Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
596734 | 2mxp RC | 25423 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 49 HT1 GLN 49 35.601 2.154 6.097
2 H2 GLN 49 HT2 GLN 49 37.202 2.731 5.868
3 H3 GLN 49 HT3 GLN 49 36.676 2.247 7.429
4 HA GLN 49 HA GLN 49 38.125 0.661 6.244
5 HB2 GLN 49 HB2 GLN 49 36.675 -1.260 6.908
6 HB3 GLN 49 HB1 GLN 49 36.787 -0.004 8.133
7 HG2 GLN 49 HG2 GLN 49 34.613 0.886 7.355
8 HG3 GLN 49 HG1 GLN 49 34.496 -0.477 6.242
9 HE21 GLN 49 HE21 GLN 49 34.847 0.340 9.659
10 HE22 GLN 49 HE22 GLN 49 34.003 -1.043 10.261
11 H MET 50 HN MET 50 38.610 -0.080 4.290
12 HA MET 50 HA MET 50 36.431 -0.751 2.439
13 HB2 MET 50 HB2 MET 50 37.773 0.208 0.573
14 HB3 MET 50 HB1 MET 50 37.202 1.413 1.720
15 HG2 MET 50 HG2 MET 50 39.522 1.099 2.825
16 HG3 MET 50 HG1 MET 50 39.970 0.390 1.274
17 HE1 MET 50 HE1 MET 50 39.554 1.300 -0.816
18 HE2 MET 50 HE2 MET 50 40.775 2.567 -0.944
19 HE3 MET 50 HE3 MET 50 39.078 2.947 -1.232
20 H GLN 51 HN GLN 51 38.120 -2.395 4.155
21 HA GLN 51 HA GLN 51 39.253 -4.364 4.073
22 HB2 GLN 51 HB2 GLN 51 38.022 -4.164 1.378
23 HB3 GLN 51 HB1 GLN 51 39.287 -5.366 1.593
24 HG2 GLN 51 HG2 GLN 51 38.062 -6.528 3.216
25 HG3 GLN 51 HG1 GLN 51 36.948 -5.184 3.458
26 HE21 GLN 51 HE21 GLN 51 35.524 -7.183 3.155
27 HE22 GLN 51 HE22 GLN 51 34.965 -7.471 1.546
28 HA PRO 52 HA PRO 52 43.266 -2.592 3.000
29 HB2 PRO 52 HB2 PRO 52 44.236 -5.035 4.359
30 HB3 PRO 52 HB1 PRO 52 44.602 -3.341 4.695
31 HG2 PRO 52 HG2 PRO 52 43.028 -4.766 6.319
32 HG3 PRO 52 HG1 PRO 52 42.709 -3.051 5.994
33 HD2 PRO 52 HD2 PRO 52 41.367 -5.479 4.864
34 HD3 PRO 52 HD1 PRO 52 40.655 -3.938 5.390
35 H LEU 53 HN LEU 53 42.551 -3.301 0.751
36 HA LEU 53 HA LEU 53 43.899 -5.765 -0.089
37 HB2 LEU 53 HB2 LEU 53 41.387 -4.935 -0.654
38 HB3 LEU 53 HB1 LEU 53 42.249 -4.268 -2.027
39 HG LEU 53 HG LEU 53 43.214 -6.681 -2.266
40 HD11 LEU 53 HD11 LEU 53 41.408 -8.340 -1.583
41 HD12 LEU 53 HD12 LEU 53 40.823 -7.081 -0.496
42 HD13 LEU 53 HD13 LEU 53 42.455 -7.722 -0.306
43 HD21 LEU 53 HD21 LEU 53 41.777 -6.946 -3.988
44 HD22 LEU 53 HD22 LEU 53 41.315 -5.297 -3.566
45 HD23 LEU 53 HD23 LEU 53 40.354 -6.658 -2.988
46 H CYS 54 HN CYS 54 45.205 -3.171 0.518
47 HA CYS 54 HA CYS 54 47.084 -3.134 -1.562
48 HB2 CYS 54 HB2 CYS 54 46.609 -0.867 -2.494
49 HB3 CYS 54 HB1 CYS 54 45.396 -2.070 -2.918
50 HG CYS 54 HG CYS 54 44.655 -0.319 -0.518
51 H PHE 55 HN PHE 55 48.905 -2.017 -0.959
52 HA PHE 55 HA PHE 55 48.796 -0.757 1.684
53 HB2 PHE 55 HB2 PHE 55 51.163 -1.753 0.084
54 HB3 PHE 55 HB1 PHE 55 51.248 -1.065 1.702
55 HD1 PHE 55 HD2 PHE 55 49.002 -2.306 3.061
56 HD2 PHE 55 HD1 PHE 55 51.758 -3.973 0.281
57 HE1 PHE 55 HE2 PHE 55 48.624 -4.537 4.031
58 HE2 PHE 55 HE1 PHE 55 51.385 -6.206 1.244
59 HZ PHE 55 HZ PHE 55 49.817 -6.490 3.121
60 H ASN 56 HN ASN 56 49.885 1.234 2.091
61 HA ASN 56 HA ASN 56 50.447 2.849 -0.298
62 HB2 ASN 56 HB2 ASN 56 49.336 4.784 0.927
63 HB3 ASN 56 HB1 ASN 56 48.262 3.547 0.282
64 HD21 ASN 56 HD21 ASN 56 46.718 4.364 1.806
65 HD22 ASN 56 HD22 ASN 56 46.774 3.842 3.453
66 H CYS 57 HN CYS 57 52.219 4.081 -0.187
67 HA CYS 57 HA CYS 57 53.894 3.879 2.154
68 HB2 CYS 57 HB2 CYS 57 54.979 3.646 0.025
69 HB3 CYS 57 HB1 CYS 57 54.298 5.163 -0.548
70 HA PRO 58 HA PRO 58 52.169 7.752 3.686
71 HB2 PRO 58 HB2 PRO 58 53.940 7.377 5.971
72 HB3 PRO 58 HB1 PRO 58 52.177 7.365 5.914
73 HG2 PRO 58 HG2 PRO 58 53.665 5.140 6.375
74 HG3 PRO 58 HG1 PRO 58 52.073 5.102 5.597
75 HD2 PRO 58 HD2 PRO 58 54.793 4.919 4.371
76 HD3 PRO 58 HD1 PRO 58 53.299 4.055 3.948
77 H ILE 59 HN ILE 59 55.432 6.971 2.965
78 HA ILE 59 HA ILE 59 56.557 9.484 3.770
79 HB ILE 59 HB ILE 59 57.729 7.452 1.877
80 HG12 ILE 59 HG12 ILE 59 59.015 7.177 4.303
81 HG13 ILE 59 HG11 ILE 59 57.337 7.422 4.779
82 HG21 ILE 59 HG21 ILE 59 59.063 9.300 1.609
83 HG22 ILE 59 HG22 ILE 59 59.858 8.527 2.979
84 HG23 ILE 59 HG23 ILE 59 58.766 9.885 3.245
85 HD11 ILE 59 HD11 ILE 59 58.111 5.036 4.445
86 HD12 ILE 59 HD12 ILE 59 58.129 5.395 2.718
87 HD13 ILE 59 HD13 ILE 59 56.622 5.512 3.627
88 H CYS 60 HN CYS 60 55.879 8.027 0.551
89 HA CYS 60 HA CYS 60 55.845 10.785 -0.498
90 HB2 CYS 60 HB2 CYS 60 56.699 10.028 -2.576
91 HB3 CYS 60 HB1 CYS 60 57.701 9.292 -1.330
92 H ASP 61 HN ASP 61 53.901 8.157 0.177
93 HA ASP 61 HA ASP 61 51.622 7.993 -0.086
94 HB2 ASP 61 HB2 ASP 61 51.951 10.506 -1.035
95 HB3 ASP 61 HB1 ASP 61 51.413 9.686 -2.498
96 H LYS 62 HN LYS 62 53.884 6.651 -1.654
97 HA LYS 62 HA LYS 62 52.679 5.878 -4.136
98 HB2 LYS 62 HB2 LYS 62 55.104 5.860 -3.898
99 HB3 LYS 62 HB1 LYS 62 54.992 4.676 -2.605
100 HG2 LYS 62 HG2 LYS 62 55.501 3.291 -4.327
101 HG3 LYS 62 HG1 LYS 62 53.744 3.289 -4.486
102 HD2 LYS 62 HD2 LYS 62 53.776 4.644 -6.351
103 HD3 LYS 62 HD1 LYS 62 55.336 5.358 -5.933
104 HE2 LYS 62 HE2 LYS 62 55.376 2.462 -6.454
105 HE3 LYS 62 HE1 LYS 62 54.975 3.469 -7.845
106 HZ1 LYS 62 HZ1 LYS 62 57.429 2.928 -7.349
107 HZ2 LYS 62 HZ2 LYS 62 57.303 4.128 -6.163
108 HZ3 LYS 62 HZ3 LYS 62 57.017 4.511 -7.785
109 H ILE 63 HN ILE 63 51.003 4.539 -4.307
110 HA ILE 63 HA ILE 63 50.586 2.536 -2.189
111 HB ILE 63 HB ILE 63 48.495 3.522 -4.119
112 HG12 ILE 63 HG12 ILE 63 47.840 4.651 -1.719
113 HG13 ILE 63 HG11 ILE 63 49.595 4.783 -1.694
114 HG21 ILE 63 HG21 ILE 63 48.095 2.302 -1.405
115 HG22 ILE 63 HG22 ILE 63 48.244 1.322 -2.862
116 HG23 ILE 63 HG23 ILE 63 46.928 2.484 -2.715
117 HD11 ILE 63 HD11 ILE 63 47.752 5.847 -3.820
118 HD12 ILE 63 HD12 ILE 63 49.512 5.933 -3.863
119 HD13 ILE 63 HD13 ILE 63 48.618 6.786 -2.606
120 H PHE 64 HN PHE 64 50.138 0.428 -2.678
121 HA PHE 64 HA PHE 64 50.094 -0.405 -5.472
122 HB2 PHE 64 HB2 PHE 64 51.745 -2.202 -3.865
123 HB3 PHE 64 HB1 PHE 64 52.039 -1.543 -5.468
124 HD1 PHE 64 HD1 PHE 64 52.024 -0.410 -1.910
125 HD2 PHE 64 HD2 PHE 64 53.873 -0.202 -5.736
126 HE1 PHE 64 HE1 PHE 64 53.780 1.038 -0.978
127 HE2 PHE 64 HE2 PHE 64 55.633 1.246 -4.811
128 HZ PHE 64 HZ PHE 64 55.590 1.865 -2.428
129 HA PRO 65 HA PRO 65 47.164 -3.456 -4.259
130 HB2 PRO 65 HB2 PRO 65 48.823 -5.678 -5.287
131 HB3 PRO 65 HB1 PRO 65 47.217 -5.146 -5.793
132 HG2 PRO 65 HG2 PRO 65 49.370 -4.714 -7.323
133 HG3 PRO 65 HG1 PRO 65 48.053 -3.531 -7.221
134 HD2 PRO 65 HD2 PRO 65 50.737 -3.501 -5.894
135 HD3 PRO 65 HD1 PRO 65 49.827 -2.164 -6.627
136 H ALA 66 HN ALA 66 46.744 -5.353 -2.910
137 HA ALA 66 HA ALA 66 48.284 -5.326 -0.538
138 HB1 ALA 66 HB1 ALA 66 46.142 -5.879 -0.031
139 HB2 ALA 66 HB2 ALA 66 46.798 -7.510 -0.173
140 HB3 ALA 66 HB3 ALA 66 45.909 -6.797 -1.519
141 H THR 67 HN THR 67 48.348 -7.320 -3.392
142 HA THR 67 HA THR 67 49.914 -9.420 -2.212
143 HB THR 67 HB THR 67 50.258 -9.809 -4.852
144 HG1 THR 67 HG1 THR 67 48.617 -8.971 -6.009
145 HG21 THR 67 HG21 THR 67 48.705 -11.445 -4.728
146 HG22 THR 67 HG22 THR 67 47.518 -10.415 -3.931
147 HG23 THR 67 HG23 THR 67 48.857 -11.095 -3.007
148 H GLU 68 HN GLU 68 50.662 -6.306 -2.980
149 HA GLU 68 HA GLU 68 53.327 -6.890 -3.996
150 HB2 GLU 68 HB2 GLU 68 51.568 -4.896 -4.609
151 HB3 GLU 68 HB1 GLU 68 52.613 -4.089 -3.447
152 HG2 GLU 68 HG2 GLU 68 53.977 -3.678 -5.142
153 HG3 GLU 68 HG1 GLU 68 54.382 -5.393 -5.112
154 H LYS 69 HN LYS 69 52.546 -7.564 -1.250
155 HA LYS 69 HA LYS 69 53.434 -5.775 0.667
156 HB2 LYS 69 HB2 LYS 69 53.645 -7.631 2.150
157 HB3 LYS 69 HB1 LYS 69 52.298 -7.980 1.077
158 HG2 LYS 69 HG2 LYS 69 55.077 -9.050 0.649
159 HG3 LYS 69 HG1 LYS 69 53.826 -9.905 1.551
160 HD2 LYS 69 HD2 LYS 69 52.373 -9.704 -0.500
161 HD3 LYS 69 HD1 LYS 69 53.803 -9.131 -1.359
162 HE2 LYS 69 HE2 LYS 69 53.979 -11.673 0.181
163 HE3 LYS 69 HE1 LYS 69 53.130 -11.679 -1.364
164 HZ1 LYS 69 HZ1 LYS 69 55.145 -10.707 -2.372
165 HZ2 LYS 69 HZ2 LYS 69 55.412 -12.246 -1.722
166 HZ3 LYS 69 HZ3 LYS 69 55.948 -10.873 -0.891
167 H GLN 70 HN GLN 70 55.267 -7.709 -1.563
168 HA GLN 70 HA GLN 70 57.765 -7.543 -0.208
169 HB2 GLN 70 HB2 GLN 70 56.753 -8.664 -2.662
170 HB3 GLN 70 HB1 GLN 70 58.260 -7.813 -2.969
171 HG2 GLN 70 HG2 GLN 70 58.366 -9.489 -0.594
172 HG3 GLN 70 HG1 GLN 70 58.007 -10.391 -2.066
173 HE21 GLN 70 HE21 GLN 70 60.178 -7.820 -0.936
174 HE22 GLN 70 HE22 GLN 70 61.578 -8.405 -1.761
175 H ILE 71 HN ILE 71 56.229 -5.664 -2.763
176 HA ILE 71 HA ILE 71 58.467 -3.881 -3.055
177 HB ILE 71 HB ILE 71 55.657 -3.501 -4.085
178 HG12 ILE 71 HG12 ILE 71 58.022 -4.820 -5.436
179 HG13 ILE 71 HG11 ILE 71 56.611 -5.665 -4.808
180 HG21 ILE 71 HG21 ILE 71 56.988 -2.221 -5.870
181 HG22 ILE 71 HG22 ILE 71 58.304 -2.231 -4.696
182 HG23 ILE 71 HG23 ILE 71 56.769 -1.460 -4.295
183 HD11 ILE 71 HD11 ILE 71 55.645 -3.666 -6.524
184 HD12 ILE 71 HD12 ILE 71 55.645 -5.413 -6.775
185 HD13 ILE 71 HD13 ILE 71 56.998 -4.437 -7.351
186 H PHE 72 HN PHE 72 55.462 -3.930 -1.271
187 HA PHE 72 HA PHE 72 55.381 -1.176 -0.616
188 HB2 PHE 72 HB2 PHE 72 53.371 -2.459 -0.391
189 HB3 PHE 72 HB1 PHE 72 54.154 -3.610 0.684
190 HD1 PHE 72 HD2 PHE 72 54.101 0.115 0.709
191 HD2 PHE 72 HD1 PHE 72 53.070 -3.494 2.713
192 HE1 PHE 72 HE2 PHE 72 53.333 1.417 2.651
193 HE2 PHE 72 HE1 PHE 72 52.300 -2.200 4.658
194 HZ PHE 72 HZ PHE 72 52.432 0.259 4.629
195 H GLU 73 HN GLU 73 56.758 -4.003 0.986
196 HA GLU 73 HA GLU 73 57.642 -2.530 3.278
197 HB2 GLU 73 HB2 GLU 73 58.820 -4.603 3.883
198 HB3 GLU 73 HB1 GLU 73 57.138 -4.908 3.470
199 HG2 GLU 73 HG2 GLU 73 58.032 -6.580 2.269
200 HG3 GLU 73 HG1 GLU 73 58.264 -5.306 1.073
201 H ASP 74 HN ASP 74 59.058 -3.670 0.269
202 HA ASP 74 HA ASP 74 61.715 -2.906 0.916
203 HB2 ASP 74 HB2 ASP 74 60.286 -3.768 -1.554
204 HB3 ASP 74 HB1 ASP 74 61.833 -2.947 -1.743
205 H HIS 75 HN HIS 75 59.043 -1.377 -0.772
206 HA HIS 75 HA HIS 75 60.369 0.877 -1.747
207 HB2 HIS 75 HB2 HIS 75 58.129 0.276 -2.491
208 HB3 HIS 75 HB1 HIS 75 57.493 0.559 -0.874
209 HD1 HIS 75 HD1 HIS 75 57.782 2.194 -4.049
210 HD2 HIS 75 HD2 HIS 75 57.975 3.404 -0.072
211 HE1 HIS 75 HE1 HIS 75 57.390 4.696 -4.039
212 H VAL 76 HN VAL 76 58.451 0.516 1.220
213 HA VAL 76 HA VAL 76 59.013 3.059 2.276
214 HB VAL 76 HB VAL 76 58.459 0.525 3.832
215 HG11 VAL 76 HG11 VAL 76 57.467 3.104 4.823
216 HG12 VAL 76 HG12 VAL 76 59.223 2.944 4.817
217 HG13 VAL 76 HG13 VAL 76 58.234 1.773 5.689
218 HG21 VAL 76 HG21 VAL 76 56.235 0.721 3.419
219 HG22 VAL 76 HG22 VAL 76 56.834 1.436 1.923
220 HG23 VAL 76 HG23 VAL 76 56.307 2.474 3.247
221 H PHE 77 HN PHE 77 60.687 -0.012 2.440
222 HA PHE 77 HA PHE 77 62.566 0.544 4.421
223 HB2 PHE 77 HB2 PHE 77 62.163 -1.472 2.437
224 HB3 PHE 77 HB1 PHE 77 63.848 -0.968 2.369
225 HD1 PHE 77 HD2 PHE 77 61.222 -2.058 4.768
226 HD2 PHE 77 HD1 PHE 77 65.375 -1.845 3.865
227 HE1 PHE 77 HE2 PHE 77 61.716 -3.460 6.728
228 HE2 PHE 77 HE1 PHE 77 65.877 -3.247 5.824
229 HZ PHE 77 HZ PHE 77 64.047 -4.056 7.259
230 H CYS 78 HN CYS 78 62.450 1.436 1.029
231 HA CYS 78 HA CYS 78 65.090 2.402 0.848
232 HB2 CYS 78 HB2 CYS 78 63.111 2.026 -0.966
233 HB3 CYS 78 HB1 CYS 78 63.038 3.774 -0.780
234 HG CYS 78 HG CYS 78 64.700 3.101 -2.711
235 H HIS 79 HN HIS 79 62.032 4.017 1.576
236 HA HIS 79 HA HIS 79 63.152 6.588 1.957
237 HB2 HIS 79 HB2 HIS 79 60.657 5.312 3.100
238 HB3 HIS 79 HB1 HIS 79 61.081 7.002 3.343
239 HD1 HIS 79 HD1 HIS 79 61.133 8.498 1.083
240 HD2 HIS 79 HD2 HIS 79 59.364 4.751 0.806
241 HE1 HIS 79 HE1 HIS 79 59.729 8.530 -1.022
242 H SER 80 HN SER 80 63.293 3.685 3.733
243 HA SER 80 HA SER 80 63.716 4.844 6.325
244 HB2 SER 80 HB2 SER 80 63.029 2.356 5.500
245 HB3 SER 80 HB1 SER 80 64.749 2.126 5.811
246 HG SER 80 HG SER 80 64.251 3.206 7.903
247 H LEU 81 HN LEU 81 65.645 4.407 3.563
248 HA LEU 81 HA LEU 81 68.152 4.137 4.906
249 HB2 LEU 81 HB2 LEU 81 67.592 4.968 2.067
250 HB3 LEU 81 HB1 LEU 81 69.137 4.432 2.708
251 HG LEU 81 HG LEU 81 66.794 2.625 2.972
252 HD11 LEU 81 HD11 LEU 81 66.986 1.773 0.773
253 HD12 LEU 81 HD12 LEU 81 68.429 2.733 0.445
254 HD13 LEU 81 HD13 LEU 81 66.860 3.523 0.602
255 HD21 LEU 81 HD21 LEU 81 68.497 0.911 2.756
256 HD22 LEU 81 HD22 LEU 81 68.964 2.079 3.993
257 HD23 LEU 81 HD23 LEU 81 69.716 2.135 2.399
Start of MODEL 2
1 H1 GLN 49 HT1 GLN 49 38.266 -0.052 11.646
2 H2 GLN 49 HT2 GLN 49 37.338 -0.742 12.913
3 H3 GLN 49 HT3 GLN 49 36.571 0.195 11.696
4 HA GLN 49 HA GLN 49 37.829 -2.448 11.443
5 HB2 GLN 49 HB2 GLN 49 35.149 -1.404 11.810
6 HB3 GLN 49 HB1 GLN 49 35.258 -2.345 10.328
7 HG2 GLN 49 HG2 GLN 49 34.563 -3.707 12.227
8 HG3 GLN 49 HG1 GLN 49 36.102 -4.247 11.561
9 HE21 GLN 49 HE21 GLN 49 34.501 -3.744 14.344
10 HE22 GLN 49 HE22 GLN 49 35.827 -3.461 15.414
11 H MET 50 HN MET 50 37.056 -3.333 9.172
12 HA MET 50 HA MET 50 37.358 -3.302 6.918
13 HB2 MET 50 HB2 MET 50 36.281 -0.604 7.513
14 HB3 MET 50 HB1 MET 50 37.045 -0.812 5.943
15 HG2 MET 50 HG2 MET 50 35.136 -2.912 6.706
16 HG3 MET 50 HG1 MET 50 34.447 -1.309 6.451
17 HE1 MET 50 HE1 MET 50 33.319 -0.968 4.226
18 HE2 MET 50 HE2 MET 50 34.326 -0.835 2.784
19 HE3 MET 50 HE3 MET 50 34.740 0.077 4.236
20 H GLN 51 HN GLN 51 38.937 -2.879 5.331
21 HA GLN 51 HA GLN 51 41.051 -0.989 5.886
22 HB2 GLN 51 HB2 GLN 51 42.823 -2.767 5.780
23 HB3 GLN 51 HB1 GLN 51 41.857 -2.777 7.248
24 HG2 GLN 51 HG2 GLN 51 40.608 -4.662 6.505
25 HG3 GLN 51 HG1 GLN 51 41.324 -4.572 4.896
26 HE21 GLN 51 HE21 GLN 51 41.767 -6.864 5.420
27 HE22 GLN 51 HE22 GLN 51 43.234 -7.235 6.251
28 HA PRO 52 HA PRO 52 41.102 -0.733 1.472
29 HB2 PRO 52 HB2 PRO 52 44.042 -0.387 1.785
30 HB3 PRO 52 HB1 PRO 52 42.871 0.637 0.947
31 HG2 PRO 52 HG2 PRO 52 43.872 1.367 3.304
32 HG3 PRO 52 HG1 PRO 52 42.171 1.667 2.903
33 HD2 PRO 52 HD2 PRO 52 43.365 -0.418 4.677
34 HD3 PRO 52 HD1 PRO 52 41.847 0.487 4.857
35 H LEU 53 HN LEU 53 42.398 -1.629 -0.429
36 HA LEU 53 HA LEU 53 43.279 -4.362 0.198
37 HB2 LEU 53 HB2 LEU 53 41.084 -3.982 -1.100
38 HB3 LEU 53 HB1 LEU 53 42.117 -3.530 -2.441
39 HG LEU 53 HG LEU 53 42.925 -6.069 -1.281
40 HD11 LEU 53 HD11 LEU 53 40.914 -7.270 -2.296
41 HD12 LEU 53 HD12 LEU 53 40.078 -5.724 -2.161
42 HD13 LEU 53 HD13 LEU 53 40.701 -6.517 -0.715
43 HD21 LEU 53 HD21 LEU 53 42.325 -4.906 -3.954
44 HD22 LEU 53 HD22 LEU 53 42.355 -6.662 -3.785
45 HD23 LEU 53 HD23 LEU 53 43.782 -5.712 -3.370
46 H CYS 54 HN CYS 54 44.875 -1.876 -0.007
47 HA CYS 54 HA CYS 54 47.120 -2.865 -1.314
48 HB2 CYS 54 HB2 CYS 54 47.167 -1.185 -3.246
49 HB3 CYS 54 HB1 CYS 54 46.124 -2.590 -3.435
50 HG CYS 54 HG CYS 54 45.218 0.288 -3.421
51 H PHE 55 HN PHE 55 48.925 -1.535 -1.041
52 HA PHE 55 HA PHE 55 48.424 0.876 0.571
53 HB2 PHE 55 HB2 PHE 55 50.770 -1.029 0.537
54 HB3 PHE 55 HB1 PHE 55 50.774 0.502 1.406
55 HD1 PHE 55 HD1 PHE 55 49.093 0.855 3.241
56 HD2 PHE 55 HD2 PHE 55 49.789 -2.946 1.459
57 HE1 PHE 55 HE1 PHE 55 48.046 -0.242 5.180
58 HE2 PHE 55 HE2 PHE 55 48.743 -4.049 3.393
59 HZ PHE 55 HZ PHE 55 47.870 -2.696 5.257
60 H ASN 56 HN ASN 56 49.531 2.774 0.125
61 HA ASN 56 HA ASN 56 50.981 2.816 -2.440
62 HB2 ASN 56 HB2 ASN 56 49.262 5.034 -1.312
63 HB3 ASN 56 HB1 ASN 56 50.059 5.015 -2.883
64 HD21 ASN 56 HD21 ASN 56 47.792 5.495 -3.518
65 HD22 ASN 56 HD22 ASN 56 46.754 4.152 -3.847
66 H CYS 57 HN CYS 57 52.935 3.761 -2.482
67 HA CYS 57 HA CYS 57 54.171 4.502 -0.013
68 HB2 CYS 57 HB2 CYS 57 55.526 3.369 -1.620
69 HB3 CYS 57 HB1 CYS 57 55.121 4.532 -2.874
70 HA PRO 58 HA PRO 58 52.808 8.778 -0.399
71 HB2 PRO 58 HB2 PRO 58 54.250 9.209 2.105
72 HB3 PRO 58 HB1 PRO 58 52.522 9.337 1.777
73 HG2 PRO 58 HG2 PRO 58 53.586 7.360 3.290
74 HG3 PRO 58 HG1 PRO 58 52.124 7.143 2.313
75 HD2 PRO 58 HD2 PRO 58 54.932 6.280 1.749
76 HD3 PRO 58 HD1 PRO 58 53.403 5.427 1.444
77 H ILE 59 HN ILE 59 56.035 7.572 -0.130
78 HA ILE 59 HA ILE 59 57.353 10.103 -0.229
79 HB ILE 59 HB ILE 59 58.469 7.401 -0.972
80 HG12 ILE 59 HG12 ILE 59 59.325 8.342 1.594
81 HG13 ILE 59 HG11 ILE 59 57.565 8.367 1.546
82 HG21 ILE 59 HG21 ILE 59 60.588 8.664 -0.096
83 HG22 ILE 59 HG22 ILE 59 59.658 10.099 -0.525
84 HG23 ILE 59 HG23 ILE 59 60.035 8.892 -1.755
85 HD11 ILE 59 HD11 ILE 59 57.447 6.160 1.711
86 HD12 ILE 59 HD12 ILE 59 59.165 6.198 2.104
87 HD13 ILE 59 HD13 ILE 59 58.645 5.922 0.442
88 H CYS 60 HN CYS 60 56.876 7.546 -2.716
89 HA CYS 60 HA CYS 60 57.325 9.663 -4.723
90 HB2 CYS 60 HB2 CYS 60 58.291 8.082 -6.202
91 HB3 CYS 60 HB1 CYS 60 59.042 7.817 -4.633
92 H ASP 61 HN ASP 61 54.927 7.873 -3.369
93 HA ASP 61 HA ASP 61 52.708 7.772 -3.913
94 HB2 ASP 61 HB2 ASP 61 53.297 9.715 -5.522
95 HB3 ASP 61 HB1 ASP 61 53.292 8.477 -6.775
96 H LYS 62 HN LYS 62 54.781 5.648 -4.302
97 HA LYS 62 HA LYS 62 54.042 4.058 -6.524
98 HB2 LYS 62 HB2 LYS 62 56.143 3.873 -5.036
99 HB3 LYS 62 HB1 LYS 62 55.129 2.935 -3.952
100 HG2 LYS 62 HG2 LYS 62 56.502 1.565 -5.490
101 HG3 LYS 62 HG1 LYS 62 54.770 1.264 -5.620
102 HD2 LYS 62 HD2 LYS 62 54.623 2.515 -7.640
103 HD3 LYS 62 HD1 LYS 62 56.261 3.140 -7.444
104 HE2 LYS 62 HE2 LYS 62 56.780 0.509 -7.422
105 HE3 LYS 62 HE1 LYS 62 55.332 0.511 -8.427
106 HZ1 LYS 62 HZ1 LYS 62 56.361 1.698 -10.068
107 HZ2 LYS 62 HZ2 LYS 62 57.681 0.820 -9.481
108 HZ3 LYS 62 HZ3 LYS 62 57.467 2.433 -9.022
109 H ILE 63 HN ILE 63 53.045 1.837 -6.280
110 HA ILE 63 HA ILE 63 50.951 1.770 -4.224
111 HB ILE 63 HB ILE 63 50.376 1.179 -7.126
112 HG12 ILE 63 HG12 ILE 63 48.884 3.366 -6.595
113 HG13 ILE 63 HG11 ILE 63 50.285 3.710 -5.584
114 HG21 ILE 63 HG21 ILE 63 48.886 0.952 -4.600
115 HG22 ILE 63 HG22 ILE 63 48.704 0.063 -6.113
116 HG23 ILE 63 HG23 ILE 63 47.997 1.670 -5.944
117 HD11 ILE 63 HD11 ILE 63 50.225 4.583 -8.008
118 HD12 ILE 63 HD12 ILE 63 50.645 2.927 -8.441
119 HD13 ILE 63 HD13 ILE 63 51.712 3.861 -7.393
120 H PHE 64 HN PHE 64 50.319 -0.246 -3.567
121 HA PHE 64 HA PHE 64 51.370 -2.600 -4.922
122 HB2 PHE 64 HB2 PHE 64 51.965 -1.956 -2.025
123 HB3 PHE 64 HB1 PHE 64 52.275 -3.510 -2.790
124 HD1 PHE 64 HD2 PHE 64 53.932 -3.613 -4.683
125 HD2 PHE 64 HD1 PHE 64 53.499 -0.203 -2.175
126 HE1 PHE 64 HE2 PHE 64 56.162 -2.830 -5.369
127 HE2 PHE 64 HE1 PHE 64 55.727 0.586 -2.855
128 HZ PHE 64 HZ PHE 64 57.062 -0.730 -4.452
129 HA PRO 65 HA PRO 65 47.387 -4.120 -3.706
130 HB2 PRO 65 HB2 PRO 65 47.843 -6.800 -3.889
131 HB3 PRO 65 HB1 PRO 65 47.605 -5.761 -5.297
132 HG2 PRO 65 HG2 PRO 65 50.148 -6.790 -4.110
133 HG3 PRO 65 HG1 PRO 65 49.685 -6.648 -5.815
134 HD2 PRO 65 HD2 PRO 65 51.316 -4.863 -4.594
135 HD3 PRO 65 HD1 PRO 65 50.207 -4.405 -5.901
136 H ALA 66 HN ALA 66 46.329 -5.063 -1.939
137 HA ALA 66 HA ALA 66 47.469 -4.803 0.549
138 HB1 ALA 66 HB1 ALA 66 45.567 -6.507 1.201
139 HB2 ALA 66 HB2 ALA 66 45.065 -6.225 -0.466
140 HB3 ALA 66 HB3 ALA 66 45.190 -4.872 0.658
141 H THR 67 HN THR 67 47.629 -7.528 -1.613
142 HA THR 67 HA THR 67 48.542 -9.389 0.376
143 HB THR 67 HB THR 67 49.232 -10.594 -1.913
144 HG1 THR 67 HG1 THR 67 48.202 -9.834 -3.619
145 HG21 THR 67 HG21 THR 67 47.162 -11.704 -1.958
146 HG22 THR 67 HG22 THR 67 46.324 -10.332 -1.230
147 HG23 THR 67 HG23 THR 67 47.454 -11.287 -0.269
148 H GLU 68 HN GLU 68 49.987 -6.963 -1.571
149 HA GLU 68 HA GLU 68 52.637 -8.136 -1.283
150 HB2 GLU 68 HB2 GLU 68 51.489 -5.962 -2.975
151 HB3 GLU 68 HB1 GLU 68 53.213 -5.955 -2.638
152 HG2 GLU 68 HG2 GLU 68 53.287 -8.310 -3.504
153 HG3 GLU 68 HG1 GLU 68 51.624 -8.086 -4.040
154 H LYS 69 HN LYS 69 51.242 -7.150 1.045
155 HA LYS 69 HA LYS 69 52.008 -4.592 1.838
156 HB2 LYS 69 HB2 LYS 69 51.688 -5.378 4.135
157 HB3 LYS 69 HB1 LYS 69 50.398 -5.949 3.086
158 HG2 LYS 69 HG2 LYS 69 50.968 -8.114 3.336
159 HG3 LYS 69 HG1 LYS 69 52.697 -7.764 3.396
160 HD2 LYS 69 HD2 LYS 69 52.704 -7.520 5.648
161 HD3 LYS 69 HD1 LYS 69 51.094 -6.796 5.679
162 HE2 LYS 69 HE2 LYS 69 50.542 -8.779 6.614
163 HE3 LYS 69 HE1 LYS 69 50.446 -9.286 4.928
164 HZ1 LYS 69 HZ1 LYS 69 52.482 -10.358 5.052
165 HZ2 LYS 69 HZ2 LYS 69 51.789 -10.711 6.554
166 HZ3 LYS 69 HZ3 LYS 69 52.975 -9.511 6.432
167 H GLN 70 HN GLN 70 53.840 -7.529 1.602
168 HA GLN 70 HA GLN 70 55.989 -6.797 3.300
169 HB2 GLN 70 HB2 GLN 70 55.579 -9.121 2.639
170 HB3 GLN 70 HB1 GLN 70 55.933 -8.716 0.965
171 HG2 GLN 70 HG2 GLN 70 57.841 -9.792 1.904
172 HG3 GLN 70 HG1 GLN 70 58.229 -8.090 1.656
173 HE21 GLN 70 HE21 GLN 70 58.370 -6.717 3.463
174 HE22 GLN 70 HE22 GLN 70 58.638 -7.345 5.050
175 H ILE 71 HN ILE 71 55.396 -6.431 -0.155
176 HA ILE 71 HA ILE 71 57.954 -5.301 -0.731
177 HB ILE 71 HB ILE 71 55.398 -5.146 -2.338
178 HG12 ILE 71 HG12 ILE 71 56.863 -6.927 -3.671
179 HG13 ILE 71 HG11 ILE 71 57.541 -7.204 -2.070
180 HG21 ILE 71 HG21 ILE 71 58.254 -4.702 -3.200
181 HG22 ILE 71 HG22 ILE 71 57.051 -3.436 -2.954
182 HG23 ILE 71 HG23 ILE 71 56.825 -4.630 -4.233
183 HD11 ILE 71 HD11 ILE 71 54.666 -7.126 -1.969
184 HD12 ILE 71 HD12 ILE 71 55.780 -8.395 -1.460
185 HD13 ILE 71 HD13 ILE 71 55.236 -8.319 -3.137
186 H PHE 72 HN PHE 72 54.842 -4.038 0.235
187 HA PHE 72 HA PHE 72 55.333 -1.324 -0.426
188 HB2 PHE 72 HB2 PHE 72 53.065 -1.999 -0.104
189 HB3 PHE 72 HB1 PHE 72 53.415 -2.645 1.495
190 HD1 PHE 72 HD2 PHE 72 53.758 0.603 -0.321
191 HD2 PHE 72 HD1 PHE 72 52.667 -1.408 3.268
192 HE1 PHE 72 HE2 PHE 72 53.114 2.754 0.684
193 HE2 PHE 72 HE1 PHE 72 52.019 0.739 4.279
194 HZ PHE 72 HZ PHE 72 52.243 2.824 2.987
195 H GLU 73 HN GLU 73 55.904 -3.266 2.456
196 HA GLU 73 HA GLU 73 56.728 -1.065 4.079
197 HB2 GLU 73 HB2 GLU 73 57.075 -4.052 4.376
198 HB3 GLU 73 HB1 GLU 73 57.615 -2.890 5.580
199 HG2 GLU 73 HG2 GLU 73 55.043 -2.122 5.259
200 HG3 GLU 73 HG1 GLU 73 54.916 -3.856 4.960
201 H ASP 74 HN ASP 74 58.307 -3.451 2.051
202 HA ASP 74 HA ASP 74 60.951 -2.751 2.791
203 HB2 ASP 74 HB2 ASP 74 59.673 -4.532 0.847
204 HB3 ASP 74 HB1 ASP 74 61.191 -3.844 0.279
205 H HIS 75 HN HIS 75 58.849 -1.887 0.092
206 HA HIS 75 HA HIS 75 60.608 -0.336 -1.387
207 HB2 HIS 75 HB2 HIS 75 58.430 -0.945 -2.255
208 HB3 HIS 75 HB1 HIS 75 57.629 -0.018 -0.990
209 HD1 HIS 75 HD1 HIS 75 58.739 0.267 -4.424
210 HD2 HIS 75 HD2 HIS 75 58.252 2.861 -1.208
211 HE1 HIS 75 HE1 HIS 75 58.653 2.604 -5.395
212 H VAL 76 HN VAL 76 58.307 0.749 1.090
213 HA VAL 76 HA VAL 76 59.109 3.432 1.161
214 HB VAL 76 HB VAL 76 58.011 1.762 3.434
215 HG11 VAL 76 HG11 VAL 76 58.730 4.591 3.199
216 HG12 VAL 76 HG12 VAL 76 58.474 3.598 4.635
217 HG13 VAL 76 HG13 VAL 76 57.095 4.312 3.799
218 HG21 VAL 76 HG21 VAL 76 56.268 3.618 1.943
219 HG22 VAL 76 HG22 VAL 76 55.923 2.023 2.613
220 HG23 VAL 76 HG23 VAL 76 56.777 2.169 1.077
221 H PHE 77 HN PHE 77 60.306 0.566 2.781
222 HA PHE 77 HA PHE 77 62.034 1.728 4.637
223 HB2 PHE 77 HB2 PHE 77 61.417 -0.835 3.956
224 HB3 PHE 77 HB1 PHE 77 63.042 -0.704 3.296
225 HD1 PHE 77 HD2 PHE 77 64.659 0.659 5.053
226 HD2 PHE 77 HD1 PHE 77 61.318 -1.790 6.026
227 HE1 PHE 77 HE2 PHE 77 65.600 0.272 7.292
228 HE2 PHE 77 HE1 PHE 77 62.253 -2.182 8.268
229 HZ PHE 77 HZ PHE 77 64.397 -1.151 8.903
230 H CYS 78 HN CYS 78 62.343 1.212 1.191
231 HA CYS 78 HA CYS 78 65.109 1.737 1.015
232 HB2 CYS 78 HB2 CYS 78 63.446 0.758 -0.769
233 HB3 CYS 78 HB1 CYS 78 63.237 2.448 -1.213
234 HG CYS 78 HG CYS 78 65.823 0.804 -1.617
235 H HIS 79 HN HIS 79 62.266 3.799 0.642
236 HA HIS 79 HA HIS 79 63.710 6.187 0.171
237 HB2 HIS 79 HB2 HIS 79 60.958 5.722 1.339
238 HB3 HIS 79 HB1 HIS 79 61.603 7.319 0.974
239 HD1 HIS 79 HD1 HIS 79 62.049 7.807 -1.639
240 HD2 HIS 79 HD2 HIS 79 59.861 4.394 -0.742
241 HE1 HIS 79 HE1 HIS 79 60.890 7.122 -3.782
242 H SER 80 HN SER 80 63.269 4.222 2.916
243 HA SER 80 HA SER 80 63.611 6.263 4.905
244 HB2 SER 80 HB2 SER 80 62.986 3.471 4.866
245 HB3 SER 80 HB1 SER 80 64.341 3.733 5.964
246 HG SER 80 HG SER 80 61.762 4.886 6.042
247 H LEU 81 HN LEU 81 65.698 4.616 2.801
248 HA LEU 81 HA LEU 81 68.015 4.648 4.472
249 HB2 LEU 81 HB2 LEU 81 67.822 4.362 1.482
250 HB3 LEU 81 HB1 LEU 81 69.220 3.978 2.473
251 HG LEU 81 HG LEU 81 66.643 2.634 3.090
252 HD11 LEU 81 HD11 LEU 81 68.482 1.682 0.896
253 HD12 LEU 81 HD12 LEU 81 66.951 2.507 0.608
254 HD13 LEU 81 HD13 LEU 81 66.970 0.946 1.426
255 HD21 LEU 81 HD21 LEU 81 67.943 1.129 4.172
256 HD22 LEU 81 HD22 LEU 81 69.067 2.487 4.212
257 HD23 LEU 81 HD23 LEU 81 69.245 1.231 2.986
Start of MODEL 3
1 H1 GLN 49 HT1 GLN 49 37.927 0.239 3.403
2 H2 GLN 49 HT2 GLN 49 38.536 -1.287 2.904
3 H3 GLN 49 HT3 GLN 49 36.876 -1.113 3.305
4 HA GLN 49 HA GLN 49 37.473 -1.209 0.896
5 HB2 GLN 49 HB2 GLN 49 35.720 0.656 2.377
6 HB3 GLN 49 HB1 GLN 49 35.948 1.026 0.674
7 HG2 GLN 49 HG2 GLN 49 35.148 -1.706 1.611
8 HG3 GLN 49 HG1 GLN 49 33.967 -0.432 1.308
9 HE21 GLN 49 HE21 GLN 49 33.300 -2.223 -0.222
10 HE22 GLN 49 HE22 GLN 49 33.957 -2.156 -1.818
11 H MET 50 HN MET 50 39.851 -0.017 2.103
12 HA MET 50 HA MET 50 40.640 1.630 -0.085
13 HB2 MET 50 HB2 MET 50 39.878 2.890 2.487
14 HB3 MET 50 HB1 MET 50 41.362 3.465 1.741
15 HG2 MET 50 HG2 MET 50 39.704 3.506 -0.384
16 HG3 MET 50 HG1 MET 50 38.564 3.828 0.922
17 HE1 MET 50 HE1 MET 50 38.577 6.024 -1.073
18 HE2 MET 50 HE2 MET 50 38.912 7.472 -0.125
19 HE3 MET 50 HE3 MET 50 37.849 6.222 0.520
20 H GLN 51 HN GLN 51 41.373 0.731 3.257
21 HA GLN 51 HA GLN 51 44.222 0.670 2.656
22 HB2 GLN 51 HB2 GLN 51 42.586 0.873 5.071
23 HB3 GLN 51 HB1 GLN 51 43.936 -0.240 5.248
24 HG2 GLN 51 HG2 GLN 51 45.195 1.832 4.095
25 HG3 GLN 51 HG1 GLN 51 43.915 2.688 4.955
26 HE21 GLN 51 HE21 GLN 51 46.963 2.147 5.262
27 HE22 GLN 51 HE22 GLN 51 47.121 1.830 6.953
28 HA PRO 52 HA PRO 52 43.279 -3.960 4.153
29 HB2 PRO 52 HB2 PRO 52 40.485 -4.006 3.107
30 HB3 PRO 52 HB1 PRO 52 41.178 -4.843 4.501
31 HG2 PRO 52 HG2 PRO 52 39.644 -2.700 4.843
32 HG3 PRO 52 HG1 PRO 52 41.082 -2.956 5.849
33 HD2 PRO 52 HD2 PRO 52 40.670 -1.077 3.570
34 HD3 PRO 52 HD1 PRO 52 41.619 -0.862 5.055
35 H LEU 53 HN LEU 53 43.406 -5.795 2.770
36 HA LEU 53 HA LEU 53 43.901 -6.865 0.828
37 HB2 LEU 53 HB2 LEU 53 41.406 -6.119 0.522
38 HB3 LEU 53 HB1 LEU 53 42.081 -5.027 -0.672
39 HG LEU 53 HG LEU 53 42.941 -7.834 -0.936
40 HD11 LEU 53 HD11 LEU 53 40.675 -8.277 -0.301
41 HD12 LEU 53 HD12 LEU 53 40.811 -8.471 -2.049
42 HD13 LEU 53 HD13 LEU 53 40.076 -7.015 -1.377
43 HD21 LEU 53 HD21 LEU 53 42.253 -5.513 -2.650
44 HD22 LEU 53 HD22 LEU 53 42.064 -7.125 -3.338
45 HD23 LEU 53 HD23 LEU 53 43.634 -6.607 -2.722
46 H CYS 54 HN CYS 54 45.226 -4.230 1.580
47 HA CYS 54 HA CYS 54 47.107 -4.116 -0.465
48 HB2 CYS 54 HB2 CYS 54 46.563 -1.901 -1.477
49 HB3 CYS 54 HB1 CYS 54 45.405 -3.160 -1.888
50 HG CYS 54 HG CYS 54 43.972 -1.969 0.188
51 H PHE 55 HN PHE 55 48.145 -1.668 -0.383
52 HA PHE 55 HA PHE 55 48.149 -0.713 2.370
53 HB2 PHE 55 HB2 PHE 55 50.553 -1.862 0.957
54 HB3 PHE 55 HB1 PHE 55 50.703 -0.752 2.315
55 HD1 PHE 55 HD1 PHE 55 49.101 -1.466 4.374
56 HD2 PHE 55 HD2 PHE 55 50.740 -4.086 1.448
57 HE1 PHE 55 HE1 PHE 55 48.876 -3.349 5.941
58 HE2 PHE 55 HE2 PHE 55 50.515 -5.975 3.010
59 HZ PHE 55 HZ PHE 55 49.583 -5.607 5.260
60 H ASN 56 HN ASN 56 49.792 1.210 2.505
61 HA ASN 56 HA ASN 56 50.001 2.681 0.006
62 HB2 ASN 56 HB2 ASN 56 47.922 3.183 1.960
63 HB3 ASN 56 HB1 ASN 56 48.953 4.596 1.764
64 HD21 ASN 56 HD21 ASN 56 47.044 2.229 -0.019
65 HD22 ASN 56 HD22 ASN 56 46.633 3.279 -1.327
66 H CYS 57 HN CYS 57 51.843 3.802 -0.063
67 HA CYS 57 HA CYS 57 53.598 3.808 2.196
68 HB2 CYS 57 HB2 CYS 57 54.597 3.547 0.040
69 HB3 CYS 57 HB1 CYS 57 53.813 4.997 -0.573
70 HA PRO 58 HA PRO 58 51.839 7.649 3.750
71 HB2 PRO 58 HB2 PRO 58 53.318 7.757 6.021
72 HB3 PRO 58 HB1 PRO 58 51.910 6.704 5.839
73 HG2 PRO 58 HG2 PRO 58 54.819 6.041 5.571
74 HG3 PRO 58 HG1 PRO 58 53.535 5.133 6.394
75 HD2 PRO 58 HD2 PRO 58 54.422 4.473 3.927
76 HD3 PRO 58 HD1 PRO 58 52.737 4.232 4.427
77 H ILE 59 HN ILE 59 55.085 7.004 2.814
78 HA ILE 59 HA ILE 59 56.123 9.590 3.496
79 HB ILE 59 HB ILE 59 57.295 7.617 1.539
80 HG12 ILE 59 HG12 ILE 59 58.703 7.474 3.949
81 HG13 ILE 59 HG11 ILE 59 57.010 7.490 4.432
82 HG21 ILE 59 HG21 ILE 59 58.267 10.094 2.885
83 HG22 ILE 59 HG22 ILE 59 58.480 9.559 1.218
84 HG23 ILE 59 HG23 ILE 59 59.415 8.808 2.511
85 HD11 ILE 59 HD11 ILE 59 57.927 5.647 2.274
86 HD12 ILE 59 HD12 ILE 59 56.557 5.497 3.374
87 HD13 ILE 59 HD13 ILE 59 58.197 5.242 3.970
88 H CYS 60 HN CYS 60 55.300 8.031 0.361
89 HA CYS 60 HA CYS 60 55.096 10.759 -0.740
90 HB2 CYS 60 HB2 CYS 60 55.669 9.919 -2.900
91 HB3 CYS 60 HB1 CYS 60 56.849 9.292 -1.755
92 H ASP 61 HN ASP 61 53.229 8.206 0.265
93 HA ASP 61 HA ASP 61 50.960 7.962 0.244
94 HB2 ASP 61 HB2 ASP 61 51.173 10.531 -0.606
95 HB3 ASP 61 HB1 ASP 61 50.415 9.788 -2.011
96 H LYS 62 HN LYS 62 52.732 6.362 -1.289
97 HA LYS 62 HA LYS 62 51.445 5.881 -3.833
98 HB2 LYS 62 HB2 LYS 62 53.969 5.536 -3.165
99 HB3 LYS 62 HB1 LYS 62 53.399 3.962 -2.633
100 HG2 LYS 62 HG2 LYS 62 53.450 3.203 -4.710
101 HG3 LYS 62 HG1 LYS 62 52.367 4.491 -5.240
102 HD2 LYS 62 HD2 LYS 62 54.570 5.927 -5.140
103 HD3 LYS 62 HD1 LYS 62 55.340 4.350 -5.314
104 HE2 LYS 62 HE2 LYS 62 54.914 5.569 -7.465
105 HE3 LYS 62 HE1 LYS 62 54.235 3.945 -7.377
106 HZ1 LYS 62 HZ1 LYS 62 52.797 5.868 -8.272
107 HZ2 LYS 62 HZ2 LYS 62 52.587 6.271 -6.642
108 HZ3 LYS 62 HZ3 LYS 62 52.100 4.753 -7.207
109 H ILE 63 HN ILE 63 51.185 3.290 -4.212
110 HA ILE 63 HA ILE 63 49.686 2.147 -1.973
111 HB ILE 63 HB ILE 63 48.531 2.239 -4.756
112 HG12 ILE 63 HG12 ILE 63 46.834 3.741 -3.268
113 HG13 ILE 63 HG11 ILE 63 48.368 4.163 -2.514
114 HG21 ILE 63 HG21 ILE 63 47.411 1.374 -2.096
115 HG22 ILE 63 HG22 ILE 63 47.784 0.345 -3.477
116 HG23 ILE 63 HG23 ILE 63 46.470 1.517 -3.580
117 HD11 ILE 63 HD11 ILE 63 47.579 5.649 -4.393
118 HD12 ILE 63 HD12 ILE 63 47.937 4.307 -5.478
119 HD13 ILE 63 HD13 ILE 63 49.227 5.035 -4.522
120 H PHE 64 HN PHE 64 49.445 -0.118 -2.048
121 HA PHE 64 HA PHE 64 50.679 -1.590 -4.227
122 HB2 PHE 64 HB2 PHE 64 51.765 -1.598 -1.410
123 HB3 PHE 64 HB1 PHE 64 52.100 -2.883 -2.564
124 HD1 PHE 64 HD2 PHE 64 52.538 0.719 -1.900
125 HD2 PHE 64 HD1 PHE 64 53.740 -2.630 -4.231
126 HE1 PHE 64 HE2 PHE 64 54.431 2.020 -2.786
127 HE2 PHE 64 HE1 PHE 64 55.635 -1.339 -5.120
