NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596375 | 2n5b | 25703 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -9.514 -1.441 11.293 2 H2 MET 1 2H MET 1 -8.088 -2.332 11.463 3 H3 MET 1 3H MET 1 -8.867 -2.261 9.967 4 HA MET 1 HA MET 1 -8.417 0.058 9.760 5 HB2 MET 1 1HB MET 1 -6.854 1.101 11.451 6 HB3 MET 1 2HB MET 1 -8.485 0.797 12.022 7 HG2 MET 1 1HG MET 1 -7.058 0.195 13.781 8 HG3 MET 1 2HG MET 1 -7.597 -1.320 13.065 9 HE1 MET 1 3HE MET 1 -3.946 -2.107 14.287 10 HE2 MET 1 1HE MET 1 -5.647 -2.555 14.407 11 HE3 MET 1 2HE MET 1 -5.091 -1.015 15.066 12 H VAL 2 H VAL 2 -6.365 0.829 8.887 13 HA VAL 2 HA VAL 2 -4.575 -1.427 8.347 14 HB VAL 2 HB VAL 2 -4.453 -0.722 6.249 15 HG11 VAL 2 1HG1 VAL 2 -6.760 -0.015 6.550 16 HG12 VAL 2 2HG1 VAL 2 -5.926 1.018 5.387 17 HG13 VAL 2 3HG1 VAL 2 -6.217 1.591 7.033 18 HG21 VAL 2 3HG2 VAL 2 -3.489 1.404 5.602 19 HG22 VAL 2 1HG2 VAL 2 -2.584 0.684 6.927 20 HG23 VAL 2 2HG2 VAL 2 -3.694 2.017 7.238 21 H THR 3 H THR 3 -2.419 -1.365 8.748 22 HA THR 3 HA THR 3 -1.600 0.449 10.861 23 HB THR 3 HB THR 3 -0.869 -2.221 9.956 24 HG1 THR 3 1HG THR 3 -0.248 -2.319 12.216 25 HG21 THR 3 3HG2 THR 3 1.402 -0.451 10.869 26 HG22 THR 3 1HG2 THR 3 1.181 -1.032 9.211 27 HG23 THR 3 2HG2 THR 3 1.481 -2.180 10.528 28 H GLN 4 H GLN 4 0.135 1.773 10.844 29 HA GLN 4 HA GLN 4 1.345 2.349 8.233 30 HB2 GLN 4 1HB GLN 4 1.926 4.580 9.424 31 HB3 GLN 4 2HB GLN 4 0.285 4.327 8.852 32 HG2 GLN 4 1HG GLN 4 -0.444 4.800 10.878 33 HG3 GLN 4 2HG GLN 4 0.331 3.327 11.464 34 HE21 GLN 4 1HE2 GLN 4 3.033 4.360 10.891 35 HE22 GLN 4 2HE2 GLN 4 3.362 5.522 12.127 36 H PHE 5 H PHE 5 3.363 1.684 8.029 37 HA PHE 5 HA PHE 5 4.936 0.795 10.254 38 HB2 PHE 5 1HB PHE 5 5.670 1.235 7.352 39 HB3 PHE 5 2HB PHE 5 6.757 0.547 8.545 40 HD1 PHE 5 2HD PHE 5 4.834 -1.226 9.996 41 HD2 PHE 5 1HD PHE 5 5.417 -0.502 5.847 42 HE1 PHE 5 2HE PHE 5 3.976 -3.475 9.486 43 HE2 PHE 5 1HE PHE 5 4.568 -2.748 5.322 44 HZ PHE 5 HZ PHE 5 3.843 -4.239 7.149 45 H LYS 6 H LYS 6 7.164 1.616 10.623 46 HA LYS 6 HA LYS 6 7.212 4.542 10.399 47 HB2 LYS 6 1HB LYS 6 8.566 4.523 12.482 48 HB3 LYS 6 2HB LYS 6 6.928 3.919 12.690 49 HG2 LYS 6 1HG LYS 6 7.749 1.634 12.633 50 HG3 LYS 6 2HG LYS 6 9.394 2.220 12.390 51 HD2 LYS 6 1HD LYS 6 9.008 1.621 14.726 52 HD3 LYS 6 2HD LYS 6 9.325 3.347 14.554 53 HE2 LYS 6 1HE LYS 6 6.952 3.825 14.724 54 HE3 LYS 6 2HE LYS 6 6.588 2.102 14.803 55 HZ1 LYS 6 3HZ LYS 6 7.801 1.971 16.877 56 HZ2 LYS 6 1HZ LYS 6 6.571 3.126 16.990 57 HZ3 LYS 6 2HZ LYS 6 8.178 3.619 16.798 58 H THR 7 H THR 7 8.864 1.652 9.614 59 HA THR 7 HA THR 7 11.112 3.257 8.664 60 HB THR 7 HB THR 7 12.667 1.390 9.170 61 HG1 THR 7 1HG THR 7 11.486 0.200 11.153 62 HG21 THR 7 3HG2 THR 7 11.298 2.636 11.557 63 HG22 THR 7 1HG2 THR 7 12.597 3.360 10.608 64 HG23 THR 7 2HG2 THR 7 12.904 1.905 11.557 65 H ALA 8 H ALA 8 12.152 2.550 6.812 66 HA ALA 8 HA ALA 8 10.728 1.143 4.863 67 HB1 ALA 8 1HB ALA 8 12.677 2.606 4.412 68 HB2 ALA 8 2HB ALA 8 12.830 1.023 3.650 69 HB3 ALA 8 3HB ALA 8 13.732 1.385 5.122 70 H SER 9 H SER 9 12.883 0.155 7.412 71 HA SER 9 HA SER 9 13.334 -2.513 6.747 72 HB2 SER 9 1HB SER 9 12.976 -1.518 9.567 73 HB3 SER 9 2HB SER 9 14.078 -2.761 8.972 74 HG SER 9 HG SER 9 15.076 -0.986 7.736 75 H GLU 10 H GLU 10 10.666 -0.979 8.561 76 HA GLU 10 HA GLU 10 9.401 -3.427 9.279 77 HB2 GLU 10 1HB GLU 10 8.294 -0.636 8.958 78 HB3 GLU 10 2HB GLU 10 7.342 -1.986 9.558 79 HG2 GLU 10 1HG GLU 10 9.810 -0.822 10.823 80 HG3 GLU 10 2HG GLU 10 8.151 -0.652 11.394 81 H PHE 11 H PHE 11 9.017 -1.242 6.562 82 HA PHE 11 HA PHE 11 6.919 -2.627 5.277 83 HB2 PHE 11 1HB PHE 11 7.135 -0.444 4.593 84 HB3 PHE 11 2HB PHE 11 8.890 -0.508 4.532 85 HD1 PHE 11 2HD PHE 11 5.784 -1.165 2.725 86 HD2 PHE 11 1HD PHE 11 10.028 -1.264 2.550 87 HE1 PHE 11 2HE PHE 11 5.667 -1.395 0.279 88 HE2 PHE 11 1HE PHE 11 9.923 -1.488 0.101 89 HZ PHE 11 HZ PHE 11 7.741 -1.554 -1.038 90 H ASP 12 H ASP 12 10.432 -2.668 4.820 91 HA ASP 12 HA ASP 12 10.578 -4.447 2.689 92 HB2 ASP 12 1HB ASP 12 12.526 -3.216 3.364 93 HB3 ASP 12 2HB ASP 12 12.501 -3.946 4.965 94 H SER 13 H SER 13 10.631 -5.138 6.176 95 HA SER 13 HA SER 13 10.978 -7.928 5.841 96 HB2 SER 13 1HB SER 13 9.861 -6.447 8.232 97 HB3 SER 13 2HB SER 13 10.527 -8.078 8.232 98 HG SER 13 HG SER 13 11.809 -5.749 8.496 99 H ALA 14 H ALA 14 8.155 -5.881 5.900 100 HA ALA 14 HA ALA 14 6.291 -8.024 6.238 101 HB1 ALA 14 1HB ALA 14 4.602 -6.391 5.485 102 HB2 ALA 14 2HB ALA 14 5.897 -5.251 5.116 103 HB3 ALA 14 3HB ALA 14 5.619 -5.761 6.783 104 H ILE 15 H ILE 15 7.336 -6.099 3.443 105 HA ILE 15 HA ILE 15 5.745 -7.518 1.595 106 HB ILE 15 HB ILE 15 7.014 -6.363 -0.139 107 HG12 ILE 15 1HG1 ILE 15 8.690 -5.127 2.032 108 HG13 ILE 15 2HG1 ILE 15 9.213 -6.571 1.175 109 HG21 ILE 15 1HG2 ILE 15 6.491 -4.071 0.549 110 HG22 ILE 15 2HG2 ILE 15 6.338 -4.611 2.220 111 HG23 ILE 15 3HG2 ILE 15 5.208 -5.192 0.999 112 HD11 ILE 15 3HD1 ILE 15 9.127 -5.350 -0.932 113 HD12 ILE 15 1HD1 ILE 15 10.197 -4.563 0.226 114 HD13 ILE 15 2HD1 ILE 15 8.588 -3.907 -0.075 115 H ALA 16 H ALA 16 8.794 -8.258 3.029 116 HA ALA 16 HA ALA 16 9.731 -9.914 0.855 117 HB1 ALA 16 1HB ALA 16 11.564 -10.488 2.299 118 HB2 ALA 16 2HB ALA 16 10.716 -9.829 3.697 119 HB3 ALA 16 3HB ALA 16 11.274 -8.750 2.415 120 H GLN 17 H GLN 17 7.414 -10.284 3.191 121 HA GLN 17 HA GLN 17 7.855 -13.026 3.860 122 HB2 GLN 17 1HB GLN 17 5.400 -11.277 4.141 123 HB3 GLN 17 2HB GLN 17 5.545 -12.901 4.801 124 HG2 GLN 17 1HG GLN 17 7.296 -12.215 6.274 125 HG3 GLN 17 2HG GLN 17 7.375 -10.625 5.517 126 HE21 GLN 17 1HE2 GLN 17 6.989 -9.557 7.429 127 HE22 GLN 17 2HE2 GLN 17 5.439 -9.543 8.198 128 H ASP 18 H ASP 18 6.311 -14.748 3.306 129 HA ASP 18 HA ASP 18 5.942 -14.877 0.464 130 HB2 ASP 18 1HB ASP 18 5.158 -17.129 0.888 131 HB3 ASP 18 2HB ASP 18 6.679 -16.841 1.717 132 H LYS 19 H LYS 19 4.304 -13.071 2.158 133 HA LYS 19 HA LYS 19 1.615 -14.047 1.484 134 HB2 LYS 19 1HB LYS 19 0.775 -13.329 3.458 135 HB3 LYS 19 2HB LYS 19 2.382 -13.789 3.969 136 HG2 LYS 19 1HG LYS 19 3.106 -11.562 4.115 137 HG3 LYS 19 2HG LYS 19 1.718 -10.964 3.200 138 HD2 LYS 19 1HD LYS 19 1.604 -12.227 5.937 139 HD3 LYS 19 2HD LYS 19 1.500 -10.499 5.601 140 HE2 LYS 19 1HE LYS 19 -0.569 -10.727 4.506 141 HE3 LYS 19 2HE LYS 19 -0.404 -12.478 4.372 142 HZ1 LYS 19 3HZ LYS 19 -0.894 -10.893 6.839 143 HZ2 LYS 19 1HZ LYS 19 -0.528 -12.551 6.841 144 HZ3 LYS 19 2HZ LYS 19 -1.945 -12.000 6.100 145 H LEU 20 H LEU 20 0.027 -12.272 1.196 146 HA LEU 20 HA LEU 20 1.069 -10.301 -0.622 147 HB2 LEU 20 1HB LEU 20 -1.125 -11.554 -0.857 148 HB3 LEU 20 2HB LEU 20 -1.744 -10.572 0.449 149 HG LEU 20 HG LEU 20 -2.488 -9.793 -1.755 150 HD11 LEU 20 1HD1 LEU 20 -0.664 -7.840 -0.390 151 HD12 LEU 20 2HD1 LEU 20 -2.347 -8.171 0.026 152 HD13 LEU 20 3HD1 LEU 20 -1.952 -7.437 -1.528 153 HD21 LEU 20 3HD2 LEU 20 -0.525 -10.470 -3.046 154 HD22 LEU 20 1HD2 LEU 20 0.400 -9.173 -2.284 155 HD23 LEU 20 2HD2 LEU 20 -0.974 -8.785 -3.324 156 H VAL 21 H VAL 21 2.060 -8.557 0.180 157 HA VAL 21 HA VAL 21 0.706 -7.157 2.399 158 HB VAL 21 HB VAL 21 3.656 -7.041 1.700 159 HG11 VAL 21 1HG1 VAL 21 3.870 -5.569 3.633 160 HG12 VAL 21 2HG1 VAL 21 2.127 -5.667 3.921 161 HG13 VAL 21 3HG1 VAL 21 2.738 -4.875 2.462 162 HG21 VAL 21 3HG2 VAL 21 3.964 -8.067 3.910 163 HG22 VAL 21 1HG2 VAL 21 3.026 -9.106 2.838 164 HG23 VAL 21 2HG2 VAL 21 2.214 -8.180 4.101 165 H VAL 22 H VAL 22 -0.504 -5.622 1.508 166 HA VAL 22 HA VAL 22 0.709 -3.992 -0.583 167 HB VAL 22 HB VAL 22 -1.274 -4.489 -1.522 168 HG11 VAL 22 1HG1 VAL 22 -3.389 -4.846 -0.335 169 HG12 VAL 22 2HG1 VAL 22 -2.556 -4.542 1.193 170 HG13 VAL 22 3HG1 VAL 22 -2.104 -5.930 0.195 171 HG21 VAL 22 3HG2 VAL 22 -1.255 -2.090 -1.383 172 HG22 VAL 22 1HG2 VAL 22 -2.025 -2.144 0.203 173 HG23 VAL 22 2HG2 VAL 22 -2.911 -2.677 -1.225 174 H VAL 23 H VAL 23 1.827 -2.430 0.169 175 HA VAL 23 HA VAL 23 0.857 -0.842 2.446 176 HB VAL 23 HB VAL 23 3.578 -0.867 1.123 177 HG11 VAL 23 1HG1 VAL 23 4.307 0.413 3.065 178 HG12 VAL 23 2HG1 VAL 23 2.648 0.457 3.661 179 HG13 VAL 23 3HG1 VAL 23 3.066 1.271 2.153 180 HG21 VAL 23 3HG2 VAL 23 2.494 -2.280 3.531 181 HG22 VAL 23 1HG2 VAL 23 4.210 -1.904 3.386 182 HG23 VAL 23 2HG2 VAL 23 3.427 -2.930 2.186 183 H ALA 24 H ALA 24 0.445 1.368 2.219 184 HA ALA 24 HA ALA 24 0.784 2.491 -0.472 185 HB1 ALA 24 1HB ALA 24 -1.621 1.987 0.421 186 HB2 ALA 24 2HB ALA 24 -1.281 3.457 -0.486 187 HB3 ALA 24 3HB ALA 24 -1.381 3.515 1.271 188 H PHE 25 H PHE 25 2.135 4.025 -0.628 189 HA PHE 25 HA PHE 25 3.076 5.511 1.610 190 HB2 PHE 25 1HB PHE 25 3.453 5.806 -1.362 191 HB3 PHE 25 2HB PHE 25 4.216 6.885 -0.194 192 HD1 PHE 25 1HD PHE 25 5.438 5.558 1.784 193 HD2 PHE 25 2HD PHE 25 4.705 4.042 -2.123 194 HE1 PHE 25 1HE PHE 25 7.278 3.953 2.066 195 HE2 PHE 25 2HE PHE 25 6.557 2.437 -1.850 196 HZ PHE 25 HZ PHE 25 7.836 2.389 0.250 197 H TYR 26 H TYR 26 2.321 7.275 2.469 198 HA TYR 26 HA TYR 26 0.066 8.676 1.180 199 HB2 TYR 26 1HB TYR 26 0.384 7.408 3.785 200 HB3 TYR 26 2HB TYR 26 -0.122 9.085 3.919 201 HD1 TYR 26 2HD TYR 26 -0.993 6.302 1.587 202 HD2 TYR 26 1HD TYR 26 -2.335 9.234 4.353 203 HE1 TYR 26 2HE TYR 26 -3.315 5.613 1.188 204 HE2 TYR 26 1HE TYR 26 -4.657 8.551 3.967 205 HH TYR 26 HH TYR 26 -5.966 7.429 2.236 206 H ALA 27 H ALA 27 -0.335 10.727 2.687 207 HA ALA 27 HA ALA 27 1.939 11.992 3.804 208 HB1 ALA 27 1HB ALA 27 0.950 13.047 1.144 209 HB2 ALA 27 2HB ALA 27 2.522 12.306 1.443 210 HB3 ALA 27 3HB ALA 27 2.116 13.848 2.197 211 H THR 28 H THR 28 1.346 14.034 4.759 212 HA THR 28 HA THR 28 -1.446 14.132 5.457 213 HB THR 28 HB THR 28 -0.466 16.235 6.764 214 HG1 THR 28 1HG THR 28 1.844 14.646 6.787 215 HG21 THR 28 3HG2 THR 28 -1.412 14.245 7.811 216 HG22 THR 28 1HG2 THR 28 0.084 14.713 8.618 217 HG23 THR 28 2HG2 THR 28 0.076 13.354 7.495 218 H TRP 29 H TRP 29 0.267 15.391 2.932 219 HA TRP 29 HA TRP 29 -1.310 17.863 2.865 220 HB2 TRP 29 1HB TRP 29 0.488 18.555 1.136 221 HB3 TRP 29 2HB TRP 29 0.896 18.571 2.847 222 HD1 TRP 29 HD TRP 29 2.660 16.816 3.705 223 HE1 TRP 29 1HE TRP 29 4.395 15.342 2.495 224 HE3 TRP 29 3HE TRP 29 0.839 17.174 -1.054 225 HZ2 TRP 29 2HZ TRP 29 4.906 14.446 -0.133 226 HZ3 TRP 29 3HZ TRP 29 2.006 15.975 -2.858 227 HH2 TRP 29 HH TRP 29 3.997 14.641 -2.407 228 H CYS 30 H CYS 30 -2.366 15.304 1.940 229 HA CYS 30 HA CYS 30 -2.825 16.117 -0.835 230 HB2 CYS 30 1HB CYS 30 -3.000 13.630 -1.409 231 HB3 CYS 30 2HB CYS 30 -1.392 14.310 -1.199 232 H GLY 31 H GLY 31 -4.817 15.831 -1.663 233 HA2 GLY 31 1HA GLY 31 -6.997 15.333 0.168 234 HA3 GLY 31 2HA GLY 31 -7.126 15.845 -1.503 235 HA PRO 32 HA PRO 32 -7.828 11.796 -3.084 236 HB2 PRO 32 1HB PRO 32 -5.554 10.521 -3.959 237 HB3 PRO 32 2HB PRO 32 -6.429 11.742 -4.888 238 HG2 PRO 32 1HG PRO 32 -3.970 12.025 -3.221 239 HG3 PRO 32 2HG PRO 32 -4.359 12.765 -4.784 240 HD2 PRO 32 1HD PRO 32 -4.541 14.134 -2.473 241 HD3 PRO 32 2HD PRO 32 -5.650 14.416 -3.819 242 H CYS 33 H CYS 33 -4.852 11.606 -1.183 243 HA CYS 33 HA CYS 33 -5.100 8.974 -0.263 244 HB2 CYS 33 1HB CYS 33 -3.670 9.767 1.643 245 HB3 CYS 33 2HB CYS 33 -3.036 10.163 0.047 246 H LYS 34 H LYS 34 -6.689 11.913 0.765 247 HA LYS 34 HA LYS 34 -7.645 10.915 3.224 248 HB2 LYS 34 1HB LYS 34 -7.591 13.318 2.676 249 HB3 LYS 34 2HB LYS 34 -8.838 13.062 1.464 250 HG2 LYS 34 1HG LYS 34 -9.777 13.986 3.503 251 HG3 LYS 34 2HG LYS 34 -10.401 12.363 3.202 252 HD2 LYS 34 1HD LYS 34 -8.804 11.449 4.814 253 HD3 LYS 34 2HD LYS 34 -8.167 13.067 5.107 254 HE2 LYS 34 1HE LYS 34 -10.343 13.778 5.946 255 HE3 LYS 34 2HE LYS 34 -11.000 12.175 5.624 256 HZ1 LYS 34 3HZ LYS 34 -10.415 12.434 7.947 257 HZ2 LYS 34 1HZ LYS 34 -8.815 12.796 7.538 258 HZ3 LYS 34 2HZ LYS 34 -9.441 11.257 7.227 259 H MET 35 H MET 35 -9.222 11.174 0.021 260 HA MET 35 HA MET 35 -11.669 10.071 0.882 261 HB2 MET 35 1HB MET 35 -12.190 9.783 -1.508 262 HB3 MET 35 2HB MET 35 -11.602 11.390 -1.115 263 HG2 MET 35 1HG MET 35 -9.361 10.678 -1.927 264 HG3 MET 35 2HG MET 35 -10.099 9.169 -2.451 265 HE1 MET 35 3HE MET 35 -12.991 10.319 -3.424 266 HE2 MET 35 1HE MET 35 -12.079 9.072 -4.273 267 HE3 MET 35 2HE MET 35 -12.667 10.486 -5.148 268 H ILE 36 H ILE 36 -8.914 8.441 -0.703 269 HA ILE 36 HA ILE 36 -10.324 5.950 -0.682 270 HB ILE 36 HB ILE 36 -8.817 5.388 -2.188 271 HG12 ILE 36 1HG1 ILE 36 -7.777 4.467 0.066 272 HG13 ILE 36 2HG1 ILE 36 -7.004 4.217 -1.484 273 HG21 ILE 36 1HG2 ILE 36 -6.850 6.721 -2.756 274 HG22 ILE 36 2HG2 ILE 36 -7.109 7.692 -1.307 275 HG23 ILE 36 3HG2 ILE 36 -8.311 7.697 -2.597 276 HD11 ILE 36 3HD1 ILE 36 -6.316 6.411 0.461 277 HD12 ILE 36 1HD1 ILE 36 -5.468 6.023 -1.038 278 HD13 ILE 36 2HD1 ILE 36 -5.446 4.877 0.310 279 H ALA 37 H ALA 37 -8.563 7.719 1.636 280 HA ALA 37 HA ALA 37 -7.471 5.679 3.173 281 HB1 ALA 37 1HB ALA 37 -7.285 7.247 4.943 282 HB2 ALA 37 2HB ALA 37 -8.554 8.260 4.259 283 HB3 ALA 37 3HB ALA 37 -7.008 8.093 3.413 284 HA PRO 38 HA PRO 38 -11.631 5.127 5.514 285 HB2 PRO 38 1HB PRO 38 -13.672 6.319 3.773 286 HB3 PRO 38 2HB PRO 38 -13.465 6.466 5.521 287 HG2 PRO 38 1HG PRO 38 -12.965 8.517 3.867 288 HG3 PRO 38 2HG PRO 38 -12.003 8.239 5.332 289 HD2 PRO 38 1HD PRO 38 -11.362 7.542 2.488 290 HD3 PRO 38 2HD PRO 38 -10.328 8.282 3.722 291 H MET 39 H MET 39 -11.661 5.298 1.944 292 HA MET 39 HA MET 39 -13.345 3.016 1.644 293 HB2 MET 39 1HB MET 39 -11.255 4.003 -0.294 294 HB3 MET 39 2HB MET 39 -12.601 2.941 -0.671 295 HG2 MET 39 1HG MET 39 -12.715 5.833 0.130 296 HG3 MET 39 2HG MET 39 -13.152 5.127 -1.426 297 HE1 MET 39 3HE MET 39 -14.907 7.129 0.438 298 HE2 MET 39 1HE MET 39 -16.518 6.444 0.225 299 HE3 MET 39 2HE MET 39 -15.441 6.608 -1.159 300 H ILE 40 H ILE 40 -9.781 3.201 1.253 301 HA ILE 40 HA ILE 40 -9.392 0.445 1.230 302 HB ILE 40 HB ILE 40 -7.698 2.829 1.728 303 HG12 ILE 40 1HG1 ILE 40 -7.408 0.386 -0.021 304 HG13 ILE 40 2HG1 ILE 40 -8.272 1.842 -0.490 305 HG21 ILE 40 1HG2 ILE 40 -5.723 1.491 2.239 306 HG22 ILE 40 2HG2 ILE 40 -6.745 0.064 2.421 307 HG23 ILE 40 3HG2 ILE 40 -6.924 1.424 3.529 308 HD11 ILE 40 3HD1 ILE 40 -5.340 1.493 -0.021 309 HD12 ILE 40 1HD1 ILE 40 -6.122 3.072 -0.103 310 HD13 ILE 40 2HD1 ILE 40 -6.185 1.990 -1.494 311 H GLU 41 H GLU 41 -9.934 2.612 3.946 312 HA GLU 41 HA GLU 41 -9.243 0.955 6.063 313 HB2 GLU 41 1HB GLU 41 -10.089 3.226 6.394 314 HB3 GLU 41 2HB GLU 41 -11.670 2.743 5.797 315 HG2 GLU 41 1HG GLU 41 -11.791 1.129 7.713 316 HG3 GLU 41 2HG GLU 41 -10.330 1.889 8.347 317 H LYS 42 H LYS 42 -12.274 1.038 4.179 318 HA LYS 42 HA LYS 42 -13.426 -1.167 5.514 319 HB2 LYS 42 1HB LYS 42 -14.955 0.199 4.370 320 HB3 LYS 42 2HB LYS 42 -13.977 0.222 2.908 321 HG2 LYS 42 1HG LYS 42 -15.998 -1.100 2.603 322 HG3 LYS 42 2HG LYS 42 -14.556 -2.107 2.469 323 HD2 LYS 42 1HD LYS 42 -16.176 -3.301 3.750 324 HD3 LYS 42 2HD LYS 42 -14.886 -2.784 4.835 325 HE2 LYS 42 1HE LYS 42 -16.251 -0.946 5.630 326 HE3 LYS 42 2HE LYS 42 -17.524 -1.362 4.484 327 HZ1 LYS 42 3HZ LYS 42 -18.025 -2.191 6.687 328 HZ2 LYS 42 1HZ LYS 42 -16.580 -3.072 6.728 329 HZ3 LYS 42 2HZ LYS 42 -17.797 -3.479 5.620 330 H PHE 43 H PHE 43 -11.639 -0.935 2.488 331 HA PHE 43 HA PHE 43 -11.938 -3.609 1.761 332 HB2 PHE 43 1HB PHE 43 -9.777 -1.637 1.005 333 HB3 PHE 43 2HB PHE 43 -10.017 -3.200 0.230 334 HD1 PHE 43 1HD PHE 43 -13.073 -1.774 1.255 335 HD2 PHE 43 2HD PHE 43 -10.151 -1.649 -1.847 336 HE1 PHE 43 1HE PHE 43 -14.728 -0.737 -0.254 337 HE2 PHE 43 2HE PHE 43 -11.802 -0.596 -3.346 338 HZ PHE 43 HZ PHE 43 -14.086 -0.144 -2.556 339 H SER 44 H SER 44 -9.900 -2.107 4.050 340 HA SER 44 HA SER 44 -7.977 -4.284 4.057 341 HB2 SER 44 1HB SER 44 -6.800 -2.961 5.758 342 HB3 SER 44 2HB SER 44 -7.196 -1.959 4.346 343 HG SER 44 HG SER 44 -8.774 -0.970 5.489 344 H GLU 45 H GLU 45 -10.882 -3.333 5.447 345 HA GLU 45 HA GLU 45 -10.755 -5.073 7.747 346 HB2 GLU 45 1HB GLU 45 -12.209 -3.070 7.672 347 HB3 GLU 45 2HB GLU 45 -13.117 -3.787 6.351 348 HG2 GLU 45 1HG GLU 45 -13.846 -5.586 7.828 349 HG3 GLU 45 2HG GLU 45 -12.931 -4.863 9.152 350 H GLN 46 H GLN 46 -11.524 -5.304 4.370 351 HA GLN 46 HA GLN 46 -12.779 -7.893 4.771 352 HB2 GLN 46 1HB GLN 46 -12.743 -7.449 2.025 353 HB3 GLN 46 2HB GLN 46 -14.111 -7.265 3.107 354 HG2 GLN 46 1HG GLN 46 -13.883 -4.967 3.211 355 HG3 GLN 46 2HG GLN 46 -12.194 -4.999 2.715 356 HE21 GLN 46 1HE2 GLN 46 -15.500 -5.124 1.681 357 HE22 GLN 46 2HE2 GLN 46 -15.198 -4.899 -0.006 358 H TYR 47 H TYR 47 -9.719 -7.006 4.560 359 HA TYR 47 HA TYR 47 -9.003 -9.455 3.060 360 HB2 TYR 47 1HB TYR 47 -6.980 -7.527 4.197 361 HB3 TYR 47 2HB TYR 47 -6.729 -8.770 2.971 362 HD1 TYR 47 2HD TYR 47 -9.251 -8.094 1.357 363 HD2 TYR 47 1HD TYR 47 -6.088 -5.715 2.966 364 HE1 TYR 47 2HE TYR 47 -9.651 -6.411 -0.391 365 HE2 TYR 47 1HE TYR 47 -6.497 -4.034 1.210 366 HH TYR 47 HH TYR 47 -7.488 -3.773 -0.920 367 HA PRO 48 HA PRO 48 -8.586 -11.191 7.222 368 HB2 PRO 48 1HB PRO 48 -9.085 -13.755 6.001 369 HB3 PRO 48 2HB PRO 48 -10.105 -12.856 7.121 370 HG2 PRO 48 1HG PRO 48 -10.744 -13.305 4.497 371 HG3 PRO 48 2HG PRO 48 -11.350 -11.936 5.443 372 HD2 PRO 48 1HD PRO 48 -9.118 -12.026 3.456 373 HD3 PRO 48 2HD PRO 48 -10.349 -10.771 3.717 374 H GLN 49 H GLN 49 -7.323 -12.616 4.194 375 HA GLN 49 HA GLN 49 -5.125 -13.751 5.755 376 HB2 GLN 49 1HB GLN 49 -4.678 -15.192 3.814 377 HB3 GLN 49 2HB GLN 49 -6.269 -15.412 4.497 378 HG2 GLN 49 1HG GLN 49 -6.941 -15.358 2.380 379 HG3 GLN 49 2HG GLN 49 -6.814 -13.613 2.578 380 HE21 GLN 49 1HE2 GLN 49 -5.083 -12.539 1.687 381 HE22 GLN 49 2HE2 GLN 49 -4.094 -13.233 0.449 382 H ALA 50 H ALA 50 -5.786 -11.232 3.623 383 HA ALA 50 HA ALA 50 -2.936 -10.875 3.059 384 HB1 ALA 50 1HB ALA 50 -3.669 -9.160 1.435 385 HB2 ALA 50 2HB ALA 50 -5.345 -9.542 1.823 386 HB3 ALA 50 3HB ALA 50 -4.315 -10.761 1.077 387 H ASP 51 H ASP 51 -2.245 -8.538 3.217 388 HA ASP 51 HA ASP 51 -3.509 -7.318 5.560 389 HB2 ASP 51 1HB ASP 51 -0.718 -8.247 5.227 390 HB3 ASP 51 2HB ASP 51 -0.929 -6.704 6.051 391 H PHE 52 H PHE 52 -3.675 -5.216 5.647 392 HA PHE 52 HA PHE 52 -2.676 -3.685 3.358 393 HB2 PHE 52 1HB PHE 52 -5.219 -3.907 4.355 394 HB3 PHE 52 2HB PHE 52 -4.650 -2.402 5.080 395 HD1 PHE 52 1HD PHE 52 -2.797 -1.625 2.763 396 HD2 PHE 52 2HD PHE 52 -6.804 -2.991 2.949 397 HE1 PHE 52 1HE PHE 52 -3.292 -0.455 0.659 398 HE2 PHE 52 2HE PHE 52 -7.319 -1.830 0.893 399 HZ PHE 52 HZ PHE 52 -5.560 -0.560 -0.295 400 H TYR 53 H TYR 53 -1.203 -2.117 3.715 401 HA TYR 53 HA TYR 53 -1.169 -0.821 6.348 402 HB2 TYR 53 1HB TYR 53 1.356 -1.566 4.857 403 HB3 TYR 53 2HB TYR 53 1.238 -0.840 6.465 404 HD1 TYR 53 2HD TYR 53 -0.119 -2.249 8.204 405 HD2 TYR 53 1HD TYR 53 1.694 -3.871 4.727 406 HE1 TYR 53 2HE TYR 53 -0.110 -4.465 9.258 407 HE2 TYR 53 1HE TYR 53 1.704 -6.102 5.770 408 HH TYR 53 HH TYR 53 1.682 -7.046 8.103 409 H LYS 54 H LYS 54 -0.417 1.368 6.286 410 HA LYS 54 HA LYS 54 0.047 2.485 3.618 411 HB2 LYS 54 1HB LYS 54 -2.122 3.409 5.496 412 HB3 LYS 54 2HB LYS 54 -1.496 4.425 4.208 413 HG2 LYS 54 1HG LYS 54 -2.153 2.590 2.607 414 HG3 LYS 54 2HG LYS 54 -2.992 1.829 3.945 415 HD2 LYS 54 1HD LYS 54 -3.524 4.656 3.055 416 HD3 LYS 54 2HD LYS 54 -4.423 3.276 2.421 417 HE2 LYS 54 1HE LYS 54 -5.779 4.105 4.130 418 HE3 LYS 54 2HE LYS 54 -4.941 2.758 4.891 419 HZ1 LYS 54 3HZ LYS 54 -4.199 5.623 5.163 420 HZ2 LYS 54 1HZ LYS 54 -3.419 4.329 5.918 421 HZ3 LYS 54 2HZ LYS 54 -5.012 4.708 6.321 422 H LEU 55 H LEU 55 1.803 3.763 3.655 423 HA LEU 55 HA LEU 55 2.840 4.469 6.330 424 HB2 LEU 55 1HB LEU 55 4.349 4.547 3.748 425 HB3 LEU 55 2HB LEU 55 4.990 4.590 5.378 426 HG LEU 55 HG LEU 55 3.888 2.278 3.867 427 HD11 LEU 55 1HD1 LEU 55 6.259 2.603 5.655 428 HD12 LEU 55 2HD1 LEU 55 6.292 2.834 3.907 429 HD13 LEU 55 3HD1 LEU 55 5.917 1.245 4.580 430 HD21 LEU 55 3HD2 LEU 55 4.110 2.483 6.854 431 HD22 LEU 55 1HD2 LEU 55 3.866 0.985 5.957 432 HD23 LEU 55 2HD2 LEU 55 2.632 2.243 5.924 433 H ASP 56 H ASP 56 3.959 6.512 6.635 434 HA ASP 56 HA ASP 56 2.799 8.733 5.097 435 HB2 ASP 56 1HB ASP 56 4.353 8.580 7.686 436 HB3 ASP 56 2HB ASP 56 4.086 10.102 6.854 437 H VAL 57 H VAL 57 3.895 9.211 3.290 438 HA VAL 57 HA VAL 57 6.457 8.207 2.734 439 HB VAL 57 HB VAL 57 4.409 9.044 1.238 440 HG11 VAL 57 1HG1 VAL 57 6.351 11.341 1.086 441 HG12 VAL 57 2HG1 VAL 57 4.692 11.408 1.676 442 HG13 VAL 57 3HG1 VAL 57 5.009 11.057 -0.023 443 HG21 VAL 57 3HG2 VAL 57 5.900 8.895 -0.693 444 HG22 VAL 57 1HG2 VAL 57 6.167 7.620 0.493 445 HG23 VAL 57 2HG2 VAL 57 7.286 8.983 0.396 446 H ASP 58 H ASP 58 5.547 11.013 4.462 447 HA ASP 58 HA ASP 58 7.851 12.590 3.750 448 HB2 ASP 58 1HB ASP 58 7.094 14.179 5.352 449 HB3 ASP 58 2HB ASP 58 5.652 13.536 4.577 450 H GLU 59 H GLU 59 7.017 10.191 6.080 451 HA GLU 59 HA GLU 59 9.597 10.413 7.430 452 HB2 GLU 59 1HB GLU 59 7.205 8.621 7.846 453 HB3 GLU 59 2HB GLU 59 8.717 8.416 8.721 454 HG2 GLU 59 1HG GLU 59 7.030 10.907 8.761 455 HG3 GLU 59 2HG GLU 59 7.010 9.647 9.994 456 H LEU 60 H LEU 60 7.782 8.301 5.306 457 HA LEU 60 HA LEU 60 10.095 6.542 4.994 458 HB2 LEU 60 1HB LEU 60 7.183 6.282 4.284 459 HB3 LEU 60 2HB LEU 60 8.388 5.222 3.574 460 HG LEU 60 HG LEU 60 7.447 4.046 5.391 461 HD11 LEU 60 1HD1 LEU 60 10.030 5.204 6.409 462 HD12 LEU 60 2HD1 LEU 60 9.903 3.918 5.206 463 HD13 LEU 60 3HD1 LEU 60 9.315 3.654 6.852 464 HD21 LEU 60 3HD2 LEU 60 7.304 4.913 7.664 465 HD22 LEU 60 1HD2 LEU 60 6.386 5.917 6.542 466 HD23 LEU 60 2HD2 LEU 60 7.962 6.457 7.123 467 H GLY 61 H GLY 61 10.784 8.811 3.937 468 HA2 GLY 61 1HA GLY 61 9.894 9.160 1.226 469 HA3 GLY 61 2HA GLY 61 11.203 10.026 2.017 470 H ASP 62 H ASP 62 12.822 7.951 2.788 471 HA ASP 62 HA ASP 62 14.310 7.542 0.451 472 HB2 ASP 62 1HB ASP 62 15.365 7.593 2.635 473 HB3 ASP 62 2HB ASP 62 14.483 6.154 3.127 474 H VAL 63 H VAL 63 12.216 5.309 2.268 475 HA VAL 63 HA VAL 63 12.645 3.087 0.575 476 HB VAL 63 HB VAL 63 11.683 2.733 2.775 477 HG11 VAL 63 1HG1 VAL 63 9.271 4.216 1.810 478 HG12 VAL 63 2HG1 VAL 63 10.442 4.799 2.993 479 HG13 VAL 63 3HG1 VAL 63 9.452 3.382 3.356 480 HG21 VAL 63 3HG2 VAL 63 9.777 2.059 0.559 481 HG22 VAL 63 1HG2 VAL 63 9.746 1.334 2.167 482 HG23 VAL 63 2HG2 VAL 63 11.140 1.082 1.113 483 H ALA 64 H ALA 64 10.261 5.681 0.539 484 HA ALA 64 HA ALA 64 8.730 4.837 -1.630 485 HB1 ALA 64 1HB ALA 64 8.118 6.714 -0.199 486 HB2 ALA 64 2HB ALA 64 8.114 7.179 -1.899 487 HB3 ALA 64 3HB ALA 64 9.455 7.656 -0.856 488 H GLN 65 H GLN 65 11.824 6.526 -1.521 489 HA GLN 65 HA GLN 65 11.910 7.080 -4.314 490 HB2 GLN 65 1HB GLN 65 14.137 6.987 -2.270 491 HB3 GLN 65 2HB GLN 65 14.272 7.658 -3.892 492 HG2 GLN 65 1HG GLN 65 12.588 8.670 -1.620 493 HG3 GLN 65 2HG GLN 65 13.986 9.444 -2.350 494 HE21 GLN 65 1HE2 GLN 65 13.777 10.341 -4.440 495 HE22 GLN 65 2HE2 GLN 65 12.229 10.782 -5.071 496 H LYS 66 H LYS 66 12.986 4.447 -2.279 497 HA LYS 66 HA LYS 66 14.558 3.017 -4.061 498 HB2 LYS 66 1HB LYS 66 12.670 2.089 -1.907 499 HB3 LYS 66 2HB LYS 66 13.806 1.040 -2.730 500 HG2 LYS 66 1HG LYS 66 15.654 2.439 -1.870 501 HG3 LYS 66 2HG LYS 66 14.455 3.375 -0.971 502 HD2 LYS 66 1HD LYS 66 13.784 1.385 0.254 503 HD3 LYS 66 2HD LYS 66 14.922 0.409 -0.674 504 HE2 LYS 66 1HE LYS 66 15.668 2.705 1.132 505 HE3 LYS 66 2HE LYS 66 15.767 1.001 1.568 506 HZ1 LYS 66 3HZ LYS 66 17.910 1.828 0.870 507 HZ2 LYS 66 1HZ LYS 66 17.278 2.335 -0.616 508 HZ3 LYS 66 2HZ LYS 66 17.352 0.686 -0.246 509 H ASN 67 H ASN 67 11.105 3.126 -3.555 510 HA ASN 67 HA ASN 67 10.664 1.243 -5.743 511 HB2 ASN 67 1HB ASN 67 8.784 2.362 -3.650 512 HB3 ASN 67 2HB ASN 67 8.327 1.200 -4.892 513 HD21 ASN 67 1HD2 ASN 67 10.226 1.705 -1.990 514 HD22 ASN 67 2HD2 ASN 67 10.474 0.029 -1.631 515 H GLU 68 H GLU 68 11.504 4.087 -5.902 516 HA GLU 68 HA GLU 68 11.056 6.063 -6.930 517 HB2 GLU 68 1HB GLU 68 10.525 5.729 -9.366 518 HB3 GLU 68 2HB GLU 68 11.918 4.858 -8.750 519 HG2 GLU 68 1HG GLU 68 10.681 2.805 -8.704 520 HG3 GLU 68 2HG GLU 68 9.196 3.646 -9.142 521 H VAL 69 H VAL 69 9.090 5.907 -5.253 522 HA VAL 69 HA VAL 69 6.501 5.994 -6.519 523 HB VAL 69 HB VAL 69 7.399 6.579 -3.697 524 HG11 VAL 69 1HG1 VAL 69 4.586 6.354 -4.759 525 HG12 VAL 69 2HG1 VAL 69 5.366 7.838 -4.212 526 HG13 VAL 69 3HG1 VAL 69 5.049 6.534 -3.067 527 HG21 VAL 69 3HG2 VAL 69 7.632 4.250 -4.428 528 HG22 VAL 69 1HG2 VAL 69 5.927 4.225 -4.869 529 HG23 VAL 69 2HG2 VAL 69 6.399 4.427 -3.182 530 H SER 70 H SER 70 5.802 7.710 -7.597 531 HA SER 70 HA SER 70 6.687 10.376 -6.719 532 HB2 SER 70 1HB SER 70 6.500 11.041 -9.140 533 HB3 SER 70 2HB SER 70 7.784 9.881 -8.799 534 HG SER 70 HG SER 70 5.355 9.526 -10.157 535 H ALA 71 H ALA 71 4.192 8.646 -6.268 536 HA ALA 71 HA ALA 71 2.268 