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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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7440 |
1kjs ![]() ![]() |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HN MET 1 54.698 -10.516 -9.834 2 HA MET 1 HA MET 1 55.645 -10.071 -7.727 3 1HB MET 1 HB2 MET 1 57.574 -8.796 -9.633 4 2HB MET 1 HB1 MET 1 57.764 -8.578 -7.894 5 1HG MET 1 HG2 MET 1 59.069 -10.516 -8.582 6 2HG MET 1 HG1 MET 1 57.697 -11.064 -7.619 7 1HE MET 1 HE2 MET 1 59.646 -11.114 -10.696 8 2HE MET 1 HE1 MET 1 59.579 -12.703 -9.938 9 3HE MET 1 HE3 MET 1 58.959 -12.475 -11.579 10 H LEU 2 HN LEU 2 53.538 -8.710 -7.565 11 HA LEU 2 HA LEU 2 53.791 -5.832 -7.730 12 1HB LEU 2 HB2 LEU 2 51.620 -7.196 -7.765 13 2HB LEU 2 HB1 LEU 2 51.818 -7.349 -6.020 14 HG LEU 2 HG LEU 2 52.044 -4.792 -5.983 15 1HD1 LEU 2 HD13 LEU 2 51.272 -5.320 -8.828 16 2HD1 LEU 2 HD12 LEU 2 50.620 -3.889 -8.031 17 3HD1 LEU 2 HD11 LEU 2 52.365 -4.101 -8.175 18 1HD2 LEU 2 HD22 LEU 2 49.706 -6.511 -6.207 19 2HD2 LEU 2 HD21 LEU 2 49.979 -5.138 -5.134 20 3HD2 LEU 2 HD23 LEU 2 49.351 -4.874 -6.761 21 H GLN 3 HN GLN 3 55.387 -7.913 -5.801 22 HA GLN 3 HA GLN 3 56.302 -6.007 -3.929 23 1HB GLN 3 HB2 GLN 3 55.094 -6.539 -1.909 24 2HB GLN 3 HB1 GLN 3 53.895 -6.177 -3.149 25 1HG GLN 3 HG2 GLN 3 54.172 -8.838 -3.550 26 2HG GLN 3 HG1 GLN 3 54.509 -8.754 -1.821 27 1HE2 GLN 3 HE22 GLN 3 51.183 -7.050 -1.366 28 2HE2 GLN 3 HE21 GLN 3 52.792 -6.557 -1.142 29 H LYS 4 HN LYS 4 57.853 -7.704 -5.174 30 HA LYS 4 HA LYS 4 58.128 -10.189 -3.587 31 1HB LYS 4 HB2 LYS 4 58.499 -9.609 -6.287 32 2HB LYS 4 HB1 LYS 4 60.138 -9.766 -5.654 33 1HG LYS 4 HG2 LYS 4 58.026 -11.794 -4.949 34 2HG LYS 4 HG1 LYS 4 58.922 -11.919 -6.464 35 1HD LYS 4 HD2 LYS 4 60.344 -13.132 -5.117 36 2HD LYS 4 HD1 LYS 4 60.996 -11.520 -4.816 37 1HE LYS 4 HE2 LYS 4 60.673 -12.555 -2.667 38 2HE LYS 4 HE1 LYS 4 59.398 -11.351 -2.854 39 1HZ LYS 4 HZ2 LYS 4 58.184 -13.429 -3.912 40 2HZ LYS 4 HZ1 LYS 4 59.223 -14.261 -2.856 41 3HZ LYS 4 HZ3 LYS 4 58.140 -13.110 -2.243 42 H LYS 5 HN LYS 5 60.274 -7.536 -4.698 43 HA LYS 5 HA LYS 5 62.322 -8.296 -2.797 44 1HB LYS 5 HB2 LYS 5 63.624 -6.830 -3.975 45 2HB LYS 5 HB1 LYS 5 62.290 -6.864 -5.123 46 1HG LYS 5 HG2 LYS 5 61.320 -4.875 -4.170 47 2HG LYS 5 HG1 LYS 5 62.492 -4.878 -2.859 48 1HD LYS 5 HD2 LYS 5 63.149 -4.549 -5.798 49 2HD LYS 5 HD1 LYS 5 63.146 -3.257 -4.597 50 1HE LYS 5 HE2 LYS 5 64.784 -4.932 -3.325 51 2HE LYS 5 HE1 LYS 5 65.085 -5.501 -4.967 52 1HZ LYS 5 HZ1 LYS 5 65.166 -2.846 -5.289 53 2HZ LYS 5 HZ3 LYS 5 65.798 -2.991 -3.721 54 3HZ LYS 5 HZ2 LYS 5 66.535 -3.814 -5.012 55 H ILE 6 HN ILE 6 59.454 -6.490 -2.655 56 HA ILE 6 HA ILE 6 60.361 -4.893 -0.333 57 HB ILE 6 HB ILE 6 57.653 -4.873 -1.670 58 1HG1 ILE 6 HG12 ILE 6 59.717 -4.568 -3.214 59 2HG1 ILE 6 HG11 ILE 6 58.475 -3.303 -3.250 60 1HG2 ILE 6 HG22 ILE 6 58.963 -3.400 0.470 61 2HG2 ILE 6 HG21 ILE 6 58.431 -2.322 -0.819 62 3HG2 ILE 6 HG23 ILE 6 57.269 -3.380 -0.018 63 1HD1 ILE 6 HD12 ILE 6 60.865 -3.129 -1.410 64 2HD1 ILE 6 HD11 ILE 6 60.923 -2.527 -3.066 65 3HD1 ILE 6 HD13 ILE 6 59.781 -1.834 -1.916 66 H GLU 7 HN GLU 7 58.169 -7.547 -1.162 67 HA GLU 7 HA GLU 7 56.991 -7.644 1.506 68 1HB GLU 7 HB2 GLU 7 55.879 -9.622 0.767 69 2HB GLU 7 HB1 GLU 7 55.956 -8.588 -0.658 70 1HG GLU 7 HG2 GLU 7 56.724 -10.594 -1.546 71 2HG GLU 7 HG1 GLU 7 58.248 -9.851 -1.059 72 H GLU 8 HN GLU 8 59.836 -8.775 -0.072 73 HA GLU 8 HA GLU 8 60.467 -10.866 1.855 74 1HB GLU 8 HB2 GLU 8 62.517 -11.098 0.645 75 2HB GLU 8 HB1 GLU 8 61.295 -10.717 -0.569 76 1HG GLU 8 HG2 GLU 8 61.959 -8.337 -0.520 77 2HG GLU 8 HG1 GLU 8 63.165 -8.711 0.727 78 H ILE 9 HN ILE 9 61.583 -7.527 1.247 79 HA ILE 9 HA ILE 9 63.365 -7.492 3.516 80 HB ILE 9 HB ILE 9 63.322 -5.961 1.403 81 1HG1 ILE 9 HG12 ILE 9 64.932 -5.732 3.251 82 2HG1 ILE 9 HG11 ILE 9 64.409 -4.145 2.685 83 1HG2 ILE 9 HG21 ILE 9 60.997 -5.195 1.710 84 2HG2 ILE 9 HG23 ILE 9 61.445 -4.462 3.249 85 3HG2 ILE 9 HG22 ILE 9 62.127 -3.841 1.746 86 1HD1 ILE 9 HD13 ILE 9 62.534 -4.560 4.569 87 2HD1 ILE 9 HD12 ILE 9 63.841 -5.522 5.260 88 3HD1 ILE 9 HD11 ILE 9 64.087 -3.807 4.931 89 H ALA 10 HN ALA 10 59.984 -6.876 2.988 90 HA ALA 10 HA ALA 10 59.464 -5.482 5.464 91 1HB ALA 10 HB1 ALA 10 57.690 -7.099 3.620 92 2HB ALA 10 HB3 ALA 10 57.090 -6.198 5.011 93 3HB ALA 10 HB2 ALA 10 57.848 -5.345 3.668 94 H ALA 11 HN ALA 11 59.015 -8.849 4.405 95 HA ALA 11 HA ALA 11 58.176 -9.837 6.954 96 1HB ALA 11 HB1 ALA 11 59.135 -11.010 4.396 97 2HB ALA 11 HB3 ALA 11 59.252 -12.031 5.829 98 3HB ALA 11 HB2 ALA 11 57.689 -11.384 5.333 99 H LYS 12 HN LYS 12 61.373 -9.296 5.527 100 HA LYS 12 HA LYS 12 62.637 -10.753 7.764 101 1HB LYS 12 HB2 LYS 12 64.755 -10.242 6.690 102 2HB LYS 12 HB1 LYS 12 63.621 -10.815 5.467 103 1HG LYS 12 HG2 LYS 12 64.120 -8.939 4.328 104 2HG LYS 12 HG1 LYS 12 63.157 -8.083 5.535 105 1HD LYS 12 HD2 LYS 12 65.051 -6.942 6.016 106 2HD LYS 12 HD1 LYS 12 65.606 -8.422 6.798 107 1HE LYS 12 HE2 LYS 12 66.128 -8.920 4.131 108 2HE LYS 12 HE1 LYS 12 66.488 -7.200 4.280 109 1HZ LYS 12 HZ3 LYS 12 67.483 -8.725 6.485 110 2HZ LYS 12 HZ2 LYS 12 68.129 -9.248 5.003 111 3HZ LYS 12 HZ1 LYS 12 68.294 -7.626 5.479 112 H TYR 13 HN TYR 13 61.061 -8.671 8.691 113 HA TYR 13 HA TYR 13 63.049 -6.594 9.492 114 1HB TYR 13 HB2 TYR 13 60.075 -6.591 9.180 115 2HB TYR 13 HB1 TYR 13 60.782 -5.559 10.419 116 HD1 TYR 13 HD1 TYR 13 63.319 -4.720 9.301 117 HD2 TYR 13 HD2 TYR 13 59.526 -5.222 7.353 118 HE1 TYR 13 HE1 TYR 13 63.993 -3.079 7.568 119 HE2 TYR 13 HE2 TYR 13 60.201 -3.586 5.619 120 HH TYR 13 HH TYR 13 61.954 -1.539 5.604 121 H LYS 14 HN LYS 14 63.412 -6.254 11.695 122 HA LYS 14 HA LYS 14 62.762 -8.519 13.452 123 1HB LYS 14 HB2 LYS 14 64.280 -7.507 15.022 124 2HB LYS 14 HB1 LYS 14 65.008 -7.324 13.428 125 1HG LYS 14 HG2 LYS 14 63.822 -5.033 13.350 126 2HG LYS 14 HG1 LYS 14 63.606 -5.234 15.089 127 1HD LYS 14 HD2 LYS 14 66.249 -5.267 13.602 128 2HD LYS 14 HD1 LYS 14 65.662 -3.978 14.653 129 1HE LYS 14 HE2 LYS 14 66.178 -6.834 15.535 130 2HE LYS 14 HE1 LYS 14 67.263 -5.474 15.826 131 1HZ LYS 14 HZ1 LYS 14 64.940 -4.512 16.738 132 2HZ LYS 14 HZ3 LYS 14 64.764 -6.156 17.117 133 3HZ LYS 14 HZ2 LYS 14 66.096 -5.286 17.713 134 H HIS 15 HN HIS 15 60.458 -7.029 12.630 135 HA HIS 15 HA HIS 15 59.256 -6.501 15.183 136 1HB HIS 15 HB2 HIS 15 60.703 -4.346 13.965 137 2HB HIS 15 HB1 HIS 15 58.984 -3.951 13.946 138 HD1 HIS 15 HD1 HIS 15 61.889 -4.485 16.220 139 HD2 HIS 15 HD2 HIS 15 57.791 -3.788 16.571 140 HE1 HIS 15 HE1 HIS 15 61.469 -3.877 18.644 141 H SER 16 HN SER 16 57.404 -7.556 14.583 142 HA SER 16 HA SER 16 56.209 -7.896 12.142 143 1HB SER 16 HB2 SER 16 54.714 -7.208 14.685 144 2HB SER 16 HB1 SER 16 54.039 -8.040 13.287 145 HG SER 16 HG SER 16 54.708 -9.544 14.825 146 H VAL 17 HN VAL 17 55.769 -4.927 14.130 147 HA VAL 17 HA VAL 17 53.889 -3.672 12.418 148 HB VAL 17 HB VAL 17 55.998 -2.273 14.079 149 1HG1 VAL 17 HG13 VAL 17 53.453 -1.512 12.729 150 2HG1 VAL 17 HG12 VAL 17 53.746 -0.817 14.323 151 3HG1 VAL 17 HG11 VAL 17 54.903 -0.550 13.019 152 1HG2 VAL 17 HG23 VAL 17 53.776 -4.015 14.846 153 2HG2 VAL 17 HG22 VAL 17 55.080 -3.363 15.839 154 3HG2 VAL 17 HG21 VAL 17 53.631 -2.401 15.543 155 H VAL 18 HN VAL 18 57.460 -3.575 12.365 156 HA VAL 18 HA VAL 18 57.825 -1.585 10.416 157 HB VAL 18 HB VAL 18 59.375 -4.188 10.494 158 1HG1 VAL 18 HG13 VAL 18 59.674 -2.319 8.682 159 2HG1 VAL 18 HG12 VAL 18 60.467 -1.440 9.989 160 3HG1 VAL 18 HG11 VAL 18 61.101 -2.998 9.465 161 1HG2 VAL 18 HG21 VAL 18 58.962 -2.603 12.685 162 2HG2 VAL 18 HG23 VAL 18 60.416 -3.559 12.409 163 3HG2 VAL 18 HG22 VAL 18 60.390 -1.854 11.979 164 H LYS 19 HN LYS 19 56.421 -4.737 10.126 165 HA LYS 19 HA LYS 19 56.809 -5.196 7.340 166 1HB LYS 19 HB2 LYS 19 55.595 -6.584 9.335 167 2HB LYS 19 HB1 LYS 19 54.179 -5.956 8.491 168 1HG LYS 19 HG2 LYS 19 55.325 -6.788 6.333 169 2HG LYS 19 HG1 LYS 19 56.375 -7.717 7.403 170 1HD LYS 19 HD2 LYS 19 53.360 -7.848 7.593 171 2HD LYS 19 HD1 LYS 19 54.287 -8.928 6.550 172 1HE LYS 19 HE2 LYS 19 55.705 -9.304 8.761 173 2HE LYS 19 HE1 LYS 19 54.211 -8.785 9.540 174 1HZ LYS 19 HZ2 LYS 19 53.578 -10.601 7.501 175 2HZ LYS 19 HZ1 LYS 19 54.806 -11.286 8.454 176 3HZ LYS 19 HZ3 LYS 19 53.359 -10.778 9.176 177 H LYS 20 HN LYS 20 54.035 -3.676 9.030 178 HA LYS 20 HA LYS 20 52.654 -2.868 6.678 179 1HB LYS 20 HB2 LYS 20 51.472 -2.793 8.750 180 2HB LYS 20 HB1 LYS 20 52.691 -1.754 9.484 181 1HG LYS 20 HG2 LYS 20 51.489 0.036 8.834 182 2HG LYS 20 HG1 LYS 20 51.806 -0.400 7.153 183 1HD LYS 20 HD2 LYS 20 49.362 -0.205 7.691 184 2HD LYS 20 HD1 LYS 20 49.822 -1.797 7.087 185 1HE LYS 20 HE2 LYS 20 49.065 -2.755 8.974 186 2HE LYS 20 HE1 LYS 20 50.167 -1.767 9.933 187 1HZ LYS 20 HZ2 LYS 20 48.120 -0.096 9.117 188 2HZ LYS 20 HZ1 LYS 20 47.367 -1.526 9.641 189 3HZ LYS 20 HZ3 LYS 20 48.406 -0.684 10.685 190 H CYS 21 HN CYS 21 55.028 -1.131 8.690 191 HA CYS 21 HA CYS 21 55.030 1.353 7.401 192 1HB CYS 21 HB2 CYS 21 57.312 -0.233 8.604 193 2HB CYS 21 HB1 CYS 21 57.488 1.430 8.050 194 H CYS 22 HN CYS 22 56.967 -1.518 6.532 195 HA CYS 22 HA CYS 22 58.063 -0.295 4.153 196 1HB CYS 22 HB2 CYS 22 59.322 -2.104 4.983 197 2HB CYS 22 HB1 CYS 22 57.898 -3.115 5.215 198 H TYR 23 HN TYR 23 55.103 -1.946 4.961 199 HA TYR 23 HA TYR 23 54.299 -2.783 2.373 200 1HB TYR 23 HB2 TYR 23 53.072 -2.429 4.943 201 2HB TYR 23 HB1 TYR 23 52.004 -1.804 3.700 202 HD1 TYR 23 HD2 TYR 23 51.829 -3.291 1.513 203 HD2 TYR 23 HD1 TYR 23 53.027 -4.670 5.391 204 HE1 TYR 23 HE2 TYR 23 51.231 -5.612 0.866 205 HE2 TYR 23 HE1 TYR 23 52.439 -6.956 4.747 206 HH TYR 23 HH TYR 23 50.539 -7.753 2.168 207 H ASP 24 HN ASP 24 53.532 0.251 4.106 208 HA ASP 24 HA ASP 24 52.371 1.554 1.833 209 1HB ASP 24 HB2 ASP 24 53.809 3.036 4.028 210 2HB ASP 24 HB1 ASP 24 52.355 3.510 3.151 211 H GLY 25 HN GLY 25 55.667 1.644 3.220 212 1HA GLY 25 HA2 GLY 25 56.935 3.473 1.612 213 2HA GLY 25 HA1 GLY 25 57.704 1.946 2.060 214 H ALA 26 HN ALA 26 56.479 0.035 0.696 215 HA ALA 26 HA ALA 26 57.298 0.366 -2.018 216 1HB ALA 26 HB1 ALA 26 56.392 -1.750 -0.399 217 2HB ALA 26 HB3 ALA 26 55.234 -1.653 -1.726 218 3HB ALA 26 HB2 ALA 26 56.951 -1.863 -2.068 219 H CYS 27 HN CYS 27 54.126 0.678 -0.426 220 HA CYS 27 HA CYS 27 52.807 1.281 -2.997 221 1HB CYS 27 HB2 CYS 27 51.667 1.525 -0.201 222 2HB CYS 27 HB1 CYS 27 50.769 1.407 -1.714 223 HG CYS 27 HG CYS 27 50.798 -1.031 -1.218 224 H VAL 28 HN VAL 28 54.925 2.994 -1.491 225 HA VAL 28 HA VAL 28 54.304 5.359 -0.445 226 HB VAL 28 HB VAL 28 56.533 5.105 -1.200 227 1HG1 VAL 28 HG12 VAL 28 55.347 4.843 -3.976 228 2HG1 VAL 28 HG11 VAL 28 57.076 4.946 -3.645 229 3HG1 VAL 28 HG13 VAL 28 56.142 3.577 -3.041 230 1HG2 VAL 28 HG23 VAL 28 55.166 7.439 -1.733 231 2HG2 VAL 28 HG22 VAL 28 56.916 7.255 -1.845 232 3HG2 VAL 28 HG21 VAL 28 55.918 7.093 -3.290 233 H ASN 29 HN ASN 29 53.377 7.353 -1.007 234 HA ASN 29 HA ASN 29 51.046 7.410 -2.516 235 1HB ASN 29 HB2 ASN 29 52.722 9.339 -1.216 236 2HB ASN 29 HB1 ASN 29 52.229 9.985 -2.782 237 1HD2 ASN 29 HD22 ASN 29 48.783 10.223 -1.903 238 2HD2 ASN 29 HD21 ASN 29 49.889 10.209 -3.191 239 H ASN 30 HN ASN 30 54.222 8.665 -3.670 240 HA ASN 30 HA ASN 30 53.770 7.552 -6.310 241 1HB ASN 30 HB2 ASN 30 52.192 9.387 -6.495 242 2HB ASN 30 HB1 ASN 30 53.402 10.532 -5.912 243 1HD2 ASN 30 HD22 ASN 30 55.149 10.681 -9.024 244 2HD2 ASN 30 HD21 ASN 30 55.279 10.967 -7.356 245 H ASP 31 HN ASP 31 55.380 10.481 -4.980 246 HA ASP 31 HA ASP 31 57.889 9.483 -6.251 247 1HB ASP 31 HB2 ASP 31 56.663 11.968 -6.388 248 2HB ASP 31 HB1 ASP 31 57.957 12.214 -5.216 249 H GLU 32 HN GLU 32 59.725 10.976 -4.854 250 HA GLU 32 HA GLU 32 60.628 9.467 -2.786 251 1HB GLU 32 HB2 GLU 32 60.817 12.366 -3.386 252 2HB GLU 32 HB1 GLU 32 61.275 11.882 -1.752 253 1HG GLU 32 HG2 GLU 32 62.339 10.525 -4.241 254 2HG GLU 32 HG1 GLU 32 63.170 11.855 -3.434 255 H THR 33 HN THR 33 59.014 12.498 -1.818 256 HA THR 33 HA THR 33 58.446 11.869 0.811 257 HB THR 33 HB THR 33 57.811 14.032 0.293 258 HG1 THR 33 HG1 THR 33 55.374 13.936 0.080 259 1HG2 THR 33 HG22 THR 33 56.723 12.787 -2.213 260 2HG2 THR 33 HG21 THR 33 56.203 14.402 -1.730 261 3HG2 THR 33 HG23 THR 33 57.910 14.081 -2.041 262 H CYS 34 HN CYS 34 57.969 9.586 0.907 263 HA CYS 34 HA CYS 34 55.480 8.610 -0.312 264 1HB CYS 34 HB2 CYS 34 56.483 6.855 1.770 265 2HB CYS 34 HB1 CYS 34 56.325 6.543 0.051 266 H GLU 35 HN GLU 35 56.396 8.098 3.086 267 HA GLU 35 HA GLU 35 53.707 8.473 3.979 268 1HB GLU 35 HB2 GLU 35 56.120 7.678 5.156 269 2HB GLU 35 HB1 GLU 35 55.665 9.147 6.018 270 1HG GLU 35 HG2 GLU 35 53.747 6.875 5.491 271 2HG GLU 35 HG1 GLU 35 54.705 6.989 6.964 272 H GLN 36 HN GLN 36 56.319 10.580 3.167 273 HA GLN 36 HA GLN 36 55.491 12.937 4.569 274 1HB GLN 36 HB2 GLN 36 57.161 12.345 2.157 275 2HB GLN 36 HB1 GLN 36 56.537 13.987 2.322 276 1HG GLN 36 HG2 GLN 36 57.462 13.314 4.882 277 2HG GLN 36 HG1 GLN 36 58.692 12.697 3.778 278 1HE2 GLN 36 HE22 GLN 36 57.867 16.713 3.397 279 2HE2 GLN 36 HE21 GLN 36 56.582 15.621 3.584 280 H ARG 37 HN ARG 37 54.722 11.584 1.344 281 HA ARG 37 HA ARG 37 52.810 13.588 0.618 282 1HB ARG 37 HB2 ARG 37 53.395 10.780 -0.186 283 2HB ARG 37 HB1 ARG 37 51.755 11.347 -0.504 284 1HG ARG 37 HG2 ARG 37 54.017 13.155 -1.238 285 2HG ARG 37 HG1 ARG 37 53.722 11.748 -2.261 286 1HD ARG 37 HD2 ARG 37 51.179 12.679 -1.933 287 2HD ARG 37 HD1 ARG 37 52.091 14.189 -1.895 288 HE ARG 37 HE ARG 37 52.737 12.351 -4.111 289 1HH1 ARG 37 HH21 ARG 37 50.205 14.396 -3.236 290 2HH1 ARG 37 HH22 ARG 37 50.285 15.381 -4.658 291 1HH2 ARG 37 HH12 ARG 37 53.205 13.924 -5.827 292 2HH2 ARG 37 HH11 ARG 37 51.983 15.114 -6.125 293 H ALA 38 HN ALA 38 52.705 10.712 2.648 294 HA ALA 38 HA ALA 38 49.955 10.424 3.130 295 1HB ALA 38 HB2 ALA 38 52.080 9.215 4.187 296 2HB ALA 38 HB1 ALA 38 51.832 10.388 5.477 297 3HB ALA 38 HB3 ALA 38 50.552 9.250 5.060 298 H ALA 39 HN ALA 39 52.092 12.222 5.321 299 HA ALA 39 HA ALA 39 50.746 14.712 5.218 300 1HB ALA 39 HB1 ALA 39 49.728 12.825 7.368 301 2HB ALA 39 HB3 ALA 39 49.454 14.567 7.373 302 3HB ALA 39 HB2 ALA 39 48.776 13.571 6.085 303 H ARG 40 HN ARG 40 52.255 12.312 7.288 304 HA ARG 40 HA ARG 40 54.590 13.828 7.842 305 1HB ARG 40 HB2 ARG 40 52.279 14.513 9.480 306 2HB ARG 40 HB1 ARG 40 53.612 13.901 10.460 307 1HG ARG 40 HG2 ARG 40 55.138 15.505 9.275 308 2HG ARG 40 HG1 ARG 40 53.722 16.188 8.476 309 1HD ARG 40 HD2 ARG 40 53.433 17.521 10.267 310 2HD ARG 40 HD1 ARG 40 53.065 16.079 11.213 311 HE ARG 40 HE ARG 40 55.874 17.057 10.904 312 1HH1 ARG 40 HH12 ARG 40 56.731 15.337 12.523 313 2HH1 ARG 40 HH11 ARG 40 56.053 15.520 14.106 314 1HH2 ARG 40 HH21 ARG 40 53.458 17.563 13.047 315 2HH2 ARG 40 HH22 ARG 40 54.200 16.781 14.403 316 H ILE 41 HN ILE 41 55.924 12.049 8.063 317 HA ILE 41 HA ILE 41 55.021 9.481 8.793 318 HB ILE 41 HB ILE 41 57.283 9.942 7.776 319 1HG1 ILE 41 HG12 ILE 41 58.375 8.127 9.054 320 2HG1 ILE 41 HG11 ILE 41 57.153 8.303 10.313 321 1HG2 ILE 41 HG21 ILE 41 57.666 11.740 9.707 322 2HG2 ILE 41 HG23 ILE 41 58.344 10.339 10.537 323 3HG2 ILE 41 HG22 ILE 41 59.016 10.859 8.991 324 1HD1 ILE 41 HD13 ILE 41 56.181 7.984 7.518 325 2HD1 ILE 41 HD12 ILE 41 56.849 6.555 8.302 326 3HD1 ILE 41 HD11 ILE 41 55.476 7.397 9.022 327 H SER 42 HN SER 42 53.662 9.540 10.519 328 HA SER 42 HA SER 42 55.075 9.825 13.078 329 1HB SER 42 HB2 SER 42 53.506 11.226 14.045 330 2HB SER 42 HB1 SER 42 53.537 11.850 12.394 331 HG SER 42 HG SER 42 51.656 10.835 11.974 332 H LEU 43 HN LEU 43 54.805 7.467 11.978 333 HA LEU 43 HA LEU 43 52.543 6.319 13.495 334 1HB LEU 43 HB2 LEU 43 53.822 5.306 10.939 335 2HB LEU 43 HB1 LEU 43 52.625 4.402 11.867 336 HG LEU 43 HG LEU 43 51.832 7.176 11.286 337 1HD1 LEU 43 HD11 LEU 43 52.648 5.296 9.118 338 2HD1 LEU 43 HD13 LEU 43 51.149 6.196 8.887 339 3HD1 LEU 43 HD12 LEU 43 52.665 7.059 9.142 340 1HD2 LEU 43 HD23 LEU 43 50.584 4.430 10.975 341 2HD2 LEU 43 HD22 LEU 43 50.264 5.607 12.249 342 3HD2 LEU 43 HD21 LEU 43 49.741 5.933 10.596 343 H GLY 44 HN GLY 44 55.838 6.704 13.367 344 1HA GLY 44 HA2 GLY 44 56.648 5.388 15.570 345 2HA GLY 44 HA1 GLY 44 56.489 4.026 14.462 346 HA PRO 45 HA PRO 45 60.701 6.175 13.866 347 1HB PRO 45 HB2 PRO 45 62.213 4.448 15.314 348 2HB PRO 45 HB1 PRO 45 61.452 5.877 16.021 349 1HG PRO 45 HG2 PRO 45 60.706 3.028 16.297 350 2HG PRO 45 HG1 PRO 45 60.503 4.366 17.436 351 1HD PRO 45 HD2 PRO 45 58.505 3.270 15.830 352 2HD PRO 45 HD1 PRO 45 58.413 4.814 16.678 353 H ARG 46 HN ARG 46 60.469 2.633 14.406 354 HA ARG 46 HA ARG 46 62.196 1.812 12.365 355 1HB ARG 46 HB2 ARG 46 61.230 -0.324 12.556 356 2HB ARG 46 HB1 ARG 46 60.908 0.409 14.122 357 1HG ARG 46 HG2 ARG 46 58.916 0.510 11.846 358 2HG ARG 46 HG1 ARG 46 58.931 -0.778 13.046 359 1HD ARG 46 HD2 ARG 46 58.739 2.165 13.733 360 2HD ARG 46 HD1 ARG 46 57.355 1.085 13.611 361 HE ARG 46 HE ARG 46 59.558 0.673 15.593 362 1HH1 ARG 46 HH12 ARG 46 57.698 -1.603 15.276 363 2HH1 ARG 46 HH11 ARG 46 56.476 -1.270 16.458 364 1HH2 ARG 46 HH21 ARG 46 57.367 2.062 16.824 365 2HH2 ARG 46 HH22 ARG 46 56.289 0.805 17.335 366 H CYS 47 HN CYS 47 59.033 3.161 12.160 367 HA CYS 47 HA CYS 47 58.296 2.341 9.493 368 1HB CYS 47 HB2 CYS 47 57.218 3.942 11.551 369 2HB CYS 47 HB1 CYS 47 57.442 5.031 10.174 370 H ILE 48 HN ILE 48 59.572 5.441 10.675 371 HA ILE 48 HA ILE 48 59.910 6.862 8.405 372 HB ILE 48 HB ILE 48 61.669 6.529 10.805 373 1HG1 ILE 48 HG12 ILE 48 61.086 8.944 11.033 374 2HG1 ILE 48 HG11 ILE 48 60.170 8.840 9.530 375 1HG2 ILE 48 HG21 ILE 48 62.414 7.838 8.220 376 2HG2 ILE 48 HG23 ILE 48 62.912 8.593 9.734 377 3HG2 ILE 48 HG22 ILE 48 63.429 6.949 9.356 378 1HD1 ILE 48 HD12 ILE 48 58.747 7.075 10.551 379 2HD1 ILE 48 HD11 ILE 48 59.625 7.274 12.066 380 3HD1 ILE 48 HD13 ILE 48 58.654 8.601 11.430 381 H LYS 49 HN LYS 49 62.553 4.637 9.446 382 HA LYS 49 HA LYS 49 63.693 4.735 6.758 383 1HB LYS 49 HB2 LYS 49 64.474 3.624 9.395 384 2HB LYS 49 HB1 LYS 49 65.122 2.799 7.976 385 1HG LYS 49 HG2 LYS 49 65.316 5.621 7.537 386 2HG LYS 49 HG1 LYS 49 65.999 5.258 9.122 387 1HD LYS 49 HD2 LYS 49 67.717 4.020 8.251 388 2HD LYS 49 HD1 LYS 49 66.734 3.400 6.924 389 1HE LYS 49 HE2 LYS 49 66.844 5.643 5.840 390 2HE LYS 49 HE1 LYS 49 67.915 6.186 7.132 391 1HZ LYS 49 HZ2 LYS 49 68.947 3.792 6.200 392 2HZ LYS 49 HZ1 LYS 49 68.546 4.696 4.818 393 3HZ LYS 49 HZ3 LYS 49 69.593 5.349 5.982 394 H ALA 50 HN ALA 50 61.497 2.579 8.426 395 HA ALA 50 HA ALA 50 62.087 0.285 6.777 396 1HB ALA 50 HB2 ALA 50 59.592 0.988 8.361 397 2HB ALA 50 HB1 ALA 50 59.914 -0.584 7.629 398 3HB ALA 50 HB3 ALA 50 60.938 0.006 8.937 399 H PHE 51 HN PHE 51 59.270 2.439 6.887 400 HA PHE 51 HA PHE 51 58.333 1.700 4.337 401 1HB PHE 51 HB2 PHE 51 56.660 3.207 4.700 402 2HB PHE 51 HB1 PHE 51 57.247 3.114 6.350 403 HD1 PHE 51 HD2 PHE 51 57.652 5.059 3.162 404 HD2 PHE 51 HD1 PHE 51 58.032 5.042 7.424 405 HE1 PHE 51 HE2 PHE 51 58.168 7.486 3.132 406 HE2 PHE 51 HE1 PHE 51 58.534 7.459 7.398 407 HZ PHE 51 HZ PHE 51 58.602 8.685 5.266 408 H THR 52 HN THR 52 60.279 4.510 5.397 409 HA THR 52 HA THR 52 60.451 5.769 2.895 410 HB THR 52 HB THR 52 62.552 5.564 5.064 411 HG1 THR 52 HG1 THR 52 61.766 7.830 5.247 412 1HG2 THR 52 HG22 THR 52 62.507 7.028 2.447 413 2HG2 THR 52 HG21 THR 52 63.311 7.759 3.836 414 3HG2 THR 52 HG23 THR 52 63.845 6.190 3.233 415 H GLU 53 HN GLU 53 62.495 3.198 4.222 416 HA GLU 53 HA GLU 53 64.273 2.941 2.026 417 1HB GLU 53 HB2 GLU 53 64.781 1.926 4.157 418 2HB GLU 53 HB1 GLU 53 63.326 0.940 4.056 419 1HG GLU 53 HG2 GLU 53 65.499 -0.236 3.420 420 2HG GLU 53 HG1 GLU 53 64.191 -0.341 2.242 421 H CYS 54 HN CYS 54 61.495 0.849 2.842 422 HA CYS 54 HA CYS 54 61.481 -0.655 0.458 423 1HB CYS 54 HB2 CYS 54 59.462 0.031 2.538 424 2HB CYS 54 HB1 CYS 54 58.880 -0.675 1.028 425 H CYS 55 HN CYS 55 60.296 2.547 1.111 426 HA CYS 55 HA CYS 55 58.750 2.707 -1.354 427 1HB CYS 55 HB2 CYS 55 57.794 4.138 0.167 428 2HB CYS 55 HB1 CYS 55 59.303 4.417 1.007 429 H VAL 56 HN VAL 56 62.004 3.417 -0.306 430 HA VAL 56 HA VAL 56 62.613 5.044 -2.662 431 HB VAL 56 HB VAL 56 64.479 3.665 -0.698 432 1HG1 VAL 56 HG12 VAL 56 64.844 5.601 -2.952 433 2HG1 VAL 56 HG11 VAL 56 65.911 5.714 -1.551 434 3HG1 VAL 56 HG13 VAL 56 65.838 4.221 -2.487 435 1HG2 VAL 56 HG21 VAL 56 62.680 5.805 -0.269 436 2HG2 VAL 56 HG23 VAL 56 63.985 5.279 0.793 437 3HG2 VAL 56 HG22 VAL 56 64.279 6.534 -0.410 438 H VAL 57 HN VAL 57 63.391 1.749 -1.569 439 HA VAL 57 HA VAL 57 64.742 0.971 -3.951 440 HB VAL 57 HB VAL 57 64.276 -1.322 -3.186 441 1HG1 VAL 57 HG13 VAL 57 65.266 0.794 -1.362 442 2HG1 VAL 57 HG12 VAL 57 64.887 -0.748 -0.595 443 3HG1 VAL 57 HG11 VAL 57 66.065 -0.682 -1.905 444 1HG2 VAL 57 HG22 VAL 57 62.413 0.073 -1.245 445 2HG2 VAL 57 HG21 VAL 57 61.956 -1.071 -2.507 446 3HG2 VAL 57 HG23 VAL 57 62.884 -1.621 -1.112 447 H ALA 58 HN ALA 58 61.419 0.871 -2.786 448 HA ALA 58 HA ALA 58 60.254 -0.304 -5.118 449 1HB ALA 58 HB3 ALA 58 59.174 1.587 -3.009 450 2HB ALA 58 HB2 ALA 58 58.169 0.906 -4.288 451 3HB ALA 58 HB1 ALA 58 58.925 -0.157 -3.100 452 H SER 59 HN SER 59 61.375 2.825 -4.198 453 HA SER 59 HA SER 59 60.109 4.436 -6.168 454 1HB SER 59 HB2 SER 59 61.534 5.081 -4.097 455 2HB SER 59 HB1 SER 59 62.883 5.000 -5.222 456 HG SER 59 HG SER 59 60.562 6.379 -5.964 457 H GLN 60 HN GLN 60 63.159 2.656 -6.155 458 HA GLN 60 HA GLN 60 63.923 3.489 -8.837 459 1HB GLN 60 HB2 GLN 60 65.108 2.112 -6.633 460 2HB GLN 60 HB1 GLN 60 65.221 1.081 -8.062 461 1HG GLN 60 HG2 GLN 60 66.468 2.662 -9.261 462 2HG GLN 60 HG1 GLN 60 65.889 4.002 -8.267 463 1HE2 GLN 60 HE22 GLN 60 68.227 3.314 -5.593 464 2HE2 GLN 60 HE21 GLN 60 66.651 3.882 -5.868 465 H LEU 61 HN LEU 61 62.128 0.882 -7.402 466 HA LEU 61 HA LEU 61 62.245 -0.908 -9.661 467 1HB LEU 61 HB2 LEU 61 60.408 -0.625 -7.282 468 2HB LEU 61 HB1 LEU 61 60.195 -1.892 -8.480 469 HG LEU 61 HG LEU 61 62.504 -1.455 -6.623 470 1HD1 LEU 61 HD13 LEU 61 60.209 -3.168 -6.707 471 2HD1 LEU 61 HD12 LEU 61 61.660 -4.161 -6.851 472 3HD1 LEU 61 HD11 LEU 61 61.463 -3.080 -5.470 473 1HD2 LEU 61 HD21 LEU 61 62.428 -2.761 -9.290 474 2HD2 LEU 61 HD23 LEU 61 63.793 -2.051 -8.428 475 3HD2 LEU 61 HD22 LEU 61 63.230 -3.669 -8.008 476 H ARG 62 HN ARG 62 60.182 1.740 -8.615 477 HA ARG 62 HA ARG 62 58.485 1.346 -11.003 478 1HB ARG 62 HB2 ARG 62 56.905 2.855 -9.979 479 2HB ARG 62 HB1 ARG 62 57.413 1.692 -8.754 480 1HG ARG 62 HG2 ARG 62 58.856 3.264 -7.710 481 2HG ARG 62 HG1 ARG 62 58.780 4.366 -9.083 482 1HD ARG 62 HD2 ARG 62 57.270 5.399 -7.660 483 2HD ARG 62 HD1 ARG 62 56.180 4.325 -8.536 484 HE ARG 62 HE ARG 62 57.328 3.572 -5.875 485 1HH1 ARG 62 HH12 ARG 62 55.998 1.390 -5.977 486 2HH1 ARG 62 HH11 ARG 62 54.293 1.686 -5.932 487 1HH2 ARG 62 HH21 ARG 62 54.589 5.042 -6.750 488 2HH2 ARG 62 HH22 ARG 62 53.495 3.756 -6.367 489 H ALA 63 HN ALA 63 61.194 3.188 -10.047 490 HA ALA 63 HA ALA 63 60.479 5.408 -11.894 491 1HB ALA 63 HB3 ALA 63 62.673 5.054 -9.840 492 2HB ALA 63 HB2 ALA 63 62.647 6.399 -10.981 493 3HB ALA 63 HB1 ALA 63 61.342 6.210 -9.810 494 H ASN 64 HN ASN 64 60.828 3.190 -13.372 495 HA ASN 64 HA ASN 64 63.007 3.820 -15.091 496 1HB ASN 64 HB2 ASN 64 64.348 2.926 -13.185 497 2HB ASN 64 HB1 ASN 64 63.503 1.386 -13.351 498 1HD2 ASN 64 HD22 ASN 64 66.706 1.350 -15.372 499 2HD2 ASN 64 HD21 ASN 64 66.378 1.720 -13.748 500 H ILE 65 HN ILE 65 60.764 1.376 -13.890 501 HA ILE 65 HA ILE 65 60.602 0.280 -16.668 502 HB ILE 65 HB ILE 65 59.424 -1.174 -14.332 503 1HG1 ILE 65 HG12 ILE 65 61.634 -0.527 -13.496 504 2HG1 ILE 65 HG11 ILE 65 61.645 -2.240 -13.917 505 1HG2 ILE 65 HG22 ILE 65 60.059 -1.663 -17.091 506 2HG2 ILE 65 HG21 ILE 65 60.978 -2.785 -16.088 507 3HG2 ILE 65 HG23 ILE 65 59.221 -2.720 -15.955 508 1HD1 ILE 65 HD11 ILE 65 62.339 -0.511 -16.178 509 2HD1 ILE 65 HD13 ILE 65 63.461 -0.355 -14.826 510 3HD1 ILE 65 HD12 ILE 65 63.174 -1.935 -15.557 511 H SER 66 HN SER 66 58.141 -0.969 -16.503 512 HA SER 66 HA SER 66 56.055 0.686 -15.418 513 1HB SER 66 HB2 SER 66 57.231 1.675 -17.790 514 2HB SER 66 HB1 SER 66 55.694 0.963 -18.271 515 HG SER 66 HG SER 66 54.970 2.177 -16.229 516 H HIS 67 HN HIS 67 56.850 -2.144 -15.784 517 HA HIS 67 HA HIS 67 54.261 -3.111 -16.854 518 1HB HIS 67 HB2 HIS 67 56.468 -3.209 -18.461 519 2HB HIS 67 HB1 HIS 67 56.576 -4.767 -17.645 520 HD1 HIS 67 HD1 HIS 67 55.678 -6.340 -19.405 521 HD2 HIS 67 HD2 HIS 67 53.193 -3.044 -18.826 522 HE1 HIS 67 HE1 HIS 67 53.581 -6.777 -20.757 523 H LYS 68 HN LYS 68 55.456 -5.905 -16.707 524 HA LYS 68 HA LYS 68 54.585 -6.813 -14.285 525 1HB LYS 68 HB2 LYS 68 56.900 -7.646 -15.991 526 2HB LYS 68 HB1 LYS 68 56.723 -8.390 -14.402 527 1HG LYS 68 HG2 LYS 68 54.403 -9.035 -14.966 528 2HG LYS 68 HG1 LYS 68 54.598 -8.314 -16.564 529 1HD LYS 68 HD2 LYS 68 56.409 -9.879 -17.082 530 2HD LYS 68 HD1 LYS 68 56.302 -10.568 -15.462 531 1HE LYS 68 HE2 LYS 68 53.748 -10.886 -16.163 532 2HE LYS 68 HE1 LYS 68 54.447 -10.883 -17.782 533 1HZ LYS 68 HZ1 LYS 68 55.759 -12.512 -15.743 534 2HZ LYS 68 HZ3 LYS 68 54.276 -13.070 -16.348 535 3HZ LYS 68 HZ2 LYS 68 55.576 -12.796 -17.408 536 H ASP 69 HN ASP 69 57.889 -5.576 -14.800 537 HA ASP 69 HA ASP 69 58.722 -5.741 -12.100 538 1HB ASP 69 HB2 ASP 69 59.835 -4.872 -14.543 539 2HB ASP 69 HB1 ASP 69 59.900 -3.476 -13.466 540 H MET 70 HN MET 70 57.660 -2.871 -13.965 541 HA MET 70 HA MET 70 57.356 -1.230 -11.607 542 1HB MET 70 HB2 MET 70 57.699 -0.453 -14.024 543 2HB MET 70 HB1 MET 70 55.985 -0.786 -14.266 544 1HG MET 70 HG2 MET 70 56.954 0.956 -12.002 545 2HG MET 70 HG1 MET 70 56.626 1.618 -13.602 546 1HE MET 70 HE1 MET 70 55.192 3.152 -12.998 547 2HE MET 70 HE3 MET 70 54.029 2.518 -14.170 548 3HE MET 70 HE2 MET 70 53.493 2.991 -12.560 549 H GLN 71 HN GLN 71 54.732 -2.122 -13.875 550 HA GLN 71 HA GLN 71 52.538 -1.628 -12.321 551 1HB GLN 71 HB2 GLN 71 52.566 -2.665 -14.638 552 2HB GLN 71 HB1 GLN 71 52.818 -4.224 -13.853 553 1HG GLN 71 HG2 GLN 71 50.679 -4.319 -13.051 554 2HG GLN 71 HG1 GLN 71 50.598 -2.579 -12.772 555 1HE2 GLN 71 HE22 GLN 71 50.198 -3.456 -16.745 556 2HE2 GLN 71 HE21 GLN 71 51.571 -3.972 -15.892 557 H LEU 72 HN LEU 72 54.722 -4.417 -11.942 558 HA LEU 72 HA LEU 72 53.166 -5.176 -9.495 559 1HB LEU 72 HB2 LEU 72 54.317 -6.705 -11.660 560 2HB LEU 72 HB1 LEU 72 54.999 -7.225 -10.120 561 HG LEU 72 HG LEU 72 52.723 -7.491 -9.220 562 1HD1 LEU 72 HD11 LEU 72 51.746 -5.666 -10.598 563 2HD1 LEU 72 HD13 LEU 72 51.879 -6.700 -12.019 564 3HD1 LEU 72 HD12 LEU 72 50.802 -7.152 -10.698 565 1HD2 LEU 72 HD23 LEU 72 53.871 -9.012 -11.379 566 2HD2 LEU 72 HD22 LEU 72 52.856 -9.586 -10.056 567 3HD2 LEU 72 HD21 LEU 72 52.115 -9.012 -11.550 568 H GLY 73 HN GLY 73 56.520 -5.832 -10.421 569 1HA GLY 73 HA2 GLY 73 57.736 -5.742 -7.976 570 2HA GLY 73 HA1 GLY 73 58.533 -5.137 -9.429 571 H ARG 74 HN ARG 74 56.453 -3.025 -9.772 572 HA ARG 74 HA ARG 74 56.179 -0.769 -9.156 573 1HB ARG 74 HB2 ARG 74 56.768 -1.823 -6.371 574 2HB ARG 74 HB1 ARG 74 55.987 -0.292 -6.766 575 1HG ARG 74 HG2 ARG 74 54.514 -2.217 -8.168 576 2HG ARG 74 HG1 ARG 74 54.824 -2.953 -6.593 577 1HD ARG 74 HD2 ARG 74 53.765 -1.188 -5.431 578 2HD ARG 74 HD1 ARG 74 53.860 -0.101 -6.817 579 HE ARG 74 HE ARG 74 52.261 -2.127 -7.757 580 1HH1 ARG 74 HH12 ARG 74 51.322 -2.856 -5.109 581 2HH1 ARG 74 HH11 ARG 74 50.035 -1.738 -4.802 582 1HH2 ARG 74 HH21 ARG 74 51.010 0.476 -7.286 583 2HH2 ARG 74 HH22 ARG 74 49.859 0.149 -6.034 No H/Q in entry = 583 Start of MODEL 2 1 H MET 1 HN MET 1 56.190 -10.185 -10.686 2 HA MET 1 HA MET 1 56.198 -10.604 -7.813 3 1HB MET 1 HB2 MET 1 58.011 -9.178 -9.732 4 2HB MET 1 HB1 MET 1 58.220 -9.023 -7.987 5 1HG MET 1 HG2 MET 1 59.619 -10.852 -8.836 6 2HG MET 1 HG1 MET 1 58.347 -11.493 -7.797 7 1HE MET 1 HE2 MET 1 59.376 -13.437 -8.764 8 2HE MET 1 HE1 MET 1 57.771 -14.136 -8.960 9 3HE MET 1 HE3 MET 1 58.943 -14.215 -10.283 10 H LEU 2 HN LEU 2 53.968 -9.376 -7.765 11 HA LEU 2 HA LEU 2 54.081 -6.488 -7.874 12 1HB LEU 2 HB2 LEU 2 51.993 -7.996 -7.995 13 2HB LEU 2 HB1 LEU 2 52.126 -8.103 -6.240 14 HG LEU 2 HG LEU 2 52.318 -5.463 -6.431 15 1HD1 LEU 2 HD12 LEU 2 51.358 -6.372 -9.081 16 2HD1 LEU 2 HD11 LEU 2 50.430 -5.061 -8.352 17 3HD1 LEU 2 HD13 LEU 2 52.161 -4.868 -8.630 18 1HD2 LEU 2 HD21 LEU 2 50.494 -7.005 -5.397 19 2HD2 LEU 2 HD23 LEU 2 50.046 -5.349 -5.810 20 3HD2 LEU 2 HD22 LEU 2 49.594 -6.677 -6.879 21 H GLN 3 HN GLN 3 55.787 -8.438 -5.942 22 HA GLN 3 HA GLN 3 56.433 -6.494 -3.991 23 1HB GLN 3 HB2 GLN 3 55.267 -7.261 -2.021 24 2HB GLN 3 HB1 GLN 3 54.054 -6.999 -3.273 25 1HG GLN 3 HG2 GLN 3 55.038 -9.673 -3.529 26 2HG GLN 3 HG1 GLN 3 54.594 -9.403 -1.844 27 1HE2 GLN 3 HE22 GLN 3 51.689 -9.810 -4.607 28 2HE2 GLN 3 HE21 GLN 3 53.328 -10.072 -4.965 29 H LYS 4 HN LYS 4 58.160 -7.952 -5.317 30 HA LYS 4 HA LYS 4 58.778 -10.420 -3.802 31 1HB LYS 4 HB2 LYS 4 58.895 -10.005 -6.439 32 2HB LYS 4 HB1 LYS 4 60.518 -9.451 -6.025 33 1HG LYS 4 HG2 LYS 4 59.462 -12.072 -4.973 34 2HG LYS 4 HG1 LYS 4 60.202 -11.966 -6.571 35 1HD LYS 4 HD2 LYS 4 62.130 -12.344 -5.404 36 2HD LYS 4 HD1 LYS 4 62.039 -10.608 -5.106 37 1HE LYS 4 HE2 LYS 4 62.229 -11.337 -2.926 38 2HE LYS 4 HE1 LYS 4 60.475 -11.421 -3.092 39 1HZ LYS 4 HZ2 LYS 4 61.984 -13.755 -3.961 40 2HZ LYS 4 HZ1 LYS 4 61.939 -13.465 -2.287 41 3HZ LYS 4 HZ3 LYS 4 60.493 -13.662 -3.152 42 H LYS 5 HN LYS 5 60.601 -7.530 -4.917 43 HA LYS 5 HA LYS 5 62.708 -8.036 -3.010 44 1HB LYS 5 HB2 LYS 5 63.822 -6.510 -4.266 45 2HB LYS 5 HB1 LYS 5 62.417 -6.537 -5.325 46 1HG LYS 5 HG2 LYS 5 61.469 -4.618 -4.295 47 2HG LYS 5 HG1 LYS 5 62.587 -4.702 -2.945 48 1HD LYS 5 HD2 LYS 5 63.506 -4.278 -5.790 49 2HD LYS 5 HD1 LYS 5 63.151 -2.944 -4.691 50 1HE LYS 5 HE2 LYS 5 64.860 -3.653 -3.152 51 2HE LYS 5 HE1 LYS 5 65.096 -5.168 -4.024 52 1HZ LYS 5 HZ2 LYS 5 65.403 -3.105 -5.859 53 2HZ LYS 5 HZ1 LYS 5 66.303 -2.667 -4.485 54 3HZ LYS 5 HZ3 LYS 5 66.602 -4.148 -5.256 55 H ILE 6 HN ILE 6 59.631 -6.644 -2.841 56 HA ILE 6 HA ILE 6 60.315 -4.931 -0.526 57 HB ILE 6 HB ILE 6 57.606 -5.355 -1.790 58 1HG1 ILE 6 HG12 ILE 6 59.572 -4.700 -3.374 59 2HG1 ILE 6 HG11 ILE 6 58.104 -3.711 -3.409 60 1HG2 ILE 6 HG21 ILE 6 58.860 -3.388 0.093 61 2HG2 ILE 6 HG23 ILE 6 57.589 -2.828 -0.992 62 3HG2 ILE 6 HG22 ILE 6 57.259 -4.127 0.154 63 1HD1 ILE 6 HD12 ILE 6 60.567 -3.071 -1.760 64 2HD1 ILE 6 HD11 ILE 6 60.189 -2.341 -3.320 65 3HD1 ILE 6 HD13 ILE 6 59.132 -2.060 -1.937 66 H GLU 7 HN GLU 7 58.576 -7.908 -1.325 67 HA GLU 7 HA GLU 7 57.458 -8.192 1.356 68 1HB GLU 7 HB2 GLU 7 56.661 -10.321 0.623 69 2HB GLU 7 HB1 GLU 7 56.535 -9.268 -0.785 70 1HG GLU 7 HG2 GLU 7 57.628 -11.020 -1.792 71 2HG GLU 7 HG1 GLU 7 59.043 -10.177 -1.159 72 H GLU 8 HN GLU 8 60.446 -8.867 -0.225 73 HA GLU 8 HA GLU 8 61.375 -10.912 1.600 74 1HB GLU 8 HB2 GLU 8 63.530 -10.599 0.539 75 2HB GLU 8 HB1 GLU 8 62.293 -10.509 -0.716 76 1HG GLU 8 HG2 GLU 8 62.351 -8.045 -0.627 77 2HG GLU 8 HG1 GLU 8 63.563 -8.127 0.665 78 H ILE 9 HN ILE 9 61.929 -7.385 1.337 79 HA ILE 9 HA ILE 9 63.549 -7.312 3.738 80 HB ILE 9 HB ILE 9 63.472 -5.618 1.749 81 1HG1 ILE 9 HG12 ILE 9 64.943 -5.314 3.646 82 2HG1 ILE 9 HG11 ILE 9 64.142 -3.774 3.332 83 1HG2 ILE 9 HG22 ILE 9 61.258 -4.568 3.537 84 2HG2 ILE 9 HG21 ILE 9 62.012 -3.665 2.224 85 3HG2 ILE 9 HG23 ILE 9 61.077 -5.118 1.872 86 1HD1 ILE 9 HD13 ILE 9 62.361 -4.686 5.043 87 2HD1 ILE 9 HD12 ILE 9 63.688 -5.723 5.568 88 3HD1 ILE 9 HD11 ILE 9 63.859 -3.968 5.635 89 H ALA 10 HN ALA 10 60.163 -6.803 2.947 90 HA ALA 10 HA ALA 10 59.302 -5.781 5.467 91 1HB ALA 10 HB3 ALA 10 58.097 -6.636 3.052 92 2HB ALA 10 HB2 ALA 10 57.355 -7.578 4.343 93 3HB ALA 10 HB1 ALA 10 57.317 -5.817 4.403 94 H ALA 11 HN ALA 11 59.619 -9.079 4.203 95 HA ALA 11 HA ALA 11 58.732 -10.345 6.650 96 1HB ALA 11 HB1 ALA 11 59.497 -11.162 4.008 97 2HB ALA 11 HB3 ALA 11 60.416 -12.104 5.181 98 3HB ALA 11 HB2 ALA 11 58.653 -12.096 5.242 99 H LYS 12 HN LYS 12 61.835 -9.201 5.408 100 HA LYS 12 HA LYS 12 63.240 -10.627 7.589 101 1HB LYS 12 HB2 LYS 12 65.240 -10.096 6.538 102 2HB LYS 12 HB1 LYS 12 64.146 -10.121 5.160 103 1HG LYS 12 HG2 LYS 12 64.881 -8.040 4.707 104 2HG LYS 12 HG1 LYS 12 63.949 -7.507 6.106 105 1HD LYS 12 HD2 LYS 12 66.126 -6.699 6.544 106 2HD LYS 12 HD1 LYS 12 66.047 -8.188 7.484 107 1HE LYS 12 HE2 LYS 12 66.920 -8.644 4.729 108 2HE LYS 12 HE1 LYS 12 68.000 -7.570 5.620 109 1HZ LYS 12 HZ3 LYS 12 67.323 -9.601 7.363 110 2HZ LYS 12 HZ2 LYS 12 67.654 -10.367 5.882 111 3HZ LYS 12 HZ1 LYS 12 68.819 -9.361 6.601 112 H TYR 13 HN TYR 13 61.296 -8.859 8.523 113 HA TYR 13 HA TYR 13 62.890 -6.560 9.548 114 1HB TYR 13 HB2 TYR 13 59.984 -7.047 9.093 115 2HB TYR 13 HB1 TYR 13 60.429 -5.983 10.423 116 HD1 TYR 13 HD1 TYR 13 62.911 -4.720 9.343 117 HD2 TYR 13 HD2 TYR 13 59.155 -5.590 7.450 118 HE1 TYR 13 HE1 TYR 13 63.303 -2.888 7.722 119 HE2 TYR 13 HE2 TYR 13 59.551 -3.761 5.832 120 HH TYR 13 HH TYR 13 61.023 -1.495 5.940 121 H LYS 14 HN LYS 14 63.638 -6.688 11.592 122 HA LYS 14 HA LYS 14 62.775 -8.902 13.335 123 1HB LYS 14 HB2 LYS 14 64.593 -8.208 14.781 124 2HB LYS 14 HB1 LYS 14 65.186 -8.160 13.123 125 1HG LYS 14 HG2 LYS 14 65.645 -5.971 13.312 126 2HG LYS 14 HG1 LYS 14 63.968 -5.636 13.741 127 1HD LYS 14 HD2 LYS 14 64.687 -5.120 15.813 128 2HD LYS 14 HD1 LYS 14 65.079 -6.826 16.029 129 1HE LYS 14 HE2 LYS 14 67.318 -6.416 15.031 130 2HE LYS 14 HE1 LYS 14 66.926 -4.701 14.902 131 1HZ LYS 14 HZ2 LYS 14 66.571 -5.971 17.508 132 2HZ LYS 14 HZ1 LYS 14 68.166 -5.699 16.989 133 3HZ LYS 14 HZ3 LYS 14 67.087 -4.398 17.128 134 H HIS 15 HN HIS 15 60.548 -7.523 13.097 135 HA HIS 15 HA HIS 15 60.060 -6.419 15.713 136 1HB HIS 15 HB2 HIS 15 61.028 -4.657 13.671 137 2HB HIS 15 HB1 HIS 15 59.352 -4.227 14.013 138 HD1 HIS 15 HD1 HIS 15 62.773 -4.372 15.527 139 HD2 HIS 15 HD2 HIS 15 58.913 -3.312 16.706 140 HE1 HIS 15 HE1 HIS 15 63.003 -3.180 17.751 141 H SER 16 HN SER 16 57.898 -6.670 16.119 142 HA SER 16 HA SER 16 56.208 -7.755 13.987 143 1HB SER 16 HB2 SER 16 56.208 -8.598 16.375 144 2HB SER 16 HB1 SER 16 55.412 -7.096 16.834 145 HG SER 16 HG SER 16 53.755 -7.639 15.335 146 H VAL 17 HN VAL 17 56.537 -5.467 12.927 147 HA VAL 17 HA VAL 17 54.030 -4.165 12.838 148 HB VAL 17 HB VAL 17 54.902 -3.424 15.144 149 1HG1 VAL 17 HG13 VAL 17 57.242 -2.998 14.140 150 2HG1 VAL 17 HG12 VAL 17 56.554 -1.507 13.498 151 3HG1 VAL 17 HG11 VAL 17 56.603 -1.776 15.239 152 1HG2 VAL 17 HG22 VAL 17 53.448 -2.105 13.108 153 2HG2 VAL 17 HG21 VAL 17 53.380 -1.796 14.843 154 3HG2 VAL 17 HG23 VAL 17 54.502 -0.889 13.829 155 H VAL 18 HN VAL 18 57.493 -4.037 12.286 156 HA VAL 18 HA VAL 18 57.638 -1.851 10.487 157 HB VAL 18 HB VAL 18 59.232 -4.409 10.219 158 1HG1 VAL 18 HG13 VAL 18 59.811 -1.488 9.722 159 2HG1 VAL 18 HG12 VAL 18 61.022 -2.768 9.633 160 3HG1 VAL 18 HG11 VAL 18 59.663 -2.757 8.507 161 1HG2 VAL 18 HG23 VAL 18 58.928 -2.962 12.586 162 2HG2 VAL 18 HG22 VAL 18 60.250 -4.056 12.187 163 3HG2 VAL 18 HG21 VAL 18 60.417 -2.331 11.882 164 H LYS 19 HN LYS 19 56.247 -5.000 10.079 165 HA LYS 19 HA LYS 19 56.474 -5.367 7.300 166 1HB LYS 19 HB2 LYS 19 54.476 -6.182 9.373 167 2HB LYS 19 HB1 LYS 19 54.048 -6.400 7.675 168 1HG LYS 19 HG2 LYS 19 55.213 -8.334 7.771 169 2HG LYS 19 HG1 LYS 19 56.663 -7.331 7.807 170 1HD LYS 19 HD2 LYS 19 56.931 -8.651 9.722 171 2HD LYS 19 HD1 LYS 19 56.192 -7.189 10.377 172 1HE LYS 19 HE2 LYS 19 54.963 -9.007 11.318 173 2HE LYS 19 HE1 LYS 19 53.937 -8.348 10.044 174 1HZ LYS 19 HZ1 LYS 19 55.823 -10.541 9.473 175 2HZ LYS 19 HZ3 LYS 19 54.302 -10.870 10.148 176 3HZ LYS 19 HZ2 LYS 19 54.411 -10.101 8.637 177 H LYS 20 HN LYS 20 53.769 -3.783 9.057 178 HA LYS 20 HA LYS 20 52.411 -2.871 6.743 179 1HB LYS 20 HB2 LYS 20 51.010 -1.814 8.209 180 2HB LYS 20 HB1 LYS 20 51.893 -2.749 9.410 181 1HG LYS 20 HG2 LYS 20 53.394 -0.861 9.828 182 2HG LYS 20 HG1 LYS 20 52.610 0.080 8.553 183 1HD LYS 20 HD2 LYS 20 51.525 0.872 10.468 184 2HD LYS 20 HD1 LYS 20 50.424 -0.399 9.933 185 1HE LYS 20 HE2 LYS 20 50.762 -1.579 11.820 186 2HE LYS 20 HE1 LYS 20 52.511 -1.502 11.611 187 1HZ LYS 20 HZ3 LYS 20 51.184 0.939 12.483 188 2HZ LYS 20 HZ2 LYS 20 51.259 -0.328 13.613 189 3HZ LYS 20 HZ1 LYS 20 52.688 0.298 12.939 190 H CYS 21 HN CYS 21 54.867 -1.247 8.731 191 HA CYS 21 HA CYS 21 54.996 1.237 7.495 192 1HB CYS 21 HB2 CYS 21 57.219 -0.519 8.559 193 2HB CYS 21 HB1 CYS 21 57.470 1.150 8.058 194 H CYS 22 HN CYS 22 56.815 -1.670 6.485 195 HA CYS 22 HA CYS 22 57.848 -0.421 4.094 196 1HB CYS 22 HB2 CYS 22 59.097 -2.265 4.860 197 2HB CYS 22 HB1 CYS 22 57.663 -3.254 5.116 198 H TYR 23 HN TYR 23 54.891 -2.035 4.956 199 HA TYR 23 HA TYR 23 53.995 -2.807 2.377 200 1HB TYR 23 HB2 TYR 23 52.923 -2.744 4.965 201 2HB TYR 23 HB1 TYR 23 51.830 -1.774 3.992 202 HD1 TYR 23 HD2 TYR 23 51.342 -2.787 1.561 203 HD2 TYR 23 HD1 TYR 23 52.578 -4.995 5.019 204 HE1 TYR 23 HE2 TYR 23 50.398 -4.859 0.570 205 HE2 TYR 23 HE1 TYR 23 51.648 -7.034 4.041 206 HH TYR 23 HH TYR 23 51.066 -7.584 1.054 207 H ASP 24 HN ASP 24 53.247 0.177 4.208 208 HA ASP 24 HA ASP 24 52.028 1.517 1.987 209 1HB ASP 24 HB2 ASP 24 53.426 2.849 4.321 210 2HB ASP 24 HB1 ASP 24 52.095 3.488 3.355 211 H GLY 25 HN GLY 25 55.335 1.550 3.321 212 1HA GLY 25 HA2 GLY 25 56.564 3.498 1.790 213 2HA GLY 25 HA1 GLY 25 57.353 1.959 2.151 214 H ALA 26 HN ALA 26 56.113 0.101 0.732 215 HA ALA 26 HA ALA 26 56.868 0.630 -1.993 216 1HB ALA 26 HB1 ALA 26 56.199 -1.633 -0.478 217 2HB ALA 26 HB3 ALA 26 54.954 -1.542 -1.723 218 3HB ALA 26 HB2 ALA 26 56.656 -1.609 -2.181 219 H CYS 27 HN CYS 27 53.807 0.777 -0.235 220 HA CYS 27 HA CYS 27 52.329 1.356 -2.734 221 1HB CYS 27 HB2 CYS 27 51.241 1.422 0.087 222 2HB CYS 27 HB1 CYS 27 50.346 1.199 -1.417 223 HG CYS 27 HG CYS 27 51.535 -1.161 -1.663 224 H VAL 28 HN VAL 28 54.409 3.172 -1.323 225 HA VAL 28 HA VAL 28 53.580 5.427 -0.094 226 HB VAL 28 HB VAL 28 55.798 5.483 -0.877 227 1HG1 VAL 28 HG13 VAL 28 54.562 4.466 -3.341 228 2HG1 VAL 28 HG12 VAL 28 55.861 5.623 -3.630 229 3HG1 VAL 28 HG11 VAL 28 56.171 4.168 -2.684 230 1HG2 VAL 28 HG23 VAL 28 54.546 7.695 -1.098 231 2HG2 VAL 28 HG22 VAL 28 56.013 7.559 -2.068 232 3HG2 VAL 28 HG21 VAL 28 54.434 7.361 -2.826 233 H ASN 29 HN ASN 29 52.521 7.419 -0.674 234 HA ASN 29 HA ASN 29 50.339 7.063 -2.594 235 1HB ASN 29 HB2 ASN 29 49.891 8.196 -0.477 236 2HB ASN 29 HB1 ASN 29 51.118 9.410 -0.838 237 1HD2 ASN 29 HD22 ASN 29 47.425 10.082 -2.124 238 2HD2 ASN 29 HD21 ASN 29 47.835 9.022 -0.862 239 H ASN 30 HN ASN 30 52.956 9.489 -2.216 240 HA ASN 30 HA ASN 30 52.535 10.326 -5.020 241 1HB ASN 30 HB2 ASN 30 53.224 11.731 -2.775 242 2HB ASN 30 HB1 ASN 30 54.802 11.475 -3.515 243 1HD2 ASN 30 HD22 ASN 30 54.196 14.162 -5.702 244 2HD2 ASN 30 HD21 ASN 30 55.266 13.384 -4.640 245 H ASP 31 HN ASP 31 55.365 11.062 -5.375 246 HA ASP 31 HA ASP 31 56.413 8.328 -5.977 247 1HB ASP 31 HB2 ASP 31 55.949 10.170 -7.810 248 2HB ASP 31 HB1 ASP 31 57.490 10.823 -7.253 249 H GLU 32 HN GLU 32 57.652 11.604 -5.229 250 HA GLU 32 HA GLU 32 60.129 10.466 -4.151 251 1HB GLU 32 HB2 GLU 32 59.058 13.205 -4.645 252 2HB GLU 32 HB1 GLU 32 60.300 13.024 -3.402 253 1HG GLU 32 HG2 GLU 32 61.483 13.431 -5.439 254 2HG GLU 32 HG1 GLU 32 61.638 11.699 -5.136 255 H THR 33 HN THR 33 58.767 13.116 -2.354 256 HA THR 33 HA THR 33 59.142 11.969 0.175 257 HB THR 33 HB THR 33 57.178 13.626 0.795 258 HG1 THR 33 HG1 THR 33 57.896 14.754 -1.659 259 1HG2 THR 33 HG23 THR 33 59.972 13.879 0.323 260 2HG2 THR 33 HG22 THR 33 59.200 15.345 -0.282 261 3HG2 THR 33 HG21 THR 33 58.963 14.851 1.394 262 H CYS 34 HN CYS 34 58.396 9.794 0.069 263 HA CYS 34 HA CYS 34 55.748 9.013 -0.613 264 1HB CYS 34 HB2 CYS 34 57.562 7.711 1.434 265 2HB CYS 34 HB1 CYS 34 56.255 6.934 0.545 266 H GLU 35 HN GLU 35 56.609 8.403 2.739 267 HA GLU 35 HA GLU 35 54.040 9.151 3.714 268 1HB GLU 35 HB2 GLU 35 56.669 8.982 5.208 269 2HB GLU 35 HB1 GLU 35 55.082 9.038 5.965 270 1HG GLU 35 HG2 GLU 35 55.485 6.983 3.858 271 2HG GLU 35 HG1 GLU 35 56.296 6.718 5.402 272 H GLN 36 HN GLN 36 57.069 10.968 3.391 273 HA GLN 36 HA GLN 36 56.429 13.272 4.872 274 1HB GLN 36 HB2 GLN 36 58.198 12.632 2.636 275 2HB GLN 36 HB1 GLN 36 57.541 14.263 2.499 276 1HG GLN 36 HG2 GLN 36 58.526 14.980 4.471 277 2HG GLN 36 HG1 GLN 36 58.573 13.357 5.160 278 1HE2 GLN 36 HE22 GLN 36 61.933 12.983 4.196 279 2HE2 GLN 36 HE21 GLN 36 60.719 12.698 5.349 280 H ARG 37 HN ARG 37 55.408 12.248 1.642 281 HA ARG 37 HA ARG 37 53.767 14.597 1.160 282 1HB ARG 37 HB2 ARG 37 54.565 13.179 -0.708 283 2HB ARG 37 HB1 ARG 37 53.628 11.823 -0.076 284 1HG ARG 37 HG2 ARG 37 52.112 12.662 -1.612 285 2HG ARG 37 HG1 ARG 37 51.646 13.595 -0.190 286 1HD ARG 37 HD2 ARG 37 53.818 14.696 -1.923 287 2HD ARG 37 HD1 ARG 37 52.161 14.788 -2.522 288 HE ARG 37 HE ARG 37 51.791 15.826 -0.085 289 1HH1 ARG 37 HH12 ARG 37 54.783 16.158 0.207 290 2HH1 ARG 37 HH11 ARG 37 55.008 17.784 -0.347 291 1HH2 ARG 37 HH21 ARG 37 51.905 17.972 -1.884 292 2HH2 ARG 37 HH22 ARG 37 53.380 18.809 -1.533 293 H ALA 38 HN ALA 38 53.311 11.363 2.541 294 HA ALA 38 HA ALA 38 50.557 11.158 2.802 295 1HB ALA 38 HB3 ALA 38 52.254 9.559 3.782 296 2HB ALA 38 HB2 ALA 38 52.489 10.705 5.101 297 3HB ALA 38 HB1 ALA 38 50.922 9.933 4.872 298 H ALA 39 HN ALA 39 52.610 12.698 5.244 299 HA ALA 39 HA ALA 39 51.213 15.155 5.401 300 1HB ALA 39 HB1 ALA 39 50.187 12.995 7.269 301 2HB ALA 39 HB3 ALA 39 49.951 14.717 7.570 302 3HB ALA 39 HB2 ALA 39 49.245 13.968 6.138 303 H ARG 40 HN ARG 40 52.613 12.577 7.330 304 HA ARG 40 HA ARG 40 55.013 13.928 7.996 305 1HB ARG 40 HB2 ARG 40 52.712 14.680 9.629 306 2HB ARG 40 HB1 ARG 40 54.008 13.973 10.593 307 1HG ARG 40 HG2 ARG 40 55.522 15.566 9.101 308 2HG ARG 40 HG1 ARG 40 54.018 16.472 8.950 309 1HD ARG 40 HD2 ARG 40 53.821 16.432 11.457 310 2HD ARG 40 HD1 ARG 40 55.428 15.707 11.521 311 HE ARG 40 HE ARG 40 56.339 17.794 10.618 312 1HH1 ARG 40 HH12 ARG 40 53.471 18.425 9.454 313 2HH1 ARG 40 HH11 ARG 40 53.112 19.854 10.365 314 1HH2 ARG 40 HH21 ARG 40 55.678 19.364 12.645 315 2HH2 ARG 40 HH22 ARG 40 54.363 20.386 12.172 316 H ILE 41 HN ILE 41 56.184 12.035 8.100 317 HA ILE 41 HA ILE 41 55.102 9.520 8.756 318 HB ILE 41 HB ILE 41 57.380 9.852 7.730 319 1HG1 ILE 41 HG12 ILE 41 58.361 7.926 8.995 320 2HG1 ILE 41 HG11 ILE 41 57.089 8.123 10.198 321 1HG2 ILE 41 HG21 ILE 41 57.939 11.560 9.667 322 2HG2 ILE 41 HG23 ILE 41 58.442 10.102 10.524 323 3HG2 ILE 41 HG22 ILE 41 59.209 10.536 8.997 324 1HD1 ILE 41 HD12 ILE 41 56.335 7.905 7.301 325 2HD1 ILE 41 HD11 ILE 41 56.728 6.441 8.201 326 3HD1 ILE 41 HD13 ILE 41 55.398 7.473 8.732 327 H SER 42 HN SER 42 53.777 9.578 10.493 328 HA SER 42 HA SER 42 55.220 9.716 13.047 329 1HB SER 42 HB2 SER 42 53.674 11.120 14.083 330 2HB SER 42 HB1 SER 42 53.838 11.846 12.481 331 HG SER 42 HG SER 42 51.885 11.147 11.959 332 H LEU 43 HN LEU 43 54.779 7.404 11.831 333 HA LEU 43 HA LEU 43 52.469 6.347 13.343 334 1HB LEU 43 HB2 LEU 43 53.612 5.616 10.677 335 2HB LEU 43 HB1 LEU 43 52.924 4.319 11.655 336 HG LEU 43 HG LEU 43 51.370 6.862 11.300 337 1HD1 LEU 43 HD11 LEU 43 52.295 5.555 9.081 338 2HD1 LEU 43 HD13 LEU 43 50.788 4.690 9.383 339 3HD1 LEU 43 HD12 LEU 43 50.769 6.437 9.144 340 1HD2 LEU 43 HD21 LEU 43 50.934 4.550 12.697 341 2HD2 LEU 43 HD23 LEU 43 49.647 5.605 12.113 342 3HD2 LEU 43 HD22 LEU 43 50.117 4.185 11.178 343 H GLY 44 HN GLY 44 55.814 6.533 13.170 344 1HA GLY 44 HA2 GLY 44 56.497 5.227 15.456 345 2HA GLY 44 HA1 GLY 44 56.323 3.870 14.343 346 HA PRO 45 HA PRO 45 60.624 5.870 13.871 347 1HB PRO 45 HB2 PRO 45 62.038 4.071 15.334 348 2HB PRO 45 HB1 PRO 45 61.317 5.523 16.038 349 1HG PRO 45 HG2 PRO 45 60.450 2.702 16.264 350 2HG PRO 45 HG1 PRO 45 60.284 4.033 17.417 351 1HD PRO 45 HD2 PRO 45 58.267 3.048 15.771 352 2HD PRO 45 HD1 PRO 45 58.233 4.592 16.622 353 H ARG 46 HN ARG 46 60.197 2.334 14.343 354 HA ARG 46 HA ARG 46 61.935 1.467 12.321 355 1HB ARG 46 HB2 ARG 46 60.926 -0.622 12.527 356 2HB ARG 46 HB1 ARG 46 60.434 0.131 14.039 357 1HG ARG 46 HG2 ARG 46 58.736 0.153 11.525 358 2HG ARG 46 HG1 ARG 46 58.567 -1.040 12.809 359 1HD ARG 46 HD2 ARG 46 58.540 1.827 13.625 360 2HD ARG 46 HD1 ARG 46 57.125 1.224 12.768 361 HE ARG 46 HE ARG 46 56.556 0.042 14.716 362 1HH1 ARG 46 HH12 ARG 46 59.179 -1.529 14.648 363 2HH1 ARG 46 HH11 ARG 46 59.826 -1.158 16.211 364 1HH2 ARG 46 HH21 ARG 46 57.697 1.527 16.747 365 2HH2 ARG 46 HH22 ARG 46 58.987 0.574 17.400 366 H CYS 47 HN CYS 47 58.834 2.987 12.088 367 HA CYS 47 HA CYS 47 58.174 2.245 9.384 368 1HB CYS 47 HB2 CYS 47 57.081 3.888 11.458 369 2HB CYS 47 HB1 CYS 47 57.174 4.854 9.983 370 H ILE 48 HN ILE 48 59.576 5.267 10.682 371 HA ILE 48 HA ILE 48 59.939 6.762 8.446 372 HB ILE 48 HB ILE 48 62.433 6.343 10.054 373 1HG1 ILE 48 HG12 ILE 48 60.743 6.169 11.785 374 2HG1 ILE 48 HG11 ILE 48 61.415 7.796 11.848 375 1HG2 ILE 48 HG22 ILE 48 60.896 8.666 8.887 376 2HG2 ILE 48 HG21 ILE 48 62.232 8.897 10.014 377 3HG2 ILE 48 HG23 ILE 48 62.514 8.107 8.463 378 1HD1 ILE 48 HD12 ILE 48 59.496 8.542 10.375 379 2HD1 ILE 48 HD11 ILE 48 58.784 6.947 10.616 380 3HD1 ILE 48 HD13 ILE 48 59.027 8.020 11.994 381 H LYS 49 HN LYS 49 62.508 4.422 9.355 382 HA LYS 49 HA LYS 49 63.566 4.507 6.636 383 1HB LYS 49 HB2 LYS 49 64.666 4.023 9.104 384 2HB LYS 49 HB1 LYS 49 64.581 2.402 8.413 385 1HG LYS 49 HG2 LYS 49 66.515 2.952 7.362 386 2HG LYS 49 HG1 LYS 49 65.486 3.893 6.282 387 1HD LYS 49 HD2 LYS 49 66.975 5.536 6.958 388 2HD LYS 49 HD1 LYS 49 65.725 5.722 8.189 389 1HE LYS 49 HE2 LYS 49 66.979 4.383 9.763 390 2HE LYS 49 HE1 LYS 49 68.160 3.950 8.525 391 1HZ LYS 49 HZ1 LYS 49 68.731 6.313 8.341 392 2HZ LYS 49 HZ3 LYS 49 67.656 6.671 9.602 393 3HZ LYS 49 HZ2 LYS 49 69.021 5.706 9.901 394 H ALA 50 HN ALA 50 61.343 2.399 8.349 395 HA ALA 50 HA ALA 50 61.837 0.115 6.654 396 1HB ALA 50 HB1 ALA 50 59.396 0.860 8.299 397 2HB ALA 50 HB3 ALA 50 59.651 -0.706 7.527 398 3HB ALA 50 HB2 ALA 50 60.723 -0.177 8.824 399 H PHE 51 HN PHE 51 59.070 2.328 6.863 400 HA PHE 51 HA PHE 51 58.044 1.659 4.333 401 1HB PHE 51 HB2 PHE 51 56.464 3.266 4.710 402 2HB PHE 51 HB1 PHE 51 57.078 3.154 6.354 403 HD1 PHE 51 HD2 PHE 51 57.562 5.032 3.134 404 HD2 PHE 51 HD1 PHE 51 57.963 5.063 7.394 405 HE1 PHE 51 HE2 PHE 51 58.231 7.420 3.070 406 HE2 PHE 51 HE1 PHE 51 58.630 7.432 7.323 407 HZ PHE 51 HZ PHE 51 58.754 8.617 5.176 408 H THR 52 HN THR 52 60.124 4.397 5.321 409 HA THR 52 HA THR 52 60.330 5.616 2.815 410 HB THR 52 HB THR 52 62.424 5.306 4.979 411 HG1 THR 52 HG1 THR 52 61.741 7.664 5.039 412 1HG2 THR 52 HG23 THR 52 62.422 7.078 2.522 413 2HG2 THR 52 HG22 THR 52 63.563 7.212 3.859 414 3HG2 THR 52 HG21 THR 52 63.545 5.761 2.857 415 H GLU 53 HN GLU 53 62.207 2.917 4.104 416 HA GLU 53 HA GLU 53 63.985 2.580 1.915 417 1HB GLU 53 HB2 GLU 53 64.459 1.582 4.057 418 2HB GLU 53 HB1 GLU 53 62.975 0.642 3.974 419 1HG GLU 53 HG2 GLU 53 65.018 -0.680 3.363 420 2HG GLU 53 HG1 GLU 53 63.804 -0.627 2.085 421 H CYS 54 HN CYS 54 60.865 0.962 2.619 422 HA CYS 54 HA CYS 54 61.026 -0.646 0.207 423 1HB CYS 54 HB2 CYS 54 58.907 -0.114 2.265 424 2HB CYS 54 HB1 CYS 54 58.472 -0.908 0.749 425 H CYS 55 HN CYS 55 59.921 2.549 0.958 426 HA CYS 55 HA CYS 55 58.306 2.743 -1.490 427 1HB CYS 55 HB2 CYS 55 57.432 4.627 -0.556 428 2HB CYS 55 HB1 CYS 55 58.206 4.068 0.919 429 H VAL 56 HN VAL 56 61.555 3.346 -0.430 430 HA VAL 56 HA VAL 56 62.243 5.030 -2.732 431 HB VAL 56 HB VAL 56 64.029 3.535 -0.774 432 1HG1 VAL 56 HG11 VAL 56 64.508 5.356 -3.073 433 2HG1 VAL 56 HG13 VAL 56 65.506 5.609 -1.642 434 3HG1 VAL 56 HG12 VAL 56 65.503 4.041 -2.449 435 1HG2 VAL 56 HG21 VAL 56 62.335 5.702 -0.270 436 2HG2 VAL 56 HG23 VAL 56 63.709 5.199 0.716 437 3HG2 VAL 56 HG22 VAL 56 63.919 6.438 -0.521 438 H VAL 57 HN VAL 57 62.800 1.683 -1.687 439 HA VAL 57 HA VAL 57 64.156 0.894 -4.092 440 HB VAL 57 HB VAL 57 63.605 -1.402 -3.356 441 1HG1 VAL 57 HG12 VAL 57 64.492 0.554 -1.227 442 2HG1 VAL 57 HG11 VAL 57 64.542 -1.191 -0.981 443 3HG1 VAL 57 HG13 VAL 57 65.509 -0.452 -2.258 444 1HG2 VAL 57 HG21 VAL 57 61.877 0.048 -1.332 445 2HG2 VAL 57 HG23 VAL 57 61.323 -1.048 -2.597 446 3HG2 VAL 57 HG22 VAL 57 62.272 -1.669 -1.247 447 H ALA 58 HN ALA 58 60.846 0.877 -2.897 448 HA ALA 58 HA ALA 58 59.615 -0.219 -5.236 449 1HB ALA 58 HB1 ALA 58 58.561 1.755 -3.181 450 2HB ALA 58 HB3 ALA 58 57.564 0.911 -4.367 451 3HB ALA 58 HB2 ALA 58 58.393 0.001 -3.104 452 H SER 59 HN SER 59 60.887 2.844 -4.297 453 HA SER 59 HA SER 59 59.639 4.561 -6.171 454 1HB SER 59 HB2 SER 59 61.250 5.015 -4.170 455 2HB SER 59 HB1 SER 59 62.497 4.943 -5.408 456 HG SER 59 HG SER 59 60.952 6.446 -6.563 457 H GLN 60 HN GLN 60 62.859 3.060 -6.335 458 HA GLN 60 HA GLN 60 63.390 3.718 -9.055 459 1HB GLN 60 HB2 GLN 60 64.587 2.149 -6.942 460 2HB GLN 60 HB1 GLN 60 64.673 1.282 -8.477 461 1HG GLN 60 HG2 GLN 60 65.957 2.942 -9.492 462 2HG GLN 60 HG1 GLN 60 65.348 4.199 -8.411 463 1HE2 GLN 60 HE22 GLN 60 67.536 3.009 -5.681 464 2HE2 GLN 60 HE21 GLN 60 65.889 3.356 -5.895 465 H LEU 61 HN LEU 61 61.688 1.070 -7.535 466 HA LEU 61 HA LEU 61 61.530 -0.624 -9.856 467 1HB LEU 61 HB2 LEU 61 59.943 -0.387 -7.298 468 2HB LEU 61 HB1 LEU 61 59.563 -1.595 -8.514 469 HG LEU 61 HG LEU 61 62.064 -1.314 -6.887 470 1HD1 LEU 61 HD13 LEU 61 60.194 -2.622 -5.935 471 2HD1 LEU 61 HD12 LEU 61 60.165 -3.624 -7.385 472 3HD1 LEU 61 HD11 LEU 61 61.567 -3.663 -6.316 473 1HD2 LEU 61 HD23 LEU 61 61.619 -2.718 -9.509 474 2HD2 LEU 61 HD22 LEU 61 63.005 -1.757 -8.993 475 3HD2 LEU 61 HD21 LEU 61 62.763 -3.377 -8.339 476 H ARG 62 HN ARG 62 59.757 2.115 -8.618 477 HA ARG 62 HA ARG 62 57.734 1.801 -10.751 478 1HB ARG 62 HB2 ARG 62 56.402 3.419 -9.551 479 2HB ARG 62 HB1 ARG 62 56.991 2.230 -8.389 480 1HG ARG 62 HG2 ARG 62 58.650 3.705 -7.557 481 2HG ARG 62 HG1 ARG 62 58.489 4.793 -8.931 482 1HD ARG 62 HD2 ARG 62 57.338 5.867 -7.139 483 2HD ARG 62 HD1 ARG 62 56.080 5.181 -8.165 484 HE ARG 62 HE ARG 62 56.995 3.895 -5.616 485 1HH1 ARG 62 HH21 ARG 62 54.464 5.648 -6.773 486 2HH1 ARG 62 HH22 ARG 62 53.239 4.455 -6.497 487 1HH2 ARG 62 HH12 ARG 62 55.495 1.921 -5.781 488 2HH2 ARG 62 HH11 ARG 62 53.823 2.345 -5.935 489 H ALA 63 HN ALA 63 60.693 3.343 -10.340 490 HA ALA 63 HA ALA 63 59.874 5.713 -11.934 491 1HB ALA 63 HB1 ALA 63 62.203 5.021 -10.204 492 2HB ALA 63 HB3 ALA 63 62.492 6.129 -11.547 493 3HB ALA 63 HB2 ALA 63 61.295 6.529 -10.315 494 H ASN 64 HN ASN 64 63.075 4.326 -12.181 495 HA ASN 64 HA ASN 64 63.252 4.475 -14.967 496 1HB ASN 64 HB2 ASN 64 64.608 2.680 -12.957 497 2HB ASN 64 HB1 ASN 64 64.976 2.559 -14.679 498 1HD2 ASN 64 HD22 ASN 64 67.399 5.010 -13.371 499 2HD2 ASN 64 HD21 ASN 64 67.127 3.338 -13.265 500 H ILE 65 HN ILE 65 62.409 1.564 -13.057 501 HA ILE 65 HA ILE 65 61.821 -0.025 -15.387 502 HB ILE 65 HB ILE 65 60.693 -0.463 -12.614 503 1HG1 ILE 65 HG12 ILE 65 63.446 -1.131 -13.708 504 2HG1 ILE 65 HG11 ILE 65 63.089 -0.037 -12.372 505 1HG2 ILE 65 HG22 ILE 65 61.014 -2.028 -15.109 506 2HG2 ILE 65 HG21 ILE 65 61.425 -2.882 -13.623 507 3HG2 ILE 65 HG23 ILE 65 59.816 -2.190 -13.827 508 1HD1 ILE 65 HD13 ILE 65 61.993 -2.013 -11.203 509 2HD1 ILE 65 HD12 ILE 65 62.697 -3.036 -12.455 510 3HD1 ILE 65 HD11 ILE 65 63.744 -2.114 -11.376 511 H SER 66 HN SER 66 59.487 -1.007 -15.600 512 HA SER 66 HA SER 66 57.203 0.520 -14.832 513 1HB SER 66 HB2 SER 66 58.716 1.822 -16.784 514 2HB SER 66 HB1 SER 66 57.424 1.043 -17.693 515 HG SER 66 HG SER 66 57.248 3.253 -16.370 516 H HIS 67 HN HIS 67 58.063 -2.245 -15.235 517 HA HIS 67 HA HIS 67 55.799 -3.127 -16.949 518 1HB HIS 67 HB2 HIS 67 58.491 -3.281 -17.762 519 2HB HIS 67 HB1 HIS 67 58.055 -4.913 -17.259 520 HD1 HIS 67 HD1 HIS 67 58.412 -4.949 -20.115 521 HD2 HIS 67 HD2 HIS 67 54.849 -3.483 -18.522 522 HE1 HIS 67 HE1 HIS 67 56.692 -5.071 -21.971 523 H LYS 68 HN LYS 68 56.552 -5.930 -16.693 524 HA LYS 68 HA LYS 68 55.259 -6.772 -14.424 525 1HB LYS 68 HB2 LYS 68 57.731 -7.966 -15.705 526 2HB LYS 68 HB1 LYS 68 56.820 -8.785 -14.434 527 1HG LYS 68 HG2 LYS 68 54.750 -8.447 -15.902 528 2HG LYS 68 HG1 LYS 68 55.866 -8.006 -17.195 529 1HD LYS 68 HD2 LYS 68 56.343 -10.169 -17.593 530 2HD LYS 68 HD1 LYS 68 56.763 -10.429 -15.899 531 1HE LYS 68 HE2 LYS 68 54.930 -11.769 -15.859 532 2HE LYS 68 HE1 LYS 68 54.023 -10.258 -15.777 533 1HZ LYS 68 HZ2 LYS 68 53.907 -10.246 -18.195 534 2HZ LYS 68 HZ1 LYS 68 54.752 -11.718 -18.259 535 3HZ LYS 68 HZ3 LYS 68 53.210 -11.658 -17.559 536 H ASP 69 HN ASP 69 58.690 -5.860 -14.580 537 HA ASP 69 HA ASP 69 59.280 -6.342 -11.841 538 1HB ASP 69 HB2 ASP 69 60.558 -4.944 -14.119 539 2HB ASP 69 HB1 ASP 69 60.983 -4.320 -12.524 540 H MET 70 HN MET 70 58.374 -3.382 -13.636 541 HA MET 70 HA MET 70 58.111 -1.840 -11.172 542 1HB MET 70 HB2 MET 70 58.705 -0.774 -13.337 543 2HB MET 70 HB1 MET 70 57.116 -1.206 -13.967 544 1HG MET 70 HG2 MET 70 57.076 0.192 -11.371 545 2HG MET 70 HG1 MET 70 57.671 1.161 -12.719 546 1HE MET 70 HE1 MET 70 56.124 2.601 -12.092 547 2HE MET 70 HE3 MET 70 55.001 2.856 -13.434 548 3HE MET 70 HE2 MET 70 54.394 2.366 -11.856 549 H GLN 71 HN GLN 71 55.611 -2.388 -13.682 550 HA GLN 71 HA GLN 71 53.333 -1.886 -12.255 551 1HB GLN 71 HB2 GLN 71 53.323 -2.702 -14.594 552 2HB GLN 71 HB1 GLN 71 53.715 -4.325 -14.022 553 1HG GLN 71 HG2 GLN 71 51.365 -4.373 -14.263 554 2HG GLN 71 HG1 GLN 71 51.604 -4.095 -12.538 555 1HE2 GLN 71 HE22 GLN 71 49.530 -1.257 -12.774 556 2HE2 GLN 71 HE21 GLN 71 49.873 -2.721 -11.987 557 H LEU 72 HN LEU 72 55.376 -4.772 -11.877 558 HA LEU 72 HA LEU 72 53.597 -5.626 -9.624 559 1HB LEU 72 HB2 LEU 72 54.886 -7.072 -11.746 560 2HB LEU 72 HB1 LEU 72 55.519 -7.635 -10.198 561 HG LEU 72 HG LEU 72 53.197 -7.939 -9.399 562 1HD1 LEU 72 HD12 LEU 72 52.250 -6.138 -10.818 563 2HD1 LEU 72 HD11 LEU 72 52.496 -7.155 -12.238 564 3HD1 LEU 72 HD13 LEU 72 51.355 -7.649 -10.987 565 1HD2 LEU 72 HD21 LEU 72 54.450 -9.388 -11.597 566 2HD2 LEU 72 HD23 LEU 72 53.556 -10.022 -10.214 567 3HD2 LEU 72 HD22 LEU 72 52.691 -9.515 -11.666 568 H GLY 73 HN GLY 73 57.035 -6.176 -10.318 569 1HA GLY 73 HA2 GLY 73 58.070 -6.297 -7.797 570 2HA GLY 73 HA1 GLY 73 58.938 -5.482 -9.097 571 H ARG 74 HN ARG 74 57.302 -3.302 -9.550 572 HA ARG 74 HA ARG 74 57.497 -1.044 -8.730 573 1HB ARG 74 HB2 ARG 74 55.512 -0.632 -7.336 574 2HB ARG 74 HB1 ARG 74 55.139 -1.751 -8.646 575 1HG ARG 74 HG2 ARG 74 54.296 -3.101 -7.038 576 2HG ARG 74 HG1 ARG 74 55.973 -3.443 -6.613 577 1HD ARG 74 HD2 ARG 74 55.666 -2.458 -4.616 578 2HD ARG 74 HD1 ARG 74 55.264 -0.945 -5.427 579 HE ARG 74 HE ARG 74 53.388 -2.415 -4.009 580 1HH1 ARG 74 HH21 ARG 74 53.364 -0.155 -6.370 581 2HH1 ARG 74 HH22 ARG 74 51.893 -0.653 -7.137 582 1HH2 ARG 74 HH12 ARG 74 51.690 -3.644 -5.394 583 2HH2 ARG 74 HH11 ARG 74 50.947 -2.630 -6.586 No H/Q in entry = 583 Start of MODEL 3 1 H MET 1 HN MET 1 54.974 -10.527 -9.981 2 HA MET 1 HA MET 1 55.458 -10.004 -7.629 3 1HB MET 1 HB2 MET 1 57.356 -8.881 -9.637 4 2HB MET 1 HB1 MET 1 57.606 -8.512 -7.931 5 1HG MET 1 HG2 MET 1 58.850 -10.529 -8.461 6 2HG MET 1 HG1 MET 1 57.483 -10.968 -7.438 7 1HE MET 1 HE3 MET 1 57.258 -13.078 -7.715 8 2HE MET 1 HE2 MET 1 56.710 -14.002 -9.111 9 3HE MET 1 HE1 MET 1 58.420 -13.626 -8.931 10 H LEU 2 HN LEU 2 53.378 -8.577 -7.458 11 HA LEU 2 HA LEU 2 53.766 -5.703 -7.583 12 1HB LEU 2 HB2 LEU 2 51.525 -6.964 -7.658 13 2HB LEU 2 HB1 LEU 2 51.703 -7.152 -5.915 14 HG LEU 2 HG LEU 2 52.125 -4.564 -5.949 15 1HD1 LEU 2 HD12 LEU 2 51.089 -5.178 -8.673 16 2HD1 LEU 2 HD11 LEU 2 50.421 -3.759 -7.868 17 3HD1 LEU 2 HD13 LEU 2 52.159 -3.880 -8.144 18 1HD2 LEU 2 HD22 LEU 2 49.763 -6.225 -5.765 19 2HD2 LEU 2 HD21 LEU 2 50.159 -4.763 -4.862 20 3HD2 LEU 2 HD23 LEU 2 49.341 -4.644 -6.421 21 H GLN 3 HN GLN 3 55.387 -7.769 -5.743 22 HA GLN 3 HA GLN 3 56.173 -5.906 -3.760 23 1HB GLN 3 HB2 GLN 3 55.040 -6.733 -1.773 24 2HB GLN 3 HB1 GLN 3 53.818 -6.288 -2.963 25 1HG GLN 3 HG2 GLN 3 54.710 -9.059 -3.259 26 2HG GLN 3 HG1 GLN 3 53.987 -8.737 -1.683 27 1HE2 GLN 3 HE21 GLN 3 51.874 -7.213 -1.972 28 2HE2 GLN 3 HE22 GLN 3 50.805 -7.735 -3.182 29 H LYS 4 HN LYS 4 57.738 -7.497 -5.235 30 HA LYS 4 HA LYS 4 58.297 -9.995 -3.777 31 1HB LYS 4 HB2 LYS 4 58.449 -9.469 -6.401 32 2HB LYS 4 HB1 LYS 4 60.092 -9.015 -5.948 33 1HG LYS 4 HG2 LYS 4 58.959 -11.601 -4.934 34 2HG LYS 4 HG1 LYS 4 59.555 -11.512 -6.593 35 1HD LYS 4 HD2 LYS 4 61.582 -11.964 -5.669 36 2HD LYS 4 HD1 LYS 4 61.572 -10.259 -5.217 37 1HE LYS 4 HE2 LYS 4 62.020 -11.370 -3.183 38 2HE LYS 4 HE1 LYS 4 60.290 -11.037 -3.101 39 1HZ LYS 4 HZ2 LYS 4 59.910 -13.289 -4.006 40 2HZ LYS 4 HZ1 LYS 4 61.576 -13.593 -3.890 41 3HZ LYS 4 HZ3 LYS 4 60.670 -13.299 -2.488 42 H LYS 5 HN LYS 5 60.290 -7.199 -4.840 43 HA LYS 5 HA LYS 5 62.303 -7.810 -2.868 44 1HB LYS 5 HB2 LYS 5 63.306 -6.656 -4.584 45 2HB LYS 5 HB1 LYS 5 61.850 -5.733 -4.946 46 1HG LYS 5 HG2 LYS 5 63.532 -4.223 -4.068 47 2HG LYS 5 HG1 LYS 5 62.248 -4.396 -2.877 48 1HD LYS 5 HD2 LYS 5 63.742 -6.323 -1.926 49 2HD LYS 5 HD1 LYS 5 65.031 -5.533 -2.833 50 1HE LYS 5 HE2 LYS 5 63.622 -3.479 -1.479 51 2HE LYS 5 HE1 LYS 5 63.890 -4.768 -0.305 52 1HZ LYS 5 HZ1 LYS 5 66.256 -4.684 -1.528 53 2HZ LYS 5 HZ3 LYS 5 65.806 -3.053 -1.641 54 3HZ LYS 5 HZ2 LYS 5 65.892 -3.806 -0.121 55 H ILE 6 HN ILE 6 59.258 -6.472 -2.659 56 HA ILE 6 HA ILE 6 59.937 -4.692 -0.385 57 HB ILE 6 HB ILE 6 57.276 -5.229 -1.719 58 1HG1 ILE 6 HG12 ILE 6 59.184 -4.331 -3.151 59 2HG1 ILE 6 HG11 ILE 6 57.723 -3.332 -3.101 60 1HG2 ILE 6 HG22 ILE 6 57.570 -4.175 0.696 61 2HG2 ILE 6 HG21 ILE 6 57.973 -2.727 -0.221 62 3HG2 ILE 6 HG23 ILE 6 56.407 -3.505 -0.442 63 1HD1 ILE 6 HD12 ILE 6 58.855 -2.046 -1.197 64 2HD1 ILE 6 HD11 ILE 6 60.335 -2.898 -1.638 65 3HD1 ILE 6 HD13 ILE 6 59.554 -1.826 -2.801 66 H GLU 7 HN GLU 7 58.189 -7.683 -1.147 67 HA GLU 7 HA GLU 7 57.223 -8.023 1.587 68 1HB GLU 7 HB2 GLU 7 57.279 -9.712 -0.897 69 2HB GLU 7 HB1 GLU 7 56.999 -10.494 0.659 70 1HG GLU 7 HG2 GLU 7 55.406 -8.138 -0.391 71 2HG GLU 7 HG1 GLU 7 54.877 -9.820 -0.460 72 H GLU 8 HN GLU 8 60.139 -8.571 -0.145 73 HA GLU 8 HA GLU 8 61.178 -10.649 1.600 74 1HB GLU 8 HB2 GLU 8 63.186 -10.460 0.335 75 2HB GLU 8 HB1 GLU 8 61.887 -10.168 -0.818 76 1HG GLU 8 HG2 GLU 8 62.206 -7.743 -0.634 77 2HG GLU 8 HG1 GLU 8 63.435 -7.995 0.621 78 H ILE 9 HN ILE 9 61.770 -7.126 1.263 79 HA ILE 9 HA ILE 9 63.528 -7.075 3.565 80 HB ILE 9 HB ILE 9 63.127 -5.364 1.494 81 1HG1 ILE 9 HG12 ILE 9 65.117 -5.330 2.818 82 2HG1 ILE 9 HG11 ILE 9 64.433 -3.706 2.922 83 1HG2 ILE 9 HG21 ILE 9 60.927 -4.650 2.508 84 2HG2 ILE 9 HG23 ILE 9 61.838 -3.997 3.869 85 3HG2 ILE 9 HG22 ILE 9 62.072 -3.334 2.252 86 1HD1 ILE 9 HD13 ILE 9 63.268 -4.459 5.052 87 2HD1 ILE 9 HD12 ILE 9 64.260 -5.915 4.983 88 3HD1 ILE 9 HD11 ILE 9 65.024 -4.336 5.159 89 H ALA 10 HN ALA 10 60.113 -6.598 2.990 90 HA ALA 10 HA ALA 10 59.430 -5.518 5.560 91 1HB ALA 10 HB2 ALA 10 58.020 -6.730 3.265 92 2HB ALA 10 HB1 ALA 10 57.214 -6.928 4.821 93 3HB ALA 10 HB3 ALA 10 57.594 -5.313 4.224 94 H ALA 11 HN ALA 11 59.352 -8.821 4.243 95 HA ALA 11 HA ALA 11 58.577 -10.089 6.687 96 1HB ALA 11 HB1 ALA 11 59.671 -10.939 4.066 97 2HB ALA 11 HB3 ALA 11 59.965 -12.037 5.413 98 3HB ALA 11 HB2 ALA 11 58.313 -11.591 4.986 99 H LYS 12 HN LYS 12 61.719 -9.114 5.357 100 HA LYS 12 HA LYS 12 63.088 -10.540 7.553 101 1HB LYS 12 HB2 LYS 12 65.114 -10.033 6.487 102 2HB LYS 12 HB1 LYS 12 63.995 -10.210 5.138 103 1HG LYS 12 HG2 LYS 12 64.623 -8.154 4.483 104 2HG LYS 12 HG1 LYS 12 63.766 -7.523 5.891 105 1HD LYS 12 HD2 LYS 12 65.889 -6.655 6.263 106 2HD LYS 12 HD1 LYS 12 66.016 -8.185 7.134 107 1HE LYS 12 HE2 LYS 12 66.642 -8.763 4.438 108 2HE LYS 12 HE1 LYS 12 67.517 -7.286 4.839 109 1HZ LYS 12 HZ2 LYS 12 67.643 -9.145 6.977 110 2HZ LYS 12 HZ1 LYS 12 68.198 -9.862 5.540 111 3HZ LYS 12 HZ3 LYS 12 68.912 -8.430 6.101 112 H TYR 13 HN TYR 13 61.291 -8.693 8.561 113 HA TYR 13 HA TYR 13 63.066 -6.486 9.497 114 1HB TYR 13 HB2 TYR 13 60.116 -6.686 9.070 115 2HB TYR 13 HB1 TYR 13 60.684 -5.684 10.398 116 HD1 TYR 13 HD1 TYR 13 63.244 -4.642 9.350 117 HD2 TYR 13 HD2 TYR 13 59.452 -5.165 7.399 118 HE1 TYR 13 HE1 TYR 13 63.819 -2.840 7.748 119 HE2 TYR 13 HE2 TYR 13 60.029 -3.362 5.799 120 HH TYR 13 HH TYR 13 62.071 -2.291 4.895 121 H LYS 14 HN LYS 14 63.462 -6.286 11.670 122 HA LYS 14 HA LYS 14 62.785 -8.600 13.356 123 1HB LYS 14 HB2 LYS 14 64.778 -6.451 13.365 124 2HB LYS 14 HB1 LYS 14 64.097 -6.757 14.964 125 1HG LYS 14 HG2 LYS 14 64.943 -8.897 15.070 126 2HG LYS 14 HG1 LYS 14 64.857 -9.130 13.323 127 1HD LYS 14 HD2 LYS 14 66.763 -7.093 14.426 128 2HD LYS 14 HD1 LYS 14 67.200 -8.801 14.493 129 1HE LYS 14 HE2 LYS 14 66.266 -7.437 11.957 130 2HE LYS 14 HE1 LYS 14 67.966 -7.576 12.403 131 1HZ LYS 14 HZ1 LYS 14 66.078 -9.842 12.058 132 2HZ LYS 14 HZ3 LYS 14 67.282 -9.383 10.955 133 3HZ LYS 14 HZ2 LYS 14 67.717 -9.974 12.487 134 H HIS 15 HN HIS 15 60.507 -7.113 12.630 135 HA HIS 15 HA HIS 15 59.371 -6.551 15.219 136 1HB HIS 15 HB2 HIS 15 60.724 -4.386 13.938 137 2HB HIS 15 HB1 HIS 15 58.993 -4.064 13.855 138 HD1 HIS 15 HD1 HIS 15 61.364 -2.843 15.846 139 HD2 HIS 15 HD2 HIS 15 58.172 -5.339 16.823 140 HE1 HIS 15 HE1 HIS 15 60.951 -2.538 18.325 141 H SER 16 HN SER 16 57.548 -7.710 14.691 142 HA SER 16 HA SER 16 56.300 -8.118 12.283 143 1HB SER 16 HB2 SER 16 55.008 -7.598 14.964 144 2HB SER 16 HB1 SER 16 54.116 -8.183 13.563 145 HG SER 16 HG SER 16 55.836 -9.860 13.501 146 H VAL 17 HN VAL 17 56.032 -5.072 14.152 147 HA VAL 17 HA VAL 17 53.926 -3.978 12.529 148 HB VAL 17 HB VAL 17 55.988 -2.443 14.125 149 1HG1 VAL 17 HG11 VAL 17 53.383 -1.850 12.821 150 2HG1 VAL 17 HG13 VAL 17 53.634 -1.146 14.418 151 3HG1 VAL 17 HG12 VAL 17 54.764 -0.791 13.111 152 1HG2 VAL 17 HG22 VAL 17 54.392 -4.460 15.119 153 2HG2 VAL 17 HG21 VAL 17 54.996 -3.099 16.064 154 3HG2 VAL 17 HG23 VAL 17 53.381 -3.036 15.360 155 H VAL 18 HN VAL 18 57.479 -3.748 12.358 156 HA VAL 18 HA VAL 18 57.733 -1.719 10.437 157 HB VAL 18 HB VAL 18 59.322 -4.298 10.404 158 1HG1 VAL 18 HG11 VAL 18 59.704 -2.704 8.549 159 2HG1 VAL 18 HG13 VAL 18 60.033 -1.441 9.733 160 3HG1 VAL 18 HG12 VAL 18 61.113 -2.827 9.605 161 1HG2 VAL 18 HG21 VAL 18 58.966 -2.722 12.629 162 2HG2 VAL 18 HG23 VAL 18 60.387 -3.712 12.313 163 3HG2 VAL 18 HG22 VAL 18 60.394 -2.003 11.893 164 H LYS 19 HN LYS 19 56.382 -4.900 10.125 165 HA LYS 19 HA LYS 19 56.686 -5.290 7.326 166 1HB LYS 19 HB2 LYS 19 55.830 -7.104 8.654 167 2HB LYS 19 HB1 LYS 19 54.480 -6.124 9.228 168 1HG LYS 19 HG2 LYS 19 53.500 -6.055 7.023 169 2HG LYS 19 HG1 LYS 19 54.923 -6.816 6.313 170 1HD LYS 19 HD2 LYS 19 52.964 -8.379 6.701 171 2HD LYS 19 HD1 LYS 19 54.480 -8.891 7.444 172 1HE LYS 19 HE2 LYS 19 53.779 -8.066 9.605 173 2HE LYS 19 HE1 LYS 19 52.342 -7.320 8.906 174 1HZ LYS 19 HZ1 LYS 19 52.574 -10.113 8.295 175 2HZ LYS 19 HZ3 LYS 19 52.470 -9.814 9.962 176 3HZ LYS 19 HZ2 LYS 19 51.254 -9.244 8.920 177 H LYS 20 HN LYS 20 54.054 -3.688 9.152 178 HA LYS 20 HA LYS 20 52.547 -2.898 6.854 179 1HB LYS 20 HB2 LYS 20 51.438 -2.768 8.954 180 2HB LYS 20 HB1 LYS 20 52.732 -1.803 9.662 181 1HG LYS 20 HG2 LYS 20 51.702 0.091 9.017 182 2HG LYS 20 HG1 LYS 20 51.746 -0.435 7.332 183 1HD LYS 20 HD2 LYS 20 49.424 0.003 8.207 184 2HD LYS 20 HD1 LYS 20 49.658 -1.634 7.590 185 1HE LYS 20 HE2 LYS 20 48.994 -2.435 9.585 186 2HE LYS 20 HE1 LYS 20 50.419 -1.695 10.316 187 1HZ LYS 20 HZ1 LYS 20 48.376 0.222 9.784 188 2HZ LYS 20 HZ3 LYS 20 47.812 -1.019 10.794 189 3HZ LYS 20 HZ2 LYS 20 49.183 -0.120 11.239 190 H CYS 21 HN CYS 21 54.948 -1.130 8.806 191 HA CYS 21 HA CYS 21 54.977 1.321 7.503 192 1HB CYS 21 HB2 CYS 21 57.266 -0.309 8.627 193 2HB CYS 21 HB1 CYS 21 57.460 1.349 8.073 194 H CYS 22 HN CYS 22 56.885 -1.559 6.547 195 HA CYS 22 HA CYS 22 57.853 -0.300 4.131 196 1HB CYS 22 HB2 CYS 22 59.240 -2.061 4.726 197 2HB CYS 22 HB1 CYS 22 57.907 -3.057 5.300 198 H TYR 23 HN TYR 23 54.987 -2.087 5.033 199 HA TYR 23 HA TYR 23 54.100 -2.907 2.485 200 1HB TYR 23 HB2 TYR 23 52.932 -2.529 5.093 201 2HB TYR 23 HB1 TYR 23 51.811 -2.016 3.844 202 HD1 TYR 23 HD2 TYR 23 51.646 -3.592 1.738 203 HD2 TYR 23 HD1 TYR 23 53.059 -4.756 5.612 204 HE1 TYR 23 HE2 TYR 23 51.174 -5.966 1.190 205 HE2 TYR 23 HE1 TYR 23 52.596 -7.094 5.067 206 HH TYR 23 HH TYR 23 51.754 -8.537 3.595 207 H ASP 24 HN ASP 24 53.333 0.128 4.222 208 HA ASP 24 HA ASP 24 52.073 1.382 1.971 209 1HB ASP 24 HB2 ASP 24 53.532 2.994 4.034 210 2HB ASP 24 HB1 ASP 24 51.968 3.302 3.289 211 H GLY 25 HN GLY 25 55.391 1.606 3.292 212 1HA GLY 25 HA2 GLY 25 56.577 3.448 1.646 213 2HA GLY 25 HA1 GLY 25 57.398 1.942 2.078 214 H ALA 26 HN ALA 26 56.192 -0.001 0.708 215 HA ALA 26 HA ALA 26 56.938 0.434 -2.034 216 1HB ALA 26 HB2 ALA 26 55.732 -1.764 -0.448 217 2HB ALA 26 HB1 ALA 26 55.370 -1.778 -2.175 218 3HB ALA 26 HB3 ALA 26 57.045 -1.815 -1.624 219 H CYS 27 HN CYS 27 53.829 0.475 -0.324 220 HA CYS 27 HA CYS 27 52.313 0.877 -2.802 221 1HB CYS 27 HB2 CYS 27 51.648 0.792 0.126 222 2HB CYS 27 HB1 CYS 27 50.483 1.473 -1.011 223 HG CYS 27 HG CYS 27 50.246 -0.802 -2.154 224 H VAL 28 HN VAL 28 54.431 2.809 -1.385 225 HA VAL 28 HA VAL 28 53.691 5.225 -0.573 226 HB VAL 28 HB VAL 28 55.936 4.973 -1.320 227 1HG1 VAL 28 HG11 VAL 28 54.626 4.172 -3.881 228 2HG1 VAL 28 HG13 VAL 28 56.237 4.886 -3.952 229 3HG1 VAL 28 HG12 VAL 28 55.965 3.414 -3.019 230 1HG2 VAL 28 HG22 VAL 28 54.374 7.175 -2.167 231 2HG2 VAL 28 HG21 VAL 28 56.122 7.143 -1.936 232 3HG2 VAL 28 HG23 VAL 28 55.435 6.788 -3.521 233 H ASN 29 HN ASN 29 52.024 6.589 -1.015 234 HA ASN 29 HA ASN 29 50.104 6.347 -2.987 235 1HB ASN 29 HB2 ASN 29 51.070 8.545 -1.289 236 2HB ASN 29 HB1 ASN 29 50.291 9.090 -2.775 237 1HD2 ASN 29 HD22 ASN 29 47.177 8.657 -1.173 238 2HD2 ASN 29 HD21 ASN 29 48.225 9.705 -2.002 239 H ASN 30 HN ASN 30 49.749 7.714 -4.973 240 HA ASN 30 HA ASN 30 51.697 7.323 -6.933 241 1HB ASN 30 HB2 ASN 30 50.502 8.975 -8.282 242 2HB ASN 30 HB1 ASN 30 49.339 8.002 -7.380 243 1HD2 ASN 30 HD22 ASN 30 49.804 11.966 -6.449 244 2HD2 ASN 30 HD21 ASN 30 50.950 11.191 -7.432 245 H ASP 31 HN ASP 31 51.191 10.255 -4.959 246 HA ASP 31 HA ASP 31 53.218 11.856 -6.101 247 1HB ASP 31 HB2 ASP 31 51.445 12.289 -4.154 248 2HB ASP 31 HB1 ASP 31 52.841 11.927 -3.139 249 H GLU 32 HN GLU 32 55.391 11.622 -6.146 250 HA GLU 32 HA GLU 32 56.896 9.468 -5.385 251 1HB GLU 32 HB2 GLU 32 57.499 12.349 -5.718 252 2HB GLU 32 HB1 GLU 32 58.699 11.424 -4.814 253 1HG GLU 32 HG2 GLU 32 59.215 10.064 -6.619 254 2HG GLU 32 HG1 GLU 32 57.629 10.272 -7.363 255 H THR 33 HN THR 33 57.224 12.363 -3.328 256 HA THR 33 HA THR 33 58.240 11.223 -1.046 257 HB THR 33 HB THR 33 56.423 12.971 0.051 258 HG1 THR 33 HG1 THR 33 55.433 13.670 -1.705 259 1HG2 THR 33 HG22 THR 33 58.996 13.643 -1.405 260 2HG2 THR 33 HG21 THR 33 58.227 14.638 -0.169 261 3HG2 THR 33 HG23 THR 33 58.881 13.057 0.254 262 H CYS 34 HN CYS 34 57.469 9.114 -0.719 263 HA CYS 34 HA CYS 34 54.812 8.247 -0.587 264 1HB CYS 34 HB2 CYS 34 55.896 6.783 1.456 265 2HB CYS 34 HB1 CYS 34 56.025 6.373 -0.243 266 H GLU 35 HN GLU 35 56.317 8.186 2.566 267 HA GLU 35 HA GLU 35 53.905 9.055 3.866 268 1HB GLU 35 HB2 GLU 35 56.736 8.931 4.938 269 2HB GLU 35 HB1 GLU 35 55.287 9.066 5.926 270 1HG GLU 35 HG2 GLU 35 55.487 6.835 3.934 271 2HG GLU 35 HG1 GLU 35 56.325 6.692 5.483 272 H GLN 36 HN GLN 36 56.889 10.715 2.926 273 HA GLN 36 HA GLN 36 56.532 13.165 4.260 274 1HB GLN 36 HB2 GLN 36 58.517 12.816 2.917 275 2HB GLN 36 HB1 GLN 36 57.551 12.600 1.459 276 1HG GLN 36 HG2 GLN 36 58.589 14.880 1.641 277 2HG GLN 36 HG1 GLN 36 56.829 14.916 1.526 278 1HE2 GLN 36 HE22 GLN 36 57.217 17.129 4.334 279 2HE2 GLN 36 HE21 GLN 36 57.073 17.102 2.643 280 H ARG 37 HN ARG 37 54.909 11.776 1.469 281 HA ARG 37 HA ARG 37 53.310 14.207 0.995 282 1HB ARG 37 HB2 ARG 37 53.875 12.671 -0.891 283 2HB ARG 37 HB1 ARG 37 52.946 11.396 -0.102 284 1HG ARG 37 HG2 ARG 37 51.311 12.247 -1.494 285 2HG ARG 37 HG1 ARG 37 51.059 13.283 -0.089 286 1HD ARG 37 HD2 ARG 37 53.113 14.190 -2.035 287 2HD ARG 37 HD1 ARG 37 51.437 14.263 -2.580 288 HE ARG 37 HE ARG 37 52.204 15.510 0.019 289 1HH1 ARG 37 HH12 ARG 37 52.099 16.295 -3.220 290 2HH1 ARG 37 HH11 ARG 37 50.981 17.608 -3.058 291 1HH2 ARG 37 HH21 ARG 37 50.252 16.928 0.263 