128 HZ PHE 64 HZ PHE 64 55.983 0.989 -4.396
129 HA PRO 65 HA PRO 65 47.275 -4.256 -3.174
130 HB2 PRO 65 HB2 PRO 65 48.215 -6.532 -4.417
131 HB3 PRO 65 HB1 PRO 65 47.352 -5.227 -5.235
132 HG2 PRO 65 HG2 PRO 65 50.283 -5.770 -5.097
133 HG3 PRO 65 HG1 PRO 65 49.313 -5.186 -6.459
134 HD2 PRO 65 HD2 PRO 65 50.858 -3.536 -4.993
135 HD3 PRO 65 HD1 PRO 65 49.315 -3.008 -5.693
136 H ALA 66 HN ALA 66 46.802 -5.911 -1.734
137 HA ALA 66 HA ALA 66 48.506 -6.276 0.423
138 HB1 ALA 66 HB1 ALA 66 46.320 -6.676 0.963
139 HB2 ALA 66 HB2 ALA 66 46.921 -8.329 0.835
140 HB3 ALA 66 HB3 ALA 66 46.013 -7.615 -0.499
141 H THR 67 HN THR 67 48.411 -7.971 -2.586
142 HA THR 67 HA THR 67 49.760 -10.324 -1.646
143 HB THR 67 HB THR 67 50.124 -10.431 -4.310
144 HG1 THR 67 HG1 THR 67 48.373 -9.423 -5.316
145 HG21 THR 67 HG21 THR 67 47.516 -10.971 -2.913
146 HG22 THR 67 HG22 THR 67 48.863 -12.093 -3.106
147 HG23 THR 67 HG23 THR 67 47.954 -11.554 -4.518
148 H GLU 68 HN GLU 68 50.690 -7.198 -2.780
149 HA GLU 68 HA GLU 68 53.440 -8.082 -3.179
150 HB2 GLU 68 HB2 GLU 68 51.880 -5.691 -4.043
151 HB3 GLU 68 HB1 GLU 68 53.623 -5.541 -3.877
152 HG2 GLU 68 HG2 GLU 68 53.223 -6.066 -6.132
153 HG3 GLU 68 HG1 GLU 68 53.824 -7.547 -5.388
154 H LYS 69 HN LYS 69 52.311 -7.970 -0.531
155 HA LYS 69 HA LYS 69 52.906 -5.688 0.923
156 HB2 LYS 69 HB2 LYS 69 53.072 -7.129 2.877
157 HB3 LYS 69 HB1 LYS 69 51.744 -7.654 1.853
158 HG2 LYS 69 HG2 LYS 69 52.679 -9.669 2.309
159 HG3 LYS 69 HG1 LYS 69 53.605 -9.249 0.866
160 HD2 LYS 69 HD2 LYS 69 55.409 -9.649 2.135
161 HD3 LYS 69 HD1 LYS 69 55.071 -8.075 2.857
162 HE2 LYS 69 HE2 LYS 69 55.023 -9.205 4.794
163 HE3 LYS 69 HE1 LYS 69 53.409 -9.696 4.279
164 HZ1 LYS 69 HZ1 LYS 69 54.084 -11.787 3.862
165 HZ2 LYS 69 HZ2 LYS 69 55.320 -11.413 4.953
166 HZ3 LYS 69 HZ3 LYS 69 55.606 -11.319 3.289
167 H GLN 70 HN GLN 70 55.026 -8.114 -0.395
168 HA GLN 70 HA GLN 70 57.336 -7.503 1.120
169 HB2 GLN 70 HB2 GLN 70 56.729 -9.468 -0.607
170 HB3 GLN 70 HB1 GLN 70 57.665 -8.434 -1.677
171 HG2 GLN 70 HG2 GLN 70 59.402 -9.599 -0.889
172 HG3 GLN 70 HG1 GLN 70 59.281 -8.502 0.485
173 HE21 GLN 70 HE21 GLN 70 57.690 -9.259 2.197
174 HE22 GLN 70 HE22 GLN 70 57.761 -10.933 2.618
175 H ILE 71 HN ILE 71 56.179 -6.390 -2.027
176 HA ILE 71 HA ILE 71 58.389 -4.684 -2.546
177 HB ILE 71 HB ILE 71 55.590 -4.576 -3.684
178 HG12 ILE 71 HG12 ILE 71 57.028 -5.584 -5.677
179 HG13 ILE 71 HG11 ILE 71 58.044 -6.142 -4.351
180 HG21 ILE 71 HG21 ILE 71 58.136 -3.349 -4.737
181 HG22 ILE 71 HG22 ILE 71 56.830 -2.466 -3.945
182 HG23 ILE 71 HG23 ILE 71 56.543 -3.269 -5.488
183 HD11 ILE 71 HD11 ILE 71 55.255 -6.692 -3.853
184 HD12 ILE 71 HD12 ILE 71 56.639 -7.783 -3.871
185 HD13 ILE 71 HD13 ILE 71 55.804 -7.397 -5.374
186 H PHE 72 HN PHE 72 55.358 -4.306 -0.844
187 HA PHE 72 HA PHE 72 55.323 -1.485 -0.723
188 HB2 PHE 72 HB2 PHE 72 53.320 -2.751 -0.217
189 HB3 PHE 72 HB1 PHE 72 54.125 -3.559 1.125
190 HD1 PHE 72 HD2 PHE 72 53.744 -0.001 0.053
191 HD2 PHE 72 HD1 PHE 72 53.306 -2.885 3.150
192 HE1 PHE 72 HE2 PHE 72 52.965 1.763 1.579
193 HE2 PHE 72 HE1 PHE 72 52.524 -1.127 4.683
194 HZ PHE 72 HZ PHE 72 52.354 1.202 3.898
195 H GLU 73 HN GLU 73 56.756 -3.961 1.331
196 HA GLU 73 HA GLU 73 57.649 -2.141 3.341
197 HB2 GLU 73 HB2 GLU 73 58.446 -4.981 2.678
198 HB3 GLU 73 HB1 GLU 73 59.084 -4.090 4.052
199 HG2 GLU 73 HG2 GLU 73 56.813 -3.860 4.942
200 HG3 GLU 73 HG1 GLU 73 56.195 -4.787 3.577
201 H ASP 74 HN ASP 74 58.941 -3.464 0.379
202 HA ASP 74 HA ASP 74 61.609 -2.590 0.780
203 HB2 ASP 74 HB2 ASP 74 60.413 -4.257 -1.012
204 HB3 ASP 74 HB1 ASP 74 60.667 -2.824 -2.004
205 H HIS 75 HN HIS 75 58.823 -1.274 -0.940
206 HA HIS 75 HA HIS 75 60.018 0.965 -2.073
207 HB2 HIS 75 HB2 HIS 75 57.774 0.313 -2.695
208 HB3 HIS 75 HB1 HIS 75 57.199 0.586 -1.054
209 HD1 HIS 75 HD1 HIS 75 57.483 2.243 -4.273
210 HD2 HIS 75 HD2 HIS 75 57.407 3.418 -0.282
211 HE1 HIS 75 HE1 HIS 75 56.935 4.715 -4.262
212 H VAL 76 HN VAL 76 58.263 0.732 1.006
213 HA VAL 76 HA VAL 76 58.783 3.339 1.900
214 HB VAL 76 HB VAL 76 58.444 0.849 3.586
215 HG11 VAL 76 HG11 VAL 76 58.429 2.132 5.417
216 HG12 VAL 76 HG12 VAL 76 57.435 3.368 4.646
217 HG13 VAL 76 HG13 VAL 76 59.183 3.368 4.412
218 HG21 VAL 76 HG21 VAL 76 56.649 1.755 1.788
219 HG22 VAL 76 HG22 VAL 76 56.186 2.700 3.203
220 HG23 VAL 76 HG23 VAL 76 56.211 0.939 3.289
221 H PHE 77 HN PHE 77 60.595 0.350 2.133
222 HA PHE 77 HA PHE 77 62.598 1.117 3.915
223 HB2 PHE 77 HB2 PHE 77 62.136 -1.042 2.078
224 HB3 PHE 77 HB1 PHE 77 63.802 -0.499 1.915
225 HD1 PHE 77 HD1 PHE 77 61.304 -1.453 4.504
226 HD2 PHE 77 HD2 PHE 77 65.402 -1.297 3.370
227 HE1 PHE 77 HE1 PHE 77 61.907 -2.716 6.527
228 HE2 PHE 77 HE2 PHE 77 66.013 -2.562 5.390
229 HZ PHE 77 HZ PHE 77 64.265 -3.272 6.971
230 H CYS 78 HN CYS 78 62.108 1.844 0.533
231 HA CYS 78 HA CYS 78 64.698 2.852 0.026
232 HB2 CYS 78 HB2 CYS 78 62.326 2.492 -1.457
233 HB3 CYS 78 HB1 CYS 78 62.702 4.209 -1.554
234 HG CYS 78 HG CYS 78 63.923 3.067 -3.507
235 H HIS 79 HN HIS 79 61.672 4.399 0.980
236 HA HIS 79 HA HIS 79 62.710 7.022 1.129
237 HB2 HIS 79 HB2 HIS 79 60.402 5.699 2.569
238 HB3 HIS 79 HB1 HIS 79 60.778 7.411 2.717
239 HD1 HIS 79 HD1 HIS 79 60.473 8.857 0.471
240 HD2 HIS 79 HD2 HIS 79 58.970 4.987 0.384
241 HE1 HIS 79 HE1 HIS 79 58.883 8.757 -1.495
242 H SER 80 HN SER 80 63.158 4.215 3.013
243 HA SER 80 HA SER 80 63.800 5.516 5.487
244 HB2 SER 80 HB2 SER 80 63.447 2.827 4.570
245 HB3 SER 80 HB1 SER 80 64.999 2.948 5.398
246 HG SER 80 HG SER 80 62.419 3.532 6.391
247 H LEU 81 HN LEU 81 65.444 5.017 2.558
248 HA LEU 81 HA LEU 81 68.089 4.912 3.635
249 HB2 LEU 81 HB2 LEU 81 67.197 5.582 0.839
250 HB3 LEU 81 HB1 LEU 81 68.823 5.140 1.333
251 HG LEU 81 HG LEU 81 66.611 3.252 1.933
252 HD11 LEU 81 HD11 LEU 81 66.657 2.281 -0.251
253 HD12 LEU 81 HD12 LEU 81 67.925 3.387 -0.778
254 HD13 LEU 81 HD13 LEU 81 66.306 3.999 -0.440
255 HD21 LEU 81 HD21 LEU 81 68.671 1.783 1.037
256 HD22 LEU 81 HD22 LEU 81 68.516 2.314 2.712
257 HD23 LEU 81 HD23 LEU 81 69.545 3.210 1.595
Start of MODEL 4
1 H1 GLN 49 HT1 GLN 49 37.653 2.195 1.209
2 H2 GLN 49 HT2 GLN 49 39.311 2.644 1.217
3 H3 GLN 49 HT3 GLN 49 38.094 3.848 1.100
4 HA GLN 49 HA GLN 49 39.163 3.602 3.297
5 HB2 GLN 49 HB2 GLN 49 36.317 3.689 2.565
6 HB3 GLN 49 HB1 GLN 49 36.608 3.273 4.248
7 HG2 GLN 49 HG2 GLN 49 37.877 5.297 4.572
8 HG3 GLN 49 HG1 GLN 49 37.723 5.700 2.863
9 HE21 GLN 49 HE21 GLN 49 36.919 7.336 5.033
10 HE22 GLN 49 HE22 GLN 49 35.208 7.546 4.928
11 H MET 50 HN MET 50 40.086 2.109 4.529
12 HA MET 50 HA MET 50 40.506 0.171 5.642
13 HB2 MET 50 HB2 MET 50 37.904 0.829 6.221
14 HB3 MET 50 HB1 MET 50 37.742 -0.821 5.637
15 HG2 MET 50 HG2 MET 50 38.669 -1.686 7.469
16 HG3 MET 50 HG1 MET 50 39.938 -0.463 7.521
17 HE1 MET 50 HE1 MET 50 40.100 0.571 9.914
18 HE2 MET 50 HE2 MET 50 38.956 1.886 10.181
19 HE3 MET 50 HE3 MET 50 39.811 1.760 8.644
20 H GLN 51 HN GLN 51 41.000 -0.001 2.999
21 HA GLN 51 HA GLN 51 39.858 -2.565 2.128
22 HB2 GLN 51 HB2 GLN 51 41.174 -0.310 0.632
23 HB3 GLN 51 HB1 GLN 51 40.968 -1.899 -0.090
24 HG2 GLN 51 HG2 GLN 51 38.769 -0.115 0.929
25 HG3 GLN 51 HG1 GLN 51 39.188 -0.398 -0.760
26 HE21 GLN 51 HE21 GLN 51 39.473 -3.002 -1.015
27 HE22 GLN 51 HE22 GLN 51 38.036 -3.855 -0.577
28 HA PRO 52 HA PRO 52 43.993 -3.996 3.334
29 HB2 PRO 52 HB2 PRO 52 42.884 -6.646 3.514
30 HB3 PRO 52 HB1 PRO 52 43.404 -5.586 4.823
31 HG2 PRO 52 HG2 PRO 52 40.793 -6.303 4.357
32 HG3 PRO 52 HG1 PRO 52 41.289 -4.837 5.219
33 HD2 PRO 52 HD2 PRO 52 40.401 -5.162 2.380
34 HD3 PRO 52 HD1 PRO 52 40.043 -3.860 3.535
35 H LEU 53 HN LEU 53 42.456 -4.174 0.513
36 HA LEU 53 HA LEU 53 43.940 -6.424 -0.595
37 HB2 LEU 53 HB2 LEU 53 41.456 -5.169 -1.176
38 HB3 LEU 53 HB1 LEU 53 42.482 -4.996 -2.588
39 HG LEU 53 HG LEU 53 42.530 -7.703 -1.497
40 HD11 LEU 53 HD11 LEU 53 40.291 -8.334 -2.145
41 HD12 LEU 53 HD12 LEU 53 39.915 -6.666 -2.581
42 HD13 LEU 53 HD13 LEU 53 40.219 -7.090 -0.896
43 HD21 LEU 53 HD21 LEU 53 41.600 -6.883 -4.219
44 HD22 LEU 53 HD22 LEU 53 42.515 -8.309 -3.730
45 HD23 LEU 53 HD23 LEU 53 43.300 -6.731 -3.772
46 H CYS 54 HN CYS 54 45.243 -3.905 0.300
47 HA CYS 54 HA CYS 54 47.171 -3.647 -1.679
48 HB2 CYS 54 HB2 CYS 54 46.597 -1.258 -2.419
49 HB3 CYS 54 HB1 CYS 54 45.683 -2.570 -3.153
50 HG CYS 54 HG CYS 54 43.735 -1.243 -2.483
51 H PHE 55 HN PHE 55 48.908 -2.474 -0.955
52 HA PHE 55 HA PHE 55 48.648 -1.365 1.741
53 HB2 PHE 55 HB2 PHE 55 51.147 -2.007 0.161
54 HB3 PHE 55 HB1 PHE 55 51.079 -1.547 1.858
55 HD1 PHE 55 HD1 PHE 55 49.517 -3.087 3.336
56 HD2 PHE 55 HD2 PHE 55 51.295 -4.237 -0.355
57 HE1 PHE 55 HE1 PHE 55 49.294 -5.453 3.971
58 HE2 PHE 55 HE2 PHE 55 51.074 -6.606 0.273
59 HZ PHE 55 HZ PHE 55 50.073 -7.216 2.439
60 H ASN 56 HN ASN 56 49.651 0.662 2.293
61 HA ASN 56 HA ASN 56 50.094 2.467 0.016
62 HB2 ASN 56 HB2 ASN 56 48.376 3.062 2.434
63 HB3 ASN 56 HB1 ASN 56 48.823 4.237 1.200
64 HD21 ASN 56 HD21 ASN 56 46.269 4.063 1.532
65 HD22 ASN 56 HD22 ASN 56 45.490 3.134 0.301
66 H CYS 57 HN CYS 57 51.888 3.648 0.188
67 HA CYS 57 HA CYS 57 53.526 3.433 2.537
68 HB2 CYS 57 HB2 CYS 57 54.666 3.423 0.438
69 HB3 CYS 57 HB1 CYS 57 53.865 4.900 -0.081
70 HA PRO 58 HA PRO 58 51.629 7.101 4.318
71 HB2 PRO 58 HB2 PRO 58 52.827 6.956 6.727
72 HB3 PRO 58 HB1 PRO 58 51.502 5.880 6.268
73 HG2 PRO 58 HG2 PRO 58 54.450 5.358 6.274
74 HG3 PRO 58 HG1 PRO 58 53.127 4.311 6.821
75 HD2 PRO 58 HD2 PRO 58 54.346 4.039 4.398
76 HD3 PRO 58 HD1 PRO 58 52.658 3.583 4.695
77 H ILE 59 HN ILE 59 54.946 6.542 3.627
78 HA ILE 59 HA ILE 59 55.949 8.991 4.716
79 HB ILE 59 HB ILE 59 57.218 7.286 2.574
80 HG12 ILE 59 HG12 ILE 59 58.463 6.818 5.049
81 HG13 ILE 59 HG11 ILE 59 56.734 6.750 5.381
82 HG21 ILE 59 HG21 ILE 59 58.432 9.243 2.591
83 HG22 ILE 59 HG22 ILE 59 59.296 8.288 3.794
84 HG23 ILE 59 HG23 ILE 59 58.152 9.527 4.308
85 HD11 ILE 59 HD11 ILE 59 56.410 4.955 3.938
86 HD12 ILE 59 HD12 ILE 59 57.934 4.589 4.747
87 HD13 ILE 59 HD13 ILE 59 57.940 5.227 3.105
88 H CYS 60 HN CYS 60 55.321 7.907 1.351
89 HA CYS 60 HA CYS 60 55.186 10.762 0.620
90 HB2 CYS 60 HB2 CYS 60 55.949 10.234 -1.568
91 HB3 CYS 60 HB1 CYS 60 57.016 9.397 -0.447
92 H ASP 61 HN ASP 61 53.237 8.194 1.231
93 HA ASP 61 HA ASP 61 50.983 7.946 0.971
94 HB2 ASP 61 HB2 ASP 61 51.163 10.549 0.500
95 HB3 ASP 61 HB1 ASP 61 50.788 10.043 -1.144
96 H LYS 62 HN LYS 62 52.878 6.459 -0.474
97 HA LYS 62 HA LYS 62 51.902 6.202 -3.186
98 HB2 LYS 62 HB2 LYS 62 54.306 5.604 -1.919
99 HB3 LYS 62 HB1 LYS 62 53.604 4.029 -2.264
100 HG2 LYS 62 HG2 LYS 62 53.357 5.769 -4.543
101 HG3 LYS 62 HG1 LYS 62 55.035 5.669 -4.007
102 HD2 LYS 62 HD2 LYS 62 55.128 3.361 -4.332
103 HD3 LYS 62 HD1 LYS 62 53.371 3.194 -4.317
104 HE2 LYS 62 HE2 LYS 62 53.400 4.605 -6.447
105 HE3 LYS 62 HE1 LYS 62 55.133 4.285 -6.492
106 HZ1 LYS 62 HZ1 LYS 62 53.211 2.063 -6.244
107 HZ2 LYS 62 HZ2 LYS 62 54.791 2.041 -6.846
108 HZ3 LYS 62 HZ3 LYS 62 53.549 2.733 -7.761
109 H ILE 63 HN ILE 63 51.416 3.872 -3.957
110 HA ILE 63 HA ILE 63 49.987 2.296 -1.961
111 HB ILE 63 HB ILE 63 48.609 3.289 -4.456
112 HG12 ILE 63 HG12 ILE 63 47.082 4.305 -2.566
113 HG13 ILE 63 HG11 ILE 63 48.555 4.206 -1.607
114 HG21 ILE 63 HG21 ILE 63 47.525 1.329 -4.114
115 HG22 ILE 63 HG22 ILE 63 46.638 2.308 -2.947
116 HG23 ILE 63 HG23 ILE 63 47.950 1.264 -2.404
117 HD11 ILE 63 HD11 ILE 63 47.852 6.001 -3.824
118 HD12 ILE 63 HD12 ILE 63 49.511 5.403 -3.816
119 HD13 ILE 63 HD13 ILE 63 48.880 6.272 -2.417
120 H PHE 64 HN PHE 64 49.582 0.161 -2.563
121 HA PHE 64 HA PHE 64 50.385 -0.790 -5.181
122 HB2 PHE 64 HB2 PHE 64 51.663 -2.246 -2.918
123 HB3 PHE 64 HB1 PHE 64 52.198 -2.070 -4.583
124 HD1 PHE 64 HD1 PHE 64 51.753 -0.066 -1.473
125 HD2 PHE 64 HD2 PHE 64 53.985 -0.703 -5.039
126 HE1 PHE 64 HE1 PHE 64 53.377 1.636 -0.755
127 HE2 PHE 64 HE2 PHE 64 55.613 0.999 -4.328
128 HZ PHE 64 HZ PHE 64 55.312 2.166 -2.181
129 HA PRO 65 HA PRO 65 47.217 -3.751 -4.386
130 HB2 PRO 65 HB2 PRO 65 48.143 -5.973 -5.664
131 HB3 PRO 65 HB1 PRO 65 47.482 -4.572 -6.512
132 HG2 PRO 65 HG2 PRO 65 50.335 -5.328 -6.037
133 HG3 PRO 65 HG1 PRO 65 49.580 -4.668 -7.498
134 HD2 PRO 65 HD2 PRO 65 51.020 -3.143 -5.781
135 HD3 PRO 65 HD1 PRO 65 49.648 -2.504 -6.708
136 H ALA 66 HN ALA 66 46.689 -5.694 -3.229
137 HA ALA 66 HA ALA 66 48.037 -6.072 -0.853
138 HB1 ALA 66 HB1 ALA 66 46.786 -8.360 -0.880
139 HB2 ALA 66 HB2 ALA 66 46.045 -7.717 -2.346
140 HB3 ALA 66 HB3 ALA 66 45.872 -6.854 -0.819
141 H THR 67 HN THR 67 48.516 -7.700 -3.925
142 HA THR 67 HA THR 67 50.289 -9.688 -2.851
143 HB THR 67 HB THR 67 50.791 -9.838 -5.470
144 HG1 THR 67 HG1 THR 67 49.653 -8.157 -6.229
145 HG21 THR 67 HG21 THR 67 48.960 -11.378 -5.742
146 HG22 THR 67 HG22 THR 67 48.163 -10.728 -4.309
147 HG23 THR 67 HG23 THR 67 49.693 -11.592 -4.152
148 H GLU 68 HN GLU 68 50.683 -6.454 -3.264
149 HA GLU 68 HA GLU 68 53.426 -6.615 -4.224
150 HB2 GLU 68 HB2 GLU 68 51.396 -4.713 -4.533
151 HB3 GLU 68 HB1 GLU 68 52.570 -3.958 -3.466
152 HG2 GLU 68 HG2 GLU 68 53.496 -3.332 -5.415
153 HG3 GLU 68 HG1 GLU 68 54.235 -4.928 -5.315
154 H LYS 69 HN LYS 69 52.646 -7.656 -1.590
155 HA LYS 69 HA LYS 69 53.346 -5.927 0.492
156 HB2 LYS 69 HB2 LYS 69 53.713 -7.935 1.828
157 HB3 LYS 69 HB1 LYS 69 52.263 -8.105 0.848
158 HG2 LYS 69 HG2 LYS 69 53.058 -10.039 0.124
159 HG3 LYS 69 HG1 LYS 69 54.331 -9.148 -0.712
160 HD2 LYS 69 HD2 LYS 69 55.867 -9.492 0.999
161 HD3 LYS 69 HD1 LYS 69 54.611 -9.831 2.191
162 HE2 LYS 69 HE2 LYS 69 54.084 -11.900 0.800
163 HE3 LYS 69 HE1 LYS 69 55.612 -11.598 -0.023
164 HZ1 LYS 69 HZ1 LYS 69 56.821 -12.055 1.865
165 HZ2 LYS 69 HZ2 LYS 69 55.554 -13.166 2.006
166 HZ3 LYS 69 HZ3 LYS 69 55.533 -11.741 2.915
167 H GLN 70 HN GLN 70 55.295 -7.759 -1.744
168 HA GLN 70 HA GLN 70 57.754 -7.512 -0.327
169 HB2 GLN 70 HB2 GLN 70 56.972 -8.301 -3.103
170 HB3 GLN 70 HB1 GLN 70 58.659 -7.946 -2.762
171 HG2 GLN 70 HG2 GLN 70 57.086 -9.905 -1.126
172 HG3 GLN 70 HG1 GLN 70 57.912 -10.370 -2.613
173 HE21 GLN 70 HE21 GLN 70 58.218 -9.768 0.709
174 HE22 GLN 70 HE22 GLN 70 59.932 -9.958 0.833
175 H ILE 71 HN ILE 71 56.261 -5.731 -2.985
176 HA ILE 71 HA ILE 71 58.412 -3.874 -3.266
177 HB ILE 71 HB ILE 71 55.560 -3.526 -4.191
178 HG12 ILE 71 HG12 ILE 71 57.908 -4.839 -5.579
179 HG13 ILE 71 HG11 ILE 71 56.441 -5.642 -5.027
180 HG21 ILE 71 HG21 ILE 71 57.019 -1.510 -4.188
181 HG22 ILE 71 HG22 ILE 71 56.459 -1.982 -5.792
182 HG23 ILE 71 HG23 ILE 71 58.109 -2.352 -5.290
183 HD11 ILE 71 HD11 ILE 71 55.437 -5.204 -6.944
184 HD12 ILE 71 HD12 ILE 71 56.950 -4.520 -7.539
185 HD13 ILE 71 HD13 ILE 71 55.755 -3.479 -6.765
186 H PHE 72 HN PHE 72 55.477 -4.010 -1.384
187 HA PHE 72 HA PHE 72 55.344 -1.277 -0.671
188 HB2 PHE 72 HB2 PHE 72 53.410 -2.720 -0.416
189 HB3 PHE 72 HB1 PHE 72 54.279 -3.737 0.725
190 HD1 PHE 72 HD2 PHE 72 53.904 -0.037 0.460
191 HD2 PHE 72 HD1 PHE 72 53.283 -3.546 2.786
192 HE1 PHE 72 HE2 PHE 72 53.072 1.346 2.317
193 HE2 PHE 72 HE1 PHE 72 52.449 -2.169 4.647
194 HZ PHE 72 HZ PHE 72 52.343 0.280 4.415
195 H GLU 73 HN GLU 73 56.854 -4.083 0.856
196 HA GLU 73 HA GLU 73 57.766 -2.637 3.143
197 HB2 GLU 73 HB2 GLU 73 59.053 -4.646 3.655
198 HB3 GLU 73 HB1 GLU 73 57.409 -5.071 3.203
199 HG2 GLU 73 HG2 GLU 73 58.108 -5.803 1.048
200 HG3 GLU 73 HG1 GLU 73 59.731 -5.161 1.298
201 H ASP 74 HN ASP 74 59.066 -3.494 0.009
202 HA ASP 74 HA ASP 74 61.721 -2.659 0.550
203 HB2 ASP 74 HB2 ASP 74 60.272 -3.775 -1.673
204 HB3 ASP 74 HB1 ASP 74 61.257 -2.423 -2.224
205 H HIS 75 HN HIS 75 58.907 -1.132 -0.922
206 HA HIS 75 HA HIS 75 60.088 1.244 -1.760
207 HB2 HIS 75 HB2 HIS 75 57.831 0.615 -2.425
208 HB3 HIS 75 HB1 HIS 75 57.279 0.756 -0.759
209 HD1 HIS 75 HD1 HIS 75 57.347 2.634 -3.813
210 HD2 HIS 75 HD2 HIS 75 57.709 3.544 0.229
211 HE1 HIS 75 HE1 HIS 75 56.892 5.115 -3.592
212 H VAL 76 HN VAL 76 58.358 0.582 1.271
213 HA VAL 76 HA VAL 76 58.868 3.050 2.501
214 HB VAL 76 HB VAL 76 58.543 0.359 3.846
215 HG11 VAL 76 HG11 VAL 76 57.512 2.661 5.268
216 HG12 VAL 76 HG12 VAL 76 59.245 2.798 4.970
217 HG13 VAL 76 HG13 VAL 76 58.604 1.391 5.818
218 HG21 VAL 76 HG21 VAL 76 56.686 1.986 2.365
219 HG22 VAL 76 HG22 VAL 76 56.175 1.834 4.046
220 HG23 VAL 76 HG23 VAL 76 56.457 0.389 3.078
221 H PHE 77 HN PHE 77 60.713 0.079 2.309
222 HA PHE 77 HA PHE 77 62.704 0.598 4.187
223 HB2 PHE 77 HB2 PHE 77 62.246 -1.306 2.131
224 HB3 PHE 77 HB1 PHE 77 63.869 -0.667 1.887
225 HD1 PHE 77 HD2 PHE 77 65.258 -0.455 4.164
226 HD2 PHE 77 HD1 PHE 77 62.037 -3.147 3.471
227 HE1 PHE 77 HE2 PHE 77 66.104 -1.921 5.950
228 HE2 PHE 77 HE1 PHE 77 62.877 -4.619 5.256
229 HZ PHE 77 HZ PHE 77 64.914 -4.006 6.498
230 H CYS 78 HN CYS 78 62.269 1.744 0.903
231 HA CYS 78 HA CYS 78 64.819 2.894 0.593
232 HB2 CYS 78 HB2 CYS 78 62.528 2.649 -0.987
233 HB3 CYS 78 HB1 CYS 78 62.743 4.385 -0.786
234 HG CYS 78 HG CYS 78 64.674 2.504 -2.291
235 H HIS 79 HN HIS 79 61.744 4.255 1.688
236 HA HIS 79 HA HIS 79 62.730 6.848 2.215
237 HB2 HIS 79 HB2 HIS 79 60.436 5.297 3.433
238 HB3 HIS 79 HB1 HIS 79 60.780 6.976 3.830
239 HD1 HIS 79 HD1 HIS 79 60.503 8.716 1.784
240 HD2 HIS 79 HD2 HIS 79 59.002 4.891 1.185
241 HE1 HIS 79 HE1 HIS 79 58.922 8.875 -0.186
242 H SER 80 HN SER 80 63.209 3.822 3.709
243 HA SER 80 HA SER 80 63.801 4.785 6.344
244 HB2 SER 80 HB2 SER 80 63.186 2.338 5.371
245 HB3 SER 80 HB1 SER 80 64.940 2.195 5.486
246 HG SER 80 HG SER 80 63.502 1.682 7.411
247 H LEU 81 HN LEU 81 65.499 4.686 3.397
248 HA LEU 81 HA LEU 81 68.127 4.491 4.496
249 HB2 LEU 81 HB2 LEU 81 67.267 5.510 1.797
250 HB3 LEU 81 HB1 LEU 81 68.892 5.028 2.258
251 HG LEU 81 HG LEU 81 66.700 3.048 2.567
252 HD11 LEU 81 HD11 LEU 81 66.804 2.370 0.272
253 HD12 LEU 81 HD12 LEU 81 68.053 3.565 -0.081
254 HD13 LEU 81 HD13 LEU 81 66.414 4.090 0.308
255 HD21 LEU 81 HD21 LEU 81 69.336 2.405 1.390
256 HD22 LEU 81 HD22 LEU 81 68.380 1.530 2.585
257 HD23 LEU 81 HD23 LEU 81 69.328 2.936 3.072
Start of MODEL 5
1 H1 GLN 49 HT1 GLN 49 34.390 -0.545 1.507
2 H2 GLN 49 HT2 GLN 49 34.255 0.740 2.636
3 H3 GLN 49 HT3 GLN 49 34.862 -0.785 3.137
4 HA GLN 49 HA GLN 49 36.136 0.944 1.128
5 HB2 GLN 49 HB2 GLN 49 36.342 0.772 4.108
6 HB3 GLN 49 HB1 GLN 49 37.791 1.129 3.178
7 HG2 GLN 49 HG2 GLN 49 35.268 2.701 2.810
8 HG3 GLN 49 HG1 GLN 49 36.426 3.086 4.083
9 HE21 GLN 49 HE21 GLN 49 35.514 4.382 1.471
10 HE22 GLN 49 HE22 GLN 49 36.995 4.820 0.697
11 H MET 50 HN MET 50 38.429 0.320 0.862
12 HA MET 50 HA MET 50 38.963 -2.500 1.469
13 HB2 MET 50 HB2 MET 50 39.133 -1.211 -1.257
14 HB3 MET 50 HB1 MET 50 39.877 -2.756 -0.866
15 HG2 MET 50 HG2 MET 50 37.899 -3.414 -1.817
16 HG3 MET 50 HG1 MET 50 37.490 -3.420 -0.102
17 HE1 MET 50 HE1 MET 50 34.298 -1.887 -0.176
18 HE2 MET 50 HE2 MET 50 35.363 -3.254 0.155
19 HE3 MET 50 HE3 MET 50 34.546 -3.130 -1.402
20 H GLN 51 HN GLN 51 39.985 -0.094 2.665
21 HA GLN 51 HA GLN 51 42.533 0.580 1.643
22 HB2 GLN 51 HB2 GLN 51 40.911 1.532 3.653
23 HB3 GLN 51 HB1 GLN 51 42.244 0.818 4.549
24 HG2 GLN 51 HG2 GLN 51 42.588 3.196 4.095
25 HG3 GLN 51 HG1 GLN 51 43.832 2.186 3.356
26 HE21 GLN 51 HE21 GLN 51 44.082 4.270 2.147
27 HE22 GLN 51 HE22 GLN 51 43.162 4.454 0.697
28 HA PRO 52 HA PRO 52 44.139 -2.544 5.093
29 HB2 PRO 52 HB2 PRO 52 41.834 -4.413 5.070
30 HB3 PRO 52 HB1 PRO 52 42.829 -3.869 6.424
31 HG2 PRO 52 HG2 PRO 52 40.344 -2.957 6.098
32 HG3 PRO 52 HG1 PRO 52 41.641 -1.895 6.676
33 HD2 PRO 52 HD2 PRO 52 40.404 -2.075 3.959
34 HD3 PRO 52 HD1 PRO 52 40.943 -0.645 4.862
35 H LEU 53 HN LEU 53 42.323 -3.218 2.221
36 HA LEU 53 HA LEU 53 43.554 -5.752 1.674
37 HB2 LEU 53 HB2 LEU 53 41.276 -4.913 0.864
38 HB3 LEU 53 HB1 LEU 53 42.169 -3.992 -0.331
39 HG LEU 53 HG LEU 53 43.205 -6.223 -1.040
40 HD11 LEU 53 HD11 LEU 53 42.750 -7.829 0.492
41 HD12 LEU 53 HD12 LEU 53 41.325 -8.044 -0.525
42 HD13 LEU 53 HD13 LEU 53 41.213 -7.103 0.963
43 HD21 LEU 53 HD21 LEU 53 41.207 -6.803 -2.398
44 HD22 LEU 53 HD22 LEU 53 41.612 -5.087 -2.430
45 HD23 LEU 53 HD23 LEU 53 40.270 -5.658 -1.437
46 H CYS 54 HN CYS 54 44.830 -2.719 1.657
47 HA CYS 54 HA CYS 54 46.966 -3.539 -0.127
48 HB2 CYS 54 HB2 CYS 54 46.916 -1.486 -1.448
49 HB3 CYS 54 HB1 CYS 54 45.396 -2.360 -1.615
50 HG CYS 54 HG CYS 54 44.181 -0.455 -0.644
51 H PHE 55 HN PHE 55 48.499 -1.363 -0.256
52 HA PHE 55 HA PHE 55 48.721 -0.234 2.432
53 HB2 PHE 55 HB2 PHE 55 51.017 -1.623 1.035
54 HB3 PHE 55 HB1 PHE 55 51.089 -0.806 2.593
55 HD1 PHE 55 HD1 PHE 55 49.106 -1.699 4.243
56 HD2 PHE 55 HD2 PHE 55 51.001 -3.903 1.136
57 HE1 PHE 55 HE1 PHE 55 48.506 -3.801 5.374
58 HE2 PHE 55 HE2 PHE 55 50.405 -6.009 2.261
59 HZ PHE 55 HZ PHE 55 49.156 -5.959 4.382
60 H ASN 56 HN ASN 56 48.735 1.884 2.119
61 HA ASN 56 HA ASN 56 49.835 3.006 -0.334
62 HB2 ASN 56 HB2 ASN 56 48.390 4.368 1.950
63 HB3 ASN 56 HB1 ASN 56 48.815 5.108 0.409
64 HD21 ASN 56 HD21 ASN 56 46.467 5.532 0.439
65 HD22 ASN 56 HD22 ASN 56 45.418 4.328 -0.221
66 H CYS 57 HN CYS 57 51.680 4.165 -0.467
67 HA CYS 57 HA CYS 57 53.526 4.051 1.714
68 HB2 CYS 57 HB2 CYS 57 54.317 3.849 -0.588
69 HB3 CYS 57 HB1 CYS 57 53.721 5.464 -0.957
70 HA PRO 58 HA PRO 58 51.982 7.927 3.421
71 HB2 PRO 58 HB2 PRO 58 53.442 7.853 5.696
72 HB3 PRO 58 HB1 PRO 58 51.986 6.877 5.466
73 HG2 PRO 58 HG2 PRO 58 54.860 6.086 5.182
74 HG3 PRO 58 HG1 PRO 58 53.531 5.209 5.964
75 HD2 PRO 58 HD2 PRO 58 54.403 4.620 3.465
76 HD3 PRO 58 HD1 PRO 58 52.711 4.416 3.963
77 H ILE 59 HN ILE 59 55.088 7.140 2.287
78 HA ILE 59 HA ILE 59 56.291 9.653 3.088
79 HB ILE 59 HB ILE 59 57.451 7.615 1.198
80 HG12 ILE 59 HG12 ILE 59 58.730 7.348 3.650
81 HG13 ILE 59 HG11 ILE 59 57.032 7.504 4.085
82 HG21 ILE 59 HG21 ILE 59 58.475 10.022 2.629
83 HG22 ILE 59 HG22 ILE 59 58.742 9.504 0.964
84 HG23 ILE 59 HG23 ILE 59 59.574 8.686 2.287
85 HD11 ILE 59 HD11 ILE 59 57.860 5.594 1.948
86 HD12 ILE 59 HD12 ILE 59 56.444 5.558 2.998
87 HD13 ILE 59 HD13 ILE 59 58.035 5.165 3.649
88 H CYS 60 HN CYS 60 55.522 8.069 -0.056
89 HA CYS 60 HA CYS 60 55.453 10.789 -1.182
90 HB2 CYS 60 HB2 CYS 60 56.181 9.969 -3.290
91 HB3 CYS 60 HB1 CYS 60 57.262 9.307 -2.073
92 H ASP 61 HN ASP 61 53.931 7.596 -1.497
93 HA ASP 61 HA ASP 61 51.345 8.122 -1.282
94 HB2 ASP 61 HB2 ASP 61 50.532 8.583 -3.663
95 HB3 ASP 61 HB1 ASP 61 51.235 9.942 -2.793
96 H LYS 62 HN LYS 62 53.606 6.761 -3.589
97 HA LYS 62 HA LYS 62 52.409 4.860 -4.971
98 HB2 LYS 62 HB2 LYS 62 54.915 5.205 -4.581
99 HB3 LYS 62 HB1 LYS 62 54.750 4.054 -3.261
100 HG2 LYS 62 HG2 LYS 62 55.443 2.728 -5.018
101 HG3 LYS 62 HG1 LYS 62 53.691 2.514 -5.039
102 HD2 LYS 62 HD2 LYS 62 53.570 4.305 -6.776
103 HD3 LYS 62 HD1 LYS 62 55.334 4.305 -6.826
104 HE2 LYS 62 HE2 LYS 62 54.744 1.648 -7.106
105 HE3 LYS 62 HE1 LYS 62 53.414 2.415 -7.971
106 HZ1 LYS 62 HZ1 LYS 62 56.306 2.560 -8.527
107 HZ2 LYS 62 HZ2 LYS 62 55.267 3.774 -9.081
108 HZ3 LYS 62 HZ3 LYS 62 55.038 2.175 -9.579
109 H ILE 63 HN ILE 63 51.074 3.201 -4.722
110 HA ILE 63 HA ILE 63 50.732 2.073 -2.018
111 HB ILE 63 HB ILE 63 48.646 2.139 -4.198
112 HG12 ILE 63 HG12 ILE 63 48.665 3.888 -1.744
113 HG13 ILE 63 HG11 ILE 63 49.404 4.411 -3.254
114 HG21 ILE 63 HG21 ILE 63 48.562 1.416 -1.278
115 HG22 ILE 63 HG22 ILE 63 48.241 0.368 -2.660
116 HG23 ILE 63 HG23 ILE 63 47.123 1.673 -2.264
117 HD11 ILE 63 HD11 ILE 63 46.537 3.989 -2.591
118 HD12 ILE 63 HD12 ILE 63 47.076 3.788 -4.259
119 HD13 ILE 63 HD13 ILE 63 47.319 5.327 -3.433
120 H PHE 64 HN PHE 64 50.082 -0.183 -1.912
121 HA PHE 64 HA PHE 64 50.605 -1.811 -4.268
122 HB2 PHE 64 HB2 PHE 64 52.122 -2.234 -1.685
123 HB3 PHE 64 HB1 PHE 64 52.240 -3.221 -3.137
124 HD1 PHE 64 HD1 PHE 64 52.875 0.172 -1.798
125 HD2 PHE 64 HD2 PHE 64 53.741 -2.675 -4.840
126 HE1 PHE 64 HE1 PHE 64 54.704 1.603 -2.611
127 HE2 PHE 64 HE2 PHE 64 55.571 -1.249 -5.659
128 HZ PHE 64 HZ PHE 64 56.055 0.891 -4.542
129 HA PRO 65 HA PRO 65 47.142 -4.108 -2.744
130 HB2 PRO 65 HB2 PRO 65 48.100 -6.642 -3.511
131 HB3 PRO 65 HB1 PRO 65 47.064 -5.577 -4.462
132 HG2 PRO 65 HG2 PRO 65 49.999 -5.997 -4.616
133 HG3 PRO 65 HG1 PRO 65 48.848 -5.598 -5.903
134 HD2 PRO 65 HD2 PRO 65 50.541 -3.767 -4.897
135 HD3 PRO 65 HD1 PRO 65 48.899 -3.336 -5.418
136 H ALA 66 HN ALA 66 46.589 -5.635 -1.112
137 HA ALA 66 HA ALA 66 48.227 -5.578 1.149
138 HB1 ALA 66 HB1 ALA 66 46.591 -7.580 1.795
139 HB2 ALA 66 HB2 ALA 66 45.712 -6.948 0.402
140 HB3 ALA 66 HB3 ALA 66 46.071 -5.895 1.771
141 H THR 67 HN THR 67 47.969 -7.935 -1.424
142 HA THR 67 HA THR 67 49.450 -9.968 -0.041
143 HB THR 67 HB THR 67 49.585 -10.771 -2.598
144 HG1 THR 67 HG1 THR 67 47.677 -10.050 -3.645
145 HG21 THR 67 HG21 THR 67 46.855 -10.973 -1.500
146 HG22 THR 67 HG22 THR 67 48.167 -11.604 -0.504
147 HG23 THR 67 HG23 THR 67 47.924 -12.222 -2.138
148 H GLU 68 HN GLU 68 50.283 -7.122 -1.678
149 HA GLU 68 HA GLU 68 52.927 -8.120 -2.389
150 HB2 GLU 68 HB2 GLU 68 51.284 -5.782 -3.206
151 HB3 GLU 68 HB1 GLU 68 53.032 -5.596 -3.239
152 HG2 GLU 68 HG2 GLU 68 53.031 -7.781 -4.589
153 HG3 GLU 68 HG1 GLU 68 51.312 -7.464 -4.820
154 H LYS 69 HN LYS 69 52.246 -7.849 0.374
155 HA LYS 69 HA LYS 69 53.099 -5.486 1.571
156 HB2 LYS 69 HB2 LYS 69 53.428 -6.777 3.586
157 HB3 LYS 69 HB1 LYS 69 51.989 -7.359 2.761
158 HG2 LYS 69 HG2 LYS 69 52.813 -9.407 2.885
159 HG3 LYS 69 HG1 LYS 69 54.097 -8.915 1.780
160 HD2 LYS 69 HD2 LYS 69 54.935 -7.927 4.219
161 HD3 LYS 69 HD1 LYS 69 54.201 -9.476 4.636
162 HE2 LYS 69 HE2 LYS 69 56.174 -9.202 2.388
163 HE3 LYS 69 HE1 LYS 69 56.690 -9.464 4.053
164 HZ1 LYS 69 HZ1 LYS 69 54.896 -11.392 3.820
165 HZ2 LYS 69 HZ2 LYS 69 56.525 -11.607 3.418
166 HZ3 LYS 69 HZ3 LYS 69 55.389 -11.295 2.203
167 H GLN 70 HN GLN 70 54.913 -8.016 0.051
168 HA GLN 70 HA GLN 70 57.426 -7.534 1.238
169 HB2 GLN 70 HB2 GLN 70 56.364 -9.210 -0.808
170 HB3 GLN 70 HB1 GLN 70 57.785 -8.399 -1.452
171 HG2 GLN 70 HG2 GLN 70 57.680 -10.005 1.092
172 HG3 GLN 70 HG1 GLN 70 58.337 -10.552 -0.450
173 HE21 GLN 70 HE21 GLN 70 59.776 -8.463 -1.316
174 HE22 GLN 70 HE22 GLN 70 61.060 -8.101 -0.218
175 H ILE 71 HN ILE 71 56.190 -6.536 -1.938
176 HA ILE 71 HA ILE 71 58.329 -4.832 -2.572
177 HB ILE 71 HB ILE 71 55.480 -4.555 -3.534
178 HG12 ILE 71 HG12 ILE 71 56.825 -5.867 -5.517
179 HG13 ILE 71 HG11 ILE 71 57.560 -6.570 -4.079
180 HG21 ILE 71 HG21 ILE 71 57.737 -3.957 -5.317
181 HG22 ILE 71 HG22 ILE 71 57.544 -2.856 -3.953
182 HG23 ILE 71 HG23 ILE 71 56.213 -3.101 -5.084
183 HD11 ILE 71 HD11 ILE 71 55.338 -7.516 -5.233
184 HD12 ILE 71 HD12 ILE 71 54.624 -6.400 -4.070
185 HD13 ILE 71 HD13 ILE 71 55.693 -7.686 -3.514
186 H PHE 72 HN PHE 72 55.382 -4.315 -0.750
187 HA PHE 72 HA PHE 72 55.446 -1.496 -0.689
188 HB2 PHE 72 HB2 PHE 72 53.432 -2.696 -0.071
189 HB3 PHE 72 HB1 PHE 72 54.267 -3.481 1.265
190 HD1 PHE 72 HD2 PHE 72 53.641 -0.011 0.030
191 HD2 PHE 72 HD1 PHE 72 53.837 -2.660 3.355
192 HE1 PHE 72 HE2 PHE 72 52.963 1.821 1.525
193 HE2 PHE 72 HE1 PHE 72 53.158 -0.833 4.856
194 HZ PHE 72 HZ PHE 72 52.720 1.412 3.942
195 H GLU 73 HN GLU 73 56.957 -3.963 1.306
196 HA GLU 73 HA GLU 73 57.941 -2.140 3.273
197 HB2 GLU 73 HB2 GLU 73 58.592 -5.006 2.595
198 HB3 GLU 73 HB1 GLU 73 59.436 -4.127 3.864
199 HG2 GLU 73 HG2 GLU 73 56.467 -4.607 3.763
200 HG3 GLU 73 HG1 GLU 73 57.620 -5.529 4.727
201 H ASP 74 HN ASP 74 59.100 -3.489 0.268
202 HA ASP 74 HA ASP 74 61.790 -2.643 0.556
203 HB2 ASP 74 HB2 ASP 74 60.111 -3.701 -1.663
204 HB3 ASP 74 HB1 ASP 74 61.594 -2.853 -2.095
205 H HIS 75 HN HIS 75 58.977 -1.321 -1.126
206 HA HIS 75 HA HIS 75 60.169 0.914 -2.271
207 HB2 HIS 75 HB2 HIS 75 57.907 0.238 -2.854
208 HB3 HIS 75 HB1 HIS 75 57.355 0.582 -1.217
209 HD1 HIS 75 HD1 HIS 75 57.563 2.100 -4.493
210 HD2 HIS 75 HD2 HIS 75 57.679 3.450 -0.560
211 HE1 HIS 75 HE1 HIS 75 57.065 4.581 -4.571
212 H VAL 76 HN VAL 76 58.437 0.690 0.819
213 HA VAL 76 HA VAL 76 58.981 3.297 1.705
214 HB VAL 76 HB VAL 76 58.613 0.816 3.399
215 HG11 VAL 76 HG11 VAL 76 57.618 3.345 4.446
216 HG12 VAL 76 HG12 VAL 76 59.365 3.343 4.205
217 HG13 VAL 76 HG13 VAL 76 58.613 2.112 5.220
218 HG21 VAL 76 HG21 VAL 76 56.827 1.562 1.614
219 HG22 VAL 76 HG22 VAL 76 56.416 2.748 2.852
220 HG23 VAL 76 HG23 VAL 76 56.341 1.025 3.221
221 H PHE 77 HN PHE 77 60.790 0.309 1.853
222 HA PHE 77 HA PHE 77 62.785 1.017 3.672
223 HB2 PHE 77 HB2 PHE 77 62.330 -1.087 1.773
224 HB3 PHE 77 HB1 PHE 77 63.994 -0.534 1.624
225 HD1 PHE 77 HD1 PHE 77 61.549 -1.350 4.327
226 HD2 PHE 77 HD2 PHE 77 65.556 -1.592 2.915
227 HE1 PHE 77 HE1 PHE 77 62.163 -2.671 6.310
228 HE2 PHE 77 HE2 PHE 77 66.178 -2.915 4.895
229 HZ PHE 77 HZ PHE 77 64.480 -3.457 6.595
230 H CYS 78 HN CYS 78 62.344 1.793 0.284
231 HA CYS 78 HA CYS 78 64.928 2.842 -0.151
232 HB2 CYS 78 HB2 CYS 78 62.453 2.657 -1.630
233 HB3 CYS 78 HB1 CYS 78 63.160 4.259 -1.820
234 HG CYS 78 HG CYS 78 64.444 1.618 -2.798
235 H HIS 79 HN HIS 79 61.871 4.338 0.782
236 HA HIS 79 HA HIS 79 62.881 6.970 0.995
237 HB2 HIS 79 HB2 HIS 79 60.568 5.605 2.384
238 HB3 HIS 79 HB1 HIS 79 60.921 7.321 2.547
239 HD1 HIS 79 HD1 HIS 79 60.728 8.739 0.235
240 HD2 HIS 79 HD2 HIS 79 59.091 4.923 0.243
241 HE1 HIS 79 HE1 HIS 79 59.152 8.640 -1.742
242 H SER 80 HN SER 80 63.320 4.135 2.834
243 HA SER 80 HA SER 80 63.912 5.394 5.344
244 HB2 SER 80 HB2 SER 80 63.169 2.933 4.855
245 HB3 SER 80 HB1 SER 80 64.894 2.659 4.614
246 HG SER 80 HG SER 80 63.841 3.900 6.931
247 H LEU 81 HN LEU 81 65.611 4.970 2.435
248 HA LEU 81 HA LEU 81 68.236 4.855 3.562
249 HB2 LEU 81 HB2 LEU 81 67.394 5.569 0.761
250 HB3 LEU 81 HB1 LEU 81 69.014 5.127 1.279
251 HG LEU 81 HG LEU 81 66.801 3.217 1.801
252 HD11 LEU 81 HD11 LEU 81 68.175 3.390 -0.878
253 HD12 LEU 81 HD12 LEU 81 66.553 4.012 -0.569
254 HD13 LEU 81 HD13 LEU 81 66.885 2.289 -0.395
255 HD21 LEU 81 HD21 LEU 81 68.753 2.373 2.640