10.778 -6.862 537 HB1 ALA 71 1HB ALA 71 0.573 9.110 -7.490 538 HB2 ALA 71 2HB ALA 71 1.790 7.841 -7.360 539 HB3 ALA 71 3HB ALA 71 1.951 9.095 -8.590 540 H MET 72 H MET 72 0.373 10.727 -5.450 541 HA MET 72 HA MET 72 0.704 9.050 -3.078 542 HB2 MET 72 1HB MET 72 0.502 10.867 -1.542 543 HB3 MET 72 2HB MET 72 1.782 11.280 -2.669 544 HG2 MET 72 1HG MET 72 -1.042 12.323 -2.749 545 HG3 MET 72 2HG MET 72 0.367 13.192 -2.150 546 HE1 MET 72 3HE MET 72 -1.900 13.873 -4.547 547 HE2 MET 72 1HE MET 72 -0.866 14.801 -5.634 548 HE3 MET 72 2HE MET 72 -0.783 15.075 -3.895 549 HA PRO 73 HA PRO 73 -0.139 7.924 -1.932 550 HB2 PRO 73 1HB PRO 73 -1.788 5.868 -1.485 551 HB3 PRO 73 2HB PRO 73 -1.895 7.359 -0.541 552 HG2 PRO 73 1HG PRO 73 -3.606 6.414 -2.795 553 HG3 PRO 73 2HG PRO 73 -4.066 7.276 -1.318 554 HD2 PRO 73 1HD PRO 73 -3.711 8.449 -3.806 555 HD3 PRO 73 2HD PRO 73 -3.677 9.308 -2.257 556 H THR 74 H THR 74 0.712 5.753 -2.358 557 HA THR 74 HA THR 74 0.184 4.801 -5.079 558 HB THR 74 HB THR 74 2.866 4.971 -3.689 559 HG1 THR 74 1HG THR 74 2.344 6.927 -4.631 560 HG21 THR 74 3HG2 THR 74 3.800 4.024 -5.755 561 HG22 THR 74 1HG2 THR 74 2.169 3.791 -6.384 562 HG23 THR 74 2HG2 THR 74 2.704 2.891 -4.965 563 H LEU 75 H LEU 75 -0.432 2.744 -5.167 564 HA LEU 75 HA LEU 75 -0.330 1.190 -2.683 565 HB2 LEU 75 1HB LEU 75 -2.270 1.474 -4.902 566 HB3 LEU 75 2HB LEU 75 -2.132 -0.092 -4.137 567 HG LEU 75 HG LEU 75 -3.970 1.208 -3.178 568 HD11 LEU 75 1HD1 LEU 75 -2.841 -0.367 -1.735 569 HD12 LEU 75 2HD1 LEU 75 -3.349 1.050 -0.818 570 HD13 LEU 75 3HD1 LEU 75 -1.660 0.860 -1.281 571 HD21 LEU 75 3HD2 LEU 75 -3.492 3.226 -1.841 572 HD22 LEU 75 1HD2 LEU 75 -3.172 3.451 -3.561 573 HD23 LEU 75 2HD2 LEU 75 -1.834 3.200 -2.442 574 H LEU 76 H LEU 76 1.259 -0.249 -2.708 575 HA LEU 76 HA LEU 76 1.598 -1.838 -5.166 576 HB2 LEU 76 1HB LEU 76 3.822 -1.219 -3.219 577 HB3 LEU 76 2HB LEU 76 3.964 -1.937 -4.810 578 HG LEU 76 HG LEU 76 3.151 0.926 -4.300 579 HD11 LEU 76 1HD1 LEU 76 5.398 1.502 -5.067 580 HD12 LEU 76 2HD1 LEU 76 5.811 -0.210 -5.149 581 HD13 LEU 76 3HD1 LEU 76 5.450 0.535 -3.593 582 HD21 LEU 76 3HD2 LEU 76 2.294 0.063 -6.393 583 HD22 LEU 76 1HD2 LEU 76 3.892 -0.549 -6.818 584 HD23 LEU 76 2HD2 LEU 76 3.617 1.190 -6.701 585 H LEU 77 H LEU 77 0.878 -3.839 -4.767 586 HA LEU 77 HA LEU 77 1.261 -4.880 -2.069 587 HB2 LEU 77 1HB LEU 77 0.132 -6.861 -3.706 588 HB3 LEU 77 2HB LEU 77 -0.629 -5.963 -2.419 589 HG LEU 77 HG LEU 77 -0.541 -5.027 -5.288 590 HD11 LEU 77 1HD1 LEU 77 -2.644 -6.524 -3.720 591 HD12 LEU 77 2HD1 LEU 77 -1.749 -7.119 -5.123 592 HD13 LEU 77 3HD1 LEU 77 -2.902 -5.799 -5.308 593 HD21 LEU 77 3HD2 LEU 77 -2.232 -3.471 -4.654 594 HD22 LEU 77 1HD2 LEU 77 -0.910 -3.297 -3.499 595 HD23 LEU 77 2HD2 LEU 77 -2.372 -4.178 -3.046 596 H PHE 78 H PHE 78 2.815 -6.183 -1.542 597 HA PHE 78 HA PHE 78 4.554 -7.110 -3.705 598 HB2 PHE 78 1HB PHE 78 5.057 -6.164 -0.923 599 HB3 PHE 78 2HB PHE 78 6.192 -7.289 -1.649 600 HD1 PHE 78 1HD PHE 78 4.751 -3.922 -1.830 601 HD2 PHE 78 2HD PHE 78 7.656 -6.596 -3.418 602 HE1 PHE 78 1HE PHE 78 5.862 -2.040 -2.958 603 HE2 PHE 78 2HE PHE 78 8.772 -4.717 -4.550 604 HZ PHE 78 HZ PHE 78 7.873 -2.436 -4.319 605 H LYS 79 H LYS 79 5.570 -9.144 -3.541 606 HA LYS 79 HA LYS 79 4.484 -11.017 -1.572 607 HB2 LYS 79 1HB LYS 79 3.070 -11.067 -3.563 608 HB3 LYS 79 2HB LYS 79 4.481 -11.369 -4.567 609 HG2 LYS 79 1HG LYS 79 3.443 -13.446 -4.344 610 HG3 LYS 79 2HG LYS 79 4.766 -13.496 -3.179 611 HD2 LYS 79 1HD LYS 79 3.298 -13.151 -1.354 612 HD3 LYS 79 2HD LYS 79 1.965 -12.700 -2.420 613 HE2 LYS 79 1HE LYS 79 1.915 -14.974 -3.318 614 HE3 LYS 79 2HE LYS 79 3.249 -15.425 -2.261 615 HZ1 LYS 79 3HZ LYS 79 0.614 -14.457 -1.295 616 HZ2 LYS 79 1HZ LYS 79 1.879 -15.075 -0.355 617 HZ3 LYS 79 2HZ LYS 79 1.042 -16.087 -1.420 618 H ASN 80 H ASN 80 6.195 -11.923 -0.662 619 HA ASN 80 HA ASN 80 8.311 -12.690 -0.273 620 HB2 ASN 80 1HB ASN 80 8.238 -13.468 -3.195 621 HB3 ASN 80 2HB ASN 80 9.356 -14.091 -1.993 622 HD21 ASN 80 1HD2 ASN 80 6.240 -14.299 -3.349 623 HD22 ASN 80 2HD2 ASN 80 5.679 -15.632 -2.415 624 H GLY 81 H GLY 81 7.994 -9.914 -1.197 625 HA2 GLY 81 1HA GLY 81 9.369 -8.131 -1.647 626 HA3 GLY 81 2HA GLY 81 10.727 -9.237 -1.511 627 H LYS 82 H LYS 82 8.475 -10.282 -3.828 628 HA LYS 82 HA LYS 82 10.239 -9.286 -5.961 629 HB2 LYS 82 1HB LYS 82 9.957 -11.305 -7.041 630 HB3 LYS 82 2HB LYS 82 9.914 -11.786 -5.363 631 HG2 LYS 82 1HG LYS 82 7.482 -11.874 -5.429 632 HG3 LYS 82 2HG LYS 82 7.519 -11.406 -7.131 633 HD2 LYS 82 1HD LYS 82 8.763 -13.428 -7.675 634 HD3 LYS 82 2HD LYS 82 8.787 -13.887 -5.973 635 HE2 LYS 82 1HE LYS 82 6.331 -13.999 -5.988 636 HE3 LYS 82 2HE LYS 82 6.334 -13.584 -7.702 637 HZ1 LYS 82 3HZ LYS 82 7.563 -16.011 -6.508 638 HZ2 LYS 82 1HZ LYS 82 7.569 -15.614 -8.153 639 HZ3 LYS 82 2HZ LYS 82 6.112 -15.962 -7.371 640 H GLU 83 H GLU 83 7.493 -8.719 -4.513 641 HA GLU 83 HA GLU 83 5.786 -7.277 -4.956 642 HB2 GLU 83 1HB GLU 83 7.344 -6.256 -6.669 643 HB3 GLU 83 2HB GLU 83 6.626 -7.324 -7.861 644 HG2 GLU 83 1HG GLU 83 4.420 -6.254 -7.359 645 HG3 GLU 83 2HG GLU 83 5.286 -5.087 -6.361 646 H VAL 84 H VAL 84 3.666 -7.272 -6.251 647 HA VAL 84 HA VAL 84 3.137 -9.794 -7.590 648 HB VAL 84 HB VAL 84 2.481 -9.756 -5.056 649 HG11 VAL 84 1HG1 VAL 84 0.062 -9.151 -4.797 650 HG12 VAL 84 2HG1 VAL 84 0.185 -8.311 -6.342 651 HG13 VAL 84 3HG1 VAL 84 1.169 -7.788 -4.977 652 HG21 VAL 84 3HG2 VAL 84 0.675 -10.809 -7.211 653 HG22 VAL 84 1HG2 VAL 84 0.656 -11.322 -5.522 654 HG23 VAL 84 2HG2 VAL 84 2.083 -11.619 -6.520 655 H ALA 85 H ALA 85 2.272 -6.499 -6.822 656 HA ALA 85 HA ALA 85 1.323 -6.071 -9.506 657 HB1 ALA 85 1HB ALA 85 -0.719 -6.940 -8.402 658 HB2 ALA 85 2HB ALA 85 -0.885 -5.276 -8.975 659 HB3 ALA 85 3HB ALA 85 -0.620 -5.599 -7.261 660 H LYS 86 H LYS 86 0.854 -3.800 -9.923 661 HA LYS 86 HA LYS 86 1.712 -1.996 -7.810 662 HB2 LYS 86 1HB LYS 86 3.735 -2.272 -9.069 663 HB3 LYS 86 2HB LYS 86 2.879 -2.081 -10.594 664 HG2 LYS 86 1HG LYS 86 2.427 0.245 -10.078 665 HG3 LYS 86 2HG LYS 86 3.215 0.069 -8.515 666 HD2 LYS 86 1HD LYS 86 5.312 -0.548 -9.753 667 HD3 LYS 86 2HD LYS 86 4.479 -0.092 -11.243 668 HE2 LYS 86 1HE LYS 86 4.083 2.159 -10.276 669 HE3 LYS 86 2HE LYS 86 5.025 1.681 -8.867 670 HZ1 LYS 86 3HZ LYS 86 6.046 1.815 -11.650 671 HZ2 LYS 86 1HZ LYS 86 6.944 1.361 -10.292 672 HZ3 LYS 86 2HZ LYS 86 6.358 2.941 -10.430 673 H VAL 87 H VAL 87 0.266 -0.440 -7.538 674 HA VAL 87 HA VAL 87 -0.918 0.786 -9.942 675 HB VAL 87 HB VAL 87 -2.411 0.616 -7.316 676 HG11 VAL 87 1HG1 VAL 87 -3.270 1.291 -10.130 677 HG12 VAL 87 2HG1 VAL 87 -3.037 2.431 -8.801 678 HG13 VAL 87 3HG1 VAL 87 -4.331 1.232 -8.722 679 HG21 VAL 87 3HG2 VAL 87 -2.878 -1.164 -9.710 680 HG22 VAL 87 1HG2 VAL 87 -3.778 -1.165 -8.190 681 HG23 VAL 87 2HG2 VAL 87 -2.088 -1.675 -8.219 682 H VAL 88 H VAL 88 -0.994 3.014 -9.896 683 HA VAL 88 HA VAL 88 0.151 4.338 -7.580 684 HB VAL 88 HB VAL 88 2.117 3.522 -8.607 685 HG11 VAL 88 1HG1 VAL 88 1.118 2.926 -10.756 686 HG12 VAL 88 2HG1 VAL 88 2.661 3.775 -10.949 687 HG13 VAL 88 3HG1 VAL 88 1.145 4.631 -11.231 688 HG21 VAL 88 3HG2 VAL 88 3.311 5.542 -9.288 689 HG22 VAL 88 1HG2 VAL 88 2.296 5.830 -7.874 690 HG23 VAL 88 2HG2 VAL 88 1.776 6.392 -9.464 691 H GLY 89 H GLY 89 -1.945 5.360 -7.659 692 HA2 GLY 89 1HA GLY 89 -1.789 7.975 -8.501 693 HA3 GLY 89 2HA GLY 89 -2.603 7.129 -9.807 694 H ALA 90 H ALA 90 -2.776 6.965 -6.250 695 HA ALA 90 HA ALA 90 -4.529 6.975 -4.802 696 HB1 ALA 90 1HB ALA 90 -4.609 9.322 -5.489 697 HB2 ALA 90 2HB ALA 90 -6.223 8.701 -5.138 698 HB3 ALA 90 3HB ALA 90 -5.698 8.900 -6.810 699 H ASN 91 H ASN 91 -5.040 4.775 -5.173 700 HA ASN 91 HA ASN 91 -7.347 4.338 -6.944 701 HB2 ASN 91 1HB ASN 91 -6.520 1.964 -7.099 702 HB3 ASN 91 2HB ASN 91 -5.510 3.167 -7.888 703 HD21 ASN 91 1HD2 ASN 91 -5.091 0.425 -6.634 704 HD22 ASN 91 2HD2 ASN 91 -3.705 0.644 -5.630 705 HA PRO 92 HA PRO 92 -9.053 2.816 -2.993 706 HB2 PRO 92 1HB PRO 92 -11.577 3.917 -3.829 707 HB3 PRO 92 2HB PRO 92 -10.590 4.391 -2.449 708 HG2 PRO 92 1HG PRO 92 -11.056 5.935 -4.707 709 HG3 PRO 92 2HG PRO 92 -9.749 6.187 -3.543 710 HD2 PRO 92 1HD PRO 92 -9.676 4.962 -6.248 711 HD3 PRO 92 2HD PRO 92 -8.409 5.842 -5.373 712 H ALA 93 H ALA 93 -10.539 3.068 -6.230 713 HA ALA 93 HA ALA 93 -11.927 0.543 -5.855 714 HB1 ALA 93 1HB ALA 93 -11.862 2.365 -8.254 715 HB2 ALA 93 2HB ALA 93 -13.071 2.402 -6.972 716 HB3 ALA 93 3HB ALA 93 -12.937 0.989 -8.020 717 H ALA 94 H ALA 94 -9.242 1.855 -7.707 718 HA ALA 94 HA ALA 94 -8.843 -0.513 -9.262 719 HB1 ALA 94 1HB ALA 94 -6.750 0.564 -9.993 720 HB2 ALA 94 2HB ALA 94 -7.034 1.860 -8.833 721 HB3 ALA 94 3HB ALA 94 -8.155 1.613 -10.167 722 H ILE 95 H ILE 95 -7.905 0.453 -6.068 723 HA ILE 95 HA ILE 95 -5.710 -1.268 -5.751 724 HB ILE 95 HB ILE 95 -6.610 0.324 -3.953 725 HG12 ILE 95 1HG1 ILE 95 -5.584 -0.913 -2.210 726 HG13 ILE 95 2HG1 ILE 95 -6.099 -2.458 -2.885 727 HG21 ILE 95 1HG2 ILE 95 -8.925 -0.489 -3.946 728 HG22 ILE 95 2HG2 ILE 95 -8.186 -0.564 -2.347 729 HG23 ILE 95 3HG2 ILE 95 -8.361 -2.038 -3.307 730 HD11 ILE 95 3HD1 ILE 95 -4.485 -2.295 -4.633 731 HD12 ILE 95 1HD1 ILE 95 -3.673 -1.973 -3.102 732 HD13 ILE 95 2HD1 ILE 95 -4.083 -0.640 -4.181 733 H LYS 96 H LYS 96 -9.158 -1.774 -5.726 734 HA LYS 96 HA LYS 96 -9.148 -4.437 -4.881 735 HB2 LYS 96 1HB LYS 96 -11.110 -2.957 -6.621 736 HB3 LYS 96 2HB LYS 96 -11.368 -4.608 -6.071 737 HG2 LYS 96 1HG LYS 96 -10.983 -2.215 -4.295 738 HG3 LYS 96 2HG LYS 96 -12.529 -2.969 -4.681 739 HD2 LYS 96 1HD LYS 96 -10.246 -4.448 -3.369 740 HD3 LYS 96 2HD LYS 96 -11.512 -3.616 -2.460 741 HE2 LYS 96 1HE LYS 96 -13.188 -5.014 -3.708 742 HE3 LYS 96 2HE LYS 96 -11.835 -5.938 -4.354 743 HZ1 LYS 96 3HZ LYS 96 -12.833 -6.977 -2.398 744 HZ2 LYS 96 1HZ LYS 96 -12.454 -5.618 -1.462 745 HZ3 LYS 96 2HZ LYS 96 -11.217 -6.568 -2.125 746 H GLN 97 H GLN 97 -8.569 -2.970 -7.996 747 HA GLN 97 HA GLN 97 -8.641 -5.194 -9.671 748 HB2 GLN 97 1HB GLN 97 -8.369 -2.963 -10.563 749 HB3 GLN 97 2HB GLN 97 -6.861 -2.747 -9.697 750 HG2 GLN 97 1HG GLN 97 -6.977 -4.970 -11.646 751 HG3 GLN 97 2HG GLN 97 -6.987 -3.333 -12.292 752 HE21 GLN 97 1HE2 GLN 97 -5.114 -5.786 -10.747 753 HE22 GLN 97 2HE2 GLN 97 -3.592 -4.954 -10.770 754 H ALA 98 H ALA 98 -5.840 -3.830 -7.945 755 HA ALA 98 HA ALA 98 -4.211 -6.134 -8.524 756 HB1 ALA 98 1HB ALA 98 -2.532 -5.018 -7.057 757 HB2 ALA 98 2HB ALA 98 -3.750 -3.810 -6.640 758 HB3 ALA 98 3HB ALA 98 -3.169 -3.937 -8.299 759 H ILE 99 H ILE 99 -6.112 -5.057 -5.906 760 HA ILE 99 HA ILE 99 -4.912 -6.739 -3.965 761 HB ILE 99 HB ILE 99 -6.548 -4.516 -3.913 762 HG12 ILE 99 1HG1 ILE 99 -4.723 -5.130 -2.396 763 HG13 ILE 99 2HG1 ILE 99 -6.169 -4.643 -1.508 764 HG21 ILE 99 1HG2 ILE 99 -8.509 -6.078 -4.060 765 HG22 ILE 99 2HG2 ILE 99 -8.489 -4.963 -2.691 766 HG23 ILE 99 3HG2 ILE 99 -8.046 -6.659 -2.459 767 HD11 ILE 99 3HD1 ILE 99 -6.105 -7.483 -2.101 768 HD12 ILE 99 1HD1 ILE 99 -6.373 -6.651 -0.563 769 HD13 ILE 99 2HD1 ILE 99 -4.724 -6.950 -1.122 770 H ALA 100 H ALA 100 -7.789 -6.996 -5.949 771 HA ALA 100 HA ALA 100 -8.612 -9.360 -4.509 772 HB1 ALA 100 1HB ALA 100 -9.873 -8.064 -6.928 773 HB2 ALA 100 2HB ALA 100 -10.343 -7.806 -5.248 774 HB3 ALA 100 3HB ALA 100 -10.562 -9.390 -5.991 775 H ALA 101 H ALA 101 -7.107 -8.487 -7.551 776 HA ALA 101 HA ALA 101 -7.275 -11.085 -8.697 777 HB1 ALA 101 1HB ALA 101 -5.666 -10.270 -10.323 778 HB2 ALA 101 2HB ALA 101 -5.351 -8.853 -9.321 779 HB3 ALA 101 3HB ALA 101 -6.939 -9.081 -10.052 780 H ASN 102 H ASN 102 -4.868 -9.418 -6.681 781 HA ASN 102 HA ASN 102 -3.159 -11.798 -6.910 782 HB2 ASN 102 1HB ASN 102 -2.580 -9.123 -5.657 783 HB3 ASN 102 2HB ASN 102 -1.439 -10.463 -5.740 784 HD21 ASN 102 1HD2 ASN 102 -2.976 -7.928 -7.424 785 HD22 ASN 102 2HD2 ASN 102 -2.136 -8.101 -8.931 786 H ALA 103 H ALA 103 -4.154 -9.756 -4.134 787 HA ALA 103 HA ALA 103 -3.448 -11.512 -2.112 788 HB1 ALA 103 1HB ALA 103 -4.991 -10.334 -0.653 789 HB2 ALA 103 2HB ALA 103 -5.846 -9.686 -2.049 790 HB3 ALA 103 3HB ALA 103 -4.194 -9.183 -1.726 Start of MODEL 2 1 H1 MET 1 1H MET 1 -8.742 -0.463 8.965 2 H2 MET 1 2H MET 1 -9.757 -0.605 10.305 3 H3 MET 1 3H MET 1 -8.865 -1.938 9.776 4 HA MET 1 HA MET 1 -7.716 0.567 10.853 5 HB2 MET 1 1HB MET 1 -7.935 -2.183 12.100 6 HB3 