292 2HH2 ARG 37 HH22 ARG 37 49.935 17.967 -1.086 293 H ALA 38 HN ALA 38 53.069 11.081 2.616 294 HA ALA 38 HA ALA 38 50.369 10.849 3.205 295 1HB ALA 38 HB3 ALA 38 52.665 10.545 5.175 296 2HB ALA 38 HB2 ALA 38 51.048 9.881 5.391 297 3HB ALA 38 HB1 ALA 38 52.077 9.286 4.091 298 H ALA 39 HN ALA 39 52.631 12.520 5.362 299 HA ALA 39 HA ALA 39 51.289 15.006 5.470 300 1HB ALA 39 HB1 ALA 39 49.924 12.889 6.922 301 2HB ALA 39 HB3 ALA 39 50.455 14.161 8.023 302 3HB ALA 39 HB2 ALA 39 49.414 14.556 6.655 303 H ARG 40 HN ARG 40 52.744 12.509 7.454 304 HA ARG 40 HA ARG 40 55.191 13.859 7.933 305 1HB ARG 40 HB2 ARG 40 53.017 14.795 9.580 306 2HB ARG 40 HB1 ARG 40 54.201 13.955 10.581 307 1HG ARG 40 HG2 ARG 40 55.831 15.421 8.940 308 2HG ARG 40 HG1 ARG 40 54.453 16.505 9.125 309 1HD ARG 40 HD2 ARG 40 55.221 17.078 11.160 310 2HD ARG 40 HD1 ARG 40 54.971 15.414 11.688 311 HE ARG 40 HE ARG 40 57.377 15.181 10.485 312 1HH1 ARG 40 HH12 ARG 40 57.942 18.056 10.563 313 2HH1 ARG 40 HH11 ARG 40 58.655 18.282 12.125 314 1HH2 ARG 40 HH21 ARG 40 57.501 15.263 13.382 315 2HH2 ARG 40 HH22 ARG 40 58.406 16.701 13.720 316 H ILE 41 HN ILE 41 56.362 11.993 8.069 317 HA ILE 41 HA ILE 41 55.334 9.490 8.808 318 HB ILE 41 HB ILE 41 57.580 9.831 7.736 319 1HG1 ILE 41 HG12 ILE 41 58.621 7.954 9.001 320 2HG1 ILE 41 HG11 ILE 41 57.409 8.176 10.262 321 1HG2 ILE 41 HG21 ILE 41 58.094 11.572 9.725 322 2HG2 ILE 41 HG23 ILE 41 58.796 10.118 10.436 323 3HG2 ILE 41 HG22 ILE 41 59.373 10.703 8.875 324 1HD1 ILE 41 HD11 ILE 41 56.503 7.861 7.419 325 2HD1 ILE 41 HD13 ILE 41 56.972 6.427 8.334 326 3HD1 ILE 41 HD12 ILE 41 55.657 7.450 8.911 327 H SER 42 HN SER 42 54.038 9.559 10.571 328 HA SER 42 HA SER 42 55.526 9.740 13.092 329 1HB SER 42 HB2 SER 42 54.091 11.228 14.115 330 2HB SER 42 HB1 SER 42 54.072 11.854 12.464 331 HG SER 42 HG SER 42 52.121 10.954 12.142 332 H LEU 43 HN LEU 43 55.082 7.418 11.961 333 HA LEU 43 HA LEU 43 52.773 6.384 13.493 334 1HB LEU 43 HB2 LEU 43 53.872 5.668 10.820 335 2HB LEU 43 HB1 LEU 43 53.302 4.329 11.818 336 HG LEU 43 HG LEU 43 51.400 6.471 11.982 337 1HD1 LEU 43 HD13 LEU 43 52.302 5.685 9.202 338 2HD1 LEU 43 HD12 LEU 43 50.696 6.338 9.528 339 3HD1 LEU 43 HD11 LEU 43 52.129 7.309 9.864 340 1HD2 LEU 43 HD22 LEU 43 51.528 3.612 11.118 341 2HD2 LEU 43 HD21 LEU 43 50.516 4.366 12.350 342 3HD2 LEU 43 HD23 LEU 43 50.109 4.546 10.643 343 H GLY 44 HN GLY 44 56.111 6.586 13.312 344 1HA GLY 44 HA2 GLY 44 56.835 5.329 15.604 345 2HA GLY 44 HA1 GLY 44 56.652 3.948 14.521 346 HA PRO 45 HA PRO 45 60.918 5.983 13.916 347 1HB PRO 45 HB2 PRO 45 62.387 4.180 15.318 348 2HB PRO 45 HB1 PRO 45 61.681 5.622 16.055 349 1HG PRO 45 HG2 PRO 45 60.832 2.794 16.284 350 2HG PRO 45 HG1 PRO 45 60.702 4.113 17.455 351 1HD PRO 45 HD2 PRO 45 58.631 3.140 15.876 352 2HD PRO 45 HD1 PRO 45 58.629 4.684 16.731 353 H ARG 46 HN ARG 46 60.684 2.438 14.415 354 HA ARG 46 HA ARG 46 62.314 1.616 12.312 355 1HB ARG 46 HB2 ARG 46 61.309 -0.499 12.495 356 2HB ARG 46 HB1 ARG 46 60.994 0.217 14.072 357 1HG ARG 46 HG2 ARG 46 59.013 0.375 11.785 358 2HG ARG 46 HG1 ARG 46 59.002 -0.920 12.974 359 1HD ARG 46 HD2 ARG 46 58.923 1.989 13.778 360 2HD ARG 46 HD1 ARG 46 57.463 1.055 13.465 361 HE ARG 46 HE ARG 46 59.431 0.097 15.491 362 1HH1 ARG 46 HH21 ARG 46 56.681 2.008 15.130 363 2HH1 ARG 46 HH22 ARG 46 55.745 1.192 16.337 364 1HH2 ARG 46 HH12 ARG 46 58.065 -1.343 16.800 365 2HH2 ARG 46 HH11 ARG 46 56.530 -0.704 17.284 366 H CYS 47 HN CYS 47 59.118 2.970 12.194 367 HA CYS 47 HA CYS 47 58.330 2.235 9.536 368 1HB CYS 47 HB2 CYS 47 57.333 3.834 11.624 369 2HB CYS 47 HB1 CYS 47 57.567 4.939 10.260 370 H ILE 48 HN ILE 48 59.755 5.271 10.713 371 HA ILE 48 HA ILE 48 60.056 6.715 8.453 372 HB ILE 48 HB ILE 48 61.877 6.279 10.785 373 1HG1 ILE 48 HG12 ILE 48 61.403 8.681 11.103 374 2HG1 ILE 48 HG11 ILE 48 60.522 8.712 9.575 375 1HG2 ILE 48 HG21 ILE 48 62.564 7.879 8.314 376 2HG2 ILE 48 HG23 ILE 48 63.378 8.062 9.867 377 3HG2 ILE 48 HG22 ILE 48 63.478 6.532 8.994 378 1HD1 ILE 48 HD12 ILE 48 58.997 6.937 10.513 379 2HD1 ILE 48 HD11 ILE 48 59.799 7.152 12.068 380 3HD1 ILE 48 HD13 ILE 48 58.900 8.487 11.349 381 H LYS 49 HN LYS 49 62.697 4.443 9.362 382 HA LYS 49 HA LYS 49 63.680 4.494 6.612 383 1HB LYS 49 HB2 LYS 49 64.554 2.996 9.087 384 2HB LYS 49 HB1 LYS 49 65.353 2.823 7.524 385 1HG LYS 49 HG2 LYS 49 66.494 4.733 7.851 386 2HG LYS 49 HG1 LYS 49 64.991 5.620 8.105 387 1HD LYS 49 HD2 LYS 49 65.145 5.500 10.383 388 2HD LYS 49 HD1 LYS 49 65.864 3.889 10.352 389 1HE LYS 49 HE2 LYS 49 67.482 6.159 9.275 390 2HE LYS 49 HE1 LYS 49 67.304 6.030 11.026 391 1HZ LYS 49 HZ3 LYS 49 67.888 3.550 10.553 392 2HZ LYS 49 HZ2 LYS 49 68.593 4.186 9.144 393 3HZ LYS 49 HZ1 LYS 49 69.118 4.713 10.672 394 H ALA 50 HN ALA 50 61.451 2.487 8.342 395 HA ALA 50 HA ALA 50 61.939 0.124 6.738 396 1HB ALA 50 HB3 ALA 50 59.521 0.926 8.390 397 2HB ALA 50 HB2 ALA 50 59.798 -0.675 7.700 398 3HB ALA 50 HB1 ALA 50 60.874 -0.055 8.952 399 H PHE 51 HN PHE 51 59.151 2.313 6.927 400 HA PHE 51 HA PHE 51 58.108 1.605 4.424 401 1HB PHE 51 HB2 PHE 51 56.517 3.195 4.831 402 2HB PHE 51 HB1 PHE 51 57.171 3.114 6.458 403 HD1 PHE 51 HD2 PHE 51 57.499 4.959 3.206 404 HD2 PHE 51 HD1 PHE 51 58.125 5.035 7.440 405 HE1 PHE 51 HE2 PHE 51 58.146 7.353 3.084 406 HE2 PHE 51 HE1 PHE 51 58.772 7.407 7.313 407 HZ PHE 51 HZ PHE 51 58.777 8.571 5.151 408 H THR 52 HN THR 52 60.237 4.299 5.397 409 HA THR 52 HA THR 52 60.415 5.488 2.842 410 HB THR 52 HB THR 52 62.521 5.311 5.013 411 HG1 THR 52 HG1 THR 52 61.136 7.627 4.359 412 1HG2 THR 52 HG21 THR 52 62.573 6.444 2.305 413 2HG2 THR 52 HG23 THR 52 63.013 7.597 3.565 414 3HG2 THR 52 HG22 THR 52 63.907 6.086 3.400 415 H GLU 53 HN GLU 53 62.195 2.781 4.231 416 HA GLU 53 HA GLU 53 64.044 2.445 2.076 417 1HB GLU 53 HB2 GLU 53 64.557 1.507 4.222 418 2HB GLU 53 HB1 GLU 53 63.065 0.572 4.200 419 1HG GLU 53 HG2 GLU 53 64.922 -0.889 3.599 420 2HG GLU 53 HG1 GLU 53 63.892 -0.647 2.188 421 H CYS 54 HN CYS 54 60.832 1.081 2.715 422 HA CYS 54 HA CYS 54 61.028 -0.737 0.429 423 1HB CYS 54 HB2 CYS 54 59.139 -0.259 2.630 424 2HB CYS 54 HB1 CYS 54 58.356 -0.641 1.093 425 H CYS 55 HN CYS 55 59.972 2.459 1.085 426 HA CYS 55 HA CYS 55 58.386 2.716 -1.371 427 1HB CYS 55 HB2 CYS 55 57.481 4.165 0.176 428 2HB CYS 55 HB1 CYS 55 58.996 4.351 1.039 429 H VAL 56 HN VAL 56 61.627 3.304 -0.214 430 HA VAL 56 HA VAL 56 62.415 4.868 -2.567 431 HB VAL 56 HB VAL 56 64.129 3.489 -0.466 432 1HG1 VAL 56 HG11 VAL 56 64.748 5.554 -2.595 433 2HG1 VAL 56 HG13 VAL 56 65.854 5.122 -1.292 434 3HG1 VAL 56 HG12 VAL 56 65.385 3.913 -2.487 435 1HG2 VAL 56 HG22 VAL 56 62.414 5.596 -0.045 436 2HG2 VAL 56 HG21 VAL 56 63.878 5.293 0.890 437 3HG2 VAL 56 HG23 VAL 56 63.913 6.429 -0.458 438 H VAL 57 HN VAL 57 62.789 1.549 -1.357 439 HA VAL 57 HA VAL 57 64.326 0.661 -3.624 440 HB VAL 57 HB VAL 57 63.663 -1.601 -2.904 441 1HG1 VAL 57 HG13 VAL 57 64.537 0.422 -0.872 442 2HG1 VAL 57 HG12 VAL 57 64.236 -1.234 -0.345 443 3HG1 VAL 57 HG11 VAL 57 65.451 -0.910 -1.581 444 1HG2 VAL 57 HG22 VAL 57 61.707 -0.052 -1.203 445 2HG2 VAL 57 HG21 VAL 57 61.361 -1.339 -2.358 446 3HG2 VAL 57 HG23 VAL 57 62.157 -1.716 -0.831 447 H ALA 58 HN ALA 58 60.928 0.833 -2.726 448 HA ALA 58 HA ALA 58 59.877 -0.293 -5.152 449 1HB ALA 58 HB1 ALA 58 58.690 1.707 -3.200 450 2HB ALA 58 HB3 ALA 58 57.780 0.879 -4.463 451 3HB ALA 58 HB2 ALA 58 58.483 -0.044 -3.135 452 H SER 59 HN SER 59 61.207 2.718 -4.178 453 HA SER 59 HA SER 59 60.096 4.433 -6.170 454 1HB SER 59 HB2 SER 59 61.391 5.001 -4.031 455 2HB SER 59 HB1 SER 59 62.837 4.774 -5.010 456 HG SER 59 HG SER 59 61.092 6.842 -4.947 457 H GLN 60 HN GLN 60 63.419 3.182 -5.993 458 HA GLN 60 HA GLN 60 64.051 3.710 -8.727 459 1HB GLN 60 HB2 GLN 60 65.312 2.531 -6.418 460 2HB GLN 60 HB1 GLN 60 65.598 1.525 -7.839 461 1HG GLN 60 HG2 GLN 60 66.784 3.176 -8.935 462 2HG GLN 60 HG1 GLN 60 65.876 4.476 -8.158 463 1HE2 GLN 60 HE22 GLN 60 67.869 3.922 -5.033 464 2HE2 GLN 60 HE21 GLN 60 66.223 3.822 -5.431 465 H LEU 61 HN LEU 61 62.397 1.126 -7.134 466 HA LEU 61 HA LEU 61 62.734 -0.837 -9.236 467 1HB LEU 61 HB2 LEU 61 60.994 -0.537 -6.807 468 2HB LEU 61 HB1 LEU 61 60.634 -1.798 -7.974 469 HG LEU 61 HG LEU 61 63.150 -1.427 -6.387 470 1HD1 LEU 61 HD13 LEU 61 60.946 -3.473 -6.513 471 2HD1 LEU 61 HD12 LEU 61 62.534 -3.902 -5.878 472 3HD1 LEU 61 HD11 LEU 61 61.587 -2.633 -5.101 473 1HD2 LEU 61 HD23 LEU 61 62.686 -2.772 -8.973 474 2HD2 LEU 61 HD22 LEU 61 64.200 -2.230 -8.248 475 3HD2 LEU 61 HD21 LEU 61 63.491 -3.770 -7.761 476 H ARG 62 HN ARG 62 60.444 1.705 -8.432 477 HA ARG 62 HA ARG 62 58.845 0.980 -10.815 478 1HB ARG 62 HB2 ARG 62 57.048 2.207 -9.902 479 2HB ARG 62 HB1 ARG 62 57.776 1.403 -8.514 480 1HG ARG 62 HG2 ARG 62 58.954 3.421 -7.880 481 2HG ARG 62 HG1 ARG 62 58.453 4.233 -9.363 482 1HD ARG 62 HD2 ARG 62 56.609 4.955 -8.288 483 2HD ARG 62 HD1 ARG 62 56.079 3.280 -8.169 484 HE ARG 62 HE ARG 62 56.616 3.353 -5.882 485 1HH1 ARG 62 HH21 ARG 62 57.695 6.192 -7.453 486 2HH1 ARG 62 HH22 ARG 62 58.673 6.726 -6.128 487 1HH2 ARG 62 HH12 ARG 62 58.155 3.870 -4.239 488 2HH2 ARG 62 HH11 ARG 62 58.937 5.413 -4.315 489 H ALA 63 HN ALA 63 61.455 2.917 -10.146 490 HA ALA 63 HA ALA 63 60.694 5.387 -11.392 491 1HB ALA 63 HB2 ALA 63 63.402 4.066 -11.067 492 2HB ALA 63 HB1 ALA 63 63.170 5.714 -11.649 493 3HB ALA 63 HB3 ALA 63 62.683 5.280 -10.011 494 H ASN 64 HN ASN 64 63.402 4.405 -13.131 495 HA ASN 64 HA ASN 64 62.373 4.766 -15.663 496 1HB ASN 64 HB2 ASN 64 64.406 2.624 -14.981 497 2HB ASN 64 HB1 ASN 64 64.230 3.470 -16.520 498 1HD2 ASN 64 HD22 ASN 64 66.940 5.291 -14.845 499 2HD2 ASN 64 HD21 ASN 64 66.705 3.810 -15.641 500 H ILE 65 HN ILE 65 62.149 1.820 -13.709 501 HA ILE 65 HA ILE 65 61.203 0.052 -15.705 502 HB ILE 65 HB ILE 65 60.076 0.022 -12.908 503 1HG1 ILE 65 HG12 ILE 65 62.921 -0.466 -13.807 504 2HG1 ILE 65 HG11 ILE 65 62.354 0.471 -12.426 505 1HG2 ILE 65 HG21 ILE 65 60.983 -2.080 -14.900 506 2HG2 ILE 65 HG23 ILE 65 60.440 -2.439 -13.263 507 3HG2 ILE 65 HG22 ILE 65 59.324 -1.726 -14.421 508 1HD1 ILE 65 HD11 ILE 65 61.335 -2.083 -11.962 509 2HD1 ILE 65 HD13 ILE 65 62.951 -2.380 -12.604 510 3HD1 ILE 65 HD12 ILE 65 62.742 -1.368 -11.175 511 H SER 66 HN SER 66 58.858 -0.718 -15.875 512 HA SER 66 HA SER 66 56.666 0.949 -15.148 513 1HB SER 66 HB2 SER 66 56.215 1.892 -17.468 514 2HB SER 66 HB1 SER 66 57.550 2.642 -16.598 515 HG SER 66 HG SER 66 57.789 0.527 -18.483 516 H HIS 67 HN HIS 67 57.130 -1.807 -15.225 517 HA HIS 67 HA HIS 67 54.869 -2.678 -16.882 518 1HB HIS 67 HB2 HIS 67 57.427 -2.879 -17.972 519 2HB HIS 67 HB1 HIS 67 57.115 -4.489 -17.326 520 HD1 HIS 67 HD1 HIS 67 56.602 -2.612 -20.304 521 HD2 HIS 67 HD2 HIS 67 54.254 -5.310 -18.164 522 HE1 HIS 67 HE1 HIS 67 54.822 -3.437 -21.904 523 H LYS 68 HN LYS 68 55.661 -5.515 -16.621 524 HA LYS 68 HA LYS 68 54.489 -6.262 -14.243 525 1HB LYS 68 HB2 LYS 68 56.935 -7.595 -15.447 526 2HB LYS 68 HB1 LYS 68 55.791 -8.349 -14.337 527 1HG LYS 68 HG2 LYS 68 54.214 -7.259 -16.393 528 2HG LYS 68 HG1 LYS 68 55.587 -8.011 -17.207 529 1HD LYS 68 HD2 LYS 68 54.485 -9.968 -16.952 530 2HD LYS 68 HD1 LYS 68 54.916 -9.858 -15.245 531 1HE LYS 68 HE2 LYS 68 52.824 -8.597 -14.813 532 2HE LYS 68 HE1 LYS 68 52.385 -8.770 -16.513 533 1HZ LYS 68 HZ1 LYS 68 52.716 -11.258 -16.081 534 2HZ LYS 68 HZ3 LYS 68 52.594 -10.855 -14.437 535 3HZ LYS 68 HZ2 LYS 68 51.302 -10.523 -15.489 536 H ASP 69 HN ASP 69 57.925 -5.450 -14.657 537 HA ASP 69 HA ASP 69 58.707 -5.862 -11.961 538 1HB ASP 69 HB2 ASP 69 59.806 -4.175 -14.214 539 2HB ASP 69 HB1 ASP 69 60.541 -4.162 -12.612 540 H MET 70 HN MET 70 57.981 -2.804 -13.694 541 HA MET 70 HA MET 70 57.857 -1.254 -11.253 542 1HB MET 70 HB2 MET 70 58.316 -0.388 -13.612 543 2HB MET 70 HB1 MET 70 56.582 -0.527 -13.898 544 1HG MET 70 HG2 MET 70 57.077 0.802 -11.384 545 2HG MET 70 HG1 MET 70 57.938 1.625 -12.681 546 1HE MET 70 HE1 MET 70 56.587 3.723 -12.266 547 2HE MET 70 HE3 MET 70 56.932 3.411 -13.973 548 3HE MET 70 HE2 MET 70 55.356 4.031 -13.489 549 H GLN 71 HN GLN 71 55.185 -1.821 -13.576 550 HA GLN 71 HA GLN 71 53.038 -1.122 -12.012 551 1HB GLN 71 HB2 GLN 71 53.135 -2.239 -14.392 552 2HB GLN 71 HB1 GLN 71 52.866 -3.732 -13.491 553 1HG GLN 71 HG2 GLN 71 50.888 -2.615 -12.391 554 2HG GLN 71 HG1 GLN 71 51.104 -1.268 -13.509 555 1HE2 GLN 71 HE22 GLN 71 49.002 -2.974 -15.773 556 2HE2 GLN 71 HE21 GLN 71 49.284 -1.561 -14.874 557 H LEU 72 HN LEU 72 54.836 -4.205 -11.784 558 HA LEU 72 HA LEU 72 53.221 -4.867 -9.350 559 1HB LEU 72 HB2 LEU 72 54.284 -6.431 -11.540 560 2HB LEU 72 HB1 LEU 72 54.893 -7.042 -10.002 561 HG LEU 72 HG LEU 72 52.557 -7.071 -9.152 562 1HD1 LEU 72 HD12 LEU 72 52.043 -6.131 -11.975 563 2HD1 LEU 72 HD11 LEU 72 50.782 -6.841 -10.967 564 3HD1 LEU 72 HD13 LEU 72 51.568 -5.343 -10.470 565 1HD2 LEU 72 HD21 LEU 72 53.653 -8.724 -11.292 566 2HD2 LEU 72 HD23 LEU 72 52.736 -9.214 -9.866 567 3HD2 LEU 72 HD22 LEU 72 51.890 -8.704 -11.326 568 H GLY 73 HN GLY 73 56.521 -5.750 -10.288 569 1HA GLY 73 HA2 GLY 73 57.728 -5.870 -7.828 570 2HA GLY 73 HA1 GLY 73 58.576 -5.265 -9.253 571 H ARG 74 HN ARG 74 56.681 -3.021 -9.546 572 HA ARG 74 HA ARG 74 56.502 -0.787 -8.854 573 1HB ARG 74 HB2 ARG 74 57.000 -2.047 -6.139 574 2HB ARG 74 HB1 ARG 74 56.478 -0.381 -6.396 575 1HG ARG 74 HG2 ARG 74 54.709 -1.914 -7.930 576 2HG ARG 74 HG1 ARG 74 54.900 -2.825 -6.431 577 1HD ARG 74 HD2 ARG 74 54.446 -0.713 -5.157 578 2HD ARG 74 HD1 ARG 74 54.105 0.089 -6.690 579 HE ARG 74 HE ARG 74 52.512 -2.249 -5.715 580 1HH1 ARG 74 HH12 ARG 74 51.550 -1.861 -8.270 581 2HH1 ARG 74 HH11 ARG 74 50.459 -0.518 -8.199 582 1HH2 ARG 74 HH21 ARG 74 51.672 0.650 -5.166 583 2HH2 ARG 74 HH22 ARG 74 50.528 0.903 -6.443 No H/Q in entry = 583 Start of MODEL 4 1 H MET 1 HN MET 1 54.261 -10.973 -9.699 2 HA MET 1 HA MET 1 55.155 -10.451 -7.558 3 1HB MET 1 HB2 MET 1 57.010 -9.301 -9.619 4 2HB MET 1 HB1 MET 1 57.366 -9.163 -7.896 5 1HG MET 1 HG2 MET 1 58.315 -11.215 -8.123 6 2HG MET 1 HG1 MET 1 56.654 -11.813 -8.120 7 1HE MET 1 HE3 MET 1 58.536 -13.396 -8.876 8 2HE MET 1 HE2 MET 1 57.906 -14.131 -10.348 9 3HE MET 1 HE1 MET 1 59.436 -13.261 -10.393 10 H LEU 2 HN LEU 2 53.138 -8.941 -7.340 11 HA LEU 2 HA LEU 2 53.689 -6.081 -7.478 12 1HB LEU 2 HB2 LEU 2 51.380 -7.237 -7.582 13 2HB LEU 2 HB1 LEU 2 51.522 -7.401 -5.836 14 HG LEU 2 HG LEU 2 52.125 -4.816 -5.988 15 1HD1 LEU 2 HD12 LEU 2 50.906 -5.515 -8.607 16 2HD1 LEU 2 HD11 LEU 2 50.297 -4.055 -7.830 17 3HD1 LEU 2 HD13 LEU 2 52.016 -4.208 -8.196 18 1HD2 LEU 2 HD21 LEU 2 50.012 -6.222 -5.080 19 2HD2 LEU 2 HD23 LEU 2 50.030 -4.459 -5.105 20 3HD2 LEU 2 HD22 LEU 2 49.221 -5.351 -6.394 21 H GLN 3 HN GLN 3 55.298 -8.116 -5.695 22 HA GLN 3 HA GLN 3 55.995 -6.308 -3.626 23 1HB GLN 3 HB2 GLN 3 54.921 -7.355 -1.679 24 2HB GLN 3 HB1 GLN 3 53.697 -6.779 -2.812 25 1HG GLN 3 HG2 GLN 3 53.471 -9.044 -3.745 26 2HG GLN 3 HG1 GLN 3 54.707 -9.633 -2.633 27 1HE2 GLN 3 HE22 GLN 3 52.412 -8.841 0.226 28 2HE2 GLN 3 HE21 GLN 3 53.942 -8.283 -0.257 29 H LYS 4 HN LYS 4 57.497 -7.918 -5.291 30 HA LYS 4 HA LYS 4 58.262 -10.332 -3.787 31 1HB LYS 4 HB2 LYS 4 58.172 -10.088 -6.378 32 2HB LYS 4 HB1 LYS 4 59.718 -9.259 -6.196 33 1HG LYS 4 HG2 LYS 4 59.268 -11.925 -4.877 34 2HG LYS 4 HG1 LYS 4 59.725 -11.840 -6.579 35 1HD LYS 4 HD2 LYS 4 61.868 -11.569 -5.953 36 2HD LYS 4 HD1 LYS 4 61.422 -10.038 -5.199 37 1HE LYS 4 HE2 LYS 4 62.473 -11.462 -3.524 38 2HE LYS 4 HE1 LYS 4 60.759 -11.299 -3.141 39 1HZ LYS 4 HZ3 LYS 4 60.967 -13.452 -4.858 40 2HZ LYS 4 HZ2 LYS 4 62.236 -13.637 -3.743 41 3HZ LYS 4 HZ1 LYS 4 60.634 -13.495 -3.194 42 H LYS 5 HN LYS 5 59.955 -7.403 -4.992 43 HA LYS 5 HA LYS 5 62.176 -7.908 -3.197 44 1HB LYS 5 HB2 LYS 5 62.978 -6.787 -5.038 45 2HB LYS 5 HB1 LYS 5 61.473 -5.905 -5.281 46 1HG LYS 5 HG2 LYS 5 63.212 -4.354 -4.583 47 2HG LYS 5 HG1 LYS 5 62.016 -4.504 -3.303 48 1HD LYS 5 HD2 LYS 5 63.670 -5.089 -1.891 49 2HD LYS 5 HD1 LYS 5 63.928 -6.539 -2.860 50 1HE LYS 5 HE2 LYS 5 66.031 -5.376 -2.781 51 2HE LYS 5 HE1 LYS 5 65.371 -5.132 -4.398 52 1HZ LYS 5 HZ2 LYS 5 64.407 -3.138 -2.647 53 2HZ LYS 5 HZ1 LYS 5 66.104 -3.189 -2.566 54 3HZ LYS 5 HZ3 LYS 5 65.332 -2.958 -4.060 55 H ILE 6 HN ILE 6 59.105 -6.561 -2.847 56 HA ILE 6 HA ILE 6 59.964 -4.807 -0.603 57 HB ILE 6 HB ILE 6 57.243 -5.161 -1.883 58 1HG1 ILE 6 HG12 ILE 6 59.239 -4.217 -3.234 59 2HG1 ILE 6 HG11 ILE 6 57.746 -3.266 -3.197 60 1HG2 ILE 6 HG23 ILE 6 57.324 -4.353 0.523 61 2HG2 ILE 6 HG22 ILE 6 58.229 -2.955 -0.051 62 3HG2 ILE 6 HG21 ILE 6 56.580 -3.230 -0.613 63 1HD1 ILE 6 HD12 ILE 6 59.642 -2.692 -1.003 64 2HD1 ILE 6 HD11 ILE 6 60.219 -2.261 -2.613 65 3HD1 ILE 6 HD13 ILE 6 58.709 -1.580 -2.006 66 H GLU 7 HN GLU 7 58.137 -7.735 -1.334 67 HA GLU 7 HA GLU 7 57.199 -8.057 1.415 68 1HB GLU 7 HB2 GLU 7 55.968 -9.120 -0.443 69 2HB GLU 7 HB1 GLU 7 57.400 -10.061 -0.861 70 1HG GLU 7 HG2 GLU 7 56.735 -11.634 0.596 71 2HG GLU 7 HG1 GLU 7 56.968 -10.472 1.902 72 H GLU 8 HN GLU 8 60.062 -8.671 -0.396 73 HA GLU 8 HA GLU 8 61.132 -10.745 1.328 74 1HB GLU 8 HB2 GLU 8 63.105 -10.574 0.010 75 2HB GLU 8 HB1 GLU 8 61.781 -10.260 -1.110 76 1HG GLU 8 HG2 GLU 8 62.146 -7.842 -0.944 77 2HG GLU 8 HG1 GLU 8 63.384 -8.104 0.300 78 H ILE 9 HN ILE 9 61.745 -7.233 0.974 79 HA ILE 9 HA ILE 9 63.565 -7.174 3.224 80 HB ILE 9 HB ILE 9 63.397 -5.517 1.241 81 1HG1 ILE 9 HG12 ILE 9 64.908 -5.211 3.162 82 2HG1 ILE 9 HG11 ILE 9 64.219 -3.666 2.663 83 1HG2 ILE 9 HG21 ILE 9 60.882 -5.167 1.839 84 2HG2 ILE 9 HG23 ILE 9 61.502 -4.056 3.061 85 3HG2 ILE 9 HG22 ILE 9 61.843 -3.771 1.354 86 1HD1 ILE 9 HD11 ILE 9 62.348 -4.385 4.445 87 2HD1 ILE 9 HD13 ILE 9 63.718 -5.257 5.131 88 3HD1 ILE 9 HD12 ILE 9 63.804 -3.509 4.917 89 H ALA 10 HN ALA 10 60.132 -6.618 2.744 90 HA ALA 10 HA ALA 10 59.559 -5.531 5.333 91 1HB ALA 10 HB2 ALA 10 58.037 -6.733 3.100 92 2HB ALA 10 HB1 ALA 10 57.283 -6.877 4.690 93 3HB ALA 10 HB3 ALA 10 57.688 -5.285 4.047 94 H ALA 11 HN ALA 11 59.383 -8.833 4.026 95 HA ALA 11 HA ALA 11 58.660 -10.089 6.488 96 1HB ALA 11 HB3 ALA 11 58.575 -11.089 4.134 97 2HB ALA 11 HB2 ALA 11 60.310 -11.366 4.302 98 3HB ALA 11 HB1 ALA 11 59.181 -12.150 5.407 99 H LYS 12 HN LYS 12 61.781 -9.143 5.086 100 HA LYS 12 HA LYS 12 63.192 -10.554 7.263 101 1HB LYS 12 HB2 LYS 12 65.189 -10.077 6.147 102 2HB LYS 12 HB1 LYS 12 64.041 -10.197 4.817 103 1HG LYS 12 HG2 LYS 12 64.728 -8.147 4.196 104 2HG LYS 12 HG1 LYS 12 63.875 -7.527 5.611 105 1HD LYS 12 HD2 LYS 12 66.008 -6.701 6.012 106 2HD LYS 12 HD1 LYS 12 66.111 -8.250 6.848 107 1HE LYS 12 HE2 LYS 12 67.119 -9.271 4.840 108 2HE LYS 12 HE1 LYS 12 67.016 -7.723 4.003 109 1HZ LYS 12 HZ1 LYS 12 68.545 -8.240 6.496 110 2HZ LYS 12 HZ3 LYS 12 69.213 -8.083 4.944 111 3HZ LYS 12 HZ2 LYS 12 68.451 -6.753 5.678 112 H TYR 13 HN TYR 13 61.398 -8.693 8.287 113 HA TYR 13 HA TYR 13 63.172 -6.474 9.181 114 1HB TYR 13 HB2 TYR 13 60.220 -6.736 8.843 115 2HB TYR 13 HB1 TYR 13 60.795 -5.738 10.172 116 HD1 TYR 13 HD1 TYR 13 63.332 -4.649 8.993 117 HD2 TYR 13 HD2 TYR 13 59.421 -5.159 7.289 118 HE1 TYR 13 HE1 TYR 13 63.784 -2.806 7.402 119 HE2 TYR 13 HE2 TYR 13 59.876 -3.316 5.701 120 HH TYR 13 HH TYR 13 63.057 -1.868 5.418 121 H LYS 14 HN LYS 14 63.376 -6.081 11.409 122 HA LYS 14 HA LYS 14 63.016 -8.476 13.096 123 1HB LYS 14 HB2 LYS 14 64.954 -6.463 12.951 124 2HB LYS 14 HB1 LYS 14 64.081 -6.123 14.446 125 1HG LYS 14 HG2 LYS 14 64.649 -8.168 15.403 126 2HG LYS 14 HG1 LYS 14 64.895 -8.947 13.839 127 1HD LYS 14 HD2 LYS 14 66.684 -6.658 14.491 128 2HD LYS 14 HD1 LYS 14 66.948 -8.154 15.389 129 1HE LYS 14 HE2 LYS 14 68.273 -7.979 13.241 130 2HE LYS 14 HE1 LYS 14 67.250 -9.410 13.353 131 1HZ LYS 14 HZ1 LYS 14 65.542 -8.182 12.095 132 2HZ LYS 14 HZ3 LYS 14 66.634 -6.899 11.897 133 3HZ LYS 14 HZ2 LYS 14 66.973 -8.416 11.211 134 H HIS 15 HN HIS 15 60.640 -6.972 12.260 135 HA HIS 15 HA HIS 15 59.342 -6.751 14.829 136 1HB HIS 15 HB2 HIS 15 60.675 -4.410 13.896 137 2HB HIS 15 HB1 HIS 15 58.942 -4.140 13.709 138 HD1 HIS 15 HD1 HIS 15 61.528 -3.857 16.169 139 HD2 HIS 15 HD2 HIS 15 57.516 -4.983 16.290 140 HE1 HIS 15 HE1 HIS 15 60.799 -3.649 18.585 141 H SER 16 HN SER 16 57.472 -7.734 14.220 142 HA SER 16 HA SER 16 56.364 -8.060 11.722 143 1HB SER 16 HB2 SER 16 54.075 -7.733 13.119 144 2HB SER 16 HB1 SER 16 55.087 -9.168 13.252 145 HG SER 16 HG SER 16 54.596 -8.239 15.295 146 H VAL 17 HN VAL 17 55.818 -5.146 13.768 147 HA VAL 17 HA VAL 17 53.956 -3.887 12.038 148 HB VAL 17 HB VAL 17 55.975 -2.371 13.685 149 1HG1 VAL 17 HG12 VAL 17 53.959 -1.466 12.155 150 2HG1 VAL 17 HG11 VAL 17 53.048 -1.808 13.626 151 3HG1 VAL 17 HG13 VAL 17 54.407 -0.685 13.672 152 1HG2 VAL 17 HG21 VAL 17 54.050 -4.401 14.561 153 2HG2 VAL 17 HG23 VAL 17 55.355 -3.631 15.464 154 3HG2 VAL 17 HG22 VAL 17 53.787 -2.836 15.329 155 H VAL 18 HN VAL 18 57.520 -3.779 12.049 156 HA VAL 18 HA VAL 18 57.904 -1.701 10.186 157 HB VAL 18 HB VAL 18 59.487 -4.279 10.099 158 1HG1 VAL 18 HG12 VAL 18 59.933 -2.398 8.479 159 2HG1 VAL 18 HG11 VAL 18 60.352 -1.397 9.870 160 3HG1 VAL 18 HG13 VAL 18 61.307 -2.830 9.498 161 1HG2 VAL 18 HG22 VAL 18 58.987 -2.825 12.434 162 2HG2 VAL 18 HG21 VAL 18 60.315 -3.951 12.162 163 3HG2 VAL 18 HG23 VAL 18 60.546 -2.234 11.873 164 H LYS 19 HN LYS 19 56.551 -4.859 9.784 165 HA LYS 19 HA LYS 19 56.935 -5.173 6.965 166 1HB LYS 19 HB2 LYS 19 55.981 -6.831 8.783 167 2HB LYS 19 HB1 LYS 19 54.431 -6.124 8.324 168 1HG LYS 19 HG2 LYS 19 54.821 -6.712 5.980 169 2HG LYS 19 HG1 LYS 19 56.415 -7.350 6.385 170 1HD LYS 19 HD2 LYS 19 54.140 -8.447 7.947 171 2HD LYS 19 HD1 LYS 19 54.203 -8.903 6.244 172 1HE LYS 19 HE2 LYS 19 56.373 -9.861 6.474 173 2HE LYS 19 HE1 LYS 19 56.615 -9.113 8.052 174 1HZ LYS 19 HZ1 LYS 19 54.794 -10.473 8.914 175 2HZ LYS 19 HZ3 LYS 19 54.628 -11.221 7.401 176 3HZ LYS 19 HZ2 LYS 19 56.054 -11.432 8.300 177 H LYS 20 HN LYS 20 54.219 -3.771 8.836 178 HA LYS 20 HA LYS 20 52.684 -2.990 6.548 179 1HB LYS 20 HB2 LYS 20 51.595 -3.028 8.690 180 2HB LYS 20 HB1 LYS 20 52.778 -1.917 9.376 181 1HG LYS 20 HG2 LYS 20 51.366 -0.242 8.827 182 2HG LYS 20 HG1 LYS 20 51.770 -0.556 7.137 183 1HD LYS 20 HD2 LYS 20 49.344 -0.637 7.424 184 2HD LYS 20 HD1 LYS 20 49.945 -2.254 7.054 185 1HE LYS 20 HE2 LYS 20 48.280 -2.196 8.943 186 2HE LYS 20 HE1 LYS 20 49.836 -2.898 9.385 187 1HZ LYS 20 HZ1 LYS 20 49.530 -0.020 9.737 188 2HZ LYS 20 HZ3 LYS 20 48.677 -1.016 10.812 189 3HZ LYS 20 HZ2 LYS 20 50.366 -1.150 10.692 190 H CYS 21 HN CYS 21 55.014 -1.213 8.570 191 HA CYS 21 HA CYS 21 54.906 1.296 7.348 192 1HB CYS 21 HB2 CYS 21 57.247 -0.257 8.475 193 2HB CYS 21 HB1 CYS 21 57.387 1.418 7.948 194 H CYS 22 HN CYS 22 56.873 -1.510 6.347 195 HA CYS 22 HA CYS 22 57.899 -0.187 3.988 196 1HB CYS 22 HB2 CYS 22 59.253 -1.968 4.634 197 2HB CYS 22 HB1 CYS 22 57.887 -2.997 5.051 198 H TYR 23 HN TYR 23 55.017 -1.991 4.783 199 HA TYR 23 HA TYR 23 54.197 -2.736 2.178 200 1HB TYR 23 HB2 TYR 23 52.967 -2.484 4.791 201 2HB TYR 23 HB1 TYR 23 51.858 -2.009 3.517 202 HD1 TYR 23 HD2 TYR 23 51.749 -3.552 1.416 203 HD2 TYR 23 HD1 TYR 23 53.276 -4.713 5.247 204 HE1 TYR 23 HE2 TYR 23 51.408 -5.938 0.823 205 HE2 TYR 23 HE1 TYR 23 52.942 -7.062 4.658 206 HH TYR 23 HH TYR 23 51.371 -8.041 1.634 207 H ASP 24 HN ASP 24 53.399 0.202 4.052 208 HA ASP 24 HA ASP 24 52.075 1.524 1.873 209 1HB ASP 24 HB2 ASP 24 53.489 3.081 4.006 210 2HB ASP 24 HB1 ASP 24 51.905 3.360 3.292 211 H GLY 25 HN GLY 25 55.397 1.832 3.202 212 1HA GLY 25 HA2 GLY 25 56.469 3.776 1.581 213 2HA GLY 25 HA1 GLY 25 57.378 2.319 2.003 214 H ALA 26 HN ALA 26 56.244 0.321 0.634 215 HA ALA 26 HA ALA 26 57.009 0.782 -2.093 216 1HB ALA 26 HB1 ALA 26 57.008 -1.450 -0.905 217 2HB ALA 26 HB3 ALA 26 55.251 -1.459 -1.061 218 3HB ALA 26 HB2 ALA 26 56.266 -1.475 -2.505 219 H CYS 27 HN CYS 27 53.880 0.771 -0.423 220 HA CYS 27 HA CYS 27 52.409 1.174 -2.943 221 1HB CYS 27 HB2 CYS 27 51.636 1.000 -0.034 222 2HB CYS 27 HB1 CYS 27 50.485 1.582 -1.237 223 HG CYS 27 HG CYS 27 51.808 -1.249 -1.448 224 H VAL 28 HN VAL 28 54.425 3.116 -1.459 225 HA VAL 28 HA VAL 28 53.574 5.467 -0.530 226 HB VAL 28 HB VAL 28 55.830 5.401 -1.212 227 1HG1 VAL 28 HG13 VAL 28 54.686 4.556 -3.862 228 2HG1 VAL 28 HG12 VAL 28 56.321 5.212 -3.767 229 3HG1 VAL 28 HG11 VAL 28 55.904 3.751 -2.872 230 1HG2 VAL 28 HG22 VAL 28 54.304 7.546 -1.961 231 2HG2 VAL 28 HG21 VAL 28 56.062 7.496 -2.099 232 3HG2 VAL 28 HG23 VAL 28 55.056 7.117 -3.497 233 H ASN 29 HN ASN 29 52.365 7.280 -1.187 234 HA ASN 29 HA ASN 29 50.665 6.856 -3.591 235 1HB ASN 29 HB2 ASN 29 50.003 7.628 -1.040 236 2HB ASN 29 HB1 ASN 29 50.110 9.182 -1.867 237 1HD2 ASN 29 HD22 ASN 29 47.164 8.674 -3.752 238 2HD2 ASN 29 HD21 ASN 29 48.466 9.704 -3.400 239 H ASN 30 HN ASN 30 52.894 9.199 -2.134 240 HA ASN 30 HA ASN 30 52.662 10.929 -4.533 241 1HB ASN 30 HB2 ASN 30 52.785 11.778 -2.084 242 2HB ASN 30 HB1 ASN 30 54.507 11.410 -2.197 243 1HD2 ASN 30 HD22 ASN 30 53.143 14.187 -4.913 244 2HD2 ASN 30 HD21 ASN 30 52.219 12.793 -4.622 245 H ASP 31 HN ASP 31 54.482 11.370 -5.874 246 HA ASP 31 HA ASP 31 56.138 9.241 -6.590 247 1HB ASP 31 HB2 ASP 31 55.965 11.135 -8.058 248 2HB ASP 31 HB1 ASP 31 56.609 12.223 -6.828 249 H GLU 32 HN GLU 32 57.491 12.117 -4.966 250 HA GLU 32 HA GLU 32 59.617 10.426 -3.827 251 1HB GLU 32 HB2 GLU 32 59.139 13.355 -4.123 252 2HB GLU 32 HB1 GLU 32 60.186 12.826 -2.804 253 1HG GLU 32 HG2 GLU 32 61.857 12.251 -4.219 254 2HG GLU 32 HG1 GLU 32 60.747 11.450 -5.332 255 H THR 33 HN THR 33 58.593 13.118 -1.884 256 HA THR 33 HA THR 33 58.564 11.937 0.569 257 HB THR 33 HB THR 33 56.554 13.533 1.084 258 HG1 THR 33 HG1 THR 33 55.739 13.887 -0.897 259 1HG2 THR 33 HG23 THR 33 59.296 14.292 0.105 260 2HG2 THR 33 HG22 THR 33 58.167 15.528 0.659 261 3HG2 THR 33 HG21 THR 33 58.684 14.251 1.759 262 H CYS 34 HN CYS 34 57.864 9.768 0.479 263 HA CYS 34 HA CYS 34 55.184 9.055 -0.383 264 1HB CYS 34 HB2 CYS 34 56.005 7.074 1.459 265 2HB CYS 34 HB1 CYS 34 56.043 6.979 -0.289 266 H GLU 35 HN GLU 35 56.180 8.163 2.893 267 HA GLU 35 HA GLU 35 53.634 8.828 3.994 268 1HB GLU 35 HB2 GLU 35 55.948 7.621 4.954 269 2HB GLU 35 HB1 GLU 35 55.818 9.090 5.920 270 1HG GLU 35 HG2 GLU 35 53.672 6.996 5.524 271 2HG GLU 35 HG1 GLU 35 54.585 7.276 7.002 272 H GLN 36 HN GLN 36 56.595 10.617 3.514 273 HA GLN 36 HA GLN 36 56.108 12.931 5.051 274 1HB GLN 36 HB2 GLN 36 57.441 12.507 2.367 275 2HB GLN 36 HB1 GLN 36 57.314 14.117 3.079 276 1HG GLN 36 HG2 GLN 36 58.265 12.825 5.220 277 2HG GLN 36 HG1 GLN 36 58.926 11.768 3.971 278 1HE2 GLN 36 HE22 GLN 36 60.503 15.473 4.515 279 2HE2 GLN 36 HE21 GLN 36 59.194 14.930 5.450 280 H ARG 37 HN ARG 37 54.974 12.008 1.799 281 HA ARG 37 HA ARG 37 53.372 14.382 1.413 282 1HB ARG 37 HB2 ARG 37 53.941 12.954 -0.501 283 2HB ARG 37 HB1 ARG 37 53.089 11.595 0.234 284 1HG ARG 37 HG2 ARG 37 51.406 13.969 0.097 285 2HG ARG 37 HG1 ARG 37 51.984 13.487 -1.499 286 1HD ARG 37 HD2 ARG 37 51.220 11.156 -1.029 287 2HD ARG 37 HD1 ARG 37 50.548 11.718 0.502 288 HE ARG 37 HE ARG 37 49.581 13.225 -1.805 289 1HH1 ARG 37 HH12 ARG 37 49.297 10.253 -0.093 290 2HH1 ARG 37 HH11 ARG 37 47.581 10.139 -0.306 291 1HH2 ARG 37 HH21 ARG 37 47.316 13.172 -1.962 292 2HH2 ARG 37 HH22 ARG 37 46.460 11.791 -1.363 293 H ALA 38 HN ALA 38 52.899 11.231 2.924 294 HA ALA 38 HA ALA 38 50.160 11.102 3.356 295 1HB ALA 38 HB1 ALA 38 52.053 9.599 4.327 296 2HB ALA 38 HB3 ALA 38 52.069 10.742 5.667 297 3HB ALA 38 HB2 ALA 38 50.609 9.825 5.307 298 H ALA 39 HN ALA 39 52.385 12.634 5.652 299 HA ALA 39 HA ALA 39 51.114 15.163 5.764 300 1HB ALA 39 HB3 ALA 39 49.711 13.040 7.225 301 2HB ALA 39 HB2 ALA 39 50.153 14.404 8.254 302 3HB ALA 39 HB1 ALA 39 49.165 14.666 6.816 303 H ARG 40 HN ARG 40 52.511 12.582 7.670 304 HA ARG 40 HA ARG 40 54.935 13.925 8.275 305 1HB ARG 40 HB2 ARG 40 52.728 14.777 9.900 306 2HB ARG 40 HB1 ARG 40 53.843 13.843 10.900 307 1HG ARG 40 HG2 ARG 40 55.532 15.416 9.356 308 2HG ARG 40 HG1 ARG 40 54.190 16.497 9.728 309 1HD ARG 40 HD2 ARG 40 54.834 15.002 12.087 310 2HD ARG 40 HD1 ARG 40 56.317 15.708 11.446 311 HE ARG 40 HE ARG 40 55.511 17.752 12.268 312 1HH1 ARG 40 HH21 ARG 40 52.994 15.601 12.645 313 2HH1 ARG 40 HH22 ARG 40 51.724 16.765 12.466 314 1HH2 ARG 40 HH12 ARG 40 53.844 19.315 11.458 315 2HH2 ARG 40 HH11 ARG 40 52.205 18.867 11.792 316 H ILE 41 HN ILE 41 56.135 12.074 8.357 317 HA ILE 41 HA ILE 41 55.089 9.525 8.968 318 HB ILE 41 HB ILE 41 57.315 9.900 7.872 319 1HG1 ILE 41 HG12 ILE 41 58.387 7.987 9.061 320 2HG1 ILE 41 HG11 ILE 41 57.187 8.162 10.343 321 1HG2 ILE 41 HG22 ILE 41 57.807 11.462 10.122 322 2HG2 ILE 41 HG21 ILE 41 58.763 10.006 10.401 323 3HG2 ILE 41 HG23 ILE 41 59.006 10.952 8.933 324 1HD1 ILE 41 HD13 ILE 41 56.256 7.938 7.499 325 2HD1 ILE 41 HD12 ILE 41 56.727 6.478 8.369 326 3HD1 ILE 41 HD11 ILE 41 55.418 7.487 8.984 327 H SER 42 HN SER 42 53.808 9.577 10.760 328 HA SER 42 HA SER 42 55.351 9.630 13.258 329 1HB SER 42 HB2 SER 42 53.923 11.071 14.378 330 2HB SER 42 HB1 SER 42 53.947 11.793 12.767 331 HG SER 42 HG SER 42 52.089 10.152 12.490 332 H LEU 43 HN LEU 43 54.859 7.356 12.057 333 HA LEU 43 HA LEU 43 52.559 6.293 13.581 334 1HB LEU 43 HB2 LEU 43 53.769 5.440 10.954 335 2HB LEU 43 HB1 LEU 43 52.807 4.312 11.910 336 HG LEU 43 HG LEU 43 51.356 6.740 11.853 337 1HD1 LEU 43 HD11 LEU 43 53.052 6.754 9.672 338 2HD1 LEU 43 HD13 LEU 43 51.587 6.024 9.014 339 3HD1 LEU 43 HD12 LEU 43 51.516 7.616 9.770 340 1HD2 LEU 43 HD23 LEU 43 51.020 3.962 11.331 341 2HD2 LEU 43 HD22 LEU 43 49.760 5.174 11.567 342 3HD2 LEU 43 HD21 LEU 43 50.362 4.832 9.945 343 H GLY 44 HN GLY 44 55.903 6.458 13.353 344 1HA GLY 44 HA2 GLY 44 56.606 5.106 15.618 345 2HA GLY 44 HA1 GLY 44 56.450 3.785 14.459 346 HA PRO 45 HA PRO 45 60.709 5.841 13.999 347 1HB PRO 45 HB2 PRO 45 62.164 3.961 15.307 348 2HB PRO 45 HB1 PRO 45 61.441 5.350 16.127 349 1HG PRO 45 HG2 PRO 45 60.619 2.510 16.178 350 2HG PRO 45 HG1 PRO 45 60.439 3.764 17.414 351 1HD PRO 45 HD2 PRO 45 58.432 2.841 15.703 352 2HD PRO 45 HD1 PRO 45 58.362 4.305 16.686 353 H ARG 46 HN ARG 46 60.545 2.281 14.328 354 HA ARG 46 HA ARG 46 62.169 1.559 12.203 355 1HB ARG 46 HB2 ARG 46 61.156 -0.558 12.262 356 2HB ARG 46 HB1 ARG 46 60.852 0.076 13.875 357 1HG ARG 46 HG2 ARG 46 58.843 0.420 11.639 358 2HG ARG 46 HG1 ARG 46 58.861 -1.010 12.662 359 1HD ARG 46 HD2 ARG 46 58.817 1.754 13.861 360 2HD ARG 46 HD1 ARG 46 57.331 0.940 13.380 361 HE ARG 46 HE ARG 46 58.784 -0.885 14.975 362 1HH1 ARG 46 HH12 ARG 46 56.038 0.766 15.229 363 2HH1 ARG 46 HH11 ARG 46 56.189 1.242 16.887 364 1HH2 ARG 46 HH21 ARG 46 59.529 0.341 17.119 365 2HH2 ARG 46 HH22 ARG 46 58.164 1.000 17.958 366 H CYS 47 HN CYS 47 58.973 2.909 12.098 367 HA CYS 47 HA CYS 47 58.222 2.266 9.410 368 1HB CYS 47 HB2 CYS 47 57.197 3.801 11.539 369 2HB CYS 47 HB1 CYS 47 57.416 4.934 10.198 370 H ILE 48 HN ILE 48 59.544 5.330 10.654 371 HA ILE 48 HA ILE 48 59.841 6.791 8.407 372 HB ILE 48 HB ILE 48 61.637 6.429 10.770 373 1HG1 ILE 48 HG12 ILE 48 61.078 8.864 10.996 374 2HG1 ILE 48 HG11 ILE 48 60.101 8.735 9.534 375 1HG2 ILE 48 HG21 ILE 48 62.326 7.885 8.228 376 2HG2 ILE 48 HG23 ILE 48 62.954 8.424 9.785 377 3HG2 ILE 48 HG22 ILE 48 63.339 6.809 9.190 378 1HD1 ILE 48 HD11 ILE 48 58.730 6.979 10.631 379 2HD1 ILE 48 HD13 ILE 48 59.677 7.184 12.104 380 3HD1 ILE 48 HD12 ILE 48 58.673 8.506 11.509 381 H LYS 49 HN LYS 49 62.527 4.586 9.351 382 HA LYS 49 HA LYS 49 63.598 4.730 6.639 383 1HB LYS 49 HB2 LYS 49 64.433 3.501 9.225 384 2HB LYS 49 HB1 LYS 49 65.119 2.841 7.740 385 1HG LYS 49 HG2 LYS 49 66.410 4.669 7.396 386 2HG LYS 49 HG1 LYS 49 65.090 5.774 7.780 387 1HD LYS 49 HD2 LYS 49 66.687 6.137 9.497 388 2HD LYS 49 HD1 LYS 49 65.469 5.097 10.237 389 1HE LYS 49 HE2 LYS 49 66.924 3.378 10.477 390 2HE LYS 49 HE1 LYS 49 67.581 3.599 8.855 391 1HZ LYS 49 HZ1 LYS 49 68.234 5.647 10.816 392 2HZ LYS 49 HZ3 LYS 49 68.957 4.130 11.048 393 3HZ LYS 49 HZ2 LYS 49 69.194 4.969 9.589 394 H ALA 50 HN ALA 50 61.398 2.592 8.271 395 HA ALA 50 HA ALA 50 61.984 0.300 6.602 396 1HB ALA 50 HB2 ALA 50 59.528 0.972 8.253 397 2HB ALA 50 HB1 ALA 50 59.830 -0.587 7.484 398 3HB ALA 50 HB3 ALA 50 60.889 -0.020 8.774 399 H PHE 51 HN PHE 51 59.143 2.417 6.800 400 HA PHE 51 HA PHE 51 58.161 1.714 4.261 401 1HB PHE 51 HB2 PHE 51 56.492 3.217 4.680 402 2HB PHE 51 HB1 PHE 51 57.118 3.115 6.315 403 HD1 PHE 51 HD2 PHE 51 57.418 5.080 3.132 404 HD2 PHE 51 HD1 PHE 51 57.964 5.029 7.377 405 HE1 PHE 51 HE2 PHE 51 57.938 7.509 3.103 406 HE2 PHE 51 HE1 PHE 51 58.479 7.443 7.352 407 HZ PHE 51 HZ PHE 51 58.463 8.688 5.227 408 H THR 52 HN THR 52 60.173 4.454 5.333 409 HA THR 52 HA THR 52 60.306 5.731 2.815 410 HB THR 52 HB THR 52 62.417 5.568 4.982 411 HG1 THR 52 HG1 THR 52 61.566 7.579 5.528 412 1HG2 THR 52 HG22 THR 52 63.262 6.160 2.659 413 2HG2 THR 52 HG21 THR 52 62.225 7.584 2.738 414 3HG2 THR 52 HG23 THR 52 63.538 7.383 3.898 415 H GLU 53 HN GLU 53 62.233 3.095 4.150 416 HA GLU 53 HA GLU 53 64.071 2.863 1.975 417 1HB GLU 53 HB2 GLU 53 64.669 1.938 4.092 418 2HB GLU 53 HB1 GLU 53 63.198 0.969 4.127 419 1HG GLU 53 HG2 GLU 53 65.138 -0.420 3.498 420 2HG GLU 53 HG1 GLU 53 63.985 -0.310 2.167 421 H CYS 54 HN CYS 54 60.915 1.381 2.607 422 HA CYS 54 HA CYS 54 61.184 -0.437 0.319 423 1HB CYS 54 HB2 CYS 54 59.230 0.012 2.487 424 2HB CYS 54 HB1 CYS 54 58.523 -0.464 0.939 425 H CYS 55 HN CYS 55 60.020 2.708 1.000 426 HA CYS 55 HA CYS 55 58.390 2.928 -1.418 427 1HB CYS 55 HB2 CYS 55 57.502 4.354 0.163 428 2HB CYS 55 HB1 CYS 55 59.038 4.582 0.967 429 H VAL 56 HN VAL 56 61.634 3.626 -0.325 430 HA VAL 56 HA VAL 56 62.340 5.186 -2.706 431 HB VAL 56 HB VAL 56 64.134 3.872 -0.631 432 1HG1 VAL 56 HG13 VAL 56 64.635 5.284 -3.086 433 2HG1 VAL 56 HG12 VAL 56 65.274 6.212 -1.729 434 3HG1 VAL 56 HG11 VAL 56 65.791 4.545 -1.979 435 1HG2 VAL 56 HG23 VAL 56 62.308 5.876 -0.148 436 2HG2 VAL 56 HG22 VAL 56 63.784 5.614 0.778 437 3HG2 VAL 56 HG21 VAL 56 63.765 6.791 -0.535 438 H VAL 57 HN VAL 57 62.978 1.922 -1.439 439 HA VAL 57 HA VAL 57 64.474 1.067 -3.729 440 HB VAL 57 HB VAL 57 63.983 -1.203 -2.945 441 1HG1 VAL 57 HG13 VAL 57 64.927 0.936 -1.166 442 2HG1 VAL 57 HG12 VAL 57 64.375 -0.499 -0.302 443 3HG1 VAL 57 HG11 VAL 57 65.653 -0.635 -1.512 444 1HG2 VAL 57 HG22 VAL 57 61.920 0.234 -1.272 445 2HG2 VAL 57 HG21 VAL 57 61.668 -1.093 -2.404 446 3HG2 VAL 57 HG23 VAL 57 62.486 -1.387 -0.870 447 H ALA 58 HN ALA 58 61.098 1.063 -2.749 448 HA ALA 58 HA ALA 58 60.058 -0.198 -5.109 449 1HB ALA 58 HB2 ALA 58 58.824 1.762 -3.150 450 2HB ALA 58 HB1 ALA 58 57.917 0.941 -4.420 451 3HB ALA 58 HB3 ALA 58 58.658 0.006 -3.120 452 H SER 59 HN SER 59 61.174 2.934 -4.223 453 HA SER 59 HA SER 59 59.966 4.514 -6.263 454 1HB SER 59 HB2 SER 59 61.270 5.215 -4.151 455 2HB SER 59 HB1 SER 59 62.697 5.076 -5.171 456 HG SER 59 HG SER 59 61.765 7.188 -5.194 457 H GLN 60 HN GLN 60 63.046 2.787 -6.093 458 HA GLN 60 HA GLN 60 63.844 3.547 -8.795 459 1HB GLN 60 HB2 GLN 60 65.043 2.340 -6.492 460 2HB GLN 60 HB1 GLN 60 65.268 1.271 -7.880 461 1HG GLN 60 HG2 GLN 60 66.462 2.876 -9.087 462 2HG GLN 60 HG1 GLN 60 65.736 4.216 -8.196 463 1HE2 GLN 60 HE22 GLN 60 68.033 3.949 -5.441 464 2HE2 GLN 60 HE21 GLN 60 66.463 4.446 -5.851 465 H LEU 61 HN LEU 61 62.137 0.940 -7.272 466 HA LEU 61 HA LEU 61 62.418 -0.948 -9.448 467 1HB LEU 61 HB2 LEU 61 60.570 -0.712 -7.071 468 2HB LEU 61 HB1 LEU 61 60.443 -2.036 -8.220 469 HG LEU 61 HG LEU 61 62.730 -1.362 -6.403 470 1HD1 LEU 61 HD13 LEU 61 60.562 -3.168 -6.279 471 2HD1 LEU 61 HD12 LEU 61 61.992 -4.145 -6.612 472 3HD1 LEU 61 HD11 LEU 61 61.952 -3.097 -5.194 473 1HD2 LEU 61 HD23 LEU 61 62.693 -2.939 -8.954 474 2HD2 LEU 61 HD22 LEU 61 63.943 -1.862 -8.332 475 3HD2 LEU 61 HD21 LEU 61 63.737 -3.469 -7.634 476 H ARG 62 HN ARG 62 60.231 1.637 -8.560 477 HA ARG 62 HA ARG 62 58.512 0.991 -10.875 478 1HB ARG 62 HB2 ARG 62 56.864 2.434 -9.942 479 2HB ARG 62 HB1 ARG 62 57.523 1.521 -8.587 480 1HG ARG 62 HG2 ARG 62 58.863 3.363 -7.877 481 2HG ARG 62 HG1 ARG 62 58.582 4.242 -9.376 482 1HD ARG 62 HD2 ARG 62 56.857 5.263 -8.348 483 2HD ARG 62 HD1 ARG 62 56.020 3.713 -8.387 484 HE ARG 62 HE ARG 62 56.453 3.470 -6.072 485 1HH1 ARG 62 HH21 ARG 62 57.349 6.539 -7.107 486 2HH1 ARG 62 HH22 ARG 62 58.394 6.875 -5.769 487 1HH2 ARG 62 HH12 ARG 62 58.242 3.657 -4.492 488 2HH2 ARG 62 HH11 ARG 62 58.896 5.248 -4.289 489 H ALA 63 HN ALA 63 61.101 3.117 -10.023 490 HA ALA 63 HA ALA 63 60.317 5.025 -12.165 491 1HB ALA 63 HB3 ALA 63 62.402 5.107 -9.976 492 2HB ALA 63 HB2 ALA 63 62.378 6.276 -11.296 493 3HB ALA 63 HB1 ALA 63 61.009 6.168 -10.190 494 H ASN 64 HN ASN 64 62.149 2.228 -11.724 495 HA ASN 64 HA ASN 64 64.087 2.972 -13.858 496 1HB ASN 64 HB2 ASN 64 65.029 1.936 -11.829 497 2HB ASN 64 HB1 ASN 64 63.984 0.533 -12.056 498 1HD2 ASN 64 HD22 ASN 64 67.378 -0.080 -13.628 499 2HD2 ASN 64 HD21 ASN 64 66.909 0.425 -12.078 500 H ILE 65 HN ILE 65 61.488 0.683 -13.096 501 HA ILE 65 HA ILE 65 61.622 -0.260 -15.932 502 HB ILE 65 HB ILE 65 59.920 -1.830 -14.129 503 1HG1 ILE 65 HG12 ILE 65 61.678 -1.145 -12.506 504 2HG1 ILE 65 HG11 ILE 65 61.766 -2.868 -12.878 505 1HG2 ILE 65 HG22 ILE 65 62.181 -2.352 -16.064 506 2HG2 ILE 65 HG21 ILE 65 61.433 -3.643 -15.124 507 3HG2 ILE 65 HG23 ILE 65 60.467 -2.713 -16.270 508 1HD1 ILE 65 HD12 ILE 65 63.377 -1.823 -14.826 509 2HD1 ILE 65 HD11 ILE 65 63.683 -0.708 -13.495 510 3HD1 ILE 65 HD13 ILE 65 63.964 -2.435 -13.280 511 H SER 66 HN SER 66 58.965 -1.414 -15.841 512 HA SER 66 HA SER 66 56.956 0.435 -15.055 513 1HB SER 66 HB2 SER 66 56.446 1.396 -17.340 514 2HB SER 66 HB1 SER 66 57.915 2.017 -16.594 515 HG SER 66 HG SER 66 58.966 1.239 -18.227 516 H HIS 67 HN HIS 67 57.472 -2.461 -15.402 517 HA HIS 67 HA HIS 67 54.947 -3.107 -16.822 518 1HB HIS 67 HB2 HIS 67 57.522 -3.614 -17.912 519 2HB HIS 67 HB1 HIS 67 56.871 -5.165 -17.387 520 HD1 HIS 67 HD1 HIS 67 57.130 -4.383 -20.422 521 HD2 HIS 67 HD2 HIS 67 53.654 -3.986 -18.154 522 HE1 HIS 67 HE1 HIS 67 55.201 -4.367 -22.063 523 H LYS 68 HN LYS 68 55.388 -5.969 -16.577 524 HA LYS 68 HA LYS 68 54.291 -6.651 -14.177 525 1HB LYS 68 HB2 LYS 68 56.523 -8.096 -15.629 526 2HB LYS 68 HB1 LYS 68 55.632 -8.802 -14.279 527 1HG LYS 68 HG2 LYS 68 53.533 -8.598 -15.492 528 2HG LYS 68 HG1 LYS 68 54.339 -7.748 -16.810 529 1HD LYS 68 HD2 LYS 68 55.868 -9.960 -16.747 530 2HD LYS 68 HD1 LYS 68 54.364 -10.646 -16.131 531 1HE LYS 68 HE2 LYS 68 54.616 -10.728 -18.654 532 2HE LYS 68 HE1 LYS 68 53.147 -9.938 -18.081 533 1HZ LYS 68 HZ1 LYS 68 55.539 -8.298 -18.500 534 2HZ LYS 68 HZ3 LYS 68 54.676 -8.816 -19.866 535 3HZ LYS 68 HZ2 LYS 68 53.899 -7.887 -18.673 536 H ASP 69 HN ASP 69 57.756 -6.024 -14.654 537 HA ASP 69 HA ASP 69 58.544 -6.528 -11.962 538 1HB ASP 69 HB2 ASP 69 59.920 -6.057 -14.244 539 2HB ASP 69 HB1 ASP 69 59.996 -4.451 -13.520 540 H MET 70 HN MET 70 57.993 -3.440 -13.703 541 HA MET 70 HA MET 70 57.995 -1.872 -11.267 542 1HB MET 70 HB2 MET 70 58.558 -0.816 -13.386 543 2HB MET 70 HB1 MET 70 56.988 -1.253 -14.059 544 1HG MET 70 HG2 MET 70 56.930 0.266 -11.520 545 2HG MET 70 HG1 MET 70 57.489 1.156 -12.934 546 1HE MET 70 HE2 MET 70 54.856 1.344 -10.960 547 2HE MET 70 HE1 MET 70 53.367 0.697 -11.643 548 3HE MET 70 HE3 MET 70 54.606 -0.399 -11.014 549 H GLN 71 HN GLN 71 55.285 -2.308 -13.577 550 HA GLN 71 HA GLN 71 53.187 -1.464 -12.018 551 1HB GLN 71 HB2 GLN 71 52.842 -2.301 -14.285 552 2HB GLN 71 HB1 GLN 71 53.232 -3.941 -13.767 553 1HG GLN 71 HG2 GLN 71 50.847 -3.832 -13.809 554 2HG GLN 71 HG1 GLN 71 51.299 -3.725 -12.106 555 1HE2 GLN 71 HE22 GLN 71 49.596 -0.500 -13.951 556 2HE2 GLN 71 HE21 GLN 71 50.083 -1.846 -14.864 557 H LEU 72 HN LEU 72 54.784 -4.659 -11.767 558 HA LEU 72 HA LEU 72 53.147 -5.182 -9.313 559 1HB LEU 72 HB2 LEU 72 54.134 -6.836 -11.482 560 2HB LEU 72 HB1 LEU 72 54.650 -7.470 -9.921 561 HG LEU 72 HG LEU 72 52.273 -7.255 -9.151 562 1HD1 LEU 72 HD13 LEU 72 52.116 -6.092 -11.856 563 2HD1 LEU 72 HD12 LEU 72 50.811 -7.206 -11.450 564 3HD1 LEU 72 HD11 LEU 72 51.109 -5.789 -10.443 565 1HD2 LEU 72 HD23 LEU 72 53.330 -9.097 -11.177 566 2HD2 LEU 72 HD22 LEU 72 52.426 -9.453 -9.705 567 3HD2 LEU 72 HD21 LEU 72 51.568 -9.008 -11.181 568 H GLY 73 HN GLY 73 56.388 -6.250 -10.264 569 1HA GLY 73 HA2 GLY 73 57.601 -6.445 -7.817 570 2HA GLY 73 HA1 GLY 73 58.470 -5.872 -9.242 571 H ARG 74 HN ARG 74 56.734 -3.544 -9.538 572 HA ARG 74 HA ARG 74 57.289 -1.254 -9.047 573 1HB ARG 74 HB2 ARG 74 55.900 -0.598 -7.088 574 2HB ARG 74 HB1 ARG 74 55.051 -1.678 -8.193 575 1HG ARG 74 HG2 ARG 74 54.732 -3.154 -6.531 576 2HG ARG 74 HG1 ARG 74 56.473 -3.275 -6.285 577 1HD ARG 74 HD2 ARG 74 55.257 -2.525 -4.234 578 2HD ARG 74 HD1 ARG 74 56.441 -1.346 -4.797 579 HE ARG 74 HE ARG 74 54.651 0.105 -5.417 580 1HH1 ARG 74 HH21 ARG 74 52.501 -0.478 -6.660 581 2HH1 ARG 74 HH22 ARG 74 51.312 -1.151 -5.596 582 1HH2 ARG 74 HH12 ARG 74 53.586 -1.866 -3.077 583 2HH2 ARG 74 HH11 ARG 74 51.926 -1.936 -3.567 No H/Q in entry = 583 Start of MODEL 5 1 H MET 1 HN MET 1 54.862 -10.741 -9.969 2 HA MET 1 HA MET 1 55.676 -10.313 -7.792 3 1HB MET 1 HB2 MET 1 57.513 -8.874 -9.669 4 2HB MET 1 HB1 MET 1 57.740 -8.742 -7.923 5 1HG MET 1 HG2 MET 1 59.059 -10.607 -8.442 6 2HG MET 1 HG1 MET 1 57.536 -11.354 -7.963 7 1HE MET 1 HE3 MET 1 58.518 -13.193 -8.772 8 2HE MET 1 HE2 MET 1 57.467 -13.831 -10.033 9 3HE MET 1 HE1 MET 1 59.162 -13.511 -10.388 10 H LEU 2 HN LEU 2 53.509 -9.024 -7.578 11 HA LEU 2 HA LEU 2 53.718 -6.132 -7.530 12 1HB LEU 2 HB2 LEU 2 51.565 -7.531 -7.701 13 2HB LEU 2 HB1 LEU 2 51.737 -7.795 -5.968 14 HG LEU 2 HG LEU 2 51.972 -5.205 -5.831 15 1HD1 LEU 2 HD12 LEU 2 51.142 -5.687 -8.646 16 2HD1 LEU 2 HD11 LEU 2 50.315 -4.382 -7.797 17 3HD1 LEU 2 HD13 LEU 2 52.070 -4.353 -7.959 18 1HD2 LEU 2 HD21 LEU 2 49.873 -6.953 -5.494 19 2HD2 LEU 2 HD23 LEU 2 49.822 -5.237 -5.086 20 3HD2 LEU 2 HD22 LEU 2 49.198 -5.794 -6.640 21 H GLN 3 HN GLN 3 55.406 -8.234 -5.766 22 HA GLN 3 HA GLN 3 56.113 -6.438 -3.694 23 1HB GLN 3 HB2 GLN 3 54.957 -7.308 -1.763 24 2HB GLN 3 HB1 GLN 3 53.732 -6.946 -2.978 25 1HG GLN 3 HG2 GLN 3 54.663 -9.610 -3.430 26 2HG GLN 3 HG1 GLN 3 54.258 -9.449 -1.720 27 1HE2 GLN 3 HE22 GLN 3 50.827 -9.707 -2.417 28 2HE2 GLN 3 HE21 GLN 3 52.118 -10.032 -1.363 29 H LYS 4 HN LYS 4 57.775 -7.905 -5.161 30 HA LYS 4 HA LYS 4 58.367 -10.414 -3.691 31 1HB LYS 4 HB2 LYS 4 58.514 -9.722 -6.392 32 2HB LYS 4 HB1 LYS 4 60.196 -9.761 -5.862 33 1HG LYS 4 HG2 LYS 4 58.230 -11.977 -5.243 34 2HG LYS 4 HG1 LYS 4 59.262 -11.985 -6.673 35 1HD LYS 4 HD2 LYS 4 60.690 -13.091 -5.261 36 2HD LYS 4 HD1 LYS 4 61.124 -11.446 -4.796 37 1HE LYS 4 HE2 LYS 4 60.601 -13.006 -2.861 38 2HE LYS 4 HE1 LYS 4 59.672 -11.508 -2.887 39 1HZ LYS 4 HZ3 LYS 4 58.483 -13.686 -4.365 40 2HZ LYS 4 HZ2 LYS 4 58.603 -13.963 -2.693 41 3HZ LYS 4 HZ1 LYS 4 57.773 -12.598 -3.273 42 H LYS 5 HN LYS 5 60.174 -7.511 -4.819 43 HA LYS 5 HA LYS 5 62.377 -8.154 -3.026 44 1HB LYS 5 HB2 LYS 5 63.546 -6.633 -4.267 45 2HB LYS 5 HB1 LYS 5 62.183 -6.781 -5.373 46 1HG LYS 5 HG2 LYS 5 61.107 -4.843 -4.401 47 2HG LYS 5 HG1 LYS 5 62.355 -4.722 -3.169 48 1HD LYS 5 HD2 LYS 5 62.676 -4.311 -6.149 49 2HD LYS 5 HD1 LYS 5 62.912 -3.117 -4.871 50 1HE LYS 5 HE2 LYS 5 65.105 -3.707 -5.061 51 2HE LYS 5 HE1 LYS 5 64.626 -5.078 -4.060 52 1HZ LYS 5 HZ1 LYS 5 64.078 -6.236 -6.210 53 2HZ LYS 5 HZ3 LYS 5 64.892 -4.980 -7.008 54 3HZ LYS 5 HZ2 LYS 5 65.730 -5.973 -5.913 55 H ILE 6 HN ILE 6 59.448 -6.392 -2.846 56 HA ILE 6 HA ILE 6 60.389 -4.795 -0.534 57 HB ILE 6 HB ILE 6 57.608 -4.761 -1.680 58 1HG1 ILE 6 HG12 ILE 6 59.525 -4.596 -3.454 59 2HG1 ILE 6 HG11 ILE 6 58.267 -3.350 -3.452 60 1HG2 ILE 6 HG21 ILE 6 59.282 -3.120 0.111 61 2HG2 ILE 6 HG23 ILE 6 58.381 -2.199 -1.091 62 3HG2 ILE 6 HG22 ILE 6 57.528 -3.262 0.028 63 1HD1 ILE 6 HD11 ILE 6 60.962 -3.102 -2.082 64 2HD1 ILE 6 HD13 ILE 6 60.537 -2.365 -3.628 65 3HD1 ILE 6 HD12 ILE 6 59.716 -1.855 -2.152 66 H GLU 7 HN GLU 7 58.227 -7.469 -1.336 67 HA GLU 7 HA GLU 7 57.051 -7.586 1.332 68 1HB GLU 7 HB2 GLU 7 55.978 -8.543 -0.760 69 2HB GLU 7 HB1 GLU 7 57.213 -9.802 -0.732 70 1HG GLU 7 HG2 GLU 7 55.731 -10.928 0.566 71 2HG GLU 7 HG1 GLU 7 56.320 -9.874 1.853 72 H GLU 8 HN GLU 8 59.885 -8.736 -0.281 73 HA GLU 8 HA GLU 8 60.564 -10.796 1.646 74 1HB GLU 8 HB2 GLU 8 62.653 -10.938 0.464 75 2HB GLU 8 HB1 GLU 8 61.412 -10.640 -0.755 76 1HG GLU 8 HG2 GLU 8 61.941 -8.221 -0.714 77 2HG GLU 8 HG1 GLU 8 63.188 -8.532 0.509 78 H ILE 9 HN ILE 9 61.592 -7.427 1.079 79 HA ILE 9 HA ILE 9 63.380 -7.356 3.335 80 HB ILE 9 HB ILE 9 63.223 -5.780 1.250 81 1HG1 ILE 9 HG12 ILE 9 64.930 -5.473 2.919 82 2HG1 ILE 9 HG11 ILE 9 64.190 -3.898 2.638 83 1HG2 ILE 9 HG22 ILE 9 60.812 -5.176 1.885 84 2HG2 ILE 9 HG21 ILE 9 61.517 -4.187 3.163 85 3HG2 ILE 9 HG23 ILE 9 61.884 -3.836 1.474 86 1HD1 ILE 9 HD12 ILE 9 62.616 -4.530 4.605 87 2HD1 ILE 9 HD11 ILE 9 63.831 -5.751 4.985 88 3HD1 ILE 9 HD13 ILE 9 64.268 -4.043 4.986 89 H ALA 10 HN ALA 10 59.976 -6.738 2.842 90 HA ALA 10 HA ALA 10 59.441 -5.477 5.367 91 1HB ALA 10 HB2 ALA 10 57.964 -6.297 3.091 92 2HB ALA 10 HB1 ALA 10 57.231 -7.089 4.485 93 3HB ALA 10 HB3 ALA 10 57.391 -5.333 4.453 94 H ALA 11 HN ALA 11 59.246 -8.846 4.241 95 HA ALA 11 HA ALA 11 58.430 -9.915 6.781 96 1HB ALA 11 HB2 ALA 11 59.398 -11.000 4.194 97 2HB ALA 11 HB1 ALA 11 59.654 -12.024 5.607 98 3HB ALA 11 HB3 ALA 11 58.024 -11.500 5.183 99 H LYS 12 HN LYS 12 61.565 -9.107 5.366 100 HA LYS 12 HA LYS 12 62.953 -10.542 7.542 101 1HB LYS 12 HB2 LYS 12 64.965 -10.072 6.438 102 2HB LYS 12 HB1 LYS 12 63.820 -10.203 5.105 103 1HG LYS 12 HG2 LYS 12 64.503 -8.156 4.469 104 2HG LYS 12 HG1 LYS 12 63.659 -7.525 5.884 105 1HD LYS 12 HD2 LYS 12 65.792 -6.704 6.279 106 2HD LYS 12 HD1 LYS 12 65.902 -8.254 7.111 107 1HE LYS 12 HE2 LYS 12 67.358 -9.111 5.589 108 2HE LYS 12 HE1 LYS 12 66.527 -8.359 4.227 109 1HZ LYS 12 HZ3 LYS 12 67.500 -6.206 5.374 110 2HZ LYS 12 HZ2 LYS 12 68.671 -7.314 5.909 111 3HZ LYS 12 HZ1 LYS 12 68.392 -7.102 4.245 112 H TYR 13 HN TYR 13 61.196 -8.689 8.587 113 HA TYR 13 HA TYR 13 63.006 -6.509 9.527 114 1HB TYR 13 HB2 TYR 13 60.053 -6.646 9.052 115 2HB TYR 13 HB1 TYR 13 60.650 -5.595 10.332 116 HD1 TYR 13 HD1 TYR 13 63.215 -4.650 9.310 117 HD2 TYR 13 HD2 TYR 13 59.501 -5.257 7.240 118 HE1 TYR 13 HE1 TYR 13 63.886 -2.968 7.618 119 HE2 TYR 13 HE2 TYR 13 60.172 -3.578 5.548 120 HH TYR 13 HH TYR 13 63.348 -1.962 5.715 121 H LYS 14 HN LYS 14 63.388 -6.353 11.711 122 HA LYS 14 HA LYS 14 62.581 -8.640 13.371 123 1HB LYS 14 HB2 LYS 14 64.889 -7.302 13.287 124 2HB LYS 14 HB1 LYS 14 64.076 -6.306 14.494 125 1HG LYS 14 HG2 LYS 14 65.216 -8.012 15.719 126 2HG LYS 14 HG1 LYS 14 63.514 -8.478 15.713 127 1HD LYS 14 HD2 LYS 14 64.348 -9.678 13.423 128 2HD LYS 14 HD1 LYS 14 65.829 -9.763 14.380 129 1HE LYS 14 HE2 LYS 14 64.449 -10.720 16.267 130 2HE LYS 14 HE1 LYS 14 63.093 -10.816 15.143 131 1HZ LYS 14 HZ1 LYS 14 65.725 -12.027 14.542 132 2HZ LYS 14 HZ3 LYS 14 64.521 -12.871 15.389 133 3HZ LYS 14 HZ2 LYS 14 64.228 -12.340 13.801 134 H HIS 15 HN HIS 15 60.349 -7.137 12.659 135 HA HIS 15 HA HIS 15 59.180 -6.561 15.204 136 1HB HIS 15 HB2 HIS 15 60.675 -4.407 14.041 137 2HB HIS 15 HB1 HIS 15 58.963 -3.994 13.982 138 HD1 HIS 15 HD1 HIS 15 61.053 -2.661 15.964 139 HD2 HIS 15 HD2 HIS 15 58.415 -5.737 16.946 140 HE1 HIS 15 HE1 HIS 15 60.746 -2.566 18.476 141 H SER 16 HN SER 16 57.229 -7.418 14.687 142 HA SER 16 HA SER 16 56.053 -7.758 12.209 143 1HB SER 16 HB2 SER 16 54.875 -7.305 14.928 144 2HB SER 16 HB1 SER 16 53.810 -7.450 13.534 145 HG SER 16 HG SER 16 55.143 -9.412 13.078 146 H VAL 17 HN VAL 17 55.765 -4.752 14.171 147 HA VAL 17 HA VAL 17 53.878 -3.466 12.483 148 HB VAL 17 HB VAL 17 56.030 -2.229 14.222 149 1HG1 VAL 17 HG13 VAL 17 53.789 -1.146 12.605 150 2HG1 VAL 17 HG12 VAL 17 53.943 -0.498 14.238 151 3HG1 VAL 17 HG11 VAL 17 55.291 -0.371 13.108 152 1HG2 VAL 17 HG22 VAL 17 53.773 -3.807 14.893 153 2HG2 VAL 17 HG21 VAL 17 54.776 -2.854 15.989 154 3HG2 VAL 17 HG23 VAL 17 53.338 -2.137 15.262 155 H VAL 18 HN VAL 18 57.410 -3.666 12.274 156 HA VAL 18 HA VAL 18 57.831 -1.595 10.378 157 HB VAL 18 HB VAL 18 59.292 -4.232 10.273 158 1HG1 VAL 18 HG11 VAL 18 59.749 -2.285 8.683 159 2HG1 VAL 18 HG13 VAL 18 60.356 -1.422 10.096 160 3HG1 VAL 18 HG12 VAL 18 61.135 -2.914 9.574 161 1HG2 VAL 18 HG23 VAL 18 58.913 -2.742 12.624 162 2HG2 VAL 18 HG22 VAL 18 60.132 -3.982 12.333 163 3HG2 VAL 18 HG21 VAL 18 60.512 -2.291 12.038 164 H LYS 19 HN LYS 19 56.231 -4.639 10.103 165 HA LYS 19 HA LYS 19 56.602 -5.084 7.294 166 1HB LYS 19 HB2 LYS 19 54.614 -5.988 9.341 167 2HB LYS 19 HB1 LYS 19 54.210 -6.207 7.640 168 1HG LYS 19 HG2 LYS 19 56.761 -7.104 7.614 169 2HG LYS 19 HG1 LYS 19 56.316 -7.525 9.268 170 1HD LYS 19 HD2 LYS 19 54.444 -8.186 7.012 171 2HD LYS 19 HD1 LYS 19 55.826 -9.233 7.338 172 1HE LYS 19 HE2 LYS 19 54.920 -8.982 9.848 173 2HE LYS 19 HE1 LYS 19 53.399 -8.725 8.993 174 1HZ LYS 19 HZ3 LYS 19 53.903 -10.794 7.732 175 2HZ LYS 19 HZ2 LYS 19 55.208 -11.065 8.786 176 3HZ LYS 19 HZ1 LYS 19 53.619 -11.038 9.386 177 H LYS 20 HN LYS 20 53.882 -3.546 9.061 178 HA LYS 20 HA LYS 20 52.450 -2.685 6.767 179 1HB LYS 20 HB2 LYS 20 51.353 -2.544 8.882 180 2HB LYS 20 HB1 LYS 20 52.642 -1.552 9.559 181 1HG LYS 20 HG2 LYS 20 51.528 0.295 8.914 182 2HG LYS 20 HG1 LYS 20 51.697 -0.206 7.229 183 1HD LYS 20 HD2 LYS 20 49.318 0.122 7.861 184 2HD LYS 20 HD1 LYS 20 49.651 -1.548 7.401 185 1HE LYS 20 HE2 LYS 20 48.819 -2.197 9.389 186 2HE LYS 20 HE1 LYS 20 50.190 -1.402 10.163 187 1HZ LYS 20 HZ1 LYS 20 48.840 0.705 9.966 188 2HZ LYS 20 HZ3 LYS 20 47.510 -0.282 9.598 189 3HZ LYS 20 HZ2 LYS 20 48.291 -0.437 11.099 190 H CYS 21 HN CYS 21 54.955 -1.042 8.680 191 HA CYS 21 HA CYS 21 55.018 1.437 7.379 192 1HB CYS 21 HB2 CYS 21 57.262 -0.233 8.538 193 2HB CYS 21 HB1 CYS 21 57.478 1.431 8.005 194 H CYS 22 HN CYS 22 56.879 -1.495 6.510 195 HA CYS 22 HA CYS 22 57.941 -0.319 4.088 196 1HB CYS 22 HB2 CYS 22 59.172 -2.145 4.978 197 2HB CYS 22 HB1 CYS 22 57.732 -3.148 5.135 198 H TYR 23 HN TYR 23 54.961 -1.802 4.991 199 HA TYR 23 HA TYR 23 54.090 -2.755 2.451 200 1HB TYR 23 HB2 TYR 23 52.970 -2.358 5.046 201 2HB TYR 23 HB1 TYR 23 51.855 -1.721 3.850 202 HD1 TYR 23 HD2 TYR 23 51.654 -3.227 1.645 203 HD2 TYR 23 HD1 TYR 23 52.826 -4.579 5.539 204 HE1 TYR 23 HE2 TYR 23 50.998 -5.540 1.031 205 HE2 TYR 23 HE1 TYR 23 52.180 -6.860 4.929 206 HH TYR 23 HH TYR 23 51.380 -7.786 1.684 207 H ASP 24 HN ASP 24 53.393 0.334 4.118 208 HA ASP 24 HA ASP 24 52.173 1.551 1.810 209 1HB ASP 24 HB2 ASP 24 53.569 3.169 3.918 210 2HB ASP 24 HB1 ASP 24 52.043 3.492 3.102 211 H GLY 25 HN GLY 25 55.441 1.730 3.230 212 1HA GLY 25 HA2 GLY 25 56.706 3.549 1.587 213 2HA GLY 25 HA1 GLY 25 57.496 2.048 2.091 214 H ALA 26 HN ALA 26 56.300 0.081 0.763 215 HA ALA 26 HA ALA 26 57.153 0.379 -1.963 216 1HB ALA 26 HB1 ALA 26 56.530 -1.747 -0.329 217 2HB ALA 26 HB3 ALA 26 55.170 -1.736 -1.450 218 3HB ALA 26 HB2 ALA 26 56.817 -1.865 -2.064 219 H CYS 27 HN CYS 27 53.984 0.581 -0.379 220 HA CYS 27 HA CYS 27 52.596 0.940 -2.946 221 1HB CYS 27 HB2 CYS 27 51.655 1.150 -0.070 222 2HB CYS 27 HB1 CYS 27 50.601 1.330 -1.472 223 HG CYS 27 HG CYS 27 51.147 -1.161 -2.123 224 H VAL 28 HN VAL 28 54.667 2.864 -1.520 225 HA VAL 28 HA VAL 28 53.941 5.279 -0.706 226 HB VAL 28 HB VAL 28 56.178 5.041 -1.451 227 1HG1 VAL 28 HG11 VAL 28 54.890 4.283 -4.056 228 2HG1 VAL 28 HG13 VAL 28 56.554 4.868 -4.032 229 3HG1 VAL 28 HG12 VAL 28 56.117 3.418 -3.128 230 1HG2 VAL 28 HG21 VAL 28 54.713 7.266 -2.157 231 2HG2 VAL 28 HG23 VAL 28 56.470 7.147 -2.267 232 3HG2 VAL 28 HG22 VAL 28 55.474 6.828 -3.687 233 H ASN 29 HN ASN 29 52.367 6.746 -1.154 234 HA ASN 29 HA ASN 29 50.616 6.438 -3.428 235 1HB ASN 29 HB2 ASN 29 50.923 8.707 -1.438 236 2HB ASN 29 HB1 ASN 29 49.614 8.581 -2.614 237 1HD2 ASN 29 HD22 ASN 29 48.743 6.951 0.749 238 2HD2 ASN 29 HD21 ASN 29 49.491 8.437 0.410 239 H ASN 30 HN ASN 30 51.830 9.656 -2.743 240 HA ASN 30 HA ASN 30 52.053 10.524 -5.364 241 1HB ASN 30 HB2 ASN 30 52.362 12.011 -3.425 242 2HB ASN 30 HB1 ASN 30 53.909 11.241 -3.073 243 1HD2 ASN 30 HD22 ASN 30 53.897 13.159 -6.696 244 2HD2 ASN 30 HD21 ASN 30 52.676 12.036 -6.336 245 H ASP 31 HN ASP 31 53.684 10.468 -6.964 246 HA ASP 31 HA ASP 31 55.201 8.139 -7.283 247 1HB ASP 31 HB2 ASP 31 54.828 9.660 -9.145 248 2HB ASP 31 HB1 ASP 31 55.762 10.925 -8.344 249 H GLU 32 HN GLU 32 56.021 11.091 -5.551 250 HA GLU 32 HA GLU 32 58.591 9.793 -4.737 251 1HB GLU 32 HB2 GLU 32 57.955 12.757 -4.919 252 2HB GLU 32 HB1 GLU 32 59.499 12.060 -4.424 253 1HG GLU 32 HG2 GLU 32 60.134 11.778 -6.565 254 2HG GLU 32 HG1 GLU 32 58.635 10.933 -6.950 255 H THR 33 HN THR 33 58.679 12.224 -2.784 256 HA THR 33 HA THR 33 58.491 11.691 -0.348 257 HB THR 33 HB THR 33 56.374 13.254 0.051 258 HG1 THR 33 HG1 THR 33 56.556 14.632 -2.021 259 1HG2 THR 33 HG22 THR 33 59.133 13.850 -0.944 260 2HG2 THR 33 HG21 THR 33 57.998 15.185 -0.747 261 3HG2 THR 33 HG23 THR 33 58.418 14.174 0.636 262 H CYS 34 HN CYS 34 57.833 9.330 -0.544 263 HA CYS 34 HA CYS 34 55.184 8.414 -0.732 264 1HB CYS 34 HB2 CYS 34 56.077 6.744 1.205 265 2HB CYS 34 HB1 CYS 34 56.478 6.556 -0.494 266 H GLU 35 HN GLU 35 56.498 8.175 2.527 267 HA GLU 35 HA GLU 35 53.980 8.757 3.747 268 1HB GLU 35 HB2 GLU 35 56.786 8.843 4.867 269 2HB GLU 35 HB1 GLU 35 55.344 8.986 5.861 270 1HG GLU 35 HG2 GLU 35 55.694 6.669 3.970 271 2HG GLU 35 HG1 GLU 35 56.370 6.632 5.599 272 H GLN 36 HN GLN 36 56.754 10.800 2.924 273 HA GLN 36 HA GLN 36 56.087 13.159 4.313 274 1HB GLN 36 HB2 GLN 36 57.483 12.521 1.771 275 2HB GLN 36 HB1 GLN 36 56.832 14.157 1.876 276 1HG GLN 36 HG2 GLN 36 58.096 13.438 4.372 277 2HG GLN 36 HG1 GLN 36 59.219 13.198 3.035 278 1HE2 GLN 36 HE22 GLN 36 59.665 16.650 2.465 279 2HE2 GLN 36 HE21 GLN 36 60.110 15.064 2.055 280 H ARG 37 HN ARG 37 54.693 11.612 1.531 281 HA ARG 37 HA ARG 37 52.777 13.765 0.984 282 1HB ARG 37 HB2 ARG 37 53.483 12.373 -0.892 283 2HB ARG 37 HB1 ARG 37 52.999 10.911 -0.034 284 1HG ARG 37 HG2 ARG 37 51.195 11.358 -1.509 285 2HG ARG 37 HG1 ARG 37 50.645 11.950 0.060 286 1HD ARG 37 HD2 ARG 37 51.654 14.224 -0.685 287 2HD ARG 37 HD1 ARG 37 51.622 13.537 -2.309 288 HE ARG 37 HE ARG 37 49.172 13.849 -0.619 289 1HH1 ARG 37 HH12 ARG 37 50.735 15.072 -3.297 290 2HH1 ARG 37 HH11 ARG 37 49.409 14.877 -4.394 291 1HH2 ARG 37 HH21 ARG 37 47.496 13.027 -2.170 292 2HH2 ARG 37 HH22 ARG 37 47.576 13.719 -3.756 293 H ALA 38 HN ALA 38 52.912 10.627 2.609 294 HA ALA 38 HA ALA 38 50.266 10.085 3.225 295 1HB ALA 38 HB3 ALA 38 52.591 10.046 5.185 296 2HB ALA 38 HB2 ALA 38 51.064 9.191 5.399 297 3HB ALA 38 HB1 ALA 38 52.156 8.731 4.093 298 H ALA 39 HN ALA 39 52.329 11.995 5.378 299 HA ALA 39 HA ALA 39 50.709 14.305 5.514 300 1HB ALA 39 HB3 ALA 39 49.816 12.034 7.232 301 2HB ALA 39 HB2 ALA 39 49.845 13.633 7.976 302 3HB ALA 39 HB1 ALA 39 48.871 13.349 6.533 303 H ARG 40 HN ARG 40 52.438 11.985 7.504 304 HA ARG 40 HA ARG 40 54.738 13.584 7.951 305 1HB ARG 40 HB2 ARG 40 52.467 14.265 9.633 306 2HB ARG 40 HB1 ARG 40 53.817 13.674 10.601 307 1HG ARG 40 HG2 ARG 40 55.176 15.285 8.927 308 2HG ARG 40 HG1 ARG 40 53.622 16.121 8.920 309 1HD ARG 40 HD2 ARG 40 54.237 15.368 11.618 310 2HD ARG 40 HD1 ARG 40 55.635 16.198 10.933 311 HE ARG 40 HE ARG 40 54.008 18.058 10.324 312 1HH1 ARG 40 HH21 ARG 40 51.397 17.244 10.916 313 2HH1 ARG 40 HH22 ARG 40 51.147 17.615 12.589 314 1HH2 ARG 40 HH12 ARG 40 54.530 17.907 13.300 315 2HH2 ARG 40 HH11 ARG 40 52.923 17.990 13.940 316 H ILE 41 HN ILE 41 56.118 11.843 8.161 317 HA ILE 41 HA ILE 41 55.321 9.271 8.959 318 HB ILE 41 HB ILE 41 57.559 9.815 7.915 319 1HG1 ILE 41 HG12 ILE 41 58.700 8.015 9.155 320 2HG1 ILE 41 HG11 ILE 41 57.510 8.167 10.448 321 1HG2 ILE 41 HG22 ILE 41 57.860 11.572 9.958 322 2HG2 ILE 41 HG21 ILE 41 58.720 10.180 10.616 323 3HG2 ILE 41 HG23 ILE 41 59.218 10.876 9.074 324 1HD1 ILE 41 HD11 ILE 41 56.551 7.773 7.633 325 2HD1 ILE 41 HD13 ILE 41 57.138 6.380 8.541 326 3HD1 ILE 41 HD12 ILE 41 55.773 7.319 9.148 327 H SER 42 HN SER 42 54.001 9.249 10.702 328 HA SER 42 HA SER 42 55.414 9.681 13.238 329 1HB SER 42 HB2 SER 42 53.780 11.021 14.191 330 2HB SER 42 HB1 SER 42 53.788 11.617 12.529 331 HG SER 42 HG SER 42 51.847 10.843 12.280 332 H LEU 43 HN LEU 43 55.177 7.276 12.123 333 HA LEU 43 HA LEU 43 53.001 6.081 13.726 334 1HB LEU 43 HB2 LEU 43 54.379 4.948 11.271 335 2HB LEU 43 HB1 LEU 43 53.124 4.124 12.197 336 HG LEU 43 HG LEU 43 52.442 6.869 11.334 337 1HD1 LEU 43 HD12 LEU 43 53.014 4.632 9.395 338 2HD1 LEU 43 HD11 LEU 43 51.788 5.847 9.034 339 3HD1 LEU 43 HD13 LEU 43 53.465 6.333 9.279 340 1HD2 LEU 43 HD23 LEU 43 51.113 4.688 12.356 341 2HD2 LEU 43 HD22 LEU 43 50.333 6.035 11.526 342 3HD2 LEU 43 HD21 LEU 43 50.737 4.567 10.637 343 H GLY 44 HN GLY 44 56.287 6.604 13.538 344 1HA GLY 44 HA2 GLY 44 57.240 5.556 15.785 345 2HA GLY 44 HA1 GLY 44 56.996 4.053 14.897 346 HA PRO 45 HA PRO 45 61.212 5.883 13.764 347 1HB PRO 45 HB2 PRO 45 62.716 4.051 15.092 348 2HB PRO 45 HB1 PRO 45 62.133 5.542 15.842 349 1HG PRO 45 HG2 PRO 45 61.209 2.762 16.238 350 2HG PRO 45 HG1 PRO 45 61.198 4.129 17.361 351 1HD PRO 45 HD2 PRO 45 59.001 3.152 15.941 352 2HD PRO 45 HD1 PRO 45 59.084 4.700 16.781 353 H ARG 46 HN ARG 46 60.857 2.365 14.375 354 HA ARG 46 HA ARG 46 62.307 1.384 12.231 355 1HB ARG 46 HB2 ARG 46 61.214 -0.646 12.547 356 2HB ARG 46 HB1 ARG 46 60.875 0.155 14.077 357 1HG ARG 46 HG2 ARG 46 59.002 0.207 11.691 358 2HG ARG 46 HG1 ARG 46 58.856 -0.923 13.034 359 1HD ARG 46 HD2 ARG 46 59.133 1.769 14.038 360 2HD ARG 46 HD1 ARG 46 57.802 1.689 12.887 361 HE ARG 46 HE ARG 46 57.531 -0.540 14.597 362 1HH1 ARG 46 HH21 ARG 46 55.950 2.215 14.052 363 2HH1 ARG 46 HH22 ARG 46 55.571 2.606 15.696 364 1HH2 ARG 46 HH12 ARG 46 57.733 0.250 17.036 365 2HH2 ARG 46 HH11 ARG 46 56.581 1.496 17.384 366 H CYS 47 HN CYS 47 59.216 2.980 12.166 367 HA CYS 47 HA CYS 47 58.369 2.251 9.504 368 1HB CYS 47 HB2 CYS 47 57.390 3.807 11.621 369 2HB CYS 47 HB1 CYS 47 57.663 4.957 10.303 370 H ILE 48 HN ILE 48 59.825 5.268 10.704 371 HA ILE 48 HA ILE 48 60.149 6.689 8.421 372 HB ILE 48 HB ILE 48 61.940 6.302 10.787 373 1HG1 ILE 48 HG12 ILE 48 61.454 8.760 10.978 374 2HG1 ILE 48 HG11 ILE 48 60.454 8.629 9.532 375 1HG2 ILE 48 HG22 ILE 48 62.750 7.383 8.161 376 2HG2 ILE 48 HG21 ILE 48 63.106 8.417 9.544 377 3HG2 ILE 48 HG23 ILE 48 63.742 6.774 9.485 378 1HD1 ILE 48 HD12 ILE 48 59.055 6.929 10.680 379 2HD1 ILE 48 HD11 ILE 48 60.029 7.138 12.136 380 3HD1 ILE 48 HD13 ILE 48 59.050 8.473 11.530 381 H LYS 49 HN LYS 49 62.725 4.359 9.405 382 HA LYS 49 HA LYS 49 63.839 4.429 6.711 383 1HB LYS 49 HB2 LYS 49 64.521 2.685 9.093 384 2HB LYS 49 HB1 LYS 49 65.464 2.792 7.607 385 1HG LYS 49 HG2 LYS 49 64.805 5.316 9.079 386 2HG LYS 49 HG1 LYS 49 66.096 4.286 9.695 387 1HD LYS 49 HD2 LYS 49 67.144 4.323 7.422 388 2HD LYS 49 HD1 LYS 49 65.908 5.473 6.913 389 1HE LYS 49 HE2 LYS 49 67.788 6.798 7.546 390 2HE LYS 49 HE1 LYS 49 66.648 6.925 8.885 391 1HZ LYS 49 HZ1 LYS 49 67.878 5.060 9.946 392 2HZ LYS 49 HZ3 LYS 49 69.047 5.188 8.725 393 3HZ LYS 49 HZ2 LYS 49 68.784 6.489 9.785 394 H ALA 50 HN ALA 50 61.546 2.372 8.365 395 HA ALA 50 HA ALA 50 61.990 0.083 6.664 396 1HB ALA 50 HB3 ALA 50 59.577 0.868 8.325 397 2HB ALA 50 HB2 ALA 50 59.794 -0.698 7.542 398 3HB ALA 50 HB1 ALA 50 60.885 -0.199 8.833 399 H PHE 51 HN PHE 51 59.267 2.339 6.878 400 HA PHE 51 HA PHE 51 58.233 1.675 4.350 401 1HB PHE 51 HB2 PHE 51 56.633 3.254 4.765 402 2HB PHE 51 HB1 PHE 51 57.248 3.105 6.401 403 HD1 PHE 51 HD2 PHE 51 57.677 5.089 3.237 404 HD2 PHE 51 HD1 PHE 51 58.142 4.983 7.487 405 HE1 PHE 51 HE2 PHE 51 58.313 7.491 3.245 406 HE2 PHE 51 HE1 PHE 51 58.767 7.363 7.491 407 HZ PHE 51 HZ PHE 51 58.851 8.620 5.387 408 H THR 52 HN THR 52 60.311 4.392 5.388 409 HA THR 52 HA THR 52 60.446 5.630 2.862 410 HB THR 52 HB THR 52 62.617 5.467 4.971 411 HG1 THR 52 HG1 THR 52 61.631 7.755 5.114 412 1HG2 THR 52 HG22 THR 52 62.738 6.451 2.331 413 2HG2 THR 52 HG21 THR 52 62.589 7.868 3.371 414 3HG2 THR 52 HG23 THR 52 63.905 6.721 3.625 415 H GLU 53 HN GLU 53 62.380 2.995 4.203 416 HA GLU 53 HA GLU 53 64.219 2.725 2.048 417 1HB GLU 53 HB2 GLU 53 64.710 1.709 4.164 418 2HB GLU 53 HB1 GLU 53 63.221 0.772 4.092 419 1HG GLU 53 HG2 GLU 53 65.190 -0.603 3.469 420 2HG GLU 53 HG1 GLU 53 64.047 -0.449 2.133 421 H CYS 54 HN CYS 54 61.106 1.124 2.691 422 HA CYS 54 HA CYS 54 61.282 -0.552 0.328 423 1HB CYS 54 HB2 CYS 54 59.156 0.087 2.345 424 2HB CYS 54 HB1 CYS 54 58.720 -0.746 0.850 425 H CYS 55 HN CYS 55 60.153 2.634 1.042 426 HA CYS 55 HA CYS 55 58.612 2.865 -1.438 427 1HB CYS 55 HB2 CYS 55 57.618 4.444 -0.163 428 2HB CYS 55 HB1 CYS 55 58.889 4.326 1.043 429 H VAL 56 HN VAL 56 61.862 3.403 -0.321 430 HA VAL 56 HA VAL 56 62.590 5.105 -2.604 431 HB VAL 56 HB VAL 56 64.341 3.618 -0.609 432 1HG1 VAL 56 HG12 VAL 56 65.182 4.498 -2.968 433 2HG1 VAL 56 HG11 VAL 56 65.204 6.047 -2.125 434 3HG1 VAL 56 HG13 VAL 56 66.168 4.699 -1.520 435 1HG2 VAL 56 HG21 VAL 56 62.628 5.740 -0.106 436 2HG2 VAL 56 HG23 VAL 56 64.043 5.316 0.857 437 3HG2 VAL 56 HG22 VAL 56 64.172 6.537 -0.409 438 H VAL 57 HN VAL 57 63.128 1.751 -1.570 439 HA VAL 57 HA VAL 57 64.549 0.983 -3.941 440 HB VAL 57 HB VAL 57 63.937 -1.319 -3.249 441 1HG1 VAL 57 HG13 VAL 57 65.783 0.008 -2.114 442 2HG1 VAL 57 HG12 VAL 57 64.629 0.371 -0.830 443 3HG1 VAL 57 HG11 VAL 57 65.112 -1.298 -1.137 444 1HG2 VAL 57 HG22 VAL 57 62.216 0.148 -1.227 445 2HG2 VAL 57 HG21 VAL 57 61.648 -0.915 -2.514 446 3HG2 VAL 57 HG23 VAL 57 62.567 -1.579 -1.163 447 H ALA 58 HN ALA 58 61.206 0.968 -2.847 448 HA ALA 58 HA ALA 58 60.042 -0.080 -5.241 449 1HB ALA 58 HB3 ALA 58 58.962 1.835 -3.149 450 2HB ALA 58 HB2 ALA 58 57.979 1.098 -4.413 451 3HB ALA 58 HB1 ALA 58 58.732 0.088 -3.179 452 H SER 59 HN SER 59 61.271 2.979 -4.188 453 HA SER 59 HA SER 59 60.117 4.705 -6.129 454 1HB SER 59 HB2 SER 59 61.535 5.237 -4.032 455 2HB SER 59 HB1 SER 59 62.907 5.089 -5.121 456 HG SER 59 HG SER 59 60.769 6.919 -5.144 457 H GLN 60 HN GLN 60 63.091 2.799 -6.126 458 HA GLN 60 HA GLN 60 63.936 3.652 -8.767 459 1HB GLN 60 HB2 GLN 60 64.986 2.110 -6.609 460 2HB GLN 60 HB1 GLN 60 65.036 1.122 -8.071 461 1HG GLN 60 HG2 GLN 60 66.396 2.659 -9.215 462 2HG GLN 60 HG1 GLN 60 65.938 3.988 -8.146 463 1HE2 GLN 60 HE22 GLN 60 68.156 2.843 -5.488 464 2HE2 GLN 60 HE21 GLN 60 66.593 3.474 -5.694 465 H LEU 61 HN LEU 61 61.966 1.097 -7.451 466 HA LEU 61 HA LEU 61 61.959 -0.590 -9.788 467 1HB LEU 61 HB2 LEU 61 60.111 -0.268 -7.418 468 2HB LEU 61 HB1 LEU 61 59.839 -1.479 -8.662 469 HG LEU 61 HG LEU 61 62.153 -1.245 -6.772 470 1HD1 LEU 61 HD13 LEU 61 59.753 -2.794 -6.885 471 2HD1 LEU 61 HD12 LEU 61 61.125 -3.883 -7.082 472 3HD1 LEU 61 HD11 LEU 61 61.023 -2.840 -5.663 473 1HD2 LEU 61 HD22 LEU 61 61.924 -2.731 -9.382 474 2HD2 LEU 61 HD21 LEU 61 63.266 -1.752 -8.791 475 3HD2 LEU 61 HD23 LEU 61 62.958 -3.339 -8.088 476 H ARG 62 HN ARG 62 60.139 2.189 -8.665 477 HA ARG 62 HA ARG 62 58.331 2.007 -10.987 478 1HB ARG 62 HB2 ARG 62 57.123 3.877 -9.935 479 2HB ARG 62 HB1 ARG 62 57.358 2.561 -8.783 480 1HG ARG 62 HG2 ARG 62 59.295 3.713 -7.826 481 2HG ARG 62 HG1 ARG 62 59.132 5.011 -9.005 482 1HD ARG 62 HD2 ARG 62 58.121 5.681 -6.872 483 2HD ARG 62 HD1 ARG 62 56.876 5.522 -8.110 484 HE ARG 62 HE ARG 62 57.235 3.745 -5.779 485 1HH1 ARG 62 HH21 ARG 62 56.520 1.563 -7.023 486 2HH1 ARG 62 HH22 ARG 62 54.884 1.702 -7.577 487 1HH2 ARG 62 HH12 ARG 62 54.798 5.155 -7.276 488 2HH2 ARG 62 HH11 ARG 62 53.910 3.736 -7.721 489 H ALA 63 HN ALA 63 61.256 3.595 -10.075 490 HA ALA 63 HA ALA 63 60.833 5.724 -12.106 491 1HB ALA 63 HB2 ALA 63 62.970 5.321 -9.995 492 2HB ALA 63 HB1 ALA 63 62.995 6.628 -11.179 493 3HB ALA 63 HB3 ALA 63 61.693 6.536 -9.993 494 H ASN 64 HN ASN 64 61.962 2.613 -11.996 495 HA ASN 64 HA ASN 64 64.008 3.157 -14.110 496 1HB ASN 64 HB2 ASN 64 64.630 1.935 -11.874 497 2HB ASN 64 HB1 ASN 64 63.828 0.552 -12.618 498 1HD2 ASN 64 HD22 ASN 64 67.073 -0.076 -13.978 499 2HD2 ASN 64 HD21 ASN 64 65.980 -0.526 -12.759 500 H ILE 65 HN ILE 65 61.512 0.794 -13.111 501 HA ILE 65 HA ILE 65 61.277 -0.024 -15.964 502 HB ILE 65 HB ILE 65 59.700 -1.378 -13.822 503 1HG1 ILE 65 HG12 ILE 65 62.084 -2.770 -13.787 504 2HG1 ILE 65 HG11 ILE 65 62.631 -1.093 -13.793 505 1HG2 ILE 65 HG21 ILE 65 60.210 -1.830 -16.487 506 2HG2 ILE 65 HG23 ILE 65 61.377 -2.898 -15.707 507 3HG2 ILE 65 HG22 ILE 65 59.657 -3.058 -15.349 508 1HD1 ILE 65 HD12 ILE 65 60.366 -1.524 -11.994 509 2HD1 ILE 65 HD11 ILE 65 61.767 -2.505 -11.561 510 3HD1 ILE 65 HD13 ILE 65 61.919 -0.751 -11.675 511 H SER 66 HN SER 66 58.576 -0.972 -15.714 512 HA SER 66 HA SER 66 56.736 0.985 -14.793 513 1HB SER 66 HB2 SER 66 58.091 1.628 -17.301 514 2HB SER 66 HB1 SER 66 56.342 1.550 -17.491 515 HG SER 66 HG SER 66 57.696 3.529 -16.522 516 H HIS 67 HN HIS 67 57.060 -1.916 -15.154 517 HA HIS 67 HA HIS 67 54.398 -2.462 -16.261 518 1HB HIS 67 HB2 HIS 67 56.333 -2.587 -18.097 519 2HB HIS 67 HB1 HIS 67 56.570 -4.182 -17.380 520 HD1 HIS 67 HD1 HIS 67 53.216 -3.900 -16.754 521 HD2 HIS 67 HD2 HIS 67 55.289 -4.262 -20.353 522 HE1 HIS 67 HE1 HIS 67 51.558 -4.793 -18.447 523 H LYS 68 HN LYS 68 55.370 -5.386 -16.499 524 HA LYS 68 HA LYS 68 54.464 -6.495 -14.181 525 1HB LYS 68 HB2 LYS 68 56.208 -7.347 -16.278 526 2HB LYS 68 HB1 LYS 68 56.891 -7.896 -14.748 527 1HG LYS 68 HG2 LYS 68 55.345 -9.587 -15.580 528 2HG LYS 68 HG1 LYS 68 54.659 -8.839 -14.138 529 1HD LYS 68 HD2 LYS 68 52.931 -7.922 -15.290 530 2HD LYS 68 HD1 LYS 68 53.963 -7.461 -16.644 531 1HE LYS 68 HE2 LYS 68 53.612 -10.367 -16.373 532 2HE LYS 68 HE1 LYS 68 52.110 -9.501 -16.700 533 1HZ LYS 68 HZ3 LYS 68 54.570 -8.977 -18.253 534 2HZ LYS 68 HZ2 LYS 68 53.499 -10.226 -18.680 535 3HZ LYS 68 HZ1 LYS 68 52.965 -8.613 -18.662 536 H ASP 69 HN ASP 69 57.842 -5.419 -14.596 537 HA ASP 69 HA ASP 69 58.630 -5.939 -11.914 538 1HB ASP 69 HB2 ASP 69 59.957 -5.202 -14.190 539 2HB ASP 69 HB1 ASP 69 59.942 -3.679 -13.300 540 H MET 70 HN MET 70 57.759 -2.884 -13.567 541 HA MET 70 HA MET 70 57.637 -1.375 -11.101 542 1HB MET 70 HB2 MET 70 58.006 -0.410 -13.409 543 2HB MET 70 HB1 MET 70 56.304 -0.714 -13.743 544 1HG MET 70 HG2 MET 70 56.977 0.754 -11.239 545 2HG MET 70 HG1 MET 70 57.133 1.626 -12.762 546 1HE MET 70 HE3 MET 70 55.856 2.672 -13.741 547 2HE MET 70 HE2 MET 70 54.298 2.141 -14.366 548 3HE MET 70 HE1 MET 70 54.358 3.262 -13.009 549 H GLN 71 HN GLN 71 54.898 -1.884 -13.345 550 HA GLN 71 HA GLN 71 52.781 -1.390 -11.696 551 1HB GLN 71 HB2 GLN 71 52.528 -2.141 -14.033 552 2HB GLN 71 HB1 GLN 71 52.975 -3.779 -13.555 553 1HG GLN 71 HG2 GLN 71 51.030 -3.771 -11.959 554 2HG GLN 71 HG1 GLN 71 50.541 -2.221 -12.647 555 1HE2 GLN 71 HE22 GLN 71 50.298 -4.111 -15.967 556 2HE2 GLN 71 HE21 GLN 71 51.467 -3.020 -15.397 557 H LEU 72 HN LEU 72 54.689 -4.421 -11.670 558 HA LEU 72 HA LEU 72 53.137 -5.273 -9.260 559 1HB LEU 72 HB2 LEU 72 54.271 -6.659 -11.515 560 2HB LEU 72 HB1 LEU 72 54.974 -7.288 -10.024 561 HG LEU 72 HG LEU 72 52.703 -7.603 -9.121 562 1HD1 LEU 72 HD11 LEU 72 51.867 -5.657 -10.612 563 2HD1 LEU 72 HD13 LEU 72 51.674 -6.892 -11.856 564 3HD1 LEU 72 HD12 LEU 72 50.778 -7.019 -10.343 565 1HD2 LEU 72 HD23 LEU 72 53.785 -8.945 -11.474 566 2HD2 LEU 72 HD22 LEU 72 52.984 -9.643 -10.068 567 3HD2 LEU 72 HD21 LEU 72 52.026 -9.049 -11.423 568 H GLY 73 HN GLY 73 56.486 -5.890 -10.213 569 1HA GLY 73 HA2 GLY 73 57.740 -6.096 -7.818 570 2HA GLY 73 HA1 GLY 73 58.500 -5.247 -9.164 571 H ARG 74 HN ARG 74 56.844 -3.032 -9.364 572 HA ARG 74 HA ARG 74 57.165 -0.807 -8.500 573 1HB ARG 74 HB2 ARG 74 55.385 -0.432 -6.822 574 2HB ARG 74 HB1 ARG 74 54.826 -1.442 -8.154 575 1HG ARG 74 HG2 ARG 74 54.196 -2.977 -6.632 576 2HG ARG 74 HG1 ARG 74 55.899 -3.234 -6.261 577 1HD ARG 74 HD2 ARG 74 55.860 -1.621 -4.498 578 2HD ARG 74 HD1 ARG 74 54.289 -1.002 -5.008 579 HE ARG 74 HE ARG 74 54.757 -3.474 -3.473 580 1HH1 ARG 74 HH21 ARG 74 52.683 -2.111 -5.811 581 2HH1 ARG 74 HH22 ARG 74 