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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 | stage | position | program | type |
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12386 |
1sw8 ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -19.270 6.582 4.740 2 HA ALA 1 HA ALA 1 -19.435 7.420 2.065 3 1HB ALA 1 1HB ALA 1 -17.472 7.618 3.655 4 2HB ALA 1 2HB ALA 1 -17.186 5.878 3.410 5 3HB ALA 1 3HB ALA 1 -17.064 7.002 2.036 6 H ASP 2 H ASP 2 -20.364 4.503 3.528 7 HA ASP 2 HA ASP 2 -21.303 2.785 2.475 8 1HB ASP 2 1HB ASP 2 -20.917 4.201 0.256 9 2HB ASP 2 2HB ASP 2 -19.564 3.114 0.015 10 H GLN 3 H GLN 3 -17.822 3.564 1.955 11 HA GLN 3 HA GLN 3 -17.185 0.946 3.013 12 1HB GLN 3 1HB GLN 3 -16.147 2.082 0.389 13 2HB GLN 3 2HB GLN 3 -15.281 0.833 1.262 14 1HG GLN 3 1HG GLN 3 -18.006 -0.019 1.175 15 2HG GLN 3 2HG GLN 3 -17.640 0.580 -0.430 16 1HE2 GLN 3 1HE2 GLN 3 -17.907 -1.628 -1.080 17 2HE2 GLN 3 2HE2 GLN 3 -16.599 -2.757 -0.952 18 H LEU 4 H LEU 4 -17.236 3.608 4.210 19 HA LEU 4 HA LEU 4 -15.936 5.151 5.178 20 1HB LEU 4 1HB LEU 4 -14.720 4.256 6.897 21 2HB LEU 4 2HB LEU 4 -15.797 2.939 6.476 22 HG LEU 4 HG LEU 4 -13.614 2.365 4.916 23 1HD1 LEU 4 1HD1 LEU 4 -11.667 3.096 5.730 24 2HD1 LEU 4 2HD1 LEU 4 -12.633 4.336 6.564 25 3HD1 LEU 4 3HD1 LEU 4 -12.169 2.846 7.420 26 1HD2 LEU 4 1HD2 LEU 4 -14.144 1.439 7.753 27 2HD2 LEU 4 2HD2 LEU 4 -14.885 0.784 6.273 28 3HD2 LEU 4 3HD2 LEU 4 -13.136 0.603 6.548 29 H THR 5 H THR 5 -15.354 4.662 2.296 30 HA THR 5 HA THR 5 -12.520 4.753 1.987 31 HB THR 5 HB THR 5 -14.968 5.187 0.227 32 HG1 THR 5 HG1 THR 5 -12.649 3.393 0.399 33 1HG2 THR 5 1HG2 THR 5 -13.703 6.204 -1.379 34 2HG2 THR 5 2HG2 THR 5 -12.317 6.251 -0.263 35 3HG2 THR 5 3HG2 THR 5 -12.562 4.839 -1.319 36 H GLU 6 H GLU 6 -15.070 7.134 2.588 37 HA GLU 6 HA GLU 6 -13.638 9.340 1.680 38 1HB GLU 6 1HB GLU 6 -16.070 9.382 2.093 39 2HB GLU 6 2HB GLU 6 -15.813 9.124 3.807 40 1HG GLU 6 1HG GLU 6 -15.746 11.381 4.040 41 2HG GLU 6 2HG GLU 6 -14.188 11.345 3.239 42 H GLU 7 H GLU 7 -14.205 8.166 5.083 43 HA GLU 7 HA GLU 7 -12.484 9.940 6.262 44 1HB GLU 7 1HB GLU 7 -12.398 8.179 8.128 45 2HB GLU 7 2HB GLU 7 -13.992 8.734 7.657 46 1HG GLU 7 1HG GLU 7 -14.483 6.733 6.466 47 2HG GLU 7 2HG GLU 7 -12.794 6.290 6.318 48 H GLN 8 H GLN 8 -11.870 6.785 4.682 49 HA GLN 8 HA GLN 8 -9.243 6.550 5.631 50 1HB GLN 8 1HB GLN 8 -11.051 5.104 3.850 51 2HB GLN 8 2HB GLN 8 -9.435 5.152 3.172 52 1HG GLN 8 1HG GLN 8 -10.086 4.279 6.028 53 2HG GLN 8 2HG GLN 8 -9.821 3.177 4.691 54 1HE2 GLN 8 1HE2 GLN 8 -8.020 2.203 5.424 55 2HE2 GLN 8 2HE2 GLN 8 -6.485 2.975 5.642 56 H ILE 9 H ILE 9 -10.561 7.458 2.359 57 HA ILE 9 HA ILE 9 -8.239 8.071 1.113 58 HB ILE 9 HB ILE 9 -11.001 9.228 0.947 59 1HG1 ILE 9 1HG1 ILE 9 -10.489 6.887 0.185 60 2HG1 ILE 9 2HG1 ILE 9 -11.189 7.936 -1.031 61 1HG2 ILE 9 1HG2 ILE 9 -10.210 11.067 -0.031 62 2HG2 ILE 9 2HG2 ILE 9 -8.557 10.413 -0.120 63 3HG2 ILE 9 3HG2 ILE 9 -9.741 10.016 -1.388 64 1HD1 ILE 9 1HD1 ILE 9 -9.449 7.244 -2.337 65 2HD1 ILE 9 2HD1 ILE 9 -8.486 8.411 -1.400 66 3HD1 ILE 9 3HD1 ILE 9 -8.501 6.693 -0.935 67 H ALA 10 H ALA 10 -10.066 10.079 3.475 68 HA ALA 10 HA ALA 10 -8.730 12.444 3.219 69 1HB ALA 10 1HB ALA 10 -10.255 12.798 4.834 70 2HB ALA 10 2HB ALA 10 -10.357 11.059 5.200 71 3HB ALA 10 3HB ALA 10 -9.111 12.062 5.982 72 H GLU 11 H GLU 11 -7.857 9.721 5.472 73 HA GLU 11 HA GLU 11 -5.407 10.933 6.119 74 1HB GLU 11 1HB GLU 11 -6.857 8.430 6.772 75 2HB GLU 11 2HB GLU 11 -5.113 8.260 6.799 76 1HG GLU 11 1HG GLU 11 -5.034 10.375 8.257 77 2HG GLU 11 2HG GLU 11 -6.781 10.277 8.368 78 H PHE 12 H PHE 12 -6.406 8.267 3.894 79 HA PHE 12 HA PHE 12 -3.934 7.376 3.139 80 1HB PHE 12 1HB PHE 12 -6.721 7.374 2.250 81 2HB PHE 12 2HB PHE 12 -5.702 7.588 0.841 82 HD1 PHE 12 HD1 PHE 12 -5.730 5.465 3.923 83 HD2 PHE 12 HD2 PHE 12 -5.117 5.666 -0.271 84 HE1 PHE 12 HE1 PHE 12 -5.287 2.995 3.870 85 HE2 PHE 12 HE2 PHE 12 -4.674 3.196 -0.324 86 HZ PHE 12 HZ PHE 12 -4.764 1.890 1.747 87 H LYS 13 H LYS 13 -5.566 10.418 2.334 88 HA LYS 13 HA LYS 13 -4.064 11.000 0.024 89 1HB LYS 13 1HB LYS 13 -6.291 12.018 1.018 90 2HB LYS 13 2HB LYS 13 -5.194 13.136 1.803 91 1HG LYS 13 1HG LYS 13 -5.534 14.264 -0.205 92 2HG LYS 13 2HG LYS 13 -4.116 13.327 -0.630 93 1HD LYS 13 1HD LYS 13 -5.307 11.868 -2.002 94 2HD LYS 13 2HD LYS 13 -6.779 12.002 -1.060 95 1HE LYS 13 1HE LYS 13 -5.692 14.296 -2.756 96 2HE LYS 13 2HE LYS 13 -6.826 13.114 -3.377 97 1HZ LYS 13 1HZ LYS 13 -7.550 15.328 -2.142 98 2HZ LYS 13 2HZ LYS 13 -8.478 13.984 -2.179 99 3HZ LYS 13 3HZ LYS 13 -7.557 14.305 -0.869 100 H GLU 14 H GLU 14 -3.746 12.091 3.476 101 HA GLU 14 HA GLU 14 -1.308 13.381 2.932 102 1HB GLU 14 1HB GLU 14 -3.093 12.961 5.223 103 2HB GLU 14 2HB GLU 14 -1.410 12.873 5.702 104 1HG GLU 14 1HG GLU 14 -1.075 15.063 4.337 105 2HG GLU 14 2HG GLU 14 -2.823 15.174 4.293 106 H ALA 15 H ALA 15 -2.272 10.124 4.034 107 HA ALA 15 HA ALA 15 0.276 9.329 4.935 108 1HB ALA 15 1HB ALA 15 -1.616 8.105 5.687 109 2HB ALA 15 2HB ALA 15 -2.232 7.882 4.031 110 3HB ALA 15 3HB ALA 15 -0.775 7.008 4.565 111 H PHE 16 H PHE 16 -1.473 9.020 1.781 112 HA PHE 16 HA PHE 16 0.102 7.442 0.355 113 1HB PHE 16 1HB PHE 16 -1.755 8.597 -0.683 114 2HB PHE 16 2HB PHE 16 -1.164 10.168 -0.181 115 HD1 PHE 16 HD1 PHE 16 0.051 7.308 -2.266 116 HD2 PHE 16 HD2 PHE 16 -0.349 11.512 -1.855 117 HE1 PHE 16 HE1 PHE 16 1.111 7.629 -4.518 118 HE2 PHE 16 HE2 PHE 16 0.711 11.834 -4.107 119 HZ PHE 16 HZ PHE 16 1.429 9.888 -5.412 120 H SER 17 H SER 17 0.924 10.798 1.360 121 HA SER 17 HA SER 17 3.084 11.219 -0.216 122 1HB SER 17 1HB SER 17 2.865 11.982 2.729 123 2HB SER 17 2HB SER 17 3.858 12.780 1.526 124 HG SER 17 HG SER 17 1.084 12.969 1.991 125 H LEU 18 H LEU 18 2.930 9.522 2.987 126 HA LEU 18 HA LEU 18 5.706 8.953 3.022 127 1HB LEU 18 1HB LEU 18 3.387 7.782 4.563 128 2HB LEU 18 2HB LEU 18 5.075 7.446 4.891 129 HG LEU 18 HG LEU 18 4.070 10.283 4.904 130 1HD1 LEU 18 1HD1 LEU 18 2.851 8.398 6.470 131 2HD1 LEU 18 2HD1 LEU 18 4.157 8.973 7.534 132 3HD1 LEU 18 3HD1 LEU 18 2.985 10.130 6.856 133 1HD2 LEU 18 1HD2 LEU 18 6.387 10.262 5.036 134 2HD2 LEU 18 2HD2 LEU 18 5.893 10.349 6.744 135 3HD2 LEU 18 3HD2 LEU 18 6.423 8.799 6.049 136 H PHE 19 H PHE 19 2.789 6.841 2.502 137 HA PHE 19 HA PHE 19 3.988 4.529 1.887 138 1HB PHE 19 1HB PHE 19 1.663 6.035 0.559 139 2HB PHE 19 2HB PHE 19 1.991 4.353 0.190 140 HD1 PHE 19 HD1 PHE 19 -0.308 6.089 1.765 141 HD2 PHE 19 HD2 PHE 19 2.629 3.204 2.791 142 HE1 PHE 19 HE1 PHE 19 -1.688 5.387 3.741 143 HE2 PHE 19 HE2 PHE 19 1.249 2.501 4.766 144 HZ PHE 19 HZ PHE 19 -0.893 3.601 5.218 145 H ASP 20 H ASP 20 3.825 7.451 -0.177 146 HA ASP 20 HA ASP 20 4.963 6.007 -2.377 147 1HB ASP 20 1HB ASP 20 3.321 8.209 -2.197 148 2HB ASP 20 2HB ASP 20 4.872 8.997 -2.404 149 H LYS 21 H LYS 21 7.093 5.421 -1.585 150 HA LYS 21 HA LYS 21 8.761 7.369 -0.346 151 1HB LYS 21 1HB LYS 21 9.582 4.700 -1.514 152 2HB LYS 21 2HB LYS 21 10.400 5.625 -0.271 153 1HG LYS 21 1HG LYS 21 7.585 4.473 0.014 154 2HG LYS 21 2HG LYS 21 9.032 3.706 0.637 155 1HD LYS 21 1HD LYS 21 9.490 5.703 2.063 156 2HD LYS 21 2HD LYS 21 8.064 6.496 1.424 157 1HE LYS 21 1HE LYS 21 6.576 4.974 2.498 158 2HE LYS 21 2HE LYS 21 7.820 3.759 2.714 159 1HZ LYS 21 1HZ LYS 21 8.438 4.698 4.601 160 2HZ LYS 21 2HZ LYS 21 8.481 6.207 3.979 161 3HZ LYS 21 3HZ LYS 21 7.075 5.595 4.540 162 H ASP 22 H ASP 22 8.897 5.633 -3.540 163 HA ASP 22 HA ASP 22 10.983 7.051 -4.552 164 1HB ASP 22 1HB ASP 22 10.166 6.356 -6.766 165 2HB ASP 22 2HB ASP 22 9.962 5.049 -5.616 166 H GLY 23 H GLY 23 7.406 7.668 -4.782 167 1HA GLY 23 1HA GLY 23 6.378 9.731 -4.758 168 2HA GLY 23 2HA GLY 23 7.911 10.524 -5.064 169 H ASP 24 H ASP 24 6.383 7.771 -6.856 170 HA ASP 24 HA ASP 24 6.420 9.518 -9.190 171 1HB ASP 24 1HB ASP 24 7.084 7.718 -10.510 172 2HB ASP 24 2HB ASP 24 7.868 7.298 -8.999 173 H GLY 25 H GLY 25 4.362 8.641 -6.892 174 1HA GLY 25 1HA GLY 25 2.076 8.713 -6.920 175 2HA GLY 25 2HA GLY 25 2.071 8.510 -8.661 176 H THR 26 H THR 26 4.175 6.165 -7.977 177 HA THR 26 HA THR 26 2.058 4.183 -7.454 178 HB THR 26 HB THR 26 4.674 3.806 -8.994 179 HG1 THR 26 HG1 THR 26 3.426 5.311 -10.176 180 1HG2 THR 26 1HG2 THR 26 3.928 1.652 -9.149 181 2HG2 THR 26 2HG2 THR 26 2.471 2.063 -8.214 182 3HG2 THR 26 3HG2 THR 26 2.478 2.261 -9.982 183 H ILE 27 H ILE 27 2.387 2.542 -5.969 184 HA ILE 27 HA ILE 27 4.670 3.038 -4.201 185 HB ILE 27 HB ILE 27 1.876 2.070 -3.795 186 1HG1 ILE 27 1HG1 ILE 27 2.129 3.586 -1.784 187 2HG1 ILE 27 2HG1 ILE 27 3.699 4.051 -2.408 188 1HG2 ILE 27 1HG2 ILE 27 3.038 1.581 -1.358 189 2HG2 ILE 27 2HG2 ILE 27 2.573 0.346 -2.552 190 3HG2 ILE 27 3HG2 ILE 27 4.250 0.939 -2.492 191 1HD1 ILE 27 1HD1 ILE 27 1.690 4.181 -4.527 192 2HD1 ILE 27 2HD1 ILE 27 1.199 5.157 -3.122 193 3HD1 ILE 27 3HD1 ILE 27 2.763 5.462 -3.914 194 H THR 28 H THR 28 6.374 1.806 -4.853 195 HA THR 28 HA THR 28 5.940 -0.767 -6.050 196 HB THR 28 HB THR 28 8.379 0.880 -5.220 197 HG1 THR 28 HG1 THR 28 7.185 1.574 -7.102 198 1HG2 THR 28 1HG2 THR 28 9.444 -1.198 -5.283 199 2HG2 THR 28 2HG2 THR 28 8.145 -1.943 -6.245 200 3HG2 THR 28 3HG2 THR 28 9.347 -0.895 -7.034 201 H THR 29 H THR 29 6.686 -2.810 -5.251 202 HA THR 29 HA THR 29 5.772 -3.561 -2.850 203 HB THR 29 HB THR 29 7.248 -5.518 -3.119 204 HG1 THR 29 HG1 THR 29 9.018 -5.181 -4.751 205 1HG2 THR 29 1HG2 THR 29 6.588 -6.185 -5.258 206 2HG2 THR 29 2HG2 THR 29 5.527 -4.767 -5.084 207 3HG2 THR 29 3HG2 THR 29 7.052 -4.631 -5.991 208 H LYS 30 H LYS 30 8.973 -2.052 -3.456 209 HA LYS 30 HA LYS 30 9.913 -2.434 -0.835 210 1HB LYS 30 1HB LYS 30 10.674 -0.543 -3.069 211 2HB LYS 30 2HB LYS 30 11.497 -0.545 -1.522 212 1HG LYS 30 1HG LYS 30 12.170 -2.875 -1.791 213 2HG LYS 30 2HG LYS 30 11.145 -3.069 -3.199 214 1HD LYS 30 1HD LYS 30 13.146 -2.675 -4.293 215 2HD LYS 30 2HD LYS 30 12.620 -1.012 -4.120 216 1HE LYS 30 1HE LYS 30 14.235 -0.517 -2.550 217 2HE LYS 30 2HE LYS 30 14.104 -2.078 -1.765 218 1HZ LYS 30 1HZ LYS 30 16.134 -1.404 -3.279 219 2HZ LYS 30 2HZ LYS 30 15.646 -2.954 -3.111 220 3HZ LYS 30 3HZ LYS 30 15.202 -2.096 -4.428 221 H GLU 31 H GLU 31 8.318 0.380 -2.478 222 HA GLU 31 HA GLU 31 8.366 2.108 -0.404 223 1HB GLU 31 1HB GLU 31 6.075 1.690 -2.375 224 2HB GLU 31 2HB GLU 31 6.350 3.145 -1.437 225 1HG GLU 31 1HG GLU 31 8.684 3.263 -2.525 226 2HG GLU 31 2HG GLU 31 8.159 1.983 -3.601 227 H LEU 32 H LEU 32 6.268 -0.738 -0.890 228 HA LEU 32 HA LEU 32 4.449 -0.064 1.181 229 1HB LEU 32 1HB LEU 32 3.998 -1.548 -0.776 230 2HB LEU 32 2HB LEU 32 5.038 -2.758 -0.051 231 HG LEU 32 HG LEU 32 2.370 -1.749 0.938 232 1HD1 LEU 32 1HD1 LEU 32 1.673 -3.530 -0.197 233 2HD1 LEU 32 2HD1 LEU 32 3.335 -4.115 -0.450 234 3HD1 LEU 32 3HD1 LEU 32 2.466 -4.526 1.048 235 1HD2 LEU 32 1HD2 LEU 32 2.778 -3.360 2.888 236 2HD2 LEU 32 2HD2 LEU 32 4.505 -3.218 2.481 237 3HD2 LEU 32 3HD2 LEU 32 3.577 -1.771 2.944 238 H GLY 33 H GLY 33 7.174 -2.460 0.944 239 1HA GLY 33 1HA GLY 33 7.101 -3.244 3.630 240 2HA GLY 33 2HA GLY 33 8.461 -3.387 2.535 241 H THR 34 H THR 34 8.249 -0.294 2.084 242 HA THR 34 HA THR 34 10.203 0.384 4.025 243 HB THR 34 HB THR 34 8.581 2.065 2.040 244 HG1 THR 34 HG1 THR 34 10.735 1.683 0.906 245 1HG2 THR 34 1HG2 THR 34 9.811 3.851 2.752 246 2HG2 THR 34 2HG2 THR 34 10.507 2.846 4.047 247 3HG2 THR 34 3HG2 THR 34 11.306 2.930 2.459 248 H VAL 35 H VAL 35 6.765 1.436 3.550 249 HA VAL 35 HA VAL 35 6.677 3.059 5.795 250 HB VAL 35 HB VAL 35 4.598 1.505 4.264 251 1HG1 VAL 35 1HG1 VAL 35 3.021 1.924 5.784 252 2HG1 VAL 35 2HG1 VAL 35 4.285 2.515 6.890 253 3HG1 VAL 35 3HG1 VAL 35 3.449 3.652 5.806 254 1HG2 VAL 35 1HG2 VAL 35 5.784 4.228 4.143 255 2HG2 VAL 35 2HG2 VAL 35 5.150 3.189 2.844 256 3HG2 VAL 35 3HG2 VAL 35 4.029 4.115 3.871 257 H MET 36 H MET 36 5.711 -0.422 5.406 258 HA MET 36 HA MET 36 4.815 -0.955 7.847 259 1HB MET 36 1HB MET 36 6.767 -2.596 6.141 260 2HB MET 36 2HB MET 36 5.887 -3.272 7.498 261 1HG MET 36 1HG MET 36 4.465 -1.879 5.187 262 2HG MET 36 2HG MET 36 4.840 -3.590 5.148 263 1HE MET 36 1HE MET 36 2.761 -0.834 7.430 264 2HE MET 36 2HE MET 36 2.514 -1.101 5.688 265 3HE MET 36 3HE MET 36 1.292 -1.659 6.856 266 H ARG 37 H ARG 37 8.290 -0.678 6.905 267 HA ARG 37 HA ARG 37 9.345 -1.544 9.280 268 1HB ARG 37 1HB ARG 37 10.258 0.017 6.930 269 2HB ARG 37 2HB ARG 37 11.129 0.430 8.393 270 1HG ARG 37 1HG ARG 37 11.273 -2.217 8.699 271 2HG ARG 37 2HG ARG 37 10.967 -2.237 6.974 272 1HD ARG 37 1HD ARG 37 12.931 -0.265 7.200 273 2HD ARG 37 2HD ARG 37 13.407 -1.405 8.442 274 HE ARG 37 HE ARG 37 12.853 -3.035 6.268 275 1HH1 ARG 37 2HH2 ARG 37 14.930 -0.237 6.760 276 2HH1 ARG 37 1HH2 ARG 37 16.088 -0.728 5.570 277 1HH2 ARG 37 2HH1 ARG 37 14.381 -3.683 4.698 278 2HH2 ARG 37 1HH1 ARG 37 15.774 -2.701 4.389 279 H SER 38 H SER 38 8.326 1.754 8.196 280 HA SER 38 HA SER 38 9.290 3.195 10.291 281 1HB SER 38 1HB SER 38 8.316 4.265 8.338 282 2HB SER 38 2HB SER 38 6.749 3.545 8.649 283 HG SER 38 HG SER 38 7.254 5.900 9.356 284 H LEU 39 H LEU 39 6.791 0.772 10.252 285 HA LEU 39 HA LEU 39 5.533 1.783 12.661 286 1HB LEU 39 1HB LEU 39 4.990 -0.652 10.957 287 2HB LEU 39 2HB LEU 39 4.065 -0.194 12.373 288 HG LEU 39 HG LEU 39 4.288 1.330 9.767 289 1HD1 LEU 39 1HD1 LEU 39 1.816 0.944 9.712 290 2HD1 LEU 39 2HD1 LEU 39 2.801 -0.531 9.566 291 3HD1 LEU 39 3HD1 LEU 39 2.008 -0.139 11.111 292 1HD2 LEU 39 1HD2 LEU 39 4.233 3.035 11.381 293 2HD2 LEU 39 2HD2 LEU 39 2.543 2.843 10.856 294 3HD2 LEU 39 3HD2 LEU 39 3.078 2.151 12.407 295 H GLY 40 H GLY 40 8.464 0.753 12.330 296 1HA GLY 40 1HA GLY 40 9.818 -0.056 14.006 297 2HA GLY 40 2HA GLY 40 8.433 -0.764 14.814 298 H GLN 41 H GLN 41 7.270 -2.225 12.624 299 HA GLN 41 HA GLN 41 8.571 -4.586 12.831 300 1HB GLN 41 1HB GLN 41 6.546 -3.439 10.949 301 2HB GLN 41 2HB GLN 41 7.330 -4.917 10.428 302 1HG GLN 41 1HG GLN 41 6.098 -4.621 13.201 303 2HG GLN 41 2HG GLN 41 5.173 -5.182 11.823 304 1HE2 GLN 41 1HE2 GLN 41 4.880 -7.267 12.052 305 2HE2 GLN 41 2HE2 GLN 41 6.086 -8.460 12.401 306 H ASN 42 H ASN 42 9.284 -5.852 10.596 307 HA ASN 42 HA ASN 42 10.957 -4.162 9.001 308 1HB ASN 42 1HB ASN 42 12.078 -5.364 11.290 309 2HB ASN 42 2HB ASN 42 12.503 -6.482 10.008 310 1HD2 ASN 42 1HD2 ASN 42 12.408 -3.010 10.763 311 2HD2 ASN 42 2HD2 ASN 42 13.869 -2.563 9.948 312 HA PRO 43 HA PRO 43 9.190 -7.991 7.139 313 1HB PRO 43 1HB PRO 43 7.523 -6.835 5.307 314 2HB PRO 43 2HB PRO 43 6.986 -7.373 6.887 315 1HG PRO 43 1HG PRO 43 7.474 -4.617 5.934 316 2HG PRO 43 2HG PRO 43 6.553 -5.151 7.326 317 1HD PRO 43 1HD PRO 43 9.189 -4.020 7.344 318 2HD PRO 43 2HD PRO 43 8.314 -4.659 8.720 319 H THR 44 H THR 44 9.248 -8.827 4.837 320 HA THR 44 HA THR 44 11.487 -7.424 3.531 321 HB THR 44 HB THR 44 11.775 -9.896 2.591 322 HG1 THR 44 HG1 THR 44 9.626 -10.378 3.709 323 1HG2 THR 44 1HG2 THR 44 12.952 -10.604 4.746 324 2HG2 THR 44 2HG2 THR 44 13.460 -9.011 4.135 325 3HG2 THR 44 3HG2 THR 44 12.324 -9.120 5.501 326 H GLU 45 H GLU 45 11.443 -7.051 1.318 327 HA GLU 45 HA GLU 45 8.987 -6.496 0.259 328 1HB GLU 45 1HB GLU 45 10.174 -6.137 -1.861 329 2HB GLU 45 2HB GLU 45 11.128 -5.519 -0.527 330 1HG GLU 45 1HG GLU 45 11.831 -8.293 -0.886 331 2HG GLU 45 2HG GLU 45 11.853 -7.534 -2.465 332 H ALA 46 H ALA 46 10.635 -9.551 0.551 333 HA ALA 46 HA ALA 46 9.557 -10.865 -1.683 334 1HB ALA 46 1HB ALA 46 9.951 -12.855 0.119 335 2HB ALA 46 2HB ALA 46 11.273 -12.084 -0.790 336 3HB ALA 46 3HB ALA 46 10.917 -11.566 0.875 337 H GLU 47 H GLU 47 8.566 -10.980 1.819 338 HA GLU 47 HA GLU 47 6.266 -12.405 1.362 339 1HB GLU 47 1HB GLU 47 7.304 -10.643 3.554 340 2HB GLU 47 2HB GLU 47 5.591 -11.008 3.590 341 1HG GLU 47 1HG GLU 47 7.236 -13.393 3.011 342 2HG GLU 47 2HG GLU 47 7.648 -12.657 4.547 343 H LEU 48 H LEU 48 6.917 -8.879 1.224 344 HA LEU 48 HA LEU 48 4.185 -8.154 0.988 345 1HB LEU 48 1HB LEU 48 6.821 -6.778 0.618 346 2HB LEU 48 2HB LEU 48 5.348 -6.003 0.072 347 HG LEU 48 HG LEU 48 5.906 -5.185 2.259 348 1HD1 LEU 48 1HD1 LEU 48 3.775 -5.111 2.897 349 2HD1 LEU 48 2HD1 LEU 48 3.439 -6.258 1.577 350 3HD1 LEU 48 3HD1 LEU 48 3.728 -6.860 3.227 351 1HD2 LEU 48 1HD2 LEU 48 7.302 -6.804 3.211 352 2HD2 LEU 48 2HD2 LEU 48 5.842 -6.826 4.229 353 3HD2 LEU 48 3HD2 LEU 48 6.097 -8.099 3.011 354 H GLN 49 H GLN 49 6.636 -9.419 -1.185 355 HA GLN 49 HA GLN 49 5.709 -8.381 -3.557 356 1HB GLN 49 1HB GLN 49 7.849 -9.711 -3.122 357 2HB GLN 49 2HB GLN 49 6.876 -11.168 -3.168 358 1HG GLN 49 1HG GLN 49 6.205 -10.747 -5.473 359 2HG GLN 49 2HG GLN 49 6.894 -9.136 -5.443 360 1HE2 GLN 49 1HE2 GLN 49 8.091 -9.750 -7.298 361 2HE2 GLN 49 2HE2 GLN 49 9.557 -10.663 -7.172 362 H ASP 50 H ASP 50 4.552 -11.104 -1.552 363 HA ASP 50 HA ASP 50 2.890 -12.179 -3.534 364 1HB ASP 50 1HB ASP 50 3.722 -13.306 -1.387 365 2HB ASP 50 2HB ASP 50 2.550 -12.346 -0.505 366 H MET 51 H MET 51 2.617 -9.654 -1.010 367 HA MET 51 HA MET 51 -0.186 -9.474 -1.099 368 1HB MET 51 1HB MET 51 2.129 -7.860 -0.006 369 2HB MET 51 2HB MET 51 0.583 -7.043 -0.134 370 1HG MET 51 1HG MET 51 0.275 -9.729 1.028 371 2HG MET 51 2HG MET 51 1.410 -8.764 1.951 372 1HE MET 51 1HE MET 51 -2.477 -7.387 0.345 373 2HE MET 51 2HE MET 51 -1.700 -8.971 0.106 374 3HE MET 51 3HE MET 51 -2.885 -8.750 1.415 375 H ILE 52 H ILE 52 2.446 -7.328 -2.415 376 HA ILE 52 HA ILE 52 0.876 -5.514 -3.702 377 HB ILE 52 HB ILE 52 2.824 -5.261 -5.257 378 1HG1 ILE 52 1HG1 ILE 52 4.880 -6.636 -4.243 379 2HG1 ILE 52 2HG1 ILE 52 3.618 -7.805 -3.906 380 1HG2 ILE 52 1HG2 ILE 52 4.088 -5.336 -2.601 381 2HG2 ILE 52 2HG2 ILE 52 3.820 -3.975 -3.716 382 3HG2 ILE 52 3HG2 ILE 52 2.507 -4.521 -2.645 383 1HD1 ILE 52 1HD1 ILE 52 2.993 -7.050 -6.501 384 2HD1 ILE 52 2HD1 ILE 52 4.772 -6.974 -6.503 385 3HD1 ILE 52 3HD1 ILE 52 3.946 -8.487 -6.058 386 H ASN 53 H ASN 53 1.979 -8.745 -4.894 387 HA ASN 53 HA ASN 53 0.883 -8.490 -7.409 388 1HB ASN 53 1HB ASN 53 2.481 -10.296 -6.699 389 2HB ASN 53 2HB ASN 53 1.230 -11.012 -5.701 390 1HD2 ASN 53 1HD2 ASN 53 1.111 -12.929 -6.744 391 2HD2 ASN 53 2HD2 ASN 53 0.511 -13.144 -8.355 392 H GLU 54 H GLU 54 -0.458 -9.423 -4.221 393 HA GLU 54 HA GLU 54 -2.837 -10.519 -5.229 394 1HB GLU 54 1HB GLU 54 -2.029 -11.103 -3.001 395 2HB GLU 54 2HB GLU 54 -2.087 -9.430 -2.484 396 1HG GLU 54 1HG GLU 54 -4.172 -9.915 -1.702 397 2HG GLU 54 2HG GLU 54 -4.685 -9.817 -3.375 398 H VAL 55 H VAL 55 -2.155 -7.369 -3.529 399 HA VAL 55 HA VAL 55 -4.679 -6.292 -3.953 400 HB VAL 55 HB VAL 55 -3.645 -4.181 -3.387 401 1HG1 VAL 55 1HG1 VAL 55 -3.995 -5.354 -1.432 402 2HG1 VAL 55 2HG1 VAL 55 -2.854 -6.648 -1.871 403 3HG1 VAL 55 3HG1 VAL 55 -2.241 -5.065 -1.335 404 1HG2 VAL 55 1HG2 VAL 55 -1.094 -4.211 -2.978 405 2HG2 VAL 55 2HG2 VAL 55 -1.078 -5.613 -4.074 406 3HG2 VAL 55 3HG2 VAL 55 -1.676 -4.039 -4.651 407 H ASP 56 H ASP 56 -1.629 -6.026 -5.889 408 HA ASP 56 HA ASP 56 -2.343 -4.257 -7.730 409 1HB ASP 56 1HB ASP 56 -0.184 -5.395 -7.779 410 2HB ASP 56 2HB ASP 56 -0.942 -6.938 -8.117 411 H ALA 57 H ALA 57 -4.341 -4.097 -8.778 412 HA ALA 57 HA ALA 57 -5.685 -6.569 -9.548 413 1HB ALA 57 1HB ALA 57 -6.796 -4.674 -8.227 414 2HB ALA 57 2HB ALA 57 -6.725 -3.722 -9.729 415 3HB ALA 57 3HB ALA 57 -7.659 -5.236 -9.678 416 H ASP 58 H ASP 58 -4.840 -3.324 -10.963 417 HA ASP 58 HA ASP 58 -5.530 -3.651 -13.472 418 1HB ASP 58 1HB ASP 58 -3.054 -2.582 -13.913 419 2HB ASP 58 2HB ASP 58 -4.408 -1.662 -13.287 420 H GLY 59 H GLY 59 -2.781 -5.231 -11.789 421 1HA GLY 59 1HA GLY 59 -1.917 -7.305 -12.367 422 2HA GLY 59 2HA GLY 59 -2.533 -7.131 -13.998 423 H ASP 60 H ASP 60 0.235 -6.908 -11.996 424 HA ASP 60 HA ASP 60 1.926 -6.452 -14.099 425 1HB ASP 60 1HB ASP 60 2.750 -4.183 -13.695 426 2HB ASP 60 2HB ASP 60 1.031 -4.119 -14.031 427 H GLY 61 H GLY 61 1.356 -5.572 -10.615 428 1HA GLY 61 1HA GLY 61 2.420 -7.050 -8.977 429 2HA GLY 61 2HA GLY 61 3.885 -6.952 -9.934 430 H THR 62 H THR 62 1.509 -4.366 -9.016 431 HA THR 62 HA THR 62 3.406 -3.204 -7.176 432 HB THR 62 HB THR 62 2.566 -1.656 -9.679 433 HG1 THR 62 HG1 THR 62 4.223 -2.832 -10.552 434 1HG2 THR 62 1HG2 THR 62 4.709 -1.223 -7.531 435 2HG2 THR 62 2HG2 THR 62 4.540 -0.242 -9.007 436 3HG2 THR 62 3HG2 THR 62 3.257 -0.222 -7.772 437 H ILE 63 H ILE 63 2.471 -1.153 -6.181 438 HA ILE 63 HA ILE 63 -0.421 -1.577 -5.943 439 HB ILE 63 HB ILE 63 1.208 -0.084 -3.933 440 1HG1 ILE 63 1HG1 ILE 63 1.159 -3.090 -4.272 441 2HG1 ILE 63 2HG1 ILE 63 2.559 -2.038 -4.224 442 1HG2 ILE 63 1HG2 ILE 63 -1.428 -1.443 -4.087 443 2HG2 ILE 63 2HG2 ILE 63 -0.552 -1.555 -2.541 444 3HG2 ILE 63 3HG2 ILE 63 -0.940 0.039 -3.230 445 1HD1 ILE 63 1HD1 ILE 63 2.624 -2.632 -2.012 446 2HD1 ILE 63 2HD1 ILE 63 1.369 -1.382 -1.833 447 3HD1 ILE 63 3HD1 ILE 63 0.905 -3.093 -1.987 448 H ASP 64 H ASP 64 -1.444 0.676 -5.035 449 HA ASP 64 HA ASP 64 -0.299 2.972 -6.196 450 1HB ASP 64 1HB ASP 64 -2.854 1.882 -7.469 451 2HB ASP 64 2HB ASP 64 -2.095 3.414 -7.856 452 H PHE 65 H PHE 65 -2.264 4.788 -6.186 453 HA PHE 65 HA PHE 65 -3.104 4.994 -3.567 454 1HB PHE 65 1HB PHE 65 -3.194 6.412 -6.066 455 2HB PHE 65 2HB PHE 65 -4.861 6.324 -5.533 456 HD1 PHE 65 HD1 PHE 65 -4.772 6.643 -2.685 457 HD2 PHE 65 HD2 PHE 65 -2.363 8.515 -5.634 458 HE1 PHE 65 HE1 PHE 65 -4.379 8.578 -1.135 459 HE2 PHE 65 HE2 PHE 65 -1.971 10.451 -4.085 460 HZ PHE 65 HZ PHE 65 -2.983 10.459 -1.854 461 HA PRO 66 HA PRO 66 -7.312 3.413 -5.060 462 1HB PRO 66 1HB PRO 66 -7.560 2.300 -7.543 463 2HB PRO 66 2HB PRO 66 -7.944 3.975 -7.201 464 1HG PRO 66 1HG PRO 66 -5.587 2.861 -8.594 465 2HG PRO 66 2HG PRO 66 -6.198 4.504 -8.613 466 1HD PRO 66 1HD PRO 66 -3.931 3.533 -7.149 467 2HD PRO 66 2HD PRO 66 -4.612 5.146 -7.078 468 H GLU 67 H GLU 67 -4.559 1.600 -6.175 469 HA GLU 67 HA GLU 67 -5.759 -0.891 -5.785 470 1HB GLU 67 1HB GLU 67 -2.943 0.123 -6.132 471 2HB GLU 67 2HB GLU 67 -3.162 -1.525 -5.577 472 1HG GLU 67 1HG GLU 67 -4.713 -1.921 -7.552 473 2HG GLU 67 2HG GLU 67 -4.323 -0.313 -8.129 474 H PHE 68 H PHE 68 -3.276 0.878 -3.789 475 HA PHE 68 HA PHE 68 -3.223 -0.847 -1.673 476 1HB PHE 68 1HB PHE 68 -2.014 1.472 -2.352 477 2HB PHE 68 2HB PHE 68 -3.248 2.186 -1.333 478 HD1 PHE 68 HD1 PHE 68 -2.052 2.953 0.515 479 HD2 PHE 68 HD2 PHE 68 -1.429 -1.021 -0.835 480 HE1 PHE 68 HE1 PHE 68 -0.649 2.484 2.543 481 HE2 PHE 68 HE2 PHE 68 -0.026 -1.490 1.192 482 HZ PHE 68 HZ PHE 68 0.348 0.268 2.857 483 H LEU 69 H LEU 69 -5.463 1.937 -2.253 484 HA LEU 69 HA LEU 69 -6.742 2.068 0.118 485 1HB LEU 69 1HB LEU 69 -7.708 3.598 -1.144 486 2HB LEU 69 2HB LEU 69 -7.277 2.765 -2.624 487 HG LEU 69 HG LEU 69 -9.295 1.288 -2.292 488 1HD1 LEU 69 1HD1 LEU 69 -10.315 3.350 -0.355 489 2HD1 LEU 69 2HD1 LEU 69 -10.918 1.708 -0.690 490 3HD1 LEU 69 3HD1 LEU 69 -9.403 1.932 0.218 491 1HD2 LEU 69 1HD2 LEU 69 -10.709 2.748 -3.405 492 2HD2 LEU 69 2HD2 LEU 69 -10.157 4.162 -2.475 493 3HD2 LEU 69 3HD2 LEU 69 -9.102 3.447 -3.718 494 H THR 70 H THR 70 -7.298 -0.345 -2.513 495 HA THR 70 HA THR 70 -9.434 -1.641 -1.207 496 HB THR 70 HB THR 70 -7.457 -2.355 -3.419 497 HG1 THR 70 HG1 THR 70 -9.075 -1.000 -4.181 498 1HG2 THR 70 1HG2 THR 70 -10.010 -3.905 -2.947 499 2HG2 THR 70 2HG2 THR 70 -8.535 -4.405 -3.810 500 3HG2 THR 70 3HG2 THR 70 -8.561 -4.383 -2.030 501 H MET 71 H MET 71 -5.875 -2.259 -1.253 502 HA MET 71 HA MET 71 -5.884 -4.593 0.123 503 1HB MET 71 1HB MET 71 -3.884 -3.423 -0.881 504 2HB MET 71 2HB MET 71 -3.943 -2.230 0.402 505 1HG MET 71 1HG MET 71 -3.874 -4.498 1.922 506 2HG MET 71 2HG MET 71 -3.030 -5.088 0.504 507 1HE MET 71 1HE MET 71 -1.003 -5.441 0.855 508 2HE MET 71 2HE MET 71 -0.235 -4.097 -0.023 509 3HE MET 71 3HE MET 71 0.261 -4.469 1.645 510 H MET 72 H MET 72 -5.496 -1.276 1.581 511 HA MET 72 HA MET 72 -5.514 -2.103 4.184 512 1HB MET 72 1HB MET 72 -5.578 0.342 2.703 513 2HB MET 72 2HB MET 72 -6.934 0.449 3.809 514 1HG MET 72 1HG MET 72 -5.278 1.253 5.220 515 2HG MET 72 2HG MET 72 -5.110 -0.454 5.577 516 1HE MET 72 1HE MET 72 -3.133 0.111 6.544 517 2HE MET 72 2HE MET 72 -1.638 -0.362 5.701 518 3HE MET 72 3HE MET 72 -2.045 1.361 5.893 519 H ALA 73 H ALA 73 -8.318 -0.886 2.210 520 HA ALA 73 HA ALA 73 -10.263 -1.138 4.126 521 1HB ALA 73 1HB ALA 73 -11.511 -1.836 1.738 522 2HB ALA 73 2HB ALA 73 -11.227 -0.179 2.323 523 3HB ALA 73 3HB ALA 73 -10.071 -0.937 1.202 524 H ARG 74 H ARG 74 -9.364 -3.592 1.591 525 HA ARG 74 HA ARG 74 -11.016 -5.543 2.592 526 1HB ARG 74 1HB ARG 74 -8.441 -5.662 0.963 527 2HB ARG 74 2HB ARG 74 -9.336 -7.116 1.355 528 1HG ARG 74 1HG ARG 74 -10.912 -4.834 0.198 529 2HG ARG 74 2HG ARG 74 -9.810 -5.657 -0.887 530 1HD ARG 74 1HD ARG 74 -11.325 -7.590 0.722 531 2HD ARG 74 2HD ARG 74 -12.406 -6.511 -0.137 532 HE ARG 74 HE ARG 74 -10.834 -8.600 -1.317 533 1HH1 ARG 74 2HH2 ARG 74 -11.851 -5.289 -1.938 534 2HH1 ARG 74 1HH2 ARG 74 -11.755 -5.448 -3.660 535 1HH2 ARG 74 2HH1 ARG 74 -10.707 -8.810 -3.588 536 2HH2 ARG 74 1HH1 ARG 74 -11.100 -7.464 -4.605 537 H LYS 75 H LYS 75 -7.991 -4.273 3.778 538 HA LYS 75 HA LYS 75 -6.892 -6.499 5.006 539 1HB LYS 75 1HB LYS 75 -6.077 -4.000 4.682 540 2HB LYS 75 2HB LYS 75 -6.738 -3.796 6.292 541 1HG LYS 75 1HG LYS 75 -4.464 -4.419 6.654 542 2HG LYS 75 2HG LYS 75 -5.378 -5.879 6.980 543 1HD LYS 75 1HD LYS 75 -4.489 -5.479 4.141 544 2HD LYS 75 2HD LYS 75 -3.224 -5.808 5.309 545 1HE LYS 75 1HE LYS 75 -5.122 -7.692 6.033 546 2HE LYS 75 2HE LYS 75 -5.380 -7.599 4.302 547 1HZ LYS 75 1HZ LYS 75 -2.637 -7.737 5.190 548 2HZ LYS 75 2HZ LYS 75 -3.529 -9.094 5.367 549 3HZ LYS 75 3HZ LYS 75 -3.347 -8.424 3.889 550 H MET 76 H MET 76 -9.117 -3.994 6.419 551 HA MET 76 HA MET 76 -9.410 -5.324 8.825 552 1HB MET 76 1HB MET 76 -11.214 -3.732 9.205 553 2HB MET 76 2HB MET 76 -10.033 -2.901 8.212 554 1HG MET 76 1HG MET 76 -11.723 -2.464 6.752 555 2HG MET 76 2HG MET 76 -11.681 -4.161 6.318 556 1HE MET 76 1HE MET 76 -14.551 -5.655 7.077 557 2HE MET 76 2HE MET 76 -15.015 -4.214 6.140 558 3HE MET 76 3HE MET 76 -13.438 -4.990 5.858 559 H LYS 77 H LYS 77 -10.881 -5.845 5.659 560 HA LYS 77 HA LYS 77 -13.216 -7.138 6.473 561 1HB LYS 77 1HB LYS 77 -12.742 -6.275 4.192 562 2HB LYS 77 2HB LYS 77 -11.579 -7.565 3.955 563 1HG LYS 77 1HG LYS 77 -13.550 -8.444 2.987 564 2HG LYS 77 2HG LYS 77 -13.524 -9.192 4.571 565 1HD LYS 77 1HD LYS 77 -15.759 -8.403 4.334 566 2HD LYS 77 2HD LYS 77 -14.994 -7.222 5.378 567 1HE LYS 77 1HE LYS 77 -16.016 -5.802 3.832 568 2HE LYS 77 2HE LYS 77 -14.438 -5.977 3.091 569 1HZ LYS 77 1HZ LYS 77 -16.234 -8.042 2.336 570 2HZ LYS 77 2HZ LYS 77 -16.786 -6.562 1.923 571 3HZ LYS 77 3HZ LYS 77 -15.323 -7.064 1.397 572 H ASP 78 H ASP 78 -9.980 -8.499 5.529 573 HA ASP 78 HA ASP 78 -10.543 -11.101 5.921 574 1HB ASP 78 1HB ASP 78 -8.257 -9.554 5.502 575 2HB ASP 78 2HB ASP 78 -7.925 -10.288 7.058 576 H THR 79 H THR 79 -9.026 -8.829 8.347 577 HA THR 79 HA THR 79 -9.122 -10.571 10.513 578 HB THR 79 HB THR 79 -8.778 -8.454 11.808 579 HG1 THR 79 HG1 THR 79 -9.047 -6.476 10.518 580 1HG2 THR 79 1HG2 THR 79 -7.412 -8.041 9.118 581 2HG2 THR 79 2HG2 THR 79 -6.777 -7.698 10.745 582 3HG2 THR 79 3HG2 THR 79 -6.926 -9.381 10.184 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -20.018 6.295 -1.118 2 HA ALA 1 HA ALA 1 -17.725 5.743 -0.451 3 1HB ALA 1 1HB ALA 1 -16.029 7.294 -0.610 4 2HB ALA 1 2HB ALA 1 -17.050 7.857 -1.955 5 3HB ALA 1 3HB ALA 1 -17.123 8.678 -0.377 6 H ASP 2 H ASP 2 -20.221 5.811 0.731 7 HA ASP 2 HA ASP 2 -19.828 7.528 3.045 8 1HB ASP 2 1HB ASP 2 -22.284 6.015 2.040 9 2HB ASP 2 2HB ASP 2 -22.252 6.938 3.529 10 H GLN 3 H GLN 3 -18.248 5.098 2.646 11 HA GLN 3 HA GLN 3 -19.444 3.397 4.694 12 1HB GLN 3 1HB GLN 3 -18.651 2.691 2.078 13 2HB GLN 3 2HB GLN 3 -17.362 2.088 3.100 14 1HG GLN 3 1HG GLN 3 -20.147 1.590 4.087 15 2HG GLN 3 2HG GLN 3 -19.686 0.721 2.637 16 1HE2 GLN 3 1HE2 GLN 3 -20.047 0.191 5.682 17 2HE2 GLN 3 2HE2 GLN 3 -18.705 -0.823 6.094 18 H LEU 4 H LEU 4 -16.342 4.594 3.245 19 HA LEU 4 HA LEU 4 -15.273 5.323 5.710 20 1HB LEU 4 1HB LEU 4 -13.910 3.636 6.384 21 2HB LEU 4 2HB LEU 4 -15.301 2.732 5.819 22 HG LEU 4 HG LEU 4 -13.044 3.225 3.910 23 1HD1 LEU 4 1HD1 LEU 4 -12.814 0.757 5.521 24 2HD1 LEU 4 2HD1 LEU 4 -11.556 1.824 4.853 25 3HD1 LEU 4 3HD1 LEU 4 -12.391 2.269 6.360 26 1HD2 LEU 4 1HD2 LEU 4 -14.560 0.660 4.232 27 2HD2 LEU 4 2HD2 LEU 4 -15.348 2.058 3.463 28 3HD2 LEU 4 3HD2 LEU 4 -13.847 1.393 2.775 29 H THR 5 H THR 5 -14.749 4.147 2.361 30 HA THR 5 HA THR 5 -12.310 5.050 1.733 31 HB THR 5 HB THR 5 -14.972 5.224 0.251 32 HG1 THR 5 HG1 THR 5 -14.155 3.232 -0.474 33 1HG2 THR 5 1HG2 THR 5 -12.146 5.581 -0.879 34 2HG2 THR 5 2HG2 THR 5 -13.644 5.457 -1.832 35 3HG2 THR 5 3HG2 THR 5 -13.369 6.871 -0.787 36 H GLU 6 H GLU 6 -15.098 7.082 2.586 37 HA GLU 6 HA GLU 6 -14.060 9.457 1.607 38 1HB GLU 6 1HB GLU 6 -16.404 9.255 2.241 39 2HB GLU 6 2HB GLU 6 -15.981 8.881 3.900 40 1HG GLU 6 1HG GLU 6 -15.306 11.097 4.377 41 2HG GLU 6 2HG GLU 6 -15.001 11.478 2.693 42 H GLU 7 H GLU 7 -14.086 8.188 5.023 43 HA GLU 7 HA GLU 7 -12.305 10.187 5.875 44 1HB GLU 7 1HB GLU 7 -12.221 8.823 7.985 45 2HB GLU 7 2HB GLU 7 -13.851 9.191 7.457 46 1HG GLU 7 1HG GLU 7 -14.340 6.992 6.958 47 2HG GLU 7 2HG GLU 7 -12.730 6.656 6.352 48 H GLN 8 H GLN 8 -11.961 6.972 4.448 49 HA GLN 8 HA GLN 8 -9.346 6.525 5.362 50 1HB GLN 8 1HB GLN 8 -11.308 5.199 3.669 51 2HB GLN 8 2HB GLN 8 -9.731 5.131 2.909 52 1HG GLN 8 1HG GLN 8 -9.897 3.190 4.337 53 2HG GLN 8 2HG GLN 8 -8.774 4.290 5.112 54 1HE2 GLN 8 1HE2 GLN 8 -9.204 3.216 7.075 55 2HE2 GLN 8 2HE2 GLN 8 -10.618 3.556 8.016 56 H ILE 9 H ILE 9 -10.639 7.478 2.092 57 HA ILE 9 HA ILE 9 -8.179 7.959 0.932 58 HB ILE 9 HB ILE 9 -9.394 9.168 -0.746 59 1HG1 ILE 9 1HG1 ILE 9 -12.039 9.280 -0.093 60 2HG1 ILE 9 2HG1 ILE 9 -11.311 9.642 1.460 61 1HG2 ILE 9 1HG2 ILE 9 -9.782 6.996 -1.242 62 2HG2 ILE 9 2HG2 ILE 9 -10.462 6.629 0.362 63 3HG2 ILE 9 3HG2 ILE 9 -11.459 7.452 -0.861 64 1HD1 ILE 9 1HD1 ILE 9 -9.773 11.158 -0.325 65 2HD1 ILE 9 2HD1 ILE 9 -11.425 11.288 -0.975 66 3HD1 ILE 9 3HD1 ILE 9 -11.088 11.773 0.704 67 H ALA 10 H ALA 10 -9.854 9.684 3.442 68 HA ALA 10 HA ALA 10 -8.781 12.249 2.919 69 1HB ALA 10 1HB ALA 10 -10.787 11.422 4.421 70 2HB ALA 10 2HB ALA 10 -9.528 11.269 5.670 71 3HB ALA 10 3HB ALA 10 -9.838 12.847 4.907 72 H GLU 11 H GLU 11 -7.919 9.689 5.359 73 HA GLU 11 HA GLU 11 -5.553 11.044 6.051 74 1HB GLU 11 1HB GLU 11 -6.864 8.440 6.737 75 2HB GLU 11 2HB GLU 11 -5.135 8.530 7.006 76 1HG GLU 11 1HG GLU 11 -5.396 10.511 8.433 77 2HG GLU 11 2HG GLU 11 -7.101 10.621 8.046 78 H PHE 12 H PHE 12 -6.348 8.208 3.959 79 HA PHE 12 HA PHE 12 -3.837 7.325 3.388 80 1HB PHE 12 1HB PHE 12 -6.464 7.632 1.867 81 2HB PHE 12 2HB PHE 12 -5.082 6.971 1.015 82 HD1 PHE 12 HD1 PHE 12 -5.926 6.396 4.579 83 HD2 PHE 12 HD2 PHE 12 -5.811 4.763 0.664 84 HE1 PHE 12 HE1 PHE 12 -6.437 4.123 5.512 85 HE2 PHE 12 HE2 PHE 12 -6.323 2.490 1.597 86 HZ PHE 12 HZ PHE 12 -6.629 2.197 4.010 87 H LYS 13 H LYS 13 -5.486 10.266 2.229 88 HA LYS 13 HA LYS 13 -3.892 10.792 0.020 89 1HB LYS 13 1HB LYS 13 -6.071 11.902 0.795 90 2HB LYS 13 2HB LYS 13 -5.075 12.895 1.840 91 1HG LYS 13 1HG LYS 13 -3.977 13.948 0.027 92 2HG LYS 13 2HG LYS 13 -4.335 12.642 -1.085 93 1HD LYS 13 1HD LYS 13 -6.856 13.658 -0.158 94 2HD LYS 13 2HD LYS 13 -5.870 15.048 -0.565 95 1HE LYS 13 1HE LYS 13 -5.336 13.376 -2.706 96 2HE LYS 13 2HE LYS 13 -6.994 12.937 -2.344 97 1HZ LYS 13 1HZ LYS 13 -7.650 15.173 -2.580 98 2HZ LYS 13 2HZ LYS 13 -6.114 15.720 -2.653 99 3HZ LYS 13 3HZ LYS 13 -6.723 14.831 -3.880 100 H GLU 14 H GLU 14 -3.566 12.079 3.407 101 HA GLU 14 HA GLU 14 -1.072 13.212 2.852 102 1HB GLU 14 1HB GLU 14 -2.839 12.843 5.199 103 2HB GLU 14 2HB GLU 14 -1.136 12.870 5.611 104 1HG GLU 14 1HG GLU 14 -1.097 15.121 5.369 105 2HG GLU 14 2HG GLU 14 -1.558 14.959 3.686 106 H ALA 15 H ALA 15 -2.153 10.002 3.923 107 HA ALA 15 HA ALA 15 0.314 9.126 4.953 108 1HB ALA 15 1HB ALA 15 -0.759 7.071 5.154 109 2HB ALA 15 2HB ALA 15 -2.150 8.180 5.106 110 3HB ALA 15 3HB ALA 15 -1.677 7.282 3.644 111 H PHE 16 H PHE 16 -1.207 9.034 1.681 112 HA PHE 16 HA PHE 16 0.379 7.402 0.310 113 1HB PHE 16 1HB PHE 16 -1.479 9.024 -0.466 114 2HB PHE 16 2HB PHE 16 -0.286 10.308 -0.457 115 HD1 PHE 16 HD1 PHE 16 -0.405 6.810 -1.784 116 HD2 PHE 16 HD2 PHE 16 0.411 10.901 -2.560 117 HE1 PHE 16 HE1 PHE 16 0.231 6.236 -4.143 118 HE2 PHE 16 HE2 PHE 16 1.047 10.327 -4.919 119 HZ PHE 16 HZ PHE 16 0.950 8.001 -5.683 120 H SER 17 H SER 17 1.274 10.725 1.401 121 HA SER 17 HA SER 17 3.571 11.045 0.025 122 1HB SER 17 1HB SER 17 2.436 12.650 1.661 123 2HB SER 17 2HB SER 17 3.225 11.780 2.962 124 HG SER 17 HG SER 17 5.170 12.603 2.416 125 H LEU 18 H LEU 18 3.176 9.459 3.277 126 HA LEU 18 HA LEU 18 5.889 8.692 3.431 127 1HB LEU 18 1HB LEU 18 3.455 7.656 4.891 128 2HB LEU 18 2HB LEU 18 5.119 7.315 5.320 129 HG LEU 18 HG LEU 18 3.970 10.115 5.246 130 1HD1 LEU 18 1HD1 LEU 18 2.746 9.503 7.017 131 2HD1 LEU 18 2HD1 LEU 18 3.658 7.992 7.253 132 3HD1 LEU 18 3HD1 LEU 18 4.291 9.524 7.902 133 1HD2 LEU 18 1HD2 LEU 18 5.922 10.846 6.254 134 2HD2 LEU 18 2HD2 LEU 18 6.362 9.221 6.831 135 3HD2 LEU 18 3HD2 LEU 18 6.516 9.624 5.104 136 H PHE 19 H PHE 19 2.869 6.754 2.828 137 HA PHE 19 HA PHE 19 3.941 4.357 2.323 138 1HB PHE 19 1HB PHE 19 1.769 5.988 0.895 139 2HB PHE 19 2HB PHE 19 2.023 4.299 0.504 140 HD1 PHE 19 HD1 PHE 19 -0.346 5.971 1.888 141 HD2 PHE 19 HD2 PHE 19 2.590 3.220 3.236 142 HE1 PHE 19 HE1 PHE 19 -1.843 5.306 3.790 143 HE2 PHE 19 HE2 PHE 19 1.093 2.554 5.138 144 HZ PHE 19 HZ PHE 19 -1.105 3.605 5.392 145 H ASP 20 H ASP 20 3.761 7.112 -0.019 146 HA ASP 20 HA ASP 20 5.113 5.540 -1.984 147 1HB ASP 20 1HB ASP 20 3.326 7.530 -2.218 148 2HB ASP 20 2HB ASP 20 4.761 8.535 -2.186 149 H LYS 21 H LYS 21 7.295 5.178 -1.392 150 HA LYS 21 HA LYS 21 8.801 7.181 -0.037 151 1HB LYS 21 1HB LYS 21 9.832 4.666 -1.369 152 2HB LYS 21 2HB LYS 21 10.585 5.581 -0.079 153 1HG LYS 21 1HG LYS 21 7.862 4.221 0.176 154 2HG LYS 21 2HG LYS 21 9.367 3.485 0.688 155 1HD LYS 21 1HD LYS 21 9.728 5.128 2.398 156 2HD LYS 21 2HD LYS 21 8.559 6.234 1.705 157 1HE LYS 21 1HE LYS 21 6.758 4.458 2.189 158 2HE LYS 21 2HE LYS 21 7.975 3.581 3.097 159 1HZ LYS 21 1HZ LYS 21 7.862 6.328 3.801 160 2HZ LYS 21 2HZ LYS 21 6.438 5.570 4.053 161 3HZ LYS 21 3HZ LYS 21 7.798 5.007 4.760 162 H ASP 22 H ASP 22 9.022 5.677 -3.341 163 HA ASP 22 HA ASP 22 10.998 7.231 -4.307 164 1HB ASP 22 1HB ASP 22 8.530 6.017 -5.585 165 2HB ASP 22 2HB ASP 22 9.620 6.978 -6.564 166 H GLY 23 H GLY 23 7.434 7.770 -4.913 167 1HA GLY 23 1HA GLY 23 6.337 9.813 -4.532 168 2HA GLY 23 2HA GLY 23 7.862 10.667 -4.654 169 H ASP 24 H ASP 24 6.527 8.116 -6.848 170 HA ASP 24 HA ASP 24 6.707 10.106 -8.966 171 1HB ASP 24 1HB ASP 24 6.624 7.900 -10.415 172 2HB ASP 24 2HB ASP 24 8.123 8.370 -9.639 173 H GLY 25 H GLY 25 4.660 7.966 -7.089 174 1HA GLY 25 1HA GLY 25 2.288 8.503 -7.161 175 2HA GLY 25 2HA GLY 25 2.391 8.506 -8.911 176 H THR 26 H THR 26 4.129 6.164 -6.826 177 HA THR 26 HA THR 26 2.139 4.126 -7.135 178 HB THR 26 HB THR 26 3.851 2.687 -8.496 179 HG1 THR 26 HG1 THR 26 4.640 5.459 -9.054 180 1HG2 THR 26 1HG2 THR 26 2.965 3.402 -10.584 181 2HG2 THR 26 2HG2 THR 26 1.718 3.946 -9.436 182 3HG2 THR 26 3HG2 THR 26 2.905 5.107 -10.075 183 H ILE 27 H ILE 27 2.241 2.788 -5.435 184 HA ILE 27 HA ILE 27 4.547 3.084 -3.702 185 HB ILE 27 HB ILE 27 1.754 2.064 -3.422 186 1HG1 ILE 27 1HG1 ILE 27 1.996 3.534 -1.321 187 2HG1 ILE 27 2HG1 ILE 27 3.490 4.109 -2.035 188 1HG2 ILE 27 1HG2 ILE 27 2.426 0.341 -2.169 189 2HG2 ILE 27 2HG2 ILE 27 4.097 0.944 -2.068 190 3HG2 ILE 27 3HG2 ILE 27 2.858 1.565 -0.950 191 1HD1 ILE 27 1HD1 ILE 27 0.765 4.860 -2.682 192 2HD1 ILE 27 2HD1 ILE 27 2.287 5.564 -3.281 193 3HD1 ILE 27 3HD1 ILE 27 1.552 4.181 -4.127 194 H THR 28 H THR 28 6.078 2.007 -5.152 195 HA THR 28 HA THR 28 5.764 -0.543 -6.159 196 HB THR 28 HB THR 28 8.221 0.982 -5.151 197 HG1 THR 28 HG1 THR 28 8.235 1.488 -7.459 198 1HG2 THR 28 1HG2 THR 28 7.909 -1.582 -6.764 199 2HG2 THR 28 2HG2 THR 28 9.282 -0.489 -7.059 200 3HG2 THR 28 3HG2 THR 28 9.065 -1.232 -5.456 201 H THR 29 H THR 29 6.582 -2.626 -5.484 202 HA THR 29 HA THR 29 5.628 -3.474 -3.082 203 HB THR 29 HB THR 29 6.938 -5.498 -3.551 204 HG1 THR 29 HG1 THR 29 8.365 -3.593 -5.273 205 1HG2 THR 29 1HG2 THR 29 6.703 -4.355 -6.338 206 2HG2 THR 29 2HG2 THR 29 6.229 -5.962 -5.739 207 3HG2 THR 29 3HG2 THR 29 5.211 -4.545 -5.388 208 H LYS 30 H LYS 30 8.936 -2.227 -3.776 209 HA LYS 30 HA LYS 30 9.940 -2.782 -1.221 210 1HB LYS 30 1HB LYS 30 11.758 -1.285 -1.850 211 2HB LYS 30 2HB LYS 30 11.362 -2.375 -3.163 212 1HG LYS 30 1HG LYS 30 9.706 -0.312 -3.814 213 2HG LYS 30 2HG LYS 30 10.942 0.591 -2.961 214 1HD LYS 30 1HD LYS 30 11.794 -1.445 -5.031 215 2HD LYS 30 2HD LYS 30 11.171 0.100 -5.574 216 1HE LYS 30 1HE LYS 30 12.881 1.125 -3.834 217 2HE LYS 30 2HE LYS 30 13.644 -0.451 -3.903 218 1HZ LYS 30 1HZ LYS 30 13.146 0.265 -6.499 219 2HZ LYS 30 2HZ LYS 30 13.733 1.615 -5.791 220 3HZ LYS 30 3HZ LYS 30 14.597 0.229 -5.750 221 H GLU 31 H GLU 31 8.214 0.046 -2.627 222 HA GLU 31 HA GLU 31 8.584 1.749 -0.506 223 1HB GLU 31 1HB GLU 31 6.262 1.494 -2.463 224 2HB GLU 31 2HB GLU 31 6.443 2.842 -1.357 225 1HG GLU 31 1HG GLU 31 8.667 3.377 -2.352 226 2HG GLU 31 2HG GLU 31 8.521 2.009 -3.437 227 H LEU 32 H LEU 32 6.126 -0.823 -1.062 228 HA LEU 32 HA LEU 32 4.530 -0.187 1.154 229 1HB LEU 32 1HB LEU 32 3.963 -1.604 -0.856 230 2HB LEU 32 2HB LEU 32 4.899 -2.894 -0.127 231 HG LEU 32 HG LEU 32 2.331 -1.659 0.869 232 1HD1 LEU 32 1HD1 LEU 32 2.533 -4.558 0.844 233 2HD1 LEU 32 2HD1 LEU 32 1.336 -3.484 0.079 234 3HD1 LEU 32 3HD1 LEU 32 2.863 -3.854 -0.758 235 1HD2 LEU 32 1HD2 LEU 32 3.467 -1.798 2.887 236 2HD2 LEU 32 2HD2 LEU 32 2.638 -3.371 2.791 237 3HD2 LEU 32 3HD2 LEU 32 4.371 -3.252 2.400 238 H GLY 33 H GLY 33 7.372 -2.364 0.705 239 1HA GLY 33 1HA GLY 33 7.307 -3.389 3.358 240 2HA GLY 33 2HA GLY 33 8.621 -3.495 2.205 241 H THR 34 H THR 34 8.502 -0.415 1.858 242 HA THR 34 HA THR 34 10.469 0.155 3.833 243 HB THR 34 HB THR 34 8.978 1.856 1.766 244 HG1 THR 34 HG1 THR 34 10.344 0.182 0.893 245 1HG2 THR 34 1HG2 THR 34 10.052 3.283 3.542 246 2HG2 THR 34 2HG2 THR 34 11.579 2.404 3.292 247 3HG2 THR 34 3HG2 THR 34 10.906 3.408 1.986 248 H VAL 35 H VAL 35 7.181 1.579 3.236 249 HA VAL 35 HA VAL 35 7.096 3.124 5.493 250 HB VAL 35 HB VAL 35 5.506 3.199 3.641 251 1HG1 VAL 35 1HG1 VAL 35 4.344 0.641 4.796 252 2HG1 VAL 35 2HG1 VAL 35 3.700 1.576 3.425 253 3HG1 VAL 35 3HG1 VAL 35 5.277 0.762 3.284 254 1HG2 VAL 35 1HG2 VAL 35 4.990 4.020 6.031 255 2HG2 VAL 35 2HG2 VAL 35 3.630 3.845 4.896 256 3HG2 VAL 35 3HG2 VAL 35 3.916 2.604 6.140 257 H MET 36 H MET 36 6.001 -0.314 5.095 258 HA MET 36 HA MET 36 4.996 -0.798 7.503 259 1HB MET 36 1HB MET 36 6.929 -2.495 5.836 260 2HB MET 36 2HB MET 36 6.065 -3.150 7.212 261 1HG MET 36 1HG MET 36 4.546 -1.727 4.998 262 2HG MET 36 2HG MET 36 5.020 -3.403 4.803 263 1HE MET 36 1HE MET 36 2.275 -5.229 6.351 264 2HE MET 36 2HE MET 36 3.222 -4.847 4.893 265 3HE MET 36 3HE MET 36 4.044 -5.432 6.360 266 H ARG 37 H ARG 37 8.519 -0.698 6.693 267 HA ARG 37 HA ARG 37 9.403 -1.529 9.164 268 1HB ARG 37 1HB ARG 37 10.685 0.307 7.083 269 2HB ARG 37 2HB ARG 37 11.554 -0.297 8.479 270 1HG ARG 37 1HG ARG 37 10.452 -2.634 7.482 271 2HG ARG 37 2HG ARG 37 10.718 -1.728 6.006 272 1HD ARG 37 1HD ARG 37 12.974 -1.706 7.986 273 2HD ARG 37 2HD ARG 37 12.654 -3.240 7.202 274 HE ARG 37 HE ARG 37 13.247 -2.296 5.096 275 1HH1 ARG 37 2HH2 ARG 37 13.278 0.129 7.646 276 2HH1 ARG 37 1HH2 ARG 37 14.138 1.298 6.700 277 1HH2 ARG 37 2HH1 ARG 37 14.382 -0.754 3.847 278 2HH2 ARG 37 1HH1 ARG 37 14.770 0.792 4.525 279 H SER 38 H SER 38 8.752 1.774 7.827 280 HA SER 38 HA SER 38 9.699 3.208 9.963 281 1HB SER 38 1HB SER 38 8.817 3.958 7.610 282 2HB SER 38 2HB SER 38 7.249 4.053 8.386 283 HG SER 38 HG SER 38 7.823 5.897 9.301 284 H LEU 39 H LEU 39 6.933 1.118 9.706 285 HA LEU 39 HA LEU 39 5.519 2.423 11.875 286 1HB LEU 39 1HB LEU 39 4.920 0.031 10.137 287 2HB LEU 39 2HB LEU 39 3.917 0.507 11.493 288 HG LEU 39 HG LEU 39 4.525 2.291 9.121 289 1HD1 LEU 39 1HD1 LEU 39 2.335 1.764 8.267 290 2HD1 LEU 39 2HD1 LEU 39 3.258 0.256 8.479 291 3HD1 LEU 39 3HD1 LEU 39 2.001 0.704 9.657 292 1HD2 LEU 39 1HD2 LEU 39 3.419 3.933 10.146 293 2HD2 LEU 39 2HD2 LEU 39 2.120 2.842 10.683 294 3HD2 LEU 39 3HD2 LEU 39 3.615 2.983 11.638 295 H GLY 40 H GLY 40 8.301 1.234 12.157 296 1HA GLY 40 1HA GLY 40 9.282 0.364 14.038 297 2HA GLY 40 2HA GLY 40 7.731 -0.231 14.597 298 H GLN 41 H GLN 41 6.828 -1.747 12.392 299 HA GLN 41 HA GLN 41 8.052 -4.133 12.838 300 1HB GLN 41 1HB GLN 41 6.338 -3.102 10.559 301 2HB GLN 41 2HB GLN 41 6.937 -4.749 10.543 302 1HG GLN 41 1HG GLN 41 5.487 -3.628 12.972 303 2HG GLN 41 2HG GLN 41 4.599 -4.299 11.619 304 1HE2 GLN 41 1HE2 GLN 41 4.805 -5.209 14.375 305 2HE2 GLN 41 2HE2 GLN 41 5.390 -6.839 14.345 306 H ASN 42 H ASN 42 8.747 -5.436 10.504 307 HA ASN 42 HA ASN 42 10.585 -3.887 9.011 308 1HB ASN 42 1HB ASN 42 11.674 -4.663 11.371 309 2HB ASN 42 2HB ASN 42 11.918 -6.160 10.493 310 1HD2 ASN 42 1HD2 ASN 42 12.533 -2.698 10.518 311 2HD2 ASN 42 2HD2 ASN 42 13.946 -2.698 9.517 312 HA PRO 43 HA PRO 43 8.933 -7.883 7.368 313 1HB PRO 43 1HB PRO 43 7.211 -6.909 5.483 314 2HB PRO 43 2HB PRO 43 6.702 -7.388 7.090 315 1HG PRO 43 1HG PRO 43 7.053 -4.666 5.991 316 2HG PRO 43 2HG PRO 43 6.160 -5.169 7.413 317 1HD PRO 43 1HD PRO 43 8.737 -3.911 7.362 318 2HD PRO 43 2HD PRO 43 7.895 -4.519 8.773 319 H THR 44 H THR 44 9.080 -8.867 5.153 320 HA THR 44 HA THR 44 11.324 -7.507 3.833 321 HB THR 44 HB THR 44 11.524 -9.934 2.839 322 HG1 THR 44 HG1 THR 44 10.433 -11.389 4.525 323 1HG2 THR 44 1HG2 THR 44 13.002 -10.471 4.534 324 2HG2 THR 44 2HG2 THR 44 12.658 -8.819 5.101 325 3HG2 THR 44 3HG2 THR 44 11.783 -10.201 5.803 326 H GLU 45 H GLU 45 11.416 -7.375 1.517 327 HA GLU 45 HA GLU 45 8.939 -6.583 0.474 328 1HB GLU 45 1HB GLU 45 10.212 -6.138 -1.596 329 2HB GLU 45 2HB GLU 45 11.066 -5.527 -0.193 330 1HG GLU 45 1HG GLU 45 12.775 -7.078 -0.374 331 2HG GLU 45 2HG GLU 45 11.715 -8.345 -0.959 332 H ALA 46 H ALA 46 10.570 -9.641 0.701 333 HA ALA 46 HA ALA 46 9.573 -10.834 -1.653 334 1HB ALA 46 1HB ALA 46 10.002 -12.632 0.624 335 2HB ALA 46 2HB ALA 46 10.857 -12.544 -0.934 336 3HB ALA 46 3HB ALA 46 11.341 -11.479 0.408 337 H GLU 47 H GLU 47 8.543 -11.157 1.825 338 HA GLU 47 HA GLU 47 6.285 -12.607 1.279 339 1HB GLU 47 1HB GLU 47 7.087 -10.771 3.550 340 2HB GLU 47 2HB GLU 47 5.495 -11.504 3.542 341 1HG GLU 47 1HG GLU 47 7.590 -13.469 2.901 342 2HG GLU 47 2HG GLU 47 7.887 -12.695 4.445 343 H LEU 48 H LEU 48 6.851 -9.066 1.260 344 HA LEU 48 HA LEU 48 4.106 -8.396 1.016 345 1HB LEU 48 1HB LEU 48 6.718 -6.966 0.761 346 2HB LEU 48 2HB LEU 48 5.267 -6.201 0.146 347 HG LEU 48 HG LEU 48 5.655 -5.386 2.352 348 1HD1 LEU 48 1HD1 LEU 48 3.523 -7.259 3.135 349 2HD1 LEU 48 2HD1 LEU 48 3.519 -5.483 3.028 350 3HD1 LEU 48 3HD1 LEU 48 3.276 -6.463 1.562 351 1HD2 LEU 48 1HD2 LEU 48 7.047 -6.799 3.489 352 2HD2 LEU 48 2HD2 LEU 48 5.499 -7.189 4.277 353 3HD2 LEU 48 3HD2 LEU 48 6.147 -8.259 3.011 354 H GLN 49 H GLN 49 6.676 -9.405 -1.195 355 HA GLN 49 HA GLN 49 5.739 -8.362 -3.530 356 1HB GLN 49 1HB GLN 49 7.890 -9.663 -3.133 357 2HB GLN 49 2HB GLN 49 6.949 -11.140 -3.193 358 1HG GLN 49 1HG GLN 49 6.217 -10.635 -5.496 359 2HG GLN 49 2HG GLN 49 7.014 -9.075 -5.443 360 1HE2 GLN 49 1HE2 GLN 49 9.208 -8.906 -5.629 361 2HE2 GLN 49 2HE2 GLN 49 10.246 -10.210 -6.102 362 H ASP 50 H ASP 50 4.607 -11.200 -1.663 363 HA ASP 50 HA ASP 50 2.979 -12.202 -3.706 364 1HB ASP 50 1HB ASP 50 3.535 -13.714 -1.956 365 2HB ASP 50 2HB ASP 50 3.143 -12.555 -0.701 366 H MET 51 H MET 51 2.624 -9.827 -1.042 367 HA MET 51 HA MET 51 -0.180 -9.673 -1.197 368 1HB MET 51 1HB MET 51 2.088 -8.202 0.121 369 2HB MET 51 2HB MET 51 0.620 -7.269 -0.090 370 1HG MET 51 1HG MET 51 -0.421 -9.638 0.874 371 2HG MET 51 2HG MET 51 1.134 -9.617 1.682 372 1HE MET 51 1HE MET 51 1.456 -8.264 3.967 373 2HE MET 51 2HE MET 51 -0.135 -8.007 4.722 374 3HE MET 51 3HE MET 51 0.217 -9.540 3.889 375 H ILE 52 H ILE 52 2.494 -7.503 -2.369 376 HA ILE 52 HA ILE 52 0.909 -5.602 -3.564 377 HB ILE 52 HB ILE 52 2.892 -5.117 -4.945 378 1HG1 ILE 52 1HG1 ILE 52 4.977 -6.531 -4.301 379 2HG1 ILE 52 2HG1 ILE 52 3.820 -7.770 -3.855 380 1HG2 ILE 52 1HG2 ILE 52 3.105 -3.965 -3.006 381 2HG2 ILE 52 2HG2 ILE 52 2.943 -5.416 -1.988 382 3HG2 ILE 52 3HG2 ILE 52 4.490 -5.063 -2.795 383 1HD1 ILE 52 1HD1 ILE 52 2.972 -6.758 -6.393 384 2HD1 ILE 52 2HD1 ILE 52 4.730 -7.022 -6.496 385 3HD1 ILE 52 3HD1 ILE 52 3.654 -8.362 -6.031 386 H ASN 53 H ASN 53 2.024 -8.795 -4.793 387 HA ASN 53 HA ASN 53 1.085 -8.394 -7.379 388 1HB ASN 53 1HB ASN 53 2.688 -10.196 -6.794 389 2HB ASN 53 2HB ASN 53 1.500 -10.961 -5.758 390 1HD2 ASN 53 1HD2 ASN 53 1.946 -12.825 -7.093 391 2HD2 ASN 53 2HD2 ASN 53 1.099 -13.056 -8.586 392 H GLU 54 H GLU 54 -0.384 -9.421 -4.297 393 HA GLU 54 HA GLU 54 -2.676 -10.580 -5.435 394 1HB GLU 54 1HB GLU 54 -2.092 -11.240 -3.212 395 2HB GLU 54 2HB GLU 54 -1.966 -9.582 -2.657 396 1HG GLU 54 1HG GLU 54 -4.262 -9.328 -2.426 397 2HG GLU 54 2HG GLU 54 -4.629 -10.389 -3.771 398 H VAL 55 H VAL 55 -2.123 -7.412 -3.725 399 HA VAL 55 HA VAL 55 -4.672 -6.408 -4.254 400 HB VAL 55 HB VAL 55 -3.794 -4.325 -3.517 401 1HG1 VAL 55 1HG1 VAL 55 -3.845 -5.333 -1.515 402 2HG1 VAL 55 2HG1 VAL 55 -3.090 -6.816 -2.148 403 3HG1 VAL 55 3HG1 VAL 55 -2.073 -5.441 -1.653 404 1HG2 VAL 55 1HG2 VAL 55 -1.831 -4.172 -4.964 405 2HG2 VAL 55 2HG2 VAL 55 -1.377 -3.891 -3.266 406 3HG2 VAL 55 3HG2 VAL 55 -1.023 -5.457 -4.034 407 H ASP 56 H ASP 56 -1.616 -6.409 -6.125 408 HA ASP 56 HA ASP 56 -2.198 -4.504 -7.956 409 1HB ASP 56 1HB ASP 56 -0.049 -5.684 -7.887 410 2HB ASP 56 2HB ASP 56 -0.816 -7.203 -8.305 411 H ALA 57 H ALA 57 -4.117 -4.325 -9.133 412 HA ALA 57 HA ALA 57 -5.415 -6.803 -9.991 413 1HB ALA 57 1HB ALA 57 -6.676 -4.102 -10.299 414 2HB ALA 57 2HB ALA 57 -7.410 -5.661 -9.850 415 3HB ALA 57 3HB ALA 57 -6.474 -4.739 -8.649 416 H ASP 58 H ASP 58 -4.519 -3.496 -11.207 417 HA ASP 58 HA ASP 58 -5.160 -3.771 -13.776 418 1HB ASP 58 1HB ASP 58 -3.332 -2.189 -14.286 419 2HB ASP 58 2HB ASP 58 -4.137 -1.742 -12.796 420 H GLY 59 H GLY 59 -2.472 -5.290 -11.985 421 1HA GLY 59 1HA GLY 59 -1.409 -7.246 -12.602 422 2HA GLY 59 2HA GLY 59 -1.928 -7.030 -14.262 423 H ASP 60 H ASP 60 0.662 -6.663 -12.025 424 HA ASP 60 HA ASP 60 2.483 -6.060 -13.973 425 1HB ASP 60 1HB ASP 60 3.103 -3.732 -13.459 426 2HB ASP 60 2HB ASP 60 1.442 -3.805 -14.013 427 H GLY 61 H GLY 61 1.570 -5.209 -10.552 428 1HA GLY 61 1HA GLY 61 2.565 -6.561 -8.794 429 2HA GLY 61 2HA GLY 61 4.091 -6.470 -9.651 430 H THR 62 H THR 62 1.649 -3.855 -9.091 431 HA THR 62 HA THR 62 3.510 -2.563 -7.245 432 HB THR 62 HB THR 62 2.338 -1.149 -9.692 433 HG1 THR 62 HG1 THR 62 3.892 -2.697 -10.407 434 1HG2 THR 62 1HG2 THR 62 4.631 -0.484 -7.770 435 2HG2 THR 62 2HG2 THR 62 4.180 0.471 -9.202 436 3HG2 THR 62 3HG2 THR 62 3.060 0.350 -7.825 437 H ILE 63 H ILE 63 2.454 -0.570 -6.231 438 HA ILE 63 HA ILE 63 -0.358 -1.266 -5.762 439 HB ILE 63 HB ILE 63 1.616 0.159 -3.974 440 1HG1 ILE 63 1HG1 ILE 63 0.804 -2.700 -4.251 441 2HG1 ILE 63 2HG1 ILE 63 2.364 -2.006 -3.855 442 1HG2 ILE 63 1HG2 ILE 63 -0.138 -0.104 -2.244 443 2HG2 ILE 63 2HG2 ILE 63 -0.619 0.976 -3.575 444 3HG2 ILE 63 3HG2 ILE 63 -1.255 -0.685 -3.503 445 1HD1 ILE 63 1HD1 ILE 63 1.511 -1.356 -1.601 446 2HD1 ILE 63 2HD1 ILE 63 -0.066 -2.076 -2.005 447 3HD1 ILE 63 3HD1 ILE 63 1.378 -3.109 -1.876 448 H ASP 64 H ASP 64 -1.750 0.699 -5.129 449 HA ASP 64 HA ASP 64 -0.850 3.165 -6.238 450 1HB ASP 64 1HB ASP 64 -1.800 1.672 -8.165 451 2HB ASP 64 2HB ASP 64 -3.365 1.924 -7.419 452 H PHE 65 H PHE 65 -3.046 4.710 -6.234 453 HA PHE 65 HA PHE 65 -3.876 4.797 -3.581 454 1HB PHE 65 1HB PHE 65 -3.992 6.325 -5.965 455 2HB PHE 65 2HB PHE 65 -5.680 5.983 -5.643 456 HD1 PHE 65 HD1 PHE 65 -3.035 6.505 -3.098 457 HD2 PHE 65 HD2 PHE 65 -6.444 8.123 -5.039 458 HE1 PHE 65 HE1 PHE 65 -3.096 8.379 -1.429 459 HE2 PHE 65 HE2 PHE 65 -6.506 9.997 -3.369 460 HZ PHE 65 HZ PHE 65 -4.831 10.102 -1.584 461 HA PRO 66 HA PRO 66 -7.911 2.885 -5.165 462 1HB PRO 66 1HB PRO 66 -8.032 1.817 -7.677 463 2HB PRO 66 2HB PRO 66 -8.568 3.442 -7.300 464 1HG PRO 66 1HG PRO 66 -6.106 2.578 -8.689 465 2HG PRO 66 2HG PRO 66 -6.862 4.159 -8.676 466 1HD PRO 66 1HD PRO 66 -4.532 3.359 -7.207 467 2HD PRO 66 2HD PRO 66 -5.356 4.903 -7.106 468 H GLU 67 H GLU 67 -4.943 1.403 -6.135 469 HA GLU 67 HA GLU 67 -5.932 -1.217 -5.871 470 1HB GLU 67 1HB GLU 67 -3.217 0.061 -6.152 471 2HB GLU 67 2HB GLU 67 -3.292 -1.611 -5.632 472 1HG GLU 67 1HG GLU 67 -4.741 -2.130 -7.639 473 2HG GLU 67 2HG GLU 67 -4.552 -0.472 -8.172 474 H PHE 68 H PHE 68 -3.673 0.756 -3.802 475 HA PHE 68 HA PHE 68 -3.603 -1.050 -1.699 476 1HB PHE 68 1HB PHE 68 -2.394 1.307 -2.408 477 2HB PHE 68 2HB PHE 68 -3.551 1.953 -1.260 478 HD1 PHE 68 HD1 PHE 68 -2.202 2.606 0.530 479 HD2 PHE 68 HD2 PHE 68 -1.742 -1.291 -1.086 480 HE1 PHE 68 HE1 PHE 68 -0.664 2.004 2.420 481 HE2 PHE 68 HE2 PHE 68 -0.203 -1.893 0.804 482 HZ PHE 68 HZ PHE 68 0.317 -0.238 2.534 483 H LEU 69 H LEU 69 -5.873 1.634 -2.459 484 HA LEU 69 HA LEU 69 -7.145 1.995 -0.117 485 1HB LEU 69 1HB LEU 69 -8.148 3.321 -1.574 486 2HB LEU 69 2HB LEU 69 -7.759 2.279 -2.929 487 HG LEU 69 HG LEU 69 -9.734 0.876 -2.407 488 1HD1 LEU 69 1HD1 LEU 69 -11.173 1.219 -0.669 489 2HD1 LEU 69 2HD1 LEU 69 -9.656 1.762 0.089 490 3HD1 LEU 69 3HD1 LEU 69 -10.808 2.958 -0.555 491 1HD2 LEU 69 1HD2 LEU 69 -9.643 3.237 -3.755 492 2HD2 LEU 69 2HD2 LEU 69 -11.052 2.151 -3.702 493 3HD2 LEU 69 3HD2 LEU 69 -10.964 3.549 -2.604 494 H THR 70 H THR 70 -7.852 -0.653 -2.497 495 HA THR 70 HA THR 70 -9.775 -1.884 -0.829 496 HB THR 70 HB THR 70 -8.123 -2.760 -3.249 497 HG1 THR 70 HG1 THR 70 -9.747 -1.271 -3.791 498 1HG2 THR 70 1HG2 THR 70 -10.631 -4.196 -2.831 499 2HG2 THR 70 2HG2 THR 70 -9.005 -4.863 -3.111 500 3HG2 THR 70 3HG2 THR 70 -9.536 -4.477 -1.456 501 H MET 71 H MET 71 -6.278 -2.582 -1.451 502 HA MET 71 HA MET 71 -5.931 -4.805 -0.079 503 1HB MET 71 1HB MET 71 -4.148 -3.355 -1.158 504 2HB MET 71 2HB MET 71 -4.212 -2.279 0.223 505 1HG MET 71 1HG MET 71 -3.788 -5.175 0.864 506 2HG MET 71 2HG MET 71 -2.469 -4.386 0.022 507 1HE MET 71 1HE MET 71 -0.737 -3.798 1.116 508 2HE MET 71 2HE MET 71 -0.550 -3.019 2.706 509 3HE MET 71 3HE MET 71 -0.913 -4.759 2.604 510 H MET 72 H MET 72 -5.742 -1.536 1.522 511 HA MET 72 HA MET 72 -5.579 -2.563 4.079 512 1HB MET 72 1HB MET 72 -5.198 -0.139 3.103 513 2HB MET 72 2HB MET 72 -6.918 0.087 3.355 514 1HG MET 72 1HG MET 72 -5.960 0.901 5.369 515 2HG MET 72 2HG MET 72 -6.490 -0.713 5.802 516 1HE MET 72 1HE MET 72 -4.006 0.039 7.902 517 2HE MET 72 2HE MET 72 -5.346 -1.088 7.584 518 3HE MET 72 3HE MET 72 -3.675 -1.695 7.674 519 H ALA 73 H ALA 73 -8.455 -1.055 2.424 520 HA ALA 73 HA ALA 73 -10.338 -1.394 4.302 521 1HB ALA 73 1HB ALA 73 -10.214 -1.131 1.420 522 2HB ALA 73 2HB ALA 73 -11.550 -2.217 1.874 523 3HB ALA 73 3HB ALA 73 -11.473 -0.571 2.547 524 H ARG 74 H ARG 74 -9.482 -3.916 1.821 525 HA ARG 74 HA ARG 74 -11.108 -5.842 2.915 526 1HB ARG 74 1HB ARG 74 -8.583 -5.986 1.214 527 2HB ARG 74 2HB ARG 74 -9.436 -7.443 1.686 528 1HG ARG 74 1HG ARG 74 -10.825 -5.112 0.293 529 2HG ARG 74 2HG ARG 74 -10.083 -6.429 -0.593 530 1HD ARG 74 1HD ARG 74 -11.580 -8.066 0.409 531 2HD ARG 74 2HD ARG 74 -12.170 -6.905 1.582 532 HE ARG 74 HE ARG 74 -12.608 -5.965 -1.130 533 1HH1 ARG 74 2HH2 ARG 74 -13.871 -8.147 1.325 534 2HH1 ARG 74 1HH2 ARG 74 -15.486 -8.121 0.700 535 1HH2 ARG 74 2HH1 ARG 74 -14.739 -5.929 -1.954 536 2HH2 ARG 74 1HH1 ARG 74 -15.983 -6.850 -1.177 537 H LYS 75 H LYS 75 -7.792 -4.779 3.698 538 HA LYS 75 HA LYS 75 -6.797 -6.908 5.059 539 1HB LYS 75 1HB LYS 75 -5.895 -4.471 4.569 540 2HB LYS 75 2HB LYS 75 -6.461 -4.153 6.197 541 1HG LYS 75 1HG LYS 75 -4.224 -4.863 6.525 542 2HG LYS 75 2HG LYS 75 -5.161 -6.298 6.893 543 1HD LYS 75 1HD LYS 75 -4.551 -6.144 4.024 544 2HD LYS 75 2HD LYS 75 -3.086 -6.071 4.982 545 1HE LYS 75 1HE LYS 75 -4.235 -8.098 6.309 546 2HE LYS 75 2HE LYS 75 -5.137 -8.285 4.818 547 1HZ LYS 75 1HZ LYS 75 -3.256 -8.786 3.667 548 2HZ LYS 75 2HZ LYS 75 -2.249 -7.984 4.672 549 3HZ LYS 75 3HZ LYS 75 -2.867 -9.429 5.117 550 H MET 76 H MET 76 -8.789 -4.233 6.512 551 HA MET 76 HA MET 76 -8.986 -5.330 8.995 552 1HB MET 76 1HB MET 76 -10.540 -3.400 7.307 553 2HB MET 76 2HB MET 76 -11.443 -4.073 8.650 554 1HG MET 76 1HG MET 76 -8.949 -3.436 9.793 555 2HG MET 76 2HG MET 76 -9.237 -2.114 8.680 556 1HE MET 76 1HE MET 76 -12.122 -3.697 11.785 557 2HE MET 76 2HE MET 76 -10.678 -4.467 11.084 558 3HE MET 76 3HE MET 76 -10.509 -3.331 12.444 559 H LYS 77 H LYS 77 -11.016 -5.927 6.074 560 HA LYS 77 HA LYS 77 -12.962 -7.467 7.354 561 1HB LYS 77 1HB LYS 77 -12.318 -6.610 4.708 562 2HB LYS 77 2HB LYS 77 -12.575 -8.343 4.654 563 1HG LYS 77 1HG LYS 77 -14.808 -8.175 5.218 564 2HG LYS 77 2HG LYS 77 -14.543 -6.837 6.319 565 1HD LYS 77 1HD LYS 77 -13.958 -6.042 3.557 566 2HD LYS 77 2HD LYS 77 -15.579 -6.695 3.685 567 1HE LYS 77 1HE LYS 77 -15.387 -5.065 5.957 568 2HE LYS 77 2HE LYS 77 -14.487 -4.162 4.755 569 1HZ LYS 77 1HZ LYS 77 -16.345 -3.703 3.676 570 2HZ LYS 77 2HZ LYS 77 -16.895 -5.240 3.714 571 3HZ LYS 77 3HZ LYS 77 -17.169 -4.243 4.978 572 H ASP 78 H ASP 78 -10.089 -8.540 5.395 573 HA ASP 78 HA ASP 78 -10.288 -11.160 5.695 574 1HB ASP 78 1HB ASP 78 -8.407 -9.735 4.625 575 2HB ASP 78 2HB ASP 78 -7.660 -9.703 6.210 576 H THR 79 H THR 79 -8.425 -8.998 7.978 577 HA THR 79 HA THR 79 -8.005 -10.972 9.922 578 HB THR 79 HB THR 79 -6.742 -8.789 9.599 579 HG1 THR 79 HG1 THR 79 -6.509 -8.672 11.905 580 1HG2 THR 79 1HG2 THR 79 -9.209 -7.656 11.022 581 2HG2 THR 79 2HG2 THR 79 -7.683 -6.783 10.743 582 3HG2 THR 79 3HG2 THR 79 -8.708 -7.247 9.364 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -19.642 7.193 -0.340 2 HA ALA 1 HA ALA 1 -17.032 6.810 0.771 3 1HB ALA 1 1HB ALA 1 -17.480 9.260 -0.484 4 2HB ALA 1 2HB ALA 1 -17.826 9.596 1.229 5 3HB ALA 1 3HB ALA 1 -16.247 8.925 0.755 6 H ASP 2 H ASP 2 -19.929 5.968 1.025 7 HA ASP 2 HA ASP 2 -20.526 7.125 3.614 8 1HB ASP 2 1HB ASP 2 -22.255 6.872 1.690 9 2HB ASP 2 2HB ASP 2 -22.219 5.152 2.023 10 H GLN 3 H GLN 3 -18.309 5.130 3.019 11 HA GLN 3 HA GLN 3 -19.305 2.995 4.736 12 1HB GLN 3 1HB GLN 3 -18.690 2.549 2.146 13 2HB GLN 3 2HB GLN 3 -17.073 2.418 2.808 14 1HG GLN 3 1HG GLN 3 -17.552 0.482 3.985 15 2HG GLN 3 2HG GLN 3 -19.203 0.961 4.323 16 1HE2 GLN 3 1HE2 GLN 3 -20.823 0.269 3.084 17 2HE2 GLN 3 2HE2 GLN 3 -20.668 -0.706 1.661 18 H LEU 4 H LEU 4 -16.271 4.531 3.434 19 HA LEU 4 HA LEU 4 -15.342 5.303 5.936 20 1HB LEU 4 1HB LEU 4 -13.634 3.711 6.428 21 2HB LEU 4 2HB LEU 4 -15.189 2.904 6.377 22 HG LEU 4 HG LEU 4 -13.501 1.506 5.368 23 1HD1 LEU 4 1HD1 LEU 4 -14.735 0.793 3.587 24 2HD1 LEU 4 2HD1 LEU 4 -15.919 1.882 4.348 25 3HD1 LEU 4 3HD1 LEU 4 -14.975 2.435 2.944 26 1HD2 LEU 4 1HD2 LEU 4 -12.357 3.862 4.475 27 2HD2 LEU 4 2HD2 LEU 4 -11.844 2.210 4.056 28 3HD2 LEU 4 3HD2 LEU 4 -12.953 3.097 2.983 29 H THR 5 H THR 5 -14.737 4.262 2.579 30 HA THR 5 HA THR 5 -12.298 5.201 2.007 31 HB THR 5 HB THR 5 -13.405 5.890 -0.234 32 HG1 THR 5 HG1 THR 5 -15.745 5.293 -0.172 33 1HG2 THR 5 1HG2 THR 5 -13.603 3.228 1.125 34 2HG2 THR 5 2HG2 THR 5 -14.694 3.460 -0.262 35 3HG2 THR 5 3HG2 THR 5 -12.936 3.632 -0.475 36 H GLU 6 H GLU 6 -15.087 7.175 2.969 37 HA GLU 6 HA GLU 6 -14.070 9.601 2.095 38 1HB GLU 6 1HB GLU 6 -16.419 9.283 2.767 39 2HB GLU 6 2HB GLU 6 -15.937 8.958 4.420 40 1HG GLU 6 1HG GLU 6 -14.793 11.491 3.480 41 2HG GLU 6 2HG GLU 6 -16.535 11.485 3.288 42 H GLU 7 H GLU 7 -14.002 8.094 5.409 43 HA GLU 7 HA GLU 7 -12.293 10.085 6.403 44 1HB GLU 7 1HB GLU 7 -12.037 8.418 8.337 45 2HB GLU 7 2HB GLU 7 -13.668 8.953 7.986 46 1HG GLU 7 1HG GLU 7 -14.255 6.897 6.931 47 2HG GLU 7 2HG GLU 7 -12.583 6.439 6.677 48 H GLN 8 H GLN 8 -11.827 6.855 4.928 49 HA GLN 8 HA GLN 8 -9.160 6.574 5.658 50 1HB GLN 8 1HB GLN 8 -11.073 5.272 3.818 51 2HB GLN 8 2HB GLN 8 -9.417 5.192 3.252 52 1HG GLN 8 1HG GLN 8 -10.440 4.279 5.982 53 2HG GLN 8 2HG GLN 8 -9.912 3.240 4.672 54 1HE2 GLN 8 1HE2 GLN 8 -8.967 3.655 7.464 55 2HE2 GLN 8 2HE2 GLN 8 -7.265 3.960 7.363 56 H ILE 9 H ILE 9 -10.690 7.739 2.572 57 HA ILE 9 HA ILE 9 -8.403 8.286 1.181 58 HB ILE 9 HB ILE 9 -11.131 9.542 1.210 59 1HG1 ILE 9 1HG1 ILE 9 -10.650 7.154 0.393 60 2HG1 ILE 9 2HG1 ILE 9 -11.579 8.214 -0.649 61 1HG2 ILE 9 1HG2 ILE 9 -9.695 11.331 0.505 62 2HG2 ILE 9 2HG2 ILE 9 -8.808 10.253 -0.599 63 3HG2 ILE 9 3HG2 ILE 9 -10.509 10.661 -0.929 64 1HD1 ILE 9 1HD1 ILE 9 -9.698 8.640 -2.084 65 2HD1 ILE 9 2HD1 ILE 9 -8.556 7.945 -0.908 66 3HD1 ILE 9 3HD1 ILE 9 -9.692 6.886 -1.779 67 H ALA 10 H ALA 10 -10.012 10.199 3.758 68 HA ALA 10 HA ALA 10 -8.640 12.561 3.484 69 1HB ALA 10 1HB ALA 10 -10.561 12.042 5.025 70 2HB ALA 10 2HB ALA 10 -9.415 11.190 6.089 71 3HB ALA 10 3HB ALA 10 -9.235 12.938 5.803 72 H GLU 11 H GLU 11 -7.743 9.706 5.555 73 HA GLU 11 HA GLU 11 -5.256 10.821 6.201 74 1HB GLU 11 1HB GLU 11 -6.801 8.468 6.869 75 2HB GLU 11 2HB GLU 11 -5.164 7.971 6.490 76 1HG GLU 11 1HG GLU 11 -4.321 9.788 8.066 77 2HG GLU 11 2HG GLU 11 -5.985 10.094 8.525 78 H PHE 12 H PHE 12 -6.335 8.305 3.832 79 HA PHE 12 HA PHE 12 -3.943 7.440 2.907 80 1HB PHE 12 1HB PHE 12 -6.731 7.628 2.093 81 2HB PHE 12 2HB PHE 12 -5.756 8.021 0.690 82 HD1 PHE 12 HD1 PHE 12 -5.916 5.459 3.404 83 HD2 PHE 12 HD2 PHE 12 -5.068 6.290 -0.670 84 HE1 PHE 12 HE1 PHE 12 -5.534 3.014 2.985 85 HE2 PHE 12 HE2 PHE 12 -4.686 3.845 -1.089 86 HZ PHE 12 HZ PHE 12 -4.924 2.236 0.743 87 H LYS 13 H LYS 13 -5.625 10.523 2.116 88 HA LYS 13 HA LYS 13 -4.102 11.309 -0.030 89 1HB LYS 13 1HB LYS 13 -6.195 12.364 1.078 90 2HB LYS 13 2HB LYS 13 -5.057 13.233 2.088 91 1HG LYS 13 1HG LYS 13 -4.718 14.724 0.418 92 2HG LYS 13 2HG LYS 13 -4.071 13.446 -0.590 93 1HD LYS 13 1HD LYS 13 -7.044 13.466 -0.388 94 2HD LYS 13 2HD LYS 13 -6.362 14.885 -1.158 95 1HE LYS 13 1HE LYS 13 -4.910 12.757 -2.295 96 2HE LYS 13 2HE LYS 13 -6.536 12.118 -2.162 97 1HZ LYS 13 1HZ LYS 13 -7.343 13.699 -3.553 98 2HZ LYS 13 2HZ LYS 13 -6.197 14.808 -3.202 99 3HZ LYS 13 3HZ LYS 13 -5.842 13.548 -4.179 100 H GLU 14 H GLU 14 -3.530 12.092 3.476 101 HA GLU 14 HA GLU 14 -1.025 13.220 2.905 102 1HB GLU 14 1HB GLU 14 -2.708 12.706 5.265 103 2HB GLU 14 2HB GLU 14 -1.003 12.508 5.619 104 1HG GLU 14 1HG GLU 14 -1.006 14.831 4.083 105 2HG GLU 14 2HG GLU 14 -2.518 14.973 4.957 106 H ALA 15 H ALA 15 -2.170 9.971 3.902 107 HA ALA 15 HA ALA 15 0.257 8.868 4.638 108 1HB ALA 15 1HB ALA 15 -1.414 6.979 3.205 109 2HB ALA 15 2HB ALA 15 -1.100 7.104 4.952 110 3HB ALA 15 3HB ALA 15 -2.419 8.045 4.216 111 H PHE 16 H PHE 16 -1.333 9.073 1.386 112 HA PHE 16 HA PHE 16 0.261 7.636 -0.160 113 1HB PHE 16 1HB PHE 16 -1.616 9.195 -0.847 114 2HB PHE 16 2HB PHE 16 -0.574 10.573 -0.551 115 HD1 PHE 16 HD1 PHE 16 -0.493 7.399 -2.527 116 HD2 PHE 16 HD2 PHE 16 0.395 11.546 -2.394 117 HE1 PHE 16 HE1 PHE 16 0.310 7.303 -4.904 118 HE2 PHE 16 HE2 PHE 16 1.197 11.451 -4.770 119 HZ PHE 16 HZ PHE 16 1.145 9.331 -5.997 120 H SER 17 H SER 17 1.066 11.017 0.908 121 HA SER 17 HA SER 17 3.364 11.387 -0.375 122 1HB SER 17 1HB SER 17 2.162 12.869 1.377 123 2HB SER 17 2HB SER 17 3.104 12.022 2.588 124 HG SER 17 HG SER 17 3.892 13.994 0.771 125 H LEU 18 H LEU 18 3.058 9.751 2.865 126 HA LEU 18 HA LEU 18 5.787 8.987 2.897 127 1HB LEU 18 1HB LEU 18 3.386 8.140 4.517 128 2HB LEU 18 2HB LEU 18 5.010 7.553 4.816 129 HG LEU 18 HG LEU 18 4.611 10.512 4.730 130 1HD1 LEU 18 1HD1 LEU 18 3.045 10.571 6.299 131 2HD1 LEU 18 2HD1 LEU 18 3.064 8.799 6.457 132 3HD1 LEU 18 3HD1 LEU 18 4.191 9.790 7.414 133 1HD2 LEU 18 1HD2 LEU 18 6.808 9.165 5.113 134 2HD2 LEU 18 2HD2 LEU 18 6.460 10.597 6.111 135 3HD2 LEU 18 3HD2 LEU 18 6.183 8.966 6.768 136 H PHE 19 H PHE 19 2.686 7.202 2.282 137 HA PHE 19 HA PHE 19 3.608 4.721 1.869 138 1HB PHE 19 1HB PHE 19 1.241 5.706 1.624 139 2HB PHE 19 2HB PHE 19 1.704 6.310 0.046 140 HD1 PHE 19 HD1 PHE 19 0.519 5.117 -1.536 141 HD2 PHE 19 HD2 PHE 19 2.308 3.008 1.683 142 HE1 PHE 19 HE1 PHE 19 -0.179 2.941 -2.574 143 HE2 PHE 19 HE2 PHE 19 1.610 0.832 0.645 144 HZ PHE 19 HZ PHE 19 0.375 0.824 -1.471 145 H ASP 20 H ASP 20 3.849 7.491 -0.427 146 HA ASP 20 HA ASP 20 5.197 5.755 -2.297 147 1HB ASP 20 1HB ASP 20 3.421 7.648 -2.818 148 2HB ASP 20 2HB ASP 20 4.778 8.741 -2.640 149 H LYS 21 H LYS 21 7.363 5.452 -1.660 150 HA LYS 21 HA LYS 21 8.785 7.520 -0.297 151 1HB LYS 21 1HB LYS 21 9.921 4.974 -1.471 152 2HB LYS 21 2HB LYS 21 10.564 5.937 -0.157 153 1HG LYS 21 1HG LYS 21 7.831 4.583 -0.040 154 2HG LYS 21 2HG LYS 21 9.299 3.819 0.538 155 1HD LYS 21 1HD LYS 21 9.649 5.567 2.205 156 2HD LYS 21 2HD LYS 21 8.371 6.554 1.522 157 1HE LYS 21 1HE LYS 21 6.688 4.809 2.124 158 2HE LYS 21 2HE LYS 21 7.960 3.800 2.783 159 1HZ LYS 21 1HZ LYS 21 8.426 5.484 4.394 160 2HZ LYS 21 2HZ LYS 21 7.331 6.505 3.742 161 3HZ LYS 21 3HZ LYS 21 6.834 5.125 4.459 162 H ASP 22 H ASP 22 8.730 6.113 -3.617 163 HA ASP 22 HA ASP 22 10.863 7.725 -4.486 164 1HB ASP 22 1HB ASP 22 8.739 6.032 -5.834 165 2HB ASP 22 2HB ASP 22 9.762 7.066 -6.812 166 H GLY 23 H GLY 23 7.245 7.770 -4.831 167 1HA GLY 23 1HA GLY 23 5.890 9.624 -4.881 168 2HA GLY 23 2HA GLY 23 7.285 10.665 -5.083 169 H ASP 24 H ASP 24 6.288 7.745 -6.988 170 HA ASP 24 HA ASP 24 6.137 9.532 -9.289 171 1HB ASP 24 1HB ASP 24 6.644 7.250 -10.539 172 2HB ASP 24 2HB ASP 24 7.956 8.180 -9.843 173 H GLY 25 H GLY 25 3.995 8.726 -7.353 174 1HA GLY 25 1HA GLY 25 1.852 8.049 -7.385 175 2HA GLY 25 2HA GLY 25 1.937 8.070 -9.135 176 H THR 26 H THR 26 4.360 6.072 -7.634 177 HA THR 26 HA THR 26 2.658 3.697 -7.814 178 HB THR 26 HB THR 26 4.696 2.659 -9.094 179 HG1 THR 26 HG1 THR 26 6.176 4.393 -8.880 180 1HG2 THR 26 1HG2 THR 26 3.579 3.014 -11.080 181 2HG2 THR 26 2HG2 THR 26 2.372 3.835 -10.062 182 3HG2 THR 26 3HG2 THR 26 3.630 4.783 -10.889 183 H ILE 27 H ILE 27 2.847 2.463 -6.057 184 HA ILE 27 HA ILE 27 5.171 2.973 -4.358 185 HB ILE 27 HB ILE 27 2.342 2.251 -3.914 186 1HG1 ILE 27 1HG1 ILE 27 2.903 3.572 -1.774 187 2HG1 ILE 27 2HG1 ILE 27 4.440 3.930 -2.536 188 1HG2 ILE 27 1HG2 ILE 27 3.031 0.269 -2.963 189 2HG2 ILE 27 2HG2 ILE 27 4.597 0.934 -2.439 190 3HG2 ILE 27 3HG2 ILE 27 3.107 1.377 -1.571 191 1HD1 ILE 27 1HD1 ILE 27 2.471 4.404 -4.537 192 2HD1 ILE 27 2HD1 ILE 27 1.841 5.125 -3.036 193 3HD1 ILE 27 3HD1 ILE 27 3.434 5.617 -3.659 194 H THR 28 H THR 28 6.796 1.715 -5.278 195 HA THR 28 HA THR 28 6.417 -0.841 -6.326 196 HB THR 28 HB THR 28 8.795 0.683 -5.165 197 HG1 THR 28 HG1 THR 28 8.087 -0.287 -7.834 198 1HG2 THR 28 1HG2 THR 28 9.461 -1.661 -5.003 199 2HG2 THR 28 2HG2 THR 28 8.692 -2.036 -6.564 200 3HG2 THR 28 3HG2 THR 28 10.155 -1.023 -6.513 201 H THR 29 H THR 29 6.943 -2.945 -5.518 202 HA THR 29 HA THR 29 5.719 -3.641 -3.202 203 HB THR 29 HB THR 29 6.974 -5.762 -3.460 204 HG1 THR 29 HG1 THR 29 8.585 -3.952 -5.116 205 1HG2 THR 29 1HG2 THR 29 6.939 -4.759 -6.307 206 2HG2 THR 29 2HG2 THR 29 6.330 -6.296 -5.648 207 3HG2 THR 29 3HG2 THR 29 5.391 -4.799 -5.430 208 H LYS 30 H LYS 30 9.256 -2.942 -3.564 209 HA LYS 30 HA LYS 30 9.842 -3.352 -0.870 210 1HB LYS 30 1HB LYS 30 11.957 -2.456 -1.367 211 2HB LYS 30 2HB LYS 30 11.431 -3.228 -2.849 212 1HG LYS 30 1HG LYS 30 10.470 -0.855 -3.476 213 2HG LYS 30 2HG LYS 30 11.518 -0.262 -2.202 214 1HD LYS 30 1HD LYS 30 13.470 -1.415 -3.332 215 2HD LYS 30 2HD LYS 30 12.400 -1.877 -4.640 216 1HE LYS 30 1HE LYS 30 13.114 0.099 -5.574 217 2HE LYS 30 2HE LYS 30 11.862 0.798 -4.566 218 1HZ LYS 30 1HZ LYS 30 13.487 1.219 -2.884 219 2HZ LYS 30 2HZ LYS 30 14.663 0.477 -3.739 220 3HZ LYS 30 3HZ LYS 30 14.008 1.868 -4.289 221 H GLU 31 H GLU 31 8.660 -0.492 -2.687 222 HA GLU 31 HA GLU 31 9.080 1.384 -0.737 223 1HB GLU 31 1HB GLU 31 7.552 1.140 -3.201 224 2HB GLU 31 2HB GLU 31 6.620 2.035 -2.017 225 1HG GLU 31 1HG GLU 31 8.490 3.605 -1.659 226 2HG GLU 31 2HG GLU 31 9.528 2.664 -2.712 227 H LEU 32 H LEU 32 6.608 -1.154 -1.021 228 HA LEU 32 HA LEU 32 4.803 -0.064 0.846 229 1HB LEU 32 1HB LEU 32 4.161 -1.719 -0.797 230 2HB LEU 32 2HB LEU 32 5.269 -2.891 -0.110 231 HG LEU 32 HG LEU 32 2.864 -1.735 1.330 232 1HD1 LEU 32 1HD1 LEU 32 3.036 -3.793 -0.672 233 2HD1 LEU 32 2HD1 LEU 32 2.537 -4.500 0.884 234 3HD1 LEU 32 3HD1 LEU 32 1.609 -3.155 0.180 235 1HD2 LEU 32 1HD2 LEU 32 5.012 -3.667 2.119 236 2HD2 LEU 32 2HD2 LEU 32 4.241 -2.365 3.056 237 3HD2 LEU 32 3HD2 LEU 32 3.364 -3.884 2.754 238 H GLY 33 H GLY 33 7.445 -2.535 1.123 239 1HA GLY 33 1HA GLY 33 7.164 -3.041 3.847 240 2HA GLY 33 2HA GLY 33 8.625 -3.238 2.900 241 H THR 34 H THR 34 8.556 -0.274 2.103 242 HA THR 34 HA THR 34 10.232 0.656 4.165 243 HB THR 34 HB THR 34 8.794 2.146 1.905 244 HG1 THR 34 HG1 THR 34 11.421 0.866 2.192 245 1HG2 THR 34 1HG2 THR 34 11.438 2.705 3.350 246 2HG2 THR 34 2HG2 THR 34 10.764 3.646 1.997 247 3HG2 THR 34 3HG2 THR 34 9.945 3.648 3.578 248 H VAL 35 H VAL 35 6.775 1.301 3.369 249 HA VAL 35 HA VAL 35 6.482 3.210 5.433 250 HB VAL 35 HB VAL 35 4.391 1.524 4.045 251 1HG1 VAL 35 1HG1 VAL 35 3.935 3.025 6.190 252 2HG1 VAL 35 2HG1 VAL 35 3.922 4.329 4.979 253 3HG1 VAL 35 3HG1 VAL 35 2.787 2.966 4.831 254 1HG2 VAL 35 1HG2 VAL 35 5.062 4.305 3.160 255 2HG2 VAL 35 2HG2 VAL 35 6.126 2.971 2.654 256 3HG2 VAL 35 3HG2 VAL 35 4.397 2.938 2.234 257 H MET 36 H MET 36 5.643 -0.305 5.124 258 HA MET 36 HA MET 36 4.462 -0.643 7.529 259 1HB MET 36 1HB MET 36 6.428 -2.506 6.082 260 2HB MET 36 2HB MET 36 5.317 -3.032 7.332 261 1HG MET 36 1HG MET 36 4.258 -1.568 4.891 262 2HG MET 36 2HG MET 36 4.625 -3.279 4.791 263 1HE MET 36 1HE MET 36 0.696 -2.194 5.394 264 2HE MET 36 2HE MET 36 1.729 -0.795 5.773 265 3HE MET 36 3HE MET 36 2.039 -1.760 4.310 266 H ARG 37 H ARG 37 7.996 -1.206 6.841 267 HA ARG 37 HA ARG 37 8.638 -1.623 9.491 268 1HB ARG 37 1HB ARG 37 11.000 -1.252 8.735 269 2HB ARG 37 2HB ARG 37 10.121 -2.301 7.640 270 1HG ARG 37 1HG ARG 37 10.927 -0.879 6.029 271 2HG ARG 37 2HG ARG 37 9.557 0.113 6.490 272 1HD ARG 37 1HD ARG 37 10.880 1.584 7.790 273 2HD ARG 37 2HD ARG 37 12.149 0.401 8.030 274 HE ARG 37 HE ARG 37 11.799 2.150 5.689 275 1HH1 ARG 37 2HH2 ARG 37 13.363 -0.730 6.970 276 2HH1 ARG 37 1HH2 ARG 37 14.635 -0.718 5.794 277 1HH2 ARG 37 2HH1 ARG 37 13.477 2.167 4.138 278 2HH2 ARG 37 1HH1 ARG 37 14.700 0.941 4.173 279 H SER 38 H SER 38 8.379 1.331 7.488 280 HA SER 38 HA SER 38 9.798 3.073 9.023 281 1HB SER 38 1HB SER 38 7.568 3.246 7.067 282 2HB SER 38 2HB SER 38 7.669 4.616 8.155 283 HG SER 38 HG SER 38 9.016 4.494 6.009 284 H LEU 39 H LEU 39 6.817 1.396 9.738 285 HA LEU 39 HA LEU 39 5.936 3.311 11.698 286 1HB LEU 39 1HB LEU 39 4.977 0.609 10.784 287 2HB LEU 39 2HB LEU 39 4.296 1.402 12.190 288 HG LEU 39 HG LEU 39 4.350 2.614 9.413 289 1HD1 LEU 39 1HD1 LEU 39 2.793 1.068 8.947 290 2HD1 LEU 39 2HD1 LEU 39 2.514 0.677 10.661 291 3HD1 LEU 39 3HD1 LEU 39 1.724 2.096 9.931 292 1HD2 LEU 39 1HD2 LEU 39 2.653 4.163 10.357 293 2HD2 LEU 