256 HD22 LEU 81 HD22 LEU 81 69.751 3.158 1.414
257 HD23 LEU 81 HD23 LEU 81 68.819 1.718 1.003
Start of MODEL 6
1 H1 GLN 49 HT1 GLN 49 33.916 1.009 2.950
2 H2 GLN 49 HT2 GLN 49 33.296 1.557 4.454
3 H3 GLN 49 HT3 GLN 49 34.664 0.523 4.414
4 HA GLN 49 HA GLN 49 34.584 3.211 3.234
5 HB2 GLN 49 HB2 GLN 49 35.109 2.226 5.987
6 HB3 GLN 49 HB1 GLN 49 36.188 3.469 5.367
7 HG2 GLN 49 HG2 GLN 49 34.376 4.980 5.034
8 HG3 GLN 49 HG1 GLN 49 33.192 3.722 5.386
9 HE21 GLN 49 HE21 GLN 49 34.798 6.321 6.624
10 HE22 GLN 49 HE22 GLN 49 34.602 6.000 8.310
11 H MET 50 HN MET 50 36.946 1.274 5.014
12 HA MET 50 HA MET 50 38.740 1.464 2.686
13 HB2 MET 50 HB2 MET 50 39.211 1.665 5.623
14 HB3 MET 50 HB1 MET 50 40.478 0.953 4.634
15 HG2 MET 50 HG2 MET 50 40.553 2.969 3.266
16 HG3 MET 50 HG1 MET 50 39.269 3.682 4.239
17 HE1 MET 50 HE1 MET 50 40.507 5.661 4.444
18 HE2 MET 50 HE2 MET 50 41.836 5.973 5.561
19 HE3 MET 50 HE3 MET 50 40.228 5.602 6.184
20 H GLN 51 HN GLN 51 40.149 -0.327 2.260
21 HA GLN 51 HA GLN 51 39.296 -2.874 3.445
22 HB2 GLN 51 HB2 GLN 51 38.697 -2.035 0.828
23 HB3 GLN 51 HB1 GLN 51 39.987 -3.217 0.665
24 HG2 GLN 51 HG2 GLN 51 38.234 -4.352 2.492
25 HG3 GLN 51 HG1 GLN 51 37.195 -3.601 1.282
26 HE21 GLN 51 HE21 GLN 51 40.243 -5.426 1.330
27 HE22 GLN 51 HE22 GLN 51 39.809 -6.512 0.058
28 HA PRO 52 HA PRO 52 43.713 -3.371 3.683
29 HB2 PRO 52 HB2 PRO 52 43.796 -5.812 4.774
30 HB3 PRO 52 HB1 PRO 52 43.201 -4.418 5.685
31 HG2 PRO 52 HG2 PRO 52 41.661 -6.577 4.302
32 HG3 PRO 52 HG1 PRO 52 41.365 -5.826 5.879
33 HD2 PRO 52 HD2 PRO 52 40.042 -5.149 3.558
34 HD3 PRO 52 HD1 PRO 52 40.224 -4.074 4.958
35 H LEU 53 HN LEU 53 42.990 -3.602 1.093
36 HA LEU 53 HA LEU 53 44.110 -6.180 0.235
37 HB2 LEU 53 HB2 LEU 53 41.682 -5.347 -0.416
38 HB3 LEU 53 HB1 LEU 53 42.568 -4.456 -1.641
39 HG LEU 53 HG LEU 53 43.630 -6.916 -1.994
40 HD11 LEU 53 HD11 LEU 53 40.743 -7.493 -1.413
41 HD12 LEU 53 HD12 LEU 53 42.010 -7.745 -0.213
42 HD13 LEU 53 HD13 LEU 53 42.051 -8.629 -1.739
43 HD21 LEU 53 HD21 LEU 53 41.174 -5.672 -3.201
44 HD22 LEU 53 HD22 LEU 53 41.895 -7.156 -3.825
45 HD23 LEU 53 HD23 LEU 53 42.826 -5.657 -3.819
46 H CYS 54 HN CYS 54 45.542 -3.704 0.999
47 HA CYS 54 HA CYS 54 47.530 -3.711 -0.954
48 HB2 CYS 54 HB2 CYS 54 47.172 -1.320 -1.799
49 HB3 CYS 54 HB1 CYS 54 46.141 -2.573 -2.483
50 HG CYS 54 HG CYS 54 44.277 -1.134 -1.837
51 H PHE 55 HN PHE 55 48.874 -1.499 -0.745
52 HA PHE 55 HA PHE 55 48.797 -0.516 2.000
53 HB2 PHE 55 HB2 PHE 55 51.374 -1.572 0.841
54 HB3 PHE 55 HB1 PHE 55 51.052 -1.081 2.501
55 HD1 PHE 55 HD2 PHE 55 49.033 -2.450 3.613
56 HD2 PHE 55 HD1 PHE 55 51.497 -3.816 0.423
57 HE1 PHE 55 HE2 PHE 55 48.491 -4.778 4.195
58 HE2 PHE 55 HE1 PHE 55 50.958 -6.146 1.000
59 HZ PHE 55 HZ PHE 55 49.454 -6.630 2.889
60 H ASN 56 HN ASN 56 48.770 1.614 1.803
61 HA ASN 56 HA ASN 56 49.975 2.898 -0.510
62 HB2 ASN 56 HB2 ASN 56 48.453 4.161 1.778
63 HB3 ASN 56 HB1 ASN 56 48.839 4.906 0.229
64 HD21 ASN 56 HD21 ASN 56 46.803 5.269 -0.474
65 HD22 ASN 56 HD22 ASN 56 45.663 4.020 -0.824
66 H CYS 57 HN CYS 57 51.798 4.098 -0.495
67 HA CYS 57 HA CYS 57 53.542 3.901 1.761
68 HB2 CYS 57 HB2 CYS 57 54.428 3.839 -0.521
69 HB3 CYS 57 HB1 CYS 57 53.841 5.475 -0.807
70 HA PRO 58 HA PRO 58 51.848 7.655 3.591
71 HB2 PRO 58 HB2 PRO 58 53.200 7.485 5.927
72 HB3 PRO 58 HB1 PRO 58 51.775 6.498 5.579
73 HG2 PRO 58 HG2 PRO 58 54.673 5.769 5.396
74 HG3 PRO 58 HG1 PRO 58 53.323 4.830 6.062
75 HD2 PRO 58 HD2 PRO 58 54.332 4.395 3.581
76 HD3 PRO 58 HD1 PRO 58 52.624 4.127 3.984
77 H ILE 59 HN ILE 59 55.021 6.968 2.579
78 HA ILE 59 HA ILE 59 56.142 9.456 3.557
79 HB ILE 59 HB ILE 59 57.415 7.510 1.640
80 HG12 ILE 59 HG12 ILE 59 58.588 7.206 4.154
81 HG13 ILE 59 HG11 ILE 59 56.860 7.278 4.487
82 HG21 ILE 59 HG21 ILE 59 58.672 9.441 1.525
83 HG22 ILE 59 HG22 ILE 59 59.482 8.567 2.824
84 HG23 ILE 59 HG23 ILE 59 58.359 9.871 3.207
85 HD11 ILE 59 HD11 ILE 59 57.851 4.992 4.108
86 HD12 ILE 59 HD12 ILE 59 58.027 5.451 2.416
87 HD13 ILE 59 HD13 ILE 59 56.425 5.395 3.151
88 H CYS 60 HN CYS 60 55.544 8.018 0.309
89 HA CYS 60 HA CYS 60 55.496 10.786 -0.693
90 HB2 CYS 60 HB2 CYS 60 56.300 10.058 -2.812
91 HB3 CYS 60 HB1 CYS 60 57.349 9.367 -1.582
92 H ASP 61 HN ASP 61 54.009 7.602 -1.219
93 HA ASP 61 HA ASP 61 51.416 8.088 -1.070
94 HB2 ASP 61 HB2 ASP 61 50.668 8.692 -3.434
95 HB3 ASP 61 HB1 ASP 61 51.345 9.999 -2.472
96 H LYS 62 HN LYS 62 53.767 6.891 -3.376
97 HA LYS 62 HA LYS 62 52.644 5.072 -4.916
98 HB2 LYS 62 HB2 LYS 62 55.181 5.245 -3.587
99 HB3 LYS 62 HB1 LYS 62 54.689 3.560 -3.693
100 HG2 LYS 62 HG2 LYS 62 54.317 5.095 -6.161
101 HG3 LYS 62 HG1 LYS 62 55.994 4.922 -5.639
102 HD2 LYS 62 HD2 LYS 62 55.405 2.425 -5.346
103 HD3 LYS 62 HD1 LYS 62 54.012 2.793 -6.364
104 HE2 LYS 62 HE2 LYS 62 55.801 1.975 -7.749
105 HE3 LYS 62 HE1 LYS 62 55.556 3.690 -8.078
106 HZ1 LYS 62 HZ1 LYS 62 57.922 2.986 -7.856
107 HZ2 LYS 62 HZ2 LYS 62 57.629 2.667 -6.221
108 HZ3 LYS 62 HZ3 LYS 62 57.467 4.242 -6.816
109 H ILE 63 HN ILE 63 51.291 3.424 -4.824
110 HA ILE 63 HA ILE 63 50.926 2.029 -2.251
111 HB ILE 63 HB ILE 63 48.785 2.448 -4.337
112 HG12 ILE 63 HG12 ILE 63 47.941 3.934 -2.259
113 HG13 ILE 63 HG11 ILE 63 49.680 4.141 -2.068
114 HG21 ILE 63 HG21 ILE 63 47.300 1.811 -2.416
115 HG22 ILE 63 HG22 ILE 63 48.758 1.363 -1.531
116 HG23 ILE 63 HG23 ILE 63 48.338 0.519 -3.021
117 HD11 ILE 63 HD11 ILE 63 47.965 4.898 -4.408
118 HD12 ILE 63 HD12 ILE 63 49.725 4.822 -4.502
119 HD13 ILE 63 HD13 ILE 63 48.949 5.942 -3.382
120 H PHE 64 HN PHE 64 50.161 -0.204 -2.427
121 HA PHE 64 HA PHE 64 50.538 -1.522 -4.990
122 HB2 PHE 64 HB2 PHE 64 52.066 -2.718 -2.725
123 HB3 PHE 64 HB1 PHE 64 52.371 -2.812 -4.456
124 HD1 PHE 64 HD2 PHE 64 52.476 -0.447 -1.591
125 HD2 PHE 64 HD1 PHE 64 54.018 -1.497 -5.416
126 HE1 PHE 64 HE2 PHE 64 54.190 1.304 -1.376
127 HE2 PHE 64 HE1 PHE 64 55.736 0.252 -5.207
128 HZ PHE 64 HZ PHE 64 55.822 1.654 -3.184
129 HA PRO 65 HA PRO 65 47.375 -4.216 -3.537
130 HB2 PRO 65 HB2 PRO 65 48.198 -6.654 -4.483
131 HB3 PRO 65 HB1 PRO 65 47.443 -5.412 -5.485
132 HG2 PRO 65 HG2 PRO 65 50.338 -6.084 -5.160
133 HG3 PRO 65 HG1 PRO 65 49.440 -5.680 -6.635
134 HD2 PRO 65 HD2 PRO 65 51.008 -3.884 -5.387
135 HD3 PRO 65 HD1 PRO 65 49.504 -3.408 -6.204
136 H ALA 66 HN ALA 66 46.869 -5.839 -1.998
137 HA ALA 66 HA ALA 66 48.505 -5.927 0.252
138 HB1 ALA 66 HB1 ALA 66 46.233 -6.317 0.619
139 HB2 ALA 66 HB2 ALA 66 46.988 -7.882 0.919
140 HB3 ALA 66 HB3 ALA 66 46.157 -7.582 -0.608
141 H THR 67 HN THR 67 48.452 -7.973 -2.558
142 HA THR 67 HA THR 67 49.952 -10.110 -1.359
143 HB THR 67 HB THR 67 50.256 -10.526 -4.014
144 HG1 THR 67 HG1 THR 67 47.743 -9.252 -3.857
145 HG21 THR 67 HG21 THR 67 47.667 -11.083 -2.591
146 HG22 THR 67 HG22 THR 67 49.138 -12.039 -2.405
147 HG23 THR 67 HG23 THR 67 48.339 -11.948 -3.974
148 H GLU 68 HN GLU 68 50.709 -7.057 -2.658
149 HA GLU 68 HA GLU 68 53.446 -7.832 -3.292
150 HB2 GLU 68 HB2 GLU 68 51.745 -5.457 -3.903
151 HB3 GLU 68 HB1 GLU 68 53.492 -5.258 -3.885
152 HG2 GLU 68 HG2 GLU 68 53.704 -7.042 -5.551
153 HG3 GLU 68 HG1 GLU 68 51.949 -7.206 -5.583
154 H LYS 69 HN LYS 69 52.541 -7.872 -0.553
155 HA LYS 69 HA LYS 69 53.229 -5.617 0.926
156 HB2 LYS 69 HB2 LYS 69 53.728 -7.294 2.773
157 HB3 LYS 69 HB1 LYS 69 52.120 -7.363 2.067
158 HG2 LYS 69 HG2 LYS 69 52.429 -9.426 1.246
159 HG3 LYS 69 HG1 LYS 69 54.101 -9.106 0.785
160 HD2 LYS 69 HD2 LYS 69 54.831 -9.417 3.068
161 HD3 LYS 69 HD1 LYS 69 53.162 -9.599 3.610
162 HE2 LYS 69 HE2 LYS 69 52.922 -11.663 2.477
163 HE3 LYS 69 HE1 LYS 69 54.416 -11.422 1.574
164 HZ1 LYS 69 HZ1 LYS 69 55.670 -11.664 3.600
165 HZ2 LYS 69 HZ2 LYS 69 54.667 -13.011 3.401
166 HZ3 LYS 69 HZ3 LYS 69 54.253 -11.806 4.514
167 H GLN 70 HN GLN 70 55.235 -7.941 -0.682
168 HA GLN 70 HA GLN 70 57.632 -7.471 0.752
169 HB2 GLN 70 HB2 GLN 70 56.802 -8.973 -1.579
170 HB3 GLN 70 HB1 GLN 70 58.351 -8.190 -1.857
171 HG2 GLN 70 HG2 GLN 70 57.895 -9.723 0.661
172 HG3 GLN 70 HG1 GLN 70 58.254 -10.576 -0.839
173 HE21 GLN 70 HE21 GLN 70 59.549 -9.075 1.837
174 HE22 GLN 70 HE22 GLN 70 61.179 -8.907 1.290
175 H ILE 71 HN ILE 71 56.265 -6.071 -2.186
176 HA ILE 71 HA ILE 71 58.493 -4.365 -2.706
177 HB ILE 71 HB ILE 71 55.666 -4.022 -3.707
178 HG12 ILE 71 HG12 ILE 71 57.935 -5.598 -4.947
179 HG13 ILE 71 HG11 ILE 71 56.532 -6.304 -4.151
180 HG21 ILE 71 HG21 ILE 71 56.594 -2.140 -4.503
181 HG22 ILE 71 HG22 ILE 71 57.332 -3.211 -5.694
182 HG23 ILE 71 HG23 ILE 71 58.239 -2.727 -4.260
183 HD11 ILE 71 HD11 ILE 71 56.229 -4.454 -6.483
184 HD12 ILE 71 HD12 ILE 71 55.089 -5.642 -5.851
185 HD13 ILE 71 HD13 ILE 71 56.539 -6.177 -6.699
186 H PHE 72 HN PHE 72 55.533 -4.084 -0.871
187 HA PHE 72 HA PHE 72 55.552 -1.266 -0.572
188 HB2 PHE 72 HB2 PHE 72 53.528 -2.560 -0.169
189 HB3 PHE 72 HB1 PHE 72 54.310 -3.417 1.156
190 HD1 PHE 72 HD1 PHE 72 53.620 0.099 0.105
191 HD2 PHE 72 HD2 PHE 72 53.810 -2.726 3.281
192 HE1 PHE 72 HE1 PHE 72 52.825 1.819 1.676
193 HE2 PHE 72 HE2 PHE 72 53.014 -1.013 4.857
194 HZ PHE 72 HZ PHE 72 52.520 1.263 4.055
195 H GLU 73 HN GLU 73 56.966 -3.913 1.263
196 HA GLU 73 HA GLU 73 57.870 -2.263 3.418
197 HB2 GLU 73 HB2 GLU 73 58.594 -5.069 2.562
198 HB3 GLU 73 HB1 GLU 73 59.251 -4.294 3.998
199 HG2 GLU 73 HG2 GLU 73 56.332 -4.822 3.479
200 HG3 GLU 73 HG1 GLU 73 57.384 -5.789 4.512
201 H ASP 74 HN ASP 74 59.205 -3.497 0.421
202 HA ASP 74 HA ASP 74 61.866 -2.649 0.916
203 HB2 ASP 74 HB2 ASP 74 61.323 -4.404 -0.731
204 HB3 ASP 74 HB1 ASP 74 60.497 -3.206 -1.722
205 H HIS 75 HN HIS 75 59.145 -1.282 -0.869
206 HA HIS 75 HA HIS 75 60.382 0.976 -1.907
207 HB2 HIS 75 HB2 HIS 75 58.138 0.320 -2.584
208 HB3 HIS 75 HB1 HIS 75 57.530 0.641 -0.961
209 HD1 HIS 75 HD1 HIS 75 57.866 2.213 -4.203
210 HD2 HIS 75 HD2 HIS 75 57.849 3.491 -0.244
211 HE1 HIS 75 HE1 HIS 75 57.403 4.702 -4.254
212 H VAL 76 HN VAL 76 58.542 0.681 1.115
213 HA VAL 76 HA VAL 76 59.039 3.259 2.091
214 HB VAL 76 HB VAL 76 58.671 0.723 3.701
215 HG11 VAL 76 HG11 VAL 76 58.744 1.962 5.546
216 HG12 VAL 76 HG12 VAL 76 57.589 3.117 4.881
217 HG13 VAL 76 HG13 VAL 76 59.313 3.307 4.558
218 HG21 VAL 76 HG21 VAL 76 56.404 0.907 3.476
219 HG22 VAL 76 HG22 VAL 76 56.911 1.527 1.905
220 HG23 VAL 76 HG23 VAL 76 56.460 2.646 3.190
221 H PHE 77 HN PHE 77 60.889 0.294 2.209
222 HA PHE 77 HA PHE 77 62.835 0.985 4.088
223 HB2 PHE 77 HB2 PHE 77 62.409 -1.243 2.719
224 HB3 PHE 77 HB1 PHE 77 63.624 -0.555 1.648
225 HD1 PHE 77 HD1 PHE 77 65.768 0.366 2.929
226 HD2 PHE 77 HD2 PHE 77 63.124 -2.630 4.394
227 HE1 PHE 77 HE1 PHE 77 67.545 -0.475 4.408
228 HE2 PHE 77 HE2 PHE 77 64.896 -3.476 5.876
229 HZ PHE 77 HZ PHE 77 67.110 -2.397 5.885
230 H CYS 78 HN CYS 78 62.470 1.811 0.702
231 HA CYS 78 HA CYS 78 65.033 2.921 0.339
232 HB2 CYS 78 HB2 CYS 78 62.440 3.594 -1.066
233 HB3 CYS 78 HB1 CYS 78 64.038 4.091 -1.611
234 HG CYS 78 HG CYS 78 62.973 1.803 -2.727
235 H HIS 79 HN HIS 79 61.941 4.364 1.253
236 HA HIS 79 HA HIS 79 62.919 7.001 1.547
237 HB2 HIS 79 HB2 HIS 79 60.592 5.572 2.850
238 HB3 HIS 79 HB1 HIS 79 60.928 7.284 3.084
239 HD1 HIS 79 HD1 HIS 79 60.756 8.792 0.834
240 HD2 HIS 79 HD2 HIS 79 59.182 4.954 0.645
241 HE1 HIS 79 HE1 HIS 79 59.228 8.751 -1.184
242 H SER 80 HN SER 80 63.352 4.128 3.323
243 HA SER 80 HA SER 80 63.887 5.328 5.873
244 HB2 SER 80 HB2 SER 80 63.536 2.701 4.872
245 HB3 SER 80 HB1 SER 80 65.129 2.759 5.626
246 HG SER 80 HG SER 80 64.234 3.140 7.534
247 H LEU 81 HN LEU 81 65.643 4.994 2.986
248 HA LEU 81 HA LEU 81 68.249 4.879 4.156
249 HB2 LEU 81 HB2 LEU 81 67.447 5.654 1.359
250 HB3 LEU 81 HB1 LEU 81 69.063 5.220 1.895
251 HG LEU 81 HG LEU 81 66.867 3.269 2.330
252 HD11 LEU 81 HD11 LEU 81 68.283 3.518 -0.320
253 HD12 LEU 81 HD12 LEU 81 66.655 4.130 -0.026
254 HD13 LEU 81 HD13 LEU 81 66.986 2.404 0.115
255 HD21 LEU 81 HD21 LEU 81 69.529 2.534 1.272
256 HD22 LEU 81 HD22 LEU 81 68.547 1.764 2.519
257 HD23 LEU 81 HD23 LEU 81 69.482 3.210 2.901
Start of MODEL 7
1 H1 GLN 49 HT1 GLN 49 35.179 2.132 5.456
2 H2 GLN 49 HT2 GLN 49 33.519 1.714 5.315
3 H3 GLN 49 HT3 GLN 49 34.594 1.420 4.009
4 HA GLN 49 HA GLN 49 34.384 0.056 6.590
5 HB2 GLN 49 HB2 GLN 49 34.441 -0.799 3.689
6 HB3 GLN 49 HB1 GLN 49 34.379 -1.911 5.050
7 HG2 GLN 49 HG2 GLN 49 32.208 -1.351 5.583
8 HG3 GLN 49 HG1 GLN 49 32.304 0.213 4.775
9 HE21 GLN 49 HE21 GLN 49 32.516 -3.252 4.044
10 HE22 GLN 49 HE22 GLN 49 31.650 -3.165 2.552
11 H MET 50 HN MET 50 36.051 -1.386 7.190
12 HA MET 50 HA MET 50 38.697 -0.453 6.435
13 HB2 MET 50 HB2 MET 50 37.591 -2.146 8.639
14 HB3 MET 50 HB1 MET 50 39.302 -2.259 8.251
15 HG2 MET 50 HG2 MET 50 38.337 0.482 8.514
16 HG3 MET 50 HG1 MET 50 38.172 -0.478 9.983
17 HE1 MET 50 HE1 MET 50 41.891 1.442 8.361
18 HE2 MET 50 HE2 MET 50 40.284 2.105 8.653
19 HE3 MET 50 HE3 MET 50 40.547 0.994 7.310
20 H GLN 51 HN GLN 51 39.134 -1.271 4.422
21 HA GLN 51 HA GLN 51 39.524 -4.176 4.303
22 HB2 GLN 51 HB2 GLN 51 37.883 -2.491 2.480
23 HB3 GLN 51 HB1 GLN 51 38.855 -3.761 1.750
24 HG2 GLN 51 HG2 GLN 51 37.662 -5.072 3.830
25 HG3 GLN 51 HG1 GLN 51 36.409 -3.938 3.328
26 HE21 GLN 51 HE21 GLN 51 36.734 -3.792 0.657
27 HE22 GLN 51 HE22 GLN 51 36.456 -5.331 -0.075
28 HA PRO 52 HA PRO 52 43.379 -2.014 3.035
29 HB2 PRO 52 HB2 PRO 52 45.048 -3.920 4.011
30 HB3 PRO 52 HB1 PRO 52 44.376 -2.627 5.013
31 HG2 PRO 52 HG2 PRO 52 43.477 -5.470 4.731
32 HG3 PRO 52 HG1 PRO 52 43.642 -4.489 6.200
33 HD2 PRO 52 HD2 PRO 52 41.254 -4.917 4.999
34 HD3 PRO 52 HD1 PRO 52 41.633 -3.410 5.857
35 H LEU 53 HN LEU 53 42.418 -2.654 0.887
36 HA LEU 53 HA LEU 53 43.294 -5.198 -0.190
37 HB2 LEU 53 HB2 LEU 53 41.097 -4.061 -0.745
38 HB3 LEU 53 HB1 LEU 53 42.027 -2.914 -1.689
39 HG LEU 53 HG LEU 53 42.842 -4.765 -3.109
40 HD11 LEU 53 HD11 LEU 53 41.058 -6.400 -1.324
41 HD12 LEU 53 HD12 LEU 53 42.771 -6.634 -1.666
42 HD13 LEU 53 HD13 LEU 53 41.573 -6.939 -2.923
43 HD21 LEU 53 HD21 LEU 53 40.407 -5.383 -3.938
44 HD22 LEU 53 HD22 LEU 53 41.081 -3.767 -4.156
45 HD23 LEU 53 HD23 LEU 53 39.965 -4.086 -2.828
46 H CYS 54 HN CYS 54 44.967 -2.529 0.489
47 HA CYS 54 HA CYS 54 47.067 -3.124 -1.316
48 HB2 CYS 54 HB2 CYS 54 47.109 -1.052 -2.603
49 HB3 CYS 54 HB1 CYS 54 45.598 -1.911 -2.884
50 HG CYS 54 HG CYS 54 45.523 0.391 -0.833
51 H PHE 55 HN PHE 55 48.590 -0.931 -1.298
52 HA PHE 55 HA PHE 55 48.604 0.254 1.353
53 HB2 PHE 55 HB2 PHE 55 50.611 -1.750 0.400
54 HB3 PHE 55 HB1 PHE 55 51.150 -0.429 1.430
55 HD1 PHE 55 HD2 PHE 55 49.226 -0.060 3.429
56 HD2 PHE 55 HD1 PHE 55 50.375 -3.704 1.556
57 HE1 PHE 55 HE2 PHE 55 48.488 -1.309 5.415
58 HE2 PHE 55 HE1 PHE 55 49.640 -4.961 3.540
59 HZ PHE 55 HZ PHE 55 48.695 -3.762 5.474
60 H ASN 56 HN ASN 56 48.920 2.343 1.006
61 HA ASN 56 HA ASN 56 50.362 3.214 -1.379
62 HB2 ASN 56 HB2 ASN 56 48.831 4.881 0.627
63 HB3 ASN 56 HB1 ASN 56 49.416 5.405 -0.949
64 HD21 ASN 56 HD21 ASN 56 48.236 4.983 -2.733
65 HD22 ASN 56 HD22 ASN 56 46.706 4.181 -2.718
66 H CYS 57 HN CYS 57 52.292 4.209 -1.356
67 HA CYS 57 HA CYS 57 53.864 4.124 1.031
68 HB2 CYS 57 HB2 CYS 57 54.958 3.652 -1.047
69 HB3 CYS 57 HB1 CYS 57 54.409 5.165 -1.749
70 HA PRO 58 HA PRO 58 52.624 8.246 2.288
71 HB2 PRO 58 HB2 PRO 58 53.798 8.260 4.691
72 HB3 PRO 58 HB1 PRO 58 52.376 7.262 4.363
73 HG2 PRO 58 HG2 PRO 58 55.263 6.474 4.449
74 HG3 PRO 58 HG1 PRO 58 53.855 5.632 5.119
75 HD2 PRO 58 HD2 PRO 58 55.038 4.976 2.734
76 HD3 PRO 58 HD1 PRO 58 53.335 4.656 3.115
77 H ILE 59 HN ILE 59 55.409 7.514 0.910
78 HA ILE 59 HA ILE 59 56.779 9.951 1.825
79 HB ILE 59 HB ILE 59 58.030 7.577 0.439
80 HG12 ILE 59 HG12 ILE 59 59.031 7.987 3.078
81 HG13 ILE 59 HG11 ILE 59 57.275 7.940 3.173
82 HG21 ILE 59 HG21 ILE 59 60.117 8.796 1.435
83 HG22 ILE 59 HG22 ILE 59 59.058 10.206 1.410
84 HG23 ILE 59 HG23 ILE 59 59.413 9.342 -0.086
85 HD11 ILE 59 HD11 ILE 59 58.207 5.835 1.475
86 HD12 ILE 59 HD12 ILE 59 57.287 5.740 2.976
87 HD13 ILE 59 HD13 ILE 59 59.050 5.785 3.023
88 H CYS 60 HN CYS 60 56.299 7.948 -1.118
89 HA CYS 60 HA CYS 60 56.468 10.464 -2.655
90 HB2 CYS 60 HB2 CYS 60 57.364 9.283 -4.506
91 HB3 CYS 60 HB1 CYS 60 58.257 8.737 -3.092
92 H ASP 61 HN ASP 61 54.266 8.325 -1.518
93 HA ASP 61 HA ASP 61 52.012 8.225 -1.893
94 HB2 ASP 61 HB2 ASP 61 52.625 10.416 -3.387
95 HB3 ASP 61 HB1 ASP 61 52.021 9.323 -4.629
96 H LYS 62 HN LYS 62 54.243 6.435 -3.030
97 HA LYS 62 HA LYS 62 53.343 5.221 -5.379
98 HB2 LYS 62 HB2 LYS 62 55.488 4.857 -3.733
99 HB3 LYS 62 HB1 LYS 62 54.557 3.406 -3.402
100 HG2 LYS 62 HG2 LYS 62 56.053 2.847 -5.129
101 HG3 LYS 62 HG1 LYS 62 54.474 3.032 -5.894
102 HD2 LYS 62 HD2 LYS 62 55.231 5.469 -6.321
103 HD3 LYS 62 HD1 LYS 62 56.853 4.848 -6.007
104 HE2 LYS 62 HE2 LYS 62 56.481 4.775 -8.366
105 HE3 LYS 62 HE1 LYS 62 56.450 3.121 -7.758
106 HZ1 LYS 62 HZ1 LYS 62 54.227 2.921 -8.141
107 HZ2 LYS 62 HZ2 LYS 62 54.621 3.994 -9.389
108 HZ3 LYS 62 HZ3 LYS 62 53.915 4.575 -7.965
109 H ILE 63 HN ILE 63 52.603 2.836 -5.414
110 HA ILE 63 HA ILE 63 50.635 2.268 -3.323
111 HB ILE 63 HB ILE 63 49.923 2.160 -6.254
112 HG12 ILE 63 HG12 ILE 63 48.264 4.027 -5.117
113 HG13 ILE 63 HG11 ILE 63 49.787 4.348 -4.294
114 HG21 ILE 63 HG21 ILE 63 48.599 1.336 -3.746
115 HG22 ILE 63 HG22 ILE 63 48.467 0.671 -5.375
116 HG23 ILE 63 HG23 ILE 63 47.583 2.135 -4.946
117 HD11 ILE 63 HD11 ILE 63 49.074 5.429 -6.653
118 HD12 ILE 63 HD12 ILE 63 49.982 4.021 -7.203
119 HD13 ILE 63 HD13 ILE 63 50.744 5.197 -6.133
120 H PHE 64 HN PHE 64 50.146 0.095 -3.059
121 HA PHE 64 HA PHE 64 51.318 -1.864 -4.857
122 HB2 PHE 64 HB2 PHE 64 52.097 -1.657 -1.942
123 HB3 PHE 64 HB1 PHE 64 52.449 -3.044 -2.966
124 HD1 PHE 64 HD1 PHE 64 53.195 0.502 -2.352
125 HD2 PHE 64 HD2 PHE 64 54.228 -2.997 -4.543
126 HE1 PHE 64 HE1 PHE 64 55.291 1.574 -3.068
127 HE2 PHE 64 HE2 PHE 64 56.325 -1.931 -5.264
128 HZ PHE 64 HZ PHE 64 56.860 0.355 -4.524
129 HA PRO 65 HA PRO 65 47.485 -3.894 -3.878
130 HB2 PRO 65 HB2 PRO 65 48.994 -6.394 -4.403
131 HB3 PRO 65 HB1 PRO 65 47.499 -5.807 -5.138
132 HG2 PRO 65 HG2 PRO 65 49.816 -5.757 -6.469
133 HG3 PRO 65 HG1 PRO 65 48.611 -4.470 -6.656
134 HD2 PRO 65 HD2 PRO 65 51.177 -4.462 -5.133
135 HD3 PRO 65 HD1 PRO 65 50.395 -3.150 -6.038
136 H ALA 66 HN ALA 66 46.615 -5.411 -2.331
137 HA ALA 66 HA ALA 66 47.773 -5.258 0.199
138 HB1 ALA 66 HB1 ALA 66 45.555 -6.863 -0.979
139 HB2 ALA 66 HB2 ALA 66 45.513 -5.645 0.296
140 HB3 ALA 66 HB3 ALA 66 46.131 -7.260 0.640
141 H THR 67 HN THR 67 48.106 -7.655 -2.326
142 HA THR 67 HA THR 67 49.425 -9.588 -0.653
143 HB THR 67 HB THR 67 50.044 -10.383 -3.163
144 HG1 THR 67 HG1 THR 67 47.542 -9.121 -3.495
145 HG21 THR 67 HG21 THR 67 47.310 -10.748 -1.966
146 HG22 THR 67 HG22 THR 67 48.743 -11.675 -1.519
147 HG23 THR 67 HG23 THR 67 48.098 -11.783 -3.157
148 H GLU 68 HN GLU 68 50.377 -6.696 -2.061
149 HA GLU 68 HA GLU 68 53.138 -7.539 -2.450
150 HB2 GLU 68 HB2 GLU 68 51.485 -5.258 -3.346
151 HB3 GLU 68 HB1 GLU 68 53.177 -4.902 -3.027
152 HG2 GLU 68 HG2 GLU 68 53.120 -5.420 -5.289
153 HG3 GLU 68 HG1 GLU 68 53.696 -6.901 -4.526
154 H LYS 69 HN LYS 69 51.896 -7.368 0.224
155 HA LYS 69 HA LYS 69 52.675 -5.089 1.629
156 HB2 LYS 69 HB2 LYS 69 52.611 -6.509 3.636
157 HB3 LYS 69 HB1 LYS 69 51.217 -6.783 2.601
158 HG2 LYS 69 HG2 LYS 69 51.678 -8.947 2.818
159 HG3 LYS 69 HG1 LYS 69 53.010 -8.653 1.699
160 HD2 LYS 69 HD2 LYS 69 54.453 -9.237 3.287
161 HD3 LYS 69 HD1 LYS 69 53.890 -7.892 4.282
162 HE2 LYS 69 HE2 LYS 69 52.407 -10.497 4.190
163 HE3 LYS 69 HE1 LYS 69 53.786 -10.266 5.265
164 HZ1 LYS 69 HZ1 LYS 69 51.167 -8.912 5.306
165 HZ2 LYS 69 HZ2 LYS 69 52.519 -8.185 6.019
166 HZ3 LYS 69 HZ3 LYS 69 51.981 -9.692 6.567
167 H GLN 70 HN GLN 70 54.506 -7.859 0.555
168 HA GLN 70 HA GLN 70 56.807 -7.424 2.150
169 HB2 GLN 70 HB2 GLN 70 56.191 -9.015 -0.299
170 HB3 GLN 70 HB1 GLN 70 57.876 -8.751 0.127
171 HG2 GLN 70 HG2 GLN 70 56.466 -9.561 2.461
172 HG3 GLN 70 HG1 GLN 70 56.079 -10.673 1.151
173 HE21 GLN 70 HE21 GLN 70 58.649 -9.305 3.084
174 HE22 GLN 70 HE22 GLN 70 59.818 -10.533 2.750
175 H ILE 71 HN ILE 71 56.120 -6.667 -1.245
176 HA ILE 71 HA ILE 71 58.514 -5.227 -1.688
177 HB ILE 71 HB ILE 71 55.902 -4.933 -3.176
178 HG12 ILE 71 HG12 ILE 71 57.436 -6.512 -4.753
179 HG13 ILE 71 HG11 ILE 71 57.970 -7.051 -3.163
180 HG21 ILE 71 HG21 ILE 71 57.528 -4.377 -5.064
181 HG22 ILE 71 HG22 ILE 71 58.734 -4.161 -3.796
182 HG23 ILE 71 HG23 ILE 71 57.287 -3.154 -3.816
183 HD11 ILE 71 HD11 ILE 71 56.204 -8.376 -3.096
184 HD12 ILE 71 HD12 ILE 71 55.571 -7.683 -4.588
185 HD13 ILE 71 HD13 ILE 71 55.178 -6.943 -3.036
186 H PHE 72 HN PHE 72 55.370 -4.342 -0.446
187 HA PHE 72 HA PHE 72 55.616 -1.541 -0.706
188 HB2 PHE 72 HB2 PHE 72 53.450 -2.556 -0.303
189 HB3 PHE 72 HB1 PHE 72 54.004 -3.205 1.238
190 HD1 PHE 72 HD2 PHE 72 53.794 0.096 -0.494
191 HD2 PHE 72 HD1 PHE 72 53.336 -2.095 3.125
192 HE1 PHE 72 HE2 PHE 72 53.016 2.137 0.640
193 HE2 PHE 72 HE1 PHE 72 52.557 -0.059 4.265
194 HZ PHE 72 HZ PHE 72 52.396 2.062 3.021
195 H GLU 73 HN GLU 73 56.555 -3.807 1.819
196 HA GLU 73 HA GLU 73 57.360 -1.808 3.686
197 HB2 GLU 73 HB2 GLU 73 57.602 -4.769 3.470
198 HB3 GLU 73 HB1 GLU 73 58.730 -3.941 4.535
199 HG2 GLU 73 HG2 GLU 73 56.282 -2.845 5.193
200 HG3 GLU 73 HG1 GLU 73 55.923 -4.547 4.908
201 H ASP 74 HN ASP 74 58.890 -3.623 1.119
202 HA ASP 74 HA ASP 74 61.548 -2.868 1.747
203 HB2 ASP 74 HB2 ASP 74 60.444 -4.700 0.059
204 HB3 ASP 74 HB1 ASP 74 60.948 -3.453 -1.078
205 H HIS 75 HN HIS 75 59.133 -1.664 -0.531
206 HA HIS 75 HA HIS 75 60.631 0.299 -1.790
207 HB2 HIS 75 HB2 HIS 75 58.433 -0.302 -2.595
208 HB3 HIS 75 HB1 HIS 75 57.689 0.266 -1.103
209 HD1 HIS 75 HD1 HIS 75 58.502 1.370 -4.468
210 HD2 HIS 75 HD2 HIS 75 58.031 3.160 -0.743
211 HE1 HIS 75 HE1 HIS 75 58.145 3.838 -4.899
212 H VAL 76 HN VAL 76 58.509 0.667 1.036
213 HA VAL 76 HA VAL 76 59.137 3.342 1.593
214 HB VAL 76 HB VAL 76 58.364 1.158 3.541
215 HG11 VAL 76 HG11 VAL 76 58.845 2.704 5.088
216 HG12 VAL 76 HG12 VAL 76 57.381 3.516 4.534
217 HG13 VAL 76 HG13 VAL 76 58.951 3.998 3.894
218 HG21 VAL 76 HG21 VAL 76 56.175 2.786 3.145
219 HG22 VAL 76 HG22 VAL 76 56.426 1.193 2.432
220 HG23 VAL 76 HG23 VAL 76 56.872 2.641 1.530
221 H PHE 77 HN PHE 77 60.669 0.320 2.478
222 HA PHE 77 HA PHE 77 62.505 1.227 4.373
223 HB2 PHE 77 HB2 PHE 77 62.014 -1.189 3.585
224 HB3 PHE 77 HB1 PHE 77 63.203 -0.872 2.327
225 HD1 PHE 77 HD1 PHE 77 65.522 -0.063 3.105
226 HD2 PHE 77 HD2 PHE 77 62.690 -1.948 5.662
227 HE1 PHE 77 HE1 PHE 77 67.329 -0.651 4.667
228 HE2 PHE 77 HE2 PHE 77 64.493 -2.539 7.229
229 HZ PHE 77 HZ PHE 77 66.817 -1.891 6.732
230 H CYS 78 HN CYS 78 62.464 1.460 0.887
231 HA CYS 78 HA CYS 78 65.159 2.230 0.561
232 HB2 CYS 78 HB2 CYS 78 62.945 1.803 -1.131
233 HB3 CYS 78 HB1 CYS 78 63.458 3.463 -1.415
234 HG CYS 78 HG CYS 78 65.898 2.367 -1.894
235 H HIS 79 HN HIS 79 62.175 4.084 0.918
236 HA HIS 79 HA HIS 79 63.397 6.632 0.835
237 HB2 HIS 79 HB2 HIS 79 60.849 5.696 2.173
238 HB3 HIS 79 HB1 HIS 79 61.341 7.383 2.085
239 HD1 HIS 79 HD1 HIS 79 61.486 8.386 -0.438
240 HD2 HIS 79 HD2 HIS 79 59.508 4.766 0.036
241 HE1 HIS 79 HE1 HIS 79 60.090 8.061 -2.525
242 H SER 80 HN SER 80 63.400 4.105 3.122
243 HA SER 80 HA SER 80 63.866 5.704 5.458
244 HB2 SER 80 HB2 SER 80 63.382 2.949 4.881
245 HB3 SER 80 HB1 SER 80 64.852 3.067 5.847
246 HG SER 80 HG SER 80 63.525 4.512 7.233
247 H LEU 81 HN LEU 81 65.782 4.707 2.844
248 HA LEU 81 HA LEU 81 68.271 4.574 4.245
249 HB2 LEU 81 HB2 LEU 81 67.755 4.898 1.297
250 HB3 LEU 81 HB1 LEU 81 69.278 4.432 2.040
251 HG LEU 81 HG LEU 81 66.874 2.785 2.612
252 HD11 LEU 81 HD11 LEU 81 68.492 2.438 0.092
253 HD12 LEU 81 HD12 LEU 81 66.911 3.217 0.136
254 HD13 LEU 81 HD13 LEU 81 67.072 1.524 0.599
255 HD21 LEU 81 HD21 LEU 81 68.601 1.852 3.734
256 HD22 LEU 81 HD22 LEU 81 69.815 2.521 2.643
257 HD23 LEU 81 HD23 LEU 81 68.904 1.085 2.174
Start of MODEL 8
1 H1 GLN 49 HT1 GLN 49 33.246 -1.584 4.902
2 H2 GLN 49 HT2 GLN 49 33.767 -1.484 6.534
3 H3 GLN 49 HT3 GLN 49 33.710 -3.006 5.741
4 HA GLN 49 HA GLN 49 35.467 -2.486 4.361
5 HB2 GLN 49 HB2 GLN 49 34.869 0.297 5.302
6 HB3 GLN 49 HB1 GLN 49 36.478 -0.092 4.707
7 HG2 GLN 49 HG2 GLN 49 35.642 0.487 2.721
8 HG3 GLN 49 HG1 GLN 49 34.938 -1.129 2.738
9 HE21 GLN 49 HE21 GLN 49 33.373 -0.162 1.277
10 HE22 GLN 49 HE22 GLN 49 32.022 0.693 1.935
11 H MET 50 HN MET 50 36.848 -3.768 5.422
12 HA MET 50 HA MET 50 37.701 -3.050 8.125
13 HB2 MET 50 HB2 MET 50 36.906 -5.368 7.633
14 HB3 MET 50 HB1 MET 50 38.288 -5.570 6.564
15 HG2 MET 50 HG2 MET 50 39.265 -6.443 8.373
16 HG3 MET 50 HG1 MET 50 39.522 -4.759 8.825
17 HE1 MET 50 HE1 MET 50 39.254 -5.365 11.970
18 HE2 MET 50 HE2 MET 50 37.995 -4.136 11.846
19 HE3 MET 50 HE3 MET 50 39.377 -4.096 10.751
20 H GLN 51 HN GLN 51 38.927 -3.454 4.868
21 HA GLN 51 HA GLN 51 41.325 -1.997 5.593
22 HB2 GLN 51 HB2 GLN 51 42.766 -3.727 4.410
23 HB3 GLN 51 HB1 GLN 51 42.181 -4.159 6.011
24 HG2 GLN 51 HG2 GLN 51 40.239 -5.284 4.684
25 HG3 GLN 51 HG1 GLN 51 41.389 -5.235 3.349
26 HE21 GLN 51 HE21 GLN 51 41.438 -6.011 6.817
27 HE22 GLN 51 HE22 GLN 51 42.331 -7.480 6.648
28 HA PRO 52 HA PRO 52 40.754 -0.348 1.545
29 HB2 PRO 52 HB2 PRO 52 43.264 0.457 0.931
30 HB3 PRO 52 HB1 PRO 52 42.268 1.277 2.139
31 HG2 PRO 52 HG2 PRO 52 44.456 -0.729 2.533
32 HG3 PRO 52 HG1 PRO 52 44.137 0.769 3.427
33 HD2 PRO 52 HD2 PRO 52 43.421 -1.678 4.357
34 HD3 PRO 52 HD1 PRO 52 42.503 -0.204 4.723
35 H LEU 53 HN LEU 53 42.841 -3.034 2.071
36 HA LEU 53 HA LEU 53 43.514 -4.752 0.743
37 HB2 LEU 53 HB2 LEU 53 41.015 -4.172 -0.110
38 HB3 LEU 53 HB1 LEU 53 41.915 -3.899 -1.590
39 HG LEU 53 HG LEU 53 42.910 -6.245 -1.177
40 HD11 LEU 53 HD11 LEU 53 40.907 -7.576 -0.016
41 HD12 LEU 53 HD12 LEU 53 40.812 -6.072 0.898
42 HD13 LEU 53 HD13 LEU 53 42.314 -6.995 0.874
43 HD21 LEU 53 HD21 LEU 53 41.452 -5.826 -3.020
44 HD22 LEU 53 HD22 LEU 53 40.040 -5.783 -1.965
45 HD23 LEU 53 HD23 LEU 53 40.902 -7.300 -2.225
46 H CYS 54 HN CYS 54 44.920 -2.234 0.696
47 HA CYS 54 HA CYS 54 46.703 -2.732 -1.437
48 HB2 CYS 54 HB2 CYS 54 46.373 -0.703 -2.759
49 HB3 CYS 54 HB1 CYS 54 44.917 -1.692 -2.773
50 HG CYS 54 HG CYS 54 44.325 0.846 -2.389
51 H PHE 55 HN PHE 55 48.648 -1.723 -1.097
52 HA PHE 55 HA PHE 55 48.815 -0.080 1.324
53 HB2 PHE 55 HB2 PHE 55 50.711 -1.894 -0.106
54 HB3 PHE 55 HB1 PHE 55 51.372 -0.580 0.862
55 HD1 PHE 55 HD2 PHE 55 49.880 -0.405 3.217
56 HD2 PHE 55 HD1 PHE 55 50.807 -3.903 0.977
57 HE1 PHE 55 HE2 PHE 55 49.622 -1.770 5.248
58 HE2 PHE 55 HE1 PHE 55 50.550 -5.273 3.003
59 HZ PHE 55 HZ PHE 55 49.957 -4.207 5.143
60 H ASN 56 HN ASN 56 50.235 1.786 1.349
61 HA ASN 56 HA ASN 56 50.933 2.907 -1.244
62 HB2 ASN 56 HB2 ASN 56 49.821 5.101 -0.556
63 HB3 ASN 56 HB1 ASN 56 48.757 3.803 -1.087
64 HD21 ASN 56 HD21 ASN 56 47.213 5.207 0.093
65 HD22 ASN 56 HD22 ASN 56 46.997 4.918 1.783
66 H CYS 57 HN CYS 57 52.786 3.983 -1.189
67 HA CYS 57 HA CYS 57 54.200 4.247 1.302
68 HB2 CYS 57 HB2 CYS 57 55.491 3.541 -0.574
69 HB3 CYS 57 HB1 CYS 57 54.908 4.873 -1.564
70 HA PRO 58 HA PRO 58 52.759 8.458 1.824
71 HB2 PRO 58 HB2 PRO 58 53.802 8.900 4.251
72 HB3 PRO 58 HB1 PRO 58 52.423 7.820 4.019
73 HG2 PRO 58 HG2 PRO 58 55.315 7.147 4.387
74 HG3 PRO 58 HG1 PRO 58 53.888 6.374 5.100
75 HD2 PRO 58 HD2 PRO 58 55.233 5.396 2.917
76 HD3 PRO 58 HD1 PRO 58 53.520 5.077 3.251
77 H ILE 59 HN ILE 59 56.054 7.398 1.702
78 HA ILE 59 HA ILE 59 57.265 9.949 2.078
79 HB ILE 59 HB ILE 59 58.454 7.591 0.619
80 HG12 ILE 59 HG12 ILE 59 59.498 7.628 3.189
81 HG13 ILE 59 HG11 ILE 59 57.788 7.967 3.442
82 HG21 ILE 59 HG21 ILE 59 59.511 10.141 1.741
83 HG22 ILE 59 HG22 ILE 59 59.910 9.321 0.231
84 HG23 ILE 59 HG23 ILE 59 60.539 8.708 1.759
85 HD11 ILE 59 HD11 ILE 59 57.131 5.923 2.574
86 HD12 ILE 59 HD12 ILE 59 58.593 5.531 3.477
87 HD13 ILE 59 HD13 ILE 59 58.655 5.682 1.721
88 H CYS 60 HN CYS 60 56.705 7.992 -0.884
89 HA CYS 60 HA CYS 60 57.010 10.500 -2.405
90 HB2 CYS 60 HB2 CYS 60 57.755 9.255 -4.282
91 HB3 CYS 60 HB1 CYS 60 58.629 8.626 -2.890
92 H ASP 61 HN ASP 61 54.670 8.467 -1.270
93 HA ASP 61 HA ASP 61 52.412 8.480 -1.614
94 HB2 ASP 61 HB2 ASP 61 52.775 10.028 -4.172
95 HB3 ASP 61 HB1 ASP 61 51.369 9.970 -3.114
96 H LYS 62 HN LYS 62 54.116 6.415 -2.497
97 HA LYS 62 HA LYS 62 53.175 5.573 -5.102
98 HB2 LYS 62 HB2 LYS 62 55.408 4.979 -3.491
99 HB3 LYS 62 HB1 LYS 62 54.495 3.483 -3.614
100 HG2 LYS 62 HG2 LYS 62 54.595 4.614 -6.201
101 HG3 LYS 62 HG1 LYS 62 56.222 4.693 -5.525
102 HD2 LYS 62 HD2 LYS 62 55.991 2.272 -4.919
103 HD3 LYS 62 HD1 LYS 62 54.477 2.253 -5.826
104 HE2 LYS 62 HE2 LYS 62 56.124 1.447 -7.307
105 HE3 LYS 62 HE1 LYS 62 55.806 3.109 -7.800
106 HZ1 LYS 62 HZ1 LYS 62 57.794 3.825 -6.701
107 HZ2 LYS 62 HZ2 LYS 62 58.189 2.543 -7.732
108 HZ3 LYS 62 HZ3 LYS 62 58.068 2.281 -6.065
109 H ILE 63 HN ILE 63 52.142 3.408 -5.380
110 HA ILE 63 HA ILE 63 50.660 2.425 -3.073
111 HB ILE 63 HB ILE 63 49.235 3.428 -5.540
112 HG12 ILE 63 HG12 ILE 63 48.068 4.797 -3.603
113 HG13 ILE 63 HG11 ILE 63 49.599 4.522 -2.781
114 HG21 ILE 63 HG21 ILE 63 47.179 2.823 -4.291
115 HG22 ILE 63 HG22 ILE 63 48.190 2.049 -3.071
116 HG23 ILE 63 HG23 ILE 63 48.172 1.431 -4.722
117 HD11 ILE 63 HD11 ILE 63 50.514 5.403 -5.136
118 HD12 ILE 63 HD12 ILE 63 50.130 6.465 -3.781
119 HD13 ILE 63 HD13 ILE 63 48.963 6.240 -5.084
120 H PHE 64 HN PHE 64 50.124 0.318 -3.189
121 HA PHE 64 HA PHE 64 50.171 -1.096 -5.721
122 HB2 PHE 64 HB2 PHE 64 51.678 -2.679 -3.834
123 HB3 PHE 64 HB1 PHE 64 52.102 -2.204 -5.470
124 HD1 PHE 64 HD2 PHE 64 51.867 -0.568 -2.114
125 HD2 PHE 64 HD1 PHE 64 54.103 -1.144 -5.688
126 HE1 PHE 64 HE2 PHE 64 53.658 0.862 -1.220
127 HE2 PHE 64 HE1 PHE 64 55.900 0.279 -4.799
128 HZ PHE 64 HZ PHE 64 55.683 1.283 -2.561
