 89.829 3.136 -0.123
265 HA2 GLY 39 HA2 GLY 39 90.796 5.310 1.494
266 HA3 GLY 39 HA3 GLY 39 91.352 3.647 1.523
267 H ASP 40 H ASP 40 92.990 5.860 1.902
268 HA ASP 40 HA ASP 40 94.322 6.678 -0.517
269 HB2 ASP 40 HB2 ASP 40 94.704 7.204 2.445
270 HB3 ASP 40 HB3 ASP 40 95.765 7.881 1.219
271 HA HYP 41 HA HYP 41 97.740 3.807 -0.815
272 HB2 HYP 41 HB2 HYP 41 99.523 6.213 -1.068
273 HB3 HYP 41 HB3 HYP 41 99.424 4.777 -2.120
274 HG HYP 41 HG HYP 41 98.328 7.221 -2.773
275 HD22 HYP 41 HD22 HYP 41 96.817 7.584 -1.059
276 HD23 HYP 41 HD23 HYP 41 95.765 6.544 -2.059
277 HD1 HYP 41 HD1 HYP 41 98.158 5.499 -4.195
278 H GLY 42 H GLY 42 99.413 2.891 0.365
279 HA2 GLY 42 HA2 GLY 42 99.980 3.787 3.076
280 HA3 GLY 42 HA3 GLY 42 100.673 2.413 2.247
281 H ASP 43 H ASP 43 102.195 3.826 3.946
282 HA ASP 43 HA ASP 43 103.740 5.937 2.796
283 HB2 ASP 43 HB2 ASP 43 104.098 4.073 5.174
284 HB3 ASP 43 HB3 ASP 43 105.226 5.363 4.787
285 HA HYP 44 HA HYP 44 106.779 3.626 0.423
286 HB2 HYP 44 HB2 HYP 44 108.881 5.459 1.490
287 HB3 HYP 44 HB3 HYP 44 108.456 5.098 -0.204
288 HG HYP 44 HG HYP 44 107.787 7.464 1.050
289 HD22 HYP 44 HD22 HYP 44 106.516 6.655 2.836
290 HD23 HYP 44 HD23 HYP 44 105.217 6.814 1.619
291 HD1 HYP 44 HD1 HYP 44 107.174 7.229 -1.061
292 H GLY 45 H GLY 45 108.292 1.987 0.700
293 HA2 GLY 45 HA2 GLY 45 108.858 0.952 3.348
294 HA3 GLY 45 HA3 GLY 45 109.552 0.385 1.837
295 H ASP 46 H ASP 46 111.048 0.513 4.193
296 HA ASP 46 HA ASP 46 112.687 2.887 4.262
297 HB2 ASP 46 HB2 ASP 46 112.762 0.156 5.559
298 HB3 ASP 46 HB3 ASP 46 114.139 1.228 5.671
299 HA HYP 47 HA HYP 47 115.734 2.101 1.148
300 HB2 HYP 47 HB2 HYP 47 117.846 2.590 3.229
301 HB3 HYP 47 HB3 HYP 47 117.666 3.334 1.617
302 HG HYP 47 HG HYP 47 116.991 4.644 3.931
303 HD22 HYP 47 HD22 HYP 47 115.473 3.141 4.875
304 HD23 HYP 47 HD23 HYP 47 114.334 4.093 3.883
305 HD1 HYP 47 HD1 HYP 47 116.640 5.616 1.927
306 H GLY 48 H GLY 48 117.288 0.618 0.382
307 HA2 GLY 48 HA2 GLY 48 117.609 -1.952 1.678
308 HA3 GLY 48 HA3 GLY 48 118.520 -1.341 0.297
309 H ASP 49 H ASP 49 119.712 -2.913 2.280
310 HA ASP 49 HA ASP 49 121.132 -1.248 4.183
311 HB2 ASP 49 HB2 ASP 49 121.332 -4.149 3.289
312 HB3 ASP 49 HB3 ASP 49 122.320 -3.450 4.552
313 HA HYP 50 HA HYP 50 124.651 -0.006 1.856