39 2HD2 LEU 39 2.949 3.457 11.964 294 3HD2 LEU 39 3HD2 LEU 39 4.257 4.315 11.115 295 H GLY 40 H GLY 40 6.724 -0.228 11.955 296 1HA GLY 40 1HA GLY 40 8.693 0.164 13.964 297 2HA GLY 40 2HA GLY 40 7.150 -0.240 14.690 298 H GLN 41 H GLN 41 8.240 -1.339 11.445 299 HA GLN 41 HA GLN 41 8.637 -3.984 12.584 300 1HB GLN 41 1HB GLN 41 6.995 -3.392 10.081 301 2HB GLN 41 2HB GLN 41 7.377 -4.991 10.689 302 1HG GLN 41 1HG GLN 41 6.285 -3.598 12.913 303 2HG GLN 41 2HG GLN 41 5.279 -3.142 11.553 304 1HE2 GLN 41 1HE2 GLN 41 3.886 -4.549 10.683 305 2HE2 GLN 41 2HE2 GLN 41 3.647 -6.184 11.202 306 H ASN 42 H ASN 42 9.291 -5.412 10.297 307 HA ASN 42 HA ASN 42 10.973 -3.907 8.610 308 1HB ASN 42 1HB ASN 42 12.189 -4.443 11.009 309 2HB ASN 42 2HB ASN 42 12.567 -5.932 10.165 310 1HD2 ASN 42 1HD2 ASN 42 12.379 -2.447 9.426 311 2HD2 ASN 42 2HD2 ASN 42 13.894 -2.317 8.597 312 HA PRO 43 HA PRO 43 9.544 -8.137 7.418 313 1HB PRO 43 1HB PRO 43 7.716 -7.457 5.503 314 2HB PRO 43 2HB PRO 43 7.280 -7.801 7.165 315 1HG PRO 43 1HG PRO 43 7.436 -5.187 5.794 316 2HG PRO 43 2HG PRO 43 6.613 -5.597 7.286 317 1HD PRO 43 1HD PRO 43 9.107 -4.203 7.029 318 2HD PRO 43 2HD PRO 43 8.341 -4.715 8.520 319 H THR 44 H THR 44 9.449 -9.190 5.118 320 HA THR 44 HA THR 44 11.770 -8.016 3.759 321 HB THR 44 HB THR 44 11.693 -10.435 2.715 322 HG1 THR 44 HG1 THR 44 10.362 -11.835 4.003 323 1HG2 THR 44 1HG2 THR 44 12.036 -10.466 5.735 324 2HG2 THR 44 2HG2 THR 44 12.981 -11.333 4.501 325 3HG2 THR 44 3HG2 THR 44 13.197 -9.580 4.719 326 H GLU 45 H GLU 45 11.827 -7.794 1.463 327 HA GLU 45 HA GLU 45 9.409 -6.776 0.484 328 1HB GLU 45 1HB GLU 45 10.690 -6.393 -1.604 329 2HB GLU 45 2HB GLU 45 11.587 -5.862 -0.195 330 1HG GLU 45 1HG GLU 45 13.116 -7.650 -0.315 331 2HG GLU 45 2HG GLU 45 11.998 -8.691 -1.173 332 H ALA 46 H ALA 46 10.842 -9.957 0.537 333 HA ALA 46 HA ALA 46 9.629 -10.963 -1.814 334 1HB ALA 46 1HB ALA 46 11.603 -11.986 -0.769 335 2HB ALA 46 2HB ALA 46 10.661 -12.342 0.698 336 3HB ALA 46 3HB ALA 46 10.261 -13.154 -0.834 337 H GLU 47 H GLU 47 8.854 -11.435 1.713 338 HA GLU 47 HA GLU 47 6.521 -12.772 1.328 339 1HB GLU 47 1HB GLU 47 7.531 -10.957 3.527 340 2HB GLU 47 2HB GLU 47 5.909 -11.612 3.629 341 1HG GLU 47 1HG GLU 47 7.991 -13.614 2.901 342 2HG GLU 47 2HG GLU 47 8.195 -12.913 4.494 343 H LEU 48 H LEU 48 7.140 -9.228 1.340 344 HA LEU 48 HA LEU 48 4.396 -8.531 1.208 345 1HB LEU 48 1HB LEU 48 7.010 -7.115 0.880 346 2HB LEU 48 2HB LEU 48 5.538 -6.325 0.349 347 HG LEU 48 HG LEU 48 6.060 -5.580 2.565 348 1HD1 LEU 48 1HD1 LEU 48 3.866 -7.452 3.269 349 2HD1 LEU 48 2HD1 LEU 48 3.961 -5.680 3.404 350 3HD1 LEU 48 3HD1 LEU 48 3.622 -6.436 1.828 351 1HD2 LEU 48 1HD2 LEU 48 7.453 -7.117 3.563 352 2HD2 LEU 48 2HD2 LEU 48 5.936 -7.390 4.453 353 3HD2 LEU 48 3HD2 LEU 48 6.414 -8.501 3.147 354 H GLN 49 H GLN 49 6.885 -9.489 -1.123 355 HA GLN 49 HA GLN 49 5.839 -8.393 -3.393 356 1HB GLN 49 1HB GLN 49 8.021 -9.736 -3.033 357 2HB GLN 49 2HB GLN 49 7.055 -11.178 -3.271 358 1HG GLN 49 1HG GLN 49 6.432 -10.505 -5.518 359 2HG GLN 49 2HG GLN 49 7.065 -8.888 -5.282 360 1HE2 GLN 49 1HE2 GLN 49 8.038 -12.305 -5.155 361 2HE2 GLN 49 2HE2 GLN 49 9.626 -12.109 -5.818 362 H ASP 50 H ASP 50 4.856 -11.323 -1.575 363 HA ASP 50 HA ASP 50 3.145 -12.274 -3.577 364 1HB ASP 50 1HB ASP 50 4.130 -13.505 -1.514 365 2HB ASP 50 2HB ASP 50 2.861 -12.741 -0.579 366 H MET 51 H MET 51 2.902 -9.991 -0.832 367 HA MET 51 HA MET 51 0.095 -9.917 -0.770 368 1HB MET 51 1HB MET 51 2.407 -8.328 0.348 369 2HB MET 51 2HB MET 51 0.849 -7.526 0.334 370 1HG MET 51 1HG MET 51 -0.123 -9.592 1.502 371 2HG MET 51 2HG MET 51 1.515 -10.193 1.668 372 1HE MET 51 1HE MET 51 2.695 -10.049 3.360 373 2HE MET 51 2HE MET 51 2.886 -8.768 4.581 374 3HE MET 51 3HE MET 51 1.537 -9.922 4.706 375 H ILE 52 H ILE 52 2.590 -7.624 -2.096 376 HA ILE 52 HA ILE 52 0.854 -5.775 -3.146 377 HB ILE 52 HB ILE 52 2.715 -5.233 -4.694 378 1HG1 ILE 52 1HG1 ILE 52 4.893 -6.541 -4.159 379 2HG1 ILE 52 2HG1 ILE 52 3.825 -7.816 -3.606 380 1HG2 ILE 52 1HG2 ILE 52 4.437 -5.062 -2.650 381 2HG2 ILE 52 2HG2 ILE 52 2.994 -4.029 -2.795 382 3HG2 ILE 52 3HG2 ILE 52 2.960 -5.463 -1.740 383 1HD1 ILE 52 1HD1 ILE 52 2.930 -6.738 -6.184 384 2HD1 ILE 52 2HD1 ILE 52 4.606 -7.332 -6.262 385 3HD1 ILE 52 3HD1 ILE 52 3.300 -8.419 -5.730 386 H ASN 53 H ASN 53 1.780 -9.001 -4.345 387 HA ASN 53 HA ASN 53 0.905 -8.696 -6.935 388 1HB ASN 53 1HB ASN 53 1.900 -10.784 -5.310 389 2HB ASN 53 2HB ASN 53 0.314 -11.357 -5.787 390 1HD2 ASN 53 1HD2 ASN 53 0.450 -12.657 -7.438 391 2HD2 ASN 53 2HD2 ASN 53 1.432 -12.467 -8.852 392 H GLU 54 H GLU 54 -0.777 -9.334 -3.840 393 HA GLU 54 HA GLU 54 -3.194 -10.161 -5.010 394 1HB GLU 54 1HB GLU 54 -2.390 -10.619 -2.630 395 2HB GLU 54 2HB GLU 54 -2.788 -8.957 -2.241 396 1HG GLU 54 1HG GLU 54 -4.941 -9.568 -1.899 397 2HG GLU 54 2HG GLU 54 -5.074 -10.003 -3.591 398 H VAL 55 H VAL 55 -2.208 -7.069 -3.356 399 HA VAL 55 HA VAL 55 -4.540 -5.687 -3.946 400 HB VAL 55 HB VAL 55 -3.416 -3.806 -3.181 401 1HG1 VAL 55 1HG1 VAL 55 -1.555 -5.723 -1.858 402 2HG1 VAL 55 2HG1 VAL 55 -2.645 -4.505 -1.152 403 3HG1 VAL 55 3HG1 VAL 55 -3.298 -6.058 -1.727 404 1HG2 VAL 55 1HG2 VAL 55 -0.781 -5.064 -4.018 405 2HG2 VAL 55 2HG2 VAL 55 -1.640 -3.768 -4.885 406 3HG2 VAL 55 3HG2 VAL 55 -0.991 -3.469 -3.255 407 H ASP 56 H ASP 56 -1.513 -6.184 -5.819 408 HA ASP 56 HA ASP 56 -1.817 -4.327 -7.735 409 1HB ASP 56 1HB ASP 56 0.103 -5.840 -7.651 410 2HB ASP 56 2HB ASP 56 -0.914 -7.231 -7.969 411 H ALA 57 H ALA 57 -3.708 -3.868 -8.884 412 HA ALA 57 HA ALA 57 -5.367 -6.145 -9.699 413 1HB ALA 57 1HB ALA 57 -7.052 -4.210 -10.075 414 2HB ALA 57 2HB ALA 57 -6.658 -4.657 -8.398 415 3HB ALA 57 3HB ALA 57 -5.910 -3.220 -9.134 416 H ASP 58 H ASP 58 -4.220 -2.898 -10.877 417 HA ASP 58 HA ASP 58 -4.944 -3.036 -13.418 418 1HB ASP 58 1HB ASP 58 -2.074 -2.271 -12.866 419 2HB ASP 58 2HB ASP 58 -3.247 -1.460 -13.883 420 H GLY 59 H GLY 59 -2.301 -4.834 -11.796 421 1HA GLY 59 1HA GLY 59 -1.654 -6.970 -12.575 422 2HA GLY 59 2HA GLY 59 -1.976 -6.470 -14.224 423 H ASP 60 H ASP 60 0.406 -6.751 -11.730 424 HA ASP 60 HA ASP 60 2.517 -6.397 -13.357 425 1HB ASP 60 1HB ASP 60 3.371 -4.110 -12.466 426 2HB ASP 60 2HB ASP 60 2.167 -4.087 -13.739 427 H GLY 61 H GLY 61 1.513 -4.977 -10.143 428 1HA GLY 61 1HA GLY 61 2.175 -6.762 -8.341 429 2HA GLY 61 2HA GLY 61 3.785 -6.296 -8.851 430 H THR 62 H THR 62 3.630 -3.568 -9.303 431 HA THR 62 HA THR 62 3.846 -2.494 -6.773 432 HB THR 62 HB THR 62 3.194 -1.145 -9.448 433 HG1 THR 62 HG1 THR 62 5.163 -2.191 -9.706 434 1HG2 THR 62 1HG2 THR 62 4.298 0.815 -8.531 435 2HG2 THR 62 2HG2 THR 62 3.066 0.338 -7.339 436 3HG2 THR 62 3HG2 THR 62 4.776 -0.069 -7.062 437 H ILE 63 H ILE 63 2.556 -0.713 -5.769 438 HA ILE 63 HA ILE 63 -0.267 -1.475 -5.912 439 HB ILE 63 HB ILE 63 0.964 0.133 -3.706 440 1HG1 ILE 63 1HG1 ILE 63 1.169 -2.870 -4.053 441 2HG1 ILE 63 2HG1 ILE 63 2.489 -1.724 -3.924 442 1HG2 ILE 63 1HG2 ILE 63 -1.512 -1.445 -4.170 443 2HG2 ILE 63 2HG2 ILE 63 -0.807 -1.499 -2.536 444 3HG2 ILE 63 3HG2 ILE 63 -1.256 0.064 -3.260 445 1HD1 ILE 63 1HD1 ILE 63 1.008 -1.161 -1.635 446 2HD1 ILE 63 2HD1 ILE 63 0.830 -2.924 -1.795 447 3HD1 ILE 63 3HD1 ILE 63 2.452 -2.199 -1.697 448 H ASP 64 H ASP 64 -1.677 0.593 -5.089 449 HA ASP 64 HA ASP 64 -0.687 2.988 -6.318 450 1HB ASP 64 1HB ASP 64 -1.928 1.462 -8.067 451 2HB ASP 64 2HB ASP 64 -3.387 1.915 -7.209 452 H PHE 65 H PHE 65 -2.777 4.673 -6.187 453 HA PHE 65 HA PHE 65 -3.353 4.908 -3.473 454 1HB PHE 65 1HB PHE 65 -3.715 6.282 -5.999 455 2HB PHE 65 2HB PHE 65 -5.292 6.226 -5.236 456 HD1 PHE 65 HD1 PHE 65 -5.225 6.874 -2.630 457 HD2 PHE 65 HD2 PHE 65 -2.383 8.100 -5.533 458 HE1 PHE 65 HE1 PHE 65 -4.597 8.831 -1.189 459 HE2 PHE 65 HE2 PHE 65 -1.755 10.056 -4.092 460 HZ PHE 65 HZ PHE 65 -2.869 10.399 -1.937 461 HA PRO 66 HA PRO 66 -7.648 3.275 -4.608 462 1HB PRO 66 1HB PRO 66 -8.122 2.230 -7.088 463 2HB PRO 66 2HB PRO 66 -8.490 3.889 -6.661 464 1HG PRO 66 1HG PRO 66 -6.266 2.849 -8.308 465 2HG PRO 66 2HG PRO 66 -6.895 4.482 -8.218 466 1HD PRO 66 1HD PRO 66 -4.486 3.503 -7.009 467 2HD PRO 66 2HD PRO 66 -5.176 5.103 -6.825 468 H GLU 67 H GLU 67 -4.937 1.569 -5.922 469 HA GLU 67 HA GLU 67 -6.080 -0.966 -5.533 470 1HB GLU 67 1HB GLU 67 -3.273 0.062 -6.018 471 2HB GLU 67 2HB GLU 67 -3.531 -1.630 -5.643 472 1HG GLU 67 1HG GLU 67 -5.149 -1.801 -7.551 473 2HG GLU 67 2HG GLU 67 -4.876 -0.112 -7.930 474 H PHE 68 H PHE 68 -3.837 1.121 -3.610 475 HA PHE 68 HA PHE 68 -3.409 -0.749 -1.572 476 1HB PHE 68 1HB PHE 68 -2.148 1.429 -2.166 477 2HB PHE 68 2HB PHE 68 -3.495 2.326 -1.495 478 HD1 PHE 68 HD1 PHE 68 -1.432 3.259 -0.174 479 HD2 PHE 68 HD2 PHE 68 -3.043 -0.630 0.366 480 HE1 PHE 68 HE1 PHE 68 -0.379 3.138 2.101 481 HE2 PHE 68 HE2 PHE 68 -1.991 -0.750 2.641 482 HZ PHE 68 HZ PHE 68 -0.671 1.135 3.482 483 H LEU 69 H LEU 69 -5.805 1.934 -1.965 484 HA LEU 69 HA LEU 69 -6.910 1.854 0.546 485 1HB LEU 69 1HB LEU 69 -8.338 3.332 -0.292 486 2HB LEU 69 2HB LEU 69 -7.321 3.261 -1.717 487 HG LEU 69 HG LEU 69 -8.933 1.359 -2.488 488 1HD1 LEU 69 1HD1 LEU 69 -11.274 2.440 -1.383 489 2HD1 LEU 69 2HD1 LEU 69 -10.576 0.828 -1.093 490 3HD1 LEU 69 3HD1 LEU 69 -10.171 2.181 -0.010 491 1HD2 LEU 69 1HD2 LEU 69 -10.560 3.705 -2.763 492 2HD2 LEU 69 2HD2 LEU 69 -8.842 4.160 -2.875 493 3HD2 LEU 69 3HD2 LEU 69 -9.506 2.914 -3.959 494 H THR 70 H THR 70 -7.280 -0.382 -2.200 495 HA THR 70 HA THR 70 -9.544 -1.726 -1.105 496 HB THR 70 HB THR 70 -7.555 -2.145 -3.362 497 HG1 THR 70 HG1 THR 70 -9.617 -0.751 -3.257 498 1HG2 THR 70 1HG2 THR 70 -8.283 -4.411 -2.221 499 2HG2 THR 70 2HG2 THR 70 -9.902 -4.011 -2.845 500 3HG2 THR 70 3HG2 THR 70 -8.542 -4.227 -3.972 501 H MET 71 H MET 71 -6.013 -2.013 -0.771 502 HA MET 71 HA MET 71 -5.966 -4.575 0.244 503 1HB MET 71 1HB MET 71 -3.972 -3.196 -0.461 504 2HB MET 71 2HB MET 71 -4.206 -2.154 0.929 505 1HG MET 71 1HG MET 71 -4.088 -4.998 1.704 506 2HG MET 71 2HG MET 71 -2.643 -4.497 0.848 507 1HE MET 71 1HE MET 71 -1.061 -2.326 1.747 508 2HE MET 71 2HE MET 71 -0.627 -2.861 3.388 509 3HE MET 71 3HE MET 71 -0.811 -4.056 2.082 510 H MET 72 H MET 72 -5.853 -1.435 2.091 511 HA MET 72 HA MET 72 -6.082 -2.596 4.567 512 1HB MET 72 1HB MET 72 -6.888 -0.264 5.242 513 2HB MET 72 2HB MET 72 -5.421 -0.254 4.283 514 1HG MET 72 1HG MET 72 -6.580 1.310 3.044 515 2HG MET 72 2HG MET 72 -7.236 -0.112 2.258 516 1HE MET 72 1HE MET 72 -9.851 2.732 2.744 517 2HE MET 72 2HE MET 72 -8.499 2.106 1.770 518 3HE MET 72 3HE MET 72 -10.059 1.247 1.785 519 H ALA 73 H ALA 73 -8.620 -1.470 2.265 520 HA ALA 73 HA ALA 73 -10.791 -1.763 3.990 521 1HB ALA 73 1HB ALA 73 -11.498 -0.655 2.143 522 2HB ALA 73 2HB ALA 73 -10.274 -1.419 1.101 523 3HB ALA 73 3HB ALA 73 -11.788 -2.278 1.472 524 H ARG 74 H ARG 74 -9.464 -4.030 1.473 525 HA ARG 74 HA ARG 74 -11.209 -6.068 2.077 526 1HB ARG 74 1HB ARG 74 -8.406 -6.050 0.872 527 2HB ARG 74 2HB ARG 74 -9.330 -7.532 1.016 528 1HG ARG 74 1HG ARG 74 -11.095 -5.576 -0.119 529 2HG ARG 74 2HG ARG 74 -9.572 -5.430 -0.973 530 1HD ARG 74 1HD ARG 74 -9.845 -7.438 -2.032 531 2HD ARG 74 2HD ARG 74 -10.318 -8.252 -0.554 532 HE ARG 74 HE ARG 74 -12.591 -7.801 -1.028 533 1HH1 ARG 74 2HH2 ARG 74 -10.501 -6.080 -3.275 534 2HH1 ARG 74 1HH2 ARG 74 -11.793 -5.645 -4.344 535 1HH2 ARG 74 2HH1 ARG 74 -14.297 -7.227 -2.436 536 2HH2 ARG 74 1HH1 ARG 74 -13.967 -6.302 -3.863 537 H LYS 75 H LYS 75 -7.999 -5.165 3.423 538 HA LYS 75 HA LYS 75 -7.252 -7.362 4.775 539 1HB LYS 75 1HB LYS 75 -6.851 -4.497 5.016 540 2HB LYS 75 2HB LYS 75 -6.849 -5.257 6.594 541 1HG LYS 75 1HG LYS 75 -5.333 -6.721 4.473 542 2HG LYS 75 2HG LYS 75 -4.665 -5.168 4.931 543 1HD LYS 75 1HD LYS 75 -3.630 -6.641 6.457 544 2HD LYS 75 2HD LYS 75 -4.953 -5.985 7.399 545 1HE LYS 75 1HE LYS 75 -6.322 -8.049 6.501 546 2HE LYS 75 2HE LYS 75 -4.756 -8.718 6.089 547 1HZ LYS 75 1HZ LYS 75 -5.579 -9.283 8.329 548 2HZ LYS 75 2HZ LYS 75 -4.098 -8.594 8.333 549 3HZ LYS 75 3HZ LYS 75 -5.407 -7.720 8.771 550 H MET 76 H MET 76 -9.501 -4.843 6.132 551 HA MET 76 HA MET 76 -10.099 -6.196 8.418 552 1HB MET 76 1HB MET 76 -11.578 -4.208 6.654 553 2HB MET 76 2HB MET 76 -12.408 -4.872 8.047 554 1HG MET 76 1HG MET 76 -10.329 -4.166 9.435 555 2HG MET 76 2HG MET 76 -9.825 -3.251 8.028 556 1HE MET 76 1HE MET 76 -11.447 -2.020 11.342 557 2HE MET 76 2HE MET 76 -9.915 -2.072 10.438 558 3HE MET 76 3HE MET 76 -10.926 -0.607 10.393 559 H LYS 77 H LYS 77 -11.599 -6.463 5.150 560 HA LYS 77 HA LYS 77 -13.730 -8.095 5.898 561 1HB LYS 77 1HB LYS 77 -12.525 -7.087 3.470 562 2HB LYS 77 2HB LYS 77 -12.967 -8.770 3.264 563 1HG LYS 77 1HG LYS 77 -15.005 -7.784 2.746 564 2HG LYS 77 2HG LYS 77 -15.228 -7.998 4.471 565 1HD LYS 77 1HD LYS 77 -15.225 -5.748 4.869 566 2HD LYS 77 2HD LYS 77 -13.829 -5.478 3.844 567 1HE LYS 77 1HE LYS 77 -15.673 -4.305 2.815 568 2HE LYS 77 2HE LYS 77 -15.360 -5.711 1.817 569 1HZ LYS 77 1HZ LYS 77 -17.714 -5.053 3.040 570 2HZ LYS 77 2HZ LYS 77 -17.381 -6.435 2.237 571 3HZ LYS 77 3HZ LYS 77 -17.173 -6.360 3.855 572 H ASP 78 H ASP 78 -10.426 -8.928 4.652 573 HA ASP 78 HA ASP 78 -10.795 -11.645 4.713 574 1HB ASP 78 1HB ASP 78 -8.553 -9.745 4.557 575 2HB ASP 78 2HB ASP 78 -8.093 -11.200 5.418 576 H THR 79 H THR 79 -9.067 -9.497 7.112 577 HA THR 79 HA THR 79 -8.746 -11.477 9.065 578 HB THR 79 HB THR 79 -7.609 -9.139 8.720 579 HG1 THR 79 HG1 THR 79 -6.956 -9.631 10.790 580 1HG2 THR 79 1HG2 THR 79 -10.168 -8.166 9.229 581 2HG2 THR 79 2HG2 THR 79 -9.424 -8.123 10.845 582 3HG2 THR 79 3HG2 THR 79 -8.668 -7.245 9.494 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -17.839 7.929 5.039 2 HA ALA 1 HA ALA 1 -19.658 8.406 2.970 3 1HB ALA 1 1HB ALA 1 -16.955 7.525 3.327 4 2HB ALA 1 2HB ALA 1 -17.770 6.374 2.242 5 3HB ALA 1 3HB ALA 1 -17.742 8.108 1.840 6 H ASP 2 H ASP 2 -19.772 6.139 1.375 7 HA ASP 2 HA ASP 2 -21.963 4.857 2.446 8 1HB ASP 2 1HB ASP 2 -20.147 4.474 0.091 9 2HB ASP 2 2HB ASP 2 -21.115 3.084 0.541 10 H GLN 3 H GLN 3 -18.470 4.260 2.619 11 HA GLN 3 HA GLN 3 -19.023 2.000 4.344 12 1HB GLN 3 1HB GLN 3 -17.035 1.958 2.031 13 2HB GLN 3 2HB GLN 3 -17.094 0.743 3.292 14 1HG GLN 3 1HG GLN 3 -19.774 0.967 2.414 15 2HG GLN 3 2HG GLN 3 -18.827 1.065 0.942 16 1HE2 GLN 3 1HE2 GLN 3 -20.029 -0.913 3.431 17 2HE2 GLN 3 2HE2 GLN 3 -19.301 -2.419 2.981 18 H LEU 4 H LEU 4 -16.071 3.556 2.891 19 HA LEU 4 HA LEU 4 -15.449 5.048 5.170 20 1HB LEU 4 1HB LEU 4 -13.579 3.769 6.061 21 2HB LEU 4 2HB LEU 4 -15.114 2.955 6.287 22 HG LEU 4 HG LEU 4 -13.441 1.334 5.710 23 1HD1 LEU 4 1HD1 LEU 4 -15.784 1.155 4.753 24 2HD1 LEU 4 2HD1 LEU 4 -15.093 1.705 3.207 25 3HD1 LEU 4 3HD1 LEU 4 -14.522 0.191 3.950 26 1HD2 LEU 4 1HD2 LEU 4 -12.034 1.397 3.820 27 2HD2 LEU 4 2HD2 LEU 4 -12.947 2.733 3.079 28 3HD2 LEU 4 3HD2 LEU 4 -11.956 3.028 4.528 29 H THR 5 H THR 5 -15.639 5.217 2.249 30 HA THR 5 HA THR 5 -12.991 5.212 1.190 31 HB THR 5 HB THR 5 -15.536 6.586 0.184 32 HG1 THR 5 HG1 THR 5 -15.984 4.484 -0.626 33 1HG2 THR 5 1HG2 THR 5 -14.572 6.260 -2.023 34 2HG2 THR 5 2HG2 THR 5 -13.308 7.034 -1.037 35 3HG2 THR 5 3HG2 THR 5 -13.239 5.285 -1.358 36 H GLU 6 H GLU 6 -15.272 7.904 2.049 37 HA GLU 6 HA GLU 6 -13.454 9.900 1.619 38 1HB GLU 6 1HB GLU 6 -15.808 10.390 1.912 39 2HB GLU 6 2HB GLU 6 -15.817 9.715 3.529 40 1HG GLU 6 1HG GLU 6 -14.879 11.597 4.475 41 2HG GLU 6 2HG GLU 6 -13.817 11.886 3.111 42 H GLU 7 H GLU 7 -14.254 8.179 4.717 43 HA GLU 7 HA GLU 7 -12.577 9.557 6.345 44 1HB GLU 7 1HB GLU 7 -13.043 6.553 6.525 45 2HB GLU 7 2HB GLU 7 -12.706 7.652 7.847 46 1HG GLU 7 1HG GLU 7 -14.975 8.750 6.530 47 2HG GLU 7 2HG GLU 7 -15.267 7.023 6.583 48 H GLN 8 H GLN 8 -11.848 6.619 4.347 49 HA GLN 8 HA GLN 8 -9.197 6.456 5.198 50 1HB GLN 8 1HB GLN 8 -10.872 5.249 3.030 51 2HB GLN 8 2HB GLN 8 -9.138 5.198 2.782 52 1HG GLN 8 1HG GLN 8 -10.555 4.209 5.302 53 2HG GLN 8 2HG GLN 8 -10.026 3.174 3.991 54 1HE2 GLN 8 1HE2 GLN 8 -8.935 2.265 5.983 55 2HE2 GLN 8 2HE2 GLN 8 -7.324 2.801 6.326 56 H ILE 9 H ILE 9 -10.646 7.685 2.092 57 HA ILE 9 HA ILE 9 -8.462 8.500 0.785 58 HB ILE 9 HB ILE 9 -11.170 9.759 1.084 59 1HG1 ILE 9 1HG1 ILE 9 -10.928 7.555 -0.048 60 2HG1 ILE 9 2HG1 ILE 9 -11.591 8.813 -1.072 61 1HG2 ILE 9 1HG2 ILE 9 -9.713 11.618 0.595 62 2HG2 ILE 9 2HG2 ILE 9 -8.925 10.706 -0.716 63 3HG2 ILE 9 3HG2 ILE 9 -10.632 11.187 -0.867 64 1HD1 ILE 9 1HD1 ILE 9 -9.866 8.649 -2.536 65 2HD1 ILE 9 2HD1 ILE 9 -8.664 8.774 -1.230 66 3HD1 ILE 9 3HD1 ILE 9 -9.364 7.192 -1.646 67 H ALA 10 H ALA 10 -9.933 10.080 3.653 68 HA ALA 10 HA ALA 10 -8.433 12.417 3.592 69 1HB ALA 10 1HB ALA 10 -10.005 12.656 5.202 70 2HB ALA 10 2HB ALA 10 -10.108 10.902 5.483 71 3HB ALA 10 3HB ALA 10 -8.833 11.857 6.277 72 H GLU 11 H GLU 11 -7.824 9.337 5.433 73 HA GLU 11 HA GLU 11 -5.303 10.196 6.277 74 1HB GLU 11 1HB GLU 11 -6.850 7.625 6.305 75 2HB GLU 11 2HB GLU 11 -5.119 7.507 6.548 76 1HG GLU 11 1HG GLU 11 -5.314 9.271 8.369 77 2HG GLU 11 2HG GLU 11 -7.055 9.217 8.178 78 H PHE 12 H PHE 12 -6.414 8.004 3.616 79 HA PHE 12 HA PHE 12 -3.953 7.192 2.716 80 1HB PHE 12 1HB PHE 12 -6.755 7.528 1.757 81 2HB PHE 12 2HB PHE 12 -5.599 7.621 0.443 82 HD1 PHE 12 HD1 PHE 12 -6.053 5.493 3.489 83 HD2 PHE 12 HD2 PHE 12 -5.287 5.647 -0.682 84 HE1 PHE 12 HE1 PHE 12 -5.931 2.987 3.419 85 HE2 PHE 12 HE2 PHE 12 -5.164 3.141 -0.752 86 HZ PHE 12 HZ PHE 12 -5.488 1.841 1.299 87 H LYS 13 H LYS 13 -5.832 10.165 1.862 88 HA LYS 13 HA LYS 13 -4.300 11.117 -0.170 89 1HB LYS 13 1HB LYS 13 -6.398 12.124 0.587 90 2HB LYS 13 2HB LYS 13 -5.633 12.675 2.064 91 1HG LYS 13 1HG LYS 13 -4.699 14.478 1.031 92 2HG LYS 13 2HG LYS 13 -4.088 13.503 -0.291 93 1HD LYS 13 1HD LYS 13 -7.048 13.915 -0.284 94 2HD LYS 13 2HD LYS 13 -6.097 15.363 -0.548 95 1HE LYS 13 1HE LYS 13 -5.106 13.052 -2.109 96 2HE LYS 13 2HE LYS 13 -6.765 13.465 -2.495 97 1HZ LYS 13 1HZ LYS 13 -5.078 15.743 -2.260 98 2HZ LYS 13 2HZ LYS 13 -4.596 14.723 -3.440 99 3HZ LYS 13 3HZ LYS 13 -6.110 15.333 -3.457 100 H GLU 14 H GLU 14 -3.821 11.909 3.350 101 HA GLU 14 HA GLU 14 -1.364 13.142 2.842 102 1HB GLU 14 1HB GLU 14 -3.099 12.634 5.108 103 2HB GLU 14 2HB GLU 14 -1.450 12.248 5.559 104 1HG GLU 14 1HG GLU 14 -0.663 14.455 5.007 105 2HG GLU 14 2HG GLU 14 -2.121 14.841 4.115 106 H ALA 15 H ALA 15 -2.264 9.892 4.183 107 HA ALA 15 HA ALA 15 0.197 8.910 4.755 108 1HB ALA 15 1HB ALA 15 -2.083 7.428 3.384 109 2HB ALA 15 2HB ALA 15 -0.794 6.704 4.375 110 3HB ALA 15 3HB ALA 15 -1.994 7.783 5.126 111 H PHE 16 H PHE 16 -1.426 9.045 1.523 112 HA PHE 16 HA PHE 16 0.169 7.645 -0.047 113 1HB PHE 16 1HB PHE 16 -1.742 9.431 -0.486 114 2HB PHE 16 2HB PHE 16 -0.440 10.598 -0.610 115 HD1 PHE 16 HD1 PHE 16 -0.571 7.089 -1.856 116 HD2 PHE 16 HD2 PHE 16 -0.410 11.211 -2.851 117 HE1 PHE 16 HE1 PHE 16 -0.268 6.493 -4.276 118 HE2 PHE 16 HE2 PHE 16 -0.107 10.616 -5.271 119 HZ PHE 16 HZ PHE 16 -0.040 8.264 -5.954 120 H SER 17 H SER 17 0.998 10.919 1.260 121 HA SER 17 HA SER 17 3.307 11.306 -0.116 122 1HB SER 17 1HB SER 17 2.383 13.061 1.258 123 2HB SER 17 2HB SER 17 2.503 12.089 2.712 124 HG SER 17 HG SER 17 4.853 12.774 1.189 125 H LEU 18 H LEU 18 2.873 9.703 3.121 126 HA LEU 18 HA LEU 18 5.609 8.976 3.294 127 1HB LEU 18 1HB LEU 18 3.124 8.206 4.812 128 2HB LEU 18 2HB LEU 18 4.688 7.498 5.162 129 HG LEU 18 HG LEU 18 4.101 10.469 5.258 130 1HD1 LEU 18 1HD1 LEU 18 4.380 8.579 7.605 131 2HD1 LEU 18 2HD1 LEU 18 3.951 10.306 7.635 132 3HD1 LEU 18 3HD1 LEU 18 2.821 9.120 6.938 133 1HD2 LEU 18 1HD2 LEU 18 6.347 10.533 5.082 134 2HD2 LEU 18 2HD2 LEU 18 6.285 10.107 6.809 135 3HD2 LEU 18 3HD2 LEU 18 6.548 8.838 5.589 136 H PHE 19 H PHE 19 2.566 7.090 2.659 137 HA PHE 19 HA PHE 19 3.634 4.651 2.243 138 1HB PHE 19 1HB PHE 19 1.408 6.306 0.990 139 2HB PHE 19 2HB PHE 19 1.727 4.727 0.301 140 HD1 PHE 19 HD1 PHE 19 2.414 3.215 2.791 141 HD2 PHE 19 HD2 PHE 19 -0.679 6.010 2.000 142 HE1 PHE 19 HE1 PHE 19 0.999 2.152 4.571 143 HE2 PHE 19 HE2 PHE 19 -2.095 4.947 3.780 144 HZ PHE 19 HZ PHE 19 -1.239 3.031 5.044 145 H ASP 20 H ASP 20 3.547 7.402 -0.093 146 HA ASP 20 HA ASP 20 4.861 5.769 -2.051 147 1HB ASP 20 1HB ASP 20 3.063 7.601 -2.484 148 2HB ASP 20 2HB ASP 20 4.337 8.767 -2.185 149 H LYS 21 H LYS 21 7.040 5.421 -1.436 150 HA LYS 21 HA LYS 21 8.543 7.431 -0.105 151 1HB LYS 21 1HB LYS 21 9.557 4.915 -1.454 152 2HB LYS 21 2HB LYS 21 10.352 5.845 -0.199 153 1HG LYS 21 1HG LYS 21 7.622 4.535 0.182 154 2HG LYS 21 2HG LYS 21 9.128 3.739 0.595 155 1HD LYS 21 1HD LYS 21 9.669 5.416 2.261 156 2HD LYS 21 2HD LYS 21 8.398 6.485 1.699 157 1HE LYS 21 1HE LYS 21 6.684 4.767 2.385 158 2HE LYS 21 2HE LYS 21 7.972 3.752 3.001 159 1HZ LYS 21 1HZ LYS 21 8.593 5.766 4.367 160 2HZ LYS 21 2HZ LYS 21 7.123 6.368 3.988 161 3HZ LYS 21 3HZ LYS 21 7.242 4.961 4.809 162 H ASP 22 H ASP 22 8.838 5.921 -3.403 163 HA ASP 22 HA ASP 22 10.764 7.552 -4.349 164 1HB ASP 22 1HB ASP 22 8.389 6.190 -5.644 165 2HB ASP 22 2HB ASP 22 9.417 7.216 -6.625 166 H GLY 23 H GLY 23 7.149 7.969 -4.591 167 1HA GLY 23 1HA GLY 23 6.036 9.993 -4.291 168 2HA GLY 23 2HA GLY 23 7.513 10.876 -4.620 169 H ASP 24 H ASP 24 6.323 8.126 -6.597 170 HA ASP 24 HA ASP 24 6.041 10.032 -8.776 171 1HB ASP 24 1HB ASP 24 6.422 8.127 -10.277 172 2HB ASP 24 2HB ASP 24 7.711 8.209 -9.093 173 H GLY 25 H GLY 25 4.153 8.791 -6.468 174 1HA GLY 25 1HA GLY 25 1.855 8.743 -6.433 175 2HA GLY 25 2HA GLY 25 1.808 8.616 -8.181 176 H THR 26 H THR 26 4.062 6.403 -7.798 177 HA THR 26 HA THR 26 2.117 4.246 -7.353 178 HB THR 26 HB THR 26 4.843 4.034 -8.700 179 HG1 THR 26 HG1 THR 26 3.684 4.717 -10.611 180 1HG2 THR 26 1HG2 THR 26 4.072 1.922 -9.111 181 2HG2 THR 26 2HG2 THR 26 2.523 2.301 -8.319 182 3HG2 THR 26 3HG2 THR 26 2.744 2.644 -10.051 183 H ILE 27 H ILE 27 2.384 2.700 -5.809 184 HA ILE 27 HA ILE 27 4.619 3.196 -3.981 185 HB ILE 27 HB ILE 27 1.818 2.222 -3.655 186 1HG1 ILE 27 1HG1 ILE 27 2.027 3.729 -1.624 187 2HG1 ILE 27 2HG1 ILE 27 3.602 4.206 -2.225 188 1HG2 ILE 27 1HG2 ILE 27 4.165 1.404 -1.947 189 2HG2 ILE 27 2HG2 ILE 27 2.512 1.509 -1.296 190 3HG2 ILE 27 3HG2 ILE 27 2.872 0.394 -2.636 191 1HD1 ILE 27 1HD1 ILE 27 1.048 4.405 -3.882 192 2HD1 ILE 27 2HD1 ILE 27 1.712 5.746 -2.919 193 3HD1 ILE 27 3HD1 ILE 27 2.643 5.084 -4.284 194 H THR 28 H THR 28 6.301 2.029 -4.914 195 HA THR 28 HA THR 28 5.959 -0.515 -6.067 196 HB THR 28 HB THR 28 8.361 1.008 -4.935 197 HG1 THR 28 HG1 THR 28 7.458 1.969 -6.811 198 1HG2 THR 28 1HG2 THR 28 8.427 -1.288 -6.941 199 2HG2 THR 28 2HG2 THR 28 9.796 -0.529 -6.095 200 3HG2 THR 28 3HG2 THR 28 8.668 -1.576 -5.201 201 H THR 29 H THR 29 6.796 -2.591 -5.302 202 HA THR 29 HA THR 29 5.662 -3.330 -2.891 203 HB THR 29 HB THR 29 6.801 -5.459 -3.332 204 HG1 THR 29 HG1 THR 29 8.772 -5.374 -4.411 205 1HG2 THR 29 1HG2 THR 29 5.165 -4.382 -5.194 206 2HG2 THR 29 2HG2 THR 29 6.672 -4.358 -6.140 207 3HG2 THR 29 3HG2 THR 29 6.043 -5.898 -5.506 208 H LYS 30 H LYS 30 9.131 -2.586 -3.614 209 HA LYS 30 HA LYS 30 10.050 -3.095 -1.045 210 1HB LYS 30 1HB LYS 30 12.044 -2.009 -1.723 211 2HB LYS 30 2HB LYS 30 11.405 -2.807 -3.146 212 1HG LYS 30 1HG LYS 30 10.216 -0.501 -3.620 213 2HG LYS 30 2HG LYS 30 11.368 0.153 -2.473 214 1HD LYS 30 1HD LYS 30 13.132 -1.209 -3.964 215 2HD LYS 30 2HD LYS 30 11.879 -1.082 -5.182 216 1HE LYS 30 1HE LYS 30 11.832 1.412 -4.850 217 2HE LYS 30 2HE LYS 30 13.118 1.268 -3.668 218 1HZ LYS 30 1HZ LYS 30 14.425 0.179 -5.460 219 2HZ LYS 30 2HZ LYS 30 13.262 0.611 -6.522 220 3HZ LYS 30 3HZ LYS 30 14.101 1.759 -5.720 221 H GLU 31 H GLU 31 8.472 -0.228 -2.495 222 HA GLU 31 HA GLU 31 9.055 1.470 -0.352 223 1HB GLU 31 1HB GLU 31 6.871 1.549 -2.476 224 2HB GLU 31 2HB GLU 31 7.150 2.852 -1.338 225 1HG GLU 31 1HG GLU 31 9.511 3.055 -2.156 226 2HG GLU 31 2HG GLU 31 9.225 1.758 -3.299 227 H LEU 32 H LEU 32 6.520 -0.945 -0.991 228 HA LEU 32 HA LEU 32 4.692 -0.072 0.944 229 1HB LEU 32 1HB LEU 32 3.945 -1.520 -0.746 230 2HB LEU 32 2HB LEU 32 5.213 -2.690 -0.439 231 HG LEU 32 HG LEU 32 3.024 -2.081 1.559 232 1HD1 LEU 32 1HD1 LEU 32 2.247 -4.453 0.650 233 2HD1 LEU 32 2HD1 LEU 32 1.689 -2.929 -0.081 234 3HD1 LEU 32 3HD1 LEU 32 3.008 -3.851 -0.842 235 1HD2 LEU 32 1HD2 LEU 32 4.267 -3.329 2.910 236 2HD2 LEU 32 2HD2 LEU 32 3.952 -4.711 1.833 237 3HD2 LEU 32 3HD2 LEU 32 5.409 -3.715 1.600 238 H GLY 33 H GLY 33 7.428 -2.439 1.054 239 1HA GLY 33 1HA GLY 33 7.034 -3.163 3.761 240 2HA GLY 33 2HA GLY 33 8.476 -3.405 2.796 241 H THR 34 H THR 34 8.363 -0.310 2.205 242 HA THR 34 HA THR 34 10.185 0.392 4.271 243 HB THR 34 HB THR 34 8.799 2.115 2.150 244 HG1 THR 34 HG1 THR 34 10.876 1.449 1.033 245 1HG2 THR 34 1HG2 THR 34 11.397 2.954 2.321 246 2HG2 THR 34 2HG2 THR 34 10.085 3.702 3.263 247 3HG2 THR 34 3HG2 THR 34 11.129 2.470 4.012 248 H VAL 35 H VAL 35 6.738 1.156 3.580 249 HA VAL 35 HA VAL 35 6.550 2.995 5.731 250 HB VAL 35 HB VAL 35 4.366 1.462 4.310 251 1HG1 VAL 35 1HG1 VAL 35 3.081 3.606 4.841 252 2HG1 VAL 35 2HG1 VAL 35 3.440 2.527 6.211 253 3HG1 VAL 35 3HG1 VAL 35 4.408 3.999 5.960 254 1HG2 VAL 35 1HG2 VAL 35 5.103 4.233 3.483 255 2HG2 VAL 35 2HG2 VAL 35 6.172 2.908 2.964 256 3HG2 VAL 35 3HG2 VAL 35 4.448 2.884 2.524 257 H MET 36 H MET 36 5.542 -0.459 5.253 258 HA MET 36 HA MET 36 4.347 -0.932 7.588 259 1HB MET 36 1HB MET 36 6.415 -2.676 6.136 260 2HB MET 36 2HB MET 36 5.317 -3.292 7.355 261 1HG MET 36 1HG MET 36 4.309 -1.837 4.872 262 2HG MET 36 2HG MET 36 4.596 -3.566 4.879 263 1HE MET 36 1HE MET 36 2.287 -2.555 3.997 264 2HE MET 36 2HE MET 36 1.194 -3.777 4.691 265 3HE MET 36 3HE MET 36 0.949 -2.052 5.057 266 H ARG 37 H ARG 37 7.924 -1.394 7.058 267 HA ARG 37 HA ARG 37 8.457 -1.902 9.710 268 1HB ARG 37 1HB ARG 37 10.845 -1.326 9.074 269 2HB ARG 37 2HB ARG 37 10.080 -2.459 7.978 270 1HG ARG 37 1HG ARG 37 10.880 -1.001 6.383 271 2HG ARG 37 2HG ARG 37 9.377 -0.164 6.718 272 1HD ARG 37 1HD ARG 37 10.457 1.623 7.644 273 2HD ARG 37 2HD ARG 37 11.476 0.599 8.635 274 HE ARG 37 HE ARG 37 12.447 0.304 6.011 275 1HH1 ARG 37 2HH2 ARG 37 12.039 2.936 8.310 276 2HH1 ARG 37 1HH2 ARG 37 13.373 3.852 7.692 277 1HH2 ARG 37 2HH1 ARG 37 14.206 1.513 5.195 278 2HH2 ARG 37 1HH1 ARG 37 14.614 3.037 5.908 279 H SER 38 H SER 38 8.324 1.151 7.812 280 HA SER 38 HA SER 38 9.563 2.877 9.433 281 1HB SER 38 1HB SER 38 7.746 3.029 7.289 282 2HB SER 38 2HB SER 38 6.979 3.969 8.553 283 HG SER 38 HG SER 38 9.526 4.724 8.633 284 H LEU 39 H LEU 39 6.587 1.098 10.062 285 HA LEU 39 HA LEU 39 5.733 2.836 12.182 286 1HB LEU 39 1HB LEU 39 4.808 0.128 11.222 287 2HB LEU 39 2HB LEU 39 4.078 0.987 12.564 288 HG LEU 39 HG LEU 39 4.292 2.525 10.038 289 1HD1 LEU 39 1HD1 LEU 39 2.803 1.367 8.744 290 2HD1 LEU 39 2HD1 LEU 39 3.649 0.014 9.533 291 3HD1 LEU 39 3HD1 LEU 39 2.058 0.541 10.133 292 1HD2 LEU 39 1HD2 LEU 39 3.112 3.061 12.340 293 2HD2 LEU 39 2HD2 LEU 39 2.413 3.590 10.790 294 3HD2 LEU 39 3HD2 LEU 39 1.776 2.142 11.606 295 H GLY 40 H GLY 40 7.402 -0.342 11.828 296 1HA GLY 40 1HA GLY 40 9.086 -0.107 13.956 297 2HA GLY 40 2HA GLY 40 7.610 -0.728 14.669 298 H GLN 41 H GLN 41 6.766 -2.186 12.185 299 HA GLN 41 HA GLN 41 7.962 -4.606 12.780 300 1HB GLN 41 1HB GLN 41 6.419 -3.748 10.291 301 2HB GLN 41 2HB GLN 41 6.785 -5.411 10.705 302 1HG GLN 41 1HG GLN 41 5.641 -4.246 13.053 303 2HG GLN 41 2HG GLN 41 4.649 -3.709 11.712 304 1HE2 GLN 41 1HE2 GLN 41 4.894 -5.981 13.976 305 2HE2 GLN 41 2HE2 GLN 41 4.143 -7.345 13.216 306 H ASN 42 H ASN 42 8.649 -5.902 10.410 307 HA ASN 42 HA ASN 42 10.470 -4.372 8.908 308 1HB ASN 42 1HB ASN 42 11.566 -5.071 11.309 309 2HB ASN 42 2HB ASN 42 11.898 -6.549 10.429 310 1HD2 ASN 42 1HD2 ASN 42 11.890 -3.052 9.721 311 2HD2 ASN 42 2HD2 ASN 42 13.457 -2.974 8.989 312 HA PRO 43 HA PRO 43 8.943 -8.471 7.408 313 1HB PRO 43 1HB PRO 43 7.194 -7.618 5.489 314 2HB PRO 43 2HB PRO 43 6.698 -8.054 7.112 315 1HG PRO 43 1HG PRO 43 6.969 -5.364 5.918 316 2HG PRO 43 2HG PRO 43 6.089 -5.843 7.356 317 1HD PRO 43 1HD PRO 43 8.627 -4.510 7.261 318 2HD PRO 43 2HD PRO 43 7.802 -5.093 8.693 319 H THR 44 H THR 44 8.961 -9.427 5.099 320 HA THR 44 HA THR 44 11.294 -8.169 3.837 321 HB THR 44 HB THR 44 11.298 -10.567 2.732 322 HG1 THR 44 HG1 THR 44 9.032 -10.842 3.655 323 1HG2 THR 44 1HG2 THR 44 12.674 -11.379 4.443 324 2HG2 THR 44 2HG2 THR 44 12.657 -9.656 4.887 325 3HG2 THR 44 3HG2 THR 44 11.585 -10.803 5.726 326 H GLU 45 H GLU 45 11.400 -7.861 1.561 327 HA GLU 45 HA GLU 45 8.987 -6.885 0.541 328 1HB GLU 45 1HB GLU 45 10.301 -6.402 -1.491 329 2HB GLU 45 2HB GLU 45 11.187 -5.933 -0.054 330 1HG GLU 45 1HG GLU 45 12.063 -8.518 -0.320 331 2HG GLU 45 2HG GLU 45 11.753 -8.134 -2.001 332 H ALA 46 H ALA 46 10.438 -10.044 0.598 333 HA ALA 46 HA ALA 46 9.327 -11.024 -1.818 334 1HB ALA 46 1HB ALA 46 10.692 -12.116 0.615 335 2HB ALA 46 2HB ALA 46 9.744 -13.250 -0.376 336 3HB ALA 46 3HB ALA 46 11.082 -12.333 -1.108 337 H GLU 47 H GLU 47 8.439 -11.563 1.672 338 HA GLU 47 HA GLU 47 6.141 -12.924 1.196 339 1HB GLU 47 1HB GLU 47 6.870 -11.010 3.448 340 2HB GLU 47 2HB GLU 47 5.419 -11.992 3.479 341 1HG GLU 47 1HG GLU 47 8.170 -13.218 3.025 342 2HG GLU 47 2HG GLU 47 7.535 -12.954 4.637 343 H LEU 48 H LEU 48 6.681 -9.362 1.318 344 HA LEU 48 HA LEU 48 3.931 -8.731 1.046 345 1HB LEU 48 1HB LEU 48 6.515 -7.222 0.868 346 2HB LEU 48 2HB LEU 48 5.020 -6.465 0.352 347 HG LEU 48 HG LEU 48 5.446 -5.797 2.599 348 1HD1 LEU 48 1HD1 LEU 48 3.368 -6.118 3.460 349 2HD1 LEU 48 2HD1 LEU 48 3.080 -6.748 1.820 350 3HD1 LEU 48 3HD1 LEU 48 3.387 -7.873 3.164 351 1HD2 LEU 48 1HD2 LEU 48 6.973 -7.323 3.470 352 2HD2 LEU 48 2HD2 LEU 48 5.504 -7.613 4.432 353 3HD2 LEU 48 3HD2 LEU 48 5.936 -8.724 3.109 354 H GLN 49 H GLN 49 6.481 -9.742 -1.134 355 HA GLN 49 HA GLN 49 5.625 -8.541 -3.449 356 1HB GLN 49 1HB GLN 49 7.748 -9.947 -2.980 357 2HB GLN 49 2HB GLN 49 6.762 -11.359 -3.307 358 1HG GLN 49 1HG GLN 49 6.357 -10.700 -5.577 359 2HG GLN 49 2HG GLN 49 6.864 -9.049 -5.281 360 1HE2 GLN 49 1HE2 GLN 49 9.087 -8.608 -4.845 361 2HE2 GLN 49 2HE2 GLN 49 10.341 -9.621 -5.479 362 H ASP 50 H ASP 50 4.430 -11.435 -1.718 363 HA ASP 50 HA ASP 50 2.848 -12.356 -3.834 364 1HB ASP 50 1HB ASP 50 3.383 -13.902 -2.085 365 2HB ASP 50 2HB ASP 50 2.874 -12.792 -0.829 366 H MET 51 H MET 51 2.456 -10.034 -1.137 367 HA MET 51 HA MET 51 -0.342 -9.864 -1.316 368 1HB MET 51 1HB MET 51 1.823 -8.009 -0.187 369 2HB MET 51 2HB MET 51 0.112 -7.689 0.016 370 1HG MET 51 1HG MET 51 -0.031 -10.111 1.001 371 2HG MET 51 2HG MET 51 1.716 -10.033 1.111 372 1HE MET 51 1HE MET 51 -0.366 -9.534 4.461 373 2HE MET 51 2HE MET 51 0.162 -10.715 3.239 374 3HE MET 51 3HE MET 51 1.355 -9.966 4.327 375 H ILE 52 H ILE 52 2.319 -7.623 -2.392 376 HA ILE 52 HA ILE 52 0.734 -5.753 -3.619 377 HB ILE 52 HB ILE 52 2.768 -5.298 -5.010 378 1HG1 ILE 52 1HG1 ILE 52 4.794 -6.689 -3.871 379 2HG1 ILE 52 2HG1 ILE 52 3.550 -7.924 -3.863 380 1HG2 ILE 52 1HG2 ILE 52 3.134 -5.582 -2.015 381 2HG2 ILE 52 2HG2 ILE 52 4.134 -4.579 -3.093 382 3HG2 ILE 52 3HG2 ILE 52 2.408 -4.202 -2.873 383 1HD1 ILE 52 1HD1 ILE 52 3.984 -6.292 -6.374 384 2HD1 ILE 52 2HD1 ILE 52 5.090 -7.632 -5.990 385 3HD1 ILE 52 3HD1 ILE 52 3.351 -7.947 -6.206 386 H ASN 53 H ASN 53 1.879 -8.938 -4.817 387 HA ASN 53 HA ASN 53 1.082 -8.554 -7.440 388 1HB ASN 53 1HB ASN 53 2.442 -10.510 -6.147 389 2HB ASN 53 2HB ASN 53 0.872 -11.289 -6.168 390 1HD2 ASN 53 1HD2 ASN 53 1.276 -12.862 -7.604 391 2HD2 ASN 53 2HD2 ASN 53 1.657 -12.621 -9.277 392 H GLU 54 H GLU 54 -0.600 -9.516 -4.438 393 HA GLU 54 HA GLU 54 -2.877 -10.559 -5.711 394 1HB GLU 54 1HB GLU 54 -2.359 -11.222 -3.438 395 2HB GLU 54 2HB GLU 54 -2.356 -9.560 -2.882 396 1HG GLU 54 1HG GLU 54 -4.484 -10.344 -2.206 397 2HG GLU 54 2HG GLU 54 -4.837 -9.471 -3.683 398 H VAL 55 H VAL 55 -2.307 -7.446 -3.905 399 HA VAL 55 HA VAL 55 -4.761 -6.316 -4.558 400 HB VAL 55 HB VAL 55 -3.792 -4.258 -3.810 401 1HG1 VAL 55 1HG1 VAL 55 -4.123 -5.299 -1.837 402 2HG1 VAL 55 2HG1 VAL 55 -3.295 -6.784 -2.366 403 3HG1 VAL 55 3HG1 VAL 55 -2.346 -5.396 -1.782 404 1HG2 VAL 55 1HG2 VAL 55 -1.748 -4.093 -4.998 405 2HG2 VAL 55 2HG2 VAL 55 -1.297 -4.182 -3.278 406 3HG2 VAL 55 3HG2 VAL 55 -1.135 -5.619 -4.316 407 H ASP 56 H ASP 56 -1.559 -6.231 -6.222 408 HA ASP 56 HA ASP 56 -2.100 -4.370 -8.099 409 1HB ASP 56 1HB ASP 56 0.086 -5.489 -7.847 410 2HB ASP 56 2HB ASP 56 -0.593 -7.011 -8.389 411 H ALA 57 H ALA 57 -3.978 -4.285 -9.358 412 HA ALA 57 HA ALA 57 -4.997 -6.826 -10.413 413 1HB ALA 57 1HB ALA 57 -6.662 -4.400 -10.664 414 2HB ALA 57 2HB ALA 57 -7.080 -6.016 -10.045 415 3HB ALA 57 3HB ALA 57 -6.270 -4.838 -8.984 416 H ASP 58 H ASP 58 -4.222 -3.391 -11.252 417 HA ASP 58 HA ASP 58 -4.866 -3.286 -13.808 418 1HB ASP 58 1HB ASP 58 -2.546 -2.030 -14.079 419 2HB ASP 58 2HB ASP 58 -3.792 -1.364 -13.043 420 H GLY 59 H GLY 59 -2.277 -5.226 -12.311 421 1HA GLY 59 1HA GLY 59 -1.418 -7.170 -13.256 422 2HA GLY 59 2HA GLY 59 -1.842 -6.602 -14.859 423 H ASP 60 H ASP 60 0.608 -6.687 -12.358 424 HA ASP 60 HA ASP 60 2.634 -6.110 -14.101 425 1HB ASP 60 1HB ASP 60 3.294 -3.849 -12.834 426 2HB ASP 60 2HB ASP 60 2.290 -3.824 -14.270 427 H GLY 61 H GLY 61 1.828 -4.913 -10.744 428 1HA GLY 61 1HA GLY 61 2.464 -6.596 -8.965 429 2HA GLY 61 2HA GLY 61 4.052 -6.557 -9.706 430 H THR 62 H THR 62 1.694 -3.857 -9.168 431 HA THR 62 HA THR 62 3.507 -2.727 -7.175 432 HB THR 62 HB THR 62 2.506 -1.143 -9.591 433 HG1 THR 62 HG1 THR 62 4.866 -1.500 -10.172 434 1HG2 THR 62 1HG2 THR 62 4.779 0.067 -8.838 435 2HG2 THR 62 2HG2 THR 62 3.241 0.464 -8.034 436 3HG2 THR 62 3HG2 THR 62 4.383 -0.664 -7.264 437 H ILE 63 H ILE 63 2.437 -0.597 -6.281 438 HA ILE 63 HA ILE 63 -0.381 -1.295 -5.853 439 HB ILE 63 HB ILE 63 1.480 0.247 -4.044 440 1HG1 ILE 63 1HG1 ILE 63 0.681 -2.675 -4.010 441 2HG1 ILE 63 2HG1 ILE 63 2.293 -2.018 -4.210 442 1HG2 ILE 63 1HG2 ILE 63 -0.659 0.943 -3.480 443 2HG2 ILE 63 2HG2 ILE 63 -1.385 -0.643 -3.836 444 3HG2 ILE 63 3HG2 ILE 63 -0.388 -0.427 -2.377 445 1HD1 ILE 63 1HD1 ILE 63 1.490 -0.810 -1.844 446 2HD1 ILE 63 2HD1 ILE 63 0.714 -2.408 -1.739 447 3HD1 ILE 63 3HD1 ILE 63 2.476 -2.288 -1.954 448 H ASP 64 H ASP 64 -1.715 0.764 -5.183 449 HA ASP 64 HA ASP 64 -0.814 3.171 -6.368 450 1HB ASP 64 1HB ASP 64 -1.710 1.632 -8.293 451 2HB ASP 64 2HB ASP 64 -3.296 1.928 -7.609 452 H PHE 65 H PHE 65 -2.857 4.804 -6.338 453 HA PHE 65 HA PHE 65 -3.817 4.908 -3.764 454 1HB PHE 65 1HB PHE 65 -3.869 6.389 -6.180 455 2HB PHE 65 2HB PHE 65 -5.566 6.062 -5.890 456 HD1 PHE 65 HD1 PHE 65 -2.982 6.616 -3.291 457 HD2 PHE 65 HD2 PHE 65 -6.326 8.223 -5.350 458 HE1 PHE 65 HE1 PHE 65 -3.070 8.522 -1.660 459 HE2 PHE 65 HE2 PHE 65 -6.415 10.129 -3.720 460 HZ PHE 65 HZ PHE 65 -4.786 10.256 -1.894 461 HA PRO 66 HA PRO 66 -7.826 2.988 -5.403 462 1HB PRO 66 1HB PRO 66 -7.899 1.881 -7.900 463 2HB PRO 66 2HB PRO 66 -8.434 3.514 -7.560 464 1HG PRO 66 1HG PRO 66 -5.948 2.616 -8.883 465 2HG PRO 66 2HG PRO 66 -6.696 4.201 -8.912 466 1HD PRO 66 1HD PRO 66 -4.402 3.413 -7.381 467 2HD PRO 66 2HD PRO 66 -5.219 4.962 -7.322 468 H GLU 67 H GLU 67 -4.870 1.449 -6.368 469 HA GLU 67 HA GLU 67 -5.884 -1.148 -6.036 470 1HB GLU 67 1HB GLU 67 -3.125 0.067 -6.280 471 2HB GLU 67 2HB GLU 67 -3.284 -1.622 -5.840 472 1HG GLU 67 1HG GLU 67 -4.598 -2.077 -7.881 473 2HG GLU 67 2HG GLU 67 -4.600 -0.376 -8.299 474 H PHE 68 H PHE 68 -3.584 0.826 -4.013 475 HA PHE 68 HA PHE 68 -3.463 -0.910 -1.886 476 1HB PHE 68 1HB PHE 68 -2.365 1.479 -2.596 477 2HB PHE 68 2HB PHE 68 -3.595 2.109 -1.519 478 HD1 PHE 68 HD1 PHE 68 -2.236 2.940 0.216 479 HD2 PHE 68 HD2 PHE 68 -1.754 -1.075 -1.072 480 HE1 PHE 68 HE1 PHE 68 -0.745 2.487 2.184 481 HE2 PHE 68 HE2 PHE 68 -0.263 -1.527 0.896 482 HZ PHE 68 HZ PHE 68 0.224 0.259 2.500 483 H LEU 69 H LEU 69 -5.956 1.503 -2.754 484 HA LEU 69 HA LEU 69 -7.241 1.866 -0.399 485 1HB LEU 69 1HB LEU 69 -7.701 2.460 -3.014 486 2HB LEU 69 2HB LEU 69 -9.000 1.326 -2.701 487 HG LEU 69 HG LEU 69 -8.488 3.715 -0.922 488 1HD1 LEU 69 1HD1 LEU 69 -9.324 5.129 -2.411 489 2HD1 LEU 69 2HD1 LEU 69 -9.273 3.830 -3.626 490 3HD1 LEU 69 3HD1 LEU 69 -10.748 4.092 -2.665 491 1HD2 LEU 69 1HD2 LEU 69 -11.143 3.228 -0.798 492 2HD2 LEU 69 2HD2 LEU 69 -10.533 1.581 -1.090 493 3HD2 LEU 69 3HD2 LEU 69 -9.945 2.514 0.308 494 H THR 70 H THR 70 -7.667 -0.919 -2.682 495 HA THR 70 HA THR 70 -9.517 -2.245 -0.994 496 HB THR 70 HB THR 70 -7.772 -3.061 -3.369 497 HG1 THR 70 HG1 THR 70 -10.086 -3.015 -4.215 498 1HG2 THR 70 1HG2 THR 70 -8.989 -5.117 -3.517 499 2HG2 THR 70 2HG2 THR 70 -8.535 -5.022 -1.798 500 3HG2 THR 70 3HG2 THR 70 -10.185 -4.590 -2.308 501 H MET 71 H MET 71 -5.949 -2.444 -1.423 502 HA MET 71 HA MET 71 -5.490 -4.670 0.049 503 1HB MET 71 1HB MET 71 -3.718 -3.459 -1.159 504 2HB MET 71 2HB MET 71 -3.936 -2.036 -0.160 505 1HG MET 71 1HG MET 71 -1.928 -3.449 0.482 506 2HG MET 71 2HG MET 71 -3.044 -3.160 1.801 507 1HE MET 71 1HE MET 71 -0.849 -6.043 0.937 508 2HE MET 71 2HE MET 71 -1.194 -5.019 2.351 509 3HE MET 71 3HE MET 71 -1.657 -6.737 2.363 510 H MET 72 H MET 72 -5.413 -1.252 1.314 511 HA MET 72 HA MET 72 -5.081 -1.945 3.942 512 1HB MET 72 1HB MET 72 -6.293 0.423 2.468 513 2HB MET 72 2HB MET 72 -6.387 0.389 4.218 514 1HG MET 72 1HG MET 72 -3.689 -0.276 3.158 515 2HG MET 72 2HG MET 72 -4.224 1.343 2.753 516 1HE MET 72 1HE MET 72 -3.441 -0.372 6.934 517 2HE MET 72 2HE MET 72 -4.607 -1.139 5.829 518 3HE MET 72 3HE MET 72 -2.890 -1.030 5.375 519 H ALA 73 H ALA 73 -8.190 -0.990 2.297 520 HA ALA 73 HA ALA 73 -9.909 -1.375 4.348 521 1HB ALA 73 1HB ALA 73 -11.031 -2.484 1.919 522 2HB ALA 73 2HB ALA 73 -11.354 -0.913 2.691 523 3HB ALA 73 3HB ALA 73 -10.015 -1.075 1.530 524 H ARG 74 H ARG 74 -8.874 -3.917 1.960 525 HA ARG 74 HA ARG 74 -10.239 -5.952 3.204 526 1HB ARG 74 1HB ARG 74 -7.778 -5.883 1.412 527 2HB ARG 74 2HB ARG 74 -8.398 -7.409 2.011 528 1HG ARG 74 1HG ARG 74 -10.504 -5.648 0.885 529 2HG ARG 74 2HG ARG 74 -9.279 -6.098 -0.284 530 1HD ARG 74 1HD ARG 74 -10.394 -8.273 1.489 531 2HD ARG 74 2HD ARG 74 -11.414 -7.669 0.199 532 HE ARG 74 HE ARG 74 -8.951 -8.117 -1.034 533 1HH1 ARG 74 2HH2 ARG 74 -11.209 -10.081 0.817 534 2HH1 ARG 74 1HH2 ARG 74 -10.781 -11.556 0.016 535 1HH2 ARG 74 2HH1 ARG 74 -8.386 -10.063 -2.091 536 2HH2 ARG 74 1HH1 ARG 74 -9.164 -11.546 -1.649 537 H LYS 75 H LYS 75 -7.076 -4.450 3.855 538 HA LYS 75 HA LYS 75 -5.955 -6.487 5.393 539 1HB LYS 75 1HB LYS 75 -4.865 -4.394 4.404 540 2HB LYS 75 2HB LYS 75 -5.497 -3.525 5.788 541 1HG LYS 75 1HG LYS 75 -3.229 -4.240 6.316 542 2HG LYS 75 2HG LYS 75 -4.335 -5.162 7.314 543 1HD LYS 75 1HD LYS 75 -3.761 -6.433 4.691 544 2HD LYS 75 2HD LYS 75 -2.345 -6.249 5.706 545 1HE LYS 75 1HE LYS 75 -4.861 -7.318 6.985 546 2HE LYS 75 2HE LYS 75 -3.969 -8.386 5.920 547 1HZ LYS 75 1HZ LYS 75 -3.393 -7.988 8.485 548 2HZ LYS 75 2HZ LYS 75 -2.323 -8.547 7.385 549 3HZ LYS 75 3HZ LYS 75 -2.332 -6.963 7.782 550 H MET 76 H MET 76 -7.723 -3.494 6.464 551 HA MET 76 HA MET 76 -7.795 -4.241 9.120 552 1HB MET 76 1HB MET 76 -9.593 -2.492 9.269 553 2HB MET 76 2HB MET 76 -8.254 -1.939 8.283 554 1HG MET 76 1HG MET 76 -9.461 -2.221 6.250 555 2HG MET 76 2HG MET 76 -10.604 -3.339 6.968 556 1HE MET 76 1HE MET 76 -13.448 -1.275 8.010 557 2HE MET 76 2HE MET 76 -12.949 -2.365 6.694 558 3HE MET 76 3HE MET 76 -12.559 -2.772 8.382 559 H LYS 77 H LYS 77 -9.701 -5.300 6.357 560 HA LYS 77 HA LYS 77 -12.017 -6.095 7.701 561 1HB LYS 77 1HB LYS 77 -11.438 -5.874 5.153 562 2HB LYS 77 2HB LYS 77 -10.942 -7.548 5.297 563 1HG LYS 77 1HG LYS 77 -13.136 -8.070 4.980 564 2HG LYS 77 2HG LYS 77 -13.378 -7.562 6.639 565 1HD LYS 77 1HD LYS 77 -14.490 -5.664 6.022 566 2HD LYS 77 2HD LYS 77 -13.318 -5.272 4.779 567 1HE LYS 77 1HE LYS 77 -15.105 -5.754 3.392 568 2HE LYS 77 2HE LYS 77 -14.472 -7.381 3.545 569 1HZ LYS 77 1HZ LYS 77 -16.835 -7.247 4.002 570 2HZ LYS 77 2HZ LYS 77 -16.018 -7.784 5.311 571 3HZ LYS 77 3HZ LYS 77 -16.568 -6.246 5.265 572 H ASP 78 H ASP 78 -9.134 -8.066 6.681 573 HA ASP 78 HA ASP 78 -9.815 -10.407 7.735 574 1HB ASP 78 1HB ASP 78 -7.615 -9.636 6.579 575 2HB ASP 78 2HB ASP 78 -7.044 -9.224 8.184 576 H THR 79 H THR 79 -7.835 -7.881 9.484 577 HA THR 79 HA THR 79 -7.983 -9.133 11.988 578 HB THR 79 HB THR 79 -6.376 -7.297 11.053 579 HG1 THR 79 HG1 THR 79 -5.988 -6.944 13.252 580 1HG2 THR 79 1HG2 THR 79 -8.177 -5.612 10.497 581 2HG2 THR 79 2HG2 THR 79 -8.612 -5.557 12.222 582 3HG2 THR 79 3HG2 THR 79 -7.011 -4.990 11.689 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -19.372 4.714 0.871 2 HA ALA 1 HA ALA 1 -21.698 6.259 1.225 3 1HB ALA 1 1HB ALA 1 -20.681 4.819 3.586 4 2HB ALA 1 2HB ALA 1 -22.200 4.604 2.683 5 3HB ALA 1 3HB ALA 1 -20.705 3.827 2.108 6 H ASP 2 H ASP 2 -18.574 7.255 1.490 7 HA ASP 2 HA ASP 2 -17.537 8.855 2.521 8 1HB ASP 2 1HB ASP 2 -20.351 9.787 3.262 9 2HB ASP 2 2HB ASP 2 -18.911 10.769 3.441 10 H GLN 3 H GLN 3 -18.596 6.353 4.041 11 HA GLN 3 HA GLN 3 -18.622 7.458 6.728 12 1HB GLN 3 1HB GLN 3 -19.988 5.261 5.435 13 2HB GLN 3 2HB GLN 3 -19.024 4.617 6.749 14 1HG GLN 3 1HG GLN 3 -20.659 7.106 7.260 15 2HG GLN 3 2HG GLN 3 -21.494 5.568 7.173 16 1HE2 GLN 3 1HE2 GLN 3 -21.319 4.101 8.773 17 2HE2 GLN 3 2HE2 GLN 3 -20.453 4.341 10.254 18 H LEU 4 H LEU 4 -16.881 5.246 4.510 19 HA LEU 4 HA LEU 4 -14.712 5.179 6.486 20 1HB LEU 4 1HB LEU 4 -15.401 3.025 6.683 21 2HB LEU 4 2HB LEU 4 -16.063 2.954 5.062 22 HG LEU 4 HG LEU 4 -14.133 1.462 5.366 23 1HD1 LEU 4 1HD1 LEU 4 -12.994 3.426 3.479 24 2HD1 LEU 4 2HD1 LEU 4 -13.462 1.726 3.237 25 3HD1 LEU 4 3HD1 LEU 4 -14.701 3.004 3.205 26 1HD2 LEU 4 1HD2 LEU 4 -12.670 4.027 6.002 27 2HD2 LEU 4 2HD2 LEU 4 -12.796 2.545 6.980 28 3HD2 LEU 4 3HD2 LEU 4 -11.838 2.542 5.480 29 H THR 5 H THR 5 -15.747 5.010 3.037 30 HA THR 5 HA THR 5 -13.239 5.081 1.871 31 HB THR 5 HB THR 5 -14.655 6.265 -0.003 32 HG1 THR 5 HG1 THR 5 -16.952 6.186 0.608 33 1HG2 THR 5 1HG2 THR 5 -15.583 4.215 -0.657 34 2HG2 THR 5 2HG2 THR 5 -14.408 3.630 0.545 35 3HG2 THR 5 3HG2 THR 5 -16.120 3.821 0.994 36 H GLU 6 H GLU 6 -15.285 7.805 3.056 37 HA GLU 6 HA GLU 6 -13.633 9.798 2.107 38 1HB GLU 6 1HB GLU 6 -15.995 10.009 3.053 39 2HB GLU 6 2HB GLU 6 -15.298 9.908 4.658 40 1HG GLU 6 1HG GLU 6 -15.342 12.224 4.362 41 2HG GLU 6 2HG GLU 6 -13.720 11.865 3.805 42 H GLU 7 H GLU 7 -13.612 7.958 5.211 43 HA GLU 7 HA GLU 7 -11.532 9.501 6.308 44 1HB GLU 7 1HB GLU 7 -11.996 6.679 7.226 45 2HB GLU 7 2HB GLU 7 -11.749 8.131 8.176 46 1HG GLU 7 1HG GLU 7 -14.105 8.811 7.008 47 2HG GLU 7 2HG GLU 7 -14.279 7.068 6.948 48 H GLN 8 H GLN 8 -11.635 6.087 5.039 49 HA GLN 8 HA GLN 8 -8.991 5.560 5.225 50 1HB GLN 8 1HB GLN 8 -9.512 3.659 4.062 51 2HB GLN 8 2HB GLN 8 -11.158 4.222 4.274 52 1HG GLN 8 1HG GLN 8 -11.018 5.406 2.057 53 2HG GLN 8 2HG GLN 8 -9.393 4.786 1.844 54 1HE2 GLN 8 1HE2 GLN 8 -12.077 4.392 0.481 55 2HE2 GLN 8 2HE2 GLN 8 -12.261 2.677 0.319 56 H ILE 9 H ILE 9 -10.740 7.384 2.669 57 HA ILE 9 HA ILE 9 -8.488 7.582 0.960 58 HB ILE 9 HB ILE 9 -11.132 9.014 1.128 59 1HG1 ILE 9 1HG1 ILE 9 -10.980 6.567 0.443 60 2HG1 ILE 9 2HG1 ILE 9 -11.809 7.651 -0.657 61 1HG2 ILE 9 1HG2 ILE 9 -8.768 9.559 -0.632 62 2HG2 ILE 9 2HG2 ILE 9 -10.413 9.731 -1.288 63 3HG2 ILE 9 3HG2 ILE 9 -9.915 10.689 0.127 64 1HD1 ILE 9 1HD1 ILE 9 -10.392 7.038 -2.308 65 2HD1 ILE 9 2HD1 ILE 9 -9.032 7.709 -1.375 66 3HD1 ILE 9 3HD1 ILE 9 -9.498 6.003 -1.169 67 H ALA 10 H ALA 10 -9.673 9.327 3.801 68 HA ALA 10 HA ALA 10 -8.196 11.693 3.350 69 1HB ALA 10 1HB ALA 10 -9.216 10.468 5.944 70 2HB ALA 10 2HB ALA 10 -8.763 12.169 5.682 71 3HB ALA 10 3HB ALA 10 -10.178 11.486 4.846 72 H GLU 11 H GLU 11 -7.570 8.602 5.105 73 HA GLU 11 HA GLU 11 -5.098 9.488 6.104 74 1HB GLU 11 1HB GLU 11 -6.769 7.404 6.679 75 2HB GLU 11 2HB GLU 11 -5.558 6.557 5.738 76 1HG GLU 11 1HG GLU 11 -3.788 7.713 7.231 77 2HG GLU 11 2HG GLU 11 -5.116 8.206 8.263 78 H PHE 12 H PHE 12 -6.105 7.423 3.306 79 HA PHE 12 HA PHE 12 -3.571 6.738 2.442 80 1HB PHE 12 1HB PHE 12 -6.274 7.279 1.098 81 2HB PHE 12 2HB PHE 12 -4.916 6.692 0.159 82 HD1 PHE 12 HD1 PHE 12 -3.729 4.799 2.173 83 HD2 PHE 12 HD2 PHE 12 -7.749 5.461 0.987 84 HE1 PHE 12 HE1 PHE 12 -4.306 2.441 2.812 85 HE2 PHE 12 HE2 PHE 12 -8.326 3.103 1.626 86 HZ PHE 12 HZ PHE 12 -6.598 1.622 2.531 87 H LYS 13 H LYS 13 -5.373 9.780 2.166 88 HA LYS 13 HA LYS 13 -3.995 10.848 -0.020 89 1HB LYS 13 1HB LYS 13 -6.158 11.592 1.352 90 2HB LYS 13 2HB LYS 13 -4.996 12.615 2.174 91 1HG LYS 13 1HG LYS 13 -5.298 14.066 0.442 92 2HG LYS 13 2HG LYS 13 -4.268 12.986 -0.476 93 1HD LYS 13 1HD LYS 13 -6.036 12.802 -1.906 94 2HD LYS 13 2HD LYS 13 -6.713 11.712 -0.713 95 1HE LYS 13 1HE LYS 13 -8.449 13.293 -1.072 96 2HE LYS 13 2HE LYS 13 -7.710 13.828 0.424 97 1HZ LYS 13 1HZ LYS 13 -7.954 15.673 -1.006 98 2HZ LYS 13 2HZ LYS 13 -6.355 15.348 -0.934 99 3HZ LYS 13 3HZ LYS 13 -7.217 14.923 -2.255 100 H GLU 14 H GLU 14 -3.510 11.434 3.538 101 HA GLU 14 HA GLU 14 -1.077 12.755 3.055 102 1HB GLU 14 1HB GLU 14 -0.840 12.658 5.550 103 2HB GLU 14 2HB GLU 14 -2.390 13.290 5.031 104 1HG GLU 14 1HG GLU 14 -3.540 11.264 5.573 105 2HG GLU 14 2HG GLU 14 -2.059 10.327 5.614 106 H ALA 15 H ALA 15 -2.046 9.394 3.714 107 HA ALA 15 HA ALA 15 0.507 8.457 4.456 108 1HB ALA 15 1HB ALA 15 -1.692 6.854 3.114 109 2HB ALA 15 2HB ALA 15 -0.491 6.304 4.308 110 3HB ALA 15 3HB ALA 15 -1.808 7.393 4.806 111 H PHE 16 H PHE 16 -1.342 8.279 1.328 112 HA PHE 16 HA PHE 16 0.348 7.020 -0.265 113 1HB PHE 16 1HB PHE 16 -1.732 8.074 -1.048 114 2HB PHE 16 2HB PHE 16 -1.154 9.672 -0.617 115 HD1 PHE 16 HD1 PHE 16 -0.133 6.825 -2.816 116 HD2 PHE 16 HD2 PHE 16 -0.450 11.029 -2.336 117 HE1 PHE 16 HE1 PHE 16 0.701 7.156 -5.160 118 HE2 PHE 16 HE2 PHE 16 0.385 11.360 -4.680 119 HZ PHE 16 HZ PHE 16 0.950 9.419 -6.064 120 H SER 17 H SER 17 0.903 10.245 1.153 121 HA SER 17 HA SER 17 2.939 11.036 -0.535 122 1HB SER 17 1HB SER 17 1.668 11.995 1.812 123 2HB SER 17 2HB SER 17 3.370 11.912 2.221 124 HG SER 17 HG SER 17 3.645 13.695 1.085 125 H LEU 18 H LEU 18 3.058 9.369 2.697 126 HA LEU 18 HA LEU 18 5.871 9.041 2.597 127 1HB LEU 18 1HB LEU 18 3.698 7.836 4.308 128 2HB LEU 18 2HB LEU 18 5.398 7.466 4.517 129 HG LEU 18 HG LEU 18 4.740 10.353 4.484 130 1HD1 LEU 18 1HD1 LEU 18 3.621 8.483 6.563 131 2HD1 LEU 18 2HD1 LEU 18 4.051 10.164 6.959 132 3HD1 LEU 18 3HD1 LEU 18 2.828 9.828 5.710 133 1HD2 LEU 18 1HD2 LEU 18 6.706 10.480 5.510 134 2HD2 LEU 18 2HD2 LEU 18 6.186 9.351 6.784 135 3HD2 LEU 18 3HD2 LEU 18 6.877 8.725 5.268 136 H PHE 19 H PHE 19 3.050 6.828 2.044 137 HA PHE 19 HA PHE 19 4.508 4.566 1.470 138 1HB PHE 19 1HB PHE 19 1.831 5.781 0.665 139 2HB PHE 19 2HB PHE 19 2.318 4.287 -0.111 140 HD1 PHE 19 HD1 PHE 19 2.713 2.249 1.297 141 HD2 PHE 19 HD2 PHE 19 1.001 5.791 2.887 142 HE1 PHE 19 HE1 PHE 19 1.836 0.946 3.255 143 HE2 PHE 19 HE2 PHE 19 0.124 4.489 4.845 144 HZ PHE 19 HZ PHE 19 0.552 2.082 5.006 145 H ASP 20 H ASP 20 3.702 7.391 -0.584 146 HA ASP 20 HA ASP 20 4.881 6.041 -2.848 147 1HB ASP 20 1HB ASP 20 2.724 7.481 -2.919 148 2HB ASP 20 2HB ASP 20 3.768 8.876 -2.729 149 H LYS 21 H LYS 21 6.657 6.612 -0.658 150 HA LYS 21 HA LYS 21 7.914 8.953 -0.452 151 1HB LYS 21 1HB LYS 21 10.050 7.562 -0.190 152 2HB LYS 21 2HB LYS 21 8.703 7.197 0.869 153 1HG LYS 21 1HG LYS 21 8.082 5.508 -1.164 154 2HG LYS 21 2HG LYS 21 9.814 5.592 -1.417 155 1HD LYS 21 1HD LYS 21 9.663 3.810 0.099 156 2HD LYS 21 2HD LYS 21 9.974 5.152 1.182 157 1HE LYS 21 1HE LYS 21 7.090 4.745 0.584 158 2HE LYS 21 2HE LYS 21 7.838 3.387 1.400 159 1HZ LYS 21 1HZ LYS 21 7.043 4.954 2.984 160 2HZ LYS 21 2HZ LYS 21 8.674 4.955 3.050 161 3HZ LYS 21 3HZ LYS 21 7.887 6.180 2.311 162 H ASP 22 H ASP 22 8.323 6.605 -3.168 163 HA ASP 22 HA ASP 22 10.343 7.783 -4.483 164 1HB ASP 22 1HB ASP 22 7.831 6.369 -5.401 165 2HB ASP 22 2HB ASP 22 8.894 7.056 -6.613 166 H GLY 23 H GLY 23 6.779 8.473 -4.828 167 1HA GLY 23 1HA GLY 23 5.792 10.530 -5.111 168 2HA GLY 23 2HA GLY 23 7.354 11.263 -5.416 169 H ASP 24 H ASP 24 5.966 8.324 -6.993 170 HA ASP 24 HA ASP 24 6.149 9.804 -9.495 171 1HB ASP 24 1HB ASP 24 6.726 7.796 -10.584 172 2HB ASP 24 2HB ASP 24 7.549 7.645 -9.045 173 H GLY 25 H GLY 25 4.216 7.640 -7.383 174 1HA GLY 25 1HA GLY 25 1.781 8.286 -7.521 175 2HA GLY 25 2HA GLY 25 1.918 7.894 -9.223 176 H THR 26 H THR 26 4.092 5.816 -7.841 177 HA THR 26 HA THR 26 2.032 3.780 -7.297 178 HB THR 26 HB THR 26 3.686 2.195 -8.433 179 HG1 THR 26 HG1 THR 26 5.452 3.856 -8.105 180 1HG2 THR 26 1HG2 THR 26 2.174 2.641 -10.124 181 2HG2 THR 26 2HG2 THR 26 2.184 4.390 -9.794 182 3HG2 THR 26 3HG2 THR 26 3.484 3.660 -10.767 183 H ILE 27 H ILE 27 2.535 2.172 -5.739 184 HA ILE 27 HA ILE 27 4.605 3.103 -3.886 185 HB ILE 27 HB ILE 27 1.973 1.721 -3.551 186 1HG1 ILE 27 1HG1 ILE 27 1.726 3.438 -1.769 187 2HG1 ILE 27 2HG1 ILE 27 3.304 4.077 -2.183 188 1HG2 ILE 27 1HG2 ILE 27 2.808 1.521 -1.058 189 2HG2 ILE 27 2HG2 ILE 27 3.107 0.225 -2.240 190 3HG2 ILE 27 3HG2 ILE 27 4.401 1.379 -1.839 191 1HD1 ILE 27 1HD1 ILE 27 1.381 3.734 -4.457 192 2HD1 ILE 27 2HD1 ILE 27 1.017 5.021 -3.282 193 3HD1 ILE 27 3HD1 ILE 27 2.567 5.027 -4.156 194 H THR 28 H THR 28 6.282 2.102 -5.253 195 HA THR 28 HA THR 28 6.381 -0.498 -6.058 196 HB THR 28 HB THR 28 8.550 1.338 -4.918 197 HG1 THR 28 HG1 THR 28 7.466 0.571 -7.536 198 1HG2 THR 28 1HG2 THR 28 8.902 -1.370 -5.415 199 2HG2 THR 28 2HG2 THR 28 9.206 -0.668 -7.022 200 3HG2 THR 28 3HG2 THR 28 10.173 -0.142 -5.624 201 H THR 29 H THR 29 6.911 -2.504 -5.227 202 HA THR 29 HA THR 29 6.004 -3.202 -2.779 203 HB THR 29 HB THR 29 7.291 -5.271 -3.142 204 HG1 THR 29 HG1 THR 29 8.956 -5.005 -4.963 205 1HG2 THR 29 1HG2 THR 29 6.500 -5.853 -5.266 206 2HG2 THR 29 2HG2 THR 29 5.544 -4.374 -5.008 207 3HG2 THR 29 3HG2 THR 29 7.027 -4.315 -5.991 208 H LYS 30 H LYS 30 9.218 -1.835 -3.546 209 HA LYS 30 HA LYS 30 10.363 -2.378 -1.049 210 1HB LYS 30 1HB LYS 30 12.095 -0.887 -1.724 211 2HB LYS 30 2HB LYS 30 11.576 -1.765 -3.149 212 1HG LYS 30 1HG LYS 30 10.020 0.219 -3.667 213 2HG LYS 30 2HG LYS 30 10.827 1.090 -2.379 214 1HD LYS 30 1HD LYS 30 13.048 0.574 -3.583 215 2HD LYS 30 2HD LYS 30 12.089 -0.001 -4.932 216 1HE LYS 30 1HE LYS 30 12.471 2.255 -5.509 217 2HE LYS 30 2HE LYS 30 10.872 2.318 -4.796 218 1HZ LYS 30 1HZ LYS 30 13.028 2.607 -2.930 219 2HZ LYS 30 2HZ LYS 30 12.904 3.821 -4.015 220 3HZ LYS 30 3HZ LYS 30 11.636 3.452 -3.054 221 H GLU 31 H GLU 31 8.529 0.463 -2.331 222 HA GLU 31 HA GLU 31 8.811 1.980 -0.028 223 1HB GLU 31 1HB GLU 31 6.540 2.027 -2.065 224 2HB GLU 31 2HB GLU 31 6.931 3.316 -0.944 225 1HG GLU 31 1HG GLU 31 9.138 3.631 -1.994 226 2HG GLU 31 2HG GLU 31 8.885 2.241 -3.031 227 H LEU 32 H LEU 32 6.624 -0.675 -0.911 228 HA LEU 32 HA LEU 32 4.651 -0.184 1.020 229 1HB LEU 32 1HB LEU 32 4.178 -1.588 -0.824 230 2HB LEU 32 2HB LEU 32 5.540 -2.637 -0.483 231 HG LEU 32 HG LEU 32 3.309 -3.606 0.075 232 1HD1 LEU 32 1HD1 LEU 32 5.710 -3.818 1.432 233 2HD1 LEU 32 2HD1 LEU 32 4.519 -3.573 2.732 234 3HD1 LEU 32 3HD1 LEU 32 4.313 -4.911 1.576 235 1HD2 LEU 32 1HD2 LEU 32 1.794 -2.513 1.269 236 2HD2 LEU 32 2HD2 LEU 32 2.935 -2.318 2.622 237 3HD2 LEU 32 3HD2 LEU 32 2.889 -1.110 1.315 238 H GLY 33 H GLY 33 7.566 -2.348 1.041 239 1HA GLY 33 1HA GLY 33 7.202 -3.128 3.752 240 2HA GLY 33 2HA GLY 33 8.623 -3.366 2.754 241 H THR 34 H THR 34 8.787 -0.399 2.093 242 HA THR 34 HA THR 34 10.539 0.324 4.169 243 HB THR 34 HB THR 34 9.195 1.908 1.917 244 HG1 THR 34 HG1 THR 34 11.165 1.261 0.877 245 1HG2 THR 34 1HG2 THR 34 11.902 2.618 2.999 246 2HG2 THR 34 2HG2 THR 34 10.636 3.681 2.338 247 3HG2 THR 34 3HG2 THR 34 10.515 3.086 4.012 248 H VAL 35 H VAL 35 7.169 1.392 3.399 249 HA VAL 35 HA VAL 35 6.980 3.238 5.459 250 HB VAL 35 HB VAL 35 4.823 1.499 4.244 251 1HG1 VAL 35 1HG1 VAL 35 3.749 2.508 6.023 252 2HG1 VAL 35 2HG1 VAL 35 4.781 3.958 5.968 253 3HG1 VAL 35 3HG1 VAL 35 3.508 3.724 4.745 254 1HG2 VAL 35 1HG2 VAL 35 5.233 4.278 3.290 255 2HG2 VAL 35 2HG2 VAL 35 6.489 3.104 2.830 256 3HG2 VAL 35 3HG2 VAL 35 4.790 2.806 2.392 257 H MET 36 H MET 36 6.126 -0.286 5.371 258 HA MET 36 HA MET 36 5.011 -0.668 7.717 259 1HB MET 36 1HB MET 36 7.332 -2.248 6.483 260 2HB MET 36 2HB MET 36 6.354 -2.872 7.796 261 1HG MET 36 1HG MET 36 5.079 -1.891 5.210 262 2HG MET 36 2HG MET 36 5.683 -3.529 5.360 263 1HE MET 36 1HE MET 36 3.028 -2.315 4.688 264 2HE MET 36 2HE MET 36 1.741 -3.162 5.579 265 3HE MET 36 3HE MET 36 2.225 -1.519 6.062 266 H ARG 37 H ARG 37 8.617 -0.462 7.281 267 HA ARG 37 HA ARG 37 9.343 -0.835 9.841 268 1HB ARG 37 1HB ARG 37 10.497 1.006 7.700 269 2HB ARG 37 2HB ARG 37 11.300 0.786 9.242 270 1HG ARG 37 1HG ARG 37 12.235 -1.128 8.474 271 2HG ARG 37 2HG ARG 37 10.640 -1.837 8.311 272 1HD ARG 37 1HD ARG 37 10.882 -1.816 6.054 273 2HD ARG 37 2HD ARG 37 10.932 -0.064 6.088 274 HE ARG 37 HE ARG 37 13.272 -0.132 5.871 275 1HH1 ARG 37 2HH2 ARG 37 12.064 -3.338 6.675 276 2HH1 ARG 37 1HH2 ARG 37 13.582 -4.121 6.392 277 1HH2 ARG 37 2HH1 ARG 37 15.276 -1.165 5.497 278 2HH2 ARG 37 1HH1 ARG 37 15.422 -2.877 5.717 279 H SER 38 H SER 38 8.379 2.275 8.240 280 HA SER 38 HA SER 38 8.893 4.023 10.200 281 1HB SER 38 1HB SER 38 7.635 4.192 7.832 282 2HB SER 38 2HB SER 38 6.208 4.228 8.848 283 HG SER 38 HG SER 38 7.963 6.241 8.320 284 H LEU 39 H LEU 39 6.399 1.501 10.130 285 HA LEU 39 HA LEU 39 5.072 2.612 12.458 286 1HB LEU 39 1HB LEU 39 4.530 0.176 10.757 287 2HB LEU 39 2HB LEU 39 3.580 0.634 12.157 288 HG LEU 39 HG LEU 39 3.905 2.241 9.608 289 1HD1 LEU 39 1HD1 LEU 39 2.494 0.363 9.201 290 2HD1 LEU 39 2HD1 LEU 39 1.602 0.622 10.719 291 3HD1 LEU 39 3HD1 LEU 39 1.446 1.790 9.385 292 1HD2 LEU 39 1HD2 LEU 39 3.724 3.767 11.467 293 2HD2 LEU 39 2HD2 LEU 39 2.184 3.742 10.575 294 3HD2 LEU 39 3HD2 LEU 39 2.332 2.870 12.120 295 H GLY 40 H GLY 40 7.363 0.055 11.505 296 1HA GLY 40 1HA GLY 40 8.834 -0.298 13.607 297 2HA GLY 40 2HA GLY 40 7.360 -0.994 14.251 298 H GLN 41 H GLN 41 6.246 -2.344 12.078 299 HA GLN 41 HA GLN 41 7.561 -4.706 12.117 300 1HB GLN 41 1HB GLN 41 6.237 -5.065 9.845 301 2HB GLN 41 2HB GLN 41 5.374 -4.885 11.360 302 1HG GLN 41 1HG GLN 41 6.007 -2.311 10.000 303 2HG GLN 41 2HG GLN 41 4.924 -3.354 9.099 304 1HE2 GLN 41 1HE2 GLN 41 3.550 -1.418 9.578 305 2HE2 GLN 41 2HE2 GLN 41 2.572 -1.447 11.007 306 H ASN 42 H ASN 42 9.103 -5.783 10.826 307 HA ASN 42 HA ASN 42 10.267 -4.147 8.718 308 1HB ASN 42 1HB ASN 42 11.971 -5.961 10.469 309 2HB ASN 42 2HB ASN 42 12.495 -4.624 9.463 310 1HD2 ASN 42 1HD2 ASN 42 11.383 -2.473 10.040 311 2HD2 ASN 42 2HD2 ASN 42 11.358 -2.046 11.718 312 HA PRO 43 HA PRO 43 9.320 -8.496 7.510 313 1HB PRO 43 1HB PRO 43 7.504 -8.000 5.528 314 2HB PRO 43 2HB PRO 43 7.045 -8.376 7.177 315 1HG PRO 43 1HG PRO 43 7.005 -5.765 5.791 316 2HG PRO 43 2HG PRO 43 6.172 -6.242 7.257 317 1HD PRO 43 1HD PRO 43 8.532 -4.623 7.074 318 2HD PRO 43 2HD PRO 43 7.766 -5.197 8.542 319 H THR 44 H THR 44 9.166 -9.395 5.026 320 HA THR 44 HA THR 44 11.499 -8.080 3.802 321 HB THR 44 HB THR 44 11.580 -10.519 2.721 322 HG1 THR 44 HG1 THR 44 10.052 -11.794 3.688 323 1HG2 THR 44 1HG2 THR 44 13.380 -10.569 4.136 324 2HG2 THR 44 2HG2 THR 44 12.588 -9.443 5.264 325 3HG2 THR 44 3HG2 THR 44 12.275 -11.191 5.385 326 H GLU 45 H GLU 45 11.503 -7.523 1.641 327 HA GLU 45 HA GLU 45 9.069 -6.801 0.588 328 1HB GLU 45 1HB GLU 45 10.338 -6.286 -1.473 329 2HB GLU 45 2HB GLU 45 11.201 -5.742 -0.048 330 1HG GLU 45 1HG GLU 45 11.914 -8.511 -0.696 331 2HG GLU 45 2HG GLU 45 12.175 -7.466 -2.078 332 H ALA 46 H ALA 46 10.665 -9.888 0.650 333 HA ALA 46 HA ALA 46 9.574 -10.938 -1.746 334 1HB ALA 46 1HB ALA 46 10.094 -13.121 -0.228 335 2HB ALA 46 2HB ALA 46 11.360 -12.204 -1.078 336 3HB ALA 46 3HB ALA 46 11.058 -11.912 0.651 337 H GLU 47 H GLU 47 8.725 -11.397 1.763 338 HA GLU 47 HA GLU 47 6.489 -12.895 1.321 339 1HB GLU 47 1HB GLU 47 7.457 -11.115 3.537 340 2HB GLU 47 2HB GLU 47 5.781 -11.624 3.601 341 1HG GLU 47 1HG GLU 47 7.255 -13.961 2.910 342 2HG GLU 47 2HG GLU 47 8.194 -13.171 4.162 343 H LEU 48 H LEU 48 6.875 -9.309 1.430 344 HA LEU 48 HA LEU 48 4.097 -8.807 1.158 345 1HB LEU 48 1HB LEU 48 6.597 -7.155 0.931 346 2HB LEU 48 2HB LEU 48 5.031 -6.488 0.513 347 HG LEU 48 HG LEU 48 5.698 -5.901 2.792 348 1HD1 LEU 48 1HD1 LEU 48 3.534 -5.822 3.260 349 2HD1 LEU 48 2HD1 LEU 48 3.220 -7.038 1.999 350 3HD1 LEU 48 3HD1 LEU 48 3.537 -7.553 3.673 351 1HD2 LEU 48 1HD2 LEU 48 7.087 -7.771 3.383 352 2HD2 LEU 48 2HD2 LEU 48 5.757 -7.652 4.559 353 3HD2 LEU 48 3HD2 LEU 48 5.707 -8.890 3.282 354 H GLN 49 H GLN 49 6.709 -9.668 -1.023 355 HA GLN 49 HA GLN 49 5.895 -8.510 -3.336 356 1HB GLN 49 1HB GLN 49 7.949 -9.998 -2.850 357 2HB GLN 49 2HB GLN 49 6.911 -11.374 -3.167 358 1HG GLN 49 1HG GLN 49 6.454 -10.593 -5.444 359 2HG GLN 49 2HG GLN 49 7.274 -9.074 -5.142 360 1HE2 GLN 49 1HE2 GLN 49 9.408 -8.906 -5.392 361 2HE2 GLN 49 2HE2 GLN 49 10.483 -10.193 -5.824 362 H ASP 50 H ASP 50 4.573 -11.384 -1.652 363 HA ASP 50 HA ASP 50 2.971 -12.210 -3.788 364 1HB ASP 50 1HB ASP 50 3.636 -13.584 -1.760 365 2HB ASP 50 2HB ASP 50 2.535 -12.623 -0.793 366 H MET 51 H MET 51 2.668 -9.866 -1.110 367 HA MET 51 HA MET 51 -0.123 -9.595 -1.274 368 1HB MET 51 1HB MET 51 2.092 -7.763 -0.198 369 2HB MET 51 2HB MET 51 0.385 -7.460 0.063 370 1HG MET 51 1HG MET 51 1.898 -9.959 0.969 371 2HG MET 51 2HG MET 51 1.404 -8.637 2.009 372 1HE MET 51 1HE MET 51 1.037 -11.775 1.023 373 2HE MET 51 2HE MET 51 -0.054 -12.024 2.407 374 3HE MET 51 3HE MET 51 -0.654 -12.256 0.748 375 H ILE 52 H ILE 52 2.602 -7.436 -2.361 376 HA ILE 52 HA ILE 52 1.093 -5.526 -3.600 377 HB ILE 52 HB ILE 52 3.123 -5.169 -5.019 378 1HG1 ILE 52 1HG1 ILE 52 5.132 -6.601 -4.025 379 2HG1 ILE 52 2HG1 ILE 52 3.869 -7.790 -3.781 380 1HG2 ILE 52 1HG2 ILE 52 4.017 -3.987 -3.342 381 2HG2 ILE 52 2HG2 ILE 52 2.665 -4.624 -2.375 382 3HG2 ILE 52 3HG2 ILE 52 4.253 -5.425 -2.319 383 1HD1 ILE 52 1HD1 ILE 52 4.021 -8.351 -5.967 384 2HD1 ILE 52 2HD1 ILE 52 3.452 -6.720 -6.397 385 3HD1 ILE 52 3HD1 ILE 52 5.196 -7.043 -6.243 386 H ASN 53 H ASN 53 2.190 -8.719 -4.867 387 HA ASN 53 HA ASN 53 1.271 -8.298 -7.445 388 1HB ASN 53 1HB ASN 53 2.342 -10.490 -5.848 389 2HB ASN 53 2HB ASN 53 0.988 -11.085 -6.788 390 1HD2 ASN 53 1HD2 ASN 53 3.935 -11.482 -6.958 391 2HD2 ASN 53 2HD2 ASN 53 4.382 -11.120 -8.592 392 H GLU 54 H GLU 54 -0.260 -9.360 -4.392 393 HA GLU 54 HA GLU 54 -2.578 -10.401 -5.585 394 1HB GLU 54 1HB GLU 54 -1.915 -11.090 -3.342 395 2HB GLU 54 2HB GLU 54 -1.979 -9.439 -2.757 396 1HG GLU 54 1HG GLU 54 -4.077 -10.095 -2.056 397 2HG GLU 54 2HG GLU 54 -4.515 -9.611 -3.683 398 H VAL 55 H VAL 55 -1.990 -7.332 -3.711 399 HA VAL 55 HA VAL 55 -4.475 -6.217 -4.214 400 HB VAL 55 HB VAL 55 -3.489 -4.159 -3.495 401 1HG1 VAL 55 1HG1 VAL 55 -2.603 -4.809 -1.374 402 2HG1 VAL 55 2HG1 VAL 55 -3.778 -6.058 -1.852 403 3HG1 VAL 55 3HG1 VAL 55 -2.033 -6.368 -2.015 404 1HG2 VAL 55 1HG2 VAL 55 -0.865 -5.462 -4.243 405 2HG2 VAL 55 2HG2 VAL 55 -1.536 -3.906 -4.788 406 3HG2 VAL 55 3HG2 VAL 55 -0.948 -4.086 -3.117 407 H ASP 56 H ASP 56 -1.368 -5.993 -6.053 408 HA ASP 56 HA ASP 56 -2.074 -4.141 -7.872 409 1HB ASP 56 1HB ASP 56 0.149 -5.044 -7.905 410 2HB ASP 56 2HB ASP 56 -0.431 -6.686 -8.105 411 H ALA 57 H ALA 57 -4.019 -4.089 -9.026 412 HA ALA 57 HA ALA 57 -5.153 -6.626 -9.913 413 1HB ALA 57 1HB ALA 57 -6.405 -4.734 -8.628 414 2HB ALA 57 2HB ALA 57 -6.416 -3.892 -10.197 415 3HB ALA 57 3HB ALA 57 -7.202 -5.481 -10.033 416 H ASP 58 H ASP 58 -4.481 -3.299 -11.229 417 HA ASP 58 HA ASP 58 -4.997 -3.643 -13.781 418 1HB ASP 58 1HB ASP 58 -2.750 -2.279 -14.171 419 2HB ASP 58 2HB ASP 58 -4.090 -1.551 -13.308 420 H GLY 59 H GLY 59 -2.242 -5.025 -11.948 421 1HA GLY 59 1HA GLY 59 -1.191 -7.022 -12.513 422 2HA GLY 59 2HA GLY 59 -1.674 -6.825 -14.186 423 H ASP 60 H ASP 60 0.804 -6.245 -11.805 424 HA ASP 60 HA ASP 60 2.616 -5.541 -13.837 425 1HB ASP 60 1HB ASP 60 2.528 -3.432 -11.699 426 2HB ASP 60 2HB ASP 60 3.074 -3.302 -13.359 427 H GLY 61 H GLY 61 1.853 -5.253 -10.288 428 1HA GLY 61 1HA GLY 61 2.925 -6.906 -8.841 429 2HA GLY 61 2HA GLY 61 4.419 -6.610 -9.709 430 H THR 62 H THR 62 2.239 -3.889 -9.116 431 HA THR 62 HA THR 62 3.832 -3.079 -6.793 432 HB THR 62 HB THR 62 3.275 -1.322 -9.240 433 HG1 THR 62 HG1 THR 62 4.825 -3.111 -9.575 434 1HG2 THR 62 1HG2 THR 62 5.503 -0.361 -7.892 435 2HG2 THR 62 2HG2 THR 62 3.862 0.305 -7.712 436 3HG2 THR 62 3HG2 THR 62 4.470 -0.892 -6.543 437 H ILE 63 H ILE 63 2.824 -1.267 -5.574 438 HA ILE 63 HA ILE 63 -0.039 -1.730 -5.525 439 HB ILE 63 HB ILE 63 1.789 -0.251 -3.629 440 1HG1 ILE 63 1HG1 ILE 63 0.771 -3.090 -3.699 441 2HG1 ILE 63 2HG1 ILE 63 2.422 -2.521 -3.552 442 1HG2 ILE 63 1HG2 ILE 63 -0.156 -0.489 -2.054 443 2HG2 ILE 63 2HG2 ILE 63 -0.402 0.653 -3.396 444 3HG2 ILE 63 3HG2 ILE 63 -1.147 -0.962 -3.454 445 1HD1 ILE 63 1HD1 ILE 63 1.509 -1.346 -1.341 446 2HD1 ILE 63 2HD1 ILE 63 0.243 -2.592 -1.466 447 3HD1 ILE 63 3HD1 ILE 63 1.952 -3.070 -1.331 448 H ASP 64 H ASP 64 -1.439 0.301 -5.033 449 HA ASP 64 HA ASP 64 -0.414 2.648 -6.331 450 1HB ASP 64 1HB ASP 64 -1.604 0.978 -8.017 451 2HB ASP 64 2HB ASP 64 -3.082 1.556 -7.273 452 H PHE 65 H PHE 65 -2.428 4.366 -6.315 453 HA PHE 65 HA PHE 65 -3.175 4.656 -3.646 454 1HB PHE 65 1HB PHE 65 -3.276 6.031 -6.176 455 2HB PHE 65 2HB PHE 65 -4.930 5.997 -5.599 456 HD1 PHE 65 HD1 PHE 65 -4.585 6.268 -2.693 457 HD2 PHE 65 HD2 PHE 65 -2.551 8.213 -5.870 458 HE1 PHE 65 HE1 PHE 65 -4.100 8.219 -1.190 459 HE2 PHE 65 HE2 PHE 65 -2.067 10.163 -4.366 460 HZ PHE 65 HZ PHE 65 -2.847 10.143 -2.044 461 HA PRO 66 HA PRO 66 -7.433 3.148 -5.066 462 1HB PRO 66 1HB PRO 66 -7.756 2.062 -7.553 463 2HB PRO 66 2HB PRO 66 -8.099 3.742 -7.189 464 1HG PRO 66 1HG PRO 66 -5.795 2.593 -8.642 465 2HG PRO 66 2HG PRO 66 -6.373 4.247 -8.633 466 1HD PRO 66 1HD PRO 66 -4.095 3.219 -7.226 467 2HD PRO 66 2HD PRO 66 -4.742 4.845 -7.127 468 H GLU 67 H GLU 67 -4.654 1.357 -6.033 469 HA GLU 67 HA GLU 67 -5.892 -1.149 -5.764 470 1HB GLU 67 1HB GLU 67 -3.045 -0.158 -5.953 471 2HB GLU 67 2HB GLU 67 -3.331 -1.826 -5.497 472 1HG GLU 67 1HG GLU 67 -4.721 -2.147 -7.558 473 2HG GLU 67 2HG GLU 67 -4.424 -0.482 -8.015 474 H PHE 68 H PHE 68 -3.483 0.596 -3.659 475 HA PHE 68 HA PHE 68 -3.570 -1.174 -1.555 476 1HB PHE 68 1HB PHE 68 -2.273 1.151 -2.225 477 2HB PHE 68 2HB PHE 68 -3.431 1.822 -1.093 478 HD1 PHE 68 HD1 PHE 68 -2.089 2.420 0.724 479 HD2 PHE 68 HD2 PHE 68 -1.733 -1.480 -0.911 480 HE1 PHE 68 HE1 PHE 68 -0.605 1.754 2.636 481 HE2 PHE 68 HE2 PHE 68 -0.249 -2.146 1.001 482 HZ PHE 68 HZ PHE 68 0.297 -0.521 2.751 483 H LEU 69 H LEU 69 -5.711 1.616 -2.329 484 HA LEU 69 HA LEU 69 -7.033 1.888 0.035 485 1HB LEU 69 1HB LEU 69 -8.159 3.347 -1.164 486 2HB LEU 69 2HB LEU 69 -7.290 2.790 -2.580 487 HG LEU 69 HG LEU 69 -9.193 0.975 -2.690 488 1HD1 LEU 69 1HD1 LEU 69 -10.578 3.181 -1.140 489 2HD1 LEU 69 2HD1 LEU 69 -11.350 1.754 -1.873 490 3HD1 LEU 69 3HD1 LEU 69 -10.202 1.552 -0.527 491 1HD2 LEU 69 1HD2 LEU 69 -8.940 3.698 -3.732 492 2HD2 LEU 69 2HD2 LEU 69 -9.339 2.176 -4.566 493 3HD2 LEU 69 3HD2 LEU 69 -10.615 3.095 -3.731 494 H THR 70 H THR 70 -7.545 -0.575 -2.547 495 HA THR 70 HA THR 70 -9.776 -1.754 -1.221 496 HB THR 70 HB THR 70 -7.930 -2.494 -3.535 497 HG1 THR 70 HG1 THR 70 -10.192 -2.205 -4.494 498 1HG2 THR 70 1HG2 THR 70 -9.057 -4.511 -2.143 499 2HG2 THR 70 2HG2 THR 70 -10.519 -3.954 -2.991 500 3HG2 THR 70 3HG2 THR 70 -9.100 -4.491 -3.922 501 H MET 71 H MET 71 -6.238 -2.378 -1.296 502 HA MET 71 HA MET 71 -6.236 -4.802 -0.075 503 1HB MET 71 1HB MET 71 -4.205 -3.703 -0.955 504 2HB MET 71 2HB MET 71 -4.345 -2.405 0.214 505 1HG MET 71 1HG MET 71 -4.328 -4.765 1.782 506 2HG MET 71 2HG MET 71 -3.134 -5.062 0.533 507 1HE MET 71 1HE MET 71 -1.825 -3.562 4.144 508 2HE MET 71 2HE MET 71 -3.580 -3.286 4.035 509 3HE MET 71 3HE MET 71 -2.895 -4.861 3.564 510 H MET 72 H MET 72 -5.885 -1.578 1.587 511 HA MET 72 HA MET 72 -5.934 -2.574 4.134 512 1HB MET 72 1HB MET 72 -5.636 -0.113 3.005 513 2HB MET 72 2HB MET 72 -7.299 0.059 3.529 514 1HG MET 72 1HG MET 72 -6.547 0.535 5.618 515 2HG MET 72 2HG MET 72 -5.948 -1.107 5.743 516 1HE MET 72 1HE MET 72 -2.557 -0.031 6.765 517 2HE MET 72 2HE MET 72 -4.204 -0.136 7.433 518 3HE MET 72 3HE MET 72 -3.562 -1.461 6.432 519 H ALA 73 H ALA 73 -8.711 -1.058 2.325 520 HA ALA 73 HA ALA 73 -10.686 -1.406 4.118 521 1HB ALA 73 1HB ALA 73 -12.018 -0.855 2.364 522 2HB ALA 73 2HB ALA 73 -10.488 -0.700 1.468 523 3HB ALA 73 3HB ALA 73 -11.430 -2.207 1.368 524 H ARG 74 H ARG 74 -9.694 -3.879 1.640 525 HA ARG 74 HA ARG 74 -11.402 -5.817 2.585 526 1HB ARG 74 1HB ARG 74 -8.747 -6.001 1.086 527 2HB ARG 74 2HB ARG 74 -9.739 -7.411 1.400 528 1HG ARG 74 1HG ARG 74 -11.354 -5.225 0.295 529 2HG ARG 74 2HG ARG 74 -10.000 -5.591 -0.756 530 1HD ARG 74 1HD ARG 74 -10.643 -7.970 -0.846 531 2HD ARG 74 2HD ARG 74 -11.906 -7.714 0.343 532 HE ARG 74 HE ARG 74 -13.276 -6.807 -1.330 533 1HH1 ARG 74 2HH2 ARG 74 -9.951 -6.909 -2.479 534 2HH1 ARG 74 1HH2 ARG 74 -10.363 -6.461 -4.101 535 1HH2 ARG 74 2HH1 ARG 74 -13.820 -6.217 -3.470 536 2HH2 ARG 74 1HH1 ARG 74 -12.578 -6.065 -4.668 537 H LYS 75 H LYS 75 -8.020 -4.947 3.459 538 HA LYS 75 HA LYS 75 -7.247 -7.104 4.906 539 1HB LYS 75 1HB LYS 75 -6.096 -4.811 4.377 540 2HB LYS 75 2HB LYS 75 -6.729 -4.326 5.937 541 1HG LYS 75 1HG LYS 75 -4.516 -5.213 6.328 542 2HG LYS 75 2HG LYS 75 -5.651 -6.393 6.952 543 1HD LYS 75 1HD LYS 75 -4.935 -6.769 4.083 544 2HD LYS 75 2HD LYS 75 -3.597 -6.970 5.197 545 1HE LYS 75 1HE LYS 75 -5.937 -8.309 6.285 546 2HE LYS 75 2HE LYS 75 -5.703 -8.831 4.629 547 1HZ LYS 75 1HZ LYS 75 -3.221 -8.749 5.849 548 2HZ LYS 75 2HZ LYS 75 -4.226 -9.538 6.866 549 3HZ LYS 75 3HZ LYS 75 -4.041 -10.063 5.330 550 H MET 76 H MET 76 -9.042 -4.236 6.244 551 HA MET 76 HA MET 76 -9.387 -5.202 8.748 552 1HB MET 76 1HB MET 76 -10.768 -3.275 6.928 553 2HB MET 76 2HB MET 76 -11.785 -3.860 8.229 554 1HG MET 76 1HG MET 76 -9.416 -3.319 9.578 555 2HG MET 76 2HG MET 76 -9.412 -2.071 8.347 556 1HE MET 76 1HE MET 76 -11.563 -3.931 10.927 557 2HE MET 76 2HE MET 76 -10.545 -2.816 11.870 558 3HE MET 76 3HE MET 76 -12.310 -2.593 11.831 559 H LYS 77 H LYS 77 -11.395 -5.835 5.815 560 HA LYS 77 HA LYS 77 -13.429 -7.227 7.121 561 1HB LYS 77 1HB LYS 77 -12.780 -6.452 4.492 562 2HB LYS 77 2HB LYS 77 -12.933 -8.196 4.434 563 1HG LYS 77 1HG LYS 77 -15.148 -7.989 5.658 564 2HG LYS 77 2HG LYS 77 -15.001 -6.246 5.553 565 1HD LYS 77 1HD LYS 77 -14.636 -7.700 2.969 566 2HD LYS 77 2HD LYS 77 -16.243 -7.807 3.658 567 1HE LYS 77 1HE LYS 77 -15.135 -5.067 3.786 568 2HE LYS 77 2HE LYS 77 -15.250 -5.670 2.145 569 1HZ LYS 77 1HZ LYS 77 -17.289 -4.668 2.739 570 2HZ LYS 77 2HZ LYS 77 -17.562 -6.277 2.657 571 3HZ LYS 77 3HZ LYS 77 -17.427 -5.544 4.111 572 H ASP 78 H ASP 78 -10.510 -8.475 5.348 573 HA ASP 78 HA ASP 78 -10.888 -11.096 5.799 574 1HB ASP 78 1HB ASP 78 -8.683 -9.345 5.128 575 2HB ASP 78 2HB ASP 78 -8.095 -10.546 6.262 576 H THR 79 H THR 79 -8.805 -8.876 7.823 577 HA THR 79 HA THR 79 -8.455 -10.713 9.917 578 HB THR 79 HB THR 79 -7.004 -8.719 9.388 579 HG1 THR 79 HG1 THR 79 -8.366 -8.555 11.977 