51.222 -2.545 -4.988 582 1HH2 ARG 74 HH12 ARG 74 52.851 -3.780 -2.187 583 2HH2 ARG 74 HH11 ARG 74 51.318 -3.491 -2.938 No H/Q in entry = 583 Start of MODEL 6 1 H MET 1 HN MET 1 54.603 -10.852 -10.466 2 HA MET 1 HA MET 1 54.835 -10.601 -8.126 3 1HB MET 1 HB2 MET 1 57.329 -9.063 -8.704 4 2HB MET 1 HB1 MET 1 57.037 -10.325 -7.507 5 1HG MET 1 HG2 MET 1 57.977 -11.780 -8.949 6 2HG MET 1 HG1 MET 1 56.546 -11.574 -9.959 7 1HE MET 1 HE3 MET 1 60.051 -11.430 -9.488 8 2HE MET 1 HE2 MET 1 59.708 -12.248 -11.011 9 3HE MET 1 HE1 MET 1 60.710 -10.799 -11.004 10 H LEU 2 HN LEU 2 53.024 -9.079 -7.981 11 HA LEU 2 HA LEU 2 53.450 -6.233 -8.072 12 1HB LEU 2 HB2 LEU 2 51.221 -7.552 -8.167 13 2HB LEU 2 HB1 LEU 2 51.335 -7.585 -6.408 14 HG LEU 2 HG LEU 2 51.741 -5.017 -6.626 15 1HD1 LEU 2 HD13 LEU 2 51.112 -5.835 -9.369 16 2HD1 LEU 2 HD12 LEU 2 50.066 -4.540 -8.783 17 3HD1 LEU 2 HD11 LEU 2 51.818 -4.328 -8.782 18 1HD2 LEU 2 HD21 LEU 2 49.691 -6.239 -5.722 19 2HD2 LEU 2 HD23 LEU 2 49.386 -4.629 -6.376 20 3HD2 LEU 2 HD22 LEU 2 48.985 -6.059 -7.327 21 H GLN 3 HN GLN 3 54.892 -8.362 -6.036 22 HA GLN 3 HA GLN 3 55.701 -6.389 -4.149 23 1HB GLN 3 HB2 GLN 3 54.393 -6.858 -2.210 24 2HB GLN 3 HB1 GLN 3 53.233 -6.669 -3.521 25 1HG GLN 3 HG2 GLN 3 53.798 -9.343 -3.691 26 2HG GLN 3 HG1 GLN 3 53.908 -9.070 -1.952 27 1HE2 GLN 3 HE22 GLN 3 50.363 -9.642 -2.166 28 2HE2 GLN 3 HE21 GLN 3 51.843 -10.420 -1.877 29 H LYS 4 HN LYS 4 57.075 -8.327 -5.519 30 HA LYS 4 HA LYS 4 57.636 -10.427 -3.469 31 1HB LYS 4 HB2 LYS 4 57.001 -11.120 -5.814 32 2HB LYS 4 HB1 LYS 4 58.496 -10.372 -6.364 33 1HG LYS 4 HG2 LYS 4 58.581 -12.886 -5.932 34 2HG LYS 4 HG1 LYS 4 59.833 -11.907 -5.178 35 1HD LYS 4 HD2 LYS 4 57.352 -12.294 -3.595 36 2HD LYS 4 HD1 LYS 4 58.363 -13.722 -3.812 37 1HE LYS 4 HE2 LYS 4 60.335 -12.267 -3.089 38 2HE LYS 4 HE1 LYS 4 59.137 -11.076 -2.583 39 1HZ LYS 4 HZ3 LYS 4 58.680 -13.800 -1.691 40 2HZ LYS 4 HZ2 LYS 4 60.024 -13.018 -1.006 41 3HZ LYS 4 HZ1 LYS 4 58.475 -12.337 -0.858 42 H LYS 5 HN LYS 5 58.767 -7.470 -4.032 43 HA LYS 5 HA LYS 5 61.564 -8.264 -3.492 44 1HB LYS 5 HB2 LYS 5 61.675 -7.394 -5.692 45 2HB LYS 5 HB1 LYS 5 60.459 -6.160 -5.357 46 1HG LYS 5 HG2 LYS 5 62.020 -4.720 -4.640 47 2HG LYS 5 HG1 LYS 5 62.661 -5.927 -3.540 48 1HD LYS 5 HD2 LYS 5 63.701 -6.956 -5.734 49 2HD LYS 5 HD1 LYS 5 63.491 -5.318 -6.355 50 1HE LYS 5 HE2 LYS 5 64.744 -5.636 -3.661 51 2HE LYS 5 HE1 LYS 5 65.719 -6.038 -5.075 52 1HZ LYS 5 HZ1 LYS 5 64.240 -3.485 -4.772 53 2HZ LYS 5 HZ3 LYS 5 65.870 -3.680 -4.346 54 3HZ LYS 5 HZ2 LYS 5 65.385 -3.879 -5.963 55 H ILE 6 HN ILE 6 58.859 -6.093 -2.923 56 HA ILE 6 HA ILE 6 60.386 -4.696 -0.794 57 HB ILE 6 HB ILE 6 57.547 -4.062 -1.550 58 1HG1 ILE 6 HG12 ILE 6 59.103 -4.336 -3.606 59 2HG1 ILE 6 HG11 ILE 6 58.211 -2.819 -3.453 60 1HG2 ILE 6 HG23 ILE 6 59.911 -2.658 -0.338 61 2HG2 ILE 6 HG22 ILE 6 58.660 -1.711 -1.143 62 3HG2 ILE 6 HG21 ILE 6 58.244 -2.730 0.236 63 1HD1 ILE 6 HD11 ILE 6 60.836 -2.855 -2.096 64 2HD1 ILE 6 HD13 ILE 6 60.911 -2.977 -3.853 65 3HD1 ILE 6 HD12 ILE 6 60.104 -1.603 -3.099 66 H GLU 7 HN GLU 7 57.763 -6.959 -1.353 67 HA GLU 7 HA GLU 7 56.793 -6.868 1.403 68 1HB GLU 7 HB2 GLU 7 55.375 -7.628 -0.534 69 2HB GLU 7 HB1 GLU 7 56.421 -9.040 -0.685 70 1HG GLU 7 HG2 GLU 7 54.915 -9.998 0.728 71 2HG GLU 7 HG1 GLU 7 55.834 -9.145 1.969 72 H GLU 8 HN GLU 8 59.319 -8.405 -0.380 73 HA GLU 8 HA GLU 8 59.771 -10.589 1.481 74 1HB GLU 8 HB2 GLU 8 61.802 -10.973 0.214 75 2HB GLU 8 HB1 GLU 8 60.523 -10.566 -0.931 76 1HG GLU 8 HG2 GLU 8 61.306 -8.231 -1.011 77 2HG GLU 8 HG1 GLU 8 62.566 -8.618 0.176 78 H ILE 9 HN ILE 9 61.263 -7.388 0.927 79 HA ILE 9 HA ILE 9 63.115 -7.652 3.124 80 HB ILE 9 HB ILE 9 63.220 -6.028 1.099 81 1HG1 ILE 9 HG12 ILE 9 64.840 -6.018 2.951 82 2HG1 ILE 9 HG11 ILE 9 64.467 -4.367 2.452 83 1HG2 ILE 9 HG23 ILE 9 60.866 -5.141 1.752 84 2HG2 ILE 9 HG22 ILE 9 61.729 -4.192 2.962 85 3HG2 ILE 9 HG21 ILE 9 62.089 -3.974 1.250 86 1HD1 ILE 9 HD13 ILE 9 62.564 -4.654 4.315 87 2HD1 ILE 9 HD12 ILE 9 63.738 -5.800 4.964 88 3HD1 ILE 9 HD11 ILE 9 64.192 -4.114 4.724 89 H ALA 10 HN ALA 10 59.859 -6.444 2.715 90 HA ALA 10 HA ALA 10 59.544 -5.178 5.261 91 1HB ALA 10 HB3 ALA 10 57.947 -5.669 3.019 92 2HB ALA 10 HB2 ALA 10 57.159 -6.563 4.319 93 3HB ALA 10 HB1 ALA 10 57.446 -4.830 4.488 94 H ALA 11 HN ALA 11 58.950 -8.484 4.117 95 HA ALA 11 HA ALA 11 58.064 -9.468 6.679 96 1HB ALA 11 HB1 ALA 11 59.173 -10.914 4.256 97 2HB ALA 11 HB3 ALA 11 58.457 -11.715 5.655 98 3HB ALA 11 HB2 ALA 11 57.470 -10.662 4.641 99 H LYS 12 HN LYS 12 61.216 -9.022 5.154 100 HA LYS 12 HA LYS 12 62.493 -10.689 7.229 101 1HB LYS 12 HB2 LYS 12 64.470 -10.513 6.023 102 2HB LYS 12 HB1 LYS 12 63.278 -10.329 4.740 103 1HG LYS 12 HG2 LYS 12 64.316 -8.399 4.220 104 2HG LYS 12 HG1 LYS 12 63.637 -7.732 5.705 105 1HD LYS 12 HD2 LYS 12 65.945 -7.342 5.957 106 2HD LYS 12 HD1 LYS 12 65.706 -8.843 6.852 107 1HE LYS 12 HE2 LYS 12 66.316 -10.098 4.751 108 2HE LYS 12 HE1 LYS 12 66.754 -8.551 4.026 109 1HZ LYS 12 HZ1 LYS 12 67.896 -9.559 6.570 110 2HZ LYS 12 HZ3 LYS 12 68.634 -9.775 5.059 111 3HZ LYS 12 HZ2 LYS 12 68.407 -8.208 5.676 112 H TYR 13 HN TYR 13 61.022 -8.639 8.373 113 HA TYR 13 HA TYR 13 63.130 -6.748 9.313 114 1HB TYR 13 HB2 TYR 13 60.154 -6.523 9.021 115 2HB TYR 13 HB1 TYR 13 60.974 -5.574 10.257 116 HD1 TYR 13 HD1 TYR 13 63.530 -4.908 9.096 117 HD2 TYR 13 HD2 TYR 13 59.672 -5.083 7.218 118 HE1 TYR 13 HE1 TYR 13 64.295 -3.293 7.378 119 HE2 TYR 13 HE2 TYR 13 60.438 -3.468 5.499 120 HH TYR 13 HH TYR 13 62.065 -2.003 4.949 121 H LYS 14 HN LYS 14 63.573 -6.679 11.503 122 HA LYS 14 HA LYS 14 62.609 -8.940 13.117 123 1HB LYS 14 HB2 LYS 14 64.766 -6.890 13.340 124 2HB LYS 14 HB1 LYS 14 64.148 -7.575 14.844 125 1HG LYS 14 HG2 LYS 14 64.847 -9.733 14.309 126 2HG LYS 14 HG1 LYS 14 64.851 -9.410 12.575 127 1HD LYS 14 HD2 LYS 14 67.057 -8.994 12.702 128 2HD LYS 14 HD1 LYS 14 66.696 -7.595 13.715 129 1HE LYS 14 HE2 LYS 14 66.801 -8.960 15.725 130 2HE LYS 14 HE1 LYS 14 66.998 -10.424 14.762 131 1HZ LYS 14 HZ2 LYS 14 68.895 -8.232 14.355 132 2HZ LYS 14 HZ1 LYS 14 69.052 -9.169 15.763 133 3HZ LYS 14 HZ3 LYS 14 69.136 -9.910 14.240 134 H HIS 15 HN HIS 15 60.522 -7.162 12.482 135 HA HIS 15 HA HIS 15 59.514 -6.539 15.112 136 1HB HIS 15 HB2 HIS 15 61.080 -4.520 13.837 137 2HB HIS 15 HB1 HIS 15 59.397 -3.996 13.814 138 HD1 HIS 15 HD1 HIS 15 62.283 -4.004 15.956 139 HD2 HIS 15 HD2 HIS 15 58.175 -4.349 16.580 140 HE1 HIS 15 HE1 HIS 15 61.884 -3.484 18.403 141 H SER 16 HN SER 16 57.545 -7.437 14.628 142 HA SER 16 HA SER 16 56.180 -7.682 12.269 143 1HB SER 16 HB2 SER 16 55.227 -8.550 14.300 144 2HB SER 16 HB1 SER 16 55.040 -6.932 14.970 145 HG SER 16 HG SER 16 53.400 -8.318 13.342 146 H VAL 17 HN VAL 17 56.121 -4.678 14.250 147 HA VAL 17 HA VAL 17 54.271 -3.257 12.638 148 HB VAL 17 HB VAL 17 56.577 -2.211 14.303 149 1HG1 VAL 17 HG12 VAL 17 54.663 -0.893 12.558 150 2HG1 VAL 17 HG11 VAL 17 54.468 -0.360 14.229 151 3HG1 VAL 17 HG13 VAL 17 56.032 -0.204 13.430 152 1HG2 VAL 17 HG22 VAL 17 54.281 -3.588 15.080 153 2HG2 VAL 17 HG21 VAL 17 55.261 -2.551 16.115 154 3HG2 VAL 17 HG23 VAL 17 53.844 -1.893 15.298 155 H VAL 18 HN VAL 18 57.832 -3.466 12.386 156 HA VAL 18 HA VAL 18 58.215 -1.515 10.389 157 HB VAL 18 HB VAL 18 59.639 -4.187 10.444 158 1HG1 VAL 18 HG13 VAL 18 59.970 -2.383 8.596 159 2HG1 VAL 18 HG12 VAL 18 60.802 -1.480 9.861 160 3HG1 VAL 18 HG11 VAL 18 61.401 -3.061 9.372 161 1HG2 VAL 18 HG22 VAL 18 59.393 -2.597 12.645 162 2HG2 VAL 18 HG21 VAL 18 60.805 -3.593 12.306 163 3HG2 VAL 18 HG23 VAL 18 60.810 -1.884 11.880 164 H LYS 19 HN LYS 19 56.602 -4.563 10.234 165 HA LYS 19 HA LYS 19 56.856 -5.074 7.424 166 1HB LYS 19 HB2 LYS 19 55.902 -6.594 9.313 167 2HB LYS 19 HB1 LYS 19 54.382 -5.752 9.008 168 1HG LYS 19 HG2 LYS 19 54.657 -6.342 6.562 169 2HG LYS 19 HG1 LYS 19 56.010 -7.371 7.034 170 1HD LYS 19 HD2 LYS 19 54.045 -8.132 8.814 171 2HD LYS 19 HD1 LYS 19 53.125 -7.826 7.340 172 1HE LYS 19 HE2 LYS 19 55.297 -9.182 6.357 173 2HE LYS 19 HE1 LYS 19 55.075 -9.956 7.926 174 1HZ LYS 19 HZ2 LYS 19 52.954 -9.570 5.883 175 2HZ LYS 19 HZ1 LYS 19 53.765 -11.030 6.194 176 3HZ LYS 19 HZ3 LYS 19 52.766 -10.348 7.382 177 H LYS 20 HN LYS 20 54.134 -3.594 9.241 178 HA LYS 20 HA LYS 20 52.649 -2.754 6.987 179 1HB LYS 20 HB2 LYS 20 51.656 -2.624 9.178 180 2HB LYS 20 HB1 LYS 20 52.912 -1.520 9.736 181 1HG LYS 20 HG2 LYS 20 51.516 0.159 9.141 182 2HG LYS 20 HG1 LYS 20 51.893 -0.253 7.467 183 1HD LYS 20 HD2 LYS 20 49.489 -0.270 7.704 184 2HD LYS 20 HD1 LYS 20 50.023 -1.944 7.550 185 1HE LYS 20 HE2 LYS 20 48.655 -2.171 9.393 186 2HE LYS 20 HE1 LYS 20 50.159 -1.747 10.212 187 1HZ LYS 20 HZ3 LYS 20 49.144 0.665 9.616 188 2HZ LYS 20 HZ2 LYS 20 47.727 -0.222 9.917 189 3HZ LYS 20 HZ1 LYS 20 48.936 -0.120 11.105 190 H CYS 21 HN CYS 21 55.207 -1.075 8.792 191 HA CYS 21 HA CYS 21 55.188 1.399 7.472 192 1HB CYS 21 HB2 CYS 21 57.506 -0.216 8.564 193 2HB CYS 21 HB1 CYS 21 57.651 1.458 8.030 194 H CYS 22 HN CYS 22 57.120 -1.484 6.577 195 HA CYS 22 HA CYS 22 58.041 -0.291 4.111 196 1HB CYS 22 HB2 CYS 22 59.411 -2.034 4.912 197 2HB CYS 22 HB1 CYS 22 58.038 -3.084 5.250 198 H TYR 23 HN TYR 23 55.128 -1.789 5.137 199 HA TYR 23 HA TYR 23 54.221 -2.845 2.637 200 1HB TYR 23 HB2 TYR 23 53.151 -2.418 5.259 201 2HB TYR 23 HB1 TYR 23 51.988 -1.864 4.068 202 HD1 TYR 23 HD2 TYR 23 51.721 -3.435 1.946 203 HD2 TYR 23 HD1 TYR 23 53.179 -4.641 5.792 204 HE1 TYR 23 HE2 TYR 23 51.144 -5.791 1.419 205 HE2 TYR 23 HE1 TYR 23 52.612 -6.962 5.266 206 HH TYR 23 HH TYR 23 50.650 -8.032 3.382 207 H ASP 24 HN ASP 24 53.507 0.262 4.266 208 HA ASP 24 HA ASP 24 52.198 1.394 1.952 209 1HB ASP 24 HB2 ASP 24 53.555 3.084 4.035 210 2HB ASP 24 HB1 ASP 24 52.027 3.366 3.203 211 H GLY 25 HN GLY 25 55.471 1.736 3.338 212 1HA GLY 25 HA2 GLY 25 56.636 3.559 1.632 213 2HA GLY 25 HA1 GLY 25 57.497 2.114 2.181 214 H ALA 26 HN ALA 26 56.394 0.048 0.929 215 HA ALA 26 HA ALA 26 57.228 0.283 -1.803 216 1HB ALA 26 HB3 ALA 26 56.667 -1.811 -0.110 217 2HB ALA 26 HB2 ALA 26 55.301 -1.868 -1.224 218 3HB ALA 26 HB1 ALA 26 56.949 -1.973 -1.843 219 H CYS 27 HN CYS 27 54.033 0.401 -0.246 220 HA CYS 27 HA CYS 27 52.676 0.681 -2.841 221 1HB CYS 27 HB2 CYS 27 51.521 1.071 -0.067 222 2HB CYS 27 HB1 CYS 27 50.633 0.758 -1.558 223 HG CYS 27 HG CYS 27 51.392 -1.416 0.134 224 H VAL 28 HN VAL 28 54.630 2.713 -1.434 225 HA VAL 28 HA VAL 28 53.767 5.098 -0.634 226 HB VAL 28 HB VAL 28 56.022 4.989 -1.356 227 1HG1 VAL 28 HG11 VAL 28 54.807 3.790 -3.735 228 2HG1 VAL 28 HG13 VAL 28 56.092 4.933 -4.128 229 3HG1 VAL 28 HG12 VAL 28 56.423 3.566 -3.065 230 1HG2 VAL 28 HG22 VAL 28 54.645 7.176 -1.871 231 2HG2 VAL 28 HG21 VAL 28 56.292 7.021 -2.481 232 3HG2 VAL 28 HG23 VAL 28 54.925 6.725 -3.553 233 H ASN 29 HN ASN 29 52.481 6.821 -1.306 234 HA ASN 29 HA ASN 29 50.321 6.382 -3.056 235 1HB ASN 29 HB2 ASN 29 51.276 8.522 -1.455 236 2HB ASN 29 HB1 ASN 29 50.987 9.180 -3.067 237 1HD2 ASN 29 HD22 ASN 29 47.687 9.448 -1.543 238 2HD2 ASN 29 HD21 ASN 29 49.174 10.266 -1.574 239 H ASN 30 HN ASN 30 50.141 8.401 -4.903 240 HA ASN 30 HA ASN 30 52.015 7.453 -6.974 241 1HB ASN 30 HB2 ASN 30 50.558 8.531 -8.546 242 2HB ASN 30 HB1 ASN 30 49.516 7.751 -7.355 243 1HD2 ASN 30 HD22 ASN 30 48.276 10.815 -6.036 244 2HD2 ASN 30 HD21 ASN 30 48.401 9.140 -5.792 245 H ASP 31 HN ASP 31 53.130 9.087 -4.854 246 HA ASP 31 HA ASP 31 54.260 11.228 -6.552 247 1HB ASP 31 HB2 ASP 31 53.830 12.993 -5.001 248 2HB ASP 31 HB1 ASP 31 52.291 12.156 -5.206 249 H GLU 32 HN GLU 32 56.364 11.863 -5.859 250 HA GLU 32 HA GLU 32 58.077 9.964 -4.829 251 1HB GLU 32 HB2 GLU 32 58.229 12.968 -4.464 252 2HB GLU 32 HB1 GLU 32 59.566 11.866 -4.138 253 1HG GLU 32 HG2 GLU 32 59.979 11.502 -6.353 254 2HG GLU 32 HG1 GLU 32 58.268 11.544 -6.782 255 H THR 33 HN THR 33 57.537 12.746 -2.704 256 HA THR 33 HA THR 33 58.140 11.591 -0.288 257 HB THR 33 HB THR 33 56.071 13.121 0.531 258 HG1 THR 33 HG1 THR 33 56.167 14.861 -1.171 259 1HG2 THR 33 HG23 THR 33 58.524 13.457 0.915 260 2HG2 THR 33 HG22 THR 33 58.622 14.236 -0.665 261 3HG2 THR 33 HG21 THR 33 57.653 14.961 0.618 262 H CYS 34 HN CYS 34 57.512 9.418 -0.150 263 HA CYS 34 HA CYS 34 54.830 8.469 -0.515 264 1HB CYS 34 HB2 CYS 34 55.840 6.750 1.399 265 2HB CYS 34 HB1 CYS 34 55.997 6.535 -0.334 266 H GLU 35 HN GLU 35 56.195 8.043 2.696 267 HA GLU 35 HA GLU 35 53.732 8.652 4.004 268 1HB GLU 35 HB2 GLU 35 56.574 8.660 5.038 269 2HB GLU 35 HB1 GLU 35 55.173 8.843 6.082 270 1HG GLU 35 HG2 GLU 35 55.145 6.556 4.179 271 2HG GLU 35 HG1 GLU 35 56.238 6.442 5.560 272 H GLN 36 HN GLN 36 56.518 10.641 3.115 273 HA GLN 36 HA GLN 36 55.924 12.998 4.549 274 1HB GLN 36 HB2 GLN 36 57.269 12.381 1.961 275 2HB GLN 36 HB1 GLN 36 56.704 14.040 2.165 276 1HG GLN 36 HG2 GLN 36 57.842 13.708 4.570 277 2HG GLN 36 HG1 GLN 36 58.823 12.564 3.655 278 1HE2 GLN 36 HE22 GLN 36 58.936 16.502 2.441 279 2HE2 GLN 36 HE21 GLN 36 57.484 15.875 3.056 280 H ARG 37 HN ARG 37 54.572 11.638 1.590 281 HA ARG 37 HA ARG 37 52.718 13.812 1.104 282 1HB ARG 37 HB2 ARG 37 53.186 12.366 -0.754 283 2HB ARG 37 HB1 ARG 37 52.817 10.923 0.190 284 1HG ARG 37 HG2 ARG 37 50.981 11.626 -1.399 285 2HG ARG 37 HG1 ARG 37 50.476 11.497 0.286 286 1HD ARG 37 HD2 ARG 37 50.738 13.924 0.568 287 2HD ARG 37 HD1 ARG 37 51.286 14.069 -1.102 288 HE ARG 37 HE ARG 37 49.029 13.584 -1.840 289 1HH1 ARG 37 HH21 ARG 37 48.615 11.920 0.816 290 2HH1 ARG 37 HH22 ARG 37 47.313 12.829 1.507 291 1HH2 ARG 37 HH12 ARG 37 47.713 15.533 -0.627 292 2HH2 ARG 37 HH11 ARG 37 46.804 14.876 0.693 293 H ALA 38 HN ALA 38 52.669 10.736 2.858 294 HA ALA 38 HA ALA 38 50.004 10.439 3.568 295 1HB ALA 38 HB3 ALA 38 51.984 9.057 4.407 296 2HB ALA 38 HB2 ALA 38 52.247 10.321 5.606 297 3HB ALA 38 HB1 ALA 38 50.747 9.399 5.614 298 H ALA 39 HN ALA 39 52.300 12.243 5.574 299 HA ALA 39 HA ALA 39 50.876 14.684 5.693 300 1HB ALA 39 HB3 ALA 39 49.996 12.591 7.672 301 2HB ALA 39 HB2 ALA 39 49.992 14.293 8.134 302 3HB ALA 39 HB1 ALA 39 49.012 13.746 6.773 303 H ARG 40 HN ARG 40 52.556 12.289 7.625 304 HA ARG 40 HA ARG 40 54.967 13.748 7.933 305 1HB ARG 40 HB2 ARG 40 52.879 14.692 9.643 306 2HB ARG 40 HB1 ARG 40 54.047 13.827 10.641 307 1HG ARG 40 HG2 ARG 40 55.878 15.160 9.632 308 2HG ARG 40 HG1 ARG 40 54.688 16.053 8.684 309 1HD ARG 40 HD2 ARG 40 53.869 16.055 11.437 310 2HD ARG 40 HD1 ARG 40 55.547 16.587 11.341 311 HE ARG 40 HE ARG 40 53.343 18.188 10.607 312 1HH1 ARG 40 HH12 ARG 40 56.627 18.118 10.347 313 2HH1 ARG 40 HH11 ARG 40 56.736 19.017 8.871 314 1HH2 ARG 40 HH21 ARG 40 53.331 18.885 8.229 315 2HH2 ARG 40 HH22 ARG 40 54.871 19.449 7.670 316 H ILE 41 HN ILE 41 56.304 11.986 8.161 317 HA ILE 41 HA ILE 41 55.384 9.438 8.949 318 HB ILE 41 HB ILE 41 57.591 9.867 7.801 319 1HG1 ILE 41 HG12 ILE 41 58.711 8.016 9.020 320 2HG1 ILE 41 HG11 ILE 41 57.534 8.199 10.320 321 1HG2 ILE 41 HG21 ILE 41 58.094 11.595 9.828 322 2HG2 ILE 41 HG23 ILE 41 58.902 10.153 10.443 323 3HG2 ILE 41 HG22 ILE 41 59.364 10.822 8.878 324 1HD1 ILE 41 HD13 ILE 41 56.616 7.822 7.475 325 2HD1 ILE 41 HD12 ILE 41 57.034 6.430 8.475 326 3HD1 ILE 41 HD11 ILE 41 55.732 7.513 8.969 327 H SER 42 HN SER 42 54.123 9.538 10.743 328 HA SER 42 HA SER 42 55.671 9.787 13.223 329 1HB SER 42 HB2 SER 42 54.254 11.297 14.247 330 2HB SER 42 HB1 SER 42 54.200 11.886 12.585 331 HG SER 42 HG SER 42 52.158 11.420 12.594 332 H LEU 43 HN LEU 43 55.111 7.450 12.051 333 HA LEU 43 HA LEU 43 52.904 6.454 13.746 334 1HB LEU 43 HB2 LEU 43 54.027 5.298 11.175 335 2HB LEU 43 HB1 LEU 43 52.821 4.489 12.177 336 HG LEU 43 HG LEU 43 51.895 7.140 11.771 337 1HD1 LEU 43 HD11 LEU 43 53.514 7.156 9.845 338 2HD1 LEU 43 HD13 LEU 43 52.645 5.780 9.167 339 3HD1 LEU 43 HD12 LEU 43 51.828 7.332 9.354 340 1HD2 LEU 43 HD23 LEU 43 50.570 5.035 12.067 341 2HD2 LEU 43 HD22 LEU 43 50.034 5.993 10.685 342 3HD2 LEU 43 HD21 LEU 43 51.028 4.558 10.432 343 H GLY 44 HN GLY 44 56.212 6.647 13.407 344 1HA GLY 44 HA2 GLY 44 57.016 5.323 15.646 345 2HA GLY 44 HA1 GLY 44 56.833 3.987 14.509 346 HA PRO 45 HA PRO 45 61.027 6.159 13.860 347 1HB PRO 45 HB2 PRO 45 62.583 4.448 15.281 348 2HB PRO 45 HB1 PRO 45 61.822 5.871 16.001 349 1HG PRO 45 HG2 PRO 45 61.113 3.016 16.303 350 2HG PRO 45 HG1 PRO 45 60.911 4.359 17.437 351 1HD PRO 45 HD2 PRO 45 58.904 3.230 15.859 352 2HD PRO 45 HD1 PRO 45 58.801 4.768 16.716 353 H ARG 46 HN ARG 46 61.000 2.627 14.464 354 HA ARG 46 HA ARG 46 62.600 1.781 12.369 355 1HB ARG 46 HB2 ARG 46 61.669 -0.346 12.646 356 2HB ARG 46 HB1 ARG 46 61.239 0.421 14.172 357 1HG ARG 46 HG2 ARG 46 59.402 0.350 11.759 358 2HG ARG 46 HG1 ARG 46 59.342 -0.822 13.068 359 1HD ARG 46 HD2 ARG 46 59.360 1.879 14.117 360 2HD ARG 46 HD1 ARG 46 58.028 1.652 12.987 361 HE ARG 46 HE ARG 46 57.578 -0.484 14.436 362 1HH1 ARG 46 HH21 ARG 46 59.323 -0.341 16.618 363 2HH1 ARG 46 HH22 ARG 46 58.576 0.729 17.757 364 1HH2 ARG 46 HH12 ARG 46 56.418 2.127 15.428 365 2HH2 ARG 46 HH11 ARG 46 56.930 2.128 17.083 366 H CYS 47 HN CYS 47 59.367 3.048 12.230 367 HA CYS 47 HA CYS 47 58.590 2.266 9.585 368 1HB CYS 47 HB2 CYS 47 57.558 3.842 11.661 369 2HB CYS 47 HB1 CYS 47 57.798 4.974 10.324 370 H ILE 48 HN ILE 48 59.942 5.349 10.721 371 HA ILE 48 HA ILE 48 60.206 6.802 8.469 372 HB ILE 48 HB ILE 48 62.080 6.366 10.766 373 1HG1 ILE 48 HG12 ILE 48 61.556 8.723 11.174 374 2HG1 ILE 48 HG11 ILE 48 60.694 8.819 9.638 375 1HG2 ILE 48 HG21 ILE 48 62.688 7.970 8.280 376 2HG2 ILE 48 HG23 ILE 48 63.494 8.238 9.825 377 3HG2 ILE 48 HG22 ILE 48 63.665 6.689 8.998 378 1HD1 ILE 48 HD13 ILE 48 59.165 6.996 10.489 379 2HD1 ILE 48 HD12 ILE 48 59.945 7.167 12.059 380 3HD1 ILE 48 HD11 ILE 48 59.048 8.518 11.370 381 H LYS 49 HN LYS 49 62.883 4.555 9.336 382 HA LYS 49 HA LYS 49 63.848 4.638 6.580 383 1HB LYS 49 HB2 LYS 49 65.517 4.559 8.290 384 2HB LYS 49 HB1 LYS 49 64.770 3.151 9.044 385 1HG LYS 49 HG2 LYS 49 65.509 1.697 7.380 386 2HG LYS 49 HG1 LYS 49 65.645 2.981 6.178 387 1HD LYS 49 HD2 LYS 49 67.388 3.268 8.558 388 2HD LYS 49 HD1 LYS 49 67.781 1.927 7.481 389 1HE LYS 49 HE2 LYS 49 67.814 3.493 5.561 390 2HE LYS 49 HE1 LYS 49 67.464 4.829 6.657 391 1HZ LYS 49 HZ2 LYS 49 69.517 4.030 7.912 392 2HZ LYS 49 HZ1 LYS 49 69.897 3.164 6.501 393 3HZ LYS 49 HZ3 LYS 49 69.764 4.853 6.446 394 H ALA 50 HN ALA 50 61.707 2.547 8.351 395 HA ALA 50 HA ALA 50 62.206 0.211 6.723 396 1HB ALA 50 HB3 ALA 50 61.139 0.064 8.965 397 2HB ALA 50 HB2 ALA 50 59.749 0.952 8.344 398 3HB ALA 50 HB1 ALA 50 60.126 -0.651 7.714 399 H PHE 51 HN PHE 51 59.397 2.358 6.944 400 HA PHE 51 HA PHE 51 58.339 1.637 4.446 401 1HB PHE 51 HB2 PHE 51 56.703 3.160 4.900 402 2HB PHE 51 HB1 PHE 51 57.390 3.095 6.514 403 HD1 PHE 51 HD2 PHE 51 57.573 4.963 3.271 404 HD2 PHE 51 HD1 PHE 51 58.309 5.038 7.488 405 HE1 PHE 51 HE2 PHE 51 58.133 7.377 3.143 406 HE2 PHE 51 HE1 PHE 51 58.869 7.434 7.357 407 HZ PHE 51 HZ PHE 51 58.777 8.609 5.201 408 H THR 52 HN THR 52 60.367 4.426 5.403 409 HA THR 52 HA THR 52 60.449 5.630 2.849 410 HB THR 52 HB THR 52 62.619 5.549 4.963 411 HG1 THR 52 HG1 THR 52 61.683 7.785 5.149 412 1HG2 THR 52 HG22 THR 52 62.593 6.613 2.271 413 2HG2 THR 52 HG21 THR 52 62.782 7.909 3.453 414 3HG2 THR 52 HG23 THR 52 63.918 6.560 3.433 415 H GLU 53 HN GLU 53 62.437 3.055 4.206 416 HA GLU 53 HA GLU 53 64.270 2.802 2.041 417 1HB GLU 53 HB2 GLU 53 64.814 1.851 4.171 418 2HB GLU 53 HB1 GLU 53 63.350 0.874 4.145 419 1HG GLU 53 HG2 GLU 53 65.278 -0.510 3.540 420 2HG GLU 53 HG1 GLU 53 64.204 -0.332 2.153 421 H CYS 54 HN CYS 54 61.171 1.216 2.717 422 HA CYS 54 HA CYS 54 61.371 -0.541 0.397 423 1HB CYS 54 HB2 CYS 54 59.381 0.017 2.539 424 2HB CYS 54 HB1 CYS 54 58.760 -0.643 1.025 425 H CYS 55 HN CYS 55 60.139 2.618 1.085 426 HA CYS 55 HA CYS 55 58.544 2.777 -1.369 427 1HB CYS 55 HB2 CYS 55 57.560 4.177 0.165 428 2HB CYS 55 HB1 CYS 55 59.057 4.430 1.039 429 H VAL 56 HN VAL 56 61.763 3.505 -0.275 430 HA VAL 56 HA VAL 56 62.413 5.171 -2.603 431 HB VAL 56 HB VAL 56 64.226 3.863 -0.541 432 1HG1 VAL 56 HG11 VAL 56 64.715 6.014 -2.616 433 2HG1 VAL 56 HG13 VAL 56 65.856 5.585 -1.343 434 3HG1 VAL 56 HG12 VAL 56 65.427 4.401 -2.578 435 1HG2 VAL 56 HG21 VAL 56 62.388 5.898 -0.128 436 2HG2 VAL 56 HG23 VAL 56 63.815 5.589 0.861 437 3HG2 VAL 56 HG22 VAL 56 63.888 6.774 -0.444 438 H VAL 57 HN VAL 57 63.006 1.862 -1.476 439 HA VAL 57 HA VAL 57 64.584 1.120 -3.769 440 HB VAL 57 HB VAL 57 64.062 -1.200 -3.064 441 1HG1 VAL 57 HG12 VAL 57 64.870 0.844 -1.008 442 2HG1 VAL 57 HG11 VAL 57 64.786 -0.862 -0.572 443 3HG1 VAL 57 HG13 VAL 57 65.879 -0.330 -1.851 444 1HG2 VAL 57 HG21 VAL 57 62.184 0.202 -1.144 445 2HG2 VAL 57 HG23 VAL 57 61.738 -0.927 -2.421 446 3HG2 VAL 57 HG22 VAL 57 62.637 -1.498 -1.017 447 H ALA 58 HN ALA 58 61.199 0.909 -2.806 448 HA ALA 58 HA ALA 58 60.204 -0.247 -5.217 449 1HB ALA 58 HB3 ALA 58 59.022 1.508 -3.062 450 2HB ALA 58 HB2 ALA 58 58.079 1.084 -4.491 451 3HB ALA 58 HB1 ALA 58 58.663 -0.183 -3.412 452 H SER 59 HN SER 59 61.181 2.912 -4.177 453 HA SER 59 HA SER 59 60.053 4.518 -6.225 454 1HB SER 59 HB2 SER 59 61.498 5.038 -4.059 455 2HB SER 59 HB1 SER 59 62.768 5.174 -5.265 456 HG SER 59 HG SER 59 61.868 7.155 -5.226 457 H GLN 60 HN GLN 60 63.211 2.919 -6.016 458 HA GLN 60 HA GLN 60 64.115 3.706 -8.631 459 1HB GLN 60 HB2 GLN 60 65.124 2.284 -6.383 460 2HB GLN 60 HB1 GLN 60 65.292 1.243 -7.799 461 1HG GLN 60 HG2 GLN 60 66.725 2.713 -8.877 462 2HG GLN 60 HG1 GLN 60 66.041 4.124 -8.065 463 1HE2 GLN 60 HE22 GLN 60 68.284 3.971 -5.331 464 2HE2 GLN 60 HE21 GLN 60 66.934 4.742 -6.014 465 H LEU 61 HN LEU 61 62.181 1.090 -7.395 466 HA LEU 61 HA LEU 61 62.440 -0.639 -9.684 467 1HB LEU 61 HB2 LEU 61 60.419 -0.389 -7.454 468 2HB LEU 61 HB1 LEU 61 60.293 -1.620 -8.700 469 HG LEU 61 HG LEU 61 62.485 -1.254 -6.689 470 1HD1 LEU 61 HD13 LEU 61 60.404 -3.341 -7.283 471 2HD1 LEU 61 HD12 LEU 61 61.881 -3.776 -6.422 472 3HD1 LEU 61 HD11 LEU 61 60.787 -2.571 -5.744 473 1HD2 LEU 61 HD23 LEU 61 62.513 -2.532 -9.363 474 2HD2 LEU 61 HD22 LEU 61 63.854 -1.899 -8.409 475 3HD2 LEU 61 HD21 LEU 61 63.194 -3.495 -8.052 476 H ARG 62 HN ARG 62 60.272 1.989 -8.735 477 HA ARG 62 HA ARG 62 58.851 1.679 -11.312 478 1HB ARG 62 HB2 ARG 62 57.186 3.238 -10.386 479 2HB ARG 62 HB1 ARG 62 57.441 1.873 -9.299 480 1HG ARG 62 HG2 ARG 62 58.919 3.207 -7.901 481 2HG ARG 62 HG1 ARG 62 58.818 4.559 -9.025 482 1HD ARG 62 HD2 ARG 62 57.280 5.068 -7.268 483 2HD ARG 62 HD1 ARG 62 56.293 4.526 -8.624 484 HE ARG 62 HE ARG 62 56.531 3.186 -6.066 485 1HH1 ARG 62 HH21 ARG 62 57.141 0.768 -6.874 486 2HH1 ARG 62 HH22 ARG 62 55.864 0.135 -7.858 487 1HH2 ARG 62 HH12 ARG 62 54.435 3.236 -8.462 488 2HH2 ARG 62 HH11 ARG 62 54.333 1.533 -8.758 489 H ALA 63 HN ALA 63 61.503 3.346 -10.174 490 HA ALA 63 HA ALA 63 60.908 5.864 -11.597 491 1HB ALA 63 HB3 ALA 63 63.163 4.869 -9.875 492 2HB ALA 63 HB2 ALA 63 63.395 6.285 -10.901 493 3HB ALA 63 HB1 ALA 63 62.146 6.292 -9.656 494 H ASN 64 HN ASN 64 62.665 2.875 -12.105 495 HA ASN 64 HA ASN 64 63.630 3.981 -14.714 496 1HB ASN 64 HB2 ASN 64 65.012 2.515 -12.620 497 2HB ASN 64 HB1 ASN 64 65.107 1.663 -14.162 498 1HD2 ASN 64 HD22 ASN 64 67.935 3.937 -14.407 499 2HD2 ASN 64 HD21 ASN 64 67.520 2.441 -13.719 500 H ILE 65 HN ILE 65 61.893 1.430 -13.090 501 HA ILE 65 HA ILE 65 61.693 -0.121 -15.616 502 HB ILE 65 HB ILE 65 60.383 -0.870 -13.007 503 1HG1 ILE 65 HG12 ILE 65 63.243 -1.502 -13.792 504 2HG1 ILE 65 HG11 ILE 65 62.802 -0.262 -12.618 505 1HG2 ILE 65 HG23 ILE 65 60.977 -2.109 -15.600 506 2HG2 ILE 65 HG22 ILE 65 61.473 -3.101 -14.228 507 3HG2 ILE 65 HG21 ILE 65 59.795 -2.576 -14.376 508 1HD1 ILE 65 HD13 ILE 65 61.864 -3.123 -12.359 509 2HD1 ILE 65 HD12 ILE 65 63.389 -2.569 -11.665 510 3HD1 ILE 65 HD11 ILE 65 61.866 -1.863 -11.124 511 H SER 66 HN SER 66 59.290 -1.089 -15.824 512 HA SER 66 HA SER 66 57.071 0.514 -15.018 513 1HB SER 66 HB2 SER 66 57.970 2.277 -16.397 514 2HB SER 66 HB1 SER 66 58.267 1.160 -17.726 515 HG SER 66 HG SER 66 56.197 1.190 -18.224 516 H HIS 67 HN HIS 67 57.710 -2.255 -15.332 517 HA HIS 67 HA HIS 67 55.468 -3.046 -17.105 518 1HB HIS 67 HB2 HIS 67 58.219 -3.405 -17.787 519 2HB HIS 67 HB1 HIS 67 57.536 -4.988 -17.423 520 HD1 HIS 67 HD1 HIS 67 58.263 -4.077 -20.349 521 HD2 HIS 67 HD2 HIS 67 54.452 -3.877 -18.671 522 HE1 HIS 67 HE1 HIS 67 56.629 -4.052 -22.284 523 H LYS 68 HN LYS 68 56.005 -5.867 -16.823 524 HA LYS 68 HA LYS 68 54.663 -6.615 -14.559 525 1HB LYS 68 HB2 LYS 68 55.757 -8.090 -16.406 526 2HB LYS 68 HB1 LYS 68 57.134 -8.166 -15.308 527 1HG LYS 68 HG2 LYS 68 55.683 -9.032 -13.522 528 2HG LYS 68 HG1 LYS 68 54.287 -8.932 -14.596 529 1HD LYS 68 HD2 LYS 68 54.955 -10.740 -15.865 530 2HD LYS 68 HD1 LYS 68 56.669 -10.457 -15.556 531 1HE LYS 68 HE2 LYS 68 54.639 -11.637 -13.643 532 2HE LYS 68 HE1 LYS 68 56.037 -12.448 -14.347 533 1HZ LYS 68 HZ3 LYS 68 57.303 -10.483 -13.225 534 2HZ LYS 68 HZ2 LYS 68 55.930 -10.426 -12.225 535 3HZ LYS 68 HZ1 LYS 68 56.858 -11.846 -12.318 536 H ASP 69 HN ASP 69 58.123 -5.827 -14.677 537 HA ASP 69 HA ASP 69 58.637 -6.431 -11.925 538 1HB ASP 69 HB2 ASP 69 60.139 -5.528 -14.179 539 2HB ASP 69 HB1 ASP 69 60.379 -4.362 -12.878 540 H MET 70 HN MET 70 58.208 -3.330 -13.669 541 HA MET 70 HA MET 70 57.978 -1.780 -11.238 542 1HB MET 70 HB2 MET 70 58.596 -0.878 -13.530 543 2HB MET 70 HB1 MET 70 56.899 -1.058 -13.977 544 1HG MET 70 HG2 MET 70 57.398 0.353 -11.421 545 2HG MET 70 HG1 MET 70 57.920 1.206 -12.873 546 1HE MET 70 HE3 MET 70 56.788 2.681 -13.843 547 2HE MET 70 HE2 MET 70 55.053 2.974 -13.929 548 3HE MET 70 HE1 MET 70 55.908 3.226 -12.409 549 H GLN 71 HN GLN 71 55.450 -2.263 -13.727 550 HA GLN 71 HA GLN 71 53.220 -1.553 -12.282 551 1HB GLN 71 HB2 GLN 71 53.263 -2.433 -14.657 552 2HB GLN 71 HB1 GLN 71 53.299 -4.061 -13.980 553 1HG GLN 71 HG2 GLN 71 51.104 -3.999 -13.408 554 2HG GLN 71 HG1 GLN 71 51.214 -2.341 -12.818 555 1HE2 GLN 71 HE22 GLN 71 50.738 -2.711 -16.893 556 2HE2 GLN 71 HE21 GLN 71 51.827 -3.738 -16.092 557 H LEU 72 HN LEU 72 54.908 -4.712 -12.047 558 HA LEU 72 HA LEU 72 53.123 -5.368 -9.738 559 1HB LEU 72 HB2 LEU 72 54.261 -6.914 -11.882 560 2HB LEU 72 HB1 LEU 72 54.816 -7.558 -10.337 561 HG LEU 72 HG LEU 72 52.436 -7.549 -9.565 562 1HD1 LEU 72 HD11 LEU 72 51.804 -5.743 -11.216 563 2HD1 LEU 72 HD13 LEU 72 51.846 -6.976 -12.475 564 3HD1 LEU 72 HD12 LEU 72 50.685 -7.105 -11.154 565 1HD2 LEU 72 HD22 LEU 72 53.533 -9.186 -11.777 566 2HD2 LEU 72 HD21 LEU 72 52.826 -9.700 -10.246 567 3HD2 LEU 72 HD23 LEU 72 51.780 -9.263 -11.596 568 H GLY 73 HN GLY 73 56.462 -6.299 -10.455 569 1HA GLY 73 HA2 GLY 73 57.499 -6.563 -7.949 570 2HA GLY 73 HA1 GLY 73 58.446 -5.861 -9.259 571 H ARG 74 HN ARG 74 56.662 -3.525 -9.523 572 HA ARG 74 HA ARG 74 56.715 -1.303 -8.696 573 1HB ARG 74 HB2 ARG 74 56.287 -2.741 -6.056 574 2HB ARG 74 HB1 ARG 74 55.889 -1.060 -6.410 575 1HG ARG 74 HG2 ARG 74 54.657 -2.651 -8.420 576 2HG ARG 74 HG1 ARG 74 54.293 -3.404 -6.864 577 1HD ARG 74 HD2 ARG 74 53.902 -0.460 -7.486 578 2HD ARG 74 HD1 ARG 74 52.617 -1.667 -7.503 579 HE ARG 74 HE ARG 74 54.172 -1.370 -4.995 580 1HH1 ARG 74 HH12 ARG 74 51.742 -2.829 -4.675 581 2HH1 ARG 74 HH11 ARG 74 50.558 -1.637 -4.254 582 1HH2 ARG 74 HH21 ARG 74 52.458 1.037 -5.379 583 2HH2 ARG 74 HH22 ARG 74 50.963 0.550 -4.650 No H/Q in entry = 583 Start of MODEL 7 1 H MET 1 HN MET 1 57.085 -9.817 -10.119 2 HA MET 1 HA MET 1 55.252 -10.867 -8.682 3 1HB MET 1 HB2 MET 1 57.443 -10.495 -6.704 4 2HB MET 1 HB1 MET 1 55.759 -10.552 -6.204 5 1HG MET 1 HG2 MET 1 56.938 -12.783 -6.112 6 2HG MET 1 HG1 MET 1 55.478 -12.765 -7.096 7 1HE MET 1 HE1 MET 1 57.530 -14.722 -6.825 8 2HE MET 1 HE3 MET 1 57.027 -15.318 -8.413 9 3HE MET 1 HE2 MET 1 58.723 -14.959 -8.099 10 H LEU 2 HN LEU 2 53.718 -9.565 -7.752 11 HA LEU 2 HA LEU 2 53.757 -6.845 -8.499 12 1HB LEU 2 HB2 LEU 2 51.764 -8.341 -7.696 13 2HB LEU 2 HB1 LEU 2 52.241 -7.815 -6.081 14 HG LEU 2 HG LEU 2 52.056 -5.448 -6.822 15 1HD1 LEU 2 HD13 LEU 2 51.842 -6.763 -9.404 16 2HD1 LEU 2 HD12 LEU 2 50.481 -5.675 -9.133 17 3HD1 LEU 2 HD11 LEU 2 52.132 -5.062 -9.042 18 1HD2 LEU 2 HD21 LEU 2 50.022 -7.202 -6.167 19 2HD2 LEU 2 HD23 LEU 2 49.855 -5.449 -6.259 20 3HD2 LEU 2 HD22 LEU 2 49.417 -6.450 -7.643 21 H GLN 3 HN GLN 3 55.475 -8.533 -6.115 22 HA GLN 3 HA GLN 3 56.836 -6.189 -5.216 23 1HB GLN 3 HB2 GLN 3 55.883 -5.767 -3.097 24 2HB GLN 3 HB1 GLN 3 54.494 -5.988 -4.164 25 1HG GLN 3 HG2 GLN 3 55.050 -8.570 -3.326 26 2HG GLN 3 HG1 GLN 3 55.349 -7.605 -1.881 27 1HE2 GLN 3 HE22 GLN 3 51.909 -7.309 -1.244 28 2HE2 GLN 3 HE21 GLN 3 53.489 -7.425 -0.634 29 H LYS 4 HN LYS 4 57.906 -8.605 -6.055 30 HA LYS 4 HA LYS 4 58.370 -10.425 -3.844 31 1HB LYS 4 HB2 LYS 4 59.167 -10.263 -6.614 32 2HB LYS 4 HB1 LYS 4 60.578 -10.567 -5.610 33 1HG LYS 4 HG2 LYS 4 58.181 -12.130 -4.875 34 2HG LYS 4 HG1 LYS 4 58.884 -12.528 -6.442 35 1HD LYS 4 HD2 LYS 4 59.941 -13.912 -4.747 36 2HD LYS 4 HD1 LYS 4 61.118 -12.737 -5.332 37 1HE LYS 4 HE2 LYS 4 61.403 -12.001 -3.225 38 2HE LYS 4 HE1 LYS 4 59.710 -11.512 -3.180 39 1HZ LYS 4 HZ2 LYS 4 60.051 -14.338 -2.886 40 2HZ LYS 4 HZ1 LYS 4 60.851 -13.466 -1.669 41 3HZ LYS 4 HZ3 LYS 4 59.188 -13.245 -1.913 42 H LYS 5 HN LYS 5 59.835 -7.435 -4.890 43 HA LYS 5 HA LYS 5 62.208 -7.904 -3.237 44 1HB LYS 5 HB2 LYS 5 61.409 -5.990 -5.315 45 2HB LYS 5 HB1 LYS 5 62.352 -5.273 -4.008 46 1HG LYS 5 HG2 LYS 5 64.136 -6.871 -4.322 47 2HG LYS 5 HG1 LYS 5 63.169 -7.793 -5.475 48 1HD LYS 5 HD2 LYS 5 63.584 -6.340 -7.182 49 2HD LYS 5 HD1 LYS 5 63.511 -4.927 -6.129 50 1HE LYS 5 HE2 LYS 5 65.777 -6.284 -5.252 51 2HE LYS 5 HE1 LYS 5 65.835 -6.465 -7.004 52 1HZ LYS 5 HZ1 LYS 5 65.390 -3.875 -5.628 53 2HZ LYS 5 HZ3 LYS 5 66.912 -4.415 -6.146 54 3HZ LYS 5 HZ2 LYS 5 65.683 -4.124 -7.283 55 H ILE 6 HN ILE 6 59.123 -6.379 -2.901 56 HA ILE 6 HA ILE 6 60.063 -4.827 -0.548 57 HB ILE 6 HB ILE 6 57.252 -4.860 -1.628 58 1HG1 ILE 6 HG12 ILE 6 59.059 -4.508 -3.424 59 2HG1 ILE 6 HG11 ILE 6 57.837 -3.238 -3.269 60 1HG2 ILE 6 HG23 ILE 6 58.856 -3.280 0.268 61 2HG2 ILE 6 HG22 ILE 6 57.955 -2.298 -0.886 62 3HG2 ILE 6 HG21 ILE 6 57.105 -3.448 0.147 63 1HD1 ILE 6 HD13 ILE 6 60.166 -2.864 -1.511 64 2HD1 ILE 6 HD12 ILE 6 60.559 -2.817 -3.230 65 3HD1 ILE 6 HD11 ILE 6 59.359 -1.706 -2.569 66 H GLU 7 HN GLU 7 58.268 -7.683 -1.370 67 HA GLU 7 HA GLU 7 57.041 -7.929 1.285 68 1HB GLU 7 HB2 GLU 7 56.354 -10.177 0.479 69 2HB GLU 7 HB1 GLU 7 55.913 -8.921 -0.679 70 1HG GLU 7 HG2 GLU 7 56.990 -10.189 -2.214 71 2HG GLU 7 HG1 GLU 7 58.474 -9.598 -1.468 72 H GLU 8 HN GLU 8 59.912 -8.866 -0.412 73 HA GLU 8 HA GLU 8 60.802 -10.895 1.454 74 1HB GLU 8 HB2 GLU 8 62.913 -10.749 0.254 75 2HB GLU 8 HB1 GLU 8 61.602 -10.665 -0.922 76 1HG GLU 8 HG2 GLU 8 61.774 -8.187 -0.948 77 2HG GLU 8 HG1 GLU 8 63.098 -8.291 0.228 78 H ILE 9 HN ILE 9 61.558 -7.435 0.979 79 HA ILE 9 HA ILE 9 63.350 -7.325 3.242 80 HB ILE 9 HB ILE 9 63.211 -5.734 1.199 81 1HG1 ILE 9 HG12 ILE 9 64.783 -5.314 2.974 82 2HG1 ILE 9 HG11 ILE 9 63.959 -3.792 2.638 83 1HG2 ILE 9 HG22 ILE 9 60.811 -5.215 1.450 84 2HG2 ILE 9 HG21 ILE 9 61.140 -4.471 3.015 85 3HG2 ILE 9 HG23 ILE 9 61.797 -3.757 1.543 86 1HD1 ILE 9 HD11 ILE 9 62.307 -4.545 4.509 87 2HD1 ILE 9 HD13 ILE 9 63.597 -5.654 4.975 88 3HD1 ILE 9 HD12 ILE 9 63.885 -3.914 4.982 89 H ALA 10 HN ALA 10 59.982 -6.299 2.706 90 HA ALA 10 HA ALA 10 59.422 -5.313 5.285 91 1HB ALA 10 HB2 ALA 10 57.921 -5.561 3.113 92 2HB ALA 10 HB1 ALA 10 57.413 -7.052 3.902 93 3HB ALA 10 HB3 ALA 10 57.177 -5.502 4.709 94 H ALA 11 HN ALA 11 59.268 -8.616 4.006 95 HA ALA 11 HA ALA 11 58.461 -9.836 6.479 96 1HB ALA 11 HB1 ALA 11 59.611 -10.803 3.886 97 2HB ALA 11 HB3 ALA 11 59.602 -11.896 5.270 98 3HB ALA 11 HB2 ALA 11 58.086 -11.232 4.661 99 H LYS 12 HN LYS 12 61.593 -8.894 5.123 100 HA LYS 12 HA LYS 12 62.988 -10.433 7.214 101 1HB LYS 12 HB2 LYS 12 64.978 -9.942 6.122 102 2HB LYS 12 HB1 LYS 12 63.836 -9.867 4.783 103 1HG LYS 12 HG2 LYS 12 64.642 -7.797 4.392 104 2HG LYS 12 HG1 LYS 12 63.777 -7.291 5.844 105 1HD LYS 12 HD2 LYS 12 65.928 -6.604 6.378 106 2HD LYS 12 HD1 LYS 12 65.943 -8.234 7.050 107 1HE LYS 12 HE2 LYS 12 66.683 -8.772 4.497 108 2HE LYS 12 HE1 LYS 12 67.361 -7.155 4.681 109 1HZ LYS 12 HZ1 LYS 12 67.947 -8.471 7.022 110 2HZ LYS 12 HZ3 LYS 12 68.249 -9.609 5.801 111 3HZ LYS 12 HZ2 LYS 12 69.028 -8.099 5.765 112 H TYR 13 HN TYR 13 61.186 -8.621 8.332 113 HA TYR 13 HA TYR 13 63.022 -6.570 9.490 114 1HB TYR 13 HB2 TYR 13 60.054 -6.598 9.017 115 2HB TYR 13 HB1 TYR 13 60.733 -5.593 10.291 116 HD1 TYR 13 HD1 TYR 13 63.242 -4.641 9.275 117 HD2 TYR 13 HD2 TYR 13 59.549 -5.248 7.172 118 HE1 TYR 13 HE1 TYR 13 63.921 -2.946 7.596 119 HE2 TYR 13 HE2 TYR 13 60.230 -3.559 5.492 120 HH TYR 13 HH TYR 13 62.197 -2.502 4.639 121 H LYS 14 HN LYS 14 63.397 -6.661 11.670 122 HA LYS 14 HA LYS 14 62.377 -9.004 13.127 123 1HB LYS 14 HB2 LYS 14 64.788 -7.941 13.201 124 2HB LYS 14 HB1 LYS 14 64.059 -6.858 14.387 125 1HG LYS 14 HG2 LYS 14 63.679 -8.559 15.916 126 2HG LYS 14 HG1 LYS 14 63.592 -9.802 14.666 127 1HD LYS 14 HD2 LYS 14 66.071 -9.399 14.259 128 2HD LYS 14 HD1 LYS 14 66.068 -8.427 15.731 129 1HE LYS 14 HE2 LYS 14 65.330 -10.324 17.051 130 2HE LYS 14 HE1 LYS 14 65.131 -11.306 15.599 131 1HZ LYS 14 HZ1 LYS 14 67.746 -10.108 15.939 132 2HZ LYS 14 HZ3 LYS 14 67.342 -11.283 17.092 133 3HZ LYS 14 HZ2 LYS 14 67.322 -11.675 15.440 134 H HIS 15 HN HIS 15 60.295 -7.250 12.493 135 HA HIS 15 HA HIS 15 59.201 -6.715 15.113 136 1HB HIS 15 HB2 HIS 15 60.738 -4.626 13.906 137 2HB HIS 15 HB1 HIS 15 59.041 -4.147 13.873 138 HD1 HIS 15 HD1 HIS 15 61.919 -4.331 16.094 139 HD2 HIS 15 HD2 HIS 15 57.778 -4.405 16.577 140 HE1 HIS 15 HE1 HIS 15 61.473 -3.832 18.537 141 H SER 16 HN SER 16 57.229 -7.571 14.630 142 HA SER 16 HA SER 16 55.940 -7.815 12.203 143 1HB SER 16 HB2 SER 16 54.867 -8.828 14.028 144 2HB SER 16 HB1 SER 16 54.851 -7.339 14.967 145 HG SER 16 HG SER 16 52.845 -8.139 13.769 146 H VAL 17 HN VAL 17 55.811 -4.856 14.253 147 HA VAL 17 HA VAL 17 53.921 -3.456 12.660 148 HB VAL 17 HB VAL 17 56.183 -2.374 14.362 149 1HG1 VAL 17 HG13 VAL 17 54.986 -0.861 12.592 150 2HG1 VAL 17 HG12 VAL 17 53.621 -0.938 13.706 151 3HG1 VAL 17 HG11 VAL 17 55.161 -0.268 14.243 152 1HG2 VAL 17 HG22 VAL 17 54.108 -3.915 15.198 153 2HG2 VAL 17 HG21 VAL 17 54.818 -2.636 16.182 154 3HG2 VAL 17 HG23 VAL 17 53.352 -2.321 15.253 155 H VAL 18 HN VAL 18 57.468 -3.698 12.379 156 HA VAL 18 HA VAL 18 57.826 -1.645 10.451 157 HB VAL 18 HB VAL 18 59.333 -4.270 10.476 158 1HG1 VAL 18 HG12 VAL 18 59.939 -1.439 9.629 159 2HG1 VAL 18 HG11 VAL 18 61.205 -2.640 9.867 160 3HG1 VAL 18 HG13 VAL 18 59.970 -2.893 8.633 161 1HG2 VAL 18 HG22 VAL 18 58.984 -2.720 12.705 162 2HG2 VAL 18 HG21 VAL 18 60.415 -3.699 12.390 163 3HG2 VAL 18 HG23 VAL 18 60.417 -1.985 11.992 164 H LYS 19 HN LYS 19 56.276 -4.718 10.224 165 HA LYS 19 HA LYS 19 56.612 -5.174 7.407 166 1HB LYS 19 HB2 LYS 19 55.207 -6.401 9.553 167 2HB LYS 19 HB1 LYS 19 54.023 -6.064 8.291 168 1HG LYS 19 HG2 LYS 19 54.777 -7.895 7.218 169 2HG LYS 19 HG1 LYS 19 56.282 -7.021 6.930 170 1HD LYS 19 HD2 LYS 19 57.170 -8.796 8.082 171 2HD LYS 19 HD1 LYS 19 56.721 -7.805 9.471 172 1HE LYS 19 HE2 LYS 19 54.766 -9.054 9.887 173 2HE LYS 19 HE1 LYS 19 54.760 -9.752 8.268 174 1HZ LYS 19 HZ2 LYS 19 57.186 -10.387 9.535 175 2HZ LYS 19 HZ1 LYS 19 55.909 -10.800 10.578 176 3HZ LYS 19 HZ3 LYS 19 55.961 -11.439 9.007 177 H LYS 20 HN LYS 20 54.031 -3.558 9.279 178 HA LYS 20 HA LYS 20 52.482 -2.753 7.013 179 1HB LYS 20 HB2 LYS 20 51.345 -2.579 9.058 180 2HB LYS 20 HB1 LYS 20 52.709 -1.799 9.857 181 1HG LYS 20 HG2 LYS 20 52.035 0.268 9.218 182 2HG LYS 20 HG1 LYS 20 51.699 -0.260 7.568 183 1HD LYS 20 HD2 LYS 20 49.523 0.067 8.162 184 2HD LYS 20 HD1 LYS 20 49.688 -1.508 8.938 185 1HE LYS 20 HE2 LYS 20 48.900 -0.248 10.721 186 2HE LYS 20 HE1 LYS 20 50.641 -0.061 10.942 187 1HZ LYS 20 HZ3 LYS 20 49.892 1.891 9.146 188 2HZ LYS 20 HZ2 LYS 20 48.692 1.912 10.348 189 3HZ LYS 20 HZ1 LYS 20 50.325 2.113 10.771 190 H CYS 21 HN CYS 21 54.997 -1.073 8.894 191 HA CYS 21 HA CYS 21 55.020 1.396 7.584 192 1HB CYS 21 HB2 CYS 21 57.306 -0.255 8.689 193 2HB CYS 21 HB1 CYS 21 57.503 1.402 8.127 194 H CYS 22 HN CYS 22 56.871 -1.528 6.653 195 HA CYS 22 HA CYS 22 57.858 -0.335 4.214 196 1HB CYS 22 HB2 CYS 22 59.125 -2.169 5.008 197 2HB CYS 22 HB1 CYS 22 57.694 -3.168 5.255 198 H TYR 23 HN TYR 23 54.914 -1.925 5.172 199 HA TYR 23 HA TYR 23 53.985 -2.772 2.629 200 1HB TYR 23 HB2 TYR 23 52.876 -2.381 5.250 201 2HB TYR 23 HB1 TYR 23 51.762 -1.756 4.048 202 HD1 TYR 23 HD2 TYR 23 51.416 -3.250 1.912 203 HD2 TYR 23 HD1 TYR 23 52.884 -4.629 5.695 204 HE1 TYR 23 HE2 TYR 23 50.763 -5.569 1.312 205 HE2 TYR 23 HE1 TYR 23 52.243 -6.913 5.100 206 HH TYR 23 HH TYR 23 50.430 -7.657 2.162 207 H ASP 24 HN ASP 24 53.372 0.296 4.363 208 HA ASP 24 HA ASP 24 52.119 1.597 2.139 209 1HB ASP 24 HB2 ASP 24 53.686 3.035 4.282 210 2HB ASP 24 HB1 ASP 24 52.244 3.584 3.428 211 H GLY 25 HN GLY 25 55.487 1.641 3.361 212 1HA GLY 25 HA2 GLY 25 56.693 3.432 1.651 213 2HA GLY 25 HA1 GLY 25 57.469 1.907 2.096 214 H ALA 26 HN ALA 26 56.126 -0.014 0.834 215 HA ALA 26 HA ALA 26 56.828 0.251 -1.924 216 1HB ALA 26 HB2 ALA 26 56.063 -1.835 -0.243 217 2HB ALA 26 HB1 ALA 26 54.746 -1.735 -1.412 218 3HB ALA 26 HB3 ALA 26 56.404 -1.971 -1.968 219 H CYS 27 HN CYS 27 53.757 0.659 -0.180 220 HA CYS 27 HA CYS 27 52.334 1.221 -2.712 221 1HB CYS 27 HB2 CYS 27 51.519 0.927 0.168 222 2HB CYS 27 HB1 CYS 27 50.430 1.704 -0.981 223 HG CYS 27 HG CYS 27 50.071 -0.483 -2.164 224 H VAL 28 HN VAL 28 54.489 2.976 -1.309 225 HA VAL 28 HA VAL 28 53.842 5.332 -0.221 226 HB VAL 28 HB VAL 28 56.038 5.163 -1.072 227 1HG1 VAL 28 HG11 VAL 28 54.622 4.433 -3.594 228 2HG1 VAL 28 HG13 VAL 28 56.193 5.220 -3.743 229 3HG1 VAL 28 HG12 VAL 28 56.047 3.704 -2.853 230 1HG2 VAL 28 HG21 VAL 28 54.575 7.430 -1.555 231 2HG2 VAL 28 HG23 VAL 28 56.317 7.306 -1.802 232 3HG2 VAL 28 HG22 VAL 28 55.216 7.085 -3.162 233 H ASN 29 HN ASN 29 52.793 7.285 -0.746 234 HA ASN 29 HA ASN 29 50.414 7.229 -2.191 235 1HB ASN 29 HB2 ASN 29 51.911 9.187 -0.830 236 2HB ASN 29 HB1 ASN 29 51.627 9.847 -2.441 237 1HD2 ASN 29 HD22 ASN 29 48.639 10.042 0.133 238 2HD2 ASN 29 HD21 ASN 29 50.285 9.942 0.538 239 H ASN 30 HN ASN 30 53.265 9.012 -3.423 240 HA ASN 30 HA ASN 30 53.219 7.688 -5.987 241 1HB ASN 30 HB2 ASN 30 52.551 10.001 -7.126 242 2HB ASN 30 HB1 ASN 30 51.321 8.821 -6.670 243 1HD2 ASN 30 HD22 ASN 30 51.196 12.443 -4.993 244 2HD2 ASN 30 HD21 ASN 30 52.106 12.076 -6.378 245 H ASP 31 HN ASP 31 53.696 11.149 -5.265 246 HA ASP 31 HA ASP 31 56.238 11.274 -6.536 247 1HB ASP 31 HB2 ASP 31 56.487 13.443 -5.409 248 2HB ASP 31 HB1 ASP 31 54.846 13.266 -6.031 249 H GLU 32 HN GLU 32 58.333 11.729 -5.414 250 HA GLU 32 HA GLU 32 59.363 9.698 -3.915 251 1HB GLU 32 HB2 GLU 32 60.031 12.561 -4.172 252 2HB GLU 32 HB1 GLU 32 60.679 11.782 -2.728 253 1HG GLU 32 HG2 GLU 32 62.310 11.508 -4.485 254 2HG GLU 32 HG1 GLU 32 61.550 9.938 -4.220 255 H THR 33 HN THR 33 58.618 12.712 -2.139 256 HA THR 33 HA THR 33 58.598 11.807 0.438 257 HB THR 33 HB THR 33 56.535 13.400 0.738 258 HG1 THR 33 HG1 THR 33 57.348 14.081 -1.882 259 1HG2 THR 33 HG23 THR 33 59.195 13.785 0.807 260 2HG2 THR 33 HG22 THR 33 58.800 14.825 -0.561 261 3HG2 THR 33 HG21 THR 33 58.044 15.107 1.008 262 H CYS 34 HN CYS 34 57.935 9.621 0.617 263 HA CYS 34 HA CYS 34 55.262 8.793 -0.215 264 1HB CYS 34 HB2 CYS 34 56.276 7.018 1.818 265 2HB CYS 34 HB1 CYS 34 56.039 6.701 0.111 266 H GLU 35 HN GLU 35 56.349 8.211 3.110 267 HA GLU 35 HA GLU 35 53.801 8.917 4.195 268 1HB GLU 35 HB2 GLU 35 56.524 8.838 5.531 269 2HB GLU 35 HB1 GLU 35 54.994 8.935 6.392 270 1HG GLU 35 HG2 GLU 35 54.908 6.803 4.445 271 2HG GLU 35 HG1 GLU 35 56.281 6.595 5.527 272 H GLN 36 HN GLN 36 56.713 10.683 3.421 273 HA GLN 36 HA GLN 36 56.236 13.125 4.779 274 1HB GLN 36 HB2 GLN 36 57.476 12.509 2.082 275 2HB GLN 36 HB1 GLN 36 57.409 14.147 2.731 276 1HG GLN 36 HG2 GLN 36 58.382 12.729 4.875 277 2HG GLN 36 HG1 GLN 36 59.123 11.885 3.516 278 1HE2 GLN 36 HE22 GLN 36 61.518 14.558 4.114 279 2HE2 GLN 36 HE21 GLN 36 61.099 13.027 4.712 280 H ARG 37 HN ARG 37 55.077 11.903 1.627 281 HA ARG 37 HA ARG 37 53.417 14.174 1.034 282 1HB ARG 37 HB2 ARG 37 53.914 12.544 -0.713 283 2HB ARG 37 HB1 ARG 37 53.168 11.254 0.230 284 1HG ARG 37 HG2 ARG 37 51.385 11.781 -1.135 285 2HG ARG 37 HG1 ARG 37 51.086 12.931 0.167 286 1HD ARG 37 HD2 ARG 37 52.942 14.181 -1.555 287 2HD ARG 37 HD1 ARG 37 51.719 13.459 -2.601 288 HE ARG 37 HE ARG 37 51.284 15.649 -0.693 289 1HH1 ARG 37 HH21 ARG 37 49.401 13.022 -0.908 290 2HH1 ARG 37 HH22 ARG 37 48.066 13.758 -1.730 291 1HH2 ARG 37 HH12 ARG 37 49.797 16.662 -2.501 292 2HH2 ARG 37 HH11 ARG 37 48.290 15.819 -2.631 293 H ALA 38 HN ALA 38 53.008 11.218 2.927 294 HA ALA 38 HA ALA 38 50.273 11.207 3.473 295 1HB ALA 38 HB2 ALA 38 52.204 9.735 4.467 296 2HB ALA 38 HB1 ALA 38 52.256 10.956 5.735 297 3HB ALA 38 HB3 ALA 38 50.781 10.032 5.459 298 H ALA 39 HN ALA 39 52.632 12.791 5.591 299 HA ALA 39 HA ALA 39 51.499 15.388 5.560 300 1HB ALA 39 HB2 ALA 39 49.545 14.043 6.567 301 2HB ALA 39 HB1 ALA 39 50.569 13.839 7.989 302 3HB ALA 39 HB3 ALA 39 50.081 15.455 7.478 303 H ARG 40 HN ARG 40 52.857 12.852 7.564 304 HA ARG 40 HA ARG 40 55.354 14.121 8.005 305 1HB ARG 40 HB2 ARG 40 53.196 14.962 9.806 306 2HB ARG 40 HB1 ARG 40 54.589 14.290 10.654 307 1HG ARG 40 HG2 ARG 40 55.991 15.819 9.073 308 2HG ARG 40 HG1 ARG 40 54.472 16.680 8.830 309 1HD ARG 40 HD2 ARG 40 55.159 16.064 11.648 310 2HD ARG 40 HD1 ARG 40 56.191 17.250 10.848 311 HE ARG 40 HE ARG 40 53.347 17.600 11.504 312 1HH1 ARG 40 HH21 ARG 40 56.182 19.224 11.143 313 2HH1 ARG 40 HH22 ARG 40 55.554 20.540 10.208 314 1HH2 ARG 40 HH12 ARG 40 52.480 19.031 9.658 315 2HH2 ARG 40 HH11 ARG 40 53.459 20.429 9.365 316 H ILE 41 HN ILE 41 56.387 12.147 7.991 317 HA ILE 41 HA ILE 41 55.328 9.700 8.794 318 HB ILE 41 HB ILE 41 57.565 9.939 7.684 319 1HG1 ILE 41 HG12 ILE 41 58.584 8.064 8.961 320 2HG1 ILE 41 HG11 ILE 41 57.433 8.356 10.263 321 1HG2 ILE 41 HG22 ILE 41 58.242 11.761 9.418 322 2HG2 ILE 41 HG21 ILE 41 58.682 10.394 10.439 323 3HG2 ILE 41 HG23 ILE 41 59.468 10.614 8.878 324 1HD1 ILE 41 HD11 ILE 41 56.558 7.837 7.417 325 2HD1 ILE 41 HD13 ILE 41 56.754 6.544 8.598 326 3HD1 ILE 41 HD12 ILE 41 55.564 7.818 8.871 327 H SER 42 HN SER 42 54.122 9.658 10.589 328 HA SER 42 HA SER 42 55.656 9.905 13.074 329 1HB SER 42 HB2 SER 42 54.204 11.372 14.126 330 2HB SER 42 HB1 SER 42 54.187 12.003 12.477 331 HG SER 42 HG SER 42 52.077 11.753 13.055 332 H LEU 43 HN LEU 43 55.251 7.558 12.023 333 HA LEU 43 HA LEU 43 52.981 6.513 13.605 334 1HB LEU 43 HB2 LEU 43 54.229 5.326 11.108 335 2HB LEU 43 HB1 LEU 43 52.928 4.583 12.039 336 HG LEU 43 HG LEU 43 52.355 7.365 11.340 337 1HD1 LEU 43 HD12 LEU 43 53.663 5.885 9.340 338 2HD1 LEU 43 HD11 LEU 43 51.949 5.790 8.937 339 3HD1 LEU 43 HD13 LEU 43 52.726 7.363 9.117 340 1HD2 LEU 43 HD23 LEU 43 51.017 4.908 11.846 341 2HD2 LEU 43 HD22 LEU 43 50.292 6.493 11.577 342 3HD2 LEU 43 HD21 LEU 43 50.571 5.408 10.215 343 H GLY 44 HN GLY 44 56.300 6.766 13.383 344 1HA GLY 44 HA2 GLY 44 57.110 5.514 15.626 345 2HA GLY 44 HA1 GLY 44 56.872 4.117 14.576 346 HA PRO 45 HA PRO 45 61.145 6.041 13.775 347 1HB PRO 45 HB2 PRO 45 62.624 4.230 15.157 348 2HB PRO 45 HB1 PRO 45 61.969 5.696 15.897 349 1HG PRO 45 HG2 PRO 45 61.091 2.891 16.208 350 2HG PRO 45 HG1 PRO 45 60.996 4.240 17.349 351 1HD PRO 45 HD2 PRO 45 58.891 3.239 15.812 352 2HD PRO 45 HD1 PRO 45 58.899 4.777 16.675 353 H ARG 46 HN ARG 46 60.830 2.515 14.348 354 HA ARG 46 HA ARG 46 62.371 1.603 12.215 355 1HB ARG 46 HB2 ARG 46 61.369 -0.476 12.527 356 2HB ARG 46 HB1 ARG 46 61.005 0.306 14.061 357 1HG ARG 46 HG2 ARG 46 59.098 0.334 11.701 358 2HG ARG 46 HG1 ARG 46 59.045 -0.880 12.974 359 1HD ARG 46 HD2 ARG 46 59.118 1.937 13.894 360 2HD ARG 46 HD1 ARG 46 57.639 1.429 13.083 361 HE ARG 46 HE ARG 46 57.799 -0.564 14.808 362 1HH1 ARG 46 HH12 ARG 46 59.896 0.347 16.533 363 2HH1 ARG 46 HH11 ARG 46 59.103 1.373 17.681 364 1HH2 ARG 46 HH21 ARG 46 56.258 1.788 15.743 365 2HH2 ARG 46 HH22 ARG 46 57.044 2.189 17.234 366 H CYS 47 HN CYS 47 59.247 3.102 12.155 367 HA CYS 47 HA CYS 47 58.385 2.314 9.521 368 1HB CYS 47 HB2 CYS 47 57.437 3.937 11.626 369 2HB CYS 47 HB1 CYS 47 57.612 5.018 10.238 370 H ILE 48 HN ILE 48 59.751 5.412 10.614 371 HA ILE 48 HA ILE 48 60.062 6.789 8.326 372 HB ILE 48 HB ILE 48 61.379 6.718 10.847 373 1HG1 ILE 48 HG12 ILE 48 62.019 9.109 9.525 374 2HG1 ILE 48 HG11 ILE 48 60.488 8.584 8.823 375 1HG2 ILE 48 HG23 ILE 48 63.254 6.955 8.497 376 2HG2 ILE 48 HG22 ILE 48 63.589 7.737 10.041 377 3HG2 ILE 48 HG21 ILE 48 63.442 5.984 9.957 378 1HD1 ILE 48 HD13 ILE 48 60.826 8.440 11.796 379 2HD1 ILE 48 HD12 ILE 48 60.518 10.011 11.053 380 3HD1 ILE 48 HD11 ILE 48 59.361 8.695 10.848 381 H LYS 49 HN LYS 49 62.658 4.470 9.281 382 HA LYS 49 HA LYS 49 63.716 4.548 6.553 383 1HB LYS 49 HB2 LYS 49 64.775 3.999 9.078 384 2HB LYS 49 HB1 LYS 49 64.820 2.453 8.232 385 1HG LYS 49 HG2 LYS 49 65.660 4.225 6.286 386 2HG LYS 49 HG1 LYS 49 66.386 4.889 7.750 387 1HD LYS 49 HD2 LYS 49 67.793 3.116 8.010 388 2HD LYS 49 HD1 LYS 49 66.576 1.950 7.491 389 1HE LYS 49 HE2 LYS 49 67.134 2.147 5.262 390 2HE LYS 49 HE1 LYS 49 67.659 3.823 5.433 391 1HZ LYS 49 HZ3 LYS 49 69.122 1.490 6.540 392 2HZ LYS 49 HZ2 LYS 49 69.502 2.246 5.066 393 3HZ LYS 49 HZ1 LYS 49 69.644 3.103 6.526 394 H ALA 50 HN ALA 50 61.549 2.438 8.316 395 HA ALA 50 HA ALA 50 62.029 0.129 6.653 396 1HB ALA 50 HB3 ALA 50 59.608 0.876 8.322 397 2HB ALA 50 HB2 ALA 50 59.892 -0.707 7.597 398 3HB ALA 50 HB1 ALA 50 60.968 -0.110 8.861 399 H PHE 51 HN PHE 51 59.275 2.350 6.867 400 HA PHE 51 HA PHE 51 58.203 1.615 4.370 401 1HB PHE 51 HB2 PHE 51 56.568 3.136 4.819 402 2HB PHE 51 HB1 PHE 51 57.251 3.072 6.435 403 HD1 PHE 51 HD2 PHE 51 57.447 4.936 3.190 404 HD2 PHE 51 HD1 PHE 51 58.159 5.022 7.413 405 HE1 PHE 51 HE2 PHE 51 57.994 7.353 3.060 406 HE2 PHE 51 HE1 PHE 51 58.703 7.424 7.281 407 HZ PHE 51 HZ PHE 51 58.615 8.594 5.119 408 H THR 52 HN THR 52 60.239 4.404 5.326 409 HA THR 52 HA THR 52 60.316 5.607 2.775 410 HB THR 52 HB THR 52 62.508 5.480 4.863 411 HG1 THR 52 HG1 THR 52 61.604 7.766 4.984 412 1HG2 THR 52 HG21 THR 52 63.374 6.050 2.610 413 2HG2 THR 52 HG23 THR 52 62.188 7.350 2.500 414 3HG2 THR 52 HG22 THR 52 63.463 7.420 3.716 415 H GLU 53 HN GLU 53 62.306 3.006 4.101 416 HA GLU 53 HA GLU 53 64.081 2.728 1.891 417 1HB GLU 53 HB2 GLU 53 64.622 1.774 4.045 418 2HB GLU 53 HB1 GLU 53 63.184 0.760 3.970 419 1HG GLU 53 HG2 GLU 53 65.326 -0.428 3.339 420 2HG GLU 53 HG1 GLU 53 64.062 -0.492 2.111 421 H CYS 54 HN CYS 54 61.018 1.119 2.679 422 HA CYS 54 HA CYS 54 61.103 -0.636 0.374 423 1HB CYS 54 HB2 CYS 54 59.133 0.053 2.504 424 2HB CYS 54 HB1 CYS 54 58.518 -0.685 1.023 425 H CYS 55 HN CYS 55 59.995 2.568 1.016 426 HA CYS 55 HA CYS 55 58.392 2.730 -1.434 427 1HB CYS 55 HB2 CYS 55 57.427 4.131 0.120 428 2HB CYS 55 HB1 CYS 55 58.944 4.429 0.942 429 H VAL 56 HN VAL 56 61.648 3.345 -0.377 430 HA VAL 56 HA VAL 56 62.294 5.066 -2.666 431 HB VAL 56 HB VAL 56 64.116 3.604 -0.718 432 1HG1 VAL 56 HG12 VAL 56 65.181 4.163 -2.878 433 2HG1 VAL 56 HG11 VAL 56 64.687 5.844 -2.683 434 3HG1 VAL 56 HG13 VAL 56 65.849 5.132 -1.564 435 1HG2 VAL 56 HG23 VAL 56 62.416 5.717 -0.179 436 2HG2 VAL 56 HG22 VAL 56 63.884 5.340 0.723 437 3HG2 VAL 56 HG21 VAL 56 63.929 6.534 -0.575 438 H VAL 57 HN VAL 57 62.774 1.703 -1.668 439 HA VAL 57 HA VAL 57 64.192 0.942 -4.058 440 HB VAL 57 HB VAL 57 63.601 -1.370 -3.358 441 1HG1 VAL 57 HG13 VAL 57 64.827 0.647 -1.572 442 2HG1 VAL 57 HG12 VAL 57 64.382 -0.870 -0.792 443 3HG1 VAL 57 HG11 VAL 57 65.489 -0.875 -2.165 444 1HG2 VAL 57 HG22 VAL 57 61.948 0.080 -1.268 445 2HG2 VAL 57 HG21 VAL 57 61.336 -0.971 -2.543 446 3HG2 VAL 57 HG23 VAL 57 62.304 -1.646 -1.234 447 H ALA 58 HN ALA 58 60.853 0.838 -2.911 448 HA ALA 58 HA ALA 58 59.676 -0.206 -5.289 449 1HB ALA 58 HB2 ALA 58 58.542 1.783 -3.292 450 2HB ALA 58 HB1 ALA 58 57.599 0.843 -4.449 451 3HB ALA 58 HB3 ALA 58 58.445 0.029 -3.132 452 H SER 59 HN SER 59 60.876 2.862 -4.249 453 HA SER 59 HA SER 59 59.723 4.622 -6.130 454 1HB SER 59 HB2 SER 59 61.484 4.832 -4.106 455 2HB SER 59 HB1 SER 59 62.549 5.079 -5.482 456 HG SER 59 HG SER 59 60.938 6.824 -4.391 457 H GLN 60 HN GLN 60 63.018 3.312 -6.264 458 HA GLN 60 HA GLN 60 63.534 3.900 -8.979 459 1HB GLN 60 HB2 GLN 60 64.768 2.427 -6.836 460 2HB GLN 60 HB1 GLN 60 64.858 1.491 -8.328 461 1HG GLN 60 HG2 GLN 60 66.111 3.120 -9.430 462 2HG GLN 60 HG1 GLN 60 65.496 4.418 -8.402 463 1HE2 GLN 60 HE22 GLN 60 67.731 3.427 -5.647 464 2HE2 GLN 60 HE21 GLN 60 66.085 3.777 -5.866 465 H LEU 61 HN LEU 61 61.696 1.371 -7.482 466 HA LEU 61 HA LEU 61 61.722 -0.483 -9.675 467 1HB LEU 61 HB2 LEU 61 60.045 -0.031 -7.233 468 2HB LEU 61 HB1 LEU 61 59.473 -1.156 -8.455 469 HG LEU 61 HG LEU 61 62.019 -1.285 -6.873 470 1HD1 LEU 61 HD13 LEU 61 59.636 -3.121 -7.204 471 2HD1 LEU 61 HD12 LEU 61 61.103 -3.560 -6.327 472 3HD1 LEU 61 HD11 LEU 61 60.094 -2.233 -5.752 473 1HD2 LEU 61 HD21 LEU 61 61.317 -2.459 -9.511 474 2HD2 LEU 61 HD23 LEU 61 62.903 -2.072 -8.843 475 3HD2 LEU 61 HD22 LEU 61 62.075 -3.550 -8.350 476 H ARG 62 HN ARG 62 59.691 2.248 -8.725 477 HA ARG 62 HA ARG 62 58.119 1.889 -11.206 478 1HB ARG 62 HB2 ARG 62 56.587 3.587 -10.227 479 2HB ARG 62 HB1 ARG 62 56.803 2.198 -9.163 480 1HG ARG 62 HG2 ARG 62 58.453 3.423 -7.843 481 2HG ARG 62 HG1 ARG 62 58.343 4.799 -8.938 482 1HD ARG 62 HD2 ARG 62 56.974 5.238 -6.969 483 2HD ARG 62 HD1 ARG 62 55.921 5.009 -8.363 484 HE ARG 62 HE ARG 62 56.145 3.204 -6.054 485 1HH1 ARG 62 HH12 ARG 62 56.025 0.974 -7.422 486 2HH1 ARG 62 HH11 ARG 62 54.511 0.875 -8.259 487 1HH2 ARG 62 HH21 ARG 62 53.818 4.256 -7.957 488 2HH2 ARG 62 HH22 ARG 62 53.263 2.731 -8.561 489 H ALA 63 HN ALA 63 60.904 3.445 -10.331 490 HA ALA 63 HA ALA 63 60.293 5.904 -11.888 491 1HB ALA 63 HB2 ALA 63 62.413 5.122 -9.920 492 2HB ALA 63 HB1 ALA 63 62.769 6.387 -11.096 493 3HB ALA 63 HB3 ALA 63 61.422 6.579 -9.975 494 H ASN 64 HN ASN 64 62.902 3.437 -11.731 495 HA ASN 64 HA ASN 64 63.498 4.074 -14.584 496 1HB ASN 64 HB2 ASN 64 65.166 2.500 -12.603 497 2HB ASN 64 HB1 ASN 64 65.672 3.058 -14.198 498 1HD2 ASN 64 HD22 ASN 64 66.992 5.610 -11.904 499 2HD2 ASN 64 HD21 ASN 64 67.334 4.006 -12.344 500 H ILE 65 HN ILE 65 61.203 2.470 -14.059 501 HA ILE 65 HA ILE 65 61.999 0.062 -15.548 502 HB ILE 65 HB ILE 65 60.425 -0.338 -13.006 503 1HG1 ILE 65 HG12 ILE 65 63.429 -0.524 -13.390 504 2HG1 ILE 65 HG11 ILE 65 62.584 0.619 -12.346 505 1HG2 ILE 65 HG21 ILE 65 61.821 -2.047 -15.048 506 2HG2 ILE 65 HG23 ILE 65 61.611 -2.651 -13.404 507 3HG2 ILE 65 HG22 ILE 65 60.202 -2.224 -14.373 508 1HD1 ILE 65 HD11 ILE 65 61.540 -1.543 -11.286 509 2HD1 ILE 65 HD13 ILE 65 62.932 -2.347 -12.014 510 3HD1 ILE 65 HD12 ILE 65 63.176 -1.061 -10.832 511 H SER 66 HN SER 66 59.878 -1.299 -15.953 512 HA SER 66 HA SER 66 57.317 -0.075 -15.756 513 1HB SER 66 HB2 SER 66 58.667 1.516 -17.348 514 2HB SER 66 HB1 SER 66 58.399 0.250 -18.543 515 HG SER 66 HG SER 66 56.617 2.000 -17.336 516 H HIS 67 HN HIS 67 58.088 -2.658 -15.421 517 HA HIS 67 HA HIS 67 56.509 -4.042 -17.464 518 1HB HIS 67 HB2 HIS 67 59.381 -3.979 -17.649 519 2HB HIS 67 HB1 HIS 67 58.856 -5.620 -17.274 520 HD1 HIS 67 HD1 HIS 67 56.102 -5.470 -18.796 521 HD2 HIS 67 HD2 HIS 67 59.782 -4.364 -20.411 522 HE1 HIS 67 HE1 HIS 67 55.855 -5.624 -21.311 523 H LYS 68 HN LYS 68 57.095 -6.650 -16.831 524 HA LYS 68 HA LYS 68 55.696 -7.305 -14.585 525 1HB LYS 68 HB2 LYS 68 58.157 -8.588 -15.756 526 2HB LYS 68 HB1 LYS 68 57.404 -9.263 -14.310 527 1HG LYS 68 HG2 LYS 68 55.331 -8.678 -16.187 528 2HG LYS 68 HG1 LYS 68 56.589 -9.583 -17.028 529 1HD LYS 68 HD2 LYS 68 56.549 -11.281 -15.211 530 2HD LYS 68 HD1 LYS 68 55.230 -10.396 -14.442 531 1HE LYS 68 HE2 LYS 68 55.215 -11.824 -17.103 532 2HE LYS 68 HE1 LYS 68 54.161 -12.093 -15.716 533 1HZ LYS 68 HZ3 LYS 68 53.442 -9.696 -16.078 534 2HZ LYS 68 HZ2 LYS 68 54.170 -9.824 -17.608 535 3HZ LYS 68 HZ1 LYS 68 52.883 -10.849 -17.189 536 H ASP 69 HN ASP 69 59.006 -6.091 -14.597 537 HA ASP 69 HA ASP 69 59.498 -6.525 -11.801 538 1HB ASP 69 HB2 ASP 69 60.844 -5.180 -14.062 539 2HB ASP 69 HB1 ASP 69 61.111 -4.410 -12.498 540 H MET 70 HN MET 70 58.761 -3.584 -13.710 541 HA MET 70 HA MET 70 58.137 -2.025 -11.340 542 1HB MET 70 HB2 MET 70 58.874 -1.144 -13.647 543 2HB MET 70 HB1 MET 70 57.207 -1.414 -14.150 544 1HG MET 70 HG2 MET 70 57.758 0.115 -11.629 545 2HG MET 70 HG1 MET 70 57.901 0.930 -13.187 546 1HE MET 70 HE1 MET 70 56.159 0.505 -10.405 547 2HE MET 70 HE3 MET 70 55.490 2.000 -11.072 548 3HE MET 70 HE2 MET 70 54.427 0.645 -10.697 549 H GLN 71 HN GLN 71 56.010 -2.965 -14.066 550 HA GLN 71 HA GLN 71 53.545 -2.457 -12.954 551 1HB GLN 71 HB2 GLN 71 54.269 -3.673 -15.209 552 2HB GLN 71 HB1 GLN 71 53.861 -5.118 -14.284 553 1HG GLN 71 HG2 GLN 71 51.666 -3.904 -13.693 554 2HG GLN 71 HG1 GLN 71 52.076 -2.789 -14.996 555 1HE2 GLN 71 HE22 GLN 71 50.061 -5.363 -16.661 556 2HE2 GLN 71 HE21 GLN 71 49.828 -4.049 -15.614 557 H LEU 72 HN LEU 72 55.529 -5.395 -12.331 558 HA LEU 72 HA LEU 72 53.587 -6.137 -10.190 559 1HB LEU 72 HB2 LEU 72 55.155 -7.635 -12.033 560 2HB LEU 72 HB1 LEU 72 55.765 -7.988 -10.414 561 HG LEU 72 HG LEU 72 53.299 -8.280 -9.749 562 1HD1 LEU 72 HD12 LEU 72 53.105 -7.573 -12.548 563 2HD1 LEU 72 HD11 LEU 72 52.362 -9.145 -12.251 564 3HD1 LEU 72 HD13 LEU 72 51.822 -7.728 -11.349 565 1HD2 LEU 72 HD22 LEU 72 55.203 -10.049 -10.712 566 2HD2 LEU 72 HD21 LEU 72 53.672 -10.513 -9.969 567 3HD2 LEU 72 HD23 LEU 72 53.802 -10.400 -11.724 568 H GLY 73 HN GLY 73 57.083 -6.484 -10.450 569 1HA GLY 73 HA2 GLY 73 57.867 -6.445 -7.846 570 2HA GLY 73 HA1 GLY 73 58.806 -5.627 -9.095 571 H ARG 74 HN ARG 74 57.089 -3.563 -9.780 572 HA ARG 74 HA ARG 74 57.057 -1.273 -9.059 573 1HB ARG 74 HB2 ARG 74 54.969 -0.905 -7.926 574 2HB ARG 74 HB1 ARG 74 54.749 -2.299 -8.983 575 1HG ARG 74 HG2 ARG 74 53.875 -3.204 -7.063 576 2HG ARG 74 HG1 ARG 74 55.571 -3.582 -6.766 577 1HD ARG 74 HD2 ARG 74 55.835 -1.816 -5.248 578 2HD ARG 74 HD1 ARG 74 54.448 -0.934 -5.889 579 HE ARG 74 HE ARG 74 54.344 -3.134 -3.934 580 1HH1 ARG 74 HH12 ARG 74 52.235 -3.864 -5.795 581 2HH1 ARG 74 HH11 ARG 74 50.885 -2.904 -5.289 582 1HH2 ARG 74 HH21 ARG 74 52.811 -0.692 -3.441 583 2HH2 ARG 74 HH22 ARG 74 51.211 -1.108 -3.956 No H/Q in entry = 583 Start of MODEL 8 1 H MET 1 HN MET 1 55.646 -9.304 -10.622 2 HA MET 1 HA MET 1 55.958 -10.195 -7.805 3 1HB MET 1 HB2 MET 1 57.700 -8.575 -9.658 4 2HB MET 1 HB1 MET 1 58.021 -8.747 -7.934 5 1HG MET 1 HG2 MET 1 58.973 -10.750 -8.284 6 2HG MET 1 HG1 MET 1 57.476 -11.339 -9.006 7 1HE MET 1 HE2 MET 1 56.798 -11.439 -10.942 8 2HE MET 1 HE1 MET 1 57.419 -10.775 -12.452 9 3HE MET 1 HE3 MET 1 57.976 -12.355 -11.880 10 H LEU 2 HN LEU 2 53.777 -8.937 -7.506 11 HA LEU 2 HA LEU 2 53.938 -6.038 -7.485 12 1HB LEU 2 HB2 LEU 2 51.795 -7.458 -7.541 13 2HB LEU 2 HB1 LEU 2 52.069 -7.744 -5.825 14 HG LEU 2 HG LEU 2 52.230 -5.183 -5.603 15 1HD1 LEU 2 HD11 LEU 2 51.421 -5.539 -8.441 16 2HD1 LEU 2 HD13 LEU 2 50.589 -4.274 -7.540 17 3HD1 LEU 2 HD12 LEU 2 52.345 -4.238 -7.691 18 1HD2 LEU 2 HD21 LEU 2 49.659 -6.609 -6.339 19 2HD2 LEU 2 HD23 LEU 2 50.321 -6.362 -4.724 20 3HD2 LEU 2 HD22 LEU 2 49.700 -4.989 -5.641 21 H GLN 3 HN GLN 3 55.693 -8.165 -5.779 22 HA GLN 3 HA GLN 3 56.524 -6.352 -3.763 23 1HB GLN 3 HB2 GLN 3 55.444 -7.208 -1.773 24 2HB GLN 3 HB1 GLN 3 54.178 -6.803 -2.931 25 1HG GLN 3 HG2 GLN 3 55.043 -9.505 -3.396 26 2HG GLN 3 HG1 GLN 3 54.633 -9.310 -1.691 27 1HE2 GLN 3 HE22 GLN 3 51.207 -8.260 -2.527 28 2HE2 GLN 3 HE21 GLN 3 52.487 -7.716 -1.553 29 H LYS 4 HN LYS 4 58.150 -7.789 -5.233 30 HA LYS 4 HA LYS 4 58.710 -10.374 -3.915 31 1HB LYS 4 HB2 LYS 4 58.913 -9.590 -6.530 32 2HB LYS 4 HB1 LYS 4 60.582 -9.422 -5.985 33 1HG LYS 4 HG2 LYS 4 58.872 -11.901 -5.637 34 2HG LYS 4 HG1 LYS 4 60.139 -11.701 -6.846 35 1HD LYS 4 HD2 LYS 4 61.463 -12.655 -5.252 36 2HD LYS 4 HD1 LYS 4 61.506 -11.018 -4.598 37 1HE LYS 4 HE2 LYS 4 60.889 -12.920 -2.967 38 2HE LYS 4 HE1 LYS 4 59.846 -11.499 -2.974 39 1HZ LYS 4 HZ1 LYS 4 59.190 -13.668 -4.818 40 2HZ LYS 4 HZ3 LYS 4 58.891 -13.934 -3.170 41 3HZ LYS 4 HZ2 LYS 4 58.161 -12.620 -3.962 42 H LYS 5 HN LYS 5 60.496 -7.335 -4.638 43 HA LYS 5 HA LYS 5 62.580 -8.158 -2.753 44 1HB LYS 5 HB2 LYS 5 63.895 -6.732 -3.931 45 2HB LYS 5 HB1 LYS 5 62.549 -6.617 -5.058 46 1HG LYS 5 HG2 LYS 5 61.729 -4.626 -4.033 47 2HG LYS 5 HG1 LYS 5 62.796 -4.820 -2.649 48 1HD LYS 5 HD2 LYS 5 64.218 -4.769 -5.218 49 2HD LYS 5 HD1 LYS 5 63.358 -3.271 -4.858 50 1HE LYS 5 HE2 LYS 5 65.646 -3.198 -3.946 51 2HE LYS 5 HE1 LYS 5 64.457 -3.174 -2.644 52 1HZ LYS 5 HZ3 LYS 5 64.752 -5.691 -2.638 53 2HZ LYS 5 HZ2 LYS 5 66.164 -5.413 -3.540 54 3HZ LYS 5 HZ1 LYS 5 66.004 -4.756 -1.981 55 H ILE 6 HN ILE 6 59.656 -6.437 -2.710 56 HA ILE 6 HA ILE 6 60.412 -4.872 -0.311 57 HB ILE 6 HB ILE 6 57.726 -4.900 -1.681 58 1HG1 ILE 6 HG12 ILE 6 59.765 -4.564 -3.249 59 2HG1 ILE 6 HG11 ILE 6 58.500 -3.326 -3.278 60 1HG2 ILE 6 HG23 ILE 6 59.041 -3.382 0.434 61 2HG2 ILE 6 HG22 ILE 6 58.450 -2.330 -0.851 62 3HG2 ILE 6 HG21 ILE 6 57.338 -3.418 -0.019 63 1HD1 ILE 6 HD13 ILE 6 60.579 -2.862 -1.246 64 2HD1 ILE 6 HD12 ILE 6 61.177 -2.824 -2.904 65 3HD1 ILE 6 HD11 ILE 6 59.875 -1.741 -2.411 66 H GLU 7 HN GLU 7 58.548 -7.669 -1.282 67 HA GLU 7 HA GLU 7 57.148 -7.870 1.287 68 1HB GLU 7 HB2 GLU 7 56.196 -8.831 -0.813 69 2HB GLU 7 HB1 GLU 7 57.549 -9.960 -0.881 70 1HG GLU 7 HG2 GLU 7 56.111 -11.311 0.272 71 2HG GLU 7 HG1 GLU 7 56.715 -10.398 1.657 72 H GLU 8 HN GLU 8 60.115 -8.888 -0.182 73 HA GLU 8 HA GLU 8 60.800 -10.923 1.771 74 1HB GLU 8 HB2 GLU 8 62.963 -10.929 0.698 75 2HB GLU 8 HB1 GLU 8 61.755 -10.735 -0.572 76 1HG GLU 8 HG2 GLU 8 62.123 -8.281 -0.556 77 2HG GLU 8 HG1 GLU 8 63.337 -8.491 0.718 78 H ILE 9 HN ILE 9 61.712 -7.501 1.273 79 HA ILE 9 HA ILE 9 63.372 -7.403 3.628 80 HB ILE 9 HB ILE 9 63.355 -5.812 1.569 81 1HG1 ILE 9 HG12 ILE 9 64.878 -5.430 3.385 82 2HG1 ILE 9 HG11 ILE 9 64.086 -3.888 3.060 83 1HG2 ILE 9 HG22 ILE 9 60.938 -5.240 1.784 84 2HG2 ILE 9 HG21 ILE 9 61.291 -4.444 3.318 85 3HG2 ILE 9 HG23 ILE 9 61.979 -3.817 1.819 86 1HD1 ILE 9 HD11 ILE 9 62.377 -4.631 4.866 87 2HD1 ILE 9 HD13 ILE 9 63.606 -5.805 5.335 88 3HD1 ILE 9 HD12 ILE 9 63.962 -4.080 5.406 89 H ALA 10 HN ALA 10 60.036 -6.449 2.917 90 HA ALA 10 HA ALA 10 59.372 -5.388 5.462 91 1HB ALA 10 HB1 ALA 10 57.988 -5.536 3.231 92 2HB ALA 10 HB3 ALA 10 57.422 -7.063 3.907 93 3HB ALA 10 HB2 ALA 10 57.141 -5.554 4.779 94 H ALA 11 HN ALA 11 59.245 -8.702 4.193 95 HA ALA 11 HA ALA 11 58.246 -9.862 6.637 96 1HB ALA 11 HB1 ALA 11 58.381 -10.811 4.160 97 2HB ALA 11 HB3 ALA 11 59.923 -11.447 4.732 98 3HB ALA 11 HB2 ALA 11 58.427 -11.898 5.548 99 H LYS 12 HN LYS 12 61.445 -8.980 5.460 100 HA LYS 12 HA LYS 12 62.713 -10.562 7.607 101 1HB LYS 12 HB2 LYS 12 64.765 -10.118 6.605 102 2HB LYS 12 HB1 LYS 12 63.687 -10.048 5.215 103 1HG LYS 12 HG2 LYS 12 64.549 -8.001 4.827 104 2HG LYS 12 HG1 LYS 12 63.620 -7.452 6.222 105 1HD LYS 12 HD2 LYS 12 65.719 -6.803 6.915 106 2HD LYS 12 HD1 LYS 12 65.742 -8.461 7.516 107 1HE LYS 12 HE2 LYS 12 67.789 -8.150 6.304 108 2HE LYS 12 HE1 LYS 12 66.745 -9.137 5.282 109 1HZ LYS 12 HZ3 LYS 12 66.605 -6.227 4.996 110 2HZ LYS 12 HZ2 LYS 12 67.959 -7.025 4.350 111 3HZ LYS 12 HZ1 LYS 12 66.395 -7.441 3.830 112 H TYR 13 HN TYR 13 60.896 -8.685 8.589 113 HA TYR 13 HA TYR 13 62.709 -6.660 9.830 114 1HB TYR 13 HB2 TYR 13 59.788 -6.635 9.144 115 2HB TYR 13 HB1 TYR 13 60.379 -5.639 10.469 116 HD1 TYR 13 HD1 TYR 13 63.029 -4.808 9.593 117 HD2 TYR 13 HD2 TYR 13 59.405 -5.195 7.324 118 HE1 TYR 13 HE1 TYR 13 63.870 -3.136 7.966 119 HE2 TYR 13 HE2 TYR 13 60.246 -3.525 5.697 120 HH TYR 13 HH TYR 13 63.058 -1.617 6.307 121 H LYS 14 HN LYS 14 63.023 -6.821 12.013 122 HA LYS 14 HA LYS 14 61.766 -9.079 13.419 123 1HB LYS 14 HB2 LYS 14 64.097 -7.305 13.843 124 2HB LYS 14 HB1 LYS 14 63.263 -7.805 15.314 125 1HG LYS 14 HG2 LYS 14 63.897 -9.982 15.088 126 2HG LYS 14 HG1 LYS 14 63.698 -9.959 13.336 127 1HD LYS 14 HD2 LYS 14 65.881 -8.228 14.167 128 2HD LYS 14 HD1 LYS 14 66.124 -9.882 14.730 129 1HE LYS 14 HE2 LYS 14 66.397 -10.698 12.621 130 2HE LYS 14 HE1 LYS 14 65.148 -9.650 11.950 131 1HZ LYS 14 HZ1 LYS 14 67.466 -8.224 12.868 132 2HZ LYS 14 HZ3 LYS 14 67.816 -9.322 11.624 133 3HZ LYS 14 HZ2 LYS 14 66.642 -8.117 11.386 134 H HIS 15 HN HIS 15 59.852 -7.199 12.724 135 HA HIS 15 HA HIS 15 58.777 -6.500 15.335 136 1HB HIS 15 HB2 HIS 15 60.351 -4.554 13.979 137 2HB HIS 15 HB1 HIS 15 58.668 -4.046 13.850 138 HD1 HIS 15 HD1 HIS 15 61.431 -3.705 16.055 139 HD2 HIS 15 HD2 HIS 15 57.361 -4.399 16.637 140 HE1 HIS 15 HE1 HIS 15 60.931 -3.072 18.457 141 H SER 16 HN SER 16 56.844 -7.499 14.870 142 HA SER 16 HA SER 16 55.530 -7.849 12.483 143 1HB SER 16 HB2 SER 16 54.813 -7.979 15.204 144 2HB SER 16 HB1 SER 16 53.560 -7.021 14.419 145 HG SER 16 HG SER 16 53.072 -8.688 13.133 146 H VAL 17 HN VAL 17 55.793 -4.706 14.120 147 HA VAL 17 HA VAL 17 53.658 -3.520 12.527 148 HB VAL 17 HB VAL 17 55.763 -2.319 14.342 149 1HG1 VAL 17 HG12 VAL 17 53.457 -1.038 12.850 150 2HG1 VAL 17 HG11 VAL 17 54.310 -0.264 14.186 151 3HG1 VAL 17 HG13 VAL 17 55.170 -0.649 12.694 152 1HG2 VAL 17 HG21 VAL 17 53.931 -3.746 15.345 153 2HG2 VAL 17 HG23 VAL 17 53.932 -2.073 15.903 154 3HG2 VAL 17 HG22 VAL 17 52.763 -2.598 14.690 155 H VAL 18 HN VAL 18 57.207 -3.616 12.353 156 HA VAL 18 HA VAL 18 57.609 -1.594 10.416 157 HB VAL 18 HB VAL 18 59.083 -4.234 10.485 158 1HG1 VAL 18 HG11 VAL 18 59.538 -2.579 8.630 159 2HG1 VAL 18 HG13 VAL 18 60.060 -1.441 9.872 160 3HG1 VAL 18 HG12 VAL 18 60.938 -2.951 9.637 161 1HG2 VAL 18 HG22 VAL 18 58.708 -2.627 12.679 162 2HG2 VAL 18 HG21 VAL 18 60.106 -3.669 12.426 163 3HG2 VAL 18 HG23 VAL 18 60.189 -1.965 11.994 164 H LYS 19 HN LYS 19 56.011 -4.640 10.116 165 HA LYS 19 HA LYS 19 56.469 -5.058 7.309 166 1HB LYS 19 HB2 LYS 19 54.534 -6.566 7.407 167 2HB LYS 19 HB1 LYS 19 55.576 -6.828 8.805 168 1HG LYS 19 HG2 LYS 19 53.545 -6.685 9.884 169 2HG LYS 19 HG1 LYS 19 53.979 -4.978 9.875 170 1HD LYS 19 HD2 LYS 19 51.869 -4.806 8.964 171 2HD LYS 19 HD1 LYS 19 52.776 -5.093 7.480 172 1HE LYS 19 HE2 LYS 19 50.995 -6.651 7.386 173 2HE LYS 19 HE1 LYS 19 52.382 -7.597 7.929 174 1HZ LYS 19 HZ2 LYS 19 51.334 -6.616 10.232 175 2HZ LYS 19 HZ1 LYS 19 49.951 -6.966 9.310 176 3HZ LYS 19 HZ3 LYS 19 51.090 -8.183 9.625 177 H LYS 20 HN LYS 20 53.950 -3.317 9.131 178 HA LYS 20 HA LYS 20 52.407 -2.574 6.816 179 1HB LYS 20 HB2 LYS 20 51.256 -2.365 8.864 180 2HB LYS 20 HB1 LYS 20 52.604 -1.536 9.637 181 1HG LYS 20 HG2 LYS 20 51.835 0.481 8.979 182 2HG LYS 20 HG1 LYS 20 51.685 -0.057 7.304 183 1HD LYS 20 HD2 LYS 20 49.473 0.523 8.027 184 2HD LYS 20 HD1 LYS 20 49.539 -1.240 8.008 185 1HE LYS 20 HE2 LYS 20 48.481 -0.338 10.083 186 2HE LYS 20 HE1 LYS 20 49.925 -1.294 10.415 187 1HZ LYS 20 HZ1 LYS 20 50.518 1.466 9.953 188 2HZ LYS 20 HZ3 LYS 20 49.460 1.253 11.261 189 3HZ LYS 20 HZ2 LYS 20 50.965 0.465 11.251 190 H CYS 21 HN CYS 21 54.906 -0.935 8.730 191 HA CYS 21 HA CYS 21 55.034 1.522 7.396 192 1HB CYS 21 HB2 CYS 21 57.226 -0.185 8.600 193 2HB CYS 21 HB1 CYS 21 57.483 1.472 8.059 194 H CYS 22 HN CYS 22 56.847 -1.459 6.586 195 HA CYS 22 HA CYS 22 57.946 -0.334 4.154 196 1HB CYS 22 HB2 CYS 22 59.148 -2.169 5.087 197 2HB CYS 22 HB1 CYS 22 57.695 -3.156 5.222 198 H TYR 23 HN TYR 23 54.966 -1.898 5.055 199 HA TYR 23 HA TYR 23 54.112 -2.829 2.520 200 1HB TYR 23 HB2 TYR 23 52.942 -2.364 5.080 201 2HB TYR 23 HB1 TYR 23 51.866 -1.724 3.850 202 HD1 TYR 23 HD2 TYR 23 51.698 -3.268 1.660 203 HD2 TYR 23 HD1 TYR 23 52.726 -4.570 5.612 204 HE1 TYR 23 HE2 TYR 23 51.009 -5.578 1.070 205 HE2 TYR 23 HE1 TYR 23 52.050 -6.847 5.024 206 HH TYR 23 HH TYR 23 51.334 -7.822 1.777 207 H ASP 24 HN ASP 24 53.431 0.305 4.106 208 HA ASP 24 HA ASP 24 52.278 1.502 1.765 209 1HB ASP 24 HB2 ASP 24 53.699 3.110 3.870 210 2HB ASP 24 HB1 ASP 24 52.217 3.492 3.001 211 H GLY 25 HN GLY 25 55.548 1.605 3.190 212 1HA GLY 25 HA2 GLY 25 56.867 3.365 1.543 213 2HA GLY 25 HA1 GLY 25 57.606 1.839 2.040 214 H ALA 26 HN ALA 26 56.382 -0.092 0.704 215 HA ALA 26 HA ALA 26 57.216 0.203 -2.021 216 1HB ALA 26 HB1 ALA 26 56.295 -1.900 -0.348 217 2HB ALA 26 HB3 ALA 26 55.238 -1.871 -1.760 218 3HB ALA 26 HB2 ALA 26 56.982 -2.037 -1.967 219 H CYS 27 HN CYS 27 54.049 0.464 -0.426 220 HA CYS 27 HA CYS 27 52.672 0.899 -2.984 221 1HB CYS 27 HB2 CYS 27 51.716 1.190 -0.121 222 2HB CYS 27 HB1 CYS 27 50.685 1.296 -1.549 223 HG CYS 27 HG CYS 27 51.941 -1.301 -0.430 224 H VAL 28 HN VAL 28 54.792 2.769 -1.534 225 HA VAL 28 HA VAL 28 53.969 5.229 -0.772 226 HB VAL 28 HB VAL 28 56.293 4.946 -1.207 227 1HG1 VAL 28 HG11 VAL 28 55.424 3.501 -3.428 228 2HG1 VAL 28 HG13 VAL 28 56.262 4.887 -4.125 229 3HG1 VAL 28 HG12 VAL 28 57.102 3.826 -2.994 230 1HG2 VAL 28 HG23 VAL 28 55.021 7.193 -2.013 231 2HG2 VAL 28 HG22 VAL 28 56.771 7.002 -2.119 232 3HG2 VAL 28 HG21 VAL 28 55.765 6.718 -3.540 233 H ASN 29 HN ASN 29 53.149 7.151 -1.789 234 HA ASN 29 HA ASN 29 51.121 6.775 -3.756 235 1HB ASN 29 HB2 ASN 29 51.340 9.347 -3.971 236 2HB ASN 29 HB1 ASN 29 50.910 8.700 -2.385 237 1HD2 ASN 29 HD22 ASN 29 54.536 10.503 -2.915 238 2HD2 ASN 29 HD21 ASN 29 53.530 10.196 -4.247 239 H ASN 30 HN ASN 30 51.449 8.675 -5.722 240 HA ASN 30 HA ASN 30 53.512 7.396 -7.404 241 1HB ASN 30 HB2 ASN 30 52.492 8.904 -9.189 242 2HB ASN 30 HB1 ASN 30 51.392 7.717 -8.487 243 1HD2 ASN 30 HD22 ASN 30 50.824 11.700 -7.711 244 2HD2 ASN 30 HD21 ASN 30 52.280 11.175 -8.404 245 H ASP 31 HN ASP 31 54.575 8.928 -5.276 246 HA ASP 31 HA ASP 31 56.221 10.807 -6.797 247 1HB ASP 31 HB2 ASP 31 54.113 12.094 -6.139 248 2HB ASP 31 HB1 ASP 31 54.643 11.917 -4.467 249 H GLU 32 HN GLU 32 58.181 11.213 -5.739 250 HA GLU 32 HA GLU 32 59.364 9.411 -4.073 251 1HB GLU 32 HB2 GLU 32 59.735 12.418 -3.982 252 2HB GLU 32 HB1 GLU 32 60.838 11.260 -3.236 253 1HG GLU 32 HG2 GLU 32 60.112 10.884 -6.117 254 2HG GLU 32 HG1 GLU 32 61.275 12.143 -5.700 255 H THR 33 HN THR 33 58.268 12.471 -2.551 256 HA THR 33 HA THR 33 58.321 11.704 0.100 257 HB THR 33 HB THR 33 56.128 13.194 0.238 258 HG1 THR 33 HG1 THR 33 56.072 14.527 -1.656 259 1HG2 THR 33 HG21 THR 33 58.951 13.708 -0.001 260 2HG2 THR 33 HG23 THR 33 58.047 15.027 -0.744 261 3HG2 THR 33 HG22 THR 33 57.746 14.589 0.937 262 H CYS 34 HN CYS 34 57.787 9.483 0.301 263 HA CYS 34 HA CYS 34 55.146 8.497 -0.443 264 1HB CYS 34 HB2 CYS 34 56.166 6.758 1.538 265 2HB CYS 34 HB1 CYS 34 56.159 6.501 -0.192 266 H GLU 35 HN GLU 35 56.293 7.957 2.852 267 HA GLU 35 HA GLU 35 53.736 8.534 3.975 268 1HB GLU 35 HB2 GLU 35 56.139 7.564 4.974 269 2HB GLU 35 HB1 GLU 35 55.955 9.111 5.801 270 1HG GLU 35 HG2 GLU 35 53.823 6.970 5.632 271 2HG GLU 35 HG1 GLU 35 54.860 7.232 7.028 272 H GLN 36 HN GLN 36 56.497 10.474 3.142 273 HA GLN 36 HA GLN 36 55.898 12.884 4.503 274 1HB GLN 36 HB2 GLN 36 57.009 12.448 1.708 275 2HB GLN 36 HB1 GLN 36 56.992 14.007 2.533 276 1HG GLN 36 HG2 GLN 36 58.951 13.442 3.482 277 2HG GLN 36 HG1 GLN 36 58.087 12.200 4.388 278 1HE2 GLN 36 HE22 GLN 36 60.716 11.054 1.604 279 2HE2 GLN 36 HE21 GLN 36 60.631 12.631 2.224 280 H ARG 37 HN ARG 37 54.766 11.612 1.358 281 HA ARG 37 HA ARG 37 52.907 13.725 0.817 282 1HB ARG 37 HB2 ARG 37 53.261 10.899 -0.066 283 2HB ARG 37 HB1 ARG 37 51.654 11.594 -0.279 284 1HG ARG 37 HG2 ARG 37 54.208 12.915 -1.235 285 2HG ARG 37 HG1 ARG 37 53.161 11.935 -2.260 286 1HD ARG 37 HD2 ARG 37 51.581 13.878 -0.828 287 2HD ARG 37 HD1 ARG 37 52.891 14.687 -1.688 288 HE ARG 37 HE ARG 37 52.055 13.485 -3.757 289 1HH1 ARG 37 HH12 ARG 37 50.102 15.083 -1.567 290 2HH1 ARG 37 HH11 ARG 37 48.601 14.474 -2.180 291 1HH2 ARG 37 HH21 ARG 37 50.094 12.186 -4.314 292 2HH2 ARG 37 HH22 ARG 37 48.596 12.833 -3.735 293 H ALA 38 HN ALA 38 52.765 10.772 