314 HB2 HYP 50 HB2 HYP 50 126.457 -1.265 3.893
315 HB3 HYP 50 HB3 HYP 50 126.488 0.391 3.230
316 HG HYP 50 HG HYP 50 125.477 -0.214 5.721
317 HD22 HYP 50 HD22 HYP 50 123.796 -1.734 5.214
318 HD23 HYP 50 HD23 HYP 50 122.845 -0.244 4.959
319 HD1 HYP 50 HD1 HYP 50 125.481 1.901 4.909
320 H GLY 51 H GLY 51 126.030 -0.691 0.284
321 HA2 GLY 51 HA2 GLY 51 126.374 -3.471 -0.471
322 HA3 GLY 51 HA3 GLY 51 127.184 -2.084 -1.143
323 H ASP 52 H ASP 52 128.507 -4.406 -0.931
324 HA ASP 52 HA ASP 52 129.773 -4.877 1.551
325 HB2 ASP 52 HB2 ASP 52 130.233 -5.828 -1.289
326 HB3 ASP 52 HB3 ASP 52 131.234 -6.366 0.054
327 HA HYP 53 HA HYP 53 133.272 -2.105 1.644
328 HB2 HYP 53 HB2 HYP 53 134.876 -4.485 2.527
329 HB3 HYP 53 HB3 HYP 53 134.764 -2.869 3.274
330 HG HYP 53 HG HYP 53 133.467 -5.055 4.294
331 HD22 HYP 53 HD22 HYP 53 132.219 -5.751 2.440
332 HD23 HYP 53 HD23 HYP 53 131.050 -4.595 3.137
333 HD1 HYP 53 HD1 HYP 53 131.943 -3.600 5.146
334 H GLY 54 H GLY 54 134.931 -1.429 0.328
335 HA2 GLY 54 HA2 GLY 54 135.623 -2.897 -2.076
336 HA3 GLY 54 HA3 GLY 54 136.331 -1.387 -1.514
337 H ASP 55 H ASP 55 137.869 -3.369 -2.754
338 HA ASP 55 HA ASP 55 139.157 -5.102 -0.874
339 HB2 ASP 55 HB2 ASP 55 139.643 -4.274 -3.740
340 HB3 ASP 55 HB3 ASP 55 140.836 -5.222 -2.870
341 HA HYP 56 HA HYP 56 142.413 -2.496 0.839
342 HB2 HYP 56 HB2 HYP 56 144.176 -4.887 0.379
343 HB3 HYP 56 HB3 HYP 56 143.971 -3.919 1.861
344 HG HYP 56 HG HYP 56 142.838 -6.399 1.543
345 HD22 HYP 56 HD22 HYP 56 141.609 -6.085 -0.413
346 HD23 HYP 56 HD23 HYP 56 140.376 -5.553 0.767
347 HD1 HYP 56 HD1 HYP 56 142.302 -5.470 3.426
348 H GLY 57 H GLY 57 144.151 -1.246 0.105
349 HA2 GLY 57 HA2 GLY 57 144.849 -1.206 -2.707
350 HA3 GLY 57 HA3 GLY 57 145.625 -0.301 -1.415
351 H ASP 58 H ASP 58 147.085 -1.377 -3.546
352 HA ASP 58 HA ASP 58 148.331 -3.877 -2.805
353 HB2 ASP 58 HB2 ASP 58 148.829 -1.720 -4.873
354 HB3 ASP 58 HB3 ASP 58 150.014 -2.983 -4.600
355 HA HYP 59 HA HYP 59 151.499 -2.678 0.045
356 HB2 HYP 59 HB2 HYP 59 153.500 -3.984 -1.770
357 HB3 HYP 59 HB3 HYP 59 153.253 -4.215 -0.018
358 HG HYP 59 HG HYP 59 152.389 -6.002 -1.931
359 HD22 HYP 59 HD22 HYP 59 150.911 -4.746 -3.197
360 HD23 HYP 59 HD23 HYP 59 149.767 -5.139 -1.885
361 HD1 HYP 59 HD1 HYP 59 150.936 -6.727 -0.383