580 1HG2 THR 79 1HG2 THR 79 -8.105 -6.642 10.808 581 2HG2 THR 79 2HG2 THR 79 -8.202 -6.764 9.035 582 3HG2 THR 79 3HG2 THR 79 -9.566 -7.308 10.040 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -16.487 6.772 6.803 2 HA ALA 1 HA ALA 1 -18.218 5.644 7.644 3 1HB ALA 1 1HB ALA 1 -18.672 8.525 7.855 4 2HB ALA 1 2HB ALA 1 -20.198 7.609 7.913 5 3HB ALA 1 3HB ALA 1 -18.898 7.247 9.074 6 H ASP 2 H ASP 2 -19.247 7.825 4.956 7 HA ASP 2 HA ASP 2 -21.633 6.600 4.421 8 1HB ASP 2 1HB ASP 2 -19.728 8.372 3.031 9 2HB ASP 2 2HB ASP 2 -20.585 7.334 1.909 10 H GLN 3 H GLN 3 -18.282 5.971 3.172 11 HA GLN 3 HA GLN 3 -19.142 3.286 2.525 12 1HB GLN 3 1HB GLN 3 -18.099 3.343 0.307 13 2HB GLN 3 2HB GLN 3 -19.331 4.585 0.412 14 1HG GLN 3 1HG GLN 3 -16.750 5.625 1.324 15 2HG GLN 3 2HG GLN 3 -16.600 4.936 -0.281 16 1HE2 GLN 3 1HE2 GLN 3 -16.474 6.695 -1.511 17 2HE2 GLN 3 2HE2 GLN 3 -17.681 7.929 -1.651 18 H LEU 4 H LEU 4 -17.445 4.796 4.595 19 HA LEU 4 HA LEU 4 -15.618 4.365 5.760 20 1HB LEU 4 1HB LEU 4 -16.174 2.011 5.351 21 2HB LEU 4 2HB LEU 4 -15.231 2.037 3.873 22 HG LEU 4 HG LEU 4 -14.123 0.974 5.866 23 1HD1 LEU 4 1HD1 LEU 4 -12.916 1.834 3.847 24 2HD1 LEU 4 2HD1 LEU 4 -12.598 3.337 4.747 25 3HD1 LEU 4 3HD1 LEU 4 -11.942 1.791 5.336 26 1HD2 LEU 4 1HD2 LEU 4 -14.997 3.089 7.294 27 2HD2 LEU 4 2HD2 LEU 4 -13.616 2.072 7.771 28 3HD2 LEU 4 3HD2 LEU 4 -13.336 3.621 6.939 29 H THR 5 H THR 5 -14.767 3.627 2.299 30 HA THR 5 HA THR 5 -12.230 4.616 2.300 31 HB THR 5 HB THR 5 -14.436 4.656 0.180 32 HG1 THR 5 HG1 THR 5 -13.812 2.539 0.567 33 1HG2 THR 5 1HG2 THR 5 -12.712 6.204 -0.619 34 2HG2 THR 5 2HG2 THR 5 -11.418 5.119 -0.056 35 3HG2 THR 5 3HG2 THR 5 -12.448 4.640 -1.427 36 H GLU 6 H GLU 6 -15.220 6.421 2.647 37 HA GLU 6 HA GLU 6 -14.389 8.855 1.702 38 1HB GLU 6 1HB GLU 6 -16.717 8.220 2.442 39 2HB GLU 6 2HB GLU 6 -16.192 8.344 4.109 40 1HG GLU 6 1HG GLU 6 -15.794 10.705 3.931 41 2HG GLU 6 2HG GLU 6 -15.817 10.664 2.179 42 H GLU 7 H GLU 7 -14.354 7.709 5.162 43 HA GLU 7 HA GLU 7 -12.779 9.894 5.961 44 1HB GLU 7 1HB GLU 7 -12.597 8.599 8.121 45 2HB GLU 7 2HB GLU 7 -14.242 8.844 7.571 46 1HG GLU 7 1HG GLU 7 -14.591 6.606 7.180 47 2HG GLU 7 2HG GLU 7 -12.986 6.363 6.520 48 H GLN 8 H GLN 8 -12.121 6.594 4.803 49 HA GLN 8 HA GLN 8 -9.514 6.415 5.740 50 1HB GLN 8 1HB GLN 8 -11.281 4.776 4.349 51 2HB GLN 8 2HB GLN 8 -10.040 5.082 3.150 52 1HG GLN 8 1HG GLN 8 -9.458 3.085 4.472 53 2HG GLN 8 2HG GLN 8 -8.282 4.353 4.757 54 1HE2 GLN 8 1HE2 GLN 8 -7.912 5.049 6.746 55 2HE2 GLN 8 2HE2 GLN 8 -8.805 4.619 8.167 56 H ILE 9 H ILE 9 -10.872 7.530 2.567 57 HA ILE 9 HA ILE 9 -8.532 7.994 1.239 58 HB ILE 9 HB ILE 9 -11.266 9.179 1.174 59 1HG1 ILE 9 1HG1 ILE 9 -9.539 7.589 -0.735 60 2HG1 ILE 9 2HG1 ILE 9 -10.978 7.054 0.110 61 1HG2 ILE 9 1HG2 ILE 9 -10.442 11.167 0.524 62 2HG2 ILE 9 2HG2 ILE 9 -8.835 10.503 0.148 63 3HG2 ILE 9 3HG2 ILE 9 -10.164 10.332 -1.023 64 1HD1 ILE 9 1HD1 ILE 9 -10.733 8.828 -2.298 65 2HD1 ILE 9 2HD1 ILE 9 -11.941 7.574 -1.928 66 3HD1 ILE 9 3HD1 ILE 9 -12.059 9.177 -1.163 67 H ALA 10 H ALA 10 -10.236 10.129 3.606 68 HA ALA 10 HA ALA 10 -8.689 12.363 3.390 69 1HB ALA 10 1HB ALA 10 -9.880 11.055 5.868 70 2HB ALA 10 2HB ALA 10 -9.310 12.739 5.781 71 3HB ALA 10 3HB ALA 10 -10.687 12.212 4.783 72 H GLU 11 H GLU 11 -8.046 9.376 5.336 73 HA GLU 11 HA GLU 11 -5.616 10.385 6.323 74 1HB GLU 11 1HB GLU 11 -7.040 7.737 6.337 75 2HB GLU 11 2HB GLU 11 -5.328 7.733 6.710 76 1HG GLU 11 1HG GLU 11 -5.655 9.333 8.540 77 2HG GLU 11 2HG GLU 11 -7.333 9.572 8.094 78 H PHE 12 H PHE 12 -6.495 8.042 3.700 79 HA PHE 12 HA PHE 12 -3.939 7.356 2.946 80 1HB PHE 12 1HB PHE 12 -6.573 7.789 1.424 81 2HB PHE 12 2HB PHE 12 -5.183 7.043 0.662 82 HD1 PHE 12 HD1 PHE 12 -4.218 5.403 3.010 83 HD2 PHE 12 HD2 PHE 12 -8.100 6.004 1.406 84 HE1 PHE 12 HE1 PHE 12 -4.931 3.167 3.899 85 HE2 PHE 12 HE2 PHE 12 -8.814 3.768 2.295 86 HZ PHE 12 HZ PHE 12 -7.221 2.376 3.531 87 H LYS 13 H LYS 13 -5.997 10.135 1.882 88 HA LYS 13 HA LYS 13 -4.552 11.107 -0.171 89 1HB LYS 13 1HB LYS 13 -6.686 11.972 1.154 90 2HB LYS 13 2HB LYS 13 -5.518 13.047 1.896 91 1HG LYS 13 1HG LYS 13 -5.800 14.375 0.069 92 2HG LYS 13 2HG LYS 13 -4.812 13.210 -0.790 93 1HD LYS 13 1HD LYS 13 -6.642 13.076 -2.174 94 2HD LYS 13 2HD LYS 13 -7.217 11.941 -0.969 95 1HE LYS 13 1HE LYS 13 -7.768 14.873 -0.512 96 2HE LYS 13 2HE LYS 13 -8.701 14.049 -1.746 97 1HZ LYS 13 1HZ LYS 13 -8.620 12.410 0.480 98 2HZ LYS 13 2HZ LYS 13 -9.006 13.907 1.008 99 3HZ LYS 13 3HZ LYS 13 -9.912 13.189 -0.145 100 H GLU 14 H GLU 14 -3.985 12.027 3.305 101 HA GLU 14 HA GLU 14 -1.555 13.277 2.635 102 1HB GLU 14 1HB GLU 14 -3.070 12.647 5.146 103 2HB GLU 14 2HB GLU 14 -1.356 12.966 5.322 104 1HG GLU 14 1HG GLU 14 -2.889 14.862 3.571 105 2HG GLU 14 2HG GLU 14 -3.238 14.935 5.287 106 H ALA 15 H ALA 15 -2.358 10.231 4.460 107 HA ALA 15 HA ALA 15 0.074 9.293 5.042 108 1HB ALA 15 1HB ALA 15 -1.672 7.919 5.699 109 2HB ALA 15 2HB ALA 15 -2.477 8.002 4.114 110 3HB ALA 15 3HB ALA 15 -1.033 6.984 4.326 111 H PHE 16 H PHE 16 -1.525 9.111 1.799 112 HA PHE 16 HA PHE 16 0.072 7.599 0.360 113 1HB PHE 16 1HB PHE 16 -1.764 9.051 -0.516 114 2HB PHE 16 2HB PHE 16 -0.824 10.492 -0.179 115 HD1 PHE 16 HD1 PHE 16 -0.531 7.323 -2.139 116 HD2 PHE 16 HD2 PHE 16 0.286 11.483 -1.939 117 HE1 PHE 16 HE1 PHE 16 0.414 7.250 -4.463 118 HE2 PHE 16 HE2 PHE 16 1.231 11.409 -4.263 119 HZ PHE 16 HZ PHE 16 1.284 9.293 -5.497 120 H SER 17 H SER 17 0.884 11.089 1.011 121 HA SER 17 HA SER 17 3.187 11.330 -0.225 122 1HB SER 17 1HB SER 17 1.938 12.845 1.575 123 2HB SER 17 2HB SER 17 3.137 12.188 2.671 124 HG SER 17 HG SER 17 3.660 14.267 1.471 125 H LEU 18 H LEU 18 2.745 9.681 2.970 126 HA LEU 18 HA LEU 18 5.496 9.049 3.235 127 1HB LEU 18 1HB LEU 18 3.052 7.899 4.590 128 2HB LEU 18 2HB LEU 18 4.711 7.611 5.074 129 HG LEU 18 HG LEU 18 3.859 10.457 4.901 130 1HD1 LEU 18 1HD1 LEU 18 1.879 9.407 5.897 131 2HD1 LEU 18 2HD1 LEU 18 2.905 8.647 7.138 132 3HD1 LEU 18 3HD1 LEU 18 2.752 10.419 7.072 133 1HD2 LEU 18 1HD2 LEU 18 5.392 10.784 6.636 134 2HD2 LEU 18 2HD2 LEU 18 5.341 9.076 7.133 135 3HD2 LEU 18 3HD2 LEU 18 6.146 9.537 5.614 136 H PHE 19 H PHE 19 2.572 7.036 2.442 137 HA PHE 19 HA PHE 19 3.767 4.679 1.956 138 1HB PHE 19 1HB PHE 19 1.601 6.213 0.404 139 2HB PHE 19 2HB PHE 19 1.898 4.505 0.143 140 HD1 PHE 19 HD1 PHE 19 -0.670 5.916 1.120 141 HD2 PHE 19 HD2 PHE 19 2.487 3.940 3.154 142 HE1 PHE 19 HE1 PHE 19 -2.233 5.356 3.003 143 HE2 PHE 19 HE2 PHE 19 0.924 3.380 5.037 144 HZ PHE 19 HZ PHE 19 -1.417 4.094 4.939 145 H ASP 20 H ASP 20 3.327 7.323 -0.504 146 HA ASP 20 HA ASP 20 4.849 5.898 -2.403 147 1HB ASP 20 1HB ASP 20 3.017 7.759 -2.721 148 2HB ASP 20 2HB ASP 20 4.326 8.892 -2.451 149 H LYS 21 H LYS 21 7.015 5.552 -1.707 150 HA LYS 21 HA LYS 21 8.457 7.598 -0.343 151 1HB LYS 21 1HB LYS 21 9.560 5.069 -1.587 152 2HB LYS 21 2HB LYS 21 10.253 6.017 -0.286 153 1HG LYS 21 1HG LYS 21 7.494 4.748 -0.047 154 2HG LYS 21 2HG LYS 21 8.951 3.867 0.367 155 1HD LYS 21 1HD LYS 21 9.544 5.500 2.084 156 2HD LYS 21 2HD LYS 21 8.272 6.589 1.567 157 1HE LYS 21 1HE LYS 21 6.561 4.840 2.188 158 2HE LYS 21 2HE LYS 21 7.854 3.809 2.768 159 1HZ LYS 21 1HZ LYS 21 6.701 6.098 3.994 160 2HZ LYS 21 2HZ LYS 21 7.545 4.874 4.668 161 3HZ LYS 21 3HZ LYS 21 8.333 6.141 4.005 162 H ASP 22 H ASP 22 8.709 6.062 -3.627 163 HA ASP 22 HA ASP 22 10.735 7.540 -4.590 164 1HB ASP 22 1HB ASP 22 8.326 6.212 -5.753 165 2HB ASP 22 2HB ASP 22 9.074 7.408 -6.793 166 H GLY 23 H GLY 23 7.171 8.262 -4.941 167 1HA GLY 23 1HA GLY 23 6.244 10.382 -4.532 168 2HA GLY 23 2HA GLY 23 7.791 11.135 -4.865 169 H ASP 24 H ASP 24 6.258 8.539 -6.835 170 HA ASP 24 HA ASP 24 6.111 10.501 -8.985 171 1HB ASP 24 1HB ASP 24 6.019 8.208 -10.360 172 2HB ASP 24 2HB ASP 24 7.547 8.904 -9.857 173 H GLY 25 H GLY 25 4.554 7.746 -7.262 174 1HA GLY 25 1HA GLY 25 2.101 8.185 -6.953 175 2HA GLY 25 2HA GLY 25 2.031 8.300 -8.700 176 H THR 26 H THR 26 4.054 6.044 -6.733 177 HA THR 26 HA THR 26 2.290 3.833 -7.194 178 HB THR 26 HB THR 26 4.136 2.628 -8.572 179 HG1 THR 26 HG1 THR 26 4.829 5.471 -8.579 180 1HG2 THR 26 1HG2 THR 26 1.973 3.790 -9.545 181 2HG2 THR 26 2HG2 THR 26 3.095 5.081 -10.039 182 3HG2 THR 26 3HG2 THR 26 3.312 3.427 -10.660 183 H ILE 27 H ILE 27 2.415 2.572 -5.452 184 HA ILE 27 HA ILE 27 4.684 2.952 -3.698 185 HB ILE 27 HB ILE 27 1.969 1.712 -3.471 186 1HG1 ILE 27 1HG1 ILE 27 2.072 3.228 -1.368 187 2HG1 ILE 27 2HG1 ILE 27 3.474 3.954 -2.129 188 1HG2 ILE 27 1HG2 ILE 27 3.050 0.020 -2.355 189 2HG2 ILE 27 2HG2 ILE 27 4.383 1.070 -1.818 190 3HG2 ILE 27 3HG2 ILE 27 2.789 1.185 -1.035 191 1HD1 ILE 27 1HD1 ILE 27 0.635 4.277 -2.783 192 2HD1 ILE 27 2HD1 ILE 27 2.028 5.264 -3.287 193 3HD1 ILE 27 3HD1 ILE 27 1.586 3.809 -4.213 194 H THR 28 H THR 28 6.300 1.997 -5.139 195 HA THR 28 HA THR 28 6.217 -0.484 -6.264 196 HB THR 28 HB THR 28 8.527 0.976 -4.877 197 HG1 THR 28 HG1 THR 28 7.644 0.735 -7.661 198 1HG2 THR 28 1HG2 THR 28 9.648 -0.262 -7.008 199 2HG2 THR 28 2HG2 THR 28 9.586 -1.041 -5.409 200 3HG2 THR 28 3HG2 THR 28 8.381 -1.459 -6.651 201 H THR 29 H THR 29 6.910 -2.602 -5.674 202 HA THR 29 HA THR 29 5.813 -3.563 -3.353 203 HB THR 29 HB THR 29 7.040 -5.620 -3.942 204 HG1 THR 29 HG1 THR 29 8.756 -5.222 -5.664 205 1HG2 THR 29 1HG2 THR 29 5.477 -4.207 -5.807 206 2HG2 THR 29 2HG2 THR 29 6.968 -4.578 -6.705 207 3HG2 THR 29 3HG2 THR 29 6.017 -5.894 -5.977 208 H LYS 30 H LYS 30 9.262 -2.640 -3.931 209 HA LYS 30 HA LYS 30 10.062 -3.327 -1.321 210 1HB LYS 30 1HB LYS 30 12.146 -2.472 -1.921 211 2HB LYS 30 2HB LYS 30 11.479 -3.037 -3.439 212 1HG LYS 30 1HG LYS 30 10.579 -0.596 -3.730 213 2HG LYS 30 2HG LYS 30 11.684 -0.173 -2.437 214 1HD LYS 30 1HD LYS 30 13.007 0.193 -4.349 215 2HD LYS 30 2HD LYS 30 13.502 -1.417 -3.866 216 1HE LYS 30 1HE LYS 30 11.752 -2.351 -5.482 217 2HE LYS 30 2HE LYS 30 11.485 -0.714 -6.049 218 1HZ LYS 30 1HZ LYS 30 13.137 -1.198 -7.427 219 2HZ LYS 30 2HZ LYS 30 14.141 -0.930 -6.167 220 3HZ LYS 30 3HZ LYS 30 13.690 -2.454 -6.543 221 H GLU 31 H GLU 31 8.662 -0.403 -2.818 222 HA GLU 31 HA GLU 31 9.271 1.321 -0.729 223 1HB GLU 31 1HB GLU 31 7.239 1.300 -2.964 224 2HB GLU 31 2HB GLU 31 7.112 2.525 -1.717 225 1HG GLU 31 1HG GLU 31 9.522 3.156 -2.141 226 2HG GLU 31 2HG GLU 31 9.574 1.986 -3.444 227 H LEU 32 H LEU 32 6.798 -1.171 -1.151 228 HA LEU 32 HA LEU 32 4.987 -0.212 0.777 229 1HB LEU 32 1HB LEU 32 4.213 -1.744 -0.826 230 2HB LEU 32 2HB LEU 32 5.503 -2.884 -0.499 231 HG LEU 32 HG LEU 32 4.507 -3.282 1.768 232 1HD1 LEU 32 1HD1 LEU 32 3.277 -1.301 2.184 233 2HD1 LEU 32 2HD1 LEU 32 2.340 -1.475 0.681 234 3HD1 LEU 32 3HD1 LEU 32 2.083 -2.612 2.027 235 1HD2 LEU 32 1HD2 LEU 32 3.284 -4.994 0.962 236 2HD2 LEU 32 2HD2 LEU 32 2.303 -3.947 -0.090 237 3HD2 LEU 32 3HD2 LEU 32 3.932 -4.448 -0.603 238 H GLY 33 H GLY 33 7.720 -2.586 0.916 239 1HA GLY 33 1HA GLY 33 7.460 -3.311 3.585 240 2HA GLY 33 2HA GLY 33 8.943 -3.325 2.650 241 H THR 34 H THR 34 8.950 -0.418 2.055 242 HA THR 34 HA THR 34 10.430 0.480 4.224 243 HB THR 34 HB THR 34 8.960 1.956 1.978 244 HG1 THR 34 HG1 THR 34 11.720 1.090 2.484 245 1HG2 THR 34 1HG2 THR 34 11.390 2.861 3.601 246 2HG2 THR 34 2HG2 THR 34 10.527 3.784 2.348 247 3HG2 THR 34 3HG2 THR 34 9.743 3.460 3.913 248 H VAL 35 H VAL 35 7.022 1.341 3.324 249 HA VAL 35 HA VAL 35 6.527 2.998 5.448 250 HB VAL 35 HB VAL 35 4.730 1.074 3.964 251 1HG1 VAL 35 1HG1 VAL 35 4.150 2.983 6.175 252 2HG1 VAL 35 2HG1 VAL 35 3.022 2.978 4.799 253 3HG1 VAL 35 3HG1 VAL 35 3.323 1.478 5.708 254 1HG2 VAL 35 1HG2 VAL 35 4.855 4.070 3.626 255 2HG2 VAL 35 2HG2 VAL 35 5.988 2.997 2.769 256 3HG2 VAL 35 3HG2 VAL 35 4.235 2.835 2.504 257 H MET 36 H MET 36 5.990 -0.590 5.249 258 HA MET 36 HA MET 36 4.943 -1.064 7.639 259 1HB MET 36 1HB MET 36 7.233 -2.575 6.263 260 2HB MET 36 2HB MET 36 6.271 -3.258 7.559 261 1HG MET 36 1HG MET 36 4.946 -2.152 5.052 262 2HG MET 36 2HG MET 36 5.577 -3.786 5.087 263 1HE MET 36 1HE MET 36 3.006 -1.585 5.393 264 2HE MET 36 2HE MET 36 1.981 -2.993 5.026 265 3HE MET 36 3HE MET 36 1.791 -2.133 6.573 266 H ARG 37 H ARG 37 8.501 -0.698 7.000 267 HA ARG 37 HA ARG 37 9.292 -1.127 9.590 268 1HB ARG 37 1HB ARG 37 10.484 0.436 7.269 269 2HB ARG 37 2HB ARG 37 11.305 0.407 8.817 270 1HG ARG 37 1HG ARG 37 12.097 -1.687 8.441 271 2HG ARG 37 2HG ARG 37 10.488 -2.297 8.107 272 1HD ARG 37 1HD ARG 37 10.692 -1.997 5.801 273 2HD ARG 37 2HD ARG 37 11.763 -0.620 5.961 274 HE ARG 37 HE ARG 37 13.323 -2.649 6.945 275 1HH1 ARG 37 2HH2 ARG 37 11.417 -2.354 4.001 276 2HH1 ARG 37 1HH2 ARG 37 12.444 -3.400 3.079 277 1HH2 ARG 37 2HH1 ARG 37 14.678 -4.029 5.728 278 2HH2 ARG 37 1HH1 ARG 37 14.312 -4.360 4.068 279 H SER 38 H SER 38 8.222 1.857 7.881 280 HA SER 38 HA SER 38 8.980 3.694 9.760 281 1HB SER 38 1HB SER 38 8.015 4.102 7.433 282 2HB SER 38 2HB SER 38 6.424 3.800 8.103 283 HG SER 38 HG SER 38 7.463 5.570 9.767 284 H LEU 39 H LEU 39 6.487 1.234 9.864 285 HA LEU 39 HA LEU 39 4.976 2.564 11.930 286 1HB LEU 39 1HB LEU 39 4.772 -0.145 10.616 287 2HB LEU 39 2HB LEU 39 3.723 0.378 11.918 288 HG LEU 39 HG LEU 39 3.978 1.963 9.361 289 1HD1 LEU 39 1HD1 LEU 39 3.321 -0.507 9.019 290 2HD1 LEU 39 2HD1 LEU 39 1.791 -0.057 9.810 291 3HD1 LEU 39 3HD1 LEU 39 2.289 0.756 8.307 292 1HD2 LEU 39 1HD2 LEU 39 1.610 1.782 11.223 293 2HD2 LEU 39 2HD2 LEU 39 2.946 2.927 11.493 294 3HD2 LEU 39 3HD2 LEU 39 1.983 3.020 9.999 295 H GLY 40 H GLY 40 7.327 -0.146 11.579 296 1HA GLY 40 1HA GLY 40 8.868 -0.049 13.620 297 2HA GLY 40 2HA GLY 40 7.400 -0.380 14.517 298 H GLN 41 H GLN 41 8.485 -1.628 11.288 299 HA GLN 41 HA GLN 41 8.757 -4.242 12.505 300 1HB GLN 41 1HB GLN 41 6.823 -3.496 10.300 301 2HB GLN 41 2HB GLN 41 7.503 -5.110 10.344 302 1HG GLN 41 1HG GLN 41 6.761 -4.798 12.984 303 2HG GLN 41 2HG GLN 41 5.537 -3.831 12.186 304 1HE2 GLN 41 1HE2 GLN 41 4.440 -4.822 10.304 305 2HE2 GLN 41 2HE2 GLN 41 4.044 -6.508 10.361 306 H ASN 42 H ASN 42 9.330 -5.793 10.301 307 HA ASN 42 HA ASN 42 11.083 -4.334 8.583 308 1HB ASN 42 1HB ASN 42 12.093 -5.675 10.969 309 2HB ASN 42 2HB ASN 42 12.699 -6.508 9.551 310 1HD2 ASN 42 1HD2 ASN 42 11.926 -3.107 10.288 311 2HD2 ASN 42 2HD2 ASN 42 13.465 -2.435 9.861 312 HA PRO 43 HA PRO 43 9.149 -8.261 7.110 313 1HB PRO 43 1HB PRO 43 7.429 -7.229 5.255 314 2HB PRO 43 2HB PRO 43 6.946 -7.629 6.891 315 1HG PRO 43 1HG PRO 43 7.435 -4.967 5.701 316 2HG PRO 43 2HG PRO 43 6.561 -5.371 7.165 317 1HD PRO 43 1HD PRO 43 9.211 -4.287 6.993 318 2HD PRO 43 2HD PRO 43 8.380 -4.799 8.449 319 H THR 44 H THR 44 9.170 -9.322 4.932 320 HA THR 44 HA THR 44 11.446 -8.147 3.497 321 HB THR 44 HB THR 44 11.435 -10.614 2.566 322 HG1 THR 44 HG1 THR 44 10.223 -11.997 4.041 323 1HG2 THR 44 1HG2 THR 44 13.042 -11.057 4.137 324 2HG2 THR 44 2HG2 THR 44 12.640 -9.480 4.857 325 3HG2 THR 44 3HG2 THR 44 11.855 -10.959 5.460 326 H GLU 45 H GLU 45 11.469 -8.091 1.174 327 HA GLU 45 HA GLU 45 9.040 -7.132 0.183 328 1HB GLU 45 1HB GLU 45 10.257 -6.883 -1.943 329 2HB GLU 45 2HB GLU 45 11.249 -6.337 -0.605 330 1HG GLU 45 1HG GLU 45 11.564 -9.227 -1.233 331 2HG GLU 45 2HG GLU 45 12.046 -8.162 -2.539 332 H ALA 46 H ALA 46 10.378 -10.324 0.486 333 HA ALA 46 HA ALA 46 9.125 -11.496 -1.767 334 1HB ALA 46 1HB ALA 46 9.848 -13.563 -0.795 335 2HB ALA 46 2HB ALA 46 11.111 -12.365 -0.424 336 3HB ALA 46 3HB ALA 46 9.943 -12.844 0.830 337 H GLU 47 H GLU 47 8.357 -11.638 1.790 338 HA GLU 47 HA GLU 47 5.990 -12.937 1.544 339 1HB GLU 47 1HB GLU 47 7.169 -11.044 3.551 340 2HB GLU 47 2HB GLU 47 5.456 -11.380 3.698 341 1HG GLU 47 1HG GLU 47 7.121 -13.799 3.223 342 2HG GLU 47 2HG GLU 47 7.483 -12.972 4.725 343 H LEU 48 H LEU 48 6.653 -9.395 1.316 344 HA LEU 48 HA LEU 48 3.914 -8.712 1.028 345 1HB LEU 48 1HB LEU 48 6.529 -7.284 0.667 346 2HB LEU 48 2HB LEU 48 5.028 -6.537 0.158 347 HG LEU 48 HG LEU 48 5.520 -5.708 2.323 348 1HD1 LEU 48 1HD1 LEU 48 3.545 -7.738 3.206 349 2HD1 LEU 48 2HD1 LEU 48 3.481 -5.960 3.264 350 3HD1 LEU 48 3HD1 LEU 48 3.138 -6.814 1.740 351 1HD2 LEU 48 1HD2 LEU 48 5.704 -7.377 4.285 352 2HD2 LEU 48 2HD2 LEU 48 6.096 -8.577 3.029 353 3HD2 LEU 48 3HD2 LEU 48 7.118 -7.133 3.232 354 H GLN 49 H GLN 49 6.431 -9.934 -1.095 355 HA GLN 49 HA GLN 49 5.697 -8.930 -3.492 356 1HB GLN 49 1HB GLN 49 7.594 -10.576 -2.874 357 2HB GLN 49 2HB GLN 49 6.417 -11.857 -3.089 358 1HG GLN 49 1HG GLN 49 5.990 -11.092 -5.424 359 2HG GLN 49 2HG GLN 49 7.135 -9.782 -5.214 360 1HE2 GLN 49 1HE2 GLN 49 6.673 -13.000 -6.093 361 2HE2 GLN 49 2HE2 GLN 49 8.320 -13.515 -6.236 362 H ASP 50 H ASP 50 4.141 -11.552 -1.593 363 HA ASP 50 HA ASP 50 2.422 -12.344 -3.650 364 1HB ASP 50 1HB ASP 50 3.020 -13.637 -1.532 365 2HB ASP 50 2HB ASP 50 1.982 -12.546 -0.635 366 H MET 51 H MET 51 2.385 -9.853 -1.085 367 HA MET 51 HA MET 51 -0.370 -9.329 -1.231 368 1HB MET 51 1HB MET 51 2.059 -7.760 -0.222 369 2HB MET 51 2HB MET 51 0.430 -7.132 -0.068 370 1HG MET 51 1HG MET 51 1.304 -9.849 1.026 371 2HG MET 51 2HG MET 51 1.273 -8.382 1.983 372 1HE MET 51 1HE MET 51 -0.081 -11.281 1.965 373 2HE MET 51 2HE MET 51 -0.696 -10.438 3.407 374 3HE MET 51 3HE MET 51 -1.834 -11.168 2.250 375 H ILE 52 H ILE 52 2.518 -7.457 -2.427 376 HA ILE 52 HA ILE 52 1.174 -5.487 -3.748 377 HB ILE 52 HB ILE 52 3.199 -5.336 -5.173 378 1HG1 ILE 52 1HG1 ILE 52 5.096 -6.942 -4.304 379 2HG1 ILE 52 2HG1 ILE 52 3.758 -8.006 -3.917 380 1HG2 ILE 52 1HG2 ILE 52 3.481 -4.064 -3.305 381 2HG2 ILE 52 2HG2 ILE 52 3.238 -5.432 -2.193 382 3HG2 ILE 52 3HG2 ILE 52 4.788 -5.243 -3.045 383 1HD1 ILE 52 1HD1 ILE 52 3.624 -8.629 -6.086 384 2HD1 ILE 52 2HD1 ILE 52 3.273 -6.946 -6.548 385 3HD1 ILE 52 3HD1 ILE 52 4.957 -7.519 -6.486 386 H ASN 53 H ASN 53 2.041 -8.789 -4.940 387 HA ASN 53 HA ASN 53 1.048 -8.379 -7.494 388 1HB ASN 53 1HB ASN 53 2.538 -10.284 -6.843 389 2HB ASN 53 2HB ASN 53 1.258 -10.961 -5.856 390 1HD2 ASN 53 1HD2 ASN 53 2.214 -12.612 -7.611 391 2HD2 ASN 53 2HD2 ASN 53 1.191 -12.844 -8.990 392 H GLU 54 H GLU 54 -0.410 -9.301 -4.363 393 HA GLU 54 HA GLU 54 -2.814 -10.269 -5.446 394 1HB GLU 54 1HB GLU 54 -2.095 -10.938 -3.215 395 2HB GLU 54 2HB GLU 54 -2.069 -9.274 -2.664 396 1HG GLU 54 1HG GLU 54 -4.178 -9.742 -1.898 397 2HG GLU 54 2HG GLU 54 -4.655 -9.421 -3.554 398 H VAL 55 H VAL 55 -2.046 -7.198 -3.639 399 HA VAL 55 HA VAL 55 -4.478 -5.976 -4.046 400 HB VAL 55 HB VAL 55 -3.275 -3.897 -3.592 401 1HG1 VAL 55 1HG1 VAL 55 -2.367 -6.267 -1.924 402 2HG1 VAL 55 2HG1 VAL 55 -2.266 -4.563 -1.419 403 3HG1 VAL 55 3HG1 VAL 55 -3.854 -5.313 -1.709 404 1HG2 VAL 55 1HG2 VAL 55 -1.283 -3.961 -4.803 405 2HG2 VAL 55 2HG2 VAL 55 -0.733 -4.190 -3.126 406 3HG2 VAL 55 3HG2 VAL 55 -0.859 -5.588 -4.220 407 H ASP 56 H ASP 56 -1.470 -5.820 -6.067 408 HA ASP 56 HA ASP 56 -2.380 -4.068 -7.925 409 1HB ASP 56 1HB ASP 56 -0.063 -5.141 -7.707 410 2HB ASP 56 2HB ASP 56 -0.709 -6.552 -8.521 411 H ALA 57 H ALA 57 -4.389 -4.253 -8.959 412 HA ALA 57 HA ALA 57 -5.374 -6.892 -9.640 413 1HB ALA 57 1HB ALA 57 -6.838 -4.401 -10.396 414 2HB ALA 57 2HB ALA 57 -7.442 -5.903 -9.657 415 3HB ALA 57 3HB ALA 57 -6.601 -4.695 -8.657 416 H ASP 58 H ASP 58 -4.724 -3.727 -11.312 417 HA ASP 58 HA ASP 58 -5.253 -4.317 -13.809 418 1HB ASP 58 1HB ASP 58 -2.639 -3.197 -13.976 419 2HB ASP 58 2HB ASP 58 -4.168 -2.344 -14.046 420 H GLY 59 H GLY 59 -2.553 -5.608 -11.847 421 1HA GLY 59 1HA GLY 59 -1.498 -7.629 -12.199 422 2HA GLY 59 2HA GLY 59 -2.059 -7.659 -13.859 423 H ASP 60 H ASP 60 0.497 -6.672 -11.664 424 HA ASP 60 HA ASP 60 2.234 -6.326 -13.867 425 1HB ASP 60 1HB ASP 60 2.484 -3.942 -12.149 426 2HB ASP 60 2HB ASP 60 2.522 -4.057 -13.897 427 H GLY 61 H GLY 61 1.709 -5.387 -10.379 428 1HA GLY 61 1HA GLY 61 2.814 -6.867 -8.743 429 2HA GLY 61 2HA GLY 61 4.262 -6.734 -9.721 430 H THR 62 H THR 62 1.917 -4.081 -9.054 431 HA THR 62 HA THR 62 3.743 -2.897 -7.128 432 HB THR 62 HB THR 62 2.947 -1.434 -9.696 433 HG1 THR 62 HG1 THR 62 5.046 -2.092 -10.379 434 1HG2 THR 62 1HG2 THR 62 4.243 0.321 -8.919 435 2HG2 THR 62 2HG2 THR 62 3.849 -0.362 -7.323 436 3HG2 THR 62 3HG2 THR 62 5.394 -0.767 -8.108 437 H ILE 63 H ILE 63 2.792 -1.124 -5.928 438 HA ILE 63 HA ILE 63 -0.119 -1.403 -5.907 439 HB ILE 63 HB ILE 63 1.686 -0.256 -3.779 440 1HG1 ILE 63 1HG1 ILE 63 0.653 -3.091 -4.080 441 2HG1 ILE 63 2HG1 ILE 63 2.324 -2.576 -4.209 442 1HG2 ILE 63 1HG2 ILE 63 -1.238 -0.857 -3.984 443 2HG2 ILE 63 2HG2 ILE 63 -0.422 -1.052 -2.415 444 3HG2 ILE 63 3HG2 ILE 63 -0.400 0.525 -3.240 445 1HD1 ILE 63 1HD1 ILE 63 0.552 -2.631 -1.749 446 2HD1 ILE 63 2HD1 ILE 63 2.166 -3.344 -1.978 447 3HD1 ILE 63 3HD1 ILE 63 1.989 -1.582 -1.807 448 H ASP 64 H ASP 64 -1.252 0.740 -5.110 449 HA ASP 64 HA ASP 64 0.063 3.070 -6.141 450 1HB ASP 64 1HB ASP 64 -2.575 2.039 -7.289 451 2HB ASP 64 2HB ASP 64 -1.922 3.634 -7.605 452 H PHE 65 H PHE 65 -2.116 4.844 -6.154 453 HA PHE 65 HA PHE 65 -2.637 5.166 -3.430 454 1HB PHE 65 1HB PHE 65 -2.904 6.540 -5.912 455 2HB PHE 65 2HB PHE 65 -4.554 6.399 -5.339 456 HD1 PHE 65 HD1 PHE 65 -4.307 6.715 -2.457 457 HD2 PHE 65 HD2 PHE 65 -2.246 8.729 -5.572 458 HE1 PHE 65 HE1 PHE 65 -3.951 8.688 -0.946 459 HE2 PHE 65 HE2 PHE 65 -1.890 10.702 -4.062 460 HZ PHE 65 HZ PHE 65 -2.747 10.658 -1.767 461 HA PRO 66 HA PRO 66 -6.945 3.510 -4.502 462 1HB PRO 66 1HB PRO 66 -7.384 2.289 -6.907 463 2HB PRO 66 2HB PRO 66 -7.755 3.975 -6.607 464 1HG PRO 66 1HG PRO 66 -5.508 2.816 -8.139 465 2HG PRO 66 2HG PRO 66 -6.135 4.452 -8.178 466 1HD PRO 66 1HD PRO 66 -3.746 3.560 -6.864 467 2HD PRO 66 2HD PRO 66 -4.435 5.170 -6.806 468 H GLU 67 H GLU 67 -4.685 1.445 -6.271 469 HA GLU 67 HA GLU 67 -5.664 -0.938 -5.592 470 1HB GLU 67 1HB GLU 67 -2.826 0.059 -5.902 471 2HB GLU 67 2HB GLU 67 -3.101 -1.613 -5.453 472 1HG GLU 67 1HG GLU 67 -4.623 -1.860 -7.459 473 2HG GLU 67 2HG GLU 67 -4.230 -0.217 -7.926 474 H PHE 68 H PHE 68 -3.250 0.918 -3.596 475 HA PHE 68 HA PHE 68 -3.205 -0.866 -1.477 476 1HB PHE 68 1HB PHE 68 -1.846 1.345 -2.183 477 2HB PHE 68 2HB PHE 68 -3.040 2.174 -1.204 478 HD1 PHE 68 HD1 PHE 68 -1.805 2.921 0.628 479 HD2 PHE 68 HD2 PHE 68 -1.462 -1.134 -0.572 480 HE1 PHE 68 HE1 PHE 68 -0.461 2.425 2.689 481 HE2 PHE 68 HE2 PHE 68 -0.119 -1.631 1.488 482 HZ PHE 68 HZ PHE 68 0.366 0.155 3.095 483 H LEU 69 H LEU 69 -5.149 2.177 -1.905 484 HA LEU 69 HA LEU 69 -6.430 2.305 0.443 485 1HB LEU 69 1HB LEU 69 -7.326 3.954 -0.704 486 2HB LEU 69 2HB LEU 69 -6.848 3.225 -2.224 487 HG LEU 69 HG LEU 69 -8.965 1.802 -2.055 488 1HD1 LEU 69 1HD1 LEU 69 -9.758 1.907 0.093 489 2HD1 LEU 69 2HD1 LEU 69 -9.345 3.628 0.285 490 3HD1 LEU 69 3HD1 LEU 69 -10.761 3.155 -0.684 491 1HD2 LEU 69 1HD2 LEU 69 -8.617 4.596 -2.826 492 2HD2 LEU 69 2HD2 LEU 69 -9.409 3.254 -3.686 493 3HD2 LEU 69 3HD2 LEU 69 -10.310 4.184 -2.465 494 H THR 70 H THR 70 -7.114 -0.002 -2.233 495 HA THR 70 HA THR 70 -9.390 -1.126 -0.951 496 HB THR 70 HB THR 70 -7.547 -1.942 -3.248 497 HG1 THR 70 HG1 THR 70 -9.272 -0.086 -3.103 498 1HG2 THR 70 1HG2 THR 70 -9.028 -3.733 -3.789 499 2HG2 THR 70 2HG2 THR 70 -8.801 -3.917 -2.033 500 3HG2 THR 70 3HG2 THR 70 -10.279 -3.151 -2.664 501 H MET 71 H MET 71 -5.900 -2.025 -1.125 502 HA MET 71 HA MET 71 -6.058 -4.437 0.093 503 1HB MET 71 1HB MET 71 -3.979 -3.419 -0.847 504 2HB MET 71 2HB MET 71 -3.964 -2.217 0.428 505 1HG MET 71 1HG MET 71 -4.121 -4.824 1.670 506 2HG MET 71 2HG MET 71 -2.842 -4.873 0.473 507 1HE MET 71 1HE MET 71 -0.013 -3.501 2.337 508 2HE MET 71 2HE MET 71 -0.820 -5.072 2.114 509 3HE MET 71 3HE MET 71 -0.624 -3.968 0.732 510 H MET 72 H MET 72 -5.408 -1.269 1.773 511 HA MET 72 HA MET 72 -5.416 -2.224 4.309 512 1HB MET 72 1HB MET 72 -5.187 0.233 3.126 513 2HB MET 72 2HB MET 72 -6.805 0.406 3.777 514 1HG MET 72 1HG MET 72 -5.218 -0.768 5.858 515 2HG MET 72 2HG MET 72 -4.262 0.536 5.181 516 1HE MET 72 1HE MET 72 -4.933 2.525 7.696 517 2HE MET 72 2HE MET 72 -6.012 1.362 8.503 518 3HE MET 72 3HE MET 72 -4.552 0.787 7.663 519 H ALA 73 H ALA 73 -8.264 -0.793 2.545 520 HA ALA 73 HA ALA 73 -10.164 -1.096 4.451 521 1HB ALA 73 1HB ALA 73 -10.763 0.001 2.455 522 2HB ALA 73 2HB ALA 73 -10.204 -1.347 1.435 523 3HB ALA 73 3HB ALA 73 -11.698 -1.513 2.389 524 H ARG 74 H ARG 74 -9.204 -3.585 1.979 525 HA ARG 74 HA ARG 74 -10.899 -5.522 2.944 526 1HB ARG 74 1HB ARG 74 -8.191 -5.860 1.555 527 2HB ARG 74 2HB ARG 74 -9.401 -7.119 1.698 528 1HG ARG 74 1HG ARG 74 -10.774 -4.856 0.638 529 2HG ARG 74 2HG ARG 74 -9.252 -4.931 -0.227 530 1HD ARG 74 1HD ARG 74 -9.894 -6.785 -1.389 531 2HD ARG 74 2HD ARG 74 -10.411 -7.611 0.067 532 HE ARG 74 HE ARG 74 -12.431 -5.792 -0.274 533 1HH1 ARG 74 2HH2 ARG 74 -10.907 -8.057 -2.494 534 2HH1 ARG 74 1HH2 ARG 74 -12.330 -8.265 -3.460 535 1HH2 ARG 74 2HH1 ARG 74 -14.308 -6.066 -1.547 536 2HH2 ARG 74 1HH1 ARG 74 -14.278 -7.125 -2.918 537 H LYS 75 H LYS 75 -7.540 -4.597 3.835 538 HA LYS 75 HA LYS 75 -6.666 -6.695 5.258 539 1HB LYS 75 1HB LYS 75 -5.994 -4.007 4.998 540 2HB LYS 75 2HB LYS 75 -6.257 -4.196 6.720 541 1HG LYS 75 1HG LYS 75 -4.627 -6.274 5.236 542 2HG LYS 75 2HG LYS 75 -3.882 -4.746 5.659 543 1HD LYS 75 1HD LYS 75 -3.405 -5.829 7.629 544 2HD LYS 75 2HD LYS 75 -5.030 -5.332 8.058 545 1HE LYS 75 1HE LYS 75 -5.948 -7.501 7.373 546 2HE LYS 75 2HE LYS 75 -4.406 -7.997 6.703 547 1HZ LYS 75 1HZ LYS 75 -3.517 -7.687 9.002 548 2HZ LYS 75 2HZ LYS 75 -5.059 -7.557 9.524 549 3HZ LYS 75 3HZ LYS 75 -4.550 -8.937 8.813 550 H MET 76 H MET 76 -8.756 -4.060 6.642 551 HA MET 76 HA MET 76 -9.095 -5.249 9.083 552 1HB MET 76 1HB MET 76 -10.650 -3.286 7.377 553 2HB MET 76 2HB MET 76 -11.435 -3.894 8.821 554 1HG MET 76 1HG MET 76 -9.226 -3.243 10.068 555 2HG MET 76 2HG MET 76 -8.837 -2.319 8.631 556 1HE MET 76 1HE MET 76 -11.972 -1.828 11.758 557 2HE MET 76 2HE MET 76 -10.547 -2.887 11.632 558 3HE MET 76 3HE MET 76 -10.352 -1.186 12.116 559 H LYS 77 H LYS 77 -11.046 -5.595 6.057 560 HA LYS 77 HA LYS 77 -13.091 -7.125 7.118 561 1HB LYS 77 1HB LYS 77 -12.469 -6.078 4.670 562 2HB LYS 77 2HB LYS 77 -12.232 -7.787 4.368 563 1HG LYS 77 1HG LYS 77 -14.475 -8.331 4.854 564 2HG LYS 77 2HG LYS 77 -14.713 -6.917 5.860 565 1HD LYS 77 1HD LYS 77 -14.194 -6.663 2.871 566 2HD LYS 77 2HD LYS 77 -15.810 -6.924 3.496 567 1HE LYS 77 1HE LYS 77 -15.513 -4.876 4.971 568 2HE LYS 77 2HE LYS 77 -13.966 -4.591 4.198 569 1HZ LYS 77 1HZ LYS 77 -16.269 -4.956 2.480 570 2HZ LYS 77 2HZ LYS 77 -16.152 -3.544 3.293 571 3HZ LYS 77 3HZ LYS 77 -14.960 -4.001 2.274 572 H ASP 78 H ASP 78 -10.051 -8.240 5.462 573 HA ASP 78 HA ASP 78 -10.464 -10.897 5.784 574 1HB ASP 78 1HB ASP 78 -8.606 -10.143 4.466 575 2HB ASP 78 2HB ASP 78 -7.944 -9.199 5.785 576 H THR 79 H THR 79 -8.427 -8.720 7.898 577 HA THR 79 HA THR 79 -8.046 -10.615 9.928 578 HB THR 79 HB THR 79 -6.837 -8.340 9.318 579 HG1 THR 79 HG1 THR 79 -6.038 -9.427 11.114 580 1HG2 THR 79 1HG2 THR 79 -9.298 -7.304 10.288 581 2HG2 THR 79 2HG2 THR 79 -8.154 -7.120 11.639 582 3HG2 THR 79 3HG2 THR 79 -7.786 -6.393 10.056 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -19.625 4.145 -1.666 2 HA ALA 1 HA ALA 1 -18.607 3.098 0.065 3 1HB ALA 1 1HB ALA 1 -16.137 2.653 0.023 4 2HB ALA 1 2HB ALA 1 -17.010 1.941 -1.356 5 3HB ALA 1 3HB ALA 1 -16.065 3.434 -1.575 6 H ASP 2 H ASP 2 -19.205 5.964 -0.529 7 HA ASP 2 HA ASP 2 -17.168 7.550 0.496 8 1HB ASP 2 1HB ASP 2 -19.845 7.864 -0.471 9 2HB ASP 2 2HB ASP 2 -19.807 8.617 1.111 10 H GLN 3 H GLN 3 -19.121 5.165 1.955 11 HA GLN 3 HA GLN 3 -19.643 6.438 4.411 12 1HB GLN 3 1HB GLN 3 -20.523 4.143 3.173 13 2HB GLN 3 2HB GLN 3 -19.440 3.467 4.373 14 1HG GLN 3 1HG GLN 3 -21.215 5.627 5.402 15 2HG GLN 3 2HG GLN 3 -22.065 4.197 4.853 16 1HE2 GLN 3 1HE2 GLN 3 -19.751 5.513 7.097 17 2HE2 GLN 3 2HE2 GLN 3 -19.701 4.191 8.215 18 H LEU 4 H LEU 4 -16.922 4.634 3.016 19 HA LEU 4 HA LEU 4 -15.494 5.038 5.547 20 1HB LEU 4 1HB LEU 4 -15.875 2.751 5.577 21 2HB LEU 4 2HB LEU 4 -15.692 2.583 3.842 22 HG LEU 4 HG LEU 4 -13.847 1.617 5.278 23 1HD1 LEU 4 1HD1 LEU 4 -12.242 1.962 3.647 24 2HD1 LEU 4 2HD1 LEU 4 -13.750 2.348 2.785 25 3HD1 LEU 4 3HD1 LEU 4 -12.710 3.660 3.391 26 1HD2 LEU 4 1HD2 LEU 4 -13.880 3.827 6.717 27 2HD2 LEU 4 2HD2 LEU 4 -12.380 2.900 6.478 28 3HD2 LEU 4 3HD2 LEU 4 -12.686 4.363 5.511 29 H THR 5 H THR 5 -15.005 4.179 2.045 30 HA THR 5 HA THR 5 -12.462 5.015 1.717 31 HB THR 5 HB THR 5 -14.388 4.095 0.084 32 HG1 THR 5 HG1 THR 5 -12.723 4.422 -1.430 33 1HG2 THR 5 1HG2 THR 5 -15.318 5.684 -1.379 34 2HG2 THR 5 2HG2 THR 5 -15.370 6.596 0.149 35 3HG2 THR 5 3HG2 THR 5 -14.060 6.892 -1.020 36 H GLU 6 H GLU 6 -15.316 7.084 2.212 37 HA GLU 6 HA GLU 6 -14.189 9.445 1.358 38 1HB GLU 6 1HB GLU 6 -16.600 9.107 1.903 39 2HB GLU 6 2HB GLU 6 -16.204 9.002 3.606 40 1HG GLU 6 1HG GLU 6 -15.488 11.300 3.696 41 2HG GLU 6 2HG GLU 6 -15.411 11.429 1.950 42 H GLU 7 H GLU 7 -14.414 8.129 4.747 43 HA GLU 7 HA GLU 7 -12.737 10.144 5.752 44 1HB GLU 7 1HB GLU 7 -12.740 8.725 7.829 45 2HB GLU 7 2HB GLU 7 -14.345 9.069 7.215 46 1HG GLU 7 1HG GLU 7 -14.700 6.873 6.487 47 2HG GLU 7 2HG GLU 7 -12.995 6.566 6.222 48 H GLN 8 H GLN 8 -12.224 6.974 4.275 49 HA GLN 8 HA GLN 8 -9.657 6.566 5.330 50 1HB GLN 8 1HB GLN 8 -11.276 4.861 4.236 51 2HB GLN 8 2HB GLN 8 -10.688 5.452 2.695 52 1HG GLN 8 1HG GLN 8 -9.365 3.501 3.320 53 2HG GLN 8 2HG GLN 8 -8.334 4.915 3.412 54 1HE2 GLN 8 1HE2 GLN 8 -6.952 3.838 4.824 55 2HE2 GLN 8 2HE2 GLN 8 -7.316 3.608 6.502 56 H ILE 9 H ILE 9 -10.811 7.663 2.055 57 HA ILE 9 HA ILE 9 -8.366 8.156 0.938 58 HB ILE 9 HB ILE 9 -11.057 9.452 0.589 59 1HG1 ILE 9 1HG1 ILE 9 -10.788 7.073 -0.048 60 2HG1 ILE 9 2HG1 ILE 9 -11.190 8.113 -1.400 61 1HG2 ILE 9 1HG2 ILE 9 -8.499 10.027 -0.918 62 2HG2 ILE 9 2HG2 ILE 9 -10.122 10.384 -1.556 63 3HG2 ILE 9 3HG2 ILE 9 -9.557 11.176 -0.064 64 1HD1 ILE 9 1HD1 ILE 9 -9.437 6.713 -2.210 65 2HD1 ILE 9 2HD1 ILE 9 -8.639 8.262 -1.847 66 3HD1 ILE 9 3HD1 ILE 9 -8.489 6.897 -0.715 67 H ALA 10 H ALA 10 -10.259 10.153 3.240 68 HA ALA 10 HA ALA 10 -8.893 12.514 3.062 69 1HB ALA 10 1HB ALA 10 -10.095 11.056 5.445 70 2HB ALA 10 2HB ALA 10 -9.532 12.743 5.507 71 3HB ALA 10 3HB ALA 10 -10.867 12.290 4.421 72 H GLU 11 H GLU 11 -8.140 9.734 5.288 73 HA GLU 11 HA GLU 11 -5.713 10.913 6.072 74 1HB GLU 11 1HB GLU 11 -6.972 8.180 6.426 75 2HB GLU 11 2HB GLU 11 -5.322 8.461 6.946 76 1HG GLU 11 1HG GLU 11 -6.134 10.426 8.320 77 2HG GLU 11 2HG GLU 11 -7.778 10.031 7.860 78 H PHE 12 H PHE 12 -6.616 8.259 3.782 79 HA PHE 12 HA PHE 12 -4.142 7.364 3.102 80 1HB PHE 12 1HB PHE 12 -6.875 7.450 2.077 81 2HB PHE 12 2HB PHE 12 -5.790 7.709 0.726 82 HD1 PHE 12 HD1 PHE 12 -6.359 5.397 3.590 83 HD2 PHE 12 HD2 PHE 12 -4.812 5.885 -0.332 84 HE1 PHE 12 HE1 PHE 12 -5.949 2.925 3.444 85 HE2 PHE 12 HE2 PHE 12 -4.402 3.413 -0.477 86 HZ PHE 12 HZ PHE 12 -4.975 1.962 1.412 87 H LYS 13 H LYS 13 -5.822 10.342 1.982 88 HA LYS 13 HA LYS 13 -4.233 11.019 -0.132 89 1HB LYS 13 1HB LYS 13 -6.336 12.146 1.037 90 2HB LYS 13 2HB LYS 13 -5.109 13.153 1.777 91 1HG LYS 13 1HG LYS 13 -5.279 14.393 -0.139 92 2HG LYS 13 2HG LYS 13 -4.234 13.166 -0.828 93 1HD LYS 13 1HD LYS 13 -6.553 11.886 -1.245 94 2HD LYS 13 2HD LYS 13 -7.221 13.503 -1.131 95 1HE LYS 13 1HE LYS 13 -4.815 13.029 -2.910 96 2HE LYS 13 2HE LYS 13 -6.401 12.547 -3.478 97 1HZ LYS 13 1HZ LYS 13 -6.294 15.171 -2.334 98 2HZ LYS 13 2HZ LYS 13 -5.421 14.997 -3.704 99 3HZ LYS 13 3HZ LYS 13 -7.019 14.660 -3.706 100 H GLU 14 H GLU 14 -3.740 12.062 3.319 101 HA GLU 14 HA GLU 14 -1.189 13.075 2.718 102 1HB GLU 14 1HB GLU 14 -2.876 13.621 4.682 103 2HB GLU 14 2HB GLU 14 -2.061 12.311 5.513 104 1HG GLU 14 1HG GLU 14 0.160 13.519 4.893 105 2HG GLU 14 2HG GLU 14 -0.838 14.895 4.466 106 H ALA 15 H ALA 15 -2.451 9.998 4.085 107 HA ALA 15 HA ALA 15 -0.105 8.906 5.005 108 1HB ALA 15 1HB ALA 15 -1.659 6.864 3.738 109 2HB ALA 15 2HB ALA 15 -1.600 7.297 5.463 110 3HB ALA 15 3HB ALA 15 -2.784 8.079 4.389 111 H PHE 16 H PHE 16 -1.573 8.537 1.695 112 HA PHE 16 HA PHE 16 0.172 7.017 0.442 113 1HB PHE 16 1HB PHE 16 -1.578 8.060 -0.830 114 2HB PHE 16 2HB PHE 16 -1.176 9.660 -0.238 115 HD1 PHE 16 HD1 PHE 16 -0.222 7.029 -2.629 116 HD2 PHE 16 HD2 PHE 16 0.437 11.025 -1.362 117 HE1 PHE 16 HE1 PHE 16 1.065 7.484 -4.735 118 HE2 PHE 16 HE2 PHE 16 1.724 11.480 -3.469 119 HZ PHE 16 HZ PHE 16 2.023 9.704 -5.130 120 H SER 17 H SER 17 0.735 10.569 0.982 121 HA SER 17 HA SER 17 3.029 10.935 -0.261 122 1HB SER 17 1HB SER 17 1.726 12.521 1.305 123 2HB SER 17 2HB SER 17 2.670 11.851 2.619 124 HG SER 17 HG SER 17 4.554 12.431 0.963 125 H LEU 18 H LEU 18 2.668 9.383 2.996 126 HA LEU 18 HA LEU 18 5.454 8.936 3.288 127 1HB LEU 18 1HB LEU 18 2.964 8.095 4.718 128 2HB LEU 18 2HB LEU 18 4.474 7.277 5.069 129 HG LEU 18 HG LEU 18 4.009 10.262 5.317 130 1HD1 LEU 18 1HD1 LEU 18 2.727 8.942 6.961 131 2HD1 LEU 18 2HD1 LEU 18 4.239 8.171 7.499 132 3HD1 LEU 18 3HD1 LEU 18 4.007 9.923 7.716 133 1HD2 LEU 18 1HD2 LEU 18 6.192 10.111 6.633 134 2HD2 LEU 18 2HD2 LEU 18 6.415 8.523 5.860 135 3HD2 LEU 18 3HD2 LEU 18 6.296 9.990 4.860 136 H PHE 19 H PHE 19 2.669 6.680 2.661 137 HA PHE 19 HA PHE 19 4.009 4.396 2.261 138 1HB PHE 19 1HB PHE 19 1.749 5.682 0.616 139 2HB PHE 19 2HB PHE 19 2.136 3.975 0.522 140 HD1 PHE 19 HD1 PHE 19 -0.487 5.405 1.399 141 HD2 PHE 19 HD2 PHE 19 2.738 3.671 3.542 142 HE1 PHE 19 HE1 PHE 19 -2.018 4.950 3.335 143 HE2 PHE 19 HE2 PHE 19 1.207 3.216 5.479 144 HZ PHE 19 HZ PHE 19 -1.153 3.862 5.352 145 H ASP 20 H ASP 20 3.650 7.091 -0.117 146 HA ASP 20 HA ASP 20 5.111 5.615 -2.070 147 1HB ASP 20 1HB ASP 20 3.239 7.451 -2.384 148 2HB ASP 20 2HB ASP 20 4.545 8.598 -2.164 149 H LYS 21 H LYS 21 7.292 5.330 -1.418 150 HA LYS 21 HA LYS 21 8.703 7.339 -0.003 151 1HB LYS 21 1HB LYS 21 9.844 4.950 -1.472 152 2HB LYS 21 2HB LYS 21 10.576 5.840 -0.153 153 1HG LYS 21 1HG LYS 21 7.916 4.359 0.088 154 2HG LYS 21 2HG LYS 21 9.459 3.649 0.520 155 1HD LYS 21 1HD LYS 21 9.760 5.067 2.373 156 2HD LYS 21 2HD LYS 21 8.748 6.333 1.706 157 1HE LYS 21 1HE LYS 21 6.751 4.729 1.992 158 2HE LYS 21 2HE LYS 21 7.824 3.681 2.898 159 1HZ LYS 21 1HZ LYS 21 7.032 4.965 4.550 160 2HZ LYS 21 2HZ LYS 21 8.292 5.919 4.138 161 3HZ LYS 21 3HZ LYS 21 6.788 6.282 3.615 162 H ASP 22 H ASP 22 9.141 5.994 -3.356 163 HA ASP 22 HA ASP 22 10.991 7.662 -4.257 164 1HB ASP 22 1HB ASP 22 10.189 6.014 -5.762 165 2HB ASP 22 2HB ASP 22 8.519 6.505 -5.564 166 H GLY 23 H GLY 23 7.498 8.253 -5.109 167 1HA GLY 23 1HA GLY 23 6.414 10.294 -4.374 168 2HA GLY 23 2HA GLY 23 7.934 11.135 -4.603 169 H ASP 24 H ASP 24 6.435 8.633 -6.742 170 HA ASP 24 HA ASP 24 6.423 10.678 -8.815 171 1HB ASP 24 1HB ASP 24 6.459 8.704 -10.403 172 2HB ASP 24 2HB ASP 24 7.895 8.855 -9.410 173 H GLY 25 H GLY 25 4.631 8.155 -7.043 174 1HA GLY 25 1HA GLY 25 2.219 8.700 -6.843 175 2HA GLY 25 2HA GLY 25 2.195 8.808 -8.592 176 H THR 26 H THR 26 4.054 6.430 -6.615 177 HA THR 26 HA THR 26 2.144 4.340 -7.072 178 HB THR 26 HB THR 26 3.867 3.006 -8.457 179 HG1 THR 26 HG1 THR 26 4.887 5.733 -8.306 180 1HG2 THR 26 1HG2 THR 26 3.072 5.595 -9.860 181 2HG2 THR 26 2HG2 THR 26 3.223 3.966 -10.562 182 3HG2 THR 26 3HG2 THR 26 1.865 4.344 -9.476 183 H ILE 27 H ILE 27 2.300 2.800 -5.528 184 HA ILE 27 HA ILE 27 4.512 3.144 -3.665 185 HB ILE 27 HB ILE 27 1.773 1.932 -3.509 186 1HG1 ILE 27 1HG1 ILE 27 1.774 3.453 -1.438 187 2HG1 ILE 27 2HG1 ILE 27 3.243 4.155 -2.087 188 1HG2 ILE 27 1HG2 ILE 27 2.571 1.432 -1.046 189 2HG2 ILE 27 2HG2 ILE 27 2.808 0.248 -2.354 190 3HG2 ILE 27 3HG2 ILE 27 4.161 1.280 -1.832 191 1HD1 ILE 27 1HD1 ILE 27 1.149 5.388 -2.765 192 2HD1 ILE 27 2HD1 ILE 27 2.108 4.811 -4.149 193 3HD1 ILE 27 3HD1 ILE 27 0.637 3.936 -3.660 194 H THR 28 H THR 28 6.087 2.191 -5.190 195 HA THR 28 HA THR 28 5.916 -0.289 -6.328 196 HB THR 28 HB THR 28 8.259 1.232 -5.077 197 HG1 THR 28 HG1 THR 28 7.354 0.721 -7.818 198 1HG2 THR 28 1HG2 THR 28 9.180 -0.954 -5.393 199 2HG2 THR 28 2HG2 THR 28 8.151 -1.271 -6.812 200 3HG2 THR 28 3HG2 THR 28 9.514 -0.133 -6.936 201 H THR 29 H THR 29 6.719 -2.404 -5.756 202 HA THR 29 HA THR 29 5.657 -3.394 -3.432 203 HB THR 29 HB THR 29 6.921 -5.417 -4.026 204 HG1 THR 29 HG1 THR 29 8.653 -4.970 -5.731 205 1HG2 THR 29 1HG2 THR 29 6.083 -5.719 -6.165 206 2HG2 THR 29 2HG2 THR 29 5.288 -4.157 -5.852 207 3HG2 THR 29 3HG2 THR 29 6.816 -4.212 -6.764 208 H LYS 30 H LYS 30 9.102 -2.441 -4.017 209 HA LYS 30 HA LYS 30 9.928 -3.085 -1.420 210 1HB LYS 30 1HB LYS 30 11.965 -2.020 -1.995 211 2HB LYS 30 2HB LYS 30 11.373 -2.781 -3.458 212 1HG LYS 30 1HG LYS 30 10.193 -0.355 -3.765 213 2HG LYS 30 2HG LYS 30 11.549 0.140 -2.771 214 1HD LYS 30 1HD LYS 30 13.092 -1.078 -4.400 215 2HD LYS 30 2HD LYS 30 11.700 -1.357 -5.428 216 1HE LYS 30 1HE LYS 30 12.553 0.624 -6.349 217 2HE LYS 30 2HE LYS 30 11.345 1.256 -5.248 218 1HZ LYS 30 1HZ LYS 30 14.113 1.630 -5.190 219 2HZ LYS 30 2HZ LYS 30 12.969 2.345 -4.270 220 3HZ LYS 30 3HZ LYS 30 13.647 0.941 -3.784 221 H GLU 31 H GLU 31 8.470 -0.160 -2.884 222 HA GLU 31 HA GLU 31 8.993 1.509 -0.720 223 1HB GLU 31 1HB GLU 31 6.882 1.574 -2.911 224 2HB GLU 31 2HB GLU 31 7.032 2.853 -1.723 225 1HG GLU 31 1HG GLU 31 9.376 3.265 -2.407 226 2HG GLU 31 2HG GLU 31 9.314 1.918 -3.527 227 H LEU 32 H LEU 32 6.620 -1.032 -1.282 228 HA LEU 32 HA LEU 32 4.730 -0.128 0.629 229 1HB LEU 32 1HB LEU 32 4.004 -1.543 -1.122 230 2HB LEU 32 2HB LEU 32 5.228 -2.746 -0.771 231 HG LEU 32 HG LEU 32 2.843 -3.291 -0.093 232 1HD1 LEU 32 1HD1 LEU 32 3.975 -3.768 2.431 233 2HD1 LEU 32 2HD1 LEU 32 3.961 -4.851 1.019 234 3HD1 LEU 32 3HD1 LEU 32 5.337 -3.753 1.285 235 1HD2 LEU 32 1HD2 LEU 32 2.096 -1.221 0.818 236 2HD2 LEU 32 2HD2 LEU 32 2.155 -2.397 2.153 237 3HD2 LEU 32 3HD2 LEU 32 3.438 -1.175 1.987 238 H GLY 33 H GLY 33 7.535 -2.395 0.670 239 1HA GLY 33 1HA GLY 33 7.132 -3.209 3.370 240 2HA GLY 33 2HA GLY 33 8.560 -3.449 2.382 241 H THR 34 H THR 34 8.457 -0.344 1.835 242 HA THR 34 HA THR 34 10.349 0.327 3.827 243 HB THR 34 HB THR 34 8.794 2.059 1.833 244 HG1 THR 34 HG1 THR 34 10.629 1.464 0.505 245 1HG2 THR 34 1HG2 THR 34 11.516 2.416 3.195 246 2HG2 THR 34 2HG2 THR 34 10.874 3.455 1.900 247 3HG2 THR 34 3HG2 THR 34 10.075 3.418 3.490 248 H VAL 35 H VAL 35 7.020 1.646 3.217 249 HA VAL 35 HA VAL 35 6.920 3.161 5.520 250 HB VAL 35 HB VAL 35 5.397 3.118 3.482 251 1HG1 VAL 35 1HG1 VAL 35 3.381 1.742 3.617 252 2HG1 VAL 35 2HG1 VAL 35 4.835 0.717 3.566 253 3HG1 VAL 35 3HG1 VAL 35 3.982 0.976 5.107 254 1HG2 VAL 35 1HG2 VAL 35 4.957 3.926 6.173 255 2HG2 VAL 35 2HG2 VAL 35 4.256 4.607 4.685 256 3HG2 VAL 35 3HG2 VAL 35 3.413 3.299 5.548 257 H MET 36 H MET 36 5.760 -0.232 4.951 258 HA MET 36 HA MET 36 4.710 -0.748 7.359 259 1HB MET 36 1HB MET 36 6.496 -2.506 5.591 260 2HB MET 36 2HB MET 36 5.564 -3.151 6.927 261 1HG MET 36 1HG MET 36 4.221 -1.505 4.749 262 2HG MET 36 2HG MET 36 4.511 -3.219 4.526 263 1HE MET 36 1HE MET 36 1.352 -2.394 4.511 264 2HE MET 36 2HE MET 36 0.852 -1.647 6.048 265 3HE MET 36 3HE MET 36 2.142 -0.902 5.073 266 H ARG 37 H ARG 37 8.217 -1.001 6.468 267 HA ARG 37 HA ARG 37 9.070 -1.965 8.885 268 1HB ARG 37 1HB ARG 37 10.325 -0.444 6.609 269 2HB ARG 37 2HB ARG 37 11.243 -0.522 8.099 270 1HG ARG 37 1HG ARG 37 11.671 -2.771 7.882 271 2HG ARG 37 2HG ARG 37 10.064 -3.125 7.277 272 1HD ARG 37 1HD ARG 37 10.780 -3.080 5.116 273 2HD ARG 37 2HD ARG 37 11.527 -1.508 5.329 274 HE ARG 37 HE ARG 37 13.254 -3.269 6.637 275 1HH1 ARG 37 2HH2 ARG 37 11.953 -3.004 3.378 276 2HH1 ARG 37 1HH2 ARG 37 13.330 -3.741 2.631 277 1HH2 ARG 37 2HH1 ARG 37 15.072 -4.242 5.651 278 2HH2 ARG 37 1HH1 ARG 37 15.116 -4.450 3.932 279 H SER 38 H SER 38 8.755 1.445 7.686 280 HA SER 38 HA SER 38 9.829 2.662 9.905 281 1HB SER 38 1HB SER 38 9.137 3.629 7.581 282 2HB SER 38 2HB SER 38 7.548 3.847 8.287 283 HG SER 38 HG SER 38 9.075 4.894 10.117 284 H LEU 39 H LEU 39 6.837 0.939 9.484 285 HA LEU 39 HA LEU 39 5.541 2.306 11.691 286 1HB LEU 39 1HB LEU 39 4.687 0.126 9.792 287 2HB LEU 39 2HB LEU 39 3.719 0.624 11.165 288 HG LEU 39 HG LEU 39 4.600 2.506 8.962 289 1HD1 LEU 39 1HD1 LEU 39 1.924 2.216 8.592 290 2HD1 LEU 39 2HD1 LEU 39 3.173 1.335 7.680 291 3HD1 LEU 39 3HD1 LEU 39 2.380 0.564 9.075 292 1HD2 LEU 39 1HD2 LEU 39 3.735 3.134 11.469 293 2HD2 LEU 39 2HD2 LEU 39 3.534 4.164 10.032 294 3HD2 LEU 39 3HD2 LEU 39 2.203 3.109 10.564 295 H GLY 40 H GLY 40 8.076 1.040 12.261 296 1HA GLY 40 1HA GLY 40 8.843 -0.091 14.081 297 2HA GLY 40 2HA GLY 40 7.219 -0.639 14.443 298 H GLN 41 H GLN 41 6.408 -1.981 12.149 299 HA GLN 41 HA GLN 41 7.483 -4.435 12.473 300 1HB GLN 41 1HB GLN 41 6.301 -3.350 9.878 301 2HB GLN 41 2HB GLN 41 6.377 -5.036 10.351 302 1HG GLN 41 1HG GLN 41 5.031 -4.327 12.467 303 2HG GLN 41 2HG GLN 41 4.733 -2.816 11.631 304 1HE2 GLN 41 1HE2 GLN 41 3.906 -6.099 11.974 305 2HE2 GLN 41 2HE2 GLN 41 2.707 -6.224 10.730 306 H ASN 42 H ASN 42 8.449 -5.705 10.333 307 HA ASN 42 HA ASN 42 10.376 -4.187 8.936 308 1HB ASN 42 1HB ASN 42 11.267 -4.826 11.428 309 2HB ASN 42 2HB ASN 42 11.655 -6.336 10.627 310 1HD2 ASN 42 1HD2 ASN 42 11.991 -2.819 10.368 311 2HD2 ASN 42 2HD2 ASN 42 13.530 -2.794 9.574 312 HA PRO 43 HA PRO 43 8.986 -8.348 7.432 313 1HB PRO 43 1HB PRO 43 7.276 -7.578 5.444 314 2HB PRO 43 2HB PRO 43 6.740 -8.015 7.054 315 1HG PRO 43 1HG PRO 43 6.955 -5.329 5.839 316 2HG PRO 43 2HG PRO 43 6.044 -5.825 7.251 317 1HD PRO 43 1HD PRO 43 8.535 -4.403 7.229 318 2HD PRO 43 2HD PRO 43 7.682 -5.000 8.638 319 H THR 44 H THR 44 9.039 -9.268 5.069 320 HA THR 44 HA THR 44 11.382 -7.942 3.882 321 HB THR 44 HB THR 44 11.558 -10.356 2.835 322 HG1 THR 44 HG1 THR 44 10.373 -11.863 4.283 323 1HG2 THR 44 1HG2 THR 44 12.217 -11.292 5.257 324 2HG2 THR 44 2HG2 THR 44 13.212 -10.035 4.484 325 3HG2 THR 44 3HG2 THR 44 12.021 -9.586 5.728 326 H GLU 45 H GLU 45 11.536 -7.695 1.597 327 HA GLU 45 HA GLU 45 9.160 -6.797 0.487 328 1HB GLU 45 1HB GLU 45 10.485 -6.451 -1.557 329 2HB GLU 45 2HB GLU 45 11.398 -5.947 -0.149 330 1HG GLU 45 1HG GLU 45 11.813 -8.801 -0.798 331 2HG GLU 45 2HG GLU 45 12.267 -7.743 -2.119 332 H ALA 46 H ALA 46 10.569 -9.978 0.708 333 HA ALA 46 HA ALA 46 9.409 -11.069 -1.636 334 1HB ALA 46 1HB ALA 46 11.197 -11.856 0.416 335 2HB ALA 46 2HB ALA 46 9.834 -12.999 0.483 336 3HB ALA 46 3HB ALA 46 10.737 -12.778 -1.035 337 H GLU 47 H GLU 47 8.559 -11.381 1.891 338 HA GLU 47 HA GLU 47 6.250 -12.753 1.544 339 1HB GLU 47 1HB GLU 47 7.305 -10.878 3.635 340 2HB GLU 47 2HB GLU 47 5.601 -11.278 3.726 341 1HG GLU 47 1HG GLU 47 7.247 -13.664 3.205 342 2HG GLU 47 2HG GLU 47 7.744 -12.847 4.673 343 H LEU 48 H LEU 48 6.774 -9.178 1.461 344 HA LEU 48 HA LEU 48 4.021 -8.596 1.105 345 1HB LEU 48 1HB LEU 48 6.588 -7.057 0.882 346 2HB LEU 48 2HB LEU 48 5.080 -6.351 0.335 347 HG LEU 48 HG LEU 48 5.602 -5.623 2.588 348 1HD1 LEU 48 1HD1 LEU 48 3.372 -7.402 3.286 349 2HD1 LEU 48 2HD1 LEU 48 3.457 -5.625 3.225 350 3HD1 LEU 48 3HD1 LEU 48 3.172 -6.555 1.734 351 1HD2 LEU 48 1HD2 LEU 48 5.548 -7.280 4.477 352 2HD2 LEU 48 2HD2 LEU 48 5.658 -8.573 3.259 353 3HD2 LEU 48 3HD2 LEU 48 6.973 -7.384 3.417 354 H GLN 49 H GLN 49 6.615 -9.703 -0.968 355 HA GLN 49 HA GLN 49 5.874 -8.624 -3.359 356 1HB GLN 49 1HB GLN 49 7.884 -10.150 -2.725 357 2HB GLN 49 2HB GLN 49 6.817 -11.498 -3.067 358 1HG GLN 49 1HG GLN 49 6.532 -10.822 -5.371 359 2HG GLN 49 2HG GLN 49 7.238 -9.246 -5.075 360 1HE2 GLN 49 1HE2 GLN 49 7.771 -12.268 -6.274 361 2HE2 GLN 49 2HE2 GLN 49 9.501 -12.341 -6.242 362 H ASP 50 H ASP 50 4.477 -11.379 -1.542 363 HA ASP 50 HA ASP 50 2.887 -12.280 -3.662 364 1HB ASP 50 1HB ASP 50 3.404 -13.723 -1.755 365 2HB ASP 50 2HB ASP 50 2.679 -12.587 -0.634 366 H MET 51 H MET 51 2.614 -9.800 -1.115 367 HA MET 51 HA MET 51 -0.173 -9.504 -1.275 368 1HB MET 51 1HB MET 51 2.067 -7.627 -0.338 369 2HB MET 51 2HB MET 51 0.365 -7.303 -0.073 370 1HG MET 51 1HG MET 51 1.913 -9.721 0.979 371 2HG MET 51 2HG MET 51 1.364 -8.357 1.933 372 1HE MET 51 1HE MET 51 -1.308 -7.738 2.202 373 2HE MET 51 2HE MET 51 -2.074 -9.169 2.934 374 3HE MET 51 3HE MET 51 -0.428 -8.693 3.419 375 H ILE 52 H ILE 52 2.549 -7.406 -2.485 376 HA ILE 52 HA ILE 52 1.062 -5.570 -3.832 377 HB ILE 52 HB ILE 52 3.069 -5.315 -5.288 378 1HG1 ILE 52 1HG1 ILE 52 5.083 -6.727 -4.357 379 2HG1 ILE 52 2HG1 ILE 52 3.835 -7.875 -3.916 380 1HG2 ILE 52 1HG2 ILE 52 4.492 -5.331 -2.837 381 2HG2 ILE 52 2HG2 ILE 52 3.687 -3.963 -3.644 382 3HG2 ILE 52 3HG2 ILE 52 2.795 -4.949 -2.461 383 1HD1 ILE 52 1HD1 ILE 52 4.941 -7.286 -6.551 384 2HD1 ILE 52 2HD1 ILE 52 3.890 -8.633 -6.049 385 3HD1 ILE 52 3HD1 ILE 52 3.172 -7.083 -6.551 386 H ASN 53 H ASN 53 2.216 -8.787 -5.031 387 HA ASN 53 HA ASN 53 1.172 -8.494 -7.568 388 1HB ASN 53 1HB ASN 53 2.436 -10.552 -5.991 389 2HB ASN 53 2HB ASN 53 1.000 -11.265 -6.699 390 1HD2 ASN 53 1HD2 ASN 53 2.133 -12.569 -8.082 391 2HD2 ASN 53 2HD2 ASN 53 2.977 -11.993 -9.481 392 H GLU 54 H GLU 54 -0.214 -9.516 -4.428 393 HA GLU 54 HA GLU 54 -2.549 -10.639 -5.508 394 1HB GLU 54 1HB GLU 54 -1.768 -11.247 -3.273 395 2HB GLU 54 2HB GLU 54 -1.886 -9.587 -2.725 396 1HG GLU 54 1HG GLU 54 -3.927 -10.330 -1.938 397 2HG GLU 54 2HG GLU 54 -4.439 -9.880 -3.553 398 H VAL 55 H VAL 55 -1.960 -7.508 -3.740 399 HA VAL 55 HA VAL 55 -4.500 -6.476 -4.201 400 HB VAL 55 HB VAL 55 -3.541 -4.369 -3.538 401 1HG1 VAL 55 1HG1 VAL 55 -3.832 -5.534 -1.595 402 2HG1 VAL 55 2HG1 VAL 55 -2.769 -6.869 -2.102 403 3HG1 VAL 55 3HG1 VAL 55 -2.064 -5.340 -1.528 404 1HG2 VAL 55 1HG2 VAL 55 -0.932 -5.676 -4.289 405 2HG2 VAL 55 2HG2 VAL 55 -1.569 -4.078 -4.744 406 3HG2 VAL 55 3HG2 VAL 55 -0.977 -4.362 -3.090 407 H ASP 56 H ASP 56 -1.446 -6.296 -6.108 408 HA ASP 56 HA ASP 56 -2.142 -4.433 -7.917 409 1HB ASP 56 1HB ASP 56 0.051 -5.529 -7.898 410 2HB ASP 56 2HB ASP 56 -0.664 -7.071 -8.323 411 H ALA 57 H ALA 57 -4.104 -4.317 -9.034 412 HA ALA 57 HA ALA 57 -5.266 -6.840 -9.973 413 1HB ALA 57 1HB ALA 57 -6.580 -5.313 -8.440 414 2HB ALA 57 2HB ALA 57 -6.561 -4.097 -9.740 415 3HB ALA 57 3HB ALA 57 -7.370 -5.662 -9.995 416 H ASP 58 H ASP 58 -4.346 -3.485 -10.949 417 HA ASP 58 HA ASP 58 -5.188 -3.528 -13.508 418 1HB ASP 58 1HB ASP 58 -3.138 -2.036 -13.957 419 2HB ASP 58 2HB ASP 58 -4.212 -1.520 -12.673 420 H GLY 59 H GLY 59 -2.525 -5.285 -11.961 421 1HA GLY 59 1HA GLY 59 -1.483 -7.157 -12.800 422 2HA GLY 59 2HA GLY 59 -2.042 -6.772 -14.415 423 H ASP 60 H ASP 60 0.630 -6.726 -12.277 424 HA ASP 60 HA ASP 60 2.422 -5.989 -14.161 425 1HB ASP 60 1HB ASP 60 3.101 -3.680 -13.296 426 2HB ASP 60 2HB ASP 60 1.625 -3.730 -14.239 427 H GLY 61 H GLY 61 1.616 -5.140 -10.705 428 1HA GLY 61 1HA GLY 61 2.590 -6.618 -9.005 429 2HA GLY 61 2HA GLY 61 4.106 -6.510 -9.878 430 H THR 62 H THR 62 1.655 -3.953 -9.084 431 HA THR 62 HA THR 62 3.528 -2.739 -7.223 432 HB THR 62 HB THR 62 2.476 -1.208 -9.654 433 HG1 THR 62 HG1 THR 62 5.049 -2.460 -8.987 434 1HG2 THR 62 1HG2 THR 62 4.192 -0.598 -7.275 435 2HG2 THR 62 2HG2 THR 62 4.828 -0.041 -8.842 436 3HG2 THR 62 3HG2 THR 62 3.228 0.506 -8.284 437 H ILE 63 H ILE 63 2.499 -0.748 -6.175 438 HA ILE 63 HA ILE 63 -0.363 -1.333 -5.868 439 HB ILE 63 HB ILE 63 1.522 -0.122 -3.845 440 1HG1 ILE 63 1HG1 ILE 63 0.538 -2.981 -4.089 441 2HG1 ILE 63 2HG1 ILE 63 2.183 -2.428 -4.338 442 1HG2 ILE 63 1HG2 ILE 63 -0.576 0.607 -3.221 443 2HG2 ILE 63 2HG2 ILE 63 -1.390 -0.850 -3.839 444 3HG2 ILE 63 3HG2 ILE 63 -0.446 -0.930 -2.332 445 1HD1 ILE 63 1HD1 ILE 63 0.839 -3.077 -1.847 446 2HD1 ILE 63 2HD1 ILE 63 2.558 -2.709 -2.125 447 3HD1 ILE 63 3HD1 ILE 63 1.406 -1.390 -1.802 448 H ASP 64 H ASP 64 -1.527 0.760 -4.907 449 HA ASP 64 HA ASP 64 -0.463 3.210 -5.782 450 1HB ASP 64 1HB ASP 64 -2.699 1.917 -7.405 451 2HB ASP 64 2HB ASP 64 -2.377 3.639 -7.448 452 H PHE 65 H PHE 65 -2.743 4.784 -5.950 453 HA PHE 65 HA PHE 65 -3.652 4.964 -3.381 454 1HB PHE 65 1HB PHE 65 -3.971 6.219 -5.905 455 2HB PHE 65 2HB PHE 65 -5.604 5.728 -5.501 456 HD1 PHE 65 HD1 PHE 65 -2.966 6.820 -3.130 457 HD2 PHE 65 HD2 PHE 65 -6.616 7.798 -5.062 458 HE1 PHE 65 HE1 PHE 65 -3.207 8.837 -1.655 459 HE2 PHE 65 HE2 PHE 65 -6.857 9.814 -3.587 460 HZ PHE 65 HZ PHE 65 -5.149 10.309 -1.901 461 HA PRO 66 HA PRO 66 -7.447 2.449 -4.695 462 1HB PRO 66 1HB PRO 66 -7.448 1.112 -7.078 463 2HB PRO 66 2HB PRO 66 -8.168 2.695 -6.867 464 1HG PRO 66 1HG PRO 66 -5.625 1.979 -8.192 465 2HG PRO 66 2HG PRO 66 -6.560 3.454 -8.336 466 1HD PRO 66 1HD PRO 66 -4.150 3.089 -6.823 467 2HD PRO 66 2HD PRO 66 -5.148 4.529 -6.874 468 H GLU 67 H GLU 67 -4.965 0.651 -6.465 469 HA GLU 67 HA GLU 67 -5.447 -1.782 -5.647 470 1HB GLU 67 1HB GLU 67 -2.694 -0.467 -5.647 471 2HB GLU 67 2HB GLU 67 -2.960 -2.199 -5.657 472 1HG GLU 67 1HG GLU 67 -4.342 -1.888 -7.788 473 2HG GLU 67 2HG GLU 67 -3.830 -0.212 -7.804 474 H PHE 68 H PHE 68 -3.520 0.573 -3.653 475 HA PHE 68 HA PHE 68 -3.268 -1.154 -1.462 476 1HB PHE 68 1HB PHE 68 -2.168 1.191 -2.264 477 2HB PHE 68 2HB PHE 68 -3.439 1.884 -1.277 478 HD1 PHE 68 HD1 PHE 68 -2.303 2.785 0.546 479 HD2 PHE 68 HD2 PHE 68 -1.445 -1.195 -0.650 480 HE1 PHE 68 HE1 PHE 68 -0.882 2.477 2.592 481 HE2 PHE 68 HE2 PHE 68 -0.024 -1.504 1.396 482 HZ PHE 68 HZ PHE 68 0.240 0.336 2.993 483 H LEU 69 H LEU 69 -5.573 1.554 -2.181 484 HA LEU 69 HA LEU 69 -6.917 1.744 0.128 485 1HB LEU 69 1HB LEU 69 -7.913 3.151 -1.250 486 2HB LEU 69 2HB LEU 69 -7.446 2.229 -2.665 487 HG LEU 69 HG LEU 69 -9.408 0.786 -2.415 488 1HD1 LEU 69 1HD1 LEU 69 -10.260 0.517 -0.375 489 2HD1 LEU 69 2HD1 LEU 69 -9.526 2.025 0.221 490 3HD1 LEU 69 3HD1 LEU 69 -11.091 2.071 -0.626 491 1HD2 LEU 69 1HD2 LEU 69 -10.889 2.238 -3.383 492 2HD2 LEU 69 2HD2 LEU 69 -10.545 3.545 -2.225 493 3HD2 LEU 69 3HD2 LEU 69 -9.386 3.180 -3.525 494 H THR 70 H THR 70 -7.442 -0.800 -2.396 495 HA THR 70 HA THR 70 -9.441 -2.127 -0.871 496 HB THR 70 HB THR 70 -7.746 -2.760 -3.327 497 HG1 THR 70 HG1 THR 70 -9.965 -2.513 -4.190 498 1HG2 THR 70 1HG2 THR 70 -10.081 -4.420 -2.255 499 2HG2 THR 70 2HG2 THR 70 -9.071 -4.766 -3.680 500 3HG2 THR 70 3HG2 THR 70 -8.382 -4.907 -2.045 501 H MET 71 H MET 71 -5.886 -2.495 -1.233 502 HA MET 71 HA MET 71 -5.637 -4.898 0.033 503 1HB MET 71 1HB MET 71 -3.812 -3.593 -1.127 504 2HB MET 71 2HB MET 71 -3.806 -2.438 0.190 505 1HG MET 71 1HG MET 71 -3.321 -4.466 1.751 506 2HG MET 71 2HG MET 71 -2.988 -5.372 0.288 507 1HE MET 71 1HE MET 71 0.289 -4.216 2.273 508 2HE MET 71 2HE MET 71 -1.019 -3.227 2.965 509 3HE MET 71 3HE MET 71 -1.285 -4.957 2.645 510 H MET 72 H MET 72 -5.326 -1.593 1.533 511 HA MET 72 HA MET 72 -5.057 -2.515 4.110 512 1HB MET 72 1HB MET 72 -4.680 -0.147 3.162 513 2HB MET 72 2HB MET 72 -6.417 0.080 3.202 514 1HG MET 72 1HG MET 72 -6.506 0.124 5.550 515 2HG MET 72 2HG MET 72 -5.069 -0.862 5.733 516 1HE MET 72 1HE MET 72 -2.499 0.534 4.429 517 2HE MET 72 2HE MET 72 -2.225 1.368 5.978 518 3HE MET 72 3HE MET 72 -2.952 -0.257 5.958 519 H ALA 73 H ALA 73 -8.038 -1.162 2.510 520 HA ALA 73 HA ALA 73 -9.813 -1.513 4.522 521 1HB ALA 73 1HB ALA 73 -11.414 -1.171 2.898 522 2HB ALA 73 2HB ALA 73 -9.969 -0.681 1.982 523 3HB ALA 73 3HB ALA 73 -10.657 -2.307 1.756 524 H ARG 74 H ARG 74 -8.960 -3.977 1.986 525 HA ARG 74 HA ARG 74 -10.542 -5.953 3.057 526 1HB ARG 74 1HB ARG 74 -8.045 -5.986 1.319 527 2HB ARG 74 2HB ARG 74 -8.798 -7.490 1.810 528 1HG ARG 74 1HG ARG 74 -10.697 -5.459 0.740 529 2HG ARG 74 2HG ARG 74 -9.517 -6.028 -0.424 530 1HD ARG 74 1HD ARG 74 -11.194 -7.920 1.290 531 2HD ARG 74 2HD ARG 74 -11.697 -7.381 -0.300 532 HE ARG 74 HE ARG 74 -9.860 -8.593 -1.290 533 1HH1 ARG 74 2HH2 ARG 74 -10.036 -8.973 2.204 534 2HH1 ARG 74 1HH2 ARG 74 -9.010 -10.368 2.232 535 1HH2 ARG 74 2HH1 ARG 74 -8.507 -10.434 -1.253 536 2HH2 ARG 74 1HH1 ARG 74 -8.135 -11.205 0.252 537 H LYS 75 H LYS 75 -7.391 -4.687 4.007 538 HA LYS 75 HA LYS 75 -6.382 -6.920 5.341 539 1HB LYS 75 1HB LYS 75 -5.299 -4.634 4.673 540 2HB LYS 75 2HB LYS 75 -5.864 -4.096 6.241 541 1HG LYS 75 1HG LYS 75 -3.601 -4.938 6.518 542 2HG LYS 75 2HG LYS 75 -4.690 -6.065 7.302 543 1HD LYS 75 1HD LYS 75 -4.151 -6.637 4.421 544 2HD LYS 75 2HD LYS 75 -2.760 -6.792 5.476 545 1HE LYS 75 1HE LYS 75 -4.796 -8.059 6.932 546 2HE LYS 75 2HE LYS 75 -5.162 -8.504 5.277 547 1HZ LYS 75 1HZ LYS 75 -2.434 -8.716 6.303 548 2HZ LYS 75 2HZ LYS 75 -3.518 -9.911 6.556 549 3HZ LYS 75 3HZ LYS 75 -3.106 -9.491 5.033 550 H MET 76 H MET 76 -8.169 -4.041 6.666 551 HA MET 76 HA MET 76 -8.396 -5.114 9.205 552 1HB MET 76 1HB MET 76 -10.136 -3.332 9.494 553 2HB MET 76 2HB MET 76 -8.743 -2.707 8.633 554 1HG MET 76 1HG MET 76 -9.887 -2.540 6.603 555 2HG MET 76 2HG MET 76 -10.946 -3.890 6.959 556 1HE MET 76 1HE MET 76 -13.415 -2.417 6.350 557 2HE MET 76 2HE MET 76 -13.034 -3.793 7.412 558 3HE MET 76 3HE MET 76 -14.047 -2.458 8.013 559 H LYS 77 H LYS 77 -10.143 -5.778 6.233 560 HA LYS 77 HA LYS 77 -12.572 -6.629 7.307 561 1HB LYS 77 1HB LYS 77 -12.111 -6.126 4.912 562 2HB LYS 77 2HB LYS 77 -11.167 -7.597 4.800 563 1HG LYS 77 1HG LYS 77 -13.266 -8.841 5.675 564 2HG LYS 77 2HG LYS 77 -14.146 -7.352 5.393 565 1HD LYS 77 1HD LYS 77 -12.453 -8.202 3.100 566 2HD LYS 77 2HD LYS 77 -13.729 -9.335 3.498 567 1HE LYS 77 1HE LYS 77 -15.417 -7.505 3.372 568 2HE LYS 77 2HE LYS 77 -14.151 -6.345 3.024 569 1HZ LYS 77 1HZ LYS 77 -14.143 -8.624 1.301 570 2HZ LYS 77 2HZ LYS 77 -15.494 -7.714 1.181 571 3HZ LYS 77 3HZ LYS 77 -14.029 -7.038 0.931 572 H ASP 78 H ASP 78 -9.687 -8.602 6.294 573 HA ASP 78 HA ASP 78 -10.646 -10.973 7.243 574 1HB ASP 78 1HB ASP 78 -8.670 -10.903 5.846 575 2HB ASP 78 2HB ASP 78 -7.820 -9.872 6.979 576 H THR 79 H THR 79 -8.233 -8.718 8.809 577 HA THR 79 HA THR 79 -8.186 -10.045 11.274 578 HB THR 79 HB THR 79 -6.617 -8.229 10.141 579 HG1 THR 79 HG1 THR 79 -7.516 -8.501 12.907 580 1HG2 THR 79 1HG2 THR 79 -8.811 -6.572 10.610 581 2HG2 THR 79 2HG2 THR 79 -7.825 -6.319 12.070 582 3HG2 THR 79 3HG2 THR 79 -7.130 -6.008 10.461 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -19.754 6.658 0.074 2 HA ALA 1 HA ALA 1 -20.224 3.962 -0.042 3 1HB ALA 1 1HB ALA 1 -17.524 4.341 1.249 4 2HB ALA 1 2HB ALA 1 -18.278 2.856 0.621 5 3HB ALA 1 3HB ALA 1 -17.637 4.074 -0.507 6 H ASP 2 H ASP 2 -18.993 6.781 1.773 7 HA ASP 2 HA ASP 2 -19.316 7.475 3.813 8 1HB ASP 2 1HB ASP 2 -22.055 6.190 3.387 9 2HB ASP 2 2HB ASP 2 -21.696 7.359 4.642 10 H GLN 3 H GLN 3 -18.187 4.744 3.571 11 HA GLN 3 HA GLN 3 -19.329 3.516 5.956 12 1HB GLN 3 1HB GLN 3 -18.526 2.431 3.388 13 2HB GLN 3 2HB GLN 3 -17.555 1.696 4.649 14 1HG GLN 3 1HG GLN 3 -20.319 1.871 5.545 15 2HG GLN 3 2HG GLN 3 -20.269 1.107 3.968 16 1HE2 GLN 3 1HE2 GLN 3 -19.888 -0.970 3.882 17 2HE2 GLN 3 2HE2 GLN 3 -19.151 -1.952 5.104 18 H LEU 4 H LEU 4 -16.284 4.415 4.241 19 HA LEU 4 HA LEU 4 -15.015 5.153 6.625 20 1HB LEU 4 1HB LEU 4 -13.562 3.446 7.112 21 2HB LEU 4 2HB LEU 4 -15.064 2.601 6.794 22 HG LEU 4 HG LEU 4 -13.893 2.583 4.310 23 1HD1 LEU 4 1HD1 LEU 4 -11.817 3.344 6.029 24 2HD1 LEU 4 2HD1 LEU 4 -11.553 1.613 5.707 25 3HD1 LEU 4 3HD1 LEU 4 -11.680 2.760 4.352 26 1HD2 LEU 4 1HD2 LEU 4 -13.024 0.250 5.711 27 2HD2 LEU 4 2HD2 LEU 4 -14.616 0.735 6.343 28 3HD2 LEU 4 3HD2 LEU 4 -14.401 0.446 4.600 29 H THR 5 H THR 5 -14.747 3.958 3.245 30 HA THR 5 HA THR 5 -12.351 4.896 2.465 31 HB THR 5 HB THR 5 -14.914 4.237 1.282 32 HG1 THR 5 HG1 THR 5 -13.258 3.128 0.324 33 1HG2 THR 5 1HG2 THR 5 -14.944 5.637 -0.667 34 2HG2 THR 5 2HG2 THR 5 -14.788 6.783 0.686 35 3HG2 THR 5 3HG2 THR 5 -13.357 6.345 -0.278 36 H GLU 6 H GLU 6 -15.125 6.854 3.476 37 HA GLU 6 HA GLU 6 -14.262 9.234 2.340 38 1HB GLU 6 1HB GLU 6 -16.542 8.934 3.184 39 2HB GLU 6 2HB GLU 6 -15.955 8.690 4.816 40 1HG GLU 6 1HG GLU 6 -15.877 10.927 5.198 41 2HG GLU 6 2HG GLU 6 -14.885 11.190 3.777 42 H GLU 7 H GLU 7 -13.968 8.068 5.780 43 HA GLU 7 HA GLU 7 -12.188 10.153 6.418 44 1HB GLU 7 1HB GLU 7 -11.901 8.859 8.566 45 2HB GLU 7 2HB GLU 7 -13.570 9.208 8.162 46 1HG GLU 7 1HG GLU 7 -14.085 6.990 7.731 47 2HG GLU 7 2HG GLU 7 -12.497 6.630 7.084 48 H GLN 8 H GLN 8 -11.871 6.953 5.002 49 HA GLN 8 HA GLN 8 -9.202 6.533 5.772 50 1HB GLN 8 1HB GLN 8 -10.858 4.767 4.997 51 2HB GLN 8 2HB GLN 8 -10.666 5.372 3.364 52 1HG GLN 8 1HG GLN 8 -8.067 4.884 4.669 53 2HG GLN 8 2HG GLN 8 -9.057 3.438 4.622 54 1HE2 GLN 8 1HE2 GLN 8 -8.926 2.245 2.889 55 2HE2 GLN 8 2HE2 GLN 8 -8.449 2.743 1.300 56 H ILE 9 H ILE 9 -10.670 7.427 2.558 57 HA ILE 9 HA ILE 9 -8.303 7.949 1.262 58 HB ILE 9 HB ILE 9 -9.648 9.250 -0.291 59 1HG1 ILE 9 1HG1 ILE 9 -12.249 9.167 0.477 60 2HG1 ILE 9 2HG1 ILE 9 -11.487 9.428 2.033 61 1HG2 ILE 9 1HG2 ILE 9 -10.338 6.560 0.652 62 2HG2 ILE 9 2HG2 ILE 9 -11.641 7.359 -0.261 63 3HG2 ILE 9 3HG2 ILE 9 -10.030 7.163 -0.994 64 1HD1 ILE 9 1HD1 ILE 9 -11.654 11.240 -0.324 65 2HD1 ILE 9 2HD1 ILE 9 -11.554 11.633 1.409 66 3HD1 ILE 9 3HD1 ILE 9 -10.078 11.220 0.503 67 H ALA 10 H ALA 10 -9.963 9.768 3.774 68 HA ALA 10 HA ALA 10 -8.908 12.297 3.242 69 1HB ALA 10 1HB ALA 10 -10.782 11.616 4.838 70 2HB ALA 10 2HB ALA 10 -9.508 11.118 5.977 71 3HB ALA 10 3HB ALA 10 -9.628 12.818 5.464 72 H GLU 11 H GLU 11 -7.782 9.777 5.617 73 HA GLU 11 HA GLU 11 -5.385 11.170 6.071 74 1HB GLU 11 1HB GLU 11 -6.626 8.602 6.929 75 2HB GLU 11 2HB GLU 11 -4.874 8.615 6.954 76 1HG GLU 11 1HG GLU 11 -4.773 10.396 8.521 77 2HG GLU 11 2HG GLU 11 -6.398 10.943 8.157 78 H PHE 12 H PHE 12 -6.306 8.287 4.094 79 HA PHE 12 HA PHE 12 -3.860 7.433 3.297 80 1HB PHE 12 1HB PHE 12 -6.664 7.573 2.249 81 2HB PHE 12 2HB PHE 12 -5.470 7.342 0.988 82 HD1 PHE 12 HD1 PHE 12 -5.630 6.006 4.470 83 HD2 PHE 12 HD2 PHE 12 -5.597 5.135 0.317 84 HE1 PHE 12 HE1 PHE 12 -5.560 3.550 4.986 85 HE2 PHE 12 HE2 PHE 12 -5.527 2.679 0.833 86 HZ PHE 12 HZ PHE 12 -5.510 1.916 3.161 87 H LYS 13 H LYS 13 -5.593 10.384 2.303 88 HA LYS 13 HA LYS 13 -4.163 10.914 -0.026 89 1HB LYS 13 1HB LYS 13 -6.303 12.006 1.070 90 2HB LYS 13 2HB LYS 13 -5.138 13.115 1.766 91 1HG LYS 13 1HG LYS 13 -4.512 13.995 -0.308 92 2HG LYS 13 2HG LYS 13 -4.877 12.515 -1.173 93 1HD LYS 13 1HD LYS 13 -7.386 13.189 -0.257 94 2HD LYS 13 2HD LYS 13 -6.680 14.781 -0.445 95 1HE LYS 13 1HE LYS 13 -5.948 13.227 -2.763 96 2HE LYS 13 2HE LYS 13 -7.666 13.007 -2.501 97 1HZ LYS 13 1HZ LYS 13 -7.677 14.932 -3.642 98 2HZ LYS 13 2HZ LYS 13 -7.526 15.579 -2.150 99 3HZ LYS 13 3HZ LYS 13 -6.215 15.431 -3.112 100 H GLU 14 H GLU 14 -3.631 12.161 3.349 101 HA GLU 14 HA GLU 14 -1.175 13.316 2.610 102 1HB GLU 14 1HB GLU 14 -2.517 14.202 4.469 103 2HB GLU 14 2HB GLU 14 -2.380 12.688 5.340 104 1HG GLU 14 1HG GLU 14 0.293 13.378 4.758 105 2HG GLU 14 2HG GLU 14 -0.460 14.910 5.155 106 H ALA 15 H ALA 15 -2.199 10.208 4.076 107 HA ALA 15 HA ALA 15 0.296 9.341 4.943 108 1HB ALA 15 1HB ALA 15 -1.980 8.362 5.454 109 2HB ALA 15 2HB ALA 15 -1.967 7.642 3.826 110 3HB ALA 15 3HB ALA 15 -0.738 7.163 5.021 111 H PHE 16 H PHE 16 -1.406 8.907 1.770 112 HA PHE 16 HA PHE 16 0.183 7.280 0.432 113 1HB PHE 16 1HB PHE 16 -1.614 8.384 -0.725 114 2HB PHE 16 2HB PHE 16 -1.086 9.974 -0.209 115 HD1 PHE 16 HD1 PHE 16 -0.381 7.215 -2.557 116 HD2 PHE 16 HD2 PHE 16 0.437 11.248 -1.519 117 HE1 PHE 16 HE1 PHE 16 0.766 7.551 -4.764 118 HE2 PHE 16 HE2 PHE 16 1.584 11.583 -3.726 119 HZ PHE 16 HZ PHE 16 1.735 9.731 -5.322 120 H SER 17 H SER 17 0.946 10.784 0.990 121 HA SER 17 HA SER 17 3.155 11.063 -0.448 122 1HB SER 17 1HB SER 17 2.298 12.885 0.889 123 2HB SER 17 2HB SER 17 2.594 12.022 2.384 124 HG SER 17 HG SER 17 4.225 13.658 1.923 125 H LEU 18 H LEU 18 2.923 9.463 2.789 126 HA LEU 18 HA LEU 18 5.702 8.936 2.949 127 1HB LEU 18 1HB LEU 18 3.311 7.819 4.414 128 2HB LEU 18 2HB LEU 18 4.970 7.401 4.795 129 HG LEU 18 HG LEU 18 4.055 10.274 4.796 130 1HD1 LEU 18 1HD1 LEU 18 2.492 9.375 6.281 131 2HD1 LEU 18 2HD1 LEU 18 3.650 8.196 6.940 132 3HD1 LEU 18 3HD1 LEU 18 3.820 9.924 7.331 133 1HD2 LEU 18 1HD2 LEU 18 6.134 9.124 6.614 134 2HD2 LEU 18 2HD2 LEU 18 6.536 9.390 4.900 135 3HD2 LEU 18 3HD2 LEU 18 5.997 10.754 5.911 136 H PHE 19 H PHE 19 2.845 6.764 2.352 137 HA PHE 19 HA PHE 19 4.177 4.483 1.792 138 1HB PHE 19 1HB PHE 19 1.739 5.828 0.493 139 2HB PHE 19 2HB PHE 19 2.152 4.158 0.158 140 HD1 PHE 19 HD1 PHE 19 -0.145 5.894 1.815 141 HD2 PHE 19 HD2 PHE 19 2.852 3.023 2.699 142 HE1 PHE 19 HE1 PHE 19 -1.439 5.168 3.839 143 HE2 PHE 19 HE2 PHE 19 1.558 2.297 4.724 144 HZ PHE 19 HZ PHE 19 -0.572 3.377 5.269 145 H ASP 20 H ASP 20 3.340 7.101 -0.586 146 HA ASP 20 HA ASP 20 4.908 5.747 -2.565 147 1HB ASP 20 1HB ASP 20 2.680 7.201 -2.811 148 2HB ASP 20 2HB ASP 20 3.801 8.547 -2.879 149 H LYS 21 H LYS 21 6.783 6.152 -0.774 150 HA LYS 21 HA LYS 21 7.806 8.748 -0.496 151 1HB LYS 21 1HB LYS 21 9.833 7.570 0.334 152 2HB LYS 21 2HB LYS 21 8.348 7.052 1.107 153 1HG LYS 21 1HG LYS 21 8.454 5.288 -1.008 154 2HG LYS 21 2HG LYS 21 10.164 5.541 -0.718 155 1HD LYS 21 1HD LYS 21 9.430 3.659 0.647 156 2HD LYS 21 2HD LYS 21 9.809 4.995 1.715 157 1HE LYS 21 1HE LYS 21 7.002 5.093 0.843 158 2HE LYS 21 2HE LYS 21 7.376 3.561 1.607 159 1HZ LYS 21 1HZ LYS 21 6.697 5.376 3.126 160 2HZ LYS 21 2HZ LYS 21 8.118 4.675 3.520 161 3HZ LYS 21 3HZ LYS 21 8.103 6.141 2.801 162 H ASP 22 H ASP 22 7.735 6.551 -3.165 163 HA ASP 22 HA ASP 22 10.170 7.245 -4.328 164 1HB ASP 22 1HB ASP 22 8.042 5.510 -4.886 165 2HB ASP 22 2HB ASP 22 7.954 6.662 -6.204 166 H GLY 23 H GLY 23 6.765 8.453 -4.624 167 1HA GLY 23 1HA GLY 23 6.076 10.581 -5.094 168 2HA GLY 23 2HA GLY 23 7.719 11.048 -5.486 169 H ASP 24 H ASP 24 5.982 8.194 -6.827 170 HA ASP 24 HA ASP 24 5.935 9.604 -9.377 171 1HB ASP 24 1HB ASP 24 6.289 7.215 -10.363 172 2HB ASP 24 2HB ASP 24 7.682 8.052 -9.706 173 H GLY 25 H GLY 25 4.032 8.698 -6.967 174 1HA GLY 25 1HA GLY 25 1.817 8.266 -6.845 175 2HA GLY 25 2HA GLY 25 1.742 8.177 -8.593 176 H THR 26 H THR 26 4.276 6.159 -7.643 177 HA THR 26 HA THR 26 2.465 3.837 -7.511 178 HB THR 26 HB THR 26 5.236 4.054 -8.800 179 HG1 THR 26 HG1 THR 26 2.535 3.809 -9.913 180 1HG2 THR 26 1HG2 THR 26 4.696 1.723 -8.222 181 2HG2 THR 26 2HG2 THR 26 3.040 1.919 -8.844 182 3HG2 THR 26 3HG2 THR 26 4.421 1.946 -9.967 183 H ILE 27 H ILE 27 2.700 2.410 -5.874 184 HA ILE 27 HA ILE 27 4.842 3.046 -3.980 185 HB ILE 27 HB ILE 27 2.071 1.953 -3.719 186 1HG1 ILE 27 1HG1 ILE 27 2.189 3.590 -1.731 187 2HG1 ILE 27 2HG1 ILE 27 3.678 4.172 -2.449 188 1HG2 ILE 27 1HG2 ILE 27 4.408 1.042 -2.204 189 2HG2 ILE 27 2HG2 ILE 27 3.103 1.691 -1.182 190 3HG2 ILE 27 3HG2 ILE 27 2.768 0.360 -2.316 191 1HD1 ILE 27 1HD1 ILE 27 2.442 5.481 -3.819 192 2HD1 ILE 27 2HD1 ILE 27 1.822 4.005 -4.598 193 3HD1 ILE 27 3HD1 ILE 27 0.937 4.731 -3.236 194 H THR 28 H THR 28 6.509 1.921 -5.144 195 HA THR 28 HA THR 28 6.289 -0.688 -6.070 196 HB THR 28 HB THR 28 8.661 0.922 -4.992 197 HG1 THR 28 HG1 THR 28 7.136 1.512 -6.924 198 1HG2 THR 28 1HG2 THR 28 9.374 -1.418 -5.178 199 2HG2 THR 28 2HG2 THR 28 8.514 -1.597 -6.726 200 3HG2 THR 28 3HG2 THR 28 9.954 -0.555 -6.623 201 H THR 29 H THR 29 6.864 -2.729 -5.239 202 HA THR 29 HA THR 29 5.873 -3.402 -2.817 203 HB THR 29 HB THR 29 7.175 -5.484 -3.119 204 HG1 THR 29 HG1 THR 29 9.245 -4.702 -3.631 205 1HG2 THR 29 1HG2 THR 29 6.459 -6.089 -5.282 206 2HG2 THR 29 2HG2 THR 29 5.415 -4.681 -4.974 207 3HG2 THR 29 3HG2 THR 29 6.879 -4.502 -5.970 208 H LYS 30 H LYS 30 9.247 -2.327 -3.493 209 HA LYS 30 HA LYS 30 10.176 -2.761 -0.895 210 1HB LYS 30 1HB LYS 30 12.108 -1.656 -1.583 211 2HB LYS 30 2HB LYS 30 11.478 -2.341 -3.067 212 1HG LYS 30 1HG LYS 30 10.391 -0.146 -3.610 213 2HG LYS 30 2HG LYS 30 11.042 0.536 -2.133 214 1HD LYS 30 1HD LYS 30 13.005 0.987 -3.171 215 2HD LYS 30 2HD LYS 30 13.225 -0.711 -3.545 216 1HE LYS 30 1HE LYS 30 11.961 -0.495 -5.627 217 2HE LYS 30 2HE LYS 30 11.460 1.134 -5.218 218 1HZ LYS 30 1HZ LYS 30 13.285 1.824 -6.204 219 2HZ LYS 30 2HZ LYS 30 14.202 1.097 -5.066 220 3HZ LYS 30 3HZ LYS 30 13.828 0.303 -6.443 221 H GLU 31 H GLU 31 8.570 0.051 -2.474 222 HA GLU 31 HA GLU 31 8.914 1.772 -0.322 223 1HB GLU 31 1HB GLU 31 6.856 1.686 -2.564 224 2HB GLU 31 2HB GLU 31 6.931 2.999 -1.406 225 1HG GLU 31 1HG GLU 31 8.989 3.786 -2.207 226 2HG GLU 31 2HG GLU 31 9.493 2.210 -2.784 227 H LEU 32 H LEU 32 6.616 -0.845 -0.979 228 HA LEU 32 HA LEU 32 4.621 -0.054 0.827 229 1HB LEU 32 1HB LEU 32 4.146 -1.631 -0.883 230 2HB LEU 32 2HB LEU 32 5.423 -2.708 -0.353 231 HG LEU 32 HG LEU 32 2.922 -2.078 1.239 232 1HD1 LEU 32 1HD1 LEU 32 1.860 -3.860 0.345 233 2HD1 LEU 32 2HD1 LEU 32 2.926 -3.512 -1.039 234 3HD1 LEU 32 3HD1 LEU 32 3.362 -4.789 0.122 235 1HD2 LEU 32 1HD2 LEU 32 5.387 -3.626 1.820 236 2HD2 LEU 32 2HD2 LEU 32 4.286 -2.753 2.913 237 3HD2 LEU 32 3HD2 LEU 32 3.842 -4.365 2.304 238 H GLY 33 H GLY 33 7.442 -2.312 1.166 239 1HA GLY 33 1HA GLY 33 6.989 -2.887 3.888 240 2HA GLY 33 2HA GLY 33 8.479 -3.111 2.995 241 H THR 34 H THR 34 8.895 -0.347 2.169 242 HA THR 34 HA THR 34 10.452 0.632 4.146 243 HB THR 34 HB THR 34 8.760 2.224 2.147 244 HG1 THR 34 HG1 THR 34 11.423 0.987 2.092 245 1HG2 THR 34 1HG2 THR 34 11.265 2.804 3.763 246 2HG2 THR 34 2HG2 THR 34 11.095 3.495 2.132 247 3HG2 THR 34 3HG2 THR 34 9.902 3.887 3.393 248 H VAL 35 H VAL 35 6.984 1.567 3.638 249 HA VAL 35 HA VAL 35 6.888 3.192 5.912 250 HB VAL 35 HB VAL 35 4.605 1.681 4.638 251 1HG1 VAL 35 1HG1 VAL 35 4.469 4.493 5.689 252 2HG1 VAL 35 2HG1 VAL 35 3.186 3.266 5.545 253 3HG1 VAL 35 3HG1 VAL 35 4.413 3.125 6.827 254 1HG2 VAL 35 1HG2 VAL 35 4.833 2.821 2.733 255 2HG2 VAL 35 2HG2 VAL 35 4.951 4.365 3.612 256 3HG2 VAL 35 3HG2 VAL 35 6.414 3.393 3.320 257 H MET 36 H MET 36 5.698 -0.206 5.384 258 HA MET 36 HA MET 36 4.712 -0.827 7.721 259 1HB MET 36 1HB MET 36 6.790 -2.417 6.121 260 2HB MET 36 2HB MET 36 5.833 -3.134 7.402 261 1HG MET 36 1HG MET 36 4.467 -1.660 5.122 262 2HG MET 36 2HG MET 36 4.983 -3.321 4.913 263 1HE MET 36 1HE MET 36 2.363 -0.968 6.953 264 2HE MET 36 2HE MET 36 2.296 -1.389 5.225 265 3HE MET 36 3HE MET 36 1.111 -2.084 6.357 266 H ARG 37 H ARG 37 8.286 -0.815 7.068 267 HA ARG 37 HA ARG 37 9.116 -1.645 9.498 268 1HB ARG 37 1HB ARG 37 10.331 0.401 7.584 269 2HB ARG 37 2HB ARG 37 11.193 -0.170 8.999 270 1HG ARG 37 1HG ARG 37 11.810 -2.060 7.913 271 2HG ARG 37 2HG ARG 37 10.134 -2.474 7.615 272 1HD ARG 37 1HD ARG 37 10.862 -2.260 5.415 273 2HD ARG 37 2HD ARG 37 10.344 -0.610 5.700 274 HE ARG 37 HE ARG 37 12.600 0.094 5.754 275 1HH1 ARG 37 2HH2 ARG 37 12.412 -3.420 5.719 276 2HH1 ARG 37 1HH2 ARG 37 14.101 -3.635 5.399 277 1HH2 ARG 37 2HH1 ARG 37 14.829 -0.189 5.332 278 2HH2 ARG 37 1HH1 ARG 37 15.485 -1.785 5.178 279 H SER 38 H SER 38 8.713 1.814 8.412 280 HA SER 38 HA SER 38 9.382 3.127 10.603 281 1HB SER 38 1HB SER 38 7.917 3.701 8.298 282 2HB SER 38 2HB SER 38 6.783 4.092 9.576 283 HG SER 38 HG SER 38 8.500 5.426 10.553 284 H LEU 39 H LEU 39 6.573 1.004 10.211 285 HA LEU 39 HA LEU 39 5.369 1.934 12.674 286 1HB LEU 39 1HB LEU 39 4.598 -0.208 10.690 287 2HB LEU 39 2HB LEU 39 3.687 0.167 12.140 288 HG LEU 39 HG LEU 39 4.242 2.150 9.916 289 1HD1 LEU 39 1HD1 LEU 39 2.838 0.702 8.827 290 2HD1 LEU 39 2HD1 LEU 39 2.029 0.177 10.323 291 3HD1 LEU 39 3HD1 LEU 39 1.653 1.768 9.619 292 1HD2 LEU 39 1HD2 LEU 39 3.275 3.728 11.157 293 2HD2 LEU 39 2HD2 LEU 39 1.955 2.646 11.661 294 3HD2 LEU 39 3HD2 LEU 39 3.503 