2.759 294 HA ALA 38 HA ALA 38 50.064 10.601 3.425 295 1HB ALA 38 HB2 ALA 38 52.124 9.267 4.368 296 2HB ALA 38 HB1 ALA 38 52.130 10.505 5.620 297 3HB ALA 38 HB3 ALA 38 50.714 9.482 5.399 298 H ALA 39 HN ALA 39 52.372 12.345 5.483 299 HA ALA 39 HA ALA 39 51.090 14.872 5.427 300 1HB ALA 39 HB3 ALA 39 50.118 13.043 7.647 301 2HB ALA 39 HB2 ALA 39 49.885 14.791 7.630 302 3HB ALA 39 HB1 ALA 39 49.130 13.787 6.391 303 H ARG 40 HN ARG 40 52.600 12.455 7.468 304 HA ARG 40 HA ARG 40 55.009 13.897 7.903 305 1HB ARG 40 HB2 ARG 40 52.793 14.608 9.684 306 2HB ARG 40 HB1 ARG 40 54.205 14.008 10.555 307 1HG ARG 40 HG2 ARG 40 55.610 15.617 9.192 308 2HG ARG 40 HG1 ARG 40 54.106 16.318 8.600 309 1HD ARG 40 HD2 ARG 40 54.955 17.582 10.537 310 2HD ARG 40 HD1 ARG 40 53.417 16.809 10.917 311 HE ARG 40 HE ARG 40 54.568 15.320 12.391 312 1HH1 ARG 40 HH21 ARG 40 56.939 14.642 10.774 313 2HH1 ARG 40 HH22 ARG 40 58.223 15.452 11.608 314 1HH2 ARG 40 HH12 ARG 40 56.104 17.543 13.384 315 2HH2 ARG 40 HH11 ARG 40 57.750 17.095 13.086 316 H ILE 41 HN ILE 41 56.203 12.026 7.939 317 HA ILE 41 HA ILE 41 55.325 9.497 8.689 318 HB ILE 41 HB ILE 41 57.570 9.934 7.668 319 1HG1 ILE 41 HG12 ILE 41 58.678 8.119 8.925 320 2HG1 ILE 41 HG11 ILE 41 57.524 8.333 10.240 321 1HG2 ILE 41 HG21 ILE 41 58.019 11.783 9.465 322 2HG2 ILE 41 HG23 ILE 41 58.565 10.436 10.461 323 3HG2 ILE 41 HG22 ILE 41 59.359 10.773 8.925 324 1HD1 ILE 41 HD12 ILE 41 56.573 7.837 7.424 325 2HD1 ILE 41 HD11 ILE 41 56.997 6.496 8.487 326 3HD1 ILE 41 HD13 ILE 41 55.699 7.602 8.936 327 H SER 42 HN SER 42 54.044 9.361 10.433 328 HA SER 42 HA SER 42 55.455 9.731 12.980 329 1HB SER 42 HB2 SER 42 53.824 11.046 13.957 330 2HB SER 42 HB1 SER 42 53.756 11.638 12.294 331 HG SER 42 HG SER 42 51.989 10.341 11.933 332 H LEU 43 HN LEU 43 55.362 7.352 11.917 333 HA LEU 43 HA LEU 43 53.139 6.050 13.369 334 1HB LEU 43 HB2 LEU 43 54.544 5.350 10.821 335 2HB LEU 43 HB1 LEU 43 53.959 4.028 11.831 336 HG LEU 43 HG LEU 43 51.880 5.953 11.735 337 1HD1 LEU 43 HD12 LEU 43 53.109 5.339 9.032 338 2HD1 LEU 43 HD11 LEU 43 51.479 5.976 9.250 339 3HD1 LEU 43 HD13 LEU 43 52.875 6.932 9.750 340 1HD2 LEU 43 HD23 LEU 43 51.844 3.394 11.882 341 2HD2 LEU 43 HD22 LEU 43 50.623 4.127 10.841 342 3HD2 LEU 43 HD21 LEU 43 52.062 3.393 10.131 343 H GLY 44 HN GLY 44 56.421 6.712 13.360 344 1HA GLY 44 HA2 GLY 44 57.314 5.804 15.674 345 2HA GLY 44 HA1 GLY 44 57.124 4.243 14.874 346 HA PRO 45 HA PRO 45 61.356 6.022 13.770 347 1HB PRO 45 HB2 PRO 45 62.816 4.197 15.149 348 2HB PRO 45 HB1 PRO 45 62.223 5.695 15.875 349 1HG PRO 45 HG2 PRO 45 61.271 2.922 16.263 350 2HG PRO 45 HG1 PRO 45 61.250 4.292 17.382 351 1HD PRO 45 HD2 PRO 45 59.072 3.334 15.925 352 2HD PRO 45 HD1 PRO 45 59.155 4.889 16.753 353 H ARG 46 HN ARG 46 60.671 2.544 14.333 354 HA ARG 46 HA ARG 46 62.254 1.528 12.234 355 1HB ARG 46 HB2 ARG 46 61.179 -0.504 12.596 356 2HB ARG 46 HB1 ARG 46 60.832 0.322 14.110 357 1HG ARG 46 HG2 ARG 46 58.949 0.350 11.732 358 2HG ARG 46 HG1 ARG 46 58.836 -0.811 13.050 359 1HD ARG 46 HD2 ARG 46 58.962 2.096 13.742 360 2HD ARG 46 HD1 ARG 46 57.449 1.450 13.112 361 HE ARG 46 HE ARG 46 58.157 -0.348 15.094 362 1HH1 ARG 46 HH21 ARG 46 56.272 2.314 14.844 363 2HH1 ARG 46 HH22 ARG 46 56.416 2.839 16.488 364 1HH2 ARG 46 HH12 ARG 46 58.993 0.645 17.241 365 2HH2 ARG 46 HH11 ARG 46 57.957 1.894 17.846 366 H CYS 47 HN CYS 47 59.177 3.144 12.159 367 HA CYS 47 HA CYS 47 58.328 2.352 9.508 368 1HB CYS 47 HB2 CYS 47 57.325 3.930 11.600 369 2HB CYS 47 HB1 CYS 47 57.575 5.063 10.266 370 H ILE 48 HN ILE 48 59.685 5.441 10.639 371 HA ILE 48 HA ILE 48 60.051 6.806 8.348 372 HB ILE 48 HB ILE 48 61.296 6.759 10.902 373 1HG1 ILE 48 HG12 ILE 48 61.998 9.133 9.590 374 2HG1 ILE 48 HG11 ILE 48 60.498 8.611 8.820 375 1HG2 ILE 48 HG22 ILE 48 63.242 6.974 8.607 376 2HG2 ILE 48 HG21 ILE 48 63.543 7.731 10.171 377 3HG2 ILE 48 HG23 ILE 48 63.370 5.981 10.058 378 1HD1 ILE 48 HD11 ILE 48 60.765 8.578 11.820 379 2HD1 ILE 48 HD13 ILE 48 60.334 10.065 10.975 380 3HD1 ILE 48 HD12 ILE 48 59.299 8.643 10.843 381 H LYS 49 HN LYS 49 62.586 4.452 9.380 382 HA LYS 49 HA LYS 49 63.728 4.529 6.684 383 1HB LYS 49 HB2 LYS 49 64.529 3.547 9.330 384 2HB LYS 49 HB1 LYS 49 65.027 2.495 8.002 385 1HG LYS 49 HG2 LYS 49 66.011 4.459 6.842 386 2HG LYS 49 HG1 LYS 49 65.570 5.471 8.218 387 1HD LYS 49 HD2 LYS 49 66.913 3.856 9.668 388 2HD LYS 49 HD1 LYS 49 67.538 3.176 8.164 389 1HE LYS 49 HE2 LYS 49 67.874 5.877 7.752 390 2HE LYS 49 HE1 LYS 49 68.191 5.725 9.481 391 1HZ LYS 49 HZ2 LYS 49 69.433 3.976 7.433 392 2HZ LYS 49 HZ1 LYS 49 70.164 5.394 8.018 393 3HZ LYS 49 HZ3 LYS 49 69.851 4.105 9.074 394 H ALA 50 HN ALA 50 61.486 2.434 8.377 395 HA ALA 50 HA ALA 50 62.001 0.125 6.714 396 1HB ALA 50 HB3 ALA 50 59.555 0.879 8.344 397 2HB ALA 50 HB2 ALA 50 59.818 -0.694 7.589 398 3HB ALA 50 HB1 ALA 50 60.887 -0.144 8.880 399 H PHE 51 HN PHE 51 59.292 2.414 6.849 400 HA PHE 51 HA PHE 51 58.268 1.667 4.325 401 1HB PHE 51 HB2 PHE 51 56.631 3.194 4.731 402 2HB PHE 51 HB1 PHE 51 57.264 3.119 6.364 403 HD1 PHE 51 HD2 PHE 51 57.550 5.014 3.139 404 HD2 PHE 51 HD1 PHE 51 58.164 5.039 7.376 405 HE1 PHE 51 HE2 PHE 51 58.104 7.434 3.053 406 HE2 PHE 51 HE1 PHE 51 58.712 7.444 7.287 407 HZ PHE 51 HZ PHE 51 58.680 8.647 5.143 408 H THR 52 HN THR 52 60.311 4.423 5.352 409 HA THR 52 HA THR 52 60.455 5.626 2.794 410 HB THR 52 HB THR 52 62.583 5.533 4.951 411 HG1 THR 52 HG1 THR 52 61.032 7.767 4.375 412 1HG2 THR 52 HG23 THR 52 63.406 6.133 2.645 413 2HG2 THR 52 HG22 THR 52 62.284 7.494 2.666 414 3HG2 THR 52 HG21 THR 52 63.597 7.416 3.841 415 H GLU 53 HN GLU 53 62.401 3.052 4.217 416 HA GLU 53 HA GLU 53 64.274 2.756 2.092 417 1HB GLU 53 HB2 GLU 53 64.780 1.816 4.235 418 2HB GLU 53 HB1 GLU 53 63.289 0.880 4.212 419 1HG GLU 53 HG2 GLU 53 65.077 -0.630 3.658 420 2HG GLU 53 HG1 GLU 53 64.166 -0.327 2.180 421 H CYS 54 HN CYS 54 61.191 1.130 2.765 422 HA CYS 54 HA CYS 54 61.385 -0.649 0.482 423 1HB CYS 54 HB2 CYS 54 59.293 0.072 2.496 424 2HB CYS 54 HB1 CYS 54 58.783 -0.729 1.010 425 H CYS 55 HN CYS 55 60.191 2.542 1.069 426 HA CYS 55 HA CYS 55 58.695 2.687 -1.440 427 1HB CYS 55 HB2 CYS 55 57.655 4.085 0.055 428 2HB CYS 55 HB1 CYS 55 59.126 4.368 0.963 429 H VAL 56 HN VAL 56 61.907 3.367 -0.289 430 HA VAL 56 HA VAL 56 62.576 5.069 -2.589 431 HB VAL 56 HB VAL 56 64.374 3.706 -0.545 432 1HG1 VAL 56 HG13 VAL 56 64.849 5.508 -2.871 433 2HG1 VAL 56 HG12 VAL 56 65.816 5.782 -1.422 434 3HG1 VAL 56 HG11 VAL 56 65.857 4.213 -2.225 435 1HG2 VAL 56 HG21 VAL 56 62.580 5.802 -0.147 436 2HG2 VAL 56 HG23 VAL 56 63.963 5.416 0.876 437 3HG2 VAL 56 HG22 VAL 56 64.122 6.614 -0.408 438 H VAL 57 HN VAL 57 63.254 1.771 -1.474 439 HA VAL 57 HA VAL 57 64.722 1.005 -3.817 440 HB VAL 57 HB VAL 57 64.194 -1.302 -3.084 441 1HG1 VAL 57 HG13 VAL 57 65.288 0.792 -1.316 442 2HG1 VAL 57 HG12 VAL 57 64.819 -0.688 -0.481 443 3HG1 VAL 57 HG11 VAL 57 65.995 -0.751 -1.795 444 1HG2 VAL 57 HG23 VAL 57 62.348 0.154 -1.177 445 2HG2 VAL 57 HG22 VAL 57 61.904 -1.050 -2.384 446 3HG2 VAL 57 HG21 VAL 57 62.826 -1.530 -0.960 447 H ALA 58 HN ALA 58 61.370 0.892 -2.751 448 HA ALA 58 HA ALA 58 60.269 -0.264 -5.124 449 1HB ALA 58 HB2 ALA 58 59.141 1.607 -3.022 450 2HB ALA 58 HB1 ALA 58 58.166 0.955 -4.339 451 3HB ALA 58 HB3 ALA 58 58.879 -0.133 -3.148 452 H SER 59 HN SER 59 61.367 2.866 -4.154 453 HA SER 59 HA SER 59 60.132 4.501 -6.117 454 1HB SER 59 HB2 SER 59 61.571 5.107 -4.050 455 2HB SER 59 HB1 SER 59 62.922 5.009 -5.173 456 HG SER 59 HG SER 59 60.674 6.718 -5.201 457 H GLN 60 HN GLN 60 63.301 2.909 -6.104 458 HA GLN 60 HA GLN 60 63.989 3.679 -8.799 459 1HB GLN 60 HB2 GLN 60 65.182 2.270 -6.600 460 2HB GLN 60 HB1 GLN 60 65.356 1.312 -8.072 461 1HG GLN 60 HG2 GLN 60 66.595 2.964 -9.156 462 2HG GLN 60 HG1 GLN 60 65.901 4.257 -8.171 463 1HE2 GLN 60 HE22 GLN 60 68.045 3.232 -5.305 464 2HE2 GLN 60 HE21 GLN 60 66.378 3.409 -5.575 465 H LEU 61 HN LEU 61 62.274 1.012 -7.356 466 HA LEU 61 HA LEU 61 62.424 -0.759 -9.619 467 1HB LEU 61 HB2 LEU 61 60.600 -0.533 -7.227 468 2HB LEU 61 HB1 LEU 61 60.386 -1.789 -8.437 469 HG LEU 61 HG LEU 61 62.699 -1.353 -6.586 470 1HD1 LEU 61 HD12 LEU 61 60.772 -3.599 -7.176 471 2HD1 LEU 61 HD11 LEU 61 62.269 -3.871 -6.283 472 3HD1 LEU 61 HD13 LEU 61 61.046 -2.773 -5.642 473 1HD2 LEU 61 HD21 LEU 61 62.659 -2.586 -9.288 474 2HD2 LEU 61 HD23 LEU 61 64.004 -1.864 -8.405 475 3HD2 LEU 61 HD22 LEU 61 63.482 -3.507 -8.029 476 H ARG 62 HN ARG 62 60.287 1.846 -8.597 477 HA ARG 62 HA ARG 62 58.629 1.374 -10.999 478 1HB ARG 62 HB2 ARG 62 56.997 2.874 -10.010 479 2HB ARG 62 HB1 ARG 62 57.489 1.695 -8.792 480 1HG ARG 62 HG2 ARG 62 58.962 3.277 -7.747 481 2HG ARG 62 HG1 ARG 62 58.757 4.430 -9.062 482 1HD ARG 62 HD2 ARG 62 57.403 4.954 -6.992 483 2HD ARG 62 HD1 ARG 62 56.450 4.804 -8.467 484 HE ARG 62 HE ARG 62 56.531 2.808 -6.260 485 1HH1 ARG 62 HH12 ARG 62 55.839 0.850 -7.827 486 2HH1 ARG 62 HH11 ARG 62 54.266 1.138 -8.494 487 1HH2 ARG 62 HH21 ARG 62 54.279 4.524 -7.748 488 2HH2 ARG 62 HH22 ARG 62 53.385 3.218 -8.450 489 H ALA 63 HN ALA 63 61.307 3.236 -10.107 490 HA ALA 63 HA ALA 63 60.521 5.485 -11.888 491 1HB ALA 63 HB1 ALA 63 62.741 5.091 -9.881 492 2HB ALA 63 HB3 ALA 63 62.780 6.410 -11.049 493 3HB ALA 63 HB2 ALA 63 61.465 6.310 -9.878 494 H ASN 64 HN ASN 64 60.826 3.237 -13.362 495 HA ASN 64 HA ASN 64 62.879 3.902 -15.217 496 1HB ASN 64 HB2 ASN 64 63.814 2.410 -12.967 497 2HB ASN 64 HB1 ASN 64 63.842 1.344 -14.372 498 1HD2 ASN 64 HD22 ASN 64 67.054 3.230 -14.386 499 2HD2 ASN 64 HD21 ASN 64 66.313 2.102 -13.355 500 H ILE 65 HN ILE 65 60.768 1.429 -13.852 501 HA ILE 65 HA ILE 65 60.469 0.267 -16.589 502 HB ILE 65 HB ILE 65 59.180 -1.517 -15.015 503 1HG1 ILE 65 HG12 ILE 65 59.848 -0.048 -13.010 504 2HG1 ILE 65 HG11 ILE 65 60.214 -1.769 -12.890 505 1HG2 ILE 65 HG21 ILE 65 62.174 -1.375 -15.472 506 2HG2 ILE 65 HG23 ILE 65 61.272 -2.837 -15.069 507 3HG2 ILE 65 HG22 ILE 65 60.984 -2.018 -16.606 508 1HD1 ILE 65 HD11 ILE 65 62.352 -0.216 -14.170 509 2HD1 ILE 65 HD13 ILE 65 62.035 0.273 -12.506 510 3HD1 ILE 65 HD12 ILE 65 62.450 -1.402 -12.868 511 H SER 66 HN SER 66 58.007 -0.928 -16.342 512 HA SER 66 HA SER 66 55.953 0.719 -15.216 513 1HB SER 66 HB2 SER 66 56.851 2.264 -17.011 514 2HB SER 66 HB1 SER 66 56.336 1.074 -18.203 515 HG SER 66 HG SER 66 54.888 2.930 -16.916 516 H HIS 67 HN HIS 67 56.473 -2.039 -15.359 517 HA HIS 67 HA HIS 67 53.972 -2.980 -16.567 518 1HB HIS 67 HB2 HIS 67 56.062 -3.028 -18.256 519 2HB HIS 67 HB1 HIS 67 56.359 -4.550 -17.413 520 HD1 HIS 67 HD1 HIS 67 54.726 -3.435 -20.315 521 HD2 HIS 67 HD2 HIS 67 53.562 -5.978 -17.223 522 HE1 HIS 67 HE1 HIS 67 52.821 -4.837 -21.219 523 H LYS 68 HN LYS 68 55.276 -5.784 -16.499 524 HA LYS 68 HA LYS 68 54.385 -6.674 -14.035 525 1HB LYS 68 HB2 LYS 68 56.966 -7.723 -15.206 526 2HB LYS 68 HB1 LYS 68 55.720 -8.617 -14.332 527 1HG LYS 68 HG2 LYS 68 54.153 -7.884 -16.278 528 2HG LYS 68 HG1 LYS 68 55.651 -7.562 -17.152 529 1HD LYS 68 HD2 LYS 68 56.371 -9.845 -16.926 530 2HD LYS 68 HD1 LYS 68 55.064 -10.205 -15.798 531 1HE LYS 68 HE2 LYS 68 54.199 -11.052 -17.792 532 2HE LYS 68 HE1 LYS 68 53.521 -9.424 -17.779 533 1HZ LYS 68 HZ2 LYS 68 56.152 -9.838 -19.003 534 2HZ LYS 68 HZ1 LYS 68 54.774 -10.337 -19.864 535 3HZ LYS 68 HZ3 LYS 68 54.939 -8.715 -19.397 536 H ASP 69 HN ASP 69 57.675 -5.492 -14.727 537 HA ASP 69 HA ASP 69 58.670 -5.721 -12.085 538 1HB ASP 69 HB2 ASP 69 59.452 -4.252 -14.557 539 2HB ASP 69 HB1 ASP 69 60.116 -3.659 -13.034 540 H MET 70 HN MET 70 57.561 -2.800 -13.827 541 HA MET 70 HA MET 70 57.422 -1.176 -11.450 542 1HB MET 70 HB2 MET 70 57.613 -0.391 -13.876 543 2HB MET 70 HB1 MET 70 55.886 -0.713 -14.015 544 1HG MET 70 HG2 MET 70 56.989 1.014 -11.804 545 2HG MET 70 HG1 MET 70 56.590 1.687 -13.383 546 1HE MET 70 HE3 MET 70 55.497 3.091 -11.547 547 2HE MET 70 HE2 MET 70 53.781 2.946 -11.175 548 3HE MET 70 HE1 MET 70 54.967 2.137 -10.154 549 H GLN 71 HN GLN 71 54.640 -2.029 -13.534 550 HA GLN 71 HA GLN 71 52.586 -1.492 -11.789 551 1HB GLN 71 HB2 GLN 71 52.618 -2.635 -14.185 552 2HB GLN 71 HB1 GLN 71 52.430 -4.109 -13.234 553 1HG GLN 71 HG2 GLN 71 50.616 -2.384 -12.053 554 2HG GLN 71 HG1 GLN 71 50.491 -1.975 -13.763 555 1HE2 GLN 71 HE21 GLN 71 48.968 -3.236 -14.835 556 2HE2 GLN 71 HE22 GLN 71 48.568 -4.836 -14.439 557 H LEU 72 HN LEU 72 54.623 -4.429 -11.733 558 HA LEU 72 HA LEU 72 53.235 -5.253 -9.213 559 1HB LEU 72 HB2 LEU 72 54.337 -6.662 -11.491 560 2HB LEU 72 HB1 LEU 72 55.033 -7.265 -9.990 561 HG LEU 72 HG LEU 72 52.717 -7.489 -9.092 562 1HD1 LEU 72 HD13 LEU 72 52.205 -6.152 -11.672 563 2HD1 LEU 72 HD12 LEU 72 51.100 -7.474 -11.290 564 3HD1 LEU 72 HD11 LEU 72 51.264 -6.112 -10.183 565 1HD2 LEU 72 HD21 LEU 72 53.835 -8.976 -11.379 566 2HD2 LEU 72 HD23 LEU 72 53.186 -9.586 -9.856 567 3HD2 LEU 72 HD22 LEU 72 52.094 -9.177 -11.178 568 H GLY 73 HN GLY 73 56.553 -5.816 -10.315 569 1HA GLY 73 HA2 GLY 73 57.852 -5.821 -7.895 570 2HA GLY 73 HA1 GLY 73 58.603 -5.205 -9.366 571 H ARG 74 HN ARG 74 56.504 -3.077 -9.572 572 HA ARG 74 HA ARG 74 56.201 -0.850 -8.840 573 1HB ARG 74 HB2 ARG 74 57.334 -1.801 -6.194 574 2HB ARG 74 HB1 ARG 74 56.309 -0.394 -6.476 575 1HG ARG 74 HG2 ARG 74 54.770 -2.389 -7.542 576 2HG ARG 74 HG1 ARG 74 55.569 -3.241 -6.220 577 1HD ARG 74 HD2 ARG 74 54.912 -1.204 -4.768 578 2HD ARG 74 HD1 ARG 74 53.800 -0.800 -6.076 579 HE ARG 74 HE ARG 74 53.681 -3.483 -4.767 580 1HH1 ARG 74 HH21 ARG 74 52.088 -1.352 -6.777 581 2HH1 ARG 74 HH22 ARG 74 50.562 -1.428 -5.961 582 1HH2 ARG 74 HH12 ARG 74 51.793 -3.227 -3.264 583 2HH2 ARG 74 HH11 ARG 74 50.396 -2.489 -3.974 No H/Q in entry = 583 Start of MODEL 9 1 H MET 1 HN MET 1 55.469 -11.518 -10.218 2 HA MET 1 HA MET 1 56.204 -10.943 -8.052 3 1HB MET 1 HB2 MET 1 57.925 -9.304 -9.885 4 2HB MET 1 HB1 MET 1 58.113 -9.239 -8.130 5 1HG MET 1 HG2 MET 1 59.641 -10.918 -9.034 6 2HG MET 1 HG1 MET 1 58.376 -11.721 -8.104 7 1HE MET 1 HE1 MET 1 60.444 -12.663 -10.333 8 2HE MET 1 HE3 MET 1 59.757 -13.073 -11.910 9 3HE MET 1 HE2 MET 1 60.144 -11.398 -11.521 10 H LEU 2 HN LEU 2 53.885 -9.865 -8.011 11 HA LEU 2 HA LEU 2 53.791 -6.986 -8.046 12 1HB LEU 2 HB2 LEU 2 51.820 -8.614 -8.212 13 2HB LEU 2 HB1 LEU 2 51.963 -8.795 -6.465 14 HG LEU 2 HG LEU 2 51.923 -6.174 -6.456 15 1HD1 LEU 2 HD11 LEU 2 51.142 -6.908 -9.233 16 2HD1 LEU 2 HD13 LEU 2 50.180 -5.657 -8.447 17 3HD1 LEU 2 HD12 LEU 2 51.921 -5.444 -8.633 18 1HD2 LEU 2 HD23 LEU 2 50.170 -7.681 -5.525 19 2HD2 LEU 2 HD22 LEU 2 49.481 -6.233 -6.259 20 3HD2 LEU 2 HD21 LEU 2 49.428 -7.769 -7.123 21 H GLN 3 HN GLN 3 55.608 -8.856 -6.099 22 HA GLN 3 HA GLN 3 56.108 -6.882 -4.135 23 1HB GLN 3 HB2 GLN 3 54.922 -7.664 -2.197 24 2HB GLN 3 HB1 GLN 3 53.730 -7.528 -3.488 25 1HG GLN 3 HG2 GLN 3 54.490 -10.062 -3.919 26 2HG GLN 3 HG1 GLN 3 54.837 -9.967 -2.192 27 1HE2 GLN 3 HE22 GLN 3 51.268 -10.982 -2.534 28 2HE2 GLN 3 HE21 GLN 3 52.764 -11.658 -2.960 29 H LYS 4 HN LYS 4 57.944 -8.307 -5.413 30 HA LYS 4 HA LYS 4 58.625 -10.680 -3.769 31 1HB LYS 4 HB2 LYS 4 58.983 -9.986 -6.510 32 2HB LYS 4 HB1 LYS 4 60.583 -10.174 -5.790 33 1HG LYS 4 HG2 LYS 4 58.389 -12.200 -5.338 34 2HG LYS 4 HG1 LYS 4 59.480 -12.302 -6.720 35 1HD LYS 4 HD2 LYS 4 60.660 -13.578 -5.189 36 2HD LYS 4 HD1 LYS 4 61.335 -11.985 -4.844 37 1HE LYS 4 HE2 LYS 4 60.557 -13.349 -2.819 38 2HE LYS 4 HE1 LYS 4 59.949 -11.698 -2.929 39 1HZ LYS 4 HZ1 LYS 4 58.392 -13.828 -4.195 40 2HZ LYS 4 HZ3 LYS 4 58.352 -13.720 -2.504 41 3HZ LYS 4 HZ2 LYS 4 57.864 -12.395 -3.450 42 H LYS 5 HN LYS 5 60.238 -7.661 -4.883 43 HA LYS 5 HA LYS 5 62.449 -8.085 -3.088 44 1HB LYS 5 HB2 LYS 5 62.951 -6.981 -5.130 45 2HB LYS 5 HB1 LYS 5 61.576 -5.887 -4.968 46 1HG LYS 5 HG2 LYS 5 62.820 -4.419 -3.824 47 2HG LYS 5 HG1 LYS 5 63.255 -5.677 -2.679 48 1HD LYS 5 HD2 LYS 5 64.764 -6.345 -4.889 49 2HD LYS 5 HD1 LYS 5 64.816 -4.581 -4.896 50 1HE LYS 5 HE2 LYS 5 65.210 -5.067 -2.250 51 2HE LYS 5 HE1 LYS 5 65.969 -6.496 -2.952 52 1HZ LYS 5 HZ3 LYS 5 66.720 -4.269 -4.467 53 2HZ LYS 5 HZ2 LYS 5 66.969 -3.887 -2.831 54 3HZ LYS 5 HZ1 LYS 5 67.701 -5.262 -3.505 55 H ILE 6 HN ILE 6 59.371 -6.434 -2.959 56 HA ILE 6 HA ILE 6 60.208 -4.931 -0.542 57 HB ILE 6 HB ILE 6 57.487 -4.924 -1.845 58 1HG1 ILE 6 HG12 ILE 6 59.530 -4.456 -3.373 59 2HG1 ILE 6 HG11 ILE 6 58.223 -3.263 -3.354 60 1HG2 ILE 6 HG22 ILE 6 58.747 -3.577 0.390 61 2HG2 ILE 6 HG21 ILE 6 58.240 -2.405 -0.825 62 3HG2 ILE 6 HG23 ILE 6 57.063 -3.521 -0.132 63 1HD1 ILE 6 HD12 ILE 6 59.491 -1.923 -1.699 64 2HD1 ILE 6 HD11 ILE 6 60.800 -3.104 -1.758 65 3HD1 ILE 6 HD13 ILE 6 60.408 -2.148 -3.188 66 H GLU 7 HN GLU 7 58.212 -7.677 -1.474 67 HA GLU 7 HA GLU 7 56.930 -7.891 1.141 68 1HB GLU 7 HB2 GLU 7 56.015 -8.868 -1.034 69 2HB GLU 7 HB1 GLU 7 57.286 -10.086 -0.922 70 1HG GLU 7 HG2 GLU 7 55.933 -11.278 0.418 71 2HG GLU 7 HG1 GLU 7 56.094 -10.005 1.627 72 H GLU 8 HN GLU 8 59.870 -8.881 -0.382 73 HA GLU 8 HA GLU 8 60.581 -10.917 1.568 74 1HB GLU 8 HB2 GLU 8 62.679 -11.011 0.399 75 2HB GLU 8 HB1 GLU 8 61.432 -10.768 -0.826 76 1HG GLU 8 HG2 GLU 8 61.885 -8.332 -0.817 77 2HG GLU 8 HG1 GLU 8 63.138 -8.589 0.413 78 H ILE 9 HN ILE 9 61.529 -7.522 0.981 79 HA ILE 9 HA ILE 9 63.317 -7.411 3.240 80 HB ILE 9 HB ILE 9 63.141 -5.842 1.154 81 1HG1 ILE 9 HG12 ILE 9 64.837 -5.489 2.810 82 2HG1 ILE 9 HG11 ILE 9 64.044 -3.932 2.572 83 1HG2 ILE 9 HG22 ILE 9 60.723 -5.270 1.740 84 2HG2 ILE 9 HG21 ILE 9 61.374 -4.306 3.066 85 3HG2 ILE 9 HG23 ILE 9 61.778 -3.900 1.397 86 1HD1 ILE 9 HD11 ILE 9 62.507 -4.644 4.530 87 2HD1 ILE 9 HD13 ILE 9 63.739 -5.861 4.869 88 3HD1 ILE 9 HD12 ILE 9 64.154 -4.148 4.919 89 H ALA 10 HN ALA 10 59.921 -6.657 2.722 90 HA ALA 10 HA ALA 10 59.394 -5.476 5.271 91 1HB ALA 10 HB3 ALA 10 57.875 -5.508 3.217 92 2HB ALA 10 HB2 ALA 10 57.458 -7.159 3.674 93 3HB ALA 10 HB1 ALA 10 57.085 -5.821 4.761 94 H ALA 11 HN ALA 11 58.956 -8.813 4.080 95 HA ALA 11 HA ALA 11 58.155 -9.895 6.600 96 1HB ALA 11 HB1 ALA 11 57.842 -11.060 4.430 97 2HB ALA 11 HB3 ALA 11 59.588 -11.291 4.324 98 3HB ALA 11 HB2 ALA 11 58.671 -12.074 5.612 99 H LYS 12 HN LYS 12 61.342 -9.210 5.215 100 HA LYS 12 HA LYS 12 62.627 -10.744 7.383 101 1HB LYS 12 HB2 LYS 12 64.656 -10.433 6.278 102 2HB LYS 12 HB1 LYS 12 63.510 -10.433 4.940 103 1HG LYS 12 HG2 LYS 12 64.313 -8.423 4.347 104 2HG LYS 12 HG1 LYS 12 63.630 -7.758 5.830 105 1HD LYS 12 HD2 LYS 12 65.976 -7.215 5.830 106 2HD LYS 12 HD1 LYS 12 65.754 -8.508 7.008 107 1HE LYS 12 HE2 LYS 12 67.079 -9.910 5.844 108 2HE LYS 12 HE1 LYS 12 66.215 -9.576 4.343 109 1HZ LYS 12 HZ1 LYS 12 68.106 -7.609 5.461 110 2HZ LYS 12 HZ3 LYS 12 68.668 -8.905 4.523 111 3HZ LYS 12 HZ2 LYS 12 67.575 -7.788 3.857 112 H TYR 13 HN TYR 13 60.991 -8.774 8.420 113 HA TYR 13 HA TYR 13 62.931 -6.713 9.368 114 1HB TYR 13 HB2 TYR 13 59.954 -6.725 9.031 115 2HB TYR 13 HB1 TYR 13 60.661 -5.727 10.294 116 HD1 TYR 13 HD1 TYR 13 63.171 -4.808 9.200 117 HD2 TYR 13 HD2 TYR 13 59.391 -5.328 7.232 118 HE1 TYR 13 HE1 TYR 13 63.812 -3.101 7.520 119 HE2 TYR 13 HE2 TYR 13 60.034 -3.625 5.552 120 HH TYR 13 HH TYR 13 63.004 -2.675 4.934 121 H LYS 14 HN LYS 14 63.335 -6.562 11.556 122 HA LYS 14 HA LYS 14 62.550 -8.876 13.194 123 1HB LYS 14 HB2 LYS 14 64.766 -7.117 13.114 124 2HB LYS 14 HB1 LYS 14 63.970 -6.832 14.662 125 1HG LYS 14 HG2 LYS 14 64.555 -9.622 13.660 126 2HG LYS 14 HG1 LYS 14 65.731 -8.704 14.602 127 1HD LYS 14 HD2 LYS 14 64.573 -9.899 16.258 128 2HD LYS 14 HD1 LYS 14 63.752 -8.338 16.264 129 1HE LYS 14 HE2 LYS 14 61.853 -9.174 15.246 130 2HE LYS 14 HE1 LYS 14 62.738 -10.446 14.402 131 1HZ LYS 14 HZ1 LYS 14 62.685 -10.559 17.318 132 2HZ LYS 14 HZ3 LYS 14 61.244 -10.936 16.507 133 3HZ LYS 14 HZ2 LYS 14 62.657 -11.820 16.180 134 H HIS 15 HN HIS 15 60.322 -7.345 12.530 135 HA HIS 15 HA HIS 15 59.193 -6.782 15.098 136 1HB HIS 15 HB2 HIS 15 60.693 -4.641 13.932 137 2HB HIS 15 HB1 HIS 15 58.984 -4.211 13.869 138 HD1 HIS 15 HD1 HIS 15 61.289 -3.092 15.896 139 HD2 HIS 15 HD2 HIS 15 58.209 -5.754 16.791 140 HE1 HIS 15 HE1 HIS 15 60.925 -2.951 18.399 141 H SER 16 HN SER 16 57.305 -7.784 14.495 142 HA SER 16 HA SER 16 56.073 -8.004 12.052 143 1HB SER 16 HB2 SER 16 55.296 -8.514 14.624 144 2HB SER 16 HB1 SER 16 54.154 -7.256 14.161 145 HG SER 16 HG SER 16 53.495 -9.428 13.616 146 H VAL 17 HN VAL 17 55.787 -5.096 14.154 147 HA VAL 17 HA VAL 17 53.888 -3.724 12.554 148 HB VAL 17 HB VAL 17 56.072 -2.685 14.376 149 1HG1 VAL 17 HG11 VAL 17 53.748 -1.228 13.080 150 2HG1 VAL 17 HG13 VAL 17 54.782 -0.558 14.342 151 3HG1 VAL 17 HG12 VAL 17 55.461 -0.947 12.761 152 1HG2 VAL 17 HG23 VAL 17 53.557 -3.949 14.820 153 2HG2 VAL 17 HG22 VAL 17 54.629 -3.225 16.019 154 3HG2 VAL 17 HG21 VAL 17 53.373 -2.250 15.256 155 H VAL 18 HN VAL 18 57.456 -3.746 12.374 156 HA VAL 18 HA VAL 18 57.809 -1.707 10.465 157 HB VAL 18 HB VAL 18 59.301 -4.342 10.420 158 1HG1 VAL 18 HG13 VAL 18 59.910 -1.503 9.613 159 2HG1 VAL 18 HG12 VAL 18 61.185 -2.695 9.859 160 3HG1 VAL 18 HG11 VAL 18 59.965 -2.951 8.611 161 1HG2 VAL 18 HG23 VAL 18 58.976 -2.807 12.678 162 2HG2 VAL 18 HG22 VAL 18 60.369 -3.835 12.353 163 3HG2 VAL 18 HG21 VAL 18 60.435 -2.118 11.974 164 H LYS 19 HN LYS 19 56.315 -4.813 10.152 165 HA LYS 19 HA LYS 19 56.606 -5.219 7.345 166 1HB LYS 19 HB2 LYS 19 55.584 -6.787 9.154 167 2HB LYS 19 HB1 LYS 19 54.083 -5.913 8.844 168 1HG LYS 19 HG2 LYS 19 53.849 -7.560 7.254 169 2HG LYS 19 HG1 LYS 19 54.792 -6.410 6.304 170 1HD LYS 19 HD2 LYS 19 56.071 -8.310 5.988 171 2HD LYS 19 HD1 LYS 19 56.833 -7.679 7.447 172 1HE LYS 19 HE2 LYS 19 56.325 -9.612 8.482 173 2HE LYS 19 HE1 LYS 19 54.619 -9.194 8.327 174 1HZ LYS 19 HZ2 LYS 19 55.812 -10.222 5.912 175 2HZ LYS 19 HZ1 LYS 19 55.786 -11.338 7.194 176 3HZ LYS 19 HZ3 LYS 19 54.341 -10.631 6.657 177 H LYS 20 HN LYS 20 53.944 -3.657 9.169 178 HA LYS 20 HA LYS 20 52.482 -2.774 6.897 179 1HB LYS 20 HB2 LYS 20 51.385 -2.639 9.003 180 2HB LYS 20 HB1 LYS 20 52.705 -1.716 9.716 181 1HG LYS 20 HG2 LYS 20 51.727 0.214 9.092 182 2HG LYS 20 HG1 LYS 20 51.737 -0.300 7.403 183 1HD LYS 20 HD2 LYS 20 49.442 0.077 7.969 184 2HD LYS 20 HD1 LYS 20 49.657 -1.674 7.946 185 1HE LYS 20 HE2 LYS 20 48.844 -1.712 10.046 186 2HE LYS 20 HE1 LYS 20 50.328 -0.907 10.557 187 1HZ LYS 20 HZ2 LYS 20 48.989 1.172 9.648 188 2HZ LYS 20 HZ1 LYS 20 47.671 0.202 10.105 189 3HZ LYS 20 HZ3 LYS 20 48.845 0.629 11.252 190 H CYS 21 HN CYS 21 55.017 -1.151 8.800 191 HA CYS 21 HA CYS 21 55.055 1.336 7.523 192 1HB CYS 21 HB2 CYS 21 57.326 -0.337 8.625 193 2HB CYS 21 HB1 CYS 21 57.529 1.331 8.095 194 H CYS 22 HN CYS 22 56.930 -1.562 6.559 195 HA CYS 22 HA CYS 22 57.903 -0.318 4.134 196 1HB CYS 22 HB2 CYS 22 59.226 -2.110 4.911 197 2HB CYS 22 HB1 CYS 22 57.829 -3.150 5.180 198 H TYR 23 HN TYR 23 54.975 -1.903 5.078 199 HA TYR 23 HA TYR 23 54.098 -2.808 2.519 200 1HB TYR 23 HB2 TYR 23 52.948 -2.423 5.146 201 2HB TYR 23 HB1 TYR 23 51.815 -1.953 3.893 202 HD1 TYR 23 HD2 TYR 23 51.586 -3.561 1.849 203 HD2 TYR 23 HD1 TYR 23 53.200 -4.644 5.669 204 HE1 TYR 23 HE2 TYR 23 51.150 -5.953 1.349 205 HE2 TYR 23 HE1 TYR 23 52.772 -6.999 5.170 206 HH TYR 23 HH TYR 23 52.046 -8.493 3.693 207 H ASP 24 HN ASP 24 53.470 0.239 4.270 208 HA ASP 24 HA ASP 24 52.132 1.499 2.047 209 1HB ASP 24 HB2 ASP 24 53.582 3.101 4.123 210 2HB ASP 24 HB1 ASP 24 51.998 3.382 3.404 211 H GLY 25 HN GLY 25 55.451 1.763 3.375 212 1HA GLY 25 HA2 GLY 25 56.597 3.613 1.684 213 2HA GLY 25 HA1 GLY 25 57.455 2.146 2.173 214 H ALA 26 HN ALA 26 56.282 0.129 0.889 215 HA ALA 26 HA ALA 26 57.051 0.458 -1.861 216 1HB ALA 26 HB3 ALA 26 56.508 -1.697 -0.200 217 2HB ALA 26 HB2 ALA 26 55.171 -1.732 -1.350 218 3HB ALA 26 HB1 ALA 26 56.835 -1.798 -1.931 219 H CYS 27 HN CYS 27 53.947 0.581 -0.166 220 HA CYS 27 HA CYS 27 52.462 0.894 -2.689 221 1HB CYS 27 HB2 CYS 27 51.571 1.086 0.205 222 2HB CYS 27 HB1 CYS 27 50.493 1.148 -1.189 223 HG CYS 27 HG CYS 27 50.682 -1.316 -1.459 224 H VAL 28 HN VAL 28 54.511 2.880 -1.350 225 HA VAL 28 HA VAL 28 53.743 5.261 -0.470 226 HB VAL 28 HB VAL 28 55.933 5.169 -1.323 227 1HG1 VAL 28 HG12 VAL 28 54.597 4.251 -3.852 228 2HG1 VAL 28 HG11 VAL 28 56.221 4.938 -3.912 229 3HG1 VAL 28 HG13 VAL 28 55.910 3.494 -2.948 230 1HG2 VAL 28 HG21 VAL 28 54.316 7.282 -2.038 231 2HG2 VAL 28 HG23 VAL 28 56.072 7.259 -2.193 232 3HG2 VAL 28 HG22 VAL 28 55.059 6.846 -3.577 233 H ASN 29 HN ASN 29 52.338 6.930 -0.947 234 HA ASN 29 HA ASN 29 50.186 6.431 -2.789 235 1HB ASN 29 HB2 ASN 29 50.958 8.620 -0.926 236 2HB ASN 29 HB1 ASN 29 49.804 9.016 -2.202 237 1HD2 ASN 29 HD22 ASN 29 48.217 7.405 0.947 238 2HD2 ASN 29 HD21 ASN 29 49.499 8.513 0.858 239 H ASN 30 HN ASN 30 53.242 7.367 -3.593 240 HA ASN 30 HA ASN 30 52.376 8.303 -6.195 241 1HB ASN 30 HB2 ASN 30 53.810 10.484 -5.877 242 2HB ASN 30 HB1 ASN 30 52.131 10.457 -5.340 243 1HD2 ASN 30 HD22 ASN 30 55.002 11.157 -2.648 244 2HD2 ASN 30 HD21 ASN 30 55.250 11.221 -4.324 245 H ASP 31 HN ASP 31 55.352 9.019 -4.322 246 HA ASP 31 HA ASP 31 56.890 6.865 -5.354 247 1HB ASP 31 HB2 ASP 31 56.580 7.782 -7.549 248 2HB ASP 31 HB1 ASP 31 56.928 9.416 -6.980 249 H GLU 32 HN GLU 32 58.007 10.193 -5.594 250 HA GLU 32 HA GLU 32 60.244 9.814 -3.902 251 1HB GLU 32 HB2 GLU 32 58.915 12.074 -5.206 252 2HB GLU 32 HB1 GLU 32 59.708 12.511 -3.692 253 1HG GLU 32 HG2 GLU 32 61.741 11.209 -4.568 254 2HG GLU 32 HG1 GLU 32 60.942 11.240 -6.139 255 H THR 33 HN THR 33 58.032 12.361 -2.910 256 HA THR 33 HA THR 33 58.466 11.797 -0.125 257 HB THR 33 HB THR 33 56.293 13.418 -0.094 258 HG1 THR 33 HG1 THR 33 57.596 14.229 -2.431 259 1HG2 THR 33 HG23 THR 33 58.872 13.686 0.520 260 2HG2 THR 33 HG22 THR 33 58.871 14.659 -0.951 261 3HG2 THR 33 HG21 THR 33 57.810 15.088 0.392 262 H CYS 34 HN CYS 34 57.780 9.533 -0.058 263 HA CYS 34 HA CYS 34 55.032 8.770 -0.542 264 1HB CYS 34 HB2 CYS 34 55.846 6.959 1.351 265 2HB CYS 34 HB1 CYS 34 56.087 6.764 -0.377 266 H GLU 35 HN GLU 35 56.340 8.239 2.685 267 HA GLU 35 HA GLU 35 53.928 8.977 3.997 268 1HB GLU 35 HB2 GLU 35 56.779 8.938 5.005 269 2HB GLU 35 HB1 GLU 35 55.390 9.167 6.056 270 1HG GLU 35 HG2 GLU 35 55.266 6.861 4.192 271 2HG GLU 35 HG1 GLU 35 56.399 6.727 5.540 272 H GLN 36 HN GLN 36 56.731 10.844 2.975 273 HA GLN 36 HA GLN 36 56.265 13.273 4.341 274 1HB GLN 36 HB2 GLN 36 57.487 12.513 1.723 275 2HB GLN 36 HB1 GLN 36 57.014 14.203 1.911 276 1HG GLN 36 HG2 GLN 36 58.478 12.974 4.190 277 2HG GLN 36 HG1 GLN 36 59.409 13.272 2.723 278 1HE2 GLN 36 HE22 GLN 36 59.663 16.710 3.385 279 2HE2 GLN 36 HE21 GLN 36 60.282 15.340 2.598 280 H ARG 37 HN ARG 37 54.859 11.952 1.359 281 HA ARG 37 HA ARG 37 53.036 14.149 0.926 282 1HB ARG 37 HB2 ARG 37 53.315 11.349 -0.089 283 2HB ARG 37 HB1 ARG 37 51.740 12.124 -0.266 284 1HG ARG 37 HG2 ARG 37 54.333 13.416 -1.150 285 2HG ARG 37 HG1 ARG 37 53.307 12.467 -2.226 286 1HD ARG 37 HD2 ARG 37 52.287 14.837 -0.643 287 2HD ARG 37 HD1 ARG 37 52.897 14.971 -2.292 288 HE ARG 37 HE ARG 37 50.887 12.915 -2.138 289 1HH1 ARG 37 HH12 ARG 37 51.080 14.966 -4.318 290 2HH1 ARG 37 HH11 ARG 37 49.672 15.933 -4.030 291 1HH2 ARG 37 HH21 ARG 37 49.192 14.748 -0.807 292 2HH2 ARG 37 HH22 ARG 37 48.605 15.811 -2.043 293 H ALA 38 HN ALA 38 52.954 11.133 2.779 294 HA ALA 38 HA ALA 38 50.264 10.943 3.489 295 1HB ALA 38 HB1 ALA 38 52.197 9.483 4.327 296 2HB ALA 38 HB3 ALA 38 52.500 10.737 5.529 297 3HB ALA 38 HB2 ALA 38 50.965 9.872 5.525 298 H ALA 39 HN ALA 39 52.609 12.590 5.580 299 HA ALA 39 HA ALA 39 51.375 15.135 5.624 300 1HB ALA 39 HB3 ALA 39 50.095 13.086 7.364 301 2HB ALA 39 HB2 ALA 39 50.397 14.659 8.099 302 3HB ALA 39 HB1 ALA 39 49.402 14.540 6.648 303 H ARG 40 HN ARG 40 52.774 12.619 7.628 304 HA ARG 40 HA ARG 40 55.238 13.944 8.118 305 1HB ARG 40 HB2 ARG 40 53.033 14.776 9.844 306 2HB ARG 40 HB1 ARG 40 54.364 14.067 10.761 307 1HG ARG 40 HG2 ARG 40 55.952 15.602 9.732 308 2HG ARG 40 HG1 ARG 40 54.689 16.259 8.691 309 1HD ARG 40 HD2 ARG 40 53.523 16.591 11.119 310 2HD ARG 40 HD1 ARG 40 55.222 16.764 11.562 311 HE ARG 40 HE ARG 40 55.077 18.416 9.415 312 1HH1 ARG 40 HH12 ARG 40 54.158 18.555 12.610 313 2HH1 ARG 40 HH11 ARG 40 53.101 19.917 12.445 314 1HH2 ARG 40 HH21 ARG 40 53.218 19.925 8.979 315 2HH2 ARG 40 HH22 ARG 40 52.570 20.693 10.390 316 H ILE 41 HN ILE 41 56.351 12.022 8.177 317 HA ILE 41 HA ILE 41 55.329 9.536 8.904 318 HB ILE 41 HB ILE 41 57.607 9.890 7.904 319 1HG1 ILE 41 HG12 ILE 41 58.605 7.991 9.153 320 2HG1 ILE 41 HG11 ILE 41 57.382 8.204 10.405 321 1HG2 ILE 41 HG22 ILE 41 57.992 11.483 10.158 322 2HG2 ILE 41 HG21 ILE 41 58.935 10.030 10.493 323 3HG2 ILE 41 HG23 ILE 41 59.242 10.962 9.028 324 1HD1 ILE 41 HD12 ILE 41 56.539 7.897 7.535 325 2HD1 ILE 41 HD11 ILE 41 56.932 6.469 8.493 326 3HD1 ILE 41 HD13 ILE 41 55.628 7.543 9.003 327 H SER 42 HN SER 42 54.015 9.493 10.635 328 HA SER 42 HA SER 42 55.423 9.720 13.198 329 1HB SER 42 HB2 SER 42 53.929 11.174 14.178 330 2HB SER 42 HB1 SER 42 53.915 11.788 12.523 331 HG SER 42 HG SER 42 52.142 10.133 12.277 332 H LEU 43 HN LEU 43 55.064 7.385 12.038 333 HA LEU 43 HA LEU 43 52.766 6.284 13.541 334 1HB LEU 43 HB2 LEU 43 53.957 5.529 10.897 335 2HB LEU 43 HB1 LEU 43 53.235 4.258 11.884 336 HG LEU 43 HG LEU 43 51.723 6.813 11.427 337 1HD1 LEU 43 HD11 LEU 43 52.273 4.634 9.450 338 2HD1 LEU 43 HD13 LEU 43 50.648 5.318 9.504 339 3HD1 LEU 43 HD12 LEU 43 52.033 6.359 9.178 340 1HD2 LEU 43 HD22 LEU 43 51.263 4.141 12.515 341 2HD2 LEU 43 HD21 LEU 43 50.307 5.609 12.717 342 3HD2 LEU 43 HD23 LEU 43 50.055 4.579 11.308 343 H GLY 44 HN GLY 44 56.087 6.591 13.416 344 1HA GLY 44 HA2 GLY 44 56.860 5.350 15.674 345 2HA GLY 44 HA1 GLY 44 56.666 3.948 14.622 346 HA PRO 45 HA PRO 45 60.931 5.936 13.926 347 1HB PRO 45 HB2 PRO 45 62.399 4.126 15.319 348 2HB PRO 45 HB1 PRO 45 61.711 5.574 16.061 349 1HG PRO 45 HG2 PRO 45 60.850 2.755 16.311 350 2HG PRO 45 HG1 PRO 45 60.730 4.082 17.474 351 1HD PRO 45 HD2 PRO 45 58.653 3.100 15.900 352 2HD PRO 45 HD1 PRO 45 58.649 4.636 16.766 353 H ARG 46 HN ARG 46 60.662 2.398 14.450 354 HA ARG 46 HA ARG 46 62.265 1.526 12.355 355 1HB ARG 46 HB2 ARG 46 61.261 -0.564 12.598 356 2HB ARG 46 HB1 ARG 46 60.842 0.193 14.130 357 1HG ARG 46 HG2 ARG 46 59.022 0.235 11.703 358 2HG ARG 46 HG1 ARG 46 58.922 -0.981 12.971 359 1HD ARG 46 HD2 ARG 46 58.975 1.792 13.967 360 2HD ARG 46 HD1 ARG 46 57.556 1.391 13.004 361 HE ARG 46 HE ARG 46 57.724 -0.738 14.729 362 1HH1 ARG 46 HH21 ARG 46 56.114 2.061 14.778 363 2HH1 ARG 46 HH22 ARG 46 56.153 2.331 16.488 364 1HH2 ARG 46 HH12 ARG 46 58.520 -0.132 17.089 365 2HH2 ARG 46 HH11 ARG 46 57.515 1.088 17.797 366 H CYS 47 HN CYS 47 59.127 2.997 12.201 367 HA CYS 47 HA CYS 47 58.366 2.246 9.527 368 1HB CYS 47 HB2 CYS 47 57.352 3.856 11.621 369 2HB CYS 47 HB1 CYS 47 57.553 4.930 10.228 370 H ILE 48 HN ILE 48 59.733 5.294 10.749 371 HA ILE 48 HA ILE 48 60.059 6.744 8.495 372 HB ILE 48 HB ILE 48 61.843 6.344 10.862 373 1HG1 ILE 48 HG12 ILE 48 61.321 8.774 11.115 374 2HG1 ILE 48 HG11 ILE 48 60.374 8.696 9.631 375 1HG2 ILE 48 HG21 ILE 48 62.569 7.730 8.302 376 2HG2 ILE 48 HG23 ILE 48 63.158 8.352 9.842 377 3HG2 ILE 48 HG22 ILE 48 63.572 6.714 9.337 378 1HD1 ILE 48 HD13 ILE 48 58.936 6.954 10.672 379 2HD1 ILE 48 HD12 ILE 48 59.849 7.126 12.169 380 3HD1 ILE 48 HD11 ILE 48 58.891 8.476 11.561 381 H LYS 49 HN LYS 49 62.662 4.443 9.453 382 HA LYS 49 HA LYS 49 63.754 4.556 6.746 383 1HB LYS 49 HB2 LYS 49 64.599 3.553 9.363 384 2HB LYS 49 HB1 LYS 49 65.068 2.499 8.029 385 1HG LYS 49 HG2 LYS 49 66.828 3.933 7.836 386 2HG LYS 49 HG1 LYS 49 65.664 4.941 6.976 387 1HD LYS 49 HD2 LYS 49 66.109 6.519 8.534 388 2HD LYS 49 HD1 LYS 49 65.154 5.527 9.636 389 1HE LYS 49 HE2 LYS 49 67.008 5.279 10.890 390 2HE LYS 49 HE1 LYS 49 67.687 4.317 9.577 391 1HZ LYS 49 HZ2 LYS 49 68.174 6.700 8.617 392 2HZ LYS 49 HZ1 LYS 49 68.148 7.121 10.263 393 3HZ LYS 49 HZ3 LYS 49 69.241 5.949 9.706 394 H ALA 50 HN ALA 50 61.539 2.430 8.430 395 HA ALA 50 HA ALA 50 62.035 0.148 6.738 396 1HB ALA 50 HB3 ALA 50 59.594 0.904 8.378 397 2HB ALA 50 HB2 ALA 50 59.848 -0.665 7.613 398 3HB ALA 50 HB1 ALA 50 60.919 -0.132 8.909 399 H PHE 51 HN PHE 51 59.252 2.338 6.940 400 HA PHE 51 HA PHE 51 58.253 1.689 4.401 401 1HB PHE 51 HB2 PHE 51 56.635 3.249 4.816 402 2HB PHE 51 HB1 PHE 51 57.261 3.131 6.450 403 HD1 PHE 51 HD2 PHE 51 57.678 5.064 3.252 404 HD2 PHE 51 HD1 PHE 51 58.121 5.047 7.509 405 HE1 PHE 51 HE2 PHE 51 58.294 7.471 3.214 406 HE2 PHE 51 HE1 PHE 51 58.728 7.432 7.467 407 HZ PHE 51 HZ PHE 51 58.813 8.649 5.336 408 H THR 52 HN THR 52 60.295 4.438 5.439 409 HA THR 52 HA THR 52 60.463 5.680 2.928 410 HB THR 52 HB THR 52 62.590 5.443 5.070 411 HG1 THR 52 HG1 THR 52 60.810 7.538 4.368 412 1HG2 THR 52 HG23 THR 52 62.481 6.998 2.497 413 2HG2 THR 52 HG22 THR 52 63.386 7.613 3.880 414 3HG2 THR 52 HG21 THR 52 63.815 6.059 3.166 415 H GLU 53 HN GLU 53 62.365 3.008 4.219 416 HA GLU 53 HA GLU 53 64.172 2.739 2.034 417 1HB GLU 53 HB2 GLU 53 64.717 1.766 4.156 418 2HB GLU 53 HB1 GLU 53 63.242 0.804 4.126 419 1HG GLU 53 HG2 GLU 53 65.248 -0.529 3.485 420 2HG GLU 53 HG1 GLU 53 64.049 -0.452 2.194 421 H CYS 54 HN CYS 54 61.027 1.218 2.698 422 HA CYS 54 HA CYS 54 61.227 -0.527 0.362 423 1HB CYS 54 HB2 CYS 54 59.188 0.047 2.465 424 2HB CYS 54 HB1 CYS 54 58.629 -0.653 0.944 425 H CYS 55 HN CYS 55 60.070 2.633 1.073 426 HA CYS 55 HA CYS 55 58.458 2.874 -1.365 427 1HB CYS 55 HB2 CYS 55 57.525 4.286 0.181 428 2HB CYS 55 HB1 CYS 55 59.024 4.448 1.075 429 H VAL 56 HN VAL 56 61.707 3.511 -0.262 430 HA VAL 56 HA VAL 56 62.394 5.173 -2.583 431 HB VAL 56 HB VAL 56 64.185 3.801 -0.541 432 1HG1 VAL 56 HG12 VAL 56 64.693 5.289 -2.980 433 2HG1 VAL 56 HG11 VAL 56 65.414 6.092 -1.586 434 3HG1 VAL 56 HG13 VAL 56 65.826 4.417 -1.948 435 1HG2 VAL 56 HG21 VAL 56 62.395 5.826 -0.041 436 2HG2 VAL 56 HG23 VAL 56 63.883 5.559 0.866 437 3HG2 VAL 56 HG22 VAL 56 63.853 6.730 -0.452 438 H VAL 57 HN VAL 57 62.985 1.853 -1.459 439 HA VAL 57 HA VAL 57 64.485 1.077 -3.782 440 HB VAL 57 HB VAL 57 63.925 -1.223 -3.081 441 1HG1 VAL 57 HG12 VAL 57 64.862 0.827 -1.129 442 2HG1 VAL 57 HG11 VAL 57 64.538 -0.789 -0.503 443 3HG1 VAL 57 HG13 VAL 57 65.723 -0.563 -1.790 444 1HG2 VAL 57 HG23 VAL 57 62.050 0.195 -1.170 445 2HG2 VAL 57 HG22 VAL 57 61.599 -0.919 -2.459 446 3HG2 VAL 57 HG21 VAL 57 62.475 -1.512 -1.047 447 H ALA 58 HN ALA 58 61.113 0.989 -2.777 448 HA ALA 58 HA ALA 58 60.041 -0.129 -5.175 449 1HB ALA 58 HB3 ALA 58 58.877 1.792 -3.134 450 2HB ALA 58 HB2 ALA 58 57.933 1.045 -4.422 451 3HB ALA 58 HB1 ALA 58 58.662 0.042 -3.168 452 H SER 59 HN SER 59 61.141 2.988 -4.149 453 HA SER 59 HA SER 59 59.992 4.649 -6.133 454 1HB SER 59 HB2 SER 59 61.400 5.219 -4.041 455 2HB SER 59 HB1 SER 59 62.775 5.093 -5.134 456 HG SER 59 HG SER 59 61.169 6.503 -6.483 457 H GLN 60 HN GLN 60 63.344 3.453 -6.088 458 HA GLN 60 HA GLN 60 63.959 4.019 -8.784 459 1HB GLN 60 HB2 GLN 60 65.159 2.654 -6.574 460 2HB GLN 60 HB1 GLN 60 65.295 1.636 -8.010 461 1HG GLN 60 HG2 GLN 60 66.499 3.264 -9.202 462 2HG GLN 60 HG1 GLN 60 65.922 4.571 -8.166 463 1HE2 GLN 60 HE22 GLN 60 68.166 3.366 -5.435 464 2HE2 GLN 60 HE21 GLN 60 66.493 3.593 -5.608 465 H LEU 61 HN LEU 61 62.200 1.385 -7.327 466 HA LEU 61 HA LEU 61 62.353 -0.442 -9.533 467 1HB LEU 61 HB2 LEU 61 60.514 -0.074 -7.181 468 2HB LEU 61 HB1 LEU 61 60.142 -1.268 -8.415 469 HG LEU 61 HG LEU 61 62.574 -1.137 -6.664 470 1HD1 LEU 61 HD12 LEU 61 60.326 -2.209 -5.943 471 2HD1 LEU 61 HD11 LEU 61 60.723 -3.469 -7.111 472 3HD1 LEU 61 HD13 LEU 61 61.795 -3.164 -5.743 473 1HD2 LEU 61 HD23 LEU 61 62.076 -2.580 -9.244 474 2HD2 LEU 61 HD22 LEU 61 63.558 -1.821 -8.666 475 3HD2 LEU 61 HD21 LEU 61 63.043 -3.370 -7.999 476 H ARG 62 HN ARG 62 60.206 2.222 -8.644 477 HA ARG 62 HA ARG 62 58.715 1.790 -11.162 478 1HB ARG 62 HB2 ARG 62 57.082 3.407 -10.263 479 2HB ARG 62 HB1 ARG 62 57.357 2.088 -9.125 480 1HG ARG 62 HG2 ARG 62 58.866 3.458 -7.816 481 2HG ARG 62 HG1 ARG 62 58.788 4.756 -9.005 482 1HD ARG 62 HD2 ARG 62 57.258 5.466 -7.368 483 2HD ARG 62 HD1 ARG 62 56.216 4.683 -8.553 484 HE ARG 62 HE ARG 62 56.501 3.846 -5.852 485 1HH1 ARG 62 HH21 ARG 62 57.720 1.483 -6.219 486 2HH1 ARG 62 HH22 ARG 62 56.618 0.418 -7.020 487 1HH2 ARG 62 HH12 ARG 62 54.537 2.965 -8.117 488 2HH2 ARG 62 HH11 ARG 62 54.812 1.255 -8.094 489 H ALA 63 HN ALA 63 61.425 3.422 -10.236 490 HA ALA 63 HA ALA 63 61.071 6.065 -11.183 491 1HB ALA 63 HB3 ALA 63 63.356 4.237 -10.751 492 2HB ALA 63 HB2 ALA 63 63.640 5.523 -11.924 493 3HB ALA 63 HB1 ALA 63 63.157 5.924 -10.275 494 H ASN 64 HN ASN 64 62.802 3.558 -13.062 495 HA ASN 64 HA ASN 64 61.632 4.796 -15.516 496 1HB ASN 64 HB2 ASN 64 64.130 3.099 -15.220 497 2HB ASN 64 HB1 ASN 64 63.565 3.855 -16.710 498 1HD2 ASN 64 HD22 ASN 64 65.946 6.333 -15.537 499 2HD2 ASN 64 HD21 ASN 64 65.887 4.877 -16.408 500 H ILE 65 HN ILE 65 61.941 1.823 -13.704 501 HA ILE 65 HA ILE 65 61.299 -0.069 -15.706 502 HB ILE 65 HB ILE 65 60.054 -0.302 -12.984 503 1HG1 ILE 65 HG12 ILE 65 62.170 0.562 -12.328 504 2HG1 ILE 65 HG11 ILE 65 62.374 -1.188 -12.261 505 1HG2 ILE 65 HG21 ILE 65 60.683 -2.008 -15.195 506 2HG2 ILE 65 HG23 ILE 65 61.625 -2.535 -13.802 507 3HG2 ILE 65 HG22 ILE 65 59.869 -2.428 -13.688 508 1HD1 ILE 65 HD12 ILE 65 63.057 -0.737 -14.847 509 2HD1 ILE 65 HD11 ILE 65 63.577 0.784 -14.121 510 3HD1 ILE 65 HD13 ILE 65 64.226 -0.744 -13.525 511 H SER 66 HN SER 66 59.076 -1.184 -15.884 512 HA SER 66 HA SER 66 56.664 0.170 -15.225 513 1HB SER 66 HB2 SER 66 57.261 1.982 -16.643 514 2HB SER 66 HB1 SER 66 57.903 0.906 -17.880 515 HG SER 66 HG SER 66 55.419 1.841 -17.587 516 H HIS 67 HN HIS 67 57.352 -2.473 -15.204 517 HA HIS 67 HA HIS 67 55.362 -3.619 -17.022 518 1HB HIS 67 HB2 HIS 67 57.991 -3.514 -17.919 519 2HB HIS 67 HB1 HIS 67 57.847 -5.141 -17.261 520 HD1 HIS 67 HD1 HIS 67 56.738 -2.992 -20.075 521 HD2 HIS 67 HD2 HIS 67 55.769 -6.738 -18.525 522 HE1 HIS 67 HE1 HIS 67 55.361 -4.166 -21.847 523 H LYS 68 HN LYS 68 56.549 -6.324 -16.662 524 HA LYS 68 HA LYS 68 55.250 -7.209 -14.388 525 1HB LYS 68 HB2 LYS 68 56.519 -8.583 -16.159 526 2HB LYS 68 HB1 LYS 68 57.948 -8.330 -15.155 527 1HG LYS 68 HG2 LYS 68 57.212 -10.261 -14.160 528 2HG LYS 68 HG1 LYS 68 56.213 -9.127 -13.250 529 1HD LYS 68 HD2 LYS 68 54.360 -10.093 -14.078 530 2HD LYS 68 HD1 LYS 68 54.880 -9.685 -15.713 531 1HE LYS 68 HE2 LYS 68 56.469 -11.880 -14.852 532 2HE LYS 68 HE1 LYS 68 54.792 -12.267 -14.469 533 1HZ LYS 68 HZ2 LYS 68 54.487 -11.255 -16.890 534 2HZ LYS 68 HZ1 LYS 68 56.063 -11.867 -17.056 535 3HZ LYS 68 HZ3 LYS 68 54.793 -12.904 -16.619 536 H ASP 69 HN ASP 69 58.614 -6.031 -14.520 537 HA ASP 69 HA ASP 69 59.195 -6.412 -11.772 538 1HB ASP 69 HB2 ASP 69 60.546 -5.422 -14.049 539 2HB ASP 69 HB1 ASP 69 60.577 -4.123 -12.856 540 H MET 70 HN MET 70 58.249 -3.457 -13.563 541 HA MET 70 HA MET 70 57.858 -1.951 -11.105 542 1HB MET 70 HB2 MET 70 58.348 -1.136 -13.576 543 2HB MET 70 HB1 MET 70 56.590 -1.147 -13.702 544 1HG MET 70 HG2 MET 70 57.657 0.095 -11.242 545 2HG MET 70 HG1 MET 70 58.025 0.958 -12.734 546 1HE MET 70 HE3 MET 70 56.729 2.934 -12.963 547 2HE MET 70 HE2 MET 70 56.350 1.932 -14.361 548 3HE MET 70 HE1 MET 70 55.068 2.842 -13.564 549 H GLN 71 HN GLN 71 55.439 -2.633 -13.653 550 HA GLN 71 HA GLN 71 53.121 -2.173 -12.261 551 1HB GLN 71 HB2 GLN 71 53.458 -3.130 -14.653 552 2HB GLN 71 HB1 GLN 71 53.353 -4.708 -13.873 553 1HG GLN 71 HG2 GLN 71 51.117 -4.292 -14.422 554 2HG GLN 71 HG1 GLN 71 51.199 -3.717 -12.756 555 1HE2 GLN 71 HE22 GLN 71 49.749 -0.738 -14.055 556 2HE2 GLN 71 HE21 GLN 71 49.469 -2.138 -13.138 557 H LEU 72 HN LEU 72 55.155 -5.095 -11.941 558 HA LEU 72 HA LEU 72 53.350 -6.015 -9.739 559 1HB LEU 72 HB2 LEU 72 54.759 -7.343 -11.849 560 2HB LEU 72 HB1 LEU 72 55.381 -7.926 -10.306 561 HG LEU 72 HG LEU 72 53.054 -8.359 -9.575 562 1HD1 LEU 72 HD12 LEU 72 52.436 -7.423 -12.386 563 2HD1 LEU 72 HD11 LEU 72 51.265 -8.150 -11.286 564 3HD1 LEU 72 HD13 LEU 72 51.997 -6.595 -10.893 565 1HD2 LEU 72 HD21 LEU 72 54.467 -9.700 -11.712 566 2HD2 LEU 72 HD23 LEU 72 53.452 -10.404 -10.453 567 3HD2 LEU 72 HD22 LEU 72 52.727 -9.850 -11.963 568 H GLY 73 HN GLY 73 56.824 -6.293 -10.345 569 1HA GLY 73 HA2 GLY 73 57.699 -6.484 -7.729 570 2HA GLY 73 HA1 GLY 73 58.665 -5.780 -9.020 571 H ARG 74 HN ARG 74 57.052 -3.465 -9.543 572 HA ARG 74 HA ARG 74 57.184 -1.214 -8.799 573 1HB ARG 74 HB2 ARG 74 56.052 -1.447 -6.212 574 2HB ARG 74 HB1 ARG 74 55.236 -0.985 -7.700 575 1HG ARG 74 HG2 ARG 74 54.750 -3.334 -8.188 576 2HG ARG 74 HG1 ARG 74 55.614 -3.832 -6.732 577 1HD ARG 74 HD2 ARG 74 53.127 -3.718 -6.424 578 2HD ARG 74 HD1 ARG 74 54.020 -2.668 -5.322 579 HE ARG 74 HE ARG 74 52.855 -1.561 -7.838 580 1HH1 ARG 74 HH21 ARG 74 54.379 -0.086 -5.552 581 2HH1 ARG 74 HH22 ARG 74 53.051 0.709 -4.775 582 1HH2 ARG 74 HH12 ARG 74 50.633 -1.213 -6.351 583 2HH2 ARG 74 HH11 ARG 74 50.930 0.072 -5.228 No H/Q in entry = 583 Start of MODEL 10 1 H MET 1 HN MET 1 54.832 -9.468 -10.417 2 HA MET 1 HA MET 1 55.122 -9.940 -7.553 3 1HB MET 1 HB2 MET 1 56.871 -8.584 -9.598 4 2HB MET 1 HB1 MET 1 57.290 -8.702 -7.888 5 1HG MET 1 HG2 MET 1 58.343 -10.584 -8.876 6 2HG MET 1 HG1 MET 1 56.875 -11.235 -8.148 7 1HE MET 1 HE3 MET 1 59.104 -11.442 -10.604 8 2HE MET 1 HE2 MET 1 58.359 -11.916 -12.128 9 3HE MET 1 HE1 MET 1 58.552 -10.207 -11.744 10 H LEU 2 HN LEU 2 53.045 -8.471 -7.301 11 HA LEU 2 HA LEU 2 53.496 -5.610 -7.421 12 1HB LEU 2 HB2 LEU 2 51.231 -6.815 -7.402 13 2HB LEU 2 HB1 LEU 2 51.482 -7.028 -5.672 14 HG LEU 2 HG LEU 2 51.869 -4.499 -5.565 15 1HD1 LEU 2 HD11 LEU 2 51.070 -4.884 -8.415 16 2HD1 LEU 2 HD13 LEU 2 50.433 -3.470 -7.576 17 3HD1 LEU 2 HD12 LEU 2 52.177 -3.705 -7.710 18 1HD2 LEU 2 HD21 LEU 2 49.485 -6.066 -5.617 19 2HD2 LEU 2 HD23 LEU 2 49.766 -4.549 -4.760 20 3HD2 LEU 2 HD22 LEU 2 49.127 -4.528 -6.404 21 H GLN 3 HN GLN 3 55.165 -7.725 -5.668 22 HA GLN 3 HA GLN 3 56.089 -5.878 -3.727 23 1HB GLN 3 HB2 GLN 3 55.045 -6.683 -1.686 24 2HB GLN 3 HB1 GLN 3 53.773 -6.219 -2.814 25 1HG GLN 3 HG2 GLN 3 52.975 -8.324 -2.942 26 2HG GLN 3 HG1 GLN 3 54.588 -9.001 -3.162 27 1HE2 GLN 3 HE22 GLN 3 53.715 -10.394 0.070 28 2HE2 GLN 3 HE21 GLN 3 53.533 -10.695 -1.592 29 H LYS 4 HN LYS 4 57.554 -7.485 -5.276 30 HA LYS 4 HA LYS 4 58.150 -9.981 -3.809 31 1HB LYS 4 HB2 LYS 4 58.075 -9.609 -6.430 32 2HB LYS 4 HB1 LYS 4 59.735 -9.067 -6.178 33 1HG LYS 4 HG2 LYS 4 58.653 -11.706 -5.157 34 2HG LYS 4 HG1 LYS 4 59.540 -11.527 -6.671 35 1HD LYS 4 HD2 LYS 4 61.418 -11.820 -5.448 36 2HD LYS 4 HD1 LYS 4 61.137 -10.193 -4.830 37 1HE LYS 4 HE2 LYS 4 61.407 -11.732 -2.954 38 2HE LYS 4 HE1 LYS 4 59.738 -11.164 -3.004 39 1HZ LYS 4 HZ2 LYS 4 60.693 -13.716 -4.187 40 2HZ LYS 4 HZ1 LYS 4 59.925 -13.580 -2.677 41 3HZ LYS 4 HZ3 LYS 4 59.083 -13.182 -4.095 42 H LYS 5 HN LYS 5 60.006 -7.127 -4.977 43 HA LYS 5 HA LYS 5 62.225 -7.834 -3.251 44 1HB LYS 5 HB2 LYS 5 63.014 -6.722 -5.119 45 2HB LYS 5 HB1 LYS 5 61.600 -5.676 -5.220 46 1HG LYS 5 HG2 LYS 5 63.439 -4.304 -4.539 47 2HG LYS 5 HG1 LYS 5 62.423 -4.533 -3.127 48 1HD LYS 5 HD2 LYS 5 63.919 -6.166 -2.210 49 2HD LYS 5 HD1 LYS 5 64.808 -6.289 -3.728 50 1HE LYS 5 HE2 LYS 5 65.855 -4.217 -3.438 51 2HE LYS 5 HE1 LYS 5 64.623 -3.643 -2.314 52 1HZ LYS 5 HZ2 LYS 5 66.553 -5.829 -1.751 53 2HZ LYS 5 HZ1 LYS 5 66.711 -4.228 -1.204 54 3HZ LYS 5 HZ3 LYS 5 65.417 -5.183 -0.665 55 H ILE 6 HN ILE 6 59.244 -6.351 -2.771 56 HA ILE 6 HA ILE 6 60.270 -4.716 -0.507 57 HB ILE 6 HB ILE 6 57.411 -4.834 -1.460 58 1HG1 ILE 6 HG12 ILE 6 59.170 -4.354 -3.293 59 2HG1 ILE 6 HG11 ILE 6 57.870 -3.174 -3.094 60 1HG2 ILE 6 HG21 ILE 6 58.897 -3.426 0.564 61 2HG2 ILE 6 HG23 ILE 6 58.283 -2.263 -0.609 62 3HG2 ILE 6 HG22 ILE 6 57.170 -3.350 0.219 63 1HD1 ILE 6 HD13 ILE 6 60.633 -2.959 -1.858 64 2HD1 ILE 6 HD12 ILE 6 60.093 -2.083 -3.291 65 3HD1 ILE 6 HD11 ILE 6 59.344 -1.762 -1.727 66 H GLU 7 HN GLU 7 58.358 -7.561 -1.274 67 HA GLU 7 HA GLU 7 57.337 -7.881 1.437 68 1HB GLU 7 HB2 GLU 7 56.625 -10.090 0.709 69 2HB GLU 7 HB1 GLU 7 56.268 -8.946 -0.584 70 1HG GLU 7 HG2 GLU 7 57.341 -10.519 -1.861 71 2HG GLU 7 HG1 GLU 7 58.775 -9.658 -1.300 72 H GLU 8 HN GLU 8 60.268 -8.498 -0.256 73 HA GLU 8 HA GLU 8 61.288 -10.526 1.559 74 1HB GLU 8 HB2 GLU 8 63.365 -10.278 0.357 75 2HB GLU 8 HB1 GLU 8 62.068 -10.168 -0.832 76 1HG GLU 8 HG2 GLU 8 62.224 -7.741 -0.879 77 2HG GLU 8 HG1 GLU 8 63.371 -7.762 0.472 78 H ILE 9 HN ILE 9 61.663 -7.000 1.202 79 HA ILE 9 HA ILE 9 63.440 -6.810 3.513 80 HB ILE 9 HB ILE 9 63.627 -5.150 1.721 81 1HG1 ILE 9 HG12 ILE 9 63.724 -3.195 3.079 82 2HG1 ILE 9 HG11 ILE 9 62.388 -3.738 4.093 83 1HG2 ILE 9 HG22 ILE 9 60.773 -4.461 2.465 84 2HG2 ILE 9 HG21 ILE 9 61.778 -3.547 1.339 85 3HG2 ILE 9 HG23 ILE 9 61.303 -5.200 0.955 86 1HD1 ILE 9 HD12 ILE 9 63.793 -5.589 4.942 87 2HD1 ILE 9 HD11 ILE 9 65.133 -5.022 3.948 88 3HD1 ILE 9 HD13 ILE 9 64.531 -4.022 5.270 89 H ALA 10 HN ALA 10 60.054 -6.775 2.889 90 HA ALA 10 HA ALA 10 59.268 -5.493 5.380 91 1HB ALA 10 HB3 ALA 10 57.949 -6.764 3.067 92 2HB ALA 10 HB2 ALA 10 57.099 -6.966 4.600 93 3HB ALA 10 HB1 ALA 10 57.463 -5.347 3.999 94 H ALA 11 HN ALA 11 59.646 -8.774 4.162 95 HA ALA 11 HA ALA 11 58.760 -10.010 6.652 96 1HB ALA 11 HB2 ALA 11 60.049 -11.046 4.122 97 2HB ALA 11 HB1 ALA 11 59.762 -12.087 5.517 98 3HB ALA 11 HB3 ALA 11 58.403 -11.318 4.694 99 H LYS 12 HN LYS 12 61.778 -8.910 5.229 100 HA LYS 12 HA LYS 12 63.305 -10.363 7.307 101 1HB LYS 12 HB2 LYS 12 65.251 -9.824 6.132 102 2HB LYS 12 HB1 LYS 12 64.063 -9.941 4.838 103 1HG LYS 12 HG2 LYS 12 64.693 -7.867 4.238 104 2HG LYS 12 HG1 LYS 12 63.869 -7.293 5.689 105 1HD LYS 12 HD2 LYS 12 65.988 -6.432 6.065 106 2HD LYS 12 HD1 LYS 12 66.159 -8.007 6.841 107 1HE LYS 12 HE2 LYS 12 67.937 -8.311 5.473 108 2HE LYS 12 HE1 LYS 12 66.752 -8.557 4.191 109 1HZ LYS 12 HZ3 LYS 12 66.989 -5.826 4.500 110 2HZ LYS 12 HZ2 LYS 12 68.579 -6.422 4.544 111 3HZ LYS 12 HZ1 LYS 12 67.576 -6.764 3.216 112 H TYR 13 HN TYR 13 61.482 -8.579 8.380 113 HA TYR 13 HA TYR 13 63.239 -6.371 9.363 114 1HB TYR 13 HB2 TYR 13 60.279 -6.568 8.922 115 2HB TYR 13 HB1 TYR 13 60.880 -5.516 10.198 116 HD1 TYR 13 HD1 TYR 13 63.400 -4.508 9.139 117 HD2 TYR 13 HD2 TYR 13 59.666 -5.179 7.137 118 HE1 TYR 13 HE1 TYR 13 64.003 -2.796 7.448 119 HE2 TYR 13 HE2 TYR 13 60.269 -3.475 5.440 120 HH TYR 13 HH TYR 13 63.276 -1.592 5.714 121 H LYS 14 HN LYS 14 63.571 -6.220 11.566 122 HA LYS 14 HA LYS 14 62.874 -8.586 13.162 123 1HB LYS 14 HB2 LYS 14 64.628 -6.178 13.545 124 2HB LYS 14 HB1 LYS 14 64.152 -7.136 14.949 125 1HG LYS 14 HG2 LYS 14 65.342 -8.990 14.262 126 2HG LYS 14 HG1 LYS 14 65.166 -8.599 12.550 127 1HD LYS 14 HD2 LYS 14 66.755 -6.712 12.840 128 2HD LYS 14 HD1 LYS 14 66.967 -7.172 14.530 129 1HE LYS 14 HE2 LYS 14 68.561 -8.626 13.897 130 2HE LYS 14 HE1 LYS 14 67.337 -9.530 13.005 131 1HZ LYS 14 HZ1 LYS 14 68.379 -7.111 11.751 132 2HZ LYS 14 HZ3 LYS 14 69.429 -8.441 11.833 133 3HZ LYS 14 HZ2 LYS 14 67.928 -8.593 11.052 134 H HIS 15 HN HIS 15 60.557 -7.182 12.453 135 HA HIS 15 HA HIS 15 59.341 -6.751 15.008 136 1HB HIS 15 HB2 HIS 15 60.743 -4.497 13.950 137 2HB HIS 15 HB1 HIS 15 59.016 -4.160 13.847 138 HD1 HIS 15 HD1 HIS 15 61.511 -3.382 16.058 139 HD2 HIS 15 HD2 HIS 15 57.924 -5.431 16.620 140 HE1 HIS 15 HE1 HIS 15 60.976 -3.226 18.529 141 H SER 16 HN SER 16 57.423 -7.671 14.471 142 HA SER 16 HA SER 16 56.259 -7.983 11.979 143 1HB SER 16 HB2 SER 16 54.405 -8.715 13.096 144 2HB SER 16 HB1 SER 16 55.484 -8.603 14.484 145 HG SER 16 HG SER 16 54.688 -6.390 14.682 146 H VAL 17 HN VAL 17 55.851 -5.063 14.053 147 HA VAL 17 HA VAL 17 53.916 -3.795 12.399 148 HB VAL 17 HB VAL 17 55.998 -2.295 13.980 149 1HG1 VAL 17 HG12 VAL 17 54.243 -1.098 12.617 150 2HG1 VAL 17 HG11 VAL 17 53.018 -1.862 13.631 151 3HG1 VAL 17 HG13 VAL 17 54.179 -0.742 14.344 152 1HG2 VAL 17 HG22 VAL 17 54.148 -4.347 14.917 153 2HG2 VAL 17 HG21 VAL 17 55.429 -3.514 15.798 154 3HG2 VAL 17 HG23 VAL 17 53.827 -2.786 15.671 155 H VAL 18 HN VAL 18 57.466 -3.820 12.230 156 HA VAL 18 HA VAL 18 57.786 -1.697 10.367 157 HB VAL 18 HB VAL 18 59.397 -4.260 10.335 158 1HG1 VAL 18 HG13 VAL 18 59.652 -2.219 8.692 159 2HG1 VAL 18 HG12 VAL 18 60.456 -1.477 10.076 160 3HG1 VAL 18 HG11 VAL 18 61.084 -2.973 9.392 161 1HG2 VAL 18 HG21 VAL 18 58.920 -2.793 12.622 162 2HG2 VAL 18 HG23 VAL 18 60.346 -3.785 12.329 163 3HG2 VAL 18 HG22 VAL 18 60.392 -2.059 11.995 164 H LYS 19 HN LYS 19 56.367 -4.810 10.057 165 HA LYS 19 HA LYS 19 56.766 -5.211 7.242 166 1HB LYS 19 HB2 LYS 19 55.867 -6.865 9.049 167 2HB LYS 19 HB1 LYS 19 54.298 -6.134 8.704 168 1HG LYS 19 HG2 LYS 19 54.777 -6.597 6.237 169 2HG LYS 19 HG1 LYS 19 56.121 -7.599 6.788 170 1HD LYS 19 HD2 LYS 19 53.618 -8.147 8.216 171 2HD LYS 19 HD1 LYS 19 53.510 -8.461 6.484 172 1HE LYS 19 HE2 LYS 19 55.854 -9.630 6.879 173 2HE LYS 19 HE1 LYS 19 55.266 -9.754 8.537 174 1HZ LYS 19 HZ1 LYS 19 53.653 -10.607 6.206 175 2HZ LYS 19 HZ3 LYS 19 54.709 -11.659 7.013 176 3HZ LYS 19 HZ2 LYS 19 53.397 -10.970 7.846 177 H LYS 20 HN LYS 20 54.163 -3.651 9.125 178 HA LYS 20 HA LYS 20 52.564 -2.958 6.832 179 1HB LYS 20 HB2 LYS 20 51.385 -2.856 8.858 180 2HB LYS 20 HB1 LYS 20 52.696 -2.019 9.686 181 1HG LYS 20 HG2 LYS 20 51.934 0.019 9.056 182 2HG LYS 20 HG1 LYS 20 51.655 -0.506 7.395 183 1HD LYS 20 HD2 LYS 20 49.457 -0.263 7.967 184 2HD LYS 20 HD1 LYS 20 49.675 -1.861 8.682 185 1HE LYS 20 HE2 LYS 20 48.741 -0.605 10.444 186 2HE LYS 20 HE1 LYS 20 50.470 -0.569 10.792 187 1HZ LYS 20 HZ3 LYS 20 49.798 1.534 9.034 188 2HZ LYS 20 HZ2 LYS 20 48.783 1.592 10.395 189 3HZ LYS 20 HZ1 LYS 20 50.470 1.621 10.589 190 H CYS 21 HN CYS 21 54.893 -1.125 8.803 191 HA CYS 21 HA CYS 21 54.844 1.338 7.494 192 1HB CYS 21 HB2 CYS 21 57.136 -0.219 8.710 193 2HB CYS 21 HB1 CYS 21 57.328 1.425 8.111 194 H CYS 22 HN CYS 22 56.715 -1.555 6.619 195 HA CYS 22 HA CYS 22 57.828 -0.353 4.221 196 1HB CYS 22 HB2 CYS 22 59.063 -2.146 5.169 197 2HB CYS 22 HB1 CYS 22 57.641 -3.178 5.282 198 H TYR 23 HN TYR 23 54.920 -2.105 5.052 199 HA TYR 23 HA TYR 23 54.108 -2.975 2.491 200 1HB TYR 23 HB2 TYR 23 52.891 -2.604 5.060 201 2HB TYR 23 HB1 TYR 23 51.807 -2.001 3.820 202 HD1 TYR 23 HD2 TYR 23 51.596 -3.508 1.662 203 HD2 TYR 23 HD1 TYR 23 52.897 -4.842 5.522 204 HE1 TYR 23 HE2 TYR 23 51.007 -5.839 1.048 205 HE2 TYR 23 HE1 TYR 23 52.317 -7.140 4.912 206 HH TYR 23 HH TYR 23 50.347 -7.998 2.492 207 H ASP 24 HN ASP 24 53.363 0.091 4.170 208 HA ASP 24 HA ASP 24 52.154 1.309 1.851 209 1HB ASP 24 HB2 ASP 24 53.487 2.858 4.065 210 2HB ASP 24 HB1 ASP 24 52.057 3.288 3.131 211 H GLY 25 HN GLY 25 55.411 1.466 3.296 212 1HA GLY 25 HA2 GLY 25 56.680 3.352 1.743 213 2HA GLY 25 HA1 GLY 25 57.467 1.828 2.169 214 H ALA 26 HN ALA 26 56.258 -0.069 0.737 215 HA ALA 26 HA ALA 26 57.092 0.446 -1.986 216 1HB ALA 26 HB2 ALA 26 56.322 -1.826 -0.418 217 2HB ALA 26 HB1 ALA 26 55.362 -1.819 -1.896 218 3HB ALA 26 HB3 ALA 26 57.122 -1.806 -1.989 219 H CYS 27 HN CYS 27 53.989 0.411 -0.298 220 HA CYS 27 HA CYS 27 52.478 0.785 -2.791 221 1HB CYS 27 HB2 CYS 27 51.565 1.002 0.094 222 2HB CYS 27 HB1 CYS 27 50.519 0.903 -1.322 223 HG CYS 27 HG CYS 27 50.831 -1.554 -1.361 224 H VAL 28 HN VAL 28 54.530 2.765 -1.447 225 HA VAL 28 HA VAL 28 53.743 5.120 -0.507 226 HB VAL 28 HB VAL 28 55.927 5.074 -1.354 227 1HG1 VAL 28 HG13 VAL 28 54.634 4.139 -3.901 228 2HG1 VAL 28 HG12 VAL 28 56.278 4.778 -3.903 229 3HG1 VAL 28 HG11 VAL 28 55.887 3.353 -2.941 230 1HG2 VAL 28 HG22 VAL 28 54.449 7.219 -1.962 231 2HG2 VAL 28 HG21 VAL 28 56.131 7.089 -2.478 232 3HG2 VAL 28 HG23 VAL 28 54.831 6.707 -3.604 233 H ASN 29 HN ASN 29 51.999 6.421 -0.778 234 HA ASN 29 HA ASN 29 50.307 6.139 -3.154 235 1HB ASN 29 HB2 ASN 29 49.990 7.052 -0.442 236 2HB ASN 29 HB1 ASN 29 49.399 8.290 -1.550 237 1HD2 ASN 29 HD22 ASN 29 46.795 6.188 -2.885 238 2HD2 ASN 29 HD21 ASN 29 47.836 7.463 -3.299 239 H ASN 30 HN ASN 30 52.940 7.318 -3.656 240 HA ASN 30 HA ASN 30 52.161 9.473 -5.333 241 1HB ASN 30 HB2 ASN 30 52.718 11.422 -4.175 242 2HB ASN 30 HB1 ASN 30 51.987 10.457 -2.895 243 1HD2 ASN 30 HD22 ASN 30 55.781 11.654 -2.476 244 2HD2 ASN 30 HD21 ASN 30 54.709 12.300 -3.620 245 H ASP 31 HN ASP 31 54.665 10.979 -5.036 246 HA ASP 31 HA ASP 31 56.452 8.966 -6.285 247 1HB ASP 31 HB2 ASP 31 56.603 11.995 -6.195 248 2HB ASP 31 HB1 ASP 31 57.706 10.950 -7.085 249 H GLU 32 HN GLU 32 58.879 10.240 -5.863 250 HA GLU 32 HA GLU 32 60.245 9.194 -3.886 251 1HB GLU 32 HB2 GLU 32 60.251 12.006 -4.843 252 2HB GLU 32 HB1 GLU 32 61.175 11.664 -3.379 253 1HG GLU 32 HG2 GLU 32 61.528 9.684 -5.539 254 2HG GLU 32 HG1 GLU 32 62.132 11.298 -5.917 255 H THR 33 HN THR 33 58.026 11.921 -3.083 256 HA THR 33 HA THR 33 58.626 11.660 -0.237 257 HB THR 33 HB THR 33 56.359 13.160 -0.320 258 HG1 THR 33 HG1 THR 33 57.035 14.437 -2.377 259 1HG2 THR 33 HG22 THR 33 58.720 13.712 0.489 260 2HG2 THR 33 HG21 THR 33 59.042 14.272 -1.153 261 3HG2 THR 33 HG23 THR 33 57.796 15.057 -0.182 262 H CYS 34 HN CYS 34 58.013 9.233 -0.421 263 HA CYS 34 HA CYS 34 55.370 8.331 -0.771 264 1HB CYS 34 HB2 CYS 34 56.167 6.685 1.241 265 2HB CYS 34 HB1 CYS 34 56.610 6.457 -0.443 266 H GLU 35 HN GLU 35 56.477 8.081 2.555 267 HA GLU 35 HA GLU 35 53.913 8.805 3.608 268 1HB GLU 35 HB2 GLU 35 56.615 8.821 4.972 269 2HB GLU 35 HB1 GLU 35 55.070 8.890 5.806 270 1HG GLU 35 HG2 GLU 35 55.663 6.667 3.870 271 2HG GLU 35 HG1 GLU 35 56.196 6.574 5.549 272 H GLN 36 HN GLN 36 56.841 10.678 2.935 273 HA GLN 36 HA GLN 36 56.223 13.076 4.285 274 1HB GLN 36 HB2 GLN 36 58.017 12.288 2.229 275 2HB GLN 36 HB1 GLN 36 57.118 13.669 1.596 276 1HG GLN 36 HG2 GLN 36 57.829 15.088 3.329 277 2HG GLN 36 HG1 GLN 36 58.261 13.739 4.381 278 1HE2 GLN 36 HE22 GLN 36 61.336 15.246 2.702 279 2HE2 GLN 36 HE21 GLN 36 60.039 15.971 3.523 280 H ARG 37 HN ARG 37 54.921 11.600 1.406 281 HA ARG 37 HA ARG 37 53.162 13.863 0.769 282 1HB ARG 37 HB2 ARG 37 53.968 12.340 -1.028 283 2HB ARG 37 HB1 ARG 37 53.133 10.996 -0.248 284 1HG ARG 37 HG2 ARG 37 51.426 13.352 -0.688 285 2HG ARG 37 HG1 ARG 37 52.029 12.623 -2.177 286 1HD ARG 37 HD2 ARG 37 51.302 10.368 -1.114 287 2HD ARG 37 HD1 ARG 37 50.347 11.365 -0.016 288 HE ARG 37 HE ARG 37 49.846 10.999 -2.896 289 1HH1 ARG 37 HH12 ARG 37 49.521 13.138 -0.235 290 2HH1 ARG 37 HH11 ARG 37 47.927 13.657 -0.668 291 1HH2 ARG 37 HH21 ARG 37 47.671 11.496 -3.369 292 2HH2 ARG 37 HH22 ARG 37 46.876 12.724 -2.441 293 H ALA 38 HN ALA 38 53.049 10.734 2.412 294 HA ALA 38 HA ALA 38 50.345 10.330 2.871 295 1HB ALA 38 HB1 ALA 38 52.555 10.170 4.951 296 2HB ALA 38 HB3 ALA 38 50.966 9.425 5.103 297 3HB ALA 38 HB2 ALA 38 52.081 8.872 3.856 298 H ALA 39 HN ALA 39 52.372 12.162 5.133 299 HA ALA 39 HA ALA 39 50.835 14.536 5.153 300 1HB ALA 39 HB3 ALA 39 49.635 12.309 6.635 301 2HB ALA 39 HB2 ALA 39 49.913 13.726 7.649 302 3HB ALA 39 HB1 ALA 39 48.931 13.864 6.190 303 H ARG 40 HN ARG 40 52.389 12.186 7.258 304 HA ARG 40 HA ARG 40 54.686 13.752 7.838 305 1HB ARG 40 HB2 ARG 40 52.306 14.351 9.459 306 2HB ARG 40 HB1 ARG 40 53.727 13.923 10.411 307 1HG ARG 40 HG2 ARG 40 54.840 15.823 9.838 308 2HG ARG 40 HG1 ARG 40 54.266 15.766 8.171 309 1HD ARG 40 HD2 ARG 40 52.005 16.510 9.015 310 2HD ARG 40 HD1 ARG 40 52.749 16.767 10.593 311 HE ARG 40 HE ARG 40 53.644 18.223 8.137 312 1HH1 ARG 40 HH12 ARG 40 52.053 18.423 11.110 313 2HH1 ARG 40 HH11 ARG 40 52.867 19.857 11.638 314 1HH2 ARG 40 HH21 ARG 40 55.082 19.902 8.970 315 2HH2 ARG 40 HH22 ARG 40 54.579 20.697 10.424 316 H ILE 41 HN ILE 41 55.968 11.933 8.017 317 HA ILE 41 HA ILE 41 55.110 9.403 8.842 318 HB ILE 41 HB ILE 41 57.386 9.896 7.858 319 1HG1 ILE 41 HG12 ILE 41 58.453 8.084 9.138 320 2HG1 ILE 41 HG11 ILE 41 57.236 8.267 10.401 321 1HG2 ILE 41 HG22 ILE 41 57.693 11.695 9.823 322 2HG2 ILE 41 HG21 ILE 41 58.412 10.298 10.626 323 3HG2 ILE 41 HG23 ILE 41 59.068 10.868 9.091 324 1HD1 ILE 41 HD13 ILE 41 56.365 7.853 7.553 325 2HD1 ILE 41 HD12 ILE 41 56.856 6.466 8.526 326 3HD1 ILE 41 HD11 ILE 41 55.504 7.472 9.044 327 H SER 42 HN SER 42 53.776 9.349 10.556 328 HA SER 42 HA SER 42 55.122 9.721 13.126 329 1HB SER 42 HB2 SER 42 53.577 11.176 14.057 330 2HB SER 42 HB1 SER 42 53.677 11.790 12.405 331 HG SER 42 HG SER 42 51.503 11.395 13.270 332 H LEU 43 HN LEU 43 54.717 7.347 11.980 333 HA LEU 43 HA LEU 43 52.424 6.324 13.543 334 1HB LEU 43 HB2 LEU 43 53.697 4.876 11.213 335 2HB LEU 43 HB1 LEU 43 52.135 4.550 11.964 336 HG LEU 43 HG LEU 43 52.337 7.303 11.021 337 1HD1 LEU 43 HD12 LEU 43 53.805 5.912 9.376 338 2HD1 LEU 43 HD11 LEU 43 52.273 5.221 8.843 339 3HD1 LEU 43 HD13 LEU 43 52.553 6.956 8.704 340 1HD2 LEU 43 HD21 LEU 43 50.269 6.021 11.686 341 2HD2 LEU 43 HD23 LEU 43 50.160 6.774 10.095 342 3HD2 LEU 43 HD22 LEU 43 50.474 5.044 10.233 343 H GLY 44 HN GLY 44 55.735 6.569 13.415 344 1HA GLY 44 HA2 GLY 44 56.458 5.246 15.664 345 2HA GLY 44 HA1 GLY 44 56.305 3.895 14.541 346 HA PRO 45 HA PRO 45 60.559 5.982 14.047 347 1HB PRO 45 HB2 PRO 45 62.025 4.174 15.443 348 2HB PRO 45 HB1 PRO 45 61.285 5.594 16.193 349 1HG PRO 45 HG2 PRO 45 60.482 2.752 16.363 350 2HG PRO 45 HG1 PRO 45 60.296 4.053 17.547 351 1HD PRO 45 HD2 PRO 45 58.290 3.055 15.889 352 2HD PRO 45 HD1 PRO 45 58.223 4.570 16.788 353 H ARG 46 HN ARG 46 60.376 2.430 14.493 354 HA ARG 46 HA ARG 46 62.058 1.642 12.429 355 1HB ARG 46 HB2 ARG 46 61.117 -0.476 12.621 356 2HB ARG 46 HB1 ARG 46 60.600 0.248 14.140 357 1HG ARG 46 HG2 ARG 46 58.911 0.217 11.621 358 2HG ARG 46 HG1 ARG 46 58.758 -0.955 12.927 359 1HD ARG 46 HD2 ARG 46 58.742 1.724 14.002 360 2HD ARG 46 HD1 ARG 46 57.512 1.570 12.751 361 HE ARG 46 HE ARG 46 57.134 -0.697 14.266 362 1HH1 ARG 46 HH21 ARG 46 58.216 0.581 16.653 363 2HH1 ARG 46 HH22 ARG 46 56.864 1.448 17.302 364 1HH2 ARG 46 HH12 ARG 46 55.035 1.323 14.357 365 2HH2 ARG 46 HH11 ARG 46 55.060 1.864 16.002 366 H CYS 47 HN CYS 47 58.891 3.040 12.203 367 HA CYS 47 HA CYS 47 58.172 2.310 9.528 368 1HB CYS 47 HB2 CYS 47 57.167 3.965 11.583 369 2HB CYS 47 HB1 CYS 47 57.435 5.031 10.196 370 H ILE 48 HN ILE 48 59.586 5.348 10.715 371 HA ILE 48 HA ILE 48 59.969 6.767 8.459 372 HB ILE 48 HB ILE 48 61.734 6.337 10.837 373 1HG1 ILE 48 HG12 ILE 48 61.265 8.767 11.099 374 2HG1 ILE 48 HG11 ILE 48 60.349 8.735 9.593 375 1HG2 ILE 48 HG21 ILE 48 62.481 7.811 8.315 376 2HG2 ILE 48 HG23 ILE 48 63.170 8.230 9.885 377 3HG2 ILE 48 HG22 ILE 48 63.431 6.622 9.206 378 1HD1 ILE 48 HD13 ILE 48 58.847 7.008 10.600 379 2HD1 ILE 48 HD12 ILE 48 59.714 7.191 12.123 380 3HD1 ILE 48 HD11 ILE 48 58.800 8.545 11.458 381 H LYS 49 HN LYS 49 62.560 4.479 9.454 382 HA LYS 49 HA LYS 49 63.658 4.526 6.753 383 1HB LYS 49 HB2 LYS 49 64.919 4.268 9.013 384 2HB LYS 49 HB1 LYS 49 64.474 2.568 8.881 385 1HG LYS 49 HG2 LYS 49 66.100 2.213 7.369 386 2HG LYS 49 HG1 LYS 49 65.470 3.503 6.343 387 1HD LYS 49 HD2 LYS 49 67.491 4.467 6.827 388 2HD LYS 49 HD1 LYS 49 66.629 4.996 8.272 389 1HE LYS 49 HE2 LYS 49 67.435 2.976 9.471 390 2HE LYS 49 HE1 LYS 49 68.346 2.507 8.034 391 1HZ LYS 49 HZ3 LYS 49 68.696 5.060 9.509 392 2HZ LYS 49 HZ2 LYS 49 69.705 3.701 9.666 393 3HZ LYS 49 HZ1 LYS 49 69.614 4.530 8.185 394 H ALA 50 HN ALA 50 61.395 2.472 8.434 395 HA ALA 50 HA ALA 50 61.883 0.149 6.792 396 1HB ALA 50 HB2 ALA 50 59.410 0.939 8.366 397 2HB ALA 50 HB1 ALA 50 59.719 -0.656 7.679 398 3HB ALA 50 HB3 ALA 50 60.741 -0.042 8.977 399 H PHE 51 HN PHE 51 59.122 2.358 6.940 400 HA PHE 51 HA PHE 51 58.127 1.665 4.408 401 1HB PHE 51 HB2 PHE 51 56.522 3.256 4.776 402 2HB PHE 51 HB1 PHE 51 57.112 3.116 6.423 403 HD1 PHE 51 HD2 PHE 51 57.614 5.085 3.258 404 HD2 PHE 51 HD1 PHE 51 57.969 5.000 7.516 405 HE1 PHE 51 HE2 PHE 51 58.244 7.488 3.276 406 HE2 PHE 51 HE1 PHE 51 58.586 7.381 7.524 407 HZ PHE 51 HZ PHE 51 58.727 8.628 5.416 408 H THR 52 HN THR 52 60.167 4.419 5.423 409 HA THR 52 HA THR 52 60.341 5.626 2.892 410 HB THR 52 HB THR 52 62.469 5.458 5.042 411 HG1 THR 52 HG1 THR 52 61.535 7.779 5.091 412 1HG2 THR 52 HG21 THR 52 62.636 6.432 2.372 413 2HG2 THR 52 HG23 THR 52 62.609 7.829 3.449 414 3HG2 THR 52 HG22 THR 52 63.833 6.578 3.659 415 H GLU 53 HN GLU 53 62.260 3.018 4.278 416 HA GLU 53 HA GLU 53 64.121 2.705 2.150 417 1HB GLU 53 HB2 GLU 53 64.509 1.789 4.377 418 2HB GLU 53 HB1 GLU 53 63.121 0.723 4.172 419 1HG GLU 53 HG2 GLU 53 65.382 -0.348 3.710 420 2HG GLU 53 HG1 GLU 53 64.193 -0.498 2.414 421 H CYS 54 HN CYS 54 60.954 1.234 2.759 422 HA CYS 54 HA CYS 54 61.212 -0.573 0.484 423 1HB CYS 54 HB2 CYS 54 59.031 0.097 2.438 424 2HB CYS 54 HB1 CYS 54 58.661 -0.831 0.982 425 H CYS 55 HN CYS 55 60.028 2.634 1.056 426 HA CYS 55 HA CYS 55 58.537 2.721 -1.475 427 1HB CYS 55 HB2 CYS 55 57.541 4.517 -0.527 428 2HB CYS 55 HB1 CYS 55 58.484 4.197 0.920 429 H VAL 56 HN VAL 56 61.726 3.407 -0.267 430 HA VAL 56 HA VAL 56 62.529 4.967 -2.619 431 HB VAL 56 HB VAL 56 64.234 3.606 -0.499 432 1HG1 VAL 56 HG13 VAL 56 64.786 5.318 -2.859 433 2HG1 VAL 56 HG12 VAL 56 65.692 5.698 -1.394 434 3HG1 VAL 56 HG11 VAL 56 65.791 4.085 -2.100 435 1HG2 VAL 56 HG21 VAL 56 62.457 5.691 -0.109 436 2HG2 VAL 56 HG23 VAL 56 63.871 5.358 0.892 437 3HG2 VAL 56 HG22 VAL 56 63.976 6.532 -0.421 438 H VAL 57 HN VAL 57 63.045 1.671 -1.376 439 HA VAL 57 HA VAL 57 64.583 0.805 -3.638 440 HB VAL 57 HB VAL 57 63.993 -1.462 -2.885 441 1HG1 VAL 57 HG11 VAL 57 64.661 0.571 -0.754 442 2HG1 VAL 57 HG13 VAL 57 64.630 -1.156 -0.401 443 3HG1 VAL 57 HG12 VAL 57 65.757 -0.521 -1.601 444 1HG2 VAL 57 HG23 VAL 57 62.030 0.010 -1.106 445 2HG2 VAL 57 HG22 VAL 57 61.643 -1.137 -2.388 446 3HG2 VAL 57 HG21 VAL 57 62.443 -1.695 -0.920 447 H ALA 58 HN ALA 58 61.191 0.816 -2.718 448 HA ALA 58 HA ALA 58 60.156 -0.358 -5.110 449 1HB ALA 58 HB2 ALA 58 58.948 1.633 -3.162 450 2HB ALA 58 HB1 ALA 58 58.036 0.803 -4.424 451 3HB ALA 58 HB3 ALA 58 58.759 -0.120 -3.106 452 H SER 59 HN SER 59 61.322 2.747 -4.168 453 HA SER 59 HA SER 59 60.171 4.380 -6.183 454 1HB SER 59 HB2 SER 59 61.522 5.024 -4.096 455 2HB SER 59 HB1 SER 59 62.939 4.818 -5.120 456 HG SER 59 HG SER 59 61.780 6.257 -6.622 457 H GLN 60 HN GLN 60 63.476 3.051 -6.063 458 HA GLN 60 HA GLN 60 64.138 3.633 -8.765 459 1HB GLN 60 HB2 GLN 60 65.296 2.235 -6.530 460 2HB GLN 60 HB1 GLN 60 65.495 1.280 -8.000 461 1HG GLN 60 HG2 GLN 60 66.773 2.914 -9.046 462 2HG GLN 60 HG1 GLN 60 66.021 4.221 -8.124 463 1HE2 GLN 60 HE22 GLN 60 68.179 3.768 -5.273 464 2HE2 GLN 60 HE21 GLN 60 66.609 4.247 -5.704 465 H LEU 61 HN LEU 61 62.419 0.988 -7.272 466 HA LEU 61 HA LEU 61 62.529 -0.795 -9.532 467 1HB LEU 61 HB2 LEU 61 60.768 -0.555 -7.096 468 2HB LEU 61 HB1 LEU 61 60.494 -1.802 -8.304 469 HG LEU 61 HG LEU 61 62.897 -1.402 -6.559 470 1HD1 LEU 61 HD13 LEU 61 60.971 -3.690 -7.033 471 2HD1 LEU 61 HD12 LEU 61 62.426 -3.822 -6.046 472 3HD1 LEU 61 HD11 LEU 61 61.130 -2.727 -5.564 473 1HD2 LEU 61 HD21 LEU 61 62.682 -2.636 -9.238 474 2HD2 LEU 61 HD23 LEU 61 64.106 -2.026 -8.395 475 3HD2 LEU 61 HD22 LEU 61 63.479 -3.632 -8.021 476 H ARG 62 HN ARG 62 60.493 1.876 -8.526 477 HA ARG 62 HA ARG 62 58.721 1.393 -10.848 478 1HB ARG 62 HB2 ARG 62 57.155 2.920 -9.828 479 2HB ARG 62 HB1 ARG 62 57.703 1.796 -8.584 480 1HG ARG 62 HG2 ARG 62 59.179 3.413 -7.637 481 2HG ARG 62 HG1 ARG 62 59.015 4.483 -9.026 482 1HD ARG 62 HD2 ARG 62 57.656 5.385 -7.242 483 2HD ARG 62 HD1 ARG 62 56.568 4.716 -8.458 484 HE ARG 62 HE ARG 62 57.064 3.577 -5.765 485 1HH1 ARG 62 HH12 ARG 62 56.829 1.142 -7.099 486 2HH1 ARG 62 HH11 ARG 62 55.143 0.933 -7.435 487 1HH2 ARG 62 HH21 ARG 62 54.358 4.274 -6.951 488 2HH2 ARG 62 HH22 ARG 62 53.744 2.703 -7.346 489 H ALA 63 HN ALA 63 61.522 3.082 -10.223 490 HA ALA 63 HA ALA 63 60.738 5.492 -11.748 491 1HB ALA 63 HB1 ALA 63 62.222 5.669 -9.745 492 2HB ALA 63 HB3 ALA 63 63.438 4.723 -10.603 493 3HB ALA 63 HB2 ALA 63 62.968 6.312 -11.208 494 H ASN 64 HN ASN 64 62.798 2.619 -12.097 495 HA ASN 64 HA ASN 64 63.432 3.481 -14.875 496 1HB ASN 64 HB2 ASN 64 65.201 2.630 -13.156 497 2HB ASN 64 HB1 ASN 64 64.565 1.031 -13.543 498 1HD2 ASN 64 HD22 ASN 64 67.292 1.596 -15.973 499 2HD2 ASN 64 HD21 ASN 64 67.148 1.319 -14.304 500 H ILE 65 HN ILE 65 60.788 2.337 -13.926 501 HA ILE 65 HA ILE 65 60.521 0.394 -16.117 502 HB ILE 65 HB ILE 65 59.481 -0.532 -13.464 503 1HG1 ILE 65 HG12 ILE 65 62.300 -1.059 -14.453 504 2HG1 ILE 65 HG11 ILE 65 61.905 0.054 -13.142 505 1HG2 ILE 65 HG22 ILE 65 60.098 -1.631 -16.158 506 2HG2 ILE 65 HG21 ILE 65 60.379 -2.707 -14.790 507 3HG2 ILE 65 HG23 ILE 65 58.776 -2.023 -15.058 508 1HD1 ILE 65 HD11 ILE 65 60.661 -1.948 -12.079 509 2HD1 ILE 65 HD13 ILE 65 61.569 -2.942 -13.219 510 3HD1 ILE 65 HD12 ILE 65 62.423 -1.961 -12.028 511 H SER 66 HN SER 66 58.047 -0.481 -15.890 512 HA SER 66 HA SER 66 56.104 1.234 -14.693 513 1HB SER 66 HB2 SER 66 55.524 2.744 -16.363 514 2HB SER 66 HB1 SER 66 57.269 2.675 -16.583 515 HG SER 66 HG SER 66 56.653 2.187 -18.558 516 H HIS 67 HN HIS 67 56.634 -1.581 -15.276 517 HA HIS 67 HA HIS 67 54.007 -2.239 -16.490 518 1HB HIS 67 HB2 HIS 67 56.327 -2.453 -17.972 519 2HB HIS 67 HB1 HIS 67 56.141 -4.080 -17.324 520 HD1 HIS 67 HD1 HIS 67 55.494 -4.891 -19.767 521 HD2 HIS 67 HD2 HIS 67 52.827 -2.179 -18.062 522 HE1 HIS 67 HE1 HIS 67 53.388 -4.978 -21.173 523 H LYS 68 HN LYS 68 54.891 -5.137 -16.483 524 HA LYS 68 HA LYS 68 53.909 -6.015 -14.063 525 1HB LYS 68 HB2 LYS 68 56.289 -7.234 -15.497 526 2HB LYS 68 HB1 LYS 68 55.236 -8.065 -14.352 527 1HG LYS 68 HG2 LYS 68 53.648 -6.796 -16.405 528 2HG LYS 68 HG1 LYS 68 54.870 -7.833 -17.143 529 1HD LYS 68 HD2 LYS 68 53.089 -8.740 -14.868 530 2HD LYS 68 HD1 LYS 68 52.692 -8.999 -16.567 531 1HE LYS 68 HE2 LYS 68 54.969 -10.114 -16.804 532 2HE LYS 68 HE1 LYS 68 55.077 -10.071 -15.043 533 1HZ LYS 68 HZ3 LYS 68 52.845 -11.314 -16.555 534 2HZ LYS 68 HZ2 LYS 68 54.169 -12.171 -15.923 535 3HZ LYS 68 HZ1 LYS 68 53.094 -11.371 -14.878 536 H ASP 69 HN ASP 69 57.300 -5.149 -14.689 537 HA ASP 69 HA ASP 69 58.300 -5.663 -12.099 538 1HB ASP 69 HB2 ASP 69 59.266 -4.525 -14.542 539 2HB ASP 69 HB1 ASP 69 59.659 -3.418 -13.226 540 H MET 70 HN MET 70 57.449 -2.490 -13.560 541 HA MET 70 HA MET 70 57.430 -1.167 -10.979 542 1HB MET 70 HB2 MET 70 57.888 0.219 -12.864 543 2HB MET 70 HB1 MET 70 56.472 -0.370 -13.734 544 1HG MET 70 HG2 MET 70 55.018 0.965 -12.550 545 2HG MET 70 HG1 MET 70 55.998 0.913 -11.086 546 1HE MET 70 HE1 MET 70 54.418 2.833 -13.083 547 2HE MET 70 HE3 MET 70 55.280 4.360 -13.319 548 3HE MET 70 HE2 MET 70 55.406 3.079 -14.520 549 H GLN 71 HN GLN 71 54.700 -1.530 -13.275 550 HA GLN 71 HA GLN 71 52.576 -0.960 -11.648 551 1HB GLN 71 HB2 GLN 71 52.131 -1.639 -13.901 552 2HB GLN 71 HB1 GLN 71 52.834 -3.234 -13.629 553 1HG GLN 71 HG2 GLN 71 50.904 -4.040 -12.776 554 2HG GLN 71 HG1 GLN 71 50.701 -2.637 -11.728 555 1HE2 GLN 71 HE22 GLN 71 48.643 -0.866 -14.060 556 2HE2 GLN 71 HE21 GLN 71 49.674 -0.679 -12.724 557 H LEU 72 HN LEU 72 54.453 -3.992 -11.558 558 HA LEU 72 HA LEU 72 52.908 -4.759 -9.107 559 1HB LEU 72 HB2 LEU 72 53.845 -6.262 -11.398 560 2HB LEU 72 HB1 LEU 72 54.511 -6.932 -9.907 561 HG LEU 72 HG LEU 72 52.218 -6.984 -8.958 562 1HD1 LEU 72 HD11 LEU 72 51.748 -5.227 -11.114 563 2HD1 LEU 72 HD13 LEU 72 50.814 -6.682 -11.459 564 3HD1 LEU 72 HD12 LEU 72 50.568 -5.815 -9.943 565 1HD2 LEU 72 HD23 LEU 72 53.236 -8.571 -11.146 566 2HD2 LEU 72 HD22 LEU 72 52.230 -9.085 -9.792 567 3HD2 LEU 72 HD21 LEU 72 51.480 -8.464 -11.262 568 H GLY 73 HN GLY 73 56.133 -5.676 -10.239 569 1HA GLY 73 HA2 GLY 73 57.473 -5.914 -7.873 570 2HA GLY 73 HA1 GLY 73 58.251 -5.252 -9.312 571 H ARG 74 HN ARG 74 56.407 -2.946 -9.388 572 HA ARG 74 HA ARG 74 56.466 -0.711 -8.636 573 1HB ARG 74 HB2 ARG 74 56.657 -2.091 -5.940 574 2HB ARG 74 HB1 ARG 74 56.180 -0.417 -6.210 575 1HG ARG 74 HG2 ARG 74 54.560 -2.003 -7.911 576 2HG ARG 74 HG1 ARG 74 54.554 -2.786 -6.329 577 1HD ARG 74 HD2 ARG 74 54.228 -0.284 -5.484 578 2HD ARG 74 HD1 ARG 74 53.567 -0.071 -7.106 579 HE ARG 74 HE ARG 74 52.311 -2.357 -6.154 580 1HH1 ARG 74 HH12 ARG 74 51.192 0.533 -6.615 581 2HH1 ARG 74 HH11 ARG 74 50.361 0.763 -5.113 582 1HH2 ARG 74 HH21 ARG 74 51.902 -1.918 -3.545 583 2HH2 ARG 74 HH22 