362 H GLY 60 H GLY 60 152.964 -1.081 0.421
363 HA2 GLY 60 HA2 GLY 60 153.623 0.923 -1.568
364 HA3 GLY 60 HA3 GLY 60 154.206 0.823 0.090
365 H ASP 61 H ASP 61 155.949 1.742 -1.657
366 HA ASP 61 HA ASP 61 157.909 -0.468 -2.172
367 HB2 ASP 61 HB2 ASP 61 156.390 0.692 -4.216
368 HB3 ASP 61 HB3 ASP 61 157.463 2.011 -3.947
369 HA HYP 62 HA HYP 62 160.208 2.938 0.085
370 HB2 HYP 62 HB2 HYP 62 160.712 1.705 2.450
371 HB3 HYP 62 HB3 HYP 62 159.177 2.563 2.127
372 HG HYP 62 HG HYP 62 159.729 -0.421 1.969
373 HD22 HYP 62 HD22 HYP 62 158.325 -0.649 0.166
374 HD23 HYP 62 HD23 HYP 62 157.276 0.706 0.696
375 HD1 HYP 62 HD1 HYP 62 158.623 0.344 3.813
376 H GLY 63 H GLY 63 162.493 2.693 0.903
377 HA2 GLY 63 HA2 GLY 63 163.964 0.492 -0.522
378 HA3 GLY 63 HA3 GLY 63 164.409 2.193 -0.600
379 HN1 NH2 64 HN1 NH2 64 163.397 1.034 2.561
380 HN2 NH2 64 HN2 NH2 64 165.011 0.904 3.231
381 H1 ACE 65 H1 ACE 65 80.080 7.662 -5.400
382 H2 ACE 65 H2 ACE 65 81.798 7.210 -5.330
383 H3 ACE 65 H3 ACE 65 80.800 6.719 -6.721
384 HA PRO 66 HA PRO 66 79.870 2.957 -4.536
385 HB2 PRO 66 HB2 PRO 66 82.085 1.354 -4.713
386 HB3 PRO 66 HB3 PRO 66 81.103 1.811 -6.138
387 HG2 PRO 66 HG2 PRO 66 83.664 3.109 -5.149
388 HG3 PRO 66 HG3 PRO 66 83.273 2.565 -6.813
389 HD2 PRO 66 HD2 PRO 66 82.969 5.161 -6.026
390 HD3 PRO 66 HD3 PRO 66 81.825 4.394 -7.169
391 HA HYP 67 HA HYP 67 81.353 2.989 -0.212
392 HB2 HYP 67 HB2 HYP 67 81.377 -0.011 -0.436
393 HB3 HYP 67 HB3 HYP 67 80.633 1.012 0.818
394 HG HYP 67 HG HYP 67 79.160 -0.220 -1.137
395 HD22 HYP 67 HD22 HYP 67 80.222 0.595 -3.062
396 HD23 HYP 67 HD23 HYP 67 79.000 1.882 -2.858
397 HD1 HYP 67 HD1 HYP 67 77.679 1.526 -0.990
398 H GLY 68 H GLY 68 83.484 3.269 0.456
399 HA2 GLY 68 HA2 GLY 68 85.552 2.665 -1.407
400 HA3 GLY 68 HA3 GLY 68 85.733 3.417 0.159
401 HA PRO 69 HA PRO 69 87.257 -1.071 0.715
402 HB2 PRO 69 HB2 PRO 69 88.980 -1.881 -1.218
403 HB3 PRO 69 HB3 PRO 69 87.210 -2.074 -1.404
404 HG2 PRO 69 HG2 PRO 69 88.971 0.148 -2.495
405 HG3 PRO 69 HG3 PRO 69 87.767 -0.842 -3.381
406 HD2 PRO 69 HD2 PRO 69 87.206 1.633 -2.339
407 HD3 PRO 69 HD3 PRO 69 85.973 0.344 -2.450
408 HA HYP 70 HA HYP 70 91.142 0.506 2.431
409 HB2 HYP 70 HB2 HYP 70 92.434 -2.048 1.546
410 HB3 HYP 70 HB3 HYP 70 92.486 -1.263 3.144