MET 1 2HB MET 1 -7.065 -0.822 12.790 7 HG2 MET 1 1HG MET 1 -9.113 0.410 13.064 8 HG3 MET 1 2HG MET 1 -10.021 -0.860 12.247 9 HE1 MET 1 3HE MET 1 -7.090 -1.293 14.863 10 HE2 MET 1 1HE MET 1 -8.002 -1.382 16.369 11 HE3 MET 1 2HE MET 1 -7.971 0.119 15.444 12 H VAL 2 H VAL 2 -6.359 0.587 8.943 13 HA VAL 2 HA VAL 2 -4.500 -1.647 8.698 14 HB VAL 2 HB VAL 2 -4.510 -1.154 6.535 15 HG11 VAL 2 1HG1 VAL 2 -5.782 0.682 5.575 16 HG12 VAL 2 2HG1 VAL 2 -5.926 1.425 7.169 17 HG13 VAL 2 3HG1 VAL 2 -6.697 -0.128 6.848 18 HG21 VAL 2 3HG2 VAL 2 -3.110 0.456 5.703 19 HG22 VAL 2 1HG2 VAL 2 -2.520 0.273 7.352 20 HG23 VAL 2 2HG2 VAL 2 -3.556 1.640 6.937 21 H THR 3 H THR 3 -2.378 -1.585 9.039 22 HA THR 3 HA THR 3 -1.456 0.256 11.030 23 HB THR 3 HB THR 3 -0.654 -2.330 9.949 24 HG1 THR 3 1HG THR 3 -0.541 -0.943 12.398 25 HG21 THR 3 3HG2 THR 3 1.278 -1.079 9.105 26 HG22 THR 3 1HG2 THR 3 1.737 -2.160 10.431 27 HG23 THR 3 2HG2 THR 3 1.561 -0.429 10.727 28 H GLN 4 H GLN 4 0.121 1.748 10.886 29 HA GLN 4 HA GLN 4 1.114 2.431 8.214 30 HB2 GLN 4 1HB GLN 4 1.831 4.585 9.488 31 HB3 GLN 4 2HB GLN 4 0.144 4.372 9.053 32 HG2 GLN 4 1HG GLN 4 0.047 5.146 11.232 33 HG3 GLN 4 2HG GLN 4 -0.147 3.404 11.406 34 HE21 GLN 4 1HE2 GLN 4 2.914 5.016 10.780 35 HE22 GLN 4 2HE2 GLN 4 3.629 4.644 12.309 36 H PHE 5 H PHE 5 3.275 2.311 7.781 37 HA PHE 5 HA PHE 5 4.936 1.130 9.867 38 HB2 PHE 5 1HB PHE 5 5.377 1.534 6.914 39 HB3 PHE 5 2HB PHE 5 6.658 0.997 7.989 40 HD1 PHE 5 2HD PHE 5 4.991 -0.825 9.746 41 HD2 PHE 5 1HD PHE 5 5.174 -0.335 5.525 42 HE1 PHE 5 2HE PHE 5 4.284 -3.160 9.446 43 HE2 PHE 5 1HE PHE 5 4.474 -2.669 5.212 44 HZ PHE 5 HZ PHE 5 4.026 -4.085 7.181 45 H LYS 6 H LYS 6 7.142 1.940 10.171 46 HA LYS 6 HA LYS 6 7.207 4.872 9.999 47 HB2 LYS 6 1HB LYS 6 8.512 4.809 12.114 48 HB3 LYS 6 2HB LYS 6 6.865 4.215 12.281 49 HG2 LYS 6 1HG LYS 6 7.787 1.896 12.050 50 HG3 LYS 6 2HG LYS 6 9.398 2.602 12.165 51 HD2 LYS 6 1HD LYS 6 8.809 3.552 14.351 52 HD3 LYS 6 2HD LYS 6 7.214 2.807 14.235 53 HE2 LYS 6 1HE LYS 6 8.325 0.590 14.078 54 HE3 LYS 6 2HE LYS 6 9.871 1.391 14.353 55 HZ1 LYS 6 3HZ LYS 6 9.041 2.166 16.488 56 HZ2 LYS 6 1HZ LYS 6 8.990 0.478 16.394 57 HZ3 LYS 6 2HZ LYS 6 7.570 1.376 16.222 58 H THR 7 H THR 7 8.841 1.940 9.297 59 HA THR 7 HA THR 7 11.086 3.495 8.253 60 HB THR 7 HB THR 7 12.630 1.641 8.785 61 HG1 THR 7 1HG THR 7 11.318 0.500 10.788 62 HG21 THR 7 3HG2 THR 7 12.571 3.594 10.233 63 HG22 THR 7 1HG2 THR 7 12.849 2.137 11.185 64 HG23 THR 7 2HG2 THR 7 11.253 2.886 11.166 65 H ALA 8 H ALA 8 12.032 2.753 6.365 66 HA ALA 8 HA ALA 8 10.495 1.283 4.524 67 HB1 ALA 8 1HB ALA 8 13.498 1.657 4.548 68 HB2 ALA 8 2HB ALA 8 12.342 2.817 3.901 69 HB3 ALA 8 3HB ALA 8 12.506 1.224 3.156 70 H SER 9 H SER 9 12.792 0.405 6.979 71 HA SER 9 HA SER 9 13.245 -2.279 6.323 72 HB2 SER 9 1HB SER 9 14.560 -1.075 8.016 73 HB3 SER 9 2HB SER 9 13.140 -0.966 9.054 74 HG SER 9 HG SER 9 14.610 -3.266 8.311 75 H GLU 10 H GLU 10 10.694 -0.725 8.282 76 HA GLU 10 HA GLU 10 9.412 -3.109 9.093 77 HB2 GLU 10 1HB GLU 10 8.404 -0.302 8.677 78 HB3 GLU 10 2HB GLU 10 7.337 -1.592 9.209 79 HG2 GLU 10 1HG GLU 10 9.850 -0.795 10.651 80 HG3 GLU 10 2HG GLU 10 8.250 -0.161 11.028 81 H PHE 11 H PHE 11 8.901 -1.034 6.298 82 HA PHE 11 HA PHE 11 6.798 -2.507 5.137 83 HB2 PHE 11 1HB PHE 11 6.971 -0.341 4.366 84 HB3 PHE 11 2HB PHE 11 8.720 -0.408 4.215 85 HD1 PHE 11 1HD PHE 11 5.525 -1.251 2.623 86 HD2 PHE 11 2HD PHE 11 9.755 -1.167 2.207 87 HE1 PHE 11 1HE PHE 11 5.285 -1.619 0.203 88 HE2 PHE 11 2HE PHE 11 9.525 -1.543 -0.218 89 HZ PHE 11 HZ PHE 11 7.288 -1.766 -1.222 90 H ASP 12 H ASP 12 10.301 -2.543 4.553 91 HA ASP 12 HA ASP 12 10.259 -4.385 2.432 92 HB2 ASP 12 1HB ASP 12 12.189 -2.974 2.846 93 HB3 ASP 12 2HB ASP 12 12.468 -3.759 4.396 94 H SER 13 H SER 13 10.319 -4.862 5.907 95 HA SER 13 HA SER 13 10.979 -7.635 5.754 96 HB2 SER 13 1HB SER 13 9.696 -6.102 8.031 97 HB3 SER 13 2HB SER 13 10.457 -7.689 8.145 98 HG SER 13 HG SER 13 11.690 -5.195 7.562 99 H ALA 14 H ALA 14 7.962 -5.818 5.940 100 HA ALA 14 HA ALA 14 6.256 -8.053 6.274 101 HB1 ALA 14 1HB ALA 14 4.481 -6.538 5.390 102 HB2 ALA 14 2HB ALA 14 5.733 -5.336 5.071 103 HB3 ALA 14 3HB ALA 14 5.406 -5.850 6.728 104 H ILE 15 H ILE 15 7.320 -6.249 3.425 105 HA ILE 15 HA ILE 15 5.739 -7.713 1.600 106 HB ILE 15 HB ILE 15 7.049 -6.626 -0.153 107 HG12 ILE 15 1HG1 ILE 15 8.677 -5.358 2.039 108 HG13 ILE 15 2HG1 ILE 15 9.224 -6.780 1.166 109 HG21 ILE 15 1HG2 ILE 15 6.345 -4.765 2.115 110 HG22 ILE 15 2HG2 ILE 15 5.214 -5.417 0.930 111 HG23 ILE 15 3HG2 ILE 15 6.494 -4.318 0.416 112 HD11 ILE 15 3HD1 ILE 15 9.136 -5.520 -0.925 113 HD12 ILE 15 1HD1 ILE 15 10.205 -4.761 0.255 114 HD13 ILE 15 2HD1 ILE 15 8.597 -4.097 -0.035 115 H ALA 16 H ALA 16 8.865 -8.293 3.016 116 HA ALA 16 HA ALA 16 9.780 -10.087 0.976 117 HB1 ALA 16 1HB ALA 16 10.731 -9.871 3.823 118 HB2 ALA 16 2HB ALA 16 11.306 -8.862 2.496 119 HB3 ALA 16 3HB ALA 16 11.593 -10.602 2.468 120 H GLN 17 H GLN 17 7.586 -10.340 3.503 121 HA GLN 17 HA GLN 17 7.937 -13.140 3.973 122 HB2 GLN 17 1HB GLN 17 5.685 -11.267 4.697 123 HB3 GLN 17 2HB GLN 17 5.762 -12.950 5.194 124 HG2 GLN 17 1HG GLN 17 7.790 -12.508 6.445 125 HG3 GLN 17 2HG GLN 17 7.780 -10.832 5.895 126 HE21 GLN 17 1HE2 GLN 17 7.684 -11.896 8.608 127 HE22 GLN 17 2HE2 GLN 17 6.237 -11.267 9.317 128 H ASP 18 H ASP 18 6.195 -14.707 3.523 129 HA ASP 18 HA ASP 18 6.208 -15.168 0.841 130 HB2 ASP 18 1HB ASP 18 5.899 -16.960 2.360 131 HB3 ASP 18 2HB ASP 18 4.392 -16.284 2.955 132 H LYS 19 H LYS 19 3.637 -13.396 2.506 133 HA LYS 19 HA LYS 19 1.963 -13.882 0.183 134 HB2 LYS 19 1HB LYS 19 0.056 -13.975 1.500 135 HB3 LYS 19 2HB LYS 19 1.246 -14.933 2.343 136 HG2 LYS 19 1HG LYS 19 0.189 -12.232 3.048 137 HG3 LYS 19 2HG LYS 19 0.005 -13.727 3.943 138 HD2 LYS 19 1HD LYS 19 1.670 -12.903 5.191 139 HD3 LYS 19 2HD LYS 19 2.708 -13.426 3.856 140 HE2 LYS 19 1HE LYS 19 2.229 -11.226 2.772 141 HE3 LYS 19 2HE LYS 19 1.504 -10.714 4.305 142 HZ1 LYS 19 3HZ LYS 19 3.647 -11.213 5.399 143 HZ2 LYS 19 1HZ LYS 19 3.759 -9.973 4.254 144 HZ3 LYS 19 2HZ LYS 19 4.324 -11.518 3.878 145 H LEU 20 H LEU 20 0.004 -12.305 0.398 146 HA LEU 20 HA LEU 20 0.871 -10.025 -0.943 147 HB2 LEU 20 1HB LEU 20 -1.349 -11.319 -1.021 148 HB3 LEU 20 2HB LEU 20 -1.825 -10.357 0.356 149 HG LEU 20 HG LEU 20 -2.768 -9.492 -1.710 150 HD11 LEU 20 1HD1 LEU 20 -2.306 -7.902 0.051 151 HD12 LEU 20 2HD1 LEU 20 -2.086 -7.170 -1.538 152 HD13 LEU 20 3HD1 LEU 20 -0.681 -7.651 -0.586 153 HD21 LEU 20 3HD2 LEU 20 0.055 -8.990 -2.602 154 HD22 LEU 20 1HD2 LEU 20 -1.422 -8.585 -3.476 155 HD23 LEU 20 2HD2 LEU 20 -0.985 -10.276 -3.217 156 H VAL 21 H VAL 21 1.916 -8.349 -0.053 157 HA VAL 21 HA VAL 21 0.676 -7.105 2.326 158 HB VAL 21 HB VAL 21 3.579 -6.936 1.449 159 HG11 VAL 21 1HG1 VAL 21 2.719 -4.757 2.246 160 HG12 VAL 21 2HG1 VAL 21 3.937 -5.445 3.326 161 HG13 VAL 21 3HG1 VAL 21 2.228 -5.533 3.754 162 HG21 VAL 21 3HG2 VAL 21 2.294 -8.025 3.947 163 HG22 VAL 21 1HG2 VAL 21 4.027 -7.935 3.630 164 HG23 VAL 21 2HG2 VAL 21 3.003 -8.978 2.643 165 H VAL 22 H VAL 22 -0.632 -5.557 1.574 166 HA VAL 22 HA VAL 22 0.318 -3.898 -0.639 167 HB VAL 22 HB VAL 22 -1.736 -4.557 -1.354 168 HG11 VAL 22 1HG1 VAL 22 -3.678 -4.965 0.010 169 HG12 VAL 22 2HG1 VAL 22 -2.807 -4.407 1.442 170 HG13 VAL 22 3HG1 VAL 22 -2.285 -5.868 0.602 171 HG21 VAL 22 3HG2 VAL 22 -3.396 -2.773 -1.014 172 HG22 VAL 22 1HG2 VAL 22 -1.785 -2.137 -1.342 173 HG23 VAL 22 2HG2 VAL 22 -2.414 -2.135 0.305 174 H VAL 23 H VAL 23 1.518 -2.344 0.128 175 HA VAL 23 HA VAL 23 0.502 -0.732 2.374 176 HB VAL 23 HB VAL 23 3.281 -0.539 1.237 177 HG11 VAL 23 1HG1 VAL 23 2.399 1.228 2.729 178 HG12 VAL 23 2HG1 VAL 23 3.808 0.391 3.381 179 HG13 VAL 23 3HG1 VAL 23 2.196 0.013 3.989 180 HG21 VAL 23 3HG2 VAL 23 3.913 -2.045 3.194 181 HG22 VAL 23 1HG2 VAL 23 3.181 -2.823 1.789 182 HG23 VAL 23 2HG2 VAL 23 2.216 -2.517 3.230 183 H ALA 24 H ALA 24 0.271 1.528 2.108 184 HA ALA 24 HA ALA 24 0.672 2.572 -0.617 185 HB1 ALA 24 1HB ALA 24 -1.412 3.590 -0.705 186 HB2 ALA 24 2HB ALA 24 -1.671 3.409 1.024 187 HB3 ALA 24 3HB ALA 24 -1.750 1.998 -0.027 188 H PHE 25 H PHE 25 1.691 4.321 -0.813 189 HA PHE 25 HA PHE 25 2.783 5.704 1.411 190 HB2 PHE 25 1HB PHE 25 2.718 6.374 -1.531 191 HB3 PHE 25 2HB PHE 25 3.743 7.174 -0.339 192 HD1 PHE 25 1HD PHE 25 3.097 4.016 -2.122 193 HD2 PHE 25 2HD PHE 25 5.767 6.142 0.420 194 HE1 PHE 25 1HE PHE 25 4.818 2.304 -2.508 195 HE2 PHE 25 2HE PHE 25 7.497 4.431 0.028 196 HZ PHE 25 HZ PHE 25 7.020 2.510 -1.432 197 H TYR 26 H TYR 26 1.870 7.228 2.567 198 HA TYR 26 HA TYR 26 -0.370 8.815 1.466 199 HB2 TYR 26 1HB TYR 26 0.105 7.651 4.201 200 HB3 TYR 26 2HB TYR 26 -0.907 9.069 4.002 201 HD1 TYR 26 1HD TYR 26 -0.946 6.415 1.469 202 HD2 TYR 26 2HD TYR 26 -2.773 7.953 4.986 203 HE1 TYR 26 1HE TYR 26 -2.880 4.944 1.110 204 HE2 TYR 26 2HE TYR 26 -4.707 6.488 4.637 205 HH TYR 26 HH TYR 26 -5.775 5.318 2.573 206 H ALA 27 H ALA 27 -0.680 10.825 2.856 207 HA ALA 27 HA ALA 27 1.506 11.828 4.365 208 HB1 ALA 27 1HB ALA 27 2.416 12.227 2.115 209 HB2 ALA 27 2HB ALA 27 2.049 13.748 2.927 210 HB3 ALA 27 3HB ALA 27 0.965 13.130 1.681 211 H THR 28 H THR 28 0.963 14.052 5.167 212 HA THR 28 HA THR 28 -1.883 14.216 5.648 213 HB THR 28 HB THR 28 -1.239 16.092 7.188 214 HG1 THR 28 1HG THR 28 1.320 15.667 7.480 215 HG21 THR 28 3HG2 THR 28 -1.466 13.798 7.997 216 HG22 THR 28 1HG2 THR 28 -0.161 14.630 8.840 217 HG23 THR 28 2HG2 THR 28 0.212 13.470 7.566 218 H TRP 29 H TRP 29 0.103 15.362 3.276 219 HA TRP 29 HA TRP 29 -1.444 17.834 2.922 220 HB2 TRP 29 1HB TRP 29 0.476 18.656 1.580 221 HB3 TRP 29 2HB TRP 29 0.886 18.334 3.261 222 HD1 TRP 29 HD TRP 29 1.174 16.572 -0.165 223 HE1 TRP 29 1HE TRP 29 3.351 15.184 -0.180 224 HE3 TRP 29 3HE TRP 29 2.694 17.420 4.635 225 HZ2 TRP 29 2HZ TRP 29 5.432 14.547 1.618 226 HZ3 TRP 29 3HZ TRP 29 4.788 16.387 5.412 227 HH2 TRP 29 HH TRP 29 6.126 14.980 3.934 228 H CYS 30 H CYS 30 -2.103 15.046 1.998 229 HA CYS 30 HA CYS 30 -2.462 15.795 -0.813 230 HB2 CYS 30 1HB CYS 30 -2.273 13.355 -1.402 231 HB3 CYS 30 2HB CYS 30 -0.771 14.144 -0.926 232 H GLY 31 H GLY 31 -4.441 15.782 -1.493 233 HA2 GLY 31 1HA GLY 31 -6.633 15.136 0.172 234 HA3 GLY 31 2HA GLY 31 -6.718 15.587 -1.518 235 HA PRO 32 HA PRO 32 -7.385 11.443 -2.971 236 HB2 PRO 32 1HB PRO 32 -4.543 10.669 -3.368 237 HB3 PRO 32 2HB PRO 32 -5.899 10.588 -4.498 238 HG2 PRO 32 1HG PRO 32 -4.064 12.462 -4.782 239 HG3 PRO 32 2HG PRO 32 -5.780 12.857 -4.994 240 HD2 PRO 32 1HD PRO 32 -3.998 13.370 -2.634 241 HD3 PRO 32 2HD PRO 32 -5.192 14.445 -3.379 242 H CYS 33 H CYS 33 -4.415 11.349 -1.043 243 HA CYS 33 HA CYS 33 -4.592 8.763 -0.024 244 HB2 CYS 33 1HB CYS 33 -3.619 11.046 1.663 245 HB3 CYS 33 2HB CYS 33 -2.981 9.411 1.544 246 H LYS 34 H LYS 34 -6.151 11.723 1.006 247 HA LYS 34 HA LYS 34 -7.088 10.741 3.474 248 HB2 LYS 34 1HB LYS 34 -6.909 13.144 2.903 249 HB3 LYS 34 2HB LYS 34 -8.245 12.955 1.777 250 HG2 LYS 34 1HG LYS 34 -9.766 12.471 3.546 251 HG3 LYS 34 2HG LYS 34 -8.453 12.374 4.720 252 HD2 LYS 34 1HD LYS 34 -9.607 14.494 4.935 253 HD3 LYS 34 2HD LYS 34 -7.965 14.755 4.346 254 HE2 LYS 34 1HE LYS 34 -8.838 14.934 2.056 255 HE3 LYS 34 2HE LYS 34 -10.474 14.720 2.676 256 HZ1 LYS 34 3HZ LYS 34 -10.154 16.747 4.002 257 HZ2 LYS 34 1HZ LYS 34 -10.025 17.039 2.341 258 HZ3 LYS 34 2HZ LYS 34 -8.634 16.964 3.294 259 H MET 35 H MET 35 -8.639 10.944 0.252 260 HA MET 35 HA MET 35 -11.136 9.980 1.210 261 HB2 MET 35 1HB MET 35 -11.788 9.732 -1.115 262 HB3 MET 35 2HB MET 35 -11.034 11.290 -0.830 263 HG2 MET 35 1HG MET 35 -8.992 10.507 -1.864 264 HG3 MET 35 2HG MET 35 -9.694 8.900 -2.053 265 HE1 MET 35 3HE MET 35 -9.631 10.059 -5.760 266 HE2 MET 35 1HE MET 35 -9.201 8.793 -4.610 267 HE3 MET 35 2HE MET 35 -8.405 10.366 -4.531 268 H ILE 36 H ILE 36 -8.472 8.288 -0.473 269 HA ILE 36 HA ILE 36 -9.931 5.827 -0.401 270 HB ILE 36 HB ILE 36 -8.457 5.149 -1.898 271 HG12 ILE 36 1HG1 ILE 36 -7.296 4.374 0.341 272 HG13 ILE 36 2HG1 ILE 36 -6.544 4.099 -1.212 273 HG21 ILE 36 1HG2 ILE 36 -8.048 7.452 -2.457 274 HG22 ILE 36 2HG2 ILE 36 -6.571 6.507 -2.644 275 HG23 ILE 36 3HG2 ILE 36 -6.777 7.551 -1.238 276 HD11 ILE 36 3HD1 ILE 36 -5.068 5.977 -0.863 277 HD12 ILE 36 1HD1 ILE 36 -4.988 