129 HA PRO 65 HA PRO 65 46.895 -3.494 -4.038
130 HB2 PRO 65 HB2 PRO 65 48.415 -5.955 -4.734
131 HB3 PRO 65 HB1 PRO 65 46.776 -5.478 -5.189
132 HG2 PRO 65 HG2 PRO 65 48.768 -5.352 -6.952
133 HG3 PRO 65 HG1 PRO 65 47.507 -4.106 -6.906
134 HD2 PRO 65 HD2 PRO 65 50.321 -3.998 -5.909
135 HD3 PRO 65 HD1 PRO 65 49.342 -2.728 -6.673
136 H ALA 66 HN ALA 66 46.311 -4.948 -2.327
137 HA ALA 66 HA ALA 66 47.889 -4.695 -0.023
138 HB1 ALA 66 HB1 ALA 66 45.716 -4.971 0.566
139 HB2 ALA 66 HB2 ALA 66 46.235 -6.649 0.720
140 HB3 ALA 66 HB3 ALA 66 45.393 -6.117 -0.734
141 H THR 67 HN THR 67 47.861 -7.100 -2.516
142 HA THR 67 HA THR 67 49.179 -9.129 -0.969
143 HB THR 67 HB THR 67 49.605 -9.951 -3.479
144 HG1 THR 67 HG1 THR 67 48.468 -8.926 -4.909
145 HG21 THR 67 HG21 THR 67 46.887 -10.011 -2.192
146 HG22 THR 67 HG22 THR 67 48.208 -11.136 -1.871
147 HG23 THR 67 HG23 THR 67 47.463 -11.081 -3.469
148 H GLU 68 HN GLU 68 50.217 -6.233 -2.202
149 HA GLU 68 HA GLU 68 52.884 -7.185 -2.888
150 HB2 GLU 68 HB2 GLU 68 51.321 -4.733 -3.429
151 HB3 GLU 68 HB1 GLU 68 53.050 -4.507 -3.202
152 HG2 GLU 68 HG2 GLU 68 52.400 -4.796 -5.560
153 HG3 GLU 68 HG1 GLU 68 53.543 -6.015 -4.999
154 H LYS 69 HN LYS 69 51.849 -7.240 -0.133
155 HA LYS 69 HA LYS 69 52.791 -5.176 1.464
156 HB2 LYS 69 HB2 LYS 69 52.881 -6.838 3.281
157 HB3 LYS 69 HB1 LYS 69 51.397 -6.961 2.347
158 HG2 LYS 69 HG2 LYS 69 51.898 -9.017 1.562
159 HG3 LYS 69 HG1 LYS 69 53.629 -8.687 1.485
160 HD2 LYS 69 HD2 LYS 69 53.676 -10.105 3.249
161 HD3 LYS 69 HD1 LYS 69 53.284 -8.636 4.145
162 HE2 LYS 69 HE2 LYS 69 50.958 -10.037 3.043
163 HE3 LYS 69 HE1 LYS 69 51.862 -10.965 4.239
164 HZ1 LYS 69 HZ1 LYS 69 51.705 -8.967 5.705
165 HZ2 LYS 69 HZ2 LYS 69 50.228 -9.729 5.392
166 HZ3 LYS 69 HZ3 LYS 69 50.626 -8.294 4.590
167 H GLN 70 HN GLN 70 54.522 -7.743 -0.132
168 HA GLN 70 HA GLN 70 56.937 -7.507 1.355
169 HB2 GLN 70 HB2 GLN 70 56.489 -8.585 -1.435
170 HB3 GLN 70 HB1 GLN 70 57.942 -8.817 -0.471
171 HG2 GLN 70 HG2 GLN 70 55.833 -9.683 1.141
172 HG3 GLN 70 HG1 GLN 70 55.486 -10.306 -0.471
173 HE21 GLN 70 HE21 GLN 70 58.137 -10.010 1.861
174 HE22 GLN 70 HE22 GLN 70 58.852 -11.542 1.505
175 H ILE 71 HN ILE 71 55.723 -6.072 -1.621
176 HA ILE 71 HA ILE 71 58.168 -4.679 -2.196
177 HB ILE 71 HB ILE 71 55.431 -4.126 -3.339
178 HG12 ILE 71 HG12 ILE 71 57.564 -6.056 -4.282
179 HG13 ILE 71 HG11 ILE 71 55.984 -6.489 -3.637
180 HG21 ILE 71 HG21 ILE 71 57.650 -2.632 -3.596
181 HG22 ILE 71 HG22 ILE 71 56.426 -2.784 -4.856
182 HG23 ILE 71 HG23 ILE 71 57.890 -3.766 -4.926
183 HD11 ILE 71 HD11 ILE 71 56.752 -5.706 -6.319
184 HD12 ILE 71 HD12 ILE 71 55.369 -4.797 -5.710
185 HD13 ILE 71 HD13 ILE 71 55.317 -6.560 -5.751
186 H PHE 72 HN PHE 72 55.184 -3.988 -0.514
187 HA PHE 72 HA PHE 72 55.517 -1.166 -0.384
188 HB2 PHE 72 HB2 PHE 72 53.318 -2.039 -0.049
189 HB3 PHE 72 HB1 PHE 72 53.868 -3.111 1.234
190 HD1 PHE 72 HD1 PHE 72 54.314 0.542 0.605
191 HD2 PHE 72 HD2 PHE 72 52.907 -2.502 3.223
192 HE1 PHE 72 HE1 PHE 72 53.737 2.252 2.276
193 HE2 PHE 72 HE2 PHE 72 52.326 -0.798 4.900
194 HZ PHE 72 HZ PHE 72 52.741 1.583 4.426
195 H GLU 73 HN GLU 73 56.559 -3.863 1.599
196 HA GLU 73 HA GLU 73 57.491 -2.237 3.763
197 HB2 GLU 73 HB2 GLU 73 57.329 -5.084 3.134
198 HB3 GLU 73 HB1 GLU 73 58.831 -4.658 3.944
199 HG2 GLU 73 HG2 GLU 73 56.173 -3.780 5.009
200 HG3 GLU 73 HG1 GLU 73 56.842 -5.368 5.379
201 H ASP 74 HN ASP 74 58.916 -3.862 0.983
202 HA ASP 74 HA ASP 74 61.585 -3.122 1.600
203 HB2 ASP 74 HB2 ASP 74 60.492 -4.903 -0.126
204 HB3 ASP 74 HB1 ASP 74 60.902 -3.598 -1.235
205 H HIS 75 HN HIS 75 59.043 -1.761 -0.405
206 HA HIS 75 HA HIS 75 60.503 0.233 -1.695
207 HB2 HIS 75 HB2 HIS 75 58.222 -0.368 -2.345
208 HB3 HIS 75 HB1 HIS 75 57.610 0.266 -0.819
209 HD1 HIS 75 HD1 HIS 75 57.961 1.236 -4.235
210 HD2 HIS 75 HD2 HIS 75 58.376 3.169 -0.574
211 HE1 HIS 75 HE1 HIS 75 57.798 3.718 -4.709
212 H VAL 76 HN VAL 76 58.547 0.467 1.255
213 HA VAL 76 HA VAL 76 59.241 3.110 1.902
214 HB VAL 76 HB VAL 76 58.513 0.892 3.822
215 HG11 VAL 76 HG11 VAL 76 58.322 2.429 5.450
216 HG12 VAL 76 HG12 VAL 76 57.653 3.644 4.363
217 HG13 VAL 76 HG13 VAL 76 59.397 3.389 4.436
218 HG21 VAL 76 HG21 VAL 76 56.468 2.819 2.922
219 HG22 VAL 76 HG22 VAL 76 56.328 1.099 3.285
220 HG23 VAL 76 HG23 VAL 76 56.987 1.623 1.735
221 H PHE 77 HN PHE 77 60.751 0.022 2.569
222 HA PHE 77 HA PHE 77 62.606 0.782 4.508
223 HB2 PHE 77 HB2 PHE 77 62.054 -1.563 3.374
224 HB3 PHE 77 HB1 PHE 77 63.454 -1.145 2.393
225 HD1 PHE 77 HD2 PHE 77 62.454 -1.131 5.991
226 HD2 PHE 77 HD1 PHE 77 65.483 -1.924 3.108
227 HE1 PHE 77 HE2 PHE 77 63.939 -1.940 7.779
228 HE2 PHE 77 HE1 PHE 77 66.972 -2.735 4.890
229 HZ PHE 77 HZ PHE 77 66.202 -2.743 7.230
230 H CYS 78 HN CYS 78 62.651 1.111 1.012
231 HA CYS 78 HA CYS 78 65.332 1.932 0.787
232 HB2 CYS 78 HB2 CYS 78 62.915 2.256 -0.958
233 HB3 CYS 78 HB1 CYS 78 64.412 3.088 -1.366
234 HG CYS 78 HG CYS 78 65.166 1.011 -2.395
235 H HIS 79 HN HIS 79 62.331 3.773 1.104
236 HA HIS 79 HA HIS 79 63.570 6.318 1.118
237 HB2 HIS 79 HB2 HIS 79 60.958 5.361 2.309
238 HB3 HIS 79 HB1 HIS 79 61.465 7.046 2.316
239 HD1 HIS 79 HD1 HIS 79 61.682 8.186 -0.121
240 HD2 HIS 79 HD2 HIS 79 59.783 4.498 0.040
241 HE1 HIS 79 HE1 HIS 79 60.401 7.955 -2.290
242 H SER 80 HN SER 80 63.492 3.745 3.342
243 HA SER 80 HA SER 80 63.858 5.289 5.732
244 HB2 SER 80 HB2 SER 80 63.345 2.574 5.101
245 HB3 SER 80 HB1 SER 80 64.841 2.615 6.032
246 HG SER 80 HG SER 80 62.288 3.591 6.761
247 H LEU 81 HN LEU 81 65.875 4.336 3.174
248 HA LEU 81 HA LEU 81 68.311 4.177 4.656
249 HB2 LEU 81 HB2 LEU 81 67.900 4.586 1.702
250 HB3 LEU 81 HB1 LEU 81 69.393 4.092 2.486
251 HG LEU 81 HG LEU 81 66.964 2.440 2.919
252 HD11 LEU 81 HD11 LEU 81 67.070 2.927 0.467
253 HD12 LEU 81 HD12 LEU 81 67.263 1.223 0.878
254 HD13 LEU 81 HD13 LEU 81 68.673 2.191 0.445
255 HD21 LEU 81 HD21 LEU 81 69.899 2.161 3.059
256 HD22 LEU 81 HD22 LEU 81 69.005 0.745 2.507
257 HD23 LEU 81 HD23 LEU 81 68.639 1.462 4.076
Start of MODEL 9
1 H1 GLN 49 HT1 GLN 49 39.391 -3.639 7.513
2 H2 GLN 49 HT2 GLN 49 39.229 -4.990 8.559
3 H3 GLN 49 HT3 GLN 49 38.290 -3.579 8.825
4 HA GLN 49 HA GLN 49 38.066 -5.588 6.709
5 HB2 GLN 49 HB2 GLN 49 36.840 -5.214 9.151
6 HB3 GLN 49 HB1 GLN 49 35.703 -4.470 8.035
7 HG2 GLN 49 HG2 GLN 49 35.039 -6.435 7.219
8 HG3 GLN 49 HG1 GLN 49 36.686 -7.061 7.131
9 HE21 GLN 49 HE21 GLN 49 33.853 -6.700 9.120
10 HE22 GLN 49 HE22 GLN 49 34.297 -7.867 10.316
11 H MET 50 HN MET 50 37.538 -2.226 7.541
12 HA MET 50 HA MET 50 36.243 -1.766 4.946
13 HB2 MET 50 HB2 MET 50 36.046 -0.516 7.593
14 HB3 MET 50 HB1 MET 50 36.161 0.641 6.273
15 HG2 MET 50 HG2 MET 50 34.210 -0.207 5.239
16 HG3 MET 50 HG1 MET 50 34.181 -1.617 6.296
17 HE1 MET 50 HE1 MET 50 33.011 -0.227 9.683
18 HE2 MET 50 HE2 MET 50 34.711 -0.352 9.227
19 HE3 MET 50 HE3 MET 50 33.575 -1.615 8.752
20 H GLN 51 HN GLN 51 38.394 -2.095 3.949
21 HA GLN 51 HA GLN 51 39.749 0.470 3.695
22 HB2 GLN 51 HB2 GLN 51 41.024 -2.039 4.709
23 HB3 GLN 51 HB1 GLN 51 41.971 -0.937 3.719
24 HG2 GLN 51 HG2 GLN 51 40.475 0.064 6.105
25 HG3 GLN 51 HG1 GLN 51 42.047 -0.714 6.284
26 HE21 GLN 51 HE21 GLN 51 40.735 2.165 6.299
27 HE22 GLN 51 HE22 GLN 51 41.963 3.114 5.541
28 HA PRO 52 HA PRO 52 40.024 -0.486 -0.587
29 HB2 PRO 52 HB2 PRO 52 42.876 0.281 -0.622
30 HB3 PRO 52 HB1 PRO 52 41.508 1.001 -1.476
31 HG2 PRO 52 HG2 PRO 52 42.671 2.245 0.590
32 HG3 PRO 52 HG1 PRO 52 40.923 2.340 0.314
33 HD2 PRO 52 HD2 PRO 52 42.445 0.669 2.278
34 HD3 PRO 52 HD1 PRO 52 40.918 1.550 2.492
35 H LEU 53 HN LEU 53 42.157 -2.008 1.630
36 HA LEU 53 HA LEU 53 43.048 -4.108 1.645
37 HB2 LEU 53 HB2 LEU 53 41.008 -4.418 -0.083
38 HB3 LEU 53 HB1 LEU 53 42.351 -4.711 -1.171
39 HG LEU 53 HG LEU 53 43.009 -6.293 0.968
40 HD11 LEU 53 HD11 LEU 53 40.868 -7.598 1.350
41 HD12 LEU 53 HD12 LEU 53 40.018 -6.188 0.721
42 HD13 LEU 53 HD13 LEU 53 41.007 -6.046 2.174
43 HD21 LEU 53 HD21 LEU 53 43.268 -7.185 -1.150
44 HD22 LEU 53 HD22 LEU 53 41.616 -6.794 -1.629
45 HD23 LEU 53 HD23 LEU 53 41.919 -8.126 -0.513
46 H CYS 54 HN CYS 54 44.439 -1.737 0.769
47 HA CYS 54 HA CYS 54 46.724 -3.030 -0.465
48 HB2 CYS 54 HB2 CYS 54 45.493 -0.561 -1.714
49 HB3 CYS 54 HB1 CYS 54 46.974 -1.358 -2.231
50 HG CYS 54 HG CYS 54 45.056 -3.446 -2.588
51 H PHE 55 HN PHE 55 48.372 -0.974 -0.895
52 HA PHE 55 HA PHE 55 48.343 0.669 1.537
53 HB2 PHE 55 HB2 PHE 55 50.619 -1.036 0.519
54 HB3 PHE 55 HB1 PHE 55 50.855 0.284 1.660
55 HD1 PHE 55 HD2 PHE 55 49.192 -2.977 1.173
56 HD2 PHE 55 HD1 PHE 55 50.391 0.015 3.951
57 HE1 PHE 55 HE2 PHE 55 48.661 -4.497 3.033
58 HE2 PHE 55 HE1 PHE 55 49.862 -1.499 5.816
59 HZ PHE 55 HZ PHE 55 48.995 -3.759 5.359
60 H ASN 56 HN ASN 56 49.985 2.476 1.387
61 HA ASN 56 HA ASN 56 50.572 3.275 -1.361
62 HB2 ASN 56 HB2 ASN 56 49.155 5.148 0.538
63 HB3 ASN 56 HB1 ASN 56 49.517 5.415 -1.165
64 HD21 ASN 56 HD21 ASN 56 48.553 3.723 -2.650
65 HD22 ASN 56 HD22 ASN 56 46.922 3.257 -2.324
66 H CYS 57 HN CYS 57 52.550 4.084 -1.522
67 HA CYS 57 HA CYS 57 54.164 4.504 0.803
68 HB2 CYS 57 HB2 CYS 57 55.215 3.562 -1.138
69 HB3 CYS 57 HB1 CYS 57 54.682 4.900 -2.146
70 HA PRO 58 HA PRO 58 52.819 8.794 1.148
71 HB2 PRO 58 HB2 PRO 58 54.660 8.912 3.419
72 HB3 PRO 58 HB1 PRO 58 52.907 9.108 3.389
73 HG2 PRO 58 HG2 PRO 58 54.121 6.947 4.474
74 HG3 PRO 58 HG1 PRO 58 52.517 6.874 3.722
75 HD2 PRO 58 HD2 PRO 58 55.169 6.023 2.637
76 HD3 PRO 58 HD1 PRO 58 53.576 5.256 2.462
77 H ILE 59 HN ILE 59 55.992 7.563 0.674
78 HA ILE 59 HA ILE 59 57.314 10.111 0.663
79 HB ILE 59 HB ILE 59 58.299 7.495 -0.465
80 HG12 ILE 59 HG12 ILE 59 59.605 7.973 1.937
81 HG13 ILE 59 HG11 ILE 59 57.936 8.420 2.279
82 HG21 ILE 59 HG21 ILE 59 59.557 10.149 0.062
83 HG22 ILE 59 HG22 ILE 59 59.741 9.074 -1.323
84 HG23 ILE 59 HG23 ILE 59 60.528 8.684 0.206
85 HD11 ILE 59 HD11 ILE 59 58.763 5.792 1.077
86 HD12 ILE 59 HD12 ILE 59 57.162 6.248 1.658
87 HD13 ILE 59 HD13 ILE 59 58.496 6.062 2.798
88 H CYS 60 HN CYS 60 56.481 7.769 -1.941
89 HA CYS 60 HA CYS 60 56.609 10.062 -3.796
90 HB2 CYS 60 HB2 CYS 60 57.434 8.663 -5.523
91 HB3 CYS 60 HB1 CYS 60 58.392 8.302 -4.092
92 H ASP 61 HN ASP 61 54.498 7.986 -2.336
93 HA ASP 61 HA ASP 61 52.217 7.884 -2.595
94 HB2 ASP 61 HB2 ASP 61 52.732 9.840 -4.392
95 HB3 ASP 61 HB1 ASP 61 52.151 8.572 -5.468
96 H LYS 62 HN LYS 62 54.460 5.973 -3.651
97 HA LYS 62 HA LYS 62 53.435 4.412 -5.712
98 HB2 LYS 62 HB2 LYS 62 55.717 4.215 -4.650
99 HB3 LYS 62 HB1 LYS 62 54.954 3.345 -3.329
100 HG2 LYS 62 HG2 LYS 62 55.918 1.759 -4.823
101 HG3 LYS 62 HG1 LYS 62 54.165 1.660 -4.974
102 HD2 LYS 62 HD2 LYS 62 54.584 3.408 -6.910
103 HD3 LYS 62 HD1 LYS 62 56.190 2.680 -6.903
104 HE2 LYS 62 HE2 LYS 62 53.550 1.293 -7.328
105 HE3 LYS 62 HE1 LYS 62 54.843 1.517 -8.505
106 HZ1 LYS 62 HZ1 LYS 62 56.146 0.238 -6.570
107 HZ2 LYS 62 HZ2 LYS 62 55.387 -0.550 -7.859
108 HZ3 LYS 62 HZ3 LYS 62 54.603 -0.428 -6.366
109 H ILE 63 HN ILE 63 52.446 2.222 -5.554
110 HA ILE 63 HA ILE 63 50.736 1.888 -3.193
111 HB ILE 63 HB ILE 63 49.669 1.636 -6.002
112 HG12 ILE 63 HG12 ILE 63 48.299 3.717 -4.975
113 HG13 ILE 63 HG11 ILE 63 49.840 3.957 -4.159
114 HG21 ILE 63 HG21 ILE 63 48.208 1.734 -3.369
115 HG22 ILE 63 HG22 ILE 63 48.618 0.247 -4.226
116 HG23 ILE 63 HG23 ILE 63 47.521 1.417 -4.962
117 HD11 ILE 63 HD11 ILE 63 49.384 5.108 -6.433
118 HD12 ILE 63 HD12 ILE 63 49.778 3.528 -7.109
119 HD13 ILE 63 HD13 ILE 63 50.961 4.384 -6.121
120 H PHE 64 HN PHE 64 50.220 -0.198 -2.661
121 HA PHE 64 HA PHE 64 51.010 -2.371 -4.441
122 HB2 PHE 64 HB2 PHE 64 52.018 -2.149 -1.595
123 HB3 PHE 64 HB1 PHE 64 52.282 -3.510 -2.678
124 HD1 PHE 64 HD1 PHE 64 53.134 -0.001 -2.000
125 HD2 PHE 64 HD2 PHE 64 53.963 -3.444 -4.359
126 HE1 PHE 64 HE1 PHE 64 55.207 1.052 -2.802
127 HE2 PHE 64 HE2 PHE 64 56.038 -2.397 -5.166
128 HZ PHE 64 HZ PHE 64 56.663 -0.147 -4.385
129 HA PRO 65 HA PRO 65 47.228 -4.100 -2.919
130 HB2 PRO 65 HB2 PRO 65 47.847 -6.778 -3.168
131 HB3 PRO 65 HB1 PRO 65 47.280 -5.753 -4.490
132 HG2 PRO 65 HG2 PRO 65 50.059 -6.597 -3.802
133 HG3 PRO 65 HG1 PRO 65 49.299 -6.424 -5.394
134 HD2 PRO 65 HD2 PRO 65 50.997 -4.575 -4.414
135 HD3 PRO 65 HD1 PRO 65 49.612 -4.133 -5.434
136 H ALA 66 HN ALA 66 46.370 -5.126 -1.092
137 HA ALA 66 HA ALA 66 47.756 -4.851 1.282
138 HB1 ALA 66 HB1 ALA 66 45.253 -6.238 0.494
139 HB2 ALA 66 HB2 ALA 66 45.508 -4.922 1.639
140 HB3 ALA 66 HB3 ALA 66 45.921 -6.576 2.090
141 H THR 67 HN THR 67 47.680 -7.560 -0.906
142 HA THR 67 HA THR 67 48.788 -9.436 0.964
143 HB THR 67 HB THR 67 49.240 -10.587 -1.442
144 HG1 THR 67 HG1 THR 67 46.909 -9.063 -1.894
145 HG21 THR 67 HG21 THR 67 47.695 -11.282 0.504
146 HG22 THR 67 HG22 THR 67 47.356 -11.871 -1.123
147 HG23 THR 67 HG23 THR 67 46.424 -10.529 -0.460
148 H GLU 68 HN GLU 68 50.045 -6.960 -1.011
149 HA GLU 68 HA GLU 68 52.699 -8.167 -1.039
150 HB2 GLU 68 HB2 GLU 68 51.425 -5.939 -2.574
151 HB3 GLU 68 HB1 GLU 68 53.176 -6.011 -2.438
152 HG2 GLU 68 HG2 GLU 68 53.082 -8.326 -3.355
153 HG3 GLU 68 HG1 GLU 68 51.360 -8.083 -3.641
154 H LYS 69 HN LYS 69 51.521 -7.176 1.417
155 HA LYS 69 HA LYS 69 52.392 -4.638 2.158
156 HB2 LYS 69 HB2 LYS 69 50.912 -6.240 3.472
157 HB3 LYS 69 HB1 LYS 69 52.394 -7.028 3.998
158 HG2 LYS 69 HG2 LYS 69 52.544 -4.178 4.405
159 HG3 LYS 69 HG1 LYS 69 51.118 -4.861 5.189
160 HD2 LYS 69 HD2 LYS 69 53.007 -6.688 5.865
161 HD3 LYS 69 HD1 LYS 69 53.972 -5.212 5.808
162 HE2 LYS 69 HE2 LYS 69 52.758 -4.200 7.503
163 HE3 LYS 69 HE1 LYS 69 51.354 -5.236 7.252
164 HZ1 LYS 69 HZ1 LYS 69 53.793 -5.745 8.777
165 HZ2 LYS 69 HZ2 LYS 69 53.093 -7.062 7.980
166 HZ3 LYS 69 HZ3 LYS 69 52.194 -6.186 9.114
167 H GLN 70 HN GLN 70 54.144 -7.630 1.814
168 HA GLN 70 HA GLN 70 56.451 -6.967 3.277
169 HB2 GLN 70 HB2 GLN 70 55.872 -9.251 2.455
170 HB3 GLN 70 HB1 GLN 70 56.285 -8.727 0.829
171 HG2 GLN 70 HG2 GLN 70 58.579 -8.187 1.702
172 HG3 GLN 70 HG1 GLN 70 58.114 -9.003 3.194
173 HE21 GLN 70 HE21 GLN 70 58.556 -9.432 -0.266
174 HE22 GLN 70 HE22 GLN 70 58.851 -11.133 -0.207
175 H ILE 71 HN ILE 71 55.821 -6.755 -0.207
176 HA ILE 71 HA ILE 71 58.236 -5.482 -0.880
177 HB ILE 71 HB ILE 71 55.609 -5.221 -2.345
178 HG12 ILE 71 HG12 ILE 71 57.126 -7.132 -3.654
179 HG13 ILE 71 HG11 ILE 71 57.389 -7.509 -1.954
180 HG21 ILE 71 HG21 ILE 71 58.477 -4.870 -3.192
181 HG22 ILE 71 HG22 ILE 71 57.199 -3.654 -3.174
182 HG23 ILE 71 HG23 ILE 71 57.129 -4.990 -4.324
183 HD11 ILE 71 HD11 ILE 71 54.978 -7.782 -3.604
184 HD12 ILE 71 HD12 ILE 71 54.719 -7.185 -1.965
185 HD13 ILE 71 HD13 ILE 71 55.530 -8.729 -2.223
186 H PHE 72 HN PHE 72 55.179 -4.265 0.296
187 HA PHE 72 HA PHE 72 55.540 -1.545 -0.355
188 HB2 PHE 72 HB2 PHE 72 53.359 -2.435 0.289
189 HB3 PHE 72 HB1 PHE 72 53.964 -2.806 1.900
190 HD1 PHE 72 HD1 PHE 72 54.150 0.206 -0.299
191 HD2 PHE 72 HD2 PHE 72 53.019 -1.426 3.465
192 HE1 PHE 72 HE1 PHE 72 53.475 2.445 0.464
193 HE2 PHE 72 HE2 PHE 72 52.341 0.810 4.235
194 HZ PHE 72 HZ PHE 72 52.568 2.750 2.734
195 H GLU 73 HN GLU 73 56.509 -3.485 2.417
196 HA GLU 73 HA GLU 73 57.482 -1.285 3.952
197 HB2 GLU 73 HB2 GLU 73 57.907 -4.269 4.134
198 HB3 GLU 73 HB1 GLU 73 58.654 -3.135 5.252
199 HG2 GLU 73 HG2 GLU 73 55.866 -2.568 5.088
200 HG3 GLU 73 HG1 GLU 73 56.088 -4.292 5.383
201 H ASP 74 HN ASP 74 58.806 -3.504 1.600
202 HA ASP 74 HA ASP 74 61.523 -2.812 2.011
203 HB2 ASP 74 HB2 ASP 74 60.129 -4.703 0.484
204 HB3 ASP 74 HB1 ASP 74 60.976 -3.699 -0.689
205 H HIS 75 HN HIS 75 59.050 -1.792 -0.291
206 HA HIS 75 HA HIS 75 60.567 -0.089 -1.870
207 HB2 HIS 75 HB2 HIS 75 58.312 -0.673 -2.500
208 HB3 HIS 75 HB1 HIS 75 57.664 0.094 -1.053
209 HD1 HIS 75 HD1 HIS 75 58.361 0.764 -4.559
210 HD2 HIS 75 HD2 HIS 75 58.106 2.997 -1.058
211 HE1 HIS 75 HE1 HIS 75 58.050 3.174 -5.267
212 H VAL 76 HN VAL 76 58.607 0.740 0.975
213 HA VAL 76 HA VAL 76 59.385 3.429 1.155
214 HB VAL 76 HB VAL 76 58.622 1.560 3.411
215 HG11 VAL 76 HG11 VAL 76 59.128 3.279 4.739
216 HG12 VAL 76 HG12 VAL 76 57.760 4.128 4.020
217 HG13 VAL 76 HG13 VAL 76 59.382 4.356 3.365
218 HG21 VAL 76 HG21 VAL 76 56.450 1.813 2.881
219 HG22 VAL 76 HG22 VAL 76 57.077 2.183 1.274
220 HG23 VAL 76 HG23 VAL 76 56.660 3.490 2.382
221 H PHE 77 HN PHE 77 60.797 0.462 2.363
222 HA PHE 77 HA PHE 77 62.771 1.485 4.044
223 HB2 PHE 77 HB2 PHE 77 62.129 -1.039 2.880
224 HB3 PHE 77 HB1 PHE 77 63.844 -0.748 2.616
225 HD1 PHE 77 HD2 PHE 77 61.224 -0.935 5.219
226 HD2 PHE 77 HD1 PHE 77 65.392 -0.966 4.363
227 HE1 PHE 77 HE2 PHE 77 61.690 -1.624 7.534
228 HE2 PHE 77 HE1 PHE 77 65.867 -1.656 6.676
229 HZ PHE 77 HZ PHE 77 64.014 -1.985 8.266
230 H CYS 78 HN CYS 78 62.560 1.314 0.562
231 HA CYS 78 HA CYS 78 65.284 1.866 0.037
232 HB2 CYS 78 HB2 CYS 78 62.887 2.480 -1.703
233 HB3 CYS 78 HB1 CYS 78 64.562 2.402 -2.240
234 HG CYS 78 HG CYS 78 63.366 0.161 -2.827
235 H HIS 79 HN HIS 79 62.415 3.910 0.265
236 HA HIS 79 HA HIS 79 63.751 6.355 -0.209
237 HB2 HIS 79 HB2 HIS 79 61.228 5.739 1.346
238 HB3 HIS 79 HB1 HIS 79 61.793 7.372 1.011
239 HD1 HIS 79 HD1 HIS 79 61.834 8.051 -1.606
240 HD2 HIS 79 HD2 HIS 79 59.789 4.576 -0.617
241 HE1 HIS 79 HE1 HIS 79 60.340 7.521 -3.578
242 H SER 80 HN SER 80 63.756 4.157 2.401
243 HA SER 80 HA SER 80 64.407 6.039 4.469
244 HB2 SER 80 HB2 SER 80 65.004 3.095 4.586
245 HB3 SER 80 HB1 SER 80 64.593 4.187 5.907
246 HG SER 80 HG SER 80 62.722 3.186 5.546
247 H LEU 81 HN LEU 81 66.141 4.560 1.950
248 HA LEU 81 HA LEU 81 68.691 4.510 3.232
249 HB2 LEU 81 HB2 LEU 81 68.038 4.456 0.294
250 HB3 LEU 81 HB1 LEU 81 69.570 4.010 1.027
251 HG LEU 81 HG LEU 81 67.118 2.596 1.924
252 HD11 LEU 81 HD11 LEU 81 67.197 1.038 0.099
253 HD12 LEU 81 HD12 LEU 81 68.592 1.857 -0.604
254 HD13 LEU 81 HD13 LEU 81 67.022 2.660 -0.571
255 HD21 LEU 81 HD21 LEU 81 68.995 0.725 1.694
256 HD22 LEU 81 HD22 LEU 81 68.883 1.782 3.101
257 HD23 LEU 81 HD23 LEU 81 70.046 2.135 1.822
Start of MODEL 10
1 H1 GLN 49 HT1 GLN 49 41.277 5.324 6.885
2 H2 GLN 49 HT2 GLN 49 39.715 5.831 7.389
3 H3 GLN 49 HT3 GLN 49 40.001 5.426 5.745
4 HA GLN 49 HA GLN 49 39.877 3.670 8.088
5 HB2 GLN 49 HB2 GLN 49 38.342 4.156 5.578
6 HB3 GLN 49 HB1 GLN 49 38.403 2.511 6.196
7 HG2 GLN 49 HG2 GLN 49 37.679 4.720 8.053
8 HG3 GLN 49 HG1 GLN 49 36.484 4.147 6.890
9 HE21 GLN 49 HE21 GLN 49 35.424 2.297 7.283
10 HE22 GLN 49 HE22 GLN 49 35.711 1.267 8.640
11 H MET 50 HN MET 50 39.780 1.283 6.964
12 HA MET 50 HA MET 50 42.438 0.981 5.760
13 HB2 MET 50 HB2 MET 50 41.427 -0.251 7.938
14 HB3 MET 50 HB1 MET 50 40.956 -1.405 6.699
15 HG2 MET 50 HG2 MET 50 42.984 -2.257 7.188
16 HG3 MET 50 HG1 MET 50 43.490 -1.077 5.980
17 HE1 MET 50 HE1 MET 50 46.424 -0.247 7.597
18 HE2 MET 50 HE2 MET 50 45.631 -1.568 6.741
19 HE3 MET 50 HE3 MET 50 46.073 -1.757 8.437
20 H GLN 51 HN GLN 51 42.737 -0.645 4.090
21 HA GLN 51 HA GLN 51 40.402 -1.552 2.641
22 HB2 GLN 51 HB2 GLN 51 42.106 0.701 1.713
23 HB3 GLN 51 HB1 GLN 51 41.613 -0.482 0.509
24 HG2 GLN 51 HG2 GLN 51 39.237 -0.097 1.444
25 HG3 GLN 51 HG1 GLN 51 39.926 1.373 2.133
26 HE21 GLN 51 HE21 GLN 51 38.957 2.884 0.911
27 HE22 GLN 51 HE22 GLN 51 39.121 3.012 -0.805
28 HA PRO 52 HA PRO 52 43.905 -4.583 2.679
29 HB2 PRO 52 HB2 PRO 52 41.545 -6.297 2.082
30 HB3 PRO 52 HB1 PRO 52 42.869 -6.561 3.222
31 HG2 PRO 52 HG2 PRO 52 40.459 -5.835 4.088
32 HG3 PRO 52 HG1 PRO 52 41.930 -5.184 4.836
33 HD2 PRO 52 HD2 PRO 52 40.040 -3.885 2.921
34 HD3 PRO 52 HD1 PRO 52 40.916 -3.182 4.297
35 H LEU 53 HN LEU 53 43.935 -6.626 1.000
36 HA LEU 53 HA LEU 53 44.308 -7.255 -1.152
37 HB2 LEU 53 HB2 LEU 53 41.718 -6.333 -1.081
38 HB3 LEU 53 HB1 LEU 53 42.411 -5.407 -2.399
39 HG LEU 53 HG LEU 53 43.277 -7.923 -3.005
40 HD11 LEU 53 HD11 LEU 53 40.574 -8.164 -1.702
41 HD12 LEU 53 HD12 LEU 53 42.056 -9.019 -1.271
42 HD13 LEU 53 HD13 LEU 53 41.252 -9.363 -2.802
43 HD21 LEU 53 HD21 LEU 53 40.861 -6.354 -3.833
44 HD22 LEU 53 HD22 LEU 53 41.229 -7.919 -4.559
45 HD23 LEU 53 HD23 LEU 53 42.382 -6.592 -4.694
46 H CYS 54 HN CYS 54 45.625 -4.845 0.025
47 HA CYS 54 HA CYS 54 47.258 -4.125 -2.094
48 HB2 CYS 54 HB2 CYS 54 46.490 -1.717 -2.398
49 HB3 CYS 54 HB1 CYS 54 45.495 -2.952 -3.162
50 HG CYS 54 HG CYS 54 43.719 -2.601 -1.295
51 H PHE 55 HN PHE 55 48.225 -1.729 -1.555
52 HA PHE 55 HA PHE 55 48.348 -1.116 1.237
53 HB2 PHE 55 HB2 PHE 55 50.492 -2.749 -0.051
54 HB3 PHE 55 HB1 PHE 55 50.963 -1.527 1.124
55 HD1 PHE 55 HD1 PHE 55 48.937 -1.638 3.149
56 HD2 PHE 55 HD2 PHE 55 50.681 -4.819 0.924
57 HE1 PHE 55 HE1 PHE 55 48.419 -3.196 4.980
58 HE2 PHE 55 HE2 PHE 55 50.166 -6.384 2.752
59 HZ PHE 55 HZ PHE 55 49.033 -5.574 4.783
60 H ASN 56 HN ASN 56 48.532 1.023 1.281
61 HA ASN 56 HA ASN 56 49.889 2.355 -0.957
62 HB2 ASN 56 HB2 ASN 56 47.990 3.594 1.039
63 HB3 ASN 56 HB1 ASN 56 48.577 4.311 -0.459
64 HD21 ASN 56 HD21 ASN 56 45.901 4.161 0.077
65 HD22 ASN 56 HD22 ASN 56 45.156 3.030 -0.995
66 H CYS 57 HN CYS 57 51.640 3.598 -0.653
67 HA CYS 57 HA CYS 57 52.995 3.476 1.861
68 HB2 CYS 57 HB2 CYS 57 54.344 3.388 -0.107
69 HB3 CYS 57 HB1 CYS 57 53.625 4.860 -0.746
70 HA PRO 58 HA PRO 58 50.920 7.182 3.353
71 HB2 PRO 58 HB2 PRO 58 51.969 7.134 5.847
72 HB3 PRO 58 HB1 PRO 58 50.648 6.072 5.346
73 HG2 PRO 58 HG2 PRO 58 53.577 5.483 5.554
74 HG3 PRO 58 HG1 PRO 58 52.199 4.493 6.068
75 HD2 PRO 58 HD2 PRO 58 53.532 4.050 3.753
76 HD3 PRO 58 HD1 PRO 58 51.798 3.718 3.936
77 H ILE 59 HN ILE 59 54.300 6.613 2.988
78 HA ILE 59 HA ILE 59 55.178 9.131 4.022
79 HB ILE 59 HB ILE 59 56.642 7.300 2.120
80 HG12 ILE 59 HG12 ILE 59 57.511 7.225 4.885
81 HG13 ILE 59 HG11 ILE 59 55.814 6.778 4.752
82 HG21 ILE 59 HG21 ILE 59 57.427 9.675 3.758
83 HG22 ILE 59 HG22 ILE 59 57.814 9.294 2.081
84 HG23 ILE 59 HG23 ILE 59 58.612 8.423 3.389
85 HD11 ILE 59 HD11 ILE 59 58.102 5.209 4.223
86 HD12 ILE 59 HD12 ILE 59 57.239 5.437 2.703
87 HD13 ILE 59 HD13 ILE 59 56.403 4.757 4.097
88 H CYS 60 HN CYS 60 54.871 7.861 0.673
89 HA CYS 60 HA CYS 60 54.800 10.677 -0.208
90 HB2 CYS 60 HB2 CYS 60 55.726 10.031 -2.307
91 HB3 CYS 60 HB1 CYS 60 56.711 9.284 -1.054
92 H ASP 61 HN ASP 61 52.779 8.163 0.375
93 HA ASP 61 HA ASP 61 50.558 7.897 -0.074
94 HB2 ASP 61 HB2 ASP 61 50.842 10.495 -0.666
95 HB3 ASP 61 HB1 ASP 61 50.497 9.886 -2.283
96 H LYS 62 HN LYS 62 52.536 6.341 -1.290
97 HA LYS 62 HA LYS 62 51.793 6.000 -4.068
98 HB2 LYS 62 HB2 LYS 62 54.083 5.445 -2.575
99 HB3 LYS 62 HB1 LYS 62 53.417 3.864 -2.958
100 HG2 LYS 62 HG2 LYS 62 53.276 5.333 -5.333
101 HG3 LYS 62 HG1 LYS 62 54.855 5.696 -4.634
102 HD2 LYS 62 HD2 LYS 62 55.413 3.367 -4.525
103 HD3 LYS 62 HD1 LYS 62 53.776 2.905 -4.997
104 HE2 LYS 62 HE2 LYS 62 54.684 2.755 -7.053
105 HE3 LYS 62 HE1 LYS 62 54.448 4.502 -7.066
106 HZ1 LYS 62 HZ1 LYS 62 56.711 3.715 -7.732
107 HZ2 LYS 62 HZ2 LYS 62 56.951 3.217 -6.134
108 HZ3 LYS 62 HZ3 LYS 62 56.696 4.852 -6.479
109 H ILE 63 HN ILE 63 51.459 3.596 -4.761
110 HA ILE 63 HA ILE 63 49.644 2.255 -2.877
111 HB ILE 63 HB ILE 63 49.068 2.575 -5.824
112 HG12 ILE 63 HG12 ILE 63 47.097 3.739 -4.064
113 HG13 ILE 63 HG11 ILE 63 48.679 4.445 -3.748
114 HG21 ILE 63 HG21 ILE 63 47.750 1.108 -3.585
115 HG22 ILE 63 HG22 ILE 63 48.033 0.604 -5.251
116 HG23 ILE 63 HG23 ILE 63 46.759 1.769 -4.886
117 HD11 ILE 63 HD11 ILE 63 48.527 4.436 -6.494
118 HD12 ILE 63 HD12 ILE 63 48.234 5.814 -5.434
119 HD13 ILE 63 HD13 ILE 63 46.883 4.825 -5.988
120 H PHE 64 HN PHE 64 49.359 -0.013 -3.245
121 HA PHE 64 HA PHE 64 51.035 -1.352 -5.179
122 HB2 PHE 64 HB2 PHE 64 51.605 -1.490 -2.218
123 HB3 PHE 64 HB1 PHE 64 52.155 -2.720 -3.350
124 HD1 PHE 64 HD1 PHE 64 52.514 0.773 -2.298
125 HD2 PHE 64 HD2 PHE 64 53.969 -2.305 -4.849
126 HE1 PHE 64 HE1 PHE 64 54.515 2.122 -2.778
127 HE2 PHE 64 HE2 PHE 64 55.972 -0.962 -5.334
128 HZ PHE 64 HZ PHE 64 56.248 1.253 -4.297
129 HA PRO 65 HA PRO 65 47.684 -4.222 -4.766
130 HB2 PRO 65 HB2 PRO 65 48.781 -6.393 -5.969
131 HB3 PRO 65 HB1 PRO 65 48.221 -4.979 -6.870
132 HG2 PRO 65 HG2 PRO 65 50.996 -5.733 -6.062
133 HG3 PRO 65 HG1 PRO 65 50.423 -5.046 -7.591
134 HD2 PRO 65 HD2 PRO 65 51.627 -3.563 -5.651
135 HD3 PRO 65 HD1 PRO 65 50.418 -2.900 -6.769
136 H ALA 66 HN ALA 66 47.075 -6.128 -3.633
137 HA ALA 66 HA ALA 66 48.193 -6.503 -1.156
138 HB1 ALA 66 HB1 ALA 66 46.925 -8.902 -2.299
139 HB2 ALA 66 HB2 ALA 66 45.975 -7.418 -2.374
140 HB3 ALA 66 HB3 ALA 66 46.559 -8.015 -0.820
141 H THR 67 HN THR 67 48.989 -8.172 -4.153
142 HA THR 67 HA THR 67 50.713 -10.086 -2.879
143 HB THR 67 HB THR 67 51.419 -10.326 -5.434
144 HG1 THR 67 HG1 THR 67 50.091 -9.413 -6.799
145 HG21 THR 67 HG21 THR 67 49.939 -11.845 -3.896
146 HG22 THR 67 HG22 THR 67 49.971 -12.070 -5.645
147 HG23 THR 67 HG23 THR 67 48.634 -11.199 -4.892
148 H GLU 68 HN GLU 68 51.109 -6.895 -3.164
149 HA GLU 68 HA GLU 68 53.927 -7.056 -3.907
150 HB2 GLU 68 HB2 GLU 68 51.862 -5.132 -4.446
151 HB3 GLU 68 HB1 GLU 68 53.189 -4.356 -3.596
152 HG2 GLU 68 HG2 GLU 68 53.480 -4.187 -5.993
153 HG3 GLU 68 HG1 GLU 68 54.755 -5.166 -5.271
154 H LYS 69 HN LYS 69 53.005 -7.950 -1.352
155 HA LYS 69 HA LYS 69 53.329 -6.003 0.657
156 HB2 LYS 69 HB2 LYS 69 52.264 -8.153 1.100
157 HB3 LYS 69 HB1 LYS 69 53.771 -8.993 0.766
158 HG2 LYS 69 HG2 LYS 69 53.262 -8.771 3.176
159 HG3 LYS 69 HG1 LYS 69 54.803 -8.050 2.709
160 HD2 LYS 69 HD2 LYS 69 53.921 -5.858 2.836
161 HD3 LYS 69 HD1 LYS 69 52.262 -6.452 2.928
162 HE2 LYS 69 HE2 LYS 69 52.885 -5.768 5.119
163 HE3 LYS 69 HE1 LYS 69 52.869 -7.532 5.108
164 HZ1 LYS 69 HZ1 LYS 69 55.407 -7.053 4.471
165 HZ2 LYS 69 HZ2 LYS 69 54.871 -7.256 6.063
166 HZ3 LYS 69 HZ3 LYS 69 55.095 -5.700 5.438
167 H GLN 70 HN GLN 70 55.611 -7.966 -1.126
168 HA GLN 70 HA GLN 70 57.826 -7.344 0.601
169 HB2 GLN 70 HB2 GLN 70 59.195 -8.561 -0.931
170 HB3 GLN 70 HB1 GLN 70 57.682 -9.437 -0.764
171 HG2 GLN 70 HG2 GLN 70 57.936 -7.507 -3.004
172 HG3 GLN 70 HG1 GLN 70 58.814 -9.030 -3.106
173 HE21 GLN 70 HE21 GLN 70 55.781 -7.477 -3.299
174 HE22 GLN 70 HE22 GLN 70 54.832 -8.869 -3.683
175 H ILE 71 HN ILE 71 56.465 -6.033 -2.343
176 HA ILE 71 HA ILE 71 58.688 -4.255 -2.816
177 HB ILE 71 HB ILE 71 55.932 -4.169 -4.050
178 HG12 ILE 71 HG12 ILE 71 58.446 -5.606 -4.929
179 HG13 ILE 71 HG11 ILE 71 56.909 -6.340 -4.486
180 HG21 ILE 71 HG21 ILE 71 56.805 -2.736 -5.669
181 HG22 ILE 71 HG22 ILE 71 58.473 -3.140 -5.264
182 HG23 ILE 71 HG23 ILE 71 57.515 -2.147 -4.166
183 HD11 ILE 71 HD11 ILE 71 56.434 -6.353 -6.648
184 HD12 ILE 71 HD12 ILE 71 57.800 -5.305 -7.027
185 HD13 ILE 71 HD13 ILE 71 56.258 -4.602 -6.537
186 H PHE 72 HN PHE 72 55.583 -4.181 -1.233
187 HA PHE 72 HA PHE 72 55.433 -1.351 -0.925
188 HB2 PHE 72 HB2 PHE 72 53.407 -2.674 -0.779
189 HB3 PHE 72 HB1 PHE 72 54.069 -3.611 0.557
190 HD1 PHE 72 HD1 PHE 72 53.571 0.001 -0.260
191 HD2 PHE 72 HD2 PHE 72 53.191 -3.121 2.608
192 HE1 PHE 72 HE1 PHE 72 52.590 1.594 1.339
193 HE2 PHE 72 HE2 PHE 72 52.207 -1.533 4.210
194 HZ PHE 72 HZ PHE 72 51.905 0.827 3.576
195 H GLU 73 HN GLU 73 56.722 -4.021 0.955
196 HA GLU 73 HA GLU 73 57.357 -2.441 3.254
197 HB2 GLU 73 HB2 GLU 73 57.595 -5.228 2.434
198 HB3 GLU 73 HB1 GLU 73 59.026 -4.672 3.292
199 HG2 GLU 73 HG2 GLU 73 56.437 -3.965 4.505
200 HG3 GLU 73 HG1 GLU 73 56.855 -5.678 4.499
201 H ASP 74 HN ASP 74 58.976 -3.472 0.324
202 HA ASP 74 HA ASP 74 61.562 -2.560 1.073
203 HB2 ASP 74 HB2 ASP 74 60.992 -4.237 -0.770
204 HB3 ASP 74 HB1 ASP 74 60.559 -2.843 -1.757
205 H HIS 75 HN HIS 75 58.934 -1.197 -0.852
206 HA HIS 75 HA HIS 75 60.141 1.160 -1.678
207 HB2 HIS 75 HB2 HIS 75 57.986 0.478 -2.552
208 HB3 HIS 75 HB1 HIS 75 57.253 0.632 -0.959
209 HD1 HIS 75 HD1 HIS 75 57.743 2.486 -4.034
210 HD2 HIS 75 HD2 HIS 75 57.324 3.425 -0.002
211 HE1 HIS 75 HE1 HIS 75 57.113 4.935 -3.928
212 H VAL 76 HN VAL 76 58.117 0.642 1.192
213 HA VAL 76 HA VAL 76 58.447 3.183 2.325
214 HB VAL 76 HB VAL 76 58.045 0.548 3.760
215 HG11 VAL 76 HG11 VAL 76 56.786 2.572 5.187
216 HG12 VAL 76 HG12 VAL 76 58.339 3.263 4.721
217 HG13 VAL 76 HG13 VAL 76 58.282 1.748 5.622
218 HG21 VAL 76 HG21 VAL 76 55.676 2.113 3.628
219 HG22 VAL 76 HG22 VAL 76 55.986 0.523 2.931
220 HG23 VAL 76 HG23 VAL 76 56.335 1.977 1.998
221 H PHE 77 HN PHE 77 60.373 0.263 2.461
222 HA PHE 77 HA PHE 77 62.165 0.930 4.488
223 HB2 PHE 77 HB2 PHE 77 61.906 -1.138 2.630
224 HB3 PHE 77 HB1 PHE 77 63.474 -0.424 2.269
225 HD1 PHE 77 HD2 PHE 77 61.479 -2.199 4.770
226 HD2 PHE 77 HD1 PHE 77 65.292 -0.553 3.841
227 HE1 PHE 77 HE2 PHE 77 62.467 -3.431 6.657
228 HE2 PHE 77 HE1 PHE 77 66.287 -1.784 5.725
229 HZ PHE 77 HZ PHE 77 64.873 -3.224 7.136
230 H CYS 78 HN CYS 78 61.974 1.931 1.140
231 HA CYS 78 HA CYS 78 64.527 3.117 0.987
232 HB2 CYS 78 HB2 CYS 78 62.600 2.633 -0.845
233 HB3 CYS 78 HB1 CYS 78 62.337 4.353 -0.578
234 HG CYS 78 HG CYS 78 64.832 4.742 -1.346
235 H HIS 79 HN HIS 79 61.341 4.437 1.756
236 HA HIS 79 HA HIS 79 62.216 7.077 2.252
237 HB2 HIS 79 HB2 HIS 79 59.864 5.521 3.346
238 HB3 HIS 79 HB1 HIS 79 60.130 7.229 3.669
239 HD1 HIS 79 HD1 HIS 79 60.015 8.832 1.488
240 HD2 HIS 79 HD2 HIS 79 58.611 4.951 1.033
241 HE1 HIS 79 HE1 HIS 79 58.608 8.829 -0.615
242 H SER 80 HN SER 80 62.636 4.128 3.911
243 HA SER 80 HA SER 80 62.971 5.215 6.544
244 HB2 SER 80 HB2 SER 80 62.453 2.735 5.694
245 HB3 SER 80 HB1 SER 80 64.208 2.610 5.822
246 HG SER 80 HG SER 80 62.676 2.208 7.756
247 H LEU 81 HN LEU 81 64.913 5.064 3.760
248 HA LEU 81 HA LEU 81 67.444 4.980 5.085
249 HB2 LEU 81 HB2 LEU 81 66.789 5.865 2.283
250 HB3 LEU 81 HB1 LEU 81 68.382 5.453 2.897
251 HG LEU 81 HG LEU 81 66.227 3.420 3.102
252 HD11 LEU 81 HD11 LEU 81 66.553 2.654 0.856
253 HD12 LEU 81 HD12 LEU 81 67.788 3.878 0.561
254 HD13 LEU 81 HD13 LEU 81 66.106 4.358 0.786
255 HD21 LEU 81 HD21 LEU 81 68.793 3.400 3.846