2.629 12.539 295 H GLY 40 H GLY 40 7.951 1.168 13.210 296 1HA GLY 40 1HA GLY 40 9.224 -0.251 14.411 297 2HA GLY 40 2HA GLY 40 7.747 -0.580 15.294 298 H GLN 41 H GLN 41 8.805 -1.349 11.898 299 HA GLN 41 HA GLN 41 8.663 -4.149 12.612 300 1HB GLN 41 1HB GLN 41 6.876 -2.731 10.664 301 2HB GLN 41 2HB GLN 41 7.469 -4.308 10.183 302 1HG GLN 41 1HG GLN 41 6.451 -4.123 12.990 303 2HG GLN 41 2HG GLN 41 5.241 -3.921 11.738 304 1HE2 GLN 41 1HE2 GLN 41 4.191 -5.738 11.500 305 2HE2 GLN 41 2HE2 GLN 41 4.863 -7.327 11.354 306 H ASN 42 H ASN 42 9.194 -5.369 10.225 307 HA ASN 42 HA ASN 42 10.987 -3.959 8.618 308 1HB ASN 42 1HB ASN 42 12.148 -4.767 11.044 309 2HB ASN 42 2HB ASN 42 12.583 -6.074 9.961 310 1HD2 ASN 42 1HD2 ASN 42 12.402 -2.522 10.076 311 2HD2 ASN 42 2HD2 ASN 42 13.865 -2.196 9.207 312 HA PRO 43 HA PRO 43 9.326 -8.067 7.338 313 1HB PRO 43 1HB PRO 43 7.598 -7.238 5.391 314 2HB PRO 43 2HB PRO 43 7.099 -7.568 7.038 315 1HG PRO 43 1HG PRO 43 7.475 -4.957 5.703 316 2HG PRO 43 2HG PRO 43 6.589 -5.322 7.170 317 1HD PRO 43 1HD PRO 43 9.182 -4.109 6.987 318 2HD PRO 43 2HD PRO 43 8.346 -4.580 8.454 319 H THR 44 H THR 44 9.225 -9.099 5.036 320 HA THR 44 HA THR 44 11.567 -7.962 3.659 321 HB THR 44 HB THR 44 11.550 -10.487 2.791 322 HG1 THR 44 HG1 THR 44 9.689 -11.291 3.766 323 1HG2 THR 44 1HG2 THR 44 13.358 -9.720 4.271 324 2HG2 THR 44 2HG2 THR 44 12.249 -9.685 5.663 325 3HG2 THR 44 3HG2 THR 44 12.709 -11.240 4.930 326 H GLU 45 H GLU 45 11.549 -7.606 1.453 327 HA GLU 45 HA GLU 45 9.068 -6.962 0.395 328 1HB GLU 45 1HB GLU 45 10.295 -6.435 -1.652 329 2HB GLU 45 2HB GLU 45 11.227 -5.902 -0.267 330 1HG GLU 45 1HG GLU 45 12.082 -8.555 -0.650 331 2HG GLU 45 2HG GLU 45 11.882 -7.951 -2.283 332 H ALA 46 H ALA 46 10.766 -9.982 0.625 333 HA ALA 46 HA ALA 46 9.813 -11.220 -1.713 334 1HB ALA 46 1HB ALA 46 11.155 -12.853 -0.945 335 2HB ALA 46 2HB ALA 46 11.490 -11.828 0.471 336 3HB ALA 46 3HB ALA 46 10.181 -13.032 0.534 337 H GLU 47 H GLU 47 8.659 -11.335 1.735 338 HA GLU 47 HA GLU 47 6.414 -12.847 1.119 339 1HB GLU 47 1HB GLU 47 7.198 -11.075 3.448 340 2HB GLU 47 2HB GLU 47 5.603 -11.799 3.396 341 1HG GLU 47 1HG GLU 47 7.616 -13.802 2.724 342 2HG GLU 47 2HG GLU 47 8.036 -13.026 4.238 343 H LEU 48 H LEU 48 7.047 -9.322 1.169 344 HA LEU 48 HA LEU 48 4.319 -8.588 0.921 345 1HB LEU 48 1HB LEU 48 6.958 -7.193 0.634 346 2HB LEU 48 2HB LEU 48 5.482 -6.397 0.124 347 HG LEU 48 HG LEU 48 5.945 -5.651 2.322 348 1HD1 LEU 48 1HD1 LEU 48 3.878 -7.754 2.898 349 2HD1 LEU 48 2HD1 LEU 48 3.930 -6.043 3.388 350 3HD1 LEU 48 3HD1 LEU 48 3.557 -6.475 1.702 351 1HD2 LEU 48 1HD2 LEU 48 6.550 -8.531 2.884 352 2HD2 LEU 48 2HD2 LEU 48 7.475 -7.066 3.290 353 3HD2 LEU 48 3HD2 LEU 48 6.008 -7.475 4.210 354 H GLN 49 H GLN 49 6.819 -9.732 -1.273 355 HA GLN 49 HA GLN 49 5.935 -8.603 -3.610 356 1HB GLN 49 1HB GLN 49 8.057 -9.924 -3.265 357 2HB GLN 49 2HB GLN 49 7.107 -11.396 -3.247 358 1HG GLN 49 1HG GLN 49 6.236 -10.804 -5.554 359 2HG GLN 49 2HG GLN 49 7.307 -9.417 -5.566 360 1HE2 GLN 49 1HE2 GLN 49 6.961 -12.483 -6.592 361 2HE2 GLN 49 2HE2 GLN 49 8.609 -12.985 -6.772 362 H ASP 50 H ASP 50 4.723 -11.414 -1.757 363 HA ASP 50 HA ASP 50 3.082 -12.375 -3.809 364 1HB ASP 50 1HB ASP 50 3.887 -13.520 -1.603 365 2HB ASP 50 2HB ASP 50 2.558 -12.682 -0.827 366 H MET 51 H MET 51 2.783 -9.967 -1.175 367 HA MET 51 HA MET 51 -0.014 -9.749 -1.314 368 1HB MET 51 1HB MET 51 2.278 -8.112 -0.161 369 2HB MET 51 2HB MET 51 0.668 -7.419 -0.171 370 1HG MET 51 1HG MET 51 0.562 -10.176 0.799 371 2HG MET 51 2HG MET 51 1.738 -9.261 1.721 372 1HE MET 51 1HE MET 51 -1.224 -10.598 2.262 373 2HE MET 51 2HE MET 51 -0.360 -9.996 3.697 374 3HE MET 51 3HE MET 51 -2.030 -9.468 3.377 375 H ILE 52 H ILE 52 2.663 -7.568 -2.472 376 HA ILE 52 HA ILE 52 1.123 -5.693 -3.716 377 HB ILE 52 HB ILE 52 3.128 -5.389 -5.211 378 1HG1 ILE 52 1HG1 ILE 52 5.118 -6.806 -4.007 379 2HG1 ILE 52 2HG1 ILE 52 3.823 -7.986 -3.968 380 1HG2 ILE 52 1HG2 ILE 52 2.829 -5.031 -2.366 381 2HG2 ILE 52 2HG2 ILE 52 4.542 -5.284 -2.780 382 3HG2 ILE 52 3HG2 ILE 52 3.619 -3.982 -3.568 383 1HD1 ILE 52 1HD1 ILE 52 3.435 -7.556 -6.440 384 2HD1 ILE 52 2HD1 ILE 52 4.888 -6.527 -6.426 385 3HD1 ILE 52 3HD1 ILE 52 5.023 -8.264 -6.062 386 H ASN 53 H ASN 53 2.199 -8.905 -4.952 387 HA ASN 53 HA ASN 53 1.193 -8.517 -7.512 388 1HB ASN 53 1HB ASN 53 2.796 -10.321 -6.987 389 2HB ASN 53 2HB ASN 53 1.662 -11.063 -5.877 390 1HD2 ASN 53 1HD2 ASN 53 3.002 -11.485 -8.731 391 2HD2 ASN 53 2HD2 ASN 53 1.744 -12.255 -9.640 392 H GLU 54 H GLU 54 -0.190 -9.615 -4.398 393 HA GLU 54 HA GLU 54 -2.530 -10.706 -5.506 394 1HB GLU 54 1HB GLU 54 -1.795 -11.414 -3.307 395 2HB GLU 54 2HB GLU 54 -1.804 -9.769 -2.701 396 1HG GLU 54 1HG GLU 54 -3.906 -10.233 -1.950 397 2HG GLU 54 2HG GLU 54 -4.410 -10.029 -3.616 398 H VAL 55 H VAL 55 -1.863 -7.599 -3.731 399 HA VAL 55 HA VAL 55 -4.417 -6.546 -4.091 400 HB VAL 55 HB VAL 55 -3.439 -4.468 -3.413 401 1HG1 VAL 55 1HG1 VAL 55 -2.618 -6.993 -2.076 402 2HG1 VAL 55 2HG1 VAL 55 -1.808 -5.506 -1.528 403 3HG1 VAL 55 3HG1 VAL 55 -3.583 -5.628 -1.465 404 1HG2 VAL 55 1HG2 VAL 55 -0.826 -5.733 -4.255 405 2HG2 VAL 55 2HG2 VAL 55 -1.538 -4.186 -4.773 406 3HG2 VAL 55 3HG2 VAL 55 -0.888 -4.359 -3.125 407 H ASP 56 H ASP 56 -1.393 -6.268 -6.055 408 HA ASP 56 HA ASP 56 -2.287 -4.436 -7.851 409 1HB ASP 56 1HB ASP 56 0.033 -5.321 -7.745 410 2HB ASP 56 2HB ASP 56 -0.518 -6.880 -8.325 411 H ALA 57 H ALA 57 -4.231 -4.570 -8.995 412 HA ALA 57 HA ALA 57 -5.128 -7.214 -9.854 413 1HB ALA 57 1HB ALA 57 -7.171 -5.566 -10.474 414 2HB ALA 57 2HB ALA 57 -6.944 -6.242 -8.843 415 3HB ALA 57 3HB ALA 57 -6.397 -4.587 -9.204 416 H ASP 58 H ASP 58 -4.491 -3.866 -11.085 417 HA ASP 58 HA ASP 58 -5.157 -4.059 -13.621 418 1HB ASP 58 1HB ASP 58 -2.879 -2.788 -14.075 419 2HB ASP 58 2HB ASP 58 -4.114 -2.044 -13.080 420 H GLY 59 H GLY 59 -2.477 -5.748 -11.976 421 1HA GLY 59 1HA GLY 59 -1.526 -7.730 -12.681 422 2HA GLY 59 2HA GLY 59 -2.105 -7.454 -14.312 423 H ASP 60 H ASP 60 0.430 -6.689 -11.930 424 HA ASP 60 HA ASP 60 2.245 -6.246 -14.060 425 1HB ASP 60 1HB ASP 60 2.493 -3.979 -12.206 426 2HB ASP 60 2HB ASP 60 2.524 -3.984 -13.958 427 H GLY 61 H GLY 61 1.777 -5.286 -10.565 428 1HA GLY 61 1HA GLY 61 2.770 -6.946 -8.965 429 2HA GLY 61 2HA GLY 61 4.239 -6.787 -9.907 430 H THR 62 H THR 62 1.855 -4.211 -9.026 431 HA THR 62 HA THR 62 3.691 -3.114 -7.074 432 HB THR 62 HB THR 62 2.903 -1.509 -9.557 433 HG1 THR 62 HG1 THR 62 5.085 -2.057 -10.197 434 1HG2 THR 62 1HG2 THR 62 3.562 0.098 -7.965 435 2HG2 THR 62 2HG2 THR 62 4.617 -1.048 -7.104 436 3HG2 THR 62 3HG2 THR 62 5.142 -0.347 -8.653 437 H ILE 63 H ILE 63 2.722 -1.082 -6.056 438 HA ILE 63 HA ILE 63 -0.158 -1.569 -5.837 439 HB ILE 63 HB ILE 63 1.748 -0.231 -3.913 440 1HG1 ILE 63 1HG1 ILE 63 0.877 -3.056 -4.270 441 2HG1 ILE 63 2HG1 ILE 63 2.404 -2.409 -3.705 442 1HG2 ILE 63 1HG2 ILE 63 -0.129 -0.403 -2.315 443 2HG2 ILE 63 2HG2 ILE 63 -0.488 0.667 -3.692 444 3HG2 ILE 63 3HG2 ILE 63 -1.177 -0.973 -3.636 445 1HD1 ILE 63 1HD1 ILE 63 1.140 -3.518 -1.869 446 2HD1 ILE 63 2HD1 ILE 63 1.378 -1.785 -1.539 447 3HD1 ILE 63 3HD1 ILE 63 -0.201 -2.373 -2.112 448 H ASP 64 H ASP 64 -1.482 0.470 -5.324 449 HA ASP 64 HA ASP 64 -0.347 2.845 -6.468 450 1HB ASP 64 1HB ASP 64 -1.521 1.301 -8.281 451 2HB ASP 64 2HB ASP 64 -3.008 1.886 -7.560 452 H PHE 65 H PHE 65 -2.109 4.698 -6.281 453 HA PHE 65 HA PHE 65 -3.008 4.833 -3.683 454 1HB PHE 65 1HB PHE 65 -2.935 6.374 -6.099 455 2HB PHE 65 2HB PHE 65 -4.628 6.349 -5.644 456 HD1 PHE 65 HD1 PHE 65 -4.349 6.346 -2.662 457 HD2 PHE 65 HD2 PHE 65 -2.324 8.584 -5.645 458 HE1 PHE 65 HE1 PHE 65 -3.930 8.180 -1.001 459 HE2 PHE 65 HE2 PHE 65 -1.905 10.419 -3.983 460 HZ PHE 65 HZ PHE 65 -2.713 10.195 -1.681 461 HA PRO 66 HA PRO 66 -7.272 3.588 -5.330 462 1HB PRO 66 1HB PRO 66 -7.534 2.611 -7.869 463 2HB PRO 66 2HB PRO 66 -7.821 4.289 -7.454 464 1HG PRO 66 1HG PRO 66 -5.507 3.097 -8.855 465 2HG PRO 66 2HG PRO 66 -6.016 4.773 -8.805 466 1HD PRO 66 1HD PRO 66 -3.845 3.595 -7.347 467 2HD PRO 66 2HD PRO 66 -4.427 5.242 -7.211 468 H GLU 67 H GLU 67 -4.564 1.691 -6.356 469 HA GLU 67 HA GLU 67 -5.940 -0.751 -6.145 470 1HB GLU 67 1HB GLU 67 -3.040 0.076 -6.350 471 2HB GLU 67 2HB GLU 67 -3.428 -1.589 -5.965 472 1HG GLU 67 1HG GLU 67 -4.790 -1.793 -8.015 473 2HG GLU 67 2HG GLU 67 -4.560 -0.094 -8.377 474 H PHE 68 H PHE 68 -3.404 0.800 -4.038 475 HA PHE 68 HA PHE 68 -3.449 -1.001 -1.998 476 1HB PHE 68 1HB PHE 68 -2.185 1.327 -2.550 477 2HB PHE 68 2HB PHE 68 -3.417 2.009 -1.508 478 HD1 PHE 68 HD1 PHE 68 -2.231 2.654 0.392 479 HD2 PHE 68 HD2 PHE 68 -1.662 -1.253 -1.163 480 HE1 PHE 68 HE1 PHE 68 -0.860 2.052 2.407 481 HE2 PHE 68 HE2 PHE 68 -0.292 -1.856 0.852 482 HZ PHE 68 HZ PHE 68 0.093 -0.196 2.612 483 H LEU 69 H LEU 69 -5.709 1.731 -2.627 484 HA LEU 69 HA LEU 69 -7.014 1.923 -0.276 485 1HB LEU 69 1HB LEU 69 -7.391 2.776 -2.868 486 2HB LEU 69 2HB LEU 69 -8.829 1.820 -2.569 487 HG LEU 69 HG LEU 69 -8.168 3.677 -0.381 488 1HD1 LEU 69 1HD1 LEU 69 -8.439 4.662 -3.184 489 2HD1 LEU 69 2HD1 LEU 69 -9.270 5.561 -1.893 490 3HD1 LEU 69 3HD1 LEU 69 -7.508 5.319 -1.816 491 1HD2 LEU 69 1HD2 LEU 69 -10.543 2.606 -1.794 492 2HD2 LEU 69 2HD2 LEU 69 -10.255 2.879 -0.059 493 3HD2 LEU 69 3HD2 LEU 69 -10.700 4.243 -1.112 494 H THR 70 H THR 70 -7.776 -0.475 -2.898 495 HA THR 70 HA THR 70 -9.754 -1.815 -1.452 496 HB THR 70 HB THR 70 -7.897 -2.515 -3.768 497 HG1 THR 70 HG1 THR 70 -10.137 -2.350 -4.736 498 1HG2 THR 70 1HG2 THR 70 -10.342 -4.140 -3.479 499 2HG2 THR 70 2HG2 THR 70 -8.687 -4.664 -3.873 500 3HG2 THR 70 3HG2 THR 70 -9.175 -4.459 -2.173 501 H MET 71 H MET 71 -6.225 -2.560 -1.796 502 HA MET 71 HA MET 71 -6.109 -4.830 -0.406 503 1HB MET 71 1HB MET 71 -4.139 -3.722 -1.411 504 2HB MET 71 2HB MET 71 -4.255 -2.390 -0.278 505 1HG MET 71 1HG MET 71 -4.082 -5.023 1.069 506 2HG MET 71 2HG MET 71 -2.690 -4.686 0.059 507 1HE MET 71 1HE MET 71 -2.254 -4.027 3.935 508 2HE MET 71 2HE MET 71 -4.005 -3.721 3.844 509 3HE MET 71 3HE MET 71 -3.303 -5.129 3.012 510 H MET 72 H MET 72 -5.707 -1.552 1.136 511 HA MET 72 HA MET 72 -5.735 -2.540 3.717 512 1HB MET 72 1HB MET 72 -5.508 -0.034 2.384 513 2HB MET 72 2HB MET 72 -6.888 0.165 3.446 514 1HG MET 72 1HG MET 72 -4.333 -1.072 4.520 515 2HG MET 72 2HG MET 72 -4.454 0.669 4.359 516 1HE MET 72 1HE MET 72 -6.178 -2.360 6.904 517 2HE MET 72 2HE MET 72 -4.560 -2.067 6.222 518 3HE MET 72 3HE MET 72 -4.999 -1.372 7.801 519 H ALA 73 H ALA 73 -8.383 -0.775 1.939 520 HA ALA 73 HA ALA 73 -10.360 -0.905 3.742 521 1HB ALA 73 1HB ALA 73 -10.842 -1.652 0.846 522 2HB ALA 73 2HB ALA 73 -11.850 -0.656 1.923 523 3HB ALA 73 3HB ALA 73 -10.305 -0.019 1.310 524 H ARG 74 H ARG 74 -9.638 -3.537 1.334 525 HA ARG 74 HA ARG 74 -11.498 -5.279 2.368 526 1HB ARG 74 1HB ARG 74 -8.950 -5.638 0.748 527 2HB ARG 74 2HB ARG 74 -9.861 -7.045 1.261 528 1HG ARG 74 1HG ARG 74 -11.524 -4.891 0.050 529 2HG ARG 74 2HG ARG 74 -10.356 -5.599 -1.048 530 1HD ARG 74 1HD ARG 74 -11.297 -7.772 -0.868 531 2HD ARG 74 2HD ARG 74 -12.071 -7.421 0.665 532 HE ARG 74 HE ARG 74 -13.083 -6.724 -2.015 533 1HH1 ARG 74 2HH2 ARG 74 -13.357 -6.185 1.452 534 2HH1 ARG 74 1HH2 ARG 74 -14.974 -5.572 1.358 535 1HH2 ARG 74 2HH1 ARG 74 -15.217 -5.916 -2.140 536 2HH2 ARG 74 1HH1 ARG 74 -16.039 -5.418 -0.699 537 H LYS 75 H LYS 75 -8.033 -4.700 3.160 538 HA LYS 75 HA LYS 75 -7.407 -6.858 4.652 539 1HB LYS 75 1HB LYS 75 -6.017 -4.796 4.085 540 2HB LYS 75 2HB LYS 75 -6.731 -4.031 5.490 541 1HG LYS 75 1HG LYS 75 -4.752 -4.980 6.364 542 2HG LYS 75 2HG LYS 75 -5.973 -6.158 6.806 543 1HD LYS 75 1HD LYS 75 -4.972 -6.746 4.131 544 2HD LYS 75 2HD LYS 75 -3.624 -6.591 5.241 545 1HE LYS 75 1HE LYS 75 -4.675 -8.235 6.784 546 2HE LYS 75 2HE LYS 75 -6.072 -8.355 5.733 547 1HZ LYS 75 1HZ LYS 75 -3.320 -9.069 4.990 548 2HZ LYS 75 2HZ LYS 75 -4.527 -10.120 5.317 549 3HZ LYS 75 3HZ LYS 75 -4.612 -9.164 3.996 550 H MET 76 H MET 76 -8.981 -3.856 5.975 551 HA MET 76 HA MET 76 -9.381 -4.768 8.488 552 1HB MET 76 1HB MET 76 -10.942 -2.908 6.648 553 2HB MET 76 2HB MET 76 -11.547 -3.216 8.264 554 1HG MET 76 1HG MET 76 -8.700 -2.652 8.425 555 2HG MET 76 2HG MET 76 -9.473 -1.393 7.482 556 1HE MET 76 1HE MET 76 -9.720 -2.279 11.870 557 2HE MET 76 2HE MET 76 -10.675 -3.464 10.946 558 3HE MET 76 3HE MET 76 -8.954 -3.216 10.565 559 H LYS 77 H LYS 77 -11.440 -5.305 5.573 560 HA LYS 77 HA LYS 77 -13.565 -6.527 6.898 561 1HB LYS 77 1HB LYS 77 -12.907 -5.816 4.280 562 2HB LYS 77 2HB LYS 77 -13.070 -7.559 4.214 563 1HG LYS 77 1HG LYS 77 -15.327 -7.408 4.371 564 2HG LYS 77 2HG LYS 77 -15.204 -6.499 5.865 565 1HD LYS 77 1HD LYS 77 -14.546 -4.956 3.393 566 2HD LYS 77 2HD LYS 77 -16.213 -5.482 3.513 567 1HE LYS 77 1HE LYS 77 -16.128 -4.528 5.955 568 2HE LYS 77 2HE LYS 77 -14.665 -3.711 5.442 569 1HZ LYS 77 1HZ LYS 77 -15.858 -2.583 3.780 570 2HZ LYS 77 2HZ LYS 77 -17.195 -3.500 3.971 571 3HZ LYS 77 3HZ LYS 77 -16.754 -2.446 5.138 572 H ASP 78 H ASP 78 -10.670 -7.971 5.248 573 HA ASP 78 HA ASP 78 -11.299 -10.572 5.836 574 1HB ASP 78 1HB ASP 78 -8.951 -9.037 4.963 575 2HB ASP 78 2HB ASP 78 -8.476 -10.383 5.980 576 H THR 79 H THR 79 -8.900 -8.371 7.496 577 HA THR 79 HA THR 79 -8.451 -10.074 9.676 578 HB THR 79 HB THR 79 -7.073 -8.070 8.770 579 HG1 THR 79 HG1 THR 79 -6.990 -9.295 10.941 580 1HG2 THR 79 1HG2 THR 79 -9.423 -6.644 9.601 581 2HG2 THR 79 2HG2 THR 79 -8.145 -6.264 10.780 582 3HG2 THR 79 3HG2 THR 79 -7.879 -5.951 9.048 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -16.381 1.959 -0.535 2 HA ALA 1 HA ALA 1 -17.876 -0.043 0.986 3 1HB ALA 1 1HB ALA 1 -16.102 2.220 1.981 4 2HB ALA 1 2HB ALA 1 -16.697 0.821 2.907 5 3HB ALA 1 3HB ALA 1 -15.506 0.585 1.606 6 H ASP 2 H ASP 2 -19.527 0.634 2.507 7 HA ASP 2 HA ASP 2 -21.452 2.144 1.573 8 1HB ASP 2 1HB ASP 2 -21.188 0.844 3.854 9 2HB ASP 2 2HB ASP 2 -20.742 2.404 4.515 10 H GLN 3 H GLN 3 -18.769 3.324 3.736 11 HA GLN 3 HA GLN 3 -18.470 5.716 2.416 12 1HB GLN 3 1HB GLN 3 -19.463 7.330 4.014 13 2HB GLN 3 2HB GLN 3 -20.694 6.324 3.275 14 1HG GLN 3 1HG GLN 3 -21.324 5.470 5.285 15 2HG GLN 3 2HG GLN 3 -19.675 5.041 5.694 16 1HE2 GLN 3 1HE2 GLN 3 -21.279 5.863 7.658 17 2HE2 GLN 3 2HE2 GLN 3 -20.869 7.447 8.225 18 H LEU 4 H LEU 4 -16.909 3.571 3.551 19 HA LEU 4 HA LEU 4 -15.696 4.744 5.920 20 1HB LEU 4 1HB LEU 4 -15.164 2.675 6.482 21 2HB LEU 4 2HB LEU 4 -16.266 2.172 5.216 22 HG LEU 4 HG LEU 4 -14.241 2.211 3.642 23 1HD1 LEU 4 1HD1 LEU 4 -12.986 3.253 5.947 24 2HD1 LEU 4 2HD1 LEU 4 -12.313 1.626 5.689 25 3HD1 LEU 4 3HD1 LEU 4 -12.247 2.833 4.383 26 1HD2 LEU 4 1HD2 LEU 4 -14.038 0.149 5.835 27 2HD2 LEU 4 2HD2 LEU 4 -15.403 0.191 4.694 28 3HD2 LEU 4 3HD2 LEU 4 -13.745 -0.038 4.089 29 H THR 5 H THR 5 -15.141 4.189 2.443 30 HA THR 5 HA THR 5 -12.396 4.704 2.398 31 HB THR 5 HB THR 5 -14.139 3.815 0.596 32 HG1 THR 5 HG1 THR 5 -12.500 4.741 -0.994 33 1HG2 THR 5 1HG2 THR 5 -14.146 6.843 0.245 34 2HG2 THR 5 2HG2 THR 5 -14.330 5.756 -1.153 35 3HG2 THR 5 3HG2 THR 5 -15.527 5.723 0.165 36 H GLU 6 H GLU 6 -15.102 6.815 3.031 37 HA GLU 6 HA GLU 6 -13.998 9.176 2.101 38 1HB GLU 6 1HB GLU 6 -16.396 8.715 2.898 39 2HB GLU 6 2HB GLU 6 -15.802 8.894 4.537 40 1HG GLU 6 1HG GLU 6 -15.881 11.153 4.369 41 2HG GLU 6 2HG GLU 6 -14.818 11.123 2.975 42 H GLU 7 H GLU 7 -14.011 7.767 5.457 43 HA GLU 7 HA GLU 7 -12.253 9.750 6.401 44 1HB GLU 7 1HB GLU 7 -12.178 8.345 8.458 45 2HB GLU 7 2HB GLU 7 -13.818 8.629 7.910 46 1HG GLU 7 1HG GLU 7 -14.184 6.415 7.455 47 2HG GLU 7 2HG GLU 7 -12.615 6.211 6.701 48 H GLN 8 H GLN 8 -11.890 6.578 4.868 49 HA GLN 8 HA GLN 8 -9.256 6.147 5.737 50 1HB GLN 8 1HB GLN 8 -11.213 4.855 3.979 51 2HB GLN 8 2HB GLN 8 -9.601 4.771 3.296 52 1HG GLN 8 1HG GLN 8 -10.476 3.815 6.058 53 2HG GLN 8 2HG GLN 8 -9.927 2.821 4.723 54 1HE2 GLN 8 1HE2 GLN 8 -8.864 2.885 7.354 55 2HE2 GLN 8 2HE2 GLN 8 -7.209 3.391 7.278 56 H ILE 9 H ILE 9 -10.599 7.120 2.492 57 HA ILE 9 HA ILE 9 -8.199 7.647 1.276 58 HB ILE 9 HB ILE 9 -9.463 8.987 -0.281 59 1HG1 ILE 9 1HG1 ILE 9 -12.076 9.061 0.451 60 2HG1 ILE 9 2HG1 ILE 9 -11.318 9.282 2.016 61 1HG2 ILE 9 1HG2 ILE 9 -11.515 7.278 -0.456 62 2HG2 ILE 9 2HG2 ILE 9 -9.845 6.836 -0.885 63 3HG2 ILE 9 3HG2 ILE 9 -10.506 6.383 0.705 64 1HD1 ILE 9 1HD1 ILE 9 -10.490 11.355 1.479 65 2HD1 ILE 9 2HD1 ILE 9 -10.111 10.880 -0.194 66 3HD1 ILE 9 3HD1 ILE 9 -11.777 11.321 0.250 67 H ALA 10 H ALA 10 -9.971 9.506 3.720 68 HA ALA 10 HA ALA 10 -8.836 11.995 3.334 69 1HB ALA 10 1HB ALA 10 -9.398 10.798 6.059 70 2HB ALA 10 2HB ALA 10 -9.640 12.472 5.502 71 3HB ALA 10 3HB ALA 10 -10.716 11.177 4.924 72 H GLU 11 H GLU 11 -7.743 9.376 5.615 73 HA GLU 11 HA GLU 11 -5.340 10.733 6.140 74 1HB GLU 11 1HB GLU 11 -6.416 7.968 6.746 75 2HB GLU 11 2HB GLU 11 -4.741 8.345 7.096 76 1HG GLU 11 1HG GLU 11 -5.276 9.731 8.850 77 2HG GLU 11 2HG GLU 11 -6.651 10.428 8.017 78 H PHE 12 H PHE 12 -6.275 7.952 4.031 79 HA PHE 12 HA PHE 12 -3.825 7.111 3.218 80 1HB PHE 12 1HB PHE 12 -6.625 7.135 2.328 81 2HB PHE 12 2HB PHE 12 -5.583 7.291 0.927 82 HD1 PHE 12 HD1 PHE 12 -5.611 5.264 4.074 83 HD2 PHE 12 HD2 PHE 12 -5.104 5.317 -0.138 84 HE1 PHE 12 HE1 PHE 12 -5.216 2.785 4.091 85 HE2 PHE 12 HE2 PHE 12 -4.710 2.838 -0.122 86 HZ PHE 12 HZ PHE 12 -4.770 1.602 1.992 87 H LYS 13 H LYS 13 -5.640 10.026 2.163 88 HA LYS 13 HA LYS 13 -4.104 10.644 -0.062 89 1HB LYS 13 1HB LYS 13 -6.332 11.643 0.878 90 2HB LYS 13 2HB LYS 13 -5.280 12.754 1.732 91 1HG LYS 13 1HG LYS 13 -5.170 13.992 -0.166 92 2HG LYS 13 2HG LYS 13 -4.227 12.702 -0.885 93 1HD LYS 13 1HD LYS 13 -5.908 12.297 -2.346 94 2HD LYS 13 2HD LYS 13 -6.951 11.848 -1.012 95 1HE LYS 13 1HE LYS 13 -8.184 13.616 -1.898 96 2HE LYS 13 2HE LYS 13 -7.223 14.487 -0.720 97 1HZ LYS 13 1HZ LYS 13 -5.626 14.459 -2.861 98 2HZ LYS 13 2HZ LYS 13 -7.094 14.573 -3.566 99 3HZ LYS 13 3HZ LYS 13 -6.627 15.688 -2.469 100 H GLU 14 H GLU 14 -3.727 11.680 3.395 101 HA GLU 14 HA GLU 14 -1.359 13.080 2.832 102 1HB GLU 14 1HB GLU 14 -3.083 12.572 5.116 103 2HB GLU 14 2HB GLU 14 -1.410 12.359 5.593 104 1HG GLU 14 1HG GLU 14 -1.873 14.741 3.875 105 2HG GLU 14 2HG GLU 14 -2.718 14.802 5.409 106 H ALA 15 H ALA 15 -2.157 9.729 3.718 107 HA ALA 15 HA ALA 15 0.429 8.981 4.552 108 1HB ALA 15 1HB ALA 15 -0.456 6.784 4.565 109 2HB ALA 15 2HB ALA 15 -1.852 7.827 4.927 110 3HB ALA 15 3HB ALA 15 -1.640 7.160 3.291 111 H PHE 16 H PHE 16 -1.298 8.979 1.386 112 HA PHE 16 HA PHE 16 0.268 7.534 -0.191 113 1HB PHE 16 1HB PHE 16 -1.663 8.953 -0.908 114 2HB PHE 16 2HB PHE 16 -0.754 10.412 -0.565 115 HD1 PHE 16 HD1 PHE 16 -0.193 7.298 -2.567 116 HD2 PHE 16 HD2 PHE 16 -0.042 11.537 -2.433 117 HE1 PHE 16 HE1 PHE 16 0.629 7.344 -4.938 118 HE2 PHE 16 HE2 PHE 16 0.780 11.582 -4.804 119 HZ PHE 16 HZ PHE 16 1.106 9.485 -6.028 120 H SER 17 H SER 17 1.112 10.769 1.148 121 HA SER 17 HA SER 17 3.313 11.276 -0.370 122 1HB SER 17 1HB SER 17 2.085 12.362 1.921 123 2HB SER 17 2HB SER 17 3.719 12.007 2.446 124 HG SER 17 HG SER 17 2.910 13.646 0.204 125 H LEU 18 H LEU 18 3.129 9.536 2.820 126 HA LEU 18 HA LEU 18 5.882 8.864 2.786 127 1HB LEU 18 1HB LEU 18 3.578 7.754 4.395 128 2HB LEU 18 2HB LEU 18 5.273 7.424 4.694 129 HG LEU 18 HG LEU 18 4.178 10.239 4.720 130 1HD1 LEU 18 1HD1 LEU 18 3.956 10.055 7.160 131 2HD1 LEU 18 2HD1 LEU 18 2.841 8.963 6.303 132 3HD1 LEU 18 3HD1 LEU 18 4.317 8.315 7.058 133 1HD2 LEU 18 1HD2 LEU 18 6.615 9.972 4.537 134 2HD2 LEU 18 2HD2 LEU 18 6.135 10.719 6.080 135 3HD2 LEU 18 3HD2 LEU 18 6.616 9.005 6.031 136 H PHE 19 H PHE 19 2.872 6.868 2.349 137 HA PHE 19 HA PHE 19 3.993 4.510 1.712 138 1HB PHE 19 1HB PHE 19 1.624 6.084 0.568 139 2HB PHE 19 2HB PHE 19 1.911 4.430 0.066 140 HD1 PHE 19 HD1 PHE 19 -0.367 5.933 1.776 141 HD2 PHE 19 HD2 PHE 19 2.788 3.235 2.655 142 HE1 PHE 19 HE1 PHE 19 -1.633 5.105 3.779 143 HE2 PHE 19 HE2 PHE 19 1.522 2.407 4.658 144 HZ PHE 19 HZ PHE 19 -0.674 3.352 5.196 145 H ASP 20 H ASP 20 3.501 7.316 -0.519 146 HA ASP 20 HA ASP 20 4.924 5.822 -2.549 147 1HB ASP 20 1HB ASP 20 2.755 7.062 -3.052 148 2HB ASP 20 2HB ASP 20 3.592 8.565 -2.723 149 H LYS 21 H LYS 21 6.555 6.524 -0.384 150 HA LYS 21 HA LYS 21 7.658 8.959 -0.163 151 1HB LYS 21 1HB LYS 21 9.809 7.733 0.359 152 2HB LYS 21 2HB LYS 21 8.394 7.234 1.264 153 1HG LYS 21 1HG LYS 21 8.114 5.473 -0.725 154 2HG LYS 21 2HG LYS 21 9.821 5.782 -0.974 155 1HD LYS 21 1HD LYS 21 9.890 3.994 0.544 156 2HD LYS 21 2HD LYS 21 10.039 5.368 1.621 157 1HE LYS 21 1HE LYS 21 7.223 4.884 1.201 158 2HE LYS 21 2HE LYS 21 7.978 3.348 1.578 159 1HZ LYS 21 1HZ LYS 21 8.957 5.412 3.236 160 2HZ LYS 21 2HZ LYS 21 7.332 5.294 3.348 161 3HZ LYS 21 3HZ LYS 21 8.268 3.991 3.653 162 H ASP 22 H ASP 22 8.334 6.542 -2.758 163 HA ASP 22 HA ASP 22 10.394 7.754 -3.981 164 1HB ASP 22 1HB ASP 22 8.270 5.893 -4.705 165 2HB ASP 22 2HB ASP 22 8.617 6.937 -6.068 166 H GLY 23 H GLY 23 6.839 8.265 -4.628 167 1HA GLY 23 1HA GLY 23 5.789 10.272 -5.040 168 2HA GLY 23 2HA GLY 23 7.337 11.064 -5.255 169 H ASP 24 H ASP 24 6.057 8.054 -6.818 170 HA ASP 24 HA ASP 24 6.239 9.501 -9.343 171 1HB ASP 24 1HB ASP 24 6.685 7.019 -10.217 172 2HB ASP 24 2HB ASP 24 8.000 8.015 -9.626 173 H GLY 25 H GLY 25 3.952 8.978 -7.422 174 1HA GLY 25 1HA GLY 25 1.829 8.235 -7.413 175 2HA GLY 25 2HA GLY 25 1.905 8.396 -9.156 176 H THR 26 H THR 26 4.098 6.179 -7.440 177 HA THR 26 HA THR 26 2.378 3.900 -7.957 178 HB THR 26 HB THR 26 4.436 2.875 -9.247 179 HG1 THR 26 HG1 THR 26 5.838 4.706 -8.776 180 1HG2 THR 26 1HG2 THR 26 3.327 5.129 -10.889 181 2HG2 THR 26 2HG2 THR 26 3.414 3.393 -11.269 182 3HG2 THR 26 3HG2 THR 26 2.129 4.006 -10.201 183 H ILE 27 H ILE 27 2.385 2.783 -6.120 184 HA ILE 27 HA ILE 27 4.618 3.092 -4.323 185 HB ILE 27 HB ILE 27 1.858 1.987 -4.198 186 1HG1 ILE 27 1HG1 ILE 27 2.043 3.308 -1.974 187 2HG1 ILE 27 2HG1 ILE 27 3.522 3.966 -2.646 188 1HG2 ILE 27 1HG2 ILE 27 3.119 0.123 -3.328 189 2HG2 ILE 27 2HG2 ILE 27 4.067 1.204 -2.279 190 3HG2 ILE 27 3HG2 ILE 27 2.326 0.980 -1.984 191 1HD1 ILE 27 1HD1 ILE 27 1.036 3.972 -4.362 192 2HD1 ILE 27 2HD1 ILE 27 1.198 5.183 -3.067 193 3HD1 ILE 27 3HD1 ILE 27 2.412 5.101 -4.366 194 H THR 28 H THR 28 6.445 2.000 -4.882 195 HA THR 28 HA THR 28 6.262 -0.544 -6.213 196 HB THR 28 HB THR 28 8.560 1.176 -5.146 197 HG1 THR 28 HG1 THR 28 8.521 1.833 -7.321 198 1HG2 THR 28 1HG2 THR 28 9.115 -0.764 -7.305 199 2HG2 THR 28 2HG2 THR 28 10.064 -0.412 -5.840 200 3HG2 THR 28 3HG2 THR 28 8.708 -1.563 -5.767 201 H THR 29 H THR 29 7.034 -2.569 -5.440 202 HA THR 29 HA THR 29 6.068 -3.383 -3.051 203 HB THR 29 HB THR 29 7.466 -5.360 -3.412 204 HG1 THR 29 HG1 THR 29 9.518 -4.958 -4.149 205 1HG2 THR 29 1HG2 THR 29 5.919 -4.299 -5.473 206 2HG2 THR 29 2HG2 THR 29 7.506 -4.495 -6.256 207 3HG2 THR 29 3HG2 THR 29 6.698 -5.898 -5.515 208 H LYS 30 H LYS 30 9.087 -1.612 -3.620 209 HA LYS 30 HA LYS 30 10.182 -2.182 -1.070 210 1HB LYS 30 1HB LYS 30 10.772 -0.190 -3.253 211 2HB LYS 30 2HB LYS 30 11.585 -0.087 -1.705 212 1HG LYS 30 1HG LYS 30 12.405 -2.412 -1.938 213 2HG LYS 30 2HG LYS 30 11.510 -2.607 -3.432 214 1HD LYS 30 1HD LYS 30 12.865 -0.865 -4.531 215 2HD LYS 30 2HD LYS 30 13.686 -0.502 -3.025 216 1HE LYS 30 1HE LYS 30 14.185 -3.186 -3.164 217 2HE LYS 30 2HE LYS 30 14.051 -2.834 -4.875 218 1HZ LYS 30 1HZ LYS 30 16.094 -2.064 -4.738 219 2HZ LYS 30 2HZ LYS 30 15.567 -0.821 -3.819 220 3HZ LYS 30 3HZ LYS 30 16.130 -2.180 -3.109 221 H GLU 31 H GLU 31 8.186 0.486 -2.455 222 HA GLU 31 HA GLU 31 8.275 2.143 -0.282 223 1HB GLU 31 1HB GLU 31 6.467 1.729 -2.609 224 2HB GLU 31 2HB GLU 31 5.731 2.561 -1.253 225 1HG GLU 31 1HG GLU 31 6.803 4.469 -1.834 226 2HG GLU 31 2HG GLU 31 8.349 3.685 -1.578 227 H LEU 32 H LEU 32 6.376 -0.821 -0.865 228 HA LEU 32 HA LEU 32 4.598 -0.410 1.309 229 1HB LEU 32 1HB LEU 32 4.003 -1.771 -0.595 230 2HB LEU 32 2HB LEU 32 5.343 -2.859 -0.293 231 HG LEU 32 HG LEU 32 4.302 -3.534 1.853 232 1HD1 LEU 32 1HD1 LEU 32 2.874 -2.073 2.762 233 2HD1 LEU 32 2HD1 LEU 32 2.493 -1.318 1.195 234 3HD1 LEU 32 3HD1 LEU 32 1.660 -2.811 1.690 235 1HD2 LEU 32 1HD2 LEU 32 3.190 -4.023 -0.822 236 2HD2 LEU 32 2HD2 LEU 32 3.686 -5.165 0.450 237 3HD2 LEU 32 3HD2 LEU 32 2.077 -4.407 0.513 238 H GLY 33 H GLY 33 7.403 -2.680 0.834 239 1HA GLY 33 1HA GLY 33 7.525 -3.601 3.449 240 2HA GLY 33 2HA GLY 33 8.856 -3.551 2.310 241 H THR 34 H THR 34 8.729 -0.570 1.967 242 HA THR 34 HA THR 34 10.473 0.106 4.096 243 HB THR 34 HB THR 34 9.099 1.734 1.895 244 HG1 THR 34 HG1 THR 34 10.739 0.760 0.775 245 1HG2 THR 34 1HG2 THR 34 10.114 3.057 3.912 246 2HG2 THR 34 2HG2 THR 34 11.681 2.411 3.368 247 3HG2 THR 34 3HG2 THR 34 10.725 3.454 2.288 248 H VAL 35 H VAL 35 7.163 1.319 3.228 249 HA VAL 35 HA VAL 35 6.840 2.933 5.422 250 HB VAL 35 HB VAL 35 4.812 1.280 3.905 251 1HG1 VAL 35 1HG1 VAL 35 3.397 1.947 5.524 252 2HG1 VAL 35 2HG1 VAL 35 4.529 3.171 6.147 253 3HG1 VAL 35 3HG1 VAL 35 3.500 3.543 4.742 254 1HG2 VAL 35 1HG2 VAL 35 5.002 4.176 3.400 255 2HG2 VAL 35 2HG2 VAL 35 6.453 3.257 2.933 256 3HG2 VAL 35 3HG2 VAL 35 4.865 2.816 2.260 257 H MET 36 H MET 36 6.037 -0.583 5.053 258 HA MET 36 HA MET 36 4.830 -1.130 7.325 259 1HB MET 36 1HB MET 36 7.165 -2.595 5.992 260 2HB MET 36 2HB MET 36 6.257 -3.319 7.305 261 1HG MET 36 1HG MET 36 4.798 -2.216 4.879 262 2HG MET 36 2HG MET 36 5.533 -3.806 4.812 263 1HE MET 36 1HE MET 36 2.850 -5.275 4.771 264 2HE MET 36 2HE MET 36 1.647 -4.052 5.246 265 3HE MET 36 3HE MET 36 2.955 -3.622 4.118 266 H ARG 37 H ARG 37 8.462 -1.037 7.057 267 HA ARG 37 HA ARG 37 8.938 -1.451 9.712 268 1HB ARG 37 1HB ARG 37 10.473 -0.057 7.496 269 2HB ARG 37 2HB ARG 37 11.121 -0.037 9.124 270 1HG ARG 37 1HG ARG 37 11.822 -2.191 8.953 271 2HG ARG 37 2HG ARG 37 10.230 -2.733 8.462 272 1HD ARG 37 1HD ARG 37 11.493 -3.259 6.555 273 2HD ARG 37 2HD ARG 37 10.866 -1.682 6.116 274 HE ARG 37 HE ARG 37 13.024 -0.725 6.446 275 1HH1 ARG 37 2HH2 ARG 37 12.979 -4.130 7.334 276 2HH1 ARG 37 1HH2 ARG 37 14.704 -4.271 7.387 277 1HH2 ARG 37 2HH1 ARG 37 15.300 -0.910 6.515 278 2HH2 ARG 37 1HH1 ARG 37 16.034 -2.427 6.918 279 H SER 38 H SER 38 8.360 1.602 7.875 280 HA SER 38 HA SER 38 9.065 3.486 9.592 281 1HB SER 38 1HB SER 38 7.818 3.686 7.344 282 2HB SER 38 2HB SER 38 6.330 3.524 8.256 283 HG SER 38 HG SER 38 6.550 5.684 8.323 284 H LEU 39 H LEU 39 6.462 1.124 10.016 285 HA LEU 39 HA LEU 39 5.293 2.564 12.224 286 1HB LEU 39 1HB LEU 39 4.753 -0.141 10.998 287 2HB LEU 39 2HB LEU 39 3.881 0.495 12.379 288 HG LEU 39 HG LEU 39 3.993 1.882 9.689 289 1HD1 LEU 39 1HD1 LEU 39 1.578 0.384 10.644 290 2HD1 LEU 39 2HD1 LEU 39 2.066 0.834 8.992 291 3HD1 LEU 39 3HD1 LEU 39 2.900 -0.493 9.836 292 1HD2 LEU 39 1HD2 LEU 39 1.757 2.345 11.570 293 2HD2 LEU 39 2HD2 LEU 39 3.344 2.970 12.080 294 3HD2 LEU 39 3HD2 LEU 39 2.644 3.481 10.525 295 H GLY 40 H GLY 40 7.255 -0.429 11.677 296 1HA GLY 40 1HA GLY 40 8.959 -0.215 13.760 297 2HA GLY 40 2HA GLY 40 7.527 -0.883 14.518 298 H GLN 41 H GLN 41 6.495 -2.502 12.404 299 HA GLN 41 HA GLN 41 7.747 -4.835 12.817 300 1HB GLN 41 1HB GLN 41 6.693 -5.508 10.530 301 2HB GLN 41 2HB GLN 41 5.626 -4.956 11.806 302 1HG GLN 41 1HG GLN 41 6.396 -2.578 10.505 303 2HG GLN 41 2HG GLN 41 6.203 -3.724 9.194 304 1HE2 GLN 41 1HE2 GLN 41 4.637 -2.625 12.189 305 2HE2 GLN 41 2HE2 GLN 41 2.999 -2.739 11.640 306 H ASN 42 H ASN 42 8.766 -6.266 10.896 307 HA ASN 42 HA ASN 42 10.623 -4.658 9.381 308 1HB ASN 42 1HB ASN 42 11.580 -7.021 11.070 309 2HB ASN 42 2HB ASN 42 12.580 -5.911 10.154 310 1HD2 ASN 42 1HD2 ASN 42 12.059 -3.507 10.709 311 2HD2 ASN 42 2HD2 ASN 42 12.059 -3.111 12.395 312 HA PRO 43 HA PRO 43 8.898 -8.481 7.426 313 1HB PRO 43 1HB PRO 43 7.324 -7.333 5.510 314 2HB PRO 43 2HB PRO 43 6.707 -7.877 7.057 315 1HG PRO 43 1HG PRO 43 7.227 -5.117 6.136 316 2HG PRO 43 2HG PRO 43 6.236 -5.658 7.476 317 1HD PRO 43 1HD PRO 43 8.860 -4.510 7.636 318 2HD PRO 43 2HD PRO 43 7.917 -5.158 8.963 319 H THR 44 H THR 44 9.012 -9.250 5.067 320 HA THR 44 HA THR 44 11.363 -7.882 3.931 321 HB THR 44 HB THR 44 11.594 -10.344 2.916 322 HG1 THR 44 HG1 THR 44 9.931 -11.524 3.784 323 1HG2 THR 44 1HG2 THR 44 13.335 -9.772 4.429 324 2HG2 THR 44 2HG2 THR 44 12.195 -9.435 5.753 325 3HG2 THR 44 3HG2 THR 44 12.529 -11.116 5.273 326 H GLU 45 H GLU 45 11.412 -7.346 1.773 327 HA GLU 45 HA GLU 45 9.021 -6.743 0.603 328 1HB GLU 45 1HB GLU 45 10.333 -6.272 -1.428 329 2HB GLU 45 2HB GLU 45 11.181 -5.701 -0.005 330 1HG GLU 45 1HG GLU 45 12.961 -7.022 -0.480 331 2HG GLU 45 2HG GLU 45 11.949 -8.452 -0.462 332 H ALA 46 H ALA 46 10.643 -9.807 0.840 333 HA ALA 46 HA ALA 46 9.698 -10.986 -1.539 334 1HB ALA 46 1HB ALA 46 10.108 -12.680 0.873 335 2HB ALA 46 2HB ALA 46 10.809 -12.819 -0.757 336 3HB ALA 46 3HB ALA 46 11.484 -11.653 0.405 337 H GLU 47 H GLU 47 8.555 -11.268 1.907 338 HA GLU 47 HA GLU 47 6.310 -12.721 1.299 339 1HB GLU 47 1HB GLU 47 7.211 -11.010 3.588 340 2HB GLU 47 2HB GLU 47 5.503 -11.397 3.532 341 1HG GLU 47 1HG GLU 47 7.475 -13.638 3.085 342 2HG GLU 47 2HG GLU 47 7.280 -13.030 4.717 343 H LEU 48 H LEU 48 6.890 -9.180 1.293 344 HA LEU 48 HA LEU 48 4.160 -8.499 0.955 345 1HB LEU 48 1HB LEU 48 6.779 -7.058 0.693 346 2HB LEU 48 2HB LEU 48 5.291 -6.300 0.161 347 HG LEU 48 HG LEU 48 5.912 -5.601 2.419 348 1HD1 LEU 48 1HD1 LEU 48 3.635 -6.866 3.436 349 2HD1 LEU 48 2HD1 LEU 48 3.719 -5.297 2.598 350 3HD1 LEU 48 3HD1 LEU 48 3.371 -6.780 1.677 351 1HD2 LEU 48 1HD2 LEU 48 5.737 -7.238 4.304 352 2HD2 LEU 48 2HD2 LEU 48 5.697 -8.544 3.096 353 3HD2 LEU 48 3HD2 LEU 48 7.129 -7.495 3.225 354 H GLN 49 H GLN 49 6.802 -9.511 -1.174 355 HA GLN 49 HA GLN 49 5.961 -8.482 -3.541 356 1HB GLN 49 1HB GLN 49 8.064 -9.831 -3.064 357 2HB GLN 49 2HB GLN 49 7.091 -11.286 -3.149 358 1HG GLN 49 1HG GLN 49 6.439 -10.758 -5.480 359 2HG GLN 49 2HG GLN 49 7.303 -9.235 -5.404 360 1HE2 GLN 49 1HE2 GLN 49 8.063 -10.625 -7.399 361 2HE2 GLN 49 2HE2 GLN 49 9.560 -11.467 -7.176 362 H ASP 50 H ASP 50 4.715 -11.307 -1.719 363 HA ASP 50 HA ASP 50 3.117 -12.248 -3.818 364 1HB ASP 50 1HB ASP 50 3.901 -13.407 -1.596 365 2HB ASP 50 2HB ASP 50 2.520 -12.620 -0.859 366 H MET 51 H MET 51 2.790 -9.841 -1.202 367 HA MET 51 HA MET 51 -0.011 -9.657 -1.318 368 1HB MET 51 1HB MET 51 2.295 -8.191 -0.078 369 2HB MET 51 2HB MET 51 0.861 -7.215 -0.327 370 1HG MET 51 1HG MET 51 -0.300 -8.286 1.332 371 2HG MET 51 2HG MET 51 0.226 -9.872 0.804 372 1HE MET 51 1HE MET 51 2.660 -11.118 2.282 373 2HE MET 51 2HE MET 51 1.753 -10.831 3.786 374 3HE MET 51 3HE MET 51 0.880 -11.129 2.264 375 H ILE 52 H ILE 52 2.616 -7.428 -2.503 376 HA ILE 52 HA ILE 52 1.053 -5.597 -3.763 377 HB ILE 52 HB ILE 52 3.030 -5.289 -5.285 378 1HG1 ILE 52 1HG1 ILE 52 5.073 -6.658 -4.205 379 2HG1 ILE 52 2HG1 ILE 52 3.810 -7.851 -3.976 380 1HG2 ILE 52 1HG2 ILE 52 3.540 -5.418 -2.301 381 2HG2 ILE 52 2HG2 ILE 52 4.493 -4.492 -3.484 382 3HG2 ILE 52 3HG2 ILE 52 2.789 -4.071 -3.190 383 1HD1 ILE 52 1HD1 ILE 52 5.236 -7.345 -6.356 384 2HD1 ILE 52 2HD1 ILE 52 3.791 -8.371 -6.182 385 3HD1 ILE 52 3HD1 ILE 52 3.618 -6.660 -6.641 386 H ASN 53 H ASN 53 2.243 -8.755 -5.072 387 HA ASN 53 HA ASN 53 1.180 -8.430 -7.586 388 1HB ASN 53 1HB ASN 53 2.671 -10.361 -6.340 389 2HB ASN 53 2HB ASN 53 1.122 -11.180 -6.362 390 1HD2 ASN 53 1HD2 ASN 53 3.142 -12.264 -7.730 391 2HD2 ASN 53 2HD2 ASN 53 2.933 -12.111 -9.442 392 H GLU 54 H GLU 54 -0.204 -9.534 -4.465 393 HA GLU 54 HA GLU 54 -2.557 -10.590 -5.572 394 1HB GLU 54 1HB GLU 54 -1.803 -11.307 -3.374 395 2HB GLU 54 2HB GLU 54 -1.835 -9.666 -2.761 396 1HG GLU 54 1HG GLU 54 -3.915 -10.243 -1.991 397 2HG GLU 54 2HG GLU 54 -4.424 -9.883 -3.629 398 H VAL 55 H VAL 55 -1.937 -7.540 -3.676 399 HA VAL 55 HA VAL 55 -4.456 -6.456 -4.061 400 HB VAL 55 HB VAL 55 -3.550 -4.479 -3.212 401 1HG1 VAL 55 1HG1 VAL 55 -1.410 -5.933 -1.907 402 2HG1 VAL 55 2HG1 VAL 55 -2.967 -5.373 -1.251 403 3HG1 VAL 55 3HG1 VAL 55 -2.861 -6.953 -2.064 404 1HG2 VAL 55 1HG2 VAL 55 -1.855 -4.018 -4.872 405 2HG2 VAL 55 2HG2 VAL 55 -1.111 -3.950 -3.256 406 3HG2 VAL 55 3HG2 VAL 55 -0.858 -5.374 -4.293 407 H ASP 56 H ASP 56 -1.421 -6.111 -6.004 408 HA ASP 56 HA ASP 56 -2.231 -4.258 -7.766 409 1HB ASP 56 1HB ASP 56 0.014 -5.329 -7.736 410 2HB ASP 56 2HB ASP 56 -0.674 -6.822 -8.345 411 H ALA 57 H ALA 57 -4.226 -4.218 -8.832 412 HA ALA 57 HA ALA 57 -5.335 -6.760 -9.746 413 1HB ALA 57 1HB ALA 57 -6.829 -4.195 -10.041 414 2HB ALA 57 2HB ALA 57 -7.389 -5.788 -9.475 415 3HB ALA 57 3HB ALA 57 -6.482 -4.721 -8.376 416 H ASP 58 H ASP 58 -4.489 -3.430 -10.900 417 HA ASP 58 HA ASP 58 -5.238 -3.618 -13.457 418 1HB ASP 58 1HB ASP 58 -3.287 -2.104 -13.976 419 2HB ASP 58 2HB ASP 58 -4.220 -1.597 -12.582 420 H GLY 59 H GLY 59 -2.544 -5.248 -11.793 421 1HA GLY 59 1HA GLY 59 -1.490 -7.168 -12.497 422 2HA GLY 59 2HA GLY 59 -2.085 -6.923 -14.127 423 H ASP 60 H ASP 60 0.642 -6.735 -12.098 424 HA ASP 60 HA ASP 60 2.344 -6.045 -14.101 425 1HB ASP 60 1HB ASP 60 3.069 -3.737 -13.348 426 2HB ASP 60 2HB ASP 60 1.496 -3.782 -14.119 427 H GLY 61 H GLY 61 1.666 -5.273 -10.605 428 1HA GLY 61 1HA GLY 61 2.755 -6.750 -8.979 429 2HA GLY 61 2HA GLY 61 4.232 -6.573 -9.905 430 H THR 62 H THR 62 1.799 -4.008 -9.160 431 HA THR 62 HA THR 62 3.590 -2.839 -7.194 432 HB THR 62 HB THR 62 2.742 -1.298 -9.698 433 HG1 THR 62 HG1 THR 62 4.300 -2.824 -10.362 434 1HG2 THR 62 1HG2 THR 62 4.409 0.315 -8.979 435 2HG2 THR 62 2HG2 THR 62 3.392 -0.014 -7.556 436 3HG2 THR 62 3HG2 THR 62 4.996 -0.774 -7.699 437 H ILE 63 H ILE 63 2.576 -0.968 -6.069 438 HA ILE 63 HA ILE 63 -0.299 -1.473 -5.912 439 HB ILE 63 HB ILE 63 1.207 0.129 -3.897 440 1HG1 ILE 63 1HG1 ILE 63 1.458 -2.857 -4.286 441 2HG1 ILE 63 2HG1 ILE 63 2.737 -1.669 -4.133 442 1HG2 ILE 63 1HG2 ILE 63 -0.725 -0.046 -2.827 443 2HG2 ILE 63 2HG2 ILE 63 -1.389 -1.025 -4.157 444 3HG2 ILE 63 3HG2 ILE 63 -0.555 -1.818 -2.799 445 1HD1 ILE 63 1HD1 ILE 63 1.493 -1.195 -1.779 446 2HD1 ILE 63 2HD1 ILE 63 1.013 -2.894 -2.006 447 3HD1 ILE 63 3HD1 ILE 63 2.737 -2.454 -1.958 448 H ASP 64 H ASP 64 -1.431 0.737 -4.998 449 HA ASP 64 HA ASP 64 -0.411 3.081 -6.177 450 1HB ASP 64 1HB ASP 64 -1.434 1.686 -8.136 451 2HB ASP 64 2HB ASP 64 -2.990 2.032 -7.408 452 H PHE 65 H PHE 65 -2.346 4.849 -6.075 453 HA PHE 65 HA PHE 65 -3.226 4.998 -3.490 454 1HB PHE 65 1HB PHE 65 -3.457 6.371 -6.035 455 2HB PHE 65 2HB PHE 65 -5.075 6.277 -5.369 456 HD1 PHE 65 HD1 PHE 65 -4.568 6.553 -2.482 457 HD2 PHE 65 HD2 PHE 65 -2.810 8.583 -5.767 458 HE1 PHE 65 HE1 PHE 65 -4.074 8.519 -1.002 459 HE2 PHE 65 HE2 PHE 65 -2.315 10.549 -4.288 460 HZ PHE 65 HZ PHE 65 -2.953 10.494 -1.923 461 HA PRO 66 HA PRO 66 -7.384 3.254 -4.930 462 1HB PRO 66 1HB PRO 66 -7.653 2.207 -7.439 463 2HB PRO 66 2HB PRO 66 -8.096 3.854 -7.036 464 1HG PRO 66 1HG PRO 66 -5.733 2.882 -8.523 465 2HG PRO 66 2HG PRO 66 -6.412 4.496 -8.475 466 1HD PRO 66 1HD PRO 66 -4.068 3.579 -7.100 467 2HD PRO 66 2HD PRO 66 -4.813 5.159 -6.962 468 H GLU 67 H GLU 67 -4.583 1.598 -6.156 469 HA GLU 67 HA GLU 67 -5.659 -0.955 -5.838 470 1HB GLU 67 1HB GLU 67 -2.890 0.196 -6.151 471 2HB GLU 67 2HB GLU 67 -3.040 -1.483 -5.671 472 1HG GLU 67 1HG GLU 67 -4.563 -1.870 -7.658 473 2HG GLU 67 2HG GLU 67 -4.281 -0.214 -8.158 474 H PHE 68 H PHE 68 -3.251 0.859 -3.791 475 HA PHE 68 HA PHE 68 -3.112 -0.940 -1.737 476 1HB PHE 68 1HB PHE 68 -2.036 1.482 -2.359 477 2HB PHE 68 2HB PHE 68 -3.256 2.061 -1.241 478 HD1 PHE 68 HD1 PHE 68 -2.018 2.769 0.602 479 HD2 PHE 68 HD2 PHE 68 -1.254 -1.069 -1.040 480 HE1 PHE 68 HE1 PHE 68 -0.499 2.245 2.531 481 HE2 PHE 68 HE2 PHE 68 0.264 -1.593 0.889 482 HZ PHE 68 HZ PHE 68 0.623 0.071 2.651 483 H LEU 69 H LEU 69 -5.477 1.753 -2.232 484 HA LEU 69 HA LEU 69 -6.743 1.782 0.146 485 1HB LEU 69 1HB LEU 69 -7.167 2.831 -2.333 486 2HB LEU 69 2HB LEU 69 -8.547 1.762 -2.183 487 HG LEU 69 HG LEU 69 -7.816 3.850 -0.115 488 1HD1 LEU 69 1HD1 LEU 69 -8.573 5.420 -1.485 489 2HD1 LEU 69 2HD1 LEU 69 -8.966 4.209 -2.729 490 3HD1 LEU 69 3HD1 LEU 69 -10.162 4.618 -1.476 491 1HD2 LEU 69 1HD2 LEU 69 -9.417 1.682 0.201 492 2HD2 LEU 69 2HD2 LEU 69 -9.623 3.223 1.068 493 3HD2 LEU 69 3HD2 LEU 69 -10.594 2.883 -0.384 494 H THR 70 H THR 70 -7.299 -0.576 -2.545 495 HA THR 70 HA THR 70 -9.323 -2.006 -1.238 496 HB THR 70 HB THR 70 -7.320 -2.592 -3.463 497 HG1 THR 70 HG1 THR 70 -10.180 -2.086 -3.065 498 1HG2 THR 70 1HG2 THR 70 -8.213 -4.714 -3.826 499 2HG2 THR 70 2HG2 THR 70 -8.367 -4.676 -2.053 500 3HG2 THR 70 3HG2 THR 70 -9.772 -4.293 -3.077 501 H MET 71 H MET 71 -5.743 -2.511 -1.330 502 HA MET 71 HA MET 71 -5.627 -4.839 0.014 503 1HB MET 71 1HB MET 71 -3.681 -3.552 -0.928 504 2HB MET 71 2HB MET 71 -3.837 -2.367 0.354 505 1HG MET 71 1HG MET 71 -3.422 -4.205 2.048 506 2HG MET 71 2HG MET 71 -3.164 -5.326 0.727 507 1HE MET 71 1HE MET 71 0.120 -5.472 1.505 508 2HE MET 71 2HE MET 71 -1.321 -6.109 0.678 509 3HE MET 71 3HE MET 71 -0.031 -5.321 -0.262 510 H MET 72 H MET 72 -5.436 -1.549 1.570 511 HA MET 72 HA MET 72 -5.469 -2.480 4.149 512 1HB MET 72 1HB MET 72 -5.049 -0.089 3.162 513 2HB MET 72 2HB MET 72 -6.789 0.116 3.205 514 1HG MET 72 1HG MET 72 -5.762 -0.938 5.758 515 2HG MET 72 2HG MET 72 -4.998 0.581 5.334 516 1HE MET 72 1HE MET 72 -8.399 0.679 7.776 517 2HE MET 72 2HE MET 72 -7.357 -0.724 7.439 518 3HE MET 72 3HE MET 72 -6.631 0.831 7.912 519 H ALA 73 H ALA 73 -8.263 -1.103 2.258 520 HA ALA 73 HA ALA 73 -10.249 -1.449 4.044 521 1HB ALA 73 1HB ALA 73 -10.081 -0.734 1.434 522 2HB ALA 73 2HB ALA 73 -10.850 -2.330 1.259 523 3HB ALA 73 3HB ALA 73 -11.624 -1.074 2.254 524 H ARG 74 H ARG 74 -9.098 -3.964 1.683 525 HA ARG 74 HA ARG 74 -10.786 -5.926 2.616 526 1HB ARG 74 1HB ARG 74 -8.070 -6.053 1.228 527 2HB ARG 74 2HB ARG 74 -9.001 -7.498 1.568 528 1HG ARG 74 1HG ARG 74 -10.678 -5.438 0.316 529 2HG ARG 74 2HG ARG 74 -9.276 -5.793 -0.674 530 1HD ARG 74 1HD ARG 74 -11.106 -7.955 0.471 531 2HD ARG 74 2HD ARG 74 -11.315 -7.265 -1.126 532 HE ARG 74 HE ARG 74 -9.229 -8.264 -1.826 533 1HH1 ARG 74 2HH2 ARG 74 -10.122 -9.080 1.478 534 2HH1 ARG 74 1HH2 ARG 74 -9.042 -10.431 1.572 535 1HH2 ARG 74 2HH1 ARG 74 -7.805 -10.046 -1.704 536 2HH2 ARG 74 1HH1 ARG 74 -7.715 -10.984 -0.250 537 H LYS 75 H LYS 75 -7.558 -4.813 3.692 538 HA LYS 75 HA LYS 75 -6.909 -6.997 5.300 539 1HB LYS 75 1HB LYS 75 -5.591 -4.816 4.487 540 2HB LYS 75 2HB LYS 75 -6.053 -4.242 6.077 541 1HG LYS 75 1HG LYS 75 -3.978 -5.313 6.471 542 2HG LYS 75 2HG LYS 75 -5.151 -6.514 6.976 543 1HD LYS 75 1HD LYS 75 -4.351 -6.593 4.087 544 2HD LYS 75 2HD LYS 75 -3.111 -7.046 5.239 545 1HE LYS 75 1HE LYS 75 -5.199 -8.470 6.270 546 2HE LYS 75 2HE LYS 75 -5.698 -8.422 4.591 547 1HZ LYS 75 1HZ LYS 75 -2.936 -9.025 4.918 548 2HZ LYS 75 2HZ LYS 75 -3.911 -10.128 5.626 549 3HZ LYS 75 3HZ LYS 75 -4.072 -9.798 4.035 550 H MET 76 H MET 76 -8.352 -3.793 6.246 551 HA MET 76 HA MET 76 -8.833 -4.525 8.851 552 1HB MET 76 1HB MET 76 -10.438 -2.582 8.805 553 2HB MET 76 2HB MET 76 -8.925 -2.188 8.014 554 1HG MET 76 1HG MET 76 -9.885 -2.429 5.814 555 2HG MET 76 2HG MET 76 -11.304 -3.248 6.435 556 1HE MET 76 1HE MET 76 -12.801 -0.787 8.762 557 2HE MET 76 2HE MET 76 -13.714 -1.241 7.304 558 3HE MET 76 3HE MET 76 -12.684 -2.442 8.119 559 H LYS 77 H LYS 77 -10.600 -5.258 5.871 560 HA LYS 77 HA LYS 77 -13.091 -5.827 6.994 561 1HB LYS 77 1HB LYS 77 -12.221 -5.600 4.500 562 2HB LYS 77 2HB LYS 77 -12.060 -7.340 4.622 563 1HG LYS 77 1HG LYS 77 -14.277 -7.459 4.134 564 2HG LYS 77 2HG LYS 77 -14.572 -6.884 5.763 565 1HD LYS 77 1HD LYS 77 -15.247 -4.826 5.039 566 2HD LYS 77 2HD LYS 77 -13.900 -4.677 3.928 567 1HE LYS 77 1HE LYS 77 -15.155 -5.356 2.147 568 2HE LYS 77 2HE LYS 77 -15.814 -6.722 3.024 569 1HZ LYS 77 1HZ LYS 77 -17.570 -5.517 3.714 570 2HZ LYS 77 2HZ LYS 77 -16.764 -4.098 3.779 571 3HZ LYS 77 3HZ LYS 77 -17.272 -4.683 2.341 572 H ASP 78 H ASP 78 -10.380 -8.082 6.101 573 HA ASP 78 HA ASP 78 -11.371 -10.381 6.923 574 1HB ASP 78 1HB ASP 78 -8.733 -9.219 6.664 575 2HB ASP 78 2HB ASP 78 -8.740 -10.228 8.097 576 H THR 79 H THR 79 -9.444 -8.162 9.097 577 HA THR 79 HA THR 79 -10.048 -9.542 11.462 578 HB THR 79 HB THR 79 -8.150 -7.868 10.941 579 HG1 THR 79 HG1 THR 79 -8.818 -8.649 13.109 580 1HG2 THR 79 1HG2 THR 79 -9.448 -5.951 10.093 581 2HG2 THR 79 2HG2 THR 79 -10.451 -5.943 11.564 582 3HG2 THR 79 3HG2 THR 79 -8.729 -5.501 11.658 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -17.599 8.042 -0.666 2 HA ALA 1 HA ALA 1 -20.460 7.687 -1.201 3 1HB ALA 1 1HB ALA 1 -19.998 5.327 -0.498 4 2HB ALA 1 2HB ALA 1 -19.052 5.834 -1.918 5 3HB ALA 1 3HB ALA 1 -18.280 5.754 -0.317 6 H ASP 2 H ASP 2 -18.166 8.731 1.148 7 HA ASP 2 HA ASP 2 -18.241 9.096 3.291 8 1HB ASP 2 1HB ASP 2 -21.252 9.335 2.831 9 2HB ASP 2 2HB ASP 2 -20.383 10.001 4.199 10 H GLN 3 H GLN 3 -18.279 6.311 2.655 11 HA GLN 3 HA GLN 3 -20.071 5.291 4.721 12 1HB GLN 3 1HB GLN 3 -20.058 3.126 3.469 13 2HB GLN 3 2HB GLN 3 -20.759 4.438 2.543 14 1HG GLN 3 1HG GLN 3 -19.036 4.465 1.004 15 2HG GLN 3 2HG GLN 3 -17.812 4.093 2.202 16 1HE2 GLN 3 1HE2 GLN 3 -17.084 2.690 0.427 17 2HE2 GLN 3 2HE2 GLN 3 -17.701 1.075 0.318 18 H LEU 4 H LEU 4 -16.815 5.373 3.288 19 HA LEU 4 HA LEU 4 -15.585 4.752 5.712 20 1HB LEU 4 1HB LEU 4 -16.259 2.530 5.571 21 2HB LEU 4 2HB LEU 4 -16.016 2.452 3.838 22 HG LEU 4 HG LEU 4 -14.352 1.144 5.083 23 1HD1 LEU 4 1HD1 LEU 4 -12.660 1.599 3.640 24 2HD1 LEU 4 2HD1 LEU 4 -13.920 2.605 2.887 25 3HD1 LEU 4 3HD1 LEU 4 -12.706 3.351 3.953 26 1HD2 LEU 4 1HD2 LEU 4 -14.370 3.153 6.922 27 2HD2 LEU 4 2HD2 LEU 4 -13.122 1.889 6.806 28 3HD2 LEU 4 3HD2 LEU 4 -12.847 3.482 6.061 29 H THR 5 H THR 5 -15.296 4.325 2.121 30 HA THR 5 HA THR 5 -12.566 4.895 1.992 31 HB THR 5 HB THR 5 -14.432 3.977 0.266 32 HG1 THR 5 HG1 THR 5 -11.963 4.279 0.190 33 1HG2 THR 5 1HG2 THR 5 -15.086 6.676 0.191 34 2HG2 THR 5 2HG2 THR 5 -13.878 6.559 -1.111 35 3HG2 THR 5 3HG2 THR 5 -15.341 5.546 -1.160 36 H GLU 6 H GLU 6 -15.304 6.972 2.620 37 HA GLU 6 HA GLU 6 -14.217 9.325 1.618 38 1HB GLU 6 1HB GLU 6 -16.575 9.190 2.157 39 2HB GLU 6 2HB GLU 6 -16.239 8.777 3.827 40 1HG GLU 6 1HG GLU 6 -14.842 11.208 3.382 41 2HG GLU 6 2HG GLU 6 -16.382 11.419 2.572 42 H GLU 7 H GLU 7 -14.384 8.119 5.053 43 HA GLU 7 HA GLU 7 -12.612 10.109 5.937 44 1HB GLU 7 1HB GLU 7 -12.578 8.681 8.053 45 2HB GLU 7 2HB GLU 7 -14.161 9.216 7.527 46 1HG GLU 7 1HG GLU 7 -14.803 7.078 6.793 47 2HG GLU 7 2HG GLU 7 -13.154 6.562 6.501 48 H GLN 8 H GLN 8 -12.259 6.809 4.669 49 HA GLN 8 HA GLN 8 -9.664 6.407 5.643 50 1HB GLN 8 1HB GLN 8 -11.507 5.085 3.706 51 2HB GLN 8 2HB GLN 8 -9.802 4.788 3.431 52 1HG GLN 8 1HG GLN 8 -11.103 4.453 6.169 53 2HG GLN 8 2HG GLN 8 -11.004 3.144 5.008 54 1HE2 GLN 8 1HE2 GLN 8 -9.301 1.892 5.059 55 2HE2 GLN 8 2HE2 GLN 8 -7.766 2.239 5.783 56 H ILE 9 H ILE 9 -10.983 7.510 2.449 57 HA ILE 9 HA ILE 9 -8.665 7.723 1.047 58 HB ILE 9 HB ILE 9 -11.242 9.234 1.054 59 1HG1 ILE 9 1HG1 ILE 9 -10.823 6.868 0.096 60 2HG1 ILE 9 2HG1 ILE 9 -11.722 8.027 -0.863 61 1HG2 ILE 9 1HG2 ILE 9 -8.710 10.161 -0.152 62 2HG2 ILE 9 2HG2 ILE 9 -10.112 10.124 -1.248 63 3HG2 ILE 9 3HG2 ILE 9 -10.190 11.058 0.265 64 1HD1 ILE 9 1HD1 ILE 9 -10.168 7.983 -2.512 65 2HD1 ILE 9 2HD1 ILE 9 -8.852 8.301 -1.357 66 3HD1 ILE 9 3HD1 ILE 9 -9.398 6.632 -1.646 67 H ALA 10 H ALA 10 -10.019 10.029 3.469 68 HA ALA 10 HA ALA 10 -8.139 12.039 3.104 69 1HB ALA 10 1HB ALA 10 -10.345 11.995 4.447 70 2HB ALA 10 2HB ALA 10 -9.380 11.289 5.766 71 3HB ALA 10 3HB ALA 10 -8.983 12.907 5.140 72 H GLU 11 H GLU 11 -8.078 9.016 5.055 73 HA GLU 11 HA GLU 11 -5.669 9.676 6.338 74 1HB GLU 11 1HB GLU 11 -7.335 7.180 6.017 75 2HB GLU 11 2HB GLU 11 -5.710 7.026 6.655 76 1HG GLU 11 1HG GLU 11 -6.185 8.420 8.542 77 2HG GLU 11 2HG GLU 11 -7.624 9.090 7.799 78 H PHE 12 H PHE 12 -6.528 7.636 3.472 79 HA PHE 12 HA PHE 12 -3.968 6.694 2.965 80 1HB PHE 12 1HB PHE 12 -6.338 7.432 1.145 81 2HB PHE 12 2HB PHE 12 -4.988 6.451 0.609 82 HD1 PHE 12 HD1 PHE 12 -4.730 4.931 3.313 83 HD2 PHE 12 HD2 PHE 12 -8.004 5.759 0.743 84 HE1 PHE 12 HE1 PHE 12 -5.900 2.870 4.139 85 HE2 PHE 12 HE2 PHE 12 -9.174 3.698 1.570 86 HZ PHE 12 HZ PHE 12 -8.108 2.278 3.258 87 H LYS 13 H LYS 13 -5.675 9.674 1.830 88 HA LYS 13 HA LYS 13 -4.018 10.589 -0.064 89 1HB LYS 13 1HB LYS 13 -6.115 11.642 1.000 90 2HB LYS 13 2HB LYS 13 -5.018 12.404 2.134 91 1HG LYS 13 1HG LYS 13 -4.392 13.954 0.599 92 2HG LYS 13 2HG LYS 13 -3.977 12.714 -0.567 93 1HD LYS 13 1HD LYS 13 -5.709 13.944 -1.634 94 2HD LYS 13 2HD LYS 13 -6.518 12.509 -1.038 95 1HE LYS 13 1HE LYS 13 -7.987 14.160 -0.280 96 2HE LYS 13 2HE LYS 13 -6.957 13.989 1.128 97 1HZ LYS 13 1HZ LYS 13 -5.587 15.799 -0.027 98 2HZ LYS 13 2HZ LYS 13 -6.949 16.102 -0.876 99 3HZ LYS 13 3HZ LYS 13 -6.957 16.227 0.753 100 H GLU 14 H GLU 14 -3.530 11.204 3.488 101 HA GLU 14 HA GLU 14 -1.023 12.345 3.090 102 1HB GLU 14 1HB GLU 14 -2.702 11.491 5.373 103 2HB GLU 14 2HB GLU 14 -0.984 11.380 5.700 104 1HG GLU 14 1HG GLU 14 -0.807 13.787 4.732 105 2HG GLU 14 2HG GLU 14 -2.555 13.842 4.835 106 H ALA 15 H ALA 15 -2.153 8.996 3.479 107 HA ALA 15 HA ALA 15 0.309 7.849 4.173 108 1HB ALA 15 1HB ALA 15 -1.805 6.456 2.525 109 2HB ALA 15 2HB ALA 15 -0.800 5.811 3.844 110 3HB ALA 15 3HB ALA 15 -2.140 6.924 4.209 111 H PHE 16 H PHE 16 -1.392 8.024 0.959 112 HA PHE 16 HA PHE 16 0.379 6.897 -0.655 113 1HB PHE 16 1HB PHE 16 -1.770 8.168 -1.215 114 2HB PHE 16 2HB PHE 16 -0.901 9.675 -1.006 115 HD1 PHE 16 HD1 PHE 16 0.094 6.535 -2.759 116 HD2 PHE 16 HD2 PHE 16 -0.790 10.672 -3.091 117 HE1 PHE 16 HE1 PHE 16 0.763 6.483 -5.177 118 HE2 PHE 16 HE2 PHE 16 -0.121 10.620 -5.510 119 HZ PHE 16 HZ PHE 16 0.648 8.527 -6.524 120 H SER 17 H SER 17 0.806 10.054 0.980 121 HA SER 17 HA SER 17 2.996 10.861 -0.536 122 1HB SER 17 1HB SER 17 1.700 12.419 0.855 123 2HB SER 17 2HB SER 17 2.160 11.560 2.312 124 HG SER 17 HG SER 17 4.410 12.133 1.845 125 H LEU 18 H LEU 18 2.732 9.233 2.704 126 HA LEU 18 HA LEU 18 5.539 8.950 2.971 127 1HB LEU 18 1HB LEU 18 3.211 7.653 4.391 128 2HB LEU 18 2HB LEU 18 4.889 7.429 4.845 129 HG LEU 18 HG LEU 18 3.549 10.142 4.757 130 1HD1 LEU 18 1HD1 LEU 18 2.845 9.972 6.921 131 2HD1 LEU 18 2HD1 LEU 18 2.633 8.281 6.405 132 3HD1 LEU 18 3HD1 LEU 18 4.068 8.751 7.348 133 1HD2 LEU 18 1HD2 LEU 18 5.418 10.932 6.004 134 2HD2 LEU 18 2HD2 LEU 18 6.048 9.283 6.232 135 3HD2 LEU 18 3HD2 LEU 18 6.055 10.023 4.613 136 H PHE 19 H PHE 19 2.846 6.721 2.019 137 HA PHE 19 HA PHE 19 4.437 4.480 1.652 138 1HB PHE 19 1HB PHE 19 1.742 5.385 1.300 139 2HB PHE 19 2HB PHE 19 2.224 4.822 -0.288 140 HD1 PHE 19 HD1 PHE 19 1.304 2.747 -0.671 141 HD2 PHE 19 HD2 PHE 19 2.952 3.558 3.154 142 HE1 PHE 19 HE1 PHE 19 0.845 0.380 0.028 143 HE2 PHE 19 HE2 PHE 19 2.494 1.192 3.853 144 HZ PHE 19 HZ PHE 19 1.446 -0.369 2.282 145 H ASP 20 H ASP 20 3.499 7.123 -0.633 146 HA ASP 20 HA ASP 20 5.098 5.865 -2.669 147 1HB ASP 20 1HB ASP 20 2.786 7.118 -2.939 148 2HB ASP 20 2HB ASP 20 3.754 8.578 -2.888 149 H LYS 21 H LYS 21 6.870 6.430 -0.743 150 HA LYS 21 HA LYS 21 7.740 9.044 -0.437 151 1HB LYS 21 1HB LYS 21 9.860 7.997 0.318 152 2HB LYS 21 2HB LYS 21 8.434 7.312 1.072 153 1HG LYS 21 1HG LYS 21 8.489 5.483 -0.734 154 2HG LYS 21 2HG LYS 21 10.052 6.110 -1.218 155 1HD LYS 21 1HD LYS 21 11.009 5.642 0.980 156 2HD LYS 21 2HD LYS 21 9.435 5.253 1.644 157 1HE LYS 21 1HE LYS 21 9.570 3.105 0.911 158 2HE LYS 21 2HE LYS 21 9.935 3.620 -0.723 159 1HZ LYS 21 1HZ LYS 21 12.058 3.890 1.211 160 2HZ LYS 21 2HZ LYS 21 11.663 2.366 0.778 161 3HZ LYS 21 3HZ LYS 21 12.129 3.442 -0.358 162 H ASP 22 H ASP 22 8.397 6.599 -2.975 163 HA ASP 22 HA ASP 22 10.536 7.738 -4.168 164 1HB ASP 22 1HB ASP 22 8.187 6.120 -5.101 165 2HB ASP 22 2HB ASP 22 9.133 6.894 -6.357 166 H GLY 23 H GLY 23 7.013 8.498 -4.500 167 1HA GLY 23 1HA GLY 23 5.984 10.410 -5.128 168 2HA GLY 23 2HA GLY 23 7.541 11.206 -5.241 169 H ASP 24 H ASP 24 6.368 8.232 -6.947 170 HA ASP 24 HA ASP 24 6.905 9.669 -9.423 171 1HB ASP 24 1HB ASP 24 6.906 7.185 -10.324 172 2HB ASP 24 2HB ASP 24 8.318 7.807 -9.493 173 H GLY 25 H GLY 25 4.545 8.085 -7.383 174 1HA GLY 25 1HA GLY 25 2.230 8.558 -7.839 175 2HA GLY 25 2HA GLY 25 2.533 8.271 -9.541 176 H THR 26 H THR 26 4.432 6.054 -7.844 177 HA THR 26 HA THR 26 2.283 4.097 -7.541 178 HB THR 26 HB THR 26 4.011 2.535 -8.860 179 HG1 THR 26 HG1 THR 26 5.467 4.517 -8.940 180 1HG2 THR 26 1HG2 THR 26 1.630 3.540 -9.616 181 2HG2 THR 26 2HG2 THR 26 2.657 4.553 -10.658 182 3HG2 THR 26 3HG2 THR 26 2.716 2.780 -10.805 183 H ILE 27 H ILE 27 2.598 2.633 -5.914 184 HA ILE 27 HA ILE 27 4.965 3.157 -4.294 185 HB ILE 27 HB ILE 27 2.186 2.297 -3.803 186 1HG1 ILE 27 1HG1 ILE 27 2.879 3.520 -1.579 187 2HG1 ILE 27 2HG1 ILE 27 4.248 4.069 -2.525 188 1HG2 ILE 27 1HG2 ILE 27 2.967 1.320 -1.549 189 2HG2 ILE 27 2HG2 ILE 27 3.053 0.290 -2.998 190 3HG2 ILE 27 3HG2 ILE 27 4.527 1.063 -2.367 191 1HD1 ILE 27 1HD1 ILE 27 2.951 5.393 -3.909 192 2HD1 ILE 27 2HD1 ILE 27 1.556 4.289 -3.831 193 3HD1 ILE 27 3HD1 ILE 27 1.892 5.396 -2.478 194 H THR 28 H THR 28 6.654 1.996 -5.175 195 HA THR 28 HA THR 28 6.334 -0.571 -6.297 196 HB THR 28 HB THR 28 8.694 1.089 -5.295 197 HG1 THR 28 HG1 THR 28 8.899 0.998 -7.757 198 1HG2 THR 28 1HG2 THR 28 10.172 -0.591 -5.810 199 2HG2 THR 28 2HG2 THR 28 8.787 -1.696 -5.643 200 3HG2 THR 28 3HG2 THR 28 9.236 -1.068 -7.247 201 H THR 29 H THR 29 6.764 -2.642 -5.528 202 HA THR 29 HA THR 29 5.845 -3.375 -3.126 203 HB THR 29 HB THR 29 7.101 -5.459 -3.496 204 HG1 THR 29 HG1 THR 29 8.589 -3.751 -5.364 205 1HG2 THR 29 1HG2 THR 29 5.420 -4.539 -5.379 206 2HG2 THR 29 2HG2 THR 29 6.922 -4.387 -6.320 207 3HG2 THR 29 3HG2 THR 29 6.424 -5.975 -5.689 208 H LYS 30 H LYS 30 9.135 -2.109 -3.771 209 HA LYS 30 HA LYS 30 10.144 -2.695 -1.221 210 1HB LYS 30 1HB LYS 30 11.990 -1.340 -1.837 211 2HB LYS 30 2HB LYS 30 11.461 -2.156 -3.295 212 1HG LYS 30 1HG LYS 30 10.103 -0.083 -3.883 213 2HG LYS 30 2HG LYS 30 10.816 0.721 -2.499 214 1HD LYS 30 1HD LYS 30 13.119 0.162 -3.501 215 2HD LYS 30 2HD LYS 30 12.279 -0.360 -4.948 216 1HE LYS 30 1HE LYS 30 11.159 2.175 -4.344 217 2HE LYS 30 2HE LYS 30 12.874 2.363 -4.035 218 1HZ LYS 30 1HZ LYS 30 13.375 1.736 -6.199 219 2HZ LYS 30 2HZ LYS 30 11.898 1.103 -6.490 220 3HZ LYS 30 3HZ LYS 30 12.084 2.721 -6.373 221 H GLU 31 H GLU 31 8.694 0.325 -2.619 222 HA GLU 31 HA GLU 31 8.926 1.931 -0.485 223 1HB GLU 31 1HB GLU 31 6.516 1.679 -2.338 224 2HB GLU 31 2HB GLU 31 6.838 3.061 -1.311 225 1HG GLU 31 1HG GLU 31 9.086 3.323 -2.477 226 2HG GLU 31 2HG GLU 31 8.615 2.042 -3.576 227 H LEU 32 H LEU 32 6.707 -0.825 -0.908 228 HA LEU 32 HA LEU 32 5.051 -0.164 1.298 229 1HB LEU 32 1HB LEU 32 4.474 -1.597 -0.692 230 2HB LEU 32 2HB LEU 32 5.469 -2.859 0.007 231 HG LEU 32 HG LEU 32 2.955 -1.661 1.198 232 1HD1 LEU 32 1HD1 LEU 32 1.822 -3.357 0.306 233 2HD1 LEU 32 2HD1 LEU 32 3.254 -3.651 -0.710 234 3HD1 LEU 32 3HD1 LEU 32 3.043 -4.548 0.813 235 1HD2 LEU 32 1HD2 LEU 32 5.014 -3.504 2.385 236 2HD2 LEU 32 2HD2 LEU 32 4.223 -2.078 3.097 237 3HD2 LEU 32 3HD2 LEU 32 3.309 -3.591 2.889 238 H GLY 33 H GLY 33 7.605 -2.713 0.828 239 1HA GLY 33 1HA GLY 33 7.727 -3.631 3.415 240 2HA GLY 33 2HA GLY 33 9.066 -3.606 2.286 241 H THR 34 H THR 34 9.278 -0.719 1.948 242 HA THR 34 HA THR 34 10.917 -0.134 4.163 243 HB THR 34 HB THR 34 9.846 1.354 1.735 244 HG1 THR 34 HG1 THR 34 12.367 0.403 2.890 245 1HG2 THR 34 1HG2 THR 34 10.325 3.361 2.727 246 2HG2 THR 34 2HG2 THR 34 10.922 2.553 4.197 247 3HG2 THR 34 3HG2 THR 34 12.016 2.813 2.817 248 H VAL 35 H VAL 35 7.808 1.433 3.124 249 HA VAL 35 HA VAL 35 7.461 3.073 5.237 250 HB VAL 35 HB VAL 35 5.392 1.399 3.799 251 1HG1 VAL 35 1HG1 VAL 35 3.876 2.274 5.181 252 2HG1 VAL 35 2HG1 VAL 35 5.119 3.245 6.006 253 3HG1 VAL 35 3HG1 VAL 35 4.301 3.887 4.561 254 1HG2 VAL 35 1HG2 VAL 35 5.727 4.257 3.129 255 2HG2 VAL 35 2HG2 VAL 35 7.107 3.219 2.700 256 3HG2 VAL 35 3HG2 VAL 35 5.485 2.847 2.070 257 H MET 36 H MET 36 6.443 -0.409 5.065 258 HA MET 36 HA MET 36 5.247 -0.737 7.389 259 1HB MET 36 1HB MET 36 7.457 -2.478 6.165 260 2HB MET 36 2HB MET 36 6.399 -3.043 7.442 261 1HG MET 36 1HG MET 36 5.152 -1.859 4.952 262 2HG MET 36 2HG MET 36 5.800 -3.485 4.873 263 1HE MET 36 1HE MET 36 5.038 -5.269 5.472 264 2HE MET 36 2HE MET 36 4.235 -5.624 7.021 265 3HE MET 36 3HE MET 36 3.272 -5.481 5.531 266 H ARG 37 H ARG 37 8.864 -0.829 7.006 267 HA ARG 37 HA ARG 37 9.438 -1.238 9.636 268 1HB ARG 37 1HB ARG 37 10.909 0.134 7.362 269 2HB ARG 37 2HB ARG 37 11.621 0.135 8.963 270 1HG ARG 37 1HG ARG 37 10.917 -2.513 8.752 271 2HG ARG 37 2HG ARG 37 11.216 -2.141 7.066 272 1HD ARG 37 1HD ARG 37 13.306 -0.994 8.788 273 2HD ARG 37 2HD ARG 37 13.161 -2.723 9.036 274 HE ARG 37 HE ARG 37 14.028 -3.074 6.893 275 1HH1 ARG 37 2HH2 ARG 37 12.859 0.237 7.123 276 2HH1 ARG 37 1HH2 ARG 37 13.479 0.698 5.573 277 1HH2 ARG 37 2HH1 ARG 37 14.846 -2.466 4.848 278 2HH2 ARG 37 1HH1 ARG 37 14.617 -0.849 4.270 279 H SER 38 H SER 38 8.861 1.833 7.823 280 HA SER 38 HA SER 38 9.651 3.640 9.655 281 1HB SER 38 1HB SER 38 8.259 3.704 7.270 282 2HB SER 38 2HB SER 38 7.034 4.270 8.389 283 HG SER 38 HG SER 38 8.010 6.165 8.268 284 H LEU 39 H LEU 39 6.984 1.368 9.850 285 HA LEU 39 HA LEU 39 5.666 2.859 11.956 286 1HB LEU 39 1HB LEU 39 5.080 0.303 10.481 287 2HB LEU 39 2HB LEU 39 4.195 0.756 11.924 288 HG LEU 39 HG LEU 39 4.319 2.289 9.314 289 1HD1 LEU 39 1HD1 LEU 39 2.850 0.503 8.996 290 2HD1 LEU 39 2HD1 LEU 39 2.211 0.603 10.654 291 3HD1 LEU 39 3HD1 LEU 39 1.788 1.854 9.460 292 1HD2 LEU 39 1HD2 LEU 39 3.492 3.133 12.030 293 2HD2 LEU 39 2HD2 LEU 39 4.066 4.092 10.645 294 3HD2 LEU 39 3HD2 LEU 39 2.374 3.541 10.706 295 H GLY 40 H GLY 40 7.826 0.054 11.465 296 1HA GLY 40 1HA GLY 40 9.259 -0.012 13.633 297 2HA GLY 40 2HA GLY 40 7.743 -0.534 14.340 298 H GLN 41 H GLN 41 6.597 -2.172 12.415 299 HA GLN 41 HA GLN 41 7.706 -4.557 12.850 300 1HB GLN 41 1HB GLN 41 6.578 -5.173 10.536 301 2HB GLN 41 2HB GLN 41 5.589 -4.664 11.890 302 1HG GLN 41 1HG GLN 41 6.485 -2.299 10.479 303 2HG GLN 41 2HG GLN 41 5.830 -3.425 9.306 304 1HE2 GLN 41 1HE2 GLN 41 5.172 -1.158 11.729 305 2HE2 GLN 41 2HE2 GLN 41 3.453 -1.338 11.844 306 H ASN 42 H ASN 42 8.673 -6.135 11.100 307 HA ASN 42 HA ASN 42 10.579 -4.701 9.453 308 1HB ASN 42 1HB ASN 42 11.167 -6.620 11.705 309 2HB ASN 42 2HB ASN 42 12.155 -6.774 10.266 310 1HD2 ASN 42 1HD2 ASN 42 10.826 -4.300 12.452 311 2HD2 ASN 42 2HD2 ASN 42 12.221 -3.275 12.502 312 HA PRO 43 HA PRO 43 8.530 -8.398 7.581 313 1HB PRO 43 1HB PRO 43 7.074 -7.155 5.631 314 2HB PRO 43 2HB PRO 43 6.406 -7.602 7.188 315 1HG PRO 43 1HG PRO 43 7.183 -4.925 6.205 316 2HG PRO 43 2HG PRO 43 6.143 -5.340 7.553 317 1HD PRO 43 1HD PRO 43 8.862 -4.438 7.697 318 2HD PRO 43 2HD PRO 43 7.860 -4.963 9.035 319 H THR 44 H THR 44 8.610 -9.265 5.273 320 HA THR 44 HA THR 44 11.105 -8.188 4.143 321 HB THR 44 HB THR 44 11.026 -10.628 3.096 322 HG1 THR 44 HG1 THR 44 9.752 -11.981 4.633 323 1HG2 THR 44 1HG2 THR 44 12.269 -11.496 4.923 324 2HG2 THR 44 2HG2 THR 44 12.484 -9.741 5.129 325 3HG2 THR 44 3HG2 THR 44 11.293 -10.615 6.123 326 H GLU 45 H GLU 45 11.307 -7.812 1.919 327 HA GLU 45 HA GLU 45 8.985 -6.833 0.750 328 1HB GLU 45 1HB GLU 45 10.411 -6.443 -1.235 329 2HB GLU 45 2HB GLU 45 11.225 -5.948 0.237 330 1HG GLU 45 1HG GLU 45 12.427 -8.167 0.283 331 2HG GLU 45 2HG GLU 45 11.656 -8.594 -1.232 332 H ALA 46 H ALA 46 10.337 -10.033 0.923 333 HA ALA 46 HA ALA 46 9.310 -11.022 -1.525 334 1HB ALA 46 1HB ALA 46 11.181 -11.952 0.003 335 2HB ALA 46 2HB ALA 46 9.859 -12.643 0.975 336 3HB ALA 46 3HB ALA 46 10.055 -13.120 -0.728 337 H GLU 47 H GLU 47 8.230 -11.415 1.930 338 HA GLU 47 HA GLU 47 5.902 -12.717 1.335 339 1HB GLU 47 1HB GLU 47 6.785 -10.970 3.642 340 2HB GLU 47 2HB GLU 47 5.146 -11.588 3.604 341 1HG GLU 47 1HG GLU 47 6.537 -13.880 3.002 342 2HG GLU 47 2HG GLU 47 7.721 -13.056 3.997 343 H LEU 48 H LEU 48 6.650 -9.208 1.396 344 HA LEU 48 HA LEU 48 3.950 -8.392 1.119 345 1HB LEU 48 1HB LEU 48 6.636 -7.087 0.896 346 2HB LEU 48 2HB LEU 48 5.213 -6.241 0.322 347 HG LEU 48 HG LEU 48 5.631 -5.495 2.534 348 1HD1 LEU 48 1HD1 LEU 48 3.504 -7.329 3.373 349 2HD1 LEU 48 2HD1 LEU 48 3.502 -5.557 3.209 350 3HD1 LEU 48 3HD1 LEU 48 3.220 -6.584 1.782 351 1HD2 LEU 48 1HD2 LEU 48 7.029 -6.946 3.611 352 2HD2 LEU 48 2HD2 LEU 48 5.495 -7.344 4.420 353 3HD2 LEU 48 3HD2 LEU 48 6.109 -8.386 3.115 354 H GLN 49 H GLN 49 6.516 -9.462 -1.080 355 HA GLN 49 HA GLN 49 5.635 -8.343 -3.404 356 1HB GLN 49 1HB GLN 49 7.747 -9.711 -3.003 357 2HB GLN 49 2HB GLN 49 6.767 -11.158 -3.120 358 1HG GLN 49 1HG GLN 49 6.085 -10.566 -5.419 359 2HG GLN 49 2HG GLN 49 6.929 -9.034 -5.309 360 1HE2 GLN 49 1HE2 GLN 49 7.719 -10.262 -7.354 361 2HE2 GLN 49 2HE2 GLN 49 9.215 -11.119 -7.187 362 H ASP 50 H ASP 50 4.410 -11.185 -1.606 363 HA ASP 50 HA ASP 50 2.784 -12.112 -3.684 364 1HB ASP 50 1HB ASP 50 3.323 -13.630 -1.905 365 2HB ASP 50 2HB ASP 50 2.825 -12.492 -0.670 366 H MET 51 H MET 51 2.472 -9.729 -1.032 367 HA MET 51 HA MET 51 -0.326 -9.514 -1.178 368 1HB MET 51 1HB MET 51 1.954 -7.860 -0.016 369 2HB MET 51 2HB MET 51 0.328 -7.207 0.001 370 1HG MET 51 1HG MET 51 0.261 -9.967 0.930 371 2HG MET 51 2HG MET 51 1.475 -9.083 1.834 372 1HE MET 51 1HE MET 51 1.291 -7.841 3.428 373 2HE MET 51 2HE MET 51 0.295 -6.367 3.360 374 3HE MET 51 3HE MET 51 -0.163 -7.702 4.445 375 H ILE 52 H ILE 52 2.354 -7.319 -2.306 376 HA ILE 52 HA ILE 52 0.802 -5.444 -3.547 377 HB ILE 52 HB ILE 52 2.820 -5.083 -4.998 378 1HG1 ILE 52 1HG1 ILE 52 4.835 -6.483 -3.877 379 2HG1 ILE 52 2HG1 ILE 52 3.566 -7.686 -3.765 380 1HG2 ILE 52 1HG2 ILE 52 3.367 -3.730 -3.331 381 2HG2 ILE 52 2HG2 ILE 52 2.455 -4.742 -2.185 382 3HG2 ILE 52 3HG2 ILE 52 4.174 -5.081 -2.500 383 1HD1 ILE 52 1HD1 ILE 52 5.078 -7.388 -5.983 384 2HD1 ILE 52 2HD1 ILE 52 3.383 -7.926 -6.059 385 3HD1 ILE 52 3HD1 ILE 52 3.790 -6.222 -6.375 386 H ASN 53 H ASN 53 1.905 -8.647 -4.769 387 HA ASN 53 HA ASN 53 1.031 -8.290 -7.359 388 1HB ASN 53 1HB ASN 53 2.351 -10.274 -6.031 389 2HB ASN 53 2HB ASN 53 0.762 -11.011 -6.086 390 1HD2 ASN 53 1HD2 ASN 53 3.630 -10.750 -7.632 391 2HD2 ASN 53 2HD2 ASN 53 3.185 -11.147 -9.258 392 H GLU 54 H GLU 54 -0.599 -9.266 -4.317 393 HA GLU 54 HA GLU 54 -2.937 -10.204 -5.562 394 1HB GLU 54 1HB GLU 54 -2.365 -10.954 -3.324 395 2HB GLU 54 2HB GLU 54 -2.324 -9.312 -2.715 396 1HG GLU 54 1HG GLU 54 -4.510 -9.540 -2.157 397 2HG GLU 54 2HG GLU 54 -4.890 -9.544 -3.868 398 H VAL 55 H VAL 55 -2.251 -7.181 -3.646 399 HA VAL 55 HA VAL 55 -4.685 -5.964 -4.214 400 HB VAL 55 HB VAL 55 -3.737 -4.033 -3.284 401 1HG1 VAL 55 1HG1 VAL 55 -1.873 -5.548 -1.717 402 2HG1 VAL 55 2HG1 VAL 55 -3.517 -5.013 -1.295 403 3HG1 VAL 55 3HG1 VAL 55 -3.270 -6.580 -2.103 404 1HG2 VAL 55 1HG2 VAL 55 -1.859 -3.367 -4.379 405 2HG2 VAL 55 2HG2 VAL 55 -1.061 -4.136 -2.986 406 3HG2 VAL 55 3HG2 VAL 55 -1.219 -5.021 -4.523 407 H ASP 56 H ASP 56 -1.621 -6.177 -6.037 408 HA ASP 56 HA ASP 56 -2.186 -4.132 -7.822 409 1HB ASP 56 1HB ASP 56 0.057 -5.082 -7.621 410 2HB ASP 56 2HB ASP 56 -0.521 -6.675 -8.069 411 H ALA 57 H ALA 57 -4.030 -4.120 -9.127 412 HA ALA 57 HA ALA 57 -4.961 -6.703 -10.158 413 1HB ALA 57 1HB ALA 57 -6.884 -4.744 -10.700 414 2HB ALA 57 2HB ALA 57 -6.917 -5.917 -9.361 415 3HB ALA 57 3HB ALA 57 -6.240 -4.291 -9.104 416 H ASP 58 H ASP 58 -4.217 -3.278 -11.060 417 HA ASP 58 HA ASP 58 -4.813 -3.231 -13.627 418 1HB ASP 58 1HB ASP 58 -2.019 -2.377 -12.820 419 2HB ASP 58 2HB ASP 58 -3.130 -1.569 -13.908 420 H GLY 59 H GLY 59 -2.245 -5.130 -12.046 421 1HA GLY 59 1HA GLY 59 -1.329 -7.070 -12.919 422 2HA GLY 59 2HA GLY 59 -1.775 -6.578 -14.540 423 H ASP 60 H ASP 60 0.671 -6.434 -12.015 424 HA ASP 60 HA ASP 60 2.678 -5.898 -13.824 425 1HB ASP 60 1HB ASP 60 3.313 -3.598 -12.641 426 2HB ASP 60 2HB ASP 60 2.247 -3.622 -14.032 427 H GLY 61 H GLY 61 1.819 -4.727 -10.469 428 1HA GLY 61 1HA GLY 61 2.535 -6.333 -8.674 429 2HA GLY 61 2HA GLY 61 4.115 -6.274 -9.430 430 H THR 62 H THR 62 1.670 -3.654 -8.837 431 HA THR 62 HA THR 62 3.465 -2.451 -6.886 432 HB THR 62 HB THR 62 2.502 -0.923 -9.355 433 HG1 THR 62 HG1 THR 62 5.121 -2.034 -8.639 434 1HG2 THR 62 1HG2 THR 62 4.516 -0.403 -7.115 435 2HG2 THR 62 2HG2 THR 62 4.557 0.486 -8.657 436 3HG2 THR 62 3HG2 THR 62 3.136 0.615 -7.593 437 H ILE 63 H ILE 63 2.422 -0.557 -5.781 438 HA ILE 63 HA ILE 63 -0.422 -1.177 -5.505 439 HB ILE 63 HB ILE 63 1.166 0.509 -3.605 440 1HG1 ILE 63 1HG1 ILE 63 1.222 -2.514 -3.790 441 2HG1 ILE 63 2HG1 ILE 63 2.583 -1.415 -3.896 442 1HG2 ILE 63 1HG2 ILE 63 -0.868 0.548 -2.683 443 2HG2 ILE 63 2HG2 ILE 63 -1.451 -0.807 -3.679 444 3HG2 ILE 63 3HG2 ILE 63 -0.532 -1.129 -2.189 445 1HD1 ILE 63 1HD1 ILE 63 1.032 -2.296 -1.487 446 2HD1 ILE 63 2HD1 ILE 63 2.773 -1.971 -1.662 447 3HD1 ILE 63 3HD1 ILE 63 1.628 -0.619 -1.491 448 H ASP 64 H ASP 64 -1.596 1.023 -4.591 449 HA ASP 64 HA ASP 64 -0.738 3.389 -5.796 450 1HB ASP 64 1HB ASP 64 -1.558 1.983 -7.808 451 2HB ASP 64 2HB ASP 64 -3.167 2.114 -7.127 452 H PHE 65 H PHE 65 -3.008 4.893 -5.958 453 HA PHE 65 HA PHE 65 -3.916 5.071 -3.347 454 1HB PHE 65 1HB PHE 65 -4.060 6.456 -5.814 455 2HB PHE 65 2HB PHE 65 -5.735 6.040 -5.508 456 HD1 PHE 65 HD1 PHE 65 -2.811 7.455 -3.658 457 HD2 PHE 65 HD2 PHE 65 -7.000 7.556 -4.326 458 HE1 PHE 65 HE1 PHE 65 -3.012 9.411 -2.098 459 HE2 PHE 65 HE2 PHE 65 -7.202 9.512 -2.766 460 HZ PHE 65 HZ PHE 65 -5.205 10.416 -1.671 461 HA PRO 66 HA PRO 66 -7.816 2.865 -4.886 462 1HB PRO 66 1HB PRO 66 -7.836 1.657 -7.337 463 2HB PRO 66 2HB PRO 66 -8.461 3.270 -7.058 464 1HG PRO 66 1HG PRO 66 -5.933 2.462 -8.360 465 2HG PRO 66 2HG PRO 66 -6.769 4.000 -8.446 466 1HD PRO 66 1HD PRO 66 -4.429 3.404 -6.898 467 2HD PRO 66 2HD PRO 66 -5.333 4.905 -6.896 468 H GLU 67 H GLU 67 -4.831 1.401 -5.945 469 HA GLU 67 HA GLU 67 -5.705 -1.207 -5.413 470 1HB GLU 67 1HB GLU 67 -2.859 -0.113 -5.513 471 2HB GLU 67 2HB GLU 67 -3.310 -1.802 -5.639 472 1HG GLU 67 1HG GLU 67 -4.684 -1.232 -7.692 473 2HG GLU 67 2HG GLU 67 -4.094 0.415 -7.589 474 H PHE 68 H PHE 68 -3.698 1.178 -3.559 475 HA PHE 68 HA PHE 68 -3.130 -0.423 -1.394 476 1HB PHE 68 1HB PHE 68 -2.207 1.866 -1.918 477 2HB PHE 68 2HB PHE 68 -3.784 2.576 -1.634 478 HD1 PHE 68 HD1 PHE 68 -0.662 1.873 -0.198 479 HD2 PHE 68 HD2 PHE 68 -4.786 2.127 0.767 480 HE1 PHE 68 HE1 PHE 68 -0.076 2.210 2.219 481 HE2 PHE 68 HE2 PHE 68 -4.200 2.464 3.184 482 HZ PHE 68 HZ PHE 68 -1.852 2.501 3.882 483 H LEU 69 H LEU 69 -5.849 1.976 -1.734 484 HA LEU 69 HA LEU 69 -7.076 1.698 0.618 485 1HB LEU 69 1HB LEU 69 -8.383 3.070 -0.504 486 2HB LEU 69 2HB LEU 69 -7.804 2.467 -2.045 487 HG LEU 69 HG LEU 69 -9.476 0.564 -1.800 488 1HD1 LEU 69 1HD1 LEU 69 -11.160 2.169 0.005 489 2HD1 LEU 69 2HD1 LEU 69 -10.911 0.409 -0.085 490 3HD1 LEU 69 3HD1 LEU 69 -9.735 1.431 0.775 491 1HD2 LEU 69 1HD2 LEU 69 -10.268 3.445 -2.182 492 2HD2 LEU 69 2HD2 LEU 69 -9.998 2.176 -3.401 493 3HD2 LEU 69 3HD2 LEU 69 -11.446 2.123 -2.367 494 H THR 70 H THR 70 -7.477 -0.573 -2.183 495 HA THR 70 HA THR 70 -9.257 -2.307 -0.980 496 HB THR 70 HB THR 70 -6.985 -2.871 -2.959 497 HG1 THR 70 HG1 THR 70 -8.884 -2.405 -4.413 498 1HG2 THR 70 1HG2 THR 70 -9.455 -4.381 -2.080 499 2HG2 THR 70 2HG2 THR 70 -9.027 -4.401 -3.807 500 3HG2 THR 70 3HG2 THR 70 -7.876 -5.018 -2.598 501 H MET 71 H MET 71 -5.643 -2.351 -0.861 502 HA MET 71 HA MET 71 -5.361 -4.668 0.517 503 1HB MET 71 1HB MET 71 -3.516 -3.220 -0.415 504 2HB MET 71 2HB MET 71 -3.798 -2.047 0.856 505 1HG MET 71 1HG MET 71 -1.880 -3.525 1.419 506 2HG MET 71 2HG MET 71 -3.176 -3.711 2.584 507 1HE MET 71 1HE MET 71 -4.072 -5.446 3.285 508 2HE MET 71 2HE MET 71 -4.286 -7.059 2.564 509 3HE MET 71 3HE MET 71 -2.737 -6.622 3.324 510 H MET 72 H MET 72 -5.502 -1.334 1.983 511 HA MET 72 HA MET 72 -5.562 -2.242 4.587 512 1HB MET 72 1HB MET 72 -5.399 0.196 3.333 513 2HB MET 72 2HB MET 72 -7.069 0.269 3.858 514 1HG MET 72 1HG MET 72 -6.278 0.957 5.880 515 2HG MET 72 2HG MET 72 -5.753 -0.695 6.136 516 1HE MET 72 1HE MET 72 -2.972 2.074 7.132 517 2HE MET 72 2HE MET 72 -4.362 2.865 6.350 518 3HE MET 72 3HE MET 72 -4.630 1.579 7.551 519 H ALA 73 H ALA 73 -8.321 -1.015 2.547 520 HA ALA 73 HA ALA 73 -10.359 -1.439 4.283 521 1HB ALA 73 1HB ALA 73 -10.816 -2.263 1.450 522 2HB ALA 73 2HB ALA 73 -11.692 -1.082 2.453 523 3HB ALA 73 3HB ALA 73 -10.137 -0.639 1.710 524 H ARG 74 H ARG 74 -9.055 -3.850 1.892 525 HA ARG 74 HA ARG 74 -10.699 -5.892 2.719 526 1HB ARG 74 1HB ARG 74 -7.951 -5.860 1.398 527 2HB ARG 74 2HB ARG 74 -8.788 -7.367 1.712 528 1HG ARG 74 1HG ARG 74 -10.425 -5.252 0.373 529 2HG ARG 74 2HG ARG 74 -9.100 -5.888 -0.581 530 1HD ARG 74 1HD ARG 74 -9.933 -8.226 -0.142 531 2HD ARG 74 2HD ARG 74 -11.282 -7.562 0.758 532 HE ARG 74 HE ARG 74 -11.021 -6.457 -1.950 533 1HH1 ARG 74 2HH2 ARG 74 -12.406 -9.034 0.005 534 2HH1 ARG 74 1HH2 ARG 74 -13.666 -9.391 -1.129 535 1HH2 ARG 74 2HH1 ARG 74 -12.683 -6.926 -3.446 536 2HH2 ARG 74 1HH1 ARG 74 -13.825 -8.184 -3.105 537 H LYS 75 H LYS 75 -7.518 -4.734 3.905 538 HA LYS 75 HA LYS 75 -6.687 -6.843 5.408 539 1HB LYS 75 1HB LYS 75 -6.090 -4.079 5.159 540 2HB LYS 75 2HB LYS 75 -6.266 -4.400 6.872 541 1HG LYS 75 1HG LYS 75 -4.706 -6.410 5.267 542 2HG LYS 75 2HG LYS 75 -3.951 -4.850 5.531 543 1HD LYS 75 1HD LYS 75 -3.252 -5.776 7.506 544 2HD LYS 75 2HD LYS 75 -4.861 -5.366 8.068 545 1HE LYS 75 1HE LYS 75 -5.365 -7.560 8.348 546 2HE LYS 75 2HE LYS 75 -5.028 -7.886 6.660 547 1HZ LYS 75 1HZ LYS 75 -2.604 -7.809 7.438 548 2HZ LYS 75 2HZ LYS 75 -3.216 -8.055 8.932 549 3HZ LYS 75 3HZ LYS 75 -3.487 -9.147 7.749 550 H MET 76 H MET 76 -8.849 -4.148 6.547 551 HA MET 76 HA MET 76 -9.331 -5.210 9.018 552 1HB MET 76 1HB MET 76 -10.742 -3.330 7.123 553 2HB MET 76 2HB MET 76 -11.685 -3.911 8.481 554 1HG MET 76 1HG MET 76 -9.199 -3.216 9.629 555 2HG MET 76 2HG MET 76 -9.485 -1.955 8.446 556 1HE MET 76 1HE MET 76 -9.817 -0.728 11.653 557 2HE MET 76 2HE MET 76 -10.760 -1.989 12.483 558 3HE MET 76 3HE MET 76 -9.310 -2.431 11.550 559 H LYS 77 H LYS 77 -10.998 -5.822 5.881 560 HA LYS 77 HA LYS 77 -13.118 -7.305 6.920 561 1HB LYS 77 1HB LYS 77 -12.289 -6.400 4.427 562 2HB LYS 77 2HB LYS 77 -12.197 -8.143 4.269 563 1HG LYS 77 1HG LYS 77 -14.558 -8.238 5.305 564 2HG LYS 77 2HG LYS 77 -14.620 -6.497 5.116 565 1HD LYS 77 1HD LYS 77 -13.764 -8.008 2.683 566 2HD LYS 77 2HD LYS 77 -15.419 -8.285 3.186 567 1HE LYS 77 1HE LYS 77 -15.926 -6.363 2.072 568 2HE LYS 77 2HE LYS 77 -15.201 -5.518 3.425 569 1HZ LYS 77 1HZ LYS 77 -13.636 -6.461 1.130 570 2HZ LYS 77 2HZ LYS 77 -14.287 -4.965 1.208 571 3HZ LYS 77 3HZ LYS 77 -13.159 -5.423 2.297 572 H ASP 78 H ASP 78 -9.989 -8.437 5.451 573 HA ASP 78 HA ASP 78 -10.378 -11.084 5.904 574 1HB ASP 78 1HB ASP 78 -8.384 -9.610 4.831 575 2HB ASP 78 2HB ASP 78 -7.636 -9.924 6.384 576 H THR 79 H THR 79 -8.425 -8.758 7.937 577 HA THR 79 HA THR 79 -8.072 -10.528 10.083 578 HB THR 79 HB THR 79 -6.724 -8.445 9.518 579 HG1 THR 79 HG1 THR 79 -6.376 -9.059 11.640 580 1HG2 THR 79 1HG2 THR 79 -9.338 -7.195 9.924 581 2HG2 THR 79 2HG2 