4.883 0.530 278 HD13 ILE 36 2HD1 ILE 36 -5.914 6.394 0.633 279 H ALA 37 H ALA 37 -8.141 7.586 1.863 280 HA ALA 37 HA ALA 37 -7.027 5.566 3.413 281 HB1 ALA 37 1HB ALA 37 -6.882 7.163 5.186 282 HB2 ALA 37 2HB ALA 37 -8.111 8.176 4.426 283 HB3 ALA 37 3HB ALA 37 -6.536 7.959 3.641 284 HA PRO 38 HA PRO 38 -11.122 5.034 5.838 285 HB2 PRO 38 1HB PRO 38 -13.400 6.046 4.737 286 HB3 PRO 38 2HB PRO 38 -12.467 6.876 5.988 287 HG2 PRO 38 1HG PRO 38 -12.462 7.293 3.030 288 HG3 PRO 38 2HG PRO 38 -12.437 8.497 4.333 289 HD2 PRO 38 1HD PRO 38 -10.209 7.799 2.989 290 HD3 PRO 38 2HD PRO 38 -10.179 8.230 4.708 291 H MET 39 H MET 39 -11.151 5.289 2.297 292 HA MET 39 HA MET 39 -12.948 3.122 1.901 293 HB2 MET 39 1HB MET 39 -10.809 4.181 0.056 294 HB3 MET 39 2HB MET 39 -12.058 3.038 -0.409 295 HG2 MET 39 1HG MET 39 -12.472 5.870 0.516 296 HG3 MET 39 2HG MET 39 -12.655 5.257 -1.125 297 HE1 MET 39 3HE MET 39 -15.815 2.988 -0.842 298 HE2 MET 39 1HE MET 39 -14.126 2.493 -0.727 299 HE3 MET 39 2HE MET 39 -14.614 3.691 -1.924 300 H ILE 40 H ILE 40 -9.349 3.090 1.508 301 HA ILE 40 HA ILE 40 -9.312 0.281 1.429 302 HB ILE 40 HB ILE 40 -7.117 2.314 1.884 303 HG12 ILE 40 1HG1 ILE 40 -7.823 0.425 -0.380 304 HG13 ILE 40 2HG1 ILE 40 -8.217 2.139 -0.331 305 HG21 ILE 40 1HG2 ILE 40 -6.578 0.228 3.082 306 HG22 ILE 40 2HG2 ILE 40 -5.515 0.527 1.705 307 HG23 ILE 40 3HG2 ILE 40 -6.805 -0.672 1.581 308 HD11 ILE 40 3HD1 ILE 40 -5.506 0.880 -0.511 309 HD12 ILE 40 1HD1 ILE 40 -5.775 2.593 -0.181 310 HD13 ILE 40 2HD1 ILE 40 -6.331 1.892 -1.703 311 H GLU 41 H GLU 41 -9.369 2.482 4.155 312 HA GLU 41 HA GLU 41 -8.882 0.658 6.211 313 HB2 GLU 41 1HB GLU 41 -10.652 3.035 5.921 314 HB3 GLU 41 2HB GLU 41 -10.972 1.957 7.269 315 HG2 GLU 41 1HG GLU 41 -8.259 3.125 6.738 316 HG3 GLU 41 2HG GLU 41 -9.475 3.936 7.724 317 H LYS 42 H LYS 42 -11.933 1.259 4.441 318 HA LYS 42 HA LYS 42 -13.356 -0.849 5.625 319 HB2 LYS 42 1HB LYS 42 -14.604 0.770 4.408 320 HB3 LYS 42 2HB LYS 42 -13.626 0.550 2.968 321 HG2 LYS 42 1HG LYS 42 -15.898 -0.400 2.787 322 HG3 LYS 42 2HG LYS 42 -14.619 -1.589 2.545 323 HD2 LYS 42 1HD LYS 42 -14.935 -2.497 4.710 324 HD3 LYS 42 2HD LYS 42 -16.012 -1.175 5.183 325 HE2 LYS 42 1HE LYS 42 -17.572 -1.937 3.365 326 HE3 LYS 42 2HE LYS 42 -16.539 -3.352 3.166 327 HZ1 LYS 42 3HZ LYS 42 -16.955 -3.883 5.530 328 HZ2 LYS 42 1HZ LYS 42 -18.366 -3.897 4.591 329 HZ3 LYS 42 2HZ LYS 42 -18.041 -2.587 5.607 330 H PHE 43 H PHE 43 -11.173 -0.752 2.891 331 HA PHE 43 HA PHE 43 -11.663 -3.468 2.253 332 HB2 PHE 43 1HB PHE 43 -9.466 -1.643 1.324 333 HB3 PHE 43 2HB PHE 43 -9.716 -3.290 0.768 334 HD1 PHE 43 2HD PHE 43 -12.633 -1.304 1.514 335 HD2 PHE 43 1HD PHE 43 -9.903 -2.457 -1.539 336 HE1 PHE 43 2HE PHE 43 -14.220 -0.513 -0.201 337 HE2 PHE 43 1HE PHE 43 -11.482 -1.675 -3.256 338 HZ PHE 43 HZ PHE 43 -13.641 -0.701 -2.589 339 H SER 44 H SER 44 -9.769 -1.961 4.652 340 HA SER 44 HA SER 44 -7.895 -4.105 4.929 341 HB2 SER 44 1HB SER 44 -7.161 -3.024 6.883 342 HB3 SER 44 2HB SER 44 -7.666 -1.699 5.852 343 HG SER 44 HG SER 44 -9.735 -1.868 7.034 344 H GLU 45 H GLU 45 -11.151 -3.494 5.590 345 HA GLU 45 HA GLU 45 -11.424 -5.763 7.410 346 HB2 GLU 45 1HB GLU 45 -12.895 -3.778 7.621 347 HB3 GLU 45 2HB GLU 45 -13.522 -4.088 6.010 348 HG2 GLU 45 1HG GLU 45 -14.321 -6.305 6.845 349 HG3 GLU 45 2HG GLU 45 -13.871 -5.778 8.468 350 H GLN 46 H GLN 46 -11.503 -5.006 4.052 351 HA GLN 46 HA GLN 46 -13.024 -7.276 3.229 352 HB2 GLN 46 1HB GLN 46 -11.349 -5.436 1.554 353 HB3 GLN 46 2HB GLN 46 -12.537 -6.587 0.957 354 HG2 GLN 46 1HG GLN 46 -13.096 -4.188 2.687 355 HG3 GLN 46 2HG GLN 46 -13.435 -4.340 0.962 356 HE21 GLN 46 1HE2 GLN 46 -14.387 -5.269 4.160 357 HE22 GLN 46 2HE2 GLN 46 -15.916 -5.952 3.729 358 H TYR 47 H TYR 47 -9.623 -6.630 3.537 359 HA TYR 47 HA TYR 47 -9.252 -9.444 2.829 360 HB2 TYR 47 1HB TYR 47 -6.803 -8.873 2.357 361 HB3 TYR 47 2HB TYR 47 -8.019 -8.593 1.134 362 HD1 TYR 47 1HD TYR 47 -8.839 -6.295 0.773 363 HD2 TYR 47 2HD TYR 47 -5.365 -7.082 3.127 364 HE1 TYR 47 1HE TYR 47 -8.026 -3.998 0.357 365 HE2 TYR 47 2HE TYR 47 -4.577 -4.810 2.718 366 HH TYR 47 HH TYR 47 -4.875 -3.046 0.986 367 HA PRO 48 HA PRO 48 -7.750 -9.391 7.111 368 HB2 PRO 48 1HB PRO 48 -9.101 -11.577 7.910 369 HB3 PRO 48 2HB PRO 48 -9.845 -9.975 7.901 370 HG2 PRO 48 1HG PRO 48 -10.133 -12.210 5.941 371 HG3 PRO 48 2HG PRO 48 -11.366 -11.101 6.564 372 HD2 PRO 48 1HD PRO 48 -10.131 -10.834 4.121 373 HD3 PRO 48 2HD PRO 48 -10.863 -9.491 5.021 374 H GLN 49 H GLN 49 -7.783 -11.469 4.402 375 HA GLN 49 HA GLN 49 -5.936 -13.408 5.556 376 HB2 GLN 49 1HB GLN 49 -6.208 -14.651 3.521 377 HB3 GLN 49 2HB GLN 49 -7.793 -14.146 4.067 378 HG2 GLN 49 1HG GLN 49 -8.189 -13.186 2.123 379 HG3 GLN 49 2HG GLN 49 -6.778 -12.147 2.332 380 HE21 GLN 49 1HE2 GLN 49 -4.773 -12.870 1.545 381 HE22 GLN 49 2HE2 GLN 49 -4.677 -14.007 0.247 382 H ALA 50 H ALA 50 -5.748 -10.429 4.171 383 HA ALA 50 HA ALA 50 -3.017 -10.896 3.220 384 HB1 ALA 50 1HB ALA 50 -4.566 -10.540 1.305 385 HB2 ALA 50 2HB ALA 50 -3.330 -9.290 1.445 386 HB3 ALA 50 3HB ALA 50 -4.976 -8.963 1.977 387 H ASP 51 H ASP 51 -1.784 -8.753 3.244 388 HA ASP 51 HA ASP 51 -2.488 -7.523 5.791 389 HB2 ASP 51 1HB ASP 51 0.135 -8.037 4.462 390 HB3 ASP 51 2HB ASP 51 0.004 -6.758 5.668 391 H PHE 52 H PHE 52 -3.292 -5.684 5.849 392 HA PHE 52 HA PHE 52 -3.062 -3.809 3.635 393 HB2 PHE 52 1HB PHE 52 -4.862 -2.647 5.210 394 HB3 PHE 52 2HB PHE 52 -5.303 -3.977 4.149 395 HD1 PHE 52 1HD PHE 52 -5.620 -6.252 5.086 396 HD2 PHE 52 2HD PHE 52 -4.910 -2.880 7.553 397 HE1 PHE 52 1HE PHE 52 -6.431 -7.511 7.035 398 HE2 PHE 52 2HE PHE 52 -5.721 -4.119 9.507 399 HZ PHE 52 HZ PHE 52 -6.478 -6.448 9.253 400 H TYR 53 H TYR 53 -1.400 -2.312 3.828 401 HA TYR 53 HA TYR 53 -1.177 -0.928 6.423 402 HB2 TYR 53 1HB TYR 53 1.230 -1.657 4.746 403 HB3 TYR 53 2HB TYR 53 1.228 -0.891 6.337 404 HD1 TYR 53 2HD TYR 53 -0.188 -2.398 8.124 405 HD2 TYR 53 1HD TYR 53 1.942 -3.842 4.752 406 HE1 TYR 53 2HE TYR 53 0.066 -4.578 9.233 407 HE2 TYR 53 1HE TYR 53 2.206 -6.027 5.845 408 HH TYR 53 HH TYR 53 0.440 -6.987 8.486 409 H LYS 54 H LYS 54 -0.438 1.263 6.297 410 HA LYS 54 HA LYS 54 -0.087 2.354 3.571 411 HB2 LYS 54 1HB LYS 54 -1.431 3.892 5.803 412 HB3 LYS 54 2HB LYS 54 -1.278 4.374 4.126 413 HG2 LYS 54 1HG LYS 54 -2.996 2.134 5.169 414 HG3 LYS 54 2HG LYS 54 -3.558 3.720 4.679 415 HD2 LYS 54 1HD LYS 54 -3.741 3.056 2.541 416 HD3 LYS 54 2HD LYS 54 -2.042 2.507 2.556 417 HE2 LYS 54 1HE LYS 54 -2.852 0.426 3.724 418 HE3 LYS 54 2HE LYS 54 -4.493 0.967 3.378 419 HZ1 LYS 54 3HZ LYS 54 -3.807 -0.538 1.681 420 HZ2 LYS 54 1HZ LYS 54 -2.370 0.314 1.412 421 HZ3 LYS 54 2HZ LYS 54 -3.855 1.008 0.997 422 H LEU 55 H LEU 55 1.595 3.912 3.359 423 HA LEU 55 HA LEU 55 3.312 4.165 5.759 424 HB2 LEU 55 1HB LEU 55 3.999 4.934 2.918 425 HB3 LEU 55 2HB LEU 55 5.087 4.888 4.276 426 HG LEU 55 HG LEU 55 3.761 2.484 3.048 427 HD11 LEU 55 1HD1 LEU 55 5.446 3.442 1.586 428 HD12 LEU 55 2HD1 LEU 55 6.008 1.921 2.280 429 HD13 LEU 55 3HD1 LEU 55 6.604 3.454 2.915 430 HD21 LEU 55 3HD2 LEU 55 4.124 2.124 5.386 431 HD22 LEU 55 1HD2 LEU 55 5.761 2.766 5.270 432 HD23 LEU 55 2HD2 LEU 55 5.356 1.246 4.480 433 H ASP 56 H ASP 56 3.809 6.111 6.685 434 HA ASP 56 HA ASP 56 2.629 8.568 5.643 435 HB2 ASP 56 1HB ASP 56 4.364 7.913 8.036 436 HB3 ASP 56 2HB ASP 56 3.992 9.566 7.573 437 H VAL 57 H VAL 57 3.616 9.217 3.807 438 HA VAL 57 HA VAL 57 6.153 8.436 2.990 439 HB VAL 57 HB VAL 57 4.032 9.524 1.777 440 HG11 VAL 57 1HG1 VAL 57 4.463 11.778 2.641 441 HG12 VAL 57 2HG1 VAL 57 4.534 11.714 0.878 442 HG13 VAL 57 3HG1 VAL 57 6.023 11.782 1.820 443 HG21 VAL 57 3HG2 VAL 57 5.447 9.701 -0.238 444 HG22 VAL 57 1HG2 VAL 57 5.682 8.216 0.682 445 HG23 VAL 57 2HG2 VAL 57 6.868 9.517 0.793 446 H ASP 58 H ASP 58 5.367 10.878 5.243 447 HA ASP 58 HA ASP 58 7.494 12.687 4.610 448 HB2 ASP 58 1HB ASP 58 6.957 13.797 6.691 449 HB3 ASP 58 2HB ASP 58 5.463 13.372 5.866 450 H GLU 59 H GLU 59 7.079 9.942 6.756 451 HA GLU 59 HA GLU 59 9.920 10.108 7.479 452 HB2 GLU 59 1HB GLU 59 7.641 8.503 8.634 453 HB3 GLU 59 2HB GLU 59 9.321 8.261 9.098 454 HG2 GLU 59 1HG GLU 59 7.746 10.805 9.414 455 HG3 GLU 59 2HG GLU 59 8.167 9.671 10.697 456 H LEU 60 H LEU 60 7.756 8.522 5.415 457 HA LEU 60 HA LEU 60 9.725 6.407 4.903 458 HB2 LEU 60 1HB LEU 60 6.755 6.495 4.321 459 HB3 LEU 60 2HB LEU 60 7.837 5.334 3.571 460 HG LEU 60 HG LEU 60 6.805 4.237 5.387 461 HD11 LEU 60 1HD1 LEU 60 9.541 5.049 6.332 462 HD12 LEU 60 2HD1 LEU 60 9.223 3.839 5.087 463 HD13 LEU 60 3HD1 LEU 60 8.668 3.573 6.742 464 HD21 LEU 60 3HD2 LEU 60 7.665 6.526 7.143 465 HD22 LEU 60 1HD2 LEU 60 6.872 5.048 7.689 466 HD23 LEU 60 2HD2 LEU 60 6.015 6.170 6.631 467 H GLY 61 H GLY 61 10.346 8.900 4.003 468 HA2 GLY 61 1HA GLY 61 9.611 9.191 1.233 469 HA3 GLY 61 2HA GLY 61 10.850 10.099 2.090 470 H ASP 62 H ASP 62 12.252 7.755 3.031 471 HA ASP 62 HA ASP 62 14.012 7.368 0.852 472 HB2 ASP 62 1HB ASP 62 13.784 5.709 3.370 473 HB3 ASP 62 2HB ASP 62 15.162 5.754 2.279 474 H VAL 63 H VAL 63 11.578 5.259 2.349 475 HA VAL 63 HA VAL 63 12.009 3.094 0.579 476 HB VAL 63 HB VAL 63 10.885 2.598 2.637 477 HG11 VAL 63 1HG1 VAL 63 8.679 4.431 1.793 478 HG12 VAL 63 2HG1 VAL 63 9.893 4.779 3.025 479 HG13 VAL 63 3HG1 VAL 63 8.754 3.453 3.261 480 HG21 VAL 63 3HG2 VAL 63 8.932 2.394 0.363 481 HG22 VAL 63 1HG2 VAL 63 8.854 1.475 1.867 482 HG23 VAL 63 2HG2 VAL 63 10.201 1.230 0.754 483 H ALA 64 H ALA 64 9.839 5.870 0.501 484 HA ALA 64 HA ALA 64 8.379 5.246 -1.785 485 HB1 ALA 64 1HB ALA 64 8.016 7.641 -2.026 486 HB2 ALA 64 2HB ALA 64 9.345 7.969 -0.913 487 HB3 ALA 64 3HB ALA 64 7.887 7.160 -0.333 488 H GLN 65 H GLN 65 11.443 7.013 -1.493 489 HA GLN 65 HA GLN 65 11.886 7.343 -4.247 490 HB2 GLN 65 1HB GLN 65 13.799 7.276 -1.910 491 HB3 GLN 65 2HB GLN 65 14.275 7.718 -3.547 492 HG2 GLN 65 1HG GLN 65 12.837 9.625 -3.523 493 HG3 GLN 65 2HG GLN 65 12.128 9.132 -1.985 494 HE21 GLN 65 1HE2 GLN 65 13.274 9.434 -0.102 495 HE22 GLN 65 2HE2 GLN 65 14.676 10.444 -0.012 496 H LYS 66 H LYS 66 12.562 4.683 -2.080 497 HA LYS 66 HA LYS 66 14.326 3.330 -3.825 498 HB2 LYS 66 1HB LYS 66 14.763 2.197 -1.968 499 HB3 LYS 66 2HB LYS 66 13.461 3.059 -1.161 500 HG2 LYS 66 1HG LYS 66 11.901 1.354 -2.024 501 HG3 LYS 66 2HG LYS 66 13.287 0.439 -2.612 502 HD2 LYS 66 1HD LYS 66 14.178 0.324 -0.330 503 HD3 LYS 66 2HD LYS 66 12.780 1.220 0.262 504 HE2 LYS 66 1HE LYS 66 12.473 -1.137 0.677 505 HE3 LYS 66 2HE LYS 66 11.316 -0.590 -0.535 506 HZ1 LYS 66 3HZ LYS 66 12.335 -2.719 -1.114 507 HZ2 LYS 66 1HZ LYS 66 13.861 -1.997 -1.130 508 HZ3 LYS 66 2HZ LYS 66 12.694 -1.531 -2.259 509 H ASN 67 H ASN 67 10.880 3.450 -3.482 510 HA ASN 67 HA ASN 67 10.562 1.208 -5.338 511 HB2 ASN 67 1HB ASN 67 8.599 2.779 -3.679 512 HB3 ASN 67 2HB ASN 67 8.077 1.682 -4.950 513 HD21 ASN 67 1HD2 ASN 67 9.499 1.965 -1.809 514 HD22 ASN 67 2HD2 ASN 67 9.376 0.292 -1.389 515 H GLU 68 H GLU 68 11.329 4.283 -5.659 516 HA GLU 68 HA GLU 68 11.232 5.845 -7.292 517 HB2 GLU 68 1HB GLU 68 9.960 3.652 -8.937 518 HB3 GLU 68 2HB GLU 68 10.645 5.144 -9.563 519 HG2 GLU 68 1HG GLU 68 12.852 4.464 -8.749 520 HG3 GLU 68 2HG GLU 68 12.159 2.959 -8.149 521 H VAL 69 H VAL 69 9.265 5.979 -5.421 522 HA VAL 69 HA VAL 69 6.704 6.328 -6.750 523 HB VAL 69 HB VAL 69 7.530 6.741 -3.872 524 HG11 VAL 69 1HG1 VAL 69 4.765 6.772 -5.070 525 HG12 VAL 69 2HG1 VAL 69 5.643 8.181 -4.477 526 HG13 VAL 69 3HG1 VAL 69 5.162 6.905 -3.357 527 HG21 VAL 69 3HG2 VAL 69 7.610 4.420 -4.572 528 HG22 VAL 69 1HG2 VAL 69 5.969 4.535 -5.204 529 HG23 VAL 69 2HG2 VAL 69 6.258 4.684 -3.470 530 H SER 70 H SER 70 6.133 8.177 -7.669 531 HA SER 70 HA SER 70 7.289 10.672 -6.623 532 HB2 SER 70 1HB SER 70 7.051 11.531 -9.003 533 HB3 SER 70 2HB SER 70 8.302 10.314 -8.749 534 HG SER 70 HG SER 70 7.299 9.071 -10.096 535 H ALA 71 H ALA 71 4.507 8.910 -7.043 536 HA ALA 71 HA ALA 71 2.841 11.340 -7.016 537 HB1 ALA 71 1HB ALA 71 2.141 8.672 -8.237 538 HB2 ALA 71 2HB ALA 71 2.547 10.142 -9.122 539 HB3 ALA 71 3HB ALA 71 1.080 10.076 -8.147 540 H MET 72 H MET 72 0.814 11.127 -5.841 541 HA MET 72 HA MET 72 0.855 8.994 -3.834 542 HB2 MET 72 1HB MET 72 -0.041 10.783 -2.208 543 HB3 MET 72 2HB MET 72 1.680 10.760 -2.557 544 HG2 MET 