411 HG HYP 70 HG HYP 70 90.921 -3.455 2.584
412 HD22 HYP 70 HD22 HYP 70 89.535 -2.690 0.886
413 HD23 HYP 70 HD23 HYP 70 88.586 -2.019 2.238
414 HD1 HYP 70 HD1 HYP 70 89.676 -2.831 4.336
415 H GLY 71 H GLY 71 93.015 1.540 1.814
416 HA2 GLY 71 HA2 GLY 71 93.426 2.064 -0.987
417 HA3 GLY 71 HA3 GLY 71 94.419 2.644 0.343
418 HA PRO 72 HA PRO 72 96.562 -0.750 -2.203
419 HB2 PRO 72 HB2 PRO 72 98.214 0.714 -3.842
420 HB3 PRO 72 HB3 PRO 72 96.506 0.353 -4.239
421 HG2 PRO 72 HG2 PRO 72 97.641 2.850 -2.952
422 HG3 PRO 72 HG3 PRO 72 96.536 2.745 -4.362
423 HD2 PRO 72 HD2 PRO 72 95.597 3.204 -1.849
424 HD3 PRO 72 HD3 PRO 72 94.699 2.166 -2.997
425 HA HYP 73 HA HYP 73 100.177 -0.671 0.413
426 HB2 HYP 73 HB2 HYP 73 102.129 -1.786 -1.343
427 HB3 HYP 73 HB3 HYP 73 101.085 -2.646 -0.191
428 HG HYP 73 HG HYP 73 100.880 -2.468 -3.134
429 HD22 HYP 73 HD22 HYP 73 98.927 -1.405 -3.355
430 HD23 HYP 73 HD23 HYP 73 98.153 -2.403 -2.096
431 HD1 HYP 73 HD1 HYP 73 100.837 -4.476 -2.189
432 H GLY 74 H GLY 74 102.084 0.548 0.814
433 HA2 GLY 74 HA2 GLY 74 102.549 2.876 -0.811
434 HA3 GLY 74 HA3 GLY 74 103.545 2.339 0.536
435 HA PRO 75 HA PRO 75 105.627 1.604 -3.648
436 HB2 PRO 75 HB2 PRO 75 107.473 3.808 -3.193
437 HB3 PRO 75 HB3 PRO 75 106.451 3.474 -4.616
438 HG2 PRO 75 HG2 PRO 75 106.020 5.522 -2.712
439 HG3 PRO 75 HG3 PRO 75 104.789 4.831 -3.797
440 HD2 PRO 75 HD2 PRO 75 105.160 4.312 -0.898
441 HD3 PRO 75 HD3 PRO 75 103.694 4.258 -1.908
442 HA HYP 76 HA HYP 76 109.106 -0.617 -1.754
443 HB2 HYP 76 HB2 HYP 76 110.556 0.073 -4.292
444 HB3 HYP 76 HB3 HYP 76 110.408 -1.509 -3.486
445 HG HYP 76 HG HYP 76 108.974 -0.831 -5.732
446 HD22 HYP 76 HD22 HYP 76 107.840 1.075 -5.025
447 HD23 HYP 76 HD23 HYP 76 106.685 -0.157 -4.434
448 HD1 HYP 76 HD1 HYP 76 108.682 -2.840 -4.766
449 H GLY 77 H GLY 77 110.982 -0.105 -0.631
450 HA2 GLY 77 HA2 GLY 77 111.917 2.631 -0.443
451 HA3 GLY 77 HA3 GLY 77 112.705 1.208 0.235
452 HA PRO 78 HA PRO 78 114.833 2.726 -3.762
453 HB2 PRO 78 HB2 PRO 78 116.785 4.443 -2.883
454 HB3 PRO 78 HB3 PRO 78 115.109 4.961 -3.238
455 HG2 PRO 78 HG2 PRO 78 116.301 4.228 -0.545
456 HG3 PRO 78 HG3 PRO 78 115.349 5.688 -0.971
457 HD2 PRO 78 HD2 PRO 78 114.189 3.513 0.193
458 HD3 PRO 78 HD3 PRO 78 113.334 4.464 -1.056