THR 79 -8.170 -6.579 11.117 582 3HG2 THR 79 3HG2 THR 79 -7.820 -6.443 9.377 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -17.020 1.668 -1.334 2 HA ALA 1 HA ALA 1 -16.956 -0.281 0.131 3 1HB ALA 1 1HB ALA 1 -14.761 0.159 -0.236 4 2HB ALA 1 2HB ALA 1 -14.961 1.901 0.070 5 3HB ALA 1 3HB ALA 1 -14.773 0.774 1.435 6 H ASP 2 H ASP 2 -19.134 0.280 1.297 7 HA ASP 2 HA ASP 2 -20.238 0.388 3.158 8 1HB ASP 2 1HB ASP 2 -17.460 -0.140 4.239 9 2HB ASP 2 2HB ASP 2 -18.753 0.209 5.369 10 H GLN 3 H GLN 3 -18.680 2.813 1.925 11 HA GLN 3 HA GLN 3 -18.508 4.951 2.260 12 1HB GLN 3 1HB GLN 3 -20.330 4.383 4.633 13 2HB GLN 3 2HB GLN 3 -19.863 6.006 4.166 14 1HG GLN 3 1HG GLN 3 -20.877 5.729 1.948 15 2HG GLN 3 2HG GLN 3 -21.188 4.031 2.251 16 1HE2 GLN 3 1HE2 GLN 3 -23.156 5.816 1.496 17 2HE2 GLN 3 2HE2 GLN 3 -24.303 6.027 2.778 18 H LEU 4 H LEU 4 -16.401 3.281 3.197 19 HA LEU 4 HA LEU 4 -15.568 4.644 5.656 20 1HB LEU 4 1HB LEU 4 -15.415 2.448 6.187 21 2HB LEU 4 2HB LEU 4 -15.144 1.935 4.534 22 HG LEU 4 HG LEU 4 -13.229 1.584 6.133 23 1HD1 LEU 4 1HD1 LEU 4 -12.283 3.376 3.927 24 2HD1 LEU 4 2HD1 LEU 4 -11.658 1.801 4.471 25 3HD1 LEU 4 3HD1 LEU 4 -13.164 1.883 3.525 26 1HD2 LEU 4 1HD2 LEU 4 -13.690 4.273 6.773 27 2HD2 LEU 4 2HD2 LEU 4 -12.362 3.232 7.341 28 3HD2 LEU 4 3HD2 LEU 4 -12.139 4.252 5.900 29 H THR 5 H THR 5 -14.510 3.650 2.343 30 HA THR 5 HA THR 5 -12.011 4.673 2.259 31 HB THR 5 HB THR 5 -13.392 3.485 0.442 32 HG1 THR 5 HG1 THR 5 -11.256 4.770 0.291 33 1HG2 THR 5 1HG2 THR 5 -15.326 4.778 0.012 34 2HG2 THR 5 2HG2 THR 5 -14.463 6.317 0.249 35 3HG2 THR 5 3HG2 THR 5 -14.218 5.379 -1.244 36 H GLU 6 H GLU 6 -15.029 6.498 2.539 37 HA GLU 6 HA GLU 6 -14.175 8.924 1.639 38 1HB GLU 6 1HB GLU 6 -16.508 8.337 2.339 39 2HB GLU 6 2HB GLU 6 -16.006 8.377 4.018 40 1HG GLU 6 1HG GLU 6 -15.601 10.731 3.972 41 2HG GLU 6 2HG GLU 6 -15.529 10.780 2.222 42 H GLU 7 H GLU 7 -14.131 7.746 5.087 43 HA GLU 7 HA GLU 7 -12.608 9.936 5.937 44 1HB GLU 7 1HB GLU 7 -12.314 8.510 8.034 45 2HB GLU 7 2HB GLU 7 -13.971 8.824 7.559 46 1HG GLU 7 1HG GLU 7 -14.308 6.622 6.759 47 2HG GLU 7 2HG GLU 7 -12.595 6.335 6.522 48 H GLN 8 H GLN 8 -11.838 6.647 4.761 49 HA GLN 8 HA GLN 8 -9.214 6.570 5.622 50 1HB GLN 8 1HB GLN 8 -10.620 4.663 4.681 51 2HB GLN 8 2HB GLN 8 -10.325 5.309 3.079 52 1HG GLN 8 1HG GLN 8 -8.706 3.505 3.643 53 2HG GLN 8 2HG GLN 8 -7.891 5.030 3.358 54 1HE2 GLN 8 1HE2 GLN 8 -7.097 6.246 5.100 55 2HE2 GLN 8 2HE2 GLN 8 -6.744 5.537 6.640 56 H ILE 9 H ILE 9 -10.511 7.398 2.319 57 HA ILE 9 HA ILE 9 -8.214 8.093 1.093 58 HB ILE 9 HB ILE 9 -10.976 9.274 0.924 59 1HG1 ILE 9 1HG1 ILE 9 -10.517 6.861 0.289 60 2HG1 ILE 9 2HG1 ILE 9 -11.282 7.860 -0.931 61 1HG2 ILE 9 1HG2 ILE 9 -10.251 10.962 -0.314 62 2HG2 ILE 9 2HG2 ILE 9 -8.567 10.423 -0.108 63 3HG2 ILE 9 3HG2 ILE 9 -9.540 9.805 -1.464 64 1HD1 ILE 9 1HD1 ILE 9 -9.171 6.323 -1.520 65 2HD1 ILE 9 2HD1 ILE 9 -9.395 7.911 -2.292 66 3HD1 ILE 9 3HD1 ILE 9 -8.273 7.738 -0.921 67 H ALA 10 H ALA 10 -10.051 9.997 3.518 68 HA ALA 10 HA ALA 10 -8.799 12.417 3.259 69 1HB ALA 10 1HB ALA 10 -10.619 11.239 4.969 70 2HB ALA 10 2HB ALA 10 -9.232 11.538 6.044 71 3HB ALA 10 3HB ALA 10 -9.967 12.886 5.143 72 H GLU 11 H GLU 11 -7.819 9.684 5.455 73 HA GLU 11 HA GLU 11 -5.403 10.962 6.102 74 1HB GLU 11 1HB GLU 11 -6.563 8.205 6.551 75 2HB GLU 11 2HB GLU 11 -4.879 8.502 6.935 76 1HG GLU 11 1HG GLU 11 -5.377 9.918 8.704 77 2HG GLU 11 2HG GLU 11 -6.823 10.549 7.940 78 H PHE 12 H PHE 12 -6.332 8.293 3.848 79 HA PHE 12 HA PHE 12 -3.835 7.513 3.048 80 1HB PHE 12 1HB PHE 12 -6.642 7.460 2.156 81 2HB PHE 12 2HB PHE 12 -5.592 7.631 0.763 82 HD1 PHE 12 HD1 PHE 12 -5.636 5.619 3.919 83 HD2 PHE 12 HD2 PHE 12 -5.021 5.668 -0.280 84 HE1 PHE 12 HE1 PHE 12 -5.183 3.150 3.956 85 HE2 PHE 12 HE2 PHE 12 -4.568 3.200 -0.243 86 HZ PHE 12 HZ PHE 12 -4.655 1.970 1.875 87 H LYS 13 H LYS 13 -5.647 10.465 2.239 88 HA LYS 13 HA LYS 13 -4.263 11.159 -0.077 89 1HB LYS 13 1HB LYS 13 -6.421 12.130 0.974 90 2HB LYS 13 2HB LYS 13 -5.349 13.151 1.911 91 1HG LYS 13 1HG LYS 13 -5.445 14.553 0.106 92 2HG LYS 13 2HG LYS 13 -4.262 13.468 -0.598 93 1HD LYS 13 1HD LYS 13 -5.948 13.608 -2.262 94 2HD LYS 13 2HD LYS 13 -6.282 12.082 -1.467 95 1HE LYS 13 1HE LYS 13 -8.181 12.917 -0.346 96 2HE LYS 13 2HE LYS 13 -7.621 14.576 -0.405 97 1HZ LYS 13 1HZ LYS 13 -8.209 14.748 -2.618 98 2HZ LYS 13 2HZ LYS 13 -8.283 13.134 -2.861 99 3HZ LYS 13 3HZ LYS 13 -9.442 13.883 -1.987 100 H GLU 14 H GLU 14 -3.743 12.318 3.333 101 HA GLU 14 HA GLU 14 -1.308 13.525 2.628 102 1HB GLU 14 1HB GLU 14 -2.970 13.942 4.652 103 2HB GLU 14 2HB GLU 14 -1.995 12.734 5.464 104 1HG GLU 14 1HG GLU 14 -0.899 14.745 6.037 105 2HG GLU 14 2HG GLU 14 0.064 14.156 4.696 106 H ALA 15 H ALA 15 -2.273 10.333 3.917 107 HA ALA 15 HA ALA 15 0.255 9.494 4.760 108 1HB ALA 15 1HB ALA 15 -1.853 7.665 3.591 109 2HB ALA 15 2HB ALA 15 -0.756 7.379 4.963 110 3HB ALA 15 3HB ALA 15 -2.124 8.503 5.138 111 H PHE 16 H PHE 16 -1.439 9.348 1.577 112 HA PHE 16 HA PHE 16 0.049 7.719 0.121 113 1HB PHE 16 1HB PHE 16 -1.789 9.297 -0.641 114 2HB PHE 16 2HB PHE 16 -0.675 10.643 -0.517 115 HD1 PHE 16 HD1 PHE 16 -0.835 7.298 -2.182 116 HD2 PHE 16 HD2 PHE 16 0.282 11.382 -2.473 117 HE1 PHE 16 HE1 PHE 16 -0.133 6.937 -4.565 118 HE2 PHE 16 HE2 PHE 16 0.984 11.020 -4.856 119 HZ PHE 16 HZ PHE 16 0.768 8.802 -5.873 120 H SER 17 H SER 17 1.046 11.090 1.011 121 HA SER 17 HA SER 17 3.283 11.336 -0.409 122 1HB SER 17 1HB SER 17 2.258 12.927 1.336 123 2HB SER 17 2HB SER 17 3.168 12.048 2.549 124 HG SER 17 HG SER 17 4.812 13.314 2.047 125 H LEU 18 H LEU 18 2.998 9.666 2.806 126 HA LEU 18 HA LEU 18 5.715 8.854 2.804 127 1HB LEU 18 1HB LEU 18 3.364 7.840 4.408 128 2HB LEU 18 2HB LEU 18 5.053 7.513 4.740 129 HG LEU 18 HG LEU 18 4.009 10.341 4.663 130 1HD1 LEU 18 1HD1 LEU 18 2.645 8.862 6.227 131 2HD1 LEU 18 2HD1 LEU 18 4.132 8.693 7.190 132 3HD1 LEU 18 3HD1 LEU 18 3.413 10.302 6.938 133 1HD2 LEU 18 1HD2 LEU 18 5.943 10.924 5.816 134 2HD2 LEU 18 2HD2 LEU 18 6.241 9.258 6.367 135 3HD2 LEU 18 3HD2 LEU 18 6.509 9.693 4.662 136 H PHE 19 H PHE 19 2.613 6.992 2.405 137 HA PHE 19 HA PHE 19 3.525 4.570 1.836 138 1HB PHE 19 1HB PHE 19 1.479 6.239 0.253 139 2HB PHE 19 2HB PHE 19 1.545 4.489 0.203 140 HD1 PHE 19 HD1 PHE 19 -0.943 5.730 0.906 141 HD2 PHE 19 HD2 PHE 19 2.363 4.825 3.407 142 HE1 PHE 19 HE1 PHE 19 -2.476 5.614 2.890 143 HE2 PHE 19 HE2 PHE 19 0.830 4.709 5.391 144 HZ PHE 19 HZ PHE 19 -1.571 5.106 5.109 145 H ASP 20 H ASP 20 3.673 7.401 -0.378 146 HA ASP 20 HA ASP 20 4.991 5.696 -2.319 147 1HB ASP 20 1HB ASP 20 3.066 7.267 -2.959 148 2HB ASP 20 2HB ASP 20 4.132 8.611 -2.602 149 H LYS 21 H LYS 21 7.202 5.596 -1.785 150 HA LYS 21 HA LYS 21 8.511 7.766 -0.496 151 1HB LYS 21 1HB LYS 21 9.853 5.411 -1.827 152 2HB LYS 21 2HB LYS 21 10.413 6.360 -0.464 153 1HG LYS 21 1HG LYS 21 8.032 4.452 -0.507 154 2HG LYS 21 2HG LYS 21 9.534 4.236 0.369 155 1HD LYS 21 1HD LYS 21 9.035 6.058 1.879 156 2HD LYS 21 2HD LYS 21 7.720 6.630 0.872 157 1HE LYS 21 1HE LYS 21 6.875 5.382 2.858 158 2HE LYS 21 2HE LYS 21 6.396 4.608 1.361 159 1HZ LYS 21 1HZ LYS 21 8.890 3.636 2.186 160 2HZ LYS 21 2HZ LYS 21 7.821 3.492 3.412 161 3HZ LYS 21 3HZ LYS 21 7.496 2.816 1.962 162 H ASP 22 H ASP 22 8.967 6.220 -3.759 163 HA ASP 22 HA ASP 22 10.720 7.931 -4.790 164 1HB ASP 22 1HB ASP 22 8.450 6.335 -5.890 165 2HB ASP 22 2HB ASP 22 9.030 7.604 -6.951 166 H GLY 23 H GLY 23 7.100 8.233 -5.198 167 1HA GLY 23 1HA GLY 23 5.907 10.213 -4.781 168 2HA GLY 23 2HA GLY 23 7.363 11.156 -5.024 169 H ASP 24 H ASP 24 6.144 8.467 -7.102 170 HA ASP 24 HA ASP 24 5.995 10.431 -9.245 171 1HB ASP 24 1HB ASP 24 6.009 8.186 -10.650 172 2HB ASP 24 2HB ASP 24 7.507 8.826 -10.006 173 H GLY 25 H GLY 25 4.393 7.711 -7.527 174 1HA GLY 25 1HA GLY 25 1.921 8.153 -7.346 175 2HA GLY 25 2HA GLY 25 1.933 8.177 -9.098 176 H THR 26 H THR 26 3.888 6.044 -6.937 177 HA THR 26 HA THR 26 2.164 3.798 -7.302 178 HB THR 26 HB THR 26 4.138 2.581 -8.597 179 HG1 THR 26 HG1 THR 26 5.631 4.064 -9.293 180 1HG2 THR 26 1HG2 THR 26 1.764 3.488 -9.505 181 2HG2 THR 26 2HG2 THR 26 2.809 4.670 -10.328 182 3HG2 THR 26 3HG2 THR 26 3.024 2.930 -10.632 183 H ILE 27 H ILE 27 2.294 2.695 -5.460 184 HA ILE 27 HA ILE 27 4.553 3.180 -3.742 185 HB ILE 27 HB ILE 27 1.891 1.838 -3.492 186 1HG1 ILE 27 1HG1 ILE 27 1.970 3.414 -1.408 187 2HG1 ILE 27 2HG1 ILE 27 3.301 4.186 -2.246 188 1HG2 ILE 27 1HG2 ILE 27 2.715 0.283 -2.126 189 2HG2 ILE 27 2HG2 ILE 27 4.317 1.057 -2.071 190 3HG2 ILE 27 3HG2 ILE 27 3.025 1.607 -0.977 191 1HD1 ILE 27 1HD1 ILE 27 1.467 5.404 -3.054 192 2HD1 ILE 27 2HD1 ILE 27 1.656 4.171 -4.324 193 3HD1 ILE 27 3HD1 ILE 27 0.402 3.977 -3.076 194 H THR 28 H THR 28 6.224 2.249 -5.138 195 HA THR 28 HA THR 28 6.275 -0.259 -6.186 196 HB THR 28 HB THR 28 8.516 1.272 -4.761 197 HG1 THR 28 HG1 THR 28 7.543 1.110 -7.527 198 1HG2 THR 28 1HG2 THR 28 9.863 -0.427 -5.490 199 2HG2 THR 28 2HG2 THR 28 8.484 -1.243 -6.265 200 3HG2 THR 28 3HG2 THR 28 9.394 0.004 -7.152 201 H THR 29 H THR 29 6.714 -2.354 -5.546 202 HA THR 29 HA THR 29 5.730 -3.227 -3.167 203 HB THR 29 HB THR 29 6.891 -5.331 -3.742 204 HG1 THR 29 HG1 THR 29 8.375 -3.410 -5.391 205 1HG2 THR 29 1HG2 THR 29 5.605 -5.566 -5.613 206 2HG2 THR 29 2HG2 THR 29 5.396 -3.799 -5.672 207 3HG2 THR 29 3HG2 THR 29 6.754 -4.564 -6.532 208 H LYS 30 H LYS 30 9.204 -2.491 -3.880 209 HA LYS 30 HA LYS 30 10.125 -3.157 -1.344 210 1HB LYS 30 1HB LYS 30 12.150 -2.199 -2.007 211 2HB LYS 30 2HB LYS 30 11.427 -2.743 -3.507 212 1HG LYS 30 1HG LYS 30 10.399 -0.289 -3.576 213 2HG LYS 30 2HG LYS 30 11.689 0.083 -2.451 214 1HD LYS 30 1HD LYS 30 12.383 -1.453 -4.957 215 2HD LYS 30 2HD LYS 30 12.056 0.262 -5.102 216 1HE LYS 30 1HE LYS 30 13.740 0.196 -2.889 217 2HE LYS 30 2HE LYS 30 14.376 -1.118 -3.860 218 1HZ LYS 30 1HZ LYS 30 13.905 0.898 -5.623 219 2HZ LYS 30 2HZ LYS 30 14.536 1.655 -4.320 220 3HZ LYS 30 3HZ LYS 30 15.361 0.443 -5.040 221 H GLU 31 H GLU 31 8.609 -0.189 -2.645 222 HA GLU 31 HA GLU 31 9.245 1.377 -0.410 223 1HB GLU 31 1HB GLU 31 7.222 1.622 -2.658 224 2HB GLU 31 2HB GLU 31 7.268 2.799 -1.361 225 1HG GLU 31 1HG GLU 31 9.536 3.444 -1.886 226 2HG GLU 31 2HG GLU 31 9.772 2.054 -2.926 227 H LEU 32 H LEU 32 6.736 -1.000 -1.141 228 HA LEU 32 HA LEU 32 4.891 -0.130 0.821 229 1HB LEU 32 1HB LEU 32 4.008 -1.394 -0.913 230 2HB LEU 32 2HB LEU 32 5.278 -2.598 -0.832 231 HG LEU 32 HG LEU 32 4.293 -3.185 1.496 232 1HD1 LEU 32 1HD1 LEU 32 2.789 -1.048 1.308 233 2HD1 LEU 32 2HD1 LEU 32 1.717 -2.128 0.385 234 3HD1 LEU 32 3HD1 LEU 32 2.160 -2.534 2.060 235 1HD2 LEU 32 1HD2 LEU 32 4.192 -4.776 -0.249 236 2HD2 LEU 32 2HD2 LEU 32 2.535 -4.638 0.387 237 3HD2 LEU 32 3HD2 LEU 32 2.971 -3.838 -1.142 238 H GLY 33 H GLY 33 7.570 -2.550 0.743 239 1HA GLY 33 1HA GLY 33 7.134 -3.554 3.344 240 2HA GLY 33 2HA GLY 33 8.603 -3.671 2.397 241 H THR 34 H THR 34 8.695 -0.621 2.077 242 HA THR 34 HA THR 34 10.332 -0.122 4.331 243 HB THR 34 HB THR 34 9.165 1.712 2.170 244 HG1 THR 34 HG1 THR 34 11.610 0.145 2.594 245 1HG2 THR 34 1HG2 THR 34 10.684 3.347 2.823 246 2HG2 THR 34 2HG2 THR 34 10.441 2.600 4.421 247 3HG2 THR 34 3HG2 THR 34 11.853 2.152 3.435 248 H VAL 35 H VAL 35 7.173 1.362 3.326 249 HA VAL 35 HA VAL 35 6.765 2.927 5.493 250 HB VAL 35 HB VAL 35 5.002 1.400 3.636 251 1HG1 VAL 35 1HG1 VAL 35 3.852 1.209 5.813 252 2HG1 VAL 35 2HG1 VAL 35 3.931 2.977 6.001 253 3HG1 VAL 35 3HG1 VAL 35 2.971 2.265 4.682 254 1HG2 VAL 35 1HG2 VAL 35 4.192 4.008 3.621 255 2HG2 VAL 35 2HG2 VAL 35 5.905 4.180 4.073 256 3HG2 VAL 35 3HG2 VAL 35 5.461 3.336 2.570 257 H MET 36 H MET 36 5.769 -0.556 5.184 258 HA MET 36 HA MET 36 4.624 -0.957 7.534 259 1HB MET 36 1HB MET 36 6.751 -2.710 6.182 260 2HB MET 36 2HB MET 36 5.665 -3.296 7.426 261 1HG MET 36 1HG MET 36 4.529 -1.947 4.956 262 2HG MET 36 2HG MET 36 5.030 -3.624 4.876 263 1HE MET 36 1HE MET 36 3.112 -5.618 5.659 264 2HE MET 36 2HE MET 36 1.606 -4.764 5.243 265 3HE MET 36 3HE MET 36 3.073 -4.508 4.268 266 H ARG 37 H ARG 37 8.206 -0.899 6.981 267 HA ARG 37 HA ARG 37 9.022 -1.621 9.441 268 1HB ARG 37 1HB ARG 37 10.265 0.631 7.785 269 2HB ARG 37 2HB ARG 37 11.099 -0.369 8.958 270 1HG ARG 37 1HG ARG 37 10.103 -2.339 7.365 271 2HG ARG 37 2HG ARG 37 10.191 -1.053 6.178 272 1HD ARG 37 1HD ARG 37 12.570 -0.764 6.515 273 2HD ARG 37 2HD ARG 37 12.556 -1.727 7.979 274 HE ARG 37 HE ARG 37 12.482 -3.709 6.682 275 1HH1 ARG 37 2HH2 ARG 37 12.110 -0.869 4.638 276 2HH1 ARG 37 1HH2 ARG 37 12.345 -1.742 3.161 277 1HH2 ARG 37 2HH1 ARG 37 12.793 -4.862 4.733 278 2HH2 ARG 37 1HH1 ARG 37 12.736 -4.029 3.216 279 H SER 38 H SER 38 8.042 1.668 8.285 280 HA SER 38 HA SER 38 8.729 3.155 10.414 281 1HB SER 38 1HB SER 38 7.342 3.624 8.143 282 2HB SER 38 2HB SER 38 5.994 3.626 9.262 283 HG SER 38 HG SER 38 8.382 5.249 9.525 284 H LEU 39 H LEU 39 6.039 0.827 10.107 285 HA LEU 39 HA LEU 39 4.685 1.662 12.451 286 1HB LEU 39 1HB LEU 39 4.595 -0.911 10.870 287 2HB LEU 39 2HB LEU 39 3.510 -0.513 12.187 288 HG LEU 39 HG LEU 39 3.659 1.500 10.017 289 1HD1 LEU 39 1HD1 LEU 39 3.424 -1.228 9.300 290 2HD1 LEU 39 2HD1 LEU 39 1.803 -0.506 9.152 291 3HD1 LEU 39 3HD1 LEU 39 3.179 0.211 8.280 292 1HD2 LEU 39 1HD2 LEU 39 1.262 0.197 11.324 293 2HD2 LEU 39 2HD2 LEU 39 2.135 1.584 12.019 294 3HD2 LEU 39 3HD2 LEU 39 1.331 1.740 10.439 295 H GLY 40 H GLY 40 7.161 -0.847 11.685 296 1HA GLY 40 1HA GLY 40 8.856 -1.138 13.421 297 2HA GLY 40 2HA GLY 40 7.561 -1.158 14.602 298 H GLN 41 H GLN 41 7.876 -2.745 11.347 299 HA GLN 41 HA GLN 41 7.538 -5.277 12.756 300 1HB GLN 41 1HB GLN 41 5.959 -4.084 10.583 301 2HB GLN 41 2HB GLN 41 6.558 -5.673 10.149 302 1HG GLN 41 1HG GLN 41 5.341 -5.298 12.890 303 2HG GLN 41 2HG GLN 41 4.268 -5.380 11.507 304 1HE2 GLN 41 1HE2 GLN 41 5.775 -7.124 13.844 305 2HE2 GLN 41 2HE2 GLN 41 5.769 -8.709 13.144 306 H ASN 42 H ASN 42 8.950 -3.468 9.999 307 HA ASN 42 HA ASN 42 10.643 -3.849 8.699 308 1HB ASN 42 1HB ASN 42 11.502 -4.598 11.285 309 2HB ASN 42 2HB ASN 42 12.032 -5.930 10.277 310 1HD2 ASN 42 1HD2 ASN 42 11.995 -2.395 10.516 311 2HD2 ASN 42 2HD2 ASN 42 13.512 -2.097 9.735 312 HA PRO 43 HA PRO 43 8.939 -8.002 7.564 313 1HB PRO 43 1HB PRO 43 7.274 -7.265 5.526 314 2HB PRO 43 2HB PRO 43 6.723 -7.519 7.170 315 1HG PRO 43 1HG PRO 43 7.142 -4.972 5.728 316 2HG PRO 43 2HG PRO 43 6.210 -5.270 7.183 317 1HD PRO 43 1HD PRO 43 8.808 -4.064 7.026 318 2HD PRO 43 2HD PRO 43 7.926 -4.467 8.485 319 H THR 44 H THR 44 8.848 -9.086 5.250 320 HA THR 44 HA THR 44 11.303 -8.092 3.968 321 HB THR 44 HB THR 44 11.182 -10.590 3.081 322 HG1 THR 44 HG1 THR 44 8.920 -10.642 4.080 323 1HG2 THR 44 1HG2 THR 44 12.166 -11.464 5.221 324 2HG2 THR 44 2HG2 THR 44 12.882 -9.900 4.764 325 3HG2 THR 44 3HG2 THR 44 11.650 -9.974 6.047 326 H GLU 45 H GLU 45 11.436 -7.846 1.723 327 HA GLU 45 HA GLU 45 9.060 -6.958 0.569 328 1HB GLU 45 1HB GLU 45 10.431 -6.619 -1.458 329 2HB GLU 45 2HB GLU 45 11.272 -6.047 -0.030 330 1HG GLU 45 1HG GLU 45 12.065 -8.727 -0.177 331 2HG GLU 45 2HG GLU 45 11.976 -8.259 -1.864 332 H ALA 46 H ALA 46 10.486 -10.111 0.879 333 HA ALA 46 HA ALA 46 9.472 -11.255 -1.500 334 1HB ALA 46 1HB ALA 46 10.637 -12.206 1.101 335 2HB ALA 46 2HB ALA 46 9.781 -13.381 0.074 336 3HB ALA 46 3HB ALA 46 11.187 -12.497 -0.567 337 H GLU 47 H GLU 47 8.365 -11.409 1.964 338 HA GLU 47 HA GLU 47 6.057 -12.789 1.431 339 1HB GLU 47 1HB GLU 47 6.802 -10.833 3.636 340 2HB GLU 47 2HB GLU 47 5.261 -11.667 3.632 341 1HG GLU 47 1HG GLU 47 7.930 -13.131 3.422 342 2HG GLU 47 2HG GLU 47 7.148 -12.802 4.955 343 H LEU 48 H LEU 48 6.757 -9.265 1.338 344 HA LEU 48 HA LEU 48 4.049 -8.513 0.967 345 1HB LEU 48 1HB LEU 48 6.717 -7.174 0.779 346 2HB LEU 48 2HB LEU 48 5.313 -6.378 0.095 347 HG LEU 48 HG LEU 48 5.857 -5.641 2.396 348 1HD1 LEU 48 1HD1 LEU 48 3.689 -5.102 2.008 349 2HD1 LEU 48 2HD1 LEU 48 3.222 -6.773 1.609 350 3HD1 LEU 48 3HD1 LEU 48 3.428 -6.288 3.310 351 1HD2 LEU 48 1HD2 LEU 48 6.734 -7.564 3.441 352 2HD2 LEU 48 2HD2 LEU 48 5.198 -7.223 4.272 353 3HD2 LEU 48 3HD2 LEU 48 5.286 -8.530 3.067 354 H GLN 49 H GLN 49 6.644 -9.703 -1.108 355 HA GLN 49 HA GLN 49 5.865 -8.674 -3.508 356 1HB GLN 49 1HB GLN 49 7.916 -10.101 -2.954 357 2HB GLN 49 2HB GLN 49 6.886 -11.512 -3.082 358 1HG GLN 49 1HG GLN 49 6.348 -10.982 -5.422 359 2HG GLN 49 2HG GLN 49 7.196 -9.452 -5.315 360 1HE2 GLN 49 1HE2 GLN 49 8.093 -10.704 -7.282 361 2HE2 GLN 49 2HE2 GLN 49 9.566 -11.577 -7.025 362 H ASP 50 H ASP 50 4.505 -11.398 -1.621 363 HA ASP 50 HA ASP 50 2.903 -12.355 -3.710 364 1HB ASP 50 1HB ASP 50 3.591 -13.560 -1.547 365 2HB ASP 50 2HB ASP 50 2.396 -12.590 -0.709 366 H MET 51 H MET 51 2.589 -9.905 -1.113 367 HA MET 51 HA MET 51 -0.196 -9.613 -1.349 368 1HB MET 51 1HB MET 51 2.099 -8.311 0.044 369 2HB MET 51 2HB MET 51 0.800 -7.196 -0.332 370 1HG MET 51 1HG MET 51 -0.556 -9.453 0.654 371 2HG MET 51 2HG MET 51 0.876 -9.374 1.661 372 1HE MET 51 1HE MET 51 -0.361 -7.180 4.288 373 2HE MET 51 2HE MET 51 0.081 -8.824 3.770 374 3HE MET 51 3HE MET 51 1.237 -7.486 3.565 375 H ILE 52 H ILE 52 2.577 -7.510 -2.424 376 HA ILE 52 HA ILE 52 1.146 -5.600 -3.732 377 HB ILE 52 HB ILE 52 3.180 -5.320 -5.135 378 1HG1 ILE 52 1HG1 ILE 52 5.137 -6.850 -4.162 379 2HG1 ILE 52 2HG1 ILE 52 3.821 -7.988 -3.946 380 1HG2 ILE 52 1HG2 ILE 52 3.405 -5.583 -2.136 381 2HG2 ILE 52 2HG2 ILE 52 4.716 -4.923 -3.142 382 3HG2 ILE 52 3HG2 ILE 52 3.128 -4.120 -3.112 383 1HD1 ILE 52 1HD1 ILE 52 3.776 -8.449 -6.162 384 2HD1 ILE 52 2HD1 ILE 52 3.599 -6.724 -6.561 385 3HD1 ILE 52 3HD1 ILE 52 5.221 -7.426 -6.348 386 H ASN 53 H ASN 53 2.249 -8.803 -5.009 387 HA ASN 53 HA ASN 53 1.270 -8.407 -7.557 388 1HB ASN 53 1HB ASN 53 2.534 -10.491 -6.093 389 2HB ASN 53 2HB ASN 53 1.032 -11.199 -6.652 390 1HD2 ASN 53 1HD2 ASN 53 4.114 -11.040 -7.377 391 2HD2 ASN 53 2HD2 ASN 53 4.110 -11.044 -9.109 392 H GLU 54 H GLU 54 -0.212 -9.483 -4.481 393 HA GLU 54 HA GLU 54 -2.548 -10.517 -5.640 394 1HB GLU 54 1HB GLU 54 -1.873 -11.225 -3.418 395 2HB GLU 54 2HB GLU 54 -1.882 -9.578 -2.821 396 1HG GLU 54 1HG GLU 54 -3.987 -10.129 -2.087 397 2HG GLU 54 2HG GLU 54 -4.451 -9.720 -3.727 398 H VAL 55 H VAL 55 -1.936 -7.454 -3.763 399 HA VAL 55 HA VAL 55 -4.428 -6.340 -4.229 400 HB VAL 55 HB VAL 55 -3.416 -4.270 -3.537 401 1HG1 VAL 55 1HG1 VAL 55 -2.446 -4.953 -1.414 402 2HG1 VAL 55 2HG1 VAL 55 -3.793 -6.037 -1.838 403 3HG1 VAL 55 3HG1 VAL 55 -2.112 -6.579 -2.057 404 1HG2 VAL 55 1HG2 VAL 55 -0.804 -5.637 -4.219 405 2HG2 VAL 55 2HG2 VAL 55 -1.444 -4.093 -4.830 406 3HG2 VAL 55 3HG2 VAL 55 -0.890 -4.221 -3.144 407 H ASP 56 H ASP 56 -1.364 -6.176 -6.129 408 HA ASP 56 HA ASP 56 -2.059 -4.289 -7.921 409 1HB ASP 56 1HB ASP 56 0.143 -5.299 -7.951 410 2HB ASP 56 2HB ASP 56 -0.517 -6.892 -8.266 411 H ALA 57 H ALA 57 -3.997 -4.176 -9.076 412 HA ALA 57 HA ALA 57 -5.200 -6.688 -9.962 413 1HB ALA 57 1HB ALA 57 -6.373 -3.883 -9.981 414 2HB ALA 57 2HB ALA 57 -7.242 -5.429 -10.137 415 3HB ALA 57 3HB ALA 57 -6.486 -4.985 -8.588 416 H ASP 58 H ASP 58 -4.515 -3.332 -11.193 417 HA ASP 58 HA ASP 58 -5.116 -3.573 -13.735 418 1HB ASP 58 1HB ASP 58 -2.809 -2.280 -14.133 419 2HB ASP 58 2HB ASP 58 -4.133 -1.526 -13.267 420 H GLY 59 H GLY 59 -2.335 -5.087 -12.048 421 1HA GLY 59 1HA GLY 59 -1.360 -7.090 -12.714 422 2HA GLY 59 2HA GLY 59 -1.900 -6.829 -14.360 423 H ASP 60 H ASP 60 0.624 -6.216 -11.982 424 HA ASP 60 HA ASP 60 2.447 -5.647 -14.041 425 1HB ASP 60 1HB ASP 60 2.503 -3.392 -12.105 426 2HB ASP 60 2HB ASP 60 2.801 -3.381 -13.832 427 H GLY 61 H GLY 61 1.728 -4.982 -10.526 428 1HA GLY 61 1HA GLY 61 2.763 -6.566 -8.947 429 2HA GLY 61 2HA GLY 61 4.258 -6.355 -9.835 430 H THR 62 H THR 62 1.880 -3.748 -9.138 431 HA THR 62 HA THR 62 3.657 -2.683 -7.077 432 HB THR 62 HB THR 62 2.721 -1.046 -9.487 433 HG1 THR 62 HG1 THR 62 4.275 -2.570 -10.222 434 1HG2 THR 62 1HG2 THR 62 3.354 0.509 -7.811 435 2HG2 THR 62 2HG2 THR 62 4.556 -0.599 -7.108 436 3HG2 THR 62 3HG2 THR 62 4.899 0.223 -8.649 437 H ILE 63 H ILE 63 2.615 -0.728 -5.982 438 HA ILE 63 HA ILE 63 -0.234 -1.359 -5.712 439 HB ILE 63 HB ILE 63 1.751 -0.122 -3.805 440 1HG1 ILE 63 1HG1 ILE 63 0.472 -2.826 -4.065 441 2HG1 ILE 63 2HG1 ILE 63 2.148 -2.410 -3.764 442 1HG2 ILE 63 1HG2 ILE 63 -0.359 1.007 -3.505 443 2HG2 ILE 63 2HG2 ILE 63 -1.232 -0.544 -3.481 444 3HG2 ILE 63 3HG2 ILE 63 -0.107 -0.135 -2.163 445 1HD1 ILE 63 1HD1 ILE 63 -0.172 -2.084 -1.807 446 2HD1 ILE 63 2HD1 ILE 63 1.156 -3.264 -1.697 447 3HD1 ILE 63 3HD1 ILE 63 1.490 -1.528 -1.495 448 H ASP 64 H ASP 64 -1.616 0.620 -5.059 449 HA ASP 64 HA ASP 64 -0.628 3.088 -6.104 450 1HB ASP 64 1HB ASP 64 -3.047 1.713 -7.369 451 2HB ASP 64 2HB ASP 64 -2.514 3.343 -7.730 452 H PHE 65 H PHE 65 -2.963 4.573 -6.229 453 HA PHE 65 HA PHE 65 -3.749 4.727 -3.543 454 1HB PHE 65 1HB PHE 65 -3.815 6.267 -5.882 455 2HB PHE 65 2HB PHE 65 -5.508 5.851 -5.705 456 HD1 PHE 65 HD1 PHE 65 -3.083 6.478 -2.966 457 HD2 PHE 65 HD2 PHE 65 -6.437 7.926 -5.126 458 HE1 PHE 65 HE1 PHE 65 -3.363 8.327 -1.292 459 HE2 PHE 65 HE2 PHE 65 -6.717 9.775 -3.452 460 HZ PHE 65 HZ PHE 65 -5.177 9.954 -1.555 461 HA PRO 66 HA PRO 66 -7.755 2.752 -5.131 462 1HB PRO 66 1HB PRO 66 -7.814 1.584 -7.602 463 2HB PRO 66 2HB PRO 66 -8.368 3.219 -7.301 464 1HG PRO 66 1HG PRO 66 -5.871 2.319 -8.601 465 2HG PRO 66 2HG PRO 66 -6.637 3.893 -8.667 466 1HD PRO 66 1HD PRO 66 -4.335 3.169 -7.117 467 2HD PRO 66 2HD PRO 66 -5.171 4.709 -7.095 468 H GLU 67 H GLU 67 -4.795 1.210 -6.099 469 HA GLU 67 HA GLU 67 -5.782 -1.383 -5.679 470 1HB GLU 67 1HB GLU 67 -3.049 -0.143 -6.021 471 2HB GLU 67 2HB GLU 67 -3.160 -1.808 -5.485 472 1HG GLU 67 1HG GLU 67 -4.651 -2.298 -7.478 473 2HG GLU 67 2HG GLU 67 -4.392 -0.656 -8.032 474 H PHE 68 H PHE 68 -3.450 0.641 -3.742 475 HA PHE 68 HA PHE 68 -3.343 -1.049 -1.565 476 1HB PHE 68 1HB PHE 68 -2.118 1.227 -2.351 477 2HB PHE 68 2HB PHE 68 -3.339 1.996 -1.356 478 HD1 PHE 68 HD1 PHE 68 -2.074 2.847 0.418 479 HD2 PHE 68 HD2 PHE 68 -1.596 -1.219 -0.699 480 HE1 PHE 68 HE1 PHE 68 -0.662 2.453 2.455 481 HE2 PHE 68 HE2 PHE 68 -0.183 -1.612 1.338 482 HZ PHE 68 HZ PHE 68 0.267 0.229 2.891 483 H LEU 69 H LEU 69 -5.747 1.437 -2.476 484 HA LEU 69 HA LEU 69 -6.969 1.851 -0.061 485 1HB LEU 69 1HB LEU 69 -7.920 3.218 -1.525 486 2HB LEU 69 2HB LEU 69 -7.602 2.155 -2.882 487 HG LEU 69 HG LEU 69 -9.611 0.773 -2.064 488 1HD1 LEU 69 1HD1 LEU 69 -10.350 1.381 -0.035 489 2HD1 LEU 69 2HD1 LEU 69 -9.661 3.018 -0.155 490 3HD1 LEU 69 3HD1 LEU 69 -11.223 2.651 -0.926 491 1HD2 LEU 69 1HD2 LEU 69 -11.153 2.824 -2.961 492 2HD2 LEU 69 2HD2 LEU 69 -9.544 3.336 -3.524 493 3HD2 LEU 69 3HD2 LEU 69 -10.191 1.748 -4.003 494 H THR 70 H THR 70 -7.793 -0.691 -2.527 495 HA THR 70 HA THR 70 -9.699 -1.961 -0.910 496 HB THR 70 HB THR 70 -8.013 -2.723 -3.331 497 HG1 THR 70 HG1 THR 70 -10.858 -2.361 -2.696 498 1HG2 THR 70 1HG2 THR 70 -8.728 -4.897 -3.273 499 2HG2 THR 70 2HG2 THR 70 -9.161 -4.625 -1.568 500 3HG2 THR 70 3HG2 THR 70 -10.380 -4.392 -2.843 501 H MET 71 H MET 71 -6.182 -2.647 -1.415 502 HA MET 71 HA MET 71 -6.031 -4.893 0.088 503 1HB MET 71 1HB MET 71 -4.147 -3.945 -1.223 504 2HB MET 71 2HB MET 71 -4.068 -2.548 -0.167 505 1HG MET 71 1HG MET 71 -3.702 -4.357 1.749 506 2HG MET 71 2HG MET 71 -3.254 -5.409 0.421 507 1HE MET 71 1HE MET 71 -0.440 -4.793 2.294 508 2HE MET 71 2HE MET 71 -0.641 -3.079 2.729 509 3HE MET 71 3HE MET 71 -1.991 -4.218 2.951 510 H MET 72 H MET 72 -5.384 -1.510 1.279 511 HA MET 72 HA MET 72 -5.077 -2.222 3.912 512 1HB MET 72 1HB MET 72 -4.785 0.065 2.515 513 2HB MET 72 2HB MET 72 -6.393 0.401 3.124 514 1HG MET 72 1HG MET 72 -4.402 -0.585 5.142 515 2HG MET 72 2HG MET 72 -4.116 1.020 4.500 516 1HE MET 72 1HE MET 72 -5.828 1.737 7.929 517 2HE MET 72 2HE MET 72 -4.997 0.186 7.660 518 3HE MET 72 3HE MET 72 -4.313 1.689 6.997 519 H ALA 73 H ALA 73 -8.024 -0.769 2.335 520 HA ALA 73 HA ALA 73 -9.729 -0.800 4.419 521 1HB ALA 73 1HB ALA 73 -10.665 -1.813 1.740 522 2HB ALA 73 2HB ALA 73 -11.417 -0.618 2.824 523 3HB ALA 73 3HB ALA 73 -9.982 -0.175 1.868 524 H ARG 74 H ARG 74 -9.268 -3.573 2.107 525 HA ARG 74 HA ARG 74 -10.876 -5.292 3.528 526 1HB ARG 74 1HB ARG 74 -8.499 -5.844 1.684 527 2HB ARG 74 2HB ARG 74 -9.574 -7.103 2.258 528 1HG ARG 74 1HG ARG 74 -11.366 -5.192 1.301 529 2HG ARG 74 2HG ARG 74 -10.030 -5.040 0.177 530 1HD ARG 74 1HD ARG 74 -10.111 -7.659 0.035 531 2HD ARG 74 2HD ARG 74 -11.686 -7.518 0.791 532 HE ARG 74 HE ARG 74 -11.477 -5.701 -1.452 533 1HH1 ARG 74 2HH2 ARG 74 -11.944 -9.097 -0.657 534 2HH1 ARG 74 1HH2 ARG 74 -12.804 -9.452 -2.118 535 1HH2 ARG 74 2HH1 ARG 74 -12.611 -6.169 -3.380 536 2HH2 ARG 74 1HH1 ARG 74 -13.185 -7.776 -3.677 537 H LYS 75 H LYS 75 -7.435 -4.393 3.865 538 HA LYS 75 HA LYS 75 -6.396 -6.440 5.289 539 1HB LYS 75 1HB LYS 75 -5.471 -4.074 4.557 540 2HB LYS 75 2HB LYS 75 -5.870 -3.632 6.205 541 1HG LYS 75 1HG LYS 75 -3.605 -4.401 6.298 542 2HG LYS 75 2HG LYS 75 -4.559 -5.711 6.965 543 1HD LYS 75 1HD LYS 75 -4.161 -5.814 4.005 544 2HD LYS 75 2HD LYS 75 -2.705 -6.020 4.957 545 1HE LYS 75 1HE LYS 75 -4.895 -7.581 6.111 546 2HE LYS 75 2HE LYS 75 -4.694 -7.980 4.417 547 1HZ LYS 75 1HZ LYS 75 -3.115 -9.292 5.273 548 2HZ LYS 75 2HZ LYS 75 -2.186 -7.952 5.187 549 3HZ LYS 75 3HZ LYS 75 -2.870 -8.382 6.606 550 H MET 76 H MET 76 -8.193 -3.620 6.721 551 HA MET 76 HA MET 76 -8.184 -4.606 9.284 552 1HB MET 76 1HB MET 76 -9.698 -2.588 7.679 553 2HB MET 76 2HB MET 76 -10.568 -3.163 9.087 554 1HG MET 76 1HG MET 76 -8.008 -2.736 10.115 555 2HG MET 76 2HG MET 76 -8.154 -1.444 8.940 556 1HE MET 76 1HE MET 76 -9.059 0.649 9.413 557 2HE MET 76 2HE MET 76 -10.639 0.044 8.861 558 3HE MET 76 3HE MET 76 -10.526 1.002 10.357 559 H LYS 77 H LYS 77 -10.453 -5.184 6.555 560 HA LYS 77 HA LYS 77 -12.441 -6.466 8.034 561 1HB LYS 77 1HB LYS 77 -12.303 -5.581 5.537 562 2HB LYS 77 2HB LYS 77 -11.858 -7.241 5.199 563 1HG LYS 77 1HG LYS 77 -14.072 -7.329 7.028 564 2HG LYS 77 2HG LYS 77 -14.481 -6.158 5.789 565 1HD LYS 77 1HD LYS 77 -13.242 -8.696 4.800 566 2HD LYS 77 2HD LYS 77 -14.837 -8.863 5.508 567 1HE LYS 77 1HE LYS 77 -15.529 -6.857 3.988 568 2HE LYS 77 2HE LYS 77 -14.022 -7.133 3.139 569 1HZ LYS 77 1HZ LYS 77 -14.943 -8.828 2.110 570 2HZ LYS 77 2HZ LYS 77 -15.358 -9.563 3.508 571 3HZ LYS 77 3HZ LYS 77 -16.378 -8.493 2.814 572 H ASP 78 H ASP 78 -9.779 -7.909 6.016 573 HA ASP 78 HA ASP 78 -10.231 -10.488 6.651 574 1HB ASP 78 1HB ASP 78 -7.816 -8.870 5.919 575 2HB ASP 78 2HB ASP 78 -7.492 -10.462 6.576 576 H THR 79 H THR 79 -7.803 -8.270 8.246 577 HA THR 79 HA THR 79 -7.208 -10.014 10.357 578 HB THR 79 HB THR 79 -5.935 -7.942 9.426 579 HG1 THR 79 HG1 THR 79 -6.537 -8.195 12.289 580 1HG2 THR 79 1HG2 THR 79 -6.468 -5.802 10.241 581 2HG2 THR 79 2HG2 THR 79 -8.104 -6.459 10.000 582 3HG2 THR 79 3HG2 THR 79 -7.379 -6.451 11.626 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -17.929 5.734 -0.382 2 HA ALA 1 HA ALA 1 -16.122 6.689 0.532 3 1HB ALA 1 1HB ALA 1 -16.833 9.463 0.788 4 2HB ALA 1 2HB ALA 1 -15.623 8.719 -0.284 5 3HB ALA 1 3HB ALA 1 -17.305 8.904 -0.834 6 H ASP 2 H ASP 2 -19.369 7.910 1.485 7 HA ASP 2 HA ASP 2 -18.670 8.541 4.091 8 1HB ASP 2 1HB ASP 2 -21.122 8.189 2.493 9 2HB ASP 2 2HB ASP 2 -21.358 7.686 4.155 10 H GLN 3 H GLN 3 -18.808 5.542 2.443 11 HA GLN 3 HA GLN 3 -19.854 3.963 4.539 12 1HB GLN 3 1HB GLN 3 -19.142 3.606 1.809 13 2HB GLN 3 2HB GLN 3 -18.137 2.485 2.706 14 1HG GLN 3 1HG GLN 3 -20.945 2.552 3.657 15 2HG GLN 3 2HG GLN 3 -20.795 2.053 1.984 16 1HE2 GLN 3 1HE2 GLN 3 -21.458 0.638 4.542 17 2HE2 GLN 3 2HE2 GLN 3 -20.420 -0.747 4.604 18 H LEU 4 H LEU 4 -16.699 5.296 3.690 19 HA LEU 4 HA LEU 4 -15.514 5.050 6.061 20 1HB LEU 4 1HB LEU 4 -15.544 2.842 6.469 21 2HB LEU 4 2HB LEU 4 -15.649 2.404 4.775 22 HG LEU 4 HG LEU 4 -13.582 1.602 5.834 23 1HD1 LEU 4 1HD1 LEU 4 -12.372 1.851 3.950 24 2HD1 LEU 4 2HD1 LEU 4 -13.853 2.636 3.353 25 3HD1 LEU 4 3HD1 LEU 4 -12.505 3.626 3.962 26 1HD2 LEU 4 1HD2 LEU 4 -12.564 2.875 7.344 27 2HD2 LEU 4 2HD2 LEU 4 -11.960 3.876 6.002 28 3HD2 LEU 4 3HD2 LEU 4 -13.471 4.318 6.831 29 H THR 5 H THR 5 -14.993 4.245 2.580 30 HA THR 5 HA THR 5 -12.380 4.928 2.290 31 HB THR 5 HB THR 5 -14.868 5.150 0.574 32 HG1 THR 5 HG1 THR 5 -13.899 3.255 -0.110 33 1HG2 THR 5 1HG2 THR 5 -13.285 7.042 -0.119 34 2HG2 THR 5 2HG2 THR 5 -12.032 5.804 -0.373 35 3HG2 THR 5 3HG2 THR 5 -13.513 5.785 -1.360 36 H GLU 6 H GLU 6 -15.050 7.056 3.130 37 HA GLU 6 HA GLU 6 -13.948 9.430 2.257 38 1HB GLU 6 1HB GLU 6 -16.265 9.308 2.967 39 2HB GLU 6 2HB GLU 6 -15.812 8.793 4.579 40 1HG GLU 6 1HG GLU 6 -15.014 10.934 5.192 41 2HG GLU 6 2HG GLU 6 -14.750 11.427 3.531 42 H GLU 7 H GLU 7 -13.833 7.919 5.568 43 HA GLU 7 HA GLU 7 -12.001 9.835 6.495 44 1HB GLU 7 1HB GLU 7 -11.794 8.248 8.459 45 2HB GLU 7 2HB GLU 7 -13.436 8.734 8.088 46 1HG GLU 7 1HG GLU 7 -14.030 6.629 7.254 47 2HG GLU 7 2HG GLU 7 -12.397 6.244 6.748 48 H GLN 8 H GLN 8 -11.743 6.753 4.783 49 HA GLN 8 HA GLN 8 -9.087 6.228 5.516 50 1HB GLN 8 1HB GLN 8 -10.723 4.540 4.607 51 2HB GLN 8 2HB GLN 8 -10.607 5.308 3.036 52 1HG GLN 8 1HG GLN 8 -9.086 3.395 3.084 53 2HG GLN 8 2HG GLN 8 -8.134 4.865 3.017 54 1HE2 GLN 8 1HE2 GLN 8 -8.606 1.956 4.559 55 2HE2 GLN 8 2HE2 GLN 8 -7.689 2.207 6.006 56 H ILE 9 H ILE 9 -10.536 7.469 2.412 57 HA ILE 9 HA ILE 9 -8.128 8.058 1.188 58 HB ILE 9 HB ILE 9 -9.433 9.441 -0.304 59 1HG1 ILE 9 1HG1 ILE 9 -12.072 9.189 0.712 60 2HG1 ILE 9 2HG1 ILE 9 -11.093 9.830 2.016 61 1HG2 ILE 9 1HG2 ILE 9 -11.405 7.686 -0.613 62 2HG2 ILE 9 2HG2 ILE 9 -9.711 7.286 -0.987 63 3HG2 ILE 9 3HG2 ILE 9 -10.429 6.764 0.556 64 1HD1 ILE 9 1HD1 ILE 9 -12.108 11.558 0.407 65 2HD1 ILE 9 2HD1 ILE 9 -10.358 11.701 0.696 66 3HD1 ILE 9 3HD1 ILE 9 -10.954 10.960 -0.809 67 H ALA 10 H ALA 10 -9.694 9.551 3.907 68 HA ALA 10 HA ALA 10 -8.722 12.168 3.581 69 1HB ALA 10 1HB ALA 10 -10.274 10.661 5.436 70 2HB ALA 10 2HB ALA 10 -8.943 11.407 6.354 71 3HB ALA 10 3HB ALA 10 -10.035 12.424 5.384 72 H GLU 11 H GLU 11 -7.530 9.444 5.683 73 HA GLU 11 HA GLU 11 -5.144 10.821 6.236 74 1HB GLU 11 1HB GLU 11 -6.422 8.281 6.975 75 2HB GLU 11 2HB GLU 11 -4.690 8.100 6.780 76 1HG GLU 11 1HG GLU 11 -4.294 10.002 8.333 77 2HG GLU 11 2HG GLU 11 -6.021 10.252 8.493 78 H PHE 12 H PHE 12 -6.082 8.156 3.988 79 HA PHE 12 HA PHE 12 -3.630 7.398 3.089 80 1HB PHE 12 1HB PHE 12 -6.455 7.574 2.122 81 2HB PHE 12 2HB PHE 12 -5.294 7.513 0.810 82 HD1 PHE 12 HD1 PHE 12 -5.898 5.768 4.064 83 HD2 PHE 12 HD2 PHE 12 -4.800 5.428 -0.021 84 HE1 PHE 12 HE1 PHE 12 -5.750 3.274 4.310 85 HE2 PHE 12 HE2 PHE 12 -4.652 2.935 0.225 86 HZ PHE 12 HZ PHE 12 -5.129 1.888 2.388 87 H LYS 13 H LYS 13 -5.393 10.417 2.440 88 HA LYS 13 HA LYS 13 -4.036 11.181 0.129 89 1HB LYS 13 1HB LYS 13 -6.141 12.147 1.446 90 2HB LYS 13 2HB LYS 13 -4.934 13.223 2.122 91 1HG LYS 13 1HG LYS 13 -5.521 14.426 0.214 92 2HG LYS 13 2HG LYS 13 -4.173 13.500 -0.416 93 1HD LYS 13 1HD LYS 13 -5.599 12.759 -2.024 94 2HD LYS 13 2HD LYS 13 -6.319 11.752 -0.784 95 1HE LYS 13 1HE LYS 13 -8.121 13.224 -0.430 96 2HE LYS 13 2HE LYS 13 -7.228 14.626 -0.984 97 1HZ LYS 13 1HZ LYS 13 -8.750 14.044 -2.651 98 2HZ LYS 13 2HZ LYS 13 -7.289 13.590 -3.221 99 3HZ LYS 13 3HZ LYS 13 -8.323 12.467 -2.641 100 H GLU 14 H GLU 14 -3.433 12.173 3.577 101 HA GLU 14 HA GLU 14 -0.990 13.370 2.883 102 1HB GLU 14 1HB GLU 14 -2.658 13.590 5.006 103 2HB GLU 14 2HB GLU 14 -1.494 12.482 5.705 104 1HG GLU 14 1HG GLU 14 -0.422 14.881 4.227 105 2HG GLU 14 2HG GLU 14 -1.151 15.155 5.797 106 H ALA 15 H ALA 15 -1.999 10.122 3.935 107 HA ALA 15 HA ALA 15 0.523 9.194 4.735 108 1HB ALA 15 1HB ALA 15 -1.667 7.515 3.481 109 2HB ALA 15 2HB ALA 15 -0.516 7.064 4.761 110 3HB ALA 15 3HB ALA 15 -1.833 8.208 5.112 111 H PHE 16 H PHE 16 -1.203 9.241 1.563 112 HA PHE 16 HA PHE 16 0.315 7.686 0.028 113 1HB PHE 16 1HB PHE 16 -1.615 9.258 -0.595 114 2HB PHE 16 2HB PHE 16 -0.490 10.601 -0.544 115 HD1 PHE 16 HD1 PHE 16 -0.412 7.190 -2.082 116 HD2 PHE 16 HD2 PHE 16 0.014 11.375 -2.646 117 HE1 PHE 16 HE1 PHE 16 0.153 6.808 -4.498 118 HE2 PHE 16 HE2 PHE 16 0.579 10.992 -5.061 119 HZ PHE 16 HZ PHE 16 0.642 8.713 -5.958 120 H SER 17 H SER 17 1.202 11.019 1.117 121 HA SER 17 HA SER 17 3.429 11.363 -0.380 122 1HB SER 17 1HB SER 17 2.435 13.067 1.134 123 2HB SER 17 2HB SER 17 2.999 12.172 2.531 124 HG SER 17 HG SER 17 5.207 12.447 1.201 125 H LEU 18 H LEU 18 3.150 9.766 2.871 126 HA LEU 18 HA LEU 18 5.900 9.082 2.954 127 1HB LEU 18 1HB LEU 18 3.485 8.201 4.531 128 2HB LEU 18 2HB LEU 18 5.101 7.600 4.847 129 HG LEU 18 HG LEU 18 4.276 10.514 4.979 130 1HD1 LEU 18 1HD1 LEU 18 4.067 10.352 7.276 131 2HD1 LEU 18 2HD1 LEU 18 3.344 8.823 6.722 132 3HD1 LEU 18 3HD1 LEU 18 5.004 8.841 7.365 133 1HD2 LEU 18 1HD2 LEU 18 6.428 11.036 5.050 134 2HD2 LEU 18 2HD2 LEU 18 6.683 9.916 6.410 135 3HD2 LEU 18 3HD2 LEU 18 6.841 9.334 4.735 136 H PHE 19 H PHE 19 2.895 7.082 2.496 137 HA PHE 19 HA PHE 19 3.990 4.695 1.990 138 1HB PHE 19 1HB PHE 19 1.737 6.268 0.628 139 2HB PHE 19 2HB PHE 19 2.009 4.582 0.236 140 HD1 PHE 19 HD1 PHE 19 2.701 3.531 2.951 141 HD2 PHE 19 HD2 PHE 19 -0.339 6.213 1.699 142 HE1 PHE 19 HE1 PHE 19 1.291 2.847 4.911 143 HE2 PHE 19 HE2 PHE 19 -1.750 5.529 3.660 144 HZ PHE 19 HZ PHE 19 -0.918 3.854 5.242 145 H ASP 20 H ASP 20 3.683 7.411 -0.383 146 HA ASP 20 HA ASP 20 5.010 5.823 -2.361 147 1HB ASP 20 1HB ASP 20 3.147 7.767 -2.563 148 2HB ASP 20 2HB ASP 20 4.566 8.791 -2.662 149 H LYS 21 H LYS 21 7.225 5.564 -1.857 150 HA LYS 21 HA LYS 21 8.688 7.717 -0.652 151 1HB LYS 21 1HB LYS 21 9.816 5.139 -1.757 152 2HB LYS 21 2HB LYS 21 10.485 6.170 -0.508 153 1HG LYS 21 1HG LYS 21 7.801 4.739 -0.237 154 2HG LYS 21 2HG LYS 21 9.313 4.063 0.336 155 1HD LYS 21 1HD LYS 21 9.648 6.101 1.781 156 2HD LYS 21 2HD LYS 21 8.099 6.717 1.241 157 1HE LYS 21 1HE LYS 21 6.876 5.069 2.402 158 2HE LYS 21 2HE LYS 21 8.206 3.928 2.402 159 1HZ LYS 21 1HZ LYS 21 7.869 6.294 4.081 160 2HZ LYS 21 2HZ LYS 21 8.134 4.749 4.539 161 3HZ LYS 21 3HZ LYS 21 9.343 5.623 3.874 162 H ASP 22 H ASP 22 8.797 5.941 -3.820 163 HA ASP 22 HA ASP 22 10.764 7.333 -4.995 164 1HB ASP 22 1HB ASP 22 8.283 5.958 -5.931 165 2HB ASP 22 2HB ASP 22 8.982 7.072 -7.089 166 H GLY 23 H GLY 23 7.211 8.127 -4.922 167 1HA GLY 23 1HA GLY 23 6.241 10.196 -4.801 168 2HA GLY 23 2HA GLY 23 7.801 10.963 -5.027 169 H ASP 24 H ASP 24 6.404 8.379 -7.113 170 HA ASP 24 HA ASP 24 6.427 10.346 -9.261 171 1HB ASP 24 1HB ASP 24 6.336 8.051 -10.635 172 2HB ASP 24 2HB ASP 24 7.854 8.697 -10.046 173 H GLY 25 H GLY 25 4.551 8.112 -7.303 174 1HA GLY 25 1HA GLY 25 2.159 8.524 -7.268 175 2HA GLY 25 2HA GLY 25 2.186 8.578 -9.019 176 H THR 26 H THR 26 4.171 6.260 -7.164 177 HA THR 26 HA THR 26 2.242 4.139 -7.445 178 HB THR 26 HB THR 26 3.977 2.822 -8.881 179 HG1 THR 26 HG1 THR 26 4.719 5.652 -9.127 180 1HG2 THR 26 1HG2 THR 26 1.805 3.988 -9.780 181 2HG2 THR 26 2HG2 THR 26 2.900 5.284 -10.320 182 3HG2 THR 26 3HG2 THR 26 3.094 3.633 -10.955 183 H ILE 27 H ILE 27 2.423 2.798 -5.759 184 HA ILE 27 HA ILE 27 4.808 3.100 -4.121 185 HB ILE 27 HB ILE 27 2.014 2.129 -3.679 186 1HG1 ILE 27 1HG1 ILE 27 2.211 3.680 -1.728 187 2HG1 ILE 27 2HG1 ILE 27 3.822 4.111 -2.267 188 1HG2 ILE 27 1HG2 ILE 27 3.553 0.371 -2.798 189 2HG2 ILE 27 2HG2 ILE 27 4.282 1.604 -1.741 190 3HG2 ILE 27 3HG2 ILE 27 2.565 1.172 -1.553 191 1HD1 ILE 27 1HD1 ILE 27 1.606 4.273 -4.295 192 2HD1 ILE 27 2HD1 ILE 27 1.663 5.516 -3.022 193 3HD1 ILE 27 3HD1 ILE 27 3.052 5.294 -4.112 194 H THR 28 H THR 28 6.488 1.834 -4.748 195 HA THR 28 HA THR 28 5.975 -0.722 -5.983 196 HB THR 28 HB THR 28 8.446 0.930 -5.275 197 HG1 THR 28 HG1 THR 28 6.823 1.291 -7.136 198 1HG2 THR 28 1HG2 THR 28 9.406 -0.871 -7.034 199 2HG2 THR 28 2HG2 THR 28 9.478 -1.180 -5.282 200 3HG2 THR 28 3HG2 THR 28 8.188 -1.915 -6.263 201 H THR 29 H THR 29 6.766 -2.769 -5.215 202 HA THR 29 HA THR 29 5.934 -3.517 -2.781 203 HB THR 29 HB THR 29 7.355 -5.487 -3.117 204 HG1 THR 29 HG1 THR 29 8.737 -3.570 -4.861 205 1HG2 THR 29 1HG2 THR 29 7.192 -4.574 -5.979 206 2HG2 THR 29 2HG2 THR 29 6.664 -6.112 -5.253 207 3HG2 THR 29 3HG2 THR 29 5.656 -4.654 -5.082 208 H LYS 30 H LYS 30 9.038 -1.897 -3.501 209 HA LYS 30 HA LYS 30 10.087 -2.310 -0.903 210 1HB LYS 30 1HB LYS 30 10.802 -0.545 -3.240 211 2HB LYS 30 2HB LYS 30 11.619 -0.369 -1.700 212 1HG LYS 30 1HG LYS 30 12.256 -2.777 -1.741 213 2HG LYS 30 2HG LYS 30 11.400 -2.990 -3.256 214 1HD LYS 30 1HD LYS 30 13.012 -1.862 -4.499 215 2HD LYS 30 2HD LYS 30 13.442 -0.791 -3.180 216 1HE LYS 30 1HE LYS 30 15.143 -2.152 -2.527 217 2HE LYS 30 2HE LYS 30 14.083 -3.545 -2.458 218 1HZ LYS 30 1HZ LYS 30 15.507 -4.096 -4.124 219 2HZ LYS 30 2HZ LYS 30 14.304 -3.432 -5.006 220 3HZ LYS 30 3HZ LYS 30 15.660 -2.575 -4.698 221 H GLU 31 H GLU 31 8.504 0.511 -2.549 222 HA GLU 31 HA GLU 31 8.612 2.258 -0.495 223 1HB GLU 31 1HB GLU 31 6.324 1.834 -2.468 224 2HB GLU 31 2HB GLU 31 6.536 3.274 -1.493 225 1HG GLU 31 1HG GLU 31 8.812 3.605 -2.537 226 2HG GLU 31 2HG GLU 31 8.521 2.212 -3.559 227 H LEU 32 H LEU 32 6.550 -0.613 -0.857 228 HA LEU 32 HA LEU 32 4.715 0.111 1.182 229 1HB LEU 32 1HB LEU 32 4.292 -1.466 -0.702 230 2HB LEU 32 2HB LEU 32 5.369 -2.617 0.064 231 HG LEU 32 HG LEU 32 2.684 -1.638 1.037 232 1HD1 LEU 32 1HD1 LEU 32 3.316 -4.508 1.056 233 2HD1 LEU 32 2HD1 LEU 32 1.887 -3.643 0.440 234 3HD1 LEU 32 3HD1 LEU 32 3.355 -3.760 -0.559 235 1HD2 LEU 32 1HD2 LEU 32 3.923 -1.560 3.027 236 2HD2 LEU 32 2HD2 LEU 32 3.139 -3.158 3.042 237 3HD2 LEU 32 3HD2 LEU 32 4.860 -3.015 2.609 238 H GLY 33 H GLY 33 7.450 -2.284 1.061 239 1HA GLY 33 1HA GLY 33 7.401 -2.884 3.798 240 2HA GLY 33 2HA GLY 33 8.740 -3.128 2.695 241 H THR 34 H THR 34 8.554 -0.065 2.036 242 HA THR 34 HA THR 34 10.561 0.716 3.880 243 HB THR 34 HB THR 34 8.915 2.197 1.764 244 HG1 THR 34 HG1 THR 34 10.623 1.453 0.508 245 1HG2 THR 34 1HG2 THR 34 10.193 4.089 2.101 246 2HG2 THR 34 2HG2 THR 34 10.397 3.447 3.749 247 3HG2 THR 34 3HG2 THR 34 11.642 3.140 2.514 248 H VAL 35 H VAL 35 7.049 1.451 3.556 249 HA VAL 35 HA VAL 35 7.082 3.300 5.705 250 HB VAL 35 HB VAL 35 4.985 1.853 4.115 251 1HG1 VAL 35 1HG1 VAL 35 3.343 3.396 5.407 252 2HG1 VAL 35 2HG1 VAL 35 3.867 1.872 6.164 253 3HG1 VAL 35 3HG1 VAL 35 4.601 3.414 6.666 254 1HG2 VAL 35 1HG2 VAL 35 6.176 4.573 4.221 255 2HG2 VAL 35 2HG2 VAL 35 5.550 3.643 2.838 256 3HG2 VAL 35 3HG2 VAL 35 4.423 4.491 3.924 257 H MET 36 H MET 36 6.099 -0.173 5.354 258 HA MET 36 HA MET 36 5.121 -0.665 7.775 259 1HB MET 36 1HB MET 36 7.136 -2.337 6.175 260 2HB MET 36 2HB MET 36 6.187 -2.986 7.498 261 1HG MET 36 1HG MET 36 4.763 -1.562 5.234 262 2HG MET 36 2HG MET 36 5.323 -3.204 4.986 263 1HE MET 36 1HE MET 36 3.582 -5.385 7.333 264 2HE MET 36 2HE MET 36 3.192 -5.200 5.606 265 3HE MET 36 3HE MET 36 4.879 -5.060 6.157 266 H ARG 37 H ARG 37 8.661 -1.055 6.998 267 HA ARG 37 HA ARG 37 9.397 -1.468 9.614 268 1HB ARG 37 1HB ARG 37 11.718 -0.863 8.793 269 2HB ARG 37 2HB ARG 37 10.901 -2.034 7.777 270 1HG ARG 37 1HG ARG 37 11.563 -0.592 6.103 271 2HG ARG 37 2HG ARG 37 10.062 0.211 6.520 272 1HD ARG 37 1HD ARG 37 11.227 1.810 7.959 273 2HD ARG 37 2HD ARG 37 12.730 0.920 7.825 274 HE ARG 37 HE ARG 37 12.003 1.533 5.182 275 1HH1 ARG 37 2HH2 ARG 37 12.719 3.345 8.113 276 2HH1 ARG 37 1HH2 ARG 37 13.320 4.729 7.263 277 1HH2 ARG 37 2HH1 ARG 37 12.796 3.360 4.060 278 2HH2 ARG 37 1HH1 ARG 37 13.364 4.738 4.942 279 H SER 38 H SER 38 8.643 1.474 7.810 280 HA SER 38 HA SER 38 10.087 3.310 9.247 281 1HB SER 38 1HB SER 38 8.458 3.477 7.126 282 2HB SER 38 2HB SER 38 7.291 3.974 8.335 283 HG SER 38 HG SER 38 9.355 5.411 7.232 284 H LEU 39 H LEU 39 7.371 1.326 10.177 285 HA LEU 39 HA LEU 39 6.607 3.102 12.339 286 1HB LEU 39 1HB LEU 39 5.551 0.423 11.428 287 2HB LEU 39 2HB LEU 39 4.917 1.330 12.786 288 HG LEU 39 HG LEU 39 4.960 2.315 9.920 289 1HD1 LEU 39 1HD1 LEU 39 2.734 1.069 11.550 290 2HD1 LEU 39 2HD1 LEU 39 2.490 1.948 10.021 291 3HD1 LEU 39 3HD1 LEU 39 3.459 0.455 10.045 292 1HD2 LEU 39 1HD2 LEU 39 3.157 3.888 11.034 293 2HD2 LEU 39 2HD2 LEU 39 4.089 3.533 12.508 294 3HD2 LEU 39 3HD2 LEU 39 4.893 4.273 11.103 295 H GLY 40 H GLY 40 7.557 -0.400 12.060 296 1HA GLY 40 1HA GLY 40 9.598 -0.168 14.022 297 2HA GLY 40 2HA GLY 40 8.127 -0.796 14.739 298 H GLN 41 H GLN 41 7.051 -2.263 12.523 299 HA GLN 41 HA GLN 41 8.219 -4.670 12.860 300 1HB GLN 41 1HB GLN 41 7.127 -5.129 10.479 301 2HB GLN 41 2HB GLN 41 6.122 -4.806 11.878 302 1HG GLN 41 1HG GLN 41 6.971 -2.311 10.572 303 2HG GLN 41 2HG GLN 41 6.137 -3.367 9.449 304 1HE2 GLN 41 1HE2 GLN 41 4.007 -3.933 9.774 305 2HE2 GLN 41 2HE2 GLN 41 2.959 -3.115 10.884 306 H ASN 42 H ASN 42 9.071 -6.032 10.754 307 HA ASN 42 HA ASN 42 10.926 -4.462 9.238 308 1HB ASN 42 1HB ASN 42 11.730 -6.199 11.535 309 2HB ASN 42 2HB ASN 42 12.632 -6.495 10.061 310 1HD2 ASN 42 1HD2 ASN 42 11.462 -3.885 12.164 311 2HD2 ASN 42 2HD2 ASN 42 12.817 -2.822 11.980 312 HA PRO 43 HA PRO 43 9.161 -8.317 7.404 313 1HB PRO 43 1HB PRO 43 7.580 -7.198 5.476 314 2HB PRO 43 2HB PRO 43 6.974 -7.693 7.044 315 1HG PRO 43 1HG PRO 43 7.521 -4.965 6.045 316 2HG PRO 43 2HG PRO 43 6.538 -5.457 7.410 317 1HD PRO 43 1HD PRO 43 9.179 -4.342 7.510 318 2HD PRO 43 2HD PRO 43 8.243 -4.942 8.864 319 H THR 44 H THR 44 9.066 -8.971 4.914 320 HA THR 44 HA THR 44 11.504 -7.755 3.788 321 HB THR 44 HB THR 44 11.576 -10.227 2.744 322 HG1 THR 44 HG1 THR 44 10.228 -10.466 5.336 323 1HG2 THR 44 1HG2 THR 44 12.692 -11.057 4.923 324 2HG2 THR 44 2HG2 THR 44 13.380 -9.571 4.227 325 3HG2 THR 44 3HG2 THR 44 12.279 -9.473 5.622 326 H GLU 45 H GLU 45 11.516 -7.148 1.659 327 HA GLU 45 HA GLU 45 9.151 -6.432 0.533 328 1HB GLU 45 1HB GLU 45 10.440 -6.032 -1.527 329 2HB GLU 45 2HB GLU 45 11.356 -5.521 -0.124 330 1HG GLU 45 1HG GLU 45 12.832 -7.379 -0.242 331 2HG GLU 45 2HG GLU 45 11.715 -8.334 -1.196 332 H ALA 46 H ALA 46 10.604 -9.589 0.706 333 HA ALA 46 HA ALA 46 9.457 -10.671 -1.648 334 1HB ALA 46 1HB ALA 46 11.410 -11.667 -0.577 335 2HB ALA 46 2HB ALA 46 10.489 -11.938 0.922 336 3HB ALA 46 3HB ALA 46 10.067 -12.836 -0.556 337 H GLU 47 H GLU 47 8.613 -11.041 1.875 338 HA GLU 47 HA GLU 47 6.323 -12.436 1.517 339 1HB GLU 47 1HB GLU 47 7.316 -10.530 3.621 340 2HB GLU 47 2HB GLU 47 5.639 -11.029 3.712 341 1HG GLU 47 1HG GLU 47 7.794 -13.121 3.313 342 2HG GLU 47 2HG GLU 47 7.518 -12.465 4.914 343 H LEU 48 H LEU 48 6.811 -8.861 1.415 344 HA LEU 48 HA LEU 48 4.052 -8.296 1.094 345 1HB LEU 48 1HB LEU 48 6.591 -6.721 0.735 346 2HB LEU 48 2HB LEU 48 5.023 -6.045 0.340 347 HG LEU 48 HG LEU 48 5.863 -5.408 2.586 348 1HD1 LEU 48 1HD1 LEU 48 3.559 -6.759 3.572 349 2HD1 LEU 48 2HD1 LEU 48 3.721 -5.069 3.037 350 3HD1 LEU 48 3HD1 LEU 48 3.264 -6.332 1.869 351 1HD2 LEU 48 1HD2 LEU 48 7.012 -7.541 3.100 352 2HD2 LEU 48 2HD2 LEU 48 5.930 -6.995 4.405 353 3HD2 LEU 48 3HD2 LEU 48 5.424 -8.314 3.322 354 H GLN 49 H GLN 49 6.684 -9.286 -1.033 355 HA GLN 49 HA GLN 49 5.838 -8.274 -3.407 356 1HB GLN 49 1HB GLN 49 7.934 -9.675 -2.843 357 2HB GLN 49 2HB GLN 49 6.934 -11.093 -3.084 358 1HG GLN 49 1HG GLN 49 6.384 -10.312 -5.399 359 2HG GLN 49 2HG GLN 49 7.385 -8.894 -5.158 360 1HE2 GLN 49 1HE2 GLN 49 8.843 -9.331 -6.731 361 2HE2 GLN 49 2HE2 GLN 49 9.984 -10.634 -6.686 362 H ASP 50 H ASP 50 4.604 -11.087 -1.559 363 HA ASP 50 HA ASP 50 3.019 -12.072 -3.641 364 1HB ASP 50 1HB ASP 50 3.705 -13.374 -1.613 365 2HB ASP 50 2HB ASP 50 2.701 -12.342 -0.614 366 H MET 51 H MET 51 2.657 -9.608 -1.080 367 HA MET 51 HA MET 51 -0.141 -9.427 -1.241 368 1HB MET 51 1HB MET 51 2.026 -7.484 -0.269 369 2HB MET 51 2HB MET 51 0.314 -7.208 -0.022 370 1HG MET 51 1HG MET 51 1.115 -9.916 0.828 371 2HG MET 51 2HG MET 51 2.025 -8.677 1.667 372 1HE MET 51 1HE MET 51 -0.374 -10.336 3.681 373 2HE MET 51 2HE MET 51 1.239 -9.589 3.601 374 3HE MET 51 3HE MET 51 -0.071 -8.783 4.496 375 H ILE 52 H ILE 52 2.504 -7.224 -2.435 376 HA ILE 52 HA ILE 52 0.934 -5.434 -3.765 377 HB ILE 52 HB ILE 52 2.948 -5.088 -5.213 378 1HG1 ILE 52 1HG1 ILE 52 5.002 -6.400 -4.141 379 2HG1 ILE 52 2HG1 ILE 52 3.775 -7.616 -3.845 380 1HG2 ILE 52 1HG2 ILE 52 2.497 -4.088 -2.894 381 2HG2 ILE 52 2HG2 ILE 52 3.710 -5.247 -2.300 382 3HG2 ILE 52 3HG2 ILE 52 4.163 -4.030 -3.517 383 1HD1 ILE 52 1HD1 ILE 52 3.281 -6.760 -6.492 384 2HD1 ILE 52 2HD1 ILE 52 5.053 -6.860 -6.363 385 3HD1 ILE 52 3HD1 ILE 52 4.052 -8.285 -5.993 386 H ASN 53 H ASN 53 2.192 -8.615 -4.931 387 HA ASN 53 HA ASN 53 1.204 -8.347 -7.498 388 1HB ASN 53 1HB ASN 53 2.622 -10.284 -6.018 389 2HB ASN 53 2HB ASN 53 1.137 -11.113 -6.439 390 1HD2 ASN 53 1HD2 ASN 53 3.444 -12.033 -7.435 391 2HD2 ASN 53 2HD2 ASN 53 3.590 -11.729 -9.134 392 H GLU 54 H GLU 54 -0.213 -9.416 -4.387 393 HA GLU 54 HA GLU 54 -2.497 -10.594 -5.522 394 1HB GLU 54 1HB GLU 54 -1.762 -11.228 -3.289 395 2HB GLU 54 2HB GLU 54 -1.881 -9.576 -2.717 396 1HG GLU 54 1HG GLU 54 -3.926 -10.344 -1.953 397 2HG GLU 54 2HG GLU 54 -4.427 -9.839 -3.554 398 H VAL 55 H VAL 55 -2.028 -7.478 -3.692 399 HA VAL 55 HA VAL 55 -4.569 -6.490 -4.126 400 HB VAL 55 HB VAL 55 -3.639 -4.355 -3.527 401 1HG1 VAL 55 1HG1 VAL 55 -2.154 -6.538 -2.027 402 2HG1 VAL 55 2HG1 VAL 55 -2.582 -4.921 -1.419 403 3HG1 VAL 55 3HG1 VAL 55 -3.862 -6.107 -1.774 404 1HG2 VAL 55 1HG2 VAL 55 -1.110 -4.162 -3.229 405 2HG2 VAL 55 2HG2 VAL 55 -0.983 -5.611 -4.256 406 3HG2 VAL 55 3HG2 VAL 55 -1.723 -4.125 -4.900 407 H ASP 56 H ASP 56 -1.543 -6.032 -6.071 408 HA ASP 56 HA ASP 56 -2.536 -4.330 -7.920 409 1HB ASP 56 1HB ASP 56 -0.163 -5.173 -7.728 410 2HB ASP 56 2HB ASP 56 -0.669 -6.692 -8.440 411 H ALA 57 H ALA 57 -4.509 -4.619 -8.997 412 HA ALA 57 HA ALA 57 -5.348 -7.294 -9.708 413 1HB ALA 57 1HB ALA 57 -7.207 -5.509 -10.723 414 2HB ALA 57 2HB ALA 57 -7.264 -6.253 -9.107 415 3HB ALA 57 3HB ALA 57 -6.554 -4.634 -9.317 416 H ASP 58 H ASP 58 -4.796 -4.122 -11.404 417 HA ASP 58 HA ASP 58 -5.203 -4.760 -13.906 418 1HB ASP 58 1HB ASP 58 -2.708 -3.513 -14.124 419 2HB ASP 58 2HB ASP 58 -4.255 -2.700 -14.007 420 H GLY 59 H GLY 59 -2.494 -5.890 -11.849 421 1HA GLY 59 1HA GLY 59 -1.324 -7.855 -12.128 422 2HA GLY 59 2HA GLY 59 -1.876 -7.975 -13.787 423 H ASP 60 H ASP 60 0.464 -6.412 -11.582 424 HA ASP 60 HA ASP 60 2.236 -6.149 -13.827 425 1HB ASP 60 1HB ASP 60 2.564 -3.751 -12.281 426 2HB ASP 60 2HB ASP 60 2.139 -3.892 -13.975 427 H GLY 61 H GLY 61 1.679 -5.258 -10.333 428 1HA GLY 61 1HA GLY 61 2.878 -6.634 -8.692 429 2HA GLY 61 2HA GLY 61 4.306 -6.465 -9.695 430 H THR 62 H THR 62 1.822 -3.960 -8.885 431 HA THR 62 HA THR 62 3.703 -2.638 -7.112 432 HB THR 62 HB THR 62 2.620 -1.292 -9.642 433 HG1 THR 62 HG1 THR 62 4.293 -2.718 -10.251 434 1HG2 THR 62 1HG2 THR 62 4.891 -0.427 -7.792 435 2HG2 THR 62 2HG2 THR 62 4.104 0.526 -9.073 436 3HG2 THR 62 3HG2 THR 62 3.224 0.157 -7.570 437 H ILE 63 H ILE 63 2.721 -0.931 -5.839 438 HA ILE 63 HA ILE 63 -0.069 -1.554 -5.386 439 HB ILE 63 HB ILE 63 1.892 0.172 -3.869 440 1HG1 ILE 63 1HG1 ILE 63 1.267 -2.723 -3.845 441 2HG1 ILE 63 2HG1 ILE 63 2.743 -1.880 -3.418 442 1HG2 ILE 63 1HG2 ILE 63 0.231 0.097 -2.049 443 2HG2 ILE 63 2HG2 ILE 63 -0.377 0.943 -3.493 444 3HG2 ILE 63 3HG2 ILE 63 -0.913 -0.718 -3.143 445 1HD1 ILE 63 1HD1 ILE 63 1.715 -1.132 -1.277 446 2HD1 ILE 63 2HD1 ILE 63 0.213 -1.983 -1.711 447 3HD1 ILE 63 3HD1 ILE 63 1.707 -2.907 -1.419 448 H ASP 64 H ASP 64 -1.620 0.309 -4.968 449 HA ASP 64 HA ASP 64 -0.944 2.688 -6.427 450 1HB ASP 64 1HB ASP 64 -2.071 0.772 -7.929 451 2HB ASP 64 2HB ASP 64 -3.544 1.330 -7.161 452 H PHE 65 H PHE 65 -2.589 4.430 -5.979 453 HA PHE 65 HA PHE 65 -3.410 4.557 -3.394 454 1HB PHE 65 1HB PHE 65 -3.396 6.164 -5.630 455 2HB PHE 65 2HB PHE 65 -5.111 5.812 -5.566 456 HD1 PHE 65 HD1 PHE 65 -2.823 6.264 -2.677 457 HD2 PHE 65 HD2 PHE 65 -5.999 7.898 -4.969 458 HE1 PHE 65 HE1 PHE 65 -3.130 8.072 -0.963 459 HE2 PHE 65 HE2 PHE 65 -6.305 9.706 -3.255 460 HZ PHE 65 HZ PHE 65 -4.868 9.771 -1.273 461 HA PRO 66 HA PRO 66 -7.654 2.944 -4.768 462 1HB PRO 66 1HB PRO 66 -7.923 1.744 -7.209 463 2HB PRO 66 2HB PRO 66 -8.316 3.427 -6.920 464 1HG PRO 66 1HG PRO 66 -5.967 2.283 -8.303 465 2HG PRO 66 2HG PRO 66 -6.592 3.919 -8.371 466 1HD PRO 66 1HD PRO 66 -4.299 3.018 -6.902 467 2HD PRO 66 2HD PRO 66 -4.993 4.627 -6.879 468 H GLU 67 H GLU 67 -4.863 1.147 -5.766 469 HA GLU 67 HA GLU 67 -6.069 -1.347 -5.260 470 1HB GLU 67 1HB GLU 67 -3.219 -0.403 -5.688 471 2HB GLU 67 2HB GLU 67 -3.543 -2.065 -5.237 472 1HG GLU 67 1HG GLU 67 -4.892 -2.441 -7.217 473 2HG GLU 67 2HG GLU 67 -4.945 -0.729 -7.591 474 H PHE 68 H PHE 68 -3.494 0.529 -3.491 475 HA PHE 68 HA PHE 68 -3.281 -1.076 -1.306 476 1HB PHE 68 1HB PHE 68 -2.248 1.292 -2.163 477 2HB PHE 68 2HB PHE 68 -3.417 1.953 -1.036 478 HD1 PHE 68 HD1 PHE 68 -2.035 2.827 0.639 479 HD2 PHE 68 HD2 PHE 68 -1.453 -1.175 -0.645 480 HE1 PHE 68 HE1 PHE 68 -0.425 2.455 2.529 481 HE2 PHE 68 HE2 PHE 68 0.157 -1.548 1.244 482 HZ PHE 68 HZ PHE 68 0.652 0.272 2.809 483 H LEU 69 H LEU 69 -5.519 1.765 -1.699 484 HA LEU 69 HA LEU 69 -6.714 1.623 0.763 485 1HB LEU 69 1HB LEU 69 -8.088 3.200 -0.029 486 2HB LEU 69 2HB LEU 69 -6.923 3.235 -1.337 487 HG LEU 69 HG LEU 69 -8.509 1.479 -2.461 488 1HD1 LEU 69 1HD1 LEU 69 -10.941 2.142 -1.809 489 2HD1 LEU 69 2HD1 LEU 69 -10.069 0.922 -0.849 490 3HD1 LEU 69 3HD1 LEU 69 -10.210 2.592 -0.250 491 1HD2 LEU 69 1HD2 LEU 69 -9.389 3.165 -3.755 492 2HD2 LEU 69 2HD2 LEU 69 -9.667 4.242 -2.366 493 3HD2 LEU 69 3HD2 LEU 69 -8.017 3.998 -2.987 494 H THR 70 H THR 70 -7.508 -0.179 -2.265 495 HA THR 70 HA THR 70 -9.756 -1.492 -1.182 496 HB THR 70 HB THR 70 -7.859 -2.025 -3.520 497 HG1 THR 70 HG1 THR 70 -9.453 -0.134 -3.281 498 1HG2 THR 70 1HG2 THR 70 -10.644 -3.194 -3.295 499 2HG2 THR 70 2HG2 THR 70 -9.278 -3.737 -4.300 500 3HG2 THR 70 3HG2 THR 70 -9.287 -4.076 -2.553 501 H MET 71 H MET 71 -6.262 -2.353 -1.340 502 HA MET 71 HA MET 71 -6.493 -4.924 -0.465 503 1HB MET 71 1HB MET 71 -4.355 -4.056 -1.226 504 2HB MET 71 2HB MET 71 -4.380 -2.754 -0.054 505 1HG MET 71 1HG MET 71 -2.814 -4.666 0.544 506 2HG MET 71 2HG MET 71 -3.981 -4.276 1.793 507 1HE MET 71 1HE MET 71 -3.995 -8.061 2.306 508 2HE MET 71 2HE MET 71 -2.565 -7.075 1.914 509 3HE MET 71 3HE MET 71 -3.815 -6.435 3.008 510 H MET 72 H MET 72 -5.779 -2.000 1.589 511 HA MET 72 HA MET 72 -5.909 -3.325 3.985 512 1HB MET 72 1HB MET 72 -5.178 -0.875 3.345 513 2HB MET 72 2HB MET 72 -6.866 -0.452 3.557 514 1HG MET 72 1HG MET 72 -5.222 -1.864 5.711 515 2HG MET 72 2HG MET 72 -5.386 -0.122 5.623 516 1HE MET 72 1HE MET 72 -6.721 -0.890 8.474 517 2HE MET 72 2HE MET 72 -7.666 -2.383 8.259 518 3HE MET 72 3HE MET 72 -5.976 -2.312 7.704 519 H ALA 73 H ALA 73 -8.504 -1.311 2.409 520 HA ALA 73 HA ALA 73 -10.486 -1.683 4.230 521 1HB ALA 73 1HB ALA 73 -12.019 -1.420 2.219 522 2HB ALA 73 2HB ALA 73 -10.749 -0.182 2.374 523 3HB ALA 73 3HB ALA 73 -10.565 -1.505 1.197 524 H ARG 74 H ARG 74 -9.783 -3.793 1.352 525 HA ARG 74 HA ARG 74 -11.728 -5.641 1.960 526 1HB ARG 74 1HB ARG 74 -9.105 -5.839 0.415 527 2HB ARG 74 2HB ARG 74 -10.198 -7.204 0.532 528 1HG ARG 74 1HG ARG 74 -11.911 -5.109 -0.179 529 2HG ARG 74 2HG ARG 74 -10.449 -4.727 -1.068 530 1HD ARG 74 1HD ARG 74 -11.669 -7.522 -1.105 531 2HD ARG 74 2HD ARG 74 -12.164 -6.281 -2.239 532 HE ARG 74 HE ARG 74 -9.253 -6.665 -2.094 533 1HH1 ARG 74 2HH2 ARG 74 -12.242 -7.657 -3.665 534 2HH1 ARG 74 1HH2 ARG 74 -11.447 -8.257 -5.082 535 1HH2 ARG 74 2HH1 ARG 74 -8.205 -7.456 -3.964 536 2HH2 ARG 74 1HH1 ARG 74 -9.135 -8.141 -5.254 537 H LYS 75 H LYS 75 -8.404 -5.180 3.153 538 HA LYS 75 HA LYS 75 -7.959 -7.725 4.187 539 1HB LYS 75 1HB LYS 75 -6.322 -5.794 3.854 540 2HB LYS 75 2HB LYS 75 -6.925 -5.136 5.361 541 1HG LYS 75 1HG LYS 75 -4.990 -6.461 5.922 542 2HG LYS 75 2HG LYS 75 -6.385 -7.368 6.469 543 1HD LYS 75 1HD LYS 75 -5.606 -7.956 3.662 544 2HD LYS 75 2HD LYS 75 -4.370 -8.364 4.835 545 1HE LYS 75 1HE LYS 75 -6.968 -9.217 5.840 546 2HE LYS 75 2HE LYS 75 -6.742 -9.838 4.217 547 1HZ LYS 75 1HZ LYS 75 -4.673 -10.783 4.887 548 2HZ LYS 75 2HZ LYS 75 -4.763 -10.110 6.372 549 3HZ LYS 75 3HZ LYS 75 -5.823 -11.273 5.937 550 H MET 76 H MET 76 -9.166 -4.739 5.879 551 HA MET 76 HA MET 76 -9.719 -6.044 8.243 552 1HB MET 76 1HB MET 76 -11.050 -4.012 8.752 553 2HB MET 76 2HB MET 76 -9.592 -3.548 7.898 554 1HG MET 76 1HG MET 76 -10.740 -2.950 5.960 555 2HG MET 76 2HG MET 76 -11.993 -4.152 6.196 556 1HE MET 76 1HE MET 76 -14.110 -3.850 7.644 557 2HE MET 76 2HE MET 76 -13.013 -3.829 9.046 558 3HE MET 76 3HE MET 76 -14.282 -2.590 8.889 559 H LYS 77 H LYS 77 -11.398 -6.069 5.173 560 HA LYS 77 HA LYS 77 -13.999 -6.544 6.075 561 1HB LYS 77 1HB LYS 77 -12.682 -6.272 3.624 562 2HB LYS 77 2HB LYS 77 -13.324 -7.902 3.585 563 1HG LYS 77 1HG LYS 77 -15.551 -6.833 4.461 564 2HG LYS 77 2HG LYS 77 -14.846 -5.301 3.985 565 1HD LYS 77 1HD LYS 77 -14.851 -7.594 2.007 566 2HD LYS 77 2HD LYS 77 -16.332 -6.694 2.269 567 1HE LYS 77 1HE LYS 77 -15.205 -4.576 1.678 568 2HE LYS 77 2HE LYS 77 -13.661 -5.396 1.547 569 1HZ LYS 77 1HZ LYS 77 -15.953 -5.544 -0.229 570 2HZ LYS 77 2HZ LYS 77 -14.369 -5.388 -0.594 571 3HZ LYS 77 3HZ LYS 77 -14.962 -6.839 -0.136 572 H ASP 78 H ASP 78 -11.479 -8.904 4.927 573 HA ASP 78 HA ASP 78 -12.869 -11.151 5.516 574 1HB ASP 78 1HB ASP 78 -10.665 -11.039 4.328 575 2HB ASP 78 2HB ASP 78 -9.869 -10.672 5.846 576 H THR 79 H THR 79 -10.267 -9.597 7.560 577 HA THR 79 HA THR 79 -10.765 -11.168 9.831 578 HB THR 79 HB THR 79 -8.672 -9.823 9.219 579 HG1 THR 79 HG1 THR 79 -9.408 -10.652 11.426 580 1HG2 THR 79 1HG2 THR 79 -9.514 -7.474 10.725 581 2HG2 THR 79 2HG2 THR 79 -8.754 -7.542 9.117 582 3HG2 THR 79 3HG2 THR 79 -10.524 -7.640 9.269 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -18.329 10.174 4.647 2 HA ALA 1 HA ALA 1 -20.296 10.408 3.369 3 1HB ALA 1 1HB ALA 1 -18.674 9.710 1.299 4 2HB ALA 1 2HB ALA 1 -19.594 8.200 1.502 5 3HB ALA 1 3HB ALA 1 -20.451 9.729 1.196 6 H ASP 2 H ASP 2 -19.130 8.766 5.612 7 HA ASP 2 HA ASP 2 -19.688 7.135 6.928 8 1HB ASP 2 1HB ASP 2 -22.311 7.532 5.446 9 2HB ASP 2 2HB ASP 2 -22.175 6.304 6.688 10 H GLN 3 H GLN 3 -18.588 6.537 4.153 11 HA GLN 3 HA GLN 3 -19.531 3.781 4.007 12 1HB GLN 3 1HB GLN 3 -19.019 5.771 1.791 13 2HB GLN 3 2HB GLN 3 -18.763 4.066 1.479 14 1HG GLN 3 1HG GLN 3 -21.194 3.898 2.682 15 2HG GLN 3 2HG GLN 3 -21.323 5.531 2.059 16 1HE2 GLN 3 1HE2 GLN 3 -23.070 4.488 0.831 17 2HE2 GLN 3 2HE2 GLN 3 -22.711 3.757 -0.697 18 H LEU 4 H LEU 4 -17.067 5.742 4.966 19 HA LEU 4 HA LEU 4 -15.014 5.128 5.640 20 1HB LEU 4 1HB LEU 4 -15.947 2.693 5.037 21 2HB LEU 4 2HB LEU 4 -14.748 2.837 3.767 22 HG LEU 4 HG LEU 4 -13.532 1.801 5.412 23 1HD1 LEU 4 1HD1 LEU 4 -12.777 4.328 4.815 24 2HD1 LEU 4 2HD1 LEU 4 -12.864 4.431 6.590 25 3HD1 LEU 4 3HD1 LEU 4 -11.823 3.211 5.819 26 1HD2 LEU 4 1HD2 LEU 4 -13.974 1.738 7.638 27 2HD2 LEU 4 2HD2 LEU 4 -14.384 3.468 7.726 28 3HD2 LEU 4 3HD2 LEU 4 -15.562 2.306 7.071 29 H THR 5 H THR 5 -15.637 4.537 2.114 30 HA THR 5 HA THR 5 -13.331 5.146 0.964 31 HB THR 5 HB THR 5 -16.153 6.124 0.315 32 HG1 THR 5 HG1 THR 5 -15.761 3.832 0.235 33 1HG2 THR 5 1HG2 THR 5 -15.457 6.773 -1.844 34 2HG2 THR 5 2HG2 THR 5 -14.103 7.379 -0.860 35 3HG2 THR 5 3HG2 THR 5 -13.945 5.839 -1.741 36 H GLU 6 H GLU 6 -15.572 7.696 2.235 37 HA GLU 6 HA GLU 6 -13.875 9.780 1.567 38 1HB GLU 6 1HB GLU 6 -16.420 9.612 2.488 39 2HB GLU 6 2HB GLU 6 -15.626 10.046 3.988 40 1HG GLU 6 1HG GLU 6 -15.493 12.203 3.314 41 2HG GLU 6 2HG GLU 6 -14.517 11.728 1.938 42 H GLU 7 H GLU 7 -14.325 7.960 4.672 43 HA GLU 7 HA GLU 7 -12.472 9.428 6.103 44 1HB GLU 7 1HB GLU 7 -13.215 6.495 6.486 45 2HB GLU 7 2HB GLU 7 -12.522 7.551 7.701 46 1HG GLU 7 1HG GLU 7 -14.806 8.934 6.703 47 2HG GLU 7 2HG GLU 7 -15.313 7.267 6.893 48 H GLN 8 H GLN 8 -12.097 6.133 4.593 49 HA GLN 8 HA GLN 8 -9.459 5.820 5.107 50 1HB GLN 8 1HB GLN 8 -9.443 4.203 3.265 51 2HB GLN 8 2HB GLN 8 -10.955 4.083 4.143 52 1HG GLN 8 1HG GLN 8 -12.015 5.612 2.412 53 2HG GLN 8 2HG GLN 8 -10.517 5.560 1.506 54 1HE2 GLN 8 1HE2 GLN 8 -12.449 3.157 3.297 55 2HE2 GLN 8 2HE2 GLN 8 -12.598 1.999 2.018 56 H ILE 9 H ILE 9 -10.987 7.422 2.236 57 HA ILE 9 HA ILE 9 -8.608 7.990 0.908 58 HB ILE 9 HB ILE 9 -11.358 9.204 0.878 59 1HG1 ILE 9 1HG1 ILE 9 -10.948 6.883 -0.011 60 2HG1 ILE 9 2HG1 ILE 9 -11.650 8.016 -1.148 61 1HG2 ILE 9 1HG2 ILE 9 -8.873 10.277 -0.289 62 2HG2 ILE 9 2HG2 ILE 9 -10.229 10.109 -1.429 63 3HG2 ILE 9 3HG2 ILE 9 -10.427 11.073 0.054 64 1HD1 ILE 9 1HD1 ILE 9 -9.954 7.030 -2.438 65 2HD1 ILE 9 2HD1 ILE 9 -9.139 8.493 -1.833 66 3HD1 ILE 9 3HD1 ILE 9 -8.833 6.919 -1.059 67 H ALA 10 H ALA 10 -10.248 9.538 3.656 68 HA ALA 10 HA ALA 10 -8.941 12.002 3.543 69 1HB ALA 10 1HB ALA 10 -10.804 10.657 5.185 70 2HB ALA 10 2HB ALA 10 -9.448 11.089 6.255 71 3HB ALA 10 3HB ALA 10 -10.279 12.353 5.315 72 H GLU 11 H GLU 11 -8.132 8.937 5.314 73 HA GLU 11 HA GLU 11 -5.738 10.008 6.316 74 1HB GLU 11 1HB GLU 11 -7.299 7.745 6.797 75 2HB GLU 11 2HB GLU 11 -5.851 7.065 6.082 76 1HG GLU 11 1HG GLU 11 -4.770 8.928 7.827 77 2HG GLU 11 2HG GLU 11 -6.204 8.430 8.702 78 H PHE 12 H PHE 12 -6.558 7.801 3.565 79 HA PHE 12 HA PHE 12 -4.038 7.163 2.743 80 1HB PHE 12 1HB PHE 12 -6.786 7.257 1.760 81 2HB PHE 12 2HB PHE 12 -5.738 7.808 0.468 82 HD1 PHE 12 HD1 PHE 12 -6.108 5.015 2.906 83 HD2 PHE 12 HD2 PHE 12 -4.689 6.250 -0.898 84 HE1 PHE 12 HE1 PHE 12 -5.556 2.633 2.338 85 HE2 PHE 12 HE2 PHE 12 -4.137 3.868 -1.466 86 HZ PHE 12 HZ PHE 12 -4.577 2.088 0.159 87 H LYS 13 H LYS 13 -5.956 10.136 2.006 88 HA LYS 13 HA LYS 13 -4.405 11.257 0.085 89 1HB LYS 13 1HB LYS 13 -6.542 12.039 1.620 90 2HB LYS 13 2HB LYS 13 -5.300 13.146 2.167 91 1HG LYS 13 1HG LYS 13 -5.447 14.343 0.247 92 2HG LYS 13 2HG LYS 13 -5.114 12.916 -0.715 93 1HD LYS 13 1HD LYS 13 -7.406 12.378 -0.967 94 2HD LYS 13 2HD LYS 13 -7.882 13.288 0.454 95 1HE LYS 13 1HE LYS 13 -6.592 14.939 -1.659 96 2HE LYS 13 2HE LYS 13 -8.099 14.197 -2.159 97 1HZ LYS 13 1HZ LYS 13 -7.983 16.439 -0.804 98 2HZ LYS 13 2HZ LYS 13 -9.254 15.419 -0.701 99 3HZ LYS 13 3HZ LYS 13 -8.101 15.406 0.455 100 H GLU 14 H GLU 14 -3.972 11.735 3.666 101 HA GLU 14 HA GLU 14 -1.523 13.047 3.279 102 1HB GLU 14 1HB GLU 14 -3.292 12.384 5.475 103 2HB GLU 14 2HB GLU 14 -1.650 11.972 5.929 104 1HG GLU 14 1HG GLU 14 -0.913 14.280 5.191 105 2HG GLU 14 2HG GLU 14 -2.588 14.678 4.867 106 H ALA 15 H ALA 15 -2.497 9.667 4.015 107 HA ALA 15 HA ALA 15 -0.049 8.630 4.718 108 1HB ALA 15 1HB ALA 15 -1.685 6.905 2.971 109 2HB ALA 15 2HB ALA 15 -1.202 6.682 4.670 110 3HB ALA 15 3HB ALA 15 -2.611 7.693 4.271 111 H PHE 16 H PHE 16 -1.526 8.899 1.408 112 HA PHE 16 HA PHE 16 0.228 7.761 -0.169 113 1HB PHE 16 1HB PHE 16 -1.750 9.430 -0.622 114 2HB PHE 16 2HB PHE 16 -0.562 10.712 -0.494 115 HD1 PHE 16 HD1 PHE 16 -0.633 7.389 -2.214 116 HD2 PHE 16 HD2 PHE 16 -0.014 11.573 -2.550 117 HE1 PHE 16 HE1 PHE 16 -0.071 7.110 -4.644 118 HE2 PHE 16 HE2 PHE 16 0.549 11.295 -4.980 119 HZ PHE 16 HZ PHE 16 0.514 9.067 -5.998 120 H SER 17 H SER 17 0.788 11.040 1.288 121 HA SER 17 HA SER 17 3.121 11.651 0.128 122 1HB SER 17 1HB SER 17 1.875 13.068 1.766 123 2HB SER 17 2HB SER 17 2.429 12.042 3.074 124 HG SER 17 HG SER 17 3.674 14.114 2.546 125 H LEU 18 H LEU 18 2.804 9.871 3.295 126 HA LEU 18 HA LEU 18 5.556 9.185 3.317 127 1HB LEU 18 1HB LEU 18 3.168 8.306 4.933 128 2HB LEU 18 2HB LEU 18 4.780 7.673 5.203 129 HG LEU 18 HG LEU 18 4.017 10.600 5.394 130 1HD1 LEU 18 1HD1 LEU 18 4.289 10.287 7.837 131 2HD1 LEU 18 2HD1 LEU 18 2.923 9.370 7.157 132 3HD1 LEU 18 3HD1 LEU 18 4.440 8.534 7.569 133 1HD2 LEU 18 1HD2 LEU 18 6.288 10.590 6.680 134 2HD2 LEU 18 2HD2 LEU 18 6.604 9.117 5.732 135 3HD2 LEU 18 3HD2 LEU 18 6.270 10.656 4.901 136 H PHE 19 H PHE 19 2.513 7.273 2.776 137 HA PHE 19 HA PHE 19 3.497 4.847 2.295 138 1HB PHE 19 1HB PHE 19 1.101 5.717 2.082 139 2HB PHE 19 2HB PHE 19 1.525 6.429 0.538 140 HD1 PHE 19 HD1 PHE 19 0.286 5.274 -1.045 141 HD2 PHE 19 HD2 PHE 19 2.373 3.072 1.922 142 HE1 PHE 19 HE1 PHE 19 -0.329 3.132 -2.201 143 HE2 PHE 19 HE2 PHE 19 1.758 0.931 0.766 144 HZ PHE 19 HZ PHE 19 0.414 0.986 -1.281 145 H ASP 20 H ASP 20 3.539 7.601 -0.052 146 HA ASP 20 HA ASP 20 4.925 5.942 -1.938 147 1HB ASP 20 1HB ASP 20 3.145 7.820 -2.411 148 2HB ASP 20 2HB ASP 20 4.471 8.939 -2.166 149 H LYS 21 H LYS 21 7.086 5.606 -1.276 150 HA LYS 21 HA LYS 21 8.547 7.529 0.174 151 1HB LYS 21 1HB LYS 21 9.593 5.158 -1.398 152 2HB LYS 21 2HB LYS 21 10.411 6.003 -0.100 153 1HG LYS 21 1HG LYS 21 7.711 4.626 0.255 154 2HG LYS 21 2HG LYS 21 9.238 3.827 0.569 155 1HD LYS 21 1HD LYS 21 9.756 5.237 2.407 156 2HD LYS 21 2HD LYS 21 8.665 6.501 1.874 157 1HE LYS 21 1HE LYS 21 6.722 4.894 2.318 158 2HE LYS 21 2HE LYS 21 7.878 3.788 3.035 159 1HZ LYS 21 1HZ LYS 21 8.490 5.989 4.322 160 2HZ LYS 21 2HZ LYS 21 6.914 6.310 4.036 161 3HZ LYS 21 3HZ LYS 21 7.338 4.958 4.849 162 H ASP 22 H ASP 22 9.059 6.301 -3.214 163 HA ASP 22 HA ASP 22 10.857 8.218 -3.912 164 1HB ASP 22 1HB ASP 22 10.629 6.459 -5.450 165 2HB ASP 22 2HB ASP 22 8.878 6.507 -5.407 166 H GLY 23 H GLY 23 7.291 8.100 -4.703 167 1HA GLY 23 1HA GLY 23 5.817 9.888 -4.448 168 2HA GLY 23 2HA GLY 23 7.158 11.016 -4.434 169 H ASP 24 H ASP 24 6.344 8.332 -6.741 170 HA ASP 24 HA ASP 24 6.479 10.346 -8.837 171 1HB ASP 24 1HB ASP 24 6.885 8.393 -10.362 172 2HB ASP 24 2HB ASP 24 8.112 8.558 -9.122 173 H GLY 25 H GLY 25 4.377 8.398 -6.966 174 1HA GLY 25 1HA GLY 25 2.027 8.661 -7.246 175 2HA GLY 25 2HA GLY 25 2.240 8.651 -8.985 176 H THR 26 H THR 26 4.173 6.408 -7.060 177 HA THR 26 HA THR 26 2.265 4.260 -7.259 178 HB THR 26 HB THR 26 4.055 2.952 -8.689 179 HG1 THR 26 HG1 THR 26 5.504 4.933 -8.384 180 1HG2 THR 26 1HG2 THR 26 1.772 3.845 -9.549 181 2HG2 THR 26 2HG2 THR 26 2.674 5.267 -10.126 182 3HG2 THR 26 3HG2 THR 26 3.051 3.651 -10.772 183 H ILE 27 H ILE 27 2.600 2.737 -5.716 184 HA ILE 27 HA ILE 27 4.969 3.182 -4.063 185 HB ILE 27 HB ILE 27 2.201 2.185 -3.578 186 1HG1 ILE 27 1HG1 ILE 27 2.675 3.608 -1.460 187 2HG1 ILE 27 2HG1 ILE 27 4.075 4.194 -2.336 188 1HG2 ILE 27 1HG2 ILE 27 4.643 1.352 -2.005 189 2HG2 ILE 27 2HG2 ILE 27 3.003 1.368 -1.314 190 3HG2 ILE 27 3HG2 ILE 27 3.370 0.326 -2.709 191 1HD1 ILE 27 1HD1 ILE 27 2.266 5.728 -2.795 192 2HD1 ILE 27 2HD1 ILE 27 2.511 4.770 -4.276 193 3HD1 ILE 27 3HD1 ILE 27 1.155 4.394 -3.187 194 H THR 28 H THR 28 6.619 2.039 -5.049 195 HA THR 28 HA THR 28 6.288 -0.422 -6.329 196 HB THR 28 HB THR 28 8.584 1.177 -5.151 197 HG1 THR 28 HG1 THR 28 7.385 1.472 -7.294 198 1HG2 THR 28 1HG2 THR 28 9.491 -1.027 -4.836 199 2HG2 THR 28 2HG2 THR 28 8.650 -1.659 -6.272 200 3HG2 THR 28 3HG2 THR 28 10.033 -0.555 -6.464 201 H THR 29 H THR 29 7.049 -2.564 -5.694 202 HA THR 29 HA THR 29 5.829 -3.461 -3.388 203 HB THR 29 HB THR 29 7.212 -5.538 -3.875 204 HG1 THR 29 HG1 THR 29 8.547 -5.072 -5.946 205 1HG2 THR 29 1HG2 THR 29 6.072 -4.065 -6.308 206 2HG2 THR 29 2HG2 THR 29 6.545 -5.781 -6.307 207 3HG2 THR 29 3HG2 THR 29 5.203 -5.228 -5.277 208 H LYS 30 H LYS 30 9.339 -2.731 -3.911 209 HA LYS 30 HA LYS 30 10.044 -3.369 -1.268 210 1HB LYS 30 1HB LYS 30 12.172 -2.726 -1.868 211 2HB LYS 30 2HB LYS 30 11.482 -3.125 -3.428 212 1HG LYS 30 1HG LYS 30 10.764 -0.529 -3.382 213 2HG LYS 30 2HG LYS 30 12.110 -0.414 -2.266 214 1HD LYS 30 1HD LYS 30 13.116 -2.007 -4.361 215 2HD LYS 30 2HD LYS 30 12.136 -0.810 -5.184 216 1HE LYS 30 1HE LYS 30 13.523 0.940 -4.596 217 2HE LYS 30 2HE LYS 30 13.859 0.283 -3.007 218 1HZ LYS 30 1HZ LYS 30 15.630 0.260 -4.896 219 2HZ LYS 30 2HZ LYS 30 15.556 -0.951 -3.803 220 3HZ LYS 30 3HZ LYS 30 14.912 -1.153 -5.290 221 H GLU 31 H GLU 31 8.684 -0.486 -2.830 222 HA GLU 31 HA GLU 31 9.373 1.305 -0.809 223 1HB GLU 31 1HB GLU 31 7.463 1.248 -3.114 224 2HB GLU 31 2HB GLU 31 7.124 2.423 -1.859 225 1HG GLU 31 1HG GLU 31 9.515 3.241 -2.041 226 2HG GLU 31 2HG GLU 31 9.759 2.132 -3.376 227 H LEU 32 H LEU 32 6.861 -1.156 -1.123 228 HA LEU 32 HA LEU 32 5.084 -0.084 0.788 229 1HB LEU 32 1HB LEU 32 4.263 -1.633 -0.786 230 2HB LEU 32 2HB LEU 32 5.505 -2.811 -0.409 231 HG LEU 32 HG LEU 32 3.316 -1.977 1.513 232 1HD1 LEU 32 1HD1 LEU 32 2.686 -4.519 0.885 233 2HD1 LEU 32 2HD1 LEU 32 1.999 -3.098 0.060 234 3HD1 LEU 32 3HD1 LEU 32 3.360 -3.981 -0.672 235 1HD2 LEU 32 1HD2 LEU 32 4.803 -2.865 2.960 236 2HD2 LEU 32 2HD2 LEU 32 4.129 -4.401 2.365 237 3HD2 LEU 32 3HD2 LEU 32 5.658 -3.783 1.697 238 H GLY 33 H GLY 33 7.649 -2.648 0.973 239 1HA GLY 33 1HA GLY 33 7.433 -3.294 3.631 240 2HA GLY 33 2HA GLY 33 8.920 -3.317 2.705 241 H THR 34 H THR 34 8.846 -0.372 2.116 242 HA THR 34 HA THR 34 10.337 0.506 4.316 243 HB THR 34 HB THR 34 8.926 2.083 2.098 244 HG1 THR 34 HG1 THR 34 11.247 1.730 1.261 245 1HG2 THR 34 1HG2 THR 34 11.087 3.487 2.383 246 2HG2 THR 34 2HG2 THR 34 9.860 3.679 3.657 247 3HG2 THR 34 3HG2 THR 34 11.290 2.660 3.946 248 H VAL 35 H VAL 35 6.986 1.453 3.289 249 HA VAL 35 HA VAL 35 6.465 3.102 5.421 250 HB VAL 35 HB VAL 35 4.626 1.275 3.864 251 1HG1 VAL 35 1HG1 VAL 35 2.927 3.130 4.524 252 2HG1 VAL 35 2HG1 VAL 35 3.326 1.863 5.709 253 3HG1 VAL 35 3HG1 VAL 35 4.067 3.476 5.846 254 1HG2 VAL 35 1HG2 VAL 35 6.069 3.041 2.653 255 2HG2 VAL 35 2HG2 VAL 35 4.317 3.030 2.338 256 3HG2 VAL 35 3HG2 VAL 35 5.015 4.240 3.441 257 H MET 36 H MET 36 5.717 -0.443 5.113 258 HA MET 36 HA MET 36 4.554 -0.940 7.420 259 1HB MET 36 1HB MET 36 6.877 -2.479 6.137 260 2HB MET 36 2HB MET 36 5.859 -3.163 7.389 261 1HG MET 36 1HG MET 36 4.635 -2.003 4.857 262 2HG MET 36 2HG MET 36 5.248 -3.644 4.884 263 1HE MET 36 1HE MET 36 2.436 -1.449 7.328 264 2HE MET 36 2HE MET 36 2.885 -1.158 5.630 265 3HE MET 36 3HE MET 36 1.397 -2.055 6.016 266 H ARG 37 H ARG 37 8.099 -0.390 7.002 267 HA ARG 37 HA ARG 37 8.810 -1.023 9.581 268 1HB ARG 37 1HB ARG 37 10.044 0.973 7.618 269 2HB ARG 37 2HB ARG 37 10.834 0.459 9.095 270 1HG ARG 37 1HG ARG 37 10.421 -1.985 8.187 271 2HG ARG 37 2HG ARG 37 10.170 -1.199 6.641 272 1HD ARG 37 1HD ARG 37 12.575 -0.157 7.968 273 2HD ARG 37 2HD ARG 37 12.658 -1.899 7.799 274 HE ARG 37 HE ARG 37 11.804 -1.147 5.306 275 1HH1 ARG 37 2HH2 ARG 37 14.433 0.006 7.340 276 2HH1 ARG 37 1HH2 ARG 37 15.435 0.468 6.004 277 1HH2 ARG 37 2HH1 ARG 37 13.124 -0.539 3.543 278 2HH2 ARG 37 1HH1 ARG 37 14.685 0.156 3.830 279 H SER 38 H SER 38 7.992 2.176 8.062 280 HA SER 38 HA SER 38 8.465 3.863 10.044 281 1HB SER 38 1HB SER 38 7.080 4.000 7.698 282 2HB SER 38 2HB SER 38 5.747 4.159 8.825 283 HG SER 38 HG SER 38 6.647 6.028 9.695 284 H LEU 39 H LEU 39 5.997 1.322 9.988 285 HA LEU 39 HA LEU 39 4.560 2.387 12.232 286 1HB LEU 39 1HB LEU 39 4.423 -0.205 10.696 287 2HB LEU 39 2HB LEU 39 3.420 0.132 12.093 288 HG LEU 39 HG LEU 39 3.454 1.755 9.533 289 1HD1 LEU 39 1HD1 LEU 39 1.004 0.746 9.540 290 2HD1 LEU 39 2HD1 LEU 39 2.380 -0.130 8.827 291 3HD1 LEU 39 3HD1 LEU 39 1.803 -0.555 10.456 292 1HD2 LEU 39 1HD2 LEU 39 2.568 2.458 12.130 293 2HD2 LEU 39 2HD2 LEU 39 2.339 3.343 10.603 294 3HD2 LEU 39 3HD2 LEU 39 1.118 2.165 11.140 295 H GLY 40 H GLY 40 6.866 -0.333 11.602 296 1HA GLY 40 1HA GLY 40 8.552 -0.313 13.547 297 2HA GLY 40 2HA GLY 40 7.137 -0.682 14.513 298 H GLN 41 H GLN 41 7.997 -1.777 11.165 299 HA GLN 41 HA GLN 41 8.258 -4.460 12.249 300 1HB GLN 41 1HB GLN 41 6.343 -3.520 10.112 301 2HB GLN 41 2HB GLN 41 7.007 -5.138 9.998 302 1HG GLN 41 1HG GLN 41 6.289 -5.108 12.647 303 2HG GLN 41 2HG GLN 41 5.090 -4.007 11.998 304 1HE2 GLN 41 1HE2 GLN 41 3.266 -5.004 11.655 305 2HE2 GLN 41 2HE2 GLN 41 3.036 -6.571 10.953 306 H ASN 42 H ASN 42 9.011 -5.975 10.225 307 HA ASN 42 HA ASN 42 10.639 -4.523 8.387 308 1HB ASN 42 1HB ASN 42 11.764 -5.591 10.867 309 2HB ASN 42 2HB ASN 42 12.452 -6.446 9.501 310 1HD2 ASN 42 1HD2 ASN 42 11.448 -3.116 10.294 311 2HD2 ASN 42 2HD2 ASN 42 12.875 -2.316 9.726 312 HA PRO 43 HA PRO 43 9.051 -8.707 7.257 313 1HB PRO 43 1HB PRO 43 7.278 -7.980 5.308 314 2HB PRO 43 2HB PRO 43 6.808 -8.271 6.971 315 1HG PRO 43 1HG PRO 43 7.102 -5.695 5.553 316 2HG PRO 43 2HG PRO 43 6.245 -6.036 7.042 317 1HD PRO 43 1HD PRO 43 8.804 -4.766 6.788 318 2HD PRO 43 2HD PRO 43 7.999 -5.212 8.279 319 H THR 44 H THR 44 8.931 -9.799 4.975 320 HA THR 44 HA THR 44 11.310 -8.749 3.612 321 HB THR 44 HB THR 44 11.062 -11.224 2.622 322 HG1 THR 44 HG1 THR 44 9.373 -12.208 3.654 323 1HG2 THR 44 1HG2 THR 44 12.866 -10.465 4.266 324 2HG2 THR 44 2HG2 THR 44 11.736 -10.856 5.586 325 3HG2 THR 44 3HG2 THR 44 12.327 -12.144 4.509 326 H GLU 45 H GLU 45 11.338 -8.219 1.457 327 HA GLU 45 HA GLU 45 8.959 -7.312 0.399 328 1HB GLU 45 1HB GLU 45 10.259 -6.873 -1.641 329 2HB GLU 45 2HB GLU 45 11.195 -6.440 -0.224 330 1HG GLU 45 1HG GLU 45 12.193 -8.850 -0.374 331 2HG GLU 45 2HG GLU 45 11.502 -8.904 -1.984 332 H ALA 46 H ALA 46 10.332 -10.505 0.492 333 HA ALA 46 HA ALA 46 9.199 -11.507 -1.896 334 1HB ALA 46 1HB ALA 46 11.116 -12.495 -0.589 335 2HB ALA 46 2HB ALA 46 9.942 -12.998 0.650 336 3HB ALA 46 3HB ALA 46 9.836 -13.662 -0.998 337 H GLU 47 H GLU 47 8.240 -11.910 1.593 338 HA GLU 47 HA GLU 47 5.893 -13.193 1.102 339 1HB GLU 47 1HB GLU 47 6.875 -11.418 3.340 340 2HB GLU 47 2HB GLU 47 5.213 -11.972 3.367 341 1HG GLU 47 1HG GLU 47 7.424 -13.979 2.864 342 2HG GLU 47 2HG GLU 47 7.135 -13.423 4.501 343 H LEU 48 H LEU 48 6.597 -9.660 1.175 344 HA LEU 48 HA LEU 48 3.879 -8.906 0.874 345 1HB LEU 48 1HB LEU 48 6.536 -7.540 0.748 346 2HB LEU 48 2HB LEU 48 5.122 -6.713 0.124 347 HG LEU 48 HG LEU 48 5.596 -6.057 2.423 348 1HD1 LEU 48 1HD1 LEU 48 3.094 -7.714 2.598 349 2HD1 LEU 48 2HD1 LEU 48 3.413 -6.069 3.199 350 3HD1 LEU 48 3HD1 LEU 48 3.205 -6.354 1.454 351 1HD2 LEU 48 1HD2 LEU 48 5.646 -7.509 4.267 352 2HD2 LEU 48 2HD2 LEU 48 4.963 -8.863 3.335 353 3HD2 LEU 48 3HD2 LEU 48 6.627 -8.316 3.019 354 H GLN 49 H GLN 49 6.451 -9.977 -1.284 355 HA GLN 49 HA GLN 49 5.701 -8.805 -3.615 356 1HB GLN 49 1HB GLN 49 7.685 -10.367 -3.121 357 2HB GLN 49 2HB GLN 49 6.589 -11.708 -3.389 358 1HG GLN 49 1HG GLN 49 6.080 -10.833 -5.680 359 2HG GLN 49 2HG GLN 49 7.177 -9.493 -5.412 360 1HE2 GLN 49 1HE2 GLN 49 6.834 -12.612 -6.555 361 2HE2 GLN 49 2HE2 GLN 49 8.495 -13.077 -6.707 362 H ASP 50 H ASP 50 4.252 -11.609 -1.910 363 HA ASP 50 HA ASP 50 2.599 -12.345 -4.049 364 1HB ASP 50 1HB ASP 50 3.302 -13.616 -1.834 365 2HB ASP 50 2HB ASP 50 1.914 -12.811 -1.129 366 H MET 51 H MET 51 2.427 -10.048 -1.318 367 HA MET 51 HA MET 51 -0.352 -9.663 -1.430 368 1HB MET 51 1HB MET 51 2.025 -8.135 -0.276 369 2HB MET 51 2HB MET 51 0.417 -7.445 -0.187 370 1HG MET 51 1HG MET 51 0.279 -10.220 0.655 371 2HG MET 51 2HG MET 51 1.577 -9.433 1.531 372 1HE MET 51 1HE MET 51 1.216 -7.767 3.479 373 2HE MET 51 2HE MET 51 1.075 -6.680 2.077 374 3HE MET 51 3HE MET 51 -0.091 -6.562 3.417 375 H ILE 52 H ILE 52 2.421 -7.555 -2.499 376 HA ILE 52 HA ILE 52 0.988 -5.573 -3.680 377 HB ILE 52 HB ILE 52 2.992 -5.326 -5.181 378 1HG1 ILE 52 1HG1 ILE 52 4.928 -6.879 -4.124 379 2HG1 ILE 52 2HG1 ILE 52 3.581 -7.994 -4.002 380 1HG2 ILE 52 1HG2 ILE 52 4.531 -5.238 -2.940 381 2HG2 ILE 52 2HG2 ILE 52 3.341 -3.999 -3.403 382 3HG2 ILE 52 3HG2 ILE 52 2.897 -5.265 -2.233 383 1HD1 ILE 52 1HD1 ILE 52 4.861 -6.816 -6.455 384 2HD1 ILE 52 2HD1 ILE 52 4.276 -8.472 -6.165 385 3HD1 ILE 52 3HD1 ILE 52 3.117 -7.168 -6.517 386 H ASN 53 H ASN 53 1.986 -8.735 -5.134 387 HA ASN 53 HA ASN 53 0.966 -8.228 -7.633 388 1HB ASN 53 1HB ASN 53 2.440 -10.176 -7.014 389 2HB ASN 53 2HB ASN 53 1.107 -10.898 -6.134 390 1HD2 ASN 53 1HD2 ASN 53 2.780 -11.255 -8.794 391 2HD2 ASN 53 2HD2 ASN 53 1.597 -11.801 -9.936 392 H GLU 54 H GLU 54 -0.516 -9.388 -4.577 393 HA GLU 54 HA GLU 54 -2.927 -10.221 -5.749 394 1HB GLU 54 1HB GLU 54 -2.241 -11.101 -3.587 395 2HB GLU 54 2HB GLU 54 -2.169 -9.495 -2.889 396 1HG GLU 54 1HG GLU 54 -4.268 -10.164 -2.133 397 2HG GLU 54 2HG GLU 54 -4.726 -9.373 -3.628 398 H VAL 55 H VAL 55 -2.071 -7.302 -3.745 399 HA VAL 55 HA VAL 55 -4.527 -6.035 -4.085 400 HB VAL 55 HB VAL 55 -3.482 -4.150 -3.144 401 1HG1 VAL 55 1HG1 VAL 55 -3.257 -5.258 -1.223 402 2HG1 VAL 55 2HG1 VAL 55 -2.969 -6.776 -2.107 403 3HG1 VAL 55 3HG1 VAL 55 -1.602 -5.715 -1.693 404 1HG2 VAL 55 1HG2 VAL 55 -1.568 -3.390 -4.004 405 2HG2 VAL 55 2HG2 VAL 55 -0.712 -4.643 -3.074 406 3HG2 VAL 55 3HG2 VAL 55 -1.214 -4.966 -4.750 407 H ASP 56 H ASP 56 -1.743 -6.425 -6.213 408 HA ASP 56 HA ASP 56 -2.409 -4.215 -7.846 409 1HB ASP 56 1HB ASP 56 -0.109 -5.112 -7.735 410 2HB ASP 56 2HB ASP 56 -0.657 -6.672 -8.315 411 H ALA 57 H ALA 57 -4.320 -4.272 -9.050 412 HA ALA 57 HA ALA 57 -5.327 -6.851 -9.931 413 1HB ALA 57 1HB ALA 57 -6.899 -4.556 -10.745 414 2HB ALA 57 2HB ALA 57 -7.319 -5.862 -9.612 415 3HB ALA 57 3HB ALA 57 -6.461 -4.418 -9.025 416 H ASP 58 H ASP 58 -4.562 -3.584 -11.336 417 HA ASP 58 HA ASP 58 -4.986 -3.926 -13.879 418 1HB ASP 58 1HB ASP 58 -2.262 -2.998 -13.775 419 2HB ASP 58 2HB ASP 58 -3.721 -2.050 -13.982 420 H GLY 59 H GLY 59 -2.403 -5.519 -11.965 421 1HA GLY 59 1HA GLY 59 -1.442 -7.558 -12.442 422 2HA GLY 59 2HA GLY 59 -2.005 -7.461 -14.099 423 H ASP 60 H ASP 60 0.468 -6.313 -11.775 424 HA ASP 60 HA ASP 60 2.305 -6.123 -13.956 425 1HB ASP 60 1HB ASP 60 2.659 -3.746 -12.308 426 2HB ASP 60 2HB ASP 60 2.516 -3.863 -14.051 427 H GLY 61 H GLY 61 1.696 -5.191 -10.481 428 1HA GLY 61 1HA GLY 61 2.745 -6.683 -8.821 429 2HA GLY 61 2HA GLY 61 4.220 -6.559 -9.759 430 H THR 62 H THR 62 1.830 -3.946 -9.026 431 HA THR 62 HA THR 62 3.705 -2.747 -7.150 432 HB THR 62 HB THR 62 2.707 -1.248 -9.624 433 HG1 THR 62 HG1 THR 62 4.233 -2.776 -10.354 434 1HG2 THR 62 1HG2 THR 62 3.456 0.473 -8.249 435 2HG2 THR 62 2HG2 THR 62 4.436 -0.625 -7.248 436 3HG2 THR 62 3HG2 THR 62 5.047 -0.078 -8.828 437 H ILE 63 H ILE 63 2.734 -0.838 -6.026 438 HA ILE 63 HA ILE 63 -0.118 -1.383 -5.679 439 HB ILE 63 HB ILE 63 1.764 0.123 -3.864 440 1HG1 ILE 63 1HG1 ILE 63 1.021 -2.812 -3.897 441 2HG1 ILE 63 2HG1 ILE 63 2.620 -2.115 -4.065 442 1HG2 ILE 63 1HG2 ILE 63 -1.097 -0.747 -3.694 443 2HG2 ILE 63 2HG2 ILE 63 -0.111 -0.685 -2.213 444 3HG2 ILE 63 3HG2 ILE 63 -0.332 0.782 -3.197 445 1HD1 ILE 63 1HD1 ILE 63 1.789 -0.988 -1.676 446 2HD1 ILE 63 2HD1 ILE 63 1.019 -2.592 -1.617 447 3HD1 ILE 63 3HD1 ILE 63 2.783 -2.458 -1.814 448 H ASP 64 H ASP 64 -1.372 0.722 -4.936 449 HA ASP 64 HA ASP 64 -0.447 3.128 -6.054 450 1HB ASP 64 1HB ASP 64 -1.219 1.721 -8.091 451 2HB ASP 64 2HB ASP 64 -2.845 1.872 -7.455 452 H PHE 65 H PHE 65 -2.638 4.682 -6.202 453 HA PHE 65 HA PHE 65 -3.646 4.798 -3.633 454 1HB PHE 65 1HB PHE 65 -3.669 6.262 -6.047 455 2HB PHE 65 2HB PHE 65 -5.360 5.850 -5.847 456 HD1 PHE 65 HD1 PHE 65 -2.947 6.549 -3.120 457 HD2 PHE 65 HD2 PHE 65 -6.262 7.967 -5.359 458 HE1 PHE 65 HE1 PHE 65 -3.220 8.454 -1.510 459 HE2 PHE 65 HE2 PHE 65 -6.535 9.872 -3.748 460 HZ PHE 65 HZ PHE 65 -5.011 10.093 -1.842 461 HA PRO 66 HA PRO 66 -7.530 2.705 -5.359 462 1HB PRO 66 1HB PRO 66 -7.487 1.562 -7.841 463 2HB PRO 66 2HB PRO 66 -8.094 3.179 -7.540 464 1HG PRO 66 1HG PRO 66 -5.537 2.358 -8.777 465 2HG PRO 66 2HG PRO 66 -6.343 3.913 -8.850 466 1HD PRO 66 1HD PRO 66 -4.068 3.234 -7.242 467 2HD PRO 66 2HD PRO 66 -4.944 4.751 -7.230 468 H GLU 67 H GLU 67 -4.493 1.265 -6.221 469 HA GLU 67 HA GLU 67 -5.420 -1.363 -5.872 470 1HB GLU 67 1HB GLU 67 -2.703 -0.051 -6.079 471 2HB GLU 67 2HB GLU 67 -2.808 -1.736 -5.609 472 1HG GLU 67 1HG GLU 67 -4.073 -2.271 -7.668 473 2HG GLU 67 2HG GLU 67 -4.103 -0.579 -8.123 474 H PHE 68 H PHE 68 -3.245 0.730 -3.831 475 HA PHE 68 HA PHE 68 -3.131 -0.978 -1.670 476 1HB PHE 68 1HB PHE 68 -2.009 1.377 -2.387 477 2HB PHE 68 2HB PHE 68 -3.299 2.057 -1.415 478 HD1 PHE 68 HD1 PHE 68 -2.103 2.953 0.391 479 HD2 PHE 68 HD2 PHE 68 -1.431 -1.080 -0.746 480 HE1 PHE 68 HE1 PHE 68 -0.730 2.598 2.462 481 HE2 PHE 68 HE2 PHE 68 -0.058 -1.435 1.325 482 HZ PHE 68 HZ PHE 68 0.277 0.408 2.904 483 H LEU 69 H LEU 69 -5.522 1.599 -2.485 484 HA LEU 69 HA LEU 69 -6.880 1.899 -0.206 485 1HB LEU 69 1HB LEU 69 -7.429 2.117 -3.020 486 2HB LEU 69 2HB LEU 69 -8.855 1.530 -2.188 487 HG LEU 69 HG LEU 69 -7.349 4.100 -1.662 488 1HD1 LEU 69 1HD1 LEU 69 -10.175 4.400 -2.044 489 2HD1 LEU 69 2HD1 LEU 69 -8.829 5.049 -3.011 490 3HD1 LEU 69 3HD1 LEU 69 -9.498 3.441 -3.382 491 1HD2 LEU 69 1HD2 LEU 69 -9.318 2.631 0.042 492 2HD2 LEU 69 2HD2 LEU 69 -7.903 3.608 0.502 493 3HD2 LEU 69 3HD2 LEU 69 -9.401 4.408 -0.030 494 H THR 70 H THR 70 -7.332 -0.865 -2.512 495 HA THR 70 HA THR 70 -9.209 -2.175 -0.845 496 HB THR 70 HB THR 70 -7.481 -2.945 -3.240 497 HG1 THR 70 HG1 THR 70 -10.341 -2.643 -2.646 498 1HG2 THR 70 1HG2 THR 70 -8.145 -5.133 -3.110 499 2HG2 THR 70 2HG2 THR 70 -8.567 -4.809 -1.412 500 3HG2 THR 70 3HG2 THR 70 -9.806 -4.660 -2.681 501 H MET 71 H MET 71 -5.640 -2.343 -1.188 502 HA MET 71 HA MET 71 -5.239 -4.614 0.275 503 1HB MET 71 1HB MET 71 -3.502 -3.294 -1.002 504 2HB MET 71 2HB MET 71 -3.568 -2.038 0.217 505 1HG MET 71 1HG MET 71 -2.681 -3.528 1.928 506 2HG MET 71 2HG MET 71 -2.869 -4.930 0.894 507 1HE MET 71 1HE MET 71 -0.731 -5.948 0.448 508 2HE MET 71 2HE MET 71 0.831 -5.095 0.415 509 3HE MET 71 3HE MET 71 -0.165 -5.073 1.890 510 H MET 72 H MET 72 -5.127 -1.180 1.489 511 HA MET 72 HA MET 72 -4.830 -1.890 4.139 512 1HB MET 72 1HB MET 72 -5.873 0.552 2.648 513 2HB MET 72 2HB MET 72 -5.955 0.527 4.399 514 1HG MET 72 1HG MET 72 -3.371 -0.269 4.105 515 2HG MET 72 2HG MET 72 -3.538 0.631 2.610 516 1HE MET 72 1HE MET 72 -3.678 1.728 6.875 517 2HE MET 72 2HE MET 72 -5.322 2.129 6.323 518 3HE MET 72 3HE MET 72 -4.675 0.489 6.075 519 H ALA 73 H ALA 73 -7.833 -0.758 2.413 520 HA ALA 73 HA ALA 73 -9.616 -1.004 4.437 521 1HB ALA 73 1HB ALA 73 -9.789 -0.345 1.862 522 2HB ALA 73 2HB ALA 73 -10.384 -2.016 1.714 523 3HB ALA 73 3HB ALA 73 -11.224 -0.863 2.779 524 H ARG 74 H ARG 74 -8.761 -3.625 2.061 525 HA ARG 74 HA ARG 74 -10.262 -5.551 3.318 526 1HB ARG 74 1HB ARG 74 -7.781 -5.702 1.551 527 2HB ARG 74 2HB ARG 74 -8.584 -7.153 2.116 528 1HG ARG 74 1HG ARG 74 -10.110 -4.940 0.685 529 2HG ARG 74 2HG ARG 74 -9.297 -6.215 -0.201 530 1HD ARG 74 1HD ARG 74 -10.612 -7.886 1.289 531 2HD ARG 74 2HD ARG 74 -11.572 -6.515 1.807 532 HE ARG 74 HE ARG 74 -12.632 -6.491 -0.283 533 1HH1 ARG 74 2HH2 ARG 74 -9.692 -8.413 -0.497 534 2HH1 ARG 74 1HH2 ARG 74 -10.033 -8.989 -2.095 535 1HH2 ARG 74 2HH1 ARG 74 -13.081 -7.249 -2.391 536 2HH2 ARG 74 1HH1 ARG 74 -11.973 -8.322 -3.180 537 H LYS 75 H LYS 75 -7.164 -4.114 4.137 538 HA LYS 75 HA LYS 75 -5.977 -6.199 5.530 539 1HB LYS 75 1HB LYS 75 -5.165 -3.781 4.832 540 2HB LYS 75 2HB LYS 75 -5.701 -3.356 6.445 541 1HG LYS 75 1HG LYS 75 -3.819 -5.691 5.873 542 2HG LYS 75 2HG LYS 75 -3.253 -4.078 6.258 543 1HD LYS 75 1HD LYS 75 -3.450 -4.574 8.460 544 2HD LYS 75 2HD LYS 75 -5.187 -4.675 8.253 545 1HE LYS 75 1HE LYS 75 -5.094 -6.902 8.667 546 2HE LYS 75 2HE LYS 75 -4.132 -7.122 7.218 547 1HZ LYS 75 1HZ LYS 75 -3.292 -7.035 9.947 548 2HZ LYS 75 2HZ LYS 75 -2.594 -7.767 8.665 549 3HZ LYS 75 3HZ LYS 75 -2.334 -6.178 8.939 550 H MET 76 H MET 76 -8.057 -3.498 6.796 551 HA MET 76 HA MET 76 -8.161 -4.511 9.364 552 1HB MET 76 1HB MET 76 -9.882 -2.839 9.695 553 2HB MET 76 2HB MET 76 -8.832 -2.176 8.459 554 1HG MET 76 1HG MET 76 -10.658 -1.959 7.124 555 2HG MET 76 2HG MET 76 -10.716 -3.707 7.009 556 1HE MET 76 1HE MET 76 -12.940 -0.638 8.231 557 2HE MET 76 2HE MET 76 -12.933 -1.030 9.968 558 3HE MET 76 3HE MET 76 -11.400 -0.717 9.120 559 H LYS 77 H LYS 77 -9.769 -5.519 6.425 560 HA LYS 77 HA LYS 77 -12.102 -6.597 7.511 561 1HB LYS 77 1HB LYS 77 -11.505 -6.154 5.069 562 2HB LYS 77 2HB LYS 77 -10.607 -7.657 5.105 563 1HG LYS 77 1HG LYS 77 -12.520 -8.971 5.290 564 2HG LYS 77 2HG LYS 77 -13.407 -7.753 6.184 565 1HD LYS 77 1HD LYS 77 -12.821 -6.707 3.546 566 2HD LYS 77 2HD LYS 77 -13.512 -8.307 3.366 567 1HE LYS 77 1HE LYS 77 -14.908 -6.656 5.398 568 2HE LYS 77 2HE LYS 77 -14.958 -5.959 3.791 569 1HZ LYS 77 1HZ LYS 77 -15.856 -8.635 4.583 570 2HZ LYS 77 2HZ LYS 77 -16.761 -7.417 3.981 571 3HZ LYS 77 3HZ LYS 77 -15.690 -8.190 3.021 572 H ASP 78 H ASP 78 -8.988 -8.262 6.632 573 HA ASP 78 HA ASP 78 -9.642 -10.688 7.640 574 1HB ASP 78 1HB ASP 78 -6.986 -9.206 7.515 575 2HB ASP 78 2HB ASP 78 -7.074 -10.863 8.076 576 H THR 79 H THR 79 -7.661 -8.087 9.273 577 HA THR 79 HA THR 79 -7.608 -9.329 11.782 578 HB THR 79 HB THR 79 -6.139 -7.433 10.783 579 HG1 THR 79 HG1 THR 79 -6.371 -8.230 13.106 580 1HG2 THR 79 1HG2 THR 79 -6.914 -5.258 10.743 581 2HG2 THR 79 2HG2 THR 79 -8.518 -6.019 10.622 582 3HG2 THR 79 3HG2 THR 79 -7.901 -5.492 12.206 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -18.443 6.881 -0.546 2 HA ALA 1 HA ALA 1 -20.569 5.016 -1.342 3 1HB ALA 1 1HB ALA 1 -17.788 4.568 -0.190 4 2HB ALA 1 2HB ALA 1 -18.997 3.281 -0.415 5 3HB ALA 1 3HB ALA 1 -18.355 4.157 -1.826 6 H ASP 2 H ASP 2 -19.557 7.227 1.045 7 HA ASP 2 HA ASP 2 -19.988 7.509 3.167 8 1HB ASP 2 1HB ASP 2 -22.600 6.116 2.407 9 2HB ASP 2 2HB ASP 2 -22.377 7.116 3.829 10 H GLN 3 H GLN 3 -18.438 5.182 2.829 11 HA GLN 3 HA GLN 3 -19.649 3.391 4.788 12 1HB GLN 3 1HB GLN 3 -18.627 2.809 2.136 13 2HB GLN 3 2HB GLN 3 -17.649 1.969 3.323 14 1HG GLN 3 1HG GLN 3 -20.589 1.855 3.821 15 2HG GLN 3 2HG GLN 3 -20.062 1.045 2.360 16 1HE2 GLN 3 1HE2 GLN 3 -21.168 -0.216 4.611 17 2HE2 GLN 3 2HE2 GLN 3 -19.996 -1.282 5.310 18 H LEU 4 H LEU 4 -16.520 4.533 3.335 19 HA LEU 4 HA LEU 4 -15.439 5.257 5.798 20 1HB LEU 4 1HB LEU 4 -14.133 3.539 6.496 21 2HB LEU 4 2HB LEU 4 -15.533 2.662 5.913 22 HG LEU 4 HG LEU 4 -13.201 3.109 4.072 23 1HD1 LEU 4 1HD1 LEU 4 -13.300 1.230 6.415 24 2HD1 LEU 4 2HD1 LEU 4 -12.426 0.781 4.930 25 3HD1 LEU 4 3HD1 LEU 4 -11.963 2.247 5.827 26 1HD2 LEU 4 1HD2 LEU 4 -14.063 0.642 3.534 27 2HD2 LEU 4 2HD2 LEU 4 -15.560 1.300 4.238 28 3HD2 LEU 4 3HD2 LEU 4 -14.812 2.096 2.832 29 H THR 5 H THR 5 -14.924 4.029 2.464 30 HA THR 5 HA THR 5 -12.466 4.870 1.835 31 HB THR 5 HB THR 5 -15.122 5.072 0.348 32 HG1 THR 5 HG1 THR 5 -13.804 3.264 -0.740 33 1HG2 THR 5 1HG2 THR 5 -12.505 5.055 -1.134 34 2HG2 THR 5 2HG2 THR 5 -14.072 5.748 -1.618 35 3HG2 THR 5 3HG2 THR 5 -13.029 6.620 -0.469 36 H GLU 6 H GLU 6 -15.241 6.991 2.567 37 HA GLU 6 HA GLU 6 -14.090 9.320 1.608 38 1HB GLU 6 1HB GLU 6 -15.753 10.473 3.041 39 2HB GLU 6 2HB GLU 6 -16.477 9.139 2.165 40 1HG GLU 6 1HG GLU 6 -15.981 7.704 4.286 41 2HG GLU 6 2HG GLU 6 -15.684 9.226 5.102 42 H GLU 7 H GLU 7 -14.205 7.971 4.985 43 HA GLU 7 HA GLU 7 -12.497 9.980 5.961 44 1HB GLU 7 1HB GLU 7 -12.391 8.435 7.997 45 2HB GLU 7 2HB GLU 7 -13.993 8.961 7.522 46 1HG GLU 7 1HG GLU 7 -14.531 6.848 6.536 47 2HG GLU 7 2HG GLU 7 -12.851 6.356 6.455 48 H GLN 8 H GLN 8 -12.061 6.653 4.703 49 HA GLN 8 HA GLN 8 -9.440 6.345 5.569 50 1HB GLN 8 1HB GLN 8 -10.790 4.443 4.843 51 2HB GLN 8 2HB GLN 8 -10.953 5.109 3.230 52 1HG GLN 8 1HG GLN 8 -9.127 3.856 2.695 53 2HG GLN 8 2HG GLN 8 -8.192 5.072 3.543 54 1HE2 GLN 8 1HE2 GLN 8 -8.023 4.800 5.933 55 2HE2 GLN 8 2HE2 GLN 8 -7.784 3.205 6.564 56 H ILE 9 H ILE 9 -10.792 7.374 2.355 57 HA ILE 9 HA ILE 9 -8.370 7.809 1.104 58 HB ILE 9 HB ILE 9 -11.106 9.012 0.758 59 1HG1 ILE 9 1HG1 ILE 9 -10.693 6.568 0.289 60 2HG1 ILE 9 2HG1 ILE 9 -11.345 7.502 -1.043 61 1HG2 ILE 9 1HG2 ILE 9 -9.476 10.669 -0.006 62 2HG2 ILE 9 2HG2 ILE 9 -8.692 9.438 -1.025 63 3HG2 ILE 9 3HG2 ILE 9 -10.362 9.948 -1.371 64 1HD1 ILE 9 1HD1 ILE 9 -8.388 6.835 -0.663 65 2HD1 ILE 9 2HD1 ILE 9 -9.496 6.007 -1.784 66 3HD1 ILE 9 3HD1 ILE 9 -9.089 7.721 -2.039 67 H ALA 10 H ALA 10 -10.209 9.818 3.418 68 HA ALA 10 HA ALA 10 -8.934 12.228 3.036 69 1HB ALA 10 1HB ALA 10 -10.555 10.892 5.072 70 2HB ALA 10 2HB ALA 10 -9.368 12.007 5.792 71 3HB ALA 10 3HB ALA 10 -10.530 12.603 4.582 72 H GLU 11 H GLU 11 -8.048 9.551 5.333 73 HA GLU 11 HA GLU 11 -5.655 10.838 6.052 74 1HB GLU 11 1HB GLU 11 -7.028 8.268 6.645 75 2HB GLU 11 2HB GLU 11 -5.281 8.197 6.760 76 1HG GLU 11 1HG GLU 11 -5.187 9.707 8.535 77 2HG GLU 11 2HG GLU 11 -6.624 10.570 8.026 78 H PHE 12 H PHE 12 -6.500 8.109 3.832 79 HA PHE 12 HA PHE 12 -3.994 7.300 3.133 80 1HB PHE 12 1HB PHE 12 -6.757 7.284 2.120 81 2HB PHE 12 2HB PHE 12 -5.648 7.436 0.771 82 HD1 PHE 12 HD1 PHE 12 -5.936 5.419 3.909 83 HD2 PHE 12 HD2 PHE 12 -4.976 5.477 -0.224 84 HE1 PHE 12 HE1 PHE 12 -5.520 2.945 3.971 85 HE2 PHE 12 HE2 PHE 12 -4.560 3.003 -0.162 86 HZ PHE 12 HZ PHE 12 -4.836 1.766 1.934 87 H LYS 13 H LYS 13 -5.834 10.166 1.982 88 HA LYS 13 HA LYS 13 -4.334 10.850 -0.197 89 1HB LYS 13 1HB LYS 13 -6.455 11.916 1.010 90 2HB LYS 13 2HB LYS 13 -5.250 13.004 1.668 91 1HG LYS 13 1HG LYS 13 -4.453 13.552 -0.620 92 2HG LYS 13 2HG LYS 13 -5.588 12.408 -1.310 93 1HD LYS 13 1HD LYS 13 -6.797 14.436 0.520 94 2HD LYS 13 2HD LYS 13 -6.115 15.086 -0.958 95 1HE LYS 13 1HE LYS 13 -7.575 13.826 -2.347 96 2HE LYS 13 2HE LYS 13 -7.916 12.650 -1.093 97 1HZ LYS 13 1HZ LYS 13 -8.814 15.447 -1.126 98 2HZ LYS 13 2HZ LYS 13 -9.747 14.123 -1.336 99 3HZ LYS 13 3HZ LYS 13 -9.063 14.417 0.117 100 H GLU 14 H GLU 14 -3.805 12.033 3.204 101 HA GLU 14 HA GLU 14 -1.313 13.127 2.503 102 1HB GLU 14 1HB GLU 14 -2.899 12.740 5.018 103 2HB GLU 14 2HB GLU 14 -1.177 13.004 5.209 104 1HG GLU 14 1HG GLU 14 -1.389 15.214 4.733 105 2HG GLU 14 2HG GLU 14 -2.226 14.868 3.232 106 H ALA 15 H ALA 15 -2.431 10.017 3.873 107 HA ALA 15 HA ALA 15 -0.038 9.054 4.847 108 1HB ALA 15 1HB ALA 15 -2.513 8.133 4.842 109 2HB ALA 15 2HB ALA 15 -1.975 7.270 3.381 110 3HB ALA 15 3HB ALA 15 -1.140 7.004 4.931 111 H PHE 16 H PHE 16 -1.437 8.804 1.507 112 HA PHE 16 HA PHE 16 0.311 7.268 0.246 113 1HB PHE 16 1HB PHE 16 -1.453 8.403 -0.968 114 2HB PHE 16 2HB PHE 16 -0.934 9.980 -0.408 115 HD1 PHE 16 HD1 PHE 16 -0.026 7.198 -2.679 116 HD2 PHE 16 HD2 PHE 16 0.576 11.276 -1.671 117 HE1 PHE 16 HE1 PHE 16 1.254 7.536 -4.811 118 HE2 PHE 16 HE2 PHE 16 1.856 11.614 -3.804 119 HZ PHE 16 HZ PHE 16 2.180 9.740 -5.348 120 H SER 17 H SER 17 0.889 10.804 0.873 121 HA SER 17 HA SER 17 3.213 11.176 -0.309 122 1HB SER 17 1HB SER 17 2.109 12.907 1.020 123 2HB SER 17 2HB SER 17 2.438 12.044 2.509 124 HG SER 17 HG SER 17 4.010 13.659 2.320 125 H LEU 18 H LEU 18 2.783 9.593 2.928 126 HA LEU 18 HA LEU 18 5.556 9.104 3.253 127 1HB LEU 18 1HB LEU 18 3.043 8.208 4.628 128 2HB LEU 18 2HB LEU 18 4.583 7.470 5.022 129 HG LEU 18 HG LEU 18 3.948 10.426 5.242 130 1HD1 LEU 18 1HD1 LEU 18 2.716 9.112 6.887 131 2HD1 LEU 18 2HD1 LEU 18 4.223 8.318 7.402 132 3HD1 LEU 18 3HD1 LEU 18 4.003 10.064 7.666 133 1HD2 LEU 18 1HD2 LEU 18 6.464 8.935 5.309 134 2HD2 LEU 18 2HD2 LEU 18 6.162 10.682 5.150 135 3HD2 LEU 18 3HD2 LEU 18 6.195 9.927 6.762 136 H PHE 19 H PHE 19 2.757 6.883 2.565 137 HA PHE 19 HA PHE 19 4.091 4.593 2.150 138 1HB PHE 19 1HB PHE 19 1.839 5.908 0.516 139 2HB PHE 19 2HB PHE 19 2.220 4.201 0.401 140 HD1 PHE 19 HD1 PHE 19 -0.368 5.744 1.345 141 HD2 PHE 19 HD2 PHE 19 2.782 3.741 3.364 142 HE1 PHE 19 HE1 PHE 19 -1.904 5.270 3.272 143 HE2 PHE 19 HE2 PHE 19 1.245 3.267 5.291 144 HZ PHE 19 HZ PHE 19 -1.079 4.037 5.222 145 H ASP 20 H ASP 20 3.435 7.071 -0.435 146 HA ASP 20 HA ASP 20 4.996 5.687 -2.305 147 1HB ASP 20 1HB ASP 20 3.121 7.506 -2.618 148 2HB ASP 20 2HB ASP 20 4.412 8.669 -2.392 149 H LYS 21 H LYS 21 7.184 5.401 -1.664 150 HA LYS 21 HA LYS 21 8.606 7.509 -0.362 151 1HB LYS 21 1HB LYS 21 9.743 4.967 -1.546 152 2HB LYS 21 2HB LYS 21 10.426 5.962 -0.275 153 1HG LYS 21 1HG LYS 21 7.765 4.473 -0.063 154 2HG LYS 21 2HG LYS 21 9.283 3.889 0.590 155 1HD LYS 21 1HD LYS 21 9.437 5.744 2.147 156 2HD LYS 21 2HD LYS 21 8.136 6.609 1.352 157 1HE LYS 21 1HE LYS 21 6.511 4.867 2.035 158 2HE LYS 21 2HE LYS 21 7.796 3.909 2.743 159 1HZ LYS 21 1HZ LYS 21 8.241 5.823 4.208 160 2HZ LYS 21 2HZ LYS 21 6.910 6.566 3.621 161 3HZ LYS 21 3HZ LYS 21 6.767 5.159 4.438 162 H ASP 22 H ASP 22 8.801 5.893 -3.609 163 HA ASP 22 HA ASP 22 10.792 7.438 -4.619 164 1HB ASP 22 1HB ASP 22 10.092 5.590 -5.927 165 2HB ASP 22 2HB ASP 22 8.401 6.037 -5.832 166 H GLY 23 H GLY 23 7.188 7.857 -5.044 167 1HA GLY 23 1HA GLY 23 6.079 9.905 -4.785 168 2HA GLY 23 2HA GLY 23 7.571 10.769 -5.100 169 H ASP 24 H ASP 24 6.336 7.973 -7.003 170 HA ASP 24 HA ASP 24 6.249 9.775 -9.279 171 1HB ASP 24 1HB ASP 24 6.345 7.670 -10.636 172 2HB ASP 24 2HB ASP 24 7.725 7.852 -9.571 173 H GLY 25 H GLY 25 4.314 8.086 -6.987 174 1HA GLY 25 1HA GLY 25 1.959 8.521 -6.997 175 2HA GLY 25 2HA GLY 25 1.946 8.315 -8.737 176 H THR 26 H THR 26 4.113 6.078 -7.298 177 HA THR 26 HA THR 26 2.018 4.058 -6.956 178 HB THR 26 HB THR 26 3.735 2.557 -8.314 179 HG1 THR 26 HG1 THR 26 5.223 3.821 -9.405 180 1HG2 THR 26 1HG2 THR 26 2.071 4.737 -9.682 181 2HG2 THR 26 2HG2 THR 26 2.752 3.315 -10.508 182 3HG2 THR 26 3HG2 THR 26 1.504 3.105 -9.256 183 H ILE 27 H ILE 27 2.525 2.362 -5.531 184 HA ILE 27 HA ILE 27 4.866 2.982 -3.876 185 HB ILE 27 HB ILE 27 2.178 1.783 -3.268 186 1HG1 ILE 27 1HG1 ILE 27 2.256 3.558 -1.475 187 2HG1 ILE 27 2HG1 ILE 27 3.725 4.164 -2.213 188 1HG2 ILE 27 1HG2 ILE 27 4.169 1.933 -1.080 189 2HG2 ILE 27 2HG2 ILE 27 2.863 0.761 -1.377 190 3HG2 ILE 27 3HG2 ILE 27 4.398 0.627 -2.268 191 1HD1 ILE 27 1HD1 ILE 27 2.619 4.818 -4.206 192 2HD1 ILE 27 2HD1 ILE 27 1.231 3.748 -3.892 193 3HD1 ILE 27 3HD1 ILE 27 1.449 5.229 -2.929 194 H THR 28 H THR 28 6.417 1.859 -5.141 195 HA THR 28 HA THR 28 6.098 -0.678 -6.192 196 HB THR 28 HB THR 28 8.539 0.819 -5.106 197 HG1 THR 28 HG1 THR 28 8.249 1.786 -7.078 198 1HG2 THR 28 1HG2 THR 28 8.306 -1.645 -6.910 199 2HG2 THR 28 2HG2 THR 28 9.767 -0.632 -6.810 200 3HG2 THR 28 3HG2 THR 28 9.204 -1.526 -5.377 201 H THR 29 H THR 29 6.725 -2.785 -5.519 202 HA THR 29 HA THR 29 5.741 -3.646 -3.166 203 HB THR 29 HB THR 29 7.108 -5.667 -3.583 204 HG1 THR 29 HG1 THR 29 8.791 -5.253 -5.364 205 1HG2 THR 29 1HG2 THR 29 6.406 -6.152 -5.772 206 2HG2 THR 29 2HG2 THR 29 5.354 -4.761 -5.414 207 3HG2 THR 29 3HG2 THR 29 6.836 -4.533 -6.373 208 H LYS 30 H LYS 30 9.124 -2.505 -3.707 209 HA LYS 30 HA LYS 30 9.917 -3.032 -1.056 210 1HB LYS 30 1HB LYS 30 11.907 -1.788 -1.625 211 2HB LYS 30 2HB LYS 30 11.471 -2.838 -2.959 212 1HG LYS 30 1HG LYS 30 10.114 -0.659 -3.772 213 2HG LYS 30 2HG LYS 30 11.288 0.167 -2.768 214 1HD LYS 30 1HD LYS 30 12.772 -1.748 -4.276 215 2HD LYS 30 2HD LYS 30 11.649 -1.020 -5.407 216 1HE LYS 30 1HE LYS 30 12.461 1.210 -4.939 217 2HE LYS 30 2HE LYS 30 13.334 0.674 -3.517 218 1HZ LYS 30 1HZ LYS 30 14.067 -0.677 -5.931 219 2HZ LYS 30 2HZ LYS 30 14.410 0.920 -5.929 220 3HZ LYS 30 3HZ LYS 30 15.015 -0.047 -4.760 221 H GLU 31 H GLU 31 8.543 -0.162 -2.741 222 HA GLU 31 HA GLU 31 8.909 1.645 -0.720 223 1HB GLU 31 1HB GLU 31 6.766 1.378 -2.857 224 2HB GLU 31 2HB GLU 31 6.787 2.739 -1.753 225 1HG GLU 31 1HG GLU 31 9.105 3.307 -2.470 226 2HG GLU 31 2HG GLU 31 9.125 1.923 -3.544 227 H LEU 32 H LEU 32 6.551 -0.991 -1.067 228 HA LEU 32 HA LEU 32 4.732 -0.063 0.873 229 1HB LEU 32 1HB LEU 32 4.192 -1.700 -0.860 230 2HB LEU 32 2HB LEU 32 5.303 -2.850 -0.144 231 HG LEU 32 HG LEU 32 2.762 -1.785 1.118 232 1HD1 LEU 32 1HD1 LEU 32 2.394 -4.438 0.991 233 2HD1 LEU 32 2HD1 LEU 32 1.910 -3.323 -0.310 234 3HD1 LEU 32 3HD1 LEU 32 3.439 -4.226 -0.434 235 1HD2 LEU 32 1HD2 LEU 32 3.961 -2.152 3.015 236 2HD2 LEU 32 2HD2 LEU 32 3.397 -3.815 2.722 237 3HD2 LEU 32 3HD2 LEU 32 5.043 -3.336 2.243 238 H GLY 33 H GLY 33 7.570 -2.306 0.991 239 1HA GLY 33 1HA GLY 33 7.316 -2.871 3.758 240 2HA GLY 33 2HA GLY 33 8.715 -3.148 2.739 241 H THR 34 H THR 34 8.494 -0.102 1.950 242 HA THR 34 HA THR 34 10.457 0.792 3.755 243 HB THR 34 HB THR 34 8.651 2.365 1.843 244 HG1 THR 34 HG1 THR 34 11.314 1.205 1.495 245 1HG2 THR 34 1HG2 THR 34 9.961 3.996 2.981 246 2HG2 THR 34 2HG2 THR 34 11.330 2.878 3.190 247 3HG2 THR 34 3HG2 THR 34 10.987 3.575 1.589 248 H VAL 35 H VAL 35 6.930 1.557 3.480 249 HA VAL 35 HA VAL 35 7.017 3.247 5.763 250 HB VAL 35 HB VAL 35 5.406 3.183 3.729 251 1HG1 VAL 35 1HG1 VAL 35 3.288 1.983 4.174 252 2HG1 VAL 35 2HG1 VAL 35 4.663 0.873 3.959 253 3HG1 VAL 35 3HG1 VAL 35 4.039 1.211 5.591 254 1HG2 VAL 35 1HG2 VAL 35 3.493 3.967 5.370 255 2HG2 VAL 35 2HG2 VAL 35 4.774 3.806 6.596 256 3HG2 VAL 35 3HG2 VAL 35 4.999 4.903 5.212 257 H MET 36 H MET 36 5.855 -0.127 5.117 258 HA MET 36 HA MET 36 4.813 -0.754 7.482 259 1HB MET 36 1HB MET 36 6.705 -2.368 5.693 260 2HB MET 36 2HB MET 36 5.839 -3.104 7.026 261 1HG MET 36 1HG MET 36 4.389 -1.527 4.858 262 2HG MET 36 2HG MET 36 4.738 -3.234 4.674 263 1HE MET 36 1HE MET 36 1.334 -1.374 6.883 264 2HE MET 36 2HE MET 36 2.834 -0.489 6.517 265 3HE MET 36 3HE MET 36 1.891 -1.224 5.199 266 H ARG 37 H ARG 37 8.346 -1.161 6.691 267 HA ARG 37 HA ARG 37 9.030 -1.881 9.270 268 1HB ARG 37 1HB ARG 37 11.384 -1.317 8.523 269 2HB ARG 37 2HB ARG 37 10.525 -2.349 7.397 270 1HG ARG 37 1HG ARG 37 11.221 -0.806 5.846 271 2HG ARG 37 2HG ARG 37 9.811 0.084 6.387 272 1HD ARG 37 1HD ARG 37 11.082 1.565 7.722 273 2HD ARG 37 2HD ARG 37 12.413 0.438 7.893 274 HE ARG 37 HE ARG 37 12.317 0.971 5.155 275 1HH1 ARG 37 2HH2 ARG 37 12.648 2.916 8.069 276 2HH1 ARG 37 1HH2 ARG 37 13.578 4.153 7.291 277 1HH2 ARG 37 2HH1 ARG 37 13.543 2.604 4.128 278 2HH2 ARG 37 1HH1 ARG 37 14.090 3.975 5.035 279 H SER 38 H SER 38 8.648 1.271 7.638 280 HA SER 38 HA SER 38 10.082 2.863 9.319 281 1HB SER 38 1HB SER 38 8.451 3.264 7.156 282 2HB SER 38 2HB SER 38 7.437 3.926 8.422 283 HG SER 38 HG SER 38 10.197 4.680 7.961 284 H LEU 39 H LEU 39 7.085 1.108 9.876 285 HA LEU 39 HA LEU 39 6.265 2.736 12.091 286 1HB LEU 39 1HB LEU 39 5.319 0.091 10.990 287 2HB LEU 39 2HB LEU 39 4.614 0.860 12.398 288 HG LEU 39 HG LEU 39 4.760 2.212 9.695 289 1HD1 LEU 39 1HD1 LEU 39 3.445 -0.051 9.869 290 2HD1 LEU 39 2HD1 LEU 39 2.238 0.951 10.708 291 3HD1 LEU 39 3HD1 LEU 39 2.729 1.355 9.046 292 1HD2 LEU 39 1HD2 LEU 39 3.034 3.672 10.585 293 2HD2 LEU 39 2HD2 LEU 39 3.022 2.765 12.116 294 3HD2 LEU 39 3HD2 LEU 39 4.467 3.690 11.641 295 H GLY 40 H GLY 40 7.428 -0.694 11.741 296 1HA GLY 40 1HA GLY 40 9.450 -0.864 13.411 297 2HA GLY 40 2HA GLY 40 8.154 -0.680 14.575 298 H GLN 41 H GLN 41 8.640 -2.505 11.458 299 HA GLN 41 HA GLN 41 7.827 -4.880 12.936 300 1HB GLN 41 1HB GLN 41 6.671 -3.733 10.420 301 2HB GLN 41 2HB GLN 41 6.865 -5.474 10.464 302 1HG GLN 41 1HG GLN 41 5.614 -4.095 12.848 303 2HG GLN 41 2HG GLN 41 4.647 -4.317 11.403 304 1HE2 GLN 41 1HE2 GLN 41 3.495 -6.077 11.338 305 2HE2 GLN 41 2HE2 GLN 41 3.841 -7.595 12.095 306 H ASN 42 H ASN 42 9.530 -3.431 10.113 307 HA ASN 42 HA ASN 42 11.301 -4.029 9.016 308 1HB ASN 42 1HB ASN 42 11.866 -4.847 11.648 309 2HB ASN 42 2HB ASN 42 12.224 -6.283 10.710 310 1HD2 ASN 42 1HD2 ASN 42 12.562 -2.760 10.262 311 2HD2 ASN 42 2HD2 ASN 42 14.229 -2.759 9.790 312 HA PRO 43 HA PRO 43 9.091 -7.930 7.800 313 1HB PRO 43 1HB PRO 43 7.539 -6.985 5.759 314 2HB PRO 43 2HB PRO 43 6.945 -7.200 7.394 315 1HG PRO 43 1HG PRO 43 7.658 -4.695 5.994 316 2HG PRO 43 2HG PRO 43 6.683 -4.909 7.435 317 1HD PRO 43 1HD PRO 43 9.400 -3.995 7.321 318 2HD PRO 43 2HD PRO 43 8.463 -4.319 8.766 319 H THR 44 H THR 44 8.828 -8.867 5.382 320 HA THR 44 HA THR 44 11.401 -8.135 4.145 321 HB THR 44 HB THR 44 11.040 -10.627 3.257 322 HG1 THR 44 HG1 THR 44 8.832 -10.526 4.321 323 1HG2 THR 44 1HG2 THR 44 11.533 -11.050 6.076 324 2HG2 THR 44 2HG2 THR 44 12.716 -11.055 4.747 325 3HG2 THR 44 3HG2 THR 44 12.337 -9.537 5.594 326 H GLU 45 H GLU 45 11.523 -7.742 1.956 327 HA GLU 45 HA GLU 45 9.162 -6.801 0.805 328 1HB GLU 45 1HB GLU 45 10.570 -6.378 -1.186 329 2HB GLU 45 2HB GLU 45 11.374 -5.853 0.280 330 1HG GLU 45 1HG GLU 45 12.099 -8.596 -0.084 331 2HG GLU 45 2HG GLU 45 12.236 -7.844 -1.661 332 H ALA 46 H ALA 46 10.600 -9.960 0.998 333 HA ALA 46 HA ALA 46 9.620 -10.999 -1.444 334 1HB ALA 46 1HB ALA 46 10.944 -12.685 -0.778 335 2HB ALA 46 2HB ALA 46 11.215 -11.837 0.763 336 3HB ALA 46 3HB ALA 46 9.879 -13.003 0.613 337 H GLU 47 H GLU 47 8.494 -11.380 1.997 338 HA GLU 47 HA GLU 47 6.185 -12.712 1.344 339 1HB GLU 47 1HB GLU 47 6.962 -10.973 3.709 340 2HB GLU 47 2HB GLU 47 5.391 -11.747 3.634 341 1HG GLU 47 1HG GLU 47 7.652 -13.567 2.992 342 2HG GLU 47 2HG GLU 47 7.707 -12.923 4.621 343 H LEU 48 H LEU 48 6.931 -9.210 1.464 344 HA LEU 48 HA LEU 48 4.230 -8.383 1.221 345 1HB LEU 48 1HB LEU 48 6.918 -7.084 1.004 346 2HB LEU 48 2HB LEU 48 5.497 -6.224 0.444 347 HG LEU 48 HG LEU 48 5.930 -5.511 2.667 348 1HD1 LEU 48 1HD1 LEU 48 3.840 -5.721 3.579 349 2HD1 LEU 48 2HD1 LEU 48 3.518 -6.267 1.916 350 3HD1 LEU 48 3HD1 LEU 48 3.729 -7.461 3.220 351 1HD2 LEU 48 1HD2 LEU 48 5.757 -7.405 4.519 352 2HD2 LEU 48 2HD2 LEU 48 6.395 -8.410 3.196 353 3HD2 LEU 48 3HD2 LEU 48 7.301 -6.979 3.743 354 H GLN 49 H GLN 49 6.736 -9.504 -0.998 355 HA GLN 49 HA GLN 49 5.771 -8.323 -3.303 356 1HB GLN 49 1HB GLN 49 7.989 -9.544 -2.951 357 2HB GLN 49 2HB GLN 49 7.111 -11.053 -3.103 358 1HG GLN 49 1HG GLN 49 6.368 -10.452 -5.376 359 2HG GLN 49 2HG GLN 49 7.083 -8.859 -5.227 360 1HE2 GLN 49 1HE2 GLN 49 7.502 -11.941 -6.349 361 2HE2 GLN 49 2HE2 GLN 49 9.221 -11.985 -6.559 362 H ASP 50 H ASP 50 4.759 -11.223 -1.485 363 HA ASP 50 HA ASP 50 3.183 -12.270 -3.555 364 1HB ASP 50 1HB ASP 50 4.077 -13.454 -1.442 365 2HB ASP 50 2HB ASP 50 2.790 -12.661 -0.556 366 H MET 51 H MET 51 2.740 -9.944 -0.867 367 HA MET 51 HA MET 51 -0.066 -9.923 -0.975 368 1HB MET 51 1HB MET 51 2.028 -7.952 0.087 369 2HB MET 51 2HB MET 51 0.308 -7.713 0.327 370 1HG MET 51 1HG MET 51 0.953 -10.434 1.080 371 2HG MET 51 2HG MET 51 2.099 -9.364 1.863 372 1HE MET 51 1HE MET 51 -1.806 -10.483 3.248 373 2HE MET 51 2HE MET 51 -0.530 -11.253 2.275 374 3HE MET 51 3HE MET 51 -0.224 -10.843 3.980 375 H ILE 52 H ILE 52 2.468 -7.612 -2.189 376 HA ILE 52 HA ILE 52 0.778 -5.796 -3.357 377 HB ILE 52 HB ILE 52 2.715 -5.276 -4.827 378 1HG1 ILE 52 1HG1 ILE 52 4.859 -6.603 -3.984 379 2HG1 ILE 52 2HG1 ILE 52 3.688 -7.878 -3.713 380 1HG2 ILE 52 1HG2 ILE 52 4.316 -4.960 -2.746 381 2HG2 ILE 52 2HG2 ILE 52 2.802 -4.038 -2.908 382 3HG2 ILE 52 3HG2 ILE 52 2.865 -5.467 -1.849 383 1HD1 ILE 52 1HD1 ILE 52 4.543 -6.599 -6.299 384 2HD1 ILE 52 2HD1 ILE 52 4.238 -8.313 -5.930 385 3HD1 ILE 52 3HD1 ILE 52 2.872 -7.199 -6.176 386 H ASN 53 H ASN 53 1.729 -9.051 -4.423 387 HA ASN 53 HA ASN 53 0.990 -8.778 -7.072 388 1HB ASN 53 1HB ASN 53 2.046 -10.795 -5.487 389 2HB ASN 53 2HB ASN 53 0.433 -11.416 -5.777 390 1HD2 ASN 53 1HD2 ASN 53 3.376 -11.810 -6.782 391 2HD2 ASN 53 2HD2 ASN 53 3.197 -12.048 -8.489 392 H GLU 54 H GLU 54 -0.808 -9.415 -4.043 393 HA GLU 54 HA GLU 54 -3.167 -10.269 -5.322 394 1HB GLU 54 1HB GLU 54 -2.562 -10.845 -2.967 395 2HB GLU 54 2HB GLU 54 -2.749 -9.164 -2.509 396 1HG GLU 54 1HG GLU 54 -4.924 -9.670 -2.072 397 2HG GLU 54 2HG GLU 54 -5.158 -9.680 -3.809 398 H VAL 55 H VAL 55 -2.332 -7.207 -3.531 399 HA VAL 55 HA VAL 55 -4.619 -5.821 -4.141 400 HB VAL 55 HB VAL 55 -3.452 -3.902 -3.475 401 1HG1 VAL 55 1HG1 VAL 55 -1.806 -6.028 -2.103 402 2HG1 VAL 55 2HG1 VAL 55 -2.511 -4.538 -1.430 403 3HG1 VAL 55 3HG1 VAL 55 -3.564 -5.913 -1.844 404 1HG2 VAL 55 1HG2 VAL 55 -0.904 -5.307 -4.341 405 2HG2 VAL 55 2HG2 VAL 55 -1.652 -3.870 -5.078 406 3HG2 VAL 55 3HG2 VAL 55 -0.952 -3.770 -3.445 407 H ASP 56 H ASP 56 -1.607 -6.261 -6.068 408 HA ASP 56 HA ASP 56 -1.949 -4.444 -7.989 409 1HB ASP 56 1HB ASP 56 -0.080 -6.077 -7.886 410 2HB ASP 56 2HB ASP 56 -1.165 -7.375 -8.343 411 H ALA 57 H ALA 57 -3.926 -3.947 -8.984 412 HA ALA 57 HA ALA 57 -5.627 -6.191 -9.790 413 1HB ALA 57 1HB ALA 57 -7.341 -4.325 -10.035 414 2HB ALA 57 2HB ALA 57 -6.762 -4.618 -8.377 415 3HB ALA 57 3HB ALA 57 -6.138 -3.234 -9.306 416 H ASP 58 H ASP 58 -4.462 -2.957 -10.987 417 HA ASP 58 HA ASP 58 -5.282 -3.180 -13.536 418 1HB ASP 58 1HB ASP 58 -3.764 -1.452 -14.026 419 2HB ASP 58 2HB ASP 58 -3.949 -1.300 -12.291 420 H GLY 59 H GLY 59 -2.541 -4.762 -11.877 421 1HA GLY 59 1HA GLY 59 -1.693 -6.827 -12.626 422 2HA GLY 59 2HA GLY 59 -2.059 -6.387 -14.282 423 H ASP 60 H ASP 60 0.441 -6.771 -12.094 424 HA ASP 60 HA ASP 60 2.416 -6.042 -13.720 425 1HB ASP 60 1HB ASP 60 3.187 -3.823 -12.616 426 2HB ASP 60 2HB ASP 60 1.904 -3.732 -13.806 427 H GLY 61 H GLY 61 1.465 -5.137 -10.311 428 1HA GLY 61 1HA GLY 61 2.244 -6.933 -8.685 429 2HA GLY 61 2HA GLY 61 3.838 -6.589 -9.325 430 H THR 62 H THR 62 2.999 -3.638 -9.744 431 HA THR 62 HA THR 62 3.844 -2.770 -7.134 432 HB THR 62 HB THR 62 3.120 -1.291 -9.719 433 HG1 THR 62 HG1 THR 62 5.482 -1.379 -9.874 434 1HG2 THR 62 1HG2 THR 62 4.363 -0.426 -7.079 435 2HG2 THR 62 2HG2 THR 62 4.835 0.369 -8.600 436 3HG2 THR 62 3HG2 THR 62 3.140 0.421 -8.056 437 H ILE 63 H ILE 63 2.700 -0.753 -6.176 438 HA ILE 63 HA ILE 63 -0.130 -1.484 -5.991 439 HB ILE 63 HB ILE 63 1.509 0.145 -4.055 440 1HG1 ILE 63 1HG1 ILE 63 1.015 -2.842 -4.125 441 2HG1 ILE 63 2HG1 ILE 63 2.559 -2.016 -4.193 442 1HG2 ILE 63 1HG2 ILE 63 -1.258 -1.032 -4.032 443 2HG2 ILE 63 2HG2 ILE 63 -0.376 -0.740 -2.514 444 3HG2 ILE 63 3HG2 ILE 63 -0.721 0.613 -3.617 445 1HD1 ILE 63 1HD1 ILE 63 2.605 -2.338 -1.935 446 2HD1 ILE 63 2HD1 ILE 63 1.479 -0.961 -1.869 447 3HD1 ILE 63 3HD1 ILE 63 0.850 -2.626 -1.852 448 H ASP 64 H ASP 64 -1.555 0.542 -5.377 449 HA ASP 64 HA ASP 64 -0.624 2.916 -6.688 450 1HB ASP 64 1HB ASP 64 -1.914 1.157 -8.296 451 2HB ASP 64 2HB ASP 64 -3.322 1.916 -7.580 452 H PHE 65 H PHE 65 -2.221 4.757 -6.275 453 HA PHE 65 HA PHE 65 -3.059 4.881 -3.694 454 1HB PHE 65 1HB PHE 65 -3.158 6.392 -6.134 455 2HB PHE 65 2HB PHE 65 -4.813 6.356 -5.561 456 HD1 PHE 65 HD1 PHE 65 -4.513 6.491 -2.659 457 HD2 PHE 65 HD2 PHE 65 -2.351 8.516 -5.697 458 HE1 PHE 65 HE1 PHE 65 -3.998 8.350 -1.053 459 HE2 PHE 65 HE2 PHE 65 -1.835 10.375 -4.091 460 HZ PHE 65 HZ PHE 65 -2.665 10.269 -1.789 461 HA PRO 66 HA PRO 66 -7.385 3.553 -5.090 462 1HB PRO 66 1HB PRO 66 -7.778 2.568 -7.609 463 2HB PRO 66 2HB PRO 66 -8.069 4.241 -7.178 464 1HG PRO 66 1HG PRO 66 -5.821 3.086 -8.711 465 2HG PRO 66 2HG PRO 66 -6.355 4.754 -8.633 466 1HD PRO 66 1HD PRO 66 -4.082 3.614 -7.304 467 2HD PRO 66 2HD PRO 66 -4.684 5.252 -7.135 468 H GLU 67 H GLU 67 -4.709 1.701 -6.268 469 HA GLU 67 HA GLU 67 -6.020 -0.765 -5.995 470 1HB GLU 67 1HB GLU 67 -3.165 0.140 -6.351 471 2HB GLU 67 2HB GLU 67 -3.460 -1.525 -5.890 472 1HG GLU 67 1HG GLU 67 -5.086 -1.695 -7.856 473 2HG GLU 67 2HG GLU 67 -4.565 -0.097 -8.353 474 H PHE 68 H PHE 68 -3.549 0.954 -3.952 475 HA PHE 68 HA PHE 68 -3.467 -0.903 -1.916 476 1HB PHE 68 1HB PHE 68 -2.184 1.388 -2.525 477 2HB PHE 68 2HB PHE 68 -3.388 2.120 -1.483 478 HD1 PHE 68 HD1 PHE 68 -2.162 2.796 0.380 479 HD2 PHE 68 HD2 PHE 68 -1.682 -1.161 -1.074 480 HE1 PHE 68 HE1 PHE 68 -0.770 2.226 2.389 481 HE2 PHE 68 HE2 PHE 68 -0.290 -1.731 0.935 482 HZ PHE 68 HZ PHE 68 0.149 -0.030 2.643 483 H LEU 69 H LEU 69 -5.677 1.907 -2.424 484 HA LEU 69 HA LEU 69 -6.903 2.107 -0.049 485 1HB LEU 69 1HB LEU 69 -8.319 3.383 -1.168 486 2HB LEU 69 2HB LEU 69 -7.352 3.009 -2.581 487 HG LEU 69 HG LEU 69 -8.939 1.011 -2.932 488 1HD1 LEU 69 1HD1 LEU 69 -10.194 0.711 -1.048 489 2HD1 LEU 69 2HD1 LEU 69 -10.302 2.453 -0.699 490 3HD1 LEU 69 3HD1 LEU 69 -11.301 1.740 -1.988 491 1HD2 LEU 69 1HD2 LEU 69 -10.740 2.637 -3.875 492 2HD2 LEU 69 2HD2 LEU 69 -9.607 3.909 -3.358 493 3HD2 LEU 69 3HD2 LEU 69 -9.086 2.675 -4.531 494 H THR 70 H THR 70 -7.357 -0.507 -2.476 495 HA THR 70 HA THR 70 -9.462 -1.759 -1.023 496 HB THR 70 HB THR 70 -7.592 -2.589 -3.297 497 HG1 THR 70 HG1 THR 70 -9.401 -0.882 -3.381 498 1HG2 THR 70 1HG2 THR 70 -9.936 -4.129 -3.416 499 2HG2 THR 70 2HG2 THR 70 -8.330 -4.734 -2.943 500 3HG2 THR 70 3HG2 THR 70 -9.484 -4.205 -1.696 501 H MET 71 H MET 71 -5.893 -2.215 -1.212 502 HA MET 71 HA MET 71 -5.655 -4.523 0.134 503 1HB MET 71 1HB MET 71 -3.776 -3.146 -0.804 504 2HB MET 71 2HB MET 71 -3.994 -1.963 0.470 505 1HG MET 71 1HG MET 71 -2.112 -3.520 0.979 506 2HG MET 71 2HG MET 71 -3.375 -3.626 2.188 507 1HE MET 71 1HE MET 71 -1.116 -5.529 1.708 508 2HE MET 71 2HE MET 71 -2.272 -6.310 2.814 509 3HE MET 71 3HE MET 71 -1.672 -7.190 1.388 510 H MET 72 H MET 72 -5.618 -1.236 1.709 511 HA MET 72 HA MET 72 -5.621 -2.208 4.283 512 1HB MET 72 1HB MET 72 -5.799 0.316 2.906 513 2HB MET 72 2HB MET 72 -7.116 0.297 4.062 514 1HG MET 72 1HG MET 72 -4.394 -0.609 5.008 515 2HG MET 72 2HG MET 72 -4.648 1.108 4.761 516 1HE MET 72 1HE MET 72 -3.767 -0.180 7.130 517 2HE MET 72 2HE MET 72 -4.744 0.340 8.524 518 3HE MET 72 3HE MET 72 -4.899 -1.319 7.899 519 H ALA 73 H ALA 73 -8.431 -0.861 2.394 520 HA ALA 73 HA ALA 73 -10.419 -1.271 4.168 521 1HB ALA 73 1HB ALA 73 -10.422 -1.748 1.160 522 2HB ALA 73 2HB ALA 73 -11.883 -1.554 2.158 523 3HB ALA 73 3HB ALA 73 -10.730 -0.208 1.996 524 H ARG 74 H ARG 74 -9.280 -3.719 1.728 525 HA ARG 74 HA ARG 74 -10.912 -5.723 2.671 526 1HB ARG 74 1HB ARG 74 -8.268 -5.740 1.156 527 2HB ARG 74 2HB ARG 74 -9.087 -7.238 1.550 528 1HG ARG 74 1HG ARG 74 -10.688 -5.040 0.235 529 2HG ARG 74 2HG ARG 74 -9.566 -5.952 -0.755 530 1HD ARG 74 1HD ARG 74 -10.908 -7.800 -0.761 531 2HD ARG 74 2HD ARG 74 -11.155 -7.729 0.973 532 HE ARG 74 HE ARG 74 -13.132 -6.489 0.639 533 1HH1 ARG 74 2HH2 ARG 74 -11.320 -6.697 -2.370 534 2HH1 ARG 74 1HH2 ARG 74 -12.607 -6.059 -3.338 535 1HH2 ARG 74 2HH1 ARG 74 -14.830 -5.648 -0.638 536 2HH2 ARG 74 1HH1 ARG 74 -14.617 -5.459 -2.346 537 H LYS 75 H LYS 75 -7.620 -4.643 3.618 538 HA LYS 75 HA LYS 75 -6.668 -6.713 5.041 539 1HB LYS 75 1HB LYS 75 -5.961 -4.123 4.710 540 2HB LYS 75 2HB LYS 75 -6.483 -4.067 6.382 541 1HG LYS 75 1HG LYS 75 -4.185 -4.647 6.530 542 2HG LYS 75 2HG LYS 75 -5.014 -6.175 6.753 543 1HD LYS 75 1HD LYS 75 -4.395 -5.467 3.915 544 2HD LYS 75 2HD LYS 75 -2.998 -5.773 4.929 545 1HE LYS 75 1HE LYS 75 -4.872 -7.826 5.570 546 2HE LYS 75 2HE LYS 75 -4.915 -7.680 3.824 547 1HZ LYS 75 1HZ LYS 75 -3.020 -8.769 3.792 548 2HZ LYS 75 2HZ LYS 75 -2.271 -7.540 4.565 549 3HZ LYS 75 3HZ LYS 75 -2.907 -8.777 5.422 550 H MET 76 H MET 76 -8.957 -4.206 6.340 551 HA MET 76 HA MET 76 -9.254 -5.397 8.800 552 1HB MET 76 1HB MET 76 -10.660 -3.383 7.111 553 2HB MET 76 2HB MET 76 -11.725 -4.177 8.254 554 1HG MET 76 1HG MET 76 -9.480 -3.638 9.823 555 2HG MET 76 2HG MET 76 -9.526 -2.249 8.757 556 1HE MET 76 1HE MET 76 -12.412 -3.622 11.923 557 2HE MET 76 2HE MET 76 -10.906 -4.349 11.315 558 3HE MET 76 3HE MET 76 -10.841 -2.908 12.358 559 H LYS 77 H LYS 77 -11.029 -5.914 5.706 560 HA LYS 77 HA LYS 77 -13.051 -7.524 6.746 561 1HB LYS 77 1HB LYS 77 -12.417 -6.446 4.299 562 2HB LYS 77 2HB LYS 77 -12.137 -8.152 4.014 563 1HG LYS 77 1HG LYS 77 -14.440 -8.579 5.106 564 2HG LYS 77 2HG LYS 77 -14.700 -6.848 5.026 565 1HD LYS 77 1HD LYS 77 -13.741 -8.027 2.473 566 2HD LYS 77 2HD LYS 77 -15.293 -8.650 2.995 567 1HE LYS 77 1HE LYS 77 -15.144 -5.733 3.342 568 2HE LYS 77 2HE LYS 77 -14.821 -6.194 1.683 569 1HZ LYS 77 1HZ LYS 77 -17.036 -7.524 2.958 570 2HZ LYS 77 2HZ LYS 77 -17.242 -5.935 2.644 571 3HZ LYS 77 3HZ LYS 77 -16.894 -6.969 1.428 572 H ASP 78 H ASP 78 -9.980 -8.504 5.059 573 HA ASP 78 HA ASP 78 -10.254 -11.170 5.434 574 1HB ASP 78 1HB ASP 78 -8.247 -9.392 4.560 575 2HB ASP 78 2HB ASP 78 -7.484 -10.263 5.876 576 H THR 79 H THR 79 -8.305 -8.848 7.474 577 HA THR 79 HA THR 79 -7.752 -10.682 9.516 578 HB THR 79 HB THR 79 -6.737 -8.323 8.857 579 HG1 THR 79 HG1 THR 79 -6.183 -8.213 11.244 580 1HG2 THR 79 1HG2 THR 79 -7.584 -6.439 9.993 581 2HG2 THR 79 2HG2 THR 79 -9.099 -7.255 9.536 582 3HG2 THR 79 3HG2 THR 79 -8.455 -7.431 11.186 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -16.754 5.820 1.588 2 HA ALA 1 HA ALA 1 -17.283 8.701 1.331 3 1HB ALA 1 1HB ALA 1 -17.064 8.234 -0.869 4 2HB ALA 1 2HB ALA 1 -17.121 6.477 -0.585 5 3HB ALA 1 3HB ALA 1 -18.633 7.405 -0.725 6 H ASP 2 H ASP 2 -18.939 5.460 1.234 7 HA ASP 2 HA ASP 2 -21.027 6.706 2.837 8 1HB ASP 2 1HB ASP 2 -21.215 5.518 0.182 9 2HB ASP 2 2HB ASP 2 -22.172 4.575 1.307 10 H GLN 3 H GLN 3 -18.521 4.771 3.092 11 HA GLN 3 HA GLN 3 -19.962 2.816 4.679 12 1HB GLN 3 1HB GLN 3 -18.370 1.031 3.901 13 2HB GLN 3 2HB GLN 3 -19.443 1.607 2.642 14 1HG GLN 3 1HG GLN 3 -17.513 3.287 2.053 15 2HG GLN 3 2HG GLN 3 -16.497 2.245 3.030 16 1HE2 GLN 3 1HE2 GLN 3 -16.098 0.123 2.411 17 2HE2 GLN 3 2HE2 GLN 3 -16.348 -0.450 0.795 18 H LEU 4 H LEU 4 -16.722 4.175 3.762 19 HA LEU 4 HA LEU 4 -16.106 5.059 6.296 20 1HB LEU 4 1HB LEU 4 -15.256 3.395 7.471 21 2HB LEU 4 2HB LEU 4 -16.081 2.330 6.351 22 HG LEU 4 HG LEU 4 -13.867 2.520 4.953 23 1HD1 LEU 4 1HD1 LEU 4 -11.875 2.689 6.493 24 2HD1 LEU 4 2HD1 LEU 4 -12.721 4.218 6.151 25 3HD1 LEU 4 3HD1 LEU 4 -12.972 3.390 7.707 26 1HD2 LEU 4 1HD2 LEU 4 -13.407 0.423 5.643 27 2HD2 LEU 4 2HD2 LEU 4 -13.399 0.869 7.366 28 3HD2 LEU 4 3HD2 LEU 4 -14.944 0.607 6.522 29 H THR 5 H THR 5 -15.035 3.645 3.194 30 HA THR 5 HA THR 5 -12.487 4.440 2.953 31 HB THR 5 HB THR 5 -13.941 5.237 0.566 32 HG1 THR 5 HG1 THR 5 -15.768 4.156 1.424 33 1HG2 THR 5 1HG2 THR 5 -11.817 3.962 0.487 34 2HG2 THR 5 2HG2 THR 5 -12.567 2.624 1.390 35 3HG2 THR 5 3HG2 THR 5 -13.114 3.000 -0.262 36 H GLU 6 H GLU 6 -15.287 6.576 3.279 37 HA GLU 6 HA GLU 6 -14.316 8.866 2.232 38 1HB GLU 6 1HB GLU 6 -16.586 8.551 3.223 39 2HB GLU 6 2HB GLU 6 -15.888 8.571 4.830 40 1HG GLU 6 1HG GLU 6 -15.446 10.860 4.773 41 2HG GLU 6 2HG GLU 6 -15.212 10.887 3.037 42 H GLU 7 H GLU 7 -13.966 7.849 5.714 43 HA GLU 7 HA GLU 7 -12.110 9.900 6.213 44 1HB GLU 7 1HB GLU 7 -11.771 8.619 8.393 45 2HB GLU 7 2HB GLU 7 -13.418 9.112 8.057 46 1HG GLU 7 1HG GLU 7 -14.152 6.943 7.698 47 2HG GLU 7 2HG GLU 7 -12.633 6.426 6.994 48 H GLN 8 H GLN 8 -11.910 6.490 5.195 49 HA GLN 8 HA GLN 8 -9.256 6.067 5.827 50 1HB GLN 8 1HB GLN 8 -11.138 4.436 4.985 51 2HB GLN 8 2HB GLN 8 -10.574 4.857 3.381 52 1HG GLN 8 1HG GLN 8 -9.334 2.900 3.989 53 2HG GLN 8 2HG GLN 8 -8.207 4.231 4.161 54 1HE2 GLN 8 1HE2 GLN 8 -9.983 1.741 5.720 55 2HE2 GLN 8 2HE2 GLN 8 -9.380 1.942 7.332 56 H ILE 9 H ILE 9 -10.718 6.938 2.605 57 HA ILE 9 HA ILE 9 -8.290 7.355 1.326 58 HB ILE 9 HB ILE 9 -9.592 8.495 -0.361 59 1HG1 ILE 9 1HG1 ILE 9 -12.240 8.337 0.676 60 2HG1 ILE 9 2HG1 ILE 9 -11.275 9.204 1.853 61 1HG2 ILE 9 1HG2 ILE 9 -10.765 6.007 0.869 62 2HG2 ILE 9 2HG2 ILE 9 -11.429 6.711 -0.625 63 3HG2 ILE 9 3HG2 ILE 9 -9.732 6.176 -0.571 64 1HD1 ILE 9 1HD1 ILE 9 -10.346 10.365 -0.444 65 2HD1 ILE 9 2HD1 ILE 9 -12.011 9.972 -0.933 66 3HD1 ILE 9 3HD1 ILE 9 -11.722 10.998 0.491 67 H ALA 10 H ALA 10 -9.917 9.196 3.785 68 HA ALA 10 HA ALA 10 -8.916 11.744 3.090 69 1HB ALA 10 1HB ALA 10 -9.319 11.445 5.925 70 2HB ALA 10 2HB ALA 10 -10.345 12.283 4.736 71 3HB ALA 10 3HB ALA 10 -10.596 10.552 5.065 72 H GLU 11 H GLU 11 -7.908 9.384 5.673 73 HA GLU 11 HA GLU 11 -5.530 10.810 6.138 74 1HB GLU 11 1HB GLU 11 -6.720 8.206 7.066 75 2HB GLU 11 2HB GLU 11 -5.006 8.457 7.327 76 1HG GLU 11 1HG GLU 11 -5.339 10.211 8.827 77 2HG GLU 11 2HG GLU 11 -6.828 10.731 8.063 78 H PHE 12 H PHE 12 -6.389 7.811 4.321 79 HA PHE 12 HA PHE 12 -3.902 6.890 3.715 80 1HB PHE 12 1HB PHE 12 -6.595 7.070 2.298 81 2HB PHE 12 2HB PHE 12 -5.250 6.368 1.423 82 HD1 PHE 12 HD1 PHE 12 -5.232 5.862 4.997 83 HD2 PHE 12 HD2 PHE 12 -6.640 4.296 1.313 84 HE1 PHE 12 HE1 PHE 12 -5.667 3.650 6.103 85 HE2 PHE 12 HE2 PHE 12 -7.075 2.085 2.419 86 HZ PHE 12 HZ PHE 12 -6.583 1.788 4.801 87 H LYS 13 H LYS 13 -5.605 9.734 2.404 88 HA LYS 13 HA LYS 13 -4.175 10.108 0.081 89 1HB LYS 13 1HB LYS 13 -6.215 11.372 1.198 90 2HB LYS 13 2HB LYS 13 -4.963 12.453 1.775 91 1HG LYS 13 1HG LYS 13 -4.376 13.164 -0.377 92 2HG LYS 13 2HG LYS 13 -4.874 11.662 -1.131 93 1HD LYS 13 1HD LYS 13 -7.232 12.779 0.039 94 2HD LYS 13 2HD LYS 13 -6.406 14.109 -0.750 95 1HE LYS 13 1HE LYS 13 -6.546 11.554 -2.312 96 2HE LYS 13 2HE LYS 13 -8.073 12.375 -2.058 97 1HZ LYS 13 1HZ LYS 13 -6.684 13.036 -4.043 98 2HZ LYS 13 2HZ LYS 13 -7.305 14.247 -3.141 99 3HZ LYS 13 3HZ LYS 13 -5.728 13.847 -2.997 100 H GLU 14 H GLU 14 -3.438 11.320 3.422 101 HA GLU 14 HA GLU 14 -0.999 12.439 2.589 102 1HB GLU 14 1HB GLU 14 -2.118 11.748 5.337 103 2HB GLU 14 2HB GLU 14 -0.584 12.566 5.114 104 1HG GLU 14 1HG GLU 14 -1.677 14.540 4.922 105 2HG GLU 14 2HG GLU 14 -2.456 13.956 3.465 106 H ALA 15 H ALA 15 -2.047 9.244 3.713 107 HA ALA 15 HA ALA 15 0.480 8.287 4.495 108 1HB ALA 15 1HB ALA 15 -0.602 6.139 4.512 109 2HB ALA 15 2HB ALA 15 -1.807 7.335 5.048 110 3HB ALA 15 3HB ALA 15 -1.863 6.698 3.387 111 H PHE 16 H PHE 16 -1.326 8.329 1.374 112 HA PHE 16 HA PHE 16 0.270 6.680 -0.099 113 1HB PHE 16 1HB PHE 16 -1.740 7.625 -1.053 114 2HB PHE 16 2HB PHE 16 -1.293 9.255 -0.590 115 HD1 PHE 16 HD1 PHE 16 -0.005 6.501 -2.766 116 HD2 PHE 16 HD2 PHE 16 -0.598 10.673 -2.266 117 HE1 PHE 16 HE1 PHE 16 0.900 6.907 -5.072 118 HE2 PHE 16 HE2 PHE 16 0.306 11.078 -4.572 119 HZ PHE 16 HZ PHE 16 1.044 9.191 -5.947 120 H SER 17 H SER 17 0.822 10.109 0.834 121 HA SER 17 HA SER 17 2.881 10.645 -0.884 122 1HB SER 17 1HB SER 17 1.963 11.680 1.767 123 2HB SER 17 2HB SER 17 3.610 12.084 1.324 124 HG SER 17 HG SER 17 1.196 13.021 0.271 125 H LEU 18 H LEU 18 3.070 9.481 2.565 126 HA LEU 18 HA LEU 18 5.843 9.105 2.520 127 1HB LEU 18 1HB LEU 18 3.596 8.143 4.261 128 2HB LEU 18 2HB LEU 18 5.226 7.545 4.503 129 HG LEU 18 HG LEU 18 4.817 10.507 4.378 130 1HD1 LEU 18 1HD1 LEU 18 4.591 9.630 7.105 131 2HD1 LEU 18 2HD1 LEU 18 3.503 10.670 6.156 132 3HD1 LEU 18 3HD1 LEU 18 3.291 8.903 6.130 133 1HD2 LEU 18 1HD2 LEU 18 6.795 8.583 5.483 134 2HD2 LEU 18 2HD2 LEU 18 7.034 10.156 4.686 135 3HD2 LEU 18 3HD2 LEU 18 6.531 10.090 6.392 136 H PHE 19 H PHE 19 3.168 6.642 2.361 137 HA PHE 19 HA PHE 19 4.692 4.455 1.877 138 1HB PHE 19 1HB PHE 19 1.948 5.420 1.525 139 2HB PHE 19 2HB PHE 19 2.361 4.418 0.149 140 HD1 PHE 19 HD1 PHE 19 2.256 2.092 0.317 141 HD2 PHE 19 HD2 PHE 19 2.338 4.415 3.867 142 HE1 PHE 19 HE1 PHE 19 1.788 0.034 1.674 143 HE2 PHE 19 HE2 PHE 19 1.870 2.357 5.225 144 HZ PHE 19 HZ PHE 19 1.601 0.191 4.112 145 H ASP 20 H ASP 20 3.901 7.118 -0.349 146 HA ASP 20 HA ASP 20 5.150 5.606 -2.492 147 1HB ASP 20 1HB ASP 20 2.846 6.827 -2.702 148 2HB ASP 20 2HB ASP 20 3.777 8.311 -2.734 149 H LYS 21 H LYS 21 7.044 6.318 -0.689 150 HA LYS 21 HA LYS 21 7.996 8.861 -0.550 151 1HB LYS 21 1HB LYS 21 10.266 7.716 -0.295 152 2HB LYS 21 2HB LYS 21 8.997 7.254 0.822 153 1HG LYS 21 1HG LYS 21 8.613 5.491 -1.324 154 2HG LYS 21 2HG LYS 21 10.358 5.637 -1.245 155 1HD LYS 21 1HD LYS 21 10.092 3.954 0.320 156 2HD LYS 21 2HD LYS 21 9.912 5.327 1.393 157 1HE LYS 21 1HE LYS 21 7.370 4.573 0.079 158 2HE LYS 21 2HE LYS 21 8.044 3.271 1.038 159 1HZ LYS 21 1HZ LYS 21 7.395 5.982 1.942 160 2HZ LYS 21 2HZ LYS 21 6.752 4.574 2.460 161 3HZ LYS 21 3HZ LYS 21 8.294 4.955 2.837 162 H ASP 22 H ASP 22 8.532 6.425 -3.163 163 HA ASP 22 HA ASP 22 10.387 7.546 -4.644 164 1HB ASP 22 1HB ASP 22 8.129 5.837 -5.107 165 2HB ASP 22 2HB ASP 22 8.150 6.997 -6.420 166 H GLY 23 H GLY 23 6.845 8.414 -4.818 167 1HA GLY 23 1HA GLY 23 5.921 10.496 -5.055 168 2HA GLY 23 2HA GLY 23 7.507 11.192 -5.322 169 H ASP 24 H ASP 24 6.119 8.344 -7.042 170 HA ASP 24 HA ASP 24 6.241 9.968 -9.460 171 1HB ASP 24 1HB ASP 24 6.296 7.517 -10.506 172 2HB ASP 24 2HB ASP 24 7.762 8.270 -9.911 173 H GLY 25 H GLY 25 4.398 7.780 -7.356 174 1HA GLY 25 1HA GLY 25 1.991 8.077 -7.389 175 2HA GLY 25 2HA GLY 25 2.055 8.069 -9.140 176 H THR 26 H THR 26 4.151 5.909 -7.244 177 HA THR 26 HA THR 26 2.317 3.694 -7.406 178 HB THR 26 HB THR 26 4.198 2.453 -8.821 179 HG1 THR 26 HG1 THR 26 5.040 4.262 -10.310 180 1HG2 THR 26 1HG2 THR 26 1.814 3.159 -9.627 181 2HG2 THR 26 2HG2 THR 26 2.616 4.592 -10.313 182 3HG2 THR 26 3HG2 THR 26 3.066 2.965 -10.877 183 H ILE 27 H ILE 27 2.533 2.644 -5.542 184 HA ILE 27 HA ILE 27 4.937 3.056 -4.010 185 HB ILE 27 HB ILE 27 2.252 1.818 -3.516 186 1HG1 ILE 27 1HG1 ILE 27 2.372 3.489 -1.590 187 2HG1 ILE 27 2HG1 ILE 27 3.810 4.137 -2.354 188 1HG2 ILE 27 1HG2 ILE 27 2.960 1.154 -1.278 189 2HG2 ILE 27 2HG2 ILE 27 3.878 0.276 -2.525 190 3HG2 ILE 27 3HG2 ILE 27 4.635 1.630 -1.651 191 1HD1 ILE 27 1HD1 ILE 27 1.567 3.759 -4.249 192 2HD1 ILE 27 2HD1 ILE 27 1.210 4.908 -2.937 193 3HD1 ILE 27 3HD1 ILE 27 2.615 5.176 -3.996 194 H THR 28 H THR 28 6.648 1.984 -4.992 195 HA THR 28 HA THR 28 6.400 -0.600 -6.100 196 HB THR 28 HB THR 28 8.788 1.055 -5.128 197 HG1 THR 28 HG1 THR 28 8.789 1.281 -7.591 198 1HG2 THR 28 1HG2 THR 28 9.883 -0.385 -7.048 199 2HG2 THR 28 2HG2 THR 28 9.729 -1.115 -5.432 200 3HG2 THR 28 3HG2 THR 28 8.565 -1.534 -6.713 201 H THR 29 H THR 29 7.033 -2.643 -5.350 202 HA THR 29 HA THR 29 6.231 -3.378 -2.876 203 HB THR 29 HB THR 29 7.502 -5.442 -3.326 204 HG1 THR 29 HG1 THR 29 8.803 -3.667 -5.271 205 1HG2 THR 29 1HG2 THR 29 5.674 -4.487 -5.106 206 2HG2 THR 29 2HG2 THR 29 7.115 -4.481 -6.151 207 3HG2 THR 29 3HG2 THR 29 6.574 -5.997 -5.391 208 H LYS 30 H LYS 30 9.453 -2.083 -3.771 209 HA LYS 30 HA LYS 30 10.660 -2.634 -1.305 210 1HB LYS 30 1HB LYS 30 12.405 -1.168 -2.047 211 2HB LYS 30 2HB LYS 30 11.848 -2.101 -3.422 212 1HG LYS 30 1HG LYS 30 10.226 -0.045 -3.832 213 2HG LYS 30 2HG LYS 30 11.341 0.822 -2.794 214 1HD LYS 30 1HD LYS 30 12.181 -0.728 -5.289 215 2HD LYS 30 2HD LYS 30 11.886 0.999 -5.260 216 1HE LYS 30 1HE LYS 30 13.706 0.198 -3.095 217 2HE LYS 30 2HE LYS 30 14.320 -0.307 -4.657 218 1HZ LYS 30 1HZ LYS 30 14.015 2.323 -3.610 219 2HZ LYS 30 2HZ LYS 30 15.003 1.782 -4.792 220 3HZ LYS 30 3HZ LYS 30 13.458 2.179 -5.138 221 H GLU 31 H GLU 31 8.801 0.198 -2.548 222 HA GLU 31 HA GLU 31 9.227 1.748 -0.274 223 1HB GLU 31 1HB GLU 31 7.061 1.798 -2.413 224 2HB GLU 31 2HB GLU 31 7.166 3.007 -1.149 225 1HG GLU 31 1HG GLU 31 9.386 3.701 -1.886 226 2HG GLU 31 2HG GLU 31 9.505 2.347 -2.992 227 H LEU 32 H LEU 32 6.981 -0.878 -1.047 228 HA LEU 32 HA LEU 32 5.048 -0.312 0.903 229 1HB LEU 32 1HB LEU 32 4.467 -1.756 -0.844 230 2HB LEU 32 2HB LEU 32 5.877 -2.771 -0.609 231 HG LEU 32 HG LEU 32 3.690 -3.774 0.102 232 1HD1 LEU 32 1HD1 LEU 32 4.897 -5.121 1.390 233 2HD1 LEU 32 2HD1 LEU 32 6.224 -3.940 1.280 234 3HD1 LEU 32 3HD1 LEU 32 5.078 -3.867 2.640 235 1HD2 LEU 32 1HD2 LEU 32 2.875 -1.556 1.100 236 2HD2 LEU 32 2HD2 LEU 32 2.514 -3.053 1.992 237 3HD2 LEU 32 3HD2 LEU 32 3.839 -1.993 2.531 238 H GLY 33 H GLY 33 8.003 -2.410 0.934 239 1HA GLY 33 1HA GLY 33 7.667 -3.185 3.653 240 2HA GLY 33 2HA GLY 33 9.089 -3.392 2.651 241 H THR 34 H THR 34 8.911 -0.319 2.034 242 HA THR 34 HA THR 34 10.739 0.445 4.077 243 HB THR 34 HB THR 34 9.332 1.980 1.829 244 HG1 THR 34 HG1 THR 34 11.954 0.723 2.250 245 1HG2 THR 34 1HG2 THR 34 10.534 3.295 3.815 246 2HG2 THR 34 2HG2 THR 34 12.019 2.680 3.051 247 3HG2 THR 34 3HG2 THR 34 10.906 3.719 2.127 248 H VAL 35 H VAL 35 7.470 1.747 3.176 249 HA VAL 35 HA VAL 35 7.204 3.434 5.311 250 HB VAL 35 HB VAL 35 5.754 3.071 3.237 251 1HG1 VAL 35 1HG1 VAL 35 5.317 0.602 4.068 252 2HG1 VAL 35 2HG1 VAL 35 3.999 1.375 4.981 253 3HG1 VAL 35 3HG1 VAL 35 4.054 1.514 3.207 254 1HG2 VAL 35 1HG2 VAL 35 3.700 3.485 5.184 255 2HG2 VAL 35 2HG2 VAL 35 5.208 4.205 5.798 256 3HG2 VAL 35 3HG2 VAL 35 4.572 4.691 4.208 257 H MET 36 H MET 36 6.719 -0.113 5.129 258 HA MET 36 HA MET 36 5.363 -0.544 7.418 259 1HB MET 36 1HB MET 36 7.690 -2.072 6.139 260 2HB MET 36 2HB MET 36 6.774 -2.737 7.477 261 1HG MET 36 1HG MET 36 5.264 -1.707 5.066 262 2HG MET 36 2HG MET 36 6.075 -3.255 4.947 263 1HE MET 36 1HE MET 36 3.377 -1.171 6.085 264 2HE MET 36 2HE MET 36 2.525 -2.467 5.212 265 3HE MET 36 3HE MET 36 2.228 -2.220 6.949 266 H ARG 37 H ARG 37 8.980 -0.344 7.085 267 HA ARG 37 HA ARG 37 9.565 -0.738 9.708 268 1HB ARG 37 1HB ARG 37 11.740 0.042 9.173 269 2HB ARG 37 2HB ARG 37 11.117 -0.459 7.614 270 1HG ARG 37 1HG ARG 37 11.801 1.641 6.973 271 2HG ARG 37 2HG ARG 37 10.236 2.115 7.603 272 1HD ARG 37 1HD ARG 37 11.304 2.574 9.843 273 2HD ARG 37 2HD ARG 37 12.865 2.160 9.164 274 HE ARG 37 HE ARG 37 12.017 4.074 7.408 275 1HH1 ARG 37 2HH2 ARG 37 12.076 4.001 10.925 276 2HH1 ARG 37 1HH2 ARG 37 12.263 5.715 11.085 277 1HH2 ARG 37 2HH1 ARG 37 12.265 6.336 7.618 278 2HH2 ARG 37 1HH1 ARG 37 12.372 7.052 9.191 279 H SER 38 H SER 38 8.249 2.109 8.062 280 HA SER 38 HA SER 38 8.969 3.963 10.042 281 1HB SER 38 1HB SER 38 7.804 4.039 7.488 282 2HB SER 38 2HB SER 38 6.523 4.612 8.538 283 HG SER 38 HG SER 38 8.109 6.152 9.449 284 H LEU 39 H LEU 39 6.399 1.576 9.659 285 HA LEU 39 HA LEU 39 4.752 2.817 11.692 286 1HB LEU 39 1HB LEU 39 4.474 0.345 9.989 287 2HB LEU 39 2HB LEU 39 3.352 0.743 11.275 288 HG LEU 39 HG LEU 39 3.861 2.879 9.269 289 1HD1 LEU 39 1HD1 LEU 39 2.146 0.485 8.562 290 2HD1 LEU 39 2HD1 LEU 39 2.445 1.937 7.576 291 3HD1 LEU 39 3HD1 LEU 39 3.771 0.795 7.904 292 1HD2 LEU 39 1HD2 LEU 39 1.474 3.281 9.566 293 2HD2 LEU 39 2HD2 LEU 39 1.338 1.819 10.572 294 3HD2 LEU 39 3HD2 LEU 39 2.307 3.202 11.137 295 H GLY 40 H GLY 40 6.723 -0.184 11.208 296 1HA GLY 40 1HA GLY 40 8.070 -0.409 13.441 297 2HA GLY 40 2HA GLY 40 6.474 -0.776 14.066 298 H GLN 41 H GLN 41 8.183 -1.595 10.957 299 HA GLN 41 HA GLN 41 8.428 -4.298 11.688 300 1HB GLN 41 1HB GLN 41 6.884 -5.004 9.637 301 2HB GLN 41 2HB GLN 41 6.206 -4.776 11.237 302 1HG GLN 41 1HG GLN 41 6.329 -2.229 9.787 303 2HG GLN 41 2HG GLN 41 5.452 -3.429 8.860 304 1HE2 GLN 41 1HE2 GLN 41 3.594 -4.389 9.693 305 2HE2 GLN 41 2HE2 GLN 41 2.682 -3.698 10.993 306 H ASN 42 H ASN 42 9.992 -5.285 10.391 307 HA ASN 42 HA ASN 42 10.690 -3.799 7.983 308 1HB ASN 42 1HB ASN 42 12.261 -4.020 10.313 309 2HB ASN 42 2HB ASN 42 12.931 -5.255 9.264 310 1HD2 ASN 42 1HD2 ASN 42 12.009 -1.851 9.455 311 2HD2 ASN 42 2HD2 ASN 42 13.145 -1.237 8.300 312 HA PRO 43 HA PRO 43 10.052 -8.289 7.227 313 1HB PRO 43 1HB PRO 43 8.108 -8.102 5.315 314 2HB PRO 43 2HB PRO 43 7.760 -8.344 7.016 315 1HG PRO 43 1HG PRO 43 7.472 -5.888 5.396 316 2HG PRO 43 2HG PRO 43 6.750 -6.272 6.946 317 1HD PRO 43 1HD PRO 43 8.982 -4.533 6.477 318 2HD PRO 43 2HD PRO 43 8.333 -5.009 8.034 319 H THR 44 H THR 44 9.789 -9.403 4.818 320 HA THR 44 HA THR 44 12.024 -8.125 3.392 321 HB THR 44 HB THR 44 12.065 -10.619 2.440 322 HG1 THR 44 HG1 THR 44 11.236 -11.928 4.396 323 1HG2 THR 44 1HG2 THR 44 13.666 -11.208 4.064 324 2HG2 THR 44 2HG2 THR 44 13.638 -9.440 4.266 325 3HG2 THR 44 3HG2 THR 44 12.730 -10.479 5.390 326 H GLU 45 H GLU 45 11.915 -7.675 1.211 327 HA GLU 45 HA GLU 45 9.425 -7.029 0.243 328 1HB GLU 45 1HB GLU 45 10.587 -6.605 -1.899 329 2HB GLU 45 2HB GLU 45 11.512 -5.984 -0.547 330 1HG GLU 45 1HG GLU 45 13.244 -7.125 -1.529 331 2HG GLU 45 2HG GLU 45 12.565 -8.502 -0.683 332 H ALA 46 H ALA 46 11.052 -10.095 0.388 333 HA ALA 46 HA ALA 46 9.871 -11.276 -1.900 334 1HB ALA 46 1HB ALA 46 11.839 -12.288 -1.071 335 2HB ALA 46 2HB ALA 46 11.241 -12.286 0.605 336 3HB ALA 46 3HB ALA 46 10.541 -13.406 -0.587 337 H GLU 47 H GLU 47 9.188 -11.634 1.659 338 HA GLU 47 HA GLU 47 6.923 -13.124 1.349 339 1HB GLU 47 1HB GLU 47 8.019 -11.329 3.490 340 2HB GLU 47 2HB GLU 47 6.343 -11.815 3.647 341 1HG GLU 47 1HG GLU 47 7.880 -14.144 2.893 342 2HG GLU 47 2HG GLU 47 8.708 -13.358 4.222 343 H LEU 48 H LEU 48 7.358 -9.549 1.332 344 HA LEU 48 HA LEU 48 4.578 -9.001 1.245 345 1HB LEU 48 1HB LEU 48 7.095 -7.427 0.811 346 2HB LEU 48 2HB LEU 48 5.538 -6.732 0.405 347 HG LEU 48 HG LEU 48 6.270 -6.033 2.619 348 1HD1 LEU 48 1HD1 LEU 48 3.760 -7.226 2.000 349 2HD1 LEU 48 2HD1 LEU 48 4.146 -7.600 3.697 350 3HD1 LEU 48 3HD1 LEU 48 4.121 -5.909 3.141 351 1HD2 LEU 48 1HD2 LEU 48 7.678 -7.816 3.318 352 2HD2 LEU 48 2HD2 LEU 48 6.334 -7.727 4.481 353 3HD2 LEU 48 3HD2 LEU 48 6.347 -8.994 3.232 354 H GLN 49 H GLN 49 7.062 -9.865 -1.119 355 HA GLN 49 HA GLN 49 6.088 -8.823 -3.393 356 1HB GLN 49 1HB GLN 49 8.134 -10.323 -3.045 357 2HB GLN 49 2HB GLN 49 7.057 -11.702 -3.153 358 1HG GLN 49 1HG GLN 49 6.289 -10.864 -5.419 359 2HG GLN 49 2HG GLN 49 7.477 -9.580 -5.311 360 1HE2 GLN 49 1HE2 GLN 49 9.577 -9.961 -5.712 361 2HE2 GLN 49 2HE2 GLN 49 10.241 -11.482 -6.208 362 H ASP 50 H ASP 50 4.848 -11.665 -1.573 363 HA ASP 50 HA ASP 50 3.027 -12.411 -3.571 364 1HB ASP 50 1HB ASP 50 3.899 -13.845 -1.643 365 2HB ASP 50 2HB ASP 50 2.864 -12.929 -0.566 366 H MET 51 H MET 51 3.052 -10.168 -0.790 367 HA MET 51 HA MET 51 0.263 -9.853 -0.648 368 1HB MET 51 1HB MET 51 2.639 -8.935 0.712 369 2HB MET 51 2HB MET 51 1.737 -7.502 0.259 370 1HG MET 51 1HG MET 51 0.588 -9.886 1.792 371 2HG MET 51 2HG MET 51 1.064 -8.362 2.512 372 1HE MET 51 1HE MET 51 -1.544 -5.844 1.439 373 2HE MET 51 2HE MET 51 -0.274 -6.309 2.597 374 3HE MET 51 3HE MET 51 0.139 -6.026 0.889 375 H ILE 52 H ILE 52 2.913 -7.750 -1.991 376 HA ILE 52 HA ILE 52 1.307 -5.751 -2.976 377 HB ILE 52 HB ILE 52 3.187 -5.348 -4.565 378 1HG1 ILE 52 1HG1 ILE 52 5.257 -6.882 -3.814 379 2HG1 ILE 52 2HG1 ILE 52 3.975 -8.057 -3.595 380 1HG2 ILE 52 1HG2 ILE 52 4.350 -5.842 -1.846 381 2HG2 ILE 52 2HG2 ILE 52 4.530 -4.442 -2.930 382 3HG2 ILE 52 3HG2 ILE 52 3.010 -4.687 -2.037 383 1HD1 ILE 52 1HD1 ILE 52 3.358 -8.021 -5.872 384 2HD1 ILE 52 2HD1 ILE 52 4.083 -6.418 -6.141 385 3HD1 ILE 52 3HD1 ILE 52 5.127 -7.847 -5.948 386 H ASN 53 H ASN 53 1.971 -9.014 -4.249 387 HA ASN 53 HA ASN 53 0.990 -8.524 -6.807 388 1HB ASN 53 1HB ASN 53 2.366 -10.535 -6.072 389 2HB ASN 53 2HB ASN 53 0.960 -11.149 -5.225 390 1HD2 ASN 53 1HD2 ASN 53 2.508 -12.231 -7.473 391 2HD2 ASN 53 2HD2 ASN 53 1.392 -12.524 -8.765 392 H GLU 54 H GLU 54 -0.473 -9.248 -3.644 393 HA GLU 54 HA GLU 54 -2.945 -10.128 -4.643 394 1HB GLU 54 1HB GLU 54 -2.106 -10.645 -2.356 395 2HB GLU 54 2HB GLU 54 -2.225 -8.951 -1.921 396 1HG GLU 54 1HG GLU 54 -4.441 -9.152 -1.474 397 2HG GLU 54 2HG GLU 54 -4.755 -9.820 -3.063 398 H VAL 55 H VAL 55 -1.935 -7.002 -3.066 399 HA VAL 55 HA VAL 55 -4.324 -5.675 -3.522 400 HB VAL 55 HB VAL 55 -3.190 -3.757 -2.858 401 1HG1 VAL 55 1HG1 VAL 55 -1.167 -5.450 -1.561 402 2HG1 VAL 55 2HG1 VAL 55 -2.472 -4.470 -0.851 403 3HG1 VAL 55 3HG1 VAL 55 -2.819 -6.106 -1.463 404 1HG2 VAL 55 1HG2 VAL 55 -0.590 -4.987 -3.837 405 2HG2 VAL 55 2HG2 VAL 55 -1.519 -3.714 -4.664 406 3HG2 VAL 55 3HG2 VAL 55 -0.777 -3.387 -3.080 407 H ASP 56 H ASP 56 -1.416 -6.127 -5.587 408 HA ASP 56 HA ASP 56 -1.897 -4.294 -7.497 409 1HB ASP 56 1HB ASP 56 0.075 -5.711 -7.556 410 2HB ASP 56 2HB ASP 56 -0.893 -7.163 -7.717 411 H ALA 57 H ALA 57 -3.899 -3.910 -8.480 412 HA ALA 57 HA ALA 57 -5.509 -6.253 -9.200 413 1HB ALA 57 1HB ALA 57 -7.016 -3.901 -9.540 414 2HB ALA 57 2HB ALA 57 -7.127 -5.058 -8.192 415 3HB ALA 57 3HB ALA 57 -6.069 -3.632 -8.057 416 H ASP 58 H ASP 58 -4.724 -2.916 -10.430 417 HA ASP 58 HA ASP 58 -5.582 -3.103 -12.912 418 1HB ASP 58 1HB ASP 58 -3.069 -1.977 -13.342 419 2HB ASP 58 2HB ASP 58 -4.495 -1.109 -12.810 420 H GLY 59 H GLY 59 -2.838 -4.839 -11.459 421 1HA GLY 59 1HA GLY 59 -2.115 -6.902 -12.345 422 2HA GLY 59 2HA GLY 59 -2.493 -6.347 -13.963 423 H ASP 60 H ASP 60 -0.014 -6.771 -11.646 424 HA ASP 60 HA ASP 60 2.007 -6.164 -13.306 425 1HB ASP 60 1HB ASP 60 2.778 -3.955 -12.003 426 2HB ASP 60 2HB ASP 60 1.783 -3.862 -13.442 427 H GLY 61 H GLY 61 1.361 -4.895 -9.944 428 1HA GLY 61 1HA GLY 61 1.972 -6.804 -8.265 429 2HA GLY 61 2HA GLY 61 3.571 -6.531 -8.930 430 H THR 62 H THR 62 3.470 -3.696 -9.371 431 HA THR 62 HA THR 62 4.143 -2.778 -6.806 432 HB THR 62 HB THR 62 3.448 -1.195 -9.335 433 HG1 THR 62 HG1 THR 62 5.433 -1.971 -10.016 434 1HG2 THR 62 1HG2 THR 62 5.782 -0.259 -7.973 435 2HG2 THR 62 2HG2 THR 62 4.224 0.587 -8.134 436 3HG2 THR 62 3HG2 THR 62 4.527 -0.458 -6.726 437 H ILE 63 H ILE 63 3.172 -1.094 -5.509 438 HA ILE 63 HA ILE 63 0.292 -1.447 -5.450 439 HB ILE 63 HB ILE 63 2.208 -0.162 -3.501 440 1HG1 ILE 63 1HG1 ILE 63 1.099 -2.936 -3.788 441 2HG1 ILE 63 2HG1 ILE 63 2.734 -2.420 -3.424 442 1HG2 ILE 63 1HG2 ILE 63 -0.743 -0.793 -3.213 443 2HG2 ILE 63 2HG2 ILE 63 0.332 -0.209 -1.920 444 3HG2 ILE 63 3HG2 ILE 63 -0.012 0.826 -3.326 445 1HD1 ILE 63 1HD1 ILE 63 1.736 -1.446 -1.215 446 2HD1 ILE 63 2HD1 ILE 63 0.322 -2.464 -1.582 447 3HD1 ILE 63 3HD1 ILE 63 1.919 -3.212 -1.343 448 H ASP 64 H ASP 64 -1.114 0.502 -5.065 449 HA ASP 64 HA ASP 64 0.034 2.905 -6.192 450 1HB ASP 64 1HB ASP 64 -2.561 1.624 -7.171 451 2HB ASP 64 2HB ASP 64 -1.955 3.185 -7.686 452 H PHE 65 H PHE 65 -2.300 4.474 -6.302 453 HA PHE 65 HA PHE 65 -2.843 4.860 -3.553 454 1HB PHE 65 1HB PHE 65 -2.982 6.247 -6.024 455 2HB PHE 65 2HB PHE 65 -4.667 6.071 -5.577 456 HD1 PHE 65 HD1 PHE 65 -4.536 6.324 -2.639 457 HD2 PHE 65 HD2 PHE 65 -2.501 8.491 -5.667 458 HE1 PHE 65 HE1 PHE 65 -4.333 8.292 -1.094 459 HE2 PHE 65 HE2 PHE 65 -2.297 10.459 -4.122 460 HZ PHE 65 HZ PHE 65 -3.216 10.336 -1.854 461 HA PRO 66 HA PRO 66 -7.087 3.170 -4.823 462 1HB PRO 66 1HB PRO 66 -7.384 1.899 -7.224 463 2HB PRO 66 2HB PRO 66 -7.782 3.588 -6.979 464 1HG PRO 66 1HG PRO 66 -5.447 2.415 -8.361 465 2HG PRO 66 2HG PRO 66 -6.080 4.045 -8.467 466 1HD PRO 66 1HD PRO 66 -3.763 3.197 -7.006 467 2HD PRO 66 2HD PRO 66 -4.463 4.803 -7.019 468 H GLU 67 H GLU 67 -4.345 1.318 -5.905 469 HA GLU 67 HA GLU 67 -5.528 -1.145 -5.259 470 1HB GLU 67 1HB GLU 67 -2.680 -0.238 -5.788 471 2HB GLU 67 2HB GLU 67 -3.025 -1.892 -5.322 472 1HG GLU 67 1HG GLU 67 -4.598 -2.115 -7.251 473 2HG GLU 67 2HG GLU 67 -4.277 -0.455 -7.712 474 H PHE 68 H PHE 68 -3.458 1.215 -3.513 475 HA PHE 68 HA PHE 68 -2.984 -0.473 -1.297 476 1HB PHE 68 1HB PHE 68 -1.522 1.424 -1.766 477 2HB PHE 68 2HB PHE 68 -2.880 2.519 -1.940 478 HD1 PHE 68 HD1 PHE 68 -0.337 1.419 0.222 479 HD2 PHE 68 HD2 PHE 68 -4.328 2.861 0.230 480 HE1 PHE 68 HE1 PHE 68 -0.078 2.122 2.618 481 HE2 PHE 68 HE2 PHE 68 -4.069 3.563 2.626 482 HZ PHE 68 HZ PHE 68 -1.948 3.185 3.791 483 H LEU 69 H LEU 69 -5.419 2.076 -2.071 484 HA LEU 69 HA LEU 69 -6.550 2.148 0.496 485 1HB LEU 69 1HB LEU 69 -7.949 3.674 -0.370 486 2HB LEU 69 2HB LEU 69 -6.726 3.710 -1.624 487 HG LEU 69 HG LEU 69 -8.201 1.949 -2.831 488 1HD1 LEU 69 1HD1 LEU 69 -9.683 2.126 -0.496 489 2HD1 LEU 69 2HD1 LEU 69 -10.616 3.092 -1.664 490 3HD1 LEU 69 3HD1 LEU 69 -10.207 1.400 -2.035 491 1HD2 LEU 69 1HD2 LEU 69 -7.816 4.427 -3.380 492 2HD2 LEU 69 2HD2 LEU 69 -9.256 3.634 -4.062 493 3HD2 LEU 69 3HD2 LEU 69 -9.415 4.703 -2.648 494 H THR 70 H THR 70 -7.292 0.237 -2.477 495 HA THR 70 HA THR 70 -9.564 -1.032 -1.405 496 HB THR 70 HB THR 70 -7.587 -1.737 -3.634 497 HG1 THR 70 HG1 THR 70 -9.013 0.257 -3.637 498 1HG2 THR 70 1HG2 THR 70 -9.158 -3.336 -4.450 499 2HG2 THR 70 2HG2 THR 70 -9.106 -3.683 -2.704 500 3HG2 THR 70 3HG2 THR 70 -10.451 -2.736 -3.384 501 H MET 71 H MET 71 -6.066 -1.735 -1.211 502 HA MET 71 HA MET 71 -6.264 -4.323 -0.329 503 1HB MET 71 1HB MET 71 -4.112 -3.341 -0.934 504 2HB MET 71 2HB MET 71 -4.287 -2.060 0.250 505 1HG MET 71 1HG MET 71 -2.707 -3.772 1.077 506 2HG MET 71 2HG MET 71 -4.129 -3.723 2.101 507 1HE MET 71 1HE MET 71 -4.262 -5.584 3.140 508 2HE MET 71 2HE MET 71 -5.768 -6.154 2.383 509 3HE MET 71 3HE MET 71 -4.382 -7.258 2.548 510 H MET 72 H MET 72 -5.866 -1.323 1.701 511 HA MET 72 HA MET 72 -6.135 -2.585 4.113 512 1HB MET 72 1HB MET 72 -6.469 0.196 3.023 513 2HB MET 72 2HB MET 72 -7.220 -0.082 4.581 514 1HG MET 72 1HG MET 72 -4.410 -1.101 4.241 515 2HG MET 72 2HG MET 72 -4.612 0.638 4.318 516 1HE MET 72 1HE MET 72 -5.147 -2.753 5.943 517 2HE MET 72 2HE MET 72 -3.587 -2.097 6.495 518 3HE MET 72 3HE MET 72 -4.901 -2.372 7.664 519 H ALA 73 H ALA 73 -8.699 -0.812 2.231 520 HA ALA 73 HA ALA 73 -10.804 -1.274 3.908 521 1HB ALA 73 1HB ALA 73 -10.962 -1.375 0.877 522 2HB ALA 73 2HB ALA 73 -12.182 -0.767 2.022 523 3HB ALA 73 3HB ALA 73 -10.665 0.131 1.778 524 H ARG 74 H ARG 74 -9.594 -3.377 1.209 525 HA ARG 74 HA ARG 74 -11.509 -5.328 1.565 526 1HB ARG 74 1HB ARG 74 -8.739 -5.252 0.336 527 2HB ARG 74 2HB ARG 74 -9.545 -6.800 0.494 528 1HG ARG 74 1HG ARG 74 -11.152 -4.537 -0.668 529 2HG ARG 74 2HG ARG 74 -9.876 -5.202 -1.669 530 1HD ARG 74 1HD ARG 74 -11.419 -7.350 -0.399 531 2HD ARG 74 2HD ARG 74 -12.476 -6.274 -1.292 532 HE ARG 74 HE ARG 74 -10.381 -8.010 -2.417 533 1HH1 ARG 74 2HH2 ARG 74 -12.502 -5.259 -2.978 534 2HH1 ARG 74 1HH2 ARG 74 -12.425 -5.388 -4.704 535 1HH2 ARG 74 2HH1 ARG 74 -10.279 -8.182 -4.693 536 2HH2 ARG 74 1HH1 ARG 74 -11.151 -7.062 -5.686 537 H LYS 75 H LYS 75 -8.307 -4.760 3.088 538 HA LYS 75 HA LYS 75 -8.038 -7.253 4.315 539 1HB LYS 75 1HB LYS 75 -6.414 -5.169 3.995 540 2HB LYS 75 2HB LYS 75 -6.971 -4.774 5.608 541 1HG LYS 75 1HG LYS 75 -5.862 -7.511 4.832 542 2HG LYS 75 2HG LYS 75 -4.885 -6.234 5.527 543 1HD LYS 75 1HD LYS 75 -5.496 -7.001 7.574 544 2HD LYS 75 2HD LYS 75 -7.100 -6.372 7.255 545 1HE LYS 75 1HE LYS 75 -7.977 -8.462 7.026 546 2HE LYS 75 2HE LYS 75 -6.719 -8.948 5.908 547 1HZ LYS 75 1HZ LYS 75 -6.516 -8.926 8.839 548 2HZ LYS 75 2HZ LYS 75 -6.580 -10.243 7.875 549 3HZ LYS 75 3HZ LYS 75 -5.271 -9.268 7.839 550 H MET 76 H MET 76 -9.135 -4.106 5.779 551 HA MET 76 HA MET 76 -10.003 -5.305 8.117 552 1HB MET 76 1HB MET 76 -10.953 -3.125 8.594 553 2HB MET 76 2HB MET 76 -9.544 -2.811 7.601 554 1HG MET 76 1HG MET 76 -10.856 -1.746 6.086 555 2HG MET 76 2HG MET 76 -11.719 -3.242 5.787 556 1HE MET 76 1HE MET 76 -14.566 -1.352 5.787 557 2HE MET 76 2HE MET 76 -13.646 -2.803 5.322 558 3HE MET 76 3HE MET 76 -14.873 -2.901 6.608 559 H LYS 77 H LYS 77 -11.412 -5.196 4.924 560 HA LYS 77 HA LYS 77 -14.120 -5.332 5.619 561 1HB LYS 77 1HB LYS 77 -13.431 -4.742 3.389 562 2HB LYS 77 2HB LYS 77 -12.589 -6.263 3.178 563 1HG LYS 77 1HG LYS 77 -14.918 -7.378 3.661 564 2HG LYS 77 2HG LYS 77 -15.585 -5.788 3.350 565 1HD LYS 77 1HD LYS 77 -13.607 -6.763 1.329 566 2HD LYS 77 2HD LYS 77 -15.113 -7.657 1.396 567 1HE LYS 77 1HE LYS 77 -15.753 -4.843 1.532 568 2HE LYS 77 2HE LYS 77 -14.626 -5.073 0.210 569 1HZ LYS 77 1HZ LYS 77 -17.195 -5.492 -0.028 570 2HZ LYS 77 2HZ LYS 77 -16.097 -6.315 -0.913 571 3HZ LYS 77 3HZ LYS 77 -16.758 -7.002 0.413 572 H ASP 78 H ASP 78 -11.819 -7.985 4.667 573 HA ASP 78 HA ASP 78 -13.433 -10.074 5.051 574 1HB ASP 78 1HB ASP 78 -10.602 -9.593 4.950 575 2HB ASP 78 2HB ASP 78 -10.879 -10.690 6.288 576 H THR 79 H THR 79 -11.147 -8.727 7.564 577 HA THR 79 HA THR 79 -12.187 -10.236 9.686 578 HB THR 79 HB THR 79 -9.920 -9.039 9.477 579 HG1 THR 79 HG1 THR 79 -11.124 -9.842 11.492 580 1HG2 THR 79 1HG2 THR 79 -11.080 -6.763 8.872 581 2HG2 THR 79 2HG2 THR 79 -11.456 -6.663 10.609 582 3HG2 THR 79 3HG2 THR 79 -9.761 -6.724 10.067 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -19.324 2.061 4.607 2 HA ALA 1 HA ALA 1 -20.274 0.040 2.698 3 1HB ALA 1 1HB ALA 1 -22.430 1.712 3.068 4 2HB ALA 1 2HB ALA 1 -22.213 0.138 3.872 5 3HB ALA 1 3HB ALA 1 -21.742 1.637 4.708 6 H ASP 2 H ASP 2 -18.325 1.216 1.592 7 HA ASP 2 HA ASP 2 -17.767 2.416 -0.139 8 1HB ASP 2 1HB ASP 2 -20.524 3.726 -0.039 9 2HB ASP 2 2HB ASP 2 -19.402 3.795 -1.384 10 H GLN 3 H GLN 3 -19.998 4.340 2.014 11 HA GLN 3 HA GLN 3 -18.695 6.744 1.713 12 1HB GLN 3 1HB GLN 3 -20.380 5.629 3.990 13 2HB GLN 3 2HB GLN 3 -19.819 7.289 3.962 14 1HG GLN 3 1HG GLN 3 -20.935 6.772 1.375 15 2HG GLN 3 2HG GLN 3 -22.060 6.102 2.541 16 1HE2 GLN 3 1HE2 GLN 3 -22.502 8.335 0.856 17 2HE2 GLN 3 2HE2 GLN 3 -22.763 9.739 1.837 18 H LEU 4 H LEU 4 -17.784 3.861 3.460 19 HA LEU 4 HA LEU 4 -16.277 4.947 5.519 20 1HB LEU 4 1HB LEU 4 -15.846 2.825 5.964 21 2HB LEU 4 2HB LEU 4 -16.944 2.456 4.649 22 HG LEU 4 HG LEU 4 -14.820 2.560 3.144 23 1HD1 LEU 4 1HD1 LEU 4 -12.795 1.724 4.474 24 2HD1 LEU 4 2HD1 LEU 4 -13.181 3.459 4.552 25 3HD1 LEU 4 3HD1 LEU 4 -13.620 2.389 5.905 26 1HD2 LEU 4 1HD2 LEU 4 -14.356 0.126 4.516 27 2HD2 LEU 4 2HD2 LEU 4 -16.097 0.476 4.639 28 3HD2 LEU 4 3HD2 LEU 4 -15.314 0.402 3.042 29 H THR 5 H THR 5 -15.461 4.281 2.071 30 HA THR 5 HA THR 5 -12.740 4.894 2.264 31 HB THR 5 HB THR 5 -14.330 3.838 0.366 32 HG1 THR 5 HG1 THR 5 -12.268 3.811 -0.434 33 1HG2 THR 5 1HG2 THR 5 -14.275 5.570 -1.560 34 2HG2 THR 5 2HG2 THR 5 -15.558 5.800 -0.347 35 3HG2 THR 5 3HG2 THR 5 -14.095 6.812 -0.298 36 H GLU 6 H GLU 6 -15.544 6.930 2.523 37 HA GLU 6 HA GLU 6 -14.511 9.260 1.477 38 1HB GLU 6 1HB GLU 6 -16.904 8.783 2.220 39 2HB GLU 6 2HB GLU 6 -16.381 9.036 3.873 40 1HG GLU 6 1HG GLU 6 -15.934 11.337 3.528 41 2HG GLU 6 2HG GLU 6 -15.762 11.149 1.794 42 H GLU 7 H GLU 7 -14.642 8.225 4.969 43 HA GLU 7 HA GLU 7 -12.923 10.310 5.740 44 1HB GLU 7 1HB GLU 7 -12.927 9.149 7.950 45 2HB GLU 7 2HB GLU 7 -14.543 9.375 7.310 46 1HG GLU 7 1HG GLU 7 -14.878 7.111 6.954 47 2HG GLU 7 2HG GLU 7 -13.203 6.817 6.529 48 H GLN 8 H GLN 8 -12.484 7.010 4.561 49 HA GLN 8 HA GLN 8 -9.897 6.675 5.606 50 1HB GLN 8 1HB GLN 8 -11.772 5.197 3.921 51 2HB GLN 8 2HB GLN 8 -10.144 5.068 3.286 52 1HG GLN 8 1HG GLN 8 -10.875 3.324 5.069 53 2HG GLN 8 2HG GLN 8 -9.302 4.071 5.267 54 1HE2 GLN 8 1HE2 GLN 8 -12.632 4.002 6.338 55 2HE2 GLN 8 2HE2 GLN 8 -12.418 4.799 7.860 56 H ILE 9 H ILE 9 -11.075 7.309 2.216 57 HA ILE 9 HA ILE 9 -8.603 7.732 1.091 58 HB ILE 9 HB ILE 9 -9.773 8.817 -0.694 59 1HG1 ILE 9 1HG1 ILE 9 -12.440 8.993 -0.055 60 2HG1 ILE 9 2HG1 ILE 9 -11.685 9.530 1.433 61 1HG2 ILE 9 1HG2 ILE 9 -11.948 7.066 -0.413 62 2HG2 ILE 9 2HG2 ILE 9 -10.400 6.759 -1.234 63 3HG2 ILE 9 3HG2 ILE 9 -10.604 6.311 0.476 64 1HD1 ILE 9 1HD1 ILE 9 -10.908 11.464 0.492 65 2HD1 ILE 9 2HD1 ILE 9 -10.430 10.649 -1.016 66 3HD1 ILE 9 3HD1 ILE 9 -12.124 11.136 -0.766 67 H ALA 10 H ALA 10 -10.352 9.660 3.410 68 HA ALA 10 HA ALA 10 -9.246 12.168 2.745 69 1HB ALA 10 1HB ALA 10 -10.183 11.198 5.469 70 2HB ALA 10 2HB ALA 10 -10.169 12.866 4.848 71 3HB ALA 10 3HB ALA 10 -11.297 11.671 4.164 72 H GLU 11 H GLU 11 -8.453 9.847 5.437 73 HA GLU 11 HA GLU 11 -6.061 11.226 5.992 74 1HB GLU 11 1HB GLU 11 -7.482 8.804 7.000 75 2HB GLU 11 2HB GLU 11 -5.744 8.795 7.225 76 1HG GLU 11 1HG GLU 11 -5.817 10.928 8.425 77 2HG GLU 11 2HG GLU 11 -7.512 11.147 8.038 78 H PHE 12 H PHE 12 -6.922 8.197 4.229 79 HA PHE 12 HA PHE 12 -4.447 7.154 3.812 80 1HB PHE 12 1HB PHE 12 -7.057 7.385 2.274 81 2HB PHE 12 2HB PHE 12 -5.695 6.686 1.421 82 HD1 PHE 12 HD1 PHE 12 -6.760 6.329 4.980 83 HD2 PHE 12 HD2 PHE 12 -6.113 4.418 1.247 84 HE1 PHE 12 HE1 PHE 12 -7.240 4.103 6.036 85 HE2 PHE 12 HE2 PHE 12 -6.594 2.192 2.303 86 HZ PHE 12 HZ PHE 12 -7.152 2.061 4.685 87 H LYS 13 H LYS 13 -5.990 9.956 2.189 88 HA LYS 13 HA LYS 13 -4.370 10.215 0.005 89 1HB LYS 13 1HB LYS 13 -6.384 11.665 1.165 90 2HB LYS 13 2HB LYS 13 -5.020 12.740 1.392 91 1HG LYS 13 1HG LYS 13 -4.467 12.541 -1.048 92 2HG LYS 13 2HG LYS 13 -5.850 11.487 -1.269 93 1HD LYS 13 1HD LYS 13 -6.906 13.738 0.074 94 2HD LYS 13 2HD LYS 13 -5.761 14.418 -1.066 95 1HE LYS 13 1HE LYS 13 -7.231 12.327 -2.419 96 2HE LYS 13 2HE LYS 13 -8.387 13.358 -1.600 97 1HZ LYS 13 1HZ LYS 13 -7.070 15.243 -2.612 98 2HZ LYS 13 2HZ LYS 13 -6.394 14.128 -3.594 99 3HZ LYS 13 3HZ LYS 13 -8.009 14.370 -3.623 100 H GLU 14 H GLU 14 -3.838 11.803 3.236 101 HA GLU 14 HA GLU 14 -1.229 12.554 2.496 102 1HB GLU 14 1HB GLU 14 -2.997 12.808 4.866 103 2HB GLU 14 2HB GLU 14 -1.291 12.727 5.261 104 1HG GLU 14 1HG GLU 14 -0.903 14.821 4.457 105 2HG GLU 14 2HG GLU 14 -1.743 14.484 2.956 106 H ALA 15 H ALA 15 -2.699 9.784 4.200 107 HA ALA 15 HA ALA 15 -0.448 8.766 5.443 108 1HB ALA 15 1HB ALA 15 -1.818 6.996 5.897 109 2HB ALA 15 2HB ALA 15 -3.073 8.085 5.259 110 3HB ALA 15 3HB ALA 15 -2.356 6.841 4.207 111 H PHE 16 H PHE 16 -1.824 7.829 2.204 112 HA PHE 16 HA PHE 16 0.058 6.115 1.377 113 1HB PHE 16 1HB PHE 16 -2.060 7.513 0.295 114 2HB PHE 16 2HB PHE 16 -0.744 8.344 -0.510 115 HD1 PHE 16 HD1 PHE 16 -0.959 7.635 -2.725 116 HD2 PHE 16 HD2 PHE 16 -0.951 4.739 0.377 117 HE1 PHE 16 HE1 PHE 16 -0.850 5.803 -4.437 118 HE2 PHE 16 HE2 PHE 16 -0.842 2.906 -1.335 119 HZ PHE 16 HZ PHE 16 -0.792 3.460 -3.721 120 H SER 17 H SER 17 0.313 9.717 1.355 121 HA SER 17 HA SER 17 2.479 10.107 -0.126 122 1HB SER 17 1HB SER 17 2.109 11.371 2.624 123 2HB SER 17 2HB SER 17 2.965 12.067 1.262 124 HG SER 17 HG SER 17 1.105 12.669 0.337 125 H LEU 18 H LEU 18 2.391 8.807 3.234 126 HA LEU 18 HA LEU 18 5.211 8.769 3.527 127 1HB LEU 18 1HB LEU 18 2.836 7.826 5.030 128 2HB LEU 18 2HB LEU 18 4.343 6.990 5.348 129 HG LEU 18 HG LEU 18 3.869 9.971 5.627 130 1HD1 LEU 18 1HD1 LEU 18 4.666 8.703 8.058 131 2HD1 LEU 18 2HD1 LEU 18 3.151 9.560 7.682 132 3HD1 LEU 18 3HD1 LEU 18 3.284 7.811 7.379 133 1HD2 LEU 18 1HD2 LEU 18 6.206 9.454 6.939 134 2HD2 LEU 18 2HD2 LEU 18 6.335 8.366 5.536 135 3HD2 LEU 18 3HD2 LEU 18 6.081 10.110 5.289 136 H PHE 19 H PHE 19 2.707 6.336 2.592 137 HA PHE 19 HA PHE 19 4.426 4.169 2.415 138 1HB PHE 19 1HB PHE 19 1.875 5.052 0.951 139 2HB PHE 19 2HB PHE 19 2.563 3.460 0.698 140 HD1 PHE 19 HD1 PHE 19 0.979 5.668 3.187 141 HD2 PHE 19 HD2 PHE 19 2.288 1.727 2.316 142 HE1 PHE 19 HE1 PHE 19 -0.273 4.810 5.187 143 HE2 PHE 19 HE2 PHE 19 1.037 0.869 4.316 144 HZ PHE 19 HZ PHE 19 -0.229 2.421 5.727 145 H ASP 20 H ASP 20 3.646 6.785 0.078 146 HA ASP 20 HA ASP 20 5.068 5.484 -2.007 147 1HB ASP 20 1HB ASP 20 3.131 7.412 -1.936 148 2HB ASP 20 2HB ASP 20 4.542 8.436 -2.108 149 H LYS 21 H LYS 21 7.305 5.288 -1.574 150 HA LYS 21 HA LYS 21 8.702 7.379 -0.206 151 1HB LYS 21 1HB LYS 21 9.906 4.987 -1.609 152 2HB LYS 21 2HB LYS 21 10.581 5.921 -0.290 153 1HG LYS 21 1HG LYS 21 8.026 4.254 -0.111 154 2HG LYS 21 2HG LYS 21 9.597 3.737 0.468 155 1HD LYS 21 1HD LYS 21 9.669 5.545 2.114 156 2HD LYS 21 2HD LYS 21 8.233 6.288 1.439 157 1HE LYS 21 1HE LYS 21 6.881 4.290 2.076 158 2HE LYS 21 2HE LYS 21 8.315 3.513 2.718 159 1HZ LYS 21 1HZ LYS 21 8.101 4.661 4.570 160 2HZ LYS 21 2HZ LYS 21 8.013 6.095 3.794 161 3HZ LYS 21 3HZ LYS 21 6.658 5.218 4.044 162 H ASP 22 H ASP 22 8.922 5.911 -3.527 163 HA ASP 22 HA ASP 22 10.735 7.520 -4.606 164 1HB ASP 22 1HB ASP 22 8.199 6.285 -5.670 165 2HB ASP 22 2HB ASP 22 9.050 7.404 -6.717 166 H GLY 23 H GLY 23 7.174 8.174 -4.268 167 1HA GLY 23 1HA GLY 23 6.170 10.196 -3.869 168 2HA GLY 23 2HA GLY 23 7.681 11.031 -4.174 169 H ASP 24 H ASP 24 6.345 8.554 -6.386 170 HA ASP 24 HA ASP 24 6.110 10.666 -8.361 171 1HB ASP 24 1HB ASP 24 6.203 8.848 -10.024 172 2HB ASP 24 2HB ASP 24 7.562 8.735 -8.923 173 H GLY 25 H GLY 25 4.402 8.035 -6.633 174 1HA GLY 25 1HA GLY 25 1.959 8.765 -6.383 175 2HA GLY 25 2HA GLY 25 1.926 8.603 -8.128 176 H THR 26 H THR 26 4.081 6.332 -7.767 177 HA THR 26 HA THR 26 2.087 4.246 -7.213 178 HB THR 26 HB THR 26 4.689 4.236 -8.832 179 HG1 THR 26 HG1 THR 26 1.866 3.971 -9.563 180 1HG2 THR 26 1HG2 THR 26 4.376 1.946 -8.322 181 2HG2 THR 26 2HG2 THR 26 2.612 2.126 -8.167 182 3HG2 THR 26 3HG2 THR 26 3.368 2.126 -9.778 183 H ILE 27 H ILE 27 2.527 2.506 -5.839 184 HA ILE 27 HA ILE 27 4.773 3.045 -4.028 185 HB ILE 27 HB ILE 27 1.988 2.058 -3.623 186 1HG1 ILE 27 1HG1 ILE 27 2.164 3.539 -1.634 187 2HG1 ILE 27 2HG1 ILE 27 3.809 3.938 -2.090 188 1HG2 ILE 27 1HG2 ILE 27 2.815 1.320 -1.285 189 2HG2 ILE 27 2HG2 ILE 27 3.011 0.208 -2.660 190 3HG2 ILE 27 3HG2 ILE 27 4.402 1.150 -2.073 191 1HD1 ILE 27 1HD1 ILE 27 1.954 5.568 -2.856 192 2HD1 ILE 27 2HD1 ILE 27 3.117 5.041 -4.097 193 3HD1 ILE 27 3HD1 ILE 27 1.495 4.311 -4.029 194 H THR 28 H THR 28 6.386 1.927 -5.187 195 HA THR 28 HA THR 28 6.007 -0.623 -6.293 196 HB THR 28 HB THR 28 8.412 1.027 -5.393 197 HG1 THR 28 HG1 THR 28 7.426 0.022 -7.962 198 1HG2 THR 28 1HG2 THR 28 9.489 -1.059 -5.404 199 2HG2 THR 28 2HG2 THR 28 8.267 -1.794 -6.470 200 3HG2 THR 28 3HG2 THR 28 9.501 -0.705 -7.149 201 H THR 29 H THR 29 6.641 -2.712 -5.599 202 HA THR 29 HA THR 29 5.757 -3.555 -3.221 203 HB THR 29 HB THR 29 7.153 -5.546 -3.626 204 HG1 THR 29 HG1 THR 29 8.565 -3.514 -5.191 205 1HG2 THR 29 1HG2 THR 29 5.421 -4.656 -5.505 206 2HG2 THR 29 2HG2 THR 29 6.927 -4.472 -6.437 207 3HG2 THR 29 3HG2 THR 29 6.463 -6.069 -5.802 208 H LYS 30 H LYS 30 8.928 -2.013 -3.809 209 HA LYS 30 HA LYS 30 9.932 -2.600 -1.232 210 1HB LYS 30 1HB LYS 30 10.716 -0.570 -3.339 211 2HB LYS 30 2HB LYS 30 11.593 -0.789 -1.838 212 1HG LYS 30 1HG LYS 30 12.013 -3.168 -2.388 213 2HG LYS 30 2HG LYS 30 11.047 -3.029 -3.844 214 1HD LYS 30 1HD LYS 30 12.902 -2.376 -4.970 215 2HD LYS 30 2HD LYS 30 12.940 -0.913 -4.005 216 1HE LYS 30 1HE LYS 30 14.478 -1.820 -2.441 217 2HE LYS 30 2HE LYS 30 14.080 -3.476 -2.855 218 1HZ LYS 30 1HZ LYS 30 15.282 -3.333 -4.802 219 2HZ LYS 30 2HZ LYS 30 15.291 -1.700 -4.835 220 3HZ LYS 30 3HZ LYS 30 16.215 -2.500 -3.753 221 H GLU 31 H GLU 31 8.418 0.351 -2.706 222 HA GLU 31 HA GLU 31 8.550 1.985 -0.578 223 1HB GLU 31 1HB GLU 31 6.363 1.627 -2.658 224 2HB GLU 31 2HB GLU 31 6.303 2.921 -1.478 225 1HG GLU 31 1HG GLU 31 8.437 3.831 -2.263 226 2HG GLU 31 2HG GLU 31 8.704 2.445 -3.301 227 H LEU 32 H LEU 32 6.469 -0.859 -1.026 228 HA LEU 32 HA LEU 32 4.681 -0.223 1.083 229 1HB LEU 32 1HB LEU 32 4.225 -1.718 -0.869 230 2HB LEU 32 2HB LEU 32 5.298 -2.907 -0.156 231 HG LEU 32 HG LEU 32 2.697 -1.884 1.012 232 1HD1 LEU 32 1HD1 LEU 32 1.743 -3.516 -0.144 233 2HD1 LEU 32 2HD1 LEU 32 3.321 -4.020 -0.795 234 3HD1 LEU 32 3HD1 LEU 32 2.734 -4.701 0.741 235 1HD2 LEU 32 1HD2 LEU 32 4.865 -3.590 2.206 236 2HD2 LEU 32 2HD2 LEU 32 3.965 -2.232 2.922 237 3HD2 LEU 32 3HD2 LEU 32 3.166 -3.805 2.690 238 H GLY 33 H GLY 33 7.539 -2.438 0.775 239 1HA GLY 33 1HA GLY 33 7.501 -3.177 3.524 240 2HA GLY 33 2HA GLY 33 8.781 -3.457 2.360 241 H THR 34 H THR 34 8.617 -0.358 1.761 242 HA THR 34 HA THR 34 10.757 0.332 3.493 243 HB THR 34 HB THR 34 9.029 2.023 1.608 244 HG1 THR 34 HG1 THR 34 11.617 0.676 1.309 245 1HG2 THR 34 1HG2 THR 34 10.397 3.712 2.356 246 2HG2 THR 34 2HG2 THR 34 11.442 2.573 3.240 247 3HG2 THR 34 3HG2 THR 34 11.701 2.854 1.501 248 H VAL 35 H VAL 35 7.291 1.357 3.306 249 HA VAL 35 HA VAL 35 7.550 3.022 5.592 250 HB VAL 35 HB VAL 35 5.916 3.236 3.684 251 1HG1 VAL 35 1HG1 VAL 35 5.215 0.867 3.603 252 2HG1 VAL 35 2HG1 VAL 35 4.430 1.057 5.190 253 3HG1 VAL 35 3HG1 VAL 35 3.832 1.973 3.786 254 1HG2 VAL 35 1HG2 VAL 35 4.999 3.301 6.569 255 2HG2 VAL 35 2HG2 VAL 35 5.597 4.644 5.564 256 3HG2 VAL 35 3HG2 VAL 35 4.005 3.921 5.228 257 H MET 36 H MET 36 6.081 -0.241 4.979 258 HA MET 36 HA MET 36 5.092 -0.805 7.373 259 1HB MET 36 1HB MET 36 6.790 -2.546 5.511 260 2HB MET 36 2HB MET 36 5.928 -3.225 6.877 261 1HG MET 36 1HG MET 36 4.509 -1.536 4.773 262 2HG MET 36 2HG MET 36 4.725 -3.263 4.573 263 1HE MET 36 1HE MET 36 4.061 -4.979 6.058 264 2HE MET 36 2HE MET 36 2.597 -4.954 7.070 265 3HE MET 36 3HE MET 36 2.464 -4.752 5.306 266 H ARG 37 H ARG 37 8.545 -1.543 6.471 267 HA ARG 37 HA ARG 37 9.267 -2.322 9.004 268 1HB ARG 37 1HB ARG 37 11.634 -1.859 8.191 269 2HB ARG 37 2HB ARG 37 10.684 -2.847 7.099 270 1HG ARG 37 1HG ARG 37 11.398 -1.337 5.523 271 2HG ARG 37 2HG ARG 37 10.053 -0.381 6.114 272 1HD ARG 37 1HD ARG 37 11.434 1.052 7.373 273 2HD ARG 37 2HD ARG 37 12.700 -0.146 7.552 274 HE ARG 37 HE ARG 37 12.605 0.337 4.805 275 1HH1 ARG 37 2HH2 ARG 37 13.069 2.324 7.672 276 2HH1 ARG 37 1HH2 ARG 37 14.056 3.492 6.858 277 1HH2 ARG 37 2HH1 ARG 37 13.906 1.878 3.731 278 2HH2 ARG 37 1HH1 ARG 37 14.535 3.237 4.602 279 H SER 38 H SER 38 9.037 0.891 7.465 280 HA SER 38 HA SER 38 10.606 2.297 9.243 281 1HB SER 38 1HB SER 38 9.498 3.017 6.992 282 2HB SER 38 2HB SER 38 8.094 3.422 7.959 283 HG SER 38 HG SER 38 9.059 5.231 8.548 284 H LEU 39 H LEU 39 7.444 0.825 9.581 285 HA LEU 39 HA LEU 39 6.760 2.486 11.861 286 1HB LEU 39 1HB LEU 39 5.329 0.286 10.376 287 2HB LEU 39 2HB LEU 39 4.714 0.993 11.857 288 HG LEU 39 HG LEU 39 5.417 2.897 9.682 289 1HD1 LEU 39 1HD1 LEU 39 3.044 1.024 9.492 290 2HD1 LEU 39 2HD1 LEU 39 3.244 2.515 8.541 291 3HD1 LEU 39 3HD1 LEU 39 4.398 1.174 8.346 292 1HD2 LEU 39 1HD2 LEU 39 3.359 2.664 11.857 293 2HD2 LEU 39 2HD2 LEU 39 4.532 3.963 11.533 294 3HD2 LEU 39 3HD2 LEU 39 3.103 3.773 10.489 295 H GLY 40 H GLY 40 9.206 1.141 12.198 296 1HA GLY 40 1HA GLY 40 10.136 0.106 14.014 297 2HA GLY 40 2HA GLY 40 8.559 -0.460 14.525 298 H GLN 41 H GLN 41 7.563 -1.891 12.389 299 HA GLN 41 HA GLN 41 8.763 -4.302 12.650 300 1HB GLN 41 1HB GLN 41 7.033 -3.168 10.420 301 2HB GLN 41 2HB GLN 41 7.526 -4.849 10.440 302 1HG GLN 41 1HG GLN 41 5.877 -3.394 12.554 303 2HG GLN 41 2HG GLN 41 5.337 -4.686 11.500 304 1HE2 GLN 41 1HE2 GLN 41 5.411 -4.453 14.429 305 2HE2 GLN 41 2HE2 GLN 41 6.294 -5.819 15.024 306 H ASN 42 H ASN 42 9.434 -5.573 10.360 307 HA ASN 42 HA ASN 42 11.142 -4.023 8.736 308 1HB ASN 42 1HB ASN 42 12.393 -4.569 11.052 309 2HB ASN 42 2HB ASN 42 12.623 -6.144 10.320 310 1HD2 ASN 42 1HD2 ASN 42 12.916 -2.672 9.614 311 2HD2 ASN 42 2HD2 ASN 42 14.361 -2.758 8.663 312 HA PRO 43 HA PRO 43 9.629 -8.173 7.365 313 1HB PRO 43 1HB PRO 43 7.785 -7.380 5.510 314 2HB PRO 43 2HB PRO 43 7.366 -7.800 7.159 315 1HG PRO 43 1HG PRO 43 7.537 -5.124 5.913 316 2HG PRO 43 2HG PRO 43 6.728 -5.596 7.395 317 1HD PRO 43 1HD PRO 43 9.235 -4.220 7.171 318 2HD PRO 43 2HD PRO 43 8.483 -4.794 8.646 319 H THR 44 H THR 44 9.569 -9.167 5.075 320 HA THR 44 HA THR 44 11.772 -7.831 3.654 321 HB THR 44 HB THR 44 11.868 -10.316 2.687 322 HG1 THR 44 HG1 THR 44 10.258 -11.449 3.704 323 1HG2 THR 44 1HG2 THR 44 13.224 -11.069 4.628 324 2HG2 THR 44 2HG2 THR 44 13.610 -9.374 4.244 325 3HG2 THR 44 3HG2 THR 44 12.549 -9.756 5.622 326 H GLU 45 H GLU 45 11.674 -7.416 1.456 327 HA GLU 45 HA GLU 45 9.180 -6.778 0.488 328 1HB GLU 45 1HB GLU 45 10.332 -6.338 -1.644 329 2HB GLU 45 2HB GLU 45 11.288 -5.747 -0.300 330 1HG GLU 45 1HG GLU 45 13.022 -6.966 -1.110 331 2HG GLU 45 2HG GLU 45 12.159 -8.404 -0.602 332 H ALA 46 H ALA 46 10.821 -9.838 0.643 333 HA ALA 46 HA ALA 46 9.701 -11.054 -1.637 334 1HB ALA 46 1HB ALA 46 10.153 -13.087 0.171 335 2HB ALA 46 2HB ALA 46 11.385 -12.383 -0.905 336 3HB ALA 46 3HB ALA 46 11.235 -11.808 0.773 337 H GLU 47 H GLU 47 8.823 -11.324 1.887 338 HA GLU 47 HA GLU 47 6.545 -12.774 1.482 339 1HB GLU 47 1HB GLU 47 7.481 -10.892 3.651 340 2HB GLU 47 2HB GLU 47 5.849 -11.526 3.730 341 1HG GLU 47 1HG GLU 47 7.510 -13.755 3.089 342 2HG GLU 47 2HG GLU 47 8.368 -12.869 4.334 343 H LEU 48 H LEU 48 7.065 -9.212 1.418 344 HA LEU 48 HA LEU 48 4.304 -8.604 1.182 345 1HB LEU 48 1HB LEU 48 6.871 -7.085 0.834 346 2HB LEU 48 2HB LEU 48 5.339 -6.368 0.376 347 HG LEU 48 HG LEU 48 5.995 -5.655 2.600 348 1HD1 LEU 48 1HD1 LEU 48 3.950 -6.117 3.790 349 2HD1 LEU 48 2HD1 LEU 48 3.590 -5.936 2.057 350 3HD1 LEU 48 3HD1 LEU 48 3.644 -7.557 2.790 351 1HD2 LEU 48 1HD2 LEU 48 6.059 -7.292 4.483 352 2HD2 LEU 48 2HD2 LEU 48 6.020 -8.605 3.282 353 3HD2 LEU 48 3HD2 LEU 48 7.389 -7.469 3.314 354 H GLN 49 H GLN 49 6.814 -9.710 -1.002 355 HA GLN 49 HA GLN 49 5.935 -8.633 -3.356 356 1HB GLN 49 1HB GLN 49 8.032 -10.049 -2.876 357 2HB GLN 49 2HB GLN 49 7.014 -11.464 -3.057 358 1HG GLN 49 1HG GLN 49 6.410 -10.782 -5.359 359 2HG GLN 49 2HG GLN 49 7.313 -9.291 -5.184 360 1HE2 GLN 49 1HE2 GLN 49 8.298 -10.213 -7.167 361 2HE2 GLN 49 2HE2 GLN 49 9.686 -11.237 -7.008 362 H ASP 50 H ASP 50 4.692 -11.399 -1.458 363 HA ASP 50 HA ASP 50 3.043 -12.371 -3.504 364 1HB ASP 50 1HB ASP 50 3.804 -13.624 -1.425 365 2HB ASP 50 2HB ASP 50 2.706 -12.639 -0.480 366 H MET 51 H MET 51 2.798 -9.897 -0.940 367 HA MET 51 HA MET 51 -0.001 -9.674 -1.015 368 1HB MET 51 1HB MET 51 2.267 -7.846 -0.070 369 2HB MET 51 2HB MET 51 0.583 -7.404 0.130 370 1HG MET 51 1HG MET 51 0.957 -10.133 1.063 371 2HG MET 51 2HG MET 51 2.160 -9.105 1.816 372 1HE MET 51 1HE MET 51 -1.080 -10.399 1.515 373 2HE MET 51 2HE MET 51 -2.040 -9.694 2.838 374 3HE MET 51 3HE MET 51 -2.058 -8.940 1.225 375 H ILE 52 H ILE 52 2.635 -7.498 -2.276 376 HA ILE 52 HA ILE 52 1.054 -5.691 -3.566 377 HB ILE 52 HB ILE 52 2.998 -5.251 -4.982 378 1HG1 ILE 52 1HG1 ILE 52 5.071 -6.773 -4.272 379 2HG1 ILE 52 2HG1 ILE 52 3.813 -7.973 -4.050 380 1HG2 ILE 52 1HG2 ILE 52 4.690 -5.208 -2.916 381 2HG2 ILE 52 2HG2 ILE 52 3.299 -4.105 -3.046 382 3HG2 ILE 52 3HG2 ILE 52 3.189 -5.562 -2.029 383 1HD1 ILE 52 1HD1 ILE 52 4.709 -6.599 -6.573 384 2HD1 ILE 52 2HD1 ILE 52 4.277 -8.304 -6.303 385 3HD1 ILE 52 3HD1 ILE 52 2.999 -7.074 -6.444 386 H ASN 53 H ASN 53 2.246 -8.882 -4.778 387 HA ASN 53 HA ASN 53 1.265 -8.643 -7.321 388 1HB ASN 53 1HB ASN 53 2.192 -10.795 -5.537 389 2HB ASN 53 2HB ASN 53 0.911 -11.367 -6.588 390 1HD2 ASN 53 1HD2 ASN 53 3.851 -11.852 -6.472 391 2HD2 ASN 53 2HD2 ASN 53 4.457 -11.544 -8.065 392 H GLU 54 H GLU 54 -0.285 -9.531 -4.212 393 HA GLU 54 HA GLU 54 -2.643 -10.528 -5.373 394 1HB GLU 54 1HB GLU 54 -1.957 -11.178 -3.111 395 2HB GLU 54 2HB GLU 54 -2.027 -9.515 -2.564 396 1HG GLU 54 1HG GLU 54 -4.139 -10.101 -1.878 397 2HG GLU 54 2HG GLU 54 -4.562 -9.752 -3.543 398 H VAL 55 H VAL 55 -1.938 -7.445 -3.564 399 HA VAL 55 HA VAL 55 -4.396 -6.264 -4.105 400 HB VAL 55 HB VAL 55 -3.418 -4.277 -3.295 401 1HG1 VAL 55 1HG1 VAL 55 -3.548 -6.293 -1.735 402 2HG1 VAL 55 2HG1 VAL 55 -1.786 -6.439 -1.942 403 3HG1 VAL 55 3HG1 VAL 55 -2.479 -4.962 -1.230 404 1HG2 VAL 55 1HG2 VAL 55 -1.073 -5.196 -4.719 405 2HG2 VAL 55 2HG2 VAL 55 -1.468 -3.568 -4.116 406 3HG2 VAL 55 3HG2 VAL 55 -0.649 -4.737 -3.052 407 H ASP 56 H ASP 56 -1.493 -6.707 -6.075 408 HA ASP 56 HA ASP 56 -1.951 -4.648 -7.869 409 1HB ASP 56 1HB ASP 56 0.175 -5.885 -7.762 410 2HB ASP 56 2HB ASP 56 -0.626 -7.377 -8.213 411 H ALA 57 H ALA 57 -3.888 -4.449 -9.019 412 HA ALA 57 HA ALA 57 -5.175 -6.920 -9.924 413 1HB ALA 57 1HB ALA 57 -6.133 -4.102 -9.357 414 2HB ALA 57 2HB ALA 57 -7.106 -5.240 -10.320 415 3HB ALA 57 3HB ALA 57 -6.684 -5.634 -8.636 416 H ASP 58 H ASP 58 -4.299 -3.568 -11.018 417 HA ASP 58 HA ASP 58 -4.995 -3.634 -13.553 418 1HB ASP 58 1HB ASP 58 -2.598 -2.500 -13.946 419 2HB ASP 58 2HB ASP 58 -3.853 -1.689 -13.031 420 H GLY 59 H GLY 59 -2.423 -5.540 -11.990 421 1HA GLY 59 1HA GLY 59 -1.574 -7.533 -12.784 422 2HA GLY 59 2HA GLY 59 -2.132 -7.152 -14.401 423 H ASP 60 H ASP 60 0.485 -6.832 -12.058 424 HA ASP 60 HA ASP 60 2.357 -6.462 -14.064 425 1HB ASP 60 1HB ASP 60 2.988 -4.087 -12.756 426 2HB ASP 60 2HB ASP 60 2.273 -4.207 -14.351 427 H GLY 61 H GLY 61 1.700 -5.236 -10.685 428 1HA GLY 61 1HA GLY 61 2.573 -6.763 -8.909 429 2HA GLY 61 2HA GLY 61 4.097 -6.710 -9.772 430 H THR 62 H THR 62 1.699 -4.060 -9.156 431 HA THR 62 HA THR 62 3.592 -2.805 -7.328 432 HB THR 62 HB THR 62 2.489 -1.365 -9.792 433 HG1 THR 62 HG1 THR 62 4.884 -1.682 -10.358 434 1HG2 THR 62 1HG2 THR 62 4.733 -0.758 -7.795 435 2HG2 THR 62 2HG2 THR 62 4.422 0.176 -9.278 436 3HG2 THR 62 3HG2 THR 62 3.214 0.154 -7.971 437 H ILE 63 H ILE 63 2.574 -0.741 -6.372 438 HA ILE 63 HA ILE 63 -0.250 -1.379 -5.893 439 HB ILE 63 HB ILE 63 1.664 0.140 -4.120 440 1HG1 ILE 63 1HG1 ILE 63 0.969 -2.793 -4.230 441 2HG1 ILE 63 2HG1 ILE 63 2.552 -2.041 -4.194 442 1HG2 ILE 63 1HG2 ILE 63 -0.512 0.808 -3.565 443 2HG2 ILE 63 2HG2 ILE 63 -1.175 -0.827 -3.798 444 3HG2 ILE 63 3HG2 ILE 63 -0.128 -0.482 -2.401 445 1HD1 ILE 63 1HD1 ILE 63 0.587 -2.445 -1.942 446 2HD1 ILE 63 2HD1 ILE 63 2.346 -2.718 -1.970 447 3HD1 ILE 63 3HD1 ILE 63 1.704 -1.061 -1.863 448 H ASP 64 H ASP 64 -1.533 0.699 -5.190 449 HA ASP 64 HA ASP 64 -0.609 3.082 -6.432 450 1HB ASP 64 1HB ASP 64 -1.698 1.516 -8.259 451 2HB ASP 64 2HB ASP 64 -3.217 1.947 -7.498 452 H PHE 65 H PHE 65 -2.489 4.824 -6.218 453 HA PHE 65 HA PHE 65 -3.327 4.940 -3.614 454 1HB PHE 65 1HB PHE 65 -3.528 6.387 -6.100 455 2HB PHE 65 2HB PHE 65 -5.168 6.264 -5.495 456 HD1 PHE 65 HD1 PHE 65 -4.664 6.410 -2.559 457 HD2 PHE 65 HD2 PHE 65 -3.007 8.638 -5.768 458 HE1 PHE 65 HE1 PHE 65 -4.236 8.333 -1.004 459 HE2 PHE 65 HE2 PHE 65 -2.579 10.561 -4.213 460 HZ PHE 65 HZ PHE 65 -3.199 10.385 -1.849 461 HA PRO 66 HA PRO 66 -7.526 3.280 -5.040 462 1HB PRO 66 1HB PRO 66 -7.822 2.253 -7.555 463 2HB PRO 66 2HB PRO 66 -8.239 3.903 -7.139 464 1HG PRO 66 1HG PRO 66 -5.899 2.907 -8.645 465 2HG PRO 66 2HG PRO 66 -6.554 4.531 -8.582 466 1HD PRO 66 1HD PRO 66 -4.216 3.571 -7.226 467 2HD PRO 66 2HD PRO 66 -4.938 5.160 -7.073 468 H GLU 67 H GLU 67 -4.699 1.631 -6.151 469 HA GLU 67 HA GLU 67 -5.826 -0.927 -5.893 470 1HB GLU 67 1HB GLU 67 -3.057 0.204 -6.233 471 2HB GLU 67 2HB GLU 67 -3.198 -1.463 -5.711 472 1HG GLU 67 1HG GLU 67 -4.738 -1.898 -7.678 473 2HG GLU 67 2HG GLU 67 -4.453 -0.256 -8.221 474 H PHE 68 H PHE 68 -3.525 0.978 -3.815 475 HA PHE 68 HA PHE 68 -3.368 -0.865 -1.763 476 1HB PHE 68 1HB PHE 68 -2.269 1.554 -2.403 477 2HB PHE 68 2HB PHE 68 -3.464 2.131 -1.259 478 HD1 PHE 68 HD1 PHE 68 -2.150 2.824 0.545 479 HD2 PHE 68 HD2 PHE 68 -1.526 -1.037 -1.102 480 HE1 PHE 68 HE1 PHE 68 -0.604 2.264 2.442 481 HE2 PHE 68 HE2 PHE 68 0.020 -1.597 0.794 482 HZ PHE 68 HZ PHE 68 0.462 0.061 2.544 483 H LEU 69 H LEU 69 -5.607 1.961 -2.178 484 HA LEU 69 HA LEU 69 -6.903 1.974 0.162 485 1HB LEU 69 1HB LEU 69 -7.311 2.996 -2.370 486 2HB LEU 69 2HB LEU 69 -8.759 2.048 -2.095 487 HG LEU 69 HG LEU 69 -7.755 4.114 -0.126 488 1HD1 LEU 69 1HD1 LEU 69 -8.594 4.715 -2.677 489 2HD1 LEU 69 2HD1 LEU 69 -10.092 4.860 -1.726 490 3HD1 LEU 69 3HD1 LEU 69 -8.654 5.806 -1.273 491 1HD2 LEU 69 1HD2 LEU 69 -10.408 3.995 0.261 492 2HD2 LEU 69 2HD2 LEU 69 -10.123 2.332 -0.306 493 3HD2 LEU 69 3HD2 LEU 69 -9.247 2.951 1.115 494 H THR 70 H THR 70 -7.475 -0.360 -2.540 495 HA THR 70 HA THR 70 -9.551 -1.738 -1.217 496 HB THR 70 HB THR 70 -7.634 -2.372 -3.510 497 HG1 THR 70 HG1 THR 70 -9.499 -0.710 -3.459 498 1HG2 THR 70 1HG2 THR 70 -8.534 -4.503 -2.387 499 2HG2 THR 70 2HG2 THR 70 -10.171 -3.896 -2.735 500 3HG2 THR 70 3HG2 THR 70 -9.056 -4.268 -4.072 501 H MET 71 H MET 71 -5.985 -2.261 -1.381 502 HA MET 71 HA MET 71 -5.926 -4.663 -0.101 503 1HB MET 71 1HB MET 71 -3.944 -3.591 -1.126 504 2HB MET 71 2HB MET 71 -4.013 -2.269 0.022 505 1HG MET 71 1HG MET 71 -2.262 -4.010 0.583 506 2HG MET 71 2HG MET 71 -3.411 -3.729 1.876 507 1HE MET 71 1HE MET 71 -3.563 -7.222 2.777 508 2HE MET 71 2HE MET 71 -1.974 -6.730 2.145 509 3HE MET 71 3HE MET 71 -2.963 -5.571 3.065 510 H MET 72 H MET 72 -5.468 -1.393 1.441 511 HA MET 72 HA MET 72 -5.425 -2.351 4.020 512 1HB MET 72 1HB MET 72 -5.739 0.243 2.605 513 2HB MET 72 2HB MET 72 -6.561 0.232 4.153 514 1HG MET 72 1HG MET 72 -3.753 -0.870 4.055 515 2HG MET 72 2HG MET 72 -3.949 0.868 3.939 516 1HE MET 72 1HE MET 72 -3.076 1.801 6.006 517 2HE MET 72 2HE MET 72 -3.198 1.059 7.619 518 3HE MET 72 3HE MET 72 -2.321 0.220 6.317 519 H ALA 73 H ALA 73 -8.188 -0.753 2.263 520 HA ALA 73 HA ALA 73 -10.100 -0.976 4.168 521 1HB ALA 73 1HB ALA 73 -10.447 0.175 2.059 522 2HB ALA 73 2HB ALA 73 -10.309 -1.352 1.155 523 3HB ALA 73 3HB ALA 73 -11.699 -1.078 2.232 524 H ARG 74 H ARG 74 -9.300 -3.473 1.647 525 HA ARG 74 HA ARG 74 -11.098 -5.324 2.604 526 1HB ARG 74 1HB ARG 74 -8.515 -5.567 1.005 527 2HB ARG 74 2HB ARG 74 -9.461 -6.987 1.403 528 1HG ARG 74 1HG ARG 74 -10.787 -4.582 0.106 529 2HG ARG 74 2HG ARG 74 -9.915 -5.745 -0.873 530 1HD ARG 74 1HD ARG 74 -11.380 -7.535 0.448 531 2HD ARG 74 2HD ARG 74 -12.421 -6.165 0.778 532 HE ARG 74 HE ARG 74 -12.044 -5.934 -1.929 533 1HH1 ARG 74 2HH2 ARG 74 -12.971 -8.653 0.103 534 2HH1 ARG 74 1HH2 ARG 74 -13.909 -9.422 -1.133 535 1HH2 ARG 74 2HH1 ARG 74 -13.282 -6.947 -3.560 536 2HH2 ARG 74 1HH1 ARG 74 -14.088 -8.445 -3.231 537 H LYS 75 H LYS 75 -7.788 -4.456 3.593 538 HA LYS 75 HA LYS 75 -7.150 -6.768 5.010 539 1HB LYS 75 1HB LYS 75 -5.640 -4.843 4.299 540 2HB LYS 75 2HB LYS 75 -6.248 -3.960 5.684 541 1HG LYS 75 1HG LYS 75 -4.250 -5.034 6.452 542 2HG LYS 75 2HG LYS 75 -5.566 -5.970 7.133 543 1HD LYS 75 1HD LYS 75 -4.646 -6.858 4.431 544 2HD LYS 75 2HD LYS 75 -3.472 -7.055 5.717 545 1HE LYS 75 1HE LYS 75 -5.722 -8.014 6.972 546 2HE LYS 75 2HE LYS 75 -6.094 -8.436 5.313 547 1HZ LYS 75 1HZ LYS 75 -3.444 -9.032 6.357 548 2HZ LYS 75 2HZ LYS 75 -4.692 -10.008 6.754 549 3HZ LYS 75 3HZ LYS 75 -4.287 -9.797 5.186 550 H MET 76 H MET 76 -8.457 -3.607 6.251 551 HA MET 76 HA MET 76 -8.881 -4.555 8.807 552 1HB MET 76 1HB MET 76 -10.262 -2.513 9.057 553 2HB MET 76 2HB MET 76 -8.863 -2.136 8.072 554 1HG MET 76 1HG MET 76 -10.119 -1.831 6.148 555 2HG MET 76 2HG MET 76 -11.264 -3.091 6.562 556 1HE MET 76 1HE MET 76 -12.634 -0.183 5.483 557 2HE MET 76 2HE MET 76 -13.037 -1.902 5.715 558 3HE MET 76 3HE MET 76 -13.972 -0.646 6.562 559 H LYS 77 H LYS 77 -10.610 -5.170 5.846 560 HA LYS 77 HA LYS 77 -13.187 -5.538 6.837 561 1HB LYS 77 1HB LYS 77 -12.250 -5.444 4.404 562 2HB LYS 77 2HB LYS 77 -12.032 -7.172 4.587 563 1HG LYS 77 1HG LYS 77 -14.214 -6.962 3.664 564 2HG LYS 77 2HG LYS 77 -14.500 -7.259 5.367 565 1HD LYS 77 1HD LYS 77 -15.937 -5.430 4.809 566 2HD LYS 77 2HD LYS 77 -14.600 -4.706 5.681 567 1HE LYS 77 1HE LYS 77 -14.379 -3.304 3.900 568 2HE LYS 77 2HE LYS 77 -13.673 -4.664 3.050 569 1HZ LYS 77 1HZ LYS 77 -16.499 -3.871 3.041 570 2HZ LYS 77 2HZ LYS 77 -15.460 -3.836 1.782 571 3HZ LYS 77 3HZ LYS 77 -15.957 -5.267 2.389 572 H ASP 78 H ASP 78 -10.555 -7.981 6.259 573 HA ASP 78 HA ASP 78 -11.876 -10.123 7.253 574 1HB ASP 78 1HB ASP 78 -9.041 -9.306 6.905 575 2HB ASP 78 2HB ASP 78 -9.264 -10.534 8.134 576 H THR 79 H THR 79 -9.542 -7.927 9.005 577 HA THR 79 HA THR 79 -9.896 -9.046 11.533 578 HB THR 79 HB THR 79 -8.839 -6.891 12.262 579 HG1 THR 79 HG1 THR 79 -10.254 -5.748 10.567 580 1HG2 THR 79 1HG2 THR 79 -6.834 -7.471 11.320 581 2HG2 THR 79 2HG2 THR 79 -7.726 -8.701 10.391 582 3HG2 THR 79 3HG2 THR 79 -7.432 -7.092 9.687 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -15.472 0.485 4.495 2 HA ALA 1 HA ALA 1 -15.041 1.406 2.464 3 1HB ALA 1 1HB ALA 1 -14.486 -0.993 1.669 4 2HB ALA 1 2HB ALA 1 -16.161 -1.041 1.071 5 3HB ALA 1 3HB ALA 1 -15.027 0.178 0.442 6 H ASP 2 H ASP 2 -16.739 1.549 0.243 7 HA ASP 2 HA ASP 2 -18.752 2.070 -0.448 8 1HB ASP 2 1HB ASP 2 -19.424 0.379 1.656 9 2HB ASP 2 2HB ASP 2 -20.221 1.867 2.129 10 H GLN 3 H GLN 3 -18.200 2.963 3.038 11 HA GLN 3 HA GLN 3 -18.631 5.732 2.249 12 1HB GLN 3 1HB GLN 3 -19.719 6.106 4.500 13 2HB GLN 3 2HB GLN 3 -20.655 5.107 3.407 14 1HG GLN 3 1HG GLN 3 -19.988 3.070 4.546 15 2HG GLN 3 2HG GLN 3 -18.755 3.908 5.467 16 1HE2 GLN 3 1HE2 GLN 3 -19.782 2.983 7.319 17 2HE2 GLN 3 2HE2 GLN 3 -21.168 3.732 8.040 18 H LEU 4 H LEU 4 -17.153 3.338 4.482 19 HA LEU 4 HA LEU 4 -15.672 5.076 6.036 20 1HB LEU 4 1HB LEU 4 -15.599 3.010 6.901 21 2HB LEU 4 2HB LEU 4 -15.641 2.221 5.337 22 HG LEU 4 HG LEU 4 -13.196 2.884 5.067 23 1HD1 LEU 4 1HD1 LEU 4 -12.065 3.136 7.394 24 2HD1 LEU 4 2HD1 LEU 4 -12.777 4.563 6.604 25 3HD1 LEU 4 3HD1 LEU 4 -13.659 3.737 7.911 26 1HD2 LEU 4 1HD2 LEU 4 -14.098 0.921 7.182 27 2HD2 LEU 4 2HD2 LEU 4 -13.718 0.609 5.471 28 3HD2 LEU 4 3HD2 LEU 4 -12.417 1.036 6.608 29 H THR 5 H THR 5 -15.221 3.970 2.690 30 HA THR 5 HA THR 5 -12.555 4.482 2.307 31 HB THR 5 HB THR 5 -14.806 3.835 0.775 32 HG1 THR 5 HG1 THR 5 -12.093 4.714 0.067 33 1HG2 THR 5 1HG2 THR 5 -13.556 6.455 -0.212 34 2HG2 THR 5 2HG2 THR 5 -14.601 5.394 -1.187 35 3HG2 THR 5 3HG2 THR 5 -15.262 6.224 0.242 36 H GLU 6 H GLU 6 -15.214 6.793 2.776 37 HA GLU 6 HA GLU 6 -13.812 9.001 1.805 38 1HB GLU 6 1HB GLU 6 -16.379 8.575 2.525 39 2HB GLU 6 2HB GLU 6 -15.831 9.337 4.005 40 1HG GLU 6 1HG GLU 6 -14.872 11.229 2.569 41 2HG GLU 6 2HG GLU 6 -15.665 10.498 1.188 42 H GLU 7 H GLU 7 -14.139 7.513 5.075 43 HA GLU 7 HA GLU 7 -12.702 9.549 6.359 44 1HB GLU 7 1HB GLU 7 -12.845 6.716 7.410 45 2HB GLU 7 2HB GLU 7 -12.903 8.222 8.304 46 1HG GLU 7 1HG GLU 7 -15.115 8.412 6.584 47 2HG GLU 7 2HG GLU 7 -15.099 6.717 7.029 48 H GLN 8 H GLN 8 -11.831 6.323 4.992 49 HA GLN 8 HA GLN 8 -9.193 6.403 5.907 50 1HB GLN 8 1HB GLN 8 -10.682 4.816 3.806 51 2HB GLN 8 2HB GLN 8 -8.939 4.673 3.917 52 1HG GLN 8 1HG GLN 8 -10.830 4.271 6.282 53 2HG GLN 8 2HG GLN 8 -10.220 2.962 5.290 54 1HE2 GLN 8 1HE2 GLN 8 -7.895 2.691 5.115 55 2HE2 GLN 8 2HE2 GLN 8 -6.874 3.072 6.461 56 H ILE 9 H ILE 9 -10.612 6.991 2.606 57 HA ILE 9 HA ILE 9 -8.401 7.653 1.233 58 HB ILE 9 HB ILE 9 -11.186 8.775 1.177 59 1HG1 ILE 9 1HG1 ILE 9 -10.604 6.369 0.521 60 2HG1 ILE 9 2HG1 ILE 9 -11.550 7.317 -0.609 61 1HG2 ILE 9 1HG2 ILE 9 -9.040 9.377 -0.873 62 2HG2 ILE 9 2HG2 ILE 9 -10.725 9.952 -0.857 63 3HG2 ILE 9 3HG2 ILE 9 -9.580 10.517 0.383 64 1HD1 ILE 9 1HD1 ILE 9 -9.709 7.655 -2.075 65 2HD1 ILE 9 2HD1 ILE 9 -8.521 7.232 -0.818 66 3HD1 ILE 9 3HD1 ILE 9 -9.535 5.964 -1.548 67 H ALA 10 H ALA 10 -10.204 9.776 3.532 68 HA ALA 10 HA ALA 10 -8.849 12.115 3.117 69 1HB ALA 10 1HB ALA 10 -9.377 12.492 5.600 70 2HB ALA 10 2HB ALA 10 -10.752 12.073 4.551 71 3HB ALA 10 3HB ALA 10 -10.028 10.835 5.605 72 H GLU 11 H GLU 11 -7.988 9.429 5.410 73 HA GLU 11 HA GLU 11 -5.580 10.678 6.136 74 1HB GLU 11 1HB GLU 11 -6.606 7.829 6.466 75 2HB GLU 11 2HB GLU 11 -5.079 8.371 7.134 76 1HG GLU 11 1HG GLU 11 -6.152 9.974 8.577 77 2HG GLU 11 2HG GLU 11 -7.670 9.862 7.709 78 H PHE 12 H PHE 12 -6.456 8.000 3.867 79 HA PHE 12 HA PHE 12 -3.904 7.260 3.144 80 1HB PHE 12 1HB PHE 12 -6.703 7.082 2.211 81 2HB PHE 12 2HB PHE 12 -5.617 7.191 0.839 82 HD1 PHE 12 HD1 PHE 12 -5.934 5.327 4.062 83 HD2 PHE 12 HD2 PHE 12 -4.752 5.231 -0.012 84 HE1 PHE 12 HE1 PHE 12 -5.431 2.876 4.266 85 HE2 PHE 12 HE2 PHE 12 -4.249 2.780 0.192 86 HZ PHE 12 HZ PHE 12 -4.595 1.632 2.328 87 H LYS 13 H LYS 13 -5.691 10.195 2.415 88 HA LYS 13 HA LYS 13 -4.346 10.834 0.013 89 1HB LYS 13 1HB LYS 13 -6.565 11.753 1.202 90 2HB LYS 13 2HB LYS 13 -5.447 12.972 1.781 91 1HG LYS 13 1HG LYS 13 -6.208 13.869 -0.275 92 2HG LYS 13 2HG LYS 13 -4.652 13.179 -0.691 93 1HD LYS 13 1HD LYS 13 -5.582 11.612 -2.071 94 2HD LYS 13 2HD LYS 13 -6.835 11.206 -0.916 95 1HE LYS 13 1HE LYS 13 -8.224 13.065 -1.622 96 2HE LYS 13 2HE LYS 13 -6.917 13.784 -2.541 97 1HZ LYS 13 1HZ LYS 13 -7.810 12.672 -4.219 98 2HZ LYS 13 2HZ LYS 13 -7.105 11.335 -3.602 99 3HZ LYS 13 3HZ LYS 13 -8.670 11.661 -3.267 100 H GLU 14 H GLU 14 -3.974 12.115 3.398 101 HA GLU 14 HA GLU 14 -1.585 13.424 2.721 102 1HB GLU 14 1HB GLU 14 -3.099 12.847 5.261 103 2HB GLU 14 2HB GLU 14 -1.437 13.385 5.399 104 1HG GLU 14 1HG GLU 14 -2.140 15.282 3.717 105 2HG GLU 14 2HG GLU 14 -3.784 14.845 4.138 106 H ALA 15 H ALA 15 -2.425 10.200 3.985 107 HA ALA 15 HA ALA 15 0.135 9.520 4.925 108 1HB ALA 15 1HB ALA 15 -0.769 7.207 4.824 109 2HB ALA 15 2HB ALA 15 -1.914 8.341 5.581 110 3HB ALA 15 3HB ALA 15 -2.167 7.809 3.902 111 H PHE 16 H PHE 16 -1.492 9.308 1.725 112 HA PHE 16 HA PHE 16 0.050 7.669 0.320 113 1HB PHE 16 1HB PHE 16 -1.810 9.161 -0.517 114 2HB PHE 16 2HB PHE 16 -0.766 10.559 -0.356 115 HD1 PHE 16 HD1 PHE 16 -0.484 7.183 -1.949 116 HD2 PHE 16 HD2 PHE 16 -0.015 11.381 -2.362 117 HE1 PHE 16 HE1 PHE 16 0.308 6.863 -4.309 118 HE2 PHE 16 HE2 PHE 16 0.777 11.060 -4.722 119 HZ PHE 16 HZ PHE 16 0.929 8.805 -5.668 120 H SER 17 H SER 17 0.967 11.036 1.273 121 HA SER 17 HA SER 17 3.250 11.263 -0.162 122 1HB SER 17 1HB SER 17 2.296 13.089 1.178 123 2HB SER 17 2HB SER 17 2.660 12.239 2.666 124 HG SER 17 HG SER 17 4.461 13.420 2.574 125 H LEU 18 H LEU 18 2.990 10.092 3.282 126 HA LEU 18 HA LEU 18 5.619 9.363 3.592 127 1HB LEU 18 1HB LEU 18 3.103 8.199 4.785 128 2HB LEU 18 2HB LEU 18 4.719 7.794 5.328 129 HG LEU 18 HG LEU 18 3.690 10.637 5.301 130 1HD1 LEU 18 1HD1 LEU 18 3.347 10.258 7.797 131 2HD1 LEU 18 2HD1 LEU 18 2.134 9.558 6.698 132 3HD1 LEU 18 3HD1 LEU 18 3.380 8.517 7.429 133 1HD2 LEU 18 1HD2 LEU 18 5.505 11.150 6.713 134 2HD2 LEU 18 2HD2 LEU 18 5.858 9.434 7.026 135 3HD2 LEU 18 3HD2 LEU 18 6.180 10.130 5.420 136 H PHE 19 H PHE 19 2.840 7.332 2.439 137 HA PHE 19 HA PHE 19 4.296 5.024 2.029 138 1HB PHE 19 1HB PHE 19 1.872 6.343 0.689 139 2HB PHE 19 2HB PHE 19 2.382 4.731 0.226 140 HD1 PHE 19 HD1 PHE 19 2.864 3.203 2.469 141 HD2 PHE 19 HD2 PHE 19 0.096 6.403 2.141 142 HE1 PHE 19 HE1 PHE 19 1.524 2.237 4.358 143 HE2 PHE 19 HE2 PHE 19 -1.245 5.436 4.030 144 HZ PHE 19 HZ PHE 19 -0.515 3.365 5.116 145 H ASP 20 H ASP 20 4.092 8.008 0.111 146 HA ASP 20 HA ASP 20 5.094 6.821 -2.242 147 1HB ASP 20 1HB ASP 20 3.906 9.232 -1.585 148 2HB ASP 20 2HB ASP 20 5.575 9.729 -1.782 149 H LYS 21 H LYS 21 7.098 5.744 -1.702 150 HA LYS 21 HA LYS 21 9.148 7.329 -0.388 151 1HB LYS 21 1HB LYS 21 9.344 4.450 -1.290 152 2HB LYS 21 2HB LYS 21 10.320 5.279 -0.094 153 1HG LYS 21 1HG LYS 21 7.319 5.110 0.296 154 2HG LYS 21 2HG LYS 21 8.314 3.717 0.673 155 1HD LYS 21 1HD LYS 21 9.734 5.193 2.166 156 2HD LYS 21 2HD LYS 21 8.633 6.519 1.849 157 1HE LYS 21 1HE LYS 21 6.745 5.191 2.805 158 2HE LYS 21 2HE LYS 21 7.829 3.847 3.099 159 1HZ LYS 21 1HZ LYS 21 7.460 6.175 4.629 160 2HZ LYS 21 2HZ LYS 21 8.260 4.805 5.018 161 3HZ LYS 21 3HZ LYS 21 9.037 6.010 4.235 162 H ASP 22 H ASP 22 8.014 7.774 -3.228 163 HA ASP 22 HA ASP 22 10.636 7.996 -4.410 164 1HB ASP 22 1HB ASP 22 8.233 6.699 -5.779 165 2HB ASP 22 2HB ASP 22 9.678 7.203 -6.633 166 H GLY 23 H GLY 23 7.046 8.456 -4.823 167 1HA GLY 23 1HA GLY 23 5.933 10.460 -5.012 168 2HA GLY 23 2HA GLY 23 7.447 11.304 -5.267 169 H ASP 24 H ASP 24 6.199 8.372 -6.983 170 HA ASP 24 HA ASP 24 6.367 9.957 -9.421 171 1HB ASP 24 1HB ASP 24 6.232 7.364 -10.296 172 2HB ASP 24 2HB ASP 24 7.735 8.213 -9.993 173 H GLY 25 H GLY 25 4.351 8.099 -7.225 174 1HA GLY 25 1HA GLY 25 1.986 8.437 -7.325 175 2HA GLY 25 2HA GLY 25 2.066 8.387 -9.074 176 H THR 26 H THR 26 4.139 6.135 -7.353 177 HA THR 26 HA THR 26 2.145 4.017 -7.451 178 HB THR 26 HB THR 26 3.844 2.629 -8.813 179 HG1 THR 26 HG1 THR 26 4.764 5.403 -9.094 180 1HG2 THR 26 1HG2 THR 26 3.218 3.575 -10.982 181 2HG2 THR 26 2HG2 THR 26 1.816 3.748 -9.899 182 3HG2 THR 26 3HG2 THR 26 2.856 5.151 -10.238 183 H ILE 27 H ILE 27 2.330 2.643 -5.776 184 HA ILE 27 HA ILE 27 4.560 3.118 -3.989 185 HB ILE 27 HB ILE 27 1.943 1.648 -3.755 186 1HG1 ILE 27 1HG1 ILE 27 1.636 3.988 -3.572 187 2HG1 ILE 27 2HG1 ILE 27 1.597 3.357 -1.937 188 1HG2 ILE 27 1HG2 ILE 27 3.166 1.823 -1.214 189 2HG2 ILE 27 2HG2 ILE 27 2.764 0.362 -2.148 190 3HG2 ILE 27 3HG2 ILE 27 4.370 1.112 -2.316 191 1HD1 ILE 27 1HD1 ILE 27 4.140 3.900 -1.846 192 2HD1 ILE 27 2HD1 ILE 27 3.847 4.868 -3.310 193 3HD1 ILE 27 3HD1 ILE 27 3.004 5.269 -1.794 194 H THR 28 H THR 28 6.278 2.205 -5.269 195 HA THR 28 HA THR 28 6.303 -0.254 -6.461 196 HB THR 28 HB THR 28 8.359 1.515 -5.102 197 HG1 THR 28 HG1 THR 28 7.893 0.361 -7.763 198 1HG2 THR 28 1HG2 THR 28 10.161 0.067 -5.832 199 2HG2 THR 28 2HG2 THR 28 9.075 -0.959 -4.866 200 3HG2 THR 28 3HG2 THR 28 9.026 -1.039 -6.643 201 H THR 29 H THR 29 6.968 -2.372 -5.877 202 HA THR 29 HA THR 29 5.796 -3.361 -3.591 203 HB THR 29 HB THR 29 7.156 -5.409 -4.165 204 HG1 THR 29 HG1 THR 29 9.080 -4.881 -5.117 205 1HG2 THR 29 1HG2 THR 29 5.153 -4.640 -5.649 206 2HG2 THR 29 2HG2 THR 29 6.387 -3.994 -6.757 207 3HG2 THR 29 3HG2 THR 29 6.334 -5.738 -6.404 208 H LYS 30 H LYS 30 9.331 -2.729 -4.115 209 HA LYS 30 HA LYS 30 9.987 -3.351 -1.455 210 1HB LYS 30 1HB LYS 30 12.163 -2.696 -2.020 211 2HB LYS 30 2HB LYS 30 11.494 -3.323 -3.512 212 1HG LYS 30 1HG LYS 30 10.756 -0.665 -3.688 213 2HG LYS 30 2HG LYS 30 12.266 -0.531 -2.809 214 1HD LYS 30 1HD LYS 30 12.389 -2.424 -5.095 215 2HD LYS 30 2HD LYS 30 12.034 -0.775 -5.570 216 1HE LYS 30 1HE LYS 30 14.103 -0.577 -3.617 217 2HE LYS 30 2HE LYS 30 14.561 -1.915 -4.652 218 1HZ LYS 30 1HZ LYS 30 14.436 0.858 -5.257 219 2HZ LYS 30 2HZ LYS 30 15.264 -0.333 -6.008 220 3HZ LYS 30 3HZ LYS 30 13.700 -0.058 -6.391 221 H GLU 31 H GLU 31 8.635 -0.509 -3.030 222 HA GLU 31 HA GLU 31 9.456 1.320 -1.065 223 1HB GLU 31 1HB GLU 31 8.860 2.377 -3.050 224 2HB GLU 31 2HB GLU 31 7.508 1.303 -3.351 225 1HG GLU 31 1HG GLU 31 6.213 2.387 -1.524 226 2HG GLU 31 2HG GLU 31 7.573 3.430 -1.158 227 H LEU 32 H LEU 32 6.709 -0.919 -1.442 228 HA LEU 32 HA LEU 32 5.096 0.252 0.557 229 1HB LEU 32 1HB LEU 32 3.981 -1.062 -0.986 230 2HB LEU 32 2HB LEU 32 5.163 -2.354 -0.912 231 HG LEU 32 HG LEU 32 4.237 -2.455 1.629 232 1HD1 LEU 32 1HD1 LEU 32 1.570 -2.317 0.728 233 2HD1 LEU 32 2HD1 LEU 32 2.375 -1.290 1.939 234 3HD1 LEU 32 3HD1 LEU 32 2.346 -0.795 0.230 235 1HD2 LEU 32 1HD2 LEU 32 2.449 -4.106 0.378 236 2HD2 LEU 32 2HD2 LEU 32 3.693 -3.892 -0.877 237 3HD2 LEU 32 3HD2 LEU 32 4.147 -4.504 0.731 238 H GLY 33 H GLY 33 7.706 -2.206 0.528 239 1HA GLY 33 1HA GLY 33 7.341 -3.114 3.175 240 2HA GLY 33 2HA GLY 33 8.789 -3.253 2.198 241 H THR 34 H THR 34 8.814 -0.207 1.766 242 HA THR 34 HA THR 34 10.565 0.413 3.870 243 HB THR 34 HB THR 34 9.074 2.177 1.854 244 HG1 THR 34 HG1 THR 34 11.640 0.763 2.021 245 1HG2 THR 34 1HG2 THR 34 11.500 2.625 3.651 246 2HG2 THR 34 2HG2 THR 34 11.297 3.514 2.123 247 3HG2 THR 34 3HG2 THR 34 10.094 3.692 3.422 248 H VAL 35 H VAL 35 7.185 1.568 3.228 249 HA VAL 35 HA VAL 35 6.933 3.128 5.462 250 HB VAL 35 HB VAL 35 5.099 1.597 3.689 251 1HG1 VAL 35 1HG1 VAL 35 3.241 2.831 5.195 252 2HG1 VAL 35 2HG1 VAL 35 3.739 1.142 5.458 253 3HG1 VAL 35 3HG1 VAL 35 4.425 2.439 6.465 254 1HG2 VAL 35 1HG2 VAL 35 5.738 4.444 4.339 255 2HG2 VAL 35 2HG2 VAL 35 5.507 3.651 2.762 256 3HG2 VAL 35 3HG2 VAL 35 4.096 4.067 3.764 257 H MET 36 H MET 36 6.137 -0.399 5.112 258 HA MET 36 HA MET 36 5.190 -0.953 7.517 259 1HB MET 36 1HB MET 36 7.343 -2.495 5.965 260 2HB MET 36 2HB MET 36 6.405 -3.199 7.267 261 1HG MET 36 1HG MET 36 5.064 -1.919 4.848 262 2HG MET 36 2HG MET 36 5.562 -3.599 4.839 263 1HE MET 36 1HE MET 36 1.750 -1.970 6.374 264 2HE MET 36 2HE MET 36 3.176 -0.928 6.599 265 3HE MET 36 3HE MET 36 2.786 -1.566 4.983 266 H ARG 37 H ARG 37 8.670 -0.411 6.736 267 HA ARG 37 HA ARG 37 9.787 -1.219 9.047 268 1HB ARG 37 1HB ARG 37 10.512 1.278 7.431 269 2HB ARG 37 2HB ARG 37 11.581 0.483 8.569 270 1HG ARG 37 1HG ARG 37 10.964 -1.672 7.047 271 2HG ARG 37 2HG ARG 37 10.688 -0.428 5.844 272 1HD ARG 37 1HD ARG 37 13.156 0.199 7.214 273 2HD ARG 37 2HD ARG 37 13.208 -1.493 6.757 274 HE ARG 37 HE ARG 37 12.277 -0.315 4.456 275 1HH1 ARG 37 2HH2 ARG 37 15.015 0.400 6.548 276 2HH1 ARG 37 1HH2 ARG 37 15.986 1.051 5.270 277 1HH2 ARG 37 2HH1 ARG 37 13.557 0.544 2.769 278 2HH2 ARG 37 1HH1 ARG 37 15.151 1.133 3.106 279 H SER 38 H SER 38 8.388 2.046 8.284 280 HA SER 38 HA SER 38 8.999 3.275 10.634 281 1HB SER 38 1HB SER 38 7.625 3.954 8.359 282 2HB SER 38 2HB SER 38 6.301 3.875 9.505 283 HG SER 38 HG SER 38 8.589 5.603 9.498 284 H LEU 39 H LEU 39 6.734 0.686 9.992 285 HA LEU 39 HA LEU 39 5.261 1.193 12.446 286 1HB LEU 39 1HB LEU 39 4.938 -0.809 10.212 287 2HB LEU 39 2HB LEU 39 3.970 -0.829 11.673 288 HG LEU 39 HG LEU 39 4.077 1.387 9.609 289 1HD1 LEU 39 1HD1 LEU 39 2.224 -0.884 10.142 290 2HD1 LEU 39 2HD1 LEU 39 1.511 0.672 9.653 291 3HD1 LEU 39 3HD1 LEU 39 2.708 -0.126 8.606 292 1HD2 LEU 39 1HD2 LEU 39 2.239 2.422 10.939 293 2HD2 LEU 39 2HD2 LEU 39 2.570 1.245 12.233 294 3HD2 LEU 39 3HD2 LEU 39 3.819 2.422 11.758 295 H GLY 40 H GLY 40 8.188 0.569 12.439 296 1HA GLY 40 1HA GLY 40 9.664 -0.885 13.358 297 2HA GLY 40 2HA GLY 40 8.473 -0.935 14.642 298 H GLN 41 H GLN 41 8.854 -2.315 11.291 299 HA GLN 41 HA GLN 41 8.253 -4.901 12.480 300 1HB GLN 41 1HB GLN 41 6.516 -3.466 10.759 301 2HB GLN 41 2HB GLN 41 7.234 -4.706 9.750 302 1HG GLN 41 1HG GLN 41 6.696 -6.258 11.885 303 2HG GLN 41 2HG GLN 41 5.500 -5.016 12.197 304 1HE2 GLN 41 1HE2 GLN 41 3.620 -5.814 11.623 305 2HE2 GLN 41 2HE2 GLN 41 3.220 -6.551 10.108 306 H ASN 42 H ASN 42 9.579 -3.017 9.702 307 HA ASN 42 HA ASN 42 11.121 -3.457 8.235 308 1HB ASN 42 1HB ASN 42 12.229 -3.933 10.778 309 2HB ASN 42 2HB ASN 42 12.720 -5.348 9.868 310 1HD2 ASN 42 1HD2 ASN 42 12.512 -1.809 9.644 311 2HD2 ASN 42 2HD2 ASN 42 13.972 -1.554 8.746 312 HA PRO 43 HA PRO 43 9.550 -7.749 7.527 313 1HB PRO 43 1HB PRO 43 7.744 -7.236 5.541 314 2HB PRO 43 2HB PRO 43 7.297 -7.377 7.229 315 1HG PRO 43 1HG PRO 43 7.533 -4.941 5.571 316 2HG PRO 43 2HG PRO 43 6.697 -5.154 7.097 317 1HD PRO 43 1HD PRO 43 9.232 -3.874 6.693 318 2HD PRO 43 2HD PRO 43 8.450 -4.190 8.229 319 H THR 44 H THR 44 9.221 -8.892 5.175 320 HA THR 44 HA THR 44 11.613 -7.963 3.725 321 HB THR 44 HB THR 44 11.455 -10.544 3.011 322 HG1 THR 44 HG1 THR 44 9.365 -10.646 4.249 323 1HG2 THR 44 1HG2 THR 44 12.952 -9.167 4.959 324 2HG2 THR 44 2HG2 THR 44 12.201 -10.501 5.868 325 3HG2 THR 44 3HG2 THR 44 13.216 -10.852 4.448 326 H GLU 45 H GLU 45 11.537 -7.634 1.537 327 HA GLU 45 HA GLU 45 9.058 -7.017 0.481 328 1HB GLU 45 1HB GLU 45 10.267 -6.629 -1.619 329 2HB GLU 45 2HB GLU 45 11.200 -6.011 -0.271 330 1HG GLU 45 1HG GLU 45 12.285 -8.460 -0.312 331 2HG GLU 45 2HG GLU 45 11.712 -8.458 -1.968 332 H ALA 46 H ALA 46 10.708 -10.055 0.816 333 HA ALA 46 HA ALA 46 9.690 -11.374 -1.450 334 1HB ALA 46 1HB ALA 46 10.048 -13.295 0.534 335 2HB ALA 46 2HB ALA 46 11.292 -12.720 -0.602 336 3HB ALA 46 3HB ALA 46 11.159 -11.991 1.016 337 H GLU 47 H GLU 47 8.562 -11.149 1.992 338 HA GLU 47 HA GLU 47 6.295 -12.713 1.512 339 1HB GLU 47 1HB GLU 47 7.064 -10.769 3.719 340 2HB GLU 47 2HB GLU 47 5.532 -11.620 3.738 341 1HG GLU 47 1HG GLU 47 7.906 -13.346 3.205 342 2HG GLU 47 2HG GLU 47 7.879 -12.612 4.796 343 H LEU 48 H LEU 48 6.975 -9.189 1.406 344 HA LEU 48 HA LEU 48 4.256 -8.442 1.118 345 1HB LEU 48 1HB LEU 48 6.912 -7.092 0.808 346 2HB LEU 48 2HB LEU 48 5.463 -6.300 0.221 347 HG LEU 48 HG LEU 48 6.109 -5.561 2.477 348 1HD1 LEU 48 1HD1 LEU 48 3.970 -5.154 2.933 349 2HD1 LEU 48 2HD1 LEU 48 3.568 -6.219 1.565 350 3HD1 LEU 48 3HD1 LEU 48 3.622 -6.876 3.218 351 1HD2 LEU 48 1HD2 LEU 48 5.677 -7.164 4.394 352 2HD2 LEU 48 2HD2 LEU 48 5.709 -8.471 3.186 353 3HD2 LEU 48 3HD2 LEU 48 7.149 -7.454 3.435 354 H GLN 49 H GLN 49 6.700 -9.776 -1.001 355 HA GLN 49 HA GLN 49 5.921 -8.714 -3.398 356 1HB GLN 49 1HB GLN 49 7.933 -10.162 -2.977 357 2HB GLN 49 2HB GLN 49 6.882 -11.560 -2.870 358 1HG GLN 49 1HG GLN 49 6.056 -11.062 -5.213 359 2HG GLN 49 2HG GLN 49 7.214 -9.751 -5.309 360 1HE2 GLN 49 1HE2 GLN 49 6.973 -12.189 -6.887 361 2HE2 GLN 49 2HE2 GLN 49 8.479 -13.036 -6.769 362 H ASP 50 H ASP 50 4.500 -11.368 -1.453 363 HA ASP 50 HA ASP 50 2.795 -12.263 -3.486 364 1HB ASP 50 1HB ASP 50 3.468 -13.528 -1.385 365 2HB ASP 50 2HB ASP 50 2.435 -12.458 -0.459 366 H MET 51 H MET 51 2.681 -9.762 -0.930 367 HA MET 51 HA MET 51 -0.096 -9.356 -1.053 368 1HB MET 51 1HB MET 51 2.266 -8.254 0.305 369 2HB MET 51 2HB MET 51 1.210 -6.952 -0.204 370 1HG MET 51 1HG MET 51 0.170 -9.393 1.303 371 2HG MET 51 2HG MET 51 0.749 -7.961 2.130 372 1HE MET 51 1HE MET 51 -1.923 -9.511 -0.207 373 2HE MET 51 2HE MET 51 -2.268 -9.607 1.536 374 3HE MET 51 3HE MET 51 -3.323 -8.647 0.472 375 H ILE 52 H ILE 52 2.698 -7.363 -2.277 376 HA ILE 52 HA ILE 52 1.271 -5.452 -3.587 377 HB ILE 52 HB ILE 52 3.257 -5.193 -5.013 378 1HG1 ILE 52 1HG1 ILE 52 5.217 -6.798 -4.282 379 2HG1 ILE 52 2HG1 ILE 52 3.912 -7.910 -3.918 380 1HG2 ILE 52 1HG2 ILE 52 3.462 -4.037 -3.022 381 2HG2 ILE 52 2HG2 ILE 52 3.507 -5.520 -2.038 382 3HG2 ILE 52 3HG2 ILE 52 4.921 -5.056 -3.015 383 1HD1 ILE 52 1HD1 ILE 52 3.330 -6.721 -6.472 384 2HD1 ILE 52 2HD1 ILE 52 5.027 -7.257 -6.488 385 3HD1 ILE 52 3HD1 ILE 52 3.731 -8.418 -6.113 386 H ASN 53 H ASN 53 2.272 -8.704 -4.826 387 HA ASN 53 HA ASN 53 1.162 -8.316 -7.340 388 1HB ASN 53 1HB ASN 53 2.806 -10.120 -6.792 389 2HB ASN 53 2HB ASN 53 1.625 -10.902 -5.761 390 1HD2 ASN 53 1HD2 ASN 53 1.262 -12.754 -6.777 391 2HD2 ASN 53 2HD2 ASN 53 0.667 -12.936 -8.393 392 H GLU 54 H GLU 54 -0.111 -9.335 -4.169 393 HA GLU 54 HA GLU 54 -2.468 -10.500 -5.152 394 1HB GLU 54 1HB GLU 54 -1.620 -11.064 -2.934 395 2HB GLU 54 2HB GLU 54 -1.719 -9.393 -2.414 396 1HG GLU 54 1HG GLU 54 -3.787 -9.917 -1.619 397 2HG GLU 54 2HG GLU 54 -4.316 -9.871 -3.289 398 H VAL 55 H VAL 55 -1.851 -7.329 -3.468 399 HA VAL 55 HA VAL 55 -4.420 -6.332 -3.876 400 HB VAL 55 HB VAL 55 -3.479 -4.215 -3.248 401 1HG1 VAL 55 1HG1 VAL 55 -2.044 -6.443 -1.765 402 2HG1 VAL 55 2HG1 VAL 55 -2.399 -4.813 -1.145 403 3HG1 VAL 55 3HG1 VAL 55 -3.730 -5.941 -1.496 404 1HG2 VAL 55 1HG2 VAL 55 -1.560 -3.893 -4.535 405 2HG2 VAL 55 2HG2 VAL 55 -0.905 -4.136 -2.898 406 3HG2 VAL 55 3HG2 VAL 55 -0.865 -5.467 -4.078 407 H ASP 56 H ASP 56 -1.431 -6.217 -5.876 408 HA ASP 56 HA ASP 56 -2.274 -4.373 -7.703 409 1HB ASP 56 1HB ASP 56 0.012 -5.224 -7.682 410 2HB ASP 56 2HB ASP 56 -0.534 -6.858 -8.004 411 H ALA 57 H ALA 57 -4.216 -4.469 -8.851 412 HA ALA 57 HA ALA 57 -5.194 -7.110 -9.641 413 1HB ALA 57 1HB ALA 57 -6.502 -4.374 -9.400 414 2HB ALA 57 2HB ALA 57 -7.322 -5.808 -10.063 415 3HB ALA 57 3HB ALA 57 -6.773 -5.801 -8.370 416 H ASP 58 H ASP 58 -4.666 -3.757 -10.936 417 HA ASP 58 HA ASP 58 -5.329 -4.089 -13.475 418 1HB ASP 58 1HB ASP 58 -2.929 -2.736 -13.777 419 2HB ASP 58 2HB ASP 58 -4.449 -1.995 -13.318 420 H GLY 59 H GLY 59 -2.569 -5.523 -11.747 421 1HA GLY 59 1HA GLY 59 -1.429 -7.419 -12.393 422 2HA GLY 59 2HA GLY 59 -1.993 -7.225 -14.041 423 H ASP 60 H ASP 60 0.697 -6.969 -12.014 424 HA ASP 60 HA ASP 60 2.389 -6.183 -13.981 425 1HB ASP 60 1HB ASP 60 3.029 -3.859 -13.164 426 2HB ASP 60 2HB ASP 60 1.489 -3.950 -13.995 427 H GLY 61 H GLY 61 1.660 -5.462 -10.484 428 1HA GLY 61 1HA GLY 61 2.751 -6.868 -8.828 429 2HA GLY 61 2HA GLY 61 4.225 -6.752 -9.768 430 H THR 62 H THR 62 1.787 -4.219 -8.856 431 HA THR 62 HA THR 62 3.661 -3.005 -7.027 432 HB THR 62 HB THR 62 2.781 -1.519 -9.556 433 HG1 THR 62 HG1 THR 62 5.315 -2.705 -8.659 434 1HG2 THR 62 1HG2 THR 62 5.136 -0.418 -8.513 435 2HG2 THR 62 2HG2 THR 62 3.509 0.277 -8.321 436 3HG2 THR 62 3HG2 THR 62 4.182 -0.775 -7.053 437 H ILE 63 H ILE 63 2.701 -1.193 -5.830 438 HA ILE 63 HA ILE 63 -0.177 -1.637 -5.626 439 HB ILE 63 HB ILE 63 1.761 -0.317 -3.723 440 1HG1 ILE 63 1HG1 ILE 63 0.654 -3.126 -3.868 441 2HG1 ILE 63 2HG1 ILE 63 2.332 -2.621 -3.840 442 1HG2 ILE 63 1HG2 ILE 63 -0.141 -0.632 -2.094 443 2HG2 ILE 63 2HG2 ILE 63 -0.387 0.615 -3.341 444 3HG2 ILE 63 3HG2 ILE 63 -1.183 -0.969 -3.497 445 1HD1 ILE 63 1HD1 ILE 63 1.774 -1.558 -1.517 446 2HD1 ILE 63 2HD1 ILE 63 0.315 -2.576 -1.574 447 3HD1 ILE 63 3HD1 ILE 63 1.927 -3.328 -1.615 448 H ASP 64 H ASP 64 -1.452 0.439 -4.951 449 HA ASP 64 HA ASP 64 -0.380 2.825 -6.094 450 1HB ASP 64 1HB ASP 64 -1.472 1.386 -7.987 451 2HB ASP 64 2HB ASP 64 -3.001 1.761 -7.218 452 H PHE 65 H PHE 65 -2.396 4.559 -6.033 453 HA PHE 65 HA PHE 65 -3.180 4.747 -3.389 454 1HB PHE 65 1HB PHE 65 -3.371 6.154 -5.900 455 2HB PHE 65 2HB PHE 65 -5.011 6.050 -5.293 456 HD1 PHE 65 HD1 PHE 65 -4.541 6.259 -2.369 457 HD2 PHE 65 HD2 PHE 65 -2.800 8.391 -5.598 458 HE1 PHE 65 HE1 PHE 65 -4.100 8.205 -0.846 459 HE2 PHE 65 HE2 PHE 65 -2.358 10.337 -4.075 460 HZ PHE 65 HZ PHE 65 -3.014 10.220 -1.718 461 HA PRO 66 HA PRO 66 -7.386 3.088 -4.793 462 1HB PRO 66 1HB PRO 66 -7.690 2.031 -7.294 463 2HB PRO 66 2HB PRO 66 -8.098 3.688 -6.899 464 1HG PRO 66 1HG PRO 66 -5.763 2.660 -8.393 465 2HG PRO 66 2HG PRO 66 -6.409 4.288 -8.351 466 1HD PRO 66 1HD PRO 66 -4.076 3.332 -6.984 467 2HD PRO 66 2HD PRO 66 -4.789 4.928 -6.851 468 H GLU 67 H GLU 67 -4.613 1.377 -5.995 469 HA GLU 67 HA GLU 67 -5.747 -1.156 -5.654 470 1HB GLU 67 1HB GLU 67 -2.949 -0.076 -6.001 471 2HB GLU 67 2HB GLU 67 -3.151 -1.754 -5.536 472 1HG GLU 67 1HG GLU 67 -4.638 -2.127 -7.512 473 2HG GLU 67 2HG GLU 67 -4.453 -0.447 -7.973 474 H PHE 68 H PHE 68 -3.372 0.726 -3.638 475 HA PHE 68 HA PHE 68 -3.255 -1.106 -1.561 476 1HB PHE 68 1HB PHE 68 -1.949 1.142 -2.223 477 2HB PHE 68 2HB PHE 68 -3.165 1.935 -1.242 478 HD1 PHE 68 HD1 PHE 68 -1.889 2.708 0.565 479 HD2 PHE 68 HD2 PHE 68 -1.580 -1.361 -0.597 480 HE1 PHE 68 HE1 PHE 68 -0.542 2.222 2.626 481 HE2 PHE 68 HE2 PHE 68 -0.233 -1.848 1.464 482 HZ PHE 68 HZ PHE 68 0.270 -0.050 3.051 483 H LEU 69 H LEU 69 -5.485 1.662 -2.167 484 HA LEU 69 HA LEU 69 -6.695 1.835 0.269 485 1HB LEU 69 1HB LEU 69 -7.627 3.423 -0.945 486 2HB LEU 69 2HB LEU 69 -7.230 2.614 -2.448 487 HG LEU 69 HG LEU 69 -9.294 1.184 -2.119 488 1HD1 LEU 69 1HD1 LEU 69 -10.816 1.535 -0.459 489 2HD1 LEU 69 2HD1 LEU 69 -9.327 1.963 0.417 490 3HD1 LEU 69 3HD1 LEU 69 -10.368 3.245 -0.247 491 1HD2 LEU 69 1HD2 LEU 69 -9.260 3.006 -3.715 492 2HD2 LEU 69 2HD2 LEU 69 -10.840 2.942 -2.898 493 3HD2 LEU 69 3HD2 LEU 69 -9.646 4.178 -2.432 494 H THR 70 H THR 70 -7.559 -0.390 -2.464 495 HA THR 70 HA THR 70 -9.661 -1.664 -1.161 496 HB THR 70 HB THR 70 -7.684 -2.516 -3.334 497 HG1 THR 70 HG1 THR 70 -10.448 -1.555 -3.100 498 1HG2 THR 70 1HG2 THR 70 -10.169 -3.881 -2.217 499 2HG2 THR 70 2HG2 THR 70 -9.728 -4.054 -3.932 500 3HG2 THR 70 3HG2 THR 70 -8.612 -4.619 -2.666 501 H MET 71 H MET 71 -6.150 -2.543 -1.270 502 HA MET 71 HA MET 71 -6.276 -4.855 0.097 503 1HB MET 71 1HB MET 71 -4.179 -3.969 -0.819 504 2HB MET 71 2HB MET 71 -4.251 -2.561 0.221 505 1HG MET 71 1HG MET 71 -4.294 -5.175 1.663 506 2HG MET 71 2HG MET 71 -2.809 -4.844 0.794 507 1HE MET 71 1HE MET 71 -1.865 -4.209 4.265 508 2HE MET 71 2HE MET 71 -1.739 -5.128 2.747 509 3HE MET 71 3HE MET 71 -0.861 -3.591 2.932 510 H MET 72 H MET 72 -5.709 -1.595 1.624 511 HA MET 72 HA MET 72 -5.836 -2.509 4.211 512 1HB MET 72 1HB MET 72 -5.424 -0.082 2.900 513 2HB MET 72 2HB MET 72 -6.961 0.216 3.688 514 1HG MET 72 1HG MET 72 -4.931 -1.105 5.428 515 2HG MET 72 2HG MET 72 -4.490 0.508 4.903 516 1HE MET 72 1HE MET 72 -4.988 2.140 7.210 517 2HE MET 72 2HE MET 72 -5.763 1.125 8.449 518 3HE MET 72 3HE MET 72 -4.421 0.475 7.478 519 H ALA 73 H ALA 73 -8.441 -0.799 2.321 520 HA ALA 73 HA ALA 73 -10.444 -0.910 4.135 521 1HB ALA 73 1HB ALA 73 -11.200 -1.626 1.348 522 2HB ALA 73 2HB ALA 73 -11.749 -0.278 2.373 523 3HB ALA 73 3HB ALA 73 -10.188 -0.173 1.526 524 H ARG 74 H ARG 74 -9.637 -3.485 1.697 525 HA ARG 74 HA ARG 74 -11.565 -5.236 2.583 526 1HB ARG 74 1HB ARG 74 -8.904 -5.637 1.151 527 2HB ARG 74 2HB ARG 74 -9.954 -6.995 1.502 528 1HG ARG 74 1HG ARG 74 -11.387 -4.708 0.276 529 2HG ARG 74 2HG ARG 74 -10.121 -5.355 -0.750 530 1HD ARG 74 1HD ARG 74 -11.402 -7.157 -1.268 531 2HD ARG 74 2HD ARG 74 -11.554 -7.581 0.425 532 HE ARG 74 HE ARG 74 -13.299 -5.383 -0.069 533 1HH1 ARG 74 2HH2 ARG 74 -12.971 -8.771 -0.959 534 2HH1 ARG 74 1HH2 ARG 74 -14.672 -9.008 -1.187 535 1HH2 ARG 74 2HH1 ARG 74 -15.543 -5.695 -0.370 536 2HH2 ARG 74 1HH1 ARG 74 -16.144 -7.246 -0.850 537 H LYS 75 H LYS 75 -8.135 -4.723 3.565 538 HA LYS 75 HA LYS 75 -7.603 -6.906 5.043 539 1HB LYS 75 1HB LYS 75 -6.416 -4.500 4.659 540 2HB LYS 75 2HB LYS 75 -6.912 -4.321 6.330 541 1HG LYS 75 1HG LYS 75 -4.757 -5.324 6.466 542 2HG LYS 75 2HG LYS 75 -5.866 -6.652 6.748 543 1HD LYS 75 1HD LYS 75 -5.171 -6.170 3.881 544 2HD LYS 75 2HD LYS 75 -3.839 -6.703 4.888 545 1HE LYS 75 1HE LYS 75 -5.894 -8.400 5.702 546 2HE LYS 75 2HE LYS 75 -6.244 -8.197 3.997 547 1HZ LYS 75 1HZ LYS 75 -4.744 -9.970 4.217 548 2HZ LYS 75 2HZ LYS 75 -3.873 -8.735 3.600 549 3HZ LYS 75 3HZ LYS 75 -3.726 -9.129 5.178 550 H MET 76 H MET 76 -9.266 -3.945 6.349 551 HA MET 76 HA MET 76 -9.818 -4.970 8.804 552 1HB MET 76 1HB MET 76 -10.961 -2.865 6.993 553 2HB MET 76 2HB MET 76 -12.025 -3.371 8.290 554 1HG MET 76 1HG MET 76 -9.543 -3.077 9.577 555 2HG MET 76 2HG MET 76 -9.552 -1.760 8.421 556 1HE MET 76 1HE MET 76 -10.501 0.466 9.030 557 2HE MET 76 2HE MET 76 -11.040 0.718 10.708 558 3HE MET 76 3HE MET 76 -9.480 -0.076 10.384 559 H LYS 77 H LYS 77 -11.841 -5.142 5.799 560 HA LYS 77 HA LYS 77 -14.024 -6.411 6.913 561 1HB LYS 77 1HB LYS 77 -13.321 -5.491 4.435 562 2HB LYS 77 2HB LYS 77 -13.293 -7.222 4.166 563 1HG LYS 77 1HG LYS 77 -15.597 -7.387 5.184 564 2HG LYS 77 2HG LYS 77 -15.621 -5.643 5.360 565 1HD LYS 77 1HD LYS 77 -14.911 -5.941 2.684 566 2HD LYS 77 2HD LYS 77 -15.991 -7.300 2.924 567 1HE LYS 77 1HE LYS 77 -16.786 -4.548 3.928 568 2HE LYS 77 2HE LYS 77 -16.988 -4.950 2.234 569 1HZ LYS 77 1HZ LYS 77 -17.957 -6.889 4.139 570 2HZ LYS 77 2HZ LYS 77 -18.796 -5.492 4.036 571 3HZ LYS 77 3HZ LYS 77 -18.596 -6.424 2.710 572 H ASP 78 H ASP 78 -11.175 -7.914 5.225 573 HA ASP 78 HA ASP 78 -11.891 -10.495 5.616 574 1HB ASP 78 1HB ASP 78 -9.830 -9.397 4.406 575 2HB ASP 78 2HB ASP 78 -9.017 -9.562 5.949 576 H THR 79 H THR 79 -9.584 -8.520 7.649 577 HA THR 79 HA THR 79 -9.364 -10.404 9.709 578 HB THR 79 HB THR 79 -8.241 -8.557 10.865 579 HG1 THR 79 HG1 THR 79 -9.467 -6.934 8.754 580 1HG2 THR 79 1HG2 THR 79 -6.584 -8.623 9.293 581 2HG2 THR 79 2HG2 THR 79 -7.758 -9.065 8.029 582 3HG2 THR 79 3HG2 THR 79 -7.451 -7.351 8.400 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -17.744 6.342 2.058 2 HA ALA 1 HA ALA 1 -18.861 7.628 -0.184 3 1HB ALA 1 1HB ALA 1 -18.341 6.279 -1.932 4 2HB ALA 1 2HB ALA 1 -16.946 5.800 -0.935 5 3HB ALA 1 3HB ALA 1 -18.420 4.803 -0.941 6 H ASP 2 H ASP 2 -18.892 4.146 0.830 7 HA ASP 2 HA ASP 2 -21.462 4.684 2.069 8 1HB ASP 2 1HB ASP 2 -21.395 3.564 -0.385 9 2HB ASP 2 2HB ASP 2 -21.068 2.113 0.541 10 H GLN 3 H GLN 3 -18.417 3.940 2.662 11 HA GLN 3 HA GLN 3 -19.116 1.932 4.625 12 1HB GLN 3 1HB GLN 3 -16.767 1.700 2.695 13 2HB GLN 3 2HB GLN 3 -16.958 0.703 4.124 14 1HG GLN 3 1HG GLN 3 -19.456 0.482 2.877 15 2HG GLN 3 2HG GLN 3 -18.349 0.537 1.519 16 1HE2 GLN 3 1HE2 GLN 3 -16.984 -1.117 1.107 17 2HE2 GLN 3 2HE2 GLN 3 -16.962 -2.621 1.966 18 H LEU 4 H LEU 4 -15.966 3.324 3.486 19 HA LEU 4 HA LEU 4 -15.865 5.254 5.550 20 1HB LEU 4 1HB LEU 4 -14.230 4.322 6.987 21 2HB LEU 4 2HB LEU 4 -15.585 3.214 6.903 22 HG LEU 4 HG LEU 4 -13.966 2.190 4.953 23 1HD1 LEU 4 1HD1 LEU 4 -11.838 2.781 5.140 24 2HD1 LEU 4 2HD1 LEU 4 -12.304 3.990 6.360 25 3HD1 LEU 4 3HD1 LEU 4 -11.831 2.351 6.868 26 1HD2 LEU 4 1HD2 LEU 4 -13.321 0.488 6.663 27 2HD2 LEU 4 2HD2 LEU 4 -14.049 1.532 7.908 28 3HD2 LEU 4 3HD2 LEU 4 -15.063 0.853 6.612 29 H THR 5 H THR 5 -15.570 4.898 2.613 30 HA THR 5 HA THR 5 -12.786 5.055 2.017 31 HB THR 5 HB THR 5 -15.282 5.830 0.416 32 HG1 THR 5 HG1 THR 5 -14.878 3.558 1.398 33 1HG2 THR 5 1HG2 THR 5 -13.773 6.392 -1.212 34 2HG2 THR 5 2HG2 THR 5 -12.408 5.867 -0.197 35 3HG2 THR 5 3HG2 THR 5 -13.266 4.686 -1.216 36 H GLU 6 H GLU 6 -15.382 7.420 2.713 37 HA GLU 6 HA GLU 6 -13.992 9.648 1.863 38 1HB GLU 6 1HB GLU 6 -16.355 9.796 2.327 39 2HB GLU 6 2HB GLU 6 -16.141 9.258 3.981 40 1HG GLU 6 1HG GLU 6 -15.647 11.360 4.709 41 2HG GLU 6 2HG GLU 6 -14.492 11.623 3.418 42 H GLU 7 H GLU 7 -14.382 8.367 5.252 43 HA GLU 7 HA GLU 7 -12.517 10.140 6.309 44 1HB GLU 7 1HB GLU 7 -12.582 8.607 8.304 45 2HB GLU 7 2HB GLU 7 -14.169 9.093 7.741 46 1HG GLU 7 1HG GLU 7 -14.729 6.968 7.030 47 2HG GLU 7 2HG GLU 7 -13.103 6.601 6.487 48 H GLN 8 H GLN 8 -12.251 6.939 4.774 49 HA GLN 8 HA GLN 8 -9.691 6.360 5.721 50 1HB GLN 8 1HB GLN 8 -11.023 4.567 4.845 51 2HB GLN 8 2HB GLN 8 -11.307 5.405 3.332 52 1HG GLN 8 1HG GLN 8 -9.611 3.624 3.039 53 2HG GLN 8 2HG GLN 8 -8.912 5.201 2.728 54 1HE2 GLN 8 1HE2 GLN 8 -8.547 2.320 4.314 55 2HE2 GLN 8 2HE2 GLN 8 -7.365 2.748 5.505 56 H ILE 9 H ILE 9 -10.824 7.619 2.497 57 HA ILE 9 HA ILE 9 -8.306 8.037 1.436 58 HB ILE 9 HB ILE 9 -10.977 9.337 0.942 59 1HG1 ILE 9 1HG1 ILE 9 -9.384 7.195 -0.493 60 2HG1 ILE 9 2HG1 ILE 9 -10.891 6.990 0.379 61 1HG2 ILE 9 1HG2 ILE 9 -10.146 10.796 -0.529 62 2HG2 ILE 9 2HG2 ILE 9 -8.582 10.526 0.277 63 3HG2 ILE 9 3HG2 ILE 9 -8.994 9.612 -1.193 64 1HD1 ILE 9 1HD1 ILE 9 -10.694 8.933 -1.949 65 2HD1 ILE 9 2HD1 ILE 9 -11.015 7.202 -2.209 66 3HD1 ILE 9 3HD1 ILE 9 -12.150 8.184 -1.252 67 H ALA 10 H ALA 10 -10.254 9.979 3.711 68 HA ALA 10 HA ALA 10 -9.033 12.404 3.536 69 1HB ALA 10 1HB ALA 10 -10.766 11.049 5.290 70 2HB ALA 10 2HB ALA 10 -9.418 11.603 6.312 71 3HB ALA 10 3HB ALA 10 -10.334 12.775 5.335 72 H GLU 11 H GLU 11 -8.006 9.659 5.696 73 HA GLU 11 HA GLU 11 -5.621 10.977 6.375 74 1HB GLU 11 1HB GLU 11 -6.784 8.233 6.815 75 2HB GLU 11 2HB GLU 11 -5.073 8.459 7.117 76 1HG GLU 11 1HG GLU 11 -5.509 10.225 8.741 77 2HG GLU 11 2HG GLU 11 -7.205 10.289 8.305 78 H PHE 12 H PHE 12 -6.465 8.290 4.102 79 HA PHE 12 HA PHE 12 -3.965 7.572 3.297 80 1HB PHE 12 1HB PHE 12 -6.745 7.432 2.432 81 2HB PHE 12 2HB PHE 12 -5.773 7.794 1.019 82 HD1 PHE 12 HD1 PHE 12 -5.906 5.434 3.902 83 HD2 PHE 12 HD2 PHE 12 -4.764 6.056 -0.137 84 HE1 PHE 12 HE1 PHE 12 -5.296 3.007 3.701 85 HE2 PHE 12 HE2 PHE 12 -4.153 3.630 -0.338 86 HZ PHE 12 HZ PHE 12 -4.426 2.134 1.583 87 H LYS 13 H LYS 13 -6.005 10.300 2.069 88 HA LYS 13 HA LYS 13 -4.573 11.118 -0.056 89 1HB LYS 13 1HB LYS 13 -6.679 12.099 1.210 90 2HB LYS 13 2HB LYS 13 -5.497 13.187 1.909 91 1HG LYS 13 1HG LYS 13 -4.815 14.005 -0.264 92 2HG LYS 13 2HG LYS 13 -5.659 12.714 -1.096 93 1HD LYS 13 1HD LYS 13 -7.551 14.120 0.596 94 2HD LYS 13 2HD LYS 13 -6.672 15.298 -0.358 95 1HE LYS 13 1HE LYS 13 -7.324 14.264 -2.437 96 2HE LYS 13 2HE LYS 13 -7.859 12.801 -1.635 97 1HZ LYS 13 1HZ LYS 13 -9.390 14.956 -2.242 98 2HZ LYS 13 2HZ LYS 13 -9.822 13.708 -1.281 99 3HZ LYS 13 3HZ LYS 13 -9.198 15.067 -0.624 100 H GLU 14 H GLU 14 -3.938 12.242 3.347 101 HA GLU 14 HA GLU 14 -1.508 13.423 2.567 102 1HB GLU 14 1HB GLU 14 -3.160 13.757 4.685 103 2HB GLU 14 2HB GLU 14 -1.995 12.684 5.436 104 1HG GLU 14 1HG GLU 14 -0.881 14.658 5.851 105 2HG GLU 14 2HG GLU 14 -0.253 14.384 4.238 106 H ALA 15 H ALA 15 -2.368 10.416 4.409 107 HA ALA 15 HA ALA 15 0.072 9.491 5.069 108 1HB ALA 15 1HB ALA 15 -1.254 7.220 4.137 109 2HB ALA 15 2HB ALA 15 -1.415 7.940 5.757 110 3HB ALA 15 3HB ALA 15 -2.571 8.369 4.474 111 H PHE 16 H PHE 16 -1.522 9.251 1.830 112 HA PHE 16 HA PHE 16 0.061 7.671 0.440 113 1HB PHE 16 1HB PHE 16 -1.765 9.107 -0.481 114 2HB PHE 16 2HB PHE 16 -0.816 10.551 -0.189 115 HD1 PHE 16 HD1 PHE 16 -0.516 7.317 -2.039 116 HD2 PHE 16 HD2 PHE 16 0.273 11.486 -1.989 117 HE1 PHE 16 HE1 PHE 16 0.429 7.166 -4.359 118 HE2 PHE 16 HE2 PHE 16 1.218 11.335 -4.309 119 HZ PHE 16 HZ PHE 16 1.285 9.177 -5.467 120 H SER 17 H SER 17 0.911 11.142 1.120 121 HA SER 17 HA SER 17 3.191 11.398 -0.162 122 1HB SER 17 1HB SER 17 2.570 13.251 1.127 123 2HB SER 17 2HB SER 17 2.330 12.301 2.580 124 HG SER 17 HG SER 17 4.624 13.575 1.653 125 H LEU 18 H LEU 18 2.820 9.716 3.030 126 HA LEU 18 HA LEU 18 5.567 9.031 3.187 127 1HB LEU 18 1HB LEU 18 3.127 8.001 4.639 128 2HB LEU 18 2HB LEU 18 4.775 7.548 5.028 129 HG LEU 18 HG LEU 18 3.662 10.365 5.154 130 1HD1 LEU 18 1HD1 LEU 18 2.713 8.801 6.845 131 2HD1 LEU 18 2HD1 LEU 18 4.364 8.510 7.443 132 3HD1 LEU 18 3HD1 LEU 18 3.655 10.140 7.544 133 1HD2 LEU 18 1HD2 LEU 18 6.044 10.350 4.634 134 2HD2 LEU 18 2HD2 LEU 18 5.757 10.936 6.290 135 3HD2 LEU 18 3HD2 LEU 18 6.355 9.281 6.023 136 H PHE 19 H PHE 19 2.587 7.034 2.575 137 HA PHE 19 HA PHE 19 3.711 4.674 2.016 138 1HB PHE 19 1HB PHE 19 1.490 6.273 0.628 139 2HB PHE 19 2HB PHE 19 1.776 4.593 0.222 140 HD1 PHE 19 HD1 PHE 19 2.421 3.567 2.988 141 HD2 PHE 19 HD2 PHE 19 -0.648 6.144 1.591 142 HE1 PHE 19 HE1 PHE 19 0.955 2.856 4.897 143 HE2 PHE 19 HE2 PHE 19 -2.114 5.433 3.501 144 HZ PHE 19 HZ PHE 19 -1.295 3.798 5.131 145 H ASP 20 H ASP 20 3.459 7.473 -0.264 146 HA ASP 20 HA ASP 20 4.801 5.970 -2.286 147 1HB ASP 20 1HB ASP 20 3.044 8.086 -2.319 148 2HB ASP 20 2HB ASP 20 4.559 8.944 -2.516 149 H LYS 21 H LYS 21 6.969 5.572 -1.605 150 HA LYS 21 HA LYS 21 8.483 7.623 -0.314 151 1HB LYS 21 1HB LYS 21 9.518 5.028 -1.473 152 2HB LYS 21 2HB LYS 21 10.221 5.995 -0.193 153 1HG LYS 21 1HG LYS 21 7.508 4.598 -0.030 154 2HG LYS 21 2HG LYS 21 8.991 3.985 0.674 155 1HD LYS 21 1HD LYS 21 9.162 5.924 2.167 156 2HD LYS 21 2HD LYS 21 7.817 6.715 1.371 157 1HE LYS 21 1HE LYS 21 6.325 4.790 2.074 158 2HE LYS 21 2HE LYS 21 7.676 4.106 2.956 159 1HZ LYS 21 1HZ LYS 21 6.075 5.613 4.183 160 2HZ LYS 21 2HZ LYS 21 7.671 5.856 4.431 161 3HZ LYS 21 3HZ LYS 21 6.834 6.858 3.450 162 H ASP 22 H ASP 22 8.852 5.867 -3.480 163 HA ASP 22 HA ASP 22 10.814 7.472 -4.461 164 1HB ASP 22 1HB ASP 22 10.086 6.690 -6.701 165 2HB ASP 22 2HB ASP 22 10.089 5.378 -5.539 166 H GLY 23 H GLY 23 7.206 7.767 -4.657 167 1HA GLY 23 1HA GLY 23 5.956 9.672 -4.788 168 2HA GLY 23 2HA GLY 23 7.408 10.632 -4.988 169 H ASP 24 H ASP 24 6.529 7.733 -6.935 170 HA ASP 24 HA ASP 24 6.670 9.432 -9.265 171 1HB ASP 24 1HB ASP 24 7.135 7.476 -10.495 172 2HB ASP 24 2HB ASP 24 7.894 7.146 -8.950 173 H GLY 25 H GLY 25 4.423 7.836 -7.138 174 1HA GLY 25 1HA GLY 25 2.103 8.555 -7.435 175 2HA GLY 25 2HA GLY 25 2.255 8.135 -9.130 176 H THR 26 H THR 26 4.143 5.851 -7.643 177 HA THR 26 HA THR 26 1.893 4.090 -6.976 178 HB THR 26 HB THR 26 3.319 2.324 -8.325 179 HG1 THR 26 HG1 THR 26 4.857 3.317 -9.631 180 1HG2 THR 26 1HG2 THR 26 2.041 2.703 -10.271 181 2HG2 THR 26 2HG2 THR 26 1.083 3.596 -9.065 182 3HG2 THR 26 3HG2 THR 26 2.197 4.472 -10.143 183 H ILE 27 H ILE 27 2.297 2.542 -5.397 184 HA ILE 27 HA ILE 27 4.686 3.123 -3.847 185 HB ILE 27 HB ILE 27 1.996 1.978 -3.318 186 1HG1 ILE 27 1HG1 ILE 27 2.473 3.371 -1.172 187 2HG1 ILE 27 2HG1 ILE 27 3.822 4.029 -2.076 188 1HG2 ILE 27 1HG2 ILE 27 3.081 1.295 -0.999 189 2HG2 ILE 27 2HG2 ILE 27 2.992 0.158 -2.366 190 3HG2 ILE 27 3HG2 ILE 27 4.511 1.020 -2.023 191 1HD1 ILE 27 1HD1 ILE 27 0.896 4.433 -2.473 192 2HD1 ILE 27 2HD1 ILE 27 2.254 5.533 -2.811 193 3HD1 ILE 27 3HD1 ILE 27 1.848 4.240 -3.965 194 H THR 28 H THR 28 6.302 2.129 -5.151 195 HA THR 28 HA THR 28 6.159 -0.404 -6.238 196 HB THR 28 HB THR 28 8.392 1.397 -5.219 197 HG1 THR 28 HG1 THR 28 8.014 0.286 -7.852 198 1HG2 THR 28 1HG2 THR 28 8.606 -1.370 -6.508 199 2HG2 THR 28 2HG2 THR 28 9.908 -0.159 -6.596 200 3HG2 THR 28 3HG2 THR 28 9.404 -0.811 -5.018 201 H THR 29 H THR 29 6.907 -2.479 -5.600 202 HA THR 29 HA THR 29 5.993 -3.386 -3.206 203 HB THR 29 HB THR 29 7.366 -5.388 -3.727 204 HG1 THR 29 HG1 THR 29 9.364 -4.705 -4.430 205 1HG2 THR 29 1HG2 THR 29 7.093 -4.694 -6.533 206 2HG2 THR 29 2HG2 THR 29 6.093 -5.812 -5.574 207 3HG2 THR 29 3HG2 THR 29 5.672 -4.084 -5.650 208 H LYS 30 H LYS 30 9.402 -2.388 -3.922 209 HA LYS 30 HA LYS 30 10.328 -2.897 -1.341 210 1HB LYS 30 1HB LYS 30 12.306 -1.864 -2.027 211 2HB LYS 30 2HB LYS 30 11.636 -2.516 -3.509 212 1HG LYS 30 1HG LYS 30 10.451 -0.044 -3.514 213 2HG LYS 30 2HG LYS 30 11.927 0.337 -2.649 214 1HD LYS 30 1HD LYS 30 11.987 -1.233 -5.256 215 2HD LYS 30 2HD LYS 30 11.954 0.519 -5.252 216 1HE LYS 30 1HE LYS 30 13.959 -0.409 -3.354 217 2HE LYS 30 2HE LYS 30 14.226 -1.185 -4.902 218 1HZ LYS 30 1HZ LYS 30 15.058 1.247 -4.325 219 2HZ LYS 30 2HZ LYS 30 14.743 0.754 -5.849 220 3HZ LYS 30 3HZ LYS 30 13.632 1.622 -5.026 221 H GLU 31 H GLU 31 8.641 -0.109 -2.806 222 HA GLU 31 HA GLU 31 9.171 1.653 -0.713 223 1HB GLU 31 1HB GLU 31 6.941 1.554 -2.785 224 2HB GLU 31 2HB GLU 31 7.137 2.887 -1.664 225 1HG GLU 31 1HG GLU 31 9.400 3.348 -2.531 226 2HG GLU 31 2HG GLU 31 9.333 1.930 -3.560 227 H LEU 32 H LEU 32 6.830 -0.967 -1.170 228 HA LEU 32 HA LEU 32 4.963 -0.154 0.753 229 1HB LEU 32 1HB LEU 32 4.428 -1.780 -0.919 230 2HB LEU 32 2HB LEU 32 5.702 -2.853 -0.374 231 HG LEU 32 HG LEU 32 3.394 -2.090 1.418 232 1HD1 LEU 32 1HD1 LEU 32 1.974 -3.247 0.170 233 2HD1 LEU 32 2HD1 LEU 32 3.263 -3.659 -0.986 234 3HD1 LEU 32 3HD1 LEU 32 2.969 -4.699 0.429 235 1HD2 LEU 32 1HD2 LEU 32 5.554 -4.179 1.465 236 2HD2 LEU 32 2HD2 LEU 32 5.035 -3.049 2.739 237 3HD2 LEU 32 3HD2 LEU 32 4.015 -4.446 2.319 238 H GLY 33 H GLY 33 7.913 -2.240 0.935 239 1HA GLY 33 1HA GLY 33 7.646 -2.902 3.657 240 2HA GLY 33 2HA GLY 33 9.111 -2.958 2.696 241 H THR 34 H THR 34 8.668 0.045 1.998 242 HA THR 34 HA THR 34 10.368 1.072 3.983 243 HB THR 34 HB THR 34 8.569 2.594 2.030 244 HG1 THR 34 HG1 THR 34 11.230 1.387 1.756 245 1HG2 THR 34 1HG2 THR 34 11.156 3.142 3.511 246 2HG2 THR 34 2HG2 THR 34 10.941 3.821 1.880 247 3HG2 THR 34 3HG2 THR 34 9.801 4.247 3.180 248 H VAL 35 H VAL 35 6.805 1.363 3.482 249 HA VAL 35 HA VAL 35 6.492 3.073 5.723 250 HB VAL 35 HB VAL 35 4.452 1.341 4.318 251 1HG1 VAL 35 1HG1 VAL 35 4.240 3.808 6.065 252 2HG1 VAL 35 2HG1 VAL 35 2.919 3.243 5.014 253 3HG1 VAL 35 3HG1 VAL 35 3.517 2.203 6.329 254 1HG2 VAL 35 1HG2 VAL 35 4.251 2.864 2.617 255 2HG2 VAL 35 2HG2 VAL 35 4.830 4.222 3.612 256 3HG2 VAL 35 3HG2 VAL 35 5.990 3.041 2.959 257 H MET 36 H MET 36 5.781 -0.442 5.131 258 HA MET 36 HA MET 36 4.797 -1.165 7.474 259 1HB MET 36 1HB MET 36 7.007 -2.563 5.869 260 2HB MET 36 2HB MET 36 6.068 -3.368 7.110 261 1HG MET 36 1HG MET 36 4.712 -1.960 4.774 262 2HG MET 36 2HG MET 36 5.277 -3.613 4.633 263 1HE MET 36 1HE MET 36 2.849 -1.382 5.139 264 2HE MET 36 2HE MET 36 1.527 -2.573 5.095 265 3HE MET 36 3HE MET 36 1.889 -1.700 6.604 266 H ARG 37 H ARG 37 8.382 -1.139 6.817 267 HA ARG 37 HA ARG 37 9.064 -1.680 9.431 268 1HB ARG 37 1HB ARG 37 11.341 -0.791 8.747 269 2HB ARG 37 2HB ARG 37 10.683 -1.973 7.633 270 1HG ARG 37 1HG ARG 37 11.231 -0.381 6.064 271 2HG ARG 37 2HG ARG 37 9.661 0.270 6.492 272 1HD ARG 37 1HD ARG 37 10.559 2.080 7.613 273 2HD ARG 37 2HD ARG 37 11.893 1.151 8.267 274 HE ARG 37 HE ARG 37 12.170 1.446 5.399 275 1HH1 ARG 37 2HH2 ARG 37 12.575 3.182 8.433 276 2HH1 ARG 37 1HH2 ARG 37 13.785 4.251 7.808 277 1HH2 ARG 37 2HH1 ARG 37 13.766 2.857 4.573 278 2HH2 ARG 37 1HH1 ARG 37 14.467 4.065 5.597 279 H SER 38 H SER 38 8.348 1.366 7.698 280 HA SER 38 HA SER 38 9.470 3.211 9.287 281 1HB SER 38 1HB SER 38 7.897 3.415 7.191 282 2HB SER 38 2HB SER 38 6.600 3.540 8.364 283 HG SER 38 HG SER 38 7.335 5.488 9.064 284 H LEU 39 H LEU 39 6.870 0.976 10.074 285 HA LEU 39 HA LEU 39 6.020 2.516 12.368 286 1HB LEU 39 1HB LEU 39 5.197 -0.207 11.350 287 2HB LEU 39 2HB LEU 39 4.472 0.625 12.711 288 HG LEU 39 HG LEU 39 4.494 1.712 9.883 289 1HD1 LEU 39 1HD1 LEU 39 1.945 1.091 10.172 290 2HD1 LEU 39 2HD1 LEU 39 3.129 -0.098 9.578 291 3HD1 LEU 39 3HD1 LEU 39 2.604 -0.137 11.279 292 1HD2 LEU 39 1HD2 LEU 39 2.406 2.653 11.682 293 2HD2 LEU 39 2HD2 LEU 39 4.039 3.021 12.288 294 3HD2 LEU 39 3HD2 LEU 39 3.547 3.568 10.667 295 H GLY 40 H GLY 40 7.389 -0.807 11.798 296 1HA GLY 40 1HA GLY 40 9.542 -0.889 13.301 297 2HA GLY 40 2HA GLY 40 8.332 -0.833 