72 1HG MET 72 1.090 13.012 -2.598 545 HG3 MET 72 2HG MET 72 1.198 12.550 -4.293 546 HE1 MET 72 3HE MET 72 -0.141 14.645 -5.132 547 HE2 MET 72 1HE MET 72 -0.166 15.226 -3.467 548 HE3 MET 72 2HE MET 72 -1.656 15.188 -4.410 549 HA PRO 73 HA PRO 73 -0.160 7.999 -2.587 550 HB2 PRO 73 1HB PRO 73 -2.060 5.892 -2.597 551 HB3 PRO 73 2HB PRO 73 -1.834 7.112 -1.343 552 HG2 PRO 73 1HG PRO 73 -4.083 6.856 -2.967 553 HG3 PRO 73 2HG PRO 73 -3.649 8.292 -2.025 554 HD2 PRO 73 1HD PRO 73 -3.223 7.726 -4.930 555 HD3 PRO 73 2HD PRO 73 -3.646 9.251 -4.129 556 H THR 74 H THR 74 0.690 5.717 -2.756 557 HA THR 74 HA THR 74 0.483 4.661 -5.473 558 HB THR 74 HB THR 74 3.047 4.904 -3.885 559 HG1 THR 74 1HG THR 74 2.309 6.816 -5.042 560 HG21 THR 74 3HG2 THR 74 4.128 3.886 -5.839 561 HG22 THR 74 1HG2 THR 74 2.548 3.643 -6.583 562 HG23 THR 74 2HG2 THR 74 2.966 2.786 -5.101 563 H LEU 75 H LEU 75 -0.314 2.698 -5.408 564 HA LEU 75 HA LEU 75 -0.220 1.221 -2.888 565 HB2 LEU 75 1HB LEU 75 -2.116 1.370 -5.165 566 HB3 LEU 75 2HB LEU 75 -1.966 -0.155 -4.321 567 HG LEU 75 HG LEU 75 -3.850 1.223 -3.500 568 HD11 LEU 75 1HD1 LEU 75 -1.621 0.751 -1.532 569 HD12 LEU 75 2HD1 LEU 75 -2.873 -0.392 -2.010 570 HD13 LEU 75 3HD1 LEU 75 -3.304 1.056 -1.102 571 HD21 LEU 75 3HD2 LEU 75 -3.340 3.217 -2.125 572 HD22 LEU 75 1HD2 LEU 75 -2.962 3.436 -3.834 573 HD23 LEU 75 2HD2 LEU 75 -1.667 3.133 -2.678 574 H LEU 76 H LEU 76 1.396 -0.164 -2.813 575 HA LEU 76 HA LEU 76 1.830 -1.849 -5.185 576 HB2 LEU 76 1HB LEU 76 3.970 -1.150 -3.170 577 HB3 LEU 76 2HB LEU 76 4.178 -1.931 -4.723 578 HG LEU 76 HG LEU 76 3.368 0.950 -4.340 579 HD11 LEU 76 1HD1 LEU 76 6.020 -0.239 -5.140 580 HD12 LEU 76 2HD1 LEU 76 5.660 0.539 -3.599 581 HD13 LEU 76 3HD1 LEU 76 5.626 1.479 -5.091 582 HD21 LEU 76 3HD2 LEU 76 4.143 -0.597 -6.803 583 HD22 LEU 76 1HD2 LEU 76 3.827 1.137 -6.732 584 HD23 LEU 76 2HD2 LEU 76 2.526 -0.011 -6.408 585 H LEU 77 H LEU 77 1.005 -3.773 -4.720 586 HA LEU 77 HA LEU 77 1.378 -4.753 -1.992 587 HB2 LEU 77 1HB LEU 77 0.093 -6.701 -3.562 588 HB3 LEU 77 2HB LEU 77 -0.579 -5.728 -2.273 589 HG LEU 77 HG LEU 77 -0.521 -4.887 -5.176 590 HD11 LEU 77 1HD1 LEU 77 -2.658 -6.159 -3.463 591 HD12 LEU 77 2HD1 LEU 77 -1.890 -6.850 -4.903 592 HD13 LEU 77 3HD1 LEU 77 -2.946 -5.446 -5.052 593 HD21 LEU 77 3HD2 LEU 77 -0.679 -3.077 -3.404 594 HD22 LEU 77 1HD2 LEU 77 -2.223 -3.793 -2.942 595 HD23 LEU 77 2HD2 LEU 77 -2.004 -3.145 -4.567 596 H PHE 78 H PHE 78 2.848 -6.170 -1.477 597 HA PHE 78 HA PHE 78 4.436 -7.264 -3.670 598 HB2 PHE 78 1HB PHE 78 5.144 -6.374 -0.908 599 HB3 PHE 78 2HB PHE 78 6.165 -7.537 -1.737 600 HD1 PHE 78 2HD PHE 78 4.695 -4.141 -2.068 601 HD2 PHE 78 1HD PHE 78 7.793 -6.815 -3.229 602 HE1 PHE 78 2HE PHE 78 5.862 -2.294 -3.200 603 HE2 PHE 78 1HE PHE 78 8.967 -4.973 -4.361 604 HZ PHE 78 HZ PHE 78 7.999 -2.709 -4.347 605 H LYS 79 H LYS 79 5.452 -9.326 -3.360 606 HA LYS 79 HA LYS 79 4.118 -11.124 -1.481 607 HB2 LYS 79 1HB LYS 79 2.829 -11.204 -3.515 608 HB3 LYS 79 2HB LYS 79 4.275 -11.404 -4.484 609 HG2 LYS 79 1HG LYS 79 4.594 -13.618 -3.468 610 HG3 LYS 79 2HG LYS 79 3.121 -13.385 -2.523 611 HD2 LYS 79 1HD LYS 79 1.841 -13.159 -4.613 612 HD3 LYS 79 2HD LYS 79 3.317 -13.449 -5.534 613 HE2 LYS 79 1HE LYS 79 1.997 -15.478 -5.384 614 HE3 LYS 79 2HE LYS 79 3.513 -15.664 -4.504 615 HZ1 LYS 79 3HZ LYS 79 1.587 -16.546 -3.296 616 HZ2 LYS 79 1HZ LYS 79 0.903 -15.002 -3.256 617 HZ3 LYS 79 2HZ LYS 79 2.357 -15.309 -2.444 618 H ASN 80 H ASN 80 5.677 -12.175 -0.435 619 HA ASN 80 HA ASN 80 7.827 -12.701 0.183 620 HB2 ASN 80 1HB ASN 80 8.799 -14.546 -1.219 621 HB3 ASN 80 2HB ASN 80 7.141 -14.802 -0.709 622 HD21 ASN 80 1HD2 ASN 80 5.524 -14.851 -2.204 623 HD22 ASN 80 2HD2 ASN 80 5.804 -14.864 -3.912 624 H GLY 81 H GLY 81 7.942 -10.214 -0.927 625 HA2 GLY 81 1HA GLY 81 9.641 -8.725 -1.342 626 HA3 GLY 81 2HA GLY 81 10.748 -10.082 -1.421 627 H LYS 82 H LYS 82 8.273 -10.652 -3.602 628 HA LYS 82 HA LYS 82 10.012 -9.679 -5.767 629 HB2 LYS 82 1HB LYS 82 8.270 -12.131 -5.574 630 HB3 LYS 82 2HB LYS 82 9.021 -11.590 -7.060 631 HG2 LYS 82 1HG LYS 82 11.230 -11.832 -6.034 632 HG3 LYS 82 2HG LYS 82 10.461 -12.395 -4.548 633 HD2 LYS 82 1HD LYS 82 9.528 -14.304 -5.744 634 HD3 LYS 82 2HD LYS 82 10.264 -13.734 -7.243 635 HE2 LYS 82 1HE LYS 82 12.486 -13.954 -6.209 636 HE3 LYS 82 2HE LYS 82 11.729 -14.573 -4.744 637 HZ1 LYS 82 3HZ LYS 82 10.852 -16.429 -6.058 638 HZ2 LYS 82 1HZ LYS 82 12.541 -16.377 -6.086 639 HZ3 LYS 82 2HZ LYS 82 11.659 -15.846 -7.426 640 H GLU 83 H GLU 83 7.455 -8.749 -4.267 641 HA GLU 83 HA GLU 83 5.737 -7.378 -4.716 642 HB2 GLU 83 1HB GLU 83 7.446 -6.496 -6.427 643 HB3 GLU 83 2HB GLU 83 6.507 -7.376 -7.620 644 HG2 GLU 83 1HG GLU 83 4.544 -6.051 -7.088 645 HG3 GLU 83 2HG GLU 83 5.443 -5.200 -5.833 646 H VAL 84 H VAL 84 3.666 -7.245 -6.175 647 HA VAL 84 HA VAL 84 3.089 -9.759 -7.506 648 HB VAL 84 HB VAL 84 2.322 -9.700 -5.007 649 HG11 VAL 84 1HG1 VAL 84 -0.064 -8.992 -4.827 650 HG12 VAL 84 2HG1 VAL 84 0.134 -8.164 -6.372 651 HG13 VAL 84 3HG1 VAL 84 1.097 -7.671 -4.980 652 HG21 VAL 84 3HG2 VAL 84 1.902 -11.535 -6.489 653 HG22 VAL 84 1HG2 VAL 84 0.578 -10.656 -7.255 654 HG23 VAL 84 2HG2 VAL 84 0.439 -11.171 -5.571 655 H ALA 85 H ALA 85 2.210 -6.454 -6.757 656 HA ALA 85 HA ALA 85 1.259 -6.028 -9.458 657 HB1 ALA 85 1HB ALA 85 -0.613 -5.586 -7.138 658 HB2 ALA 85 2HB ALA 85 -0.785 -6.839 -8.370 659 HB3 ALA 85 3HB ALA 85 -0.914 -5.134 -8.817 660 H LYS 86 H LYS 86 0.677 -3.734 -9.796 661 HA LYS 86 HA LYS 86 1.764 -1.923 -7.826 662 HB2 LYS 86 1HB LYS 86 3.739 -2.564 -9.061 663 HB3 LYS 86 2HB LYS 86 2.933 -2.255 -10.589 664 HG2 LYS 86 1HG LYS 86 2.959 0.087 -10.228 665 HG3 LYS 86 2HG LYS 86 3.481 -0.115 -8.555 666 HD2 LYS 86 1HD LYS 86 5.564 -1.190 -9.420 667 HD3 LYS 86 2HD LYS 86 5.048 -0.752 -11.049 668 HE2 LYS 86 1HE LYS 86 5.055 1.605 -10.417 669 HE3 LYS 86 2HE LYS 86 5.554 1.172 -8.783 670 HZ1 LYS 86 3HZ LYS 86 7.439 1.868 -10.109 671 HZ2 LYS 86 1HZ LYS 86 7.109 0.678 -11.261 672 HZ3 LYS 86 2HZ LYS 86 7.590 0.232 -9.704 673 H VAL 87 H VAL 87 0.268 -0.400 -7.632 674 HA VAL 87 HA VAL 87 -0.910 0.711 -10.105 675 HB VAL 87 HB VAL 87 -2.212 0.778 -7.373 676 HG11 VAL 87 1HG1 VAL 87 -4.210 1.442 -8.662 677 HG12 VAL 87 2HG1 VAL 87 -3.233 1.451 -10.130 678 HG13 VAL 87 3HG1 VAL 87 -2.877 2.591 -8.828 679 HG21 VAL 87 3HG2 VAL 87 -2.074 -1.547 -8.216 680 HG22 VAL 87 1HG2 VAL 87 -2.932 -1.041 -9.672 681 HG23 VAL 87 2HG2 VAL 87 -3.733 -0.952 -8.097 682 H VAL 88 H VAL 88 -0.913 2.917 -10.314 683 HA VAL 88 HA VAL 88 0.519 4.391 -8.230 684 HB VAL 88 HB VAL 88 1.312 5.657 -10.492 685 HG11 VAL 88 1HG1 VAL 88 2.626 4.942 -8.503 686 HG12 VAL 88 2HG1 VAL 88 3.473 4.714 -10.033 687 HG13 VAL 88 3HG1 VAL 88 2.741 3.332 -9.215 688 HG21 VAL 88 3HG2 VAL 88 2.179 3.805 -11.974 689 HG22 VAL 88 1HG2 VAL 88 0.436 4.074 -12.037 690 HG23 VAL 88 2HG2 VAL 88 1.082 2.717 -11.113 691 H GLY 89 H GLY 89 -1.371 5.274 -7.496 692 HA2 GLY 89 1HA GLY 89 -2.008 7.789 -8.111 693 HA3 GLY 89 2HA GLY 89 -2.989 6.903 -9.274 694 H ALA 90 H ALA 90 -4.566 8.239 -7.853 695 HA ALA 90 HA ALA 90 -5.249 7.140 -5.308 696 HB1 ALA 90 1HB ALA 90 -7.170 8.584 -5.405 697 HB2 ALA 90 2HB ALA 90 -6.966 8.808 -7.141 698 HB3 ALA 90 3HB ALA 90 -5.772 9.469 -6.022 699 H ASN 91 H ASN 91 -5.589 4.942 -5.462 700 HA ASN 91 HA ASN 91 -7.700 4.074 -7.322 701 HB2 ASN 91 1HB ASN 91 -6.558 1.898 -7.449 702 HB3 ASN 91 2HB ASN 91 -5.529 3.209 -8.012 703 HD21 ASN 91 1HD2 ASN 91 -5.016 0.479 -6.887 704 HD22 ASN 91 2HD2 ASN 91 -3.883 0.738 -5.611 705 HA PRO 92 HA PRO 92 -9.114 2.731 -3.069 706 HB2 PRO 92 1HB PRO 92 -11.662 3.952 -3.851 707 HB3 PRO 92 2HB PRO 92 -10.715 4.199 -2.384 708 HG2 PRO 92 1HG PRO 92 -10.971 6.096 -4.298 709 HG3 PRO 92 2HG PRO 92 -9.525 5.939 -3.286 710 HD2 PRO 92 1HD PRO 92 -9.971 5.065 -6.115 711 HD3 PRO 92 2HD PRO 92 -8.522 5.772 -5.369 712 H ALA 93 H ALA 93 -10.594 2.875 -6.273 713 HA ALA 93 HA ALA 93 -12.055 0.397 -5.827 714 HB1 ALA 93 1HB ALA 93 -13.130 2.223 -7.068 715 HB2 ALA 93 2HB ALA 93 -12.992 0.754 -8.034 716 HB3 ALA 93 3HB ALA 93 -11.885 2.098 -8.311 717 H ALA 94 H ALA 94 -9.383 1.604 -7.798 718 HA ALA 94 HA ALA 94 -8.995 -0.851 -9.209 719 HB1 ALA 94 1HB ALA 94 -6.831 0.245 -9.930 720 HB2 ALA 94 2HB ALA 94 -7.354 1.656 -9.011 721 HB3 ALA 94 3HB ALA 94 -8.323 1.078 -10.360 722 H ILE 95 H ILE 95 -7.949 0.300 -6.108 723 HA ILE 95 HA ILE 95 -5.727 -1.340 -5.721 724 HB ILE 95 HB ILE 95 -6.681 0.233 -3.967 725 HG12 ILE 95 1HG1 ILE 95 -5.731 -0.973 -2.154 726 HG13 ILE 95 2HG1 ILE 95 -6.208 -2.532 -2.832 727 HG21 ILE 95 1HG2 ILE 95 -8.324 -0.602 -2.408 728 HG22 ILE 95 2HG2 ILE 95 -8.457 -2.111 -3.323 729 HG23 ILE 95 3HG2 ILE 95 -8.997 -0.584 -4.040 730 HD11 ILE 95 3HD1 ILE 95 -4.531 -2.345 -4.539 731 HD12 ILE 95 1HD1 ILE 95 -3.786 -2.070 -2.967 732 HD13 ILE 95 2HD1 ILE 95 -4.131 -0.705 -4.029 733 H LYS 96 H LYS 96 -9.146 -2.005 -5.726 734 HA LYS 96 HA LYS 96 -9.047 -4.609 -4.734 735 HB2 LYS 96 1HB LYS 96 -11.062 -3.064 -5.023 736 HB3 LYS 96 2HB LYS 96 -11.089 -3.606 -6.697 737 HG2 LYS 96 1HG LYS 96 -12.636 -4.923 -5.458 738 HG3 LYS 96 2HG LYS 96 -11.244 -5.921 -5.880 739 HD2 LYS 96 1HD LYS 96 -10.303 -5.578 -3.643 740 HD3 LYS 96 2HD LYS 96 -11.704 -4.585 -3.218 741 HE2 LYS 96 1HE LYS 96 -11.754 -7.511 -3.954 742 HE3 LYS 96 2HE LYS 96 -11.967 -6.838 -2.340 743 HZ1 LYS 96 3HZ LYS 96 -14.087 -7.392 -3.317 744 HZ2 LYS 96 1HZ LYS 96 -13.775 -6.415 -4.660 745 HZ3 LYS 96 2HZ LYS 96 -13.972 -5.720 -3.131 746 H GLN 97 H GLN 97 -8.674 -3.291 -7.960 747 HA GLN 97 HA GLN 97 -8.604 -5.607 -9.483 748 HB2 GLN 97 1HB GLN 97 -8.450 -3.404 -10.495 749 HB3 GLN 97 2HB GLN 97 -6.930 -3.090 -9.682 750 HG2 GLN 97 1HG GLN 97 -7.068 -5.420 -11.524 751 HG3 GLN 97 2HG GLN 97 -7.053 -3.807 -12.226 752 HE21 GLN 97 1HE2 GLN 97 -5.204 -6.249 -10.631 753 HE22 GLN 97 2HE2 GLN 97 -3.669 -5.444 -10.697 754 H ALA 98 H ALA 98 -5.858 -3.987 -7.888 755 HA ALA 98 HA ALA 98 -4.087 -6.175 -8.368 756 HB1 ALA 98 1HB ALA 98 -3.824 -3.813 -6.492 757 HB2 ALA 98 2HB ALA 98 -3.216 -3.902 -8.143 758 HB3 ALA 98 3HB ALA 98 -2.511 -4.927 -6.889 759 H ILE 99 H ILE 99 -6.147 -5.242 -5.814 760 HA ILE 99 HA ILE 99 -4.847 -6.787 -3.816 761 HB ILE 99 HB ILE 99 -6.603 -4.660 -3.809 762 HG12 ILE 99 1HG1 ILE 99 -4.764 -5.155 -2.270 763 HG13 ILE 99 2HG1 ILE 99 -6.241 -4.730 -1.399 764 HG21 ILE 99 1HG2 ILE 99 -8.542 -5.128 -2.664 765 HG22 ILE 99 2HG2 ILE 99 -8.011 -6.762 -2.242 766 HG23 ILE 99 3HG2 ILE 99 -8.467 -6.388 -3.905 767 HD11 ILE 99 3HD1 ILE 99 -5.843 -7.590 -1.995 768 HD12 ILE 99 1HD1 ILE 99 -6.482 -6.810 -0.546 769 HD13 ILE 99 2HD1 ILE 99 -4.735 -6.871 -0.808 770 H ALA 100 H ALA 100 -7.723 -7.251 -5.768 771 HA ALA 100 HA ALA 100 -8.392 -9.632 -4.265 772 HB1 ALA 100 1HB ALA 100 -10.403 -9.740 -5.627 773 HB2 ALA 100 2HB ALA 100 -9.792 -8.454 -6.667 774 HB3 ALA 100 3HB ALA 100 -10.187 -8.113 -4.983 775 H ALA 101 H ALA 101 -7.214 -8.731 -7.461 776 HA ALA 101 HA ALA 101 -7.405 -11.351 -8.552 777 HB1 ALA 101 1HB ALA 101 -6.116 -10.467 -10.418 778 HB2 ALA 101 2HB ALA 101 -5.749 -9.014 -9.488 779 HB3 ALA 101 3HB ALA 101 -7.412 -9.360 -9.965 780 H ASN 102 H ASN 102 -4.825 -9.541 -6.927 781 HA ASN 102 HA ASN 102 -2.949 -11.680 -7.573 782 HB2 ASN 102 1HB ASN 102 -2.555 -9.094 -6.089 783 HB3 ASN 102 2HB ASN 102 -1.278 -10.275 -6.362 784 HD21 ASN 102 1HD2 ASN 102 -3.179 -7.791 -7.691 785 HD22 ASN 102 2HD2 ASN 102 -2.437 -7.738 -9.258 786 H ALA 103 H ALA 103 -4.108 -10.204 -4.528 787 HA ALA 103 HA ALA 103 -2.900 -11.800 -2.678 788 HB1 ALA 103 1HB ALA 103 -4.625 -11.280 -1.145 789 HB2 ALA 103 2HB ALA 103 -5.810 -11.083 -2.433 790 HB3 ALA 103 3HB ALA 103 -4.518 -9.903 -2.242 Start of MODEL 3 1 H1 MET 1 1H MET 1 -9.323 -2.320 10.219 2 H2 MET 1 2H MET 1 -8.024 -3.378 9.989 3 H3 MET 1 3H MET 1 -8.582 -2.433 8.701 4 HA MET 1 HA MET 1 -7.898 -0.428 9.812 5 HB2 MET 1 1HB MET 1 -6.871 -2.356 11.906 6 HB3 MET 1 2HB MET 1 -6.431 -0.657 11.828 7 HG2 MET 1 1HG MET 1 -8.751 -0.024 12.181 8 HG3 MET 1 2HG MET 1 -9.216 -1.723 12.219 9 HE1 MET 1 3HE MET 1 -7.492 -2.988 15.490 10 HE2 MET 1 1HE MET 1 -6.797 -3.031 13.870 11 HE3 MET 1 2HE MET 1 -8.502 -3.413 14.109 12 H VAL 2 H VAL 2 -5.922 0.408 9.178 13 HA VAL 2 HA VAL 2 -4.006 -1.583 8.205 14 HB VAL 2 HB VAL 2 -4.646 -0.892 6.189 15 HG11 VAL 2 1HG1 VAL 2 -5.690 1.189 5.620 16 HG12 VAL 2 2HG1 VAL 2 -5.342 1.831 7.229 17 HG13 VAL 2 3HG1 VAL 2 -6.464 0.485 7.039 18 HG21 VAL 2 3HG2 VAL 2 -2.810 1.356 6.958 19 HG22 VAL 2 1HG2 VAL 2 -3.288 0.965 5.311 20 HG23 VAL 2 2HG2 VAL 2 -2.362 -0.195 6.248 21 H THR 3 H THR 3 -1.955 -1.325 8.560 22 HA THR 3 HA THR 3 -1.183 0.570 10.621 23 HB THR 3 HB THR 3 -0.399 -2.103 9.754 24 HG1 THR 3 1HG THR 3 -1.267 -1.526 11.821 25 HG21 THR 3 3HG2 THR 3 1.614 -0.861 8.987 26 HG22 THR 3 1HG2 THR 3 1.950 -2.001 10.303 27 HG23 THR 3 2HG2 THR 3 1.832 -0.275 10.644 28 H GLN 4 H GLN 4 0.412 1.964 10.524 29 HA GLN 4 HA GLN 4 1.669 2.579 7.953 30 HB2 GLN 4 1HB GLN 4 2.498 4.577 9.323 31 HB3 GLN 4 2HB GLN 4 0.760 4.503 9.032 32 HG2 GLN 4 1HG GLN 4 0.291 3.827 11.211 33 HG3 GLN 4 2HG GLN 4 1.953 3.318 11.503 34 HE21 GLN 4 1HE2 GLN 4 3.522 4.818 11.970 35 HE22 GLN 4 2HE2 GLN 4 3.153 6.417 12.495 36 H PHE 5 H PHE 5 3.667 1.623 7.621 37 HA PHE 5 HA PHE 5 5.183 0.592 9.828 38 HB2 PHE 5 1HB PHE 5 5.946 1.033 6.945 39 HB3 PHE 5 2HB PHE 5 7.041 0.364 8.135 40 HD1 PHE 5 2HD PHE 5 5.150 -1.424 9.609 41 HD2 PHE 5 1HD PHE 5 5.690 -0.700 5.454 42 HE1 PHE 5 2HE PHE 5 4.327 -3.688 9.108 43 HE2 PHE 5 1HE PHE 5 4.879 -2.952 4.942 44 HZ PHE 5 HZ PHE 5 4.191 -4.456 6.773 45 H LYS 6 H LYS 6 6.757 1.573 10.970 46 HA LYS 6 HA LYS 6 7.002 4.427 10.574 47 HB2 LYS 6 1HB LYS 6 8.245 4.385 12.725 48 HB3 LYS 6 2HB LYS 6 6.619 3.714 12.824 49 HG2 LYS 6 1HG LYS 6 7.639 1.443 12.618 50 HG3 LYS 6 2HG LYS 6 9.224 2.203 12.734 51 HD2 LYS 6 1HD LYS 6 7.056 2.446 14.815 52 HD3 LYS 6 2HD LYS 6 8.390 1.296 14.893 53 HE2 LYS 6 1HE LYS 6 8.695 4.295 14.769 54 HE3 LYS 6 2HE LYS 6 8.769 3.336 16.244 55 HZ1 LYS 6 3HZ LYS 6 10.665 2.135 15.265 56 HZ2 LYS 6 1HZ LYS 6 10.974 3.785 15.479 57 HZ3 LYS 6 2HZ LYS 6 10.629 3.183 13.938 58 H THR 7 H THR 7 8.784 1.643 9.741 59 HA THR 7 HA THR 7 11.001 3.369 8.923 60 HB THR 7 HB THR 7 12.619 1.582 9.359 61 HG1 THR 7 1HG THR 7 11.637 -0.045 10.970 62 HG21 THR 7 3HG2 THR 7 12.694 1.775 11.787 63 HG22 THR 7 1HG2 THR 7 11.020 2.327 11.805 64 HG23 THR 7 2HG2 THR 7 12.267 3.319 11.054 65 H ALA 8 H ALA 8 12.042 2.858 7.022 66 HA ALA 8 HA ALA 8 10.684 1.507 4.972 67 HB1 ALA 8 1HB ALA 8 12.521 3.169 4.668 68 HB2 ALA 8 2HB ALA 8 12.741 1.694 3.726 69 HB3 ALA 8 3HB ALA 8 13.667 1.942 5.206 70 H SER 9 H SER 9 12.934 0.514 7.436 71 HA SER 9 HA SER 9 13.589 -2.059 6.511 72 HB2 SER 9 1HB SER 9 13.385 -1.118 9.380 73 HB3 SER 9 2HB SER 9 14.331 -2.481 8.783 74 HG SER 9 HG SER 9 14.793 0.045 7.666 75 H GLU 10 H GLU 10 10.895 -0.833 8.471 76 HA GLU 10 HA GLU 10 9.751 -3.340 9.112 77 HB2 GLU 10 1HB GLU 10 8.616 -0.576 8.793 78 HB3 GLU 10 2HB GLU 10 7.572 -1.943 9.152 79 HG2 GLU 10 1HG GLU 10 9.938 -1.184 10.838 80 HG3 GLU 10 2HG GLU 10 8.309 -0.577 11.118 81 H PHE 11 H PHE 11 9.176 -1.129 6.422 82 HA PHE 11 HA PHE 11 7.289 -2.657 5.034 83 HB2 PHE 11 1HB PHE 11 7.357 -0.543 4.221 84 HB3 PHE 11 2HB PHE 11 9.093 -0.381 4.445 85 HD1 PHE 11 2HD PHE 11 6.430 -1.405 2.171 86 HD2 PHE 11 1HD PHE 11 10.631 -1.037 2.694 87 HE1 PHE 11 2HE PHE 11 6.744 -1.681 -0.250 88 HE2 PHE 11 1HE PHE 11 10.958 -1.306 0.268 89 HZ PHE 11 HZ PHE 11 9.012 -1.632 -1.207 90 H ASP 12 H ASP 12 10.813 -2.526 4.714 91 HA ASP 12 HA ASP 12 11.200 -4.295 2.627 92 HB2 ASP 12 1HB ASP 12 13.065 -3.080 3.491 93 HB3 ASP 12 2HB ASP 12 12.862 -3.777 5.094 94 H SER 13 H SER 13 10.826 -5.025 6.062 95 HA SER 13 HA SER 13 11.379 -7.797 5.746 96 HB2 SER 13 1HB SER 13 10.021 -6.392 8.056 97 HB3 SER 13 2HB SER 13 10.789 -7.981 8.096 98 HG SER 13 HG SER 13 12.024 -5.447 7.716 99 H ALA 14 H ALA 14 8.440 -5.877 5.763 100 HA ALA 14 HA ALA 14 6.661 -8.086 5.976 101 HB1 ALA 14 1HB ALA 14 4.950 -6.505 5.125 102 HB2 ALA 14 2HB ALA 14 6.231 -5.317 4.872 103 HB3 ALA 14 3HB ALA 14 5.862 -5.881 6.503 104 H ILE 15 H ILE 15 7.861 -6.193 3.222 105 HA ILE 15 HA ILE 15 6.352 -7.612 1.296 106 HB ILE 15 HB ILE 15 7.720 -6.489 -0.375 107 HG12 ILE 15 1HG1 ILE 15 9.328 -5.287 1.869 108 HG13 ILE 15 2HG1 ILE 15 9.849 -6.750 1.046 109 HG21 ILE 15 1HG2 ILE 15 6.998 -4.706 1.951 110 HG22 ILE 15 2HG2 ILE 15 5.900 -5.260 0.688 111 HG23 ILE 15 3HG2 ILE 15 7.233 -4.178 0.285 112 HD11 ILE 15 3HD1 ILE 15 9.886 -5.533 -1.071 113 HD12 ILE 15 1HD1 ILE 15 10.941 -4.795 0.133 114 HD13 ILE 15 2HD1 ILE 15 9.376 -4.069 -0.229 115 H ALA 16 H ALA 16 9.287 -8.333 2.943 116 HA ALA 16 HA ALA 16 10.278 -10.154 0.937 117 HB1 ALA 16 1HB ALA 16 11.991 -10.709 2.532 118 HB2 ALA 16 2HB ALA 16 11.094 -9.915 3.824 119 HB3 ALA 16 3HB ALA 16 11.775 -8.957 2.506 120 H GLN 17 H GLN 17 7.813 -10.286 3.166 121 HA GLN 17 HA GLN 17 8.132 -13.033 3.956 122 HB2 GLN 17 1HB GLN 17 5.843 -11.090 4.288 123 HB3 GLN 17 2HB GLN 17 5.840 -12.725 4.933 124 HG2 GLN 17 1HG GLN 17 7.726 -12.222 6.338 125 HG3 GLN 17 2HG GLN 17 7.869 -10.618 5.624 126 HE21 GLN 17 1HE2 GLN 17 7.626 -9.591 7.584 127 HE22 GLN 17 2HE2 GLN 17 6.111 -9.507 8.413 128 H ASP 18 H ASP 18 6.755 -14.761 3.359 129 HA ASP 18 HA ASP 18 5.971 -14.652 0.589 130 HB2 ASP 18 1HB ASP 18 5.463 -17.035 0.873 131 HB3 ASP 18 2HB ASP 18 7.111 -16.640 1.329 132 H LYS 19 H LYS 19 4.407 -12.938 1.567 133 HA LYS 19 HA LYS 19 1.772 -14.130 1.452 134 HB2 LYS 19 1HB LYS 19 0.978 -13.485 3.495 135 HB3 LYS 19 2HB LYS 19 2.630 -13.876 3.919 136 HG2 LYS 19 1HG LYS 19 3.215 -11.697 4.280 137 HG3 LYS 19 2HG LYS 19 1.994 -11.070 3.168 138 HD2 LYS 19 1HD LYS 19 1.399 -12.343 5.839 139 HD3 LYS 19 2HD LYS 19 1.469 -10.603 5.547 140 HE2 LYS 19 1HE LYS 19 -0.396 -10.693 4.073 141 HE3 LYS 19 2HE LYS 19 -0.358 -12.453 4.021 142 HZ1 LYS 19 3HZ LYS 19 -1.120 -10.737 6.328 143 HZ2 LYS 19 1HZ LYS 19 -0.901 -12.415 6.433 144 HZ3 LYS 19 2HZ LYS 19 -2.118 -11.787 5.448 145 H LEU 20 H LEU 20 0.081 -12.382 1.381 146 HA LEU 20 HA LEU 20 0.844 -10.408 -0.543 147 HB2 LEU 20 1HB LEU 20 -1.406 -11.660 -0.284 148 HB3 LEU 20 2HB LEU 20 -1.756 -10.489 0.966 149 HG LEU 20 HG LEU 20 -2.812 -9.873 -1.133 150 HD11 LEU 20 1HD1 LEU 20 -0.582 -8.001 -0.390 151 HD12 LEU 20 2HD1 LEU 20 -2.195 -8.059 0.321 152 HD13 LEU 20 3HD1 LEU 20 -1.992 -7.580 -1.363 153 HD21 LEU 20 3HD2 LEU 20 -1.155 -10.944 -2.625 154 HD22 LEU 20 1HD2 LEU 20 -0.055 -9.604 -2.295 155 HD23 LEU 20 2HD2 LEU 20 -1.593 -9.305 -3.108 156 H VAL 21 H VAL 21 2.075 -8.740 0.168 157 HA VAL 21 HA VAL 21 1.010 -7.234 2.470 158 HB VAL 21 HB VAL 21 3.863 -7.307 1.439 159 HG11 VAL 21 1HG1 VAL 21 4.397 -5.738 3.206 160 HG12 VAL 21 2HG1 VAL 21 2.711 -5.712 3.730 161 HG13 VAL 21 3HG1 VAL 21 3.155 -5.043 2.154 162 HG21 VAL 21 3HG2 VAL 21 2.635 -8.203 4.051 163 HG22 VAL 21 1HG2 VAL 21 4.357 -8.216 3.668 164 HG23 VAL 21 2HG2 VAL 21 3.246 -9.252 2.772 165 H VAL 22 H VAL 22 -0.246 -5.661 1.676 166 HA VAL 22 HA VAL 22 0.739 -4.168 -0.626 167 HB VAL 22 HB VAL 22 -1.363 -4.609 -1.277 168 HG11 VAL 22 1HG1 VAL 22 -2.014 -5.985 0.538 169 HG12 VAL 22 2HG1 VAL 22 -3.313 -4.838 0.216 170 HG13 VAL 22 3HG1 VAL 22 -2.234 -4.585 1.589 171 HG21 VAL 22 3HG2 VAL 22 -1.859 -2.207 0.462 172 HG22 VAL 22 1HG2 VAL 22 -2.890 -2.744 -0.864 173 HG23 VAL 22 2HG2 VAL 22 -1.246 -2.196 -1.191 174 H VAL 23 H VAL 23 2.022 -2.627 -0.090 175 HA VAL 23 HA VAL 23 1.429 -0.921 2.225 176 HB VAL 23 HB VAL 23 3.933 -1.226 0.554 177 HG11 VAL 23 1HG1 VAL 23 5.000 0.248 2.179 178 HG12 VAL 23 2HG1 VAL 23 3.449 0.486 2.983 179 HG13 VAL 23 3HG1 VAL 23 3.688 1.073 1.337 180 HG21 VAL 23 3HG2 VAL 23 4.866 -2.300 2.471 181 HG22 VAL 23 1HG2 VAL 23 3.325 -3.076 2.127 182 HG23 VAL 23 2HG2 VAL 23 3.453 -1.914 3.446 183 H ALA 24 H ALA 24 0.868 1.205 1.991 184 HA ALA 24 HA ALA 24 0.845 2.332 -0.729 185 HB1 ALA 24 1HB ALA 24 -1.391 1.816 0.462 186 HB2 ALA 24 2HB ALA 24 -1.190 3.340 -0.393 187 HB3 ALA 24 3HB ALA 24 -1.049 3.299 1.368 188 H PHE 25 H PHE 25 2.468 3.614 -0.924 189 HA PHE 25 HA PHE 25 3.467 5.356 1.104 190 HB2 PHE 25 1HB PHE 25 3.767 5.424 -1.898 191 HB3 PHE 25 2HB PHE 25 4.754 6.338 -0.761 192 HD1 PHE 25 2HD PHE 25 3.988 3.000 -2.094 193 HD2 PHE 25 1HD PHE 25 6.544 5.290 0.422 194 HE1 PHE 25 2HE PHE 25 5.579 1.125 -2.015 195 HE2 PHE 25 1HE PHE 25 8.144 3.425 0.490 196 HZ PHE 25 HZ PHE 25 7.664 1.339 -0.722 197 H TYR 26 H TYR 26 2.136 6.957 1.888 198 HA TYR 26 HA TYR 26 1.221 8.999 0.097 199 HB2 TYR 26 1HB TYR 26 -1.033 8.627 0.021 200 HB3 TYR 26 2HB TYR 26 -0.461 6.963 0.108 201 HD1 TYR 26 1HD TYR 26 -1.701 9.704 2.282 202 HD2 TYR 26 2HD TYR 26 -1.250 5.548 1.648 203 HE1 TYR 26 1HE TYR 26 -3.183 9.262 4.215 204 HE2 TYR 26 2HE TYR 26 -2.691 5.075 3.556 205 HH TYR 26 HH TYR 26 -4.446 7.610 5.229 206 H ALA 27 H ALA 27 0.526 10.893 1.163 207 HA ALA 27 HA ALA 27 0.647 10.810 4.097 208 HB1 ALA 27 1HB ALA 27 2.722 11.793 3.412 209 HB2 ALA 27 2HB ALA 27 1.686 13.078 4.030 210 HB3 ALA 27 3HB ALA 27 1.897 12.875 2.290 211 H THR 28 H THR 28 -0.796 12.189 5.130 212 HA THR 28 HA THR 28 -3.264 12.298 3.766 213 HB THR 28 HB THR 28 -4.017 13.415 5.965 214 HG1 THR 28 1HG THR 28 -2.434 13.950 7.258 215 HG21 THR 28 3HG2 THR 28 -2.727 10.682 6.012 216 HG22 THR 28 1HG2 THR 28 -4.359 11.044 5.451 217 HG23 THR 28 2HG2 THR 28 -3.940 11.269 7.149 218 H TRP 29 H TRP 29 -0.829 14.521 3.587 219 HA TRP 29 HA TRP 29 -2.276 16.933 4.056 220 HB2 TRP 29 1HB TRP 29 -0.264 18.037 3.069 221 HB3 TRP 29 2HB TRP 29 0.089 16.958 4.409 222 HD1 TRP 29 HD TRP 29 -0.404 15.645 0.823 223 HE1 TRP 29 1HE TRP 29 1.825 14.658 0.000 224 HE3 TRP 29 3HE TRP 29 2.587 17.039 4.728 225 HZ2 TRP 29 2HZ TRP 29 4.495 14.496 0.888 226 HZ3 TRP 29 3HZ TRP 29 4.970 16.430 4.659 227 HH2 TRP 29 HH TRP 29 5.902 15.184 2.778 228 H CYS 30 H CYS 30 -2.914 14.868 1.675 229 HA CYS 30 HA CYS 30 -3.262 17.004 -0.320 230 HB2 CYS 30 1HB CYS 30 -2.789 15.508 -2.100 231 HB3 CYS 30 2HB CYS 30 -1.504 15.306 -0.920 232 H GLY 31 H GLY 31 -4.820 15.895 -2.158 233 HA2 GLY 31 1HA GLY 31 -7.352 15.559 -0.809 234 HA3 GLY 31 2HA GLY 31 -7.094 15.682 -2.542 235 HA PRO 32 HA PRO 32 -7.392 11.399 -3.406 236 HB2 PRO 32 1HB PRO 32 -4.452 10.944 -3.567 237 HB3 PRO 32 2HB PRO 32 -5.716 10.566 -4.743 238 HG2 PRO 32 1HG PRO 32 -4.099 12.631 -5.138 239 HG3 PRO 32 2HG PRO 32 -5.827 12.755 -5.521 240 HD2 PRO 32 1HD PRO 32 -4.322 13.830 -3.168 241 HD3 PRO 32 2HD PRO 32 -5.637 14.573 -4.095 242 H CYS 33 H CYS 33 -4.485 11.763 -1.414 243 HA CYS 33 HA CYS 33 -4.455 9.344 -0.083 244 HB2 CYS 33 1HB CYS 33 -3.408 10.756 1.802 245 HB3 CYS 33 2HB CYS 33 -2.611 10.754 0.230 246 H LYS 34 H LYS 34 -6.414 12.186 0.621 247 HA LYS 34 HA LYS 34 -7.345 11.249 3.120 248 HB2 LYS 34 1HB LYS 34 -7.454 13.619 2.419 249 HB3 LYS 34 2HB LYS 34 -8.674 13.192 1.229 250 HG2 LYS 34 1HG LYS 34 -10.237 12.605 2.920 251 HG3 LYS 34 2HG LYS 34 -9.008 12.719 4.178 252 HD2 LYS 34 1HD LYS 34 -10.263 14.692 4.373 253 HD3 LYS 34 2HD LYS 34 -8.794 15.171 3.531 254 HE2 LYS 34 1HE LYS 34 -11.337 14.479 2.085 255 HE3 LYS 34 2HE LYS 34 -10.992 16.105 2.662 256 HZ1 LYS 34 3HZ LYS 34 -10.351 15.945 0.390 257 HZ2 LYS 34 1HZ LYS 34 -9.435 14.554 0.670 258 HZ3 LYS 34 2HZ LYS 34 -8.938 16.036 1.310 259 H MET 35 H MET 35 -8.917 11.269 -0.109 260 HA MET 35 HA MET 35 -11.256 9.993 0.760 261 HB2 MET 35 1HB MET 35 -11.692 9.478 -1.607 262 HB3 MET 35 2HB MET 35 -11.258 11.156 -1.336 263 HG2 MET 35 1HG MET 35 -8.970 10.642 -2.092 264 HG3 MET 35 2HG MET 35 -9.487 8.990 -2.420 265 HE1 MET 35 3HE MET 35 -12.141 9.561 -5.276 266 HE2 MET 35 1HE MET 35 -12.490 9.576 -3.548 267 HE3 MET 35 2HE MET 35 -11.380 8.380 -4.212 268 H ILE 36 H ILE 36 -8.322 8.500 -0.648 269 HA ILE 36 HA ILE 36 -9.565 5.923 -0.581 270 HB ILE 36 HB ILE 36 -7.963 5.383 -2.000 271 HG12 ILE 36 1HG1 ILE 36 -6.953 4.633 0.317 272 HG13 ILE 36 2HG1 ILE 36 -6.061 4.420 -1.169 273 HG21 ILE 36 1HG2 ILE 36 -7.629 7.747 -2.449 274 HG22 ILE 36 2HG2 ILE 36 -6.134 6.829 -2.627 275 HG23 ILE 36 3HG2 ILE 36 -6.399 7.815 -1.188 276 HD11 ILE 36 3HD1 ILE 36 -5.695 6.658 0.812 277 HD12 ILE 36 1HD1 ILE 36 -4.762 6.438 -0.667 278 HD13 ILE 36 2HD1 ILE 36 -4.649 5.249 0.632 279 H ALA 37 H ALA 37 -7.894 7.849 1.710 280 HA ALA 37 HA ALA 37 -6.698 5.903 3.272 281 HB1 ALA 37 1HB ALA 37 -7.948 8.447 4.284 282 HB2 ALA 37 2HB ALA 37 -6.350 8.324 3.532 283 HB3 ALA 37 3HB ALA 37 -6.678 7.500 5.064 284 HA PRO 38 HA PRO 