ARG 74 50.763 -0.624 -3.375 No H/Q in entry = 583 Start of MODEL 11 1 H MET 1 HN MET 1 53.953 -10.215 -9.590 2 HA MET 1 HA MET 1 55.110 -9.934 -7.560 3 1HB MET 1 HB2 MET 1 56.961 -8.516 -9.465 4 2HB MET 1 HB1 MET 1 57.277 -8.611 -7.731 5 1HG MET 1 HG2 MET 1 58.236 -10.616 -8.132 6 2HG MET 1 HG1 MET 1 56.609 -11.225 -8.432 7 1HE MET 1 HE1 MET 1 59.562 -11.801 -9.262 8 2HE MET 1 HE3 MET 1 58.643 -12.987 -10.198 9 3HE MET 1 HE2 MET 1 59.804 -11.934 -11.002 10 H LEU 2 HN LEU 2 53.024 -8.488 -7.302 11 HA LEU 2 HA LEU 2 53.456 -5.618 -7.276 12 1HB LEU 2 HB2 LEU 2 51.193 -6.796 -7.388 13 2HB LEU 2 HB1 LEU 2 51.398 -7.159 -5.676 14 HG LEU 2 HG LEU 2 51.617 -4.749 -5.188 15 1HD1 LEU 2 HD13 LEU 2 51.159 -4.485 -8.174 16 2HD1 LEU 2 HD12 LEU 2 51.039 -3.141 -7.038 17 3HD1 LEU 2 HD11 LEU 2 52.581 -3.966 -7.268 18 1HD2 LEU 2 HD22 LEU 2 49.292 -6.135 -5.974 19 2HD2 LEU 2 HD21 LEU 2 49.373 -4.684 -4.974 20 3HD2 LEU 2 HD23 LEU 2 49.165 -4.542 -6.719 21 H GLN 3 HN GLN 3 55.008 -7.867 -5.558 22 HA GLN 3 HA GLN 3 55.963 -6.138 -3.534 23 1HB GLN 3 HB2 GLN 3 54.813 -6.906 -1.552 24 2HB GLN 3 HB1 GLN 3 53.583 -6.410 -2.713 25 1HG GLN 3 HG2 GLN 3 53.980 -9.057 -3.376 26 2HG GLN 3 HG1 GLN 3 54.142 -9.075 -1.620 27 1HE2 GLN 3 HE22 GLN 3 50.484 -8.712 -3.227 28 2HE2 GLN 3 HE21 GLN 3 51.856 -9.126 -4.136 29 H LYS 4 HN LYS 4 57.474 -7.680 -5.009 30 HA LYS 4 HA LYS 4 57.863 -10.277 -3.620 31 1HB LYS 4 HB2 LYS 4 57.877 -9.716 -6.276 32 2HB LYS 4 HB1 LYS 4 59.597 -9.565 -5.914 33 1HG LYS 4 HG2 LYS 4 57.950 -11.941 -5.023 34 2HG LYS 4 HG1 LYS 4 58.806 -11.902 -6.565 35 1HD LYS 4 HD2 LYS 4 60.519 -12.773 -5.329 36 2HD LYS 4 HD1 LYS 4 60.786 -11.083 -4.897 37 1HE LYS 4 HE2 LYS 4 60.728 -12.301 -2.834 38 2HE LYS 4 HE1 LYS 4 59.187 -11.450 -2.950 39 1HZ LYS 4 HZ1 LYS 4 59.111 -14.011 -4.214 40 2HZ LYS 4 HZ3 LYS 4 59.526 -14.133 -2.574 41 3HZ LYS 4 HZ2 LYS 4 58.083 -13.359 -3.029 42 H LYS 5 HN LYS 5 59.950 -7.601 -4.825 43 HA LYS 5 HA LYS 5 62.083 -8.422 -3.029 44 1HB LYS 5 HB2 LYS 5 63.372 -7.096 -4.355 45 2HB LYS 5 HB1 LYS 5 61.950 -6.995 -5.387 46 1HG LYS 5 HG2 LYS 5 61.265 -4.927 -4.405 47 2HG LYS 5 HG1 LYS 5 62.454 -5.072 -3.120 48 1HD LYS 5 HD2 LYS 5 63.061 -4.715 -6.066 49 2HD LYS 5 HD1 LYS 5 63.275 -3.500 -4.806 50 1HE LYS 5 HE2 LYS 5 64.713 -5.468 -3.697 51 2HE LYS 5 HE1 LYS 5 64.902 -5.929 -5.389 52 1HZ LYS 5 HZ3 LYS 5 65.347 -3.151 -4.479 53 2HZ LYS 5 HZ2 LYS 5 66.585 -4.313 -4.422 54 3HZ LYS 5 HZ1 LYS 5 65.878 -3.893 -5.909 55 H ILE 6 HN ILE 6 59.294 -6.490 -2.808 56 HA ILE 6 HA ILE 6 60.367 -4.924 -0.532 57 HB ILE 6 HB ILE 6 57.581 -4.761 -1.667 58 1HG1 ILE 6 HG12 ILE 6 59.539 -4.623 -3.404 59 2HG1 ILE 6 HG11 ILE 6 58.313 -3.346 -3.402 60 1HG2 ILE 6 HG21 ILE 6 59.300 -3.223 0.178 61 2HG2 ILE 6 HG23 ILE 6 58.427 -2.244 -0.998 62 3HG2 ILE 6 HG22 ILE 6 57.543 -3.314 0.092 63 1HD1 ILE 6 HD12 ILE 6 60.527 -2.822 -1.549 64 2HD1 ILE 6 HD11 ILE 6 61.040 -2.937 -3.232 65 3HD1 ILE 6 HD13 ILE 6 59.806 -1.767 -2.764 66 H GLU 7 HN GLU 7 58.158 -7.550 -1.283 67 HA GLU 7 HA GLU 7 56.977 -7.593 1.393 68 1HB GLU 7 HB2 GLU 7 55.757 -8.534 -0.551 69 2HB GLU 7 HB1 GLU 7 57.038 -9.728 -0.768 70 1HG GLU 7 HG2 GLU 7 55.021 -10.564 0.512 71 2HG GLU 7 HG1 GLU 7 56.559 -10.747 1.356 72 H GLU 8 HN GLU 8 59.771 -8.819 -0.228 73 HA GLU 8 HA GLU 8 60.412 -10.881 1.719 74 1HB GLU 8 HB2 GLU 8 62.482 -11.096 0.510 75 2HB GLU 8 HB1 GLU 8 61.222 -10.806 -0.690 76 1HG GLU 8 HG2 GLU 8 61.802 -8.400 -0.733 77 2HG GLU 8 HG1 GLU 8 63.063 -8.698 0.479 78 H ILE 9 HN ILE 9 61.519 -7.541 1.095 79 HA ILE 9 HA ILE 9 63.356 -7.517 3.320 80 HB ILE 9 HB ILE 9 63.257 -5.946 1.238 81 1HG1 ILE 9 HG12 ILE 9 64.948 -5.678 2.940 82 2HG1 ILE 9 HG11 ILE 9 64.268 -4.085 2.613 83 1HG2 ILE 9 HG21 ILE 9 60.929 -5.197 1.617 84 2HG2 ILE 9 HG23 ILE 9 61.418 -4.480 3.152 85 3HG2 ILE 9 HG22 ILE 9 62.057 -3.841 1.638 86 1HD1 ILE 9 HD11 ILE 9 62.619 -4.689 4.563 87 2HD1 ILE 9 HD13 ILE 9 63.864 -5.858 5.005 88 3HD1 ILE 9 HD12 ILE 9 64.248 -4.137 4.948 89 H ALA 10 HN ALA 10 59.995 -6.581 2.852 90 HA ALA 10 HA ALA 10 59.583 -5.359 5.405 91 1HB ALA 10 HB2 ALA 10 57.959 -6.281 3.171 92 2HB ALA 10 HB1 ALA 10 57.187 -6.625 4.719 93 3HB ALA 10 HB3 ALA 10 57.647 -4.972 4.311 94 H ALA 11 HN ALA 11 59.080 -8.681 4.237 95 HA ALA 11 HA ALA 11 58.246 -9.738 6.771 96 1HB ALA 11 HB3 ALA 11 57.866 -10.885 4.594 97 2HB ALA 11 HB2 ALA 11 59.600 -11.182 4.476 98 3HB ALA 11 HB1 ALA 11 58.663 -11.928 5.771 99 H LYS 12 HN LYS 12 61.413 -9.107 5.337 100 HA LYS 12 HA LYS 12 62.713 -10.683 7.467 101 1HB LYS 12 HB2 LYS 12 64.724 -10.414 6.321 102 2HB LYS 12 HB1 LYS 12 63.556 -10.366 5.004 103 1HG LYS 12 HG2 LYS 12 64.467 -8.392 4.426 104 2HG LYS 12 HG1 LYS 12 63.714 -7.714 5.869 105 1HD LYS 12 HD2 LYS 12 65.957 -7.156 6.205 106 2HD LYS 12 HD1 LYS 12 65.846 -8.685 7.076 107 1HE LYS 12 HE2 LYS 12 66.378 -9.347 4.376 108 2HE LYS 12 HE1 LYS 12 67.477 -8.032 4.793 109 1HZ LYS 12 HZ3 LYS 12 67.095 -10.513 6.379 110 2HZ LYS 12 HZ2 LYS 12 68.404 -10.206 5.340 111 3HZ LYS 12 HZ1 LYS 12 68.182 -9.261 6.734 112 H TYR 13 HN TYR 13 61.118 -8.672 8.510 113 HA TYR 13 HA TYR 13 63.124 -6.689 9.492 114 1HB TYR 13 HB2 TYR 13 60.155 -6.563 9.095 115 2HB TYR 13 HB1 TYR 13 60.899 -5.580 10.354 116 HD1 TYR 13 HD1 TYR 13 63.479 -4.846 9.263 117 HD2 TYR 13 HD2 TYR 13 59.678 -5.134 7.284 118 HE1 TYR 13 HE1 TYR 13 64.242 -3.212 7.562 119 HE2 TYR 13 HE2 TYR 13 60.443 -3.502 5.582 120 HH TYR 13 HH TYR 13 63.114 -1.553 5.975 121 H LYS 14 HN LYS 14 63.516 -6.624 11.687 122 HA LYS 14 HA LYS 14 62.505 -8.887 13.271 123 1HB LYS 14 HB2 LYS 14 64.652 -6.828 13.575 124 2HB LYS 14 HB1 LYS 14 63.999 -7.555 15.044 125 1HG LYS 14 HG2 LYS 14 64.801 -9.658 14.529 126 2HG LYS 14 HG1 LYS 14 64.708 -9.381 12.790 127 1HD LYS 14 HD2 LYS 14 66.563 -7.493 13.710 128 2HD LYS 14 HD1 LYS 14 66.952 -8.971 14.591 129 1HE LYS 14 HE2 LYS 14 66.532 -8.884 11.593 130 2HE LYS 14 HE1 LYS 14 68.116 -8.747 12.356 131 1HZ LYS 14 HZ1 LYS 14 66.761 -10.931 13.475 132 2HZ LYS 14 HZ3 LYS 14 66.677 -11.069 11.787 133 3HZ LYS 14 HZ2 LYS 14 68.187 -10.933 12.553 134 H HIS 15 HN HIS 15 60.433 -7.146 12.577 135 HA HIS 15 HA HIS 15 59.354 -6.488 15.164 136 1HB HIS 15 HB2 HIS 15 60.947 -4.478 13.889 137 2HB HIS 15 HB1 HIS 15 59.264 -3.949 13.870 138 HD1 HIS 15 HD1 HIS 15 61.989 -3.382 15.884 139 HD2 HIS 15 HD2 HIS 15 58.212 -4.911 16.766 140 HE1 HIS 15 HE1 HIS 15 61.638 -3.038 18.368 141 H SER 16 HN SER 16 57.388 -7.356 14.667 142 HA SER 16 HA SER 16 56.089 -7.633 12.262 143 1HB SER 16 HB2 SER 16 55.188 -8.446 14.411 144 2HB SER 16 HB1 SER 16 54.757 -6.797 14.852 145 HG SER 16 HG SER 16 53.595 -6.890 12.702 146 H VAL 17 HN VAL 17 55.988 -4.616 14.223 147 HA VAL 17 HA VAL 17 54.134 -3.229 12.586 148 HB VAL 17 HB VAL 17 56.429 -2.129 14.234 149 1HG1 VAL 17 HG11 VAL 17 54.511 -0.865 12.482 150 2HG1 VAL 17 HG13 VAL 17 54.223 -0.362 14.148 151 3HG1 VAL 17 HG12 VAL 17 55.810 -0.123 13.416 152 1HG2 VAL 17 HG22 VAL 17 53.997 -3.460 14.949 153 2HG2 VAL 17 HG21 VAL 17 55.190 -2.724 16.018 154 3HG2 VAL 17 HG23 VAL 17 53.845 -1.762 15.401 155 H VAL 18 HN VAL 18 57.678 -3.486 12.334 156 HA VAL 18 HA VAL 18 58.065 -1.541 10.315 157 HB VAL 18 HB VAL 18 59.543 -4.178 10.442 158 1HG1 VAL 18 HG13 VAL 18 59.881 -2.344 8.613 159 2HG1 VAL 18 HG12 VAL 18 60.683 -1.454 9.906 160 3HG1 VAL 18 HG11 VAL 18 61.300 -3.025 9.407 161 1HG2 VAL 18 HG22 VAL 18 59.189 -2.560 12.628 162 2HG2 VAL 18 HG21 VAL 18 60.607 -3.570 12.356 163 3HG2 VAL 18 HG23 VAL 18 60.640 -1.869 11.910 164 H LYS 19 HN LYS 19 56.535 -4.639 10.205 165 HA LYS 19 HA LYS 19 56.846 -5.229 7.422 166 1HB LYS 19 HB2 LYS 19 55.512 -6.382 9.604 167 2HB LYS 19 HB1 LYS 19 54.236 -5.998 8.448 168 1HG LYS 19 HG2 LYS 19 55.238 -7.304 6.742 169 2HG LYS 19 HG1 LYS 19 56.780 -7.383 7.595 170 1HD LYS 19 HD2 LYS 19 55.755 -9.512 7.933 171 2HD LYS 19 HD1 LYS 19 55.528 -8.632 9.445 172 1HE LYS 19 HE2 LYS 19 53.262 -8.384 9.126 173 2HE LYS 19 HE1 LYS 19 53.410 -8.331 7.369 174 1HZ LYS 19 HZ1 LYS 19 54.207 -10.805 7.807 175 2HZ LYS 19 HZ3 LYS 19 53.185 -10.628 9.150 176 3HZ LYS 19 HZ2 LYS 19 52.571 -10.404 7.581 177 H LYS 20 HN LYS 20 54.086 -3.676 9.117 178 HA LYS 20 HA LYS 20 52.685 -2.935 6.756 179 1HB LYS 20 HB2 LYS 20 51.494 -2.785 8.809 180 2HB LYS 20 HB1 LYS 20 52.736 -1.771 9.541 181 1HG LYS 20 HG2 LYS 20 51.720 0.090 8.783 182 2HG LYS 20 HG1 LYS 20 51.782 -0.512 7.125 183 1HD LYS 20 HD2 LYS 20 49.469 -0.238 7.576 184 2HD LYS 20 HD1 LYS 20 49.757 -1.967 7.764 185 1HE LYS 20 HE2 LYS 20 48.798 -1.743 9.802 186 2HE LYS 20 HE1 LYS 20 50.313 -0.980 10.287 187 1HZ LYS 20 HZ2 LYS 20 48.653 0.866 8.920 188 2HZ LYS 20 HZ1 LYS 20 47.813 0.179 10.229 189 3HZ LYS 20 HZ3 LYS 20 49.296 0.961 10.490 190 H CYS 21 HN CYS 21 55.067 -1.134 8.698 191 HA CYS 21 HA CYS 21 55.056 1.315 7.355 192 1HB CYS 21 HB2 CYS 21 57.375 -0.247 8.522 193 2HB CYS 21 HB1 CYS 21 57.512 1.420 7.966 194 H CYS 22 HN CYS 22 57.009 -1.561 6.521 195 HA CYS 22 HA CYS 22 58.043 -0.376 4.098 196 1HB CYS 22 HB2 CYS 22 59.329 -2.157 4.983 197 2HB CYS 22 HB1 CYS 22 57.919 -3.193 5.184 198 H TYR 23 HN TYR 23 55.120 -2.043 4.980 199 HA TYR 23 HA TYR 23 54.304 -2.957 2.421 200 1HB TYR 23 HB2 TYR 23 53.086 -2.534 5.005 201 2HB TYR 23 HB1 TYR 23 51.985 -2.074 3.721 202 HD1 TYR 23 HD2 TYR 23 51.761 -3.700 1.708 203 HD2 TYR 23 HD1 TYR 23 53.351 -4.755 5.547 204 HE1 TYR 23 HE2 TYR 23 51.323 -6.095 1.225 205 HE2 TYR 23 HE1 TYR 23 52.919 -7.113 5.066 206 HH TYR 23 HH TYR 23 51.723 -8.206 1.915 207 H ASP 24 HN ASP 24 53.493 0.099 4.099 208 HA ASP 24 HA ASP 24 52.249 1.301 1.806 209 1HB ASP 24 HB2 ASP 24 53.646 2.928 3.913 210 2HB ASP 24 HB1 ASP 24 52.121 3.253 3.095 211 H GLY 25 HN GLY 25 55.540 1.545 3.177 212 1HA GLY 25 HA2 GLY 25 56.753 3.378 1.520 213 2HA GLY 25 HA1 GLY 25 57.568 1.881 1.999 214 H ALA 26 HN ALA 26 56.388 -0.094 0.674 215 HA ALA 26 HA ALA 26 57.179 0.238 -2.060 216 1HB ALA 26 HB2 ALA 26 56.448 -1.904 -0.408 217 2HB ALA 26 HB1 ALA 26 55.230 -1.889 -1.681 218 3HB ALA 26 HB3 ALA 26 56.939 -2.007 -2.098 219 H CYS 27 HN CYS 27 54.025 0.401 -0.429 220 HA CYS 27 HA CYS 27 52.622 0.831 -2.981 221 1HB CYS 27 HB2 CYS 27 51.763 0.738 -0.089 222 2HB CYS 27 HB1 CYS 27 50.661 1.274 -1.357 223 HG CYS 27 HG CYS 27 50.235 -1.170 -1.600 224 H VAL 28 HN VAL 28 54.684 2.734 -1.585 225 HA VAL 28 HA VAL 28 53.904 5.118 -0.658 226 HB VAL 28 HB VAL 28 56.148 4.953 -1.407 227 1HG1 VAL 28 HG12 VAL 28 54.874 3.838 -3.776 228 2HG1 VAL 28 HG11 VAL 28 56.134 4.999 -4.199 229 3HG1 VAL 28 HG13 VAL 28 56.519 3.613 -3.179 230 1HG2 VAL 28 HG23 VAL 28 54.654 7.165 -2.023 231 2HG2 VAL 28 HG22 VAL 28 56.406 7.077 -2.208 232 3HG2 VAL 28 HG21 VAL 28 55.356 6.780 -3.594 233 H ASN 29 HN ASN 29 52.819 7.006 -1.357 234 HA ASN 29 HA ASN 29 50.646 6.617 -3.205 235 1HB ASN 29 HB2 ASN 29 51.599 8.723 -1.408 236 2HB ASN 29 HB1 ASN 29 50.904 9.364 -2.898 237 1HD2 ASN 29 HD22 ASN 29 48.477 7.129 -0.430 238 2HD2 ASN 29 HD21 ASN 29 50.151 6.846 -0.415 239 H ASN 30 HN ASN 30 53.828 8.148 -3.475 240 HA ASN 30 HA ASN 30 53.463 8.166 -6.419 241 1HB ASN 30 HB2 ASN 30 52.968 10.469 -5.189 242 2HB ASN 30 HB1 ASN 30 54.728 10.581 -5.182 243 1HD2 ASN 30 HD22 ASN 30 54.412 11.952 -8.437 244 2HD2 ASN 30 HD21 ASN 30 54.848 12.243 -6.822 245 H ASP 31 HN ASP 31 55.911 9.492 -4.164 246 HA ASP 31 HA ASP 31 57.792 7.350 -4.697 247 1HB ASP 31 HB2 ASP 31 59.375 8.572 -6.064 248 2HB ASP 31 HB1 ASP 31 57.807 8.628 -6.870 249 H GLU 32 HN GLU 32 60.050 9.391 -4.505 250 HA GLU 32 HA GLU 32 61.004 9.351 -2.058 251 1HB GLU 32 HB2 GLU 32 61.449 11.085 -4.041 252 2HB GLU 32 HB1 GLU 32 60.636 12.177 -2.920 253 1HG GLU 32 HG2 GLU 32 63.016 12.262 -2.463 254 2HG GLU 32 HG1 GLU 32 62.229 11.419 -1.128 255 H THR 33 HN THR 33 58.231 11.565 -2.696 256 HA THR 33 HA THR 33 58.001 12.135 0.171 257 HB THR 33 HB THR 33 55.727 13.156 -0.890 258 HG1 THR 33 HG1 THR 33 56.602 13.981 -2.998 259 1HG2 THR 33 HG21 THR 33 58.548 14.232 -0.905 260 2HG2 THR 33 HG23 THR 33 57.170 15.226 -1.374 261 3HG2 THR 33 HG22 THR 33 57.262 14.559 0.256 262 H CYS 34 HN CYS 34 57.751 9.378 -0.306 263 HA CYS 34 HA CYS 34 55.130 8.399 -0.686 264 1HB CYS 34 HB2 CYS 34 56.116 6.783 1.385 265 2HB CYS 34 HB1 CYS 34 56.217 6.457 -0.334 266 H GLU 35 HN GLU 35 56.292 8.119 2.637 267 HA GLU 35 HA GLU 35 53.700 8.752 3.714 268 1HB GLU 35 HB2 GLU 35 56.391 8.802 5.107 269 2HB GLU 35 HB1 GLU 35 54.826 8.726 5.905 270 1HG GLU 35 HG2 GLU 35 55.573 6.661 3.853 271 2HG GLU 35 HG1 GLU 35 56.123 6.502 5.521 272 H GLN 36 HN GLN 36 56.618 10.655 3.095 273 HA GLN 36 HA GLN 36 56.005 13.019 4.497 274 1HB GLN 36 HB2 GLN 36 57.084 12.855 1.657 275 2HB GLN 36 HB1 GLN 36 57.272 14.212 2.769 276 1HG GLN 36 HG2 GLN 36 58.315 12.353 4.345 277 2HG GLN 36 HG1 GLN 36 58.606 11.531 2.811 278 1HE2 GLN 36 HE22 GLN 36 61.347 13.579 2.007 279 2HE2 GLN 36 HE21 GLN 36 60.481 12.148 1.716 280 H ARG 37 HN ARG 37 54.643 11.579 1.641 281 HA ARG 37 HA ARG 37 52.869 13.869 1.095 282 1HB ARG 37 HB2 ARG 37 53.735 12.487 -0.788 283 2HB ARG 37 HB1 ARG 37 52.911 11.080 -0.114 284 1HG ARG 37 HG2 ARG 37 51.204 11.729 -1.476 285 2HG ARG 37 HG1 ARG 37 50.864 12.880 -0.183 286 1HD ARG 37 HD2 ARG 37 52.939 13.938 -1.879 287 2HD ARG 37 HD1 ARG 37 51.557 13.464 -2.868 288 HE ARG 37 HE ARG 37 50.441 14.861 -0.733 289 1HH1 ARG 37 HH12 ARG 37 53.248 16.199 -1.117 290 2HH1 ARG 37 HH11 ARG 37 52.789 17.562 -2.084 291 1HH2 ARG 37 HH21 ARG 37 49.658 16.296 -2.864 292 2HH2 ARG 37 HH22 ARG 37 50.758 17.617 -3.071 293 H ALA 38 HN ALA 38 52.811 10.658 2.576 294 HA ALA 38 HA ALA 38 50.114 10.147 2.944 295 1HB ALA 38 HB3 ALA 38 52.448 9.852 4.844 296 2HB ALA 38 HB2 ALA 38 50.824 9.375 5.326 297 3HB ALA 38 HB1 ALA 38 51.602 8.590 3.952 298 H ALA 39 HN ALA 39 52.076 12.024 5.221 299 HA ALA 39 HA ALA 39 50.405 14.299 5.344 300 1HB ALA 39 HB3 ALA 39 49.468 11.984 6.939 301 2HB ALA 39 HB2 ALA 39 49.567 13.508 7.822 302 3HB ALA 39 HB1 ALA 39 48.572 13.392 6.370 303 H ARG 40 HN ARG 40 52.162 11.995 7.322 304 HA ARG 40 HA ARG 40 54.411 13.645 7.829 305 1HB ARG 40 HB2 ARG 40 52.097 14.193 9.526 306 2HB ARG 40 HB1 ARG 40 53.505 13.688 10.461 307 1HG ARG 40 HG2 ARG 40 54.777 15.382 8.883 308 2HG ARG 40 HG1 ARG 40 53.171 16.085 8.694 309 1HD ARG 40 HD2 ARG 40 53.223 16.979 10.766 310 2HD ARG 40 HD1 ARG 40 53.755 15.457 11.479 311 HE ARG 40 HE ARG 40 56.031 16.163 11.211 312 1HH1 ARG 40 HH12 ARG 40 53.855 18.169 9.466 313 2HH1 ARG 40 HH11 ARG 40 54.912 19.541 9.452 314 1HH2 ARG 40 HH21 ARG 40 57.361 18.008 11.370 315 2HH2 ARG 40 HH22 ARG 40 56.898 19.448 10.528 316 H ILE 41 HN ILE 41 55.777 11.881 7.932 317 HA ILE 41 HA ILE 41 55.020 9.307 8.777 318 HB ILE 41 HB ILE 41 57.192 9.827 7.614 319 1HG1 ILE 41 HG12 ILE 41 58.446 8.094 8.894 320 2HG1 ILE 41 HG11 ILE 41 57.259 8.239 10.190 321 1HG2 ILE 41 HG21 ILE 41 57.665 11.717 9.364 322 2HG2 ILE 41 HG23 ILE 41 58.311 10.401 10.342 323 3HG2 ILE 41 HG22 ILE 41 59.011 10.747 8.762 324 1HD1 ILE 41 HD12 ILE 41 56.276 7.773 7.398 325 2HD1 ILE 41 HD11 ILE 41 56.938 6.410 8.300 326 3HD1 ILE 41 HD13 ILE 41 55.550 7.297 8.932 327 H SER 42 HN SER 42 53.799 9.281 10.591 328 HA SER 42 HA SER 42 55.349 9.694 13.042 329 1HB SER 42 HB2 SER 42 53.792 11.067 14.102 330 2HB SER 42 HB1 SER 42 53.792 11.705 12.457 331 HG SER 42 HG SER 42 51.836 10.370 13.857 332 H LEU 43 HN LEU 43 54.996 7.305 11.980 333 HA LEU 43 HA LEU 43 52.841 6.177 13.662 334 1HB LEU 43 HB2 LEU 43 53.827 5.473 10.956 335 2HB LEU 43 HB1 LEU 43 53.491 4.105 12.017 336 HG LEU 43 HG LEU 43 51.457 6.279 11.947 337 1HD1 LEU 43 HD12 LEU 43 52.281 5.742 9.533 338 2HD1 LEU 43 HD11 LEU 43 51.468 4.195 9.770 339 3HD1 LEU 43 HD13 LEU 43 50.547 5.697 9.858 340 1HD2 LEU 43 HD21 LEU 43 51.684 3.681 12.965 341 2HD2 LEU 43 HD23 LEU 43 50.205 4.638 12.871 342 3HD2 LEU 43 HD22 LEU 43 50.610 3.513 11.576 343 H GLY 44 HN GLY 44 56.145 6.597 13.315 344 1HA GLY 44 HA2 GLY 44 57.064 5.498 15.610 345 2HA GLY 44 HA1 GLY 44 56.905 4.053 14.612 346 HA PRO 45 HA PRO 45 61.016 6.238 13.665 347 1HB PRO 45 HB2 PRO 45 62.641 4.589 15.082 348 2HB PRO 45 HB1 PRO 45 61.897 6.032 15.780 349 1HG PRO 45 HG2 PRO 45 61.225 3.185 16.212 350 2HG PRO 45 HG1 PRO 45 61.053 4.567 17.303 351 1HD PRO 45 HD2 PRO 45 59.000 3.363 15.845 352 2HD PRO 45 HD1 PRO 45 58.914 4.931 16.650 353 H ARG 46 HN ARG 46 60.662 2.715 14.265 354 HA ARG 46 HA ARG 46 62.364 1.831 12.199 355 1HB ARG 46 HB2 ARG 46 61.418 -0.293 12.506 356 2HB ARG 46 HB1 ARG 46 61.104 0.493 14.050 357 1HG ARG 46 HG2 ARG 46 59.092 0.490 11.787 358 2HG ARG 46 HG1 ARG 46 59.127 -0.747 13.039 359 1HD ARG 46 HD2 ARG 46 58.967 2.208 13.662 360 2HD ARG 46 HD1 ARG 46 57.545 1.183 13.488 361 HE ARG 46 HE ARG 46 59.204 1.304 15.811 362 1HH1 ARG 46 HH12 ARG 46 59.896 -1.429 14.768 363 2HH1 ARG 46 HH11 ARG 46 58.678 -2.411 15.512 364 1HH2 ARG 46 HH21 ARG 46 56.635 0.267 16.324 365 2HH2 ARG 46 HH22 ARG 46 56.834 -1.451 16.393 366 H CYS 47 HN CYS 47 59.187 3.184 12.082 367 HA CYS 47 HA CYS 47 58.380 2.300 9.450 368 1HB CYS 47 HB2 CYS 47 57.303 3.860 11.521 369 2HB CYS 47 HB1 CYS 47 57.503 4.993 10.178 370 H ILE 48 HN ILE 48 59.618 5.454 10.547 371 HA ILE 48 HA ILE 48 59.897 6.833 8.246 372 HB ILE 48 HB ILE 48 61.164 6.846 10.792 373 1HG1 ILE 48 HG12 ILE 48 61.755 9.238 9.440 374 2HG1 ILE 48 HG11 ILE 48 60.252 8.651 8.724 375 1HG2 ILE 48 HG22 ILE 48 63.083 7.117 8.481 376 2HG2 ILE 48 HG21 ILE 48 63.355 7.931 10.020 377 3HG2 ILE 48 HG23 ILE 48 63.272 6.172 9.958 378 1HD1 ILE 48 HD13 ILE 48 60.559 8.584 11.706 379 2HD1 ILE 48 HD12 ILE 48 60.186 10.119 10.920 380 3HD1 ILE 48 HD11 ILE 48 59.094 8.746 10.738 381 H LYS 49 HN LYS 49 62.566 4.625 9.272 382 HA LYS 49 HA LYS 49 63.667 4.718 6.561 383 1HB LYS 49 HB2 LYS 49 64.504 3.585 9.187 384 2HB LYS 49 HB1 LYS 49 65.192 2.869 7.728 385 1HG LYS 49 HG2 LYS 49 65.179 5.762 7.539 386 2HG LYS 49 HG1 LYS 49 66.029 5.236 8.991 387 1HD LYS 49 HD2 LYS 49 66.554 4.152 6.208 388 2HD LYS 49 HD1 LYS 49 67.530 5.389 7.000 389 1HE LYS 49 HE2 LYS 49 67.745 3.678 8.939 390 2HE LYS 49 HE1 LYS 49 67.198 2.490 7.756 391 1HZ LYS 49 HZ3 LYS 49 69.118 3.942 6.455 392 2HZ LYS 49 HZ2 LYS 49 69.747 3.738 8.020 393 3HZ LYS 49 HZ1 LYS 49 69.301 2.382 7.097 394 H ALA 50 HN ALA 50 61.523 2.570 8.290 395 HA ALA 50 HA ALA 50 62.121 0.258 6.662 396 1HB ALA 50 HB2 ALA 50 59.643 0.929 8.280 397 2HB ALA 50 HB1 ALA 50 59.996 -0.646 7.570 398 3HB ALA 50 HB3 ALA 50 61.025 -0.006 8.849 399 H PHE 51 HN PHE 51 59.275 2.368 6.812 400 HA PHE 51 HA PHE 51 58.285 1.587 4.298 401 1HB PHE 51 HB2 PHE 51 56.602 3.069 4.691 402 2HB PHE 51 HB1 PHE 51 57.238 3.022 6.324 403 HD1 PHE 51 HD2 PHE 51 57.493 4.899 3.085 404 HD2 PHE 51 HD1 PHE 51 58.046 4.992 7.328 405 HE1 PHE 51 HE2 PHE 51 57.970 7.334 2.984 406 HE2 PHE 51 HE1 PHE 51 58.516 7.409 7.224 407 HZ PHE 51 HZ PHE 51 58.478 8.583 5.064 408 H THR 52 HN THR 52 60.221 4.438 5.275 409 HA THR 52 HA THR 52 60.308 5.608 2.706 410 HB THR 52 HB THR 52 62.452 5.620 4.847 411 HG1 THR 52 HG1 THR 52 61.455 7.463 5.496 412 1HG2 THR 52 HG21 THR 52 62.197 6.980 2.200 413 2HG2 THR 52 HG23 THR 52 62.876 7.899 3.543 414 3HG2 THR 52 HG22 THR 52 63.641 6.396 3.028 415 H GLU 53 HN GLU 53 62.329 3.094 4.136 416 HA GLU 53 HA GLU 53 64.202 2.855 2.001 417 1HB GLU 53 HB2 GLU 53 64.698 1.956 4.187 418 2HB GLU 53 HB1 GLU 53 63.301 0.888 4.080 419 1HG GLU 53 HG2 GLU 53 65.510 -0.225 3.543 420 2HG GLU 53 HG1 GLU 53 64.289 -0.362 2.277 421 H CYS 54 HN CYS 54 61.132 1.207 2.658 422 HA CYS 54 HA CYS 54 61.403 -0.590 0.381 423 1HB CYS 54 HB2 CYS 54 59.302 0.021 2.413 424 2HB CYS 54 HB1 CYS 54 58.812 -0.779 0.918 425 H CYS 55 HN CYS 55 60.161 2.565 0.978 426 HA CYS 55 HA CYS 55 58.607 2.695 -1.501 427 1HB CYS 55 HB2 CYS 55 57.605 4.168 -0.066 428 2HB CYS 55 HB1 CYS 55 59.054 4.336 0.908 429 H VAL 56 HN VAL 56 61.829 3.406 -0.369 430 HA VAL 56 HA VAL 56 62.527 5.023 -2.716 431 HB VAL 56 HB VAL 56 64.316 3.692 -0.647 432 1HG1 VAL 56 HG12 VAL 56 64.770 5.540 -2.957 433 2HG1 VAL 56 HG11 VAL 56 65.782 5.716 -1.523 434 3HG1 VAL 56 HG13 VAL 56 65.748 4.184 -2.397 435 1HG2 VAL 56 HG21 VAL 56 62.508 5.788 -0.272 436 2HG2 VAL 56 HG23 VAL 56 63.881 5.401 0.764 437 3HG2 VAL 56 HG22 VAL 56 64.056 6.596 -0.521 438 H VAL 57 HN VAL 57 63.033 1.719 -1.552 439 HA VAL 57 HA VAL 57 64.592 0.905 -3.831 440 HB VAL 57 HB VAL 57 63.977 -1.394 -3.097 441 1HG1 VAL 57 HG13 VAL 57 64.778 0.594 -0.959 442 2HG1 VAL 57 HG12 VAL 57 64.832 -1.151 -0.705 443 3HG1 VAL 57 HG11 VAL 57 65.842 -0.408 -1.946 444 1HG2 VAL 57 HG21 VAL 57 62.206 0.104 -1.143 445 2HG2 VAL 57 HG23 VAL 57 61.657 -0.948 -2.446 446 3HG2 VAL 57 HG22 VAL 57 62.535 -1.627 -1.077 447 H ALA 58 HN ALA 58 61.211 0.912 -2.886 448 HA ALA 58 HA ALA 58 60.147 -0.249 -5.287 449 1HB ALA 58 HB1 ALA 58 59.048 1.557 -3.130 450 2HB ALA 58 HB3 ALA 58 58.074 1.127 -4.536 451 3HB ALA 58 HB2 ALA 58 58.648 -0.132 -3.441 452 H SER 59 HN SER 59 61.347 2.829 -4.305 453 HA SER 59 HA SER 59 60.188 4.491 -6.302 454 1HB SER 59 HB2 SER 59 61.516 5.090 -4.177 455 2HB SER 59 HB1 SER 59 62.937 4.934 -5.204 456 HG SER 59 HG SER 59 62.191 7.058 -5.259 457 H GLN 60 HN GLN 60 63.372 2.917 -6.155 458 HA GLN 60 HA GLN 60 64.132 3.605 -8.845 459 1HB GLN 60 HB2 GLN 60 65.252 2.229 -6.591 460 2HB GLN 60 HB1 GLN 60 65.423 1.217 -8.026 461 1HG GLN 60 HG2 GLN 60 66.746 2.782 -9.133 462 2HG GLN 60 HG1 GLN 60 66.057 4.136 -8.235 463 1HE2 GLN 60 HE22 GLN 60 68.079 3.213 -5.257 464 2HE2 GLN 60 HE21 GLN 60 66.430 3.432 -5.593 465 H LEU 61 HN LEU 61 62.266 1.064 -7.401 466 HA LEU 61 HA LEU 61 62.420 -0.801 -9.594 467 1HB LEU 61 HB2 LEU 61 60.590 -0.401 -7.235 468 2HB LEU 61 HB1 LEU 61 60.240 -1.630 -8.441 469 HG LEU 61 HG LEU 61 62.664 -1.417 -6.686 470 1HD1 LEU 61 HD11 LEU 61 60.193 -2.757 -6.453 471 2HD1 LEU 61 HD13 LEU 61 61.380 -3.996 -6.859 472 3HD1 LEU 61 HD12 LEU 61 61.619 -2.976 -5.441 473 1HD2 LEU 61 HD23 LEU 61 62.201 -2.916 -9.240 474 2HD2 LEU 61 HD22 LEU 61 63.672 -2.136 -8.660 475 3HD2 LEU 61 HD21 LEU 61 63.162 -3.678 -7.973 476 H ARG 62 HN ARG 62 60.364 1.921 -8.713 477 HA ARG 62 HA ARG 62 58.779 1.471 -11.168 478 1HB ARG 62 HB2 ARG 62 57.143 2.992 -10.261 479 2HB ARG 62 HB1 ARG 62 57.586 1.853 -8.992 480 1HG ARG 62 HG2 ARG 62 58.974 3.456 -7.900 481 2HG ARG 62 HG1 ARG 62 58.931 4.544 -9.288 482 1HD ARG 62 HD2 ARG 62 57.109 5.554 -8.435 483 2HD ARG 62 HD1 ARG 62 56.233 4.028 -8.536 484 HE ARG 62 HE ARG 62 56.456 3.841 -6.200 485 1HH1 ARG 62 HH12 ARG 62 58.243 6.512 -7.337 486 2HH1 ARG 62 HH11 ARG 62 59.164 6.704 -5.884 487 1HH2 ARG 62 HH21 ARG 62 57.925 3.834 -4.393 488 2HH2 ARG 62 HH22 ARG 62 58.982 5.194 -4.221 489 H ALA 63 HN ALA 63 61.516 3.176 -10.275 490 HA ALA 63 HA ALA 63 60.885 5.570 -11.888 491 1HB ALA 63 HB3 ALA 63 62.371 5.430 -9.714 492 2HB ALA 63 HB2 ALA 63 63.630 4.939 -10.848 493 3HB ALA 63 HB1 ALA 63 62.840 6.506 -11.030 494 H ASN 64 HN ASN 64 63.107 2.777 -11.999 495 HA ASN 64 HA ASN 64 63.859 3.514 -14.771 496 1HB ASN 64 HB2 ASN 64 65.383 2.526 -12.778 497 2HB ASN 64 HB1 ASN 64 64.874 1.010 -13.523 498 1HD2 ASN 64 HD22 ASN 64 67.892 1.924 -15.401 499 2HD2 ASN 64 HD21 ASN 64 67.485 1.304 -13.874 500 H ILE 65 HN ILE 65 61.253 2.116 -13.555 501 HA ILE 65 HA ILE 65 61.000 0.258 -15.865 502 HB ILE 65 HB ILE 65 59.860 -0.562 -13.211 503 1HG1 ILE 65 HG12 ILE 65 62.705 -1.078 -14.137 504 2HG1 ILE 65 HG11 ILE 65 62.241 -0.071 -12.766 505 1HG2 ILE 65 HG21 ILE 65 60.470 -1.751 -15.862 506 2HG2 ILE 65 HG23 ILE 65 60.757 -2.794 -14.470 507 3HG2 ILE 65 HG22 ILE 65 59.154 -2.110 -14.743 508 1HD1 ILE 65 HD11 ILE 65 61.145 -2.050 -11.723 509 2HD1 ILE 65 HD13 ILE 65 61.720 -3.043 -13.062 510 3HD1 ILE 65 HD12 ILE 65 62.875 -2.291 -11.963 511 H SER 66 HN SER 66 58.463 -0.592 -15.593 512 HA SER 66 HA SER 66 56.548 1.246 -14.571 513 1HB SER 66 HB2 SER 66 57.884 2.311 -16.771 514 2HB SER 66 HB1 SER 66 56.394 1.670 -17.457 515 HG SER 66 HG SER 66 55.826 3.638 -16.742 516 H HIS 67 HN HIS 67 56.974 -1.620 -14.978 517 HA HIS 67 HA HIS 67 54.344 -2.234 -16.174 518 1HB HIS 67 HB2 HIS 67 56.487 -2.452 -17.809 519 2HB HIS 67 HB1 HIS 67 56.523 -4.045 -17.055 520 HD1 HIS 67 HD1 HIS 67 53.331 -4.156 -16.694 521 HD2 HIS 67 HD2 HIS 67 55.386 -3.427 -20.247 522 HE1 HIS 67 HE1 HIS 67 51.752 -4.777 -18.575 523 H LYS 68 HN LYS 68 55.208 -5.141 -16.224 524 HA LYS 68 HA LYS 68 54.204 -6.125 -13.890 525 1HB LYS 68 HB2 LYS 68 56.058 -7.110 -15.876 526 2HB LYS 68 HB1 LYS 68 56.517 -7.702 -14.279 527 1HG LYS 68 HG2 LYS 68 54.178 -8.468 -13.917 528 2HG LYS 68 HG1 LYS 68 53.774 -7.944 -15.552 529 1HD LYS 68 HD2 LYS 68 55.172 -9.574 -16.545 530 2HD LYS 68 HD1 LYS 68 56.044 -9.866 -15.040 531 1HE LYS 68 HE2 LYS 68 54.596 -11.720 -15.199 532 2HE LYS 68 HE1 LYS 68 53.744 -10.629 -14.106 533 1HZ LYS 68 HZ3 LYS 68 53.120 -10.022 -16.798 534 2HZ LYS 68 HZ2 LYS 68 52.819 -11.666 -16.492 535 3HZ LYS 68 HZ1 LYS 68 52.080 -10.472 -15.537 536 H ASP 69 HN ASP 69 57.636 -5.217 -14.264 537 HA ASP 69 HA ASP 69 58.342 -5.669 -11.546 538 1HB ASP 69 HB2 ASP 69 59.596 -4.586 -13.935 539 2HB ASP 69 HB1 ASP 69 60.009 -3.629 -12.510 540 H MET 70 HN MET 70 57.699 -2.611 -13.305 541 HA MET 70 HA MET 70 57.620 -1.012 -10.904 542 1HB MET 70 HB2 MET 70 58.054 -0.092 -13.180 543 2HB MET 70 HB1 MET 70 56.379 -0.435 -13.612 544 1HG MET 70 HG2 MET 70 56.938 1.173 -11.145 545 2HG MET 70 HG1 MET 70 57.053 1.959 -12.718 546 1HE MET 70 HE3 MET 70 55.512 2.016 -10.069 547 2HE MET 70 HE2 MET 70 53.920 2.646 -10.482 548 3HE MET 70 HE1 MET 70 54.089 0.968 -9.970 549 H GLN 71 HN GLN 71 54.865 -1.513 -13.135 550 HA GLN 71 HA GLN 71 52.802 -0.808 -11.460 551 1HB GLN 71 HB2 GLN 71 52.625 -1.680 -13.848 552 2HB GLN 71 HB1 GLN 71 52.650 -3.305 -13.162 553 1HG GLN 71 HG2 GLN 71 50.439 -3.134 -12.783 554 2HG GLN 71 HG1 GLN 71 50.771 -1.832 -11.642 555 1HE2 GLN 71 HE22 GLN 71 49.434 0.641 -13.753 556 2HE2 GLN 71 HE21 GLN 71 49.973 0.208 -12.203 557 H LEU 72 HN LEU 72 54.495 -3.965 -11.429 558 HA LEU 72 HA LEU 72 52.918 -4.688 -8.994 559 1HB LEU 72 HB2 LEU 72 53.909 -6.160 -11.255 560 2HB LEU 72 HB1 LEU 72 54.587 -6.836 -9.774 561 HG LEU 72 HG LEU 72 52.321 -6.986 -8.828 562 1HD1 LEU 72 HD13 LEU 72 51.821 -5.138 -10.945 563 2HD1 LEU 72 HD12 LEU 72 50.788 -6.546 -11.188 564 3HD1 LEU 72 HD11 LEU 72 50.721 -5.654 -9.668 565 1HD2 LEU 72 HD23 LEU 72 53.272 -8.412 -11.161 566 2HD2 LEU 72 HD22 LEU 72 52.333 -9.028 -9.802 567 3HD2 LEU 72 HD21 LEU 72 51.512 -8.315 -11.190 568 H GLY 73 HN GLY 73 56.217 -5.553 -9.962 569 1HA GLY 73 HA2 GLY 73 57.398 -5.794 -7.500 570 2HA GLY 73 HA1 GLY 73 58.268 -5.139 -8.889 571 H ARG 74 HN ARG 74 56.396 -2.859 -9.093 572 HA ARG 74 HA ARG 74 56.236 -0.657 -8.282 573 1HB ARG 74 HB2 ARG 74 56.782 -2.009 -5.621 574 2HB ARG 74 HB1 ARG 74 56.179 -0.365 -5.831 575 1HG ARG 74 HG2 ARG 74 54.475 -1.950 -7.391 576 2HG ARG 74 HG1 ARG 74 54.716 -2.875 -5.908 577 1HD ARG 74 HD2 ARG 74 52.902 -1.473 -5.373 578 2HD ARG 74 HD1 ARG 74 54.285 -0.616 -4.694 579 HE ARG 74 HE ARG 74 53.663 0.177 -7.437 580 1HH1 ARG 74 HH12 ARG 74 54.672 2.406 -6.358 581 2HH1 ARG 74 HH11 ARG 74 53.401 3.251 -5.539 582 1HH2 ARG 74 HH21 ARG 74 51.300 0.497 -5.395 583 2HH2 ARG 74 HH22 ARG 74 51.495 2.170 -4.991 No H/Q in entry = 583 Start of MODEL 12 1 H MET 1 HN MET 1 56.325 -9.861 -10.751 2 HA MET 1 HA MET 1 56.504 -10.621 -7.902 3 1HB MET 1 HB2 MET 1 58.229 -8.917 -9.694 4 2HB MET 1 HB1 MET 1 58.490 -9.077 -7.959 5 1HG MET 1 HG2 MET 1 59.501 -11.062 -8.230 6 2HG MET 1 HG1 MET 1 58.116 -11.678 -9.128 7 1HE MET 1 HE2 MET 1 57.973 -12.272 -11.072 8 2HE MET 1 HE1 MET 1 57.957 -10.868 -12.136 9 3HE MET 1 HE3 MET 1 59.108 -12.181 -12.416 10 H LEU 2 HN LEU 2 54.238 -9.493 -7.738 11 HA LEU 2 HA LEU 2 54.211 -6.597 -7.735 12 1HB LEU 2 HB2 LEU 2 52.168 -8.109 -7.897 13 2HB LEU 2 HB1 LEU 2 52.381 -8.442 -6.180 14 HG LEU 2 HG LEU 2 52.195 -6.030 -5.687 15 1HD1 LEU 2 HD12 LEU 2 51.848 -5.859 -8.689 16 2HD1 LEU 2 HD11 LEU 2 51.354 -4.567 -7.594 17 3HD1 LEU 2 HD13 LEU 2 53.051 -5.037 -7.695 18 1HD2 LEU 2 HD22 LEU 2 49.986 -7.305 -7.316 19 2HD2 LEU 2 HD21 LEU 2 50.137 -7.246 -5.560 20 3HD2 LEU 2 HD23 LEU 2 49.773 -5.776 -6.463 21 H GLN 3 HN GLN 3 56.052 -8.551 -5.913 22 HA GLN 3 HA GLN 3 56.636 -6.638 -3.905 23 1HB GLN 3 HB2 GLN 3 55.538 -7.507 -1.947 24 2HB GLN 3 HB1 GLN 3 54.290 -7.302 -3.176 25 1HG GLN 3 HG2 GLN 3 55.388 -9.894 -3.546 26 2HG GLN 3 HG1 GLN 3 55.074 -9.707 -1.820 27 1HE2 GLN 3 HE22 GLN 3 51.945 -10.796 -3.720 28 2HE2 GLN 3 HE21 GLN 3 53.540 -11.374 -3.773 29 H LYS 4 HN LYS 4 58.412 -7.994 -5.310 30 HA LYS 4 HA LYS 4 59.159 -10.466 -3.873 31 1HB LYS 4 HB2 LYS 4 59.288 -9.921 -6.491 32 2HB LYS 4 HB1 LYS 4 60.885 -9.335 -6.023 33 1HG LYS 4 HG2 LYS 4 59.794 -12.080 -5.340 34 2HG LYS 4 HG1 LYS 4 60.903 -11.744 -6.670 35 1HD LYS 4 HD2 LYS 4 62.543 -12.129 -5.150 36 2HD LYS 4 HD1 LYS 4 62.159 -10.516 -4.550 37 1HE LYS 4 HE2 LYS 4 62.156 -12.189 -2.722 38 2HE LYS 4 HE1 LYS 4 60.559 -11.473 -2.945 39 1HZ LYS 4 HZ2 LYS 4 61.233 -13.914 -4.425 40 2HZ LYS 4 HZ1 LYS 4 60.854 -14.045 -2.774 41 3HZ LYS 4 HZ3 LYS 4 59.727 -13.379 -3.853 42 H LYS 5 HN LYS 5 60.747 -7.370 -4.761 43 HA LYS 5 HA LYS 5 62.877 -7.891 -2.841 44 1HB LYS 5 HB2 LYS 5 63.992 -6.231 -3.953 45 2HB LYS 5 HB1 LYS 5 62.722 -6.446 -5.153 46 1HG LYS 5 HG2 LYS 5 61.424 -4.643 -4.194 47 2HG LYS 5 HG1 LYS 5 62.571 -4.474 -2.871 48 1HD LYS 5 HD2 LYS 5 63.147 -3.992 -5.807 49 2HD LYS 5 HD1 LYS 5 63.020 -2.756 -4.554 50 1HE LYS 5 HE2 LYS 5 64.914 -3.957 -3.347 51 2HE LYS 5 HE1 LYS 5 65.131 -4.910 -4.816 52 1HZ LYS 5 HZ1 LYS 5 65.188 -2.614 -5.953 53 2HZ LYS 5 HZ3 LYS 5 65.535 -2.021 -4.402 54 3HZ LYS 5 HZ2 LYS 5 66.571 -3.157 -5.127 55 H ILE 6 HN ILE 6 59.786 -6.470 -2.809 56 HA ILE 6 HA ILE 6 60.373 -4.788 -0.450 57 HB ILE 6 HB ILE 6 57.738 -5.177 -1.876 58 1HG1 ILE 6 HG12 ILE 6 59.775 -4.546 -3.339 59 2HG1 ILE 6 HG11 ILE 6 58.365 -3.473 -3.406 60 1HG2 ILE 6 HG22 ILE 6 58.702 -3.552 0.327 61 2HG2 ILE 6 HG21 ILE 6 58.095 -2.541 -0.981 62 3HG2 ILE 6 HG23 ILE 6 57.053 -3.764 -0.255 63 1HD1 ILE 6 HD12 ILE 6 60.270 -2.785 -1.274 64 2HD1 ILE 6 HD11 ILE 6 60.943 -2.649 -2.899 65 3HD1 ILE 6 HD13 ILE 6 59.492 -1.744 -2.466 66 H GLU 7 HN GLU 7 58.548 -7.716 -1.316 67 HA GLU 7 HA GLU 7 57.384 -7.942 1.349 68 1HB GLU 7 HB2 GLU 7 56.340 -9.883 0.580 69 2HB GLU 7 HB1 GLU 7 56.565 -9.004 -0.930 70 1HG GLU 7 HG2 GLU 7 57.397 -11.111 -1.494 71 2HG GLU 7 HG1 GLU 7 58.869 -10.278 -0.995 72 H GLU 8 HN GLU 8 60.338 -8.786 -0.208 73 HA GLU 8 HA GLU 8 61.156 -10.848 1.652 74 1HB GLU 8 HB2 GLU 8 63.292 -10.715 0.561 75 2HB GLU 8 HB1 GLU 8 62.074 -10.481 -0.693 76 1HG GLU 8 HG2 GLU 8 62.360 -8.030 -0.541 77 2HG GLU 8 HG1 GLU 8 63.563 -8.263 0.743 78 H ILE 9 HN ILE 9 61.894 -7.365 1.323 79 HA ILE 9 HA ILE 9 63.535 -7.318 3.705 80 HB ILE 9 HB ILE 9 63.520 -5.670 1.694 81 1HG1 ILE 9 HG12 ILE 9 64.966 -5.386 3.638 82 2HG1 ILE 9 HG11 ILE 9 64.278 -3.823 3.194 83 1HG2 ILE 9 HG23 ILE 9 61.088 -5.159 1.888 84 2HG2 ILE 9 HG22 ILE 9 61.402 -4.399 3.449 85 3HG2 ILE 9 HG21 ILE 9 62.098 -3.716 1.980 86 1HD1 ILE 9 HD12 ILE 9 62.379 -4.565 4.896 87 2HD1 ILE 9 HD11 ILE 9 63.681 -5.555 5.557 88 3HD1 ILE 9 HD13 ILE 9 63.863 -3.804 5.470 89 H ALA 10 HN ALA 10 60.156 -6.716 2.964 90 HA ALA 10 HA ALA 10 59.389 -5.607 5.488 91 1HB ALA 10 HB2 ALA 10 57.943 -7.137 3.335 92 2HB ALA 10 HB1 ALA 10 57.123 -6.689 4.830 93 3HB ALA 10 HB3 ALA 10 57.777 -5.438 3.775 94 H ALA 11 HN ALA 11 59.427 -8.930 4.243 95 HA ALA 11 HA ALA 11 58.499 -10.133 6.686 96 1HB ALA 11 HB3 ALA 11 59.328 -11.000 4.058 97 2HB ALA 11 HB2 ALA 11 60.069 -12.016 5.294 98 3HB ALA 11 HB1 ALA 11 58.316 -11.839 5.232 99 H LYS 12 HN LYS 12 61.691 -9.214 5.454 100 HA LYS 12 HA LYS 12 62.961 -10.683 7.688 101 1HB LYS 12 HB2 LYS 12 65.064 -10.114 6.733 102 2HB LYS 12 HB1 LYS 12 64.010 -10.468 5.367 103 1HG LYS 12 HG2 LYS 12 64.601 -8.458 4.557 104 2HG LYS 12 HG1 LYS 12 63.597 -7.758 5.828 105 1HD LYS 12 HD2 LYS 12 65.537 -6.734 6.453 106 2HD LYS 12 HD1 LYS 12 65.893 -8.286 7.209 107 1HE LYS 12 HE2 LYS 12 66.653 -7.582 4.361 108 2HE LYS 12 HE1 LYS 12 67.747 -7.432 5.737 109 1HZ LYS 12 HZ2 LYS 12 66.351 -9.967 5.131 110 2HZ LYS 12 HZ1 LYS 12 67.834 -9.573 4.402 111 3HZ LYS 12 HZ3 LYS 12 67.733 -9.722 6.089 112 H TYR 13 HN TYR 13 61.170 -8.782 8.607 113 HA TYR 13 HA TYR 13 62.934 -6.595 9.602 114 1HB TYR 13 HB2 TYR 13 59.977 -6.831 9.183 115 2HB TYR 13 HB1 TYR 13 60.559 -5.791 10.477 116 HD1 TYR 13 HD1 TYR 13 63.077 -4.738 9.392 117 HD2 TYR 13 HD2 TYR 13 59.298 -5.389 7.459 118 HE1 TYR 13 HE1 TYR 13 63.617 -2.969 7.742 119 HE2 TYR 13 HE2 TYR 13 59.839 -3.625 5.809 120 HH TYR 13 HH TYR 13 61.734 -2.483 4.892 121 H LYS 14 HN LYS 14 63.195 -6.337 11.817 122 HA LYS 14 HA LYS 14 62.590 -8.710 13.455 123 1HB LYS 14 HB2 LYS 14 64.356 -6.321 13.690 124 2HB LYS 14 HB1 LYS 14 63.774 -7.030 15.197 125 1HG LYS 14 HG2 LYS 14 64.602 -9.248 14.456 126 2HG LYS 14 HG1 LYS 14 65.226 -8.507 12.982 127 1HD LYS 14 HD2 LYS 14 66.414 -6.875 14.707 128 2HD LYS 14 HD1 LYS 14 66.209 -8.245 15.798 129 1HE LYS 14 HE2 LYS 14 68.188 -8.927 14.883 130 2HE LYS 14 HE1 LYS 14 67.144 -9.525 13.593 131 1HZ LYS 14 HZ3 LYS 14 67.439 -7.387 12.458 132 2HZ LYS 14 HZ2 LYS 14 68.522 -6.896 13.671 133 3HZ LYS 14 HZ1 LYS 14 68.908 -8.209 12.664 134 H HIS 15 HN HIS 15 60.287 -7.272 12.626 135 HA HIS 15 HA HIS 15 58.965 -6.871 15.140 136 1HB HIS 15 HB2 HIS 15 60.374 -4.603 14.119 137 2HB HIS 15 HB1 HIS 15 58.648 -4.294 13.938 138 HD1 HIS 15 HD1 HIS 15 61.330 -4.473 16.457 139 HD2 HIS 15 HD2 HIS 15 57.162 -4.548 16.466 140 HE1 HIS 15 HE1 HIS 15 60.611 -4.045 18.847 141 H SER 16 HN SER 16 57.174 -7.965 14.428 142 HA SER 16 HA SER 16 56.106 -8.249 11.918 143 1HB SER 16 HB2 SER 16 54.866 -8.088 14.618 144 2HB SER 16 HB1 SER 16 53.782 -8.032 13.232 145 HG SER 16 HG SER 16 55.141 -10.118 14.278 146 H VAL 17 HN VAL 17 55.484 -5.382 14.004 147 HA VAL 17 HA VAL 17 53.622 -4.121 12.278 148 HB VAL 17 HB VAL 17 55.628 -2.688 14.030 149 1HG1 VAL 17 HG11 VAL 17 54.150 -1.346 12.509 150 2HG1 VAL 17 HG13 VAL 17 52.750 -2.056 13.313 151 3HG1 VAL 17 HG12 VAL 17 53.861 -1.029 14.220 152 1HG2 VAL 17 HG23 VAL 17 53.158 -4.277 14.716 153 2HG2 VAL 17 HG22 VAL 17 54.739 -4.310 15.495 154 3HG2 VAL 17 HG21 VAL 17 53.671 -2.927 15.729 155 H VAL 18 HN VAL 18 57.191 -3.911 12.348 156 HA VAL 18 HA VAL 18 57.563 -1.838 10.493 157 HB VAL 18 HB VAL 18 59.162 -4.413 10.478 158 1HG1 VAL 18 HG11 VAL 18 59.617 -2.692 8.718 159 2HG1 VAL 18 HG13 VAL 18 59.971 -1.536 10.001 160 3HG1 VAL 18 HG12 VAL 18 60.986 -2.963 9.797 161 1HG2 VAL 18 HG23 VAL 18 58.660 -2.906 12.733 162 2HG2 VAL 18 HG22 VAL 18 60.087 -3.906 12.478 163 3HG2 VAL 18 HG21 VAL 18 60.145 -2.187 12.116 164 H LYS 19 HN LYS 19 56.280 -5.027 10.042 165 HA LYS 19 HA LYS 19 56.699 -5.348 7.248 166 1HB LYS 19 HB2 LYS 19 55.546 -6.889 9.129 167 2HB LYS 19 HB1 LYS 19 54.088 -6.221 8.393 168 1HG LYS 19 HG2 LYS 19 55.306 -6.845 6.137 169 2HG LYS 19 HG1 LYS 19 56.201 -7.964 7.167 170 1HD LYS 19 HD2 LYS 19 53.347 -8.037 7.744 171 2HD LYS 19 HD1 LYS 19 53.676 -8.406 6.050 172 1HE LYS 19 HE2 LYS 19 54.648 -10.390 6.555 173 2HE LYS 19 HE1 LYS 19 55.546 -9.703 7.908 174 1HZ LYS 19 HZ1 LYS 19 52.635 -10.191 8.065 175 2HZ LYS 19 HZ3 LYS 19 53.759 -11.405 8.438 176 3HZ LYS 19 HZ2 LYS 19 53.740 -9.963 9.336 177 H LYS 20 HN LYS 20 53.923 -3.901 8.997 178 HA LYS 20 HA LYS 20 52.492 -3.067 6.681 179 1HB LYS 20 HB2 LYS 20 51.319 -2.977 8.745 180 2HB LYS 20 HB1 LYS 20 52.586 -2.023 9.511 181 1HG LYS 20 HG2 LYS 20 51.566 -0.119 8.876 182 2HG LYS 20 HG1 LYS 20 51.659 -0.607 7.183 183 1HD LYS 20 HD2 LYS 20 49.334 -0.321 7.647 184 2HD LYS 20 HD1 LYS 20 49.607 -2.065 7.641 185 1HE LYS 20 HE2 LYS 20 48.516 -1.966 9.647 186 2HE LYS 20 HE1 LYS 20 50.112 -1.519 10.250 187 1HZ LYS 20 HZ2 LYS 20 48.925 0.788 9.249 188 2HZ LYS 20 HZ1 LYS 20 47.757 0.018 10.213 189 3HZ LYS 20 HZ3 LYS 20 49.269 0.415 10.871 190 H CYS 21 HN CYS 21 54.900 -1.378 8.678 191 HA CYS 21 HA CYS 21 54.935 1.128 7.458 192 1HB CYS 21 HB2 CYS 21 57.204 -0.563 8.533 193 2HB CYS 21 HB1 CYS 21 57.418 1.112 8.031 194 H CYS 22 HN CYS 22 56.885 -1.704 6.468 195 HA CYS 22 HA CYS 22 57.871 -0.434 4.076 196 1HB CYS 22 HB2 CYS 22 59.181 -2.239 4.818 197 2HB CYS 22 HB1 CYS 22 57.780 -3.270 5.099 198 H TYR 23 HN TYR 23 54.955 -2.130 4.930 199 HA TYR 23 HA TYR 23 54.105 -2.942 2.354 200 1HB TYR 23 HB2 TYR 23 52.920 -2.617 4.956 201 2HB TYR 23 HB1 TYR 23 51.812 -2.053 3.721 202 HD1 TYR 23 HD2 TYR 23 51.574 -3.563 1.594 203 HD2 TYR 23 HD1 TYR 23 53.064 -4.862 5.396 204 HE1 TYR 23 HE2 TYR 23 51.058 -5.913 0.986 205 HE2 TYR 23 HE1 TYR 23 52.556 -7.179 4.792 206 HH TYR 23 HH TYR 23 51.509 -8.098 1.569 207 H ASP 24 HN ASP 24 53.377 0.073 4.133 208 HA ASP 24 HA ASP 24 52.125 1.374 1.901 209 1HB ASP 24 HB2 ASP 24 53.594 2.891 4.040 210 2HB ASP 24 HB1 ASP 24 52.078 3.298 3.242 211 H GLY 25 HN GLY 25 55.449 1.518 3.224 212 1HA GLY 25 HA2 GLY 25 56.650 3.383 1.594 213 2HA GLY 25 HA1 GLY 25 57.457 1.867 2.017 214 H ALA 26 HN ALA 26 56.227 -0.056 0.658 215 HA ALA 26 HA ALA 26 56.973 0.363 -2.083 216 1HB ALA 26 HB3 ALA 26 56.371 -1.839 -0.495 217 2HB ALA 26 HB2 ALA 26 55.051 -1.801 -1.664 218 3HB ALA 26 HB1 ALA 26 56.722 -1.881 -2.222 219 H CYS 27 HN CYS 27 53.883 0.513 -0.357 220 HA CYS 27 HA CYS 27 52.383 0.948 -2.854 221 1HB CYS 27 HB2 CYS 27 51.648 0.837 0.069 222 2HB CYS 27 HB1 CYS 27 50.497 1.419 -1.135 223 HG CYS 27 HG CYS 27 50.711 -0.930 -2.342 224 H VAL 28 HN VAL 28 54.499 2.827 -1.443 225 HA VAL 28 HA VAL 28 53.760 5.216 -0.512 226 HB VAL 28 HB VAL 28 55.987 5.074 -1.274 227 1HG1 VAL 28 HG12 VAL 28 54.694 4.083 -3.767 228 2HG1 VAL 28 HG11 VAL 28 56.232 4.927 -3.942 229 3HG1 VAL 28 HG13 VAL 28 56.127 3.489 -2.928 230 1HG2 VAL 28 HG21 VAL 28 54.612 7.288 -1.865 231 2HG2 VAL 28 HG23 VAL 28 56.299 7.109 -2.343 232 3HG2 VAL 28 HG22 VAL 28 55.015 6.809 -3.513 233 H ASN 29 HN ASN 29 52.631 7.092 -1.165 234 HA ASN 29 HA ASN 29 50.346 6.875 -2.750 235 1HB ASN 29 HB2 ASN 29 51.973 9.107 -1.707 236 2HB ASN 29 HB1 ASN 29 51.012 9.510 -3.130 237 1HD2 ASN 29 HD22 ASN 29 47.967 9.525 -1.363 238 2HD2 ASN 29 HD21 ASN 29 48.782 9.840 -2.817 239 H ASN 30 HN ASN 30 52.823 9.083 -3.966 240 HA ASN 30 HA ASN 30 52.640 7.680 -6.603 241 1HB ASN 30 HB2 ASN 30 52.703 9.789 -7.727 242 2HB ASN 30 HB1 ASN 30 51.504 9.965 -6.445 243 1HD2 ASN 30 HD22 ASN 30 54.497 12.552 -6.505 244 2HD2 ASN 30 HD21 ASN 30 53.953 11.656 -7.840 245 H ASP 31 HN ASP 31 54.649 8.762 -7.996 246 HA ASP 31 HA ASP 31 57.012 7.707 -6.696 247 1HB ASP 31 HB2 ASP 31 56.267 8.184 -9.313 248 2HB ASP 31 HB1 ASP 31 57.475 9.436 -9.023 249 H GLU 32 HN GLU 32 57.103 9.089 -4.774 250 HA GLU 32 HA GLU 32 58.934 11.250 -5.009 251 1HB GLU 32 HB2 GLU 32 56.534 12.125 -5.886 252 2HB GLU 32 HB1 GLU 32 56.340 12.428 -4.159 253 1HG GLU 32 HG2 GLU 32 58.800 13.425 -4.431 254 2HG GLU 32 HG1 GLU 32 58.259 13.651 -6.095 255 H THR 33 HN THR 33 57.772 12.796 -2.778 256 HA THR 33 HA THR 33 58.843 11.319 -0.585 257 HB THR 33 HB THR 33 57.215 13.111 0.650 258 HG1 THR 33 HG1 THR 33 57.052 14.898 -0.731 259 1HG2 THR 33 HG22 THR 33 59.908 13.319 -0.644 260 2HG2 THR 33 HG21 THR 33 59.198 14.769 0.064 261 3HG2 THR 33 HG23 THR 33 59.487 13.347 1.067 262 H CYS 34 HN CYS 34 57.824 9.264 -0.570 263 HA CYS 34 HA CYS 34 55.120 8.644 -0.675 264 1HB CYS 34 HB2 CYS 34 55.904 7.009 1.403 265 2HB CYS 34 HB1 CYS 34 56.069 6.631 -0.300 266 H GLU 35 HN GLU 35 56.318 8.300 2.601 267 HA GLU 35 HA GLU 35 53.867 9.342 3.716 268 1HB GLU 35 HB2 GLU 35 56.499 8.912 5.142 269 2HB GLU 35 HB1 GLU 35 54.903 8.944 5.876 270 1HG GLU 35 HG2 GLU 35 55.459 6.985 3.676 271 2HG GLU 35 HG1 GLU 35 56.011 6.631 5.316 272 H GLN 36 HN GLN 36 57.129 10.675 3.289 273 HA GLN 36 HA GLN 36 56.923 13.043 4.772 274 1HB GLN 36 HB2 GLN 36 58.990 12.655 3.645 275 2HB GLN 36 HB1 GLN 36 58.194 12.476 2.084 276 1HG GLN 36 HG2 GLN 36 57.980 14.744 1.775 277 2HG GLN 36 HG1 GLN 36 57.807 15.068 3.499 278 1HE2 GLN 36 HE22 GLN 36 61.514 14.638 3.883 279 2HE2 GLN 36 HE21 GLN 36 60.155 13.829 4.501 280 H ARG 37 HN ARG 37 55.436 12.088 1.753 281 HA ARG 37 HA ARG 37 54.158 14.736 1.407 282 1HB ARG 37 HB2 ARG 37 54.916 13.310 -0.565 283 2HB ARG 37 HB1 ARG 37 53.605 12.200 -0.160 284 1HG ARG 37 HG2 ARG 37 52.639 13.633 -1.770 285 2HG ARG 37 HG1 ARG 37 52.082 14.298 -0.233 286 1HD ARG 37 HD2 ARG 37 54.092 15.851 -0.305 287 2HD ARG 37 HD1 ARG 37 54.355 15.306 -1.961 288 HE ARG 37 HE ARG 37 52.698 16.872 -2.530 289 1HH1 ARG 37 HH12 ARG 37 52.578 17.058 0.720 290 2HH1 ARG 37 HH11 ARG 37 50.857 17.181 0.874 291 1HH2 ARG 37 HH21 ARG 37 50.234 16.327 -2.428 292 2HH2 ARG 37 HH22 ARG 37 49.531 16.766 -0.908 293 H ALA 38 HN ALA 38 53.455 11.477 2.550 294 HA ALA 38 HA ALA 38 50.701 11.359 2.698 295 1HB ALA 38 HB2 ALA 38 52.724 10.695 4.863 296 2HB ALA 38 HB1 ALA 38 51.021 10.257 4.962 297 3HB ALA 38 HB3 ALA 38 52.030 9.583 3.685 298 H ALA 39 HN ALA 39 52.730 12.805 5.221 299 HA ALA 39 HA ALA 39 51.380 15.285 5.377 300 1HB ALA 39 HB2 ALA 39 50.204 13.112 7.127 301 2HB ALA 39 HB1 ALA 39 50.046 14.824 7.520 302 3HB ALA 39 HB3 ALA 39 49.350 14.194 6.027 303 H ARG 40 HN ARG 40 52.641 12.652 7.308 304 HA ARG 40 HA ARG 40 55.032 13.947 8.115 305 1HB ARG 40 HB2 ARG 40 52.665 14.657 9.680 306 2HB ARG 40 HB1 ARG 40 53.924 13.908 10.663 307 1HG ARG 40 HG2 ARG 40 55.574 15.513 9.641 308 2HG ARG 40 HG1 ARG 40 54.216 16.336 8.876 309 1HD ARG 40 HD2 ARG 40 53.395 17.150 10.885 310 2HD ARG 40 HD1 ARG 40 54.087 15.825 11.822 311 HE ARG 40 HE ARG 40 56.206 16.980 11.819 312 1HH1 ARG 40 HH21 ARG 40 55.646 18.182 9.005 313 2HH1 ARG 40 HH22 ARG 40 55.609 19.868 9.399 314 1HH2 ARG 40 HH12 ARG 40 55.318 19.334 12.814 315 2HH2 ARG 40 HH11 ARG 40 55.424 20.521 11.556 316 H ILE 41 HN ILE 41 56.109 11.996 8.100 317 HA ILE 41 HA ILE 41 54.999 9.492 8.646 318 HB ILE 41 HB ILE 41 57.324 9.824 7.761 319 1HG1 ILE 41 HG12 ILE 41 58.233 7.869 9.020 320 2HG1 ILE 41 HG11 ILE 41 56.932 8.062 10.193 321 1HG2 ILE 41 HG22 ILE 41 57.792 11.507 9.733 322 2HG2 ILE 41 HG21 ILE 41 58.222 10.043 10.618 323 3HG2 ILE 41 HG23 ILE 41 59.089 10.469 9.144 324 1HD1 ILE 41 HD13 ILE 41 56.275 7.870 7.267 325 2HD1 ILE 41 HD12 ILE 41 56.590 6.401 8.192 326 3HD1 ILE 41 HD11 ILE 41 55.268 7.472 8.660 327 H SER 42 HN SER 42 53.605 9.413 10.311 328 HA SER 42 HA SER 42 54.895 9.597 12.947 329 1HB SER 42 HB2 SER 42 53.245 10.903 13.877 330 2HB SER 42 HB1 SER 42 53.241 11.543 12.231 331 HG SER 42 HG SER 42 51.428 10.435 11.802 332 H LEU 43 HN LEU 43 54.776 7.288 11.662 333 HA LEU 43 HA LEU 43 52.492 5.938 12.958 334 1HB LEU 43 HB2 LEU 43 54.195 5.127 10.590 335 2HB LEU 43 HB1 LEU 43 53.105 4.002 11.400 336 HG LEU 43 HG LEU 43 51.635 6.387 10.929 337 1HD1 LEU 43 HD12 LEU 43 53.410 6.863 9.219 338 2HD1 LEU 43 HD11 LEU 43 52.999 5.342 8.430 339 3HD1 LEU 43 HD13 LEU 43 51.809 6.641 8.517 340 1HD2 LEU 43 HD22 LEU 43 51.403 3.588 10.637 341 2HD2 LEU 43 HD21 LEU 43 50.125 4.786 10.435 342 3HD2 LEU 43 HD23 LEU 43 51.074 4.265 9.042 343 H GLY 44 HN GLY 44 55.798 6.538 13.119 344 1HA GLY 44 HA2 GLY 44 56.517 5.516 15.469 345 2HA GLY 44 HA1 GLY 44 56.400 4.009 14.560 346 HA PRO 45 HA PRO 45 60.678 5.891 13.869 347 1HB PRO 45 HB2 PRO 45 62.061 4.066 15.327 348 2HB PRO 45 HB1 PRO 45 61.380 5.537 16.031 349 1HG PRO 45 HG2 PRO 45 60.468 2.740 16.300 350 2HG PRO 45 HG1 PRO 45 60.310 4.095 17.425 351 1HD PRO 45 HD2 PRO 45 58.303 3.091 15.756 352 2HD PRO 45 HD1 PRO 45 58.254 4.620 16.633 353 H ARG 46 HN ARG 46 60.242 2.366 14.390 354 HA ARG 46 HA ARG 46 61.930 1.475 12.346 355 1HB ARG 46 HB2 ARG 46 60.954 -0.611 12.619 356 2HB ARG 46 HB1 ARG 46 60.452 0.168 14.114 357 1HG ARG 46 HG2 ARG 46 58.750 0.118 11.602 358 2HG ARG 46 HG1 ARG 46 58.602 -1.055 12.908 359 1HD ARG 46 HD2 ARG 46 58.589 1.743 13.819 360 2HD ARG 46 HD1 ARG 46 57.225 1.317 12.787 361 HE ARG 46 HE ARG 46 57.090 -0.728 14.483 362 1HH1 ARG 46 HH21 ARG 46 58.282 -0.416 16.785 363 2HH1 ARG 46 HH22 ARG 46 57.536 0.871 17.673 364 1HH2 ARG 46 HH12 ARG 46 55.957 2.224 14.899 365 2HH2 ARG 46 HH11 ARG 46 56.221 2.366 16.604 366 H CYS 47 HN CYS 47 58.795 2.955 12.126 367 HA CYS 47 HA CYS 47 58.146 2.186 9.412 368 1HB CYS 47 HB2 CYS 47 56.997 3.766 11.495 369 2HB CYS 47 HB1 CYS 47 57.113 4.786 10.059 370 H ILE 48 HN ILE 48 59.506 5.210 10.757 371 HA ILE 48 HA ILE 48 59.855 6.738 8.533 372 HB ILE 48 HB ILE 48 62.327 6.320 10.185 373 1HG1 ILE 48 HG12 ILE 48 60.628 6.165 11.889 374 2HG1 ILE 48 HG11 ILE 48 61.237 7.817 11.927 375 1HG2 ILE 48 HG23 ILE 48 61.670 8.129 8.302 376 2HG2 ILE 48 HG22 ILE 48 61.016 8.948 9.720 377 3HG2 ILE 48 HG21 ILE 48 62.725 8.517 9.661 378 1HD1 ILE 48 HD13 ILE 48 59.334 8.537 10.511 379 2HD1 ILE 48 HD12 ILE 48 58.711 6.888 10.533 380 3HD1 ILE 48 HD11 ILE 48 58.788 7.821 12.026 381 H LYS 49 HN LYS 49 62.413 4.363 9.430 382 HA LYS 49 HA LYS 49 63.482 4.491 6.708 383 1HB LYS 49 HB2 LYS 49 65.193 2.944 7.552 384 2HB LYS 49 HB1 LYS 49 64.987 4.311 8.650 385 1HG LYS 49 HG2 LYS 49 64.487 2.902 10.327 386 2HG LYS 49 HG1 LYS 49 63.120 2.279 9.402 387 1HD LYS 49 HD2 LYS 49 65.478 1.186 8.247 388 2HD LYS 49 HD1 LYS 49 65.611 0.979 9.994 389 1HE LYS 49 HE2 LYS 49 63.173 0.205 8.367 390 2HE LYS 49 HE1 LYS 49 64.432 -0.923 8.868 391 1HZ LYS 49 HZ2 LYS 49 63.898 0.193 11.191 392 2HZ LYS 49 HZ1 LYS 49 62.378 0.399 10.460 393 3HZ LYS 49 HZ3 LYS 49 63.040 -1.155 10.616 394 H ALA 50 HN ALA 50 61.241 2.406 8.396 395 HA ALA 50 HA ALA 50 61.703 0.092 6.731 396 1HB ALA 50 HB3 ALA 50 59.283 0.937 8.357 397 2HB ALA 50 HB2 ALA 50 59.442 -0.625 7.555 398 3HB ALA 50 HB1 ALA 50 60.543 -0.188 8.862 399 H PHE 51 HN PHE 51 59.014 2.400 6.855 400 HA PHE 51 HA PHE 51 58.038 1.745 4.295 401 1HB PHE 51 HB2 PHE 51 56.431 3.310 4.695 402 2HB PHE 51 HB1 PHE 51 57.031 3.193 6.340 403 HD1 PHE 51 HD2 PHE 51 57.445 5.123 3.149 404 HD2 PHE 51 HD1 PHE 51 57.948 5.091 7.401 405 HE1 PHE 51 HE2 PHE 51 58.088 7.521 3.111 406 HE2 PHE 51 HE1 PHE 51 58.601 7.464 7.351 407 HZ PHE 51 HZ PHE 51 58.660 8.685 5.220 408 H THR 52 HN THR 52 60.078 4.480 5.392 409 HA THR 52 HA THR 52 60.343 5.741 2.906 410 HB THR 52 HB THR 52 62.404 5.411 5.100 411 HG1 THR 52 HG1 THR 52 61.711 7.707 5.311 412 1HG2 THR 52 HG23 THR 52 62.573 6.642 2.435 413 2HG2 THR 52 HG22 THR 52 63.037 7.720 3.751 414 3HG2 THR 52 HG21 THR 52 63.863 6.175 3.543 415 H GLU 53 HN GLU 53 62.249 3.064 4.214 416 HA GLU 53 HA GLU 53 64.046 2.767 2.045 417 1HB GLU 53 HB2 GLU 53 64.504 1.693 4.143 418 2HB GLU 53 HB1 GLU 53 62.993 0.796 4.046 419 1HG GLU 53 HG2 GLU 53 65.053 -0.529 3.395 420 2HG GLU 53 HG1 GLU 53 63.769 -0.500 2.187 421 H CYS 54 HN CYS 54 61.171 0.765 2.772 422 HA CYS 54 HA CYS 54 61.206 -0.668 0.326 423 1HB CYS 54 HB2 CYS 54 59.159 -0.104 2.417 424 2HB CYS 54 HB1 CYS 54 58.608 -0.762 0.873 425 H CYS 55 HN CYS 55 60.033 2.512 1.079 426 HA CYS 55 HA CYS 55 58.486 2.737 -1.394 427 1HB CYS 55 HB2 CYS 55 57.504 4.148 0.118 428 2HB CYS 55 HB1 CYS 55 58.987 4.357 1.028 429 H VAL 56 HN VAL 56 61.742 3.371 -0.300 430 HA VAL 56 HA VAL 56 62.379 5.120 -2.556 431 HB VAL 56 HB VAL 56 64.199 3.610 -0.645 432 1HG1 VAL 56 HG11 VAL 56 64.785 4.864 -3.081 433 2HG1 VAL 56 HG13 VAL 56 65.256 6.032 -1.846 434 3HG1 VAL 56 HG12 VAL 56 65.939 4.406 -1.828 435 1HG2 VAL 56 HG23 VAL 56 62.481 5.710 -0.081 436 2HG2 VAL 56 HG22 VAL 56 63.926 5.298 0.842 437 3HG2 VAL 56 HG21 VAL 56 64.006 6.530 -0.419 438 H VAL 57 HN VAL 57 62.987 1.745 -1.658 439 HA VAL 57 HA VAL 57 64.355 1.048 -4.080 440 HB VAL 57 HB VAL 57 63.842 -1.277 -3.379 441 1HG1 VAL 57 HG11 VAL 57 65.356 0.626 -1.994 442 2HG1 VAL 57 HG13 VAL 57 64.454 -0.218 -0.735 443 3HG1 VAL 57 HG12 VAL 57 65.492 -1.125 -1.835 444 1HG2 VAL 57 HG22 VAL 57 62.157 0.111 -1.272 445 2HG2 VAL 57 HG21 VAL 57 61.556 -0.919 -2.570 446 3HG2 VAL 57 HG23 VAL 57 62.536 -1.612 -1.277 447 H ALA 58 HN ALA 58 61.045 0.940 -2.887 448 HA ALA 58 HA ALA 58 59.852 -0.138 -5.262 449 1HB ALA 58 HB1 ALA 58 58.758 1.690 -3.099 450 2HB ALA 58 HB3 ALA 58 57.766 0.936 -4.348 451 3HB ALA 58 HB2 ALA 58 58.599 -0.067 -3.159 452 H SER 59 HN SER 59 61.048 2.913 -4.218 453 HA SER 59 HA SER 59 59.753 4.685 -6.011 454 1HB SER 59 HB2 SER 59 61.625 4.840 -4.023 455 2HB SER 59 HB1 SER 59 62.532 5.332 -5.447 456 HG SER 59 HG SER 59 60.626 6.661 -4.066 457 H GLN 60 HN GLN 60 62.953 3.158 -6.219 458 HA GLN 60 HA GLN 60 63.476 3.990 -8.925 459 1HB GLN 60 HB2 GLN 60 64.799 2.538 -6.826 460 2HB GLN 60 HB1 GLN 60 64.924 1.636 -8.338 461 1HG GLN 60 HG2 GLN 60 66.038 3.387 -9.435 462 2HG GLN 60 HG1 GLN 60 65.423 4.598 -8.306 463 1HE2 GLN 60 HE22 GLN 60 67.966 4.003 -5.866 464 2HE2 GLN 60 HE21 GLN 60 66.412 4.642 -6.108 465 H LEU 61 HN LEU 61 61.842 1.292 -7.475 466 HA LEU 61 HA LEU 61 61.916 -0.459 -9.762 467 1HB LEU 61 HB2 LEU 61 60.233 -0.253 -7.270 468 2HB LEU 61 HB1 LEU 61 59.883 -1.463 -8.496 469 HG LEU 61 HG LEU 61 62.396 -1.143 -6.888 470 1HD1 LEU 61 HD13 LEU 61 60.052 -2.904 -6.849 471 2HD1 LEU 61 HD12 LEU 61 61.582 -3.782 -6.834 472 3HD1 LEU 61 HD11 LEU 61 61.237 -2.589 -5.582 473 1HD2 LEU 61 HD23 LEU 61 61.876 -2.580 -9.464 474 2HD2 LEU 61 HD22 LEU 61 63.325 -1.723 -8.941 475 3HD2 LEU 61 HD21 LEU 61 62.962 -3.321 -8.288 476 H ARG 62 HN ARG 62 59.815 2.112 -8.602 477 HA ARG 62 HA ARG 62 58.066 1.722 -10.956 478 1HB ARG 62 HB2 ARG 62 56.447 3.102 -9.841 479 2HB ARG 62 HB1 ARG 62 57.068 1.965 -8.643 480 1HG ARG 62 HG2 ARG 62 58.532 3.636 -7.708 481 2HG ARG 62 HG1 ARG 62 58.171 4.761 -9.017 482 1HD ARG 62 HD2 ARG 62 56.910 5.306 -6.943 483 2HD ARG 62 HD1 ARG 62 55.841 4.913 -8.287 484 HE ARG 62 HE ARG 62 56.474 3.014 -6.061 485 1HH1 ARG 62 HH21 ARG 62 53.992 4.857 -7.184 486 2HH1 ARG 62 HH22 ARG 62 52.873 3.562 -7.452 487 1HH2 ARG 62 HH12 ARG 62 55.240 1.069 -7.004 488 2HH2 ARG 62 HH11 ARG 62 53.580 1.418 -7.351 489 H ALA 63 HN ALA 63 60.792 3.519 -10.144 490 HA ALA 63 HA ALA 63 59.925 5.902 -11.686 491 1HB ALA 63 HB1 ALA 63 62.482 5.308 -10.168 492 2HB ALA 63 HB3 ALA 63 62.133 6.826 -10.994 493 3HB ALA 63 HB2 ALA 63 61.153 6.327 -9.616 494 H ASN 64 HN ASN 64 61.975 3.068 -11.957 495 HA ASN 64 HA ASN 64 63.076 4.097 -14.525 496 1HB ASN 64 HB2 ASN 64 64.335 2.770 -12.515 497 2HB ASN 64 HB1 ASN 64 63.872 1.414 -13.545 498 1HD2 ASN 64 HD22 ASN 64 66.926 2.177 -15.234 499 2HD2 ASN 64 HD21 ASN 64 66.195 1.132 -14.114 500 H ILE 65 HN ILE 65 61.927 0.894 -13.399 501 HA ILE 65 HA ILE 65 61.143 0.106 -16.066 502 HB ILE 65 HB ILE 65 59.964 -1.183 -13.630 503 1HG1 ILE 65 HG12 ILE 65 62.435 -2.411 -13.966 504 2HG1 ILE 65 HG11 ILE 65 62.814 -0.692 -14.091 505 1HG2 ILE 65 HG22 ILE 65 60.601 -1.843 -16.412 506 2HG2 ILE 65 HG21 ILE 65 61.164 -3.067 -15.274 507 3HG2 ILE 65 HG23 ILE 65 59.460 -2.613 -15.310 508 1HD1 ILE 65 HD12 ILE 65 61.606 -0.282 -11.968 509 2HD1 ILE 65 HD11 ILE 65 61.269 -2.009 -11.837 510 3HD1 ILE 65 HD13 ILE 65 62.931 -1.425 -11.747 511 H SER 66 HN SER 66 58.646 -0.911 -15.987 512 HA SER 66 HA SER 66 56.664 0.803 -14.793 513 1HB SER 66 HB2 SER 66 57.826 1.649 -17.336 514 2HB SER 66 HB1 SER 66 56.084 1.415 -17.448 515 HG SER 66 HG SER 66 57.413 3.425 -16.344 516 H HIS 67 HN HIS 67 57.288 -2.058 -15.385 517 HA HIS 67 HA HIS 67 54.602 -2.784 -16.381 518 1HB HIS 67 HB2 HIS 67 55.430 -4.333 -18.037 519 2HB HIS 67 HB1 HIS 67 56.161 -2.761 -18.361 520 HD1 HIS 67 HD1 HIS 67 58.659 -2.437 -17.327 521 HD2 HIS 67 HD2 HIS 67 57.282 -6.362 -17.618 522 HE1 HIS 67 HE1 HIS 67 60.697 -3.928 -17.130 523 H LYS 68 HN LYS 68 55.702 -5.630 -16.639 524 HA LYS 68 HA LYS 68 54.962 -6.806 -14.302 525 1HB LYS 68 HB2 LYS 68 57.330 -7.457 -16.059 526 2HB LYS 68 HB1 LYS 68 56.915 -8.462 -14.670 527 1HG LYS 68 HG2 LYS 68 54.470 -8.168 -15.866 528 2HG LYS 68 HG1 LYS 68 55.542 -8.190 -17.267 529 1HD LYS 68 HD2 LYS 68 56.573 -10.281 -16.431 530 2HD LYS 68 HD1 LYS 68 55.463 -10.269 -15.060 531 1HE LYS 68 HE2 LYS 68 54.462 -11.721 -16.664 532 2HE LYS 68 HE1 LYS 68 53.569 -10.204 -16.786 533 1HZ LYS 68 HZ1 LYS 68 55.867 -10.211 -18.469 534 2HZ LYS 68 HZ3 LYS 68 54.845 -11.518 -18.824 535 3HZ LYS 68 HZ2 LYS 68 54.239 -9.931 -18.867 536 H ASP 69 HN ASP 69 58.232 -5.476 -14.809 537 HA ASP 69 HA ASP 69 59.186 -5.933 -12.185 538 1HB ASP 69 HB2 ASP 69 60.032 -4.431 -14.551 539 2HB ASP 69 HB1 ASP 69 60.430 -3.596 -13.050 540 H MET 70 HN MET 70 57.913 -2.929 -13.681 541 HA MET 70 HA MET 70 57.633 -1.604 -11.113 542 1HB MET 70 HB2 MET 70 57.911 -0.111 -12.904 543 2HB MET 70 HB1 MET 70 56.779 -0.985 -13.931 544 1HG MET 70 HG2 MET 70 55.953 1.240 -12.951 545 2HG MET 70 HG1 MET 70 54.891 -0.152 -12.748 546 1HE MET 70 HE1 MET 70 53.753 -0.485 -11.079 547 2HE MET 70 HE3 MET 70 54.017 -0.182 -9.356 548 3HE MET 70 HE2 MET 70 53.605 1.148 -10.436 549 H GLN 71 HN GLN 71 55.007 -2.249 -13.470 550 HA GLN 71 HA GLN 71 52.800 -2.050 -11.888 551 1HB GLN 71 HB2 GLN 71 52.731 -2.800 -14.251 552 2HB GLN 71 HB1 GLN 71 53.295 -4.394 -13.749 553 1HG GLN 71 HG2 GLN 71 51.286 -4.952 -12.766 554 2HG GLN 71 HG1 GLN 71 50.902 -3.281 -12.356 555 1HE2 GLN 71 HE22 GLN 71 49.958 -2.657 -15.917 556 2HE2 GLN 71 HE21 GLN 71 51.110 -2.013 -14.851 557 H LEU 72 HN LEU 72 55.102 -4.763 -11.777 558 HA LEU 72 HA LEU 72 53.593 -5.822 -9.416 559 1HB LEU 72 HB2 LEU 72 54.846 -7.093 -11.684 560 2HB LEU 72 HB1 LEU 72 55.585 -7.670 -10.190 561 HG LEU 72 HG LEU 72 53.338 -8.170 -9.305 562 1HD1 LEU 72 HD13 LEU 72 52.319 -6.316 -10.753 563 2HD1 LEU 72 HD12 LEU 72 52.318 -7.499 -12.061 564 3HD1 LEU 72 HD11 LEU 72 51.381 -7.801 -10.598 565 1HD2 LEU 72 HD23 LEU 72 54.580 -9.428 -11.612 566 2HD2 LEU 72 HD22 LEU 72 53.773 -10.185 -10.238 567 3HD2 LEU 72 HD21 LEU 72 52.832 -9.662 -11.636 568 H GLY 73 HN GLY 73 56.970 -6.184 -10.389 569 1HA GLY 73 HA2 GLY 73 58.249 -6.278 -8.001 570 2HA GLY 73 HA1 GLY 73 58.941 -5.404 -9.368 571 H ARG 74 HN ARG 74 57.037 -3.336 -9.549 572 HA ARG 74 HA ARG 74 57.195 -1.077 -8.758 573 1HB ARG 74 HB2 ARG 74 55.513 -0.804 -6.978 574 2HB ARG 74 HB1 ARG 74 54.959 -1.937 -8.210 575 1HG ARG 74 HG2 ARG 74 54.558 -3.371 -6.512 576 2HG ARG 74 HG1 ARG 74 56.305 -3.562 -6.398 577 1HD ARG 74 HD2 ARG 74 55.827 -2.911 -4.226 578 2HD ARG 74 HD1 ARG 74 56.120 -1.337 -4.965 579 HE ARG 74 HE ARG 74 53.889 -0.849 -4.426 580 1HH1 ARG 74 HH21 ARG 74 54.367 -4.234 -4.410 581 2HH1 ARG 74 HH22 ARG 74 52.679 -4.620 -4.464 582 1HH2 ARG 74 HH12 ARG 74 51.663 -1.321 -4.789 583 2HH2 ARG 74 HH11 ARG 74 51.148 -2.971 -4.678 No H/Q in entry = 583 Start of MODEL 13 1 H MET 1 HN MET 1 55.752 -10.569 -10.794 2 HA MET 1 HA MET 1 55.407 -11.030 -8.002 3 1HB MET 1 HB2 MET 1 57.496 -9.179 -9.111 4 2HB MET 1 HB1 MET 1 57.602 -10.274 -7.733 5 1HG MET 1 HG2 MET 1 58.434 -11.870 -9.076 6 2HG MET 1 HG1 MET 1 56.931 -11.850 -9.996 7 1HE MET 1 HE2 MET 1 60.291 -11.420 -9.581 8 2HE MET 1 HE1 MET 1 60.555 -11.900 -11.255 9 3HE MET 1 HE3 MET 1 60.986 -10.270 -10.721 10 H LEU 2 HN LEU 2 53.350 -9.749 -7.757 11 HA LEU 2 HA LEU 2 53.435 -6.871 -7.851 12 1HB LEU 2 HB2 LEU 2 51.370 -8.423 -7.818 13 2HB LEU 2 HB1 LEU 2 51.608 -8.473 -6.071 14 HG LEU 2 HG LEU 2 51.727 -5.857 -6.293 15 1HD1 LEU 2 HD11 LEU 2 50.873 -6.756 -8.954 16 2HD1 LEU 2 HD13 LEU 2 49.786 -5.566 -8.239 17 3HD1 LEU 2 HD12 LEU 2 51.496 -5.186 -8.446 18 1HD2 LEU 2 HD21 LEU 2 49.515 -7.762 -6.020 19 2HD2 LEU 2 HD23 LEU 2 49.883 -6.329 -5.061 20 3HD2 LEU 2 HD22 LEU 2 48.983 -6.173 -6.570 21 H GLN 3 HN GLN 3 55.272 -8.808 -5.962 22 HA GLN 3 HA GLN 3 55.980 -6.777 -4.103 23 1HB GLN 3 HB2 GLN 3 54.892 -7.449 -2.075 24 2HB GLN 3 HB1 GLN 3 53.621 -7.341 -3.292 25 1HG GLN 3 HG2 GLN 3 54.311 -9.907 -3.662 26 2HG GLN 3 HG1 GLN 3 54.763 -9.746 -1.964 27 1HE2 GLN 3 HE22 GLN 3 51.194 -8.554 -1.374 28 2HE2 GLN 3 HE21 GLN 3 52.674 -7.725 -1.367 29 H LYS 4 HN LYS 4 57.514 -8.423 -5.588 30 HA LYS 4 HA LYS 4 58.398 -10.588 -3.739 31 1HB LYS 4 HB2 LYS 4 57.752 -11.157 -6.103 32 2HB LYS 4 HB1 LYS 4 59.126 -10.198 -6.645 33 1HG LYS 4 HG2 LYS 4 59.557 -12.683 -6.459 34 2HG LYS 4 HG1 LYS 4 60.674 -11.651 -5.577 35 1HD LYS 4 HD2 LYS 4 58.262 -12.506 -4.081 36 2HD LYS 4 HD1 LYS 4 59.421 -13.781 -4.457 37 1HE LYS 4 HE2 LYS 4 61.233 -12.319 -3.504 38 2HE LYS 4 HE1 LYS 4 59.976 -11.197 -2.985 39 1HZ LYS 4 HZ2 LYS 4 59.856 -14.052 -2.257 40 2HZ LYS 4 HZ1 LYS 4 60.775 -12.958 -1.337 41 3HZ LYS 4 HZ3 LYS 4 59.102 -12.728 -1.504 42 H LYS 5 HN LYS 5 59.214 -7.470 -4.138 43 HA LYS 5 HA LYS 5 62.067 -8.063 -3.582 44 1HB LYS 5 HB2 LYS 5 62.696 -6.911 -5.417 45 2HB LYS 5 HB1 LYS 5 61.010 -6.613 -5.823 46 1HG LYS 5 HG2 LYS 5 60.989 -4.537 -4.764 47 2HG LYS 5 HG1 LYS 5 62.341 -4.941 -3.725 48 1HD LYS 5 HD2 LYS 5 62.603 -4.636 -6.723 49 2HD LYS 5 HD1 LYS 5 62.923 -3.329 -5.583 50 1HE LYS 5 HE2 LYS 5 64.333 -5.525 -4.564 51 2HE LYS 5 HE1 LYS 5 64.611 -5.576 -6.305 52 1HZ LYS 5 HZ1 LYS 5 64.997 -3.048 -6.003 53 2HZ LYS 5 HZ3 LYS 5 65.278 -3.455 -4.381 54 3HZ LYS 5 HZ2 LYS 5 66.238 -4.139 -5.605 55 H ILE 6 HN ILE 6 59.209 -6.115 -3.028 56 HA ILE 6 HA ILE 6 60.577 -4.631 -0.850 57 HB ILE 6 HB ILE 6 57.685 -4.295 -1.605 58 1HG1 ILE 6 HG12 ILE 6 59.259 -4.343 -3.663 59 2HG1 ILE 6 HG11 ILE 6 58.202 -2.942 -3.475 60 1HG2 ILE 6 HG21 ILE 6 59.880 -2.615 -0.409 61 2HG2 ILE 6 HG23 ILE 6 58.451 -1.859 -1.113 62 3HG2 ILE 6 HG22 ILE 6 58.281 -2.970 0.245 63 1HD1 ILE 6 HD13 ILE 6 60.116 -1.765 -2.318 64 2HD1 ILE 6 HD12 ILE 6 61.142 -3.128 -2.763 65 3HD1 ILE 6 HD11 ILE 6 60.410 -2.127 -4.016 66 H GLU 7 HN GLU 7 58.283 -7.203 -1.456 67 HA GLU 7 HA GLU 7 57.197 -7.233 1.254 68 1HB GLU 7 HB2 GLU 7 56.004 -8.207 -0.743 69 2HB GLU 7 HB1 GLU 7 57.239 -9.464 -0.803 70 1HG GLU 7 HG2 GLU 7 56.052 -10.635 0.697 71 2HG GLU 7 HG1 GLU 7 56.366 -9.363 1.879 72 H GLU 8 HN GLU 8 59.956 -8.474 -0.420 73 HA GLU 8 HA GLU 8 60.654 -10.536 1.480 74 1HB GLU 8 HB2 GLU 8 62.835 -10.514 0.338 75 2HB GLU 8 HB1 GLU 8 61.528 -10.475 -0.848 76 1HG GLU 8 HG2 GLU 8 61.756 -8.048 -1.083 77 2HG GLU 8 HG1 GLU 8 63.001 -8.037 0.182 78 H ILE 9 HN ILE 9 61.573 -7.121 1.036 79 HA ILE 9 HA ILE 9 63.389 -7.126 3.296 80 HB ILE 9 HB ILE 9 63.705 -5.451 1.567 81 1HG1 ILE 9 HG12 ILE 9 63.933 -3.514 2.933 82 2HG1 ILE 9 HG11 ILE 9 62.549 -3.960 3.930 83 1HG2 ILE 9 HG22 ILE 9 60.877 -4.628 2.267 84 2HG2 ILE 9 HG21 ILE 9 61.960 -3.680 1.246 85 3HG2 ILE 9 HG23 ILE 9 61.439 -5.284 0.729 86 1HD1 ILE 9 HD11 ILE 9 64.745 -5.948 3.850 87 2HD1 ILE 9 HD13 ILE 9 65.131 -4.427 4.654 88 3HD1 ILE 9 HD12 ILE 9 63.771 -5.400 5.215 89 H ALA 10 HN ALA 10 60.005 -6.419 2.756 90 HA ALA 10 HA ALA 10 59.418 -5.233 5.289 91 1HB ALA 10 HB3 ALA 10 57.967 -6.250 3.010 92 2HB ALA 10 HB2 ALA 10 57.204 -6.796 4.504 93 3HB ALA 10 HB1 ALA 10 57.445 -5.072 4.215 94 H ALA 11 HN ALA 11 59.519 -8.575 4.137 95 HA ALA 11 HA ALA 11 58.697 -9.680 6.703 96 1HB ALA 11 HB2 ALA 11 59.264 -10.672 4.027 97 2HB ALA 11 HB1 ALA 11 59.992 -11.697 5.263 98 3HB ALA 11 HB3 ALA 11 58.258 -11.380 5.290 99 H LYS 12 HN LYS 12 61.735 -8.782 5.166 100 HA LYS 12 HA LYS 12 63.247 -10.310 7.205 101 1HB LYS 12 HB2 LYS 12 65.178 -9.870 5.984 102 2HB LYS 12 HB1 LYS 12 63.962 -9.847 4.712 103 1HG LYS 12 HG2 LYS 12 64.751 -7.803 4.185 104 2HG LYS 12 HG1 LYS 12 63.968 -7.228 5.658 105 1HD LYS 12 HD2 LYS 12 66.145 -6.526 6.044 106 2HD LYS 12 HD1 LYS 12 66.204 -8.129 6.777 107 1HE LYS 12 HE2 LYS 12 67.613 -8.932 5.186 108 2HE LYS 12 HE1 LYS 12 66.742 -8.124 3.882 109 1HZ LYS 12 HZ1 LYS 12 67.783 -6.026 4.606 110 2HZ LYS 12 HZ3 LYS 12 68.701 -6.890 5.741 111 3HZ LYS 12 HZ2 LYS 12 68.917 -7.178 4.080 112 H TYR 13 HN TYR 13 61.532 -8.483 8.362 113 HA TYR 13 HA TYR 13 63.377 -6.344 9.320 114 1HB TYR 13 HB2 TYR 13 60.396 -6.478 8.988 115 2HB TYR 13 HB1 TYR 13 61.098 -5.388 10.182 116 HD1 TYR 13 HD1 TYR 13 63.564 -4.478 8.988 117 HD2 TYR 13 HD2 TYR 13 59.763 -5.197 7.127 118 HE1 TYR 13 HE1 TYR 13 64.141 -2.867 7.191 119 HE2 TYR 13 HE2 TYR 13 60.340 -3.591 5.330 120 HH TYR 13 HH TYR 13 61.780 -1.862 4.801 121 H LYS 14 HN LYS 14 63.697 -6.146 11.529 122 HA LYS 14 HA LYS 14 63.061 -8.519 13.138 123 1HB LYS 14 HB2 LYS 14 65.142 -6.633 13.103 124 2HB LYS 14 HB1 LYS 14 64.286 -6.348 14.618 125 1HG LYS 14 HG2 LYS 14 64.406 -8.812 15.080 126 2HG LYS 14 HG1 LYS 14 65.416 -8.986 13.643 127 1HD LYS 14 HD2 LYS 14 66.741 -6.981 14.872 128 2HD LYS 14 HD1 LYS 14 66.073 -7.795 16.286 129 1HE LYS 14 HE2 LYS 14 67.708 -9.331 16.118 130 2HE LYS 14 HE1 LYS 14 67.017 -9.839 14.577 131 1HZ LYS 14 HZ3 LYS 14 68.862 -7.535 14.828 132 2HZ LYS 14 HZ2 LYS 14 69.404 -9.116 14.520 133 3HZ LYS 14 HZ1 LYS 14 68.381 -8.334 13.412 134 H HIS 15 HN HIS 15 60.710 -7.187 12.480 135 HA HIS 15 HA HIS 15 59.524 -6.776 15.049 136 1HB HIS 15 HB2 HIS 15 60.838 -4.473 13.984 137 2HB HIS 15 HB1 HIS 15 59.100 -4.198 13.877 138 HD1 HIS 15 HD1 HIS 15 61.194 -2.891 15.991 139 HD2 HIS 15 HD2 HIS 15 58.417 -5.907 16.748 140 HE1 HIS 15 HE1 HIS 15 60.745 -2.844 18.484 141 H SER 16 HN SER 16 57.724 -7.895 14.433 142 HA SER 16 HA SER 16 56.523 -8.214 11.995 143 1HB SER 16 HB2 SER 16 55.771 -8.854 14.491 144 2HB SER 16 HB1 SER 16 54.623 -7.552 14.188 145 HG SER 16 HG SER 16 53.563 -8.966 13.065 146 H VAL 17 HN VAL 17 55.993 -5.323 14.070 147 HA VAL 17 HA VAL 17 54.041 -4.088 12.435 148 HB VAL 17 HB VAL 17 56.158 -2.774 14.162 149 1HG1 VAL 17 HG12 VAL 17 53.788 -1.790 12.650 150 2HG1 VAL 17 HG11 VAL 17 54.025 -1.136 14.271 151 3HG1 VAL 17 HG13 VAL 17 55.289 -0.957 13.054 152 1HG2 VAL 17 HG21 VAL 17 54.232 -4.554 14.962 153 2HG2 VAL 17 HG23 VAL 17 54.874 -3.266 15.980 154 3HG2 VAL 17 HG22 VAL 17 53.366 -3.023 15.098 155 H VAL 18 HN VAL 18 57.609 -3.811 12.327 156 HA VAL 18 HA VAL 18 57.872 -1.807 10.390 157 HB VAL 18 HB VAL 18 59.486 -4.349 10.216 158 1HG1 VAL 18 HG11 VAL 18 59.713 -2.208 8.716 159 2HG1 VAL 18 HG13 VAL 18 60.529 -1.547 10.133 160 3HG1 VAL 18 HG12 VAL 18 61.160 -2.993 9.350 161 1HG2 VAL 18 HG23 VAL 18 59.097 -2.864 12.592 162 2HG2 VAL 18 HG22 VAL 18 60.318 -4.096 12.271 163 3HG2 VAL 18 HG21 VAL 18 60.679 -2.403 11.966 164 H LYS 19 HN LYS 19 56.618 -5.034 10.072 165 HA LYS 19 HA LYS 19 56.930 -5.434 7.288 166 1HB LYS 19 HB2 LYS 19 56.105 -7.223 8.707 167 2HB LYS 19 HB1 LYS 19 54.679 -6.278 9.137 168 1HG LYS 19 HG2 LYS 19 54.778 -6.345 6.304 169 2HG LYS 19 HG1 LYS 19 55.072 -7.993 6.859 170 1HD LYS 19 HD2 LYS 19 52.724 -6.218 7.575 171 2HD LYS 19 HD1 LYS 19 52.683 -7.715 6.644 172 1HE LYS 19 HE2 LYS 19 53.988 -8.239 9.140 173 2HE LYS 19 HE1 LYS 19 52.467 -7.410 9.467 174 1HZ LYS 19 HZ2 LYS 19 52.736 -9.765 7.681 175 2HZ LYS 19 HZ1 LYS 19 52.250 -9.850 9.307 176 3HZ LYS 19 HZ3 LYS 19 51.292 -9.022 8.180 177 H LYS 20 HN LYS 20 54.099 -4.034 9.000 178 HA LYS 20 HA LYS 20 52.693 -3.263 6.650 179 1HB LYS 20 HB2 LYS 20 51.515 -3.255 8.734 180 2HB LYS 20 HB1 LYS 20 52.674 -2.142 9.456 181 1HG LYS 20 HG2 LYS 20 51.335 -0.447 8.810 182 2HG LYS 20 HG1 LYS 20 51.745 -0.831 7.136 183 1HD LYS 20 HD2 LYS 20 49.269 -0.815 7.605 184 2HD LYS 20 HD1 LYS 20 49.864 -2.344 6.958 185 1HE LYS 20 HE2 LYS 20 49.084 -3.416 8.773 186 2HE LYS 20 HE1 LYS 20 50.130 -2.437 9.799 187 1HZ LYS 20 HZ3 LYS 20 47.988 -0.843 8.998 188 2HZ LYS 20 HZ2 LYS 20 47.341 -2.319 9.535 189 3HZ LYS 20 HZ1 LYS 20 48.344 -1.406 10.558 190 H CYS 21 HN CYS 21 54.948 -1.422 8.702 191 HA CYS 21 HA CYS 21 54.865 1.068 7.461 192 1HB CYS 21 HB2 CYS 21 57.205 -0.480 8.594 193 2HB CYS 21 HB1 CYS 21 57.349 1.191 8.053 194 H CYS 22 HN CYS 22 56.871 -1.720 6.488 195 HA CYS 22 HA CYS 22 57.886 -0.418 4.119 196 1HB CYS 22 HB2 CYS 22 59.217 -2.211 4.851 197 2HB CYS 22 HB1 CYS 22 57.829 -3.257 5.134 198 H TYR 23 HN TYR 23 55.025 -2.280 4.908 199 HA TYR 23 HA TYR 23 54.193 -3.032 2.326 200 1HB TYR 23 HB2 TYR 23 52.970 -2.733 4.914 201 2HB TYR 23 HB1 TYR 23 51.879 -2.152 3.671 202 HD1 TYR 23 HD2 TYR 23 51.649 -3.638 1.531 203 HD2 TYR 23 HD1 TYR 23 53.111 -4.985 5.327 204 HE1 TYR 23 HE2 TYR 23 51.131 -5.979 0.892 205 HE2 TYR 23 HE1 TYR 23 52.602 -7.291 4.694 206 HH TYR 23 HH TYR 23 50.605 -8.170 2.247 207 H ASP 24 HN ASP 24 53.388 -0.055 4.127 208 HA ASP 24 HA ASP 24 52.146 1.262 1.903 209 1HB ASP 24 HB2 ASP 24 53.570 2.791 4.059 210 2HB ASP 24 HB1 ASP 24 52.029 3.144 3.283 211 H GLY 25 HN GLY 25 55.459 1.477 3.251 212 1HA GLY 25 HA2 GLY 25 56.622 3.380 1.645 213 2HA GLY 25 HA1 GLY 25 57.467 1.885 2.065 214 H ALA 26 HN ALA 26 56.282 -0.058 0.672 215 HA ALA 26 HA ALA 26 57.071 0.386 -2.048 216 1HB ALA 26 HB1 ALA 26 56.466 -1.834 -0.497 217 2HB ALA 26 HB3 ALA 26 55.143 -1.788 -1.660 218 3HB ALA 26 HB2 ALA 26 56.812 -1.859 -2.226 219 H CYS 27 HN CYS 27 53.940 0.472 -0.382 220 HA CYS 27 HA CYS 27 52.498 0.960 -2.904 221 1HB CYS 27 HB2 CYS 27 51.645 0.873 -0.001 222 2HB CYS 27 HB1 CYS 27 50.538 1.292 -1.308 223 HG CYS 27 HG CYS 27 51.953 -1.491 -1.075 224 H VAL 28 HN VAL 28 54.567 2.829 -1.432 225 HA VAL 28 HA VAL 28 53.861 5.174 -0.433 226 HB VAL 28 HB VAL 28 56.040 5.139 -1.293 227 1HG1 VAL 28 HG12 VAL 28 54.829 4.532 -4.004 228 2HG1 VAL 28 HG11 VAL 28 56.551 4.748 -3.692 229 3HG1 VAL 28 HG13 VAL 28 55.686 3.394 -2.965 230 1HG2 VAL 28 HG21 VAL 28 54.622 7.327 -1.803 231 2HG2 VAL 28 HG23 VAL 28 56.271 7.169 -2.408 232 3HG2 VAL 28 HG22 VAL 28 54.904 6.856 -3.478 233 H ASN 29 HN ASN 29 52.454 6.843 -0.766 234 HA ASN 29 HA ASN 29 50.150 6.721 -2.233 235 1HB ASN 29 HB2 ASN 29 50.781 8.561 -0.641 236 2HB ASN 29 HB1 ASN 29 51.738 9.285 -1.935 237 1HD2 ASN 29 HD22 ASN 29 48.862 11.005 -3.020 238 2HD2 ASN 29 HD21 ASN 29 50.498 11.084 -2.572 239 H ASN 30 HN ASN 30 52.711 8.877 -3.487 240 HA ASN 30 HA ASN 30 52.643 7.590 -6.110 241 1HB ASN 30 HB2 ASN 30 50.651 8.791 -6.494 242 2HB ASN 30 HB1 ASN 30 51.213 10.193 -5.584 243 1HD2 ASN 30 HD22 ASN 30 52.517 11.745 -8.452 244 2HD2 ASN 30 HD21 ASN 30 51.928 11.894 -6.867 245 H ASP 31 HN ASP 31 53.111 11.041 -5.657 246 HA ASP 31 HA ASP 31 55.633 11.180 -6.838 247 1HB ASP 31 HB2 ASP 31 54.024 12.899 -5.097 248 2HB ASP 31 HB1 ASP 31 55.757 13.145 -4.883 249 H GLU 32 HN GLU 32 57.756 11.103 -6.067 250 HA GLU 32 HA GLU 32 58.735 9.167 -4.498 251 1HB GLU 32 HB2 GLU 32 59.660 11.985 -4.845 252 2HB GLU 32 HB1 GLU 32 60.485 10.981 -3.652 253 1HG GLU 32 HG2 GLU 32 60.279 9.273 -5.804 254 2HG GLU 32 HG1 GLU 32 60.547 10.830 -6.588 255 H THR 33 HN THR 33 58.187 12.363 -2.923 256 HA THR 33 HA THR 33 58.534 11.596 -0.275 257 HB THR 33 HB THR 33 56.912 13.410 0.301 258 HG1 THR 33 HG1 THR 33 56.214 14.523 -1.768 259 1HG2 THR 33 HG23 THR 33 59.327 13.590 -1.178 260 2HG2 THR 33 HG22 THR 33 58.238 14.817 -1.825 261 3HG2 THR 33 HG21 THR 33 58.628 14.803 -0.106 262 H CYS 34 HN CYS 34 57.767 9.434 -0.033 263 HA CYS 34 HA CYS 34 55.010 8.707 -0.477 264 1HB CYS 34 HB2 CYS 34 55.841 6.953 1.490 265 2HB CYS 34 HB1 CYS 34 55.976 6.677 -0.239 266 H GLU 35 HN GLU 35 56.282 8.235 2.767 267 HA GLU 35 HA GLU 35 53.859 9.086 4.005 268 1HB GLU 35 HB2 GLU 35 56.659 8.970 5.150 269 2HB GLU 35 HB1 GLU 35 55.196 9.145 6.111 270 1HG GLU 35 HG2 GLU 35 55.182 6.924 4.158 271 2HG GLU 35 HG1 GLU 35 56.282 6.739 5.525 272 H GLN 36 HN GLN 36 56.773 10.801 3.053 273 HA GLN 36 HA GLN 36 56.361 13.256 4.405 274 1HB GLN 36 HB2 GLN 36 57.651 12.446 1.826 275 2HB GLN 36 HB1 GLN 36 57.301 14.161 2.059 276 1HG GLN 36 HG2 GLN 36 59.473 13.894 2.940 277 2HG GLN 36 HG1 GLN 36 58.434 13.879 4.364 278 1HE2 GLN 36 HE21 GLN 36 60.114 12.568 5.491 279 2HE2 GLN 36 HE22 GLN 36 60.257 10.910 5.158 280 H ARG 37 HN ARG 37 55.058 11.977 1.357 281 HA ARG 37 HA ARG 37 53.367 14.266 0.828 282 1HB ARG 37 HB2 ARG 37 53.895 12.703 -0.976 283 2HB ARG 37 HB1 ARG 37 53.160 11.374 -0.079 284 1HG ARG 37 HG2 ARG 37 51.141 11.894 -0.919 285 2HG ARG 37 HG1 ARG 37 51.266 13.523 -0.253 286 1HD ARG 37 HD2 ARG 37 52.967 13.221 -2.588 287 2HD ARG 37 HD1 ARG 37 51.292 12.822 -2.970 288 HE ARG 37 HE ARG 37 50.676 15.084 -2.101 289 1HH1 ARG 37 HH21 ARG 37 52.486 16.470 -0.702 290 2HH1 ARG 37 HH22 ARG 37 53.603 17.198 -1.809 291 1HH2 ARG 37 HH12 ARG 37 52.758 15.112 -4.447 292 2HH2 ARG 37 HH11 ARG 37 53.757 16.428 -3.928 293 H ALA 38 HN ALA 38 53.087 11.311 2.726 294 HA ALA 38 HA ALA 38 50.329 11.212 3.227 295 1HB ALA 38 HB1 