256 HD22 LEU 81 HD22 LEU 81 68.978 2.824 2.189
257 HD23 LEU 81 HD23 LEU 81 67.940 1.952 3.316
Start of MODEL 11
1 H1 GLN 49 HT1 GLN 49 38.380 2.400 4.344
2 H2 GLN 49 HT2 GLN 49 37.374 3.715 4.795
3 H3 GLN 49 HT3 GLN 49 37.710 2.463 5.919
4 HA GLN 49 HA GLN 49 39.543 4.491 4.844
5 HB2 GLN 49 HB2 GLN 49 39.745 5.087 7.213
6 HB3 GLN 49 HB1 GLN 49 38.069 5.168 6.685
7 HG2 GLN 49 HG2 GLN 49 38.617 2.553 7.696
8 HG3 GLN 49 HG1 GLN 49 39.143 3.760 8.869
9 HE21 GLN 49 HE21 GLN 49 36.479 3.944 6.566
10 HE22 GLN 49 HE22 GLN 49 35.227 4.082 7.749
11 H MET 50 HN MET 50 40.426 2.258 3.927
12 HA MET 50 HA MET 50 42.851 1.761 5.241
13 HB2 MET 50 HB2 MET 50 40.930 0.459 6.587
14 HB3 MET 50 HB1 MET 50 41.270 -0.749 5.354
15 HG2 MET 50 HG2 MET 50 43.628 0.407 6.672
16 HG3 MET 50 HG1 MET 50 42.575 -0.564 7.701
17 HE1 MET 50 HE1 MET 50 45.906 -2.270 6.507
18 HE2 MET 50 HE2 MET 50 44.843 -2.929 7.752
19 HE3 MET 50 HE3 MET 50 45.154 -1.195 7.687
20 H GLN 51 HN GLN 51 40.380 0.462 3.093
21 HA GLN 51 HA GLN 51 40.481 -0.457 1.015
22 HB2 GLN 51 HB2 GLN 51 43.269 0.684 0.836
23 HB3 GLN 51 HB1 GLN 51 42.172 0.318 -0.488
24 HG2 GLN 51 HG2 GLN 51 41.182 2.302 -0.348
25 HG3 GLN 51 HG1 GLN 51 41.026 2.194 1.405
26 HE21 GLN 51 HE21 GLN 51 42.535 3.154 2.701
27 HE22 GLN 51 HE22 GLN 51 43.779 4.195 2.104
28 HA PRO 52 HA PRO 52 42.945 -3.988 2.916
29 HB2 PRO 52 HB2 PRO 52 40.496 -5.378 1.965
30 HB3 PRO 52 HB1 PRO 52 41.366 -5.546 3.494
31 HG2 PRO 52 HG2 PRO 52 39.040 -4.249 3.383
32 HG3 PRO 52 HG1 PRO 52 40.357 -3.679 4.427
33 HD2 PRO 52 HD2 PRO 52 39.434 -2.620 1.789
34 HD3 PRO 52 HD1 PRO 52 40.011 -1.740 3.219
35 H LEU 53 HN LEU 53 43.474 -6.101 1.814
36 HA LEU 53 HA LEU 53 44.372 -7.211 0.044
37 HB2 LEU 53 HB2 LEU 53 41.771 -6.844 -0.568
38 HB3 LEU 53 HB1 LEU 53 42.512 -5.998 -1.912
39 HG LEU 53 HG LEU 53 43.563 -8.706 -1.327
40 HD11 LEU 53 HD11 LEU 53 41.547 -9.417 -2.931
41 HD12 LEU 53 HD12 LEU 53 40.738 -8.156 -1.999
42 HD13 LEU 53 HD13 LEU 53 41.464 -9.536 -1.173
43 HD21 LEU 53 HD21 LEU 53 43.537 -8.801 -3.803
44 HD22 LEU 53 HD22 LEU 53 44.464 -7.442 -3.167
45 HD23 LEU 53 HD23 LEU 53 42.851 -7.177 -3.826
46 H CYS 54 HN CYS 54 45.393 -4.602 0.701
47 HA CYS 54 HA CYS 54 46.997 -4.160 -1.622
48 HB2 CYS 54 HB2 CYS 54 44.713 -2.355 -1.047
49 HB3 CYS 54 HB1 CYS 54 46.239 -1.577 -1.451
50 HG CYS 54 HG CYS 54 45.559 -1.942 -3.771
51 H PHE 55 HN PHE 55 48.187 -1.837 -1.170
52 HA PHE 55 HA PHE 55 48.734 -1.471 1.653
53 HB2 PHE 55 HB2 PHE 55 50.670 -2.741 -0.248
54 HB3 PHE 55 HB1 PHE 55 51.278 -1.702 1.037
55 HD1 PHE 55 HD1 PHE 55 49.967 -2.257 3.390
56 HD2 PHE 55 HD2 PHE 55 50.783 -4.974 0.217
57 HE1 PHE 55 HE1 PHE 55 49.839 -4.137 4.972
58 HE2 PHE 55 HE2 PHE 55 50.657 -6.859 1.794
59 HZ PHE 55 HZ PHE 55 50.183 -6.441 4.175
60 H ASN 56 HN ASN 56 48.875 0.646 1.974
61 HA ASN 56 HA ASN 56 49.712 2.350 -0.273
62 HB2 ASN 56 HB2 ASN 56 48.149 3.197 2.169
63 HB3 ASN 56 HB1 ASN 56 48.402 4.117 0.688
64 HD21 ASN 56 HD21 ASN 56 46.472 4.311 -0.206
65 HD22 ASN 56 HD22 ASN 56 45.374 3.016 -0.525
66 H CYS 57 HN CYS 57 51.420 3.671 -0.102
67 HA CYS 57 HA CYS 57 53.179 3.375 2.151
68 HB2 CYS 57 HB2 CYS 57 54.128 3.509 -0.078
69 HB3 CYS 57 HB1 CYS 57 53.369 5.072 -0.345
70 HA PRO 58 HA PRO 58 51.244 6.882 4.210
71 HB2 PRO 58 HB2 PRO 58 52.602 6.680 6.535
72 HB3 PRO 58 HB1 PRO 58 51.274 5.590 6.114
73 HG2 PRO 58 HG2 PRO 58 54.229 5.146 5.902
74 HG3 PRO 58 HG1 PRO 58 52.973 4.046 6.500
75 HD2 PRO 58 HD2 PRO 58 54.019 3.873 3.998
76 HD3 PRO 58 HD1 PRO 58 52.349 3.406 4.379
77 H ILE 59 HN ILE 59 54.404 6.585 3.070
78 HA ILE 59 HA ILE 59 55.319 9.087 4.241
79 HB ILE 59 HB ILE 59 56.762 7.333 2.256
80 HG12 ILE 59 HG12 ILE 59 57.856 7.197 4.897
81 HG13 ILE 59 HG11 ILE 59 56.136 6.833 4.990
82 HG21 ILE 59 HG21 ILE 59 57.504 9.731 3.872
83 HG22 ILE 59 HG22 ILE 59 57.850 9.365 2.183
84 HG23 ILE 59 HG23 ILE 59 58.734 8.536 3.465
85 HD11 ILE 59 HD11 ILE 59 57.308 5.443 2.780
86 HD12 ILE 59 HD12 ILE 59 56.482 4.801 4.199
87 HD13 ILE 59 HD13 ILE 59 58.216 5.120 4.257
88 H CYS 60 HN CYS 60 54.878 7.779 0.919
89 HA CYS 60 HA CYS 60 54.572 10.580 0.048
90 HB2 CYS 60 HB2 CYS 60 55.533 10.064 -2.050
91 HB3 CYS 60 HB1 CYS 60 56.578 9.328 -0.842
92 H ASP 61 HN ASP 61 52.974 7.617 0.384
93 HA ASP 61 HA ASP 61 50.674 7.343 0.160
94 HB2 ASP 61 HB2 ASP 61 50.623 9.836 -0.582
95 HB3 ASP 61 HB1 ASP 61 50.562 9.171 -2.211
96 H LYS 62 HN LYS 62 53.151 6.439 -1.664
97 HA LYS 62 HA LYS 62 51.946 5.502 -4.048
98 HB2 LYS 62 HB2 LYS 62 54.522 5.450 -2.934
99 HB3 LYS 62 HB1 LYS 62 54.082 3.767 -3.163
100 HG2 LYS 62 HG2 LYS 62 53.680 5.732 -5.375
101 HG3 LYS 62 HG1 LYS 62 55.277 5.048 -5.066
102 HD2 LYS 62 HD2 LYS 62 54.174 2.771 -5.167
103 HD3 LYS 62 HD1 LYS 62 52.743 3.594 -5.791
104 HE2 LYS 62 HE2 LYS 62 55.272 4.270 -7.132
105 HE3 LYS 62 HE1 LYS 62 54.736 2.604 -7.335
106 HZ1 LYS 62 HZ1 LYS 62 52.979 3.226 -8.575
107 HZ2 LYS 62 HZ2 LYS 62 53.921 4.596 -8.884
108 HZ3 LYS 62 HZ3 LYS 62 52.709 4.653 -7.706
109 H ILE 63 HN ILE 63 50.523 3.908 -4.338
110 HA ILE 63 HA ILE 63 50.189 1.947 -2.168
111 HB ILE 63 HB ILE 63 48.143 2.652 -4.266
112 HG12 ILE 63 HG12 ILE 63 48.168 3.620 -1.407
113 HG13 ILE 63 HG11 ILE 63 48.828 4.572 -2.732
114 HG21 ILE 63 HG21 ILE 63 48.076 1.051 -1.724
115 HG22 ILE 63 HG22 ILE 63 47.668 0.533 -3.359
116 HG23 ILE 63 HG23 ILE 63 46.614 1.658 -2.502
117 HD11 ILE 63 HD11 ILE 63 46.002 3.562 -2.703
118 HD12 ILE 63 HD12 ILE 63 46.712 4.792 -3.749
119 HD13 ILE 63 HD13 ILE 63 46.479 5.122 -2.033
120 H PHE 64 HN PHE 64 49.830 -0.227 -2.653
121 HA PHE 64 HA PHE 64 50.213 -1.121 -5.401
122 HB2 PHE 64 HB2 PHE 64 51.774 -2.656 -3.408
123 HB3 PHE 64 HB1 PHE 64 52.151 -2.278 -5.083
124 HD1 PHE 64 HD1 PHE 64 51.894 -0.608 -1.759
125 HD2 PHE 64 HD2 PHE 64 53.864 -0.822 -5.524
126 HE1 PHE 64 HE1 PHE 64 53.514 1.084 -1.003
127 HE2 PHE 64 HE2 PHE 64 55.487 0.869 -4.777
128 HZ PHE 64 HZ PHE 64 55.315 1.820 -2.512
129 HA PRO 65 HA PRO 65 47.285 -4.235 -4.319
130 HB2 PRO 65 HB2 PRO 65 48.254 -6.498 -5.483
131 HB3 PRO 65 HB1 PRO 65 47.514 -5.180 -6.399
132 HG2 PRO 65 HG2 PRO 65 50.410 -5.787 -5.957
133 HG3 PRO 65 HG1 PRO 65 49.587 -5.281 -7.443
134 HD2 PRO 65 HD2 PRO 65 50.998 -3.557 -5.916
135 HD3 PRO 65 HD1 PRO 65 49.553 -3.059 -6.818
136 H ALA 66 HN ALA 66 46.882 -6.131 -3.039
137 HA ALA 66 HA ALA 66 48.384 -6.302 -0.710
138 HB1 ALA 66 HB1 ALA 66 46.157 -7.801 -1.901
139 HB2 ALA 66 HB2 ALA 66 46.358 -7.167 -0.267
140 HB3 ALA 66 HB3 ALA 66 47.113 -8.696 -0.719
141 H THR 67 HN THR 67 48.704 -8.046 -3.718
142 HA THR 67 HA THR 67 50.475 -10.047 -2.662
143 HB THR 67 HB THR 67 50.890 -10.263 -5.287
144 HG1 THR 67 HG1 THR 67 49.118 -9.542 -6.435
145 HG21 THR 67 HG21 THR 67 49.335 -11.617 -3.505
146 HG22 THR 67 HG22 THR 67 49.569 -12.051 -5.198
147 HG23 THR 67 HG23 THR 67 48.161 -11.105 -4.717
148 H GLU 68 HN GLU 68 50.874 -6.815 -3.296
149 HA GLU 68 HA GLU 68 53.634 -7.092 -4.193
150 HB2 GLU 68 HB2 GLU 68 51.579 -5.035 -4.427
151 HB3 GLU 68 HB1 GLU 68 53.135 -4.383 -3.934
152 HG2 GLU 68 HG2 GLU 68 53.889 -6.018 -5.951
153 HG3 GLU 68 HG1 GLU 68 52.288 -5.524 -6.499
154 H LYS 69 HN LYS 69 52.757 -7.818 -1.484
155 HA LYS 69 HA LYS 69 53.398 -5.895 0.429
156 HB2 LYS 69 HB2 LYS 69 53.862 -7.832 1.927
157 HB3 LYS 69 HB1 LYS 69 52.326 -7.947 1.079
158 HG2 LYS 69 HG2 LYS 69 53.059 -10.060 0.744
159 HG3 LYS 69 HG1 LYS 69 53.828 -9.297 -0.649
160 HD2 LYS 69 HD2 LYS 69 55.657 -10.344 0.190
161 HD3 LYS 69 HD1 LYS 69 55.740 -8.882 1.173
162 HE2 LYS 69 HE2 LYS 69 54.848 -9.951 3.048
163 HE3 LYS 69 HE1 LYS 69 54.204 -11.286 2.093
164 HZ1 LYS 69 HZ1 LYS 69 56.377 -12.144 1.767
165 HZ2 LYS 69 HZ2 LYS 69 56.224 -11.823 3.422
166 HZ3 LYS 69 HZ3 LYS 69 57.105 -10.770 2.435
167 H GLN 70 HN GLN 70 55.441 -7.936 -1.534
168 HA GLN 70 HA GLN 70 57.841 -7.602 -0.081
169 HB2 GLN 70 HB2 GLN 70 57.304 -9.296 -1.940
170 HB3 GLN 70 HB1 GLN 70 57.709 -8.002 -3.059
171 HG2 GLN 70 HG2 GLN 70 59.772 -8.840 -2.940
172 HG3 GLN 70 HG1 GLN 70 59.863 -7.960 -1.416
173 HE21 GLN 70 HE21 GLN 70 60.698 -9.123 0.147
174 HE22 GLN 70 HE22 GLN 70 60.497 -10.823 0.380
175 H ILE 71 HN ILE 71 56.558 -5.933 -2.925
176 HA ILE 71 HA ILE 71 58.694 -4.067 -3.106
177 HB ILE 71 HB ILE 71 55.894 -3.805 -4.211
178 HG12 ILE 71 HG12 ILE 71 57.386 -4.502 -6.335
179 HG13 ILE 71 HG11 ILE 71 58.280 -5.349 -5.077
180 HG21 ILE 71 HG21 ILE 71 56.865 -2.248 -5.794
181 HG22 ILE 71 HG22 ILE 71 58.460 -2.476 -5.076
182 HG23 ILE 71 HG23 ILE 71 57.176 -1.703 -4.145
183 HD11 ILE 71 HD11 ILE 71 55.863 -6.095 -6.369
184 HD12 ILE 71 HD12 ILE 71 55.548 -5.880 -4.648
185 HD13 ILE 71 HD13 ILE 71 56.811 -6.990 -5.181
186 H PHE 72 HN PHE 72 55.654 -4.138 -1.386
187 HA PHE 72 HA PHE 72 55.488 -1.386 -0.767
188 HB2 PHE 72 HB2 PHE 72 53.543 -2.806 -0.537
189 HB3 PHE 72 HB1 PHE 72 54.366 -3.808 0.652
190 HD1 PHE 72 HD1 PHE 72 54.228 -0.103 0.408
191 HD2 PHE 72 HD2 PHE 72 53.089 -3.585 2.575
192 HE1 PHE 72 HE1 PHE 72 53.338 1.314 2.212
193 HE2 PHE 72 HE2 PHE 72 52.196 -2.174 4.381
194 HZ PHE 72 HZ PHE 72 52.320 0.279 4.201
195 H GLU 73 HN GLU 73 57.083 -4.102 0.797
196 HA GLU 73 HA GLU 73 57.816 -2.635 3.142
197 HB2 GLU 73 HB2 GLU 73 58.872 -5.239 2.022
198 HB3 GLU 73 HB1 GLU 73 59.278 -4.591 3.606
199 HG2 GLU 73 HG2 GLU 73 56.442 -4.671 3.340
200 HG3 GLU 73 HG1 GLU 73 57.107 -6.240 2.891
201 H ASP 74 HN ASP 74 59.322 -3.465 0.082
202 HA ASP 74 HA ASP 74 61.882 -2.437 0.743
203 HB2 ASP 74 HB2 ASP 74 60.548 -3.484 -1.669
204 HB3 ASP 74 HB1 ASP 74 61.821 -2.306 -1.977
205 H HIS 75 HN HIS 75 59.044 -1.138 -0.883
206 HA HIS 75 HA HIS 75 60.111 1.290 -1.740
207 HB2 HIS 75 HB2 HIS 75 57.938 0.489 -2.502
208 HB3 HIS 75 HB1 HIS 75 57.290 0.639 -0.871
209 HD1 HIS 75 HD1 HIS 75 57.427 2.440 -3.976
210 HD2 HIS 75 HD2 HIS 75 57.466 3.467 0.055
211 HE1 HIS 75 HE1 HIS 75 56.797 4.890 -3.852
212 H VAL 76 HN VAL 76 58.271 0.588 1.217
213 HA VAL 76 HA VAL 76 58.562 3.122 2.392
214 HB VAL 76 HB VAL 76 58.301 0.459 3.805
215 HG11 VAL 76 HG11 VAL 76 56.988 2.363 5.299
216 HG12 VAL 76 HG12 VAL 76 58.432 3.212 4.746
217 HG13 VAL 76 HG13 VAL 76 58.586 1.700 5.641
218 HG21 VAL 76 HG21 VAL 76 56.064 0.468 3.436
219 HG22 VAL 76 HG22 VAL 76 56.549 1.365 1.998
220 HG23 VAL 76 HG23 VAL 76 55.962 2.229 3.420
221 H PHE 77 HN PHE 77 60.577 0.260 2.385
222 HA PHE 77 HA PHE 77 62.413 0.927 4.371
223 HB2 PHE 77 HB2 PHE 77 62.253 -1.266 3.106
224 HB3 PHE 77 HB1 PHE 77 63.111 -0.476 1.787
225 HD1 PHE 77 HD2 PHE 77 63.397 -1.281 5.403
226 HD2 PHE 77 HD1 PHE 77 65.429 -0.446 1.758
227 HE1 PHE 77 HE2 PHE 77 65.540 -1.839 6.475
228 HE2 PHE 77 HE1 PHE 77 67.576 -1.003 2.823
229 HZ PHE 77 HZ PHE 77 67.633 -1.700 5.185
230 H CYS 78 HN CYS 78 62.140 1.969 1.031
231 HA CYS 78 HA CYS 78 64.647 3.244 0.875
232 HB2 CYS 78 HB2 CYS 78 62.214 3.138 -0.744
233 HB3 CYS 78 HB1 CYS 78 63.019 4.701 -0.819
234 HG CYS 78 HG CYS 78 64.377 3.612 -2.547
235 H HIS 79 HN HIS 79 61.433 4.447 1.719
236 HA HIS 79 HA HIS 79 62.233 7.110 2.223
237 HB2 HIS 79 HB2 HIS 79 59.951 5.466 3.336
238 HB3 HIS 79 HB1 HIS 79 60.170 7.175 3.692
239 HD1 HIS 79 HD1 HIS 79 59.969 8.818 1.547
240 HD2 HIS 79 HD2 HIS 79 58.671 4.909 1.036
241 HE1 HIS 79 HE1 HIS 79 58.512 8.821 -0.521
242 H SER 80 HN SER 80 62.771 4.159 3.842
243 HA SER 80 HA SER 80 63.131 5.229 6.478
244 HB2 SER 80 HB2 SER 80 62.619 2.766 5.699
245 HB3 SER 80 HB1 SER 80 64.377 2.651 5.623
246 HG SER 80 HG SER 80 64.353 3.450 7.838
247 H LEU 81 HN LEU 81 65.029 5.145 3.654
248 HA LEU 81 HA LEU 81 67.582 5.130 4.939
249 HB2 LEU 81 HB2 LEU 81 66.865 6.008 2.150
250 HB3 LEU 81 HB1 LEU 81 68.476 5.632 2.742
251 HG LEU 81 HG LEU 81 66.373 3.547 2.969
252 HD11 LEU 81 HD11 LEU 81 67.906 3.960 0.410
253 HD12 LEU 81 HD12 LEU 81 66.261 4.554 0.642
254 HD13 LEU 81 HD13 LEU 81 66.595 2.824 0.727
255 HD21 LEU 81 HD21 LEU 81 68.153 2.072 2.967
256 HD22 LEU 81 HD22 LEU 81 68.839 3.478 3.782
257 HD23 LEU 81 HD23 LEU 81 69.206 3.178 2.083
Start of MODEL 12
1 H1 GLN 49 HT1 GLN 49 38.436 -5.917 10.399
2 H2 GLN 49 HT2 GLN 49 39.308 -4.773 9.463
3 H3 GLN 49 HT3 GLN 49 38.225 -5.863 8.698
4 HA GLN 49 HA GLN 49 36.457 -4.843 10.128
5 HB2 GLN 49 HB2 GLN 49 38.633 -2.747 10.306
6 HB3 GLN 49 HB1 GLN 49 36.970 -2.534 10.835
7 HG2 GLN 49 HG2 GLN 49 37.962 -4.863 12.089
8 HG3 GLN 49 HG1 GLN 49 39.182 -3.603 12.265
9 HE21 GLN 49 HE21 GLN 49 38.859 -3.352 14.450
10 HE22 GLN 49 HE22 GLN 49 37.433 -2.636 15.112
11 H MET 50 HN MET 50 38.826 -3.828 7.758
12 HA MET 50 HA MET 50 36.955 -3.540 5.694
13 HB2 MET 50 HB2 MET 50 37.477 -1.128 7.307
14 HB3 MET 50 HB1 MET 50 37.608 -0.903 5.568
15 HG2 MET 50 HG2 MET 50 35.283 -2.277 5.733
16 HG3 MET 50 HG1 MET 50 35.248 -1.371 7.244
17 HE1 MET 50 HE1 MET 50 35.267 1.742 7.033
18 HE2 MET 50 HE2 MET 50 36.248 2.145 5.624
19 HE3 MET 50 HE3 MET 50 36.816 0.939 6.779
20 H GLN 51 HN GLN 51 39.957 -2.072 6.871
21 HA GLN 51 HA GLN 51 42.041 -1.917 5.977
22 HB2 GLN 51 HB2 GLN 51 40.964 -4.388 4.699
23 HB3 GLN 51 HB1 GLN 51 42.469 -3.721 4.083
24 HG2 GLN 51 HG2 GLN 51 42.960 -3.699 6.741
25 HG3 GLN 51 HG1 GLN 51 41.905 -5.105 6.607
26 HE21 GLN 51 HE21 GLN 51 45.022 -3.845 6.084
27 HE22 GLN 51 HE22 GLN 51 45.727 -5.249 5.369
28 HA PRO 52 HA PRO 52 41.573 0.711 2.456
29 HB2 PRO 52 HB2 PRO 52 44.156 1.047 1.745
30 HB3 PRO 52 HB1 PRO 52 43.477 1.768 3.210
31 HG2 PRO 52 HG2 PRO 52 45.116 -0.720 2.908
32 HG3 PRO 52 HG1 PRO 52 45.244 0.563 4.125
33 HD2 PRO 52 HD2 PRO 52 43.997 -1.804 4.602
34 HD3 PRO 52 HD1 PRO 52 43.516 -0.286 5.384
35 H LEU 53 HN LEU 53 42.804 -2.460 2.228
36 HA LEU 53 HA LEU 53 42.888 -3.966 0.527
37 HB2 LEU 53 HB2 LEU 53 40.698 -2.656 -0.030
38 HB3 LEU 53 HB1 LEU 53 41.648 -1.985 -1.343
39 HG LEU 53 HG LEU 53 41.914 -4.856 -1.299
40 HD11 LEU 53 HD11 LEU 53 39.564 -5.350 -1.972
41 HD12 LEU 53 HD12 LEU 53 39.112 -3.754 -1.371
42 HD13 LEU 53 HD13 LEU 53 39.764 -4.961 -0.263
43 HD21 LEU 53 HD21 LEU 53 42.432 -3.813 -3.295
44 HD22 LEU 53 HD22 LEU 53 41.035 -2.738 -3.216
45 HD23 LEU 53 HD23 LEU 53 40.816 -4.441 -3.615
46 H CYS 54 HN CYS 54 44.825 -1.559 0.828
47 HA CYS 54 HA CYS 54 46.793 -2.364 -0.909
48 HB2 CYS 54 HB2 CYS 54 46.723 -0.378 -2.551
49 HB3 CYS 54 HB1 CYS 54 45.626 -1.722 -2.845
50 HG CYS 54 HG CYS 54 43.664 -0.267 -2.355
51 H PHE 55 HN PHE 55 48.308 -0.261 -1.448
52 HA PHE 55 HA PHE 55 48.265 1.608 0.777
53 HB2 PHE 55 HB2 PHE 55 50.160 -0.644 0.530
54 HB3 PHE 55 HB1 PHE 55 50.892 0.919 0.880
55 HD1 PHE 55 HD1 PHE 55 49.415 2.276 2.737
56 HD2 PHE 55 HD2 PHE 55 49.757 -1.949 2.359
57 HE1 PHE 55 HE1 PHE 55 48.829 2.019 5.113
58 HE2 PHE 55 HE2 PHE 55 49.172 -2.214 4.734
59 HZ PHE 55 HZ PHE 55 48.706 -0.228 6.115
60 H ASN 56 HN ASN 56 49.746 3.390 0.496
61 HA ASN 56 HA ASN 56 50.701 3.691 -2.274
62 HB2 ASN 56 HB2 ASN 56 48.573 5.063 -1.226
63 HB3 ASN 56 HB1 ASN 56 49.901 6.176 -0.917
64 HD21 ASN 56 HD21 ASN 56 47.670 5.108 -3.157
65 HD22 ASN 56 HD22 ASN 56 48.341 5.843 -4.570
66 H CYS 57 HN CYS 57 52.741 4.359 -2.501
67 HA CYS 57 HA CYS 57 54.403 4.653 -0.192
68 HB2 CYS 57 HB2 CYS 57 55.252 3.553 -2.192
69 HB3 CYS 57 HB1 CYS 57 54.999 5.014 -3.133
70 HA PRO 58 HA PRO 58 53.771 9.084 0.018
71 HB2 PRO 58 HB2 PRO 58 55.113 9.535 2.292
72 HB3 PRO 58 HB1 PRO 58 53.554 8.701 2.284
73 HG2 PRO 58 HG2 PRO 58 56.314 7.556 2.470
74 HG3 PRO 58 HG1 PRO 58 54.856 7.116 3.378
75 HD2 PRO 58 HD2 PRO 58 55.780 5.727 1.201
76 HD3 PRO 58 HD1 PRO 58 54.081 5.757 1.707
77 H ILE 59 HN ILE 59 56.430 7.596 -1.105
78 HA ILE 59 HA ILE 59 58.083 10.027 -0.984
79 HB ILE 59 HB ILE 59 59.068 7.266 -1.682
80 HG12 ILE 59 HG12 ILE 59 60.150 7.790 0.752
81 HG13 ILE 59 HG11 ILE 59 58.575 8.553 0.935
82 HG21 ILE 59 HG21 ILE 59 61.245 8.469 -0.898
83 HG22 ILE 59 HG22 ILE 59 60.334 9.935 -1.255
84 HG23 ILE 59 HG23 ILE 59 60.622 8.746 -2.524
85 HD11 ILE 59 HD11 ILE 59 58.963 5.711 0.043
86 HD12 ILE 59 HD12 ILE 59 57.453 6.501 0.496
87 HD13 ILE 59 HD13 ILE 59 58.690 6.198 1.716
88 H CYS 60 HN CYS 60 57.290 7.310 -3.203
89 HA CYS 60 HA CYS 60 57.701 9.222 -5.414
90 HB2 CYS 60 HB2 CYS 60 58.378 7.449 -6.831
91 HB3 CYS 60 HB1 CYS 60 59.236 7.218 -5.313
92 H ASP 61 HN ASP 61 55.332 7.583 -3.731
93 HA ASP 61 HA ASP 61 53.061 7.683 -4.013
94 HB2 ASP 61 HB2 ASP 61 53.415 8.291 -6.943
95 HB3 ASP 61 HB1 ASP 61 52.020 8.613 -5.921
96 H LYS 62 HN LYS 62 55.108 5.483 -4.909
97 HA LYS 62 HA LYS 62 53.757 3.889 -6.800
98 HB2 LYS 62 HB2 LYS 62 56.038 3.578 -4.993
99 HB3 LYS 62 HB1 LYS 62 55.149 2.085 -5.248
100 HG2 LYS 62 HG2 LYS 62 55.864 3.715 -7.625
101 HG3 LYS 62 HG1 LYS 62 57.134 2.790 -6.821
102 HD2 LYS 62 HD2 LYS 62 55.694 0.766 -7.016
103 HD3 LYS 62 HD1 LYS 62 54.552 1.723 -7.962
104 HE2 LYS 62 HE2 LYS 62 57.330 1.863 -8.895
105 HE3 LYS 62 HE1 LYS 62 56.602 0.260 -9.000
106 HZ1 LYS 62 HZ1 LYS 62 55.201 2.648 -10.030
107 HZ2 LYS 62 HZ2 LYS 62 54.948 1.023 -10.425
108 HZ3 LYS 62 HZ3 LYS 62 56.333 1.821 -10.977
109 H ILE 63 HN ILE 63 52.112 2.468 -6.613
110 HA ILE 63 HA ILE 63 50.852 2.234 -3.978
111 HB ILE 63 HB ILE 63 49.683 1.434 -6.639
112 HG12 ILE 63 HG12 ILE 63 48.526 3.824 -5.530
113 HG13 ILE 63 HG11 ILE 63 50.263 4.044 -5.719
114 HG21 ILE 63 HG21 ILE 63 48.598 0.381 -4.767
115 HG22 ILE 63 HG22 ILE 63 47.543 1.636 -5.416
116 HG23 ILE 63 HG23 ILE 63 48.452 1.928 -3.934
117 HD11 ILE 63 HD11 ILE 63 49.604 2.911 -8.096
118 HD12 ILE 63 HD12 ILE 63 49.730 4.646 -7.800
119 HD13 ILE 63 HD13 ILE 63 48.156 3.852 -7.734
120 H PHE 64 HN PHE 64 50.044 0.208 -3.233
121 HA PHE 64 HA PHE 64 51.097 -2.199 -4.502
122 HB2 PHE 64 HB2 PHE 64 51.776 -1.272 -1.718
123 HB3 PHE 64 HB1 PHE 64 51.855 -2.970 -2.172
124 HD1 PHE 64 HD2 PHE 64 53.292 0.363 -2.748
125 HD2 PHE 64 HD1 PHE 64 53.626 -3.808 -3.520
126 HE1 PHE 64 HE2 PHE 64 55.569 0.710 -3.614
127 HE2 PHE 64 HE1 PHE 64 55.904 -3.470 -4.385
128 HZ PHE 64 HZ PHE 64 56.877 -1.208 -4.433
129 HA PRO 65 HA PRO 65 47.193 -3.801 -3.181
130 HB2 PRO 65 HB2 PRO 65 47.707 -6.459 -3.135
131 HB3 PRO 65 HB1 PRO 65 47.558 -5.545 -4.640
132 HG2 PRO 65 HG2 PRO 65 50.019 -6.431 -3.197
133 HG3 PRO 65 HG1 PRO 65 49.679 -6.439 -4.935
134 HD2 PRO 65 HD2 PRO 65 51.189 -4.524 -3.718
135 HD3 PRO 65 HD1 PRO 65 50.228 -4.222 -5.180
136 H ALA 66 HN ALA 66 46.118 -4.470 -1.347
137 HA ALA 66 HA ALA 66 47.344 -4.095 1.120
138 HB1 ALA 66 HB1 ALA 66 45.193 -5.475 1.876
139 HB2 ALA 66 HB2 ALA 66 44.723 -5.127 0.212
140 HB3 ALA 66 HB3 ALA 66 45.105 -3.805 1.315
141 H THR 67 HN THR 67 47.214 -6.920 -0.861
142 HA THR 67 HA THR 67 47.715 -8.795 1.255
143 HB THR 67 HB THR 67 48.415 -10.150 -0.973
144 HG1 THR 67 HG1 THR 67 48.068 -8.224 -2.242
145 HG21 THR 67 HG21 THR 67 45.505 -9.725 -0.728
146 HG22 THR 67 HG22 THR 67 46.356 -10.327 0.695
147 HG23 THR 67 HG23 THR 67 46.435 -11.220 -0.824
148 H GLU 68 HN GLU 68 49.624 -6.823 -0.876
149 HA GLU 68 HA GLU 68 52.047 -8.249 -0.108
150 HB2 GLU 68 HB2 GLU 68 51.603 -6.093 -2.173
151 HB3 GLU 68 HB1 GLU 68 53.160 -6.827 -1.822
152 HG2 GLU 68 HG2 GLU 68 50.770 -8.409 -2.719
153 HG3 GLU 68 HG1 GLU 68 51.950 -7.719 -3.833
154 H LYS 69 HN LYS 69 50.681 -6.703 1.864
155 HA LYS 69 HA LYS 69 51.608 -4.131 2.273
156 HB2 LYS 69 HB2 LYS 69 49.931 -5.205 3.705
157 HB3 LYS 69 HB1 LYS 69 51.161 -6.283 4.351
158 HG2 LYS 69 HG2 LYS 69 51.720 -3.399 4.590
159 HG3 LYS 69 HG1 LYS 69 50.378 -4.017 5.555
160 HD2 LYS 69 HD2 LYS 69 52.512 -5.861 5.802
161 HD3 LYS 69 HD1 LYS 69 53.187 -4.246 6.026
162 HE2 LYS 69 HE2 LYS 69 50.993 -4.005 7.534
163 HE3 LYS 69 HE1 LYS 69 51.239 -5.745 7.678
164 HZ1 LYS 69 HZ1 LYS 69 53.617 -5.151 8.274
165 HZ2 LYS 69 HZ2 LYS 69 52.434 -4.812 9.435
166 HZ3 LYS 69 HZ3 LYS 69 53.067 -3.565 8.483
167 H GLN 70 HN GLN 70 53.284 -7.158 2.562
168 HA GLN 70 HA GLN 70 55.474 -6.239 4.117
169 HB2 GLN 70 HB2 GLN 70 56.618 -8.290 3.263
170 HB3 GLN 70 HB1 GLN 70 55.051 -8.598 3.997
171 HG2 GLN 70 HG2 GLN 70 54.027 -8.935 1.895
172 HG3 GLN 70 HG1 GLN 70 55.427 -8.298 1.033
173 HE21 GLN 70 HE21 GLN 70 57.488 -9.527 1.434
174 HE22 GLN 70 HE22 GLN 70 57.374 -11.251 1.462
175 H ILE 71 HN ILE 71 54.847 -6.438 0.659
176 HA ILE 71 HA ILE 71 57.462 -5.634 -0.142
177 HB ILE 71 HB ILE 71 54.913 -5.372 -1.739
178 HG12 ILE 71 HG12 ILE 71 56.808 -7.721 -1.498
179 HG13 ILE 71 HG11 ILE 71 55.145 -7.665 -0.921
180 HG21 ILE 71 HG21 ILE 71 57.701 -5.821 -2.764
181 HG22 ILE 71 HG22 ILE 71 57.043 -4.206 -2.497
182 HG23 ILE 71 HG23 ILE 71 56.273 -5.292 -3.655
183 HD11 ILE 71 HD11 ILE 71 55.200 -8.896 -2.958
184 HD12 ILE 71 HD12 ILE 71 56.084 -7.606 -3.775
185 HD13 ILE 71 HD13 ILE 71 54.412 -7.350 -3.275
186 H PHE 72 HN PHE 72 54.509 -3.968 0.690
187 HA PHE 72 HA PHE 72 55.249 -1.427 -0.356
188 HB2 PHE 72 HB2 PHE 72 52.915 -1.908 0.057
189 HB3 PHE 72 HB1 PHE 72 53.236 -2.216 1.760
190 HD1 PHE 72 HD2 PHE 72 53.956 0.530 -0.667
191 HD2 PHE 72 HD1 PHE 72 52.477 -0.581 3.164
192 HE1 PHE 72 HE2 PHE 72 53.507 2.894 -0.161
193 HE2 PHE 72 HE1 PHE 72 52.024 1.782 3.679
194 HZ PHE 72 HZ PHE 72 52.540 3.524 2.015
195 H GLU 73 HN GLU 73 55.709 -3.065 2.711
196 HA GLU 73 HA GLU 73 56.684 -0.778 4.113
197 HB2 GLU 73 HB2 GLU 73 56.288 -3.630 4.649
198 HB3 GLU 73 HB1 GLU 73 57.734 -2.981 5.411
199 HG2 GLU 73 HG2 GLU 73 55.938 -2.817 6.958
200 HG3 GLU 73 HG1 GLU 73 56.336 -1.192 6.405
201 H ASP 74 HN ASP 74 58.084 -3.418 2.285
202 HA ASP 74 HA ASP 74 60.782 -2.794 2.887
203 HB2 ASP 74 HB2 ASP 74 59.416 -4.840 1.509
204 HB3 ASP 74 HB1 ASP 74 60.524 -4.122 0.344
205 H HIS 75 HN HIS 75 58.635 -2.049 0.187
206 HA HIS 75 HA HIS 75 60.431 -0.757 -1.488
207 HB2 HIS 75 HB2 HIS 75 58.200 -1.279 -2.246
208 HB3 HIS 75 HB1 HIS 75 57.493 -0.228 -1.023
209 HD1 HIS 75 HD1 HIS 75 58.534 -0.231 -4.501
210 HD2 HIS 75 HD2 HIS 75 58.214 2.593 -1.463
211 HE1 HIS 75 HE1 HIS 75 58.514 2.035 -5.627
212 H VAL 76 HN VAL 76 58.300 0.689 0.956
213 HA VAL 76 HA VAL 76 59.279 3.309 0.766
214 HB VAL 76 HB VAL 76 58.172 1.929 3.219
215 HG11 VAL 76 HG11 VAL 76 58.194 3.892 4.293
216 HG12 VAL 76 HG12 VAL 76 57.642 4.777 2.871
217 HG13 VAL 76 HG13 VAL 76 59.354 4.404 3.068
218 HG21 VAL 76 HG21 VAL 76 56.864 2.133 0.891
219 HG22 VAL 76 HG22 VAL 76 56.482 3.713 1.576
220 HG23 VAL 76 HG23 VAL 76 56.064 2.244 2.458
221 H PHE 77 HN PHE 77 60.328 0.517 2.608
222 HA PHE 77 HA PHE 77 62.206 1.704 4.291
223 HB2 PHE 77 HB2 PHE 77 61.413 -0.900 3.702
224 HB3 PHE 77 HB1 PHE 77 63.111 -0.863 3.242
225 HD1 PHE 77 HD1 PHE 77 61.105 0.594 6.035
226 HD2 PHE 77 HD2 PHE 77 64.471 -1.730 4.862
227 HE1 PHE 77 HE1 PHE 77 61.743 0.335 8.397
228 HE2 PHE 77 HE2 PHE 77 65.116 -1.993 7.222
229 HZ PHE 77 HZ PHE 77 63.751 -0.961 8.992
230 H CYS 78 HN CYS 78 62.326 0.914 0.891
231 HA CYS 78 HA CYS 78 65.119 1.208 0.577
232 HB2 CYS 78 HB2 CYS 78 62.950 0.547 -1.089
233 HB3 CYS 78 HB1 CYS 78 63.677 1.981 -1.803
234 HG CYS 78 HG CYS 78 65.174 -0.715 -1.415
235 H HIS 79 HN HIS 79 62.408 3.426 0.132
236 HA HIS 79 HA HIS 79 63.965 5.667 -0.599
237 HB2 HIS 79 HB2 HIS 79 61.262 5.470 0.748
238 HB3 HIS 79 HB1 HIS 79 61.980 6.994 0.237
239 HD1 HIS 79 HD1 HIS 79 62.290 7.285 -2.419
240 HD2 HIS 79 HD2 HIS 79 59.981 4.066 -1.175
241 HE1 HIS 79 HE1 HIS 79 60.973 6.532 -4.444
242 H SER 80 HN SER 80 63.549 3.965 2.326
243 HA SER 80 HA SER 80 64.141 6.128 4.114
244 HB2 SER 80 HB2 SER 80 63.008 3.710 4.482
245 HB3 SER 80 HB1 SER 80 64.658 3.348 4.990
246 HG SER 80 HG SER 80 64.509 5.053 6.479
247 H LEU 81 HN LEU 81 65.997 4.133 2.081
248 HA LEU 81 HA LEU 81 68.394 4.156 3.633
249 HB2 LEU 81 HB2 LEU 81 68.038 3.621 0.692
250 HB3 LEU 81 HB1 LEU 81 69.449 3.219 1.660
251 HG LEU 81 HG LEU 81 66.816 2.138 2.504
252 HD11 LEU 81 HD11 LEU 81 67.004 1.787 0.021
253 HD12 LEU 81 HD12 LEU 81 66.903 0.310 0.977
254 HD13 LEU 81 HD13 LEU 81 68.457 0.839 0.334
255 HD21 LEU 81 HD21 LEU 81 68.595 0.145 2.752
256 HD22 LEU 81 HD22 LEU 81 68.352 1.385 3.982
257 HD23 LEU 81 HD23 LEU 81 69.687 1.527 2.839
Start of MODEL 13
1 H1 GLN 49 HT1 GLN 49 32.462 -0.635 2.233
2 H2 GLN 49 HT2 GLN 49 33.438 -1.996 1.862
3 H3 GLN 49 HT3 GLN 49 34.156 -0.450 2.056
4 HA GLN 49 HA GLN 49 33.278 -0.469 4.361
5 HB2 GLN 49 HB2 GLN 49 32.562 -3.183 3.363
6 HB3 GLN 49 HB1 GLN 49 33.118 -3.052 5.026
7 HG2 GLN 49 HG2 GLN 49 31.297 -1.812 5.683
8 HG3 GLN 49 HG1 GLN 49 30.976 -1.224 4.053
9 HE21 GLN 49 HE21 GLN 49 29.873 -3.205 6.404
10 HE22 GLN 49 HE22 GLN 49 28.950 -4.314 5.454
11 H MET 50 HN MET 50 35.626 0.042 3.316
12 HA MET 50 HA MET 50 37.875 -0.115 3.615
13 HB2 MET 50 HB2 MET 50 37.275 -2.009 5.884
14 HB3 MET 50 HB1 MET 50 38.680 -0.971 5.691
15 HG2 MET 50 HG2 MET 50 36.575 0.802 5.645
16 HG3 MET 50 HG1 MET 50 36.074 -0.398 6.836
17 HE1 MET 50 HE1 MET 50 36.776 0.733 9.585
18 HE2 MET 50 HE2 MET 50 38.248 -0.234 9.676
19 HE3 MET 50 HE3 MET 50 36.843 -0.849 8.807
20 H GLN 51 HN GLN 51 38.548 -1.148 1.793
21 HA GLN 51 HA GLN 51 38.597 -4.086 1.826
22 HB2 GLN 51 HB2 GLN 51 37.729 -2.383 -0.137
23 HB3 GLN 51 HB1 GLN 51 39.369 -2.735 -0.665
24 HG2 GLN 51 HG2 GLN 51 38.328 -5.205 0.052
25 HG3 GLN 51 HG1 GLN 51 37.000 -4.380 -0.763
26 HE21 GLN 51 HE21 GLN 51 37.932 -3.071 -2.761
27 HE22 GLN 51 HE22 GLN 51 38.880 -4.033 -3.837
28 HA PRO 52 HA PRO 52 42.986 -3.091 2.714
29 HB2 PRO 52 HB2 PRO 52 43.521 -5.491 3.884
30 HB3 PRO 52 HB1 PRO 52 42.809 -4.127 4.753
31 HG2 PRO 52 HG2 PRO 52 41.468 -6.528 3.574
32 HG3 PRO 52 HG1 PRO 52 41.182 -5.741 5.137
33 HD2 PRO 52 HD2 PRO 52 39.575 -5.342 3.003
34 HD3 PRO 52 HD1 PRO 52 39.890 -4.072 4.202
35 H LEU 53 HN LEU 53 43.040 -3.240 0.287
36 HA LEU 53 HA LEU 53 44.442 -5.693 -0.494
37 HB2 LEU 53 HB2 LEU 53 41.955 -4.700 -1.546
38 HB3 LEU 53 HB1 LEU 53 43.174 -4.697 -2.806
39 HG LEU 53 HG LEU 53 43.623 -7.143 -2.032
40 HD11 LEU 53 HD11 LEU 53 42.387 -7.585 -0.186
41 HD12 LEU 53 HD12 LEU 53 41.182 -8.011 -1.401
42 HD13 LEU 53 HD13 LEU 53 41.124 -6.432 -0.619
43 HD21 LEU 53 HD21 LEU 53 41.616 -7.867 -3.474
44 HD22 LEU 53 HD22 LEU 53 42.849 -6.838 -4.203
45 HD23 LEU 53 HD23 LEU 53 41.322 -6.138 -3.665
46 H CYS 54 HN CYS 54 45.499 -3.176 0.380
47 HA CYS 54 HA CYS 54 47.465 -2.754 -1.580
48 HB2 CYS 54 HB2 CYS 54 46.840 -0.325 -2.085
49 HB3 CYS 54 HB1 CYS 54 45.915 -1.573 -2.913
50 HG CYS 54 HG CYS 54 44.817 0.417 -0.870
51 H PHE 55 HN PHE 55 49.198 -1.692 -0.720
52 HA PHE 55 HA PHE 55 48.855 -0.664 2.014
53 HB2 PHE 55 HB2 PHE 55 51.371 -1.650 0.654
54 HB3 PHE 55 HB1 PHE 55 51.233 -1.146 2.335
55 HD1 PHE 55 HD2 PHE 55 48.750 -2.425 3.175
56 HD2 PHE 55 HD1 PHE 55 51.884 -3.901 0.704
57 HE1 PHE 55 HE2 PHE 55 48.166 -4.727 3.818
58 HE2 PHE 55 HE1 PHE 55 51.306 -6.206 1.342
59 HZ PHE 55 HZ PHE 55 49.446 -6.621 2.902
60 H ASN 56 HN ASN 56 49.751 1.304 2.628
61 HA ASN 56 HA ASN 56 50.676 3.009 0.412
62 HB2 ASN 56 HB2 ASN 56 49.625 4.911 1.743
63 HB3 ASN 56 HB1 ASN 56 48.513 3.800 0.948
64 HD21 ASN 56 HD21 ASN 56 46.884 4.429 2.400
65 HD22 ASN 56 HD22 ASN 56 46.848 3.833 4.022
66 H CYS 57 HN CYS 57 52.541 4.049 0.675
67 HA CYS 57 HA CYS 57 54.113 3.570 3.026
68 HB2 CYS 57 HB2 CYS 57 55.336 3.555 1.008
69 HB3 CYS 57 HB1 CYS 57 54.594 5.045 0.444
70 HA PRO 58 HA PRO 58 52.445 7.274 4.981
71 HB2 PRO 58 HB2 PRO 58 53.639 6.908 7.383
72 HB3 PRO 58 HB1 PRO 58 52.199 6.013 6.885
73 HG2 PRO 58 HG2 PRO 58 55.069 5.161 6.835
74 HG3 PRO 58 HG1 PRO 58 53.640 4.248 7.356
75 HD2 PRO 58 HD2 PRO 58 54.783 3.910 4.923
76 HD3 PRO 58 HD1 PRO 58 53.040 3.713 5.197
77 H ILE 59 HN ILE 59 55.713 6.488 4.279
78 HA ILE 59 HA ILE 59 56.904 8.781 5.498
79 HB ILE 59 HB ILE 59 58.036 7.124 3.246
80 HG12 ILE 59 HG12 ILE 59 59.254 6.379 5.649
81 HG13 ILE 59 HG11 ILE 59 57.540 6.468 6.037
82 HG21 ILE 59 HG21 ILE 59 59.139 9.172 5.115
83 HG22 ILE 59 HG22 ILE 59 59.401 8.974 3.382
84 HG23 ILE 59 HG23 ILE 59 60.185 7.881 4.524
85 HD11 ILE 59 HD11 ILE 59 56.991 4.772 4.581
86 HD12 ILE 59 HD12 ILE 59 58.558 4.247 5.198
87 HD13 ILE 59 HD13 ILE 59 58.442 4.996 3.606
88 H CYS 60 HN CYS 60 56.185 7.972 2.070
89 HA CYS 60 HA CYS 60 56.190 10.880 1.565
90 HB2 CYS 60 HB2 CYS 60 57.105 10.550 -0.590
91 HB3 CYS 60 HB1 CYS 60 58.069 9.561 0.500
92 H ASP 61 HN ASP 61 54.232 8.202 1.728
93 HA ASP 61 HA ASP 61 51.972 8.063 1.382
94 HB2 ASP 61 HB2 ASP 61 52.087 10.394 -0.523
95 HB3 ASP 61 HB1 ASP 61 50.701 9.780 0.370
96 H LYS 62 HN LYS 62 54.004 6.712 -0.137
97 HA LYS 62 HA LYS 62 52.940 6.554 -2.841
98 HB2 LYS 62 HB2 LYS 62 55.432 6.402 -2.225
99 HB3 LYS 62 HB1 LYS 62 55.073 4.769 -1.685
100 HG2 LYS 62 HG2 LYS 62 55.787 4.396 -3.831
101 HG3 LYS 62 HG1 LYS 62 54.042 4.513 -4.066
102 HD2 LYS 62 HD2 LYS 62 54.497 7.021 -4.481
103 HD3 LYS 62 HD1 LYS 62 56.175 6.521 -4.707
104 HE2 LYS 62 HE2 LYS 62 55.751 5.662 -6.727
105 HE3 LYS 62 HE1 LYS 62 54.291 4.849 -6.166
106 HZ1 LYS 62 HZ1 LYS 62 52.989 6.527 -6.856
107 HZ2 LYS 62 HZ2 LYS 62 54.285 6.883 -7.881
108 HZ3 LYS 62 HZ3 LYS 62 54.099 7.732 -6.431
109 H ILE 63 HN ILE 63 51.197 5.340 -3.212
110 HA ILE 63 HA ILE 63 50.706 3.020 -1.478
111 HB ILE 63 HB ILE 63 48.726 4.362 -3.310
112 HG12 ILE 63 HG12 ILE 63 47.930 5.048 -0.808
113 HG13 ILE 63 HG11 ILE 63 49.678 5.073 -0.603
114 HG21 ILE 63 HG21 ILE 63 48.643 2.103 -1.419
115 HG22 ILE 63 HG22 ILE 63 47.688 2.407 -2.869
116 HG23 ILE 63 HG23 ILE 63 47.276 3.217 -1.358
117 HD11 ILE 63 HD11 ILE 63 49.652 6.517 -2.753
118 HD12 ILE 63 HD12 ILE 63 49.217 7.243 -1.205
119 HD13 ILE 63 HD13 ILE 63 47.955 6.771 -2.343
120 H PHE 64 HN PHE 64 50.178 1.025 -2.287
121 HA PHE 64 HA PHE 64 50.250 0.582 -5.165
122 HB2 PHE 64 HB2 PHE 64 51.835 -1.394 -3.647
123 HB3 PHE 64 HB1 PHE 64 52.112 -0.719 -5.246
124 HD1 PHE 64 HD2 PHE 64 52.739 -0.344 -1.671
125 HD2 PHE 64 HD1 PHE 64 53.422 1.289 -5.539
126 HE1 PHE 64 HE2 PHE 64 54.555 1.044 -0.760
127 HE2 PHE 64 HE1 PHE 64 55.241 2.678 -4.637
128 HZ PHE 64 HZ PHE 64 55.809 2.554 -2.243