14.568 298 H GLN 41 H GLN 41 8.760 -2.533 11.372 299 HA GLN 41 HA GLN 41 8.180 -4.996 12.813 300 1HB GLN 41 1HB GLN 41 6.825 -3.868 10.387 301 2HB GLN 41 2HB GLN 41 7.120 -5.595 10.390 302 1HG GLN 41 1HG GLN 41 5.840 -4.216 12.781 303 2HG GLN 41 2HG GLN 41 4.877 -4.729 11.410 304 1HE2 GLN 41 1HE2 GLN 41 6.871 -5.716 14.085 305 2HE2 GLN 41 2HE2 GLN 41 6.456 -7.398 14.105 306 H ASN 42 H ASN 42 9.463 -3.485 9.777 307 HA ASN 42 HA ASN 42 11.206 -3.926 8.565 308 1HB ASN 42 1HB ASN 42 12.109 -4.509 11.142 309 2HB ASN 42 2HB ASN 42 12.475 -5.998 10.294 310 1HD2 ASN 42 1HD2 ASN 42 12.552 -2.495 9.622 311 2HD2 ASN 42 2HD2 ASN 42 14.145 -2.438 8.944 312 HA PRO 43 HA PRO 43 9.316 -8.058 7.655 313 1HB PRO 43 1HB PRO 43 7.607 -7.348 5.644 314 2HB PRO 43 2HB PRO 43 7.103 -7.519 7.314 315 1HG PRO 43 1HG PRO 43 7.554 -5.046 5.758 316 2HG PRO 43 2HG PRO 43 6.662 -5.256 7.252 317 1HD PRO 43 1HD PRO 43 9.290 -4.143 6.963 318 2HD PRO 43 2HD PRO 43 8.445 -4.459 8.465 319 H THR 44 H THR 44 9.036 -9.155 5.314 320 HA THR 44 HA THR 44 11.544 -8.383 3.988 321 HB THR 44 HB THR 44 11.088 -10.856 3.061 322 HG1 THR 44 HG1 THR 44 9.486 -11.837 4.264 323 1HG2 THR 44 1HG2 THR 44 12.889 -11.175 4.438 324 2HG2 THR 44 2HG2 THR 44 12.380 -9.839 5.499 325 3HG2 THR 44 3HG2 THR 44 11.725 -11.475 5.751 326 H GLU 45 H GLU 45 11.633 -7.859 1.844 327 HA GLU 45 HA GLU 45 9.274 -6.896 0.729 328 1HB GLU 45 1HB GLU 45 10.663 -6.404 -1.249 329 2HB GLU 45 2HB GLU 45 11.504 -5.959 0.223 330 1HG GLU 45 1HG GLU 45 12.097 -8.735 -0.404 331 2HG GLU 45 2HG GLU 45 12.387 -7.754 -1.827 332 H ALA 46 H ALA 46 10.755 -10.059 0.762 333 HA ALA 46 HA ALA 46 9.675 -11.001 -1.682 334 1HB ALA 46 1HB ALA 46 10.324 -12.754 0.688 335 2HB ALA 46 2HB ALA 46 10.607 -13.047 -1.045 336 3HB ALA 46 3HB ALA 46 11.626 -11.887 -0.160 337 H GLU 47 H GLU 47 8.735 -11.511 1.797 338 HA GLU 47 HA GLU 47 6.462 -12.925 1.280 339 1HB GLU 47 1HB GLU 47 7.384 -11.167 3.547 340 2HB GLU 47 2HB GLU 47 5.726 -11.731 3.563 341 1HG GLU 47 1HG GLU 47 7.671 -13.865 2.894 342 2HG GLU 47 2HG GLU 47 7.938 -13.166 4.479 343 H LEU 48 H LEU 48 6.969 -9.358 1.432 344 HA LEU 48 HA LEU 48 4.217 -8.749 1.129 345 1HB LEU 48 1HB LEU 48 6.786 -7.208 0.961 346 2HB LEU 48 2HB LEU 48 5.273 -6.469 0.476 347 HG LEU 48 HG LEU 48 5.694 -5.818 2.719 348 1HD1 LEU 48 1HD1 LEU 48 3.375 -7.143 1.965 349 2HD1 LEU 48 2HD1 LEU 48 3.772 -7.842 3.553 350 3HD1 LEU 48 3HD1 LEU 48 3.584 -6.080 3.378 351 1HD2 LEU 48 1HD2 LEU 48 5.869 -7.632 4.536 352 2HD2 LEU 48 2HD2 LEU 48 6.295 -8.730 3.202 353 3HD2 LEU 48 3HD2 LEU 48 7.301 -7.300 3.533 354 H GLN 49 H GLN 49 6.809 -9.714 -1.029 355 HA GLN 49 HA GLN 49 5.961 -8.514 -3.346 356 1HB GLN 49 1HB GLN 49 8.096 -9.893 -2.863 357 2HB GLN 49 2HB GLN 49 7.134 -11.317 -3.206 358 1HG GLN 49 1HG GLN 49 6.652 -10.536 -5.473 359 2HG GLN 49 2HG GLN 49 7.369 -8.971 -5.144 360 1HE2 GLN 49 1HE2 GLN 49 9.347 -8.669 -5.806 361 2HE2 GLN 49 2HE2 GLN 49 10.555 -9.875 -6.101 362 H ASP 50 H ASP 50 4.785 -11.433 -1.644 363 HA ASP 50 HA ASP 50 3.233 -12.353 -3.787 364 1HB ASP 50 1HB ASP 50 4.019 -13.604 -1.651 365 2HB ASP 50 2HB ASP 50 2.689 -12.817 -0.825 366 H MET 51 H MET 51 2.807 -10.055 -1.082 367 HA MET 51 HA MET 51 0.006 -9.935 -1.239 368 1HB MET 51 1HB MET 51 2.228 -8.242 -0.030 369 2HB MET 51 2HB MET 51 0.593 -7.611 -0.034 370 1HG MET 51 1HG MET 51 0.740 -10.425 0.887 371 2HG MET 51 2HG MET 51 1.665 -9.328 1.893 372 1HE MET 51 1HE MET 51 -0.534 -7.680 4.027 373 2HE MET 51 2HE MET 51 1.061 -7.819 3.248 374 3HE MET 51 3HE MET 51 -0.108 -6.606 2.674 375 H ILE 52 H ILE 52 2.624 -7.669 -2.364 376 HA ILE 52 HA ILE 52 1.012 -5.810 -3.564 377 HB ILE 52 HB ILE 52 3.004 -5.355 -5.005 378 1HG1 ILE 52 1HG1 ILE 52 5.095 -6.688 -4.101 379 2HG1 ILE 52 2HG1 ILE 52 3.909 -7.933 -3.763 380 1HG2 ILE 52 1HG2 ILE 52 2.634 -5.048 -2.221 381 2HG2 ILE 52 2HG2 ILE 52 4.345 -5.469 -2.467 382 3HG2 ILE 52 3HG2 ILE 52 3.642 -4.071 -3.315 383 1HD1 ILE 52 1HD1 ILE 52 5.143 -7.502 -6.222 384 2HD1 ILE 52 2HD1 ILE 52 3.657 -8.449 -5.967 385 3HD1 ILE 52 3HD1 ILE 52 3.551 -6.736 -6.439 386 H ASN 53 H ASN 53 2.073 -9.022 -4.746 387 HA ASN 53 HA ASN 53 1.223 -8.647 -7.361 388 1HB ASN 53 1HB ASN 53 2.186 -10.834 -5.668 389 2HB ASN 53 2HB ASN 53 0.871 -11.405 -6.676 390 1HD2 ASN 53 1HD2 ASN 53 4.040 -11.342 -6.532 391 2HD2 ASN 53 2HD2 ASN 53 4.505 -11.191 -8.193 392 H GLU 54 H GLU 54 -0.382 -9.589 -4.307 393 HA GLU 54 HA GLU 54 -2.705 -10.605 -5.523 394 1HB GLU 54 1HB GLU 54 -2.105 -11.286 -3.266 395 2HB GLU 54 2HB GLU 54 -2.110 -9.628 -2.700 396 1HG GLU 54 1HG GLU 54 -4.234 -10.233 -2.004 397 2HG GLU 54 2HG GLU 54 -4.638 -9.684 -3.618 398 H VAL 55 H VAL 55 -2.055 -7.519 -3.699 399 HA VAL 55 HA VAL 55 -4.503 -6.347 -4.221 400 HB VAL 55 HB VAL 55 -3.478 -4.314 -3.534 401 1HG1 VAL 55 1HG1 VAL 55 -1.971 -6.511 -2.086 402 2HG1 VAL 55 2HG1 VAL 55 -2.515 -4.944 -1.440 403 3HG1 VAL 55 3HG1 VAL 55 -3.709 -6.195 -1.861 404 1HG2 VAL 55 1HG2 VAL 55 -0.841 -5.633 -4.247 405 2HG2 VAL 55 2HG2 VAL 55 -1.567 -4.178 -4.972 406 3HG2 VAL 55 3HG2 VAL 55 -0.975 -4.135 -3.294 407 H ASP 56 H ASP 56 -1.421 -6.300 -6.105 408 HA ASP 56 HA ASP 56 -2.157 -4.470 -7.976 409 1HB ASP 56 1HB ASP 56 0.104 -5.438 -7.817 410 2HB ASP 56 2HB ASP 56 -0.501 -7.017 -8.276 411 H ALA 57 H ALA 57 -4.090 -4.531 -9.150 412 HA ALA 57 HA ALA 57 -5.017 -7.157 -10.069 413 1HB ALA 57 1HB ALA 57 -6.875 -6.352 -9.035 414 2HB ALA 57 2HB ALA 57 -6.304 -4.667 -9.104 415 3HB ALA 57 3HB ALA 57 -7.075 -5.405 -10.529 416 H ASP 58 H ASP 58 -4.357 -3.749 -11.070 417 HA ASP 58 HA ASP 58 -5.132 -3.820 -13.622 418 1HB ASP 58 1HB ASP 58 -2.924 -2.393 -14.008 419 2HB ASP 58 2HB ASP 58 -4.214 -1.775 -12.996 420 H GLY 59 H GLY 59 -2.412 -5.508 -12.080 421 1HA GLY 59 1HA GLY 59 -1.402 -7.405 -12.951 422 2HA GLY 59 2HA GLY 59 -1.886 -6.946 -14.571 423 H ASP 60 H ASP 60 0.682 -6.993 -12.297 424 HA ASP 60 HA ASP 60 2.571 -6.214 -14.063 425 1HB ASP 60 1HB ASP 60 3.161 -3.925 -12.842 426 2HB ASP 60 2HB ASP 60 2.047 -3.952 -14.194 427 H GLY 61 H GLY 61 1.794 -5.139 -10.657 428 1HA GLY 61 1HA GLY 61 2.592 -6.724 -8.899 429 2HA GLY 61 2HA GLY 61 4.137 -6.688 -9.725 430 H THR 62 H THR 62 1.831 -3.952 -9.192 431 HA THR 62 HA THR 62 3.707 -2.797 -7.269 432 HB THR 62 HB THR 62 2.663 -1.308 -9.732 433 HG1 THR 62 HG1 THR 62 4.210 -2.873 -10.405 434 1HG2 THR 62 1HG2 THR 62 3.337 0.159 -7.824 435 2HG2 THR 62 2HG2 THR 62 4.883 -0.715 -7.704 436 3HG2 THR 62 3HG2 THR 62 4.522 0.262 -9.148 437 H ILE 63 H ILE 63 2.740 -0.821 -6.187 438 HA ILE 63 HA ILE 63 -0.075 -1.435 -5.700 439 HB ILE 63 HB ILE 63 1.929 0.133 -4.073 440 1HG1 ILE 63 1HG1 ILE 63 1.193 -2.736 -4.183 441 2HG1 ILE 63 2HG1 ILE 63 2.697 -1.971 -3.710 442 1HG2 ILE 63 1HG2 ILE 63 -0.320 0.967 -3.708 443 2HG2 ILE 63 2HG2 ILE 63 -0.919 -0.688 -3.440 444 3HG2 ILE 63 3HG2 ILE 63 0.230 0.040 -2.291 445 1HD1 ILE 63 1HD1 ILE 63 1.724 -1.302 -1.540 446 2HD1 ILE 63 2HD1 ILE 63 0.152 -1.983 -2.022 447 3HD1 ILE 63 3HD1 ILE 63 1.549 -3.058 -1.778 448 H ASP 64 H ASP 64 -1.507 0.522 -5.212 449 HA ASP 64 HA ASP 64 -0.663 2.892 -6.596 450 1HB ASP 64 1HB ASP 64 -1.909 1.108 -8.159 451 2HB ASP 64 2HB ASP 64 -3.346 1.731 -7.372 452 H PHE 65 H PHE 65 -2.311 4.702 -6.197 453 HA PHE 65 HA PHE 65 -3.074 4.859 -3.583 454 1HB PHE 65 1HB PHE 65 -3.213 6.347 -6.022 455 2HB PHE 65 2HB PHE 65 -4.874 6.276 -5.466 456 HD1 PHE 65 HD1 PHE 65 -4.587 6.431 -2.555 457 HD2 PHE 65 HD2 PHE 65 -2.484 8.505 -5.603 458 HE1 PHE 65 HE1 PHE 65 -4.134 8.315 -0.960 459 HE2 PHE 65 HE2 PHE 65 -2.032 10.389 -4.008 460 HZ PHE 65 HZ PHE 65 -2.862 10.272 -1.706 461 HA PRO 66 HA PRO 66 -7.406 3.449 -4.886 462 1HB PRO 66 1HB PRO 66 -7.811 2.376 -7.366 463 2HB PRO 66 2HB PRO 66 -8.120 4.059 -6.989 464 1HG PRO 66 1HG PRO 66 -5.872 2.882 -8.505 465 2HG PRO 66 2HG PRO 66 -6.426 4.544 -8.477 466 1HD PRO 66 1HD PRO 66 -4.126 3.479 -7.134 467 2HD PRO 66 2HD PRO 66 -4.747 5.114 -7.013 468 H GLU 67 H GLU 67 -4.700 1.606 -5.985 469 HA GLU 67 HA GLU 67 -5.979 -0.872 -5.636 470 1HB GLU 67 1HB GLU 67 -3.144 0.066 -6.046 471 2HB GLU 67 2HB GLU 67 -3.401 -1.583 -5.510 472 1HG GLU 67 1HG GLU 67 -4.950 -1.961 -7.448 473 2HG GLU 67 2HG GLU 67 -4.667 -0.318 -7.988 474 H PHE 68 H PHE 68 -3.397 0.818 -3.698 475 HA PHE 68 HA PHE 68 -3.325 -0.922 -1.597 476 1HB PHE 68 1HB PHE 68 -2.045 1.330 -2.265 477 2HB PHE 68 2HB PHE 68 -3.274 2.123 -1.299 478 HD1 PHE 68 HD1 PHE 68 -2.114 2.905 0.561 479 HD2 PHE 68 HD2 PHE 68 -1.561 -1.120 -0.663 480 HE1 PHE 68 HE1 PHE 68 -0.773 2.459 2.635 481 HE2 PHE 68 HE2 PHE 68 -0.220 -1.567 1.411 482 HZ PHE 68 HZ PHE 68 0.158 0.228 3.036 483 H LEU 69 H LEU 69 -5.553 1.874 -2.131 484 HA LEU 69 HA LEU 69 -6.759 1.947 0.320 485 1HB LEU 69 1HB LEU 69 -7.650 3.619 -0.810 486 2HB LEU 69 2HB LEU 69 -7.272 2.882 -2.354 487 HG LEU 69 HG LEU 69 -9.361 1.515 -2.163 488 1HD1 LEU 69 1HD1 LEU 69 -10.840 1.655 -0.443 489 2HD1 LEU 69 2HD1 LEU 69 -9.347 2.013 0.457 490 3HD1 LEU 69 3HD1 LEU 69 -10.415 3.340 -0.058 491 1HD2 LEU 69 1HD2 LEU 69 -10.917 3.476 -2.566 492 2HD2 LEU 69 2HD2 LEU 69 -9.532 4.532 -2.198 493 3HD2 LEU 69 3HD2 LEU 69 -9.452 3.407 -3.575 494 H THR 70 H THR 70 -7.427 -0.244 -2.467 495 HA THR 70 HA THR 70 -9.624 -1.521 -1.216 496 HB THR 70 HB THR 70 -7.770 -2.102 -3.565 497 HG1 THR 70 HG1 THR 70 -10.614 -1.541 -3.090 498 1HG2 THR 70 1HG2 THR 70 -10.272 -3.627 -3.527 499 2HG2 THR 70 2HG2 THR 70 -8.617 -4.209 -3.830 500 3HG2 THR 70 3HG2 THR 70 -9.232 -4.100 -2.163 501 H MET 71 H MET 71 -6.094 -2.209 -1.348 502 HA MET 71 HA MET 71 -6.166 -4.694 -0.235 503 1HB MET 71 1HB MET 71 -4.083 -3.790 -1.083 504 2HB MET 71 2HB MET 71 -4.189 -2.371 -0.060 505 1HG MET 71 1HG MET 71 -4.186 -4.895 1.489 506 2HG MET 71 2HG MET 71 -2.741 -4.697 0.518 507 1HE MET 71 1HE MET 71 -1.001 -4.330 2.412 508 2HE MET 71 2HE MET 71 -1.396 -3.446 3.906 509 3HE MET 71 3HE MET 71 -2.342 -4.881 3.445 510 H MET 72 H MET 72 -5.624 -1.555 1.537 511 HA MET 72 HA MET 72 -5.659 -2.653 4.045 512 1HB MET 72 1HB MET 72 -5.515 -0.085 2.851 513 2HB MET 72 2HB MET 72 -6.924 0.021 3.888 514 1HG MET 72 1HG MET 72 -5.686 -0.207 5.840 515 2HG MET 72 2HG MET 72 -4.515 -1.284 5.105 516 1HE MET 72 1HE MET 72 -4.082 2.805 6.261 517 2HE MET 72 2HE MET 72 -4.859 1.332 6.890 518 3HE MET 72 3HE MET 72 -3.084 1.461 6.867 519 H ALA 73 H ALA 73 -8.394 -0.927 2.365 520 HA ALA 73 HA ALA 73 -10.341 -1.243 4.197 521 1HB ALA 73 1HB ALA 73 -11.011 -0.058 2.337 522 2HB ALA 73 2HB ALA 73 -10.245 -1.194 1.201 523 3HB ALA 73 3HB ALA 73 -11.790 -1.617 1.978 524 H ARG 74 H ARG 74 -9.568 -3.652 1.580 525 HA ARG 74 HA ARG 74 -11.344 -5.537 2.510 526 1HB ARG 74 1HB ARG 74 -8.776 -5.768 0.876 527 2HB ARG 74 2HB ARG 74 -9.792 -7.160 1.195 528 1HG ARG 74 1HG ARG 74 -11.297 -4.796 0.211 529 2HG ARG 74 2HG ARG 74 -10.109 -5.393 -0.931 530 1HD ARG 74 1HD ARG 74 -11.200 -7.430 -1.228 531 2HD ARG 74 2HD ARG 74 -11.813 -7.470 0.413 532 HE ARG 74 HE ARG 74 -13.112 -5.297 -0.810 533 1HH1 ARG 74 2HH2 ARG 74 -12.883 -8.767 -1.347 534 2HH1 ARG 74 1HH2 ARG 74 -14.456 -8.890 -2.062 535 1HH2 ARG 74 2HH1 ARG 74 -15.188 -5.458 -1.754 536 2HH2 ARG 74 1HH1 ARG 74 -15.776 -6.994 -2.295 537 H LYS 75 H LYS 75 -7.962 -4.773 3.389 538 HA LYS 75 HA LYS 75 -7.368 -7.130 4.755 539 1HB LYS 75 1HB LYS 75 -5.773 -5.328 3.994 540 2HB LYS 75 2HB LYS 75 -6.310 -4.354 5.347 541 1HG LYS 75 1HG LYS 75 -4.435 -5.444 6.255 542 2HG LYS 75 2HG LYS 75 -5.746 -6.466 6.810 543 1HD LYS 75 1HD LYS 75 -4.407 -7.067 4.158 544 2HD LYS 75 2HD LYS 75 -3.623 -7.550 5.649 545 1HE LYS 75 1HE LYS 75 -6.202 -8.434 6.109 546 2HE LYS 75 2HE LYS 75 -6.092 -8.629 4.371 547 1HZ LYS 75 1HZ LYS 75 -3.724 -9.548 5.433 548 2HZ LYS 75 2HZ LYS 75 -4.911 -10.181 6.360 549 3HZ LYS 75 3HZ LYS 75 -4.914 -10.431 4.746 550 H MET 76 H MET 76 -8.490 -3.925 6.060 551 HA MET 76 HA MET 76 -8.823 -4.854 8.634 552 1HB MET 76 1HB MET 76 -10.274 -2.789 8.871 553 2HB MET 76 2HB MET 76 -8.759 -2.453 8.055 554 1HG MET 76 1HG MET 76 -9.833 -2.440 5.872 555 2HG MET 76 2HG MET 76 -11.319 -3.101 6.525 556 1HE MET 76 1HE MET 76 -12.916 -0.238 8.478 557 2HE MET 76 2HE MET 76 -13.111 -1.836 7.717 558 3HE MET 76 3HE MET 76 -12.010 -1.638 9.102 559 H LYS 77 H LYS 77 -10.913 -5.062 5.764 560 HA LYS 77 HA LYS 77 -13.326 -5.573 7.069 561 1HB LYS 77 1HB LYS 77 -13.099 -4.948 4.691 562 2HB LYS 77 2HB LYS 77 -12.366 -6.501 4.345 563 1HG LYS 77 1HG LYS 77 -14.486 -7.588 5.330 564 2HG LYS 77 2HG LYS 77 -15.202 -5.988 5.343 565 1HD LYS 77 1HD LYS 77 -14.006 -6.412 2.744 566 2HD LYS 77 2HD LYS 77 -14.975 -7.820 3.131 567 1HE LYS 77 1HE LYS 77 -16.161 -5.092 3.660 568 2HE LYS 77 2HE LYS 77 -16.065 -5.641 1.999 569 1HZ LYS 77 1HZ LYS 77 -17.792 -6.508 4.053 570 2HZ LYS 77 2HZ LYS 77 -17.895 -6.761 2.443 571 3HZ LYS 77 3HZ LYS 77 -17.018 -7.776 3.374 572 H ASP 78 H ASP 78 -10.962 -7.910 5.589 573 HA ASP 78 HA ASP 78 -12.179 -10.176 6.397 574 1HB ASP 78 1HB ASP 78 -9.457 -9.345 5.639 575 2HB ASP 78 2HB ASP 78 -9.427 -10.693 6.758 576 H THR 79 H THR 79 -9.407 -8.493 8.083 577 HA THR 79 HA THR 79 -9.545 -10.042 10.415 578 HB THR 79 HB THR 79 -7.644 -8.545 9.483 579 HG1 THR 79 HG1 THR 79 -8.601 -8.156 12.231 580 1HG2 THR 79 1HG2 THR 79 -9.414 -6.476 9.615 581 2HG2 THR 79 2HG2 THR 79 -8.756 -6.392 11.266 582 3HG2 THR 79 3HG2 THR 79 -7.667 -6.245 9.866 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -17.093 8.022 8.170 2 HA ALA 1 HA ALA 1 -18.938 9.726 7.642 3 1HB ALA 1 1HB ALA 1 -17.458 10.852 6.242 4 2HB ALA 1 2HB ALA 1 -16.366 9.695 7.041 5 3HB ALA 1 3HB ALA 1 -16.962 9.367 5.396 6 H ASP 2 H ASP 2 -18.648 9.979 4.536 7 HA ASP 2 HA ASP 2 -21.120 9.430 3.812 8 1HB ASP 2 1HB ASP 2 -19.622 10.502 2.261 9 2HB ASP 2 2HB ASP 2 -18.536 9.127 2.238 10 H GLN 3 H GLN 3 -18.356 7.121 3.980 11 HA GLN 3 HA GLN 3 -20.136 4.952 4.253 12 1HB GLN 3 1HB GLN 3 -18.660 5.320 1.630 13 2HB GLN 3 2HB GLN 3 -19.037 3.711 2.215 14 1HG GLN 3 1HG GLN 3 -21.482 4.802 2.555 15 2HG GLN 3 2HG GLN 3 -20.909 5.893 1.308 16 1HE2 GLN 3 1HE2 GLN 3 -22.983 3.780 1.330 17 2HE2 GLN 3 2HE2 GLN 3 -22.622 2.716 0.012 18 H LEU 4 H LEU 4 -16.768 5.777 3.144 19 HA LEU 4 HA LEU 4 -15.515 5.073 5.478 20 1HB LEU 4 1HB LEU 4 -16.174 2.852 5.390 21 2HB LEU 4 2HB LEU 4 -15.992 2.749 3.650 22 HG LEU 4 HG LEU 4 -14.296 1.502 5.074 23 1HD1 LEU 4 1HD1 LEU 4 -14.096 2.208 2.608 24 2HD1 LEU 4 2HD1 LEU 4 -12.967 3.450 3.198 25 3HD1 LEU 4 3HD1 LEU 4 -12.615 1.726 3.470 26 1HD2 LEU 4 1HD2 LEU 4 -12.299 3.103 5.654 27 2HD2 LEU 4 2HD2 LEU 4 -13.586 4.327 5.776 28 3HD2 LEU 4 3HD2 LEU 4 -13.642 2.871 6.799 29 H THR 5 H THR 5 -15.293 4.641 1.886 30 HA THR 5 HA THR 5 -12.564 5.152 1.684 31 HB THR 5 HB THR 5 -14.987 5.329 -0.138 32 HG1 THR 5 HG1 THR 5 -14.025 3.265 0.291 33 1HG2 THR 5 1HG2 THR 5 -12.141 5.661 -1.152 34 2HG2 THR 5 2HG2 THR 5 -13.670 5.976 -2.007 35 3HG2 THR 5 3HG2 THR 5 -13.109 7.097 -0.743 36 H GLU 6 H GLU 6 -15.238 7.304 2.390 37 HA GLU 6 HA GLU 6 -14.039 9.637 1.442 38 1HB GLU 6 1HB GLU 6 -16.425 9.560 1.912 39 2HB GLU 6 2HB GLU 6 -16.141 9.143 3.590 40 1HG GLU 6 1HG GLU 6 -15.436 11.311 4.163 41 2HG GLU 6 2HG GLU 6 -14.910 11.689 2.535 42 H GLU 7 H GLU 7 -14.308 8.290 4.815 43 HA GLU 7 HA GLU 7 -12.533 10.221 5.829 44 1HB GLU 7 1HB GLU 7 -12.623 8.825 7.906 45 2HB GLU 7 2HB GLU 7 -14.212 9.208 7.275 46 1HG GLU 7 1HG GLU 7 -14.666 7.020 6.684 47 2HG GLU 7 2HG GLU 7 -13.009 6.683 6.222 48 H GLN 8 H GLN 8 -12.185 7.063 4.300 49 HA GLN 8 HA GLN 8 -9.643 6.505 5.363 50 1HB GLN 8 1HB GLN 8 -11.526 5.303 3.476 51 2HB GLN 8 2HB GLN 8 -9.885 5.176 2.874 52 1HG GLN 8 1HG GLN 8 -10.744 4.353 5.688 53 2HG GLN 8 2HG GLN 8 -10.588 3.240 4.344 54 1HE2 GLN 8 1HE2 GLN 8 -8.911 2.030 4.896 55 2HE2 GLN 8 2HE2 GLN 8 -7.309 2.591 5.239 56 H ILE 9 H ILE 9 -10.694 7.540 2.030 57 HA ILE 9 HA ILE 9 -8.188 7.987 1.013 58 HB ILE 9 HB ILE 9 -9.287 9.399 -0.623 59 1HG1 ILE 9 1HG1 ILE 9 -11.951 9.485 -0.120 60 2HG1 ILE 9 2HG1 ILE 9 -11.334 9.657 1.511 61 1HG2 ILE 9 1HG2 ILE 9 -9.564 7.185 -1.193 62 2HG2 ILE 9 2HG2 ILE 9 -10.575 6.827 0.228 63 3HG2 ILE 9 3HG2 ILE 9 -11.251 7.749 -1.137 64 1HD1 ILE 9 1HD1 ILE 9 -11.149 11.531 -0.792 65 2HD1 ILE 9 2HD1 ILE 9 -11.174 11.873 0.955 66 3HD1 ILE 9 3HD1 ILE 9 -9.658 11.374 0.168 67 H ALA 10 H ALA 10 -10.146 9.967 3.235 68 HA ALA 10 HA ALA 10 -8.889 12.392 2.974 69 1HB ALA 10 1HB ALA 10 -10.264 10.904 5.198 70 2HB ALA 10 2HB ALA 10 -9.435 12.434 5.572 71 3HB ALA 10 3HB ALA 10 -10.744 12.403 4.367 72 H GLU 11 H GLU 11 -8.046 9.746 5.330 73 HA GLU 11 HA GLU 11 -5.654 11.039 6.038 74 1HB GLU 11 1HB GLU 11 -6.986 8.422 6.642 75 2HB GLU 11 2HB GLU 11 -5.257 8.501 6.918 76 1HG GLU 11 1HG GLU 11 -5.452 10.199 8.553 77 2HG GLU 11 2HG GLU 11 -7.007 10.742 7.955 78 H PHE 12 H PHE 12 -6.491 8.251 3.892 79 HA PHE 12 HA PHE 12 -3.981 7.393 3.264 80 1HB PHE 12 1HB PHE 12 -6.728 7.376 2.200 81 2HB PHE 12 2HB PHE 12 -5.589 7.457 0.871 82 HD1 PHE 12 HD1 PHE 12 -6.124 5.548 4.037 83 HD2 PHE 12 HD2 PHE 12 -4.778 5.475 0.014 84 HE1 PHE 12 HE1 PHE 12 -5.748 3.072 4.208 85 HE2 PHE 12 HE2 PHE 12 -4.402 2.999 0.185 86 HZ PHE 12 HZ PHE 12 -4.892 1.827 2.280 87 H LYS 13 H LYS 13 -5.751 10.265 2.045 88 HA LYS 13 HA LYS 13 -4.188 10.847 -0.145 89 1HB LYS 13 1HB LYS 13 -6.351 11.930 0.597 90 2HB LYS 13 2HB LYS 13 -5.418 12.872 1.741 91 1HG LYS 13 1HG LYS 13 -4.001 13.728 -0.165 92 2HG LYS 13 2HG LYS 13 -5.010 12.836 -1.287 93 1HD LYS 13 1HD LYS 13 -6.524 14.573 0.599 94 2HD LYS 13 2HD LYS 13 -5.465 15.448 -0.488 95 1HE LYS 13 1HE LYS 13 -7.157 13.272 -1.696 96 2HE LYS 13 2HE LYS 13 -7.986 14.727 -1.179 97 1HZ LYS 13 1HZ LYS 13 -5.560 15.091 -2.702 98 2HZ LYS 13 2HZ LYS 13 -6.855 14.519 -3.515 99 3HZ LYS 13 3HZ LYS 13 -6.948 15.950 -2.734 100 H GLU 14 H GLU 14 -3.799 12.126 3.239 101 HA GLU 14 HA GLU 14 -1.318 13.271 2.615 102 1HB GLU 14 1HB GLU 14 -3.017 13.814 4.536 103 2HB GLU 14 2HB GLU 14 -2.206 12.537 5.421 104 1HG GLU 14 1HG GLU 14 -0.357 13.821 5.809 105 2HG GLU 14 2HG GLU 14 -0.290 14.385 4.151 106 H ALA 15 H ALA 15 -2.379 10.127 3.962 107 HA ALA 15 HA ALA 15 0.085 9.260 4.923 108 1HB ALA 15 1HB ALA 15 -1.396 7.055 3.865 109 2HB ALA 15 2HB ALA 15 -1.293 7.605 5.555 110 3HB ALA 15 3HB ALA 15 -2.568 8.242 4.488 111 H PHE 16 H PHE 16 -1.459 8.974 1.661 112 HA PHE 16 HA PHE 16 0.159 7.354 0.341 113 1HB PHE 16 1HB PHE 16 -1.685 8.750 -0.627 114 2HB PHE 16 2HB PHE 16 -0.733 10.204 -0.400 115 HD1 PHE 16 HD1 PHE 16 0.011 6.866 -1.917 116 HD2 PHE 16 HD2 PHE 16 -0.097 11.077 -2.429 117 HE1 PHE 16 HE1 PHE 16 0.954 6.609 -4.229 118 HE2 PHE 16 HE2 PHE 16 0.846 10.821 -4.741 119 HZ PHE 16 HZ PHE 16 1.360 8.590 -5.613 120 H SER 17 H SER 17 0.981 10.785 1.165 121 HA SER 17 HA SER 17 3.282 11.045 -0.181 122 1HB SER 17 1HB SER 17 2.687 11.968 2.665 123 2HB SER 17 2HB SER 17 4.007 12.582 1.689 124 HG SER 17 HG SER 17 1.857 12.801 0.128 125 H LEU 18 H LEU 18 2.801 9.459 3.040 126 HA LEU 18 HA LEU 18 5.544 8.853 3.377 127 1HB LEU 18 1HB LEU 18 3.006 7.888 4.681 128 2HB LEU 18 2HB LEU 18 4.583 7.269 5.128 129 HG LEU 18 HG LEU 18 3.795 10.192 5.264 130 1HD1 LEU 18 1HD1 LEU 18 3.322 7.959 7.115 131 2HD1 LEU 18 2HD1 LEU 18 4.123 9.366 7.855 132 3HD1 LEU 18 3HD1 LEU 18 2.562 9.566 7.024 133 1HD2 LEU 18 1HD2 LEU 18 6.113 10.173 5.081 134 2HD2 LEU 18 2HD2 LEU 18 5.843 10.193 6.840 135 3HD2 LEU 18 3HD2 LEU 18 6.279 8.673 6.025 136 H PHE 19 H PHE 19 2.682 6.744 2.597 137 HA PHE 19 HA PHE 19 3.952 4.427 2.128 138 1HB PHE 19 1HB PHE 19 1.751 5.851 0.518 139 2HB PHE 19 2HB PHE 19 2.082 4.138 0.360 140 HD1 PHE 19 HD1 PHE 19 -0.492 5.647 1.286 141 HD2 PHE 19 HD2 PHE 19 2.638 3.667 3.356 142 HE1 PHE 19 HE1 PHE 19 -2.055 5.168 3.191 143 HE2 PHE 19 HE2 PHE 19 1.075 3.188 5.261 144 HZ PHE 19 HZ PHE 19 -1.252 3.945 5.156 145 H ASP 20 H ASP 20 3.682 7.212 -0.160 146 HA ASP 20 HA ASP 20 5.134 5.765 -2.143 147 1HB ASP 20 1HB ASP 20 3.366 7.924 -2.148 148 2HB ASP 20 2HB ASP 20 4.906 8.711 -2.433 149 H LYS 21 H LYS 21 7.296 5.416 -1.441 150 HA LYS 21 HA LYS 21 8.717 7.481 -0.058 151 1HB LYS 21 1HB LYS 21 9.860 4.930 -1.212 152 2HB LYS 21 2HB LYS 21 10.479 5.891 0.116 153 1HG LYS 21 1HG LYS 21 7.780 4.458 0.147 154 2HG LYS 21 2HG LYS 21 9.247 3.809 0.853 155 1HD LYS 21 1HD LYS 21 9.383 5.631 2.462 156 2HD LYS 21 2HD LYS 21 8.121 6.531 1.645 157 1HE LYS 21 1HE LYS 21 6.503 4.651 2.169 158 2HE LYS 21 2HE LYS 21 7.772 3.853 3.076 159 1HZ LYS 21 1HZ LYS 21 6.090 5.822 3.968 160 2HZ LYS 21 2HZ LYS 21 7.351 5.166 4.772 161 3HZ LYS 21 3HZ LYS 21 7.563 6.523 3.888 162 H ASP 22 H ASP 22 9.011 5.858 -3.296 163 HA ASP 22 HA ASP 22 11.061 7.400 -4.214 164 1HB ASP 22 1HB ASP 22 10.017 6.894 -6.527 165 2HB ASP 22 2HB ASP 22 10.441 5.521 -5.524 166 H GLY 23 H GLY 23 7.468 7.874 -4.398 167 1HA GLY 23 1HA GLY 23 6.289 9.819 -4.454 168 2HA GLY 23 2HA GLY 23 7.781 10.737 -4.511 169 H ASP 24 H ASP 24 6.759 8.060 -6.714 170 HA ASP 24 HA ASP 24 6.999 9.987 -8.878 171 1HB ASP 24 1HB ASP 24 7.196 7.910 -10.322 172 2HB ASP 24 2HB ASP 24 8.494 8.113 -9.163 173 H GLY 25 H GLY 25 4.796 8.125 -6.972 174 1HA GLY 25 1HA GLY 25 2.451 8.650 -7.285 175 2HA GLY 25 2HA GLY 25 2.677 8.448 -9.011 176 H THR 26 H THR 26 4.659 6.168 -7.491 177 HA THR 26 HA THR 26 2.515 4.171 -7.322 178 HB THR 26 HB THR 26 4.298 2.668 -8.569 179 HG1 THR 26 HG1 THR 26 4.911 5.432 -9.348 180 1HG2 THR 26 1HG2 THR 26 3.429 4.689 -10.556 181 2HG2 THR 26 2HG2 THR 26 3.045 2.953 -10.475 182 3HG2 THR 26 3HG2 THR 26 2.101 4.120 -9.517 183 H ILE 27 H ILE 27 2.716 2.694 -5.700 184 HA ILE 27 HA ILE 27 4.944 3.198 -3.891 185 HB ILE 27 HB ILE 27 2.187 2.084 -3.635 186 1HG1 ILE 27 1HG1 ILE 27 2.369 3.588 -1.541 187 2HG1 ILE 27 2HG1 ILE 27 3.837 4.210 -2.269 188 1HG2 ILE 27 1HG2 ILE 27 4.548 1.080 -2.202 189 2HG2 ILE 27 2HG2 ILE 27 3.231 1.639 -1.142 190 3HG2 ILE 27 3HG2 ILE 27 2.916 0.388 -2.369 191 1HD1 ILE 27 1HD1 ILE 27 2.711 5.254 -4.010 192 2HD1 ILE 27 2HD1 ILE 27 1.405 4.045 -4.030 193 3HD1 ILE 27 3HD1 ILE 27 1.433 5.304 -2.772 194 H THR 28 H THR 28 6.611 2.147 -5.122 195 HA THR 28 HA THR 28 6.464 -0.386 -6.192 196 HB THR 28 HB THR 28 8.789 1.111 -4.872 197 HG1 THR 28 HG1 THR 28 8.042 2.296 -6.645 198 1HG2 THR 28 1HG2 THR 28 8.617 -1.470 -6.361 199 2HG2 THR 28 2HG2 THR 28 9.786 -0.307 -7.031 200 3HG2 THR 28 3HG2 THR 28 9.932 -0.842 -5.339 201 H THR 29 H THR 29 7.173 -2.476 -5.483 202 HA THR 29 HA THR 29 6.035 -3.300 -3.120 203 HB THR 29 HB THR 29 7.200 -5.405 -3.607 204 HG1 THR 29 HG1 THR 29 9.007 -5.186 -5.213 205 1HG2 THR 29 1HG2 THR 29 5.734 -4.038 -5.578 206 2HG2 THR 29 2HG2 THR 29 7.242 -4.480 -6.415 207 3HG2 THR 29 3HG2 THR 29 6.238 -5.743 -5.663 208 H LYS 30 H LYS 30 9.507 -2.487 -3.738 209 HA LYS 30 HA LYS 30 10.370 -3.083 -1.163 210 1HB LYS 30 1HB LYS 30 12.382 -2.042 -1.774 211 2HB LYS 30 2HB LYS 30 11.740 -2.687 -3.271 212 1HG LYS 30 1HG LYS 30 10.625 -0.314 -3.548 213 2HG LYS 30 2HG LYS 30 11.773 0.199 -2.328 214 1HD LYS 30 1HD LYS 30 12.720 -1.351 -4.762 215 2HD LYS 30 2HD LYS 30 12.441 0.376 -4.869 216 1HE LYS 30 1HE LYS 30 13.975 -0.235 -2.458 217 2HE LYS 30 2HE LYS 30 14.758 -0.940 -3.858 218 1HZ LYS 30 1HZ LYS 30 15.080 1.557 -3.176 219 2HZ LYS 30 2HZ LYS 30 15.151 1.075 -4.734 220 3HZ LYS 30 3HZ LYS 30 13.788 1.761 -4.153 221 H GLU 31 H GLU 31 8.743 -0.225 -2.545 222 HA GLU 31 HA GLU 31 9.286 1.424 -0.339 223 1HB GLU 31 1HB GLU 31 7.178 1.561 -2.534 224 2HB GLU 31 2HB GLU 31 7.393 2.822 -1.337 225 1HG GLU 31 1HG GLU 31 9.749 3.140 -2.056 226 2HG GLU 31 2HG GLU 31 9.595 1.828 -3.207 227 H LEU 32 H LEU 32 6.810 -1.002 -1.120 228 HA LEU 32 HA LEU 32 4.884 -0.210 0.741 229 1HB LEU 32 1HB LEU 32 4.219 -1.679 -0.938 230 2HB LEU 32 2HB LEU 32 5.559 -2.774 -0.660 231 HG LEU 32 HG LEU 32 4.499 -3.313 1.593 232 1HD1 LEU 32 1HD1 LEU 32 2.240 -2.776 2.020 233 2HD1 LEU 32 2HD1 LEU 32 3.023 -1.249 1.545 234 3HD1 LEU 32 3HD1 LEU 32 1.999 -2.125 0.381 235 1HD2 LEU 32 1HD2 LEU 32 4.335 -4.576 -0.718 236 2HD2 LEU 32 2HD2 LEU 32 3.382 -5.097 0.692 237 3HD2 LEU 32 3HD2 LEU 32 2.619 -4.123 -0.587 238 H GLY 33 H GLY 33 7.692 -2.479 0.984 239 1HA GLY 33 1HA GLY 33 7.184 -3.136 3.711 240 2HA GLY 33 2HA GLY 33 8.633 -3.468 2.783 241 H THR 34 H THR 34 8.626 -0.394 2.064 242 HA THR 34 HA THR 34 10.446 0.332 4.124 243 HB THR 34 HB THR 34 9.147 1.883 1.823 244 HG1 THR 34 HG1 THR 34 10.549 0.464 0.845 245 1HG2 THR 34 1HG2 THR 34 11.830 2.714 2.497 246 2HG2 THR 34 2HG2 THR 34 10.346 3.698 2.517 247 3HG2 THR 34 3HG2 THR 34 10.842 2.806 3.975 248 H VAL 35 H VAL 35 7.098 1.397 3.260 249 HA VAL 35 HA VAL 35 6.956 3.209 5.422 250 HB VAL 35 HB VAL 35 5.634 3.271 3.308 251 1HG1 VAL 35 1HG1 VAL 35 4.154 0.961 4.607 252 2HG1 VAL 35 2HG1 VAL 35 3.545 1.902 3.224 253 3HG1 VAL 35 3HG1 VAL 35 5.037 0.945 3.062 254 1HG2 VAL 35 1HG2 VAL 35 4.881 3.979 5.932 255 2HG2 VAL 35 2HG2 VAL 35 4.282 4.667 4.403 256 3HG2 VAL 35 3HG2 VAL 35 3.420 3.310 5.167 257 H MET 36 H MET 36 5.910 -0.210 4.911 258 HA MET 36 HA MET 36 4.519 -0.533 7.228 259 1HB MET 36 1HB MET 36 6.346 -2.442 5.675 260 2HB MET 36 2HB MET 36 5.305 -2.993 6.972 261 1HG MET 36 1HG MET 36 4.225 -1.431 4.585 262 2HG MET 36 2HG MET 36 4.362 -3.177 4.569 263 1HE MET 36 1HE MET 36 2.033 -4.477 5.083 264 2HE MET 36 2HE MET 36 0.693 -3.310 5.190 265 3HE MET 36 3HE MET 36 1.960 -3.099 3.959 266 H ARG 37 H ARG 37 8.021 -1.387 6.690 267 HA ARG 37 HA ARG 37 8.483 -1.980 9.343 268 1HB ARG 37 1HB ARG 37 10.907 -1.772 8.724 269 2HB ARG 37 2HB ARG 37 10.004 -2.699 7.543 270 1HG ARG 37 1HG ARG 37 11.046 -1.280 6.058 271 2HG ARG 37 2HG ARG 37 9.690 -0.238 6.441 272 1HD ARG 37 1HD ARG 37 11.016 0.956 8.141 273 2HD ARG 37 2HD ARG 37 12.349 -0.165 7.947 274 HE ARG 37 HE ARG 37 12.056 0.760 5.391 275 1HH1 ARG 37 2HH2 ARG 37 12.243 2.441 8.477 276 2HH1 ARG 37 1HH2 ARG 37 12.957 3.867 7.802 277 1HH2 ARG 37 2HH1 ARG 37 12.998 2.642 4.500 278 2HH2 ARG 37 1HH1 ARG 37 13.390 3.982 5.524 279 H SER 38 H SER 38 8.444 1.080 7.531 280 HA SER 38 HA SER 38 9.970 2.626 9.197 281 1HB SER 38 1HB SER 38 8.026 3.020 7.062 282 2HB SER 38 2HB SER 38 7.814 4.250 8.293 283 HG SER 38 HG SER 38 9.728 4.111 6.388 284 H LEU 39 H LEU 39 6.641 1.406 9.524 285 HA LEU 39 HA LEU 39 5.843 3.189 11.558 286 1HB LEU 39 1HB LEU 39 4.864 0.517 10.584 287 2HB LEU 39 2HB LEU 39 4.141 1.308 11.971 288 HG LEU 39 HG LEU 39 4.348 2.582 9.231 289 1HD1 LEU 39 1HD1 LEU 39 2.910 0.396 9.553 290 2HD1 LEU 39 2HD1 LEU 39 1.764 1.530 10.310 291 3HD1 LEU 39 3HD1 LEU 39 2.288 1.784 8.628 292 1HD2 LEU 39 1HD2 LEU 39 2.563 4.077 10.142 293 2HD2 LEU 39 2HD2 LEU 39 2.836 3.343 11.740 294 3HD2 LEU 39 3HD2 LEU 39 4.146 4.244 10.939 295 H GLY 40 H GLY 40 7.642 0.107 11.479 296 1HA GLY 40 1HA GLY 40 9.082 0.389 13.726 297 2HA GLY 40 2HA GLY 40 7.553 -0.183 14.362 298 H GLN 41 H GLN 41 6.985 -1.705 11.761 299 HA GLN 41 HA GLN 41 8.125 -4.117 12.620 300 1HB GLN 41 1HB GLN 41 6.623 -3.392 10.067 301 2HB GLN 41 2HB GLN 41 7.041 -5.033 10.520 302 1HG GLN 41 1HG GLN 41 5.766 -3.675 12.770 303 2HG GLN 41 2HG GLN 41 4.757 -3.541 11.343 304 1HE2 GLN 41 1HE2 GLN 41 5.128 -5.275 13.983 305 2HE2 GLN 41 2HE2 GLN 41 4.658 -6.863 13.474 306 H ASN 42 H ASN 42 8.923 -5.541 10.378 307 HA ASN 42 HA ASN 42 10.747 -4.079 8.819 308 1HB ASN 42 1HB ASN 42 11.771 -4.609 11.320 309 2HB ASN 42 2HB ASN 42 12.230 -6.084 10.493 310 1HD2 ASN 42 1HD2 ASN 42 12.160 -2.559 10.001 311 2HD2 ASN 42 2HD2 ASN 42 13.695 -2.414 9.212 312 HA PRO 43 HA PRO 43 9.396 -8.355 7.647 313 1HB PRO 43 1HB PRO 43 7.585 -7.745 5.692 314 2HB PRO 43 2HB PRO 43 7.128 -8.087 7.349 315 1HG PRO 43 1HG PRO 43 7.236 -5.482 5.957 316 2HG PRO 43 2HG PRO 43 6.397 -5.901 7.437 317 1HD PRO 43 1HD PRO 43 8.854 -4.439 7.212 318 2HD PRO 43 2HD PRO 43 8.076 -4.959 8.694 319 H THR 44 H THR 44 9.255 -9.344 5.258 320 HA THR 44 HA THR 44 11.623 -8.168 3.976 321 HB THR 44 HB THR 44 11.549 -10.582 2.895 322 HG1 THR 44 HG1 THR 44 9.297 -10.774 3.900 323 1HG2 THR 44 1HG2 THR 44 13.141 -11.136 4.444 324 2HG2 THR 44 2HG2 THR 44 12.760 -9.600 5.259 325 3HG2 THR 44 3HG2 THR 44 11.945 -11.100 5.762 326 H GLU 45 H GLU 45 11.706 -7.847 1.711 327 HA GLU 45 HA GLU 45 9.293 -6.861 0.704 328 1HB GLU 45 1HB GLU 45 10.600 -6.398 -1.343 329 2HB GLU 45 2HB GLU 45 11.485 -5.914 0.090 330 1HG GLU 45 1HG GLU 45 12.040 -8.716 -0.599 331 2HG GLU 45 2HG GLU 45 12.388 -7.654 -1.949 332 H ALA 46 H ALA 46 10.731 -10.027 0.753 333 HA ALA 46 HA ALA 46 9.616 -11.010 -1.655 334 1HB ALA 46 1HB ALA 46 10.583 -12.376 0.889 335 2HB ALA 46 2HB ALA 46 10.173 -13.223 -0.622 336 3HB ALA 46 3HB ALA 46 11.531 -12.073 -0.587 337 H GLU 47 H GLU 47 8.680 -11.453 1.835 338 HA GLU 47 HA GLU 47 6.374 -12.813 1.354 339 1HB GLU 47 1HB GLU 47 7.142 -10.893 3.584 340 2HB GLU 47 2HB GLU 47 5.639 -11.793 3.615 341 1HG GLU 47 1HG GLU 47 8.079 -13.413 3.011 342 2HG GLU 47 2HG GLU 47 8.015 -12.734 4.625 343 H LEU 48 H LEU 48 6.943 -9.251 1.464 344 HA LEU 48 HA LEU 48 4.200 -8.612 1.118 345 1HB LEU 48 1HB LEU 48 6.793 -7.115 1.048 346 2HB LEU 48 2HB LEU 48 5.332 -6.348 0.456 347 HG LEU 48 HG LEU 48 5.872 -5.791 2.809 348 1HD1 LEU 48 1HD1 LEU 48 3.696 -5.332 2.773 349 2HD1 LEU 48 2HD1 LEU 48 3.328 -6.772 1.794 350 3HD1 LEU 48 3HD1 LEU 48 3.441 -6.905 3.565 351 1HD2 LEU 48 1HD2 LEU 48 6.626 -8.334 3.152 352 2HD2 LEU 48 2HD2 LEU 48 6.101 -7.290 4.495 353 3HD2 LEU 48 3HD2 LEU 48 4.962 -8.453 3.774 354 H GLN 49 H GLN 49 6.748 -9.729 -0.971 355 HA GLN 49 HA GLN 49 6.031 -8.482 -3.317 356 1HB GLN 49 1HB GLN 49 8.075 -9.981 -2.767 357 2HB GLN 49 2HB GLN 49 7.041 -11.345 -3.145 358 1HG GLN 49 1HG GLN 49 6.627 -10.445 -5.417 359 2HG GLN 49 2HG GLN 49 7.563 -9.010 -5.047 360 1HE2 GLN 49 1HE2 GLN 49 8.102 -10.700 -7.183 361 2HE2 GLN 49 2HE2 GLN 49 9.636 -11.473 -6.959 362 H ASP 50 H ASP 50 4.666 -11.325 -1.626 363 HA ASP 50 HA ASP 50 3.100 -12.150 -3.805 364 1HB ASP 50 1HB ASP 50 3.665 -13.691 -1.986 365 2HB ASP 50 2HB ASP 50 2.906 -12.647 -0.801 366 H MET 51 H MET 51 2.820 -9.784 -1.171 367 HA MET 51 HA MET 51 0.019 -9.559 -1.246 368 1HB MET 51 1HB MET 51 2.362 -8.036 -0.091 369 2HB MET 51 2HB MET 51 0.842 -7.170 -0.204 370 1HG MET 51 1HG MET 51 0.812 -9.955 0.973 371 2HG MET 51 2HG MET 51 1.442 -8.647 1.955 372 1HE MET 51 1HE MET 51 0.258 -8.330 3.583 373 2HE MET 51 2HE MET 51 -0.734 -6.871 3.349 374 3HE MET 51 3HE MET 51 -1.508 -8.412 3.790 375 H ILE 52 H ILE 52 2.655 -7.337 -2.428 376 HA ILE 52 HA ILE 52 1.067 -5.511 -3.686 377 HB ILE 52 HB ILE 52 3.023 -5.000 -5.054 378 1HG1 ILE 52 1HG1 ILE 52 5.084 -6.584 -4.271 379 2HG1 ILE 52 2HG1 ILE 52 3.791 -7.766 -4.306 380 1HG2 ILE 52 1HG2 ILE 52 3.270 -3.924 -3.065 381 2HG2 ILE 52 2HG2 ILE 52 3.200 -5.424 -2.110 382 3HG2 ILE 52 3HG2 ILE 52 4.692 -4.992 -2.979 383 1HD1 ILE 52 1HD1 ILE 52 4.306 -5.841 -6.612 384 2HD1 ILE 52 2HD1 ILE 52 5.056 -7.452 -6.507 385 3HD1 ILE 52 3HD1 ILE 52 3.286 -7.300 -6.620 386 H ASN 53 H ASN 53 2.238 -8.697 -4.902 387 HA ASN 53 HA ASN 53 1.233 -8.346 -7.468 388 1HB ASN 53 1HB ASN 53 2.843 -10.191 -6.357 389 2HB ASN 53 2HB ASN 53 1.345 -11.082 -6.165 390 1HD2 ASN 53 1HD2 ASN 53 1.883 -12.664 -7.606 391 2HD2 ASN 53 2HD2 ASN 53 1.959 -12.433 -9.321 392 H GLU 54 H GLU 54 -0.138 -9.428 -4.352 393 HA GLU 54 HA GLU 54 -2.430 -10.625 -5.451 394 1HB GLU 54 1HB GLU 54 -1.704 -11.265 -3.235 395 2HB GLU 54 2HB GLU 54 -1.744 -9.608 -2.666 396 1HG GLU 54 1HG GLU 54 -3.893 -9.904 -2.018 397 2HG GLU 54 2HG GLU 54 -4.352 -10.126 -3.695 398 H VAL 55 H VAL 55 -1.929 -7.482 -3.680 399 HA VAL 55 HA VAL 55 -4.498 -6.519 -4.109 400 HB VAL 55 HB VAL 55 -3.680 -4.478 -3.320 401 1HG1 VAL 55 1HG1 VAL 55 -2.544 -5.057 -1.352 402 2HG1 VAL 55 2HG1 VAL 55 -3.365 -6.563 -1.827 403 3HG1 VAL 55 3HG1 VAL 55 -1.626 -6.357 -2.149 404 1HG2 VAL 55 1HG2 VAL 55 -1.327 -3.784 -3.390 405 2HG2 VAL 55 2HG2 VAL 55 -0.897 -5.298 -4.222 406 3HG2 VAL 55 3HG2 VAL 55 -1.949 -4.109 -5.026 407 H ASP 56 H ASP 56 -1.468 -6.179 -6.051 408 HA ASP 56 HA ASP 56 -2.259 -4.387 -7.867 409 1HB ASP 56 1HB ASP 56 -0.037 -5.423 -7.886 410 2HB ASP 56 2HB ASP 56 -0.718 -6.986 -8.293 411 H ALA 57 H ALA 57 -4.385 -4.395 -8.707 412 HA ALA 57 HA ALA 57 -5.397 -6.933 -9.757 413 1HB ALA 57 1HB ALA 57 -7.557 -5.499 -9.853 414 2HB ALA 57 2HB ALA 57 -6.948 -5.983 -8.253 415 3HB ALA 57 3HB ALA 57 -6.659 -4.333 -8.853 416 H ASP 58 H ASP 58 -5.250 -3.399 -10.619 417 HA ASP 58 HA ASP 58 -6.085 -3.455 -13.114 418 1HB ASP 58 1HB ASP 58 -4.852 -1.476 -13.481 419 2HB ASP 58 2HB ASP 58 -4.970 -1.545 -11.734 420 H GLY 59 H GLY 59 -3.018 -4.779 -11.843 421 1HA GLY 59 1HA GLY 59 -1.989 -6.615 -12.937 422 2HA GLY 59 2HA GLY 59 -2.471 -5.958 -14.489 423 H ASP 60 H ASP 60 0.123 -6.333 -12.376 424 HA ASP 60 HA ASP 60 1.957 -5.153 -13.896 425 1HB ASP 60 1HB ASP 60 1.416 -2.918 -13.728 426 2HB ASP 60 2HB ASP 60 0.522 -3.140 -12.237 427 H GLY 61 H GLY 61 1.313 -4.324 -10.407 428 1HA GLY 61 1HA GLY 61 2.236 -6.352 -8.984 429 2HA GLY 61 2HA GLY 61 3.746 -5.735 -9.626 430 H THR 62 H THR 62 3.201 -2.931 -9.695 431 HA THR 62 HA THR 62 3.802 -2.225 -7.060 432 HB THR 62 HB THR 62 2.648 -0.401 -9.220 433 HG1 THR 62 HG1 THR 62 4.791 -0.572 -10.126 434 1HG2 THR 62 1HG2 THR 62 3.309 1.056 -7.524 435 2HG2 THR 62 2HG2 THR 62 4.434 -0.126 -6.814 436 3HG2 THR 62 3HG2 THR 62 4.904 0.790 -8.266 437 H ILE 63 H ILE 63 2.496 -0.401 -5.883 438 HA ILE 63 HA ILE 63 -0.275 -1.368 -5.744 439 HB ILE 63 HB ILE 63 1.443 -0.267 -3.518 440 1HG1 ILE 63 1HG1 ILE 63 0.877 -3.064 -4.442 441 2HG1 ILE 63 2HG1 ILE 63 2.382 -2.351 -3.895 442 1HG2 ILE 63 1HG2 ILE 63 -0.941 0.228 -3.246 443 2HG2 ILE 63 2HG2 ILE 63 -1.326 -1.498 -3.454 444 3HG2 ILE 63 3HG2 ILE 63 -0.376 -0.962 -2.048 445 1HD1 ILE 63 1HD1 ILE 63 -0.036 -2.946 -2.127 446 2HD1 ILE 63 2HD1 ILE 63 1.470 -3.892 -2.188 447 3HD1 ILE 63 3HD1 ILE 63 1.492 -2.223 -1.571 448 H ASP 64 H ASP 64 -1.592 0.066 -6.735 449 HA ASP 64 HA ASP 64 -0.779 2.790 -6.912 450 1HB ASP 64 1HB ASP 64 -3.396 1.437 -7.723 451 2HB ASP 64 2HB ASP 64 -2.912 3.055 -8.189 452 H PHE 65 H PHE 65 -3.179 4.233 -6.679 453 HA PHE 65 HA PHE 65 -3.476 4.375 -3.865 454 1HB PHE 65 1HB PHE 65 -3.661 6.124 -5.912 455 2HB PHE 65 2HB PHE 65 -5.335 5.607 -5.950 456 HD1 PHE 65 HD1 PHE 65 -2.807 6.763 -3.448 457 HD2 PHE 65 HD2 PHE 65 -6.849 6.847 -4.738 458 HE1 PHE 65 HE1 PHE 65 -3.354 8.402 -1.628 459 HE2 PHE 65 HE2 PHE 65 -7.396 8.486 -2.918 460 HZ PHE 65 HZ PHE 65 -5.642 9.244 -1.385 461 HA PRO 66 HA PRO 66 -7.741 2.597 -4.948 462 1HB PRO 66 1HB PRO 66 -8.124 1.407 -7.378 463 2HB PRO 66 2HB PRO 66 -8.576 3.066 -7.042 464 1HG PRO 66 1HG PRO 66 -6.279 2.051 -8.601 465 2HG PRO 66 2HG PRO 66 -6.985 3.655 -8.604 466 1HD PRO 66 1HD PRO 66 -4.553 2.854 -7.311 467 2HD PRO 66 2HD PRO 66 -5.320 4.427 -7.219 468 H GLU 67 H GLU 67 -4.868 1.018 -5.966 469 HA GLU 67 HA GLU 67 -5.880 -1.577 -5.593 470 1HB GLU 67 1HB GLU 67 -3.042 -0.474 -5.691 471 2HB GLU 67 2HB GLU 67 -3.397 -2.186 -5.583 472 1HG GLU 67 1HG GLU 67 -4.779 -1.993 -7.693 473 2HG GLU 67 2HG GLU 67 -4.309 -0.309 -7.815 474 H PHE 68 H PHE 68 -3.707 0.553 -3.600 475 HA PHE 68 HA PHE 68 -3.531 -1.203 -1.447 476 1HB PHE 68 1HB PHE 68 -2.366 1.127 -2.216 477 2HB PHE 68 2HB PHE 68 -3.585 1.831 -1.173 478 HD1 PHE 68 HD1 PHE 68 -2.320 2.651 0.613 479 HD2 PHE 68 HD2 PHE 68 -1.734 -1.353 -0.667 480 HE1 PHE 68 HE1 PHE 68 -0.857 2.227 2.608 481 HE2 PHE 68 HE2 PHE 68 -0.271 -1.776 1.328 482 HZ PHE 68 HZ PHE 68 0.150 0.019 2.941 483 H LEU 69 H LEU 69 -5.851 1.452 -2.211 484 HA LEU 69 HA LEU 69 -7.128 1.718 0.161 485 1HB LEU 69 1HB LEU 69 -7.495 2.596 -2.383 486 2HB LEU 69 2HB LEU 69 -8.891 1.552 -2.199 487 HG LEU 69 HG LEU 69 -8.166 3.856 -0.367 488 1HD1 LEU 69 1HD1 LEU 69 -9.153 4.081 -2.887 489 2HD1 LEU 69 2HD1 LEU 69 -10.658 3.954 -1.946 490 3HD1 LEU 69 3HD1 LEU 69 -9.477 5.231 -1.567 491 1HD2 LEU 69 1HD2 LEU 69 -9.780 3.242 1.055 492 2HD2 LEU 69 2HD2 LEU 69 -10.893 2.777 -0.254 493 3HD2 LEU 69 3HD2 LEU 69 -9.641 1.638 0.295 494 H THR 70 H THR 70 -7.819 -0.778 -2.381 495 HA THR 70 HA THR 70 -9.811 -2.075 -0.872 496 HB THR 70 HB THR 70 -8.001 -2.908 -3.194 497 HG1 THR 70 HG1 THR 70 -9.787 -2.087 -4.313 498 1HG2 THR 70 1HG2 THR 70 -8.781 -5.032 -2.560 499 2HG2 THR 70 2HG2 THR 70 -10.207 -4.367 -1.728 500 3HG2 THR 70 3HG2 THR 70 -10.177 -4.461 -3.506 501 H MET 71 H MET 71 -6.287 -2.785 -1.303 502 HA MET 71 HA MET 71 -6.105 -5.056 0.076 503 1HB MET 71 1HB MET 71 -4.153 -3.978 -0.937 504 2HB MET 71 2HB MET 71 -4.306 -2.579 0.108 505 1HG MET 71 1HG MET 71 -4.020 -5.177 1.549 506 2HG MET 71 2HG MET 71 -2.623 -4.713 0.599 507 1HE MET 71 1HE MET 71 -1.367 -3.554 3.988 508 2HE MET 71 2HE MET 71 -1.747 -5.017 3.047 509 3HE MET 71 3HE MET 71 -0.742 -3.734 2.331 510 H MET 72 H MET 72 -5.754 -1.772 1.618 511 HA MET 72 HA MET 72 -5.637 -2.700 4.193 512 1HB MET 72 1HB MET 72 -6.034 -0.162 2.766 513 2HB MET 72 2HB MET 72 -7.005 -0.184 4.225 514 1HG MET 72 1HG MET 72 -4.031 -0.884 4.182 515 2HG MET 72 2HG MET 72 -4.635 0.725 4.521 516 1HE MET 72 1HE MET 72 -6.632 0.890 7.097 517 2HE MET 72 2HE MET 72 -5.070 0.898 7.951 518 3HE MET 72 3HE MET 72 -5.192 1.583 6.313 519 H ALA 73 H ALA 73 -8.533 -1.307 2.476 520 HA ALA 73 HA ALA 73 -10.406 -1.611 4.383 521 1HB ALA 73 1HB ALA 73 -11.972 -2.085 2.392 522 2HB ALA 73 2HB ALA 73 -10.991 -0.601 2.316 523 3HB ALA 73 3HB ALA 73 -10.507 -2.037 1.382 524 H ARG 74 H ARG 74 -9.525 -4.169 1.948 525 HA ARG 74 HA ARG 74 -11.129 -6.093 3.081 526 1HB ARG 74 1HB ARG 74 -8.511 -6.462 1.537 527 2HB ARG 74 2HB ARG 74 -9.716 -7.711 1.781 528 1HG ARG 74 1HG ARG 74 -11.262 -5.649 0.749 529 2HG ARG 74 2HG ARG 74 -9.743 -5.397 -0.088 530 1HD ARG 74 1HD ARG 74 -10.588 -6.971 -1.540 531 2HD ARG 74 2HD ARG 74 -9.944 -8.105 -0.370 532 HE ARG 74 HE ARG 74 -12.455 -7.567 0.640 533 1HH1 ARG 74 2HH2 ARG 74 -11.297 -8.580 -2.525 534 2HH1 ARG 74 1HH2 ARG 74 -12.746 -9.443 -2.920 535 1HH2 ARG 74 2HH1 ARG 74 -14.367 -8.706 0.119 536 2HH2 ARG 74 1HH1 ARG 74 -14.504 -9.515 -1.407 537 H LYS 75 H LYS 75 -7.702 -5.156 3.680 538 HA LYS 75 HA LYS 75 -6.752 -7.202 5.132 539 1HB LYS 75 1HB LYS 75 -5.810 -4.809 4.552 540 2HB LYS 75 2HB LYS 75 -6.355 -4.413 6.169 541 1HG LYS 75 1HG LYS 75 -4.081 -5.148 6.410 542 2HG LYS 75 2HG LYS 75 -5.071 -6.464 7.009 543 1HD LYS 75 1HD LYS 75 -4.427 -6.543 4.083 544 2HD LYS 75 2HD LYS 75 -3.074 -6.793 5.168 545 1HE LYS 75 1HE LYS 75 -5.386 -8.324 6.092 546 2HE LYS 75 2HE LYS 75 -5.055 -8.697 4.412 547 1HZ LYS 75 1HZ LYS 75 -3.015 -8.724 6.527 548 2HZ LYS 75 2HZ LYS 75 -3.795 -10.052 5.983 549 3HZ LYS 75 3HZ LYS 75 -2.817 -9.212 4.981 550 H MET 76 H MET 76 -8.829 -4.525 6.435 551 HA MET 76 HA MET 76 -8.945 -5.516 8.998 552 1HB MET 76 1HB MET 76 -10.792 -3.797 7.282 553 2HB MET 76 2HB MET 76 -11.244 -4.187 8.929 554 1HG MET 76 1HG MET 76 -8.491 -3.336 8.979 555 2HG MET 76 2HG MET 76 -9.376 -2.176 8.008 556 1HE MET 76 1HE MET 76 -9.330 -2.626 12.446 557 2HE MET 76 2HE MET 76 -9.710 -4.144 11.597 558 3HE MET 76 3HE MET 76 -8.232 -3.240 11.187 559 H LYS 77 H LYS 77 -11.014 -6.184 6.119 560 HA LYS 77 HA LYS 77 -12.963 -7.663 7.455 561 1HB LYS 77 1HB LYS 77 -12.475 -6.797 4.857 562 2HB LYS 77 2HB LYS 77 -12.409 -8.542 4.720 563 1HG LYS 77 1HG LYS 77 -14.653 -8.758 5.050 564 2HG LYS 77 2HG LYS 77 -14.628 -7.706 6.452 565 1HD LYS 77 1HD LYS 77 -14.172 -6.143 4.027 566 2HD LYS 77 2HD LYS 77 -15.630 -7.100 3.856 567 1HE LYS 77 1HE LYS 77 -15.995 -6.180 6.407 568 2HE LYS 77 2HE LYS 77 -15.038 -4.862 5.760 569 1HZ LYS 77 1HZ LYS 77 -16.605 -4.615 3.998 570 2HZ LYS 77 2HZ LYS 77 -17.459 -5.922 4.476 571 3HZ LYS 77 3HZ LYS 77 -17.417 -4.586 5.414 572 H ASP 78 H ASP 78 -10.095 -8.835 5.546 573 HA ASP 78 HA ASP 78 -10.383 -11.461 6.082 574 1HB ASP 78 1HB ASP 78 -8.346 -9.720 5.082 575 2HB ASP 78 2HB ASP 78 -7.569 -10.723 6.291 576 H THR 79 H THR 79 -8.208 -9.123 7.861 577 HA THR 79 HA THR 79 -7.592 -10.882 9.953 578 HB THR 79 HB THR 79 -6.461 -8.666 9.128 579 HG1 THR 79 HG1 THR 79 -5.457 -9.008 11.077 580 1HG2 THR 79 1HG2 THR 79 -8.102 -7.446 11.367 581 2HG2 THR 79 2HG2 THR 79 -7.159 -6.628 10.098 582 3HG2 THR 79 3HG2 THR 79 -8.727 -7.373 9.701 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -21.090 6.813 -0.761 2 HA ALA 1 HA ALA 1 -18.940 7.083 -2.033 3 1HB ALA 1 1HB ALA 1 -17.415 8.409 -1.054 4 2HB ALA 1 2HB ALA 1 -18.431 8.546 0.402 5 3HB ALA 1 3HB ALA 1 -17.256 7.217 0.259 6 H ASP 2 H ASP 2 -19.667 5.845 1.288 7 HA ASP 2 HA ASP 2 -20.040 3.297 0.644 8 1HB ASP 2 1HB ASP 2 -17.298 3.888 0.162 9 2HB ASP 2 2HB ASP 2 -17.313 2.982 1.662 10 H GLN 3 H GLN 3 -18.798 5.805 2.736 11 HA GLN 3 HA GLN 3 -19.175 6.195 4.858 12 1HB GLN 3 1HB GLN 3 -20.335 3.382 5.078 13 2HB GLN 3 2HB GLN 3 -20.439 4.622 6.312 14 1HG GLN 3 1HG GLN 3 -21.423 5.996 4.133 15 2HG GLN 3 2HG GLN 3 -21.944 4.368 3.747 16 1HE2 GLN 3 1HE2 GLN 3 -23.972 5.806 4.068 17 2HE2 GLN 3 2HE2 GLN 3 -24.733 5.708 5.621 18 H LEU 4 H LEU 4 -16.668 5.448 3.921 19 HA LEU 4 HA LEU 4 -15.291 4.866 6.212 20 1HB LEU 4 1HB LEU 4 -15.994 2.702 6.442 21 2HB LEU 4 2HB LEU 4 -16.138 2.433 4.717 22 HG LEU 4 HG LEU 4 -14.333 1.112 5.748 23 1HD1 LEU 4 1HD1 LEU 4 -14.292 2.403 3.348 24 2HD1 LEU 4 2HD1 LEU 4 -12.744 2.927 4.055 25 3HD1 LEU 4 3HD1 LEU 4 -13.098 1.192 3.876 26 1HD2 LEU 4 1HD2 LEU 4 -13.275 2.133 7.448 27 2HD2 LEU 4 2HD2 LEU 4 -12.201 2.739 6.165 28 3HD2 LEU 4 3HD2 LEU 4 -13.525 3.761 6.774 29 H THR 5 H THR 5 -15.567 4.595 2.663 30 HA THR 5 HA THR 5 -12.759 4.724 2.203 31 HB THR 5 HB THR 5 -14.363 3.706 0.604 32 HG1 THR 5 HG1 THR 5 -12.385 4.891 -0.112 33 1HG2 THR 5 1HG2 THR 5 -15.910 5.101 -0.684 34 2HG2 THR 5 2HG2 THR 5 -16.280 5.341 1.040 35 3HG2 THR 5 3HG2 THR 5 -15.348 6.569 0.151 36 H GLU 6 H GLU 6 -15.400 7.126 2.495 37 HA GLU 6 HA GLU 6 -14.006 9.267 1.483 38 1HB GLU 6 1HB GLU 6 -16.495 9.069 2.155 39 2HB GLU 6 2HB GLU 6 -15.982 9.438 3.790 40 1HG GLU 6 1HG GLU 6 -15.261 11.624 3.219 41 2HG GLU 6 2HG GLU 6 -15.089 11.233 1.519 42 H GLU 7 H GLU 7 -14.290 8.089 4.906 43 HA GLU 7 HA GLU 7 -12.601 10.073 5.914 44 1HB GLU 7 1HB GLU 7 -12.535 8.603 7.953 45 2HB GLU 7 2HB GLU 7 -14.159 8.930 7.380 46 1HG GLU 7 1HG GLU 7 -14.453 6.747 6.529 47 2HG GLU 7 2HG GLU 7 -12.731 6.465 6.362 48 H GLN 8 H GLN 8 -12.072 6.842 4.501 49 HA GLN 8 HA GLN 8 -9.435 6.592 5.430 50 1HB GLN 8 1HB GLN 8 -11.113 5.222 3.321 51 2HB GLN 8 2HB GLN 8 -9.392 4.899 3.387 52 1HG GLN 8 1HG GLN 8 -11.177 4.684 5.848 53 2HG GLN 8 2HG GLN 8 -10.923 3.333 4.761 54 1HE2 GLN 8 1HE2 GLN 8 -9.202 2.093 4.993 55 2HE2 GLN 8 2HE2 GLN 8 -7.839 2.400 6.018 56 H ILE 9 H ILE 9 -10.793 7.363 2.139 57 HA ILE 9 HA ILE 9 -8.382 7.931 0.931 58 HB ILE 9 HB ILE 9 -9.657 9.004 -0.765 59 1HG1 ILE 9 1HG1 ILE 9 -12.315 9.040 0.242 60 2HG1 ILE 9 2HG1 ILE 9 -11.315 9.864 1.422 61 1HG2 ILE 9 1HG2 ILE 9 -10.420 7.019 -1.384 62 2HG2 ILE 9 2HG2 ILE 9 -10.287 6.447 0.296 63 3HG2 ILE 9 3HG2 ILE 9 -11.804 7.181 -0.277 64 1HD1 ILE 9 1HD1 ILE 9 -10.721 11.564 -0.044 65 2HD1 ILE 9 2HD1 ILE 9 -10.830 10.511 -1.475 66 3HD1 ILE 9 3HD1 ILE 9 -12.313 11.142 -0.719 67 H ALA 10 H ALA 10 -10.075 9.642 3.437 68 HA ALA 10 HA ALA 10 -9.139 12.239 2.849 69 1HB ALA 10 1HB ALA 10 -10.246 12.809 4.779 70 2HB ALA 10 2HB ALA 10 -10.997 11.218 4.510 71 3HB ALA 10 3HB ALA 10 -9.656 11.384 5.669 72 H GLU 11 H GLU 11 -8.067 9.811 5.343 73 HA GLU 11 HA GLU 11 -5.733 11.281 5.876 74 1HB GLU 11 1HB GLU 11 -6.892 8.643 6.700 75 2HB GLU 11 2HB GLU 11 -5.161 8.831 6.903 76 1HG GLU 11 1HG GLU 11 -5.509 10.897 8.231 77 2HG GLU 11 2HG GLU 11 -7.239 10.803 7.967 78 H PHE 12 H PHE 12 -6.490 8.346 3.911 79 HA PHE 12 HA PHE 12 -3.938 7.591 3.264 80 1HB PHE 12 1HB PHE 12 -6.666 7.603 1.895 81 2HB PHE 12 2HB PHE 12 -5.289 6.989 1.003 82 HD1 PHE 12 HD1 PHE 12 -6.019 6.605 4.630 83 HD2 PHE 12 HD2 PHE 12 -5.729 4.704 0.847 84 HE1 PHE 12 HE1 PHE 12 -6.301 4.368 5.732 85 HE2 PHE 12 HE2 PHE 12 -6.011 2.467 1.950 86 HZ PHE 12 HZ PHE 12 -6.294 2.326 4.379 87 H LYS 13 H LYS 13 -5.708 10.464 2.296 88 HA LYS 13 HA LYS 13 -4.422 10.947 -0.145 89 1HB LYS 13 1HB LYS 13 -6.477 12.082 1.264 90 2HB LYS 13 2HB LYS 13 -5.223 13.290 1.466 91 1HG LYS 13 1HG LYS 13 -5.670 14.034 -0.627 92 2HG LYS 13 2HG LYS 13 -5.047 12.522 -1.258 93 1HD LYS 13 1HD LYS 13 -7.234 11.504 -1.277 94 2HD LYS 13 2HD LYS 13 -7.917 12.766 -0.271 95 1HE LYS 13 1HE LYS 13 -6.772 13.316 -3.046 96 2HE LYS 13 2HE LYS 13 -8.456 12.911 -2.783 97 1HZ LYS 13 1HZ LYS 13 -7.096 15.153 -1.460 98 2HZ LYS 13 2HZ LYS 13 -8.001 15.300 -2.811 99 3HZ LYS 13 3HZ LYS 13 -8.694 14.818 -1.413 100 H GLU 14 H GLU 14 -3.788 12.379 3.140 101 HA GLU 14 HA GLU 14 -1.358 13.482 2.256 102 1HB GLU 14 1HB GLU 14 -3.024 13.966 4.359 103 2HB GLU 14 2HB GLU 14 -1.796 13.024 5.181 104 1HG GLU 14 1HG GLU 14 -0.044 14.573 4.111 105 2HG GLU 14 2HG GLU 14 -1.372 15.581 3.572 106 H ALA 15 H ALA 15 -2.335 10.453 3.889 107 HA ALA 15 HA ALA 15 0.179 9.648 4.771 108 1HB ALA 15 1HB ALA 15 -1.320 8.204 5.649 109 2HB ALA 15 2HB ALA 15 -2.498 8.509 4.350 110 3HB ALA 15 3HB ALA 15 -1.193 7.322 4.109 111 H PHE 16 H PHE 16 -1.485 9.338 1.594 112 HA PHE 16 HA PHE 16 -0.005 7.556 0.284 113 1HB PHE 16 1HB PHE 16 -1.849 9.084 -0.590 114 2HB PHE 16 2HB PHE 16 -0.712 10.417 -0.609 115 HD1 PHE 16 HD1 PHE 16 -0.775 6.898 -1.885 116 HD2 PHE 16 HD2 PHE 16 0.060 10.979 -2.695 117 HE1 PHE 16 HE1 PHE 16 -0.108 6.296 -4.229 118 HE2 PHE 16 HE2 PHE 16 0.726 10.377 -5.039 119 HZ PHE 16 HZ PHE 16 0.634 8.043 -5.778 120 H SER 17 H SER 17 0.963 11.023 0.778 121 HA SER 17 HA SER 17 3.214 11.118 -0.618 122 1HB SER 17 1HB SER 17 2.067 12.738 1.216 123 2HB SER 17 2HB SER 17 3.403 12.162 2.193 124 HG SER 17 HG SER 17 4.478 13.737 1.197 125 H LEU 18 H LEU 18 2.800 9.614 2.642 126 HA LEU 18 HA LEU 18 5.542 8.941 2.902 127 1HB LEU 18 1HB LEU 18 3.055 7.979 4.319 128 2HB LEU 18 2HB LEU 18 4.682 7.505 4.764 129 HG LEU 18 HG LEU 18 3.748 10.385 4.712 130 1HD1 LEU 18 1HD1 LEU 18 2.493 9.887 6.488 131 2HD1 LEU 18 2HD1 LEU 18 3.221 8.272 6.664 132 3HD1 LEU 18 3HD1 LEU 18 4.028 9.694 7.368 133 1HD2 LEU 18 1HD2 LEU 18 5.829 10.042 6.550 134 2HD2 LEU 18 2HD2 LEU 18 6.311 9.100 5.119 135 3HD2 LEU 18 3HD2 LEU 18 5.911 10.826 4.954 136 H PHE 19 H PHE 19 2.574 6.957 2.206 137 HA PHE 19 HA PHE 19 3.751 4.568 1.774 138 1HB PHE 19 1HB PHE 19 1.562 6.004 0.153 139 2HB PHE 19 2HB PHE 19 1.800 4.268 0.135 140 HD1 PHE 19 HD1 PHE 19 -0.720 5.817 0.927 141 HD2 PHE 19 HD2 PHE 19 2.469 4.194 3.208 142 HE1 PHE 19 HE1 PHE 19 -2.250 5.585 2.903 143 HE2 PHE 19 HE2 PHE 19 0.939 3.962 5.184 144 HZ PHE 19 HZ PHE 19 -1.403 4.661 5.008 145 H ASP 20 H ASP 20 3.619 7.373 -0.478 146 HA ASP 20 HA ASP 20 4.963 5.806 -2.482 147 1HB ASP 20 1HB ASP 20 3.096 7.714 -2.740 148 2HB ASP 20 2HB ASP 20 4.484 8.784 -2.697 149 H LYS 21 H LYS 21 7.141 5.523 -1.796 150 HA LYS 21 HA LYS 21 8.563 7.591 -0.473 151 1HB LYS 21 1HB LYS 21 9.671 5.102 -1.798 152 2HB LYS 21 2HB LYS 21 10.428 6.066 -0.546 153 1HG LYS 21 1HG LYS 21 7.768 4.602 -0.206 154 2HG LYS 21 2HG LYS 21 9.314 3.962 0.315 155 1HD LYS 21 1HD LYS 21 9.627 5.796 1.897 156 2HD LYS 21 2HD LYS 21 8.241 6.658 1.259 157 1HE LYS 21 1HE LYS 21 6.730 4.829 2.022 158 2HE LYS 21 2HE LYS 21 8.107 3.924 2.620 159 1HZ LYS 21 1HZ LYS 21 7.914 5.060 4.477 160 2HZ LYS 21 2HZ LYS 21 8.285 6.447 3.699 161 3HZ LYS 21 3HZ LYS 21 6.724 5.999 3.870 162 H ASP 22 H ASP 22 8.928 6.081 -3.764 163 HA ASP 22 HA ASP 22 10.826 7.665 -4.746 164 1HB ASP 22 1HB ASP 22 8.424 6.310 -5.907 165 2HB ASP 22 2HB ASP 22 9.167 7.520 -6.933 166 H GLY 23 H GLY 23 7.235 8.279 -5.003 167 1HA GLY 23 1HA GLY 23 6.239 10.353 -4.556 168 2HA GLY 23 2HA GLY 23 7.758 11.166 -4.873 169 H ASP 24 H ASP 24 6.358 8.568 -6.925 170 HA ASP 24 HA ASP 24 6.143 10.576 -9.022 171 1HB ASP 24 1HB ASP 24 6.107 8.370 -10.480 172 2HB ASP 24 2HB ASP 24 7.629 8.980 -9.862 173 H GLY 25 H GLY 25 4.636 7.702 -7.430 174 1HA GLY 25 1HA GLY 25 2.146 8.204 -7.121 175 2HA GLY 25 2HA GLY 25 2.118 8.218 -8.873 176 H THR 26 H THR 26 4.098 6.110 -6.702 177 HA THR 26 HA THR 26 2.388 3.854 -7.036 178 HB THR 26 HB THR 26 4.375 2.646 -8.345 179 HG1 THR 26 HG1 THR 26 5.557 4.814 -8.111 180 1HG2 THR 26 1HG2 THR 26 2.973 4.645 -10.109 181 2HG2 THR 26 2HG2 THR 26 3.172 2.890 -10.332 182 3HG2 THR 26 3HG2 THR 26 1.946 3.510 -9.200 183 H ILE 27 H ILE 27 2.776 2.323 -5.495 184 HA ILE 27 HA ILE 27 4.986 2.972 -3.700 185 HB ILE 27 HB ILE 27 2.412 1.446 -3.361 186 1HG1 ILE 27 1HG1 ILE 27 2.114 3.195 -1.544 187 2HG1 ILE 27 2HG1 ILE 27 3.508 4.022 -2.211 188 1HG2 ILE 27 1HG2 ILE 27 4.866 0.925 -2.033 189 2HG2 ILE 27 2HG2 ILE 27 3.799 1.762 -0.881 190 3HG2 ILE 27 3HG2 ILE 27 3.249 0.270 -1.680 191 1HD1 ILE 27 1HD1 ILE 27 1.555 3.256 -4.289 192 2HD1 ILE 27 2HD1 ILE 27 0.875 4.348 -3.058 193 3HD1 ILE 27 3HD1 ILE 27 2.321 4.833 -3.977 194 H THR 28 H THR 28 6.708 2.069 -4.947 195 HA THR 28 HA THR 28 6.752 -0.385 -6.154 196 HB THR 28 HB THR 28 8.882 1.230 -4.671 197 HG1 THR 28 HG1 THR 28 9.143 1.991 -6.815 198 1HG2 THR 28 1HG2 THR 28 9.741 -1.084 -4.888 199 2HG2 THR 28 2HG2 THR 28 9.182 -1.151 -6.577 200 3HG2 THR 28 3HG2 THR 28 10.506 -0.052 -6.121 201 H THR 29 H THR 29 7.161 -2.512 -5.604 202 HA THR 29 HA THR 29 6.087 -3.523 -3.341 203 HB THR 29 HB THR 29 7.376 -5.565 -3.920 204 HG1 THR 29 HG1 THR 29 8.804 -3.640 -5.616 205 1HG2 THR 29 1HG2 THR 29 5.642 -4.455 -5.649 206 2HG2 THR 29 2HG2 THR 29 7.121 -4.185 -6.601 207 3HG2 THR 29 3HG2 THR 29 6.648 -5.838 -6.141 208 H LYS 30 H LYS 30 9.584 -2.680 -3.772 209 HA LYS 30 HA LYS 30 10.262 -3.399 -1.143 210 1HB LYS 30 1HB LYS 30 12.383 -2.554 -1.643 211 2HB LYS 30 2HB LYS 30 11.774 -3.118 -3.186 212 1HG LYS 30 1HG LYS 30 10.849 -0.570 -3.303 213 2HG LYS 30 2HG LYS 30 12.204 -0.300 -2.225 214 1HD LYS 30 1HD LYS 30 12.779 -1.996 -4.625 215 2HD LYS 30 2HD LYS 30 12.415 -0.315 -4.957 216 1HE LYS 30 1HE LYS 30 14.400 -1.006 -2.771 217 2HE LYS 30 2HE LYS 30 14.912 -1.051 -4.446 218 1HZ LYS 30 1HZ LYS 30 14.934 1.142 -4.511 219 2HZ LYS 30 2HZ LYS 30 13.442 1.292 -3.864 220 3HZ LYS 30 3HZ LYS 30 14.745 1.153 -2.889 221 H GLU 31 H GLU 31 9.011 -0.409 -2.656 222 HA GLU 31 HA GLU 31 9.545 1.239 -0.476 223 1HB GLU 31 1HB GLU 31 7.667 1.370 -2.844 224 2HB GLU 31 2HB GLU 31 7.541 2.577 -1.580 225 1HG GLU 31 1HG GLU 31 9.993 3.087 -1.853 226 2HG GLU 31 2HG GLU 31 10.076 1.917 -3.155 227 H LEU 32 H LEU 32 7.030 -1.147 -1.152 228 HA LEU 32 HA LEU 32 5.106 -0.166 0.653 229 1HB LEU 32 1HB LEU 32 4.418 -1.631 -1.055 230 2HB LEU 32 2HB LEU 32 5.624 -2.832 -0.638 231 HG LEU 32 HG LEU 32 3.238 -3.379 -0.022 232 1HD1 LEU 32 1HD1 LEU 32 4.302 -4.867 1.232 233 2HD1 LEU 32 2HD1 LEU 32 5.668 -3.752 1.477 234 3HD1 LEU 32 3HD1 LEU 32 4.271 -3.703 2.579 235 1HD2 LEU 32 1HD2 LEU 32 2.001 -2.122 1.347 236 2HD2 LEU 32 2HD2 LEU 32 3.346 -1.872 2.485 237 3HD2 LEU 32 3HD2 LEU 32 3.197 -0.839 1.043 238 H GLY 33 H GLY 33 7.938 -2.353 0.952 239 1HA GLY 33 1HA GLY 33 7.376 -3.206 3.596 240 2HA GLY 33 2HA GLY 33 8.909 -3.297 2.752 241 H THR 34 H THR 34 8.760 -0.261 2.190 242 HA THR 34 HA THR 34 10.289 0.542 4.413 243 HB THR 34 HB THR 34 8.910 2.147 2.195 244 HG1 THR 34 HG1 THR 34 10.370 0.666 1.272 245 1HG2 THR 34 1HG2 THR 34 10.340 3.100 4.439 246 2HG2 THR 34 2HG2 THR 34 11.561 3.006 3.147 247 3HG2 THR 34 3HG2 THR 34 10.088 3.977 2.911 248 H VAL 35 H VAL 35 6.896 1.336 3.425 249 HA VAL 35 HA VAL 35 6.349 3.031 5.530 250 HB VAL 35 HB VAL 35 4.608 1.134 3.953 251 1HG1 VAL 35 1HG1 VAL 35 3.666 1.815 6.231 252 2HG1 VAL 35 2HG1 VAL 35 3.601 3.473 5.586 253 3HG1 VAL 35 3HG1 VAL 35 2.665 2.176 4.805 254 1HG2 VAL 35 1HG2 VAL 35 4.365 2.783 2.410 255 2HG2 VAL 35 2HG2 VAL 35 4.458 4.084 3.621 256 3HG2 VAL 35 3HG2 VAL 35 5.947 3.296 3.045 257 H MET 36 H MET 36 5.936 -0.564 5.292 258 HA MET 36 HA MET 36 4.733 -1.146 7.557 259 1HB MET 36 1HB MET 36 7.278 -2.418 6.414 260 2HB MET 36 2HB MET 36 6.307 -3.191 7.651 261 1HG MET 36 1HG MET 36 5.126 -2.286 4.987 262 2HG MET 36 2HG MET 36 5.819 -3.880 5.209 263 1HE MET 36 1HE MET 36 1.734 -2.478 6.205 264 2HE MET 36 2HE MET 36 3.084 -1.579 5.471 265 3HE MET 36 3HE MET 36 2.409 -3.003 4.644 266 H ARG 37 H ARG 37 8.321 -0.578 7.346 267 HA ARG 37 HA ARG 37 8.906 -0.930 9.951 268 1HB ARG 37 1HB ARG 37 10.063 1.150 8.027 269 2HB ARG 37 2HB ARG 37 10.825 0.682 9.534 270 1HG ARG 37 1HG ARG 37 10.652 -1.774 8.602 271 2HG ARG 37 2HG ARG 37 10.382 -1.008 7.049 272 1HD ARG 37 1HD ARG 37 12.647 0.246 8.421 273 2HD ARG 37 2HD ARG 37 12.885 -1.487 8.308 274 HE ARG 37 HE ARG 37 12.062 -0.897 5.768 275 1HH1 ARG 37 2HH2 ARG 37 14.481 0.593 7.845 276 2HH1 ARG 37 1HH2 ARG 37 15.476 1.115 6.526 277 1HH2 ARG 37 2HH1 ARG 37 13.374 -0.208 4.029 278 2HH2 ARG 37 1HH1 ARG 37 14.842 0.656 4.341 279 H SER 38 H SER 38 7.748 2.081 8.302 280 HA SER 38 HA SER 38 8.004 3.863 10.288 281 1HB SER 38 1HB SER 38 6.642 3.722 7.844 282 2HB SER 38 2HB SER 38 5.364 4.070 8.992 283 HG SER 38 HG SER 38 6.995 5.789 9.813 284 H LEU 39 H LEU 39 5.878 1.062 10.160 285 HA LEU 39 HA LEU 39 4.206 2.053 12.308 286 1HB LEU 39 1HB LEU 39 4.222 -0.530 10.743 287 2HB LEU 39 2HB LEU 39 3.092 -0.164 12.032 288 HG LEU 39 HG LEU 39 3.364 1.312 9.400 289 1HD1 LEU 39 1HD1 LEU 39 2.288 -0.795 9.066 290 2HD1 LEU 39 2HD1 LEU 39 1.246 -0.556 10.489 291 3HD1 LEU 39 3HD1 LEU 39 1.032 0.467 9.048 292 1HD2 LEU 39 1HD2 LEU 39 1.231 2.465 10.221 293 2HD2 LEU 39 2HD2 LEU 39 1.705 1.913 11.846 294 3HD2 LEU 39 3HD2 LEU 39 2.779 2.992 10.924 295 H GLY 40 H GLY 40 6.670 -0.521 11.684 296 1HA GLY 40 1HA GLY 40 8.255 -0.545 13.690 297 2HA GLY 40 2HA GLY 40 6.816 -0.974 14.593 298 H GLN 41 H GLN 41 7.816 -1.955 11.249 299 HA GLN 41 HA GLN 41 8.351 -4.605 12.223 300 1HB GLN 41 1HB GLN 41 6.786 -5.479 10.285 301 2HB GLN 41 2HB GLN 41 6.100 -5.076 11.846 302 1HG GLN 41 1HG GLN 41 6.217 -2.664 10.241 303 2HG GLN 41 2HG GLN 41 5.466 -3.931 9.290 304 1HE2 GLN 41 1HE2 GLN 41 5.351 -2.103 12.279 305 2HE2 GLN 41 2HE2 GLN 41 3.688 -2.385 12.674 306 H ASN 42 H ASN 42 9.669 -5.844 10.759 307 HA ASN 42 HA ASN 42 10.527 -4.302 8.439 308 1HB ASN 42 1HB ASN 42 12.151 -5.818 10.520 309 2HB ASN 42 2HB ASN 42 12.796 -5.603 8.904 310 1HD2 ASN 42 1HD2 ASN 42 11.014 -3.665 11.312 311 2HD2 ASN 42 2HD2 ASN 42 12.009 -2.250 11.233 312 HA PRO 43 HA PRO 43 9.197 -8.536 7.296 313 1HB PRO 43 1HB PRO 43 7.404 -7.862 5.346 314 2HB PRO 43 2HB PRO 43 6.943 -8.159 7.011 315 1HG PRO 43 1HG PRO 43 7.170 -5.581 5.583 316 2HG PRO 43 2HG PRO 43 6.323 -5.938 7.074 317 1HD PRO 43 1HD PRO 43 8.849 -4.605 6.813 318 2HD PRO 43 2HD PRO 43 8.057 -5.066 8.306 319 H THR 44 H THR 44 9.159 -9.678 5.065 320 HA THR 44 HA THR 44 11.498 -8.570 3.689 321 HB THR 44 HB THR 44 11.341 -11.030 2.700 322 HG1 THR 44 HG1 THR 44 9.605 -12.049 3.615 323 1HG2 THR 44 1HG2 THR 44 13.142 -10.612 4.254 324 2HG2 THR 44 2HG2 THR 44 12.008 -10.347 5.601 325 3HG2 THR 44 3HG2 THR 44 12.240 -11.984 4.942 326 H GLU 45 H GLU 45 11.569 -8.223 1.457 327 HA GLU 45 HA GLU 45 9.179 -7.269 0.405 328 1HB GLU 45 1HB GLU 45 10.483 -6.849 -1.633 329 2HB GLU 45 2HB GLU 45 11.422 -6.408 -0.221 330 1HG GLU 45 1HG GLU 45 13.071 -7.781 -0.951 331 2HG GLU 45 2HG GLU 45 12.017 -9.146 -0.644 332 H ALA 46 H ALA 46 10.560 -10.457 0.547 333 HA ALA 46 HA ALA 46 9.446 -11.500 -1.829 334 1HB ALA 46 1HB ALA 46 9.746 -13.682 -0.327 335 2HB ALA 46 2HB ALA 46 11.153 -12.815 -0.989 336 3HB ALA 46 3HB ALA 46 10.665 -12.558 0.703 337 H GLU 47 H GLU 47 8.440 -11.817 1.656 338 HA GLU 47 HA GLU 47 6.084 -13.098 1.134 339 1HB GLU 47 1HB GLU 47 7.145 -11.423 3.392 340 2HB GLU 47 2HB GLU 47 5.431 -11.789 3.403 341 1HG GLU 47 1HG GLU 47 7.351 -14.054 2.865 342 2HG GLU 47 2HG GLU 47 7.236 -13.450 4.507 343 H LEU 48 H LEU 48 6.854 -9.585 1.190 344 HA LEU 48 HA LEU 48 4.150 -8.773 0.906 345 1HB LEU 48 1HB LEU 48 6.832 -7.452 0.712 346 2HB LEU 48 2HB LEU 48 5.401 -6.605 0.157 347 HG LEU 48 HG LEU 48 5.874 -5.919 2.399 348 1HD1 LEU 48 1HD1 LEU 48 3.728 -5.878 2.999 349 2HD1 LEU 48 2HD1 LEU 48 3.425 -6.915 1.584 350 3HD1 LEU 48 3HD1 LEU 48 3.657 -7.646 3.191 351 1HD2 LEU 48 1HD2 LEU 48 7.229 -7.574 3.326 352 2HD2 LEU 48 2HD2 LEU 48 5.724 -7.683 4.271 353 3HD2 LEU 48 3HD2 LEU 48 6.055 -8.868 2.985 354 H GLN 49 H GLN 49 6.717 -9.852 -1.273 355 HA GLN 49 HA GLN 49 5.973 -8.701 -3.600 356 1HB GLN 49 1HB GLN 49 7.920 -10.294 -3.140 357 2HB GLN 49 2HB GLN 49 6.793 -11.623 -3.328 358 1HG GLN 49 1HG GLN 49 6.244 -10.850 -5.634 359 2HG GLN 49 2HG GLN 49 7.332 -9.489 -5.448 360 1HE2 GLN 49 1HE2 GLN 49 7.357 -11.691 -7.358 361 2HE2 GLN 49 2HE2 GLN 49 8.893 -12.479 -7.223 362 H ASP 50 H ASP 50 4.450 -11.457 -1.880 363 HA ASP 50 HA ASP 50 2.769 -12.157 -4.005 364 1HB ASP 50 1HB ASP 50 3.208 -13.742 -2.215 365 2HB ASP 50 2HB ASP 50 2.649 -12.616 -0.995 366 H MET 51 H MET 51 2.701 -9.779 -1.354 367 HA MET 51 HA MET 51 -0.069 -9.324 -1.416 368 1HB MET 51 1HB MET 51 2.250 -7.523 -0.513 369 2HB MET 51 2HB MET 51 0.569 -7.275 -0.083 370 1HG MET 51 1HG MET 51 2.276 -9.696 0.670 371 2HG MET 51 2HG MET 51 1.756 -8.423 1.756 372 1HE MET 51 1HE MET 51 0.249 -8.773 3.259 373 2HE MET 51 2HE MET 51 -1.180 -9.835 3.262 374 3HE MET 51 3HE MET 51 0.451 -10.537 3.392 375 H ILE 52 H ILE 52 2.731 -7.323 -2.617 376 HA ILE 52 HA ILE 52 1.309 -5.359 -3.850 377 HB ILE 52 HB ILE 52 3.292 -5.165 -5.361 378 1HG1 ILE 52 1HG1 ILE 52 5.248 -6.706 -4.473 379 2HG1 ILE 52 2HG1 ILE 52 3.936 -7.802 -4.084 380 1HG2 ILE 52 1HG2 ILE 52 4.063 -3.900 -3.714 381 2HG2 ILE 52 2HG2 ILE 52 3.069 -4.805 -2.547 382 3HG2 ILE 52 3HG2 ILE 52 4.730 -5.337 -2.903 383 1HD1 ILE 52 1HD1 ILE 52 5.077 -7.139 -6.695 384 2HD1 ILE 52 2HD1 ILE 52 3.988 -8.475 -6.248 385 3HD1 ILE 52 3HD1 ILE 52 3.315 -6.884 -6.679 386 H ASN 53 H ASN 53 2.277 -8.569 -5.223 387 HA ASN 53 HA ASN 53 1.129 -8.095 -7.700 388 1HB ASN 53 1HB ASN 53 2.752 -10.006 -6.853 389 2HB ASN 53 2HB ASN 53 1.282 -10.855 -6.418 390 1HD2 ASN 53 1HD2 ASN 53 2.426 -12.299 -8.048 391 2HD2 ASN 53 2HD2 ASN 53 1.941 -12.157 -9.704 392 H GLU 54 H GLU 54 -0.106 -9.254 -4.552 393 HA GLU 54 HA GLU 54 -2.483 -10.356 -5.527 394 1HB GLU 54 1HB GLU 54 -1.637 -10.969 -3.330 395 2HB GLU 54 2HB GLU 54 -1.682 -9.305 -2.782 396 1HG GLU 54 1HG GLU 54 -3.677 -10.106 -1.868 397 2HG GLU 54 2HG GLU 54 -4.262 -9.456 -3.387 398 H VAL 55 H VAL 55 -1.851 -7.218 -3.785 399 HA VAL 55 HA VAL 55 -4.409 -6.201 -4.138 400 HB VAL 55 HB VAL 55 -3.409 -4.067 -3.575 401 1HG1 VAL 55 1HG1 VAL 55 -2.266 -4.715 -1.466 402 2HG1 VAL 55 2HG1 VAL 55 -3.766 -5.631 -1.753 403 3HG1 VAL 55 3HG1 VAL 55 -2.186 -6.393 -2.054 404 1HG2 VAL 55 1HG2 VAL 55 -0.806 -5.450 -4.257 405 2HG2 VAL 55 2HG2 VAL 55 -1.461 -3.926 -4.903 406 3HG2 VAL 55 3HG2 VAL 55 -0.874 -4.001 -3.225 407 H ASP 56 H ASP 56 -1.440 -5.954 -6.180 408 HA ASP 56 HA ASP 56 -2.337 -4.145 -7.981 409 1HB ASP 56 1HB ASP 56 -0.049 -5.222 -7.880 410 2HB ASP 56 2HB ASP 56 -0.730 -6.670 -8.593 411 H ALA 57 H ALA 57 -4.289 -4.207 -9.111 412 HA ALA 57 HA ALA 57 -5.323 -6.833 -9.883 413 1HB ALA 57 1HB ALA 57 -6.911 -4.326 -10.232 414 2HB ALA 57 2HB ALA 57 -7.420 -5.932 -9.655 415 3HB ALA 57 3HB ALA 57 -6.552 -4.827 -8.562 416 H ASP 58 H ASP 58 -4.874 -3.471 -11.197 417 HA ASP 58 HA ASP 58 -5.551 -3.854 -13.729 418 1HB ASP 58 1HB ASP 58 -4.292 -1.949 -14.223 419 2HB ASP 58 2HB ASP 58 -4.408 -1.825 -12.479 420 H GLY 59 H GLY 59 -2.611 -5.019 -12.044 421 1HA GLY 59 1HA GLY 59 -1.471 -6.953 -12.699 422 2HA GLY 59 2HA GLY 59 -1.985 -6.713 -14.357 423 H ASP 60 H ASP 60 0.551 -6.257 -12.081 424 HA ASP 60 HA ASP 60 2.231 -5.243 -14.080 425 1HB ASP 60 1HB ASP 60 2.302 -3.331 -11.811 426 2HB ASP 60 2HB ASP 60 2.473 -3.025 -13.528 427 H GLY 61 H GLY 61 1.691 -5.141 -10.470 428 1HA GLY 61 1HA GLY 61 2.841 -6.882 -9.179 429 2HA GLY 61 2HA GLY 61 4.274 -6.547 -10.131 430 H THR 62 H THR 62 2.018 -3.981 -9.071 431 HA THR 62 HA THR 62 3.744 -3.265 -6.850 432 HB THR 62 HB THR 62 3.284 -1.398 -9.236 433 HG1 THR 62 HG1 THR 62 5.442 -2.022 -9.718 434 1HG2 THR 62 1HG2 THR 62 3.647 -0.167 -7.109 435 2HG2 THR 62 2HG2 THR 62 5.043 -1.206 -6.734 436 3HG2 THR 62 3HG2 THR 62 5.114 -0.083 -8.113 437 H ILE 63 H ILE 63 2.820 -1.449 -5.560 438 HA ILE 63 HA ILE 63 -0.065 -1.779 -5.539 439 HB ILE 63 HB ILE 63 1.734 -0.406 -3.542 440 1HG1 ILE 63 1HG1 ILE 63 0.970 -3.302 -3.861 441 2HG1 ILE 63 2HG1 ILE 63 2.552 -2.601 -3.582 442 1HG2 ILE 63 1HG2 ILE 63 -1.080 -1.493 -3.254 443 2HG2 ILE 63 2HG2 ILE 63 -0.116 -0.677 -2.000 444 3HG2 ILE 63 3HG2 ILE 63 -0.649 0.224 -3.440 445 1HD1 ILE 63 1HD1 ILE 63 1.640 -1.777 -1.310 446 2HD1 ILE 63 2HD1 ILE 63 0.253 -2.852 -1.606 447 3HD1 ILE 63 3HD1 ILE 63 1.893 -3.531 -1.478 448 H ASP 64 H ASP 64 -1.465 0.168 -5.192 449 HA ASP 64 HA ASP 64 -0.273 2.562 -6.309 450 1HB ASP 64 1HB ASP 64 -2.939 1.399 -7.241 451 2HB ASP 64 2HB ASP 64 -2.198 2.874 -7.829 452 H PHE 65 H PHE 65 -2.519 4.213 -6.375 453 HA PHE 65 HA PHE 65 -3.066 4.564 -3.619 454 1HB PHE 65 1HB PHE 65 -3.124 6.005 -6.072 455 2HB PHE 65 2HB PHE 65 -4.814 5.919 -5.613 456 HD1 PHE 65 HD1 PHE 65 -4.339 5.978 -2.582 457 HD2 PHE 65 HD2 PHE 65 -2.816 8.337 -5.764 458 HE1 PHE 65 HE1 PHE 65 -4.008 7.899 -1.000 459 HE2 PHE 65 HE2 PHE 65 -2.486 10.258 -4.183 460 HZ PHE 65 HZ PHE 65 -3.086 10.016 -1.820 461 HA PRO 66 HA PRO 66 -7.377 3.124 -4.966 462 1HB PRO 66 1HB PRO 66 -7.723 1.947 -7.408 463 2HB PRO 66 2HB PRO 66 -8.036 3.645 -7.110 464 1HG PRO 66 1HG PRO 66 -5.754 2.400 -8.519 465 2HG PRO 66 2HG PRO 66 -6.304 4.063 -8.575 466 1HD PRO 66 1HD PRO 66 -4.042 3.052 -7.131 467 2HD PRO 66 2HD PRO 66 -4.661 4.691 -7.095 468 H GLU 67 H GLU 67 -4.665 1.217 -5.959 469 HA GLU 67 HA GLU 67 -5.960 -1.235 -5.514 470 1HB GLU 67 1HB GLU 67 -3.088 -0.352 -5.863 471 2HB GLU 67 2HB GLU 67 -3.425 -1.996 -5.358 472 1HG GLU 67 1HG GLU 67 -4.807 -2.390 -7.351 473 2HG GLU 67 2HG GLU 67 -4.690 -0.706 -7.820 474 H PHE 68 H PHE 68 -3.403 0.532 -3.611 475 HA PHE 68 HA PHE 68 -3.444 -1.144 -1.425 476 1HB PHE 68 1HB PHE 68 -1.991 0.971 -2.212 477 2HB PHE 68 2HB PHE 68 -3.149 1.896 -1.276 478 HD1 PHE 68 HD1 PHE 68 -1.882 2.670 0.524 479 HD2 PHE 68 HD2 PHE 68 -1.723 -1.448 -0.490 480 HE1 PHE 68 HE1 PHE 68 -0.565 2.207 2.610 481 HE2 PHE 68 HE2 PHE 68 -0.405 -1.910 1.596 482 HZ PHE 68 HZ PHE 68 0.158 -0.077 3.121 483 H LEU 69 H LEU 69 -5.566 1.618 -2.286 484 HA LEU 69 HA LEU 69 -6.737 2.151 0.105 485 1HB LEU 69 1HB LEU 69 -7.639 3.555 -1.345 486 2HB LEU 69 2HB LEU 69 -7.352 2.481 -2.700 487 HG LEU 69 HG LEU 69 -9.437 1.238 -2.108 488 1HD1 LEU 69 1HD1 LEU 69 -9.281 2.249 0.338 489 2HD1 LEU 69 2HD1 LEU 69 -10.325 3.501 -0.376 490 3HD1 LEU 69 3HD1 LEU 69 -10.838 1.796 -0.397 491 1HD2 LEU 69 1HD2 LEU 69 -10.038 4.164 -2.538 492 2HD2 LEU 69 2HD2 LEU 69 -9.262 3.155 -3.783 493 3HD2 LEU 69 3HD2 LEU 69 -10.887 2.740 -3.186 494 H THR 70 H THR 70 -7.628 -0.477 -2.226 495 HA THR 70 HA THR 70 -9.647 -1.514 -0.507 496 HB THR 70 HB THR 70 -8.185 -2.483 -3.009 497 HG1 THR 70 HG1 THR 70 -10.940 -1.733 -2.332 498 1HG2 THR 70 1HG2 THR 70 -8.919 -4.571 -2.158 499 2HG2 THR 70 2HG2 THR 70 -10.283 -3.837 -1.280 500 3HG2 THR 70 3HG2 THR 70 -10.356 -4.015 -3.049 501 H MET 71 H MET 71 -6.239 -2.473 -1.243 502 HA MET 71 HA MET 71 -6.082 -4.750 0.129 503 1HB MET 71 1HB MET 71 -4.155 -3.801 -1.044 504 2HB MET 71 2HB MET 71 -4.142 -2.386 -0.009 505 1HG MET 71 1HG MET 71 -2.345 -3.927 0.674 506 2HG MET 71 2HG MET 71 -3.538 -3.816 1.952 507 1HE MET 71 1HE MET 71 -1.798 -7.044 -0.193 508 2HE MET 71 2HE MET 71 -1.270 -5.618 0.732 509 3HE MET 71 3HE MET 71 -1.697 -7.122 1.582 510 H MET 72 H MET 72 -5.441 -1.485 1.615 511 HA MET 72 HA MET 72 -5.148 -2.414 4.177 512 1HB MET 72 1HB MET 72 -5.366 0.104 2.779 513 2HB MET 72 2HB MET 72 -6.454 0.197 4.149 514 1HG MET 72 1HG MET 72 -3.789 -0.987 4.775 515 2HG MET 72 2HG MET 72 -3.736 0.691 4.273 516 1HE MET 72 1HE MET 72 -2.862 0.919 7.313 517 2HE MET 72 2HE MET 72 -3.819 -0.218 8.294 518 3HE MET 72 3HE MET 72 -2.980 -0.790 6.832 519 H ALA 73 H ALA 73 -8.112 -0.966 2.636 520 HA ALA 73 HA ALA 73 -9.829 -1.163 4.730 521 1HB ALA 73 1HB ALA 73 -10.853 -0.155 2.962 522 2HB ALA 73 2HB ALA 73 -10.014 -1.172 1.765 523 3HB ALA 73 3HB ALA 73 -11.444 -1.799 2.621 524 H ARG 74 H ARG 74 -9.201 -3.721 2.222 525 HA ARG 74 HA ARG 74 -10.837 -5.589 3.404 526 1HB ARG 74 1HB ARG 74 -8.358 -5.901 1.644 527 2HB ARG 74 2HB ARG 74 -9.378 -7.257 2.083 528 1HG ARG 74 1HG ARG 74 -10.840 -4.887 1.006 529 2HG ARG 74 2HG ARG 74 -9.770 -5.673 -0.138 530 1HD ARG 74 1HD ARG 74 -10.871 -7.862 0.301 531 2HD ARG 74 2HD ARG 74 -11.905 -7.120 1.505 532 HE ARG 74 HE ARG 74 -12.092 -5.752 -1.057 533 1HH1 ARG 74 2HH2 ARG 74 -13.230 -8.554 0.743 534 2HH1 ARG 74 1HH2 ARG 74 -14.691 -8.709 -0.174 535 1HH2 ARG 74 2HH1 ARG 74 -14.020 -5.957 -2.267 536 2HH2 ARG 74 1HH1 ARG 74 -15.144 -7.222 -1.897 537 H LYS 75 H LYS 75 -7.381 -4.746 3.910 538 HA LYS 75 HA LYS 75 -6.417 -6.853 5.267 539 1HB LYS 75 1HB LYS 75 -5.609 -4.284 4.805 540 2HB LYS 75 2HB LYS 75 -5.839 -4.247 6.542 541 1HG LYS 75 1HG LYS 75 -3.606 -4.990 6.329 542 2HG LYS 75 2HG LYS 75 -4.486 -6.484 6.583 543 1HD LYS 75 1HD LYS 75 -4.203 -5.583 3.735 544 2HD LYS 75 2HD LYS 75 -2.733 -6.115 4.527 545 1HE LYS 75 1HE LYS 75 -4.384 -8.134 5.311 546 2HE LYS 75 2HE LYS 75 -5.190 -7.693 3.819 547 1HZ LYS 75 1HZ LYS 75 -2.518 -7.733 3.241 548 2HZ LYS 75 2HZ LYS 75 -2.766 -9.060 4.161 549 3HZ LYS 75 3HZ LYS 75 -3.634 -8.839 2.795 550 H MET 76 H MET 76 -8.260 -4.124 6.812 551 HA MET 76 HA MET 76 -8.359 -5.246 9.304 552 1HB MET 76 1HB MET 76 -10.047 -3.284 7.728 553 2HB MET 76 2HB MET 76 -10.679 -3.834 9.268 554 1HG MET 76 1HG MET 76 -7.930 -3.209 9.735 555 2HG MET 76 2HG MET 76 -8.554 -1.903 8.748 556 1HE MET 76 1HE MET 76 -9.982 -3.316 12.831 557 2HE MET 76 2HE MET 76 -9.011 -4.183 11.617 558 3HE MET 76 3HE MET 76 -8.277 -2.874 12.575 559 H LYS 77 H LYS 77 -10.597 -5.651 6.500 560 HA LYS 77 HA LYS 77 -12.559 -7.096 7.835 561 1HB LYS 77 1HB LYS 77 -12.101 -6.160 5.252 562 2HB LYS 77 2HB LYS 77 -12.149 -7.900 5.055 563 1HG LYS 77 1HG LYS 77 -14.383 -8.022 5.538 564 2HG LYS 77 2HG LYS 77 -14.253 -6.903 6.881 565 1HD LYS 77 1HD LYS 77 -15.057 -5.207 5.611 566 2HD LYS 77 2HD LYS 77 -13.782 -5.435 4.431 567 1HE LYS 77 1HE LYS 77 -15.111 -6.703 3.024 568 2HE LYS 77 2HE LYS 77 -15.964 -7.477 4.345 569 1HZ LYS 77 1HZ LYS 77 -17.573 -6.022 4.087 570 2HZ LYS 77 2HZ LYS 77 -16.570 -4.763 4.364 571 3HZ LYS 77 3HZ LYS 77 -16.787 -5.314 2.842 572 H ASP 78 H ASP 78 -9.658 -8.238 5.978 573 HA ASP 78 HA ASP 78 -10.118 -10.910 6.370 574 1HB ASP 78 1HB ASP 78 -8.086 -9.264 5.279 575 2HB ASP 78 2HB ASP 78 -7.264 -10.220 6.497 576 H THR 79 H THR 79 -7.854 -8.665 8.155 577 HA THR 79 HA THR 79 -7.169 -10.497 10.157 578 HB THR 79 HB THR 79 -6.355 -8.385 11.293 579 HG1 THR 79 HG1 THR 79 -6.838 -6.448 9.811 580 1HG2 THR 79 1HG2 THR 79 -5.735 -7.714 8.467 581 2HG2 THR 79 2HG2 THR 79 -4.626 -8.128 9.796 582 3HG2 THR 79 3HG2 THR 79 -5.428 -9.420 8.871
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