ALA 38 52.116 9.633 4.142 296 2HB ALA 38 HB3 ALA 38 52.442 10.849 5.374 297 3HB ALA 38 HB2 ALA 38 50.859 10.083 5.291 298 H ALA 39 HN ALA 39 52.612 12.703 5.502 299 HA ALA 39 HA ALA 39 51.481 15.301 5.527 300 1HB ALA 39 HB1 ALA 39 50.225 13.367 7.495 301 2HB ALA 39 HB3 ALA 39 50.169 15.118 7.698 302 3HB ALA 39 HB2 ALA 39 49.397 14.367 6.301 303 H ARG 40 HN ARG 40 52.706 12.685 7.517 304 HA ARG 40 HA ARG 40 55.155 13.952 8.204 305 1HB ARG 40 HB2 ARG 40 52.864 14.736 9.840 306 2HB ARG 40 HB1 ARG 40 54.137 13.974 10.796 307 1HG ARG 40 HG2 ARG 40 55.796 15.529 9.822 308 2HG ARG 40 HG1 ARG 40 54.515 16.302 8.888 309 1HD ARG 40 HD2 ARG 40 53.422 16.422 11.366 310 2HD ARG 40 HD1 ARG 40 55.133 16.510 11.783 311 HE ARG 40 HE ARG 40 54.370 18.329 9.626 312 1HH1 ARG 40 HH21 ARG 40 56.130 18.205 12.374 313 2HH1 ARG 40 HH22 ARG 40 55.584 19.701 13.054 314 1HH2 ARG 40 HH12 ARG 40 53.003 20.101 10.773 315 2HH2 ARG 40 HH11 ARG 40 53.814 20.776 12.147 316 H ILE 41 HN ILE 41 56.248 12.019 8.246 317 HA ILE 41 HA ILE 41 55.128 9.524 8.849 318 HB ILE 41 HB ILE 41 57.422 9.845 7.871 319 1HG1 ILE 41 HG12 ILE 41 58.370 7.892 9.095 320 2HG1 ILE 41 HG11 ILE 41 57.118 8.090 10.319 321 1HG2 ILE 41 HG21 ILE 41 57.972 11.530 9.816 322 2HG2 ILE 41 HG23 ILE 41 58.428 10.068 10.690 323 3HG2 ILE 41 HG22 ILE 41 59.241 10.484 9.182 324 1HD1 ILE 41 HD12 ILE 41 56.328 7.904 7.427 325 2HD1 ILE 41 HD11 ILE 41 56.707 6.430 8.317 326 3HD1 ILE 41 HD13 ILE 41 55.399 7.478 8.864 327 H SER 42 HN SER 42 53.788 9.509 10.570 328 HA SER 42 HA SER 42 55.189 9.612 13.148 329 1HB SER 42 HB2 SER 42 53.672 11.025 14.172 330 2HB SER 42 HB1 SER 42 53.732 11.722 12.550 331 HG SER 42 HG SER 42 51.709 10.367 13.849 332 H LEU 43 HN LEU 43 54.804 7.325 11.881 333 HA LEU 43 HA LEU 43 52.469 6.197 13.298 334 1HB LEU 43 HB2 LEU 43 53.929 5.131 10.861 335 2HB LEU 43 HB1 LEU 43 52.600 4.302 11.673 336 HG LEU 43 HG LEU 43 52.032 7.111 10.984 337 1HD1 LEU 43 HD13 LEU 43 53.450 6.271 9.044 338 2HD1 LEU 43 HD12 LEU 43 52.193 5.067 8.755 339 3HD1 LEU 43 HD11 LEU 43 51.818 6.785 8.615 340 1HD2 LEU 43 HD22 LEU 43 50.625 4.457 10.539 341 2HD2 LEU 43 HD21 LEU 43 50.325 5.591 11.857 342 3HD2 LEU 43 HD23 LEU 43 49.918 6.038 10.201 343 H GLY 44 HN GLY 44 55.812 6.463 13.270 344 1HA GLY 44 HA2 GLY 44 56.459 5.187 15.568 345 2HA GLY 44 HA1 GLY 44 56.322 3.811 14.474 346 HA PRO 45 HA PRO 45 60.617 5.821 14.069 347 1HB PRO 45 HB2 PRO 45 62.005 3.993 15.519 348 2HB PRO 45 HB1 PRO 45 61.273 5.432 16.239 349 1HG PRO 45 HG2 PRO 45 60.401 2.607 16.398 350 2HG PRO 45 HG1 PRO 45 60.215 3.917 17.573 351 1HD PRO 45 HD2 PRO 45 58.226 2.964 15.874 352 2HD PRO 45 HD1 PRO 45 58.181 4.493 16.754 353 H ARG 46 HN ARG 46 60.109 2.283 14.431 354 HA ARG 46 HA ARG 46 61.919 1.480 12.425 355 1HB ARG 46 HB2 ARG 46 60.895 -0.635 12.521 356 2HB ARG 46 HB1 ARG 46 60.532 0.053 14.100 357 1HG ARG 46 HG2 ARG 46 58.631 0.272 11.754 358 2HG ARG 46 HG1 ARG 46 58.572 -1.054 12.911 359 1HD ARG 46 HD2 ARG 46 58.448 1.856 13.731 360 2HD ARG 46 HD1 ARG 46 57.020 0.875 13.431 361 HE ARG 46 HE ARG 46 58.773 -0.441 15.303 362 1HH1 ARG 46 HH12 ARG 46 55.690 0.514 15.075 363 2HH1 ARG 46 HH11 ARG 46 55.541 1.211 16.654 364 1HH2 ARG 46 HH21 ARG 46 58.949 1.154 17.289 365 2HH2 ARG 46 HH22 ARG 46 57.386 1.572 17.908 366 H CYS 47 HN CYS 47 58.751 2.876 12.188 367 HA CYS 47 HA CYS 47 58.120 2.180 9.468 368 1HB CYS 47 HB2 CYS 47 56.991 3.754 11.553 369 2HB CYS 47 HB1 CYS 47 57.160 4.812 10.149 370 H ILE 48 HN ILE 48 59.527 5.179 10.821 371 HA ILE 48 HA ILE 48 59.911 6.710 8.611 372 HB ILE 48 HB ILE 48 62.371 6.236 10.268 373 1HG1 ILE 48 HG12 ILE 48 60.657 6.106 11.961 374 2HG1 ILE 48 HG11 ILE 48 61.312 7.738 12.018 375 1HG2 ILE 48 HG21 ILE 48 61.129 8.363 8.667 376 2HG2 ILE 48 HG23 ILE 48 61.756 8.920 10.219 377 3HG2 ILE 48 HG22 ILE 48 62.825 8.106 9.076 378 1HD1 ILE 48 HD12 ILE 48 59.435 8.502 10.567 379 2HD1 ILE 48 HD11 ILE 48 58.755 6.877 10.641 380 3HD1 ILE 48 HD13 ILE 48 58.880 7.847 12.107 381 H LYS 49 HN LYS 49 62.500 4.391 9.515 382 HA LYS 49 HA LYS 49 63.551 4.489 6.796 383 1HB LYS 49 HB2 LYS 49 64.645 3.976 9.272 384 2HB LYS 49 HB1 LYS 49 64.586 2.373 8.541 385 1HG LYS 49 HG2 LYS 49 65.458 4.156 6.515 386 2HG LYS 49 HG1 LYS 49 66.390 4.540 7.963 387 1HD LYS 49 HD2 LYS 49 66.023 1.721 6.917 388 2HD LYS 49 HD1 LYS 49 67.409 2.736 6.515 389 1HE LYS 49 HE2 LYS 49 68.170 2.786 8.753 390 2HE LYS 49 HE1 LYS 49 66.616 2.242 9.384 391 1HZ LYS 49 HZ1 LYS 49 67.695 0.386 7.516 392 2HZ LYS 49 HZ3 LYS 49 68.779 0.668 8.789 393 3HZ LYS 49 HZ2 LYS 49 67.201 0.135 9.122 394 H ALA 50 HN ALA 50 61.268 2.454 8.439 395 HA ALA 50 HA ALA 50 61.762 0.116 6.803 396 1HB ALA 50 HB2 ALA 50 59.323 0.959 8.403 397 2HB ALA 50 HB1 ALA 50 59.508 -0.612 7.623 398 3HB ALA 50 HB3 ALA 50 60.589 -0.146 8.935 399 H PHE 51 HN PHE 51 59.017 2.351 6.918 400 HA PHE 51 HA PHE 51 58.066 1.700 4.359 401 1HB PHE 51 HB2 PHE 51 56.460 3.285 4.749 402 2HB PHE 51 HB1 PHE 51 57.057 3.157 6.395 403 HD1 PHE 51 HD2 PHE 51 57.519 5.094 3.211 404 HD2 PHE 51 HD1 PHE 51 57.965 5.042 7.468 405 HE1 PHE 51 HE2 PHE 51 58.185 7.485 3.189 406 HE2 PHE 51 HE1 PHE 51 58.637 7.409 7.437 407 HZ PHE 51 HZ PHE 51 58.737 8.637 5.311 408 H THR 52 HN THR 52 60.134 4.390 5.463 409 HA THR 52 HA THR 52 60.392 5.650 2.958 410 HB THR 52 HB THR 52 62.437 5.397 5.180 411 HG1 THR 52 HG1 THR 52 60.891 7.648 4.510 412 1HG2 THR 52 HG22 THR 52 62.909 6.234 2.583 413 2HG2 THR 52 HG21 THR 52 62.579 7.741 3.438 414 3HG2 THR 52 HG23 THR 52 63.870 6.674 3.995 415 H GLU 53 HN GLU 53 62.228 2.962 4.324 416 HA GLU 53 HA GLU 53 64.131 2.679 2.226 417 1HB GLU 53 HB2 GLU 53 64.433 1.686 4.443 418 2HB GLU 53 HB1 GLU 53 63.048 0.636 4.145 419 1HG GLU 53 HG2 GLU 53 65.366 -0.386 3.728 420 2HG GLU 53 HG1 GLU 53 64.176 -0.562 2.438 421 H CYS 54 HN CYS 54 60.996 1.092 2.771 422 HA CYS 54 HA CYS 54 61.258 -0.594 0.416 423 1HB CYS 54 HB2 CYS 54 59.205 -0.069 2.504 424 2HB CYS 54 HB1 CYS 54 58.626 -0.693 0.960 425 H CYS 55 HN CYS 55 60.022 2.548 1.128 426 HA CYS 55 HA CYS 55 58.512 2.776 -1.373 427 1HB CYS 55 HB2 CYS 55 57.490 4.130 0.184 428 2HB CYS 55 HB1 CYS 55 58.973 4.394 1.078 429 H VAL 56 HN VAL 56 61.713 3.458 -0.156 430 HA VAL 56 HA VAL 56 62.419 5.188 -2.419 431 HB VAL 56 HB VAL 56 64.181 3.814 -0.350 432 1HG1 VAL 56 HG11 VAL 56 64.723 5.910 -2.459 433 2HG1 VAL 56 HG13 VAL 56 65.798 5.642 -1.087 434 3HG1 VAL 56 HG12 VAL 56 65.516 4.348 -2.252 435 1HG2 VAL 56 HG21 VAL 56 62.362 5.830 0.097 436 2HG2 VAL 56 HG23 VAL 56 63.815 5.558 1.058 437 3HG2 VAL 56 HG22 VAL 56 63.832 6.738 -0.252 438 H VAL 57 HN VAL 57 63.095 1.854 -1.367 439 HA VAL 57 HA VAL 57 64.623 1.191 -3.706 440 HB VAL 57 HB VAL 57 64.144 -1.144 -3.074 441 1HG1 VAL 57 HG11 VAL 57 65.350 0.839 -1.413 442 2HG1 VAL 57 HG13 VAL 57 64.513 -0.300 -0.359 443 3HG1 VAL 57 HG12 VAL 57 65.732 -0.882 -1.492 444 1HG2 VAL 57 HG22 VAL 57 62.209 0.140 -1.127 445 2HG2 VAL 57 HG21 VAL 57 61.801 -0.924 -2.470 446 3HG2 VAL 57 HG23 VAL 57 62.681 -1.560 -1.082 447 H ALA 58 HN ALA 58 61.249 0.956 -2.718 448 HA ALA 58 HA ALA 58 60.219 -0.121 -5.143 449 1HB ALA 58 HB3 ALA 58 59.033 1.683 -3.018 450 2HB ALA 58 HB2 ALA 58 58.092 1.098 -4.390 451 3HB ALA 58 HB1 ALA 58 58.760 -0.047 -3.226 452 H SER 59 HN SER 59 61.259 2.994 -4.068 453 HA SER 59 HA SER 59 60.103 4.649 -6.061 454 1HB SER 59 HB2 SER 59 61.467 5.215 -3.921 455 2HB SER 59 HB1 SER 59 62.844 5.165 -5.012 456 HG SER 59 HG SER 59 61.191 7.150 -4.654 457 H GLN 60 HN GLN 60 63.504 3.639 -5.919 458 HA GLN 60 HA GLN 60 64.251 4.221 -8.542 459 1HB GLN 60 HB2 GLN 60 65.289 2.693 -6.339 460 2HB GLN 60 HB1 GLN 60 65.519 1.791 -7.838 461 1HG GLN 60 HG2 GLN 60 66.944 3.371 -8.725 462 2HG GLN 60 HG1 GLN 60 66.125 4.705 -7.909 463 1HE2 GLN 60 HE22 GLN 60 68.117 4.478 -4.958 464 2HE2 GLN 60 HE21 GLN 60 66.675 5.089 -5.611 465 H LEU 61 HN LEU 61 62.391 1.544 -7.293 466 HA LEU 61 HA LEU 61 62.604 -0.187 -9.556 467 1HB LEU 61 HB2 LEU 61 60.655 0.189 -7.303 468 2HB LEU 61 HB1 LEU 61 60.250 -0.906 -8.615 469 HG LEU 61 HG LEU 61 62.620 -1.052 -6.781 470 1HD1 LEU 61 HD11 LEU 61 59.999 -2.207 -6.790 471 2HD1 LEU 61 HD13 LEU 61 61.179 -3.492 -7.041 472 3HD1 LEU 61 HD12 LEU 61 61.294 -2.453 -5.620 473 1HD2 LEU 61 HD21 LEU 61 62.024 -2.437 -9.388 474 2HD2 LEU 61 HD23 LEU 61 63.538 -1.709 -8.853 475 3HD2 LEU 61 HD22 LEU 61 62.999 -3.236 -8.156 476 H ARG 62 HN ARG 62 60.200 2.257 -8.598 477 HA ARG 62 HA ARG 62 58.962 2.111 -11.231 478 1HB ARG 62 HB2 ARG 62 57.506 3.995 -10.339 479 2HB ARG 62 HB1 ARG 62 57.414 2.483 -9.439 480 1HG ARG 62 HG2 ARG 62 58.971 3.348 -7.766 481 2HG ARG 62 HG1 ARG 62 59.171 4.838 -8.684 482 1HD ARG 62 HD2 ARG 62 57.556 5.489 -7.141 483 2HD ARG 62 HD1 ARG 62 56.535 4.942 -8.469 484 HE ARG 62 HE ARG 62 56.801 3.644 -5.869 485 1HH1 ARG 62 HH12 ARG 62 57.441 1.388 -7.589 486 2HH1 ARG 62 HH11 ARG 62 55.892 0.798 -8.090 487 1HH2 ARG 62 HH21 ARG 62 54.209 3.703 -7.220 488 2HH2 ARG 62 HH22 ARG 62 54.062 2.109 -7.882 489 H ALA 63 HN ALA 63 61.721 3.501 -10.135 490 HA ALA 63 HA ALA 63 61.416 6.004 -11.691 491 1HB ALA 63 HB1 ALA 63 62.595 5.934 -9.443 492 2HB ALA 63 HB3 ALA 63 63.868 4.997 -10.225 493 3HB ALA 63 HB2 ALA 63 63.538 6.646 -10.752 494 H ASN 64 HN ASN 64 61.531 3.156 -12.828 495 HA ASN 64 HA ASN 64 63.287 3.818 -15.060 496 1HB ASN 64 HB2 ASN 64 64.693 2.738 -13.097 497 2HB ASN 64 HB1 ASN 64 64.005 1.239 -13.721 498 1HD2 ASN 64 HD21 ASN 64 66.361 0.784 -14.348 499 2HD2 ASN 64 HD22 ASN 64 66.926 1.414 -15.820 500 H ILE 65 HN ILE 65 61.652 1.025 -13.481 501 HA ILE 65 HA ILE 65 60.826 0.098 -16.175 502 HB ILE 65 HB ILE 65 59.704 -1.529 -14.090 503 1HG1 ILE 65 HG12 ILE 65 62.679 -0.968 -13.837 504 2HG1 ILE 65 HG11 ILE 65 61.451 -0.639 -12.614 505 1HG2 ILE 65 HG21 ILE 65 61.430 -1.735 -16.460 506 2HG2 ILE 65 HG23 ILE 65 61.761 -2.954 -15.230 507 3HG2 ILE 65 HG22 ILE 65 60.140 -2.803 -15.910 508 1HD1 ILE 65 HD11 ILE 65 61.919 -3.411 -13.726 509 2HD1 ILE 65 HD13 ILE 65 62.780 -2.804 -12.312 510 3HD1 ILE 65 HD12 ILE 65 61.024 -2.961 -12.274 511 H SER 66 HN SER 66 58.383 -1.046 -15.747 512 HA SER 66 HA SER 66 56.484 0.474 -14.286 513 1HB SER 66 HB2 SER 66 57.495 1.860 -16.557 514 2HB SER 66 HB1 SER 66 55.846 1.370 -16.934 515 HG SER 66 HG SER 66 56.527 2.526 -14.447 516 H HIS 67 HN HIS 67 57.016 -2.265 -15.192 517 HA HIS 67 HA HIS 67 54.334 -2.815 -16.359 518 1HB HIS 67 HB2 HIS 67 56.774 -4.294 -17.340 519 2HB HIS 67 HB1 HIS 67 55.162 -4.235 -18.050 520 HD1 HIS 67 HD1 HIS 67 58.430 -2.766 -18.394 521 HD2 HIS 67 HD2 HIS 67 54.531 -1.395 -18.943 522 HE1 HIS 67 HE1 HIS 67 58.597 -0.687 -19.830 523 H LYS 68 HN LYS 68 55.049 -5.686 -16.623 524 HA LYS 68 HA LYS 68 54.154 -6.818 -14.310 525 1HB LYS 68 HB2 LYS 68 54.766 -8.234 -16.173 526 2HB LYS 68 HB1 LYS 68 56.469 -7.802 -16.003 527 1HG LYS 68 HG2 LYS 68 56.780 -9.406 -14.456 528 2HG LYS 68 HG1 LYS 68 55.441 -8.788 -13.488 529 1HD LYS 68 HD2 LYS 68 55.077 -11.143 -14.229 530 2HD LYS 68 HD1 LYS 68 53.838 -10.043 -14.834 531 1HE LYS 68 HE2 LYS 68 55.950 -10.014 -16.729 532 2HE LYS 68 HE1 LYS 68 55.641 -11.706 -16.336 533 1HZ LYS 68 HZ3 LYS 68 53.259 -10.119 -16.675 534 2HZ LYS 68 HZ2 LYS 68 54.206 -10.239 -18.081 535 3HZ LYS 68 HZ1 LYS 68 53.646 -11.645 -17.308 536 H ASP 69 HN ASP 69 57.559 -5.922 -14.836 537 HA ASP 69 HA ASP 69 58.505 -6.622 -12.268 538 1HB ASP 69 HB2 ASP 69 59.451 -4.994 -14.553 539 2HB ASP 69 HB1 ASP 69 60.081 -4.501 -12.981 540 H MET 70 HN MET 70 57.429 -3.474 -13.616 541 HA MET 70 HA MET 70 57.396 -2.324 -10.932 542 1HB MET 70 HB2 MET 70 57.807 -1.141 -13.260 543 2HB MET 70 HB1 MET 70 56.049 -1.008 -13.258 544 1HG MET 70 HG2 MET 70 57.231 0.980 -12.252 545 2HG MET 70 HG1 MET 70 56.068 0.212 -11.176 546 1HE MET 70 HE2 MET 70 59.525 -0.686 -12.463 547 2HE MET 70 HE1 MET 70 60.445 -1.133 -11.031 548 3HE MET 70 HE3 MET 70 59.103 -2.144 -11.574 549 H GLN 71 HN GLN 71 54.735 -2.401 -13.340 550 HA GLN 71 HA GLN 71 52.543 -2.023 -11.786 551 1HB GLN 71 HB2 GLN 71 52.443 -2.697 -14.183 552 2HB GLN 71 HB1 GLN 71 52.780 -4.362 -13.707 553 1HG GLN 71 HG2 GLN 71 50.730 -4.071 -12.120 554 2HG GLN 71 HG1 GLN 71 50.323 -2.709 -13.166 555 1HE2 GLN 71 HE22 GLN 71 50.320 -6.477 -14.836 556 2HE2 GLN 71 HE21 GLN 71 51.369 -6.153 -13.542 557 H LEU 72 HN LEU 72 54.549 -4.954 -11.734 558 HA LEU 72 HA LEU 72 52.913 -5.927 -9.419 559 1HB LEU 72 HB2 LEU 72 54.079 -7.272 -11.696 560 2HB LEU 72 HB1 LEU 72 54.752 -7.925 -10.202 561 HG LEU 72 HG LEU 72 52.393 -8.123 -9.341 562 1HD1 LEU 72 HD13 LEU 72 51.486 -6.409 -10.908 563 2HD1 LEU 72 HD12 LEU 72 51.732 -7.540 -12.238 564 3HD1 LEU 72 HD11 LEU 72 50.580 -7.920 -10.956 565 1HD2 LEU 72 HD21 LEU 72 53.615 -9.648 -11.561 566 2HD2 LEU 72 HD23 LEU 72 52.967 -10.226 -10.026 567 3HD2 LEU 72 HD22 LEU 72 51.878 -9.893 -11.374 568 H GLY 73 HN GLY 73 56.271 -6.515 -10.391 569 1HA GLY 73 HA2 GLY 73 57.499 -6.764 -7.976 570 2HA GLY 73 HA1 GLY 73 58.283 -5.918 -9.303 571 H ARG 74 HN ARG 74 56.870 -3.605 -9.551 572 HA ARG 74 HA ARG 74 57.256 -1.422 -8.567 573 1HB ARG 74 HB2 ARG 74 55.307 -0.961 -7.128 574 2HB ARG 74 HB1 ARG 74 54.847 -1.923 -8.531 575 1HG ARG 74 HG2 ARG 74 53.911 -3.375 -7.079 576 2HG ARG 74 HG1 ARG 74 55.549 -3.827 -6.615 577 1HD ARG 74 HD2 ARG 74 55.382 -2.788 -4.616 578 2HD ARG 74 HD1 ARG 74 54.662 -1.350 -5.338 579 HE ARG 74 HE ARG 74 53.140 -3.764 -4.471 580 1HH1 ARG 74 HH12 ARG 74 51.129 -3.091 -5.983 581 2HH1 ARG 74 HH11 ARG 74 50.448 -1.593 -5.444 582 1HH2 ARG 74 HH21 ARG 74 53.226 -0.699 -3.572 583 2HH2 ARG 74 HH22 ARG 74 51.635 -0.238 -4.079 No H/Q in entry = 583 Start of MODEL 14 1 H MET 1 HN MET 1 55.906 -10.121 -10.535 2 HA MET 1 HA MET 1 56.048 -10.599 -7.636 3 1HB MET 1 HB2 MET 1 57.804 -9.181 -9.619 4 2HB MET 1 HB1 MET 1 58.049 -9.017 -7.878 5 1HG MET 1 HG2 MET 1 59.247 -10.928 -7.977 6 2HG MET 1 HG1 MET 1 57.719 -11.762 -8.264 7 1HE MET 1 HE3 MET 1 56.794 -12.453 -9.979 8 2HE MET 1 HE2 MET 1 56.859 -11.558 -11.495 9 3HE MET 1 HE1 MET 1 57.642 -13.132 -11.375 10 H LEU 2 HN LEU 2 53.790 -9.378 -7.620 11 HA LEU 2 HA LEU 2 53.892 -6.492 -7.811 12 1HB LEU 2 HB2 LEU 2 51.799 -7.965 -7.883 13 2HB LEU 2 HB1 LEU 2 51.967 -8.115 -6.135 14 HG LEU 2 HG LEU 2 51.978 -5.590 -6.010 15 1HD1 LEU 2 HD11 LEU 2 51.599 -6.011 -8.944 16 2HD1 LEU 2 HD13 LEU 2 50.722 -4.682 -8.184 17 3HD1 LEU 2 HD12 LEU 2 52.483 -4.741 -8.098 18 1HD2 LEU 2 HD22 LEU 2 49.561 -6.998 -7.183 19 2HD2 LEU 2 HD21 LEU 2 49.952 -6.823 -5.472 20 3HD2 LEU 2 HD23 LEU 2 49.505 -5.408 -6.424 21 H GLN 3 HN GLN 3 55.620 -8.392 -5.846 22 HA GLN 3 HA GLN 3 56.291 -6.399 -3.955 23 1HB GLN 3 HB2 GLN 3 55.144 -7.112 -1.955 24 2HB GLN 3 HB1 GLN 3 53.918 -6.883 -3.201 25 1HG GLN 3 HG2 GLN 3 54.772 -9.536 -3.510 26 2HG GLN 3 HG1 GLN 3 54.626 -9.301 -1.768 27 1HE2 GLN 3 HE22 GLN 3 51.277 -9.331 -4.090 28 2HE2 GLN 3 HE21 GLN 3 52.820 -9.410 -4.796 29 H LYS 4 HN LYS 4 58.036 -7.870 -5.227 30 HA LYS 4 HA LYS 4 58.636 -10.300 -3.632 31 1HB LYS 4 HB2 LYS 4 58.763 -9.875 -6.322 32 2HB LYS 4 HB1 LYS 4 60.436 -9.564 -5.857 33 1HG LYS 4 HG2 LYS 4 58.889 -12.027 -5.009 34 2HG LYS 4 HG1 LYS 4 59.955 -11.976 -6.413 35 1HD LYS 4 HD2 LYS 4 61.567 -12.606 -4.937 36 2HD LYS 4 HD1 LYS 4 61.569 -10.903 -4.480 37 1HE LYS 4 HE2 LYS 4 61.343 -12.425 -2.513 38 2HE LYS 4 HE1 LYS 4 59.968 -11.336 -2.692 39 1HZ LYS 4 HZ2 LYS 4 59.787 -13.890 -4.072 40 2HZ LYS 4 HZ1 LYS 4 59.710 -13.951 -2.376 41 3HZ LYS 4 HZ3 LYS 4 58.592 -13.015 -3.240 42 H LYS 5 HN LYS 5 60.409 -7.398 -4.816 43 HA LYS 5 HA LYS 5 62.589 -7.924 -2.972 44 1HB LYS 5 HB2 LYS 5 63.716 -6.395 -4.236 45 2HB LYS 5 HB1 LYS 5 62.346 -6.550 -5.333 46 1HG LYS 5 HG2 LYS 5 61.261 -4.625 -4.364 47 2HG LYS 5 HG1 LYS 5 62.476 -4.523 -3.099 48 1HD LYS 5 HD2 LYS 5 63.343 -4.427 -5.969 49 2HD LYS 5 HD1 LYS 5 62.687 -2.974 -5.213 50 1HE LYS 5 HE2 LYS 5 64.405 -2.904 -3.588 51 2HE LYS 5 HE1 LYS 5 64.875 -4.577 -3.890 52 1HZ LYS 5 HZ1 LYS 5 65.020 -2.728 -6.140 53 2HZ LYS 5 HZ3 LYS 5 66.178 -2.535 -4.916 54 3HZ LYS 5 HZ2 LYS 5 66.040 -4.022 -5.727 55 H ILE 6 HN ILE 6 59.580 -6.309 -2.836 56 HA ILE 6 HA ILE 6 60.419 -4.660 -0.518 57 HB ILE 6 HB ILE 6 57.652 -4.723 -1.688 58 1HG1 ILE 6 HG12 ILE 6 59.559 -4.526 -3.467 59 2HG1 ILE 6 HG11 ILE 6 58.273 -3.309 -3.474 60 1HG2 ILE 6 HG21 ILE 6 59.311 -2.977 0.035 61 2HG2 ILE 6 HG23 ILE 6 58.296 -2.141 -1.136 62 3HG2 ILE 6 HG22 ILE 6 57.568 -3.232 0.044 63 1HD1 ILE 6 HD12 ILE 6 60.647 -2.762 -1.759 64 2HD1 ILE 6 HD11 ILE 6 60.868 -2.635 -3.503 65 3HD1 ILE 6 HD13 ILE 6 59.654 -1.644 -2.694 66 H GLU 7 HN GLU 7 58.346 -7.392 -1.365 67 HA GLU 7 HA GLU 7 57.165 -7.564 1.301 68 1HB GLU 7 HB2 GLU 7 56.108 -8.486 -0.820 69 2HB GLU 7 HB1 GLU 7 57.342 -9.747 -0.793 70 1HG GLU 7 HG2 GLU 7 55.623 -10.789 0.367 71 2HG GLU 7 HG1 GLU 7 56.536 -10.069 1.693 72 H GLU 8 HN GLU 8 60.107 -8.461 -0.198 73 HA GLU 8 HA GLU 8 60.743 -10.652 1.623 74 1HB GLU 8 HB2 GLU 8 62.868 -10.707 0.497 75 2HB GLU 8 HB1 GLU 8 61.650 -10.396 -0.739 76 1HG GLU 8 HG2 GLU 8 62.132 -7.988 -0.659 77 2HG GLU 8 HG1 GLU 8 63.305 -8.267 0.644 78 H ILE 9 HN ILE 9 61.682 -7.228 1.258 79 HA ILE 9 HA ILE 9 63.395 -7.272 3.602 80 HB ILE 9 HB ILE 9 63.399 -5.629 1.557 81 1HG1 ILE 9 HG12 ILE 9 65.028 -5.383 3.285 82 2HG1 ILE 9 HG11 ILE 9 64.281 -3.796 3.106 83 1HG2 ILE 9 HG22 ILE 9 60.946 -4.997 2.159 84 2HG2 ILE 9 HG21 ILE 9 61.682 -3.982 3.399 85 3HG2 ILE 9 HG23 ILE 9 62.059 -3.710 1.698 86 1HD1 ILE 9 HD13 ILE 9 62.658 -4.563 4.965 87 2HD1 ILE 9 HD12 ILE 9 63.832 -5.844 5.273 88 3HD1 ILE 9 HD11 ILE 9 64.306 -4.154 5.442 89 H ALA 10 HN ALA 10 60.054 -6.466 2.902 90 HA ALA 10 HA ALA 10 59.407 -5.341 5.474 91 1HB ALA 10 HB2 ALA 10 58.081 -5.520 3.123 92 2HB ALA 10 HB1 ALA 10 57.331 -6.864 3.987 93 3HB ALA 10 HB3 ALA 10 57.262 -5.235 4.659 94 H ALA 11 HN ALA 11 58.881 -8.568 4.059 95 HA ALA 11 HA ALA 11 57.883 -9.775 6.443 96 1HB ALA 11 HB2 ALA 11 57.765 -10.703 4.075 97 2HB ALA 11 HB1 ALA 11 59.446 -11.193 4.278 98 3HB ALA 11 HB3 ALA 11 58.200 -11.867 5.327 99 H LYS 12 HN LYS 12 61.180 -9.196 5.269 100 HA LYS 12 HA LYS 12 62.260 -10.884 7.435 101 1HB LYS 12 HB2 LYS 12 64.368 -10.613 6.461 102 2HB LYS 12 HB1 LYS 12 63.300 -10.520 5.063 103 1HG LYS 12 HG2 LYS 12 64.234 -8.533 4.594 104 2HG LYS 12 HG1 LYS 12 63.448 -7.889 6.036 105 1HD LYS 12 HD2 LYS 12 65.734 -7.401 6.379 106 2HD LYS 12 HD1 LYS 12 65.482 -8.872 7.318 107 1HE LYS 12 HE2 LYS 12 66.092 -9.902 4.853 108 2HE LYS 12 HE1 LYS 12 67.096 -8.452 4.887 109 1HZ LYS 12 HZ1 LYS 12 67.227 -9.721 7.390 110 2HZ LYS 12 HZ3 LYS 12 67.541 -10.877 6.188 111 3HZ LYS 12 HZ2 LYS 12 68.476 -9.461 6.269 112 H TYR 13 HN TYR 13 60.653 -8.882 8.461 113 HA TYR 13 HA TYR 13 62.623 -6.960 9.622 114 1HB TYR 13 HB2 TYR 13 59.703 -6.776 9.005 115 2HB TYR 13 HB1 TYR 13 60.305 -5.912 10.415 116 HD1 TYR 13 HD1 TYR 13 63.024 -5.134 9.576 117 HD2 TYR 13 HD2 TYR 13 59.340 -5.122 7.365 118 HE1 TYR 13 HE1 TYR 13 63.911 -3.345 8.109 119 HE2 TYR 13 HE2 TYR 13 60.229 -3.332 5.899 120 HH TYR 13 HH TYR 13 63.207 -2.629 5.451 121 H LYS 14 HN LYS 14 63.017 -7.093 11.792 122 HA LYS 14 HA LYS 14 61.752 -9.294 13.285 123 1HB LYS 14 HB2 LYS 14 64.009 -7.370 13.871 124 2HB LYS 14 HB1 LYS 14 63.356 -8.437 15.114 125 1HG LYS 14 HG2 LYS 14 63.858 -10.398 13.744 126 2HG LYS 14 HG1 LYS 14 64.429 -9.364 12.435 127 1HD LYS 14 HD2 LYS 14 66.437 -9.910 13.482 128 2HD LYS 14 HD1 LYS 14 66.029 -8.397 14.293 129 1HE LYS 14 HE2 LYS 14 65.376 -9.465 16.255 130 2HE LYS 14 HE1 LYS 14 65.010 -10.980 15.430 131 1HZ LYS 14 HZ1 LYS 14 67.774 -10.040 15.366 132 2HZ LYS 14 HZ3 LYS 14 67.198 -10.653 16.838 133 3HZ LYS 14 HZ2 LYS 14 67.167 -11.625 15.445 134 H HIS 15 HN HIS 15 59.896 -7.310 12.632 135 HA HIS 15 HA HIS 15 58.882 -6.613 15.252 136 1HB HIS 15 HB2 HIS 15 60.613 -4.718 13.963 137 2HB HIS 15 HB1 HIS 15 58.973 -4.069 13.967 138 HD1 HIS 15 HD1 HIS 15 61.688 -5.263 16.303 139 HD2 HIS 15 HD2 HIS 15 57.962 -3.405 16.523 140 HE1 HIS 15 HE1 HIS 15 61.412 -4.492 18.700 141 H SER 16 HN SER 16 56.814 -7.245 14.804 142 HA SER 16 HA SER 16 55.497 -7.423 12.387 143 1HB SER 16 HB2 SER 16 54.526 -8.132 14.547 144 2HB SER 16 HB1 SER 16 54.246 -6.446 14.969 145 HG SER 16 HG SER 16 52.490 -7.776 13.899 146 H VAL 17 HN VAL 17 55.748 -4.395 14.315 147 HA VAL 17 HA VAL 17 54.020 -2.832 12.701 148 HB VAL 17 HB VAL 17 56.392 -2.075 14.417 149 1HG1 VAL 17 HG13 VAL 17 56.015 -0.363 12.673 150 2HG1 VAL 17 HG12 VAL 17 54.312 -0.283 13.124 151 3HG1 VAL 17 HG11 VAL 17 55.554 0.238 14.265 152 1HG2 VAL 17 HG22 VAL 17 54.052 -3.075 15.230 153 2HG2 VAL 17 HG21 VAL 17 54.855 -1.781 16.120 154 3HG2 VAL 17 HG23 VAL 17 53.539 -1.402 15.007 155 H VAL 18 HN VAL 18 57.498 -3.528 12.331 156 HA VAL 18 HA VAL 18 58.043 -1.592 10.326 157 HB VAL 18 HB VAL 18 59.242 -4.337 10.155 158 1HG1 VAL 18 HG12 VAL 18 60.296 -1.516 9.925 159 2HG1 VAL 18 HG11 VAL 18 61.289 -2.964 9.778 160 3HG1 VAL 18 HG13 VAL 18 60.017 -2.645 8.600 161 1HG2 VAL 18 HG22 VAL 18 59.102 -2.823 12.580 162 2HG2 VAL 18 HG21 VAL 18 59.987 -4.315 12.260 163 3HG2 VAL 18 HG23 VAL 18 60.756 -2.759 11.978 164 H LYS 19 HN LYS 19 56.164 -4.477 10.285 165 HA LYS 19 HA LYS 19 56.281 -5.110 7.500 166 1HB LYS 19 HB2 LYS 19 55.146 -6.342 9.564 167 2HB LYS 19 HB1 LYS 19 53.726 -5.443 9.027 168 1HG LYS 19 HG2 LYS 19 53.523 -6.653 7.100 169 2HG LYS 19 HG1 LYS 19 55.268 -6.793 6.886 170 1HD LYS 19 HD2 LYS 19 54.387 -8.218 9.261 171 2HD LYS 19 HD1 LYS 19 53.545 -8.793 7.821 172 1HE LYS 19 HE2 LYS 19 56.185 -8.487 6.976 173 2HE LYS 19 HE1 LYS 19 56.333 -9.160 8.599 174 1HZ LYS 19 HZ1 LYS 19 54.302 -10.350 6.894 175 2HZ LYS 19 HZ3 LYS 19 55.911 -10.643 6.444 176 3HZ LYS 19 HZ2 LYS 19 55.371 -11.085 7.992 177 H LYS 20 HN LYS 20 53.622 -3.421 9.217 178 HA LYS 20 HA LYS 20 52.299 -2.448 6.937 179 1HB LYS 20 HB2 LYS 20 51.197 -2.193 9.024 180 2HB LYS 20 HB1 LYS 20 52.565 -1.334 9.727 181 1HG LYS 20 HG2 LYS 20 51.743 0.640 9.025 182 2HG LYS 20 HG1 LYS 20 51.670 0.060 7.360 183 1HD LYS 20 HD2 LYS 20 49.439 0.764 8.351 184 2HD LYS 20 HD1 LYS 20 49.480 -0.876 7.701 185 1HE LYS 20 HE2 LYS 20 49.301 -1.846 9.769 186 2HE LYS 20 HE1 LYS 20 50.238 -0.579 10.560 187 1HZ LYS 20 HZ1 LYS 20 47.607 0.105 9.463 188 2HZ LYS 20 HZ3 LYS 20 47.668 -0.775 10.913 189 3HZ LYS 20 HZ2 LYS 20 48.419 0.746 10.812 190 H CYS 21 HN CYS 21 54.971 -0.986 8.768 191 HA CYS 21 HA CYS 21 55.148 1.492 7.468 192 1HB CYS 21 HB2 CYS 21 57.379 -0.298 8.471 193 2HB CYS 21 HB1 CYS 21 57.575 1.404 8.047 194 H CYS 22 HN CYS 22 56.919 -1.492 6.544 195 HA CYS 22 HA CYS 22 57.881 -0.331 4.076 196 1HB CYS 22 HB2 CYS 22 59.141 -2.151 4.964 197 2HB CYS 22 HB1 CYS 22 57.709 -3.165 5.121 198 H TYR 23 HN TYR 23 54.905 -1.703 5.093 199 HA TYR 23 HA TYR 23 53.973 -2.724 2.585 200 1HB TYR 23 HB2 TYR 23 52.894 -2.218 5.210 201 2HB TYR 23 HB1 TYR 23 51.751 -1.716 3.977 202 HD1 TYR 23 HD2 TYR 23 51.415 -3.355 1.964 203 HD2 TYR 23 HD1 TYR 23 53.024 -4.433 5.788 204 HE1 TYR 23 HE2 TYR 23 50.848 -5.730 1.526 205 HE2 TYR 23 HE1 TYR 23 52.464 -6.775 5.349 206 HH TYR 23 HH TYR 23 51.908 -8.285 3.696 207 H ASP 24 HN ASP 24 53.387 0.400 4.224 208 HA ASP 24 HA ASP 24 52.110 1.598 1.928 209 1HB ASP 24 HB2 ASP 24 53.566 3.270 3.941 210 2HB ASP 24 HB1 ASP 24 51.987 3.532 3.209 211 H GLY 25 HN GLY 25 55.391 1.753 3.299 212 1HA GLY 25 HA2 GLY 25 56.663 3.526 1.616 213 2HA GLY 25 HA1 GLY 25 57.438 2.023 2.138 214 H ALA 26 HN ALA 26 56.222 0.046 0.861 215 HA ALA 26 HA ALA 26 57.033 0.291 -1.880 216 1HB ALA 26 HB1 ALA 26 56.416 -1.804 -0.216 217 2HB ALA 26 HB3 ALA 26 55.020 -1.781 -1.291 218 3HB ALA 26 HB2 ALA 26 56.643 -1.949 -1.959 219 H CYS 27 HN CYS 27 53.892 0.585 -0.255 220 HA CYS 27 HA CYS 27 52.481 0.909 -2.814 221 1HB CYS 27 HB2 CYS 27 51.648 1.005 0.085 222 2HB CYS 27 HB1 CYS 27 50.545 1.483 -1.204 223 HG CYS 27 HG CYS 27 51.559 -1.398 -0.688 224 H VAL 28 HN VAL 28 54.587 2.851 -1.482 225 HA VAL 28 HA VAL 28 53.843 5.299 -0.714 226 HB VAL 28 HB VAL 28 56.095 5.020 -1.463 227 1HG1 VAL 28 HG13 VAL 28 55.378 3.366 -3.279 228 2HG1 VAL 28 HG12 VAL 28 55.121 4.773 -4.311 229 3HG1 VAL 28 HG11 VAL 28 56.730 4.426 -3.676 230 1HG2 VAL 28 HG23 VAL 28 54.698 7.275 -2.057 231 2HG2 VAL 28 HG22 VAL 28 56.427 7.107 -2.364 232 3HG2 VAL 28 HG21 VAL 28 55.269 6.837 -3.666 233 H ASN 29 HN ASN 29 52.690 7.102 -1.468 234 HA ASN 29 HA ASN 29 50.410 6.857 -2.974 235 1HB ASN 29 HB2 ASN 29 52.232 9.282 -3.003 236 2HB ASN 29 HB1 ASN 29 50.514 9.276 -3.406 237 1HD2 ASN 29 HD22 ASN 29 50.094 8.096 0.249 238 2HD2 ASN 29 HD21 ASN 29 50.086 7.177 -1.177 239 H ASN 30 HN ASN 30 52.996 8.694 -4.581 240 HA ASN 30 HA ASN 30 52.872 6.849 -6.893 241 1HB ASN 30 HB2 ASN 30 52.644 9.097 -8.303 242 2HB ASN 30 HB1 ASN 30 51.218 8.234 -7.730 243 1HD2 ASN 30 HD22 ASN 30 51.666 11.993 -6.565 244 2HD2 ASN 30 HD21 ASN 30 52.386 11.305 -7.940 245 H ASP 31 HN ASP 31 54.008 10.215 -6.533 246 HA ASP 31 HA ASP 31 56.554 9.600 -7.738 247 1HB ASP 31 HB2 ASP 31 57.138 11.884 -7.249 248 2HB ASP 31 HB1 ASP 31 55.430 11.875 -7.689 249 H GLU 32 HN GLU 32 58.348 10.958 -5.995 250 HA GLU 32 HA GLU 32 58.812 8.795 -4.045 251 1HB GLU 32 HB2 GLU 32 60.508 11.242 -4.625 252 2HB GLU 32 HB1 GLU 32 61.007 9.794 -3.751 253 1HG GLU 32 HG2 GLU 32 61.850 9.333 -5.869 254 2HG GLU 32 HG1 GLU 32 60.261 8.572 -5.972 255 H THR 33 HN THR 33 56.593 10.020 -3.176 256 HA THR 33 HA THR 33 57.570 11.575 -0.830 257 HB THR 33 HB THR 33 55.294 12.859 -1.094 258 HG1 THR 33 HG1 THR 33 54.695 13.064 -3.257 259 1HG2 THR 33 HG23 THR 33 57.909 13.280 -2.463 260 2HG2 THR 33 HG22 THR 33 56.577 14.350 -2.901 261 3HG2 THR 33 HG21 THR 33 57.117 14.256 -1.224 262 H CYS 34 HN CYS 34 57.045 8.877 -0.841 263 HA CYS 34 HA CYS 34 54.492 7.932 -0.319 264 1HB CYS 34 HB2 CYS 34 55.785 6.618 1.640 265 2HB CYS 34 HB1 CYS 34 55.957 6.193 -0.058 266 H GLU 35 HN GLU 35 56.280 8.126 2.665 267 HA GLU 35 HA GLU 35 53.974 9.049 4.122 268 1HB GLU 35 HB2 GLU 35 56.883 8.975 4.958 269 2HB GLU 35 HB1 GLU 35 55.515 9.135 6.052 270 1HG GLU 35 HG2 GLU 35 55.637 6.830 4.132 271 2HG GLU 35 HG1 GLU 35 56.515 6.762 5.660 272 H GLN 36 HN GLN 36 56.837 10.656 2.806 273 HA GLN 36 HA GLN 36 56.637 13.167 4.062 274 1HB GLN 36 HB2 GLN 36 57.117 12.866 1.087 275 2HB GLN 36 HB1 GLN 36 57.802 14.067 2.185 276 1HG GLN 36 HG2 GLN 36 58.531 11.584 3.275 277 2HG GLN 36 HG1 GLN 36 58.785 11.414 1.538 278 1HE2 GLN 36 HE22 GLN 36 61.599 13.295 3.524 279 2HE2 GLN 36 HE21 GLN 36 60.575 12.082 4.125 280 H ARG 37 HN ARG 37 54.693 11.614 1.622 281 HA ARG 37 HA ARG 37 53.026 14.014 1.186 282 1HB ARG 37 HB2 ARG 37 53.371 12.449 -0.698 283 2HB ARG 37 HB1 ARG 37 52.661 11.144 0.253 284 1HG ARG 37 HG2 ARG 37 50.539 11.874 -0.109 285 2HG ARG 37 HG1 ARG 37 50.989 13.566 0.100 286 1HD ARG 37 HD2 ARG 37 51.374 13.876 -2.129 287 2HD ARG 37 HD1 ARG 37 52.052 12.261 -2.338 288 HE ARG 37 HE ARG 37 49.932 11.758 -3.229 289 1HH1 ARG 37 HH12 ARG 37 48.338 10.901 -1.264 290 2HH1 ARG 37 HH11 ARG 37 47.203 12.152 -0.882 291 1HH2 ARG 37 HH21 ARG 37 49.047 14.658 -2.412 292 2HH2 ARG 37 HH22 ARG 37 47.604 14.279 -1.532 293 H ALA 38 HN ALA 38 53.006 10.940 2.928 294 HA ALA 38 HA ALA 38 50.403 10.713 3.845 295 1HB ALA 38 HB3 ALA 38 52.946 10.477 5.494 296 2HB ALA 38 HB2 ALA 38 51.369 9.869 5.994 297 3HB ALA 38 HB1 ALA 38 52.175 9.177 4.587 298 H ALA 39 HN ALA 39 52.852 12.414 5.766 299 HA ALA 39 HA ALA 39 51.565 14.925 5.906 300 1HB ALA 39 HB1 ALA 39 50.436 12.846 7.723 301 2HB ALA 39 HB3 ALA 39 50.717 14.442 8.417 302 3HB ALA 39 HB2 ALA 39 49.658 14.264 7.019 303 H ARG 40 HN ARG 40 53.082 12.449 7.878 304 HA ARG 40 HA ARG 40 55.556 13.803 8.230 305 1HB ARG 40 HB2 ARG 40 53.403 14.575 10.081 306 2HB ARG 40 HB1 ARG 40 54.867 14.007 10.886 307 1HG ARG 40 HG2 ARG 40 56.149 15.751 10.094 308 2HG ARG 40 HG1 ARG 40 55.200 15.915 8.616 309 1HD ARG 40 HD2 ARG 40 53.510 16.476 10.868 310 2HD ARG 40 HD1 ARG 40 54.977 17.446 10.999 311 HE ARG 40 HE ARG 40 52.956 17.647 8.859 312 1HH1 ARG 40 HH12 ARG 40 56.229 18.162 9.768 313 2HH1 ARG 40 HH11 ARG 40 56.385 19.646 8.889 314 1HH2 ARG 40 HH21 ARG 40 53.078 19.684 7.847 315 2HH2 ARG 40 HH22 ARG 40 54.601 20.507 7.802 316 H ILE 41 HN ILE 41 56.663 11.871 8.248 317 HA ILE 41 HA ILE 41 55.703 9.402 9.086 318 HB ILE 41 HB ILE 41 57.931 9.766 7.969 319 1HG1 ILE 41 HG12 ILE 41 58.989 7.873 9.178 320 2HG1 ILE 41 HG11 ILE 41 57.840 8.097 10.496 321 1HG2 ILE 41 HG21 ILE 41 58.511 11.520 9.868 322 2HG2 ILE 41 HG23 ILE 41 59.098 10.087 10.711 323 3HG2 ILE 41 HG22 ILE 41 59.781 10.532 9.147 324 1HD1 ILE 41 HD13 ILE 41 56.800 7.791 7.700 325 2HD1 ILE 41 HD12 ILE 41 57.307 6.355 8.590 326 3HD1 ILE 41 HD11 ILE 41 56.023 7.382 9.229 327 H SER 42 HN SER 42 54.476 9.379 10.872 328 HA SER 42 HA SER 42 55.998 9.658 13.363 329 1HB SER 42 HB2 SER 42 54.528 11.109 14.394 330 2HB SER 42 HB1 SER 42 54.469 11.716 12.736 331 HG SER 42 HG SER 42 52.390 11.281 13.804 332 H LEU 43 HN LEU 43 55.594 7.305 12.245 333 HA LEU 43 HA LEU 43 53.352 6.218 13.835 334 1HB LEU 43 HB2 LEU 43 54.723 4.845 11.506 335 2HB LEU 43 HB1 LEU 43 53.228 4.352 12.300 336 HG LEU 43 HG LEU 43 53.303 7.113 11.188 337 1HD1 LEU 43 HD11 LEU 43 54.302 5.205 9.553 338 2HD1 LEU 43 HD13 LEU 43 52.579 4.968 9.260 339 3HD1 LEU 43 HD12 LEU 43 53.316 6.544 8.967 340 1HD2 LEU 43 HD22 LEU 43 51.359 5.914 12.386 341 2HD2 LEU 43 HD21 LEU 43 50.983 6.708 10.857 342 3HD2 LEU 43 HD23 LEU 43 51.199 4.959 10.911 343 H GLY 44 HN GLY 44 56.685 6.530 13.604 344 1HA GLY 44 HA2 GLY 44 57.546 5.452 15.897 345 2HA GLY 44 HA1 GLY 44 57.256 3.967 14.989 346 HA PRO 45 HA PRO 45 61.562 5.571 13.922 347 1HB PRO 45 HB2 PRO 45 62.938 3.587 15.160 348 2HB PRO 45 HB1 PRO 45 62.439 5.068 15.988 349 1HG PRO 45 HG2 PRO 45 61.352 2.331 16.232 350 2HG PRO 45 HG1 PRO 45 61.401 3.639 17.422 351 1HD PRO 45 HD2 PRO 45 59.177 2.856 15.916 352 2HD PRO 45 HD1 PRO 45 59.322 4.340 16.859 353 H ARG 46 HN ARG 46 60.958 2.060 14.358 354 HA ARG 46 HA ARG 46 62.359 1.098 12.165 355 1HB ARG 46 HB2 ARG 46 61.091 -0.870 12.331 356 2HB ARG 46 HB1 ARG 46 60.909 -0.169 13.935 357 1HG ARG 46 HG2 ARG 46 58.908 0.339 11.715 358 2HG ARG 46 HG1 ARG 46 58.765 -1.016 12.825 359 1HD ARG 46 HD2 ARG 46 59.167 1.732 13.952 360 2HD ARG 46 HD1 ARG 46 57.569 1.267 13.375 361 HE ARG 46 HE ARG 46 58.389 -0.842 15.012 362 1HH1 ARG 46 HH21 ARG 46 56.639 1.974 15.172 363 2HH1 ARG 46 HH22 ARG 46 56.783 2.196 16.883 364 1HH2 ARG 46 HH12 ARG 46 59.144 -0.313 17.278 365 2HH2 ARG 46 HH11 ARG 46 58.201 0.900 18.076 366 H CYS 47 HN CYS 47 59.265 2.745 12.200 367 HA CYS 47 HA CYS 47 58.457 2.206 9.507 368 1HB CYS 47 HB2 CYS 47 57.528 3.743 11.703 369 2HB CYS 47 HB1 CYS 47 57.679 4.855 10.341 370 H ILE 48 HN ILE 48 60.106 5.088 10.833 371 HA ILE 48 HA ILE 48 60.405 6.634 8.614 372 HB ILE 48 HB ILE 48 62.945 6.073 10.109 373 1HG1 ILE 48 HG12 ILE 48 61.342 5.948 11.911 374 2HG1 ILE 48 HG11 ILE 48 62.043 7.565 11.952 375 1HG2 ILE 48 HG23 ILE 48 62.801 7.857 8.397 376 2HG2 ILE 48 HG22 ILE 48 61.491 8.610 9.308 377 3HG2 ILE 48 HG21 ILE 48 63.109 8.519 10.004 378 1HD1 ILE 48 HD13 ILE 48 60.099 8.428 10.685 379 2HD1 ILE 48 HD12 ILE 48 59.390 6.814 10.693 380 3HD1 ILE 48 HD11 ILE 48 59.605 7.689 12.208 381 H LYS 49 HN LYS 49 62.979 4.244 9.341 382 HA LYS 49 HA LYS 49 63.890 4.354 6.577 383 1HB LYS 49 HB2 LYS 49 65.311 4.022 8.709 384 2HB LYS 49 HB1 LYS 49 64.800 2.336 8.616 385 1HG LYS 49 HG2 LYS 49 66.054 1.920 6.750 386 2HG LYS 49 HG1 LYS 49 65.778 3.529 6.081 387 1HD LYS 49 HD2 LYS 49 67.866 4.058 6.746 388 2HD LYS 49 HD1 LYS 49 67.272 3.981 8.405 389 1HE LYS 49 HE2 LYS 49 68.151 1.884 8.772 390 2HE LYS 49 HE1 LYS 49 67.975 1.401 7.086 391 1HZ LYS 49 HZ3 LYS 49 69.766 3.172 6.672 392 2HZ LYS 49 HZ2 LYS 49 70.086 3.036 8.335 393 3HZ LYS 49 HZ1 LYS 49 70.242 1.680 7.321 394 H ALA 50 HN ALA 50 61.646 2.324 8.296 395 HA ALA 50 HA ALA 50 62.010 0.027 6.575 396 1HB ALA 50 HB1 ALA 50 59.651 0.835 8.303 397 2HB ALA 50 HB3 ALA 50 59.835 -0.732 7.514 398 3HB ALA 50 HB2 ALA 50 60.962 -0.242 8.780 399 H PHE 51 HN PHE 51 59.345 2.351 6.880 400 HA PHE 51 HA PHE 51 58.233 1.732 4.366 401 1HB PHE 51 HB2 PHE 51 56.659 3.310 4.867 402 2HB PHE 51 HB1 PHE 51 57.351 3.176 6.478 403 HD1 PHE 51 HD2 PHE 51 57.641 5.122 3.278 404 HD2 PHE 51 HD1 PHE 51 58.302 5.059 7.505 405 HE1 PHE 51 HE2 PHE 51 58.296 7.518 3.229 406 HE2 PHE 51 HE1 PHE 51 58.963 7.427 7.452 407 HZ PHE 51 HZ PHE 51 58.949 8.663 5.331 408 H THR 52 HN THR 52 60.369 4.390 5.407 409 HA THR 52 HA THR 52 60.524 5.688 2.912 410 HB THR 52 HB THR 52 62.687 5.369 5.013 411 HG1 THR 52 HG1 THR 52 61.229 7.700 4.569 412 1HG2 THR 52 HG21 THR 52 63.383 6.068 2.627 413 2HG2 THR 52 HG23 THR 52 62.496 7.556 2.948 414 3HG2 THR 52 HG22 THR 52 63.873 7.117 3.957 415 H GLU 53 HN GLU 53 62.417 2.980 4.157 416 HA GLU 53 HA GLU 53 64.200 2.711 1.957 417 1HB GLU 53 HB2 GLU 53 64.737 1.683 4.051 418 2HB GLU 53 HB1 GLU 53 63.233 0.766 4.021 419 1HG GLU 53 HG2 GLU 53 65.108 -0.670 3.348 420 2HG GLU 53 HG1 GLU 53 64.003 -0.426 1.995 421 H CYS 54 HN CYS 54 61.075 1.160 2.644 422 HA CYS 54 HA CYS 54 61.200 -0.528 0.280 423 1HB CYS 54 HB2 CYS 54 59.121 0.124 2.340 424 2HB CYS 54 HB1 CYS 54 58.654 -0.712 0.857 425 H CYS 55 HN CYS 55 60.051 2.638 1.043 426 HA CYS 55 HA CYS 55 58.471 2.883 -1.414 427 1HB CYS 55 HB2 CYS 55 57.463 4.244 0.117 428 2HB CYS 55 HB1 CYS 55 58.926 4.408 1.069 429 H VAL 56 HN VAL 56 61.707 3.505 -0.313 430 HA VAL 56 HA VAL 56 62.348 5.270 -2.576 431 HB VAL 56 HB VAL 56 64.165 3.855 -0.586 432 1HG1 VAL 56 HG11 VAL 56 64.904 4.836 -2.991 433 2HG1 VAL 56 HG13 VAL 56 65.008 6.310 -2.026 434 3HG1 VAL 56 HG12 VAL 56 65.949 4.889 -1.571 435 1HG2 VAL 56 HG22 VAL 56 62.384 5.919 -0.092 436 2HG2 VAL 56 HG21 VAL 56 63.820 5.557 0.865 437 3HG2 VAL 56 HG23 VAL 56 63.895 6.770 -0.412 438 H VAL 57 HN VAL 57 62.990 1.926 -1.568 439 HA VAL 57 HA VAL 57 64.445 1.224 -3.946 440 HB VAL 57 HB VAL 57 63.919 -1.101 -3.294 441 1HG1 VAL 57 HG13 VAL 57 64.651 0.749 -1.008 442 2HG1 VAL 57 HG12 VAL 57 64.845 -1.003 -0.950 443 3HG1 VAL 57 HG11 VAL 57 65.763 -0.051 -2.117 444 1HG2 VAL 57 HG22 VAL 57 62.088 0.258 -1.300 445 2HG2 VAL 57 HG21 VAL 57 61.614 -0.824 -2.605 446 3HG2 VAL 57 HG23 VAL 57 62.522 -1.450 -1.230 447 H ALA 58 HN ALA 58 61.104 1.099 -2.852 448 HA ALA 58 HA ALA 58 59.971 0.021 -5.246 449 1HB ALA 58 HB1 ALA 58 58.831 1.911 -3.159 450 2HB ALA 58 HB3 ALA 58 57.873 1.118 -4.409 451 3HB ALA 58 HB2 ALA 58 58.671 0.155 -3.165 452 H SER 59 HN SER 59 61.096 3.115 -4.180 453 HA SER 59 HA SER 59 59.893 4.809 -6.115 454 1HB SER 59 HB2 SER 59 61.328 5.339 -4.014 455 2HB SER 59 HB1 SER 59 62.677 5.281 -5.144 456 HG SER 59 HG SER 59 60.845 7.212 -4.763 457 H GLN 60 HN GLN 60 62.979 3.071 -6.114 458 HA GLN 60 HA GLN 60 63.755 3.916 -8.772 459 1HB GLN 60 HB2 GLN 60 64.882 2.447 -6.599 460 2HB GLN 60 HB1 GLN 60 64.978 1.450 -8.052 461 1HG GLN 60 HG2 GLN 60 66.259 3.045 -9.211 462 2HG GLN 60 HG1 GLN 60 65.740 4.357 -8.150 463 1HE2 GLN 60 HE22 GLN 60 68.130 3.568 -5.588 464 2HE2 GLN 60 HE21 GLN 60 66.621 4.295 -5.863 465 H LEU 61 HN LEU 61 61.861 1.332 -7.430 466 HA LEU 61 HA LEU 61 61.961 -0.419 -9.716 467 1HB LEU 61 HB2 LEU 61 60.108 -0.104 -7.356 468 2HB LEU 61 HB1 LEU 61 59.808 -1.308 -8.599 469 HG LEU 61 HG LEU 61 62.141 -1.104 -6.729 470 1HD1 LEU 61 HD11 LEU 61 59.934 -3.063 -7.274 471 2HD1 LEU 61 HD13 LEU 61 61.444 -3.626 -6.563 472 3HD1 LEU 61 HD12 LEU 61 60.478 -2.409 -5.730 473 1HD2 LEU 61 HD23 LEU 61 61.963 -2.341 -9.432 474 2HD2 LEU 61 HD22 LEU 61 63.369 -1.698 -8.585 475 3HD2 LEU 61 HD21 LEU 61 62.747 -3.294 -8.171 476 H ARG 62 HN ARG 62 59.961 2.289 -8.688 477 HA ARG 62 HA ARG 62 58.339 1.987 -11.139 478 1HB ARG 62 HB2 ARG 62 56.812 3.614 -10.138 479 2HB ARG 62 HB1 ARG 62 57.134 2.309 -8.997 480 1HG ARG 62 HG2 ARG 62 58.713 3.661 -7.783 481 2HG ARG 62 HG1 ARG 62 58.662 4.922 -9.013 482 1HD ARG 62 HD2 ARG 62 57.252 5.708 -7.264 483 2HD ARG 62 HD1 ARG 62 56.156 5.107 -8.506 484 HE ARG 62 HE ARG 62 56.786 3.681 -5.957 485 1HH1 ARG 62 HH12 ARG 62 55.311 3.535 -9.032 486 2HH1 ARG 62 HH11 ARG 62 53.880 2.738 -8.474 487 1HH2 ARG 62 HH21 ARG 62 54.769 2.910 -5.128 488 2HH2 ARG 62 HH22 ARG 62 53.574 2.381 -6.265 489 H ALA 63 HN ALA 63 61.091 3.684 -10.112 490 HA ALA 63 HA ALA 63 60.484 5.983 -11.898 491 1HB ALA 63 HB3 ALA 63 61.442 6.293 -9.541 492 2HB ALA 63 HB2 ALA 63 62.945 5.629 -10.181 493 3HB ALA 63 HB1 ALA 63 62.288 7.125 -10.845 494 H ASN 64 HN ASN 64 61.956 2.956 -12.041 495 HA ASN 64 HA ASN 64 63.543 3.849 -14.412 496 1HB ASN 64 HB2 ASN 64 64.572 2.775 -11.992 497 2HB ASN 64 HB1 ASN 64 64.748 1.529 -13.228 498 1HD2 ASN 64 HD22 ASN 64 67.756 3.296 -13.998 499 2HD2 ASN 64 HD21 ASN 64 67.122 1.937 -13.202 500 H ILE 65 HN ILE 65 61.299 1.590 -13.068 501 HA ILE 65 HA ILE 65 61.606 -0.126 -15.498 502 HB ILE 65 HB ILE 65 60.073 -0.976 -13.055 503 1HG1 ILE 65 HG12 ILE 65 62.271 -0.178 -12.244 504 2HG1 ILE 65 HG11 ILE 65 62.159 -1.935 -12.144 505 1HG2 ILE 65 HG22 ILE 65 61.254 -2.178 -15.492 506 2HG2 ILE 65 HG21 ILE 65 61.440 -3.124 -14.016 507 3HG2 ILE 65 HG23 ILE 65 59.831 -2.667 -14.572 508 1HD1 ILE 65 HD11 ILE 65 63.140 -1.178 -14.747 509 2HD1 ILE 65 HD13 ILE 65 64.128 -0.420 -13.497 510 3HD1 ILE 65 HD12 ILE 65 63.923 -2.172 -13.519 511 H SER 66 HN SER 66 59.361 -1.220 -16.023 512 HA SER 66 HA SER 66 56.952 0.241 -15.433 513 1HB SER 66 HB2 SER 66 58.168 1.903 -16.895 514 2HB SER 66 HB1 SER 66 58.100 0.720 -18.198 515 HG SER 66 HG SER 66 56.077 1.204 -18.484 516 H HIS 67 HN HIS 67 56.994 -2.297 -15.199 517 HA HIS 67 HA HIS 67 55.211 -3.395 -17.133 518 1HB HIS 67 HB2 HIS 67 57.927 -3.454 -17.948 519 2HB HIS 67 HB1 HIS 67 57.513 -5.098 -17.470 520 HD1 HIS 67 HD1 HIS 67 57.782 -3.637 -20.468 521 HD2 HIS 67 HD2 HIS 67 54.385 -5.141 -18.576 522 HE1 HIS 67 HE1 HIS 67 56.099 -4.120 -22.298 523 H LYS 68 HN LYS 68 56.135 -6.171 -16.825 524 HA LYS 68 HA LYS 68 54.898 -6.970 -14.482 525 1HB LYS 68 HB2 LYS 68 57.295 -8.156 -15.898 526 2HB LYS 68 HB1 LYS 68 56.552 -8.942 -14.505 527 1HG LYS 68 HG2 LYS 68 54.492 -8.147 -16.350 528 2HG LYS 68 HG1 LYS 68 55.717 -9.080 -17.212 529 1HD LYS 68 HD2 LYS 68 55.393 -10.456 -14.807 530 2HD LYS 68 HD1 LYS 68 53.754 -9.980 -15.252 531 1HE LYS 68 HE2 LYS 68 53.761 -11.754 -16.651 532 2HE LYS 68 HE1 LYS 68 54.860 -10.815 -17.662 533 1HZ LYS 68 HZ1 LYS 68 56.521 -11.804 -15.803 534 2HZ LYS 68 HZ3 LYS 68 55.406 -13.073 -15.946 535 3HZ LYS 68 HZ2 LYS 68 56.243 -12.520 -17.318 536 H ASP 69 HN ASP 69 58.286 -5.970 -14.824 537 HA ASP 69 HA ASP 69 59.063 -6.406 -12.132 538 1HB ASP 69 HB2 ASP 69 60.092 -4.711 -14.395 539 2HB ASP 69 HB1 ASP 69 60.752 -4.496 -12.774 540 H MET 70 HN MET 70 58.265 -3.328 -13.799 541 HA MET 70 HA MET 70 57.959 -1.879 -11.325 542 1HB MET 70 HB2 MET 70 58.337 -1.013 -13.778 543 2HB MET 70 HB1 MET 70 56.575 -1.049 -13.859 544 1HG MET 70 HG2 MET 70 57.854 0.219 -11.474 545 2HG MET 70 HG1 MET 70 57.851 1.113 -12.995 546 1HE MET 70 HE1 MET 70 56.100 1.805 -14.275 547 2HE MET 70 HE3 MET 70 55.038 0.400 -14.445 548 3HE MET 70 HE2 MET 70 54.392 1.932 -13.862 549 H GLN 71 HN GLN 71 55.380 -2.493 -13.730 550 HA GLN 71 HA GLN 71 53.129 -1.993 -12.291 551 1HB GLN 71 HB2 GLN 71 53.665 -3.457 -14.582 552 2HB GLN 71 HB1 GLN 71 52.895 -4.639 -13.525 553 1HG GLN 71 HG2 GLN 71 50.921 -3.373 -13.335 554 2HG GLN 71 HG1 GLN 71 51.715 -1.888 -13.860 555 1HE2 GLN 71 HE22 GLN 71 49.772 -3.131 -16.775 556 2HE2 GLN 71 HE21 GLN 71 49.408 -2.540 -15.227 557 H LEU 72 HN LEU 72 54.962 -5.069 -12.021 558 HA LEU 72 HA LEU 72 53.360 -5.727 -9.590 559 1HB LEU 72 HB2 LEU 72 54.689 -7.253 -11.684 560 2HB LEU 72 HB1 LEU 72 55.170 -7.801 -10.083 561 HG LEU 72 HG LEU 72 52.698 -7.830 -9.493 562 1HD1 LEU 72 HD13 LEU 72 52.020 -6.325 -11.343 563 2HD1 LEU 72 HD12 LEU 72 52.468 -7.575 -12.503 564 3HD1 LEU 72 HD11 LEU 72 51.134 -7.850 -11.382 565 1HD2 LEU 72 HD22 LEU 72 54.163 -9.639 -11.316 566 2HD2 LEU 72 HD21 LEU 72 53.298 -10.009 -9.824 567 3HD2 LEU 72 HD23 LEU 72 52.410 -9.838 -11.337 568 H GLY 73 HN GLY 73 56.742 -6.350 -10.411 569 1HA GLY 73 HA2 GLY 73 57.955 -6.402 -7.988 570 2HA GLY 73 HA1 GLY 73 58.715 -5.596 -9.356 571 H ARG 74 HN ARG 74 57.258 -3.349 -9.725 572 HA ARG 74 HA ARG 74 57.522 -1.118 -8.888 573 1HB ARG 74 HB2 ARG 74 55.596 -0.602 -7.523 574 2HB ARG 74 HB1 ARG 74 55.131 -1.848 -8.681 575 1HG ARG 74 HG2 ARG 74 54.289 -2.839 -6.792 576 2HG ARG 74 HG1 ARG 74 55.943 -3.432 -6.655 577 1HD ARG 74 HD2 ARG 74 56.518 -1.567 -5.173 578 2HD ARG 74 HD1 ARG 74 54.898 -0.896 -5.359 579 HE ARG 74 HE ARG 74 55.633 -3.057 -3.585 580 1HH1 ARG 74 HH21 ARG 74 53.145 -1.118 -4.762 581 2HH1 ARG 74 HH22 ARG 74 51.864 -2.193 -4.312 582 1HH2 ARG 74 HH12 ARG 74 53.991 -4.768 -3.381 583 2HH2 ARG 74 HH11 ARG 74 52.342 -4.258 -3.530 No H/Q in entry = 583 Start of MODEL 15 1 H MET 1 HN MET 1 55.667 -9.766 -10.579 2 HA MET 1 HA MET 1 55.763 -10.243 -7.707 3 1HB MET 1 HB2 MET 1 57.576 -8.938 -9.704 4 2HB MET 1 HB1 MET 1 57.841 -8.705 -7.975 5 1HG MET 1 HG2 MET 1 59.045 -10.635 -8.152 6 2HG MET 1 HG1 MET 1 57.458 -11.399 -8.055 7 1HE MET 1 HE3 MET 1 56.320 -12.382 -9.379 8 2HE MET 1 HE2 MET 1 56.304 -12.418 -11.140 9 3HE MET 1 HE1 MET 1 57.292 -13.575 -10.251 10 H LEU 2 HN LEU 2 53.606 -8.910 -7.541 11 HA LEU 2 HA LEU 2 53.865 -6.021 -7.654 12 1HB LEU 2 HB2 LEU 2 51.681 -7.378 -7.717 13 2HB LEU 2 HB1 LEU 2 51.880 -7.571 -5.977 14 HG LEU 2 HG LEU 2 52.202 -4.954 -6.026 15 1HD1 LEU 2 HD13 LEU 2 51.159 -5.640 -8.716 16 2HD1 LEU 2 HD12 LEU 2 50.350 -4.300 -7.901 17 3HD1 LEU 2 HD11 LEU 2 52.089 -4.236 -8.193 18 1HD2 LEU 2 HD22 LEU 2 49.618 -6.505 -6.248 19 2HD2 LEU 2 HD21 LEU 2 50.391 -5.870 -4.796 20 3HD2 LEU 2 HD23 LEU 2 49.624 -4.768 -5.940 21 H GLN 3 HN GLN 3 55.550 -8.048 -5.805 22 HA GLN 3 HA GLN 3 56.308 -6.146 -3.845 23 1HB GLN 3 HB2 GLN 3 55.191 -6.910 -1.852 24 2HB GLN 3 HB1 GLN 3 53.938 -6.625 -3.059 25 1HG GLN 3 HG2 GLN 3 54.826 -9.293 -3.427 26 2HG GLN 3 HG1 GLN 3 54.577 -9.071 -1.695 27 1HE2 GLN 3 HE22 GLN 3 51.087 -9.267 -2.029 28 2HE2 GLN 3 HE21 GLN 3 52.462 -9.481 -1.056 29 H LYS 4 HN LYS 4 57.925 -7.674 -5.288 30 HA LYS 4 HA LYS 4 58.559 -10.143 -3.791 31 1HB LYS 4 HB2 LYS 4 58.632 -9.655 -6.444 32 2HB LYS 4 HB1 LYS 4 60.295 -9.237 -6.028 33 1HG LYS 4 HG2 LYS 4 59.061 -11.789 -5.010 34 2HG LYS 4 HG1 LYS 4 59.758 -11.714 -6.628 35 1HD LYS 4 HD2 LYS 4 61.627 -12.351 -5.416 36 2HD LYS 4 HD1 LYS 4 61.790 -10.598 -5.333 37 1HE LYS 4 HE2 LYS 4 61.877 -10.904 -3.086 38 2HE LYS 4 HE1 LYS 4 60.130 -11.119 -3.197 39 1HZ LYS 4 HZ2 LYS 4 62.005 -13.369 -3.598 40 2HZ LYS 4 HZ1 LYS 4 61.452 -12.935 -2.052 41 3HZ LYS 4 HZ3 LYS 4 60.346 -13.428 -3.239 42 H LYS 5 HN LYS 5 60.393 -7.271 -4.945 43 HA LYS 5 HA LYS 5 62.517 -7.823 -3.057 44 1HB LYS 5 HB2 LYS 5 63.400 -6.711 -4.871 45 2HB LYS 5 HB1 LYS 5 61.932 -5.775 -5.140 46 1HG LYS 5 HG2 LYS 5 63.696 -4.294 -4.365 47 2HG LYS 5 HG1 LYS 5 62.463 -4.432 -3.120 48 1HD LYS 5 HD2 LYS 5 63.944 -6.363 -2.196 49 2HD LYS 5 HD1 LYS 5 65.209 -5.659 -3.201 50 1HE LYS 5 HE2 LYS 5 63.627 -3.874 -1.381 51 2HE LYS 5 HE1 LYS 5 64.926 -4.858 -0.708 52 1HZ LYS 5 HZ1 LYS 5 65.524 -3.394 -3.152 53 2HZ LYS 5 HZ3 LYS 5 65.331 -2.465 -1.747 54 3HZ LYS 5 HZ2 LYS 5 66.503 -3.695 -1.795 55 H ILE 6 HN ILE 6 59.465 -6.415 -2.817 56 HA ILE 6 HA ILE 6 60.262 -4.683 -0.533 57 HB ILE 6 HB ILE 6 57.504 -4.995 -1.733 58 1HG1 ILE 6 HG12 ILE 6 59.419 -4.394 -3.367 59 2HG1 ILE 6 HG11 ILE 6 58.014 -3.324 -3.329 60 1HG2 ILE 6 HG22 ILE 6 58.680 -3.450 0.406 61 2HG2 ILE 6 HG21 ILE 6 58.060 -2.368 -0.839 62 3HG2 ILE 6 HG23 ILE 6 56.989 -3.548 -0.084 63 1HD1 ILE 6 HD13 ILE 6 60.364 -2.777 -1.535 64 2HD1 ILE 6 HD12 ILE 6 60.421 -2.288 -3.228 65 3HD1 ILE 6 HD11 ILE 6 59.165 -1.648 -2.168 66 H GLU 7 HN GLU 7 58.351 -7.537 -1.369 67 HA GLU 7 HA GLU 7 57.292 -7.893 1.315 68 1HB GLU 7 HB2 GLU 7 56.167 -8.916 -0.628 69 2HB GLU 7 HB1 GLU 7 57.609 -9.873 -0.967 70 1HG GLU 7 HG2 GLU 7 56.203 -11.345 0.245 71 2HG GLU 7 HG1 GLU 7 57.363 -10.764 1.440 72 H GLU 8 HN GLU 8 60.248 -8.533 -0.334 73 HA GLU 8 HA GLU 8 61.180 -10.603 1.484 74 1HB GLU 8 HB2 GLU 8 63.234 -10.491 0.278 75 2HB GLU 8 HB1 GLU 8 61.980 -10.198 -0.925 76 1HG GLU 8 HG2 GLU 8 62.363 -7.800 -0.846 77 2HG GLU 8 HG1 GLU 8 63.466 -7.991 0.528 78 H ILE 9 HN ILE 9 61.645 -7.097 1.131 79 HA ILE 9 HA ILE 9 63.428 -6.932 3.431 80 HB ILE 9 HB ILE 9 63.597 -5.248 1.667 81 1HG1 ILE 9 HG12 ILE 9 63.666 -3.300 3.055 82 2HG1 ILE 9 HG11 ILE 9 62.380 -3.912 4.093 83 1HG2 ILE 9 HG22 ILE 9 61.239 -5.301 0.941 84 2HG2 ILE 9 HG21 ILE 9 60.760 -4.523 2.449 85 3HG2 ILE 9 HG23 ILE 9 61.760 -3.653 1.286 86 1HD1 ILE 9 HD13 ILE 9 64.748 -5.671 3.868 87 2HD1 ILE 9 HD12 ILE 9 65.030 -4.135 4.687 88 3HD1 ILE 9 HD11 ILE 9 63.796 -5.241 5.288 89 H ALA 10 HN ALA 10 60.026 -6.918 2.867 90 HA ALA 10 HA ALA 10 59.284 -5.662 5.388 91 1HB ALA 10 HB1 ALA 10 57.847 -5.811 3.281 92 2HB ALA 10 HB3 ALA 10 57.588 -7.504 3.702 93 3HB ALA 10 HB2 ALA 10 57.045 -6.230 4.795 94 H ALA 11 HN ALA 11 59.465 -8.959 4.115 95 HA ALA 11 HA ALA 11 58.659 -10.222 6.590 96 1HB ALA 11 HB2 ALA 11 60.099 -11.278 4.143 97 2HB ALA 11 HB1 ALA 11 59.536 -12.291 5.473 98 3HB ALA 11 HB3 ALA 11 58.374 -11.402 4.487 99 H LYS 12 HN LYS 12 61.714 -9.184 5.172 100 HA LYS 12 HA LYS 12 63.201 -10.617 7.293 101 1HB LYS 12 HB2 LYS 12 65.183 -10.060 6.137 102 2HB LYS 12 HB1 LYS 12 64.008 -10.349 4.856 103 1HG LYS 12 HG2 LYS 12 64.440 -8.292 4.075 104 2HG LYS 12 HG1 LYS 12 63.739 -7.626 5.552 105 1HD LYS 12 HD2 LYS 12 65.915 -6.714 5.519 106 2HD LYS 12 HD1 LYS 12 66.068 -8.096 6.604 107 1HE LYS 12 HE2 LYS 12 67.265 -9.348 5.071 108 2HE LYS 12 HE1 LYS 12 66.528 -8.547 3.685 109 1HZ LYS 12 HZ1 LYS 12 67.869 -6.569 5.032 110 2HZ LYS 12 HZ3 LYS 12 68.923 -7.897 5.075 111 3HZ LYS 12 HZ2 LYS 12 68.353 -7.316 3.585 112 H TYR 13 HN TYR 13 61.460 -8.812 8.385 113 HA TYR 13 HA TYR 13 63.222 -6.546 9.217 114 1HB TYR 13 HB2 TYR 13 60.253 -6.833 8.951 115 2HB TYR 13 HB1 TYR 13 60.886 -5.763 10.198 116 HD1 TYR 13 HD1 TYR 13 63.330 -4.690 8.985 117 HD2 TYR 13 HD2 TYR 13 59.486 -5.438 7.228 118 HE1 TYR 13 HE1 TYR 13 63.777 -2.953 7.273 119 HE2 TYR 13 HE2 TYR 13 59.932 -3.705 5.516 120 HH TYR 13 HH TYR 13 63.043 -2.329 5.055 121 H LYS 14 HN LYS 14 63.617 -6.274 11.413 122 HA LYS 14 HA LYS 14 63.134 -8.634 13.103 123 1HB LYS 14 HB2 LYS 14 65.181 -6.747 12.928 124 2HB LYS 14 HB1 LYS 14 64.354 -6.339 14.432 125 1HG LYS 14 HG2 LYS 14 65.404 -8.062 15.427 126 2HG LYS 14 HG1 LYS 14 64.530 -9.164 14.362 127 1HD LYS 14 HD2 LYS 14 66.399 -9.620 13.194 128 2HD LYS 14 HD1 LYS 14 66.714 -7.903 12.938 129 1HE LYS 14 HE2 LYS 14 67.253 -8.994 15.660 130 2HE LYS 14 HE1 LYS 14 68.372 -9.445 14.373 131 1HZ LYS 14 HZ2 LYS 14 67.567 -6.656 14.994 132 2HZ LYS 14 HZ1 LYS 14 68.998 -7.384 15.546 133 3HZ LYS 14 HZ3 LYS 14 68.754 -7.150 13.884 134 H HIS 15 HN HIS 15 60.755 -7.240 12.422 135 HA HIS 15 HA HIS 15 59.590 -6.861 15.014 136 1HB HIS 15 HB2 HIS 15 60.910 -4.567 13.939 137 2HB HIS 15 HB1 HIS 15 59.174 -4.281 13.838 138 HD1 HIS 15 HD1 HIS 15 61.886 -3.929 16.139 139 HD2 HIS 15 HD2 HIS 15 57.887 -5.043 16.517 140 HE1 HIS 15 HE1 HIS 15 61.287 -3.631 18.581 141 H SER 16 HN SER 16 57.743 -7.939 14.431 142 HA SER 16 HA SER 16 56.535 -8.213 11.975 143 1HB SER 16 HB2 SER 16 55.575 -9.361 13.828 144 2HB SER 16 HB1 SER 16 55.247 -7.858 14.685 145 HG SER 16 HG SER 16 53.354 -8.543 13.730 146 H VAL 17 HN VAL 17 56.107 -5.340 14.099 147 HA VAL 17 HA VAL 17 54.115 -4.066 12.530 148 HB VAL 17 HB VAL 17 56.278 -2.726 14.172 149 1HG1 VAL 17 HG11 VAL 17 53.468 -1.882 13.393 150 2HG1 VAL 17 HG13 VAL 17 54.554 -0.971 14.442 151 3HG1 VAL 17 HG12 VAL 17 54.963 -1.207 12.743 152 1HG2 VAL 17 HG22 VAL 17 53.780 -4.215 14.902 153 2HG2 VAL 17 HG21 VAL 17 55.333 -4.164 15.735 154 3HG2 VAL 17 HG23 VAL 17 54.225 -2.798 15.853 155 H VAL 18 HN VAL 18 57.677 -3.911 12.301 156 HA VAL 18 HA VAL 18 57.910 -1.831 10.418 157 HB VAL 18 HB VAL 18 59.512 -4.385 10.195 158 1HG1 VAL 18 HG12 VAL 18 59.750 -2.302 8.664 159 2HG1 VAL 18 HG11 VAL 18 60.501 -1.555 10.074 160 3HG1 VAL 18 HG13 VAL 18 61.208 -3.003 9.364 161 1HG2 VAL 18 HG22 VAL 18 59.152 -2.923 12.580 162 2HG2 VAL 18 HG21 VAL 18 60.391 -4.128 12.236 163 3HG2 VAL 18 HG23 VAL 18 60.715 -2.427 11.938 164 H LYS 19 HN LYS 19 56.549 -4.995 10.099 165 HA LYS 19 HA LYS 19 56.774 -5.360 7.285 166 1HB LYS 19 HB2 LYS 19 55.932 -7.037 9.025 167 2HB LYS 19 HB1 LYS 19 54.387 -6.189 8.949 168 1HG LYS 19 HG2 LYS 19 53.865 -7.442 7.153 169 2HG LYS 19 HG1 LYS 19 55.144 -6.609 6.269 170 1HD LYS 19 HD2 LYS 19 56.508 -8.412 6.339 171 2HD LYS 19 HD1 LYS 19 56.172 -8.696 8.048 172 1HE LYS 19 HE2 LYS 19 55.159 -10.573 7.182 173 2HE LYS 19 HE1 LYS 19 53.802 -9.453 7.049 174 1HZ LYS 19 HZ2 LYS 19 55.744 -9.615 4.852 175 2HZ LYS 19 HZ1 LYS 19 54.568 -10.833 5.001 176 3HZ LYS 19 HZ3 LYS 19 54.094 -9.216 4.806 177 H LYS 20 HN LYS 20 54.142 -3.870 9.214 178 HA LYS 20 HA LYS 20 52.555 -3.078 6.976 179 1HB LYS 20 HB2 LYS 20 51.504 -3.020 9.107 180 2HB LYS 20 HB1 LYS 20 52.786 -2.027 9.795 181 1HG LYS 20 HG2 LYS 20 51.677 -0.156 9.212 182 2HG LYS 20 HG1 LYS 20 51.693 -0.650 7.518 183 1HD LYS 20 HD2 LYS 20 49.382 -0.339 8.313 184 2HD LYS 20 HD1 LYS 20 49.677 -2.030 7.908 185 1HE LYS 20 HE2 LYS 20 48.853 -2.468 9.977 186 2HE LYS 20 HE1 LYS 20 50.434 -1.939 10.550 187 1HZ LYS 20 HZ3 LYS 20 48.289 0.019 10.044 188 2HZ LYS 20 HZ2 LYS 20 48.347 -0.835 11.513 189 3HZ LYS 20 HZ1 LYS 20 49.644 0.161 11.053 190 H CYS 21 HN CYS 21 54.998 -1.314 8.865 191 HA CYS 21 HA CYS 21 54.922 1.178 7.618 192 1HB CYS 21 HB2 CYS 21 57.258 -0.440 8.658 193 2HB CYS 21 HB1 CYS 21 57.434 1.222 8.102 194 H CYS 22 HN CYS 22 56.823 -1.657 6.588 195 HA CYS 22 HA CYS 22 57.750 -0.400 4.156 196 1HB CYS 22 HB2 CYS 22 59.083 -2.192 4.933 197 2HB CYS 22 HB1 CYS 22 57.689 -3.241 5.181 198 H TYR 23 HN TYR 23 54.890 -2.139 5.123 199 HA TYR 23 HA TYR 23 53.953 -3.001 2.595 200 1HB TYR 23 HB2 TYR 23 52.867 -2.650 5.227 201 2HB TYR 23 HB1 TYR 23 51.718 -2.057 4.044 202 HD1 TYR 23 HD2 TYR 23 51.386 -3.559 1.909 203 HD2 TYR 23 HD1 TYR 23 52.948 -4.896 5.669 204 HE1 TYR 23 HE2 TYR 23 50.792 -5.895 1.318 205 HE2 TYR 23 HE1 TYR 23 52.362 -7.197 5.083 206 HH TYR 23 HH TYR 23 51.320 -8.122 1.900 207 H ASP 24 HN ASP 24 53.311 0.057 4.335 208 HA ASP 24 HA ASP 24 51.980 1.290 2.088 209 1HB ASP 24 HB2 ASP 24 53.426 2.821 4.245 210 2HB ASP 24 HB1 ASP 24 51.954 3.264 3.385 211 H GLY 25 HN GLY 25 55.306 1.448 3.372 212 1HA GLY 25 HA2 GLY 25 56.497 3.327 1.749 213 2HA GLY 25 HA1 GLY 25 57.305 1.807 2.152 214 H ALA 26 HN ALA 26 56.056 -0.104 0.783 215 HA ALA 26 HA ALA 26 56.750 0.390 -1.974 216 1HB ALA 26 HB2 ALA 26 56.186 -1.869 -0.367 217 2HB ALA 26 HB1 ALA 26 54.988 -1.879 -1.663 218 3HB ALA 26 HB3 ALA 26 56.709 -1.863 -2.052 219 H CYS 27 HN CYS 27 53.743 0.418 -0.128 220 HA CYS 27 HA CYS 27 52.120 0.778 -2.564 221 1HB CYS 27 HB2 CYS 27 51.521 0.602 0.384 222 2HB CYS 27 HB1 CYS 27 50.295 1.168 -0.751 223 HG CYS 27 HG CYS 27 50.955 -1.229 -2.050 224 H VAL 28 HN VAL 28 54.228 2.738 -1.356 225 HA VAL 28 HA VAL 28 53.511 5.075 -0.322 226 HB VAL 28 HB VAL 28 55.614 5.148 -1.300 227 1HG1 VAL 28 HG11 VAL 28 54.251 3.749 -3.508 228 2HG1 VAL 28 HG13 VAL 28 55.571 4.807 -4.001 229 3HG1 VAL 28 HG12 VAL 28 55.867 3.510 -2.844 230 1HG2 VAL 28 HG22 VAL 28 53.949 7.167 -2.018 231 2HG2 VAL 28 HG21 VAL 28 55.657 7.135 -2.456 232 3HG2 VAL 28 HG23 VAL 28 54.439 6.604 -3.616 233 H ASN 29 HN ASN 29 52.207 6.862 -0.731 234 HA ASN 29 HA ASN 29 49.725 6.681 -1.848 235 1HB ASN 29 HB2 ASN 29 51.606 8.994 -1.579 236 2HB ASN 29 HB1 ASN 29 50.100 9.232 -2.466 237 1HD2 ASN 29 HD22 ASN 29 49.155 10.000 0.988 238 2HD2 ASN 29 HD21 ASN 29 49.987 10.722 -0.303 239 H ASN 30 HN ASN 30 51.640 8.874 -3.789 240 HA ASN 30 HA ASN 30 51.710 7.123 -6.120 241 1HB ASN 30 HB2 ASN 30 49.325 7.734 -6.118 242 2HB ASN 30 HB1 ASN 30 49.755 9.443 -6.058 243 1HD2 ASN 30 HD22 ASN 30 50.251 9.666 -9.532 244 2HD2 ASN 30 HD21 ASN 30 50.078 10.472 -8.049 245 H ASP 31 HN ASP 31 53.568 8.792 -4.606 246 HA ASP 31 HA ASP 31 54.769 10.199 -6.857 247 1HB ASP 31 HB2 ASP 31 54.817 12.420 -5.725 248 2HB ASP 31 HB1 ASP 31 53.182 11.917 -6.152 249 H GLU 32 HN GLU 32 56.918 11.042 -6.275 250 HA GLU 32 HA GLU 32 58.596 9.337 -4.947 251 1HB GLU 32 HB2 GLU 32 58.734 12.102 -5.780 252 2HB GLU 32 HB1 GLU 32 59.613 11.878 -4.267 253 1HG GLU 32 HG2 GLU 32 60.956 10.117 -5.219 254 2HG GLU 32 HG1 GLU 32 59.967 10.083 -6.681 255 H THR 33 HN THR 33 57.931 12.405 -3.256 256 HA THR 33 HA THR 33 58.533 11.493 -0.677 257 HB THR 33 HB THR 33 56.810 13.331 0.025 258 HG1 THR 33 HG1 THR 33 55.815 14.300 -1.546 259 1HG2 THR 33 HG21 THR 33 59.424 13.415 -0.474 260 2HG2 THR 33 HG23 THR 33 58.889 14.417 -1.824 261 3HG2 THR 33 HG22 THR 33 58.504 14.888 -0.169 262 H CYS 34 HN CYS 34 57.650 9.357 -0.471 263 HA CYS 34 HA CYS 34 54.855 8.772 -0.714 264 1HB CYS 34 HB2 CYS 34 55.548 6.900 1.050 265 2HB CYS 34 HB1 CYS 34 56.002 6.788 -0.643 266 H GLU 35 HN GLU 35 56.284 8.244 2.454 267 HA GLU 35 HA GLU 35 53.963 9.147 3.843 268 1HB GLU 35 HB2 GLU 35 56.832 8.853 4.737 269 2HB GLU 35 HB1 GLU 35 55.527 9.239 5.849 270 1HG GLU 35 HG2 GLU 35 55.183 6.904 4.017 271 2HG GLU 35 HG1 GLU 35 56.227 6.720 5.429 272 H GLN 36 HN GLN 36 56.905 10.786 2.809 273 HA GLN 36 HA GLN 36 56.627 13.236 4.185 274 1HB GLN 36 HB2 GLN 36 57.684 12.510 1.449 275 2HB GLN 36 HB1 GLN 36 57.601 14.200 1.952 276 1HG GLN 36 HG2 GLN 36 58.954 13.686 3.940 277 2HG GLN 36 HG1 GLN 36 59.021 11.988 3.466 278 1HE2 GLN 36 HE22 GLN 36 61.228 12.657 0.659 279 2HE2 GLN 36 HE21 GLN 36 59.899 11.687 1.078 280 H ARG 37 HN ARG 37 55.067 11.966 1.275 281 HA ARG 37 HA ARG 37 53.457 14.346 0.815 282 1HB ARG 37 HB2 ARG 37 53.797 12.849 -1.056 283 2HB ARG 37 HB1 ARG 37 53.196 11.473 -0.130 284 1HG ARG 37 HG2 ARG 37 51.539 12.504 -1.774 285 2HG ARG 37 HG1 ARG 37 50.966 12.336 -0.116 286 1HD ARG 37 HD2 ARG 37 50.388 14.560 -0.918 287 2HD ARG 37 HD1 ARG 37 51.646 14.709 0.308 288 HE ARG 37 HE ARG 37 53.014 14.554 -2.124 289 1HH1 ARG 37 HH21 ARG 37 50.253 16.059 -2.620 290 2HH1 ARG 37 HH22 ARG 37 50.839 17.689 -2.627 291 1HH2 ARG 37 HH12 ARG 37 53.931 16.865 -1.295 292 2HH2 ARG 37 HH11 ARG 37 52.920 18.145 -1.878 293 H ALA 38 HN ALA 38 53.149 11.332 2.632 294 HA ALA 38 HA ALA 38 50.447 11.285 3.298 295 1HB ALA 38 HB1 ALA 38 52.237 9.696 4.156 296 2HB ALA 38 HB3 ALA 38 52.679 10.937 5.328 297 3HB ALA 38 HB2 ALA 38 51.076 10.209 5.376 298 H ALA 39 HN ALA 39 52.853 12.794 5.425 299 HA ALA 39 HA ALA 39 51.748 15.401 5.462 300 1HB ALA 39 HB1 ALA 39 50.169 13.446 6.925 301 2HB ALA 39 HB3 ALA 39 50.785 14.695 8.008 302 3HB ALA 39 HB2 ALA 39 49.814 15.143 6.605 303 H ARG 40 HN ARG 40 52.984 12.814 7.477 304 HA ARG 40 HA ARG 40 55.494 14.026 8.029 305 1HB ARG 40 HB2 ARG 40 53.274 14.893 9.741 306 2HB ARG 40 HB1 ARG 40 54.610 14.180 10.647 307 1HG ARG 40 HG2 ARG 40 56.102 15.696 9.108 308 2HG ARG 40 HG1 ARG 40 54.611 16.611 8.883 309 1HD ARG 40 HD2 ARG 40 55.004 17.633 10.849 310 2HD ARG 40 HD1 ARG 40 54.784 16.079 11.651 311 HE ARG 40 HE ARG 40 57.175 15.810 11.707 312 1HH1 ARG 40 HH21 ARG 40 58.773 16.544 9.768 313 2HH1 ARG 40 HH22 ARG 40 59.157 18.226 9.922 314 1HH2 ARG 40 HH12 ARG 40 56.517 18.906 12.062 315 2HH2 ARG 40 HH11 ARG 40 57.880 19.563 11.219 316 H ILE 41 HN ILE 41 56.515 12.057 8.076 317 HA ILE 41 HA ILE 41 55.381 9.609 8.745 318 HB ILE 41 HB ILE 41 57.702 9.890 7.813 319 1HG1 ILE 41 HG12 ILE 41 58.578 7.925 9.061 320 2HG1 ILE 41 HG11 ILE 41 57.325 8.165 10.275 321 1HG2 ILE 41 HG21 ILE 41 58.205 11.569 9.808 322 2HG2 ILE 41 HG23 ILE 41 58.682 10.087 10.635 323 3HG2 ILE 41 HG22 ILE 41 59.485 10.558 9.137 324 1HD1 ILE 41 HD12 ILE 41 56.597 7.924 7.365 325 2HD1 ILE 41 HD11 ILE 41 56.846 6.481 8.349 326 3HD1 ILE 41 HD13 ILE 41 55.588 7.639 8.783 327 H SER 42 HN SER 42 54.024 9.582 10.432 328 HA SER 42 HA SER 42 55.359 9.760 13.040 329 1HB SER 42 HB2 SER 42 53.831 11.201 13.982 330 2HB SER 42 HB1 SER 42 53.864 11.828 12.332 331 HG SER 42 HG SER 42 52.103 10.180 12.012 332 H LEU 43 HN LEU 43 55.046 7.446 11.819 333 HA LEU 43 HA LEU 43 52.697 6.304 13.204 334 1HB LEU 43 HB2 LEU 43 54.188 5.330 10.752 335 2HB LEU 43 HB1 LEU 43 53.004 4.343 11.610 336 HG LEU 43 HG LEU 43 51.850 6.920 11.175 337 1HD1 LEU 43 HD13 LEU 43 53.119 5.648 8.734 338 2HD1 LEU 43 HD12 LEU 43 51.838 6.859 8.656 339 3HD1 LEU 43 HD11 LEU 43 53.404 7.274 9.355 340 1HD2 LEU 43 HD22 LEU 43 50.988 4.385 11.274 341 2HD2 LEU 43 HD21 LEU 43 50.071 5.640 10.440 342 3HD2 LEU 43 HD23 LEU 43 51.104 4.545 9.522 343 H GLY 44 HN GLY 44 56.031 6.632 13.242 344 1HA GLY 44 HA2 GLY 44 56.708 5.437 15.547 345 2HA GLY 44 HA1 GLY 44 56.529 4.008 14.529 346 HA PRO 45 HA PRO 45 60.864 5.824 13.940 347 1HB PRO 45 HB2 PRO 45 62.211 3.949 15.366 348 2HB PRO 45 HB1 PRO 45 61.552 5.417 16.096 349 1HG PRO 45 HG2 PRO 45 60.597 2.632 16.314 350 2HG PRO 45 HG1 PRO 45 60.447 3.972 17.459 351 1HD PRO 45 HD2 PRO 45 58.443 3.018 15.751 352 2HD PRO 45 HD1 PRO 45 58.400 4.525 16.666 353 H ARG 46 HN ARG 46 60.434 2.289 14.405 354 HA ARG 46 HA ARG 46 62.091 1.423 12.336 355 1HB ARG 46 HB2 ARG 46 60.972 -0.652 12.445 356 2HB ARG 46 HB1 ARG 46 60.710 0.044 14.041 357 1HG ARG 46 HG2 ARG 46 58.723 0.367 11.779 358 2HG ARG 46 HG1 ARG 46 58.650 -0.963 12.931 359 1HD ARG 46 HD2 ARG 46 58.669 1.957 13.737 360 2HD ARG 46 HD1 ARG 46 57.208 0.996 13.557 361 HE ARG 46 HE ARG 46 59.027 0.889 15.802 362 1HH1 ARG 46 HH12 ARG 46 59.519 -1.754 15.637 363 2HH1 ARG 46 HH11 ARG 46 58.059 -2.602 16.020 364 1HH2 ARG 46 HH21 ARG 46 56.012 0.148 15.498 365 2HH2 ARG 46 HH22 ARG 46 56.072 -1.525 15.941 366 H CYS 47 HN CYS 47 58.979 2.931 12.166 367 HA CYS 47 HA CYS 47 58.267 2.238 9.463 368 1HB CYS 47 HB2 CYS 47 57.235 3.862 11.574 369 2HB CYS 47 HB1 CYS 47 57.367 4.883 10.139 370 H ILE 48 HN ILE 48 59.775 5.208 10.785 371 HA ILE 48 HA ILE 48 60.132 6.730 8.567 372 HB ILE 48 HB ILE 48 62.613 6.199 10.176 373 1HG1 ILE 48 HG12 ILE 48 60.939 6.148 11.905 374 2HG1 ILE 48 HG11 ILE 48 61.615 7.774 11.911 375 1HG2 ILE 48 HG21 ILE 48 61.701 8.156 8.359 376 2HG2 ILE 48 HG23 ILE 48 61.702 8.928 9.945 377 3HG2 ILE 48 HG22 ILE 48 63.180 8.199 9.319 378 1HD1 ILE 48 HD13 ILE 48 59.723 8.544 10.505 379 2HD1 ILE 48 HD12 ILE 48 59.035 6.922 10.569 380 3HD1 ILE 48 HD11 ILE 48 59.171 7.880 12.042 381 H LYS 49 HN LYS 49 62.668 4.318 9.388 382 HA LYS 49 HA LYS 49 63.652 4.415 6.638 383 1HB LYS 49 HB2 LYS 49 64.556 3.319 9.214 384 2HB LYS 49 HB1 LYS 49 64.987 2.334 7.815 385 1HG LYS 49 HG2 LYS 49 65.449 5.031 7.076 386 2HG LYS 49 HG1 LYS 49 66.147 4.822 8.683 387 1HD LYS 49 HD2 LYS 49 67.850 3.611 7.849 388 2HD LYS 49 HD1 LYS 49 66.729 2.517 7.038 389 1HE LYS 49 HE2 LYS 49 66.867 5.123 5.726 390 2HE LYS 49 HE1 LYS 49 68.437 4.320 5.782 391 1HZ LYS 49 HZ2 LYS 49 67.327 2.309 4.904 392 2HZ LYS 49 HZ1 LYS 49 65.903 3.214 4.706 393 3HZ LYS 49 HZ3 LYS 49 67.294 3.621 3.826 394 H ALA 50 HN ALA 50 61.391 2.400 8.362 395 HA ALA 50 HA ALA 50 61.769 0.076 6.686 396 1HB ALA 50 HB3 ALA 50 59.388 0.951 8.356 397 2HB ALA 50 HB2 ALA 50 59.542 -0.624 7.578 398 3HB ALA 50 HB1 ALA 50 60.659 -0.162 8.862 399 H PHE 51 HN PHE 51 59.085 2.383 6.905 400 HA PHE 51 HA PHE 51 58.034 1.777 4.375 401 1HB PHE 51 HB2 PHE 51 56.488 3.409 4.817 402 2HB PHE 51 HB1 PHE 51 57.136 3.269 6.443 403 HD1 PHE 51 HD2 PHE 51 57.566 5.176 3.233 404 HD2 PHE 51 HD1 PHE 51 58.129 5.132 7.476 405 HE1 PHE 51 HE2 PHE 51 58.317 7.542 3.177 406 HE2 PHE 51 HE1 PHE 51 58.885 7.473 7.410 407 HZ PHE 51 HZ PHE 51 58.969 8.684 5.278 408 H THR 52 HN THR 52 60.197 4.433 5.404 409 HA THR 52 HA THR 52 60.413 5.671 2.888 410 HB THR 52 HB THR 52 62.520 5.386 5.046 411 HG1 THR 52 HG1 THR 52 61.754 7.666 5.282 412 1HG2 THR 52 HG22 THR 52 62.647 6.512 2.376 413 2HG2 THR 52 HG21 THR 52 62.912 7.754 3.600 414 3HG2 THR 52 HG23 THR 52 63.933 6.318 3.567 415 H GLU 53 HN GLU 53 62.182 2.928 4.188 416 HA GLU 53 HA GLU 53 64.030 2.623 2.035 417 1HB GLU 53 HB2 GLU 53 64.496 1.639 4.184 418 2HB GLU 53 HB1 GLU 53 63.011 0.695 4.097 419 1HG GLU 53 HG2 GLU 53 65.018 -0.657 3.509 420 2HG GLU 53 HG1 GLU 53 63.862 -0.552 2.180 421 H CYS 54 HN CYS 54 60.844 1.185 2.673 422 HA CYS 54 HA CYS 54 61.028 -0.565 0.340 423 1HB CYS 54 HB2 CYS 54 58.992 0.018 2.444 424 2HB CYS 54 HB1 CYS 54 58.451 -0.728 0.938 425 H CYS 55 HN CYS 55 59.861 2.604 1.051 426 HA CYS 55 HA CYS 55 58.256 2.809 -1.397 427 1HB CYS 55 HB2 CYS 55 57.276 4.294 0.022 428 2HB CYS 55 HB1 CYS 55 58.686 4.341 1.065 429 H VAL 56 HN VAL 56 61.457 3.615 -0.239 430 HA VAL 56 HA VAL 56 62.163 5.196 -2.599 431 HB VAL 56 HB VAL 56 63.931 3.898 -0.488 432 1HG1 VAL 56 HG12 VAL 56 64.461 5.965 -2.630 433 2HG1 VAL 56 HG11 VAL 56 65.557 5.665 -1.280 434 3HG1 VAL 56 HG13 VAL 56 65.222 4.384 -2.446 435 1HG2 VAL 56 HG22 VAL 56 62.111 5.836 0.010 436 2HG2 VAL 56 HG21 VAL 56 63.660 5.733 0.847 437 3HG2 VAL 56 HG23 VAL 56 63.467 6.832 -0.520 438 H VAL 57 HN VAL 57 62.760 1.906 -1.397 439 HA VAL 57 HA VAL 57 64.337 1.106 -3.664 440 HB VAL 57 HB VAL 57 63.833 -1.182 -2.938 441 1HG1 VAL 57 HG12 VAL 57 64.551 0.908 -0.926 442 2HG1 VAL 57 HG11 VAL 57 64.276 -0.733 -0.341 443 3HG1 VAL 57 HG13 VAL 57 65.523 -0.426 -1.549 444 1HG2 VAL 57 HG22 VAL 57 61.792 0.189 -1.170 445 2HG2 VAL 57 HG21 VAL 57 61.462 -0.932 -2.489 446 3HG2 VAL 57 HG23 VAL 57 62.249 -1.509 -1.019 447 H ALA 58 HN ALA 58 60.936 1.075 -2.764 448 HA ALA 58 HA ALA 58 59.965 -0.124 -5.195 449 1HB ALA 58 HB3 ALA 58 58.655 1.752 -3.198 450 2HB ALA 58 HB2 ALA 58 57.791 0.929 -4.497 451 3HB ALA 58 HB1 ALA 58 58.539 -0.008 -3.203 452 H SER 59 HN SER 59 61.095 2.965 -4.220 453 HA SER 59 HA SER 59 59.855 4.585 -6.231 454 1HB SER 59 HB2 SER 59 61.083 5.250 -4.050 455 2HB SER 59 HB1 SER 59 62.525 5.213 -5.058 456 HG SER 59 HG SER 59 60.157 6.727 -5.475 457 H GLN 60 HN GLN 60 62.975 2.937 -6.008 458 HA GLN 60 HA GLN 60 63.829 3.807 -8.667 459 1HB GLN 60 HB2 GLN 60 65.015 2.610 -6.348 460 2HB GLN 60 HB1 GLN 60 65.339 1.589 -7.751 461 1HG GLN 60 HG2 GLN 60 66.573 3.221 -8.822 462 2HG GLN 60 HG1 GLN 60 65.645 4.534 -8.090 463 1HE2 GLN 60 HE22 GLN 60 67.531 4.199 -4.929 464 2HE2 GLN 60 HE21 GLN 60 65.904 4.236 -5.410 465 H LEU 61 HN LEU 61 62.162 1.141 -7.242 466 HA LEU 61 HA LEU 61 62.592 -0.702 -9.445 467 1HB LEU 61 HB2 LEU 61 60.745 -0.624 -7.060 468 2HB LEU 61 HB1 LEU 61 60.661 -1.914 -8.249 469 HG LEU 61 HG LEU 61 62.946 -1.199 -6.446 470 1HD1 LEU 61 HD11 LEU 61 60.971 -3.391 -6.688 471 2HD1 LEU 61 HD13 LEU 61 62.622 -3.892 -6.324 472 3HD1 LEU 61 HD12 LEU 61 61.786 -2.766 -5.255 473 1HD2 LEU 61 HD22 LEU 61 62.912 -2.759 -9.013 474 2HD2 LEU 61 HD21 LEU 61 64.120 -1.612 -8.430 475 3HD2 LEU 61 HD23 LEU 61 64.021 -3.226 -7.725 476 H ARG 62 HN ARG 62 60.234 1.713 -8.487 477 HA ARG 62 HA ARG 62 58.617 1.072 -10.884 478 1HB ARG 62 HB2 ARG 62 56.811 2.202 -9.898 479 2HB ARG 62 HB1 ARG 62 57.592 1.415 -8.531 480 1HG ARG 62 HG2 ARG 62 58.688 3.467 -7.884 481 2HG ARG 62 HG1 ARG 62 58.164 4.273 -9.363 482 1HD ARG 62 HD2 ARG 62 56.264 4.900 -8.336 483 2HD ARG 62 HD1 ARG 62 55.836 3.205 -8.129 484 HE ARG 62 HE ARG 62 56.433 3.399 -5.856 485 1HH1 ARG 62 HH12 ARG 62 56.878 6.369 -7.408 486 2HH1 ARG 62 HH11 ARG 62 57.926 7.029 -6.200 487 1HH2 ARG 62 HH21 ARG 62 58.193 4.064 -4.425 488 2HH2 ARG 62 HH22 ARG 62 58.672 5.726 -4.514 489 H ALA 63 HN ALA 63 61.064 3.262 -9.904 490 HA ALA 63 HA ALA 63 60.146 5.308 -11.857 491 1HB ALA 63 HB3 ALA 63 60.890 6.047 -9.584 492 2HB ALA 63 HB2 ALA 63 62.493 5.404 -9.940 493 3HB ALA 63 HB1 ALA 63 61.853 6.747 -10.885 494 H ASN 64 HN ASN 64 61.470 2.538 -12.358 495 HA ASN 64 HA ASN 64 63.545 3.614 -14.219 496 1HB ASN 64 HB2 ASN 64 64.062 2.005 -11.986 497 2HB ASN 64 HB1 ASN 64 64.108 0.893 -13.356 498 1HD2 ASN 64 HD22 ASN 64 67.495 2.032 -13.588 499 2HD2 ASN 64 HD21 ASN 64 66.509 0.780 -13.003 500 H ILE 65 HN ILE 65 61.185 1.063 -13.510 501 HA ILE 65 HA ILE 65 61.266 0.336 -16.411 502 HB ILE 65 HB ILE 65 59.931 -1.444 -14.416 503 1HG1 ILE 65 HG12 ILE 65 62.501 -2.423 -14.457 504 2HG1 ILE 65 HG11 ILE 65 62.782 -0.684 -14.360 505 1HG2 ILE 65 HG21 ILE 65 60.460 -1.587 -17.096 506 2HG2 ILE 65 HG23 ILE 65 61.840 -2.458 -16.430 507 3HG2 ILE 65 HG22 ILE 65 60.199 -2.993 -16.064 508 1HD1 ILE 65 HD13 ILE 65 60.633 -1.409 -12.583 509 2HD1 ILE 65 HD12 ILE 65 62.039 -2.422 -12.253 510 3HD1 ILE 65 HD11 ILE 65 62.184 -0.666 -12.192 511 H SER 66 HN SER 66 58.727 -1.122 -16.168 512 HA SER 66 HA SER 66 56.607 0.509 -15.210 513 1HB SER 66 HB2 SER 66 57.826 1.796 -17.286 514 2HB SER 66 HB1 SER 66 56.616 0.856 -18.150 515 HG SER 66 HG SER 66 56.306 3.063 -16.661 516 H HIS 67 HN HIS 67 57.359 -2.284 -15.558 517 HA HIS 67 HA HIS 67 54.895 -3.207 -16.944 518 1HB HIS 67 HB2 HIS 67 57.333 -3.387 -18.179 519 2HB HIS 67 HB1 HIS 67 57.248 -4.940 -17.350 520 HD1 HIS 67 HD1 HIS 67 56.984 -4.634 -20.482 521 HD2 HIS 67 HD2 HIS 67 53.783 -4.967 -17.832 522 HE1 HIS 67 HE1 HIS 67 55.023 -5.495 -21.833 523 H LYS 68 HN LYS 68 55.942 -6.023 -16.586 524 HA LYS 68 HA LYS 68 54.729 -6.735 -14.204 525 1HB LYS 68 HB2 LYS 68 57.272 -7.987 -15.286 526 2HB LYS 68 HB1 LYS 68 56.113 -8.756 -14.202 527 1HG LYS 68 HG2 LYS 68 54.710 -7.705 -16.479 528 2HG LYS 68 HG1 LYS 68 56.053 -8.701 -17.039 529 1HD LYS 68 HD2 LYS 68 55.285 -10.604 -15.843 530 2HD LYS 68 HD1 LYS 68 54.178 -9.639 -14.866 531 1HE LYS 68 HE2 LYS 68 52.619 -10.336 -16.375 532 2HE LYS 68 HE1 LYS 68 53.290 -9.052 -17.380 533 1HZ LYS 68 HZ1 LYS 68 54.848 -10.689 -18.303 534 2HZ LYS 68 HZ3 LYS 68 54.096 -11.909 -17.397 535 3HZ LYS 68 HZ2 LYS 68 53.228 -11.097 -18.611 536 H ASP 69 HN ASP 69 58.162 -5.846 -14.576 537 HA ASP 69 HA ASP 69 58.860 -6.087 -11.840 538 1HB ASP 69 HB2 ASP 69 60.165 -5.366 -14.229 539 2HB ASP 69 HB1 ASP 69 60.315 -3.962 -13.172 540 H MET 70 HN MET 70 58.091 -3.162 -13.759 541 HA MET 70 HA MET 70 57.928 -1.458 -11.427 542 1HB MET 70 HB2 MET 70 58.409 -0.616 -13.717 543 2HB MET 70 HB1 MET 70 56.770 -1.052 -14.198 544 1HG MET 70 HG2 MET 70 57.032 0.636 -11.767 545 2HG MET 70 HG1 MET 70 57.405 1.410 -13.306 546 1HE MET 70 HE3 MET 70 55.606 2.627 -11.788 547 2HE MET 70 HE2 MET 70 55.062 3.136 -13.384 548 3HE MET 70 HE1 MET 70 53.888 2.561 -12.203 549 H GLN 71 HN GLN 71 55.278 -2.164 -13.721 550 HA GLN 71 HA GLN 71 53.118 -1.448 -12.180 551 1HB GLN 71 HB2 GLN 71 52.870 -2.333 -14.451 552 2HB GLN 71 HB1 GLN 71 53.328 -3.942 -13.892 553 1HG GLN 71 HG2 GLN 71 51.360 -4.020 -12.430 554 2HG GLN 71 HG1 GLN 71 50.912 -2.387 -12.923 555 1HE2 GLN 71 HE22 GLN 71 48.929 -3.867 -15.446 556 2HE2 GLN 71 HE21 GLN 71 48.968 -2.884 -14.063 557 H LEU 72 HN LEU 72 55.003 -4.453 -11.822 558 HA LEU 72 HA LEU 72 53.340 -5.122 -9.420 559 1HB LEU 72 HB2 LEU 72 54.411 -6.686 -11.575 560 2HB LEU 72 HB1 LEU 72 55.111 -7.248 -10.056 561 HG LEU 72 HG LEU 72 52.841 -7.418 -9.109 562 1HD1 LEU 72 HD11 LEU 72 52.050 -5.549 -10.707 563 2HD1 LEU 72 HD13 LEU 72 51.819 -6.843 -11.881 564 3HD1 LEU 72 HD12 LEU 72 50.921 -6.860 -10.362 565 1HD2 LEU 72 HD23 LEU 72 53.881 -8.973 -11.323 566 2HD2 LEU 72 HD22 LEU 72 52.980 -9.527 -9.913 567 3HD2 LEU 72 HD21 LEU 72 52.118 -8.974 -11.349 568 H GLY 73 HN GLY 73 56.682 -5.918 -10.282 569 1HA GLY 73 HA2 GLY 73 57.802 -5.965 -7.766 570 2HA GLY 73 HA1 GLY 73 58.695 -5.415 -9.184 571 H ARG 74 HN ARG 74 56.751 -3.201 -9.598 572 HA ARG 74 HA ARG 74 56.503 -0.947 -8.960 573 1HB ARG 74 HB2 ARG 74 57.236 -1.973 -6.200 574 2HB ARG 74 HB1 ARG 74 56.476 -0.426 -6.571 575 1HG ARG 74 HG2 ARG 74 54.818 -2.230 -7.847 576 2HG ARG 74 HG1 ARG 74 55.274 -3.096 -6.380 577 1HD ARG 74 HD2 ARG 74 53.532 -1.893 -5.497 578 2HD ARG 74 HD1 ARG 74 54.789 -0.669 -5.313 579 HE ARG 74 HE ARG 74 53.316 -0.619 -7.868 580 1HH1 ARG 74 HH12 ARG 74 52.985 0.222 -4.587 581 2HH1 ARG 74 HH11 ARG 74 52.481 1.850 -4.895 582 1HH2 ARG 74 HH21 ARG 74 52.992 1.640 -8.319 583 2HH2 ARG 74 HH22 ARG 74 52.486 2.653 -7.008 No H/Q in entry = 583 Start of MODEL 