129 HA PRO 65 HA PRO 65 47.188 -2.459 -4.268
130 HB2 PRO 65 HB2 PRO 65 47.765 -4.507 -5.952
131 HB3 PRO 65 HB1 PRO 65 47.102 -2.967 -6.510
132 HG2 PRO 65 HG2 PRO 65 49.935 -3.930 -6.537
133 HG3 PRO 65 HG1 PRO 65 49.036 -3.062 -7.795
134 HD2 PRO 65 HD2 PRO 65 50.786 -1.832 -6.128
135 HD3 PRO 65 HD1 PRO 65 49.352 -1.016 -6.784
136 H ALA 66 HN ALA 66 46.739 -4.417 -3.193
137 HA ALA 66 HA ALA 66 48.559 -5.210 -1.247
138 HB1 ALA 66 HB1 ALA 66 46.442 -5.749 -0.621
139 HB2 ALA 66 HB2 ALA 66 46.947 -7.323 -1.236
140 HB3 ALA 66 HB3 ALA 66 45.971 -6.255 -2.243
141 H THR 67 HN THR 67 48.259 -6.239 -4.526
142 HA THR 67 HA THR 67 49.628 -8.741 -4.184
143 HB THR 67 HB THR 67 49.845 -8.259 -6.833
144 HG1 THR 67 HG1 THR 67 47.443 -6.941 -6.160
145 HG21 THR 67 HG21 THR 67 47.092 -8.942 -6.194
146 HG22 THR 67 HG22 THR 67 48.278 -9.884 -5.290
147 HG23 THR 67 HG23 THR 67 48.325 -9.865 -7.053
148 H GLU 68 HN GLU 68 50.554 -5.470 -4.461
149 HA GLU 68 HA GLU 68 53.232 -6.152 -5.384
150 HB2 GLU 68 HB2 GLU 68 51.633 -3.653 -5.243
151 HB3 GLU 68 HB1 GLU 68 53.377 -3.499 -5.083
152 HG2 GLU 68 HG2 GLU 68 53.726 -4.518 -7.221
153 HG3 GLU 68 HG1 GLU 68 52.012 -4.904 -7.366
154 H LYS 69 HN LYS 69 52.323 -6.986 -2.768
155 HA LYS 69 HA LYS 69 53.122 -5.383 -0.659
156 HB2 LYS 69 HB2 LYS 69 53.533 -7.524 0.568
157 HB3 LYS 69 HB1 LYS 69 51.970 -7.442 -0.232
158 HG2 LYS 69 HG2 LYS 69 52.514 -9.494 -0.948
159 HG3 LYS 69 HG1 LYS 69 53.441 -8.613 -2.164
160 HD2 LYS 69 HD2 LYS 69 54.893 -10.258 -1.253
161 HD3 LYS 69 HD1 LYS 69 55.398 -8.705 -0.583
162 HE2 LYS 69 HE2 LYS 69 53.478 -9.685 1.194
163 HE3 LYS 69 HE1 LYS 69 54.469 -11.080 0.770
164 HZ1 LYS 69 HZ1 LYS 69 55.200 -8.649 2.212
165 HZ2 LYS 69 HZ2 LYS 69 56.377 -9.327 1.204
166 HZ3 LYS 69 HZ3 LYS 69 55.705 -10.245 2.457
167 H GLN 70 HN GLN 70 55.050 -7.115 -2.969
168 HA GLN 70 HA GLN 70 57.485 -7.119 -1.502
169 HB2 GLN 70 HB2 GLN 70 56.997 -8.593 -3.460
170 HB3 GLN 70 HB1 GLN 70 57.119 -7.182 -4.502
171 HG2 GLN 70 HG2 GLN 70 59.225 -7.967 -4.732
172 HG3 GLN 70 HG1 GLN 70 59.469 -6.965 -3.302
173 HE21 GLN 70 HE21 GLN 70 61.335 -8.492 -3.150
174 HE22 GLN 70 HE22 GLN 70 61.090 -9.958 -2.271
175 H ILE 71 HN ILE 71 55.921 -4.841 -3.654
176 HA ILE 71 HA ILE 71 58.205 -3.108 -3.869
177 HB ILE 71 HB ILE 71 55.356 -2.333 -4.459
178 HG12 ILE 71 HG12 ILE 71 55.729 -4.439 -5.601
179 HG13 ILE 71 HG11 ILE 71 55.772 -3.131 -6.779
180 HG21 ILE 71 HG21 ILE 71 56.493 -0.419 -4.814
181 HG22 ILE 71 HG22 ILE 71 56.872 -1.182 -6.359
182 HG23 ILE 71 HG23 ILE 71 58.035 -1.247 -5.034
183 HD11 ILE 71 HD11 ILE 71 57.842 -5.029 -6.003
184 HD12 ILE 71 HD12 ILE 71 58.399 -3.358 -6.084
185 HD13 ILE 71 HD13 ILE 71 57.643 -4.105 -7.491
186 H PHE 72 HN PHE 72 55.368 -3.351 -1.833
187 HA PHE 72 HA PHE 72 55.577 -0.760 -0.673
188 HB2 PHE 72 HB2 PHE 72 53.458 -1.874 -0.570
189 HB3 PHE 72 HB1 PHE 72 54.168 -3.281 0.214
190 HD1 PHE 72 HD2 PHE 72 53.463 0.330 0.707
191 HD2 PHE 72 HD1 PHE 72 54.234 -3.435 2.536
192 HE1 PHE 72 HE2 PHE 72 52.931 1.293 2.908
193 HE2 PHE 72 HE1 PHE 72 53.702 -2.479 4.739
194 HZ PHE 72 HZ PHE 72 53.051 -0.111 4.928
195 H GLU 73 HN GLU 73 56.899 -3.918 0.108
196 HA GLU 73 HA GLU 73 57.930 -3.114 2.658
197 HB2 GLU 73 HB2 GLU 73 58.133 -5.546 0.938
198 HB3 GLU 73 HB1 GLU 73 59.333 -5.314 2.202
199 HG2 GLU 73 HG2 GLU 73 56.416 -5.126 2.825
200 HG3 GLU 73 HG1 GLU 73 57.214 -6.694 2.704
201 H ASP 74 HN ASP 74 59.186 -3.527 -0.602
202 HA ASP 74 HA ASP 74 61.872 -2.913 0.070
203 HB2 ASP 74 HB2 ASP 74 60.684 -3.985 -2.124
204 HB3 ASP 74 HB1 ASP 74 60.985 -2.345 -2.688
205 H HIS 75 HN HIS 75 59.161 -1.050 -1.193
206 HA HIS 75 HA HIS 75 60.491 1.354 -1.677
207 HB2 HIS 75 HB2 HIS 75 58.225 0.935 -2.474
208 HB3 HIS 75 HB1 HIS 75 57.632 0.889 -0.816
209 HD1 HIS 75 HD1 HIS 75 57.921 3.142 -3.598
210 HD2 HIS 75 HD2 HIS 75 58.151 3.494 0.542
211 HE1 HIS 75 HE1 HIS 75 57.571 5.592 -3.064
212 H VAL 76 HN VAL 76 58.631 0.378 1.184
213 HA VAL 76 HA VAL 76 59.244 2.627 2.754
214 HB VAL 76 HB VAL 76 58.671 -0.181 3.724
215 HG11 VAL 76 HG11 VAL 76 59.588 1.637 5.323
216 HG12 VAL 76 HG12 VAL 76 58.169 0.711 5.808
217 HG13 VAL 76 HG13 VAL 76 57.980 2.346 5.175
218 HG21 VAL 76 HG21 VAL 76 56.525 1.837 3.684
219 HG22 VAL 76 HG22 VAL 76 56.467 0.108 3.342
220 HG23 VAL 76 HG23 VAL 76 57.039 1.232 2.109
221 H PHE 77 HN PHE 77 60.885 -0.412 2.195
222 HA PHE 77 HA PHE 77 62.800 -0.318 4.224
223 HB2 PHE 77 HB2 PHE 77 62.403 -2.270 2.715
224 HB3 PHE 77 HB1 PHE 77 63.203 -1.386 1.420
225 HD1 PHE 77 HD2 PHE 77 65.608 -0.976 1.501
226 HD2 PHE 77 HD1 PHE 77 63.643 -3.262 4.504
227 HE1 PHE 77 HE2 PHE 77 67.782 -1.847 2.255
228 HE2 PHE 77 HE1 PHE 77 65.813 -4.137 5.264
229 HZ PHE 77 HZ PHE 77 67.887 -3.430 4.138
230 H CYS 78 HN CYS 78 62.619 1.299 1.122
231 HA CYS 78 HA CYS 78 65.271 2.252 1.081
232 HB2 CYS 78 HB2 CYS 78 62.771 3.346 -0.217
233 HB3 CYS 78 HB1 CYS 78 64.389 3.961 -0.536
234 HG CYS 78 HG CYS 78 64.254 2.303 -2.364
235 H HIS 79 HN HIS 79 62.253 3.701 2.211
236 HA HIS 79 HA HIS 79 63.424 6.107 3.133
237 HB2 HIS 79 HB2 HIS 79 60.920 4.655 4.013
238 HB3 HIS 79 HB1 HIS 79 61.377 6.253 4.592
239 HD1 HIS 79 HD1 HIS 79 61.455 8.171 2.670
240 HD2 HIS 79 HD2 HIS 79 59.568 4.605 1.689
241 HE1 HIS 79 HE1 HIS 79 60.031 8.658 0.636
242 H SER 80 HN SER 80 63.545 2.882 4.214
243 HA SER 80 HA SER 80 64.016 3.426 6.991
244 HB2 SER 80 HB2 SER 80 63.597 1.117 5.365
245 HB3 SER 80 HB1 SER 80 65.088 0.892 6.277
246 HG SER 80 HG SER 80 62.481 0.989 7.151
247 H LEU 81 HN LEU 81 65.892 3.630 4.176
248 HA LEU 81 HA LEU 81 68.420 3.033 5.363
249 HB2 LEU 81 HB2 LEU 81 67.806 4.512 2.814
250 HB3 LEU 81 HB1 LEU 81 69.363 3.842 3.274
251 HG LEU 81 HG LEU 81 67.021 2.018 3.164
252 HD11 LEU 81 HD11 LEU 81 67.258 1.674 0.792
253 HD12 LEU 81 HD12 LEU 81 68.563 2.857 0.707
254 HD13 LEU 81 HD13 LEU 81 66.920 3.379 1.084
255 HD21 LEU 81 HD21 LEU 81 68.898 0.889 3.864
256 HD22 LEU 81 HD22 LEU 81 69.986 1.852 2.863
257 HD23 LEU 81 HD23 LEU 81 68.969 0.615 2.123
Start of MODEL 14
1 H1 GLN 49 HT1 GLN 49 44.843 3.440 7.745
2 H2 GLN 49 HT2 GLN 49 44.980 4.717 6.607
3 H3 GLN 49 HT3 GLN 49 46.345 3.744 6.979
4 HA GLN 49 HA GLN 49 45.200 3.290 4.838
5 HB2 GLN 49 HB2 GLN 49 46.617 1.752 6.554
6 HB3 GLN 49 HB1 GLN 49 45.131 0.816 6.465
7 HG2 GLN 49 HG2 GLN 49 46.090 1.670 3.857
8 HG3 GLN 49 HG1 GLN 49 47.250 0.667 4.727
9 HE21 GLN 49 HE21 GLN 49 47.104 -1.304 3.927
10 HE22 GLN 49 HE22 GLN 49 45.643 -2.189 3.667
11 H MET 50 HN MET 50 43.558 1.723 3.971
12 HA MET 50 HA MET 50 41.223 1.207 5.557
13 HB2 MET 50 HB2 MET 50 41.192 3.701 4.732
14 HB3 MET 50 HB1 MET 50 40.704 2.978 3.206
15 HG2 MET 50 HG2 MET 50 38.653 2.452 3.953
16 HG3 MET 50 HG1 MET 50 39.228 2.049 5.570
17 HE1 MET 50 HE1 MET 50 36.748 3.460 6.441
18 HE2 MET 50 HE2 MET 50 36.599 3.434 4.684
19 HE3 MET 50 HE3 MET 50 36.382 4.946 5.564
20 H GLN 51 HN GLN 51 41.880 1.804 2.120
21 HA GLN 51 HA GLN 51 40.335 -0.180 1.030
22 HB2 GLN 51 HB2 GLN 51 42.804 1.224 0.154
23 HB3 GLN 51 HB1 GLN 51 42.322 -0.203 -0.752
24 HG2 GLN 51 HG2 GLN 51 40.595 0.838 -1.716
25 HG3 GLN 51 HG1 GLN 51 40.148 1.684 -0.235
26 HE21 GLN 51 HE21 GLN 51 39.768 3.529 -1.571
27 HE22 GLN 51 HE22 GLN 51 41.087 4.520 -2.083
28 HA PRO 52 HA PRO 52 42.577 -3.705 2.829
29 HB2 PRO 52 HB2 PRO 52 40.238 -5.219 1.913
30 HB3 PRO 52 HB1 PRO 52 40.868 -5.018 3.549
31 HG2 PRO 52 HG2 PRO 52 38.560 -3.876 2.750
32 HG3 PRO 52 HG1 PRO 52 39.637 -3.109 3.932
33 HD2 PRO 52 HD2 PRO 52 39.315 -2.538 1.007
34 HD3 PRO 52 HD1 PRO 52 39.498 -1.404 2.362
35 H LEU 53 HN LEU 53 43.080 -5.918 1.939
36 HA LEU 53 HA LEU 53 44.059 -7.185 0.326
37 HB2 LEU 53 HB2 LEU 53 41.452 -6.589 -0.534
38 HB3 LEU 53 HB1 LEU 53 42.473 -6.380 -1.944
39 HG LEU 53 HG LEU 53 43.371 -8.682 -1.560
40 HD11 LEU 53 HD11 LEU 53 41.552 -10.009 -0.113
41 HD12 LEU 53 HD12 LEU 53 41.547 -8.472 0.752
42 HD13 LEU 53 HD13 LEU 53 43.050 -9.375 0.567
43 HD21 LEU 53 HD21 LEU 53 41.212 -7.919 -2.932
44 HD22 LEU 53 HD22 LEU 53 40.440 -9.020 -1.790
45 HD23 LEU 53 HD23 LEU 53 41.736 -9.601 -2.836
46 H CYS 54 HN CYS 54 45.079 -4.524 0.741
47 HA CYS 54 HA CYS 54 46.761 -4.337 -1.559
48 HB2 CYS 54 HB2 CYS 54 44.462 -2.487 -1.272
49 HB3 CYS 54 HB1 CYS 54 46.002 -1.747 -1.693
50 HG CYS 54 HG CYS 54 45.442 -4.028 -3.557
51 H PHE 55 HN PHE 55 47.923 -1.960 -1.321
52 HA PHE 55 HA PHE 55 48.476 -1.456 1.504
53 HB2 PHE 55 HB2 PHE 55 50.484 -2.374 -0.542
54 HB3 PHE 55 HB1 PHE 55 50.976 -1.426 0.857
55 HD1 PHE 55 HD1 PHE 55 50.159 -2.342 3.169
56 HD2 PHE 55 HD2 PHE 55 50.447 -4.668 -0.384
57 HE1 PHE 55 HE1 PHE 55 50.258 -4.393 4.524
58 HE2 PHE 55 HE2 PHE 55 50.546 -6.723 0.965
59 HZ PHE 55 HZ PHE 55 50.452 -6.588 3.422
60 H ASN 56 HN ASN 56 49.409 0.601 1.917
61 HA ASN 56 HA ASN 56 49.592 2.412 -0.382
62 HB2 ASN 56 HB2 ASN 56 47.906 2.860 2.085
63 HB3 ASN 56 HB1 ASN 56 48.331 4.139 0.952
64 HD21 ASN 56 HD21 ASN 56 45.715 3.456 1.522
65 HD22 ASN 56 HD22 ASN 56 44.991 2.770 0.112
66 H CYS 57 HN CYS 57 51.422 3.528 -0.325
67 HA CYS 57 HA CYS 57 53.100 3.500 2.004
68 HB2 CYS 57 HB2 CYS 57 54.176 3.346 -0.133
69 HB3 CYS 57 HB1 CYS 57 53.383 4.808 -0.703
70 HA PRO 58 HA PRO 58 51.142 7.223 3.610
71 HB2 PRO 58 HB2 PRO 58 53.074 7.008 5.794
72 HB3 PRO 58 HB1 PRO 58 51.315 6.875 5.840
73 HG2 PRO 58 HG2 PRO 58 52.964 4.759 6.224
74 HG3 PRO 58 HG1 PRO 58 51.347 4.607 5.513
75 HD2 PRO 58 HD2 PRO 58 54.020 4.616 4.175
76 HD3 PRO 58 HD1 PRO 58 52.577 3.643 3.816
77 H ILE 59 HN ILE 59 54.455 6.749 2.779
78 HA ILE 59 HA ILE 59 55.325 9.386 3.502
79 HB ILE 59 HB ILE 59 56.674 7.442 1.634
80 HG12 ILE 59 HG12 ILE 59 58.018 7.379 4.051
81 HG13 ILE 59 HG11 ILE 59 56.328 7.433 4.539
82 HG21 ILE 59 HG21 ILE 59 58.695 8.764 2.668
83 HG22 ILE 59 HG22 ILE 59 57.470 10.005 2.927
84 HG23 ILE 59 HG23 ILE 59 57.795 9.415 1.298
85 HD11 ILE 59 HD11 ILE 59 55.836 5.437 3.384
86 HD12 ILE 59 HD12 ILE 59 57.333 5.149 4.270
87 HD13 ILE 59 HD13 ILE 59 57.381 5.464 2.536
88 H CYS 60 HN CYS 60 54.751 7.788 0.330
89 HA CYS 60 HA CYS 60 54.447 10.502 -0.786
90 HB2 CYS 60 HB2 CYS 60 55.262 9.734 -2.882
91 HB3 CYS 60 HB1 CYS 60 56.373 9.136 -1.657
92 H ASP 61 HN ASP 61 52.648 7.942 0.176
93 HA ASP 61 HA ASP 61 50.412 7.537 -0.042
94 HB2 ASP 61 HB2 ASP 61 50.282 9.395 -2.408
95 HB3 ASP 61 HB1 ASP 61 48.991 8.938 -1.302
96 H LYS 62 HN LYS 62 52.668 6.287 -1.615
97 HA LYS 62 HA LYS 62 51.701 5.503 -4.136
98 HB2 LYS 62 HB2 LYS 62 53.994 5.006 -2.586
99 HB3 LYS 62 HB1 LYS 62 53.299 3.428 -2.924
100 HG2 LYS 62 HG2 LYS 62 53.225 4.902 -5.331
101 HG3 LYS 62 HG1 LYS 62 54.829 5.115 -4.631
102 HD2 LYS 62 HD2 LYS 62 54.927 2.616 -4.353
103 HD3 LYS 62 HD1 LYS 62 53.441 2.525 -5.300
104 HE2 LYS 62 HE2 LYS 62 54.572 3.652 -7.163
105 HE3 LYS 62 HE1 LYS 62 56.057 3.715 -6.216
106 HZ1 LYS 62 HZ1 LYS 62 55.461 1.757 -7.925
107 HZ2 LYS 62 HZ2 LYS 62 54.873 1.085 -6.488
108 HZ3 LYS 62 HZ3 LYS 62 56.492 1.561 -6.597
109 H ILE 63 HN ILE 63 51.241 3.092 -4.634
110 HA ILE 63 HA ILE 63 49.705 1.767 -2.549
111 HB ILE 63 HB ILE 63 48.424 2.506 -5.177
112 HG12 ILE 63 HG12 ILE 63 47.943 3.590 -2.393
113 HG13 ILE 63 HG11 ILE 63 48.649 4.471 -3.743
114 HG21 ILE 63 HG21 ILE 63 47.459 0.968 -2.781
115 HG22 ILE 63 HG22 ILE 63 47.533 0.443 -4.463
116 HG23 ILE 63 HG23 ILE 63 46.358 1.663 -3.971
117 HD11 ILE 63 HD11 ILE 63 45.940 4.268 -3.013
118 HD12 ILE 63 HD12 ILE 63 46.131 3.429 -4.552
119 HD13 ILE 63 HD13 ILE 63 46.641 5.110 -4.394
120 H PHE 64 HN PHE 64 49.571 -0.412 -2.789
121 HA PHE 64 HA PHE 64 50.305 -1.643 -5.325
122 HB2 PHE 64 HB2 PHE 64 51.619 -2.924 -3.018
123 HB3 PHE 64 HB1 PHE 64 52.208 -2.680 -4.655
124 HD1 PHE 64 HD1 PHE 64 51.478 -0.722 -1.564
125 HD2 PHE 64 HD2 PHE 64 53.971 -1.256 -4.971
126 HE1 PHE 64 HE1 PHE 64 52.972 1.053 -0.745
127 HE2 PHE 64 HE2 PHE 64 55.469 0.518 -4.159
128 HZ PHE 64 HZ PHE 64 54.972 1.672 -2.041
129 HA PRO 65 HA PRO 65 47.241 -4.610 -4.224
130 HB2 PRO 65 HB2 PRO 65 48.299 -6.957 -5.120
131 HB3 PRO 65 HB1 PRO 65 47.634 -5.722 -6.195
132 HG2 PRO 65 HG2 PRO 65 50.488 -6.266 -5.472
133 HG3 PRO 65 HG1 PRO 65 49.788 -5.894 -7.058
134 HD2 PRO 65 HD2 PRO 65 51.064 -4.033 -5.578
135 HD3 PRO 65 HD1 PRO 65 49.684 -3.628 -6.621
136 H ALA 66 HN ALA 66 46.779 -6.524 -2.917
137 HA ALA 66 HA ALA 66 48.023 -6.462 -0.425
138 HB1 ALA 66 HB1 ALA 66 46.839 -8.884 -0.367
139 HB2 ALA 66 HB2 ALA 66 46.002 -8.153 -1.737
140 HB3 ALA 66 HB3 ALA 66 45.975 -7.360 -0.162
141 H THR 67 HN THR 67 48.668 -8.446 -3.242
142 HA THR 67 HA THR 67 50.416 -10.258 -1.859
143 HB THR 67 HB THR 67 51.049 -10.686 -4.424
144 HG1 THR 67 HG1 THR 67 49.907 -9.205 -5.471
145 HG21 THR 67 HG21 THR 67 49.915 -12.561 -4.133
146 HG22 THR 67 HG22 THR 67 48.379 -11.694 -4.080
147 HG23 THR 67 HG23 THR 67 49.330 -11.894 -2.609
148 H GLU 68 HN GLU 68 50.767 -7.085 -2.709
149 HA GLU 68 HA GLU 68 53.577 -7.316 -3.432
150 HB2 GLU 68 HB2 GLU 68 51.477 -5.408 -3.968
151 HB3 GLU 68 HB1 GLU 68 52.884 -4.602 -3.288
152 HG2 GLU 68 HG2 GLU 68 52.905 -4.668 -5.744
153 HG3 GLU 68 HG1 GLU 68 54.292 -5.479 -5.023
154 H LYS 69 HN LYS 69 52.482 -7.872 -0.710
155 HA LYS 69 HA LYS 69 53.038 -5.830 1.097
156 HB2 LYS 69 HB2 LYS 69 53.488 -7.713 2.726
157 HB3 LYS 69 HB1 LYS 69 51.933 -7.768 1.909
158 HG2 LYS 69 HG2 LYS 69 52.379 -9.841 1.286
159 HG3 LYS 69 HG1 LYS 69 53.703 -9.225 0.295
160 HD2 LYS 69 HD2 LYS 69 55.297 -9.658 1.930
161 HD3 LYS 69 HD1 LYS 69 54.100 -9.692 3.226
162 HE2 LYS 69 HE2 LYS 69 54.203 -11.744 1.026
163 HE3 LYS 69 HE1 LYS 69 55.072 -11.925 2.549
164 HZ1 LYS 69 HZ1 LYS 69 53.085 -12.035 3.747
165 HZ2 LYS 69 HZ2 LYS 69 52.797 -12.992 2.383
166 HZ3 LYS 69 HZ3 LYS 69 52.157 -11.429 2.468
167 H GLN 70 HN GLN 70 55.164 -8.114 -0.498
168 HA GLN 70 HA GLN 70 57.492 -7.550 1.015
169 HB2 GLN 70 HB2 GLN 70 57.182 -9.565 -0.428
170 HB3 GLN 70 HB1 GLN 70 57.329 -8.528 -1.840
171 HG2 GLN 70 HG2 GLN 70 59.485 -9.095 -1.757
172 HG3 GLN 70 HG1 GLN 70 59.581 -7.877 -0.487
173 HE21 GLN 70 HE21 GLN 70 60.551 -8.516 1.286
174 HE22 GLN 70 HE22 GLN 70 60.639 -10.136 1.880
175 H ILE 71 HN ILE 71 56.190 -6.263 -1.995
176 HA ILE 71 HA ILE 71 58.372 -4.494 -2.490
177 HB ILE 71 HB ILE 71 55.591 -4.110 -3.571
178 HG12 ILE 71 HG12 ILE 71 55.988 -6.427 -3.972
179 HG13 ILE 71 HG11 ILE 71 56.353 -5.596 -5.479
180 HG21 ILE 71 HG21 ILE 71 56.862 -2.350 -4.310
181 HG22 ILE 71 HG22 ILE 71 57.127 -3.514 -5.608
182 HG23 ILE 71 HG23 ILE 71 58.349 -3.299 -4.354
183 HD11 ILE 71 HD11 ILE 71 57.959 -7.387 -4.861
184 HD12 ILE 71 HD12 ILE 71 58.435 -6.411 -3.471
185 HD13 ILE 71 HD13 ILE 71 58.697 -5.803 -5.105
186 H PHE 72 HN PHE 72 55.362 -4.298 -0.732
187 HA PHE 72 HA PHE 72 55.250 -1.482 -0.471
188 HB2 PHE 72 HB2 PHE 72 53.263 -2.764 -0.051
189 HB3 PHE 72 HB1 PHE 72 54.071 -3.716 1.189
190 HD1 PHE 72 HD2 PHE 72 53.943 -0.035 0.628
191 HD2 PHE 72 HD1 PHE 72 52.987 -3.304 3.178
192 HE1 PHE 72 HE2 PHE 72 53.154 1.541 2.345
193 HE2 PHE 72 HE1 PHE 72 52.196 -1.735 4.900
194 HZ PHE 72 HZ PHE 72 52.279 0.691 4.484
195 H GLU 73 HN GLU 73 56.812 -4.025 1.386
196 HA GLU 73 HA GLU 73 57.605 -2.311 3.537
197 HB2 GLU 73 HB2 GLU 73 58.611 -5.042 2.714
198 HB3 GLU 73 HB1 GLU 73 59.031 -4.224 4.211
199 HG2 GLU 73 HG2 GLU 73 56.172 -4.361 3.870
200 HG3 GLU 73 HG1 GLU 73 56.907 -5.960 3.777
201 H ASP 74 HN ASP 74 59.036 -3.512 0.567
202 HA ASP 74 HA ASP 74 61.628 -2.471 1.057
203 HB2 ASP 74 HB2 ASP 74 60.213 -3.476 -1.396
204 HB3 ASP 74 HB1 ASP 74 61.807 -2.739 -1.516
205 H HIS 75 HN HIS 75 58.788 -1.309 -0.666
206 HA HIS 75 HA HIS 75 59.879 0.989 -1.805
207 HB2 HIS 75 HB2 HIS 75 57.684 0.164 -2.446
208 HB3 HIS 75 HB1 HIS 75 57.066 0.476 -0.827
209 HD1 HIS 75 HD1 HIS 75 57.198 1.979 -4.094
210 HD2 HIS 75 HD2 HIS 75 57.254 3.369 -0.175
211 HE1 HIS 75 HE1 HIS 75 56.587 4.434 -4.195
212 H VAL 76 HN VAL 76 58.081 0.654 1.238
213 HA VAL 76 HA VAL 76 58.432 3.293 2.128
214 HB VAL 76 HB VAL 76 58.173 0.803 3.831
215 HG11 VAL 76 HG11 VAL 76 58.079 2.115 5.628
216 HG12 VAL 76 HG12 VAL 76 56.947 3.220 4.849
217 HG13 VAL 76 HG13 VAL 76 58.682 3.420 4.607
218 HG21 VAL 76 HG21 VAL 76 56.394 1.565 1.952
219 HG22 VAL 76 HG22 VAL 76 55.821 2.505 3.330
220 HG23 VAL 76 HG23 VAL 76 55.951 0.750 3.452
221 H PHE 77 HN PHE 77 60.393 0.404 2.429
222 HA PHE 77 HA PHE 77 62.283 1.264 4.284
223 HB2 PHE 77 HB2 PHE 77 62.075 -1.058 3.322
224 HB3 PHE 77 HB1 PHE 77 62.868 -0.458 1.868
225 HD1 PHE 77 HD2 PHE 77 63.332 -0.843 5.530
226 HD2 PHE 77 HD1 PHE 77 65.188 -0.408 1.726
227 HE1 PHE 77 HE2 PHE 77 65.525 -1.281 6.555
228 HE2 PHE 77 HE1 PHE 77 67.384 -0.846 2.742
229 HZ PHE 77 HZ PHE 77 67.555 -1.283 5.161
230 H CYS 78 HN CYS 78 61.938 1.939 0.864
231 HA CYS 78 HA CYS 78 64.471 3.121 0.499
232 HB2 CYS 78 HB2 CYS 78 62.065 2.769 -1.060
233 HB3 CYS 78 HB1 CYS 78 62.692 4.402 -1.267
234 HG CYS 78 HG CYS 78 64.761 3.490 -2.380
235 H HIS 79 HN HIS 79 61.308 4.492 1.269
236 HA HIS 79 HA HIS 79 62.168 7.174 1.442
237 HB2 HIS 79 HB2 HIS 79 59.892 5.713 2.793
238 HB3 HIS 79 HB1 HIS 79 60.150 7.445 2.952
239 HD1 HIS 79 HD1 HIS 79 59.900 8.851 0.658
240 HD2 HIS 79 HD2 HIS 79 58.563 4.922 0.586
241 HE1 HIS 79 HE1 HIS 79 58.391 8.654 -1.364
242 H SER 80 HN SER 80 62.695 4.421 3.389
243 HA SER 80 HA SER 80 63.147 5.798 5.866
244 HB2 SER 80 HB2 SER 80 64.245 3.076 5.231
245 HB3 SER 80 HB1 SER 80 63.677 3.707 6.777
246 HG SER 80 HG SER 80 61.576 3.574 6.037
247 H LEU 81 HN LEU 81 64.973 5.313 3.035
248 HA LEU 81 HA LEU 81 67.555 5.386 4.249
249 HB2 LEU 81 HB2 LEU 81 66.784 5.968 1.398
250 HB3 LEU 81 HB1 LEU 81 68.400 5.614 1.988
251 HG LEU 81 HG LEU 81 66.253 3.627 2.501
252 HD11 LEU 81 HD11 LEU 81 67.707 3.770 -0.138
253 HD12 LEU 81 HD12 LEU 81 66.054 4.338 0.097
254 HD13 LEU 81 HD13 LEU 81 66.444 2.635 0.340
255 HD21 LEU 81 HD21 LEU 81 68.968 2.933 1.536
256 HD22 LEU 81 HD22 LEU 81 67.973 2.172 2.776
257 HD23 LEU 81 HD23 LEU 81 68.842 3.663 3.137
Start of MODEL 15
1 H1 GLN 49 HT1 GLN 49 35.067 1.543 1.810
2 H2 GLN 49 HT2 GLN 49 35.653 2.718 0.704
3 H3 GLN 49 HT3 GLN 49 34.825 3.211 2.123
4 HA GLN 49 HA GLN 49 37.012 3.581 2.597
5 HB2 GLN 49 HB2 GLN 49 35.512 1.841 4.032
6 HB3 GLN 49 HB1 GLN 49 36.929 0.848 3.721
7 HG2 GLN 49 HG2 GLN 49 37.454 1.841 5.726
8 HG3 GLN 49 HG1 GLN 49 38.253 2.901 4.566
9 HE21 GLN 49 HE21 GLN 49 38.103 4.920 5.208
10 HE22 GLN 49 HE22 GLN 49 36.705 5.677 5.882
11 H MET 50 HN MET 50 37.008 0.094 1.937
12 HA MET 50 HA MET 50 38.479 -1.259 0.849
13 HB2 MET 50 HB2 MET 50 37.795 0.048 -1.102
14 HB3 MET 50 HB1 MET 50 39.015 1.260 -0.736
15 HG2 MET 50 HG2 MET 50 40.695 0.025 -1.584
16 HG3 MET 50 HG1 MET 50 39.994 -1.500 -1.046
17 HE1 MET 50 HE1 MET 50 41.023 0.535 -3.779
18 HE2 MET 50 HE2 MET 50 39.481 1.381 -3.908
19 HE3 MET 50 HE3 MET 50 39.965 0.236 -5.159
20 H GLN 51 HN GLN 51 39.739 -1.409 2.801
21 HA GLN 51 HA GLN 51 42.232 0.148 2.754
22 HB2 GLN 51 HB2 GLN 51 40.489 -0.741 4.886
23 HB3 GLN 51 HB1 GLN 51 42.138 -1.289 5.154
24 HG2 GLN 51 HG2 GLN 51 42.809 0.740 5.738
25 HG3 GLN 51 HG1 GLN 51 42.071 1.473 4.315
26 HE21 GLN 51 HE21 GLN 51 42.198 2.101 7.305
27 HE22 GLN 51 HE22 GLN 51 40.558 2.466 7.711
28 HA PRO 52 HA PRO 52 43.710 -4.439 3.448
29 HB2 PRO 52 HB2 PRO 52 41.345 -5.990 2.597
30 HB3 PRO 52 HB1 PRO 52 42.411 -6.235 3.984
31 HG2 PRO 52 HG2 PRO 52 39.917 -5.308 4.288
32 HG3 PRO 52 HG1 PRO 52 41.250 -4.740 5.309
33 HD2 PRO 52 HD2 PRO 52 39.954 -3.404 2.965
34 HD3 PRO 52 HD1 PRO 52 40.502 -2.704 4.501
35 H LEU 53 HN LEU 53 43.934 -6.399 1.827
36 HA LEU 53 HA LEU 53 44.502 -7.090 -0.262
37 HB2 LEU 53 HB2 LEU 53 41.902 -6.059 -0.463
38 HB3 LEU 53 HB1 LEU 53 42.768 -5.401 -1.838
39 HG LEU 53 HG LEU 53 43.524 -7.901 -2.168
40 HD11 LEU 53 HD11 LEU 53 41.119 -8.092 -0.392
41 HD12 LEU 53 HD12 LEU 53 42.644 -8.973 -0.299
42 HD13 LEU 53 HD13 LEU 53 41.486 -9.348 -1.576
43 HD21 LEU 53 HD21 LEU 53 40.679 -7.389 -2.879
44 HD22 LEU 53 HD22 LEU 53 41.990 -8.040 -3.864
45 HD23 LEU 53 HD23 LEU 53 41.922 -6.312 -3.514
46 H CYS 54 HN CYS 54 45.594 -4.522 0.940
47 HA CYS 54 HA CYS 54 47.363 -3.880 -1.146
48 HB2 CYS 54 HB2 CYS 54 46.678 -1.610 -1.688
49 HB3 CYS 54 HB1 CYS 54 45.381 -2.734 -2.076
50 HG CYS 54 HG CYS 54 44.016 -1.831 -0.115
51 H PHE 55 HN PHE 55 48.288 -1.451 -0.545
52 HA PHE 55 HA PHE 55 48.499 -1.140 2.335
53 HB2 PHE 55 HB2 PHE 55 50.793 -1.974 0.569
54 HB3 PHE 55 HB1 PHE 55 51.062 -1.106 2.076
55 HD1 PHE 55 HD2 PHE 55 49.767 -4.221 0.601
56 HD2 PHE 55 HD1 PHE 55 50.883 -2.196 4.173
57 HE1 PHE 55 HE2 PHE 55 49.674 -6.350 1.833
58 HE2 PHE 55 HE1 PHE 55 50.792 -4.319 5.411
59 HZ PHE 55 HZ PHE 55 50.186 -6.400 4.242
60 H ASN 56 HN ASN 56 49.796 0.816 2.902
61 HA ASN 56 HA ASN 56 49.958 2.764 0.714
62 HB2 ASN 56 HB2 ASN 56 48.515 3.189 3.337
63 HB3 ASN 56 HB1 ASN 56 48.899 4.476 2.199
64 HD21 ASN 56 HD21 ASN 56 46.313 3.844 3.041
65 HD22 ASN 56 HD22 ASN 56 45.421 3.265 1.679
66 H CYS 57 HN CYS 57 51.840 3.798 0.726
67 HA CYS 57 HA CYS 57 53.710 3.442 2.863
68 HB2 CYS 57 HB2 CYS 57 54.584 3.511 0.635
69 HB3 CYS 57 HB1 CYS 57 53.794 5.046 0.306
70 HA PRO 58 HA PRO 58 52.025 6.984 5.091
71 HB2 PRO 58 HB2 PRO 58 53.651 6.746 7.258
72 HB3 PRO 58 HB1 PRO 58 52.208 5.756 7.014
73 HG2 PRO 58 HG2 PRO 58 55.075 5.091 6.463
74 HG3 PRO 58 HG1 PRO 58 53.822 4.092 7.224
75 HD2 PRO 58 HD2 PRO 58 54.530 3.777 4.643
76 HD3 PRO 58 HD1 PRO 58 52.861 3.534 5.197
77 H ILE 59 HN ILE 59 55.162 6.567 3.794
78 HA ILE 59 HA ILE 59 56.198 9.056 4.840
79 HB ILE 59 HB ILE 59 57.387 7.354 2.655
80 HG12 ILE 59 HG12 ILE 59 58.819 7.005 5.049
81 HG13 ILE 59 HG11 ILE 59 57.122 6.855 5.496
82 HG21 ILE 59 HG21 ILE 59 58.523 9.347 2.543
83 HG22 ILE 59 HG22 ILE 59 59.491 8.484 3.738
84 HG23 ILE 59 HG23 ILE 59 58.314 9.688 4.261
85 HD11 ILE 59 HD11 ILE 59 57.973 5.379 3.093
86 HD12 ILE 59 HD12 ILE 59 56.867 4.914 4.384
87 HD13 ILE 59 HD13 ILE 59 58.609 4.813 4.636
88 H CYS 60 HN CYS 60 55.371 7.852 1.550
89 HA CYS 60 HA CYS 60 55.054 10.688 0.794
90 HB2 CYS 60 HB2 CYS 60 55.732 10.189 -1.422
91 HB3 CYS 60 HB1 CYS 60 56.893 9.401 -0.361
92 H ASP 61 HN ASP 61 53.328 7.914 1.419
93 HA ASP 61 HA ASP 61 51.067 7.576 1.345
94 HB2 ASP 61 HB2 ASP 61 50.773 9.786 -0.680
95 HB3 ASP 61 HB1 ASP 61 49.557 9.139 0.415
96 H LYS 62 HN LYS 62 53.147 6.523 -0.528
97 HA LYS 62 HA LYS 62 51.774 6.082 -3.012
98 HB2 LYS 62 HB2 LYS 62 54.409 5.522 -1.920
99 HB3 LYS 62 HB1 LYS 62 53.777 4.158 -2.829
100 HG2 LYS 62 HG2 LYS 62 53.696 6.909 -3.991
101 HG3 LYS 62 HG1 LYS 62 55.175 5.951 -4.048
102 HD2 LYS 62 HD2 LYS 62 53.201 4.187 -4.870
103 HD3 LYS 62 HD1 LYS 62 52.747 5.717 -5.623
104 HE2 LYS 62 HE2 LYS 62 54.687 5.833 -6.868
105 HE3 LYS 62 HE1 LYS 62 55.585 4.801 -5.756
106 HZ1 LYS 62 HZ1 LYS 62 54.620 3.974 -8.096
107 HZ2 LYS 62 HZ2 LYS 62 53.334 3.546 -7.085
108 HZ3 LYS 62 HZ3 LYS 62 54.884 2.944 -6.779
109 H ILE 63 HN ILE 63 50.341 4.534 -3.465
110 HA ILE 63 HA ILE 63 49.729 2.558 -1.414
111 HB ILE 63 HB ILE 63 48.279 3.089 -4.006
112 HG12 ILE 63 HG12 ILE 63 47.714 4.128 -1.222
113 HG13 ILE 63 HG11 ILE 63 48.301 5.085 -2.578
114 HG21 ILE 63 HG21 ILE 63 47.503 1.554 -1.533
115 HG22 ILE 63 HG22 ILE 63 47.780 0.903 -3.148
116 HG23 ILE 63 HG23 ILE 63 46.398 1.956 -2.847
117 HD11 ILE 63 HD11 ILE 63 45.833 5.235 -2.030
118 HD12 ILE 63 HD12 ILE 63 45.699 3.604 -2.686
119 HD13 ILE 63 HD13 ILE 63 46.260 4.923 -3.713
120 H PHE 64 HN PHE 64 49.438 0.318 -1.911
121 HA PHE 64 HA PHE 64 50.666 -0.696 -4.350
122 HB2 PHE 64 HB2 PHE 64 51.717 -1.195 -1.572
123 HB3 PHE 64 HB1 PHE 64 51.997 -2.341 -2.877
124 HD1 PHE 64 HD2 PHE 64 52.685 1.062 -1.671
125 HD2 PHE 64 HD1 PHE 64 53.583 -1.901 -4.591
126 HE1 PHE 64 HE2 PHE 64 54.649 2.363 -2.381
127 HE2 PHE 64 HE1 PHE 64 55.551 -0.607 -5.304
128 HZ PHE 64 HZ PHE 64 56.086 1.526 -4.198
129 HA PRO 65 HA PRO 65 47.290 -3.542 -3.842
130 HB2 PRO 65 HB2 PRO 65 48.137 -5.510 -5.534
131 HB3 PRO 65 HB1 PRO 65 47.403 -4.000 -6.084
132 HG2 PRO 65 HG2 PRO 65 50.288 -4.769 -5.955
133 HG3 PRO 65 HG1 PRO 65 49.421 -3.879 -7.219
134 HD2 PRO 65 HD2 PRO 65 50.979 -2.647 -5.378
135 HD3 PRO 65 HD1 PRO 65 49.532 -1.886 -6.070
136 H ALA 66 HN ALA 66 46.822 -5.600 -2.934
137 HA ALA 66 HA ALA 66 48.349 -6.372 -0.778
138 HB1 ALA 66 HB1 ALA 66 46.584 -7.652 -0.365
139 HB2 ALA 66 HB2 ALA 66 46.899 -8.642 -1.789
140 HB3 ALA 66 HB3 ALA 66 45.934 -7.174 -1.934
141 H THR 67 HN THR 67 48.570 -7.470 -4.102
142 HA THR 67 HA THR 67 50.345 -9.647 -3.508
143 HB THR 67 HB THR 67 50.679 -9.357 -6.137
144 HG1 THR 67 HG1 THR 67 49.489 -7.804 -6.858
145 HG21 THR 67 HG21 THR 67 48.826 -10.814 -4.516
146 HG22 THR 67 HG22 THR 67 49.566 -11.262 -6.054
147 HG23 THR 67 HG23 THR 67 48.064 -10.339 -6.035
148 H GLU 68 HN GLU 68 50.754 -6.339 -3.583
149 HA GLU 68 HA GLU 68 53.516 -6.515 -4.508
150 HB2 GLU 68 HB2 GLU 68 51.483 -4.399 -4.482
151 HB3 GLU 68 HB1 GLU 68 53.084 -3.858 -4.005
152 HG2 GLU 68 HG2 GLU 68 52.578 -3.616 -6.429
153 HG3 GLU 68 HG1 GLU 68 54.029 -4.550 -6.068
154 H LYS 69 HN LYS 69 52.548 -7.495 -1.885
155 HA LYS 69 HA LYS 69 53.221 -5.769 0.203
156 HB2 LYS 69 HB2 LYS 69 52.126 -8.127 0.245
157 HB3 LYS 69 HB1 LYS 69 53.781 -8.717 0.337
158 HG2 LYS 69 HG2 LYS 69 53.469 -6.646 2.257
159 HG3 LYS 69 HG1 LYS 69 52.121 -7.772 2.425
160 HD2 LYS 69 HD2 LYS 69 53.614 -8.863 3.740
161 HD3 LYS 69 HD1 LYS 69 54.117 -9.534 2.187
162 HE2 LYS 69 HE2 LYS 69 55.780 -7.651 2.038
163 HE3 LYS 69 HE1 LYS 69 55.373 -7.258 3.708
164 HZ1 LYS 69 HZ1 LYS 69 56.805 -9.589 2.644
165 HZ2 LYS 69 HZ2 LYS 69 55.918 -9.763 4.073
166 HZ3 LYS 69 HZ3 LYS 69 57.166 -8.626 3.988
167 H GLN 70 HN GLN 70 55.213 -7.832 -1.816
168 HA GLN 70 HA GLN 70 57.604 -7.581 -0.317
169 HB2 GLN 70 HB2 GLN 70 57.078 -9.303 -2.119
170 HB3 GLN 70 HB1 GLN 70 57.447 -8.044 -3.291
171 HG2 GLN 70 HG2 GLN 70 59.374 -9.431 -2.994
172 HG3 GLN 70 HG1 GLN 70 59.700 -7.839 -2.311
173 HE21 GLN 70 HE21 GLN 70 61.425 -9.153 -1.264
174 HE22 GLN 70 HE22 GLN 70 61.052 -9.905 0.246
175 H ILE 71 HN ILE 71 56.384 -5.891 -3.174
176 HA ILE 71 HA ILE 71 58.587 -4.118 -3.401
177 HB ILE 71 HB ILE 71 55.773 -3.720 -4.430
178 HG12 ILE 71 HG12 ILE 71 57.194 -4.489 -6.590
179 HG13 ILE 71 HG11 ILE 71 58.041 -5.400 -5.344
180 HG21 ILE 71 HG21 ILE 71 58.357 -2.549 -5.447
181 HG22 ILE 71 HG22 ILE 71 57.243 -1.704 -4.371
182 HG23 ILE 71 HG23 ILE 71 56.721 -2.173 -5.990
183 HD11 ILE 71 HD11 ILE 71 55.314 -5.782 -4.852
184 HD12 ILE 71 HD12 ILE 71 56.470 -6.945 -5.499
185 HD13 ILE 71 HD13 ILE 71 55.526 -5.937 -6.596
186 H PHE 72 HN PHE 72 55.589 -4.053 -1.605
187 HA PHE 72 HA PHE 72 55.597 -1.295 -0.965
188 HB2 PHE 72 HB2 PHE 72 53.565 -2.589 -0.720
189 HB3 PHE 72 HB1 PHE 72 54.338 -3.653 0.450
190 HD1 PHE 72 HD2 PHE 72 53.664 -0.015 -0.042
191 HD2 PHE 72 HD1 PHE 72 53.896 -3.287 2.668
192 HE1 PHE 72 HE2 PHE 72 52.908 1.450 1.786
193 HE2 PHE 72 HE1 PHE 72 53.138 -1.829 4.500
194 HZ PHE 72 HZ PHE 72 52.645 0.543 4.060
195 H GLU 73 HN GLU 73 57.039 -4.130 0.535
196 HA GLU 73 HA GLU 73 57.891 -2.775 2.898
197 HB2 GLU 73 HB2 GLU 73 58.254 -5.454 1.699
198 HB3 GLU 73 HB1 GLU 73 59.570 -4.908 2.730
199 HG2 GLU 73 HG2 GLU 73 57.675 -4.348 4.411
200 HG3 GLU 73 HG1 GLU 73 56.723 -5.463 3.430
201 H ASP 74 HN ASP 74 59.268 -3.495 -0.243
202 HA ASP 74 HA ASP 74 61.884 -2.593 0.372
203 HB2 ASP 74 HB2 ASP 74 60.417 -3.396 -2.075
204 HB3 ASP 74 HB1 ASP 74 61.803 -2.333 -2.309
205 H HIS 75 HN HIS 75 59.067 -1.118 -1.153
206 HA HIS 75 HA HIS 75 60.170 1.315 -1.909
207 HB2 HIS 75 HB2 HIS 75 57.942 0.670 -2.611
208 HB3 HIS 75 HB1 HIS 75 57.376 0.687 -0.945
209 HD1 HIS 75 HD1 HIS 75 57.555 2.789 -3.894
210 HD2 HIS 75 HD2 HIS 75 57.515 3.390 0.222
211 HE1 HIS 75 HE1 HIS 75 56.925 5.213 -3.529
212 H VAL 76 HN VAL 76 58.448 0.540 1.096
213 HA VAL 76 HA VAL 76 58.899 2.995 2.384
214 HB VAL 76 HB VAL 76 58.582 0.263 3.649
215 HG11 VAL 76 HG11 VAL 76 57.941 2.941 4.864
216 HG12 VAL 76 HG12 VAL 76 59.476 2.111 5.116
217 HG13 VAL 76 HG13 VAL 76 57.972 1.367 5.658
218 HG21 VAL 76 HG21 VAL 76 56.240 0.668 3.723
219 HG22 VAL 76 HG22 VAL 76 56.764 0.967 2.065
220 HG23 VAL 76 HG23 VAL 76 56.444 2.323 3.147
221 H PHE 77 HN PHE 77 60.773 0.052 2.130
222 HA PHE 77 HA PHE 77 62.748 0.548 4.038
223 HB2 PHE 77 HB2 PHE 77 62.324 -1.301 1.898
224 HB3 PHE 77 HB1 PHE 77 63.969 -0.688 1.778
225 HD1 PHE 77 HD2 PHE 77 65.193 -0.561 4.169
226 HD2 PHE 77 HD1 PHE 77 62.020 -3.200 3.131
227 HE1 PHE 77 HE2 PHE 77 65.897 -2.104 5.953
228 HE2 PHE 77 HE1 PHE 77 62.717 -4.746 4.912
229 HZ PHE 77 HZ PHE 77 64.658 -4.199 6.326
230 H CYS 78 HN CYS 78 62.254 1.833 0.828
231 HA CYS 78 HA CYS 78 64.835 2.954 0.526
232 HB2 CYS 78 HB2 CYS 78 62.690 2.650 -1.138
233 HB3 CYS 78 HB1 CYS 78 62.617 4.375 -0.793
234 HG CYS 78 HG CYS 78 64.494 3.102 -2.710
235 H HIS 79 HN HIS 79 61.756 4.259 1.651
236 HA HIS 79 HA HIS 79 62.724 6.851 2.228
237 HB2 HIS 79 HB2 HIS 79 60.424 5.274 3.401
238 HB3 HIS 79 HB1 HIS 79 60.748 6.957 3.796
239 HD1 HIS 79 HD1 HIS 79 60.470 8.690 1.749
240 HD2 HIS 79 HD2 HIS 79 59.033 4.845 1.124
241 HE1 HIS 79 HE1 HIS 79 58.914 8.829 -0.240
242 H SER 80 HN SER 80 63.214 3.796 3.660
243 HA SER 80 HA SER 80 63.766 4.716 6.323
244 HB2 SER 80 HB2 SER 80 63.592 2.177 4.956
245 HB3 SER 80 HB1 SER 80 65.040 2.241 5.959
246 HG SER 80 HG SER 80 62.760 1.632 6.838
247 H LEU 81 HN LEU 81 65.479 4.706 3.391
248 HA LEU 81 HA LEU 81 68.105 4.512 4.492
249 HB2 LEU 81 HB2 LEU 81 67.237 5.588 1.818
250 HB3 LEU 81 HB1 LEU 81 68.869 5.117 2.269
251 HG LEU 81 HG LEU 81 66.696 3.105 2.518
252 HD11 LEU 81 HD11 LEU 81 66.839 2.477 0.209
253 HD12 LEU 81 HD12 LEU 81 68.070 3.701 -0.103
254 HD13 LEU 81 HD13 LEU 81 66.419 4.189 0.281
255 HD21 LEU 81 HD21 LEU 81 69.650 3.136 2.061
256 HD22 LEU 81 HD22 LEU 81 68.701 1.724 1.598