459 HA HYP 79 HA HYP 79 118.314 -0.130 -3.304
460 HB2 HYP 79 HB2 HYP 79 119.927 1.914 -4.796
461 HB3 HYP 79 HB3 HYP 79 119.799 0.158 -5.085
462 HG HYP 79 HG HYP 79 118.490 2.027 -6.624
463 HD22 HYP 79 HD22 HYP 79 117.220 3.163 -5.037
464 HD23 HYP 79 HD23 HYP 79 116.072 1.830 -5.350
465 HD1 HYP 79 HD1 HYP 79 118.276 -0.217 -6.963
466 H GLY 80 H GLY 80 119.952 -0.433 -1.858
467 HA2 GLY 80 HA2 GLY 80 120.332 1.440 0.222
468 HA3 GLY 80 HA3 GLY 80 121.268 -0.037 0.000
469 HA PRO 81 HA PRO 81 123.881 3.824 -0.734
470 HB2 PRO 81 HB2 PRO 81 125.319 3.276 1.750
471 HB3 PRO 81 HB3 PRO 81 124.587 4.803 1.190
472 HG2 PRO 81 HG2 PRO 81 123.555 3.191 3.249
473 HG3 PRO 81 HG3 PRO 81 122.597 4.301 2.246
474 HD2 PRO 81 HD2 PRO 81 122.786 1.331 2.021
475 HD3 PRO 81 HD3 PRO 81 121.417 2.440 1.719
476 HA HYP 82 HA HYP 82 127.326 1.334 -2.345
477 HB2 HYP 82 HB2 HYP 82 129.006 3.727 -1.665
478 HB3 HYP 82 HB3 HYP 82 128.934 2.804 -3.189
479 HG HYP 82 HG HYP 82 127.750 5.257 -2.872
480 HD22 HYP 82 HD22 HYP 82 126.308 4.874 -1.078
481 HD23 HYP 82 HD23 HYP 82 125.234 4.318 -2.397
482 HD1 HYP 82 HD1 HYP 82 126.369 4.658 -4.543
483 H GLY 83 H GLY 83 128.939 0.029 -1.482
484 HA2 GLY 83 HA2 GLY 83 129.457 -0.032 1.363
485 HA3 GLY 83 HA3 GLY 83 130.341 -0.921 0.122
486 HA PRO 84 HA PRO 84 132.612 2.905 1.824
487 HB2 PRO 84 HB2 PRO 84 134.334 1.876 3.707
488 HB3 PRO 84 HB3 PRO 84 132.653 2.377 4.056
489 HG2 PRO 84 HG2 PRO 84 133.667 -0.416 3.438
490 HG3 PRO 84 HG3 PRO 84 132.611 0.102 4.793
491 HD2 PRO 84 HD2 PRO 84 131.565 -0.965 2.519
492 HD3 PRO 84 HD3 PRO 84 130.752 0.388 3.357
493 HA HYP 85 HA HYP 85 136.270 2.129 -0.778
494 HB2 HYP 85 HB2 HYP 85 137.723 3.882 1.183
495 HB3 HYP 85 HB3 HYP 85 137.700 3.973 -0.597
496 HG HYP 85 HG HYP 85 136.276 5.699 0.991
497 HD22 HYP 85 HD22 HYP 85 134.997 4.202 2.250
498 HD23 HYP 85 HD23 HYP 85 133.895 4.408 0.856
499 HD1 HYP 85 HD1 HYP 85 136.115 5.848 -1.244
500 H GLY 86 H GLY 86 138.008 0.697 -0.722
501 HA2 GLY 86 HA2 GLY 86 138.522 -0.914 1.617
502 HA3 GLY 86 HA3 GLY 86 139.466 -0.902 0.133
503 HA PRO 87 HA PRO 87 141.620 1.404 3.715
504 HB2 PRO 87 HB2 PRO 87 143.351 -0.496 4.714
505 HB3 PRO 87 HB3 PRO 87 141.684 -0.244 5.311
506 HG2 PRO 87 HG2 PRO 87 142.654 -2.275 3.280
507 HG3 PRO 87 HG3 PRO 87 141.596 -2.551 4.702