16 1 H MET 1 HN MET 1 54.907 -11.043 -9.912 2 HA MET 1 HA MET 1 55.846 -10.562 -7.812 3 1HB MET 1 HB2 MET 1 57.753 -9.267 -9.710 4 2HB MET 1 HB1 MET 1 57.887 -8.934 -7.984 5 1HG MET 1 HG2 MET 1 59.074 -10.853 -7.840 6 2HG MET 1 HG1 MET 1 57.540 -11.690 -8.084 7 1HE MET 1 HE1 MET 1 56.664 -12.574 -9.771 8 2HE MET 1 HE3 MET 1 57.265 -12.864 -11.409 9 3HE MET 1 HE2 MET 1 57.885 -13.810 -10.059 10 H LEU 2 HN LEU 2 53.645 -9.278 -7.828 11 HA LEU 2 HA LEU 2 53.841 -6.393 -7.933 12 1HB LEU 2 HB2 LEU 2 51.717 -7.814 -8.150 13 2HB LEU 2 HB1 LEU 2 51.778 -7.971 -6.395 14 HG LEU 2 HG LEU 2 51.984 -5.380 -6.392 15 1HD1 LEU 2 HD13 LEU 2 51.377 -6.019 -9.233 16 2HD1 LEU 2 HD12 LEU 2 50.482 -4.676 -8.523 17 3HD1 LEU 2 HD11 LEU 2 52.246 -4.644 -8.549 18 1HD2 LEU 2 HD22 LEU 2 49.454 -6.858 -7.173 19 2HD2 LEU 2 HD21 LEU 2 50.009 -6.485 -5.542 20 3HD2 LEU 2 HD23 LEU 2 49.469 -5.187 -6.607 21 H GLN 3 HN GLN 3 55.474 -8.323 -5.942 22 HA GLN 3 HA GLN 3 56.018 -6.382 -3.957 23 1HB GLN 3 HB2 GLN 3 54.781 -7.131 -2.043 24 2HB GLN 3 HB1 GLN 3 53.608 -6.950 -3.346 25 1HG GLN 3 HG2 GLN 3 54.416 -9.535 -3.722 26 2HG GLN 3 HG1 GLN 3 54.516 -9.393 -1.967 27 1HE2 GLN 3 HE22 GLN 3 50.835 -8.863 -3.744 28 2HE2 GLN 3 HE21 GLN 3 52.237 -8.498 -4.628 29 H LYS 4 HN LYS 4 57.760 -7.932 -5.291 30 HA LYS 4 HA LYS 4 58.379 -10.291 -3.606 31 1HB LYS 4 HB2 LYS 4 58.604 -9.808 -6.344 32 2HB LYS 4 HB1 LYS 4 60.265 -9.722 -5.756 33 1HG LYS 4 HG2 LYS 4 58.538 -11.951 -4.763 34 2HG LYS 4 HG1 LYS 4 59.163 -12.057 -6.410 35 1HD LYS 4 HD2 LYS 4 60.886 -13.065 -5.208 36 2HD LYS 4 HD1 LYS 4 61.445 -11.394 -5.273 37 1HE LYS 4 HE2 LYS 4 61.666 -11.810 -3.002 38 2HE LYS 4 HE1 LYS 4 60.020 -11.178 -3.047 39 1HZ LYS 4 HZ2 LYS 4 60.501 -14.059 -3.402 40 2HZ LYS 4 HZ1 LYS 4 60.495 -13.392 -1.840 41 3HZ LYS 4 HZ3 LYS 4 59.116 -13.266 -2.820 42 H LYS 5 HN LYS 5 60.219 -7.537 -4.991 43 HA LYS 5 HA LYS 5 62.383 -7.869 -3.131 44 1HB LYS 5 HB2 LYS 5 61.837 -6.250 -5.394 45 2HB LYS 5 HB1 LYS 5 62.205 -5.152 -4.062 46 1HG LYS 5 HG2 LYS 5 64.368 -5.890 -3.864 47 2HG LYS 5 HG1 LYS 5 63.955 -7.539 -4.336 48 1HD LYS 5 HD2 LYS 5 64.959 -6.974 -6.302 49 2HD LYS 5 HD1 LYS 5 63.417 -6.190 -6.649 50 1HE LYS 5 HE2 LYS 5 64.287 -4.081 -5.678 51 2HE LYS 5 HE1 LYS 5 65.840 -4.868 -5.395 52 1HZ LYS 5 HZ2 LYS 5 64.690 -4.958 -8.090 53 2HZ LYS 5 HZ1 LYS 5 65.407 -3.508 -7.565 54 3HZ LYS 5 HZ3 LYS 5 66.320 -4.938 -7.610 55 H ILE 6 HN ILE 6 59.268 -6.582 -2.788 56 HA ILE 6 HA ILE 6 60.073 -4.847 -0.508 57 HB ILE 6 HB ILE 6 57.315 -5.224 -1.682 58 1HG1 ILE 6 HG12 ILE 6 59.172 -4.509 -3.306 59 2HG1 ILE 6 HG11 ILE 6 57.761 -3.449 -3.196 60 1HG2 ILE 6 HG23 ILE 6 57.719 -4.156 0.630 61 2HG2 ILE 6 HG22 ILE 6 58.449 -2.817 -0.248 62 3HG2 ILE 6 HG21 ILE 6 56.761 -3.237 -0.525 63 1HD1 ILE 6 HD13 ILE 6 60.192 -2.989 -1.472 64 2HD1 ILE 6 HD12 ILE 6 60.111 -2.357 -3.117 65 3HD1 ILE 6 HD11 ILE 6 58.926 -1.844 -1.916 66 H GLU 7 HN GLU 7 58.100 -7.711 -1.265 67 HA GLU 7 HA GLU 7 57.114 -8.023 1.435 68 1HB GLU 7 HB2 GLU 7 56.338 -10.182 0.723 69 2HB GLU 7 HB1 GLU 7 56.141 -9.113 -0.665 70 1HG GLU 7 HG2 GLU 7 57.190 -10.944 -1.653 71 2HG GLU 7 HG1 GLU 7 58.577 -9.925 -1.263 72 H GLU 8 HN GLU 8 60.069 -8.658 -0.198 73 HA GLU 8 HA GLU 8 61.044 -10.668 1.658 74 1HB GLU 8 HB2 GLU 8 63.113 -10.497 0.452 75 2HB GLU 8 HB1 GLU 8 61.829 -10.333 -0.748 76 1HG GLU 8 HG2 GLU 8 62.030 -7.875 -0.654 77 2HG GLU 8 HG1 GLU 8 63.299 -8.033 0.573 78 H ILE 9 HN ILE 9 61.517 -7.161 1.198 79 HA ILE 9 HA ILE 9 63.302 -6.947 3.486 80 HB ILE 9 HB ILE 9 63.434 -5.316 1.648 81 1HG1 ILE 9 HG12 ILE 9 63.670 -3.374 2.994 82 2HG1 ILE 9 HG11 ILE 9 62.357 -3.858 4.065 83 1HG2 ILE 9 HG22 ILE 9 61.013 -5.359 1.083 84 2HG2 ILE 9 HG21 ILE 9 60.672 -4.468 2.565 85 3HG2 ILE 9 HG23 ILE 9 61.621 -3.716 1.283 86 1HD1 ILE 9 HD11 ILE 9 64.662 -5.729 3.872 87 2HD1 ILE 9 HD13 ILE 9 64.953 -4.204 4.710 88 3HD1 ILE 9 HD12 ILE 9 63.683 -5.291 5.272 89 H ALA 10 HN ALA 10 59.911 -6.992 2.968 90 HA ALA 10 HA ALA 10 59.194 -5.646 5.455 91 1HB ALA 10 HB2 ALA 10 57.668 -5.721 3.495 92 2HB ALA 10 HB1 ALA 10 57.557 -7.472 3.676 93 3HB ALA 10 HB3 ALA 10 56.927 -6.413 4.938 94 H ALA 11 HN ALA 11 59.422 -8.970 4.259 95 HA ALA 11 HA ALA 11 58.645 -10.163 6.789 96 1HB ALA 11 HB3 ALA 11 58.441 -11.265 4.520 97 2HB ALA 11 HB2 ALA 11 60.196 -11.444 4.528 98 3HB ALA 11 HB1 ALA 11 59.221 -12.257 5.752 99 H LYS 12 HN LYS 12 61.656 -9.089 5.322 100 HA LYS 12 HA LYS 12 63.199 -10.492 7.425 101 1HB LYS 12 HB2 LYS 12 65.172 -9.849 6.255 102 2HB LYS 12 HB1 LYS 12 64.005 -10.286 5.009 103 1HG LYS 12 HG2 LYS 12 64.377 -8.264 4.102 104 2HG LYS 12 HG1 LYS 12 63.524 -7.574 5.486 105 1HD LYS 12 HD2 LYS 12 65.507 -6.470 5.793 106 2HD LYS 12 HD1 LYS 12 65.971 -7.976 6.586 107 1HE LYS 12 HE2 LYS 12 66.875 -8.808 4.424 108 2HE LYS 12 HE1 LYS 12 66.472 -7.260 3.681 109 1HZ LYS 12 HZ2 LYS 12 67.903 -6.774 6.039 110 2HZ LYS 12 HZ1 LYS 12 68.760 -7.931 5.137 111 3HZ LYS 12 HZ3 LYS 12 68.364 -6.436 4.439 112 H TYR 13 HN TYR 13 61.431 -8.672 8.487 113 HA TYR 13 HA TYR 13 63.196 -6.402 9.302 114 1HB TYR 13 HB2 TYR 13 60.223 -6.689 9.041 115 2HB TYR 13 HB1 TYR 13 60.864 -5.588 10.253 116 HD1 TYR 13 HD1 TYR 13 63.288 -4.531 9.023 117 HD2 TYR 13 HD2 TYR 13 59.462 -5.367 7.265 118 HE1 TYR 13 HE1 TYR 13 63.726 -2.835 7.266 119 HE2 TYR 13 HE2 TYR 13 59.899 -3.679 5.507 120 HH TYR 13 HH TYR 13 62.653 -1.527 5.675 121 H LYS 14 HN LYS 14 63.558 -6.102 11.507 122 HA LYS 14 HA LYS 14 63.057 -8.448 13.213 123 1HB LYS 14 HB2 LYS 14 65.076 -6.502 13.062 124 2HB LYS 14 HB1 LYS 14 64.233 -6.163 14.574 125 1HG LYS 14 HG2 LYS 14 64.476 -8.538 15.233 126 2HG LYS 14 HG1 LYS 14 65.347 -8.857 13.732 127 1HD LYS 14 HD2 LYS 14 66.460 -6.571 15.160 128 2HD LYS 14 HD1 LYS 14 66.483 -8.035 16.144 129 1HE LYS 14 HE2 LYS 14 67.501 -9.236 14.159 130 2HE LYS 14 HE1 LYS 14 67.670 -7.661 13.384 131 1HZ LYS 14 HZ2 LYS 14 68.819 -7.021 15.583 132 2HZ LYS 14 HZ1 LYS 14 69.014 -8.696 15.790 133 3HZ LYS 14 HZ3 LYS 14 69.686 -7.927 14.436 134 H HIS 15 HN HIS 15 60.660 -7.217 12.514 135 HA HIS 15 HA HIS 15 59.439 -6.754 15.044 136 1HB HIS 15 HB2 HIS 15 60.769 -4.466 13.950 137 2HB HIS 15 HB1 HIS 15 59.031 -4.187 13.860 138 HD1 HIS 15 HD1 HIS 15 61.848 -4.402 16.247 139 HD2 HIS 15 HD2 HIS 15 57.685 -4.353 16.445 140 HE1 HIS 15 HE1 HIS 15 61.252 -3.936 18.664 141 H SER 16 HN SER 16 57.637 -7.874 14.407 142 HA SER 16 HA SER 16 56.478 -8.181 11.937 143 1HB SER 16 HB2 SER 16 55.064 -7.778 14.579 144 2HB SER 16 HB1 SER 16 54.262 -8.355 13.123 145 HG SER 16 HG SER 16 56.560 -9.545 14.296 146 H VAL 17 HN VAL 17 55.902 -5.320 14.042 147 HA VAL 17 HA VAL 17 53.926 -4.104 12.412 148 HB VAL 17 HB VAL 17 55.990 -2.653 14.083 149 1HG1 VAL 17 HG13 VAL 17 53.812 -1.783 12.508 150 2HG1 VAL 17 HG12 VAL 17 53.270 -1.679 14.184 151 3HG1 VAL 17 HG11 VAL 17 54.730 -0.831 13.675 152 1HG2 VAL 17 HG21 VAL 17 54.416 -4.706 14.993 153 2HG2 VAL 17 HG23 VAL 17 54.966 -3.360 15.993 154 3HG2 VAL 17 HG22 VAL 17 53.363 -3.317 15.259 155 H VAL 18 HN VAL 18 57.480 -3.841 12.300 156 HA VAL 18 HA VAL 18 57.735 -1.752 10.434 157 HB VAL 18 HB VAL 18 59.375 -4.301 10.364 158 1HG1 VAL 18 HG11 VAL 18 59.576 -2.295 8.680 159 2HG1 VAL 18 HG13 VAL 18 60.389 -1.507 10.031 160 3HG1 VAL 18 HG12 VAL 18 61.030 -3.009 9.375 161 1HG2 VAL 18 HG22 VAL 18 58.931 -2.807 12.640 162 2HG2 VAL 18 HG21 VAL 18 60.362 -3.785 12.328 163 3HG2 VAL 18 HG23 VAL 18 60.380 -2.063 11.972 164 H LYS 19 HN LYS 19 56.480 -4.957 10.047 165 HA LYS 19 HA LYS 19 56.816 -5.315 7.250 166 1HB LYS 19 HB2 LYS 19 55.704 -6.808 9.209 167 2HB LYS 19 HB1 LYS 19 54.238 -6.181 8.454 168 1HG LYS 19 HG2 LYS 19 54.940 -7.024 6.281 169 2HG LYS 19 HG1 LYS 19 56.488 -7.543 6.949 170 1HD LYS 19 HD2 LYS 19 53.851 -8.559 8.022 171 2HD LYS 19 HD1 LYS 19 54.704 -9.363 6.704 172 1HE LYS 19 HE2 LYS 19 56.749 -9.107 8.436 173 2HE LYS 19 HE1 LYS 19 55.415 -9.180 9.588 174 1HZ LYS 19 HZ3 LYS 19 55.325 -11.116 7.429 175 2HZ LYS 19 HZ2 LYS 19 56.587 -11.330 8.547 176 3HZ LYS 19 HZ1 LYS 19 54.973 -11.309 9.077 177 H LYS 20 HN LYS 20 54.130 -3.796 9.063 178 HA LYS 20 HA LYS 20 52.643 -3.027 6.733 179 1HB LYS 20 HB2 LYS 20 51.481 -3.021 8.817 180 2HB LYS 20 HB1 LYS 20 52.693 -1.985 9.567 181 1HG LYS 20 HG2 LYS 20 51.544 -0.158 8.924 182 2HG LYS 20 HG1 LYS 20 51.696 -0.644 7.233 183 1HD LYS 20 HD2 LYS 20 49.313 -0.389 8.016 184 2HD LYS 20 HD1 LYS 20 49.689 -1.989 7.374 185 1HE LYS 20 HE2 LYS 20 49.236 -2.973 9.352 186 2HE LYS 20 HE1 LYS 20 50.273 -1.838 10.217 187 1HZ LYS 20 HZ2 LYS 20 47.517 -1.221 9.303 188 2HZ LYS 20 HZ1 LYS 20 47.910 -1.725 10.877 189 3HZ LYS 20 HZ3 LYS 20 48.507 -0.251 10.286 190 H CYS 21 HN CYS 21 54.910 -1.198 8.801 191 HA CYS 21 HA CYS 21 54.862 1.284 7.550 192 1HB CYS 21 HB2 CYS 21 57.160 -0.295 8.719 193 2HB CYS 21 HB1 CYS 21 57.373 1.346 8.120 194 H CYS 22 HN CYS 22 56.741 -1.567 6.568 195 HA CYS 22 HA CYS 22 57.835 -0.299 4.206 196 1HB CYS 22 HB2 CYS 22 59.081 -2.129 5.021 197 2HB CYS 22 HB1 CYS 22 57.650 -3.138 5.216 198 H TYR 23 HN TYR 23 54.947 -2.158 4.959 199 HA TYR 23 HA TYR 23 54.137 -2.856 2.357 200 1HB TYR 23 HB2 TYR 23 52.879 -2.584 4.953 201 2HB TYR 23 HB1 TYR 23 51.788 -2.107 3.665 202 HD1 TYR 23 HD2 TYR 23 51.670 -3.665 1.579 203 HD2 TYR 23 HD1 TYR 23 53.184 -4.810 5.424 204 HE1 TYR 23 HE2 TYR 23 51.313 -6.053 1.002 205 HE2 TYR 23 HE1 TYR 23 52.834 -7.161 4.848 206 HH TYR 23 HH TYR 23 52.696 -8.465 2.283 207 H ASP 24 HN ASP 24 53.372 0.109 4.206 208 HA ASP 24 HA ASP 24 52.073 1.422 1.991 209 1HB ASP 24 HB2 ASP 24 53.453 2.983 4.143 210 2HB ASP 24 HB1 ASP 24 51.883 3.263 3.399 211 H GLY 25 HN GLY 25 55.354 1.672 3.385 212 1HA GLY 25 HA2 GLY 25 56.527 3.615 1.838 213 2HA GLY 25 HA1 GLY 25 57.377 2.116 2.230 214 H ALA 26 HN ALA 26 56.217 0.201 0.778 215 HA ALA 26 HA ALA 26 57.036 0.766 -1.928 216 1HB ALA 26 HB3 ALA 26 55.550 -1.552 -0.678 217 2HB ALA 26 HB2 ALA 26 55.987 -1.506 -2.386 218 3HB ALA 26 HB1 ALA 26 57.247 -1.490 -1.151 219 H CYS 27 HN CYS 27 53.880 0.593 -0.304 220 HA CYS 27 HA CYS 27 52.439 1.001 -2.833 221 1HB CYS 27 HB2 CYS 27 51.641 0.750 0.057 222 2HB CYS 27 HB1 CYS 27 50.487 1.357 -1.131 223 HG CYS 27 HG CYS 27 51.882 -1.378 -1.671 224 H VAL 28 HN VAL 28 54.387 2.991 -1.332 225 HA VAL 28 HA VAL 28 53.471 5.304 -0.388 226 HB VAL 28 HB VAL 28 55.724 5.304 -1.070 227 1HG1 VAL 28 HG13 VAL 28 55.271 3.587 -2.900 228 2HG1 VAL 28 HG12 VAL 28 54.889 4.946 -3.956 229 3HG1 VAL 28 HG11 VAL 28 56.506 4.790 -3.271 230 1HG2 VAL 28 HG21 VAL 28 54.316 7.469 -1.593 231 2HG2 VAL 28 HG23 VAL 28 55.978 7.357 -2.175 232 3HG2 VAL 28 HG22 VAL 28 54.637 7.042 -3.274 233 H ASN 29 HN ASN 29 52.314 7.154 -1.063 234 HA ASN 29 HA ASN 29 50.243 6.710 -3.039 235 1HB ASN 29 HB2 ASN 29 51.024 8.897 -1.170 236 2HB ASN 29 HB1 ASN 29 50.052 9.354 -2.570 237 1HD2 ASN 29 HD22 ASN 29 47.636 8.400 0.077 238 2HD2 ASN 29 HD21 ASN 29 48.764 9.644 -0.169 239 H ASN 30 HN ASN 30 52.470 9.502 -2.920 240 HA ASN 30 HA ASN 30 52.383 9.708 -5.837 241 1HB ASN 30 HB2 ASN 30 52.446 11.750 -4.496 242 2HB ASN 30 HB1 ASN 30 53.967 11.248 -3.758 243 1HD2 ASN 30 HD22 ASN 30 55.854 12.677 -6.351 244 2HD2 ASN 30 HD21 ASN 30 55.757 12.199 -4.725 245 H ASP 31 HN ASP 31 55.493 10.357 -4.455 246 HA ASP 31 HA ASP 31 56.606 7.723 -5.060 247 1HB ASP 31 HB2 ASP 31 57.149 10.087 -6.879 248 2HB ASP 31 HB1 ASP 31 58.136 8.627 -6.851 249 H GLU 32 HN GLU 32 58.401 10.675 -5.615 250 HA GLU 32 HA GLU 32 60.556 10.212 -3.991 251 1HB GLU 32 HB2 GLU 32 59.435 12.497 -5.240 252 2HB GLU 32 HB1 GLU 32 59.822 12.962 -3.582 253 1HG GLU 32 HG2 GLU 32 62.058 11.577 -4.171 254 2HG GLU 32 HG1 GLU 32 61.637 12.134 -5.791 255 H THR 33 HN THR 33 58.163 12.530 -2.714 256 HA THR 33 HA THR 33 58.878 11.774 0.013 257 HB THR 33 HB THR 33 56.890 13.430 0.473 258 HG1 THR 33 HG1 THR 33 56.245 14.568 -1.230 259 1HG2 THR 33 HG21 THR 33 59.542 13.730 0.396 260 2HG2 THR 33 HG23 THR 33 59.135 14.749 -0.984 261 3HG2 THR 33 HG22 THR 33 58.463 15.109 0.607 262 H CYS 34 HN CYS 34 58.138 9.474 -0.369 263 HA CYS 34 HA CYS 34 55.479 8.688 -0.792 264 1HB CYS 34 HB2 CYS 34 56.167 6.862 1.083 265 2HB CYS 34 HB1 CYS 34 56.719 6.774 -0.583 266 H GLU 35 HN GLU 35 56.462 8.135 2.536 267 HA GLU 35 HA GLU 35 53.899 8.979 3.539 268 1HB GLU 35 HB2 GLU 35 56.498 8.628 5.042 269 2HB GLU 35 HB1 GLU 35 54.911 8.710 5.780 270 1HG GLU 35 HG2 GLU 35 55.549 6.663 3.662 271 2HG GLU 35 HG1 GLU 35 55.877 6.361 5.371 272 H GLN 36 HN GLN 36 57.014 10.586 3.144 273 HA GLN 36 HA GLN 36 56.621 12.905 4.694 274 1HB GLN 36 HB2 GLN 36 57.815 12.658 1.906 275 2HB GLN 36 HB1 GLN 36 57.963 14.089 2.928 276 1HG GLN 36 HG2 GLN 36 59.154 12.823 4.623 277 2HG GLN 36 HG1 GLN 36 58.890 11.320 3.740 278 1HE2 GLN 36 HE22 GLN 36 61.643 14.004 2.270 279 2HE2 GLN 36 HE21 GLN 36 60.391 14.567 3.270 280 H ARG 37 HN ARG 37 55.197 11.796 1.730 281 HA ARG 37 HA ARG 37 53.684 14.280 1.276 282 1HB ARG 37 HB2 ARG 37 54.383 12.894 -0.664 283 2HB ARG 37 HB1 ARG 37 53.431 11.548 -0.034 284 1HG ARG 37 HG2 ARG 37 51.736 13.833 -0.075 285 2HG ARG 37 HG1 ARG 37 52.548 13.757 -1.639 286 1HD ARG 37 HD2 ARG 37 51.914 11.297 -1.721 287 2HD ARG 37 HD1 ARG 37 50.891 11.597 -0.315 288 HE ARG 37 HE ARG 37 50.438 13.358 -2.641 289 1HH1 ARG 37 HH12 ARG 37 48.501 12.714 -0.360 290 2HH1 ARG 37 HH11 ARG 37 47.365 11.691 -1.173 291 1HH2 ARG 37 HH21 ARG 37 49.433 11.113 -3.897 292 2HH2 ARG 37 HH22 ARG 37 47.893 10.783 -3.176 293 H ALA 38 HN ALA 38 53.246 11.010 2.575 294 HA ALA 38 HA ALA 38 50.533 10.749 2.965 295 1HB ALA 38 HB2 ALA 38 52.676 10.350 5.082 296 2HB ALA 38 HB1 ALA 38 51.033 9.727 5.195 297 3HB ALA 38 HB3 ALA 38 52.113 9.137 3.934 298 H ALA 39 HN ALA 39 52.628 12.472 5.245 299 HA ALA 39 HA ALA 39 51.098 14.844 5.390 300 1HB ALA 39 HB1 ALA 39 49.570 12.838 6.430 301 2HB ALA 39 HB3 ALA 39 50.434 13.366 7.874 302 3HB ALA 39 HB2 ALA 39 49.461 14.518 6.958 303 H ARG 40 HN ARG 40 52.649 12.444 7.425 304 HA ARG 40 HA ARG 40 55.035 13.895 7.912 305 1HB ARG 40 HB2 ARG 40 52.765 14.703 9.570 306 2HB ARG 40 HB1 ARG 40 54.125 14.112 10.526 307 1HG ARG 40 HG2 ARG 40 55.613 15.639 9.130 308 2HG ARG 40 HG1 ARG 40 54.130 16.365 8.509 309 1HD ARG 40 HD2 ARG 40 53.440 16.997 10.756 310 2HD ARG 40 HD1 ARG 40 54.826 16.156 11.451 311 HE ARG 40 HE ARG 40 56.240 17.860 10.158 312 1HH1 ARG 40 HH12 ARG 40 55.017 19.720 8.735 313 2HH1 ARG 40 HH11 ARG 40 54.282 20.871 9.800 314 1HH2 ARG 40 HH21 ARG 40 54.412 18.789 12.570 315 2HH2 ARG 40 HH22 ARG 40 53.940 20.344 11.972 316 H ILE 41 HN ILE 41 56.193 11.997 8.037 317 HA ILE 41 HA ILE 41 55.237 9.532 8.918 318 HB ILE 41 HB ILE 41 57.497 9.893 7.856 319 1HG1 ILE 41 HG12 ILE 41 58.529 8.051 9.183 320 2HG1 ILE 41 HG11 ILE 41 57.297 8.294 10.420 321 1HG2 ILE 41 HG21 ILE 41 58.022 11.725 9.664 322 2HG2 ILE 41 HG23 ILE 41 58.522 10.348 10.645 323 3HG2 ILE 41 HG22 ILE 41 59.318 10.667 9.106 324 1HD1 ILE 41 HD11 ILE 41 56.474 7.877 7.557 325 2HD1 ILE 41 HD13 ILE 41 56.863 6.489 8.573 326 3HD1 ILE 41 HD12 ILE 41 55.553 7.577 9.030 327 H SER 42 HN SER 42 53.970 9.523 10.681 328 HA SER 42 HA SER 42 55.428 9.821 13.192 329 1HB SER 42 HB2 SER 42 54.080 11.413 14.162 330 2HB SER 42 HB1 SER 42 54.038 11.969 12.487 331 HG SER 42 HG SER 42 51.983 11.446 13.882 332 H LEU 43 HN LEU 43 54.847 7.488 12.090 333 HA LEU 43 HA LEU 43 52.561 6.597 13.742 334 1HB LEU 43 HB2 LEU 43 53.604 5.425 11.145 335 2HB LEU 43 HB1 LEU 43 52.381 4.650 12.151 336 HG LEU 43 HG LEU 43 51.692 7.423 11.684 337 1HD1 LEU 43 HD11 LEU 43 52.860 5.993 9.443 338 2HD1 LEU 43 HD13 LEU 43 51.167 6.377 9.130 339 3HD1 LEU 43 HD12 LEU 43 52.306 7.665 9.526 340 1HD2 LEU 43 HD21 LEU 43 50.473 4.897 11.988 341 2HD2 LEU 43 HD23 LEU 43 49.660 6.451 11.801 342 3HD2 LEU 43 HD22 LEU 43 50.006 5.459 10.383 343 H GLY 44 HN GLY 44 55.864 6.650 13.452 344 1HA GLY 44 HA2 GLY 44 56.575 5.204 15.650 345 2HA GLY 44 HA1 GLY 44 56.372 3.927 14.453 346 HA PRO 45 HA PRO 45 60.644 5.992 13.982 347 1HB PRO 45 HB2 PRO 45 62.117 4.229 15.425 348 2HB PRO 45 HB1 PRO 45 61.365 5.660 16.141 349 1HG PRO 45 HG2 PRO 45 60.591 2.819 16.390 350 2HG PRO 45 HG1 PRO 45 60.370 4.157 17.527 351 1HD PRO 45 HD2 PRO 45 58.409 3.069 15.856 352 2HD PRO 45 HD1 PRO 45 58.290 4.589 16.743 353 H ARG 46 HN ARG 46 60.342 2.447 14.474 354 HA ARG 46 HA ARG 46 62.080 1.617 12.446 355 1HB ARG 46 HB2 ARG 46 61.124 -0.500 12.663 356 2HB ARG 46 HB1 ARG 46 60.631 0.249 14.177 357 1HG ARG 46 HG2 ARG 46 58.898 0.243 11.690 358 2HG ARG 46 HG1 ARG 46 58.786 -0.977 12.954 359 1HD ARG 46 HD2 ARG 46 58.671 1.899 13.764 360 2HD ARG 46 HD1 ARG 46 57.247 1.186 13.014 361 HE ARG 46 HE ARG 46 58.044 -0.623 15.005 362 1HH1 ARG 46 HH21 ARG 46 55.789 1.711 14.535 363 2HH1 ARG 46 HH22 ARG 46 55.636 2.196 16.191 364 1HH2 ARG 46 HH12 ARG 46 58.415 0.412 17.247 365 2HH2 ARG 46 HH11 ARG 46 57.125 1.464 17.724 366 H CYS 47 HN CYS 47 58.944 3.048 12.208 367 HA CYS 47 HA CYS 47 58.227 2.293 9.524 368 1HB CYS 47 HB2 CYS 47 57.195 3.924 11.589 369 2HB CYS 47 HB1 CYS 47 57.442 4.999 10.206 370 H ILE 48 HN ILE 48 59.601 5.344 10.745 371 HA ILE 48 HA ILE 48 60.039 6.777 8.511 372 HB ILE 48 HB ILE 48 61.223 6.622 11.084 373 1HG1 ILE 48 HG12 ILE 48 62.028 9.016 9.913 374 2HG1 ILE 48 HG11 ILE 48 60.581 8.565 9.011 375 1HG2 ILE 48 HG23 ILE 48 63.237 6.815 8.848 376 2HG2 ILE 48 HG22 ILE 48 63.512 7.570 10.417 377 3HG2 ILE 48 HG21 ILE 48 63.303 5.823 10.305 378 1HD1 ILE 48 HD11 ILE 48 60.631 8.422 12.022 379 2HD1 ILE 48 HD13 ILE 48 60.265 9.934 11.193 380 3HD1 ILE 48 HD12 ILE 48 59.236 8.524 10.949 381 H LYS 49 HN LYS 49 62.533 4.366 9.504 382 HA LYS 49 HA LYS 49 63.701 4.488 6.822 383 1HB LYS 49 HB2 LYS 49 64.363 2.827 9.265 384 2HB LYS 49 HB1 LYS 49 65.282 2.774 7.759 385 1HG LYS 49 HG2 LYS 49 64.796 5.497 8.776 386 2HG LYS 49 HG1 LYS 49 65.798 4.499 9.831 387 1HD LYS 49 HD2 LYS 49 66.640 4.053 7.137 388 2HD LYS 49 HD1 LYS 49 66.552 5.796 7.401 389 1HE LYS 49 HE2 LYS 49 68.560 5.615 8.418 390 2HE LYS 49 HE1 LYS 49 67.703 4.830 9.745 391 1HZ LYS 49 HZ1 LYS 49 68.238 3.066 7.550 392 2HZ LYS 49 HZ3 LYS 49 69.653 3.704 8.232 393 3HZ LYS 49 HZ2 LYS 49 68.548 2.860 9.208 394 H ALA 50 HN ALA 50 61.407 2.415 8.448 395 HA ALA 50 HA ALA 50 61.859 0.135 6.732 396 1HB ALA 50 HB2 ALA 50 60.734 -0.061 8.945 397 2HB ALA 50 HB1 ALA 50 59.386 0.890 8.326 398 3HB ALA 50 HB3 ALA 50 59.733 -0.699 7.643 399 H PHE 51 HN PHE 51 59.137 2.402 6.959 400 HA PHE 51 HA PHE 51 58.112 1.769 4.419 401 1HB PHE 51 HB2 PHE 51 56.528 3.350 4.834 402 2HB PHE 51 HB1 PHE 51 57.141 3.207 6.473 403 HD1 PHE 51 HD2 PHE 51 57.509 5.177 3.305 404 HD2 PHE 51 HD1 PHE 51 58.099 5.078 7.541 405 HE1 PHE 51 HE2 PHE 51 58.128 7.582 3.298 406 HE2 PHE 51 HE1 PHE 51 58.712 7.465 7.520 407 HZ PHE 51 HZ PHE 51 58.727 8.717 5.408 408 H THR 52 HN THR 52 60.262 4.435 5.463 409 HA THR 52 HA THR 52 60.426 5.700 2.948 410 HB THR 52 HB THR 52 62.562 5.397 5.075 411 HG1 THR 52 HG1 THR 52 60.471 6.567 5.384 412 1HG2 THR 52 HG23 THR 52 62.453 7.167 2.620 413 2HG2 THR 52 HG22 THR 52 63.592 7.385 3.948 414 3HG2 THR 52 HG21 THR 52 63.647 5.918 2.972 415 H GLU 53 HN GLU 53 62.304 3.009 4.246 416 HA GLU 53 HA GLU 53 64.089 2.662 2.064 417 1HB GLU 53 HB2 GLU 53 64.476 1.680 4.267 418 2HB GLU 53 HB1 GLU 53 63.050 0.666 4.055 419 1HG GLU 53 HG2 GLU 53 65.269 -0.464 3.536 420 2HG GLU 53 HG1 GLU 53 64.056 -0.547 2.258 421 H CYS 54 HN CYS 54 60.914 1.204 2.737 422 HA CYS 54 HA CYS 54 61.066 -0.497 0.378 423 1HB CYS 54 HB2 CYS 54 58.983 0.096 2.451 424 2HB CYS 54 HB1 CYS 54 58.509 -0.708 0.952 425 H CYS 55 HN CYS 55 60.005 2.719 1.085 426 HA CYS 55 HA CYS 55 58.406 2.902 -1.372 427 1HB CYS 55 HB2 CYS 55 57.525 4.748 -0.397 428 2HB CYS 55 HB1 CYS 55 58.452 4.326 1.035 429 H VAL 56 HN VAL 56 61.657 3.435 -0.297 430 HA VAL 56 HA VAL 56 62.425 5.029 -2.637 431 HB VAL 56 HB VAL 56 64.151 3.524 -0.635 432 1HG1 VAL 56 HG13 VAL 56 64.689 5.407 -2.897 433 2HG1 VAL 56 HG12 VAL 56 65.741 5.463 -1.481 434 3HG1 VAL 56 HG11 VAL 56 65.578 3.967 -2.401 435 1HG2 VAL 56 HG23 VAL 56 62.492 5.663 -0.096 436 2HG2 VAL 56 HG22 VAL 56 63.944 5.256 0.816 437 3HG2 VAL 56 HG21 VAL 56 64.021 6.458 -0.473 438 H VAL 57 HN VAL 57 62.827 1.675 -1.516 439 HA VAL 57 HA VAL 57 64.219 0.810 -3.875 440 HB VAL 57 HB VAL 57 63.557 -1.453 -3.148 441 1HG1 VAL 57 HG13 VAL 57 64.944 0.490 -1.555 442 2HG1 VAL 57 HG12 VAL 57 64.085 -0.612 -0.478 443 3HG1 VAL 57 HG11 VAL 57 65.236 -1.246 -1.654 444 1HG2 VAL 57 HG21 VAL 57 61.780 0.084 -1.239 445 2HG2 VAL 57 HG23 VAL 57 61.266 -1.042 -2.492 446 3HG2 VAL 57 HG22 VAL 57 62.130 -1.637 -1.074 447 H ALA 58 HN ALA 58 60.882 0.942 -2.784 448 HA ALA 58 HA ALA 58 59.665 -0.125 -5.141 449 1HB ALA 58 HB1 ALA 58 58.693 1.862 -3.065 450 2HB ALA 58 HB3 ALA 58 57.663 1.202 -4.335 451 3HB ALA 58 HB2 ALA 58 58.349 0.132 -3.111 452 H SER 59 HN SER 59 61.031 2.900 -4.192 453 HA SER 59 HA SER 59 59.906 4.632 -6.133 454 1HB SER 59 HB2 SER 59 61.413 5.114 -4.085 455 2HB SER 59 HB1 SER 59 62.742 4.905 -5.220 456 HG SER 59 HG SER 59 61.740 7.100 -4.927 457 H GLN 60 HN GLN 60 63.178 3.241 -6.172 458 HA GLN 60 HA GLN 60 63.732 3.743 -8.902 459 1HB GLN 60 HB2 GLN 60 64.923 2.321 -6.700 460 2HB GLN 60 HB1 GLN 60 65.021 1.343 -8.165 461 1HG GLN 60 HG2 GLN 60 66.282 2.948 -9.305 462 2HG GLN 60 HG1 GLN 60 65.693 4.263 -8.285 463 1HE2 GLN 60 HE22 GLN 60 67.888 3.078 -5.511 464 2HE2 GLN 60 HE21 GLN 60 66.221 3.328 -5.712 465 H LEU 61 HN LEU 61 61.871 1.261 -7.339 466 HA LEU 61 HA LEU 61 61.876 -0.635 -9.506 467 1HB LEU 61 HB2 LEU 61 60.203 -0.135 -7.062 468 2HB LEU 61 HB1 LEU 61 59.661 -1.307 -8.253 469 HG LEU 61 HG LEU 61 62.201 -1.338 -6.658 470 1HD1 LEU 61 HD12 LEU 61 60.048 -2.254 -5.694 471 2HD1 LEU 61 HD11 LEU 61 60.055 -3.442 -6.998 472 3HD1 LEU 61 HD13 LEU 61 61.358 -3.430 -5.810 473 1HD2 LEU 61 HD23 LEU 61 61.492 -2.689 -9.228 474 2HD2 LEU 61 HD22 LEU 61 63.062 -2.115 -8.665 475 3HD2 LEU 61 HD21 LEU 61 62.393 -3.618 -8.030 476 H ARG 62 HN ARG 62 59.917 2.144 -8.584 477 HA ARG 62 HA ARG 62 58.258 1.748 -11.002 478 1HB ARG 62 HB2 ARG 62 56.743 3.411 -10.040 479 2HB ARG 62 HB1 ARG 62 57.090 2.165 -8.842 480 1HG ARG 62 HG2 ARG 62 58.764 3.598 -7.786 481 2HG ARG 62 HG1 ARG 62 58.528 4.830 -9.021 482 1HD ARG 62 HD2 ARG 62 57.291 5.334 -6.909 483 2HD ARG 62 HD1 ARG 62 56.223 5.172 -8.301 484 HE ARG 62 HE ARG 62 56.334 3.362 -5.997 485 1HH1 ARG 62 HH12 ARG 62 54.260 4.488 -8.234 486 2HH1 ARG 62 HH11 ARG 62 53.603 2.963 -8.726 487 1HH2 ARG 62 HH21 ARG 62 56.024 1.094 -7.093 488 2HH2 ARG 62 HH22 ARG 62 54.603 1.043 -8.081 489 H ALA 63 HN ALA 63 61.106 3.248 -10.259 490 HA ALA 63 HA ALA 63 60.683 5.860 -11.417 491 1HB ALA 63 HB2 ALA 63 63.188 4.219 -10.959 492 2HB ALA 63 HB1 ALA 63 63.203 5.878 -11.557 493 3HB ALA 63 HB3 ALA 63 62.569 5.526 -9.950 494 H ASN 64 HN ASN 64 63.181 3.849 -12.826 495 HA ASN 64 HA ASN 64 62.370 4.641 -15.500 496 1HB ASN 64 HB2 ASN 64 64.758 4.199 -14.670 497 2HB ASN 64 HB1 ASN 64 64.375 2.484 -14.822 498 1HD2 ASN 64 HD21 ASN 64 66.058 2.434 -16.580 499 2HD2 ASN 64 HD22 ASN 64 65.644 2.970 -18.136 500 H ILE 65 HN ILE 65 62.606 1.437 -13.903 501 HA ILE 65 HA ILE 65 61.561 -0.164 -15.911 502 HB ILE 65 HB ILE 65 60.646 -0.449 -13.046 503 1HG1 ILE 65 HG12 ILE 65 63.008 -1.893 -13.313 504 2HG1 ILE 65 HG11 ILE 65 63.368 -0.370 -14.128 505 1HG2 ILE 65 HG23 ILE 65 60.763 -2.112 -15.455 506 2HG2 ILE 65 HG22 ILE 65 61.518 -2.880 -14.060 507 3HG2 ILE 65 HG21 ILE 65 59.838 -2.350 -13.973 508 1HD1 ILE 65 HD12 ILE 65 62.397 0.805 -12.083 509 2HD1 ILE 65 HD11 ILE 65 62.421 -0.767 -11.284 510 3HD1 ILE 65 HD13 ILE 65 63.928 -0.033 -11.829 511 H SER 66 HN SER 66 59.233 -1.144 -15.907 512 HA SER 66 HA SER 66 57.000 0.375 -15.006 513 1HB SER 66 HB2 SER 66 58.355 1.569 -17.204 514 2HB SER 66 HB1 SER 66 56.849 0.900 -17.826 515 HG SER 66 HG SER 66 56.879 3.118 -16.820 516 H HIS 67 HN HIS 67 57.817 -2.387 -15.393 517 HA HIS 67 HA HIS 67 55.458 -3.295 -16.948 518 1HB HIS 67 HB2 HIS 67 57.906 -3.362 -18.133 519 2HB HIS 67 HB1 HIS 67 57.890 -4.934 -17.336 520 HD1 HIS 67 HD1 HIS 67 57.663 -4.627 -20.457 521 HD2 HIS 67 HD2 HIS 67 54.424 -5.082 -17.870 522 HE1 HIS 67 HE1 HIS 67 55.758 -5.552 -21.848 523 H LYS 68 HN LYS 68 56.545 -6.104 -16.691 524 HA LYS 68 HA LYS 68 55.245 -6.986 -14.422 525 1HB LYS 68 HB2 LYS 68 57.816 -8.029 -15.636 526 2HB LYS 68 HB1 LYS 68 56.930 -8.884 -14.373 527 1HG LYS 68 HG2 LYS 68 55.135 -8.046 -16.489 528 2HG LYS 68 HG1 LYS 68 56.456 -9.018 -17.140 529 1HD LYS 68 HD2 LYS 68 55.635 -10.251 -14.715 530 2HD LYS 68 HD1 LYS 68 54.172 -9.893 -15.635 531 1HE LYS 68 HE2 LYS 68 54.791 -11.984 -16.489 532 2HE LYS 68 HE1 LYS 68 55.513 -10.876 -17.657 533 1HZ LYS 68 HZ3 LYS 68 57.278 -11.280 -15.491 534 2HZ LYS 68 HZ2 LYS 68 56.804 -12.786 -16.120 535 3HZ LYS 68 HZ1 LYS 68 57.514 -11.624 -17.136 536 H ASP 69 HN ASP 69 58.663 -5.967 -14.537 537 HA ASP 69 HA ASP 69 59.180 -6.327 -11.771 538 1HB ASP 69 HB2 ASP 69 60.654 -5.534 -14.007 539 2HB ASP 69 HB1 ASP 69 60.646 -4.108 -12.969 540 H MET 70 HN MET 70 58.347 -3.402 -13.654 541 HA MET 70 HA MET 70 58.011 -1.784 -11.260 542 1HB MET 70 HB2 MET 70 58.642 -0.857 -13.499 543 2HB MET 70 HB1 MET 70 57.024 -1.254 -14.077 544 1HG MET 70 HG2 MET 70 57.197 0.313 -11.554 545 2HG MET 70 HG1 MET 70 57.626 1.155 -13.042 546 1HE MET 70 HE1 MET 70 56.101 2.626 -12.259 547 2HE MET 70 HE3 MET 70 54.674 2.790 -13.292 548 3HE MET 70 HE2 MET 70 54.500 2.252 -11.624 549 H GLN 71 HN GLN 71 55.547 -2.401 -13.780 550 HA GLN 71 HA GLN 71 53.260 -1.846 -12.387 551 1HB GLN 71 HB2 GLN 71 53.088 -2.628 -14.657 552 2HB GLN 71 HB1 GLN 71 53.756 -4.203 -14.223 553 1HG GLN 71 HG2 GLN 71 51.282 -4.278 -14.463 554 2HG GLN 71 HG1 GLN 71 51.800 -4.678 -12.824 555 1HE2 GLN 71 HE22 GLN 71 49.327 -2.283 -11.876 556 2HE2 GLN 71 HE21 GLN 71 49.660 -3.941 -12.011 557 H LEU 72 HN LEU 72 55.238 -4.787 -11.971 558 HA LEU 72 HA LEU 72 53.423 -5.573 -9.723 559 1HB LEU 72 HB2 LEU 72 54.745 -7.058 -11.802 560 2HB LEU 72 HB1 LEU 72 55.313 -7.621 -10.229 561 HG LEU 72 HG LEU 72 52.972 -7.888 -9.505 562 1HD1 LEU 72 HD11 LEU 72 52.215 -6.014 -11.060 563 2HD1 LEU 72 HD13 LEU 72 52.255 -7.205 -12.359 564 3HD1 LEU 72 HD12 LEU 72 51.160 -7.426 -10.994 565 1HD2 LEU 72 HD22 LEU 72 54.265 -9.357 -11.645 566 2HD2 LEU 72 HD21 LEU 72 53.252 -9.971 -10.339 567 3HD2 LEU 72 HD23 LEU 72 52.513 -9.410 -11.840 568 H GLY 73 HN GLY 73 56.865 -6.186 -10.335 569 1HA GLY 73 HA2 GLY 73 57.828 -6.292 -7.782 570 2HA GLY 73 HA1 GLY 73 58.750 -5.526 -9.078 571 H ARG 74 HN ARG 74 57.051 -3.368 -9.600 572 HA ARG 74 HA ARG 74 57.303 -1.079 -8.875 573 1HB ARG 74 HB2 ARG 74 55.326 -0.611 -7.452 574 2HB ARG 74 HB1 ARG 74 54.945 -1.687 -8.792 575 1HG ARG 74 HG2 ARG 74 54.202 -3.231 -7.345 576 2HG ARG 74 HG1 ARG 74 55.793 -3.297 -6.580 577 1HD ARG 74 HD2 ARG 74 54.458 -2.617 -4.794 578 2HD ARG 74 HD1 ARG 74 54.987 -1.059 -5.430 579 HE ARG 74 HE ARG 74 52.292 -1.834 -5.266 580 1HH1 ARG 74 HH21 ARG 74 52.354 -2.518 -8.093 581 2HH1 ARG 74 HH22 ARG 74 52.125 -0.999 -8.892 582 1HH2 ARG 74 HH12 ARG 74 52.934 0.892 -6.100 583 2HH2 ARG 74 HH11 ARG 74 52.454 0.932 -7.764 No H/Q in entry = 583 Start of MODEL 17 1 H MET 1 HN MET 1 56.173 -10.295 -10.634 2 HA MET 1 HA MET 1 55.943 -10.448 -7.828 3 1HB MET 1 HB2 MET 1 57.899 -9.047 -9.626 4 2HB MET 1 HB1 MET 1 58.015 -8.931 -7.869 5 1HG MET 1 HG2 MET 1 59.360 -10.793 -8.308 6 2HG MET 1 HG1 MET 1 57.805 -11.546 -7.954 7 1HE MET 1 HE2 MET 1 60.650 -11.828 -9.753 8 2HE MET 1 HE1 MET 1 60.356 -12.128 -11.464 9 3HE MET 1 HE3 MET 1 60.339 -10.475 -10.836 10 H LEU 2 HN LEU 2 53.781 -9.202 -7.757 11 HA LEU 2 HA LEU 2 53.942 -6.305 -7.911 12 1HB LEU 2 HB2 LEU 2 51.826 -7.762 -8.139 13 2HB LEU 2 HB1 LEU 2 51.875 -7.875 -6.379 14 HG LEU 2 HG LEU 2 52.193 -5.212 -6.650 15 1HD1 LEU 2 HD12 LEU 2 51.237 -6.199 -9.230 16 2HD1 LEU 2 HD11 LEU 2 50.143 -5.010 -8.522 17 3HD1 LEU 2 HD13 LEU 2 51.835 -4.598 -8.796 18 1HD2 LEU 2 HD22 LEU 2 49.557 -6.717 -6.736 19 2HD2 LEU 2 HD21 LEU 2 50.483 -6.335 -5.285 20 3HD2 LEU 2 HD23 LEU 2 49.750 -5.039 -6.229 21 H GLN 3 HN GLN 3 55.536 -8.274 -5.933 22 HA GLN 3 HA GLN 3 56.066 -6.354 -3.917 23 1HB GLN 3 HB2 GLN 3 54.811 -7.321 -2.014 24 2HB GLN 3 HB1 GLN 3 53.721 -6.730 -3.269 25 1HG GLN 3 HG2 GLN 3 53.193 -8.889 -4.020 26 2HG GLN 3 HG1 GLN 3 54.625 -9.600 -3.278 27 1HE2 GLN 3 HE22 GLN 3 51.277 -8.963 -1.004 28 2HE2 GLN 3 HE21 GLN 3 51.407 -8.241 -2.536 29 H LYS 4 HN LYS 4 57.849 -7.906 -5.186 30 HA LYS 4 HA LYS 4 58.353 -10.270 -3.461 31 1HB LYS 4 HB2 LYS 4 58.810 -9.653 -6.244 32 2HB LYS 4 HB1 LYS 4 60.332 -10.089 -5.469 33 1HG LYS 4 HG2 LYS 4 57.778 -11.715 -5.543 34 2HG LYS 4 HG1 LYS 4 59.328 -12.129 -6.267 35 1HD LYS 4 HD2 LYS 4 58.553 -12.125 -3.354 36 2HD LYS 4 HD1 LYS 4 59.307 -13.408 -4.294 37 1HE LYS 4 HE2 LYS 4 61.189 -11.463 -4.546 38 2HE LYS 4 HE1 LYS 4 60.548 -11.080 -2.947 39 1HZ LYS 4 HZ1 LYS 4 61.474 -13.767 -3.806 40 2HZ LYS 4 HZ3 LYS 4 62.382 -12.682 -2.870 41 3HZ LYS 4 HZ2 LYS 4 60.940 -13.333 -2.252 42 H LYS 5 HN LYS 5 60.433 -7.801 -5.009 43 HA LYS 5 HA LYS 5 62.508 -8.113 -3.082 44 1HB LYS 5 HB2 LYS 5 61.915 -6.294 -5.316 45 2HB LYS 5 HB1 LYS 5 62.879 -5.563 -4.031 46 1HG LYS 5 HG2 LYS 5 64.641 -7.049 -4.315 47 2HG LYS 5 HG1 LYS 5 63.605 -8.308 -4.991 48 1HD LYS 5 HD2 LYS 5 64.040 -7.606 -7.081 49 2HD LYS 5 HD1 LYS 5 63.507 -5.974 -6.678 50 1HE LYS 5 HE2 LYS 5 65.788 -5.630 -5.595 51 2HE LYS 5 HE1 LYS 5 66.277 -7.146 -6.352 52 1HZ LYS 5 HZ2 LYS 5 65.123 -4.860 -7.849 53 2HZ LYS 5 HZ1 LYS 5 66.793 -5.116 -7.667 54 3HZ LYS 5 HZ3 LYS 5 65.847 -6.255 -8.493 55 H ILE 6 HN ILE 6 59.494 -6.543 -2.847 56 HA ILE 6 HA ILE 6 60.467 -4.784 -0.651 57 HB ILE 6 HB ILE 6 57.624 -4.856 -1.617 58 1HG1 ILE 6 HG12 ILE 6 59.298 -4.797 -3.570 59 2HG1 ILE 6 HG11 ILE 6 58.126 -3.477 -3.491 60 1HG2 ILE 6 HG22 ILE 6 59.322 -3.186 0.044 61 2HG2 ILE 6 HG21 ILE 6 58.599 -2.246 -1.259 62 3HG2 ILE 6 HG23 ILE 6 57.569 -3.147 -0.148 63 1HD1 ILE 6 HD13 ILE 6 60.973 -3.370 -2.448 64 2HD1 ILE 6 HD12 ILE 6 60.401 -2.623 -3.940 65 3HD1 ILE 6 HD11 ILE 6 59.804 -2.051 -2.382 66 H GLU 7 HN GLU 7 58.250 -7.491 -1.287 67 HA GLU 7 HA GLU 7 57.219 -7.556 1.419 68 1HB GLU 7 HB2 GLU 7 56.176 -9.605 0.813 69 2HB GLU 7 HB1 GLU 7 56.188 -8.664 -0.678 70 1HG GLU 7 HG2 GLU 7 57.003 -10.726 -1.417 71 2HG GLU 7 HG1 GLU 7 58.499 -9.852 -1.083 72 H GLU 8 HN GLU 8 60.122 -8.520 -0.127 73 HA GLU 8 HA GLU 8 60.881 -10.542 1.816 74 1HB GLU 8 HB2 GLU 8 63.001 -10.561 0.671 75 2HB GLU 8 HB1 GLU 8 61.754 -10.379 -0.565 76 1HG GLU 8 HG2 GLU 8 62.108 -7.946 -0.604 77 2HG GLU 8 HG1 GLU 8 63.324 -8.103 0.677 78 H ILE 9 HN ILE 9 61.613 -7.095 1.285 79 HA ILE 9 HA ILE 9 63.412 -6.936 3.554 80 HB ILE 9 HB ILE 9 63.667 -5.308 1.778 81 1HG1 ILE 9 HG12 ILE 9 63.787 -3.317 3.065 82 2HG1 ILE 9 HG11 ILE 9 62.391 -3.766 4.041 83 1HG2 ILE 9 HG21 ILE 9 60.792 -4.591 2.405 84 2HG2 ILE 9 HG23 ILE 9 61.845 -3.648 1.350 85 3HG2 ILE 9 HG22 ILE 9 61.401 -5.295 0.907 86 1HD1 ILE 9 HD13 ILE 9 64.612 -5.701 4.176 87 2HD1 ILE 9 HD12 ILE 9 65.010 -4.106 4.809 88 3HD1 ILE 9 HD11 ILE 9 63.648 -5.001 5.477 89 H ALA 10 HN ALA 10 59.998 -6.549 3.008 90 HA ALA 10 HA ALA 10 59.398 -5.266 5.531 91 1HB ALA 10 HB2 ALA 10 57.967 -6.195 3.205 92 2HB ALA 10 HB1 ALA 10 57.158 -6.751 4.671 93 3HB ALA 10 HB3 ALA 10 57.453 -5.030 4.426 94 H ALA 11 HN ALA 11 59.255 -8.601 4.323 95 HA ALA 11 HA ALA 11 58.378 -9.718 6.841 96 1HB ALA 11 HB2 ALA 11 59.434 -10.819 4.257 97 2HB ALA 11 HB1 ALA 11 59.323 -11.872 5.668 98 3HB ALA 11 HB3 ALA 11 57.873 -11.097 5.029 99 H LYS 12 HN LYS 12 61.508 -8.955 5.419 100 HA LYS 12 HA LYS 12 62.879 -10.538 7.510 101 1HB LYS 12 HB2 LYS 12 64.951 -9.891 6.432 102 2HB LYS 12 HB1 LYS 12 63.809 -10.393 5.186 103 1HG LYS 12 HG2 LYS 12 64.304 -8.420 4.199 104 2HG LYS 12 HG1 LYS 12 63.256 -7.709 5.427 105 1HD LYS 12 HD2 LYS 12 65.020 -6.576 6.240 106 2HD LYS 12 HD1 LYS 12 65.796 -8.109 6.638 107 1HE LYS 12 HE2 LYS 12 67.161 -8.044 4.805 108 2HE LYS 12 HE1 LYS 12 65.920 -7.318 3.783 109 1HZ LYS 12 HZ1 LYS 12 66.426 -5.372 5.584 110 2HZ LYS 12 HZ3 LYS 12 67.963 -6.055 5.370 111 3HZ LYS 12 HZ2 LYS 12 67.106 -5.460 4.029 112 H TYR 13 HN TYR 13 61.221 -8.537 8.545 113 HA TYR 13 HA TYR 13 63.185 -6.505 9.497 114 1HB TYR 13 HB2 TYR 13 60.225 -6.474 9.083 115 2HB TYR 13 HB1 TYR 13 60.891 -5.499 10.391 116 HD1 TYR 13 HD1 TYR 13 63.472 -4.638 9.409 117 HD2 TYR 13 HD2 TYR 13 59.757 -5.025 7.299 118 HE1 TYR 13 HE1 TYR 13 64.236 -2.948 7.763 119 HE2 TYR 13 HE2 TYR 13 60.519 -3.338 5.648 120 HH TYR 13 HH TYR 13 63.757 -2.298 5.444 121 H LYS 14 HN LYS 14 63.519 -6.317 11.716 122 HA LYS 14 HA LYS 14 62.743 -8.644 13.333 123 1HB LYS 14 HB2 LYS 14 64.784 -6.549 13.436 124 2HB LYS 14 HB1 LYS 14 64.052 -6.852 15.012 125 1HG LYS 14 HG2 LYS 14 64.674 -9.292 13.475 126 2HG LYS 14 HG1 LYS 14 66.087 -8.346 13.945 127 1HD LYS 14 HD2 LYS 14 64.037 -8.688 16.053 128 2HD LYS 14 HD1 LYS 14 64.888 -10.159 15.578 129 1HE LYS 14 HE2 LYS 14 66.788 -8.015 15.795 130 2HE LYS 14 HE1 LYS 14 65.831 -8.087 17.275 131 1HZ LYS 14 HZ2 LYS 14 66.865 -10.575 16.104 132 2HZ LYS 14 HZ1 LYS 14 67.915 -9.584 16.999 133 3HZ LYS 14 HZ3 LYS 14 66.517 -10.209 17.727 134 H HIS 15 HN HIS 15 60.484 -7.162 12.625 135 HA HIS 15 HA HIS 15 59.288 -6.664 15.176 136 1HB HIS 15 HB2 HIS 15 60.760 -4.468 14.077 137 2HB HIS 15 HB1 HIS 15 59.043 -4.075 14.002 138 HD1 HIS 15 HD1 HIS 15 61.859 -4.489 16.365 139 HD2 HIS 15 HD2 HIS 15 57.709 -4.169 16.599 140 HE1 HIS 15 HE1 HIS 15 61.313 -4.005 18.791 141 H SER 16 HN SER 16 57.387 -7.606 14.594 142 HA SER 16 HA SER 16 56.211 -7.885 12.119 143 1HB SER 16 HB2 SER 16 55.358 -8.147 14.800 144 2HB SER 16 HB1 SER 16 54.114 -7.216 13.971 145 HG SER 16 HG SER 16 54.573 -8.980 12.260 146 H VAL 17 HN VAL 17 55.825 -4.956 14.182 147 HA VAL 17 HA VAL 17 53.931 -3.645 12.526 148 HB VAL 17 HB VAL 17 56.052 -2.548 14.386 149 1HG1 VAL 17 HG13 VAL 17 53.914 -1.189 12.757 150 2HG1 VAL 17 HG12 VAL 17 54.430 -0.510 14.300 151 3HG1 VAL 17 HG11 VAL 17 55.595 -0.711 12.992 152 1HG2 VAL 17 HG22 VAL 17 53.083 -3.107 14.620 153 2HG2 VAL 17 HG21 VAL 17 54.389 -3.830 15.560 154 3HG2 VAL 17 HG23 VAL 17 53.972 -2.132 15.789 155 H VAL 18 HN VAL 18 57.482 -3.685 12.381 156 HA VAL 18 HA VAL 18 57.850 -1.631 10.465 157 HB VAL 18 HB VAL 18 59.410 -4.227 10.512 158 1HG1 VAL 18 HG12 VAL 18 59.757 -2.328 8.776 159 2HG1 VAL 18 HG11 VAL 18 60.456 -1.438 10.129 160 3HG1 VAL 18 HG13 VAL 18 61.173 -2.963 9.615 161 1HG2 VAL 18 HG22 VAL 18 58.949 -2.715 12.758 162 2HG2 VAL 18 HG21 VAL 18 60.387 -3.694 12.483 163 3HG2 VAL 18 HG23 VAL 18 60.411 -1.975 12.116 164 H LYS 19 HN LYS 19 56.461 -4.779 10.191 165 HA LYS 19 HA LYS 19 56.846 -5.236 7.397 166 1HB LYS 19 HB2 LYS 19 55.991 -6.945 9.014 167 2HB LYS 19 HB1 LYS 19 54.469 -6.057 9.097 168 1HG LYS 19 HG2 LYS 19 54.242 -6.316 6.615 169 2HG LYS 19 HG1 LYS 19 55.683 -7.332 6.629 170 1HD LYS 19 HD2 LYS 19 53.035 -7.873 7.990 171 2HD LYS 19 HD1 LYS 19 53.802 -8.818 6.714 172 1HE LYS 19 HE2 LYS 19 55.777 -8.872 8.559 173 2HE LYS 19 HE1 LYS 19 54.378 -8.756 9.626 174 1HZ LYS 19 HZ1 LYS 19 53.544 -10.587 7.880 175 2HZ LYS 19 HZ3 LYS 19 55.207 -10.920 7.887 176 3HZ LYS 19 HZ2 LYS 19 54.326 -10.966 9.340 177 H LYS 20 HN LYS 20 54.084 -3.758 9.145 178 HA LYS 20 HA LYS 20 52.625 -3.033 6.800 179 1HB LYS 20 HB2 LYS 20 51.451 -2.965 8.870 180 2HB LYS 20 HB1 LYS 20 52.665 -1.921 9.609 181 1HG LYS 20 HG2 LYS 20 51.566 -0.091 8.900 182 2HG LYS 20 HG1 LYS 20 51.662 -0.648 7.228 183 1HD LYS 20 HD2 LYS 20 49.315 -0.357 7.910 184 2HD LYS 20 HD1 LYS 20 49.661 -2.058 7.593 185 1HE LYS 20 HE2 LYS 20 48.542 -2.184 9.638 186 2HE LYS 20 HE1 LYS 20 50.226 -2.135 10.156 187 1HZ LYS 20 HZ1 LYS 20 49.515 0.487 9.897 188 2HZ LYS 20 HZ3 LYS 20 48.142 -0.232 10.588 189 3HZ LYS 20 HZ2 LYS 20 49.652 -0.376 11.355 190 H CYS 21 HN CYS 21 54.954 -1.203 8.778 191 HA CYS 21 HA CYS 21 54.884 1.264 7.459 192 1HB CYS 21 HB2 CYS 21 57.189 -0.272 8.679 193 2HB CYS 21 HB1 CYS 21 57.364 1.374 8.078 194 H CYS 22 HN CYS 22 56.796 -1.613 6.611 195 HA CYS 22 HA CYS 22 57.930 -0.440 4.217 196 1HB CYS 22 HB2 CYS 22 59.125 -2.257 5.171 197 2HB CYS 22 HB1 CYS 22 57.679 -3.254 5.295 198 H TYR 23 HN TYR 23 54.976 -2.110 5.027 199 HA TYR 23 HA TYR 23 54.193 -2.948 2.432 200 1HB TYR 23 HB2 TYR 23 52.935 -2.597 5.021 201 2HB TYR 23 HB1 TYR 23 51.845 -2.157 3.719 202 HD1 TYR 23 HD2 TYR 23 51.718 -3.771 1.684 203 HD2 TYR 23 HD1 TYR 23 53.250 -4.809 5.549 204 HE1 TYR 23 HE2 TYR 23 51.364 -6.175 1.173 205 HE2 TYR 23 HE1 TYR 23 52.903 -7.176 5.039 206 HH TYR 23 HH TYR 23 52.615 -8.677 3.241 207 H ASP 24 HN ASP 24 53.338 0.049 4.200 208 HA ASP 24 HA ASP 24 52.091 1.318 1.946 209 1HB ASP 24 HB2 ASP 24 53.487 2.882 4.098 210 2HB ASP 24 HB1 ASP 24 51.964 3.232 3.289 211 H GLY 25 HN GLY 25 55.379 1.511 3.317 212 1HA GLY 25 HA2 GLY 25 56.566 3.428 1.724 213 2HA GLY 25 HA1 GLY 25 57.402 1.932 2.160 214 H ALA 26 HN ALA 26 56.236 -0.020 0.795 215 HA ALA 26 HA ALA 26 57.031 0.415 -1.933 216 1HB ALA 26 HB1 ALA 26 56.295 -1.795 -0.323 217 2HB ALA 26 HB3 ALA 26 55.180 -1.787 -1.689 218 3HB ALA 26 HB2 ALA 26 56.920 -1.835 -1.972 219 H CYS 27 HN CYS 27 53.916 0.545 -0.261 220 HA CYS 27 HA CYS 27 52.454 0.944 -2.790 221 1HB CYS 27 HB2 CYS 27 51.680 0.754 0.112 222 2HB CYS 27 HB1 CYS 27 50.538 1.387 -1.073 223 HG CYS 27 HG CYS 27 50.576 -1.377 -0.714 224 H VAL 28 HN VAL 28 54.494 2.892 -1.365 225 HA VAL 28 HA VAL 28 53.626 5.249 -0.429 226 HB VAL 28 HB VAL 28 55.880 5.186 -1.135 227 1HG1 VAL 28 HG12 VAL 28 54.828 4.684 -3.935 228 2HG1 VAL 28 HG11 VAL 28 56.527 4.893 -3.515 229 3HG1 VAL 28 HG13 VAL 28 55.632 3.503 -2.900 230 1HG2 VAL 28 HG22 VAL 28 54.720 7.412 -1.473 231 2HG2 VAL 28 HG21 VAL 28 56.165 7.187 -2.459 232 3HG2 VAL 28 HG23 VAL 28 54.567 6.998 -3.179 233 H ASN 29 HN ASN 29 52.525 7.132 -1.165 234 HA ASN 29 HA ASN 29 50.622 6.631 -3.374 235 1HB ASN 29 HB2 ASN 29 50.380 7.883 -0.909 236 2HB ASN 29 HB1 ASN 29 50.449 9.233 -2.043 237 1HD2 ASN 29 HD22 ASN 29 46.887 8.232 -1.906 238 2HD2 ASN 29 HD21 ASN 29 48.011 8.945 -0.854 239 H ASN 30 HN ASN 30 53.077 9.056 -2.440 240 HA ASN 30 HA ASN 30 52.945 10.114 -5.227 241 1HB ASN 30 HB2 ASN 30 52.703 11.741 -3.334 242 2HB ASN 30 HB1 ASN 30 54.334 11.314 -2.813 243 1HD2 ASN 30 HD22 ASN 30 55.870 13.422 -5.173 244 2HD2 ASN 30 HD21 ASN 30 56.026 12.466 -3.779 245 H ASP 31 HN ASP 31 54.811 10.090 -6.527 246 HA ASP 31 HA ASP 31 56.629 8.019 -6.393 247 1HB ASP 31 HB2 ASP 31 56.614 10.675 -7.684 248 2HB ASP 31 HB1 ASP 31 58.218 9.971 -7.470 249 H GLU 32 HN GLU 32 57.744 11.310 -5.583 250 HA GLU 32 HA GLU 32 59.861 10.234 -3.892 251 1HB GLU 32 HB2 GLU 32 59.432 12.625 -5.247 252 2HB GLU 32 HB1 GLU 32 59.275 13.073 -3.549 253 1HG GLU 32 HG2 GLU 32 61.459 12.448 -3.039 254 2HG GLU 32 HG1 GLU 32 61.554 11.312 -4.385 255 H THR 33 HN THR 33 59.644 12.399 -1.900 256 HA THR 33 HA THR 33 59.018 11.787 0.444 257 HB THR 33 HB THR 33 57.193 13.531 0.784 258 HG1 THR 33 HG1 THR 33 57.505 13.566 -2.022 259 1HG2 THR 33 HG23 THR 33 59.712 13.930 0.760 260 2HG2 THR 33 HG22 THR 33 59.514 14.484 -0.902 261 3HG2 THR 33 HG21 THR 33 58.708 15.338 0.415 262 H CYS 34 HN CYS 34 58.262 9.500 -0.052 263 HA CYS 34 HA CYS 34 55.601 8.826 -0.671 264 1HB CYS 34 HB2 CYS 34 57.288 7.367 1.373 265 2HB CYS 34 HB1 CYS 34 56.057 6.687 0.315 266 H GLU 35 HN GLU 35 56.423 8.134 2.702 267 HA GLU 35 HA GLU 35 53.843 8.959 3.636 268 1HB GLU 35 HB2 GLU 35 56.391 8.712 5.262 269 2HB GLU 35 HB1 GLU 35 54.748 8.640 5.882 270 1HG GLU 35 HG2 GLU 35 55.559 6.729 3.722 271 2HG GLU 35 HG1 GLU 35 56.056 6.410 5.384 272 H GLN 36 HN GLN 36 56.965 10.618 3.395 273 HA GLN 36 HA GLN 36 56.473 12.921 4.928 274 1HB GLN 36 HB2 GLN 36 58.138 12.239 2.609 275 2HB GLN 36 HB1 GLN 36 57.613 13.923 2.589 276 1HG GLN 36 HG2 GLN 36 58.560 14.346 4.734 277 2HG GLN 36 HG1 GLN 36 58.804 12.629 5.047 278 1HE2 GLN 36 HE22 GLN 36 61.532 14.683 2.814 279 2HE2 GLN 36 HE21 GLN 36 60.086 15.426 3.304 280 H ARG 37 HN ARG 37 55.237 11.879 1.854 281 HA ARG 37 HA ARG 37 53.697 14.337 1.383 282 1HB ARG 37 HB2 ARG 37 54.597 13.060 -0.539 283 2HB ARG 37 HB1 ARG 37 53.658 11.652 -0.041 284 1HG ARG 37 HG2 ARG 37 52.084 12.488 -1.452 285 2HG ARG 37 HG1 ARG 37 51.719 13.576 -0.112 286 1HD ARG 37 HD2 ARG 37 52.533 15.373 -1.218 287 2HD ARG 37 HD1 ARG 37 53.978 14.500 -1.727 288 HE ARG 37 HE ARG 37 52.927 14.175 -3.802 289 1HH1 ARG 37 HH21 ARG 37 50.872 12.487 -3.823 290 2HH1 ARG 37 HH22 ARG 37 49.396 13.395 -3.777 291 1HH2 ARG 37 HH12 ARG 37 50.911 16.304 -2.652 292 2HH2 ARG 37 HH11 ARG 37 49.418 15.555 -3.114 293 H ALA 38 HN ALA 38 53.245 11.043 2.591 294 HA ALA 38 HA ALA 38 50.500 10.725 2.680 295 1HB ALA 38 HB1 ALA 38 52.664 10.053 4.654 296 2HB ALA 38 HB3 ALA 38 50.986 9.842 5.140 297 3HB ALA 38 HB2 ALA 38 51.619 8.968 3.748 298 H ALA 39 HN ALA 39 52.423 12.426 5.110 299 HA ALA 39 HA ALA 39 50.797 14.734 5.270 300 1HB ALA 39 HB1 ALA 39 49.800 12.397 6.798 301 2HB ALA 39 HB3 ALA 39 49.933 13.889 7.728 302 3HB ALA 39 HB2 ALA 39 48.938 13.843 6.272 303 H ARG 40 HN ARG 40 52.426 12.342 7.241 304 HA ARG 40 HA ARG 40 54.757 13.848 7.784 305 1HB ARG 40 HB2 ARG 40 52.455 14.525 9.467 306 2HB ARG 40 HB1 ARG 40 53.852 13.978 10.396 307 1HG ARG 40 HG2 ARG 40 55.211 15.717 9.641 308 2HG ARG 40 HG1 ARG 40 54.246 15.971 8.186 309 1HD ARG 40 HD2 ARG 40 52.889 17.446 9.230 310 2HD ARG 40 HD1 ARG 40 52.695 16.389 10.627 311 HE ARG 40 HE ARG 40 54.711 18.519 10.335 312 1HH1 ARG 40 HH12 ARG 40 52.785 16.964 12.508 313 2HH1 ARG 40 HH11 ARG 40 53.988 16.749 13.735 314 1HH2 ARG 40 HH21 ARG 40 56.620 17.715 11.695 315 2HH2 ARG 40 HH22 ARG 40 56.160 17.175 13.275 316 H ILE 41 HN ILE 41 55.964 11.970 7.855 317 HA ILE 41 HA ILE 41 55.054 9.460 8.668 318 HB ILE 41 HB ILE 41 57.292 9.856 7.598 319 1HG1 ILE 41 HG12 ILE 41 58.395 8.047 8.911 320 2HG1 ILE 41 HG11 ILE 41 57.173 8.257 10.166 321 1HG2 ILE 41 HG21 ILE 41 57.806 11.710 9.371 322 2HG2 ILE 41 HG23 ILE 41 58.333 10.359 10.373 323 3HG2 ILE 41 HG22 ILE 41 59.116 10.665 8.824 324 1HD1 ILE 41 HD11 ILE 41 56.349 7.792 7.306 325 2HD1 ILE 41 HD13 ILE 41 56.748 6.432 8.356 326 3HD1 ILE 41 HD12 ILE 41 55.422 7.515 8.781 327 H SER 42 HN SER 42 53.796 9.402 10.427 328 HA SER 42 HA SER 42 55.250 9.721 12.950 329 1HB SER 42 HB2 SER 42 53.787 11.201 13.928 330 2HB SER 42 HB1 SER 42 53.667 11.750 12.255 331 HG SER 42 HG SER 42 51.833 10.460 13.851 332 H LEU 43 HN LEU 43 54.862 7.372 11.788 333 HA LEU 43 HA LEU 43 52.613 6.269 13.357 334 1HB LEU 43 HB2 LEU 43 53.944 5.012 10.937 335 2HB LEU 43 HB1 LEU 43 52.514 4.408 11.775 336 HG LEU 43 HG LEU 43 52.064 7.153 11.091 337 1HD1 LEU 43 HD13 LEU 43 53.799 6.777 9.355 338 2HD1 LEU 43 HD12 LEU 43 52.881 5.394 8.757 339 3HD1 LEU 43 HD11 LEU 43 52.202 7.018 8.645 340 1HD2 LEU 43 HD21 LEU 43 50.636 4.834 11.276 341 2HD2 LEU 43 HD23 LEU 43 50.031 6.297 10.498 342 3HD2 LEU 43 HD22 LEU 43 50.746 5.013 9.524 343 H GLY 44 HN GLY 44 55.916 6.618 13.229 344 1HA GLY 44 HA2 GLY 44 56.706 5.366 15.477 345 2HA GLY 44 HA1 GLY 44 56.540 3.974 14.408 346 HA PRO 45 HA PRO 45 60.761 6.107 13.752 347 1HB PRO 45 HB2 PRO 45 62.276 4.385 15.207 348 2HB PRO 45 HB1 PRO 45 61.538 5.832 15.904 349 1HG PRO 45 HG2 PRO 45 60.748 2.991 16.207 350 2HG PRO 45 HG1 PRO 45 60.609 4.332 17.354 351 1HD PRO 45 HD2 PRO 45 58.530 3.298 15.837 352 2HD PRO 45 HD1 PRO 45 58.526 4.876 16.624 353 H ARG 46 HN ARG 46 60.478 2.585 14.356 354 HA ARG 46 HA ARG 46 62.148 1.686 12.298 355 1HB ARG 46 HB2 ARG 46 61.222 -0.411 12.652 356 2HB ARG 46 HB1 ARG 46 60.707 0.398 14.127 357 1HG ARG 46 HG2 ARG 46 59.008 0.208 11.619 358 2HG ARG 46 HG1 ARG 46 58.867 -0.882 12.994 359 1HD ARG 46 HD2 ARG 46 58.825 1.937 13.783 360 2HD ARG 46 HD1 ARG 46 57.503 1.510 12.701 361 HE ARG 46 HE ARG 46 56.560 0.554 14.633 362 1HH1 ARG 46 HH21 ARG 46 57.974 -1.972 14.323 363 2HH1 ARG 46 HH22 ARG 46 58.884 -2.116 15.789 364 1HH2 ARG 46 HH12 ARG 46 58.587 1.238 16.616 365 2HH2 ARG 46 HH11 ARG 46 59.232 -0.298 17.087 366 H CYS 47 HN CYS 47 59.005 3.119 12.130 367 HA CYS 47 HA CYS 47 58.212 2.284 9.490 368 1HB CYS 47 HB2 CYS 47 57.178 3.891 11.552 369 2HB CYS 47 HB1 CYS 47 57.406 4.994 10.190 370 H ILE 48 HN ILE 48 59.532 5.396 10.598 371 HA ILE 48 HA ILE 48 59.875 6.770 8.305 372 HB ILE 48 HB ILE 48 61.120 6.731 10.862 373 1HG1 ILE 48 HG12 ILE 48 61.776 9.126 9.579 374 2HG1 ILE 48 HG11 ILE 48 60.297 8.582 8.785 375 1HG2 ILE 48 HG22 ILE 48 63.062 6.959 8.568 376 2HG2 ILE 48 HG21 ILE 48 63.340 7.778 10.103 377 3HG2 ILE 48 HG23 ILE 48 63.220 6.022 10.054 378 1HD1 ILE 48 HD12 ILE 48 60.479 8.451 11.776 379 2HD1 ILE 48 HD11 ILE 48 60.148 10.001 11.002 380 3HD1 ILE 48 HD13 ILE 48 59.055 8.640 10.753 381 H LYS 49 HN LYS 49 62.477 4.499 9.350 382 HA LYS 49 HA LYS 49 63.605 4.557 6.654 383 1HB LYS 49 HB2 LYS 49 65.393 3.260 7.556 384 2HB LYS 49 HB1 LYS 49 64.947 4.419 8.809 385 1HG LYS 49 HG2 LYS 49 63.500 2.671 9.853 386 2HG LYS 49 HG1 LYS 49 64.082 1.517 8.653 387 1HD LYS 49 HD2 LYS 49 66.220 1.446 9.555 388 2HD LYS 49 HD1 LYS 49 66.090 3.060 10.253 389 1HE LYS 49 HE2 LYS 49 66.012 1.345 12.019 390 2HE LYS 49 HE1 LYS 49 64.477 2.208 11.920 391 1HZ LYS 49 HZ1 LYS 49 63.838 0.322 10.315 392 2HZ LYS 49 HZ3 LYS 49 65.129 -0.522 11.021 393 3HZ LYS 49 HZ2 LYS 49 63.833 0.007 11.984 394 H ALA 50 HN ALA 50 61.400 2.455 8.369 395 HA ALA 50 HA ALA 50 61.949 0.140 6.726 396 1HB ALA 50 HB3 ALA 50 59.481 0.848 8.349 397 2HB ALA 50 HB2 ALA 50 59.813 -0.733 7.640 398 3HB ALA 50 HB1 ALA 50 60.848 -0.106 8.921 399 H PHE 51 HN PHE 51 59.134 2.294 6.897 400 HA PHE 51 HA PHE 51 58.127 1.550 4.379 401 1HB PHE 51 HB2 PHE 51 56.491 3.091 4.752 402 2HB PHE 51 HB1 PHE 51 57.122 3.035 6.391 403 HD1 PHE 51 HD2 PHE 51 57.471 4.870 3.133 404 HD2 PHE 51 HD1 PHE 51 57.978 4.993 7.384 405 HE1 PHE 51 HE2 PHE 51 58.041 7.282 3.010 406 HE2 PHE 51 HE1 PHE 51 58.532 7.393 7.254 407 HZ PHE 51 HZ PHE 51 58.561 8.541 5.081 408 H THR 52 HN THR 52 60.133 4.362 5.338 409 HA THR 52 HA THR 52 60.276 5.514 2.775 410 HB THR 52 HB THR 52 62.421 5.429 4.913 411 HG1 THR 52 HG1 THR 52 61.565 7.542 5.298 412 1HG2 THR 52 HG23 THR 52 62.338 6.597 2.211 413 2HG2 THR 52 HG22 THR 52 62.797 7.732 3.480 414 3HG2 THR 52 HG21 THR 52 63.723 6.250 3.246 415 H GLU 53 HN GLU 53 62.218 2.918 4.178 416 HA GLU 53 HA GLU 53 64.058 2.618 2.028 417 1HB GLU 53 HB2 GLU 53 64.554 1.659 4.178 418 2HB GLU 53 HB1 GLU 53 63.090 0.682 4.107 419 1HG GLU 53 HG2 GLU 53 65.102 -0.644 3.520 420 2HG GLU 53 HG1 GLU 53 63.960 -0.547 2.180 421 H CYS 54 HN CYS 54 60.944 1.025 2.696 422 HA CYS 54 HA CYS 54 61.164 -0.689 0.354 423 1HB CYS 54 HB2 CYS 54 58.959 -0.077 2.315 424 2HB CYS 54 HB1 CYS 54 58.663 -1.062 0.880 425 H CYS 55 HN CYS 55 59.988 2.493 1.019 426 HA CYS 55 HA CYS 55 58.415 2.605 -1.461 427 1HB CYS 55 HB2 CYS 55 57.454 4.454 -0.551 428 2HB CYS 55 HB1 CYS 55 58.215 3.930 0.940 429 H VAL 56 HN VAL 56 61.611 3.311 -0.333 430 HA VAL 56 HA VAL 56 62.298 4.999 -2.635 431 HB VAL 56 HB VAL 56 64.081 3.607 -0.600 432 1HG1 VAL 56 HG11 VAL 56 64.594 5.146 -3.027 433 2HG1 VAL 56 HG13 VAL 56 65.379 5.847 -1.612 434 3HG1 VAL 56 HG12 VAL 56 65.701 4.172 -2.062 435 1HG2 VAL 56 HG22 VAL 56 62.314 5.694 -0.155 436 2HG2 VAL 56 HG21 VAL 56 63.740 5.341 0.817 437 3HG2 VAL 56 HG23 VAL 56 63.832 6.529 -0.483 438 H VAL 57 HN VAL 57 62.817 1.668 -1.540 439 HA VAL 57 HA VAL 57 64.327 0.885 -3.870 440 HB VAL 57 HB VAL 57 63.798 -1.418 -3.124 441 1HG1 VAL 57 HG12 VAL 57 64.536 0.539 -0.930 442 2HG1 VAL 57 HG11 VAL 57 64.727 -1.208 -0.787 443 3HG1 VAL 57 HG13 VAL 57 65.644 -0.319 -2.002 444 1HG2 VAL 57 HG21 VAL 57 61.981 0.023 -1.174 445 2HG2 VAL 57 HG23 VAL 57 61.488 -1.101 -2.438 446 3HG2 VAL 57 HG22 VAL 57 62.407 -1.684 -1.051 447 H ALA 58 HN ALA 58 60.968 0.755 -2.815 448 HA ALA 58 HA ALA 58 59.892 -0.404 -5.203 449 1HB ALA 58 HB1 ALA 58 58.624 1.531 -3.235 450 2HB ALA 58 HB3 ALA 58 57.750 0.541 -4.404 451 3HB ALA 58 HB2 ALA 58 58.617 -0.225 -3.071 452 H SER 59 HN SER 59 60.986 2.706 -4.211 453 HA SER 59 HA SER 59 59.736 4.395 -6.110 454 1HB SER 59 HB2 SER 59 61.588 4.613 -4.093 455 2HB SER 59 HB1 SER 59 62.480 5.115 -5.522 456 HG SER 59 HG SER 59 60.253 6.286 -5.842 457 H GLN 60 HN GLN 60 63.096 3.282 -6.170 458 HA GLN 60 HA GLN 60 63.621 3.863 -8.891 459 1HB GLN 60 HB2 GLN 60 64.914 2.525 -6.676 460 2HB GLN 60 HB1 GLN 60 65.177 1.635 -8.177 461 1HG GLN 60 HG2 GLN 60 66.368 3.359 -9.143 462 2HG GLN 60 HG1 GLN 60 65.445 4.598 -8.288 463 1HE2 GLN 60 HE22 GLN 60 67.478 4.340 -5.293 464 2HE2 GLN 60 HE21 GLN 60 65.868 4.579 -5.775 465 H LEU 61 HN LEU 61 62.087 1.134 -7.364 466 HA LEU 61 HA LEU 61 62.329 -0.693 -9.574 467 1HB LEU 61 HB2 LEU 61 60.589 -0.496 -7.130 468 2HB LEU 61 HB1 LEU 61 60.290 -1.741 -8.333 469 HG LEU 61 HG LEU 61 62.763 -1.323 -6.691 470 1HD1 LEU 61 HD13 LEU 61 60.446 -3.032 -6.551 471 2HD1 LEU 61 HD12 LEU 61 61.899 -4.010 -6.754 472 3HD1 LEU 61 HD11 LEU 61 61.777 -2.883 -5.404 473 1HD2 LEU 61 HD21 LEU 61 62.322 -2.952 -9.191 474 2HD2 LEU 61 HD23 LEU 61 63.646 -1.845 -8.831 475 3HD2 LEU 61 HD22 LEU 61 63.551 -3.404 -8.010 476 H ARG 62 HN ARG 62 60.015 1.783 -8.594 477 HA ARG 62 HA ARG 62 58.401 1.157 -10.992 478 1HB ARG 62 HB2 ARG 62 56.625 2.442 -10.013 479 2HB ARG 62 HB1 ARG 62 57.279 1.415 -8.739 480 1HG ARG 62 HG2 ARG 62 58.506 3.226 -7.780 481 2HG ARG 62 HG1 ARG 62 58.220 4.255 -9.183 482 1HD ARG 62 HD2 ARG 62 56.494 5.085 -7.955 483 2HD ARG 62 HD1 ARG 62 55.656 3.616 -8.446 484 HE ARG 62 HE ARG 62 55.800 2.874 -6.220 485 1HH1 ARG 62 HH12 ARG 62 57.252 5.905 -6.470 486 2HH1 ARG 62 HH11 ARG 62 58.190 5.759 -5.022 487 1HH2 ARG 62 HH21 ARG 62 57.388 2.424 -4.522 488 2HH2 ARG 62 HH22 ARG 62 58.263 3.790 -3.917 489 H ALA 63 HN ALA 63 60.987 3.102 -10.252 490 HA ALA 63 HA ALA 63 60.047 5.511 -11.645 491 1HB ALA 63 HB1 ALA 63 62.468 4.681 -10.156 492 2HB ALA 63 HB3 ALA 63 62.746 5.817 -11.478 493 3HB ALA 63 HB2 ALA 63 61.634 6.234 -10.174 494 H ASN 64 HN ASN 64 63.192 4.128 -12.341 495 HA ASN 64 HA ASN 64 63.038 4.602 -15.125 496 1HB ASN 64 HB2 ASN 64 64.886 3.363 -13.288 497 2HB ASN 64 HB1 ASN 64 64.762 2.389 -14.755 498 1HD2 ASN 64 HD22 ASN 64 67.273 5.204 -15.207 499 2HD2 ASN 64 HD21 ASN 64 67.089 4.028 -13.997 500 H ILE 65 HN ILE 65 61.577 2.109 -13.264 501 HA ILE 65 HA ILE 65 61.307 0.335 -15.627 502 HB ILE 65 HB ILE 65 59.985 -0.260 -13.010 503 1HG1 ILE 65 HG12 ILE 65 62.174 0.560 -12.306 504 2HG1 ILE 65 HG11 ILE 65 62.158 -1.199 -12.185 505 1HG2 ILE 65 HG22 ILE 65 61.121 -1.704 -15.356 506 2HG2 ILE 65 HG21 ILE 65 61.236 -2.509 -13.791 507 3HG2 ILE 65 HG23 ILE 65 59.659 -2.041 -14.427 508 1HD1 ILE 65 HD13 ILE 65 62.985 -0.262 -14.832 509 2HD1 ILE 65 HD12 ILE 65 64.052 0.303 -13.546 510 3HD1 ILE 65 HD11 ILE 65 63.765 -1.424 -13.759 511 H SER 66 HN SER 66 58.954 -0.662 -15.744 512 HA SER 66 HA SER 66 56.685 0.874 -14.997 513 1HB SER 66 HB2 SER 66 58.184 1.938 -17.246 514 2HB SER 66 HB1 SER 66 56.559 1.474 -17.739 515 HG SER 66 HG SER 66 56.040 2.621 -15.595 516 H HIS 67 HN HIS 67 57.545 -1.874 -15.340 517 HA HIS 67 HA HIS 67 55.254 -2.834 -16.942 518 1HB HIS 67 HB2 HIS 67 58.000 -2.963 -17.846 519 2HB HIS 67 HB1 HIS 67 57.361 -4.587 -17.607 520 HD1 HIS 67 HD1 HIS 67 56.531 -1.361 -19.432 521 HD2 HIS 67 HD2 HIS 67 55.540 -5.409 -19.558 522 HE1 HIS 67 HE1 HIS 67 55.126 -1.690 -21.513 523 H LYS 68 HN LYS 68 56.028 -5.594 -16.812 524 HA LYS 68 HA LYS 68 55.017 -6.612 -14.528 525 1HB LYS 68 HB2 LYS 68 57.300 -7.497 -16.220 526 2HB LYS 68 HB1 LYS 68 57.110 -8.305 -14.664 527 1HG LYS 68 HG2 LYS 68 54.577 -7.962 -16.113 528 2HG LYS 68 HG1 LYS 68 55.745 -8.969 -16.970 529 1HD LYS 68 HD2 LYS 68 55.771 -9.659 -14.176 530 2HD LYS 68 HD1 LYS 68 54.111 -9.712 -14.774 531 1HE LYS 68 HE2 LYS 68 55.038 -11.041 -16.765 532 2HE LYS 68 HE1 LYS 68 56.515 -11.219 -15.817 533 1HZ LYS 68 HZ2 LYS 68 54.067 -11.809 -14.393 534 2HZ LYS 68 HZ1 LYS 68 54.420 -12.877 -15.666 535 3HZ LYS 68 HZ3 LYS 68 55.544 -12.650 -14.415 536 H ASP 69 HN ASP 69 58.334 -5.359 -14.734 537 HA ASP 69 HA ASP 69 59.021 -5.881 -12.009 538 1HB ASP 69 HB2 ASP 69 60.126 -4.199 -14.229 539 2HB ASP 69 HB1 ASP 69 60.646 -3.842 -12.581 540 H MET 70 HN MET 70 58.094 -2.864 -13.703 541 HA MET 70 HA MET 70 57.677 -1.386 -11.250 542 1HB MET 70 HB2 MET 70 58.169 -0.293 -13.425 543 2HB MET 70 HB1 MET 70 56.613 -0.848 -14.041 544 1HG MET 70 HG2 MET 70 56.651 0.684 -11.475 545 2HG MET 70 HG1 MET 70 56.870 1.574 -12.981 546 1HE MET 70 HE3 MET 70 55.089 2.475 -11.427 547 2HE MET 70 HE2 MET 70 53.871 2.832 -12.649 548 3HE MET 70 HE1 MET 70 53.442 1.858 -11.245 549 H GLN 71 HN GLN 71 55.219 -2.229 -13.725 550 HA GLN 71 HA GLN 71 52.919 -1.814 -12.276 551 1HB GLN 71 HB2 GLN 71 52.871 -2.628 -14.587 552 2HB GLN 71 HB1 GLN 71 53.487 -4.196 -14.067 553 1HG GLN 71 HG2 GLN 71 51.345 -3.963 -12.419 554 2HG GLN 71 HG1 GLN 71 50.759 -3.061 -13.816 555 1HE2 GLN 71 HE22 GLN 71 49.856 -6.128 -15.300 556 2HE2 GLN 71 HE21 GLN 71 49.368 -4.580 -14.805 557 H LEU 72 HN LEU 72 55.034 -4.692 -12.025 558 HA LEU 72 HA LEU 72 53.397 -5.567 -9.677 559 1HB LEU 72 HB2 LEU 72 54.717 -6.965 -11.827 560 2HB LEU 72 HB1 LEU 72 55.360 -7.513 -10.277 561 HG LEU 72 HG LEU 72 53.060 -7.910 -9.490 562 1HD1 LEU 72 HD11 LEU 72 52.089 -6.085 -10.905 563 2HD1 LEU 72 HD13 LEU 72 52.276 -7.136 -12.308 564 3HD1 LEU 72 HD12 LEU 72 51.188 -7.598 -10.998 565 1HD2 LEU 72 HD23 LEU 72 54.409 -9.325 -11.581 566 2HD2 LEU 72 HD22 LEU 72 53.296 -9.973 -10.377 567 3HD2 LEU 72 HD21 LEU 72 52.679 -9.378 -11.919 568 H GLY 73 HN GLY 73 56.813 -6.082 -10.429 569 1HA GLY 73 HA2 GLY 73 57.914 -6.110 -7.942 570 2HA GLY 73 HA1 GLY 73 58.743 -5.341 -9.297 571 H ARG 74 HN ARG 74 56.631 -3.298 -9.597 572 HA ARG 74 HA ARG 74 56.226 -1.113 -8.828 573 1HB ARG 74 HB2 ARG 74 56.536 -2.459 -6.125 574 2HB ARG 74 HB1 ARG 74 55.836 -0.864 -6.399 575 1HG ARG 74 HG2 ARG 74 54.563 -2.739 -8.156 576 2HG ARG 74 HG1 ARG 74 54.519 -3.383 -6.514 577 1HD ARG 74 HD2 ARG 74 52.562 -2.015 -6.765 578 2HD ARG 74 HD1 ARG 74 53.690 -1.098 -5.766 579 HE ARG 74 HE ARG 74 53.628 -0.593 -8.700 580 1HH1 ARG 74 HH12 ARG 74 54.384 0.635 -5.683 581 2HH1 ARG 74 HH11 ARG 74 53.689 2.200 -5.945 582 1HH2 ARG 74 HH21 ARG 74 52.187 1.326 -8.945 583 2HH2 ARG 74 HH22 ARG 74 52.449 2.591 -7.792 No H/Q in entry = 583 Start of MODEL 18 1 H MET 1 HN MET 1 55.702 -10.302 -10.384 2 HA MET 1 HA MET 1 55.785 -10.373 -7.646 3 1HB MET 1 HB2 MET 1 57.540 -8.768 -9.498 4 2HB MET 1 HB1 MET 1 57.863 -8.957 -7.774 5 1HG MET 1 HG2 MET 1 58.937 -10.872 -8.302 6 2HG MET 1 HG1 MET 1 57.347 -11.553 -8.644 7 1HE MET 1 HE2 MET 1 58.920 -13.176 -10.038 8 2HE MET 1 HE1 MET 1 57.282 -12.978 -10.656 9 3HE MET 1 HE3 MET 1 58.654 -13.016 -11.772 10 H LEU 2 HN LEU 2 53.596 -9.106 -7.417 11 HA LEU 2 HA LEU 2 53.787 -6.210 -7.379 12 1HB LEU 2 HB2 LEU 2 51.639 -7.605 -7.530 13 2HB LEU 2 HB1 LEU 2 51.833 -7.891 -5.802 14 HG LEU 2 HG LEU 2 52.119 -5.258 -5.732 15 1HD1 LEU 2 HD12 LEU 2 51.299 -5.803 -8.455 16 2HD1 LEU 2 HD11 LEU 2 50.089 -4.816 -7.636 17 3HD1 LEU 2 HD13 LEU 2 51.763 -4.267 -7.724 18 1HD2 LEU 2 HD23 LEU 2 50.184 -6.963 -4.963 19 2HD2 LEU 2 HD22 LEU 2 49.992 -5.214 -4.848 20 3HD2 LEU 2 HD21 LEU 2 49.296 -6.091 -6.212 21 H GLN 3 HN GLN 3 55.545 -8.263 -5.642 22 HA GLN 3 HA GLN 3 56.213 -6.445 -3.576 23 1HB GLN 3 HB2 GLN 3 55.143 -7.385 -1.632 24 2HB GLN 3 HB1 GLN 3 53.871 -7.077 -2.816 25 1HG GLN 3 HG2 GLN 3 54.616 -9.609 -3.510 26 2HG GLN 3 HG1 GLN 3 54.879 -9.647 -1.765 27 1HE2 GLN 3 HE22 GLN 3 51.056 -8.740 -3.012 28 2HE2 GLN 3 HE21 GLN 3 52.373 -8.134 -3.894 29 H LYS 4 HN LYS 4 57.865 -7.811 -5.128 30 HA LYS 4 HA LYS 4 58.642 -10.322 -3.772 31 1HB LYS 4 HB2 LYS 4 58.578 -10.095 -6.306 32 2HB LYS 4 HB1 LYS 4 59.959 -9.008 -6.160 33 1HG LYS 4 HG2 LYS 4 60.024 -11.724 -4.866 34 2HG LYS 4 HG1 LYS 4 60.411 -11.540 -6.577 35 1HD LYS 4 HD2 LYS 4 62.489 -10.898 -6.001 36 2HD LYS 4 HD1 LYS 4 61.798 -9.478 -5.216 37 1HE LYS 4 HE2 LYS 4 63.085 -10.634 -3.547 38 2HE LYS 4 HE1 LYS 4 61.387 -10.933 -3.178 39 1HZ LYS 4 HZ3 LYS 4 62.251 -12.890 -4.979 40 2HZ LYS 4 HZ2 LYS 4 63.400 -12.799 -3.730 41 3HZ LYS 4 HZ1 LYS 4 61.766 -13.091 -3.367 42 H LYS 5 HN LYS 5 60.459 -7.476 -4.983 43 HA LYS 5 HA LYS 5 62.558 -7.922 -3.061 44 1HB LYS 5 HB2 LYS 5 63.466 -6.824 -4.852 45 2HB LYS 5 HB1 LYS 5 61.963 -5.987 -5.226 46 1HG LYS 5 HG2 LYS 5 63.590 -4.355 -4.492 47 2HG LYS 5 HG1 LYS 5 62.361 -4.511 -3.247 48 1HD LYS 5 HD2 LYS 5 64.034 -6.361 -2.325 49 2HD LYS 5 HD1 LYS 5 65.210 -5.412 -3.234 50 1HE LYS 5 HE2 LYS 5 64.746 -3.440 -1.981 51 2HE LYS 5 HE1 LYS 5 63.282 -4.139 -1.287 52 1HZ LYS 5 HZ3 LYS 5 65.909 -5.398 -0.837 53 2HZ LYS 5 HZ2 LYS 5 65.404 -4.091 0.123 54 3HZ LYS 5 HZ1 LYS 5 64.494 -5.526 0.088 55 H ILE 6 HN ILE 6 59.492 -6.514 -2.844 56 HA ILE 6 HA ILE 6 60.324 -4.765 -0.583 57 HB ILE 6 HB ILE 6 57.553 -5.030 -1.764 58 1HG1 ILE 6 HG12 ILE 6 59.460 -4.491 -3.421 59 2HG1 ILE 6 HG11 ILE 6 58.092 -3.370 -3.369 60 1HG2 ILE 6 HG23 ILE 6 58.773 -3.497 0.356 61 2HG2 ILE 6 HG22 ILE 6 58.183 -2.409 -0.898 62 3HG2 ILE 6 HG21 ILE 6 57.080 -3.551 -0.132 63 1HD1 ILE 6 HD12 ILE 6 60.634 -2.976 -1.768 64 2HD1 ILE 6 HD11 ILE 6 60.371 -2.264 -3.361 65 3HD1 ILE 6 HD13 ILE 6 59.330 -1.812 -2.010 66 H GLU 7 HN GLU 7 58.609 -7.720 -1.343 67 HA GLU 7 HA GLU 7 57.456 -7.970 1.339 68 1HB GLU 7 HB2 GLU 7 56.375 -9.096 -0.578 69 2HB GLU 7 HB1 GLU 7 57.837 -10.045 -0.847 70 1HG GLU 7 HG2 GLU 7 56.490 -11.496 0.425 71 2HG GLU 7 HG1 GLU 7 57.552 -10.772 1.634 72 H GLU 8 HN GLU 8 60.455 -8.575 -0.242 73 HA GLU 8 HA GLU 8 61.424 -10.569 1.645 74 1HB GLU 8 HB2 GLU 8 63.536 -10.338 0.507 75 2HB GLU 8 HB1 GLU 8 62.280 -10.258 -0.727 76 1HG GLU 8 HG2 GLU 8 62.447 -7.849 -0.862 77 2HG GLU 8 HG1 GLU 8 63.490 -7.804 0.569 78 H ILE 9 HN ILE 9 61.720 -7.051 1.243 79 HA ILE 9 HA ILE 9 63.450 -6.787 3.585 80 HB ILE 9 HB ILE 9 63.642 -5.158 1.760 81 1HG1 ILE 9 HG12 ILE 9 63.741 -3.202 3.090 82 2HG1 ILE 9 HG11 ILE 9 62.344 -3.683 4.049 83 1HG2 ILE 9 HG21 ILE 9 60.779 -4.462 2.459 84 2HG2 ILE 9 HG23 ILE 9 61.792 -3.597 1.302 85 3HG2 ILE 9 HG22 ILE 9 61.313 -5.263 0.981 86 1HD1 ILE 9 HD11 ILE 9 64.693 -5.509 4.130 87 2HD1 ILE 9 HD13 ILE 9 64.875 -3.954 4.943 88 3HD1 ILE 9 HD12 ILE 9 63.581 -5.052 5.418 89 H ALA 10 HN ALA 10 60.056 -6.650 2.845 90 HA ALA 10 HA ALA 10 59.238 -5.425 5.342 91 1HB ALA 10 HB1 ALA 10 57.942 -5.698 3.074 92 2HB ALA 10 HB3 ALA 10 57.490 -7.266 3.743 93 3HB ALA 10 HB2 ALA 10 57.055 -5.784 4.596 94 H ALA 11 HN ALA 11 59.593 -8.706 4.106 95 HA ALA 11 HA ALA 11 58.609 -9.946 6.554 96 1HB ALA 11 HB2 ALA 11 59.762 -10.889 3.963 97 2HB ALA 11 HB1 ALA 11 59.845 -11.977 5.348 98 3HB ALA 11 HB3 ALA 11 58.282 -11.391 4.779 99 H LYS 12 HN LYS 12 61.706 -8.905 5.244 100 HA LYS 12 HA LYS 12 63.125 -10.404 7.365 101 1HB LYS 12 HB2 LYS 12 65.146 -9.801 6.313 102 2HB LYS 12 HB1 LYS 12 64.026 -10.010 4.970 103 1HG LYS 12 HG2 LYS 12 64.623 -7.938 4.327 104 2HG LYS 12 HG1 LYS 12 63.680 -7.347 5.697 105 1HD LYS 12 HD2 LYS 12 65.677 -6.399 6.294 106 2HD LYS 12 HD1 LYS 12 65.992 -8.002 6.958 107 1HE LYS 12 HE2 LYS 12 66.937 -8.603 4.650 108 2HE LYS 12 HE1 LYS 12 66.906 -6.873 4.308 109 1HZ LYS 12 HZ1 LYS 12 68.218 -6.572 6.391 110 2HZ LYS 12 HZ3 LYS 12 68.397 -8.258 6.466 111 3HZ LYS 12 HZ2 LYS 12 69.041 -7.393 5.151 112 H TYR 13 HN TYR 13 61.290 -8.601 8.397 113 HA TYR 13 HA TYR 13 63.044 -6.432 9.459 114 1HB TYR 13 HB2 TYR 13 60.083 -6.620 8.989 115 2HB TYR 13 HB1 TYR 13 60.686 -5.565 10.262 116 HD1 TYR 13 HD1 TYR 13 63.186 -4.536 9.255 117 HD2 TYR 13 HD2 TYR 13 59.519 -5.283 7.151 118 HE1 TYR 13 HE1 TYR 13 63.811 -2.830 7.565 119 HE2 TYR 13 HE2 TYR 13 60.147 -3.584 5.457 120 HH TYR 13 HH TYR 13 61.578 -1.643 5.244 121 H LYS 14 HN LYS 14 63.350 -6.334 11.671 122 HA LYS 14 HA LYS 14 62.604 -8.718 13.220 123 1HB LYS 14 HB2 LYS 14 64.526 -6.494 13.475 124 2HB LYS 14 HB1 LYS 14 63.815 -7.017 15.002 125 1HG LYS 14 HG2 LYS 14 64.366 -9.420 14.197 126 2HG LYS 14 HG1 LYS 14 65.433 -8.629 13.035 127 1HD LYS 14 HD2 LYS 14 66.748 -7.640 14.759 128 2HD LYS 14 HD1 LYS 14 65.547 -8.018 15.993 129 1HE LYS 14 HE2 LYS 14 65.951 -10.470 15.492 130 2HE LYS 14 HE1 LYS 14 67.317 -9.964 14.497 131 1HZ LYS 14 HZ2 LYS 14 67.754 -8.597 16.758 132 2HZ LYS 14 HZ1 LYS 14 67.046 -10.013 17.374 133 3HZ LYS 14 HZ3 LYS 14 68.440 -10.112 16.413 134 H HIS 15 HN HIS 15 60.330 -7.231 12.470 135 HA HIS 15 HA HIS 15 59.088 -6.801 15.030 136 1HB HIS 15 HB2 HIS 15 60.478 -4.565 13.908 137 2HB HIS 15 HB1 HIS 15 58.747 -4.239 13.815 138 HD1 HIS 15 HD1 HIS 15 61.220 -3.329 15.965 139 HD2 HIS 15 HD2 HIS 15 57.739 -5.521 16.644 140 HE1 HIS 15 HE1 HIS 15 60.726 -3.139 18.441 141 H SER 16 HN SER 16 57.265 -7.891 14.404 142 HA SER 16 HA SER 16 56.098 -8.199 11.937 143 1HB SER 16 HB2 SER 16 53.833 -8.000 13.326 144 2HB SER 16 HB1 SER 16 54.942 -9.349 13.561 145 HG SER 16 HG SER 16 54.240 -7.342 15.258 146 H VAL 17 HN VAL 17 55.583 -5.312 14.022 147 HA VAL 17 HA VAL 17 53.651 -4.056 12.369 148 HB VAL 17 HB VAL 17 55.739 -2.627 14.027 149 1HG1 VAL 17 HG12 VAL 17 53.702 -1.659 12.439 150 2HG1 VAL 17 HG11 VAL 17 52.933 -1.745 14.023 151 3HG1 VAL 17 HG13 VAL 17 54.409 -0.802 13.808 152 1HG2 VAL 17 HG21 VAL 17 53.475 -4.393 14.801 153 2HG2 VAL 17 HG23 VAL 17 54.952 -4.007 15.684 154 3HG2 VAL 17 HG22 VAL 17 53.605 -2.869 15.679 155 H VAL 18 HN VAL 18 57.218 -3.878 12.286 156 HA VAL 18 HA VAL 18 57.516 -1.812 10.404 157 HB VAL 18 HB VAL 18 59.126 -4.380 10.433 158 1HG1 VAL 18 HG11 VAL 18 59.686 -1.534 9.588 159 2HG1 VAL 18 HG13 VAL 18 60.947 -2.749 9.781 160 3HG1 VAL 18 HG12 VAL 18 59.687 -2.971 8.566 161 1HG2 VAL 18 HG22 VAL 18 58.686 -2.823 12.634 162 2HG2 VAL 18 HG21 VAL 18 60.168 -3.731 12.346 163 3HG2 VAL 18 HG23 VAL 18 60.088 -2.024 11.927 164 H LYS 19 HN LYS 19 56.205 -4.993 10.028 165 HA LYS 19 HA LYS 19 56.601 -5.367 7.239 166 1HB LYS 19 HB2 LYS 19 55.664 -7.080 8.831 167 2HB LYS 19 HB1 LYS 19 54.148 -6.178 8.830 168 1HG LYS 19 HG2 LYS 19 54.344 -6.378 6.221 169 2HG LYS 19 HG1 LYS 19 55.431 -7.717 6.590 170 1HD LYS 19 HD2 LYS 19 52.549 -7.418 7.480 171 2HD LYS 19 HD1 LYS 19 53.191 -8.611 6.350 172 1HE LYS 19 HE2 LYS 19 53.424 -9.969 8.143 173 2HE LYS 19 HE1 LYS 19 54.787 -8.945 8.596 174 1HZ LYS 19 HZ2 LYS 19 51.964 -8.498 9.406 175 2HZ LYS 19 HZ1 LYS 19 53.170 -9.175 10.393 176 3HZ LYS 19 HZ3 LYS 19 53.302 -7.564 9.881 177 H LYS 20 HN LYS 20 53.916 -3.791 9.006 178 HA LYS 20 HA LYS 20 52.463 -2.992 6.670 179 1HB LYS 20 HB2 LYS 20 51.291 -2.911 8.742 180 2HB LYS 20 HB1 LYS 20 52.548 -1.933 9.499 181 1HG LYS 20 HG2 LYS 20 51.522 -0.045 8.829 182 2HG LYS 20 HG1 LYS 20 51.597 -0.569 7.146 183 1HD LYS 20 HD2 LYS 20 49.257 -0.154 8.001 184 2HD LYS 20 HD1 LYS 20 49.515 -1.776 7.359 185 1HE LYS 20 HE2 LYS 20 48.901 -2.654 9.335 186 2HE LYS 20 HE1 LYS 20 50.235 -1.809 10.121 187 1HZ LYS 20 HZ3 LYS 20 48.647 0.207 9.975 188 2HZ LYS 20 HZ2 LYS 20 47.433 -0.970 9.810 189 3HZ LYS 20 HZ1 LYS 20 48.414 -0.947 11.196 190 H CYS 21 HN CYS 21 54.816 -1.258 8.704 191 HA CYS 21 HA CYS 21 54.869 1.229 7.465 192 1HB CYS 21 HB2 CYS 21 57.140 -0.451 8.558 193 2HB CYS 21 HB1 CYS 21 57.355 1.217 8.036 194 H CYS 22 HN CYS 22 56.741 -1.644 6.488 195 HA CYS 22 HA CYS 22 57.788 -0.392 4.104 196 1HB CYS 22 HB2 CYS 22 59.035 -2.220 4.956 197 2HB CYS 22 HB1 CYS 22 57.609 -3.247 5.079 198 H TYR 23 HN TYR 23 54.870 -2.155 4.916 199 HA TYR 23 HA TYR 23 54.058 -2.932 2.329 200 1HB TYR 23 HB2 TYR 23 52.803 -2.581 4.907 201 2HB TYR 23 HB1 TYR 23 51.727 -2.065 3.621 202 HD1 TYR 23 HD2 TYR 23 51.631 -3.623 1.506 203 HD2 TYR 23 HD1 TYR 23 52.941 -4.813 5.408 204 HE1 TYR 23 HE2 TYR 23 51.194 -5.995 0.922 205 HE2 TYR 23 HE1 TYR 23 52.511 -7.150 4.828 206 HH TYR 23 HH TYR 23 50.665 -8.251 2.712 207 H ASP 24 HN ASP 24 53.354 0.097 4.092 208 HA ASP 24 HA ASP 24 52.125 1.400 1.833 209 1HB ASP 24 HB2 ASP 24 53.556 2.895 4.018 210 2HB ASP 24 HB1 ASP 24 52.071 3.328 3.176 211 H GLY 25 HN GLY 25 55.413 1.495 3.221 212 1HA GLY 25 HA2 GLY 25 56.677 3.372 1.651 213 2HA GLY 25 HA1 GLY 25 57.454 1.842 2.067 214 H ALA 26 HN ALA 26 56.206 -0.037 0.646 215 HA ALA 26 HA ALA 26 57.050 0.427 -2.068 216 1HB ALA 26 HB3 ALA 26 56.365 -1.804 -0.504 217 2HB ALA 26 HB2 ALA 26 55.170 -1.772 -1.801 218 3HB ALA 26 HB1 ALA 26 56.889 -1.820 -2.188 219 H CYS 27 HN CYS 27 53.898 0.465 -0.434 220 HA CYS 27 HA CYS 27 52.481 0.933 -2.972 221 1HB CYS 27 HB2 CYS 27 51.411 1.158 -0.146 222 2HB CYS 27 HB1 CYS 27 50.474 0.967 -1.628 223 HG CYS 27 HG CYS 27 51.256 -1.469 -1.820 224 H VAL 28 HN VAL 28 54.518 2.828 -1.501 225 HA VAL 28 HA VAL 28 53.746 5.172 -0.522 226 HB VAL 28 HB VAL 28 55.961 5.091 -1.311 227 1HG1 VAL 28 HG13 VAL 28 54.681 3.959 -3.687 228 2HG1 VAL 28 HG12 VAL 28 55.979 5.087 -4.081 229 3HG1 VAL 28 HG11 VAL 28 56.304 3.694 -3.051 230 1HG2 VAL 28 HG22 VAL 28 54.479 7.281 -1.875 231 2HG2 VAL 28 HG21 VAL 28 56.201 7.183 -2.241 232 3HG2 VAL 28 HG23 VAL 28 55.013 6.870 -3.505 233 H ASN 29 HN ASN 29 52.480 6.965 -1.028 234 HA ASN 29 HA ASN 29 50.232 6.728 -2.674 235 1HB ASN 29 HB2 ASN 29 50.642 8.531 -0.955 236 2HB ASN 29 HB1 ASN 29 51.681 9.335 -2.131 237 1HD2 ASN 29 HD22 ASN 29 48.184 10.684 -2.469 238 2HD2 ASN 29 HD21 ASN 29 49.284 10.588 -1.180 239 H ASN 30 HN ASN 30 52.929 8.918 -3.529 240 HA ASN 30 HA ASN 30 52.341 8.329 -6.388 241 1HB ASN 30 HB2 ASN 30 52.329 10.713 -5.667 242 2HB ASN 30 HB1 ASN 30 54.017 10.555 -5.184 243 1HD2 ASN 30 HD22 ASN 30 53.242 10.190 -9.216 244 2HD2 ASN 30 HD21 ASN 30 52.156 9.510 -8.103 245 H ASP 31 HN ASP 31 55.399 9.337 -4.839 246 HA ASP 31 HA ASP 31 56.729 6.834 -5.039 247 1HB ASP 31 HB2 ASP 31 58.107 7.276 -7.089 248 2HB ASP 31 HB1 ASP 31 56.402 6.995 -7.441 249 H GLU 32 HN GLU 32 57.222 10.325 -5.621 250 HA GLU 32 HA GLU 32 59.916 10.370 -4.634 251 1HB GLU 32 HB2 GLU 32 57.850 12.364 -5.332 252 2HB GLU 32 HB1 GLU 32 59.032 12.894 -4.135 253 1HG GLU 32 HG2 GLU 32 60.569 11.574 -6.049 254 2HG GLU 32 HG1 GLU 32 59.376 12.460 -7.000 255 H THR 33 HN THR 33 57.689 12.472 -2.941 256 HA THR 33 HA THR 33 58.792 11.592 -0.386 257 HB THR 33 HB THR 33 56.868 13.297 0.362 258 HG1 THR 33 HG1 THR 33 55.881 13.871 -1.416 259 1HG2 THR 33 HG23 THR 33 59.603 13.412 -0.057 260 2HG2 THR 33 HG22 THR 33 58.997 14.767 -1.009 261 3HG2 THR 33 HG21 THR 33 58.633 14.667 0.713 262 H CYS 34 HN CYS 34 57.945 9.357 -0.634 263 HA CYS 34 HA CYS 34 55.287 8.563 -0.777 264 1HB CYS 34 HB2 CYS 34 56.111 6.902 1.228 265 2HB CYS 34 HB1 CYS 34 56.453 6.639 -0.474 266 H GLU 35 HN GLU 35 56.422 8.192 2.514 267 HA GLU 35 HA GLU 35 53.920 9.058 3.619 268 1HB GLU 35 HB2 GLU 35 56.604 8.846 5.001 269 2HB GLU 35 HB1 GLU 35 55.038 8.883 5.800 270 1HG GLU 35 HG2 GLU 35 55.662 6.805 3.710 271 2HG GLU 35 HG1 GLU 35 56.104 6.566 5.402 272 H GLN 36 HN GLN 36 57.001 10.725 3.078 273 HA GLN 36 HA GLN 36 56.588 13.080 4.552 274 1HB GLN 36 HB2 GLN 36 58.178 12.292 2.261 275 2HB GLN 36 HB1 GLN 36 57.520 13.910 2.008 276 1HG GLN 36 HG2 GLN 36 58.504 14.739 4.001 277 2HG GLN 36 HG1 GLN 36 58.845 13.118 4.603 278 1HE2 GLN 36 HE22 GLN 36 61.978 14.593 3.100 279 2HE2 GLN 36 HE21 GLN 36 60.906 15.126 4.303 280 H ARG 37 HN ARG 37 55.089 11.849 1.687 281 HA ARG 37 HA ARG 37 53.518 14.303 1.218 282 1HB ARG 37 HB2 ARG 37 54.310 12.827 -0.681 283 2HB ARG 37 HB1 ARG 37 53.214 11.577 -0.088 284 1HG ARG 37 HG2 ARG 37 51.631 12.550 -1.375 285 2HG ARG 37 HG1 ARG 37 51.619 13.853 -0.186 286 1HD ARG 37 HD2 ARG 37 52.262 15.215 -1.872 287 2HD ARG 37 HD1 ARG 37 53.839 14.433 -1.755 288 HE ARG 37 HE ARG 37 52.947 12.799 -3.499 289 1HH1 ARG 37 HH21 ARG 37 50.250 14.452 -3.200 290 2HH1 ARG 37 HH22 ARG 37 50.246 15.235 -4.745 291 1HH2 ARG 37 HH12 ARG 37 53.552 14.457 -5.444 292 2HH2 ARG 37 HH11 ARG 37 52.116 15.239 -6.015 293 H ALA 38 HN ALA 38 53.197 11.038 2.545 294 HA ALA 38 HA ALA 38 50.491 10.705 2.949 295 1HB ALA 38 HB2 ALA 38 52.717 10.318 4.976 296 2HB ALA 38 HB1 ALA 38 