257 HD23 LEU 81 HD23 LEU 81 68.710 2.269 3.275
Start of MODEL 16
1 H1 GLN 49 HT1 GLN 49 31.769 1.860 0.495
2 H2 GLN 49 HT2 GLN 49 33.263 1.777 -0.345
3 H3 GLN 49 HT3 GLN 49 32.960 3.067 0.746
4 HA GLN 49 HA GLN 49 33.073 1.710 2.582
5 HB2 GLN 49 HB2 GLN 49 33.288 -0.768 2.313
6 HB3 GLN 49 HB1 GLN 49 31.742 -0.123 1.774
7 HG2 GLN 49 HG2 GLN 49 32.048 -0.850 -0.302
8 HG3 GLN 49 HG1 GLN 49 33.694 -0.223 -0.367
9 HE21 GLN 49 HE21 GLN 49 34.990 -1.800 -0.974
10 HE22 GLN 49 HE22 GLN 49 34.983 -3.415 -0.361
11 H MET 50 HN MET 50 34.996 0.377 3.370
12 HA MET 50 HA MET 50 37.361 0.973 1.716
13 HB2 MET 50 HB2 MET 50 36.811 1.512 4.593
14 HB3 MET 50 HB1 MET 50 38.450 1.065 4.141
15 HG2 MET 50 HG2 MET 50 38.843 3.018 3.093
16 HG3 MET 50 HG1 MET 50 37.190 3.156 2.497
17 HE1 MET 50 HE1 MET 50 39.051 5.134 6.079
18 HE2 MET 50 HE2 MET 50 39.464 5.327 4.376
19 HE3 MET 50 HE3 MET 50 39.729 3.779 5.178
20 H GLN 51 HN GLN 51 38.948 -0.558 1.593
21 HA GLN 51 HA GLN 51 38.697 -2.979 3.214
22 HB2 GLN 51 HB2 GLN 51 38.048 -2.778 0.395
23 HB3 GLN 51 HB1 GLN 51 39.344 -3.935 0.669
24 HG2 GLN 51 HG2 GLN 51 37.493 -4.519 2.642
25 HG3 GLN 51 HG1 GLN 51 36.514 -4.149 1.224
26 HE21 GLN 51 HE21 GLN 51 35.842 -6.174 0.746
27 HE22 GLN 51 HE22 GLN 51 36.895 -7.458 0.270
28 HA PRO 52 HA PRO 52 43.087 -1.805 3.202
29 HB2 PRO 52 HB2 PRO 52 43.222 -3.893 5.283
30 HB3 PRO 52 HB1 PRO 52 43.694 -2.194 5.364
31 HG2 PRO 52 HG2 PRO 52 41.516 -3.103 6.634
32 HG3 PRO 52 HG1 PRO 52 41.560 -1.489 5.901
33 HD2 PRO 52 HD2 PRO 52 40.303 -4.005 4.869
34 HD3 PRO 52 HD1 PRO 52 39.678 -2.343 4.845
35 H LEU 53 HN LEU 53 42.754 -3.097 1.046
36 HA LEU 53 HA LEU 53 44.036 -5.726 1.256
37 HB2 LEU 53 HB2 LEU 53 41.780 -5.172 -0.032
38 HB3 LEU 53 HB1 LEU 53 42.900 -4.730 -1.308
39 HG LEU 53 HG LEU 53 43.922 -7.065 -0.968
40 HD11 LEU 53 HD11 LEU 53 42.750 -7.474 1.186
41 HD12 LEU 53 HD12 LEU 53 42.505 -8.745 -0.012
42 HD13 LEU 53 HD13 LEU 53 41.232 -7.562 0.293
43 HD21 LEU 53 HD21 LEU 53 41.811 -8.054 -2.216
44 HD22 LEU 53 HD22 LEU 53 42.868 -6.868 -2.982
45 HD23 LEU 53 HD23 LEU 53 41.343 -6.354 -2.260
46 H CYS 54 HN CYS 54 45.482 -3.234 1.510
47 HA CYS 54 HA CYS 54 47.643 -3.785 -0.237
48 HB2 CYS 54 HB2 CYS 54 47.648 -1.719 -1.544
49 HB3 CYS 54 HB1 CYS 54 46.184 -2.643 -1.862
50 HG CYS 54 HG CYS 54 45.036 -0.881 -0.106
51 H PHE 55 HN PHE 55 49.096 -1.540 -0.204
52 HA PHE 55 HA PHE 55 49.035 -0.486 2.527
53 HB2 PHE 55 HB2 PHE 55 51.457 -1.743 1.221
54 HB3 PHE 55 HB1 PHE 55 51.482 -0.850 2.737
55 HD1 PHE 55 HD2 PHE 55 50.279 -1.759 4.716
56 HD2 PHE 55 HD1 PHE 55 50.788 -4.002 1.135
57 HE1 PHE 55 HE2 PHE 55 49.769 -3.829 5.944
58 HE2 PHE 55 HE1 PHE 55 50.278 -6.076 2.357
59 HZ PHE 55 HZ PHE 55 49.768 -5.991 4.765
60 H ASN 56 HN ASN 56 49.030 1.650 2.384
61 HA ASN 56 HA ASN 56 49.992 2.975 -0.006
62 HB2 ASN 56 HB2 ASN 56 48.475 3.841 2.433
63 HB3 ASN 56 HB1 ASN 56 49.229 5.048 1.396
64 HD21 ASN 56 HD21 ASN 56 48.315 5.548 -0.521
65 HD22 ASN 56 HD22 ASN 56 46.838 4.861 -1.100
66 H CYS 57 HN CYS 57 51.835 4.121 -0.207
67 HA CYS 57 HA CYS 57 53.858 3.828 1.792
68 HB2 CYS 57 HB2 CYS 57 54.469 3.771 -0.558
69 HB3 CYS 57 HB1 CYS 57 53.829 5.392 -0.793
70 HA PRO 58 HA PRO 58 52.876 7.679 3.825
71 HB2 PRO 58 HB2 PRO 58 54.526 7.436 5.902
72 HB3 PRO 58 HB1 PRO 58 53.132 6.363 5.719
73 HG2 PRO 58 HG2 PRO 58 56.016 5.836 5.154
74 HG3 PRO 58 HG1 PRO 58 54.797 4.762 5.860
75 HD2 PRO 58 HD2 PRO 58 55.618 4.762 3.193
76 HD3 PRO 58 HD1 PRO 58 54.129 4.025 3.815
77 H ILE 59 HN ILE 59 55.084 7.461 1.668
78 HA ILE 59 HA ILE 59 56.593 9.815 2.585
79 HB ILE 59 HB ILE 59 57.765 7.813 0.675
80 HG12 ILE 59 HG12 ILE 59 57.178 6.746 2.902
81 HG13 ILE 59 HG11 ILE 59 58.879 6.685 2.457
82 HG21 ILE 59 HG21 ILE 59 58.798 10.115 2.293
83 HG22 ILE 59 HG22 ILE 59 58.920 9.832 0.557
84 HG23 ILE 59 HG23 ILE 59 59.881 8.870 1.677
85 HD11 ILE 59 HD11 ILE 59 57.689 8.718 4.324
86 HD12 ILE 59 HD12 ILE 59 59.399 8.459 3.976
87 HD13 ILE 59 HD13 ILE 59 58.476 7.225 4.834
88 H CYS 60 HN CYS 60 55.714 7.960 -0.363
89 HA CYS 60 HA CYS 60 55.458 10.568 -1.727
90 HB2 CYS 60 HB2 CYS 60 56.002 9.508 -3.801
91 HB3 CYS 60 HB1 CYS 60 57.214 9.024 -2.620
92 H ASP 61 HN ASP 61 53.631 8.162 -0.400
93 HA ASP 61 HA ASP 61 51.355 7.937 -0.353
94 HB2 ASP 61 HB2 ASP 61 51.450 10.302 -1.547
95 HB3 ASP 61 HB1 ASP 61 50.936 9.358 -2.943
96 H LYS 62 HN LYS 62 53.475 6.546 -2.210
97 HA LYS 62 HA LYS 62 52.124 5.438 -4.381
98 HB2 LYS 62 HB2 LYS 62 54.577 4.898 -2.909
99 HB3 LYS 62 HB1 LYS 62 53.833 3.425 -3.513
100 HG2 LYS 62 HG2 LYS 62 53.890 5.537 -5.506
101 HG3 LYS 62 HG1 LYS 62 55.497 5.106 -4.919
102 HD2 LYS 62 HD2 LYS 62 54.703 2.665 -5.287
103 HD3 LYS 62 HD1 LYS 62 53.468 3.399 -6.312
104 HE2 LYS 62 HE2 LYS 62 54.945 3.929 -7.929
105 HE3 LYS 62 HE1 LYS 62 56.207 4.358 -6.775
106 HZ1 LYS 62 HZ1 LYS 62 56.580 2.325 -8.234
107 HZ2 LYS 62 HZ2 LYS 62 55.449 1.542 -7.250
108 HZ3 LYS 62 HZ3 LYS 62 56.877 2.150 -6.577
109 H ILE 63 HN ILE 63 51.801 2.887 -4.436
110 HA ILE 63 HA ILE 63 50.444 1.945 -2.030
111 HB ILE 63 HB ILE 63 49.040 1.984 -4.699
112 HG12 ILE 63 HG12 ILE 63 48.570 3.693 -2.245
113 HG13 ILE 63 HG11 ILE 63 49.218 4.253 -3.784
114 HG21 ILE 63 HG21 ILE 63 48.301 0.122 -3.443
115 HG22 ILE 63 HG22 ILE 63 47.069 1.368 -3.239
116 HG23 ILE 63 HG23 ILE 63 48.236 1.061 -1.952
117 HD11 ILE 63 HD11 ILE 63 46.745 2.944 -4.272
118 HD12 ILE 63 HD12 ILE 63 47.171 4.639 -4.512
119 HD13 ILE 63 HD13 ILE 63 46.527 4.103 -2.960
120 H PHE 64 HN PHE 64 50.216 -0.295 -1.906
121 HA PHE 64 HA PHE 64 51.198 -1.919 -4.118
122 HB2 PHE 64 HB2 PHE 64 52.440 -1.879 -1.364
123 HB3 PHE 64 HB1 PHE 64 52.685 -3.187 -2.514
124 HD1 PHE 64 HD2 PHE 64 53.208 0.430 -1.964
125 HD2 PHE 64 HD1 PHE 64 54.267 -3.009 -4.236
126 HE1 PHE 64 HE2 PHE 64 55.074 1.676 -2.972
127 HE2 PHE 64 HE1 PHE 64 56.136 -1.769 -5.248
128 HZ PHE 64 HZ PHE 64 56.540 0.575 -4.615
129 HA PRO 65 HA PRO 65 47.727 -4.404 -2.881
130 HB2 PRO 65 HB2 PRO 65 48.779 -6.835 -3.780
131 HB3 PRO 65 HB1 PRO 65 47.808 -5.712 -4.733
132 HG2 PRO 65 HG2 PRO 65 50.763 -6.068 -4.652
133 HG3 PRO 65 HG1 PRO 65 49.715 -5.664 -6.024
134 HD2 PRO 65 HD2 PRO 65 51.235 -3.807 -4.822
135 HD3 PRO 65 HD1 PRO 65 49.617 -3.420 -5.448
136 H ALA 66 HN ALA 66 47.169 -5.774 -1.221
137 HA ALA 66 HA ALA 66 48.806 -5.906 1.009
138 HB1 ALA 66 HB1 ALA 66 46.491 -6.102 1.352
139 HB2 ALA 66 HB2 ALA 66 47.158 -7.671 1.804
140 HB3 ALA 66 HB3 ALA 66 46.358 -7.469 0.245
141 H THR 67 HN THR 67 48.617 -8.061 -1.709
142 HA THR 67 HA THR 67 49.930 -10.260 -0.411
143 HB THR 67 HB THR 67 50.219 -10.856 -3.007
144 HG1 THR 67 HG1 THR 67 49.216 -9.500 -4.224
145 HG21 THR 67 HG21 THR 67 48.901 -12.220 -1.545
146 HG22 THR 67 HG22 THR 67 47.961 -11.854 -2.993
147 HG23 THR 67 HG23 THR 67 47.629 -11.000 -1.486
148 H GLU 68 HN GLU 68 50.920 -7.370 -1.986
149 HA GLU 68 HA GLU 68 53.622 -8.393 -2.373
150 HB2 GLU 68 HB2 GLU 68 52.218 -5.918 -3.347
151 HB3 GLU 68 HB1 GLU 68 53.961 -6.108 -3.474
152 HG2 GLU 68 HG2 GLU 68 51.872 -7.877 -4.723
153 HG3 GLU 68 HG1 GLU 68 52.898 -6.709 -5.553
154 H LYS 69 HN LYS 69 52.587 -7.926 0.285
155 HA LYS 69 HA LYS 69 53.287 -5.531 1.460
156 HB2 LYS 69 HB2 LYS 69 52.165 -7.281 2.707
157 HB3 LYS 69 HB1 LYS 69 53.568 -8.331 2.566
158 HG2 LYS 69 HG2 LYS 69 53.316 -7.270 4.791
159 HG3 LYS 69 HG1 LYS 69 54.854 -6.918 4.003
160 HD2 LYS 69 HD2 LYS 69 54.401 -4.716 3.822
161 HD3 LYS 69 HD1 LYS 69 52.699 -4.995 3.450
162 HE2 LYS 69 HE2 LYS 69 53.164 -3.816 5.629
163 HE3 LYS 69 HE1 LYS 69 52.145 -5.251 5.737
164 HZ1 LYS 69 HZ1 LYS 69 53.690 -6.369 6.905
165 HZ2 LYS 69 HZ2 LYS 69 54.241 -4.822 7.309
166 HZ3 LYS 69 HZ3 LYS 69 54.996 -5.691 6.070
167 H GLN 70 HN GLN 70 55.338 -8.094 0.301
168 HA GLN 70 HA GLN 70 57.720 -7.309 1.624
169 HB2 GLN 70 HB2 GLN 70 57.017 -9.472 0.164
170 HB3 GLN 70 HB1 GLN 70 57.944 -8.587 -1.038
171 HG2 GLN 70 HG2 GLN 70 59.320 -8.652 1.494
172 HG3 GLN 70 HG1 GLN 70 58.924 -10.277 0.936
173 HE21 GLN 70 HE21 GLN 70 60.804 -7.439 0.393
174 HE22 GLN 70 HE22 GLN 70 61.784 -8.070 -0.882
175 H ILE 71 HN ILE 71 56.282 -6.496 -1.486
176 HA ILE 71 HA ILE 71 58.473 -4.943 -2.425
177 HB ILE 71 HB ILE 71 55.596 -4.621 -3.270
178 HG12 ILE 71 HG12 ILE 71 56.103 -6.987 -3.391
179 HG13 ILE 71 HG11 ILE 71 56.104 -6.319 -5.020
180 HG21 ILE 71 HG21 ILE 71 57.398 -2.984 -4.002
181 HG22 ILE 71 HG22 ILE 71 56.445 -3.742 -5.277
182 HG23 ILE 71 HG23 ILE 71 58.076 -4.318 -4.936
183 HD11 ILE 71 HD11 ILE 71 58.139 -7.773 -3.701
184 HD12 ILE 71 HD12 ILE 71 58.743 -6.144 -4.009
185 HD13 ILE 71 HD13 ILE 71 58.133 -7.125 -5.341
186 H PHE 72 HN PHE 72 55.663 -4.295 -0.456
187 HA PHE 72 HA PHE 72 55.822 -1.450 -0.599
188 HB2 PHE 72 HB2 PHE 72 53.729 -2.543 0.004
189 HB3 PHE 72 HB1 PHE 72 54.482 -3.258 1.425
190 HD1 PHE 72 HD2 PHE 72 53.839 0.074 -0.115
191 HD2 PHE 72 HD1 PHE 72 54.239 -2.204 3.457
192 HE1 PHE 72 HE2 PHE 72 53.200 2.044 1.208
193 HE2 PHE 72 HE1 PHE 72 53.599 -0.236 4.788
194 HZ PHE 72 HZ PHE 72 53.078 1.893 3.663
195 H GLU 73 HN GLU 73 57.262 -3.915 1.416
196 HA GLU 73 HA GLU 73 58.206 -2.122 3.432
197 HB2 GLU 73 HB2 GLU 73 58.000 -4.881 3.169
198 HB3 GLU 73 HB1 GLU 73 59.733 -4.590 3.136
199 HG2 GLU 73 HG2 GLU 73 58.261 -3.159 5.235
200 HG3 GLU 73 HG1 GLU 73 58.282 -4.916 5.382
201 H ASP 74 HN ASP 74 59.473 -3.534 0.484
202 HA ASP 74 HA ASP 74 62.121 -2.578 0.815
203 HB2 ASP 74 HB2 ASP 74 60.556 -3.768 -1.431
204 HB3 ASP 74 HB1 ASP 74 62.069 -2.947 -1.805
205 H HIS 75 HN HIS 75 59.291 -1.407 -0.935
206 HA HIS 75 HA HIS 75 60.458 0.782 -2.206
207 HB2 HIS 75 HB2 HIS 75 58.240 0.050 -2.815
208 HB3 HIS 75 HB1 HIS 75 57.638 0.393 -1.197
209 HD1 HIS 75 HD1 HIS 75 57.925 1.889 -4.495
210 HD2 HIS 75 HD2 HIS 75 57.764 3.268 -0.573
211 HE1 HIS 75 HE1 HIS 75 57.297 4.337 -4.619
212 H VAL 76 HN VAL 76 58.673 0.703 0.863
213 HA VAL 76 HA VAL 76 59.135 3.371 1.593
214 HB VAL 76 HB VAL 76 58.809 0.999 3.442
215 HG11 VAL 76 HG11 VAL 76 57.736 3.601 4.246
216 HG12 VAL 76 HG12 VAL 76 59.494 3.555 4.118
217 HG13 VAL 76 HG13 VAL 76 58.656 2.417 5.174
218 HG21 VAL 76 HG21 VAL 76 56.578 1.012 3.100
219 HG22 VAL 76 HG22 VAL 76 57.035 1.703 1.543
220 HG23 VAL 76 HG23 VAL 76 56.517 2.758 2.857
221 H PHE 77 HN PHE 77 60.969 0.423 2.089
222 HA PHE 77 HA PHE 77 62.934 1.356 3.832
223 HB2 PHE 77 HB2 PHE 77 62.659 -1.026 3.187
224 HB3 PHE 77 HB1 PHE 77 63.283 -0.646 1.585
225 HD1 PHE 77 HD1 PHE 77 65.647 0.318 1.441
226 HD2 PHE 77 HD2 PHE 77 64.103 -1.607 4.908
227 HE1 PHE 77 HE1 PHE 77 67.940 -0.074 2.240
228 HE2 PHE 77 HE2 PHE 77 66.394 -2.001 5.714
229 HZ PHE 77 HZ PHE 77 68.317 -1.235 4.379
230 H CYS 78 HN CYS 78 62.477 1.818 0.401
231 HA CYS 78 HA CYS 78 65.062 2.795 -0.170
232 HB2 CYS 78 HB2 CYS 78 63.416 2.054 -1.908
233 HB3 CYS 78 HB1 CYS 78 62.484 3.511 -1.580
234 HG CYS 78 HG CYS 78 64.430 3.500 -3.627
235 H HIS 79 HN HIS 79 62.031 4.412 0.655
236 HA HIS 79 HA HIS 79 63.069 7.038 0.646
237 HB2 HIS 79 HB2 HIS 79 60.781 5.821 2.209
238 HB3 HIS 79 HB1 HIS 79 61.146 7.542 2.192
239 HD1 HIS 79 HD1 HIS 79 60.931 8.701 -0.283
240 HD2 HIS 79 HD2 HIS 79 59.183 4.970 0.236
241 HE1 HIS 79 HE1 HIS 79 59.275 8.423 -2.177
242 H SER 80 HN SER 80 63.500 4.355 2.711
243 HA SER 80 HA SER 80 64.155 5.809 5.093
244 HB2 SER 80 HB2 SER 80 63.464 3.239 4.641
245 HB3 SER 80 HB1 SER 80 65.216 3.069 4.749
246 HG SER 80 HG SER 80 63.871 2.958 6.768
247 H LEU 81 HN LEU 81 65.799 5.140 2.203
248 HA LEU 81 HA LEU 81 68.442 5.081 3.300
249 HB2 LEU 81 HB2 LEU 81 67.565 5.564 0.461
250 HB3 LEU 81 HB1 LEU 81 69.189 5.155 0.991
251 HG LEU 81 HG LEU 81 66.975 3.310 1.707
252 HD11 LEU 81 HD11 LEU 81 68.289 3.293 -1.010
253 HD12 LEU 81 HD12 LEU 81 66.655 3.881 -0.702
254 HD13 LEU 81 HD13 LEU 81 67.052 2.187 -0.412
255 HD21 LEU 81 HD21 LEU 81 69.807 2.803 0.805
256 HD22 LEU 81 HD22 LEU 81 68.699 1.651 1.552
257 HD23 LEU 81 HD23 LEU 81 69.320 3.011 2.487
Start of MODEL 17
1 H1 GLN 49 HT1 GLN 49 36.964 5.155 2.082
2 H2 GLN 49 HT2 GLN 49 38.123 5.111 0.816
3 H3 GLN 49 HT3 GLN 49 38.590 5.599 2.394
4 HA GLN 49 HA GLN 49 37.955 3.384 3.188
5 HB2 GLN 49 HB2 GLN 49 37.030 3.267 0.469
6 HB3 GLN 49 HB1 GLN 49 38.217 1.996 0.733
7 HG2 GLN 49 HG2 GLN 49 36.789 0.785 1.919
8 HG3 GLN 49 HG1 GLN 49 36.334 2.164 2.918
9 HE21 GLN 49 HE21 GLN 49 34.596 0.121 1.984
10 HE22 GLN 49 HE22 GLN 49 33.418 0.864 0.963
11 H MET 50 HN MET 50 39.623 1.782 3.359
12 HA MET 50 HA MET 50 42.192 2.709 2.257
13 HB2 MET 50 HB2 MET 50 41.366 1.778 4.917
14 HB3 MET 50 HB1 MET 50 42.855 1.047 4.336
15 HG2 MET 50 HG2 MET 50 43.650 2.888 5.437
16 HG3 MET 50 HG1 MET 50 43.525 3.498 3.788
17 HE1 MET 50 HE1 MET 50 40.270 3.487 6.658
18 HE2 MET 50 HE2 MET 50 41.383 4.533 7.539
19 HE3 MET 50 HE3 MET 50 41.902 2.927 7.026
20 H GLN 51 HN GLN 51 40.102 -0.054 2.749
21 HA GLN 51 HA GLN 51 40.085 -2.144 1.855
22 HB2 GLN 51 HB2 GLN 51 41.547 -0.516 -0.122
23 HB3 GLN 51 HB1 GLN 51 41.817 -2.250 -0.241
24 HG2 GLN 51 HG2 GLN 51 40.031 -1.716 -1.694
25 HG3 GLN 51 HG1 GLN 51 39.337 -2.546 -0.301
26 HE21 GLN 51 HE21 GLN 51 38.986 0.012 -2.335
27 HE22 GLN 51 HE22 GLN 51 37.981 1.023 -1.359
28 HA PRO 52 HA PRO 52 43.734 -3.653 4.050
29 HB2 PRO 52 HB2 PRO 52 42.703 -6.024 4.788
30 HB3 PRO 52 HB1 PRO 52 42.258 -4.516 5.596
31 HG2 PRO 52 HG2 PRO 52 40.771 -6.056 3.505
32 HG3 PRO 52 HG1 PRO 52 40.151 -5.269 4.968
33 HD2 PRO 52 HD2 PRO 52 39.992 -4.165 2.470
34 HD3 PRO 52 HD1 PRO 52 40.055 -3.209 3.965
35 H LEU 53 HN LEU 53 42.433 -4.577 1.118
36 HA LEU 53 HA LEU 53 43.994 -6.984 0.761
37 HB2 LEU 53 HB2 LEU 53 41.685 -6.100 -0.353
38 HB3 LEU 53 HB1 LEU 53 42.833 -5.651 -1.599
39 HG LEU 53 HG LEU 53 43.599 -8.208 -1.142
40 HD11 LEU 53 HD11 LEU 53 41.611 -9.596 -0.948
41 HD12 LEU 53 HD12 LEU 53 40.612 -8.157 -0.743
42 HD13 LEU 53 HD13 LEU 53 41.808 -8.581 0.481
43 HD21 LEU 53 HD21 LEU 53 41.777 -8.624 -3.065
44 HD22 LEU 53 HD22 LEU 53 43.302 -7.784 -3.342
45 HD23 LEU 53 HD23 LEU 53 41.822 -6.861 -3.077
46 H CYS 54 HN CYS 54 44.969 -3.944 1.012
47 HA CYS 54 HA CYS 54 47.269 -4.374 -0.701
48 HB2 CYS 54 HB2 CYS 54 45.596 -1.867 -0.990
49 HB3 CYS 54 HB1 CYS 54 47.095 -2.225 -1.838
50 HG CYS 54 HG CYS 54 44.745 -2.722 -3.181
51 H PHE 55 HN PHE 55 48.559 -2.044 -0.519
52 HA PHE 55 HA PHE 55 48.485 -1.128 2.250
53 HB2 PHE 55 HB2 PHE 55 51.034 -2.155 0.985
54 HB3 PHE 55 HB1 PHE 55 50.838 -1.546 2.625
55 HD1 PHE 55 HD1 PHE 55 48.770 -2.841 3.875
56 HD2 PHE 55 HD2 PHE 55 51.294 -4.417 0.833
57 HE1 PHE 55 HE1 PHE 55 48.293 -5.122 4.666
58 HE2 PHE 55 HE2 PHE 55 50.820 -6.700 1.617
59 HZ PHE 55 HZ PHE 55 49.318 -7.055 3.536
60 H ASN 56 HN ASN 56 48.739 1.010 2.338
61 HA ASN 56 HA ASN 56 49.752 2.377 -0.054
62 HB2 ASN 56 HB2 ASN 56 48.184 3.570 2.238
63 HB3 ASN 56 HB1 ASN 56 48.528 4.319 0.682
64 HD21 ASN 56 HD21 ASN 56 46.072 4.485 1.029
65 HD22 ASN 56 HD22 ASN 56 45.134 3.235 0.294
66 H CYS 57 HN CYS 57 51.541 3.600 -0.013
67 HA CYS 57 HA CYS 57 53.255 3.492 2.276
68 HB2 CYS 57 HB2 CYS 57 54.316 3.388 0.147
69 HB3 CYS 57 HB1 CYS 57 53.483 4.829 -0.420
70 HA PRO 58 HA PRO 58 51.372 7.169 4.057
71 HB2 PRO 58 HB2 PRO 58 52.855 7.191 6.331
72 HB3 PRO 58 HB1 PRO 58 51.478 6.111 6.086
73 HG2 PRO 58 HG2 PRO 58 54.404 5.549 5.781
74 HG3 PRO 58 HG1 PRO 58 53.148 4.557 6.545
75 HD2 PRO 58 HD2 PRO 58 54.050 4.070 4.046
76 HD3 PRO 58 HD1 PRO 58 52.368 3.761 4.524
77 H ILE 59 HN ILE 59 54.647 6.735 3.082
78 HA ILE 59 HA ILE 59 55.532 9.335 3.936
79 HB ILE 59 HB ILE 59 56.873 7.553 1.909
80 HG12 ILE 59 HG12 ILE 59 58.227 7.283 4.315
81 HG13 ILE 59 HG11 ILE 59 56.534 7.245 4.797
82 HG21 ILE 59 HG21 ILE 59 57.825 9.701 1.828
83 HG22 ILE 59 HG22 ILE 59 58.905 8.760 2.854
84 HG23 ILE 59 HG23 ILE 59 57.760 9.886 3.579
85 HD11 ILE 59 HD11 ILE 59 57.723 5.040 4.232
86 HD12 ILE 59 HD12 ILE 59 57.518 5.537 2.553
87 HD13 ILE 59 HD13 ILE 59 56.106 5.320 3.585
88 H CYS 60 HN CYS 60 54.889 7.885 0.705
89 HA CYS 60 HA CYS 60 54.570 10.651 -0.275
90 HB2 CYS 60 HB2 CYS 60 55.260 9.956 -2.437
91 HB3 CYS 60 HB1 CYS 60 56.410 9.266 -1.298
92 H ASP 61 HN ASP 61 52.762 8.060 0.647
93 HA ASP 61 HA ASP 61 50.516 7.690 0.512
94 HB2 ASP 61 HB2 ASP 61 50.577 10.271 -0.154
95 HB3 ASP 61 HB1 ASP 61 50.094 9.622 -1.718
96 H LYS 62 HN LYS 62 52.468 6.275 -1.009
97 HA LYS 62 HA LYS 62 51.358 5.787 -3.622
98 HB2 LYS 62 HB2 LYS 62 53.820 5.255 -2.312
99 HB3 LYS 62 HB1 LYS 62 53.157 3.710 -2.826
100 HG2 LYS 62 HG2 LYS 62 53.117 5.905 -4.805
101 HG3 LYS 62 HG1 LYS 62 54.690 5.223 -4.390
102 HD2 LYS 62 HD2 LYS 62 53.249 2.963 -4.721
103 HD3 LYS 62 HD1 LYS 62 52.434 4.030 -5.865
104 HE2 LYS 62 HE2 LYS 62 55.014 4.573 -6.443
105 HE3 LYS 62 HE1 LYS 62 55.150 2.890 -5.934
106 HZ1 LYS 62 HZ1 LYS 62 53.630 2.219 -7.594
107 HZ2 LYS 62 HZ2 LYS 62 54.729 3.252 -8.359
108 HZ3 LYS 62 HZ3 LYS 62 53.186 3.813 -7.954
109 H ILE 63 HN ILE 63 51.320 3.164 -4.055
110 HA ILE 63 HA ILE 63 49.755 1.860 -1.969
111 HB ILE 63 HB ILE 63 48.673 2.163 -4.768
112 HG12 ILE 63 HG12 ILE 63 47.783 3.483 -2.195
113 HG13 ILE 63 HG11 ILE 63 48.571 4.290 -3.546
114 HG21 ILE 63 HG21 ILE 63 47.619 0.273 -4.158
115 HG22 ILE 63 HG22 ILE 63 46.602 1.361 -3.211
116 HG23 ILE 63 HG23 ILE 63 47.950 0.520 -2.443
117 HD11 ILE 63 HD11 ILE 63 46.238 2.880 -4.444
118 HD12 ILE 63 HD12 ILE 63 46.633 4.595 -4.563
119 HD13 ILE 63 HD13 ILE 63 45.839 3.971 -3.117
120 H PHE 64 HN PHE 64 49.735 -0.371 -2.087
121 HA PHE 64 HA PHE 64 50.967 -1.704 -4.355
122 HB2 PHE 64 HB2 PHE 64 52.138 -1.735 -1.574
123 HB3 PHE 64 HB1 PHE 64 52.511 -2.965 -2.777
124 HD1 PHE 64 HD1 PHE 64 52.698 0.670 -2.094
125 HD2 PHE 64 HD2 PHE 64 54.153 -2.600 -4.396
126 HE1 PHE 64 HE1 PHE 64 54.488 2.101 -2.987
127 HE2 PHE 64 HE2 PHE 64 55.946 -1.174 -5.294
128 HZ PHE 64 HZ PHE 64 56.115 1.178 -4.587
129 HA PRO 65 HA PRO 65 47.616 -4.496 -3.401
130 HB2 PRO 65 HB2 PRO 65 48.879 -6.730 -4.559
131 HB3 PRO 65 HB1 PRO 65 47.747 -5.634 -5.353
132 HG2 PRO 65 HG2 PRO 65 50.716 -5.683 -5.446
133 HG3 PRO 65 HG1 PRO 65 49.558 -5.209 -6.699
134 HD2 PRO 65 HD2 PRO 65 50.983 -3.389 -5.333
135 HD3 PRO 65 HD1 PRO 65 49.307 -3.073 -5.833
136 H ALA 66 HN ALA 66 47.184 -6.189 -1.978
137 HA ALA 66 HA ALA 66 48.849 -6.401 0.248
138 HB1 ALA 66 HB1 ALA 66 46.661 -6.856 0.754
139 HB2 ALA 66 HB2 ALA 66 47.326 -8.488 0.697
140 HB3 ALA 66 HB3 ALA 66 46.422 -7.856 -0.679
141 H THR 67 HN THR 67 48.748 -8.262 -2.684
142 HA THR 67 HA THR 67 50.243 -10.485 -1.653
143 HB THR 67 HB THR 67 50.501 -10.795 -4.295
144 HG1 THR 67 HG1 THR 67 49.588 -8.832 -4.864
145 HG21 THR 67 HG21 THR 67 48.171 -11.799 -4.320
146 HG22 THR 67 HG22 THR 67 48.057 -11.291 -2.636
147 HG23 THR 67 HG23 THR 67 49.308 -12.431 -3.130
148 H GLU 68 HN GLU 68 50.996 -7.378 -2.900
149 HA GLU 68 HA GLU 68 53.740 -8.158 -3.488
150 HB2 GLU 68 HB2 GLU 68 52.132 -5.691 -4.079
151 HB3 GLU 68 HB1 GLU 68 53.883 -5.696 -4.232
152 HG2 GLU 68 HG2 GLU 68 53.693 -7.584 -5.819
153 HG3 GLU 68 HG1 GLU 68 51.938 -7.440 -5.726
154 H LYS 69 HN LYS 69 52.830 -8.177 -0.773
155 HA LYS 69 HA LYS 69 53.432 -5.909 0.706
156 HB2 LYS 69 HB2 LYS 69 52.441 -8.113 1.516
157 HB3 LYS 69 HB1 LYS 69 54.093 -8.709 1.606
158 HG2 LYS 69 HG2 LYS 69 53.480 -6.152 2.973
159 HG3 LYS 69 HG1 LYS 69 52.862 -7.640 3.689
160 HD2 LYS 69 HD2 LYS 69 55.625 -7.920 2.868
161 HD3 LYS 69 HD1 LYS 69 55.414 -6.574 3.990
162 HE2 LYS 69 HE2 LYS 69 54.084 -9.160 4.618
163 HE3 LYS 69 HE1 LYS 69 55.829 -9.043 4.841
164 HZ1 LYS 69 HZ1 LYS 69 54.172 -8.408 6.748
165 HZ2 LYS 69 HZ2 LYS 69 54.145 -6.918 5.949
166 HZ3 LYS 69 HZ3 LYS 69 55.608 -7.543 6.523
167 H GLN 70 HN GLN 70 55.544 -8.140 -0.901
168 HA GLN 70 HA GLN 70 57.923 -7.526 0.516
169 HB2 GLN 70 HB2 GLN 70 57.572 -9.541 -0.938
170 HB3 GLN 70 HB1 GLN 70 57.693 -8.482 -2.338
171 HG2 GLN 70 HG2 GLN 70 59.955 -7.879 -0.893
172 HG3 GLN 70 HG1 GLN 70 59.778 -9.619 -0.671
173 HE21 GLN 70 HE21 GLN 70 59.899 -7.084 -3.119
174 HE22 GLN 70 HE22 GLN 70 60.566 -8.071 -4.370
175 H ILE 71 HN ILE 71 56.614 -6.382 -2.569
176 HA ILE 71 HA ILE 71 58.688 -4.522 -3.078
177 HB ILE 71 HB ILE 71 55.854 -4.393 -4.113
178 HG12 ILE 71 HG12 ILE 71 57.991 -5.589 -5.774
179 HG13 ILE 71 HG11 ILE 71 57.465 -6.557 -4.401
180 HG21 ILE 71 HG21 ILE 71 56.626 -2.989 -5.781
181 HG22 ILE 71 HG22 ILE 71 58.301 -3.498 -5.578
182 HG23 ILE 71 HG23 ILE 71 57.547 -2.446 -4.379
183 HD11 ILE 71 HD11 ILE 71 56.282 -6.419 -6.900
184 HD12 ILE 71 HD12 ILE 71 55.213 -5.490 -5.849
185 HD13 ILE 71 HD13 ILE 71 55.611 -7.161 -5.447
186 H PHE 72 HN PHE 72 55.696 -4.373 -1.281
187 HA PHE 72 HA PHE 72 55.558 -1.547 -1.052
188 HB2 PHE 72 HB2 PHE 72 53.580 -2.888 -0.664
189 HB3 PHE 72 HB1 PHE 72 54.372 -3.747 0.652
190 HD1 PHE 72 HD2 PHE 72 53.392 -0.301 -0.368
191 HD2 PHE 72 HD1 PHE 72 54.019 -3.050 2.819
192 HE1 PHE 72 HE2 PHE 72 52.525 1.358 1.229
193 HE2 PHE 72 HE1 PHE 72 53.154 -1.396 4.422
194 HZ PHE 72 HZ PHE 72 52.406 0.812 3.628
195 H GLU 73 HN GLU 73 57.137 -4.076 0.800
196 HA GLU 73 HA GLU 73 57.861 -2.395 2.995
197 HB2 GLU 73 HB2 GLU 73 58.368 -5.178 2.148
198 HB3 GLU 73 HB1 GLU 73 59.655 -4.444 3.095
199 HG2 GLU 73 HG2 GLU 73 57.836 -3.798 4.757
200 HG3 GLU 73 HG1 GLU 73 56.803 -4.926 3.879
201 H ASP 74 HN ASP 74 59.302 -3.368 -0.041
202 HA ASP 74 HA ASP 74 61.877 -2.303 0.485
203 HB2 ASP 74 HB2 ASP 74 61.334 -4.032 -1.273
204 HB3 ASP 74 HB1 ASP 74 60.616 -2.735 -2.225
205 H HIS 75 HN HIS 75 59.013 -1.097 -1.189
206 HA HIS 75 HA HIS 75 60.042 1.314 -2.131
207 HB2 HIS 75 HB2 HIS 75 57.876 0.529 -2.861
208 HB3 HIS 75 HB1 HIS 75 57.247 0.621 -1.219
209 HD1 HIS 75 HD1 HIS 75 57.429 2.541 -4.293
210 HD2 HIS 75 HD2 HIS 75 57.208 3.401 -0.228
211 HE1 HIS 75 HE1 HIS 75 56.640 4.939 -4.107
212 H VAL 76 HN VAL 76 58.249 0.702 0.870
213 HA VAL 76 HA VAL 76 58.546 3.271 1.966
214 HB VAL 76 HB VAL 76 58.331 0.654 3.468
215 HG11 VAL 76 HG11 VAL 76 58.073 1.817 5.368
216 HG12 VAL 76 HG12 VAL 76 57.086 3.054 4.589
217 HG13 VAL 76 HG13 VAL 76 58.845 3.137 4.490
218 HG21 VAL 76 HG21 VAL 76 55.932 2.312 3.113
219 HG22 VAL 76 HG22 VAL 76 56.128 0.560 3.032
220 HG23 VAL 76 HG23 VAL 76 56.542 1.560 1.639
221 H PHE 77 HN PHE 77 60.559 0.405 2.033
222 HA PHE 77 HA PHE 77 62.432 1.162 3.956
223 HB2 PHE 77 HB2 PHE 77 62.222 -0.846 1.884
224 HB3 PHE 77 HB1 PHE 77 63.860 -0.206 1.952
225 HD1 PHE 77 HD1 PHE 77 64.545 0.200 4.615
226 HD2 PHE 77 HD2 PHE 77 61.986 -2.808 3.031
227 HE1 PHE 77 HE1 PHE 77 65.026 -1.227 6.561
228 HE2 PHE 77 HE2 PHE 77 62.461 -4.241 4.974
229 HZ PHE 77 HZ PHE 77 63.982 -3.451 6.742
230 H CYS 78 HN CYS 78 62.011 2.134 0.625
231 HA CYS 78 HA CYS 78 64.550 3.349 0.321
232 HB2 CYS 78 HB2 CYS 78 62.179 3.040 -1.262
233 HB3 CYS 78 HB1 CYS 78 62.670 4.730 -1.297
234 HG CYS 78 HG CYS 78 64.423 2.383 -2.333
235 H HIS 79 HN HIS 79 61.378 4.584 1.245
236 HA HIS 79 HA HIS 79 62.191 7.262 1.642
237 HB2 HIS 79 HB2 HIS 79 59.951 5.644 2.874
238 HB3 HIS 79 HB1 HIS 79 60.174 7.365 3.164
239 HD1 HIS 79 HD1 HIS 79 59.867 8.940 0.992
240 HD2 HIS 79 HD2 HIS 79 58.634 4.994 0.610
241 HE1 HIS 79 HE1 HIS 79 58.355 8.862 -1.035
242 H SER 80 HN SER 80 62.786 4.354 3.324
243 HA SER 80 HA SER 80 63.219 5.499 5.919
244 HB2 SER 80 HB2 SER 80 62.691 3.012 5.211
245 HB3 SER 80 HB1 SER 80 64.448 2.900 5.111
246 HG SER 80 HG SER 80 63.018 3.828 7.380
247 H LEU 81 HN LEU 81 65.019 5.361 3.044
248 HA LEU 81 HA LEU 81 67.616 5.367 4.233
249 HB2 LEU 81 HB2 LEU 81 66.786 6.191 1.459
250 HB3 LEU 81 HB1 LEU 81 68.423 5.839 1.992
251 HG LEU 81 HG LEU 81 66.346 3.744 2.339
252 HD11 LEU 81 HD11 LEU 81 67.761 4.202 -0.285
253 HD12 LEU 81 HD12 LEU 81 66.082 4.647 0.019
254 HD13 LEU 81 HD13 LEU 81 66.572 2.954 0.092
255 HD21 LEU 81 HD21 LEU 81 68.777 3.636 3.118
256 HD22 LEU 81 HD22 LEU 81 69.189 3.462 1.412
257 HD23 LEU 81 HD23 LEU 81 68.158 2.265 2.196
Start of MODEL 18
1 H1 GLN 49 HT1 GLN 49 32.813 -3.053 8.767
2 H2 GLN 49 HT2 GLN 49 32.870 -3.206 7.059
3 H3 GLN 49 HT3 GLN 49 32.750 -1.653 7.780
4 HA GLN 49 HA GLN 49 34.887 -1.760 8.629
5 HB2 GLN 49 HB2 GLN 49 36.244 -3.786 8.469
6 HB3 GLN 49 HB1 GLN 49 34.754 -4.107 9.346
7 HG2 GLN 49 HG2 GLN 49 33.798 -5.025 7.235
8 HG3 GLN 49 HG1 GLN 49 35.392 -4.853 6.504
9 HE21 GLN 49 HE21 GLN 49 37.182 -5.855 7.904
10 HE22 GLN 49 HE22 GLN 49 36.852 -7.436 8.517
11 H MET 50 HN MET 50 36.076 -0.545 7.320
12 HA MET 50 HA MET 50 35.936 -0.994 4.437
13 HB2 MET 50 HB2 MET 50 36.291 1.319 6.170
14 HB3 MET 50 HB1 MET 50 37.475 1.280 4.871
15 HG2 MET 50 HG2 MET 50 35.674 1.106 3.232
16 HG3 MET 50 HG1 MET 50 34.488 1.143 4.534
17 HE1 MET 50 HE1 MET 50 33.273 3.876 3.434
18 HE2 MET 50 HE2 MET 50 34.013 2.675 2.374
19 HE3 MET 50 HE3 MET 50 34.506 4.365 2.270
20 H GLN 51 HN GLN 51 37.397 -2.384 3.682
21 HA GLN 51 HA GLN 51 40.134 -2.273 4.758
22 HB2 GLN 51 HB2 GLN 51 38.483 -4.493 3.619
23 HB3 GLN 51 HB1 GLN 51 40.235 -4.573 3.491
24 HG2 GLN 51 HG2 GLN 51 39.285 -3.902 6.166
25 HG3 GLN 51 HG1 GLN 51 38.749 -5.480 5.591
26 HE21 GLN 51 HE21 GLN 51 41.069 -3.998 7.301
27 HE22 GLN 51 HE22 GLN 51 42.384 -5.092 7.054
28 HA PRO 52 HA PRO 52 40.719 -0.128 0.746
29 HB2 PRO 52 HB2 PRO 52 43.458 -0.138 1.932
30 HB3 PRO 52 HB1 PRO 52 42.580 1.177 1.140
31 HG2 PRO 52 HG2 PRO 52 42.825 1.120 3.788
32 HG3 PRO 52 HG1 PRO 52 41.311 1.644 3.027
33 HD2 PRO 52 HD2 PRO 52 41.958 -0.928 4.391
34 HD3 PRO 52 HD1 PRO 52 40.429 -0.028 4.341
35 H LEU 53 HN LEU 53 42.548 -2.757 2.191
36 HA LEU 53 HA LEU 53 43.650 -4.543 1.312
37 HB2 LEU 53 HB2 LEU 53 41.444 -3.981 -0.557
38 HB3 LEU 53 HB1 LEU 53 42.741 -4.955 -1.223
39 HG LEU 53 HG LEU 53 42.200 -6.102 1.270
40 HD11 LEU 53 HD11 LEU 53 39.688 -5.230 -0.131
41 HD12 LEU 53 HD12 LEU 53 40.134 -5.014 1.562
42 HD13 LEU 53 HD13 LEU 53 39.739 -6.621 0.953
43 HD21 LEU 53 HD21 LEU 53 41.135 -7.890 -0.230
44 HD22 LEU 53 HD22 LEU 53 42.825 -7.471 -0.512
45 HD23 LEU 53 HD23 LEU 53 41.569 -6.829 -1.570
46 H CYS 54 HN CYS 54 45.106 -2.251 1.172
47 HA CYS 54 HA CYS 54 46.979 -2.842 -0.863
48 HB2 CYS 54 HB2 CYS 54 44.934 -0.811 -1.457
49 HB3 CYS 54 HB1 CYS 54 46.588 -0.267 -1.716
50 HG CYS 54 HG CYS 54 46.481 -1.430 -3.854
51 H PHE 55 HN PHE 55 48.560 -0.810 -1.069
52 HA PHE 55 HA PHE 55 48.811 0.605 1.466
53 HB2 PHE 55 HB2 PHE 55 50.780 -1.426 0.443
54 HB3 PHE 55 HB1 PHE 55 51.303 -0.100 1.474
55 HD1 PHE 55 HD1 PHE 55 50.089 0.172 3.725
56 HD2 PHE 55 HD2 PHE 55 49.952 -3.376 1.380
57 HE1 PHE 55 HE1 PHE 55 49.430 -1.115 5.717
58 HE2 PHE 55 HE2 PHE 55 49.293 -4.670 3.365
59 HZ PHE 55 HZ PHE 55 49.031 -3.538 5.538
60 H ASN 56 HN ASN 56 49.516 2.633 1.151
61 HA ASN 56 HA ASN 56 50.572 3.300 -1.509
62 HB2 ASN 56 HB2 ASN 56 49.338 5.162 0.530
63 HB3 ASN 56 HB1 ASN 56 49.763 5.554 -1.134
64 HD21 ASN 56 HD21 ASN 56 47.785 6.060 -1.892
65 HD22 ASN 56 HD22 ASN 56 46.466 4.950 -1.985
66 H CYS 57 HN CYS 57 52.524 4.199 -1.770
67 HA CYS 57 HA CYS 57 54.355 4.222 0.429
68 HB2 CYS 57 HB2 CYS 57 55.143 3.538 -1.754
69 HB3 CYS 57 HB1 CYS 57 54.665 5.080 -2.449
70 HA PRO 58 HA PRO 58 53.568 8.511 1.411
71 HB2 PRO 58 HB2 PRO 58 55.028 8.660 3.637
72 HB3 PRO 58 HB1 PRO 58 53.544 7.700 3.580
73 HG2 PRO 58 HG2 PRO 58 56.391 6.800 3.410
74 HG3 PRO 58 HG1 PRO 58 55.033 6.063 4.278
75 HD2 PRO 58 HD2 PRO 58 55.959 5.238 1.804
76 HD3 PRO 58 HD1 PRO 58 54.333 4.919 2.435
77 H ILE 59 HN ILE 59 55.943 7.618 -0.396
78 HA ILE 59 HA ILE 59 57.538 10.042 0.089
79 HB ILE 59 HB ILE 59 58.676 7.456 -0.971
80 HG12 ILE 59 HG12 ILE 59 59.949 7.779 1.359
81 HG13 ILE 59 HG11 ILE 59 58.425 8.548 1.788
82 HG21 ILE 59 HG21 ILE 59 60.038 9.110 -1.815
83 HG22 ILE 59 HG22 ILE 59 60.821 8.771 -0.271
84 HG23 ILE 59 HG23 ILE 59 59.772 10.180 -0.438
85 HD11 ILE 59 HD11 ILE 59 57.255 6.484 1.075
86 HD12 ILE 59 HD12 ILE 59 58.347 6.255 2.441
87 HD13 ILE 59 HD13 ILE 59 58.829 5.729 0.827
88 H CYS 60 HN CYS 60 56.815 7.560 -2.407
89 HA CYS 60 HA CYS 60 56.923 9.755 -4.378
90 HB2 CYS 60 HB2 CYS 60 57.657 8.236 -6.043
91 HB3 CYS 60 HB1 CYS 60 58.635 7.915 -4.616
92 H ASP 61 HN ASP 61 54.819 7.697 -2.800
93 HA ASP 61 HA ASP 61 52.526 7.658 -2.962
94 HB2 ASP 61 HB2 ASP 61 52.977 9.617 -4.745
95 HB3 ASP 61 HB1 ASP 61 52.399 8.364 -5.839
96 H LYS 62 HN LYS 62 54.724 5.754 -4.216
97 HA LYS 62 HA LYS 62 53.381 4.195 -6.135
98 HB2 LYS 62 HB2 LYS 62 55.805 3.954 -4.508
99 HB3 LYS 62 HB1 LYS 62 55.040 2.410 -4.849
100 HG2 LYS 62 HG2 LYS 62 55.259 4.159 -7.180
101 HG3 LYS 62 HG1 LYS 62 56.809 3.689 -6.481
102 HD2 LYS 62 HD2 LYS 62 55.283 1.350 -6.503
103 HD3 LYS 62 HD1 LYS 62 54.945 2.131 -8.048
104 HE2 LYS 62 HE2 LYS 62 57.015 1.750 -8.829
105 HE3 LYS 62 HE1 LYS 62 57.773 2.145 -7.288
106 HZ1 LYS 62 HZ1 LYS 62 57.136 -0.059 -6.478
107 HZ2 LYS 62 HZ2 LYS 62 58.140 -0.159 -7.835
108 HZ3 LYS 62 HZ3 LYS 62 56.479 -0.433 -7.993
109 H ILE 63 HN ILE 63 51.770 2.749 -5.943
110 HA ILE 63 HA ILE 63 51.043 1.888 -3.220
111 HB ILE 63 HB ILE 63 49.143 2.084 -5.549
112 HG12 ILE 63 HG12 ILE 63 48.452 4.086 -3.775
113 HG13 ILE 63 HG11 ILE 63 50.210 4.173 -3.794
114 HG21 ILE 63 HG21 ILE 63 48.580 0.552 -3.671
115 HG22 ILE 63 HG22 ILE 63 47.420 1.860 -3.903
116 HG23 ILE 63 HG23 ILE 63 48.596 1.946 -2.590
117 HD11 ILE 63 HD11 ILE 63 49.535 5.646 -5.458
118 HD12 ILE 63 HD12 ILE 63 48.290 4.549 -6.056
119 HD13 ILE 63 HD13 ILE 63 49.993 4.189 -6.340
120 H PHE 64 HN PHE 64 50.425 -0.218 -2.856
121 HA PHE 64 HA PHE 64 50.577 -2.120 -5.070
122 HB2 PHE 64 HB2 PHE 64 51.862 -3.051 -2.576
123 HB3 PHE 64 HB1 PHE 64 52.294 -3.366 -4.251
124 HD1 PHE 64 HD1 PHE 64 52.329 -0.603 -1.749
125 HD2 PHE 64 HD2 PHE 64 54.228 -2.449 -5.079
126 HE1 PHE 64 HE1 PHE 64 54.211 0.969 -1.544
127 HE2 PHE 64 HE2 PHE 64 56.113 -0.881 -4.881
128 HZ PHE 64 HZ PHE 64 56.107 0.828 -3.109
129 HA PRO 65 HA PRO 65 47.259 -4.283 -3.141