508 HD2 PRO 87 HD2 PRO 87 140.559 -2.228 2.209
509 HD3 PRO 87 HD3 PRO 87 139.749 -1.527 3.642
510 HA HYP 88 HA HYP 88 145.336 2.142 1.158
511 HB2 HYP 88 HB2 HYP 88 146.683 2.572 3.806
512 HB3 HYP 88 HB3 HYP 88 146.732 3.594 2.344
513 HG HYP 88 HG HYP 88 145.216 4.224 4.548
514 HD22 HYP 88 HD22 HYP 88 143.887 2.320 4.758
515 HD23 HYP 88 HD23 HYP 88 142.856 3.228 3.615
516 HD1 HYP 88 HD1 HYP 88 145.175 5.530 2.704
517 H GLY 89 H GLY 89 147.080 0.898 0.503
518 HA2 GLY 89 HA2 GLY 89 147.314 -1.788 1.413
519 HA3 GLY 89 HA3 GLY 89 148.448 -0.969 0.344
520 HA PRO 90 HA PRO 90 150.227 -1.721 4.705
521 HB2 PRO 90 HB2 PRO 90 151.768 -3.971 4.316
522 HB3 PRO 90 HB3 PRO 90 150.040 -4.023 4.776
523 HG2 PRO 90 HG2 PRO 90 151.243 -4.253 2.004
524 HG3 PRO 90 HG3 PRO 90 150.026 -5.327 2.770
525 HD2 PRO 90 HD2 PRO 90 149.295 -3.334 1.072
526 HD3 PRO 90 HD3 PRO 90 148.316 -3.712 2.522
527 HA HYP 91 HA HYP 91 154.363 -0.032 3.584
528 HB2 HYP 91 HB2 HYP 91 155.354 -1.929 5.693
529 HB3 HYP 91 HB3 HYP 91 155.734 -0.200 5.473
530 HG HYP 91 HG HYP 91 154.022 -1.099 7.411
531 HD22 HYP 91 HD22 HYP 91 152.485 -2.299 6.128
532 HD23 HYP 91 HD23 HYP 91 151.688 -0.702 6.056
533 HD1 HYP 91 HD1 HYP 91 153.451 1.163 5.758
534 H GLY 92 H GLY 92 156.143 -0.798 2.348
535 HA2 GLY 92 HA2 GLY 92 155.927 -3.530 1.224
536 HA3 GLY 92 HA3 GLY 92 157.034 -2.265 0.716
537 HA PRO 93 HA PRO 93 159.335 -5.328 3.457
538 HB2 PRO 93 HB2 PRO 93 161.093 -6.312 1.570
539 HB3 PRO 93 HB3 PRO 93 159.494 -7.027 1.926
540 HG2 PRO 93 HG2 PRO 93 160.236 -5.129 -0.311
541 HG3 PRO 93 HG3 PRO 93 159.251 -6.624 -0.398
542 HD2 PRO 93 HD2 PRO 93 158.144 -4.123 -0.249
543 HD3 PRO 93 HD3 PRO 93 157.370 -5.547 0.507
544 HA HYP 94 HA HYP 94 162.300 -2.171 4.030
545 HB2 HYP 94 HB2 HYP 94 164.342 -3.368 5.422
546 HB3 HYP 94 HB3 HYP 94 162.704 -3.077 6.069
547 HG HYP 94 HG HYP 94 163.854 -5.641 4.937
548 HD22 HYP 94 HD22 HYP 94 161.875 -6.216 3.910
549 HD23 HYP 94 HD23 HYP 94 160.878 -5.338 5.106
550 HD1 HYP 94 HD1 HYP 94 163.568 -5.352 7.232
551 H GLY 95 H GLY 95 163.217 -4.660 1.865
552 HA2 GLY 95 HA2 GLY 95 164.414 -3.084 0.033
553 HA3 GLY 95 HA3 GLY 95 165.801 -3.496 1.049
554 HN1 NH2 96 HN1 NH2 96 164.631 -6.315 1.545
555 HN2 NH2 96 HN2 NH2 96 164.950 -7.156 0.043