51.079 9.708 5.193 297 3HB ALA 38 HB3 ALA 38 52.077 9.101 3.872 298 H ALA 39 HN ALA 39 52.557 12.374 5.297 299 HA ALA 39 HA ALA 39 51.037 14.755 5.477 300 1HB ALA 39 HB1 ALA 39 49.989 12.458 7.072 301 2HB ALA 39 HB3 ALA 39 50.051 14.030 7.872 302 3HB ALA 39 HB2 ALA 39 49.123 13.833 6.385 303 H ARG 40 HN ARG 40 52.563 12.284 7.444 304 HA ARG 40 HA ARG 40 54.917 13.748 8.052 305 1HB ARG 40 HB2 ARG 40 52.590 14.436 9.681 306 2HB ARG 40 HB1 ARG 40 53.928 13.822 10.653 307 1HG ARG 40 HG2 ARG 40 55.406 15.504 9.898 308 2HG ARG 40 HG1 ARG 40 54.376 15.912 8.526 309 1HD ARG 40 HD2 ARG 40 52.782 16.999 9.900 310 2HD ARG 40 HD1 ARG 40 53.421 16.259 11.368 311 HE ARG 40 HE ARG 40 55.195 17.866 11.367 312 1HH1 ARG 40 HH12 ARG 40 53.862 17.709 8.238 313 2HH1 ARG 40 HH11 ARG 40 54.161 19.372 7.860 314 1HH2 ARG 40 HH21 ARG 40 55.296 20.165 11.040 315 2HH2 ARG 40 HH22 ARG 40 54.976 20.763 9.446 316 H ILE 41 HN ILE 41 56.164 11.915 8.199 317 HA ILE 41 HA ILE 41 55.195 9.374 8.913 318 HB ILE 41 HB ILE 41 57.447 9.810 7.860 319 1HG1 ILE 41 HG12 ILE 41 58.503 7.915 9.076 320 2HG1 ILE 41 HG11 ILE 41 57.284 8.080 10.340 321 1HG2 ILE 41 HG22 ILE 41 57.921 11.519 9.855 322 2HG2 ILE 41 HG21 ILE 41 58.571 10.067 10.617 323 3HG2 ILE 41 HG23 ILE 41 59.231 10.627 9.080 324 1HD1 ILE 41 HD13 ILE 41 56.464 7.775 7.457 325 2HD1 ILE 41 HD12 ILE 41 56.837 6.358 8.439 326 3HD1 ILE 41 HD11 ILE 41 55.526 7.439 8.913 327 H SER 42 HN SER 42 53.867 9.446 10.658 328 HA SER 42 HA SER 42 55.325 9.668 13.201 329 1HB SER 42 HB2 SER 42 53.799 11.081 14.199 330 2HB SER 42 HB1 SER 42 53.757 11.696 12.544 331 HG SER 42 HG SER 42 51.695 11.047 13.749 332 H LEU 43 HN LEU 43 54.957 7.339 11.956 333 HA LEU 43 HA LEU 43 52.718 6.170 13.487 334 1HB LEU 43 HB2 LEU 43 53.905 5.509 10.828 335 2HB LEU 43 HB1 LEU 43 53.311 4.164 11.803 336 HG LEU 43 HG LEU 43 51.375 6.262 11.927 337 1HD1 LEU 43 HD12 LEU 43 52.341 5.557 9.141 338 2HD1 LEU 43 HD11 LEU 43 50.770 6.285 9.474 339 3HD1 LEU 43 HD13 LEU 43 52.248 7.164 9.862 340 1HD2 LEU 43 HD23 LEU 43 51.607 3.425 11.306 341 2HD2 LEU 43 HD22 LEU 43 50.256 4.301 12.025 342 3HD2 LEU 43 HD21 LEU 43 50.417 4.214 10.272 343 H GLY 44 HN GLY 44 56.038 6.550 13.366 344 1HA GLY 44 HA2 GLY 44 56.846 5.354 15.630 345 2HA GLY 44 HA1 GLY 44 56.646 3.928 14.611 346 HA PRO 45 HA PRO 45 60.896 5.922 13.836 347 1HB PRO 45 HB2 PRO 45 62.385 4.178 15.290 348 2HB PRO 45 HB1 PRO 45 61.695 5.652 15.976 349 1HG PRO 45 HG2 PRO 45 60.852 2.840 16.347 350 2HG PRO 45 HG1 PRO 45 60.734 4.213 17.457 351 1HD PRO 45 HD2 PRO 45 58.647 3.160 15.944 352 2HD PRO 45 HD1 PRO 45 58.645 4.734 16.741 353 H ARG 46 HN ARG 46 60.174 2.444 14.314 354 HA ARG 46 HA ARG 46 61.956 1.469 12.328 355 1HB ARG 46 HB2 ARG 46 60.975 -0.586 12.703 356 2HB ARG 46 HB1 ARG 46 60.372 0.255 14.125 357 1HG ARG 46 HG2 ARG 46 58.868 0.016 11.502 358 2HG ARG 46 HG1 ARG 46 58.573 -0.987 12.921 359 1HD ARG 46 HD2 ARG 46 58.562 1.717 13.783 360 2HD ARG 46 HD1 ARG 46 57.555 1.631 12.341 361 HE ARG 46 HE ARG 46 56.044 0.217 13.524 362 1HH1 ARG 46 HH21 ARG 46 57.326 -1.824 14.884 363 2HH1 ARG 46 HH22 ARG 46 57.465 -1.313 16.533 364 1HH2 ARG 46 HH12 ARG 46 56.921 2.036 15.816 365 2HH2 ARG 46 HH11 ARG 46 57.234 0.874 17.060 366 H CYS 47 HN CYS 47 58.836 2.985 12.118 367 HA CYS 47 HA CYS 47 58.149 2.216 9.421 368 1HB CYS 47 HB2 CYS 47 57.061 3.840 11.496 369 2HB CYS 47 HB1 CYS 47 57.217 4.866 10.068 370 H ILE 48 HN ILE 48 59.603 5.196 10.735 371 HA ILE 48 HA ILE 48 60.006 6.716 8.520 372 HB ILE 48 HB ILE 48 62.478 6.211 10.143 373 1HG1 ILE 48 HG12 ILE 48 60.784 6.051 11.865 374 2HG1 ILE 48 HG11 ILE 48 61.483 7.664 11.954 375 1HG2 ILE 48 HG21 ILE 48 62.383 7.989 8.429 376 2HG2 ILE 48 HG23 ILE 48 61.011 8.715 9.267 377 3HG2 ILE 48 HG22 ILE 48 62.593 8.660 10.046 378 1HD1 ILE 48 HD12 ILE 48 59.591 8.498 10.535 379 2HD1 ILE 48 HD11 ILE 48 58.860 6.898 10.652 380 3HD1 ILE 48 HD13 ILE 48 59.077 7.876 12.103 381 H LYS 49 HN LYS 49 62.546 4.344 9.425 382 HA LYS 49 HA LYS 49 63.624 4.423 6.719 383 1HB LYS 49 HB2 LYS 49 64.570 3.708 9.285 384 2HB LYS 49 HB1 LYS 49 64.685 2.259 8.284 385 1HG LYS 49 HG2 LYS 49 66.074 3.319 6.697 386 2HG LYS 49 HG1 LYS 49 65.636 4.932 7.262 387 1HD LYS 49 HD2 LYS 49 67.233 4.914 8.862 388 2HD LYS 49 HD1 LYS 49 66.805 3.282 9.377 389 1HE LYS 49 HE2 LYS 49 68.474 2.356 8.167 390 2HE LYS 49 HE1 LYS 49 68.074 3.319 6.744 391 1HZ LYS 49 HZ3 LYS 49 69.577 4.322 9.099 392 2HZ LYS 49 HZ2 LYS 49 70.285 3.822 7.638 393 3HZ LYS 49 HZ1 LYS 49 69.260 5.177 7.669 394 H ALA 50 HN ALA 50 61.325 2.364 8.372 395 HA ALA 50 HA ALA 50 61.796 0.073 6.678 396 1HB ALA 50 HB2 ALA 50 59.327 0.844 8.267 397 2HB ALA 50 HB1 ALA 50 59.624 -0.737 7.542 398 3HB ALA 50 HB3 ALA 50 60.651 -0.162 8.855 399 H PHE 51 HN PHE 51 59.082 2.352 6.854 400 HA PHE 51 HA PHE 51 58.090 1.707 4.300 401 1HB PHE 51 HB2 PHE 51 56.491 3.288 4.701 402 2HB PHE 51 HB1 PHE 51 57.094 3.155 6.346 403 HD1 PHE 51 HD2 PHE 51 57.537 5.108 3.168 404 HD2 PHE 51 HD1 PHE 51 58.001 5.028 7.419 405 HE1 PHE 51 HE2 PHE 51 58.193 7.505 3.162 406 HE2 PHE 51 HE1 PHE 51 58.664 7.395 7.406 407 HZ PHE 51 HZ PHE 51 58.751 8.640 5.292 408 H THR 52 HN THR 52 60.161 4.411 5.385 409 HA THR 52 HA THR 52 60.393 5.667 2.879 410 HB THR 52 HB THR 52 62.481 5.408 5.060 411 HG1 THR 52 HG1 THR 52 60.844 7.614 4.417 412 1HG2 THR 52 HG21 THR 52 62.826 6.314 2.434 413 2HG2 THR 52 HG23 THR 52 62.626 7.779 3.395 414 3HG2 THR 52 HG22 THR 52 63.895 6.623 3.802 415 H GLU 53 HN GLU 53 62.252 2.991 4.230 416 HA GLU 53 HA GLU 53 64.115 2.691 2.098 417 1HB GLU 53 HB2 GLU 53 64.547 1.703 4.256 418 2HB GLU 53 HB1 GLU 53 63.076 0.742 4.131 419 1HG GLU 53 HG2 GLU 53 65.080 -0.603 3.575 420 2HG GLU 53 HG1 GLU 53 63.991 -0.456 2.196 421 H CYS 54 HN CYS 54 60.942 1.216 2.693 422 HA CYS 54 HA CYS 54 61.167 -0.529 0.372 423 1HB CYS 54 HB2 CYS 54 59.037 0.099 2.381 424 2HB CYS 54 HB1 CYS 54 58.592 -0.716 0.879 425 H CYS 55 HN CYS 55 60.053 2.679 1.011 426 HA CYS 55 HA CYS 55 58.533 2.842 -1.498 427 1HB CYS 55 HB2 CYS 55 57.520 4.487 -0.326 428 2HB CYS 55 HB1 CYS 55 58.723 4.358 0.947 429 H VAL 56 HN VAL 56 61.740 3.462 -0.301 430 HA VAL 56 HA VAL 56 62.544 5.068 -2.614 431 HB VAL 56 HB VAL 56 64.252 3.599 -0.571 432 1HG1 VAL 56 HG12 VAL 56 64.953 4.752 -3.001 433 2HG1 VAL 56 HG11 VAL 56 65.324 6.010 -1.821 434 3HG1 VAL 56 HG13 VAL 56 66.050 4.411 -1.662 435 1HG2 VAL 56 HG23 VAL 56 62.525 5.692 -0.071 436 2HG2 VAL 56 HG22 VAL 56 63.965 5.324 0.876 437 3HG2 VAL 56 HG21 VAL 56 64.040 6.530 -0.408 438 H VAL 57 HN VAL 57 63.051 1.731 -1.472 439 HA VAL 57 HA VAL 57 64.507 0.899 -3.803 440 HB VAL 57 HB VAL 57 64.016 -1.376 -3.029 441 1HG1 VAL 57 HG11 VAL 57 64.767 0.721 -1.017 442 2HG1 VAL 57 HG13 VAL 57 64.626 -0.958 -0.497 443 3HG1 VAL 57 HG12 VAL 57 65.778 -0.520 -1.758 444 1HG2 VAL 57 HG23 VAL 57 62.067 0.017 -1.171 445 2HG2 VAL 57 HG22 VAL 57 61.663 -1.108 -2.466 446 3HG2 VAL 57 HG21 VAL 57 62.525 -1.681 -1.039 447 H ALA 58 HN ALA 58 61.144 0.825 -2.754 448 HA ALA 58 HA ALA 58 60.065 -0.343 -5.134 449 1HB ALA 58 HB1 ALA 58 58.868 1.590 -3.124 450 2HB ALA 58 HB3 ALA 58 57.940 0.774 -4.381 451 3HB ALA 58 HB2 ALA 58 58.708 -0.166 -3.101 452 H SER 59 HN SER 59 61.220 2.754 -4.181 453 HA SER 59 HA SER 59 60.011 4.448 -6.096 454 1HB SER 59 HB2 SER 59 61.827 4.686 -4.077 455 2HB SER 59 HB1 SER 59 62.792 5.070 -5.495 456 HG SER 59 HG SER 59 61.821 6.930 -5.457 457 H GLN 60 HN GLN 60 63.358 3.279 -6.169 458 HA GLN 60 HA GLN 60 63.830 3.823 -8.915 459 1HB GLN 60 HB2 GLN 60 65.175 2.509 -6.712 460 2HB GLN 60 HB1 GLN 60 65.411 1.616 -8.217 461 1HG GLN 60 HG2 GLN 60 66.476 3.409 -9.263 462 2HG GLN 60 HG1 GLN 60 65.675 4.600 -8.234 463 1HE2 GLN 60 HE22 GLN 60 67.965 3.955 -5.455 464 2HE2 GLN 60 HE21 GLN 60 66.302 4.159 -5.725 465 H LEU 61 HN LEU 61 62.307 1.141 -7.311 466 HA LEU 61 HA LEU 61 62.511 -0.733 -9.490 467 1HB LEU 61 HB2 LEU 61 60.825 -0.478 -7.012 468 2HB LEU 61 HB1 LEU 61 60.491 -1.749 -8.179 469 HG LEU 61 HG LEU 61 63.013 -1.293 -6.618 470 1HD1 LEU 61 HD12 LEU 61 60.699 -2.939 -6.286 471 2HD1 LEU 61 HD11 LEU 61 62.079 -3.986 -6.615 472 3HD1 LEU 61 HD13 LEU 61 62.133 -2.856 -5.262 473 1HD2 LEU 61 HD22 LEU 61 62.516 -2.825 -9.139 474 2HD2 LEU 61 HD21 LEU 61 63.961 -1.950 -8.632 475 3HD2 LEU 61 HD23 LEU 61 63.599 -3.531 -7.939 476 H ARG 62 HN ARG 62 60.271 1.803 -8.532 477 HA ARG 62 HA ARG 62 58.587 1.168 -10.879 478 1HB ARG 62 HB2 ARG 62 56.851 2.480 -9.881 479 2HB ARG 62 HB1 ARG 62 57.531 1.485 -8.594 480 1HG ARG 62 HG2 ARG 62 58.752 3.303 -7.687 481 2HG ARG 62 HG1 ARG 62 58.521 4.289 -9.127 482 1HD ARG 62 HD2 ARG 62 56.964 5.166 -7.575 483 2HD ARG 62 HD1 ARG 62 55.997 4.122 -8.614 484 HE ARG 62 HE ARG 62 56.961 3.280 -5.903 485 1HH1 ARG 62 HH21 ARG 62 56.000 0.911 -6.905 486 2HH1 ARG 62 HH22 ARG 62 54.272 0.975 -6.796 487 1HH2 ARG 62 HH12 ARG 62 54.157 4.423 -6.451 488 2HH2 ARG 62 HH11 ARG 62 53.229 2.964 -6.540 489 H ALA 63 HN ALA 63 61.230 3.079 -10.226 490 HA ALA 63 HA ALA 63 60.307 5.501 -11.596 491 1HB ALA 63 HB1 ALA 63 62.779 4.595 -10.239 492 2HB ALA 63 HB3 ALA 63 63.010 5.745 -11.554 493 3HB ALA 63 HB2 ALA 63 61.977 6.163 -10.188 494 H ASN 64 HN ASN 64 63.072 3.353 -12.364 495 HA ASN 64 HA ASN 64 62.907 4.122 -15.177 496 1HB ASN 64 HB2 ASN 64 65.052 3.591 -13.914 497 2HB ASN 64 HB1 ASN 64 64.575 1.894 -13.987 498 1HD2 ASN 64 HD22 ASN 64 66.664 2.409 -16.983 499 2HD2 ASN 64 HD21 ASN 64 66.884 2.324 -15.302 500 H ILE 65 HN ILE 65 60.894 2.213 -13.533 501 HA ILE 65 HA ILE 65 60.626 0.298 -15.815 502 HB ILE 65 HB ILE 65 59.591 -0.471 -13.125 503 1HG1 ILE 65 HG12 ILE 65 61.845 0.409 -12.624 504 2HG1 ILE 65 HG11 ILE 65 61.806 -1.347 -12.468 505 1HG2 ILE 65 HG23 ILE 65 60.418 -1.705 -15.671 506 2HG2 ILE 65 HG22 ILE 65 60.932 -2.592 -14.235 507 3HG2 ILE 65 HG21 ILE 65 59.222 -2.248 -14.493 508 1HD1 ILE 65 HD12 ILE 65 62.428 -0.569 -15.194 509 2HD1 ILE 65 HD11 ILE 65 63.566 0.157 -14.059 510 3HD1 ILE 65 HD13 ILE 65 63.349 -1.593 -14.092 511 H SER 66 HN SER 66 58.239 -0.694 -15.641 512 HA SER 66 HA SER 66 56.126 0.865 -14.554 513 1HB SER 66 HB2 SER 66 57.362 2.173 -16.700 514 2HB SER 66 HB1 SER 66 55.914 1.452 -17.395 515 HG SER 66 HG SER 66 54.686 2.660 -16.122 516 H HIS 67 HN HIS 67 56.693 -1.876 -14.910 517 HA HIS 67 HA HIS 67 54.242 -2.713 -16.304 518 1HB HIS 67 HB2 HIS 67 56.379 -2.678 -17.886 519 2HB HIS 67 HB1 HIS 67 56.718 -4.206 -17.075 520 HD1 HIS 67 HD1 HIS 67 53.514 -4.784 -16.754 521 HD2 HIS 67 HD2 HIS 67 55.621 -4.088 -20.283 522 HE1 HIS 67 HE1 HIS 67 52.145 -5.812 -18.620 523 H LYS 68 HN LYS 68 55.571 -5.533 -16.290 524 HA LYS 68 HA LYS 68 54.496 -6.491 -13.905 525 1HB LYS 68 HB2 LYS 68 55.606 -7.787 -15.878 526 2HB LYS 68 HB1 LYS 68 57.094 -7.613 -14.945 527 1HG LYS 68 HG2 LYS 68 56.068 -9.725 -14.342 528 2HG LYS 68 HG1 LYS 68 55.901 -8.620 -12.976 529 1HD LYS 68 HD2 LYS 68 53.619 -8.325 -13.315 530 2HD LYS 68 HD1 LYS 68 53.719 -8.721 -15.031 531 1HE LYS 68 HE2 LYS 68 54.387 -11.092 -14.247 532 2HE LYS 68 HE1 LYS 68 53.772 -10.597 -12.669 533 1HZ LYS 68 HZ2 LYS 68 52.000 -9.925 -14.818 534 2HZ LYS 68 HZ1 LYS 68 52.284 -11.596 -14.712 535 3HZ LYS 68 HZ3 LYS 68 51.681 -10.752 -13.370 536 H ASP 69 HN ASP 69 57.823 -5.359 -14.435 537 HA ASP 69 HA ASP 69 58.793 -5.738 -11.820 538 1HB ASP 69 HB2 ASP 69 59.560 -4.066 -14.165 539 2HB ASP 69 HB1 ASP 69 60.225 -3.602 -12.599 540 H MET 70 HN MET 70 57.681 -2.660 -13.306 541 HA MET 70 HA MET 70 57.465 -1.360 -10.718 542 1HB MET 70 HB2 MET 70 57.893 0.058 -12.592 543 2HB MET 70 HB1 MET 70 56.536 -0.611 -13.495 544 1HG MET 70 HG2 MET 70 54.946 0.510 -12.189 545 2HG MET 70 HG1 MET 70 56.064 0.727 -10.842 546 1HE MET 70 HE3 MET 70 54.746 2.804 -10.915 547 2HE MET 70 HE2 MET 70 55.375 4.292 -11.618 548 3HE MET 70 HE1 MET 70 54.230 3.309 -12.529 549 H GLN 71 HN GLN 71 54.875 -1.919 -13.127 550 HA GLN 71 HA GLN 71 52.643 -1.526 -11.587 551 1HB GLN 71 HB2 GLN 71 52.841 -2.452 -14.014 552 2HB GLN 71 HB1 GLN 71 52.793 -4.039 -13.244 553 1HG GLN 71 HG2 GLN 71 50.716 -2.949 -11.970 554 2HG GLN 71 HG1 GLN 71 50.661 -1.954 -13.426 555 1HE2 GLN 71 HE22 GLN 71 50.351 -6.007 -14.084 556 2HE2 GLN 71 HE21 GLN 71 51.508 -5.434 -12.982 557 H LEU 72 HN LEU 72 54.798 -4.341 -11.397 558 HA LEU 72 HA LEU 72 53.194 -5.307 -9.055 559 1HB LEU 72 HB2 LEU 72 54.327 -6.655 -11.339 560 2HB LEU 72 HB1 LEU 72 55.037 -7.298 -9.859 561 HG LEU 72 HG LEU 72 52.774 -7.650 -8.955 562 1HD1 LEU 72 HD12 LEU 72 51.921 -5.685 -10.425 563 2HD1 LEU 72 HD11 LEU 72 51.717 -6.914 -11.673 564 3HD1 LEU 72 HD13 LEU 72 50.840 -7.050 -10.150 565 1HD2 LEU 72 HD23 LEU 72 53.909 -8.970 -11.261 566 2HD2 LEU 72 HD22 LEU 72 52.978 -9.674 -9.939 567 3HD2 LEU 72 HD21 LEU 72 52.149 -9.024 -11.353 568 H GLY 73 HN GLY 73 56.536 -5.920 -10.046 569 1HA GLY 73 HA2 GLY 73 57.752 -6.066 -7.594 570 2HA GLY 73 HA1 GLY 73 58.563 -5.381 -9.003 571 H ARG 74 HN ARG 74 56.544 -3.214 -9.199 572 HA ARG 74 HA ARG 74 56.268 -1.014 -8.409 573 1HB ARG 74 HB2 ARG 74 56.993 -2.279 -5.745 574 2HB ARG 74 HB1 ARG 74 56.286 -0.678 -5.964 575 1HG ARG 74 HG2 ARG 74 54.585 -2.323 -7.413 576 2HG ARG 74 HG1 ARG 74 54.987 -3.299 -5.998 577 1HD ARG 74 HD2 ARG 74 53.696 -2.017 -4.672 578 2HD ARG 74 HD1 ARG 74 54.506 -0.551 -5.224 579 HE ARG 74 HE ARG 74 52.893 -0.547 -7.152 580 1HH1 ARG 74 HH12 ARG 74 52.273 -3.244 -5.253 581 2HH1 ARG 74 HH11 ARG 74 50.570 -2.967 -5.105 582 1HH2 ARG 74 HH21 ARG 74 50.684 0.169 -6.581 583 2HH2 ARG 74 HH22 ARG 74 49.670 -1.034 -5.856 No H/Q in entry = 583 Start of MODEL 19 1 H MET 1 HN MET 1 56.453 -9.924 -10.599 2 HA MET 1 HA MET 1 56.227 -10.546 -7.722 3 1HB MET 1 HB2 MET 1 58.214 -8.719 -9.072 4 2HB MET 1 HB1 MET 1 58.338 -9.469 -7.480 5 1HG MET 1 HG2 MET 1 59.450 -11.157 -8.483 6 2HG MET 1 HG1 MET 1 57.910 -11.616 -9.211 7 1HE MET 1 HE3 MET 1 61.030 -11.765 -9.845 8 2HE MET 1 HE2 MET 1 61.506 -11.038 -11.378 9 3HE MET 1 HE1 MET 1 61.504 -10.062 -9.912 10 H LEU 2 HN LEU 2 54.035 -9.354 -7.776 11 HA LEU 2 HA LEU 2 54.084 -6.460 -7.966 12 1HB LEU 2 HB2 LEU 2 52.035 -8.013 -8.177 13 2HB LEU 2 HB1 LEU 2 52.066 -8.086 -6.416 14 HG LEU 2 HG LEU 2 52.176 -5.472 -6.575 15 1HD1 LEU 2 HD13 LEU 2 51.643 -6.333 -9.345 16 2HD1 LEU 2 HD12 LEU 2 50.523 -5.111 -8.739 17 3HD1 LEU 2 HD11 LEU 2 52.258 -4.793 -8.744 18 1HD2 LEU 2 HD22 LEU 2 49.745 -7.198 -7.096 19 2HD2 LEU 2 HD21 LEU 2 50.285 -6.518 -5.561 20 3HD2 LEU 2 HD23 LEU 2 49.617 -5.463 -6.806 21 H GLN 3 HN GLN 3 55.699 -8.343 -5.913 22 HA GLN 3 HA GLN 3 56.220 -6.377 -3.955 23 1HB GLN 3 HB2 GLN 3 54.970 -7.156 -2.034 24 2HB GLN 3 HB1 GLN 3 53.819 -6.879 -3.339 25 1HG GLN 3 HG2 GLN 3 54.536 -9.487 -3.788 26 2HG GLN 3 HG1 GLN 3 54.585 -9.400 -2.027 27 1HE2 GLN 3 HE22 GLN 3 51.037 -9.830 -3.669 28 2HE2 GLN 3 HE21 GLN 3 52.514 -10.342 -4.330 29 H LYS 4 HN LYS 4 57.995 -7.791 -5.187 30 HA LYS 4 HA LYS 4 58.582 -10.252 -3.638 31 1HB LYS 4 HB2 LYS 4 58.668 -10.589 -6.007 32 2HB LYS 4 HB1 LYS 4 59.608 -9.119 -6.237 33 1HG LYS 4 HG2 LYS 4 61.128 -10.947 -6.439 34 2HG LYS 4 HG1 LYS 4 61.430 -10.174 -4.894 35 1HD LYS 4 HD2 LYS 4 59.446 -12.398 -4.948 36 2HD LYS 4 HD1 LYS 4 61.151 -12.825 -5.096 37 1HE LYS 4 HE2 LYS 4 61.678 -11.715 -3.015 38 2HE LYS 4 HE1 LYS 4 60.050 -11.053 -2.910 39 1HZ LYS 4 HZ2 LYS 4 60.291 -13.947 -3.150 40 2HZ LYS 4 HZ1 LYS 4 60.754 -13.259 -1.667 41 3HZ LYS 4 HZ3 LYS 4 59.182 -13.020 -2.257 42 H LYS 5 HN LYS 5 60.562 -7.604 -5.024 43 HA LYS 5 HA LYS 5 62.645 -7.956 -3.095 44 1HB LYS 5 HB2 LYS 5 62.025 -6.090 -5.273 45 2HB LYS 5 HB1 LYS 5 62.899 -5.337 -3.939 46 1HG LYS 5 HG2 LYS 5 64.812 -6.380 -4.512 47 2HG LYS 5 HG1 LYS 5 64.006 -7.949 -4.547 48 1HD LYS 5 HD2 LYS 5 63.458 -7.765 -6.813 49 2HD LYS 5 HD1 LYS 5 63.580 -6.005 -6.800 50 1HE LYS 5 HE2 LYS 5 66.128 -6.797 -6.070 51 2HE LYS 5 HE1 LYS 5 65.667 -8.014 -7.260 52 1HZ LYS 5 HZ3 LYS 5 64.939 -6.104 -8.693 53 2HZ LYS 5 HZ2 LYS 5 65.728 -5.072 -7.596 54 3HZ LYS 5 HZ1 LYS 5 66.613 -6.241 -8.455 55 H ILE 6 HN ILE 6 59.575 -6.491 -2.853 56 HA ILE 6 HA ILE 6 60.440 -4.802 -0.559 57 HB ILE 6 HB ILE 6 57.671 -4.970 -1.760 58 1HG1 ILE 6 HG12 ILE 6 59.604 -4.463 -3.401 59 2HG1 ILE 6 HG11 ILE 6 58.262 -3.314 -3.345 60 1HG2 ILE 6 HG22 ILE 6 58.940 -3.489 0.373 61 2HG2 ILE 6 HG21 ILE 6 58.356 -2.381 -0.866 62 3HG2 ILE 6 HG23 ILE 6 57.242 -3.511 -0.099 63 1HD1 ILE 6 HD12 ILE 6 59.572 -1.902 -1.775 64 2HD1 ILE 6 HD11 ILE 6 60.919 -3.033 -1.906 65 3HD1 ILE 6 HD13 ILE 6 60.401 -2.112 -3.319 66 H GLU 7 HN GLU 7 58.383 -7.603 -1.329 67 HA GLU 7 HA GLU 7 57.309 -7.766 1.370 68 1HB GLU 7 HB2 GLU 7 56.276 -9.777 0.688 69 2HB GLU 7 HB1 GLU 7 56.330 -8.822 -0.790 70 1HG GLU 7 HG2 GLU 7 57.187 -10.838 -1.569 71 2HG GLU 7 HG1 GLU 7 58.679 -10.029 -1.086 72 H GLU 8 HN GLU 8 60.280 -8.526 -0.117 73 HA GLU 8 HA GLU 8 61.049 -10.664 1.707 74 1HB GLU 8 HB2 GLU 8 63.230 -10.479 0.651 75 2HB GLU 8 HB1 GLU 8 61.999 -10.360 -0.608 76 1HG GLU 8 HG2 GLU 8 62.158 -7.904 -0.568 77 2HG GLU 8 HG1 GLU 8 63.353 -8.004 0.736 78 H ILE 9 HN ILE 9 61.606 -7.173 1.427 79 HA ILE 9 HA ILE 9 63.326 -7.072 3.780 80 HB ILE 9 HB ILE 9 63.558 -5.398 1.987 81 1HG1 ILE 9 HG12 ILE 9 63.828 -3.513 3.388 82 2HG1 ILE 9 HG11 ILE 9 62.434 -3.939 4.378 83 1HG2 ILE 9 HG22 ILE 9 61.104 -5.405 1.413 84 2HG2 ILE 9 HG21 ILE 9 60.831 -4.411 2.843 85 3HG2 ILE 9 HG23 ILE 9 61.823 -3.800 1.520 86 1HD1 ILE 9 HD12 ILE 9 64.727 -5.860 4.275 87 2HD1 ILE 9 HD11 ILE 9 64.911 -4.393 5.238 88 3HD1 ILE 9 HD13 ILE 9 63.605 -5.524 5.594 89 H ALA 10 HN ALA 10 59.935 -6.528 3.046 90 HA ALA 10 HA ALA 10 59.216 -5.458 5.627 91 1HB ALA 10 HB2 ALA 10 57.892 -6.190 3.166 92 2HB ALA 10 HB1 ALA 10 57.000 -6.831 4.545 93 3HB ALA 10 HB3 ALA 10 57.335 -5.103 4.438 94 H ALA 11 HN ALA 11 59.073 -8.683 4.154 95 HA ALA 11 HA ALA 11 58.077 -9.979 6.539 96 1HB ALA 11 HB2 ALA 11 59.517 -11.123 4.128 97 2HB ALA 11 HB1 ALA 11 58.657 -12.066 5.346 98 3HB ALA 11 HB3 ALA 11 57.769 -10.957 4.300 99 H LYS 12 HN LYS 12 61.271 -9.170 5.284 100 HA LYS 12 HA LYS 12 62.530 -10.875 7.349 101 1HB LYS 12 HB2 LYS 12 64.588 -10.487 6.288 102 2HB LYS 12 HB1 LYS 12 63.448 -10.489 4.946 103 1HG LYS 12 HG2 LYS 12 64.271 -8.471 4.395 104 2HG LYS 12 HG1 LYS 12 63.456 -7.840 5.828 105 1HD LYS 12 HD2 LYS 12 65.624 -7.179 6.295 106 2HD LYS 12 HD1 LYS 12 65.643 -8.781 7.033 107 1HE LYS 12 HE2 LYS 12 66.597 -9.731 4.971 108 2HE LYS 12 HE1 LYS 12 66.564 -8.138 4.215 109 1HZ LYS 12 HZ2 LYS 12 67.897 -7.511 6.367 110 2HZ LYS 12 HZ1 LYS 12 68.309 -9.159 6.330 111 3HZ LYS 12 HZ3 LYS 12 68.681 -8.163 5.008 112 H TYR 13 HN TYR 13 60.891 -8.921 8.432 113 HA TYR 13 HA TYR 13 62.841 -6.936 9.515 114 1HB TYR 13 HB2 TYR 13 59.892 -6.872 9.044 115 2HB TYR 13 HB1 TYR 13 60.526 -5.980 10.424 116 HD1 TYR 13 HD1 TYR 13 63.187 -5.121 9.420 117 HD2 TYR 13 HD2 TYR 13 59.367 -5.213 7.458 118 HE1 TYR 13 HE1 TYR 13 63.928 -3.316 7.895 119 HE2 TYR 13 HE2 TYR 13 60.110 -3.407 5.934 120 HH TYR 13 HH TYR 13 63.436 -2.184 6.012 121 H LYS 14 HN LYS 14 63.248 -6.957 11.707 122 HA LYS 14 HA LYS 14 62.248 -9.284 13.215 123 1HB LYS 14 HB2 LYS 14 64.267 -7.124 13.891 124 2HB LYS 14 HB1 LYS 14 63.845 -8.450 14.975 125 1HG LYS 14 HG2 LYS 14 64.500 -9.320 12.243 126 2HG LYS 14 HG1 LYS 14 65.844 -8.547 13.084 127 1HD LYS 14 HD2 LYS 14 65.205 -10.075 15.078 128 2HD LYS 14 HD1 LYS 14 64.291 -11.002 13.889 129 1HE LYS 14 HE2 LYS 14 66.297 -11.353 12.551 130 2HE LYS 14 HE1 LYS 14 67.232 -10.315 13.629 131 1HZ LYS 14 HZ2 LYS 14 66.004 -12.206 15.230 132 2HZ LYS 14 HZ1 LYS 14 66.621 -13.061 13.898 133 3HZ LYS 14 HZ3 LYS 14 67.654 -12.103 14.841 134 H HIS 15 HN HIS 15 60.289 -7.278 12.573 135 HA HIS 15 HA HIS 15 59.261 -6.770 15.256 136 1HB HIS 15 HB2 HIS 15 60.778 -4.726 13.953 137 2HB HIS 15 HB1 HIS 15 59.087 -4.232 13.933 138 HD1 HIS 15 HD1 HIS 15 61.707 -5.474 16.409 139 HD2 HIS 15 HD2 HIS 15 58.163 -3.279 16.372 140 HE1 HIS 15 HE1 HIS 15 61.376 -4.607 18.765 141 H SER 16 HN SER 16 57.316 -7.745 14.776 142 HA SER 16 HA SER 16 55.940 -8.001 12.427 143 1HB SER 16 HB2 SER 16 54.893 -8.966 14.280 144 2HB SER 16 HB1 SER 16 54.944 -7.471 15.211 145 HG SER 16 HG SER 16 53.065 -8.388 13.470 146 H VAL 17 HN VAL 17 56.148 -4.930 14.240 147 HA VAL 17 HA VAL 17 54.088 -3.610 12.715 148 HB VAL 17 HB VAL 17 56.402 -2.342 14.204 149 1HG1 VAL 17 HG11 VAL 17 54.331 -1.255 12.635 150 2HG1 VAL 17 HG13 VAL 17 53.835 -1.003 14.308 151 3HG1 VAL 17 HG12 VAL 17 55.387 -0.383 13.747 152 1HG2 VAL 17 HG22 VAL 17 54.881 -4.086 15.436 153 2HG2 VAL 17 HG21 VAL 17 55.173 -2.521 16.196 154 3HG2 VAL 17 HG23 VAL 17 53.657 -2.820 15.346 155 H VAL 18 HN VAL 18 57.645 -3.736 12.395 156 HA VAL 18 HA VAL 18 58.003 -1.793 10.408 157 HB VAL 18 HB VAL 18 59.369 -4.458 10.133 158 1HG1 VAL 18 HG12 VAL 18 59.923 -2.592 8.610 159 2HG1 VAL 18 HG11 VAL 18 60.340 -1.600 10.008 160 3HG1 VAL 18 HG13 VAL 18 61.291 -3.034 9.631 161 1HG2 VAL 18 HG22 VAL 18 59.216 -2.950 12.578 162 2HG2 VAL 18 HG21 VAL 18 60.123 -4.423 12.237 163 3HG2 VAL 18 HG23 VAL 18 60.852 -2.851 11.936 164 H LYS 19 HN LYS 19 56.384 -4.857 10.221 165 HA LYS 19 HA LYS 19 56.509 -5.351 7.434 166 1HB LYS 19 HB2 LYS 19 55.555 -6.979 8.994 167 2HB LYS 19 HB1 LYS 19 54.233 -5.873 9.371 168 1HG LYS 19 HG2 LYS 19 53.097 -6.418 7.490 169 2HG LYS 19 HG1 LYS 19 54.552 -6.344 6.493 170 1HD LYS 19 HD2 LYS 19 54.572 -8.613 8.343 171 2HD LYS 19 HD1 LYS 19 53.213 -8.663 7.220 172 1HE LYS 19 HE2 LYS 19 55.027 -8.057 5.422 173 2HE LYS 19 HE1 LYS 19 56.157 -8.683 6.623 174 1HZ LYS 19 HZ2 LYS 19 53.785 -10.152 5.606 175 2HZ LYS 19 HZ1 LYS 19 55.377 -10.391 5.061 176 3HZ LYS 19 HZ3 LYS 19 54.969 -10.752 6.667 177 H LYS 20 HN LYS 20 53.757 -3.819 9.157 178 HA LYS 20 HA LYS 20 52.422 -2.860 6.879 179 1HB LYS 20 HB2 LYS 20 51.309 -2.719 8.988 180 2HB LYS 20 HB1 LYS 20 52.600 -1.738 9.678 181 1HG LYS 20 HG2 LYS 20 51.547 0.130 9.000 182 2HG LYS 20 HG1 LYS 20 51.662 -0.411 7.324 183 1HD LYS 20 HD2 LYS 20 49.302 0.014 8.116 184 2HD LYS 20 HD1 LYS 20 49.576 -1.614 7.497 185 1HE LYS 20 HE2 LYS 20 48.935 -2.484 9.468 186 2HE LYS 20 HE1 LYS 20 50.222 -1.597 10.285 187 1HZ LYS 20 HZ1 LYS 20 47.779 -0.169 9.508 188 2HZ LYS 20 HZ3 LYS 20 47.741 -1.164 10.880 189 3HZ LYS 20 HZ2 LYS 20 48.839 0.129 10.801 190 H CYS 21 HN CYS 21 54.978 -1.273 8.788 191 HA CYS 21 HA CYS 21 55.046 1.223 7.531 192 1HB CYS 21 HB2 CYS 21 57.329 -0.488 8.551 193 2HB CYS 21 HB1 CYS 21 57.516 1.195 8.059 194 H CYS 22 HN CYS 22 56.898 -1.676 6.530 195 HA CYS 22 HA CYS 22 57.833 -0.419 4.099 196 1HB CYS 22 HB2 CYS 22 59.164 -2.208 4.901 197 2HB CYS 22 HB1 CYS 22 57.772 -3.270 5.099 198 H TYR 23 HN TYR 23 54.911 -1.990 5.056 199 HA TYR 23 HA TYR 23 54.044 -2.917 2.494 200 1HB TYR 23 HB2 TYR 23 52.876 -2.514 5.124 201 2HB TYR 23 HB1 TYR 23 51.743 -2.128 3.844 202 HD1 TYR 23 HD2 TYR 23 51.525 -3.802 1.886 203 HD2 TYR 23 HD1 TYR 23 53.285 -4.708 5.687 204 HE1 TYR 23 HE2 TYR 23 51.192 -6.224 1.456 205 HE2 TYR 23 HE1 TYR 23 52.958 -7.093 5.258 206 HH TYR 23 HH TYR 23 52.721 -8.615 3.228 207 H ASP 24 HN ASP 24 53.442 0.132 4.248 208 HA ASP 24 HA ASP 24 52.066 1.367 2.019 209 1HB ASP 24 HB2 ASP 24 53.471 3.014 4.082 210 2HB ASP 24 HB1 ASP 24 51.870 3.231 3.383 211 H GLY 25 HN GLY 25 55.363 1.653 3.373 212 1HA GLY 25 HA2 GLY 25 56.505 3.527 1.698 213 2HA GLY 25 HA1 GLY 25 57.374 2.069 2.192 214 H ALA 26 HN ALA 26 56.237 0.038 0.901 215 HA ALA 26 HA ALA 26 57.008 0.404 -1.852 216 1HB ALA 26 HB1 ALA 26 56.547 -1.777 -0.189 217 2HB ALA 26 HB3 ALA 26 55.231 -1.869 -1.359 218 3HB ALA 26 HB2 ALA 26 56.904 -1.857 -1.915 219 H CYS 27 HN CYS 27 53.927 0.472 -0.131 220 HA CYS 27 HA CYS 27 52.405 0.680 -2.646 221 1HB CYS 27 HB2 CYS 27 51.662 0.672 0.280 222 2HB CYS 27 HB1 CYS 27 50.484 1.092 -0.964 223 HG CYS 27 HG CYS 27 51.028 -1.667 -0.265 224 H VAL 28 HN VAL 28 54.408 2.757 -1.377 225 HA VAL 28 HA VAL 28 53.555 5.136 -0.536 226 HB VAL 28 HB VAL 28 55.740 5.149 -1.382 227 1HG1 VAL 28 HG12 VAL 28 55.304 3.234 -2.949 228 2HG1 VAL 28 HG11 VAL 28 54.690 4.401 -4.120 229 3HG1 VAL 28 HG13 VAL 28 56.376 4.470 -3.607 230 1HG2 VAL 28 HG23 VAL 28 54.433 7.271 -1.943 231 2HG2 VAL 28 HG22 VAL 28 55.881 7.001 -2.910 232 3HG2 VAL 28 HG21 VAL 28 54.291 6.646 -3.585 233 H ASN 29 HN ASN 29 51.979 6.624 -0.985 234 HA ASN 29 HA ASN 29 49.756 6.218 -2.532 235 1HB ASN 29 HB2 ASN 29 50.110 8.173 -1.013 236 2HB ASN 29 HB1 ASN 29 51.103 8.922 -2.265 237 1HD2 ASN 29 HD22 ASN 29 47.913 10.400 -3.082 238 2HD2 ASN 29 HD21 ASN 29 49.296 10.646 -2.128 239 H ASN 30 HN ASN 30 52.127 8.569 -3.789 240 HA ASN 30 HA ASN 30 52.425 7.163 -6.314 241 1HB ASN 30 HB2 ASN 30 50.233 7.961 -6.823 242 2HB ASN 30 HB1 ASN 30 50.566 9.542 -6.116 243 1HD2 ASN 30 HD22 ASN 30 52.266 10.775 -8.996 244 2HD2 ASN 30 HD21 ASN 30 51.989 11.014 -7.339 245 H ASP 31 HN ASP 31 52.303 10.605 -5.326 246 HA ASP 31 HA ASP 31 54.616 11.404 -6.720 247 1HB ASP 31 HB2 ASP 31 53.864 12.537 -4.022 248 2HB ASP 31 HB1 ASP 31 54.579 13.376 -5.400 249 H GLU 32 HN GLU 32 56.780 11.277 -6.291 250 HA GLU 32 HA GLU 32 58.063 9.291 -4.999 251 1HB GLU 32 HB2 GLU 32 58.916 12.196 -4.993 252 2HB GLU 32 HB1 GLU 32 59.977 10.857 -4.555 253 1HG GLU 32 HG2 GLU 32 59.824 9.900 -6.747 254 2HG GLU 32 HG1 GLU 32 58.507 10.983 -7.196 255 H THR 33 HN THR 33 57.801 12.402 -3.213 256 HA THR 33 HA THR 33 58.464 11.411 -0.685 257 HB THR 33 HB THR 33 56.771 13.290 0.094 258 HG1 THR 33 HG1 THR 33 55.955 13.182 -2.215 259 1HG2 THR 33 HG21 THR 33 59.270 13.411 0.047 260 2HG2 THR 33 HG23 THR 33 59.173 13.961 -1.625 261 3HG2 THR 33 HG22 THR 33 58.493 14.948 -0.332 262 H CYS 34 HN CYS 34 57.535 9.326 -0.455 263 HA CYS 34 HA CYS 34 54.727 8.783 -0.615 264 1HB CYS 34 HB2 CYS 34 55.439 6.896 1.114 265 2HB CYS 34 HB1 CYS 34 55.887 6.792 -0.583 266 H GLU 35 HN GLU 35 56.215 8.211 2.508 267 HA GLU 35 HA GLU 35 53.967 9.150 3.972 268 1HB GLU 35 HB2 GLU 35 56.860 8.797 4.762 269 2HB GLU 35 HB1 GLU 35 55.604 9.200 5.925 270 1HG GLU 35 HG2 GLU 35 55.129 6.894 4.088 271 2HG GLU 35 HG1 GLU 35 56.243 6.666 5.439 272 H GLN 36 HN GLN 36 56.890 10.763 2.831 273 HA GLN 36 HA GLN 36 56.686 13.208 4.238 274 1HB GLN 36 HB2 GLN 36 57.832 12.328 1.645 275 2HB GLN 36 HB1 GLN 36 57.427 14.043 1.735 276 1HG GLN 36 HG2 GLN 36 58.710 14.170 3.889 277 2HG GLN 36 HG1 GLN 36 59.219 12.500 3.632 278 1HE2 GLN 36 HE22 GLN 36 60.637 15.348 1.009 279 2HE2 GLN 36 HE21 GLN 36 59.105 15.564 1.707 280 H ARG 37 HN ARG 37 55.038 11.973 1.368 281 HA ARG 37 HA ARG 37 53.425 14.344 0.938 282 1HB ARG 37 HB2 ARG 37 53.631 12.834 -0.918 283 2HB ARG 37 HB1 ARG 37 53.151 11.453 0.067 284 1HG ARG 37 HG2 ARG 37 51.310 12.272 -1.412 285 2HG ARG 37 HG1 ARG 37 50.896 12.350 0.301 286 1HD ARG 37 HD2 ARG 37 51.388 14.723 0.372 287 2HD ARG 37 HD1 ARG 37 52.000 14.687 -1.281 288 HE ARG 37 HE ARG 37 49.133 14.366 -0.521 289 1HH1 ARG 37 HH12 ARG 37 50.492 13.192 -3.130 290 2HH1 ARG 37 HH11 ARG 37 49.942 14.368 -4.276 291 1HH2 ARG 37 HH21 ARG 37 48.911 16.630 -1.858 292 2HH2 ARG 37 HH22 ARG 37 49.047 16.315 -3.556 293 H ALA 38 HN ALA 38 53.145 11.359 2.812 294 HA ALA 38 HA ALA 38 50.479 11.393 3.617 295 1HB ALA 38 HB1 ALA 38 52.290 9.767 4.390 296 2HB ALA 38 HB3 ALA 38 52.781 10.995 5.555 297 3HB ALA 38 HB2 ALA 38 51.172 10.286 5.647 298 H ALA 39 HN ALA 39 53.019 12.834 5.633 299 HA ALA 39 HA ALA 39 52.010 15.476 5.700 300 1HB ALA 39 HB3 ALA 39 50.528 13.551 7.386 301 2HB ALA 39 HB2 ALA 39 51.068 15.002 8.231 302 3HB ALA 39 HB1 ALA 39 50.041 15.143 6.804 303 H ARG 40 HN ARG 40 53.233 12.856 7.685 304 HA ARG 40 HA ARG 40 55.798 13.996 8.143 305 1HB ARG 40 HB2 ARG 40 53.656 14.882 9.958 306 2HB ARG 40 HB1 ARG 40 55.051 14.189 10.783 307 1HG ARG 40 HG2 ARG 40 56.389 15.939 10.240 308 2HG ARG 40 HG1 ARG 40 55.764 16.017 8.592 309 1HD ARG 40 HD2 ARG 40 53.714 17.127 9.438 310 2HD ARG 40 HD1 ARG 40 54.387 17.096 11.068 311 HE ARG 40 HE ARG 40 55.735 18.568 8.840 312 1HH1 ARG 40 HH12 ARG 40 56.577 18.066 11.863 313 2HH1 ARG 40 HH11 ARG 40 56.317 19.664 12.480 314 1HH2 ARG 40 HH21 ARG 40 54.518 20.726 9.713 315 2HH2 ARG 40 HH22 ARG 40 55.151 21.169 11.263 316 H ILE 41 HN ILE 41 56.783 11.998 8.181 317 HA ILE 41 HA ILE 41 55.597 9.584 8.875 318 HB ILE 41 HB ILE 41 57.914 9.800 7.915 319 1HG1 ILE 41 HG12 ILE 41 58.736 7.799 9.145 320 2HG1 ILE 41 HG11 ILE 41 57.514 8.086 10.381 321 1HG2 ILE 41 HG21 ILE 41 58.526 11.471 9.852 322 2HG2 ILE 41 HG23 ILE 41 58.885 9.998 10.753 323 3HG2 ILE 41 HG22 ILE 41 59.749 10.348 9.257 324 1HD1 ILE 41 HD12 ILE 41 56.645 7.943 7.517 325 2HD1 ILE 41 HD11 ILE 41 56.995 6.442 8.373 326 3HD1 ILE 41 HD13 ILE 41 55.748 7.531 8.979 327 H SER 42 HN SER 42 54.277 9.561 10.574 328 HA SER 42 HA SER 42 55.641 9.674 13.165 329 1HB SER 42 HB2 SER 42 54.209 11.191 14.140 330 2HB SER 42 HB1 SER 42 54.259 11.833 12.495 331 HG SER 42 HG SER 42 52.330 10.804 12.069 332 H LEU 43 HN LEU 43 55.208 7.388 11.967 333 HA LEU 43 HA LEU 43 52.806 6.372 13.359 334 1HB LEU 43 HB2 LEU 43 53.958 5.749 10.697 335 2HB LEU 43 HB1 LEU 43 53.387 4.360 11.624 336 HG LEU 43 HG LEU 43 51.505 6.575 11.764 337 1HD1 LEU 43 HD11 LEU 43 52.312 5.506 9.048 338 2HD1 LEU 43 HD13 LEU 43 50.758 6.280 9.353 339 3HD1 LEU 43 HD12 LEU 43 52.252 7.191 9.565 340 1HD2 LEU 43 HD23 LEU 43 51.581 3.650 11.276 341 2HD2 LEU 43 HD22 LEU 43 50.483 4.594 12.284 342 3HD2 LEU 43 HD21 LEU 43 50.224 4.506 10.542 343 H GLY 44 HN GLY 44 56.145 6.500 13.357 344 1HA GLY 44 HA2 GLY 44 56.740 5.141 15.615 345 2HA GLY 44 HA1 GLY 44 56.529 3.794 14.496 346 HA PRO 45 HA PRO 45 60.935 5.530 14.115 347 1HB PRO 45 HB2 PRO 45 62.201 3.545 15.463 348 2HB PRO 45 HB1 PRO 45 61.568 4.990 16.260 349 1HG PRO 45 HG2 PRO 45 60.517 2.225 16.286 350 2HG PRO 45 HG1 PRO 45 60.413 3.485 17.522 351 1HD PRO 45 HD2 PRO 45 58.374 2.737 15.775 352 2HD PRO 45 HD1 PRO 45 58.412 4.211 16.743 353 H ARG 46 HN ARG 46 60.486 1.988 14.426 354 HA ARG 46 HA ARG 46 62.125 1.172 12.336 355 1HB ARG 46 HB2 ARG 46 60.986 -0.884 12.373 356 2HB ARG 46 HB1 ARG 46 60.655 -0.229 13.974 357 1HG ARG 46 HG2 ARG 46 58.776 0.164 11.628 358 2HG ARG 46 HG1 ARG 46 58.640 -1.187 12.749 359 1HD ARG 46 HD2 ARG 46 58.707 1.681 13.698 360 2HD ARG 46 HD1 ARG 46 57.207 0.862 13.280 361 HE ARG 46 HE ARG 46 58.945 -0.501 15.243 362 1HH1 ARG 46 HH12 ARG 46 56.615 1.966 14.878 363 2HH1 ARG 46 HH11 ARG 46 55.654 1.466 16.230 364 1HH2 ARG 46 HH21 ARG 46 57.530 -1.385 16.846 365 2HH2 ARG 46 HH22 ARG 46 56.171 -0.432 17.343 366 H CYS 47 HN CYS 47 59.032 2.741 12.180 367 HA CYS 47 HA CYS 47 58.348 2.152 9.457 368 1HB CYS 47 HB2 CYS 47 57.331 3.743 11.603 369 2HB CYS 47 HB1 CYS 47 57.467 4.782 10.182 370 H ILE 48 HN ILE 48 59.911 5.051 10.862 371 HA ILE 48 HA ILE 48 60.271 6.616 8.666 372 HB ILE 48 HB ILE 48 62.744 6.053 10.278 373 1HG1 ILE 48 HG12 ILE 48 61.055 5.976 11.993 374 2HG1 ILE 48 HG11 ILE 48 61.741 7.597 12.035 375 1HG2 ILE 48 HG21 ILE 48 61.407 8.372 8.927 376 2HG2 ILE 48 HG23 ILE 48 62.509 8.680 10.269 377 3HG2 ILE 48 HG22 ILE 48 63.086 7.840 8.829 378 1HD1 ILE 48 HD12 ILE 48 59.868 8.407 10.623 379 2HD1 ILE 48 HD11 ILE 48 59.163 6.790 10.663 380 3HD1 ILE 48 HD13 ILE 48 59.301 7.729 12.149 381 H LYS 49 HN LYS 49 62.811 4.200 9.455 382 HA LYS 49 HA LYS 49 63.807 4.339 6.718 383 1HB LYS 49 HB2 LYS 49 65.231 4.002 8.799 384 2HB LYS 49 HB1 LYS 49 64.616 2.349 8.842 385 1HG LYS 49 HG2 LYS 49 65.716 1.740 6.892 386 2HG LYS 49 HG1 LYS 49 65.737 3.389 6.266 387 1HD LYS 49 HD2 LYS 49 67.793 3.718 7.113 388 2HD LYS 49 HD1 LYS 49 67.215 3.307 8.729 389 1HE LYS 49 HE2 LYS 49 67.490 0.896 8.189 390 2HE LYS 49 HE1 LYS 49 68.138 1.342 6.612 391 1HZ LYS 49 HZ3 LYS 49 69.398 2.685 8.828 392 2HZ LYS 49 HZ2 LYS 49 69.609 0.999 8.840 393 3HZ LYS 49 HZ1 LYS 49 70.096 1.910 7.491 394 H ALA 50 HN ALA 50 61.529 2.287 8.390 395 HA ALA 50 HA ALA 50 61.891 0.017 6.647 396 1HB ALA 50 HB1 ALA 50 59.512 0.855 8.335 397 2HB ALA 50 HB3 ALA 50 59.666 -0.702 7.518 398 3HB ALA 50 HB2 ALA 50 60.781 -0.271 8.814 399 H PHE 51 HN PHE 51 59.219 2.335 6.918 400 HA PHE 51 HA PHE 51 58.179 1.763 4.370 401 1HB PHE 51 HB2 PHE 51 56.605 3.355 4.837 402 2HB PHE 51 HB1 PHE 51 57.254 3.211 6.464 403 HD1 PHE 51 HD2 PHE 51 57.636 5.150 3.272 404 HD2 PHE 51 HD1 PHE 51 58.225 5.086 7.514 405 HE1 PHE 51 HE2 PHE 51 58.348 7.527 3.224 406 HE2 PHE 51 HE1 PHE 51 58.945 7.439 7.457 407 HZ PHE 51 HZ PHE 51 58.997 8.665 5.330 408 H THR 52 HN THR 52 60.305 4.418 5.460 409 HA THR 52 HA THR 52 60.525 5.726 2.986 410 HB THR 52 HB THR 52 62.641 5.339 5.121 411 HG1 THR 52 HG1 THR 52 61.872 7.255 5.875 412 1HG2 THR 52 HG22 THR 52 62.524 7.197 2.735 413 2HG2 THR 52 HG21 THR 52 63.626 7.421 4.093 414 3HG2 THR 52 HG23 THR 52 63.754 5.981 3.083 415 H GLU 53 HN GLU 53 62.361 2.973 4.206 416 HA GLU 53 HA GLU 53 64.149 2.714 2.006 417 1HB GLU 53 HB2 GLU 53 64.667 1.692 4.117 418 2HB GLU 53 HB1 GLU 53 63.180 0.748 4.053 419 1HG GLU 53 HG2 GLU 53 65.206 -0.572 3.392 420 2HG GLU 53 HG1 GLU 53 63.983 -0.490 2.123 421 H CYS 54 HN CYS 54 61.015 1.178 2.683 422 HA CYS 54 HA CYS 54 61.157 -0.505 0.310 423 1HB CYS 54 HB2 CYS 54 59.134 0.067 2.437 424 2HB CYS 54 HB1 CYS 54 58.588 -0.672 0.932 425 H CYS 55 HN CYS 55 60.015 2.649 1.086 426 HA CYS 55 HA CYS 55 58.384 2.895 -1.343 427 1HB CYS 55 HB2 CYS 55 57.398 4.241 0.223 428 2HB CYS 55 HB1 CYS 55 58.886 4.434 1.132 429 H VAL 56 HN VAL 56 61.612 3.586 -0.231 430 HA VAL 56 HA VAL 56 62.248 5.336 -2.499 431 HB VAL 56 HB VAL 56 64.068 3.918 -0.514 432 1HG1 VAL 56 HG13 VAL 56 64.570 6.060 -2.592 433 2HG1 VAL 56 HG12 VAL 56 65.709 5.672 -1.302 434 3HG1 VAL 56 HG11 VAL 56 65.296 4.455 -2.510 435 1HG2 VAL 56 HG21 VAL 56 62.296 5.967 0.003 436 2HG2 VAL 56 HG23 VAL 56 63.765 5.647 0.924 437 3HG2 VAL 56 HG22 VAL 56 63.781 6.843 -0.371 438 H VAL 57 HN VAL 57 62.877 1.985 -1.501 439 HA VAL 57 HA VAL 57 64.339 1.291 -3.883 440 HB VAL 57 HB VAL 57 63.899 -1.029 -3.207 441 1HG1 VAL 57 HG11 VAL 57 64.917 1.024 -1.367 442 2HG1 VAL 57 HG13 VAL 57 64.425 -0.463 -0.557 443 3HG1 VAL 57 HG12 VAL 57 65.637 -0.516 -1.837 444 1HG2 VAL 57 HG21 VAL 57 61.986 0.258 -1.241 445 2HG2 VAL 57 HG23 VAL 57 61.569 -0.834 -2.559 446 3HG2 VAL 57 HG22 VAL 57 62.480 -1.433 -1.174 447 H ALA 58 HN ALA 58 60.997 1.093 -2.779 448 HA ALA 58 HA ALA 58 59.906 -0.019 -5.181 449 1HB ALA 58 HB1 ALA 58 58.728 1.764 -3.030 450 2HB ALA 58 HB3 ALA 58 57.773 1.076 -4.342 451 3HB ALA 58 HB2 ALA 58 58.551 0.014 -3.167 452 H SER 59 HN SER 59 60.968 3.084 -4.121 453 HA SER 59 HA SER 59 59.685 4.790 -5.985 454 1HB SER 59 HB2 SER 59 61.469 5.051 -3.946 455 2HB SER 59 HB1 SER 59 62.435 5.510 -5.340 456 HG SER 59 HG SER 59 60.350 6.759 -5.847 457 H GLN 60 HN GLN 60 62.913 3.321 -6.082 458 HA GLN 60 HA GLN 60 63.491 4.133 -8.788 459 1HB GLN 60 HB2 GLN 60 64.810 2.792 -6.627 460 2HB GLN 60 HB1 GLN 60 64.975 1.822 -8.093 461 1HG GLN 60 HG2 GLN 60 66.054 3.555 -9.263 462 2HG GLN 60 HG1 GLN 60 65.427 4.795 -8.171 463 1HE2 GLN 60 HE22 GLN 60 67.814 3.745 -5.537 464 2HE2 GLN 60 HE21 GLN 60 66.135 3.954 -5.666 465 H LEU 61 HN LEU 61 61.844 1.460 -7.331 466 HA LEU 61 HA LEU 61 62.041 -0.377 -9.537 467 1HB LEU 61 HB2 LEU 61 60.267 -0.077 -7.127 468 2HB LEU 61 HB1 LEU 61 59.901 -1.293 -8.341 469 HG LEU 61 HG LEU 61 62.367 -1.054 -6.653 470 1HD1 LEU 61 HD13 LEU 61 59.995 -2.381 -6.236 471 2HD1 LEU 61 HD12 LEU 61 60.991 -3.632 -6.977 472 3HD1 LEU 61 HD11 LEU 61 61.536 -2.830 -5.505 473 1HD2 LEU 61 HD22 LEU 61 61.949 -2.356 -9.289 474 2HD2 LEU 61 HD21 LEU 61 63.439 -1.756 -8.559 475 3HD2 LEU 61 HD23 LEU 61 62.784 -3.321 -8.071 476 H ARG 62 HN ARG 62 59.840 2.203 -8.582 477 HA ARG 62 HA ARG 62 58.230 1.700 -11.009 478 1HB ARG 62 HB2 ARG 62 56.578 3.199 -10.044 479 2HB ARG 62 HB1 ARG 62 57.055 2.013 -8.831 480 1HG ARG 62 HG2 ARG 62 58.474 3.590 -7.716 481 2HG ARG 62 HG1 ARG 62 58.345 4.742 -9.045 482 1HD ARG 62 HD2 ARG 62 56.440 5.607 -8.206 483 2HD ARG 62 HD1 ARG 62 55.716 4.006 -8.055 484 HE ARG 62 HE ARG 62 56.559 3.879 -5.793 485 1HH1 ARG 62 HH12 ARG 62 56.146 6.974 -6.965 486 2HH1 ARG 62 HH11 ARG 62 57.133 7.757 -5.777 487 1HH2 ARG 62 HH21 ARG 62 58.374 4.796 -4.469 488 2HH2 ARG 62 HH22 ARG 62 58.397 6.525 -4.367 489 H ALA 63 HN ALA 63 60.848 3.631 -10.056 490 HA ALA 63 HA ALA 63 60.081 5.827 -11.910 491 1HB ALA 63 HB1 ALA 63 61.110 6.126 -9.503 492 2HB ALA 63 HB3 ALA 63 62.631 5.792 -10.329 493 3HB ALA 63 HB2 ALA 63 61.645 7.169 -10.822 494 H ASN 64 HN ASN 64 60.958 3.045 -12.741 495 HA ASN 64 HA ASN 64 62.903 3.950 -14.748 496 1HB ASN 64 HB2 ASN 64 63.611 2.105 -12.498 497 2HB ASN 64 HB1 ASN 64 64.309 1.801 -14.089 498 1HD2 ASN 64 HD22 ASN 64 66.446 4.248 -12.120 499 2HD2 ASN 64 HD21 ASN 64 65.804 2.727 -11.723 500 H ILE 65 HN ILE 65 62.154 0.695 -13.496 501 HA ILE 65 HA ILE 65 61.716 -0.409 -16.086 502 HB ILE 65 HB ILE 65 60.318 -1.536 -13.677 503 1HG1 ILE 65 HG12 ILE 65 62.382 -0.959 -12.650 504 2HG1 ILE 65 HG11 ILE 65 62.599 -2.631 -13.160 505 1HG2 ILE 65 HG21 ILE 65 61.099 -2.406 -16.294 506 2HG2 ILE 65 HG23 ILE 65 61.961 -3.377 -15.101 507 3HG2 ILE 65 HG22 ILE 65 60.200 -3.299 -15.067 508 1HD1 ILE 65 HD13 ILE 65 63.395 -1.261 -15.403 509 2HD1 ILE 65 HD12 ILE 65 63.947 -0.192 -14.114 510 3HD1 ILE 65 HD11 ILE 65 64.490 -1.870 -14.161 511 H SER 66 HN SER 66 59.356 -1.620 -16.321 512 HA SER 66 HA SER 66 57.056 -0.048 -15.587 513 1HB SER 66 HB2 SER 66 58.482 1.172 -17.567 514 2HB SER 66 HB1 SER 66 57.416 0.147 -18.521 515 HG SER 66 HG SER 66 56.860 2.356 -16.983 516 H HIS 67 HN HIS 67 57.855 -2.820 -15.641 517 HA HIS 67 HA HIS 67 55.576 -3.900 -17.183 518 1HB HIS 67 HB2 HIS 67 57.991 -3.958 -18.399 519 2HB HIS 67 HB1 HIS 67 58.093 -5.450 -17.467 520 HD1 HIS 67 HD1 HIS 67 57.964 -6.036 -20.331 521 HD2 HIS 67 HD2 HIS 67 54.475 -5.276 -18.179 522 HE1 HIS 67 HE1 HIS 67 56.064 -7.055 -21.662 523 H LYS 68 HN LYS 68 56.812 -6.650 -16.734 524 HA LYS 68 HA LYS 68 55.542 -7.431 -14.409 525 1HB LYS 68 HB2 LYS 68 58.127 -8.416 -15.627 526 2HB LYS 68 HB1 LYS 68 57.419 -9.187 -14.207 527 1HG LYS 68 HG2 LYS 68 56.071 -8.819 -16.897 528 2HG LYS 68 HG1 LYS 68 56.663 -10.341 -16.229 529 1HD LYS 68 HD2 LYS 68 54.620 -10.614 -15.316 530 2HD LYS 68 HD1 LYS 68 55.028 -9.294 -14.218 531 1HE LYS 68 HE2 LYS 68 54.228 -7.707 -16.060 532 2HE LYS 68 HE1 LYS 68 53.546 -9.129 -16.848 533 1HZ LYS 68 HZ1 LYS 68 52.860 -9.121 -14.110 534 2HZ LYS 68 HZ3 LYS 68 52.426 -7.633 -14.802 535 3HZ LYS 68 HZ2 LYS 68 51.836 -9.083 -15.466 536 H ASP 69 HN ASP 69 58.900 -6.258 -14.607 537 HA ASP 69 HA ASP 69 59.463 -6.348 -11.840 538 1HB ASP 69 HB2 ASP 69 60.658 -5.138 -14.242 539 2HB ASP 69 HB1 ASP 69 60.931 -4.206 -12.769 540 H MET 70 HN MET 70 58.452 -3.586 -13.895 541 HA MET 70 HA MET 70 57.945 -1.898 -11.583 542 1HB MET 70 HB2 MET 70 58.521 -1.160 -13.991 543 2HB MET 70 HB1 MET 70 56.820 -1.442 -14.348 544 1HG MET 70 HG2 MET 70 57.633 0.241 -11.991 545 2HG MET 70 HG1 MET 70 57.536 0.942 -13.606 546 1HE MET 70 HE2 MET 70 55.921 2.130 -14.229 547 2HE MET 70 HE1 MET 70 54.212 2.128 -13.799 548 3HE MET 70 HE3 MET 70 55.421 2.679 -12.632 549 H GLN 71 HN GLN 71 55.572 -2.801 -14.112 550 HA GLN 71 HA GLN 71 53.217 -2.341 -12.820 551 1HB GLN 71 HB2 GLN 71 53.600 -3.489 -15.094 552 2HB GLN 71 HB1 GLN 71 53.640 -5.001 -14.187 553 1HG GLN 71 HG2 GLN 71 51.405 -4.230 -13.156 554 2HG GLN 71 HG1 GLN 71 51.356 -3.046 -14.464 555 1HE2 GLN 71 HE22 GLN 71 50.941 -5.554 -17.027 556 2HE2 GLN 71 HE21 GLN 71 51.634 -4.030 -16.749 557 H LEU 72 HN LEU 72 55.408 -5.050 -12.123 558 HA LEU 72 HA LEU 72 53.604 -5.818 -9.857 559 1HB LEU 72 HB2 LEU 72 55.044 -7.339 -11.832 560 2HB LEU 72 HB1 LEU 72 55.623 -7.771 -10.224 561 HG LEU 72 HG LEU 72 53.293 -8.153 -9.513 562 1HD1 LEU 72 HD12 LEU 72 52.433 -6.417 -11.165 563 2HD1 LEU 72 HD11 LEU 72 52.576 -7.662 -12.406 564 3HD1 LEU 72 HD13 LEU 72 51.476 -7.894 -11.047 565 1HD2 LEU 72 HD23 LEU 72 54.670 -9.628 -11.624 566 2HD2 LEU 72 HD22 LEU 72 53.785 -10.249 -10.230 567 3HD2 LEU 72 HD21 LEU 72 52.921 -9.843 -11.714 568 H GLY 73 HN GLY 73 57.076 -6.284 -10.392 569 1HA GLY 73 HA2 GLY 73 58.048 -6.142 -7.856 570 2HA GLY 73 HA1 GLY 73 58.915 -5.407 -9.204 571 H ARG 74 HN ARG 74 57.143 -3.352 -9.858 572 HA ARG 74 HA ARG 74 57.182 -1.028 -9.250 573 1HB ARG 74 HB2 ARG 74 55.256 -0.603 -7.815 574 2HB ARG 74 HB1 ARG 74 54.889 -1.933 -8.911 575 1HG ARG 74 HG2 ARG 74 54.164 -2.864 -6.926 576 2HG ARG 74 HG1 ARG 74 55.844 -3.390 -6.887 577 1HD ARG 74 HD2 ARG 74 55.982 -2.353 -4.886 578 2HD ARG 74 HD1 ARG 74 55.939 -0.838 -5.788 579 HE ARG 74 HE ARG 74 53.894 -1.689 -4.043 580 1HH1 ARG 74 HH21 ARG 74 54.305 0.832 -5.941 581 2HH1 ARG 74 HH22 ARG 74 52.733 0.875 -6.666 582 1HH2 ARG 74 HH12 ARG 74 51.845 -2.289 -5.560 583 2HH2 ARG 74 HH11 ARG 74 51.340 -0.892 -6.451 No H/Q in entry = 583 Start of MODEL 20 1 H MET 1 HN MET 1 55.200 -11.064 -10.149 2 HA MET 1 HA MET 1 55.766 -10.501 -7.852 3 1HB MET 1 HB2 MET 1 57.557 -9.046 -9.787 4 2HB MET 1 HB1 MET 1 57.857 -9.070 -8.049 5 1HG MET 1 HG2 MET 1 58.926 -11.033 -8.371 6 2HG MET 1 HG1 MET 1 57.342 -11.738 -8.688 7 1HE MET 1 HE3 MET 1 56.824 -12.963 -10.647 8 2HE MET 1 HE2 MET 1 58.060 -13.340 -11.844 9 3HE MET 1 HE1 MET 1 58.394 -13.594 -10.134 10 H LEU 2 HN LEU 2 53.591 -9.195 -7.719 11 HA LEU 2 HA LEU 2 53.813 -6.306 -7.796 12 1HB LEU 2 HB2 LEU 2 51.671 -7.767 -7.885 13 2HB LEU 2 HB1 LEU 2 51.829 -7.852 -6.132 14 HG LEU 2 HG LEU 2 52.084 -5.229 -6.339 15 1HD1 LEU 2 HD12 LEU 2 51.187 -6.108 -9.005 16 2HD1 LEU 2 HD11 LEU 2 50.201 -4.827 -8.299 17 3HD1 LEU 2 HD13 LEU 2 51.935 -4.588 -8.514 18 1HD2 LEU 2 HD23 LEU 2 49.972 -7.017 -5.773 19 2HD2 LEU 2 HD22 LEU 2 50.086 -5.322 -5.298 20 3HD2 LEU 2 HD21 LEU 2 49.278 -5.764 -6.802 21 H GLN 3 HN GLN 3 55.544 -8.283 -5.936 22 HA GLN 3 HA GLN 3 56.179 -6.369 -3.944 23 1HB GLN 3 HB2 GLN 3 55.060 -7.184 -1.980 24 2HB GLN 3 HB1 GLN 3 53.815 -6.964 -3.209 25 1HG GLN 3 HG2 GLN 3 54.450 -9.500 -3.768 26 2HG GLN 3 HG1 GLN 3 54.924 -9.489 -2.068 27 1HE2 GLN 3 HE22 GLN 3 51.490 -10.281 -1.505 28 2HE2 GLN 3 HE21 GLN 3 53.061 -10.920 -1.574 29 H LYS 4 HN LYS 4 57.840 -7.875 -5.411 30 HA LYS 4 HA LYS 4 58.572 -10.289 -3.882 31 1HB LYS 4 HB2 LYS 4 58.675 -9.714 -6.551 32 2HB LYS 4 HB1 LYS 4 60.337 -9.391 -6.071 33 1HG LYS 4 HG2 LYS 4 58.774 -11.960 -5.792 34 2HG LYS 4 HG1 LYS 4 60.294 -11.697 -6.642 35 1HD LYS 4 HD2 LYS 4 59.867 -11.611 -3.640 36 2HD LYS 4 HD1 LYS 4 60.756 -12.835 -4.539 37 1HE LYS 4 HE2 LYS 4 61.730 -10.158 -5.142 38 2HE LYS 4 HE1 LYS 4 61.825 -10.509 -3.415 39 1HZ LYS 4 HZ3 LYS 4 62.744 -12.473 -5.418 40 2HZ LYS 4 HZ2 LYS 4 63.761 -11.212 -4.906 41 3HZ LYS 4 HZ1 LYS 4 63.172 -12.342 -3.782 42 H LYS 5 HN LYS 5 60.367 -7.441 -5.128 43 HA LYS 5 HA LYS 5 62.482 -7.836 -3.220 44 1HB LYS 5 HB2 LYS 5 63.321 -6.716 -5.041 45 2HB LYS 5 HB1 LYS 5 61.805 -5.874 -5.347 46 1HG LYS 5 HG2 LYS 5 63.472 -4.269 -4.614 47 2HG LYS 5 HG1 LYS 5 62.249 -4.442 -3.363 48 1HD LYS 5 HD2 LYS 5 63.902 -6.312 -2.477 49 2HD LYS 5 HD1 LYS 5 65.087 -5.382 -3.397 50 1HE LYS 5 HE2 LYS 5 63.538 -3.493 -1.976 51 2HE LYS 5 HE1 LYS 5 63.922 -4.775 -0.828 52 1HZ LYS 5 HZ1 LYS 5 66.265 -4.493 -2.038 53 2HZ LYS 5 HZ3 LYS 5 65.687 -2.905 -2.182 54 3HZ LYS 5 HZ2 LYS 5 65.828 -3.620 -0.648 55 H ILE 6 HN ILE 6 59.381 -6.513 -2.974 56 HA ILE 6 HA ILE 6 60.182 -4.759 -0.710 57 HB ILE 6 HB ILE 6 57.438 -5.090 -1.937 58 1HG1 ILE 6 HG12 ILE 6 59.348 -4.399 -3.502 59 2HG1 ILE 6 HG11 ILE 6 57.969 -3.292 -3.412 60 1HG2 ILE 6 HG23 ILE 6 58.360 -3.782 0.382 61 2HG2 ILE 6 HG22 ILE 6 58.128 -2.504 -0.807 62 3HG2 ILE 6 HG21 ILE 6 56.791 -3.574 -0.394 63 1HD1 ILE 6 HD12 ILE 6 60.536 -3.004 -1.817 64 2HD1 ILE 6 HD11 ILE 6 60.159 -2.102 -3.285 65 3HD1 ILE 6 HD13 ILE 6 59.186 -1.870 -1.832 66 H GLU 7 HN GLU 7 58.464 -7.715 -1.495 67 HA GLU 7 HA GLU 7 57.365 -8.047 1.190 68 1HB GLU 7 HB2 GLU 7 56.327 -9.175 -0.763 69 2HB GLU 7 HB1 GLU 7 57.814 -10.092 -1.014 70 1HG GLU 7 HG2 GLU 7 56.593 -11.609 0.248 71 2HG GLU 7 HG1 GLU 7 57.458 -10.751 1.523 72 H GLU 8 HN GLU 8 60.369 -8.552 -0.419 73 HA GLU 8 HA GLU 8 61.401 -10.525 1.461 74 1HB GLU 8 HB2 GLU 8 63.470 -10.308 0.266 75 2HB GLU 8 HB1 GLU 8 62.196 -10.188 -0.946 76 1HG GLU 8 HG2 GLU 8 62.382 -7.771 -1.014 77 2HG GLU 8 HG1 GLU 8 63.481 -7.785 0.376 78 H ILE 9 HN ILE 9 61.665 -7.003 1.014 79 HA ILE 9 HA ILE 9 63.446 -6.689 3.305 80 HB ILE 9 HB ILE 9 63.546 -5.041 1.513 81 1HG1 ILE 9 HG12 ILE 9 63.473 -3.053 2.838 82 2HG1 ILE 9 HG11 ILE 9 62.197 -3.705 3.864 83 1HG2 ILE 9 HG22 ILE 9 60.635 -4.568 2.200 84 2HG2 ILE 9 HG21 ILE 9 61.588 -3.539 1.130 85 3HG2 ILE 9 HG23 ILE 9 61.269 -5.215 0.689 86 1HD1 ILE 9 HD12 ILE 9 64.745 -5.245 3.724 87 2HD1 ILE 9 HD11 ILE 9 64.769 -3.728 4.623 88 3HD1 ILE 9 HD13 ILE 9 63.649 -5.009 5.085 89 H ALA 10 HN ALA 10 60.036 -6.760 2.709 90 HA ALA 10 HA ALA 10 59.236 -5.519 5.209 91 1HB ALA 10 HB3 ALA 10 57.799 -7.277 3.212 92 2HB ALA 10 HB2 ALA 10 57.018 -6.605 4.644 93 3HB ALA 10 HB1 ALA 10 57.653 -5.530 3.398 94 H ALA 11 HN ALA 11 59.546 -8.833 3.998 95 HA ALA 11 HA ALA 11 58.779 -10.065 6.505 96 1HB ALA 11 HB3 ALA 11 58.706 -11.097 4.147 97 2HB ALA 11 HB2 ALA 11 60.440 -11.352 4.339 98 3HB ALA 11 HB1 ALA 11 59.307 -12.123 5.450 99 H LYS 12 HN LYS 12 61.800 -8.959 5.064 100 HA LYS 12 HA LYS 12 63.335 -10.326 7.192 101 1HB LYS 12 HB2 LYS 12 65.306 -9.652 6.051 102 2HB LYS 12 HB1 LYS 12 64.158 -10.062 4.778 103 1HG LYS 12 HG2 LYS 12 64.487 -8.012 3.931 104 2HG LYS 12 HG1 LYS 12 63.673 -7.358 5.356 105 1HD LYS 12 HD2 LYS 12 65.707 -6.259 5.519 106 2HD LYS 12 HD1 LYS 12 66.074 -7.712 6.449 107 1HE LYS 12 HE2 LYS 12 67.879 -7.693 4.994 108 2HE LYS 12 HE1 LYS 12 66.741 -8.671 4.069 109 1HZ LYS 12 HZ1 LYS 12 66.531 -5.798 3.711 110 2HZ LYS 12 HZ3 LYS 12 67.944 -6.509 3.100 111 3HZ LYS 12 HZ2 LYS 12 66.424 -7.048 2.566 112 H TYR 13 HN TYR 13 61.531 -8.579 8.284 113 HA TYR 13 HA TYR 13 63.223 -6.258 9.105 114 1HB TYR 13 HB2 TYR 13 60.263 -6.627 8.832 115 2HB TYR 13 HB1 TYR 13 60.867 -5.520 10.061 116 HD1 TYR 13 HD1 TYR 13 63.259 -4.374 8.898 117 HD2 TYR 13 HD2 TYR 13 59.520 -5.337 7.025 118 HE1 TYR 13 HE1 TYR 13 63.693 -2.660 7.160 119 HE2 TYR 13 HE2 TYR 13 59.956 -3.633 5.281 120 HH TYR 13 HH TYR 13 63.005 -1.799 5.217 121 H LYS 14 HN LYS 14 63.583 -5.943 11.301 122 HA LYS 14 HA LYS 14 63.198 -8.318 12.996 123 1HB LYS 14 HB2 LYS 14 65.053 -6.115 12.876 124 2HB LYS 14 HB1 LYS 14 64.356 -6.213 14.494 125 1HG LYS 14 HG2 LYS 14 65.932 -7.814 14.841 126 2HG LYS 14 HG1 LYS 14 64.826 -8.857 13.946 127 1HD LYS 14 HD2 LYS 14 65.981 -8.289 11.843 128 2HD LYS 14 HD1 LYS 14 67.087 -7.239 12.730 129 1HE LYS 14 HE2 LYS 14 67.774 -9.732 12.183 130 2HE LYS 14 HE1 LYS 14 68.184 -9.020 13.743 131 1HZ LYS 14 HZ3 LYS 14 65.736 -10.612 13.218 132 2HZ LYS 14 HZ2 LYS 14 67.153 -11.235 13.919 133 3HZ LYS 14 HZ1 LYS 14 66.264 -10.029 14.720 134 H HIS 15 HN HIS 15 60.759 -6.983 12.349 135 HA HIS 15 HA HIS 15 59.627 -6.693 14.962 136 1HB HIS 15 HB2 HIS 15 60.883 -4.336 13.944 137 2HB HIS 15 HB1 HIS 15 59.140 -4.077 13.912 138 HD1 HIS 15 HD1 HIS 15 61.274 -2.823 16.009 139 HD2 HIS 15 HD2 HIS 15 58.602 -5.940 16.729 140 HE1 HIS 15 HE1 HIS 15 60.920 -2.899 18.516 141 H SER 16 HN SER 16 57.672 -7.558 14.555 142 HA SER 16 HA SER 16 56.424 -7.945 12.107 143 1HB SER 16 HB2 SER 16 54.569 -8.606 13.303 144 2HB SER 16 HB1 SER 16 55.759 -8.593 14.600 145 HG SER 16 HG SER 16 54.232 -7.332 15.420 146 H VAL 17 HN VAL 17 56.047 -4.990 14.140 147 HA VAL 17 HA VAL 17 54.034 -3.785 12.532 148 HB VAL 17 HB VAL 17 56.151 -2.382 14.183 149 1HG1 VAL 17 HG13 VAL 17 54.352 -1.252 12.509 150 2HG1 VAL 17 HG12 VAL 17 53.351 -1.412 13.952 151 3HG1 VAL 17 HG11 VAL 17 54.857 -0.497 14.021 152 1HG2 VAL 17 HG23 VAL 17 54.314 -4.304 15.040 153 2HG2 VAL 17 HG22 VAL 17 55.121 -3.112 16.060 154 3HG2 VAL 17 HG21 VAL 17 53.524 -2.768 15.397 155 H VAL 18 HN VAL 18 57.556 -3.831 12.199 156 HA VAL 18 HA VAL 18 57.812 -1.675 10.345 157 HB VAL 18 HB VAL 18 59.424 -4.214 10.111 158 1HG1 VAL 18 HG12 VAL 18 59.630 -1.911 8.785 159 2HG1 VAL 18 HG11 VAL 18 60.564 -1.471 10.216 160 3HG1 VAL 18 HG13 VAL 18 61.047 -2.854 9.236 161 1HG2 VAL 18 HG21 VAL 18 59.006 -2.822 12.548 162 2HG2 VAL 18 HG23 VAL 18 60.200 -4.073 12.202 163 3HG2 VAL 18 HG22 VAL 18 60.611 -2.378 11.971 164 H LYS 19 HN LYS 19 56.340 -4.761 10.094 165 HA LYS 19 HA LYS 19 56.637 -5.230 7.286 166 1HB LYS 19 HB2 LYS 19 55.745 -6.835 9.091 167 2HB LYS 19 HB1 LYS 19 54.202 -6.001 8.902 168 1HG LYS 19 HG2 LYS 19 53.810 -6.913 6.852 169 2HG LYS 19 HG1 LYS 19 55.507 -6.819 6.375 170 1HD LYS 19 HD2 LYS 19 55.589 -8.686 8.393 171 2HD LYS 19 HD1 LYS 19 54.036 -9.036 7.634 172 1HE LYS 19 HE2 LYS 19 55.160 -9.128 5.421 173 2HE LYS 19 HE1 LYS 19 56.709 -8.848 6.215 174 1HZ LYS 19 HZ3 LYS 19 55.901 -10.880 7.643 175 2HZ LYS 19 HZ2 LYS 19 55.005 -11.225 6.241 176 3HZ LYS 19 HZ1 LYS 19 56.697 -11.104 6.162 177 H LYS 20 HN LYS 20 54.021 -3.632 9.145 178 HA LYS 20 HA LYS 20 52.491 -2.902 6.821 179 1HB LYS 20 HB2 LYS 20 51.314 -2.841 8.874 180 2HB LYS 20 HB1 LYS 20 52.574 -1.892 9.661 181 1HG LYS 20 HG2 LYS 20 51.620 0.043 9.004 182 2HG LYS 20 HG1 LYS 20 51.558 -0.494 7.323 183 1HD LYS 20 HD2 LYS 20 49.286 -0.108 8.052 184 2HD LYS 20 HD1 LYS 20 49.515 -1.853 7.927 185 1HE LYS 20 HE2 LYS 20 48.421 -1.503 10.020 186 2HE LYS 20 HE1 LYS 20 50.113 -1.810 10.414 187 1HZ LYS 20 HZ3 LYS 20 49.041 0.923 10.034 188 2HZ LYS 20 HZ2 LYS 20 49.042 0.149 11.545 189 3HZ LYS 20 HZ1 LYS 20 50.509 0.466 10.749 190 H CYS 21 HN CYS 21 54.781 -1.066 8.847 191 HA CYS 21 HA CYS 21 54.731 1.393 7.528 192 1HB CYS 21 HB2 CYS 21 57.015 -0.137 8.788 193 2HB CYS 21 HB1 CYS 21 57.205 1.502 8.181 194 H CYS 22 HN CYS 22 56.591 -1.506 6.673 195 HA CYS 22 HA CYS 22 57.779 -0.309 4.307 196 1HB CYS 22 HB2 CYS 22 58.984 -2.113 5.232 197 2HB CYS 22 HB1 CYS 22 57.543 -3.110 5.411 198 H TYR 23 HN TYR 23 54.836 -2.052 5.063 199 HA TYR 23 HA TYR 23 54.081 -2.867 2.462 200 1HB TYR 23 HB2 TYR 23 52.794 -2.532 5.031 201 2HB TYR 23 HB1 TYR 23 51.720 -2.056 3.729 202 HD1 TYR 23 HD2 TYR 23 51.640 -3.638 1.646 203 HD2 TYR 23 HD1 TYR 23 53.020 -4.755 5.547 204 HE1 TYR 23 HE2 TYR 23 51.258 -6.028 1.091 205 HE2 TYR 23 HE1 TYR 23 52.646 -7.107 4.994 206 HH TYR 23 HH TYR 23 52.549 -8.432 2.393 207 H ASP 24 HN ASP 24 53.275 0.138 4.220 208 HA ASP 24 HA ASP 24 52.040 1.405 1.947 209 1HB ASP 24 HB2 ASP 24 53.360 3.012 4.102 210 2HB ASP 24 HB1 ASP 24 51.808 3.270 3.313 211 H GLY 25 HN GLY 25 55.286 1.673 3.422 212 1HA GLY 25 HA2 GLY 25 56.510 3.583 1.867 213 2HA GLY 25 HA1 GLY 25 57.342 2.087 2.308 214 H ALA 26 HN ALA 26 56.178 0.152 0.879 215 HA ALA 26 HA ALA 26 57.058 0.635 -1.827 216 1HB ALA 26 HB1 ALA 26 56.460 -1.612 -0.269 217 2HB ALA 26 HB3 ALA 26 55.244 -1.628 -1.547 218 3HB ALA 26 HB2 ALA 26 56.958 -1.618 -1.961 219 H CYS 27 HN CYS 27 53.901 0.590 -0.222 220 HA CYS 27 HA CYS 27 52.453 0.948 -2.751 221 1HB CYS 27 HB2 CYS 27 51.734 0.682 0.132 222 2HB CYS 27 HB1 CYS 27 50.589 1.521 -0.914 223 HG CYS 27 HG CYS 27 50.655 -1.362 -0.788 224 H VAL 28 HN VAL 28 54.460 2.940 -1.284 225 HA VAL 28 HA VAL 28 53.572 5.313 -0.452 226 HB VAL 28 HB VAL 28 55.845 5.229 -1.065 227 1HG1 VAL 28 HG13 VAL 28 54.829 4.446 -3.804 228 2HG1 VAL 28 HG12 VAL 28 56.506 4.906 -3.507 229 3HG1 VAL 28 HG11 VAL 28 55.824 3.492 -2.704 230 1HG2 VAL 28 HG22 VAL 28 54.449 7.389 -1.764 231 2HG2 VAL 28 HG21 VAL 28 56.162 7.256 -2.161 232 3HG2 VAL 28 HG23 VAL 28 54.943 6.900 -3.383 233 H ASN 29 HN ASN 29 52.118 6.882 -1.056 234 HA ASN 29 HA ASN 29 50.284 6.454 -3.201 235 1HB ASN 29 HB2 ASN 29 50.781 8.519 -1.180 236 2HB ASN 29 HB1 ASN 29 50.159 9.174 -2.694 237 1HD2 ASN 29 HD22 ASN 29 46.986 8.346 -1.280 238 2HD2 ASN 29 HD21 ASN 29 48.074 9.615 -1.574 239 H ASN 30 HN ASN 30 52.529 9.231 -2.946 240 HA ASN 30 HA ASN 30 52.487 9.599 -5.836 241 1HB ASN 30 HB2 ASN 30 53.996 11.447 -5.426 242 2HB ASN 30 HB1 ASN 30 52.765 11.466 -4.164 243 1HD2 ASN 30 HD22 ASN 30 56.553 11.299 -3.023 244 2HD2 ASN 30 HD21 ASN 30 56.017 11.861 -4.532 245 H ASP 31 HN ASP 31 55.470 10.280 -5.788 246 HA ASP 31 HA ASP 31 56.435 7.465 -6.098 247 1HB ASP 31 HB2 ASP 31 56.247 9.345 -8.072 248 2HB ASP 31 HB1 ASP 31 57.899 9.608 -7.514 249 H GLU 32 HN GLU 32 57.858 10.737 -5.706 250 HA GLU 32 HA GLU 32 60.149 9.657 -4.289 251 1HB GLU 32 HB2 GLU 32 59.198 12.344 -5.110 252 2HB GLU 32 HB1 GLU 32 60.260 12.290 -3.701 253 1HG GLU 32 HG2 GLU 32 60.856 11.033 -6.397 254 2HG GLU 32 HG1 GLU 32 61.563 12.530 -5.788 255 H THR 33 HN THR 33 58.649 12.436 -2.808 256 HA THR 33 HA THR 33 58.912 11.556 -0.171 257 HB THR 33 HB THR 33 56.974 13.215 0.272 258 HG1 THR 33 HG1 THR 33 57.450 13.840 -2.438 259 1HG2 THR 33 HG21 THR 33 59.705 13.560 -0.505 260 2HG2 THR 33 HG23 THR 33 58.767 14.896 -1.171 261 3HG2 THR 33 HG22 THR 33 58.736 14.576 0.563 262 H CYS 34 HN CYS 34 58.225 9.327 -0.134 263 HA CYS 34 HA CYS 34 55.546 8.512 -0.761 264 1HB CYS 34 HB2 CYS 34 56.154 6.635 1.014 265 2HB CYS 34 HB1 CYS 34 56.892 6.640 -0.581 266 H GLU 35 HN GLU 35 56.576 8.060 2.592 267 HA GLU 35 HA GLU 35 54.000 8.859 3.574 268 1HB GLU 35 HB2 GLU 35 56.654 8.632 5.003 269 2HB GLU 35 HB1 GLU 35 55.125 8.907 5.825 270 1HG GLU 35 HG2 GLU 35 55.479 6.596 3.929 271 2HG GLU 35 HG1 GLU 35 55.926 6.467 5.631 272 H GLN 36 HN GLN 36 56.986 10.554 2.894 273 HA GLN 36 HA GLN 36 56.535 12.983 4.280 274 1HB GLN 36 HB2 GLN 36 57.854 12.300 1.652 275 2HB GLN 36 HB1 GLN 36 57.638 13.991 2.109 276 1HG GLN 36 HG2 GLN 36 58.859 12.027 4.040 277 2HG GLN 36 HG1 GLN 36 59.848 12.804 2.803 278 1HE2 GLN 36 HE22 GLN 36 59.786 15.991 4.369 279 2HE2 GLN 36 HE21 GLN 36 60.177 15.132 2.958 280 H ARG 37 HN ARG 37 55.254 11.644 1.286 281 HA ARG 37 HA ARG 37 53.593 13.944 0.653 282 1HB ARG 37 HB2 ARG 37 54.126 12.390 -1.139 283 2HB ARG 37 HB1 ARG 37 53.480 11.034 -0.215 284 1HG ARG 37 HG2 ARG 37 51.428 11.430 -1.043 285 2HG ARG 37 HG1 ARG 37 51.461 13.060 -0.369 286 1HD ARG 37 HD2 ARG 37 53.150 12.909 -2.715 287 2HD ARG 37 HD1 ARG 37 51.519 12.358 -3.095 288 HE ARG 37 HE ARG 37 51.730 14.901 -1.604 289 1HH1 ARG 37 HH21 ARG 37 52.074 13.633 -4.734 290 2HH1 ARG 37 HH22 ARG 37 51.003 14.769 -5.483 291 1HH2 ARG 37 HH12 ARG 37 49.996 16.198 -2.489 292 2HH2 ARG 37 HH11 ARG 37 49.826 16.220 -4.212 293 H ALA 38 HN ALA 38 53.262 10.911 2.463 294 HA ALA 38 HA ALA 38 50.543 10.787 3.009 295 1HB ALA 38 HB3 ALA 38 52.309 9.283 4.022 296 2HB ALA 38 HB2 ALA 38 52.668 10.574 5.168 297 3HB ALA 38 HB1 ALA 38 51.081 9.813 5.168 298 H ALA 39 HN ALA 39 52.745 12.469 5.226 299 HA ALA 39 HA ALA 39 51.483 15.005 5.139 300 1HB ALA 39 HB2 ALA 39 50.299 13.078 7.153 301 2HB ALA 39 HB1 ALA 39 50.184 14.829 7.333 302 3HB ALA 39 HB3 ALA 39 49.444 14.035 5.944 303 H ARG 40 HN ARG 40 52.782 12.563 7.306 304 HA ARG 40 HA ARG 40 55.181 13.963 7.926 305 1HB ARG 40 HB2 ARG 40 52.838 14.806 9.450 306 2HB ARG 40 HB1 ARG 40 54.105 14.156 10.493 307 1HG ARG 40 HG2 ARG 40 55.750 15.670 9.428 308 2HG ARG 40 HG1 ARG 40 54.467 16.340 8.420 309 1HD ARG 40 HD2 ARG 40 53.623 17.597 10.113 310 2HD ARG 40 HD1 ARG 40 53.844 16.311 11.300 311 HE ARG 40 HE ARG 40 56.302 17.679 10.406 312 1HH1 ARG 40 HH21 ARG 40 56.363 16.232 12.933 313 2HH1 ARG 40 HH22 ARG 40 56.092 17.466 14.119 314 1HH2 ARG 40 HH12 ARG 40 54.837 19.756 11.839 315 2HH2 ARG 40 HH11 ARG 40 55.230 19.459 13.500 316 H ILE 41 HN ILE 41 56.360 12.095 8.177 317 HA ILE 41 HA ILE 41 55.335 9.604 8.905 318 HB ILE 41 HB ILE 41 57.694 10.005 8.087 319 1HG1 ILE 41 HG12 ILE 41 58.561 8.098 9.352 320 2HG1 ILE 41 HG11 ILE 41 57.322 8.336 10.581 321 1HG2 ILE 41 HG22 ILE 41 57.964 11.736 10.113 322 2HG2 ILE 41 HG21 ILE 41 58.534 10.283 10.934 323 3HG2 ILE 41 HG23 ILE 41 59.339 10.841 9.467 324 1HD1 ILE 41 HD11 ILE 41 56.548 7.996 7.688 325 2HD1 ILE 41 HD13 ILE 41 56.849 6.588 8.706 326 3HD1 ILE 41 HD12 ILE 41 55.570 7.726 9.130 327 H SER 42 HN SER 42 53.904 9.552 10.527 328 HA SER 42 HA SER 42 55.093 9.826 13.182 329 1HB SER 42 HB2 SER 42 53.567 11.340 14.039 330 2HB SER 42 HB1 SER 42 53.797 11.973 12.407 331 HG SER 42 HG SER 42 51.674 11.772 12.423 332 H LEU 43 HN LEU 43 54.719 7.487 12.068 333 HA LEU 43 HA LEU 43 52.290 6.532 13.457 334 1HB LEU 43 HB2 LEU 43 53.496 5.576 10.854 335 2HB LEU 43 HB1 LEU 43 52.354 4.596 11.773 336 HG LEU 43 HG LEU 43 51.337 7.279 11.551 337 1HD1 LEU 43 HD13 LEU 43 52.797 7.324 9.514 338 2HD1 LEU 43 HD12 LEU 43 51.929 5.913 8.909 339 3HD1 LEU 43 HD11 LEU 43 51.077 7.440 9.137 340 1HD2 LEU 43 HD23 LEU 43 50.222 4.934 11.862 341 2HD2 LEU 43 HD22 LEU 43 49.381 6.151 10.903 342 3HD2 LEU 43 HD21 LEU 43 50.277 4.861 10.100 343 H GLY 44 HN GLY 44 55.584 6.635 13.511 344 1HA GLY 44 HA2 GLY 44 56.125 5.101 15.675 345 2HA GLY 44 HA1 GLY 44 55.996 3.855 14.435 346 HA PRO 45 HA PRO 45 60.353 5.763 14.383 347 1HB PRO 45 HB2 PRO 45 61.634 3.801 15.753 348 2HB PRO 45 HB1 PRO 45 60.890 5.195 16.546 349 1HG PRO 45 HG2 PRO 45 59.980 2.385 16.463 350 2HG PRO 45 HG1 PRO 45 59.728 3.619 17.704 351 1HD PRO 45 HD2 PRO 45 57.858 2.792 15.794 352 2HD PRO 45 HD1 PRO 45 57.734 4.223 16.817 353 H ARG 46 HN ARG 46 60.133 2.190 14.605 354 HA ARG 46 HA ARG 46 61.887 1.522 12.566 355 1HB ARG 46 HB2 ARG 46 60.841 -0.595 12.455 356 2HB ARG 46 HB1 ARG 46 60.493 -0.033 14.086 357 1HG ARG 46 HG2 ARG 46 58.563 0.466 11.814 358 2HG ARG 46 HG1 ARG 46 58.532 -1.029 12.742 359 1HD ARG 46 HD2 ARG 46 58.433 1.695 14.048 360 2HD ARG 46 HD1 ARG 46 56.988 0.806 13.579 361 HE ARG 46 HE ARG 46 58.712 -0.868 15.161 362 1HH1 ARG 46 HH12 ARG 46 56.242 1.525 15.167 363 2HH1 ARG 46 HH11 ARG 46 55.876 1.337 16.850 364 1HH2 ARG 46 HH21 ARG 46 58.369 -1.010 17.400 365 2HH2 ARG 46 HH22 ARG 46 57.081 -0.098 18.115 366 H CYS 47 HN CYS 47 58.714 2.878 12.313 367 HA CYS 47 HA CYS 47 58.053 2.344 9.603 368 1HB CYS 47 HB2 CYS 47 57.075 3.955 11.704 369 2HB CYS 47 HB1 CYS 47 57.398 5.057 10.356 370 H ILE 48 HN ILE 48 59.584 5.258 10.940 371 HA ILE 48 HA ILE 48 60.031 6.761 8.757 372 HB ILE 48 HB ILE 48 61.791 6.153 11.101 373 1HG1 ILE 48 HG12 ILE 48 61.323 8.507 11.597 374 2HG1 ILE 48 HG11 ILE 48 60.530 8.700 10.035 375 1HG2 ILE 48 HG21 ILE 48 62.523 7.797 8.678 376 2HG2 ILE 48 HG23 ILE 48 63.265 8.053 10.257 377 3HG2 ILE 48 HG22 ILE 48 63.457 6.505 9.433 378 1HD1 ILE 48 HD11 ILE 48 58.878 6.939 10.729 379 2HD1 ILE 48 HD13 ILE 48 59.617 6.944 12.328 380 3HD1 ILE 48 HD12 ILE 48 58.818 8.392 11.720 381 H LYS 49 HN LYS 49 62.581 4.393 9.640 382 HA LYS 49 HA LYS 49 63.596 4.495 6.902 383 1HB LYS 49 HB2 LYS 49 64.788 4.017 9.296 384 2HB LYS 49 HB1 LYS 49 64.577 2.368 8.707 385 1HG LYS 49 HG2 LYS 49 65.512 4.136 6.594 386 2HG LYS 49 HG1 LYS 49 66.614 4.138 7.971 387 1HD LYS 49 HD2 LYS 49 66.207 1.509 7.848 388 2HD LYS 49 HD1 LYS 49 65.845 1.885 6.163 389 1HE LYS 49 HE2 LYS 49 68.116 1.643 5.945 390 2HE LYS 49 HE1 LYS 49 68.101 3.332 6.454 391 1HZ LYS 49 HZ3 LYS 49 68.178 2.368 8.805 392 2HZ LYS 49 HZ2 LYS 49 68.676 0.925 8.059 393 3HZ LYS 49 HZ1 LYS 49 69.604 2.337 7.888 394 H ALA 50 HN ALA 50 61.259 2.568 8.525 395 HA ALA 50 HA ALA 50 61.659 0.191 6.911 396 1HB ALA 50 HB2 ALA 50 59.310 1.157 8.574 397 2HB ALA 50 HB1 ALA 50 59.358 -0.405 7.758 398 3HB ALA 50 HB3 ALA 50 60.510 -0.045 9.043 399 H PHE 51 HN PHE 51 58.960 2.474 7.070 400 HA PHE 51 HA PHE 51 57.964 1.871 4.519 401 1HB PHE 51 HB2 PHE 51 56.448 3.553 4.886 402 2HB PHE 51 HB1 PHE 51 57.004 3.345 6.539 403 HD1 PHE 51 HD2 PHE 51 57.629 5.358 3.427 404 HD2 PHE 51 HD1 PHE 51 58.000 5.129 7.681 405 HE1 PHE 51 HE2 PHE 51 58.409 7.716 3.510 406 HE2 PHE 51 HE1 PHE 51 58.768 7.467 7.747 407 HZ PHE 51 HZ PHE 51 58.973 8.762 5.675 408 H THR 52 HN THR 52 60.156 4.471 5.596 409 HA THR 52 HA THR 52 60.420 5.725 3.099 410 HB THR 52 HB THR 52 62.490 5.380 5.283 411 HG1 THR 52 HG1 THR 52 61.777 7.680 5.513 412 1HG2 THR 52 HG23 THR 52 63.487 5.942 3.064 413 2HG2 THR 52 HG22 THR 52 62.442 7.360 2.991 414 3HG2 THR 52 HG21 THR 52 63.675 7.236 4.247 415 H GLU 53 HN GLU 53 62.222 2.994 4.448 416 HA GLU 53 HA GLU 53 64.053 2.612 2.322 417 1HB GLU 53 HB2 GLU 53 64.318 1.530 4.494 418 2HB GLU 53 HB1 GLU 53 62.845 0.609 4.208 419 1HG GLU 53 HG2 GLU 53 65.042 -0.607 3.717 420 2HG GLU 53 HG1 GLU 53 63.827 -0.634 2.441 421 H CYS 54 HN CYS 54 61.081 0.731 2.968 422 HA CYS 54 HA CYS 54 61.123 -0.677 0.513 423 1HB CYS 54 HB2 CYS 54 58.928 -0.013 2.458 424 2HB CYS 54 HB1 CYS 54 58.604 -0.929 0.983 425 H CYS 55 HN CYS 55 59.985 2.539 1.273 426 HA CYS 55 HA CYS 55 58.500 2.758 -1.238 427 1HB CYS 55 HB2 CYS 55 57.610 4.639 -0.323 428 2HB CYS 55 HB1 CYS 55 58.370 4.099 1.167 429 H VAL 56 HN VAL 56 61.728 3.359 -0.089 430 HA VAL 56 HA VAL 56 62.482 5.038 -2.356 431 HB VAL 56 HB VAL 56 64.197 3.502 -0.371 432 1HG1 VAL 56 HG12 VAL 56 64.791 5.424 -2.592 433 2HG1 VAL 56 HG11 VAL 56 65.816 5.428 -1.156 434 3HG1 VAL 56 HG13 VAL 56 65.654 3.960 -2.120 435 1HG2 VAL 56 HG23 VAL 56 62.530 5.657 0.121 436 2HG2 VAL 56 HG22 VAL 56 63.939 5.217 1.085 437 3HG2 VAL 56 HG21 VAL 56 64.086 6.430 -0.187 438 H VAL 57 HN VAL 57 63.001 1.658 -1.400 439 HA VAL 57 HA VAL 57 64.426 0.902 -3.761 440 HB VAL 57 HB VAL 57 63.870 -1.393 -3.070 441 1HG1 VAL 57 HG11 VAL 57 65.179 0.562 -1.472 442 2HG1 VAL 57 HG13 VAL 57 64.278 -0.482 -0.373 443 3HG1 VAL 57 HG12 VAL 57 65.460 -1.180 -1.482 444 1HG2 VAL 57 HG21 VAL 57 61.993 0.002 -1.139 445 2HG2 VAL 57 HG23 VAL 57 61.534 -1.074 -2.458 446 3HG2 VAL 57 HG22 VAL 57 62.399 -1.713 -1.062 447 H ALA 58 HN ALA 58 61.065 0.873 -2.707 448 HA ALA 58 HA ALA 58 59.976 -0.185 -5.144 449 1HB ALA 58 HB1 ALA 58 58.728 -0.043 -2.968 450 2HB ALA 58 HB3 ALA 58 58.701 1.711 -3.146 451 3HB ALA 58 HB2 ALA 58 57.847 0.693 -4.306 452 H SER 59 HN SER 59 61.156 2.845 -4.038 453 HA SER 59 HA SER 59 59.920 4.641 -5.858 454 1HB SER 59 HB2 SER 59 61.707 4.789 -3.802 455 2HB SER 59 HB1 SER 59 62.679 5.275 -5.183 456 HG SER 59 HG SER 59 60.619 6.582 -5.640 457 H GLN 60 HN GLN 60 63.062 3.001 -5.982 458 HA GLN 60 HA GLN 60 63.673 3.912 -8.669 459 1HB GLN 60 HB2 GLN 60 64.992 2.536 -6.522 460 2HB GLN 60 HB1 GLN 60 65.188 1.618 -8.016 461 1HG GLN 60 HG2 GLN 60 66.261 3.396 -9.112 462 2HG GLN 60 HG1 GLN 60 65.578 4.598 -8.014 463 1HE2 GLN 60 HE22 GLN 60 68.018 3.962 -5.430 464 2HE2 GLN 60 HE21 GLN 60 66.401 4.424 -5.659 465 H LEU 61 HN LEU 61 62.082 1.173 -7.254 466 HA LEU 61 HA LEU 61 62.289 -0.567 -9.552 467 1HB LEU 61 HB2 LEU 61 60.547 -0.480 -7.091 468 2HB LEU 61 HB1 LEU 61 60.328 -1.714 -8.323 469 HG LEU 61 HG LEU 61 62.744 -1.205 -6.621 470 1HD1 LEU 61 HD13 LEU 61 60.877 -2.633 -5.739 471 2HD1 LEU 61 HD12 LEU 61 61.131 -3.720 -7.106 472 3HD1 LEU 61 HD11 LEU 61 62.405 -3.497 -5.908 473 1HD2 LEU 61 HD22 LEU 61 62.464 -2.669 -9.225 474 2HD2 LEU 61 HD21 LEU 61 63.786 -1.647 -8.666 475 3HD2 LEU 61 HD23 LEU 61 63.593 -3.273 -8.013 476 H ARG 62 HN ARG 62 60.119 1.947 -8.436 477 HA ARG 62 HA ARG 62 58.318 1.445 -10.727 478 1HB ARG 62 HB2 ARG 62 56.741 2.896 -9.660 479 2HB ARG 62 HB1 ARG 62 57.412 1.871 -8.390 480 1HG ARG 62 HG2 ARG 62 58.880 3.616 -7.645 481 2HG ARG 62 HG1 ARG 62 58.507 4.615 -9.046 482 1HD ARG 62 HD2 ARG 62 57.264 5.430 -7.100 483 2HD ARG 62 HD1 ARG 62 56.144 4.760 -8.286 484 HE ARG 62 HE ARG 62 56.846 3.520 -5.682 485 1HH1 ARG 62 HH12 ARG 62 54.306 4.267 -7.630 486 2HH1 ARG 62 HH11 ARG 62 53.571 2.698 -7.628 487 1HH2 ARG 62 HH21 ARG 62 56.283 1.138 -6.132 488 2HH2 ARG 62 HH22 ARG 62 54.691 0.925 -6.780 489 H ALA 63 HN ALA 63 60.961 3.495 -9.859 490 HA ALA 63 HA ALA 63 60.137 5.526 -11.870 491 1HB ALA 63 HB2 ALA 63 62.135 5.469 -9.628 492 2HB ALA 63 HB1 ALA 63 62.367 6.595 -10.966 493 3HB ALA 63 HB3 ALA 63 60.902 6.677 -9.987 494 H ASN 64 HN ASN 64 60.604 3.368 -13.272 495 HA ASN 64 HA ASN 64 62.862 3.955 -14.902 496 1HB ASN 64 HB2 ASN 64 63.876 2.937 -12.695 497 2HB ASN 64 HB1 ASN 64 63.349 1.405 -13.392 498 1HD2 ASN 64 HD22 ASN 64 66.838 2.261 -14.586 499 2HD2 ASN 64 HD21 ASN 64 66.147 2.162 -13.039 500 H ILE 65 HN ILE 65 60.764 1.343 -13.692 501 HA ILE 65 HA ILE 65 60.625 0.282 -16.477 502 HB ILE 65 HB ILE 65 59.299 -1.232 -14.307 503 1HG1 ILE 65 HG12 ILE 65 61.270 -0.423 -13.083 504 2HG1 ILE 65 HG11 ILE 65 61.462 -2.135 -13.466 505 1HG2 ILE 65 HG22 ILE 65 60.359 -1.652 -16.902 506 2HG2 ILE 65 HG21 ILE 65 61.317 -2.636 -15.796 507 3HG2 ILE 65 HG23 ILE 65 59.565 -2.832 -15.860 508 1HD1 ILE 65 HD13 ILE 65 62.504 -0.080 -15.388 509 2HD1 ILE 65 HD12 ILE 65 63.438 -0.458 -13.941 510 3HD1 ILE 65 HD11 ILE 65 63.065 -1.728 -15.105 511 H SER 66 HN SER 66 58.148 -1.041 -16.219 512 HA SER 66 HA SER 66 56.010 0.569 -15.256 513 1HB SER 66 HB2 SER 66 56.666 2.266 -16.836 514 2HB SER 66 HB1 SER 66 56.843 1.078 -18.124 515 HG SER 66 HG SER 66 54.722 2.462 -17.581 516 H HIS 67 HN HIS 67 56.803 -2.212 -15.613 517 HA HIS 67 HA HIS 67 54.319 -3.184 -16.896 518 1HB HIS 67 HB2 HIS 67 56.711 -3.234 -18.289 519 2HB HIS 67 HB1 HIS 67 56.638 -4.845 -17.580 520 HD1 HIS 67 HD1 HIS 67 54.681 -2.522 -19.836 521 HD2 HIS 67 HD2 HIS 67 54.683 -6.532 -18.694 522 HE1 HIS 67 HE1 HIS 67 53.036 -3.702 -21.359 523 H LYS 68 HN LYS 68 55.441 -5.968 -16.743 524 HA LYS 68 HA LYS 68 54.503 -6.803 -14.280 525 1HB LYS 68 HB2 LYS 68 55.590 -8.132 -16.312 526 2HB LYS 68 HB1 LYS 68 57.016 -8.095 -15.274 527 1HG LYS 68 HG2 LYS 68 56.042 -9.421 -13.651 528 2HG LYS 68 HG1 LYS 68 54.409 -8.877 -14.038 529 1HD LYS 68 HD2 LYS 68 54.110 -10.495 -15.603 530 2HD LYS 68 HD1 LYS 68 55.749 -10.318 -16.231 531 1HE LYS 68 HE2 LYS 68 55.340 -12.545 -15.153 532 2HE LYS 68 HE1 LYS 68 56.651 -11.635 -14.399 533 1HZ LYS 68 HZ3 LYS 68 54.266 -10.882 -13.165 534 2HZ LYS 68 HZ2 LYS 68 54.284 -12.580 -13.226 535 3HZ LYS 68 HZ1 LYS 68 55.564 -11.740 -12.491 536 H ASP 69 HN ASP 69 57.859 -5.840 -14.973 537 HA ASP 69 HA ASP 69 58.929 -6.190 -12.411 538 1HB ASP 69 HB2 ASP 69 59.599 -4.384 -14.723 539 2HB ASP 69 HB1 ASP 69 60.449 -4.199 -13.188 540 H MET 70 HN MET 70 57.876 -3.083 -13.860 541 HA MET 70 HA MET 70 57.740 -1.795 -11.263 542 1HB MET 70 HB2 MET 70 58.198 -0.373 -13.114 543 2HB MET 70 HB1 MET 70 56.831 -1.002 -14.033 544 1HG MET 70 HG2 MET 70 55.287 0.241 -12.844 545 2HG MET 70 HG1 MET 70 56.274 0.263 -11.382 546 1HE MET 70 HE3 MET 70 54.841 2.380 -11.840 547 2HE MET 70 HE2 MET 70 55.757 3.870 -12.057 548 3HE MET 70 HE1 MET 70 54.918 3.152 -13.431 549 H GLN 71 HN GLN 71 55.088 -2.189 -13.637 550 HA GLN 71 HA GLN 71 52.882 -1.730 -12.117 551 1HB GLN 71 HB2 GLN 71 52.771 -2.544 -14.448 552 2HB GLN 71 HB1 GLN 71 53.200 -4.165 -13.897 553 1HG GLN 71 HG2 GLN 71 51.093 -4.594 -13.201 554 2HG GLN 71 HG1 GLN 71 50.963 -3.031 -12.394 555 1HE2 GLN 71 HE22 GLN 71 48.538 -3.040 -15.238 556 2HE2 GLN 71 HE21 GLN 71 48.736 -3.963 -13.827 557 H LEU 72 HN LEU 72 54.865 -4.676 -11.905 558 HA LEU 72 HA LEU 72 53.254 -5.492 -9.516 559 1HB LEU 72 HB2 LEU 72 54.415 -6.948 -11.739 560 2HB LEU 72 HB1 LEU 72 55.036 -7.562 -10.207 561 HG LEU 72 HG LEU 72 52.698 -7.750 -9.390 562 1HD1 LEU 72 HD12 LEU 72 51.866 -5.921 -10.902 563 2HD1 LEU 72 HD11 LEU 72 51.979 -7.057 -12.247 564 3HD1 LEU 72 HD13 LEU 72 50.861 -7.370 -10.918 565 1HD2 LEU 72 HD21 LEU 72 53.880 -9.250 -11.611 566 2HD2 LEU 72 HD23 LEU 72 53.056 -9.850 -10.172 567 3HD2 LEU 72 HD22 LEU 72 52.120 -9.362 -11.585 568 H GLY 73 HN GLY 73 56.576 -6.191 -10.488 569 1HA GLY 73 HA2 GLY 73 57.862 -6.340 -8.107 570 2HA GLY 73 HA1 GLY 73 58.615 -5.572 -9.504 571 H ARG 74 HN ARG 74 57.079 -3.292 -9.785 572 HA ARG 74 HA ARG 74 57.501 -1.055 -8.996 573 1HB ARG 74 HB2 ARG 74 55.747 -0.545 -7.308 574 2HB ARG 74 HB1 ARG 74 55.137 -1.529 -8.636 575 1HG ARG 74 HG2 ARG 74 54.427 -3.037 -7.127 576 2HG ARG 74 HG1 ARG 74 56.107 -3.349 -6.700 577 1HD ARG 74 HD2 ARG 74 56.051 -1.944 -4.859 578 2HD ARG 74 HD1 ARG 74 54.772 -0.937 -5.539 579 HE ARG 74 HE ARG 74 53.322 -3.099 -5.129 580 1HH1 ARG 74 HH12 ARG 74 55.901 -4.056 -3.596 581 2HH1 ARG 74 HH11 ARG 74 55.363 -3.822 -1.966 582 1HH2 ARG 74 HH21 ARG 74 52.634 -1.885 -2.868 583 2HH2 ARG 74 HH22 ARG 74 53.512 -2.593 -1.554 No H/Q in entry = 583
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