130 HB2 PRO 65 HB2 PRO 65 48.758 -6.807 -2.905
131 HB3 PRO 65 HB1 PRO 65 47.320 -6.442 -3.862
132 HG2 PRO 65 HG2 PRO 65 49.727 -6.821 -4.998
133 HG3 PRO 65 HG1 PRO 65 48.545 -5.674 -5.655
134 HD2 PRO 65 HD2 PRO 65 50.992 -5.149 -4.015
135 HD3 PRO 65 HD1 PRO 65 50.335 -4.231 -5.388
136 H ALA 66 HN ALA 66 46.486 -5.322 -1.192
137 HA ALA 66 HA ALA 66 47.882 -4.452 1.127
138 HB1 ALA 66 HB1 ALA 66 45.301 -5.742 0.541
139 HB2 ALA 66 HB2 ALA 66 45.685 -4.406 1.626
140 HB3 ALA 66 HB3 ALA 66 45.972 -6.068 2.139
141 H THR 67 HN THR 67 47.718 -7.451 -0.623
142 HA THR 67 HA THR 67 48.771 -9.069 1.506
143 HB THR 67 HB THR 67 49.177 -10.604 -0.649
144 HG1 THR 67 HG1 THR 67 48.591 -9.019 -2.142
145 HG21 THR 67 HG21 THR 67 46.941 -11.496 -0.429
146 HG22 THR 67 HG22 THR 67 46.432 -10.056 0.453
147 HG23 THR 67 HG23 THR 67 47.625 -11.148 1.157
148 H GLU 68 HN GLU 68 50.102 -6.886 -0.715
149 HA GLU 68 HA GLU 68 52.704 -8.191 -0.718
150 HB2 GLU 68 HB2 GLU 68 51.620 -5.801 -2.199
151 HB3 GLU 68 HB1 GLU 68 53.316 -6.260 -2.247
152 HG2 GLU 68 HG2 GLU 68 51.413 -8.411 -2.867
153 HG3 GLU 68 HG1 GLU 68 51.466 -7.082 -4.024
154 H LYS 69 HN LYS 69 51.619 -7.087 1.739
155 HA LYS 69 HA LYS 69 52.598 -4.581 2.416
156 HB2 LYS 69 HB2 LYS 69 52.612 -5.414 4.756
157 HB3 LYS 69 HB1 LYS 69 51.120 -5.781 3.901
158 HG2 LYS 69 HG2 LYS 69 51.445 -7.810 4.817
159 HG3 LYS 69 HG1 LYS 69 52.471 -8.035 3.399
160 HD2 LYS 69 HD2 LYS 69 53.760 -8.757 5.239
161 HD3 LYS 69 HD1 LYS 69 54.382 -7.159 4.820
162 HE2 LYS 69 HE2 LYS 69 54.199 -6.945 7.092
163 HE3 LYS 69 HE1 LYS 69 52.612 -6.364 6.591
164 HZ1 LYS 69 HZ1 LYS 69 52.963 -8.231 8.439
165 HZ2 LYS 69 HZ2 LYS 69 52.836 -9.221 7.074
166 HZ3 LYS 69 HZ3 LYS 69 51.584 -8.152 7.461
167 H GLN 70 HN GLN 70 54.271 -7.597 1.996
168 HA GLN 70 HA GLN 70 56.632 -6.999 3.411
169 HB2 GLN 70 HB2 GLN 70 55.666 -9.140 1.903
170 HB3 GLN 70 HB1 GLN 70 57.106 -8.611 1.045
171 HG2 GLN 70 HG2 GLN 70 57.005 -9.287 3.975
172 HG3 GLN 70 HG1 GLN 70 57.540 -10.383 2.702
173 HE21 GLN 70 HE21 GLN 70 58.890 -9.084 5.060
174 HE22 GLN 70 HE22 GLN 70 60.318 -8.374 4.398
175 H ILE 71 HN ILE 71 55.866 -6.704 -0.035
176 HA ILE 71 HA ILE 71 58.299 -5.463 -0.762
177 HB ILE 71 HB ILE 71 55.647 -5.215 -2.184
178 HG12 ILE 71 HG12 ILE 71 57.807 -7.312 -2.491
179 HG13 ILE 71 HG11 ILE 71 56.218 -7.574 -1.779
180 HG21 ILE 71 HG21 ILE 71 58.436 -4.490 -2.834
181 HG22 ILE 71 HG22 ILE 71 56.920 -3.748 -3.344
182 HG23 ILE 71 HG23 ILE 71 57.487 -5.223 -4.127
183 HD11 ILE 71 HD11 ILE 71 55.327 -6.761 -4.061
184 HD12 ILE 71 HD12 ILE 71 55.972 -8.397 -3.918
185 HD13 ILE 71 HD13 ILE 71 56.956 -7.120 -4.634
186 H PHE 72 HN PHE 72 55.261 -4.258 0.466
187 HA PHE 72 HA PHE 72 55.578 -1.541 -0.199
188 HB2 PHE 72 HB2 PHE 72 53.417 -2.350 0.469
189 HB3 PHE 72 HB1 PHE 72 54.042 -2.899 2.020
190 HD1 PHE 72 HD1 PHE 72 54.596 0.346 0.300
191 HD2 PHE 72 HD2 PHE 72 52.817 -1.697 3.580
192 HE1 PHE 72 HE1 PHE 72 53.982 2.505 1.307
193 HE2 PHE 72 HE2 PHE 72 52.199 0.457 4.593
194 HZ PHE 72 HZ PHE 72 52.782 2.563 3.456
195 H GLU 73 HN GLU 73 56.644 -3.446 2.565
196 HA GLU 73 HA GLU 73 57.634 -1.201 4.035
197 HB2 GLU 73 HB2 GLU 73 57.860 -4.181 4.312
198 HB3 GLU 73 HB1 GLU 73 58.881 -3.129 5.281
199 HG2 GLU 73 HG2 GLU 73 56.639 -1.971 5.900
200 HG3 GLU 73 HG1 GLU 73 55.922 -3.486 5.350
201 H ASP 74 HN ASP 74 58.943 -3.537 1.778
202 HA ASP 74 HA ASP 74 61.660 -2.821 2.153
203 HB2 ASP 74 HB2 ASP 74 60.130 -4.496 0.253
204 HB3 ASP 74 HB1 ASP 74 61.666 -3.868 -0.337
205 H HIS 75 HN HIS 75 59.163 -1.872 -0.147
206 HA HIS 75 HA HIS 75 60.717 -0.263 -1.812
207 HB2 HIS 75 HB2 HIS 75 58.473 -0.917 -2.443
208 HB3 HIS 75 HB1 HIS 75 57.798 -0.052 -1.066
209 HD1 HIS 75 HD1 HIS 75 58.416 0.358 -4.591
210 HD2 HIS 75 HD2 HIS 75 58.376 2.853 -1.263
211 HE1 HIS 75 HE1 HIS 75 58.183 2.722 -5.467
212 H VAL 76 HN VAL 76 58.688 0.682 0.946
213 HA VAL 76 HA VAL 76 59.428 3.386 1.001
214 HB VAL 76 HB VAL 76 58.660 1.666 3.367
215 HG11 VAL 76 HG11 VAL 76 59.175 3.551 4.474
216 HG12 VAL 76 HG12 VAL 76 57.645 4.146 3.832
217 HG13 VAL 76 HG13 VAL 76 59.156 4.533 3.011
218 HG21 VAL 76 HG21 VAL 76 56.486 1.777 2.776
219 HG22 VAL 76 HG22 VAL 76 57.149 1.977 1.153
220 HG23 VAL 76 HG23 VAL 76 56.648 3.391 2.082
221 H PHE 77 HN PHE 77 60.838 0.520 2.457
222 HA PHE 77 HA PHE 77 62.739 1.685 4.120
223 HB2 PHE 77 HB2 PHE 77 62.231 -0.760 4.003
224 HB3 PHE 77 HB1 PHE 77 63.106 -0.832 2.477
225 HD1 PHE 77 HD1 PHE 77 63.756 0.664 5.837
226 HD2 PHE 77 HD2 PHE 77 65.158 -1.816 2.676
227 HE1 PHE 77 HE1 PHE 77 65.856 0.294 7.064
228 HE2 PHE 77 HE2 PHE 77 67.261 -2.191 3.897
229 HZ PHE 77 HZ PHE 77 67.611 -1.136 6.096
230 H CYS 78 HN CYS 78 62.697 1.206 0.652
231 HA CYS 78 HA CYS 78 65.401 1.818 0.172
232 HB2 CYS 78 HB2 CYS 78 63.104 1.233 -1.402
233 HB3 CYS 78 HB1 CYS 78 63.805 2.725 -2.020
234 HG CYS 78 HG CYS 78 64.845 0.031 -2.606
235 H HIS 79 HN HIS 79 62.499 3.838 0.156
236 HA HIS 79 HA HIS 79 63.820 6.265 -0.416
237 HB2 HIS 79 HB2 HIS 79 61.261 5.711 1.100
238 HB3 HIS 79 HB1 HIS 79 61.821 7.330 0.702
239 HD1 HIS 79 HD1 HIS 79 61.975 7.842 -1.970
240 HD2 HIS 79 HD2 HIS 79 59.833 4.481 -0.808
241 HE1 HIS 79 HE1 HIS 79 60.519 7.212 -3.942
242 H SER 80 HN SER 80 63.754 4.233 2.320
243 HA SER 80 HA SER 80 64.333 6.233 4.293
244 HB2 SER 80 HB2 SER 80 63.598 3.523 4.322
245 HB3 SER 80 HB1 SER 80 65.196 3.588 5.065
246 HG SER 80 HG SER 80 63.684 3.942 6.658
247 H LEU 81 HN LEU 81 66.168 4.614 1.929
248 HA LEU 81 HA LEU 81 68.666 4.667 3.315
249 HB2 LEU 81 HB2 LEU 81 68.139 4.410 0.363
250 HB3 LEU 81 HB1 LEU 81 69.640 4.025 1.189
251 HG LEU 81 HG LEU 81 67.163 2.654 2.081
252 HD11 LEU 81 HD11 LEU 81 67.230 2.599 -0.451
253 HD12 LEU 81 HD12 LEU 81 67.225 1.031 0.357
254 HD13 LEU 81 HD13 LEU 81 68.728 1.680 -0.301
255 HD21 LEU 81 HD21 LEU 81 69.988 1.667 1.711
256 HD22 LEU 81 HD22 LEU 81 68.682 0.872 2.591
257 HD23 LEU 81 HD23 LEU 81 69.369 2.377 3.202
Start of MODEL 19
1 H1 GLN 49 HT1 GLN 49 39.122 -4.864 12.028
2 H2 GLN 49 HT2 GLN 49 40.682 -4.697 11.332
3 H3 GLN 49 HT3 GLN 49 40.387 -5.921 12.500
4 HA GLN 49 HA GLN 49 40.391 -7.026 10.515
5 HB2 GLN 49 HB2 GLN 49 37.812 -6.437 11.806
6 HB3 GLN 49 HB1 GLN 49 37.671 -7.114 10.190
7 HG2 GLN 49 HG2 GLN 49 38.347 -9.143 10.841
8 HG3 GLN 49 HG1 GLN 49 39.590 -8.496 11.912
9 HE21 GLN 49 HE21 GLN 49 37.061 -10.410 11.961
10 HE22 GLN 49 HE22 GLN 49 36.400 -10.070 13.520
11 H MET 50 HN MET 50 38.765 -3.935 10.294
12 HA MET 50 HA MET 50 38.388 -4.165 7.426
13 HB2 MET 50 HB2 MET 50 37.945 -1.743 9.173
14 HB3 MET 50 HB1 MET 50 37.305 -2.022 7.559
15 HG2 MET 50 HG2 MET 50 35.730 -3.533 8.296
16 HG3 MET 50 HG1 MET 50 36.625 -3.907 9.767
17 HE1 MET 50 HE1 MET 50 33.141 -1.189 9.418
18 HE2 MET 50 HE2 MET 50 33.375 -2.899 9.051
19 HE3 MET 50 HE3 MET 50 34.072 -1.667 7.998
20 H GLN 51 HN GLN 51 39.621 -3.240 5.880
21 HA GLN 51 HA GLN 51 41.495 -1.150 6.423
22 HB2 GLN 51 HB2 GLN 51 42.402 -3.737 6.946
23 HB3 GLN 51 HB1 GLN 51 43.062 -3.354 5.363
24 HG2 GLN 51 HG2 GLN 51 43.562 -1.067 6.786
25 HG3 GLN 51 HG1 GLN 51 43.780 -2.333 7.993
26 HE21 GLN 51 HE21 GLN 51 45.986 -2.042 8.127
27 HE22 GLN 51 HE22 GLN 51 47.068 -2.500 6.861
28 HA PRO 52 HA PRO 52 40.913 -0.241 2.159
29 HB2 PRO 52 HB2 PRO 52 43.866 0.134 2.015
30 HB3 PRO 52 HB1 PRO 52 42.567 1.234 1.539
31 HG2 PRO 52 HG2 PRO 52 43.938 1.652 3.779
32 HG3 PRO 52 HG1 PRO 52 42.189 1.942 3.716
33 HD2 PRO 52 HD2 PRO 52 43.695 -0.330 4.938
34 HD3 PRO 52 HD1 PRO 52 42.216 0.478 5.500
35 H LEU 53 HN LEU 53 41.848 -0.792 -0.062
36 HA LEU 53 HA LEU 53 42.560 -3.632 -0.060
37 HB2 LEU 53 HB2 LEU 53 40.536 -2.404 -1.335
38 HB3 LEU 53 HB1 LEU 53 41.771 -2.291 -2.574
39 HG LEU 53 HG LEU 53 42.072 -4.820 -2.257
40 HD11 LEU 53 HD11 LEU 53 40.960 -5.433 -0.354
41 HD12 LEU 53 HD12 LEU 53 39.722 -5.769 -1.564
42 HD13 LEU 53 HD13 LEU 53 39.648 -4.283 -0.617
43 HD21 LEU 53 HD21 LEU 53 39.741 -5.115 -3.528
44 HD22 LEU 53 HD22 LEU 53 41.156 -4.378 -4.283
45 HD23 LEU 53 HD23 LEU 53 39.884 -3.358 -3.610
46 H CYS 54 HN CYS 54 44.280 -0.973 -0.010
47 HA CYS 54 HA CYS 54 46.556 -2.065 -1.221
48 HB2 CYS 54 HB2 CYS 54 46.828 -0.614 -3.170
49 HB3 CYS 54 HB1 CYS 54 45.371 -1.590 -3.324
50 HG CYS 54 HG CYS 54 44.165 0.745 -2.414
51 H PHE 55 HN PHE 55 48.108 0.023 -1.819
52 HA PHE 55 HA PHE 55 47.763 2.128 0.151
53 HB2 PHE 55 HB2 PHE 55 50.290 0.481 0.211
54 HB3 PHE 55 HB1 PHE 55 49.771 1.713 1.357
55 HD1 PHE 55 HD1 PHE 55 47.892 1.234 2.907
56 HD2 PHE 55 HD2 PHE 55 49.604 -1.768 0.425
57 HE1 PHE 55 HE1 PHE 55 46.875 -0.506 4.318
58 HE2 PHE 55 HE2 PHE 55 48.590 -3.514 1.831
59 HZ PHE 55 HZ PHE 55 47.224 -2.884 3.780
60 H ASN 56 HN ASN 56 49.823 3.604 0.055
61 HA ASN 56 HA ASN 56 50.941 3.678 -2.650
62 HB2 ASN 56 HB2 ASN 56 48.858 5.414 -1.717
63 HB3 ASN 56 HB1 ASN 56 50.319 6.364 -1.971
64 HD21 ASN 56 HD21 ASN 56 47.596 5.248 -3.407
65 HD22 ASN 56 HD22 ASN 56 48.085 5.325 -5.061
66 H CYS 57 HN CYS 57 53.023 4.320 -2.698
67 HA CYS 57 HA CYS 57 54.399 4.760 -0.226
68 HB2 CYS 57 HB2 CYS 57 55.514 3.490 -1.936
69 HB3 CYS 57 HB1 CYS 57 55.320 4.788 -3.102
70 HA PRO 58 HA PRO 58 53.666 9.195 -0.421
71 HB2 PRO 58 HB2 PRO 58 54.830 9.803 1.948
72 HB3 PRO 58 HB1 PRO 58 53.213 9.099 1.824
73 HG2 PRO 58 HG2 PRO 58 55.824 7.756 2.415
74 HG3 PRO 58 HG1 PRO 58 54.247 7.527 3.195
75 HD2 PRO 58 HD2 PRO 58 55.205 5.823 1.323
76 HD3 PRO 58 HD1 PRO 58 53.472 6.159 1.508
77 H ILE 59 HN ILE 59 56.623 7.541 -0.595
78 HA ILE 59 HA ILE 59 58.244 9.949 -0.571
79 HB ILE 59 HB ILE 59 59.140 7.158 -1.276
80 HG12 ILE 59 HG12 ILE 59 60.077 7.680 1.256
81 HG13 ILE 59 HG11 ILE 59 58.467 8.390 1.306
82 HG21 ILE 59 HG21 ILE 59 60.842 8.527 -1.980
83 HG22 ILE 59 HG22 ILE 59 61.313 8.269 -0.300
84 HG23 ILE 59 HG23 ILE 59 60.498 9.761 -0.768
85 HD11 ILE 59 HD11 ILE 59 58.941 5.597 0.336
86 HD12 ILE 59 HD12 ILE 59 57.433 6.339 0.870
87 HD13 ILE 59 HD13 ILE 59 58.702 5.979 2.040
88 H CYS 60 HN CYS 60 57.516 7.363 -2.970
89 HA CYS 60 HA CYS 60 58.212 9.347 -5.039
90 HB2 CYS 60 HB2 CYS 60 58.916 7.592 -6.487
91 HB3 CYS 60 HB1 CYS 60 59.671 7.312 -4.922
92 H ASP 61 HN ASP 61 55.649 7.591 -3.713
93 HA ASP 61 HA ASP 61 53.411 7.850 -4.192
94 HB2 ASP 61 HB2 ASP 61 54.326 9.721 -5.854
95 HB3 ASP 61 HB1 ASP 61 53.820 8.535 -7.055
96 H LYS 62 HN LYS 62 55.222 5.509 -4.756
97 HA LYS 62 HA LYS 62 53.949 4.165 -6.971
98 HB2 LYS 62 HB2 LYS 62 56.376 3.846 -5.937
99 HB3 LYS 62 HB1 LYS 62 55.543 2.652 -4.957
100 HG2 LYS 62 HG2 LYS 62 54.934 2.467 -7.806
101 HG3 LYS 62 HG1 LYS 62 56.636 2.209 -7.418
102 HD2 LYS 62 HD2 LYS 62 56.128 0.409 -5.968
103 HD3 LYS 62 HD1 LYS 62 54.409 0.804 -5.963
104 HE2 LYS 62 HE2 LYS 62 54.221 0.171 -8.290
105 HE3 LYS 62 HE1 LYS 62 55.958 -0.118 -8.379
106 HZ1 LYS 62 HZ1 LYS 62 55.788 -2.064 -7.247
107 HZ2 LYS 62 HZ2 LYS 62 54.261 -2.062 -7.974
108 HZ3 LYS 62 HZ3 LYS 62 54.430 -1.583 -6.360
109 H ILE 63 HN ILE 63 52.185 2.920 -6.896
110 HA ILE 63 HA ILE 63 50.766 2.643 -4.398
111 HB ILE 63 HB ILE 63 49.951 1.448 -7.036
112 HG12 ILE 63 HG12 ILE 63 49.451 4.259 -6.033
113 HG13 ILE 63 HG11 ILE 63 50.465 3.817 -7.403
114 HG21 ILE 63 HG21 ILE 63 48.446 2.309 -4.576
115 HG22 ILE 63 HG22 ILE 63 48.632 0.672 -5.209
116 HG23 ILE 63 HG23 ILE 63 47.671 1.856 -6.095
117 HD11 ILE 63 HD11 ILE 63 48.637 3.229 -8.716
118 HD12 ILE 63 HD12 ILE 63 48.110 4.685 -7.870
119 HD13 ILE 63 HD13 ILE 63 47.561 3.100 -7.325
120 H PHE 64 HN PHE 64 49.877 0.585 -3.662
121 HA PHE 64 HA PHE 64 51.204 -1.839 -4.539
122 HB2 PHE 64 HB2 PHE 64 51.737 -0.540 -1.891
123 HB3 PHE 64 HB1 PHE 64 51.780 -2.293 -2.031
124 HD1 PHE 64 HD1 PHE 64 53.483 -3.390 -3.381
125 HD2 PHE 64 HD2 PHE 64 53.430 0.835 -2.881
126 HE1 PHE 64 HE1 PHE 64 55.798 -3.268 -4.206
127 HE2 PHE 64 HE2 PHE 64 55.744 0.967 -3.707
128 HZ PHE 64 HZ PHE 64 56.931 -1.088 -4.369
129 HA PRO 65 HA PRO 65 46.977 -3.114 -3.679
130 HB2 PRO 65 HB2 PRO 65 48.263 -5.792 -3.866
131 HB3 PRO 65 HB1 PRO 65 46.821 -5.177 -4.680
132 HG2 PRO 65 HG2 PRO 65 49.119 -5.449 -5.998
133 HG3 PRO 65 HG1 PRO 65 48.046 -4.071 -6.304
134 HD2 PRO 65 HD2 PRO 65 50.604 -4.180 -4.772
135 HD3 PRO 65 HD1 PRO 65 49.953 -2.882 -5.792
136 H ALA 66 HN ALA 66 45.872 -4.351 -2.039
137 HA ALA 66 HA ALA 66 47.000 -4.078 0.524
138 HB1 ALA 66 HB1 ALA 66 44.964 -5.744 1.020
139 HB2 ALA 66 HB2 ALA 66 44.498 -5.188 -0.589
140 HB3 ALA 66 HB3 ALA 66 44.746 -4.021 0.709
141 H THR 67 HN THR 67 47.033 -6.687 -1.767
142 HA THR 67 HA THR 67 47.778 -8.709 0.135
143 HB THR 67 HB THR 67 48.484 -9.778 -2.247
144 HG1 THR 67 HG1 THR 67 46.323 -8.094 -2.925
145 HG21 THR 67 HG21 THR 67 46.100 -10.556 -2.471
146 HG22 THR 67 HG22 THR 67 45.738 -9.561 -1.061
147 HG23 THR 67 HG23 THR 67 46.888 -10.891 -0.930
148 H GLU 68 HN GLU 68 49.395 -6.305 -1.721
149 HA GLU 68 HA GLU 68 51.980 -7.599 -1.354
150 HB2 GLU 68 HB2 GLU 68 50.965 -5.401 -3.093
151 HB3 GLU 68 HB1 GLU 68 52.670 -5.400 -2.663
152 HG2 GLU 68 HG2 GLU 68 52.642 -7.846 -3.472
153 HG3 GLU 68 HG1 GLU 68 51.131 -7.400 -4.262
154 H LYS 69 HN LYS 69 50.427 -6.444 0.873
155 HA LYS 69 HA LYS 69 51.379 -3.965 1.704
156 HB2 LYS 69 HB2 LYS 69 49.550 -5.401 2.758
157 HB3 LYS 69 HB1 LYS 69 50.843 -6.267 3.578
158 HG2 LYS 69 HG2 LYS 69 51.502 -3.737 4.209
159 HG3 LYS 69 HG1 LYS 69 49.749 -3.581 4.073
160 HD2 LYS 69 HD2 LYS 69 50.496 -5.971 5.530
161 HD3 LYS 69 HD1 LYS 69 51.179 -4.521 6.269
162 HE2 LYS 69 HE2 LYS 69 49.121 -4.650 7.301
163 HE3 LYS 69 HE1 LYS 69 48.781 -3.561 5.957
164 HZ1 LYS 69 HZ1 LYS 69 47.181 -5.491 6.406
165 HZ2 LYS 69 HZ2 LYS 69 48.358 -6.467 5.682
166 HZ3 LYS 69 HZ3 LYS 69 47.653 -5.203 4.806
167 H GLN 70 HN GLN 70 52.858 -7.128 1.820
168 HA GLN 70 HA GLN 70 54.955 -6.508 3.616
169 HB2 GLN 70 HB2 GLN 70 54.248 -8.818 2.968
170 HB3 GLN 70 HB1 GLN 70 54.980 -8.554 1.392
171 HG2 GLN 70 HG2 GLN 70 56.408 -9.842 2.928
172 HG3 GLN 70 HG1 GLN 70 57.158 -8.346 2.373
173 HE21 GLN 70 HE21 GLN 70 57.605 -6.741 3.821
174 HE22 GLN 70 HE22 GLN 70 57.445 -6.931 5.531
175 H ILE 71 HN ILE 71 54.688 -6.400 0.101
176 HA ILE 71 HA ILE 71 57.376 -5.571 -0.346
177 HB ILE 71 HB ILE 71 55.038 -5.141 -2.203
178 HG12 ILE 71 HG12 ILE 71 56.808 -7.579 -1.899
179 HG13 ILE 71 HG11 ILE 71 55.096 -7.489 -1.497
180 HG21 ILE 71 HG21 ILE 71 57.940 -5.602 -2.853
181 HG22 ILE 71 HG22 ILE 71 57.223 -4.000 -2.676
182 HG23 ILE 71 HG23 ILE 71 56.655 -5.086 -3.945
183 HD11 ILE 71 HD11 ILE 71 56.336 -8.092 -3.993
184 HD12 ILE 71 HD12 ILE 71 55.330 -6.654 -4.167
185 HD13 ILE 71 HD13 ILE 71 54.629 -8.150 -3.550
186 H PHE 72 HN PHE 72 54.355 -3.929 0.271
187 HA PHE 72 HA PHE 72 55.169 -1.339 -0.540
188 HB2 PHE 72 HB2 PHE 72 52.813 -1.868 -0.301
189 HB3 PHE 72 HB1 PHE 72 53.031 -2.226 1.408
190 HD1 PHE 72 HD1 PHE 72 54.064 0.616 -0.780
191 HD2 PHE 72 HD2 PHE 72 51.980 -0.657 2.704
192 HE1 PHE 72 HE1 PHE 72 53.559 2.959 -0.233
193 HE2 PHE 72 HE2 PHE 72 51.470 1.686 3.258
194 HZ PHE 72 HZ PHE 72 52.260 3.497 1.789
195 H GLU 73 HN GLU 73 55.431 -3.139 2.461
196 HA GLU 73 HA GLU 73 56.327 -0.912 4.017
197 HB2 GLU 73 HB2 GLU 73 56.327 -3.894 4.464
198 HB3 GLU 73 HB1 GLU 73 57.053 -2.781 5.615
199 HG2 GLU 73 HG2 GLU 73 54.574 -1.687 5.210
200 HG3 GLU 73 HG1 GLU 73 54.253 -3.419 5.130
201 H ASP 74 HN ASP 74 57.815 -3.541 2.229
202 HA ASP 74 HA ASP 74 60.470 -2.973 3.052
203 HB2 ASP 74 HB2 ASP 74 59.315 -4.568 0.772
204 HB3 ASP 74 HB1 ASP 74 61.052 -4.367 0.977
205 H HIS 75 HN HIS 75 58.490 -2.074 0.286
206 HA HIS 75 HA HIS 75 60.412 -0.783 -1.258
207 HB2 HIS 75 HB2 HIS 75 58.217 -1.253 -2.152
208 HB3 HIS 75 HB1 HIS 75 57.462 -0.212 -0.950
209 HD1 HIS 75 HD1 HIS 75 58.654 -0.168 -4.367
210 HD2 HIS 75 HD2 HIS 75 58.308 2.601 -1.281
211 HE1 HIS 75 HE1 HIS 75 58.757 2.121 -5.442
212 H VAL 76 HN VAL 76 58.161 0.629 1.099
213 HA VAL 76 HA VAL 76 59.209 3.235 1.044
214 HB VAL 76 HB VAL 76 57.898 1.827 3.381
215 HG11 VAL 76 HG11 VAL 76 57.908 3.760 4.501
216 HG12 VAL 76 HG12 VAL 76 57.452 4.690 3.075
217 HG13 VAL 76 HG13 VAL 76 59.144 4.280 3.356
218 HG21 VAL 76 HG21 VAL 76 56.349 3.690 1.703
219 HG22 VAL 76 HG22 VAL 76 55.865 2.177 2.469
220 HG23 VAL 76 HG23 VAL 76 56.770 2.149 0.956
221 H PHE 77 HN PHE 77 60.034 0.376 2.897
222 HA PHE 77 HA PHE 77 61.819 1.464 4.735
223 HB2 PHE 77 HB2 PHE 77 61.085 -1.146 3.835
224 HB3 PHE 77 HB1 PHE 77 62.843 -1.057 3.876
225 HD1 PHE 77 HD1 PHE 77 59.775 -0.867 5.870
226 HD2 PHE 77 HD2 PHE 77 64.029 -0.847 5.946
227 HE1 PHE 77 HE1 PHE 77 59.727 -1.209 8.305
228 HE2 PHE 77 HE2 PHE 77 63.991 -1.190 8.382
229 HZ PHE 77 HZ PHE 77 61.837 -1.372 9.564
230 H CYS 78 HN CYS 78 62.174 0.741 1.335
231 HA CYS 78 HA CYS 78 64.994 0.949 1.252
232 HB2 CYS 78 HB2 CYS 78 63.109 0.175 -0.554
233 HB3 CYS 78 HB1 CYS 78 63.517 1.774 -1.167
234 HG CYS 78 HG CYS 78 65.446 0.718 -2.219
235 H HIS 79 HN HIS 79 62.390 3.249 0.647
236 HA HIS 79 HA HIS 79 64.053 5.453 0.058
237 HB2 HIS 79 HB2 HIS 79 61.259 5.306 1.204
238 HB3 HIS 79 HB1 HIS 79 62.049 6.819 0.779
239 HD1 HIS 79 HD1 HIS 79 62.547 7.164 -1.838
240 HD2 HIS 79 HD2 HIS 79 60.101 3.961 -0.840
241 HE1 HIS 79 HE1 HIS 79 61.360 6.486 -3.969
242 H SER 80 HN SER 80 63.380 3.732 2.930
243 HA SER 80 HA SER 80 63.905 5.870 4.771
244 HB2 SER 80 HB2 SER 80 64.107 2.938 5.425
245 HB3 SER 80 HB1 SER 80 63.653 4.271 6.487
246 HG SER 80 HG SER 80 61.668 4.187 5.760
247 H LEU 81 HN LEU 81 65.839 3.814 2.871
248 HA LEU 81 HA LEU 81 68.119 3.761 4.584
249 HB2 LEU 81 HB2 LEU 81 67.963 3.256 1.621
250 HB3 LEU 81 HB1 LEU 81 69.283 2.800 2.689
251 HG LEU 81 HG LEU 81 66.556 1.806 3.317
252 HD11 LEU 81 HD11 LEU 81 66.727 -0.036 1.798
253 HD12 LEU 81 HD12 LEU 81 68.329 0.478 1.267
254 HD13 LEU 81 HD13 LEU 81 66.911 1.447 0.862
255 HD21 LEU 81 HD21 LEU 81 69.386 0.929 3.734
256 HD22 LEU 81 HD22 LEU 81 68.068 -0.239 3.840
257 HD23 LEU 81 HD23 LEU 81 68.096 1.158 4.916
Start of MODEL 20
1 H1 GLN 49 HT1 GLN 49 39.263 5.851 3.594
2 H2 GLN 49 HT2 GLN 49 37.632 6.378 3.517
3 H3 GLN 49 HT3 GLN 49 38.355 5.613 2.160
4 HA GLN 49 HA GLN 49 37.781 4.399 4.779
5 HB2 GLN 49 HB2 GLN 49 36.527 4.221 2.043
6 HB3 GLN 49 HB1 GLN 49 36.258 3.001 3.279
7 HG2 GLN 49 HG2 GLN 49 35.808 5.747 4.181
8 HG3 GLN 49 HG1 GLN 49 34.725 5.210 2.897
9 HE21 GLN 49 HE21 GLN 49 34.282 5.786 5.776
10 HE22 GLN 49 HE22 GLN 49 33.535 4.362 6.411
11 H MET 50 HN MET 50 40.004 4.518 2.328
12 HA MET 50 HA MET 50 41.503 3.071 1.403
13 HB2 MET 50 HB2 MET 50 42.689 1.716 2.988
14 HB3 MET 50 HB1 MET 50 42.213 3.206 3.789
15 HG2 MET 50 HG2 MET 50 40.490 2.115 4.990
16 HG3 MET 50 HG1 MET 50 40.649 0.653 4.020
17 HE1 MET 50 HE1 MET 50 42.772 1.784 7.791
18 HE2 MET 50 HE2 MET 50 41.469 2.609 6.935
19 HE3 MET 50 HE3 MET 50 43.149 2.908 6.486
20 H GLN 51 HN GLN 51 42.059 0.422 1.622
21 HA GLN 51 HA GLN 51 39.697 -1.189 1.416
22 HB2 GLN 51 HB2 GLN 51 41.015 -0.111 -1.019
23 HB3 GLN 51 HB1 GLN 51 40.520 -1.797 -1.057
24 HG2 GLN 51 HG2 GLN 51 38.462 -1.168 -1.542
25 HG3 GLN 51 HG1 GLN 51 38.361 -0.334 0.007
26 HE21 GLN 51 HE21 GLN 51 38.490 -0.008 -3.362
27 HE22 GLN 51 HE22 GLN 51 38.563 1.718 -3.436
28 HA PRO 52 HA PRO 52 42.910 -3.958 2.874
29 HB2 PRO 52 HB2 PRO 52 40.830 -5.979 2.202
30 HB3 PRO 52 HB1 PRO 52 41.736 -5.751 3.702
31 HG2 PRO 52 HG2 PRO 52 39.183 -5.018 3.537
32 HG3 PRO 52 HG1 PRO 52 40.357 -4.032 4.430
33 HD2 PRO 52 HD2 PRO 52 39.168 -3.581 1.726
34 HD3 PRO 52 HD1 PRO 52 39.568 -2.405 2.994
35 H LEU 53 HN LEU 53 43.534 -6.343 2.040
36 HA LEU 53 HA LEU 53 44.557 -7.556 0.413
37 HB2 LEU 53 HB2 LEU 53 42.021 -7.045 -0.518
38 HB3 LEU 53 HB1 LEU 53 43.026 -6.485 -1.841
39 HG LEU 53 HG LEU 53 44.070 -8.992 -1.102
40 HD11 LEU 53 HD11 LEU 53 41.777 -9.179 0.053
41 HD12 LEU 53 HD12 LEU 53 42.298 -10.491 -1.005
42 HD13 LEU 53 HD13 LEU 53 41.131 -9.301 -1.584
43 HD21 LEU 53 HD21 LEU 53 42.574 -7.842 -3.406
44 HD22 LEU 53 HD22 LEU 53 42.846 -9.584 -3.350
45 HD23 LEU 53 HD23 LEU 53 44.218 -8.476 -3.329
46 H CYS 54 HN CYS 54 45.198 -4.599 0.913
47 HA CYS 54 HA CYS 54 47.185 -4.408 -1.188
48 HB2 CYS 54 HB2 CYS 54 45.119 -2.234 -0.778
49 HB3 CYS 54 HB1 CYS 54 46.571 -2.067 -1.758
50 HG CYS 54 HG CYS 54 45.399 -4.180 -3.150
51 H PHE 55 HN PHE 55 48.766 -2.686 -0.758
52 HA PHE 55 HA PHE 55 48.874 -1.970 2.098
53 HB2 PHE 55 HB2 PHE 55 51.125 -2.851 0.281
54 HB3 PHE 55 HB1 PHE 55 51.372 -2.154 1.879
55 HD1 PHE 55 HD2 PHE 55 49.718 -3.364 3.704
56 HD2 PHE 55 HD1 PHE 55 51.353 -5.120 0.188
57 HE1 PHE 55 HE2 PHE 55 49.482 -5.595 4.713
58 HE2 PHE 55 HE1 PHE 55 51.119 -7.354 1.191
59 HZ PHE 55 HZ PHE 55 50.184 -7.594 3.456
60 H ASN 56 HN ASN 56 49.109 0.133 2.528
61 HA ASN 56 HA ASN 56 49.872 1.910 0.308
62 HB2 ASN 56 HB2 ASN 56 48.593 3.667 1.658
63 HB3 ASN 56 HB1 ASN 56 47.638 2.427 0.851
64 HD21 ASN 56 HD21 ASN 56 46.095 3.295 2.498
65 HD22 ASN 56 HD22 ASN 56 46.066 2.510 4.037
66 H CYS 57 HN CYS 57 51.520 3.295 0.560
67 HA CYS 57 HA CYS 57 53.256 2.977 2.806
68 HB2 CYS 57 HB2 CYS 57 54.221 3.345 0.620
69 HB3 CYS 57 HB1 CYS 57 53.348 4.862 0.444
70 HA PRO 58 HA PRO 58 51.189 6.238 5.113
71 HB2 PRO 58 HB2 PRO 58 52.495 5.879 7.436
72 HB3 PRO 58 HB1 PRO 58 51.242 4.759 6.885
73 HG2 PRO 58 HG2 PRO 58 54.220 4.497 6.724
74 HG3 PRO 58 HG1 PRO 58 53.013 3.280 7.177
75 HD2 PRO 58 HD2 PRO 58 54.141 3.432 4.694
76 HD3 PRO 58 HD1 PRO 58 52.518 2.781 4.994
77 H ILE 59 HN ILE 59 54.495 5.978 4.232
78 HA ILE 59 HA ILE 59 55.405 8.342 5.562
79 HB ILE 59 HB ILE 59 56.673 6.930 3.215
80 HG12 ILE 59 HG12 ILE 59 57.986 6.425 5.710
81 HG13 ILE 59 HG11 ILE 59 56.280 6.028 5.887
82 HG21 ILE 59 HG21 ILE 59 57.571 9.067 5.102
83 HG22 ILE 59 HG22 ILE 59 57.752 8.969 3.350
84 HG23 ILE 59 HG23 ILE 59 58.749 7.960 4.397
85 HD11 ILE 59 HD11 ILE 59 56.485 4.190 4.660
86 HD12 ILE 59 HD12 ILE 59 58.225 4.399 4.854
87 HD13 ILE 59 HD13 ILE 59 57.417 5.017 3.414
88 H CYS 60 HN CYS 60 54.703 7.610 2.108
89 HA CYS 60 HA CYS 60 54.397 10.514 1.746
90 HB2 CYS 60 HB2 CYS 60 55.051 10.298 -0.547
91 HB3 CYS 60 HB1 CYS 60 56.256 9.499 0.452
92 H ASP 61 HN ASP 61 53.079 7.420 0.595
93 HA ASP 61 HA ASP 61 50.480 7.633 1.006
94 HB2 ASP 61 HB2 ASP 61 49.503 8.713 -1.087
95 HB3 ASP 61 HB1 ASP 61 50.171 9.812 0.115
96 H LYS 62 HN LYS 62 52.715 7.224 -1.667
97 HA LYS 62 HA LYS 62 51.608 5.727 -3.528
98 HB2 LYS 62 HB2 LYS 62 54.217 5.801 -2.351
99 HB3 LYS 62 HB1 LYS 62 53.834 4.141 -2.788
100 HG2 LYS 62 HG2 LYS 62 53.561 6.459 -4.683
101 HG3 LYS 62 HG1 LYS 62 55.014 5.467 -4.548
102 HD2 LYS 62 HD2 LYS 62 53.360 3.484 -4.902
103 HD3 LYS 62 HD1 LYS 62 52.300 4.730 -5.566
104 HE2 LYS 62 HE2 LYS 62 53.903 5.307 -7.237
105 HE3 LYS 62 HE1 LYS 62 55.134 4.295 -6.486
106 HZ1 LYS 62 HZ1 LYS 62 54.212 3.184 -8.390
107 HZ2 LYS 62 HZ2 LYS 62 52.640 3.352 -7.791
108 HZ3 LYS 62 HZ3 LYS 62 53.746 2.352 -6.992
109 H ILE 63 HN ILE 63 50.449 3.932 -3.800
110 HA ILE 63 HA ILE 63 50.327 2.001 -1.575
111 HB ILE 63 HB ILE 63 48.022 2.586 -3.423
112 HG12 ILE 63 HG12 ILE 63 48.329 3.664 -0.620
113 HG13 ILE 63 HG11 ILE 63 48.753 4.599 -2.049
114 HG21 ILE 63 HG21 ILE 63 48.305 1.111 -0.817
115 HG22 ILE 63 HG22 ILE 63 47.817 0.466 -2.385
116 HG23 ILE 63 HG23 ILE 63 46.747 1.562 -1.511
117 HD11 ILE 63 HD11 ILE 63 46.319 4.584 -0.839
118 HD12 ILE 63 HD12 ILE 63 46.081 3.436 -2.155
119 HD13 ILE 63 HD13 ILE 63 46.624 5.076 -2.503
120 H PHE 64 HN PHE 64 49.691 -0.190 -2.197
121 HA PHE 64 HA PHE 64 50.009 -0.920 -4.989
122 HB2 PHE 64 HB2 PHE 64 51.738 -2.497 -3.163
123 HB3 PHE 64 HB1 PHE 64 51.986 -2.059 -4.848
124 HD1 PHE 64 HD2 PHE 64 51.976 -0.573 -1.436
125 HD2 PHE 64 HD1 PHE 64 53.541 -0.445 -5.392
126 HE1 PHE 64 HE2 PHE 64 53.570 1.168 -0.745
127 HE2 PHE 64 HE1 PHE 64 55.141 1.294 -4.705
128 HZ PHE 64 HZ PHE 64 55.155 2.101 -2.379
129 HA PRO 65 HA PRO 65 47.259 -4.186 -3.887
130 HB2 PRO 65 HB2 PRO 65 48.122 -6.318 -5.317
131 HB3 PRO 65 HB1 PRO 65 47.354 -4.914 -6.069
132 HG2 PRO 65 HG2 PRO 65 50.262 -5.589 -5.844
133 HG3 PRO 65 HG1 PRO 65 49.366 -4.956 -7.237
134 HD2 PRO 65 HD2 PRO 65 50.881 -3.384 -5.631
135 HD3 PRO 65 HD1 PRO 65 49.424 -2.792 -6.452
136 H ALA 66 HN ALA 66 47.026 -6.298 -2.850
137 HA ALA 66 HA ALA 66 48.683 -6.603 -0.626
138 HB1 ALA 66 HB1 ALA 66 46.726 -7.595 -0.140
139 HB2 ALA 66 HB2 ALA 66 47.506 -9.038 -0.786
140 HB3 ALA 66 HB3 ALA 66 46.437 -8.080 -1.810
141 H THR 67 HN THR 67 48.834 -8.054 -3.803
142 HA THR 67 HA THR 67 50.763 -10.052 -3.071
143 HB THR 67 HB THR 67 50.965 -9.962 -5.754
144 HG1 THR 67 HG1 THR 67 49.421 -8.875 -6.647
145 HG21 THR 67 HG21 THR 67 48.401 -11.127 -4.987
146 HG22 THR 67 HG22 THR 67 49.762 -11.648 -3.994
147 HG23 THR 67 HG23 THR 67 49.811 -11.867 -5.743
148 H GLU 68 HN GLU 68 50.978 -6.763 -3.430
149 HA GLU 68 HA GLU 68 53.665 -6.825 -4.559
150 HB2 GLU 68 HB2 GLU 68 51.518 -4.843 -4.415
151 HB3 GLU 68 HB1 GLU 68 53.099 -4.178 -4.026
152 HG2 GLU 68 HG2 GLU 68 53.696 -5.596 -6.242
153 HG3 GLU 68 HG1 GLU 68 52.027 -5.142 -6.583
154 H LYS 69 HN LYS 69 53.080 -7.858 -1.892
155 HA LYS 69 HA LYS 69 53.773 -6.085 0.151
156 HB2 LYS 69 HB2 LYS 69 52.849 -8.382 0.469
157 HB3 LYS 69 HB1 LYS 69 54.420 -9.034 0.026
158 HG2 LYS 69 HG2 LYS 69 54.347 -7.049 2.222
159 HG3 LYS 69 HG1 LYS 69 53.690 -8.654 2.548
160 HD2 LYS 69 HD2 LYS 69 55.720 -9.670 2.376
161 HD3 LYS 69 HD1 LYS 69 56.316 -8.517 1.179
162 HE2 LYS 69 HE2 LYS 69 57.580 -7.932 3.002
163 HE3 LYS 69 HE1 LYS 69 56.206 -6.843 3.191
164 HZ1 LYS 69 HZ1 LYS 69 57.110 -8.402 5.136
165 HZ2 LYS 69 HZ2 LYS 69 55.958 -9.442 4.465
166 HZ3 LYS 69 HZ3 LYS 69 55.494 -7.914 5.021
167 H GLN 70 HN GLN 70 55.736 -7.758 -2.191
168 HA GLN 70 HA GLN 70 58.230 -7.458 -0.884
169 HB2 GLN 70 HB2 GLN 70 57.353 -8.734 -3.156
170 HB3 GLN 70 HB1 GLN 70 58.319 -7.420 -3.813
171 HG2 GLN 70 HG2 GLN 70 59.762 -9.265 -3.591
172 HG3 GLN 70 HG1 GLN 70 60.168 -8.159 -2.280
173 HE21 GLN 70 HE21 GLN 70 60.399 -9.038 -0.360
174 HE22 GLN 70 HE22 GLN 70 59.709 -10.530 0.169
175 H ILE 71 HN ILE 71 56.651 -5.582 -3.436
176 HA ILE 71 HA ILE 71 58.666 -3.581 -3.556
177 HB ILE 71 HB ILE 71 55.788 -3.360 -4.444
178 HG12 ILE 71 HG12 ILE 71 57.202 -3.792 -6.716
179 HG13 ILE 71 HG11 ILE 71 58.132 -4.765 -5.580
180 HG21 ILE 71 HG21 ILE 71 56.281 -1.367 -5.320
181 HG22 ILE 71 HG22 ILE 71 57.821 -1.936 -5.964
182 HG23 ILE 71 HG23 ILE 71 57.711 -1.398 -4.289
183 HD11 ILE 71 HD11 ILE 71 55.587 -5.302 -6.808
184 HD12 ILE 71 HD12 ILE 71 55.486 -5.412 -5.051
185 HD13 ILE 71 HD13 ILE 71 56.667 -6.383 -5.931
186 H PHE 72 HN PHE 72 55.760 -4.013 -1.669
187 HA PHE 72 HA PHE 72 55.453 -1.364 -0.759
188 HB2 PHE 72 HB2 PHE 72 53.658 -2.982 -0.531
189 HB3 PHE 72 HB1 PHE 72 54.652 -3.984 0.520
190 HD1 PHE 72 HD2 PHE 72 53.878 -0.335 0.458
191 HD2 PHE 72 HD1 PHE 72 53.800 -3.981 2.647
192 HE1 PHE 72 HE2 PHE 72 53.002 0.867 2.417
193 HE2 PHE 72 HE1 PHE 72 52.924 -2.787 4.612
194 HZ PHE 72 HZ PHE 72 52.523 -0.359 4.499
195 H GLU 73 HN GLU 73 57.252 -4.115 0.536
196 HA GLU 73 HA GLU 73 58.123 -2.743 2.881
197 HB2 GLU 73 HB2 GLU 73 59.622 -4.667 3.188
198 HB3 GLU 73 HB1 GLU 73 57.979 -5.183 2.835
199 HG2 GLU 73 HG2 GLU 73 58.542 -5.803 0.630
200 HG3 GLU 73 HG1 GLU 73 60.100 -4.984 0.721
201 H ASP 74 HN ASP 74 59.362 -3.263 -0.348
202 HA ASP 74 HA ASP 74 61.965 -2.260 0.166
203 HB2 ASP 74 HB2 ASP 74 60.428 -3.131 -2.179
204 HB3 ASP 74 HB1 ASP 74 61.577 -1.842 -2.522
205 H HIS 75 HN HIS 75 58.972 -0.860 -1.042
206 HA HIS 75 HA HIS 75 59.913 1.670 -1.731
207 HB2 HIS 75 HB2 HIS 75 57.677 0.915 -2.344
208 HB3 HIS 75 HB1 HIS 75 57.204 0.876 -0.648
209 HD1 HIS 75 HD1 HIS 75 57.010 3.009 -3.539
210 HD2 HIS 75 HD2 HIS 75 57.439 3.589 0.559
211 HE1 HIS 75 HE1 HIS 75 56.374 5.418 -3.084
212 H VAL 76 HN VAL 76 58.404 0.615 1.309
213 HA VAL 76 HA VAL 76 58.781 3.006 2.725
214 HB VAL 76 HB VAL 76 58.760 0.195 3.845
215 HG11 VAL 76 HG11 VAL 76 59.351 2.554 5.150
216 HG12 VAL 76 HG12 VAL 76 58.805 1.056 5.904
217 HG13 VAL 76 HG13 VAL 76 57.637 2.313 5.493
218 HG21 VAL 76 HG21 VAL 76 56.669 1.849 2.682
219 HG22 VAL 76 HG22 VAL 76 56.292 1.331 4.325
220 HG23 VAL 76 HG23 VAL 76 56.662 0.131 3.086
221 H PHE 77 HN PHE 77 60.850 0.239 2.167
222 HA PHE 77 HA PHE 77 62.901 0.769 3.979
223 HB2 PHE 77 HB2 PHE 77 62.561 -1.246 2.360
224 HB3 PHE 77 HB1 PHE 77 63.481 -0.273 1.219
225 HD1 PHE 77 HD2 PHE 77 65.757 0.641 2.088
226 HD2 PHE 77 HD1 PHE 77 63.671 -2.638 3.823
227 HE1 PHE 77 HE2 PHE 77 67.854 -0.151 3.103
228 HE2 PHE 77 HE1 PHE 77 65.763 -3.435 4.842
229 HZ PHE 77 HZ PHE 77 67.860 -2.191 4.482
230 H CYS 78 HN CYS 78 62.166 2.143 0.842
231 HA CYS 78 HA CYS 78 64.589 3.527 0.485
232 HB2 CYS 78 HB2 CYS 78 62.321 3.174 -1.031
233 HB3 CYS 78 HB1 CYS 78 62.216 4.876 -0.593
234 HG CYS 78 HG CYS 78 63.633 4.246 -2.870
235 H HIS 79 HN HIS 79 61.496 4.524 1.881
236 HA HIS 79 HA HIS 79 62.307 7.137 2.582
237 HB2 HIS 79 HB2 HIS 79 60.235 5.298 3.798
238 HB3 HIS 79 HB1 HIS 79 60.467 6.965 4.313
239 HD1 HIS 79 HD1 HIS 79 59.935 8.826 2.420
240 HD2 HIS 79 HD2 HIS 79 58.660 4.952 1.641
241 HE1 HIS 79 HE1 HIS 79 58.210 9.004 0.577
242 H SER 80 HN SER 80 63.118 4.044 3.763
243 HA SER 80 HA SER 80 63.817 4.827 6.432
244 HB2 SER 80 HB2 SER 80 63.288 2.438 5.350
245 HB3 SER 80 HB1 SER 80 65.046 2.413 5.215
246 HG SER 80 HG SER 80 65.028 2.995 7.515
247 H LEU 81 HN LEU 81 65.309 5.129 3.390
248 HA LEU 81 HA LEU 81 68.013 5.055 4.313
249 HB2 LEU 81 HB2 LEU 81 66.914 6.207 1.759
250 HB3 LEU 81 HB1 LEU 81 68.594 5.817 2.088
251 HG LEU 81 HG LEU 81 66.576 3.656 2.351
252 HD11 LEU 81 HD11 LEU 81 67.739 4.410 -0.323
253 HD12 LEU 81 HD12 LEU 81 66.125 4.899 0.192
254 HD13 LEU 81 HD13 LEU 81 66.517 3.187 0.030
255 HD21 LEU 81 HD21 LEU 81 69.422 3.759 1.354
256 HD22 LEU 81 HD22 LEU 81 68.446 2.300 1.527
257 HD23 LEU 81 HD23 LEU 81 68.892 3.236 2.953