38 -10.847 5.175 5.681 285 HB2 PRO 38 1HB PRO 38 -13.108 6.064 4.390 286 HB3 PRO 38 2HB PRO 38 -12.341 6.892 5.747 287 HG2 PRO 38 1HG PRO 38 -12.091 7.424 2.819 288 HG3 PRO 38 2HG PRO 38 -12.240 8.575 4.160 289 HD2 PRO 38 1HD PRO 38 -9.878 8.084 3.014 290 HD3 PRO 38 2HD PRO 38 -10.014 8.354 4.762 291 H MET 39 H MET 39 -10.925 5.415 2.106 292 HA MET 39 HA MET 39 -12.645 3.208 1.737 293 HB2 MET 39 1HB MET 39 -10.533 4.320 -0.109 294 HB3 MET 39 2HB MET 39 -11.695 3.086 -0.575 295 HG2 MET 39 1HG MET 39 -12.302 5.906 0.275 296 HG3 MET 39 2HG MET 39 -12.442 5.232 -1.347 297 HE1 MET 39 3HE MET 39 -15.424 2.720 -0.926 298 HE2 MET 39 1HE MET 39 -13.716 2.337 -0.703 299 HE3 MET 39 2HE MET 39 -14.219 3.387 -2.028 300 H ILE 40 H ILE 40 -9.050 3.248 1.401 301 HA ILE 40 HA ILE 40 -8.851 0.451 1.275 302 HB ILE 40 HB ILE 40 -6.920 2.676 1.825 303 HG12 ILE 40 1HG1 ILE 40 -6.969 0.425 -0.191 304 HG13 ILE 40 2HG1 ILE 40 -7.792 1.960 -0.430 305 HG21 ILE 40 1HG2 ILE 40 -6.069 1.075 3.363 306 HG22 ILE 40 2HG2 ILE 40 -5.088 0.967 1.899 307 HG23 ILE 40 3HG2 ILE 40 -6.323 -0.250 2.224 308 HD11 ILE 40 3HD1 ILE 40 -5.468 2.979 -0.018 309 HD12 ILE 40 1HD1 ILE 40 -5.847 2.246 -1.579 310 HD13 ILE 40 2HD1 ILE 40 -4.884 1.357 -0.391 311 H GLU 41 H GLU 41 -9.283 2.554 4.006 312 HA GLU 41 HA GLU 41 -8.588 0.665 6.004 313 HB2 GLU 41 1HB GLU 41 -8.908 3.097 6.419 314 HB3 GLU 41 2HB GLU 41 -10.635 2.878 6.167 315 HG2 GLU 41 1HG GLU 41 -10.818 1.492 8.090 316 HG3 GLU 41 2HG GLU 41 -9.067 1.431 8.282 317 H LYS 42 H LYS 42 -11.663 1.434 4.361 318 HA LYS 42 HA LYS 42 -13.205 -0.475 5.737 319 HB2 LYS 42 1HB LYS 42 -14.373 1.178 4.497 320 HB3 LYS 42 2HB LYS 42 -13.489 0.807 3.025 321 HG2 LYS 42 1HG LYS 42 -15.847 0.030 3.024 322 HG3 LYS 42 2HG LYS 42 -14.668 -1.251 2.747 323 HD2 LYS 42 1HD LYS 42 -16.351 -2.056 4.262 324 HD3 LYS 42 2HD LYS 42 -14.835 -1.861 5.140 325 HE2 LYS 42 1HE LYS 42 -16.615 -1.022 6.509 326 HE3 LYS 42 2HE LYS 42 -15.658 0.345 5.945 327 HZ1 LYS 42 3HZ LYS 42 -18.267 -0.546 4.844 328 HZ2 LYS 42 1HZ LYS 42 -17.338 0.721 4.216 329 HZ3 LYS 42 2HZ LYS 42 -17.990 0.839 5.772 330 H PHE 43 H PHE 43 -11.355 -0.697 2.755 331 HA PHE 43 HA PHE 43 -12.090 -3.347 2.186 332 HB2 PHE 43 1HB PHE 43 -9.695 -1.767 1.253 333 HB3 PHE 43 2HB PHE 43 -10.202 -3.318 0.600 334 HD1 PHE 43 2HD PHE 43 -13.181 -1.831 1.342 335 HD2 PHE 43 1HD PHE 43 -9.934 -1.417 -1.377 336 HE1 PHE 43 2HE PHE 43 -14.662 -0.673 -0.242 337 HE2 PHE 43 1HE PHE 43 -11.410 -0.248 -2.958 338 HZ PHE 43 HZ PHE 43 -13.776 0.122 -2.396 339 H SER 44 H SER 44 -9.994 -2.036 4.480 340 HA SER 44 HA SER 44 -8.362 -4.415 4.755 341 HB2 SER 44 1HB SER 44 -7.043 -3.207 6.282 342 HB3 SER 44 2HB SER 44 -7.579 -1.968 5.144 343 HG SER 44 HG SER 44 -9.258 -1.463 6.674 344 H GLU 45 H GLU 45 -11.294 -3.115 5.824 345 HA GLU 45 HA GLU 45 -11.520 -4.963 8.046 346 HB2 GLU 45 1HB GLU 45 -12.661 -2.664 7.892 347 HB3 GLU 45 2HB GLU 45 -13.781 -3.428 6.773 348 HG2 GLU 45 1HG GLU 45 -14.639 -3.344 9.069 349 HG3 GLU 45 2HG GLU 45 -14.475 -4.994 8.467 350 H GLN 46 H GLN 46 -11.870 -4.968 4.672 351 HA GLN 46 HA GLN 46 -13.174 -7.596 4.840 352 HB2 GLN 46 1HB GLN 46 -13.940 -6.878 2.385 353 HB3 GLN 46 2HB GLN 46 -14.906 -6.569 3.819 354 HG2 GLN 46 1HG GLN 46 -14.589 -4.345 3.712 355 HG3 GLN 46 2HG GLN 46 -12.946 -4.481 3.083 356 HE21 GLN 46 1HE2 GLN 46 -15.290 -2.865 2.227 357 HE22 GLN 46 2HE2 GLN 46 -15.502 -3.231 0.551 358 H TYR 47 H TYR 47 -10.278 -7.036 4.651 359 HA TYR 47 HA TYR 47 -9.873 -8.511 2.129 360 HB2 TYR 47 1HB TYR 47 -7.604 -7.739 2.007 361 HB3 TYR 47 2HB TYR 47 -8.673 -6.362 2.218 362 HD1 TYR 47 1HD TYR 47 -8.808 -7.413 5.362 363 HD2 TYR 47 2HD TYR 47 -5.817 -6.012 2.686 364 HE1 TYR 47 1HE TYR 47 -7.433 -6.669 7.260 365 HE2 TYR 47 2HE TYR 47 -4.513 -5.296 4.500 366 HH TYR 47 HH TYR 47 -5.161 -6.137 7.771 367 HA PRO 48 HA PRO 48 -9.362 -11.608 5.581 368 HB2 PRO 48 1HB PRO 48 -10.053 -13.392 3.302 369 HB3 PRO 48 2HB PRO 48 -10.664 -13.391 4.959 370 HG2 PRO 48 1HG PRO 48 -12.166 -12.459 2.976 371 HG3 PRO 48 2HG PRO 48 -12.145 -11.646 4.553 372 HD2 PRO 48 1HD PRO 48 -10.789 -10.872 2.000 373 HD3 PRO 48 2HD PRO 48 -11.585 -9.845 3.210 374 H GLN 49 H GLN 49 -8.102 -11.732 2.261 375 HA GLN 49 HA GLN 49 -5.962 -13.514 3.177 376 HB2 GLN 49 1HB GLN 49 -7.378 -14.440 1.449 377 HB3 GLN 49 2HB GLN 49 -7.111 -13.045 0.425 378 HG2 GLN 49 1HG GLN 49 -5.874 -15.085 -0.247 379 HG3 GLN 49 2HG GLN 49 -4.867 -13.667 0.022 380 HE21 GLN 49 1HE2 GLN 49 -3.414 -13.649 1.664 381 HE22 GLN 49 2HE2 GLN 49 -2.997 -15.053 2.581 382 H ALA 50 H ALA 50 -6.028 -10.514 3.443 383 HA ALA 50 HA ALA 50 -3.482 -10.022 2.086 384 HB1 ALA 50 1HB ALA 50 -4.144 -7.884 1.280 385 HB2 ALA 50 2HB ALA 50 -5.698 -7.996 2.100 386 HB3 ALA 50 3HB ALA 50 -5.347 -9.053 0.736 387 H ASP 51 H ASP 51 -2.351 -8.144 2.926 388 HA ASP 51 HA ASP 51 -3.221 -7.258 5.581 389 HB2 ASP 51 1HB ASP 51 -0.867 -8.778 4.991 390 HB3 ASP 51 2HB ASP 51 -0.362 -7.159 5.471 391 H PHE 52 H PHE 52 -3.507 -5.163 5.602 392 HA PHE 52 HA PHE 52 -2.493 -3.577 3.392 393 HB2 PHE 52 1HB PHE 52 -4.782 -3.383 5.213 394 HB3 PHE 52 2HB PHE 52 -3.982 -1.849 4.909 395 HD1 PHE 52 1HD PHE 52 -3.213 -2.096 2.083 396 HD2 PHE 52 2HD PHE 52 -6.748 -3.277 4.106 397 HE1 PHE 52 1HE PHE 52 -4.504 -1.799 0.004 398 HE2 PHE 52 2HE PHE 52 -8.044 -2.981 2.068 399 HZ PHE 52 HZ PHE 52 -6.929 -2.246 -0.011 400 H TYR 53 H TYR 53 -0.800 -2.220 3.655 401 HA TYR 53 HA TYR 53 -0.557 -0.873 6.250 402 HB2 TYR 53 1HB TYR 53 1.849 -1.752 4.639 403 HB3 TYR 53 2HB TYR 53 1.834 -1.046 6.261 404 HD1 TYR 53 2HD TYR 53 0.756 -2.408 8.132 405 HD2 TYR 53 1HD TYR 53 1.823 -4.085 4.380 406 HE1 TYR 53 2HE TYR 53 0.737 -4.646 9.141 407 HE2 TYR 53 1HE TYR 53 1.804 -6.336 5.377 408 HH TYR 53 HH TYR 53 0.365 -7.066 8.218 409 H LYS 54 H LYS 54 -0.302 1.322 6.006 410 HA LYS 54 HA LYS 54 0.416 2.214 3.291 411 HB2 LYS 54 1HB LYS 54 -1.610 3.594 5.054 412 HB3 LYS 54 2HB LYS 54 -1.094 4.129 3.444 413 HG2 LYS 54 1HG LYS 54 -2.120 2.249 2.407 414 HG3 LYS 54 2HG LYS 54 -2.400 1.453 3.937 415 HD2 LYS 54 1HD LYS 54 -3.824 3.872 2.810 416 HD3 LYS 54 2HD LYS 54 -4.489 2.299 3.202 417 HE2 LYS 54 1HE LYS 54 -4.265 2.652 5.531 418 HE3 LYS 54 2HE LYS 54 -3.320 4.118 5.294 419 HZ1 LYS 54 3HZ LYS 54 -6.160 3.810 4.490 420 HZ2 LYS 54 1HZ LYS 54 -5.240 5.230 4.455 421 HZ3 LYS 54 2HZ LYS 54 -5.648 4.523 5.936 422 H LEU 55 H LEU 55 2.155 3.424 3.188 423 HA LEU 55 HA LEU 55 3.418 4.260 5.691 424 HB2 LEU 55 1HB LEU 55 4.438 4.610 2.869 425 HB3 LEU 55 2HB LEU 55 5.356 4.804 4.340 426 HG LEU 55 HG LEU 55 4.280 2.226 3.232 427 HD11 LEU 55 1HD1 LEU 55 6.646 1.640 3.053 428 HD12 LEU 55 2HD1 LEU 55 7.088 3.243 3.637 429 HD13 LEU 55 3HD1 LEU 55 6.261 3.065 2.091 430 HD21 LEU 55 3HD2 LEU 55 4.116 2.222 5.644 431 HD22 LEU 55 1HD2 LEU 55 5.787 2.775 5.772 432 HD23 LEU 55 2HD2 LEU 55 5.430 1.177 5.107 433 H ASP 56 H ASP 56 3.123 6.287 6.493 434 HA ASP 56 HA ASP 56 2.220 8.399 4.825 435 HB2 ASP 56 1HB ASP 56 2.739 9.886 6.714 436 HB3 ASP 56 2HB ASP 56 1.765 8.517 7.209 437 H VAL 57 H VAL 57 3.384 9.006 3.195 438 HA VAL 57 HA VAL 57 6.080 8.499 2.779 439 HB VAL 57 HB VAL 57 4.045 9.269 1.229 440 HG11 VAL 57 1HG1 VAL 57 4.276 11.485 0.361 441 HG12 VAL 57 2HG1 VAL 57 5.690 11.788 1.367 442 HG13 VAL 57 3HG1 VAL 57 4.105 11.598 2.114 443 HG21 VAL 57 3HG2 VAL 57 5.687 9.613 -0.576 444 HG22 VAL 57 1HG2 VAL 57 6.008 8.197 0.427 445 HG23 VAL 57 2HG2 VAL 57 6.961 9.666 0.643 446 H ASP 58 H ASP 58 4.646 10.843 4.709 447 HA ASP 58 HA ASP 58 6.470 12.978 4.529 448 HB2 ASP 58 1HB ASP 58 4.280 13.251 5.498 449 HB3 ASP 58 2HB ASP 58 4.632 12.058 6.741 450 H GLU 59 H GLU 59 6.294 10.165 6.733 451 HA GLU 59 HA GLU 59 9.036 10.768 7.583 452 HB2 GLU 59 1HB GLU 59 6.988 8.849 8.687 453 HB3 GLU 59 2HB GLU 59 8.657 8.899 9.236 454 HG2 GLU 59 1HG GLU 59 8.283 11.321 9.798 455 HG3 GLU 59 2HG GLU 59 6.568 11.040 9.487 456 H LEU 60 H LEU 60 7.263 8.686 5.513 457 HA LEU 60 HA LEU 60 9.609 6.936 5.236 458 HB2 LEU 60 1HB LEU 60 6.714 6.510 4.498 459 HB3 LEU 60 2HB LEU 60 7.996 5.526 3.814 460 HG LEU 60 HG LEU 60 7.011 4.341 5.649 461 HD11 LEU 60 1HD1 LEU 60 9.654 5.464 6.556 462 HD12 LEU 60 2HD1 LEU 60 9.451 4.153 5.394 463 HD13 LEU 60 3HD1 LEU 60 8.927 3.942 7.065 464 HD21 LEU 60 3HD2 LEU 60 6.007 6.201 6.839 465 HD22 LEU 60 1HD2 LEU 60 7.603 6.767 7.333 466 HD23 LEU 60 2HD2 LEU 60 6.990 5.227 7.933 467 H GLY 61 H GLY 61 10.136 9.287 4.221 468 HA2 GLY 61 1HA GLY 61 9.274 9.577 1.490 469 HA3 GLY 61 2HA GLY 61 10.478 10.555 2.314 470 H ASP 62 H ASP 62 12.199 8.465 3.125 471 HA ASP 62 HA ASP 62 13.766 8.301 0.767 472 HB2 ASP 62 1HB ASP 62 14.137 6.874 3.407 473 HB3 ASP 62 2HB ASP 62 15.340 6.979 2.130 474 H VAL 63 H VAL 63 11.853 5.916 2.567 475 HA VAL 63 HA VAL 63 12.497 3.730 0.887 476 HB VAL 63 HB VAL 63 11.495 3.310 3.065 477 HG11 VAL 63 1HG1 VAL 63 8.997 4.574 2.011 478 HG12 VAL 63 2HG1 VAL 63 10.067 5.254 3.238 479 HG13 VAL 63 3HG1 VAL 63 9.197 3.751 3.560 480 HG21 VAL 63 3HG2 VAL 63 9.777 2.458 0.764 481 HG22 VAL 63 1HG2 VAL 63 9.673 1.770 2.384 482 HG23 VAL 63 2HG2 VAL 63 11.157 1.592 1.443 483 H ALA 64 H ALA 64 9.918 6.137 0.790 484 HA ALA 64 HA ALA 64 8.530 5.217 -1.425 485 HB1 ALA 64 1HB ALA 64 7.823 7.522 -1.760 486 HB2 ALA 64 2HB ALA 64 9.121 8.084 -0.707 487 HB3 ALA 64 3HB ALA 64 7.810 7.107 -0.046 488 H GLN 65 H GLN 65 11.393 7.320 -1.307 489 HA GLN 65 HA GLN 65 11.530 7.647 -4.123 490 HB2 GLN 65 1HB GLN 65 13.630 8.107 -2.001 491 HB3 GLN 65 2HB GLN 65 13.724 8.673 -3.668 492 HG2 GLN 65 1HG GLN 65 11.732 9.497 -1.574 493 HG3 GLN 65 2HG GLN 65 13.017 10.478 -2.271 494 HE21 GLN 65 1HE2 GLN 65 10.105 10.875 -2.183 495 HE22 GLN 65 2HE2 GLN 65 9.608 11.068 -3.828 496 H LYS 66 H LYS 66 12.816 5.259 -1.928 497 HA LYS 66 HA LYS 66 14.735 4.230 -3.728 498 HB2 LYS 66 1HB LYS 66 15.290 2.805 -2.030 499 HB3 LYS 66 2HB LYS 66 14.465 4.054 -1.130 500 HG2 LYS 66 1HG LYS 66 12.727 2.766 -0.601 501 HG3 LYS 66 2HG LYS 66 12.814 1.849 -2.082 502 HD2 LYS 66 1HD LYS 66 13.387 0.361 -0.317 503 HD3 LYS 66 2HD LYS 66 14.882 0.744 -1.164 504 HE2 LYS 66 1HE LYS 66 13.997 2.201 1.316 505 HE3 LYS 66 2HE LYS 66 14.966 0.734 1.376 506 HZ1 LYS 66 3HZ LYS 66 15.744 3.276 0.048 507 HZ2 LYS 66 1HZ LYS 66 16.673 1.863 0.078 508 HZ3 LYS 66 2HZ LYS 66 16.349 2.696 1.515 509 H ASN 67 H ASN 67 11.370 3.774 -3.193 510 HA ASN 67 HA ASN 67 11.304 1.480 -5.019 511 HB2 ASN 67 1HB ASN 67 9.223 2.668 -3.186 512 HB3 ASN 67 2HB ASN 67 8.848 1.425 -4.372 513 HD21 ASN 67 1HD2 ASN 67 10.519 2.161 -1.423 514 HD22 ASN 67 2HD2 ASN 67 10.840 0.528 -0.959 515 H GLU 68 H GLU 68 11.573 4.558 -5.506 516 HA GLU 68 HA GLU 68 11.152 5.966 -7.232 517 HB2 GLU 68 1HB GLU 68 9.945 3.541 -8.569 518 HB3 GLU 68 2HB GLU 68 10.445 5.024 -9.366 519 HG2 GLU 68 1HG GLU 68 12.759 4.589 -8.746 520 HG3 GLU 68 2HG GLU 68 12.263 3.110 -7.923 521 H VAL 69 H VAL 69 9.314 6.001 -5.172 522 HA VAL 69 HA VAL 69 6.674 6.175 -6.391 523 HB VAL 69 HB VAL 69 7.595 6.624 -3.549 524 HG11 VAL 69 1HG1 VAL 69 4.788 6.593 -4.653 525 HG12 VAL 69 2HG1 VAL 69 5.648 8.012 -4.056 526 HG13 VAL 69 3HG1 VAL 69 5.230 6.704 -2.949 527 HG21 VAL 69 3HG2 VAL 69 7.714 4.303 -4.250 528 HG22 VAL 69 1HG2 VAL 69 6.047 4.370 -4.821 529 HG23 VAL 69 2HG2 VAL 69 6.395 4.529 -3.099 530 H SER 70 H SER 70 5.907 7.994 -7.220 531 HA SER 70 HA SER 70 6.807 10.558 -6.124 532 HB2 SER 70 1HB SER 70 6.836 11.427 -8.531 533 HB3 SER 70 2HB SER 70 8.181 10.398 -8.042 534 HG SER 70 HG SER 70 6.459 8.715 -8.937 535 H ALA 71 H ALA 71 4.338 8.764 -6.169 536 HA ALA 71 HA ALA 71 2.447 10.928 -6.718 537 HB1 ALA 71 1HB ALA 71 0.877 9.384 -7.782 538 HB2 ALA 71 2HB ALA 71 2.057 8.080 -7.648 539 HB3 ALA 71 3HB ALA 71 2.389 9.465 -8.687 540 H MET 72 H MET 72 0.632 10.916 -5.347 541 HA MET 72 HA MET 72 0.714 8.853 -3.258 542 HB2 MET 72 1HB MET 72 0.090 10.462 -1.586 543 HB3 MET 72 2HB MET 72 1.502 11.069 -2.435 544 HG2 MET 72 1HG MET 72 -1.325 11.935 -2.991 545 HG3 MET 72 2HG MET 72 -0.205 12.789 -1.933 546 HE1 MET 72 3HE MET 72 -0.610 14.986 -5.225 547 HE2 MET 72 1HE MET 72 -0.851 14.961 -3.478 548 HE3 MET 72 2HE MET 72 -1.833 13.928 -4.517 549 HA PRO 73 HA PRO 73 -0.185 7.624 -2.223 550 HB2 PRO 73 1HB PRO 73 -1.653 5.424 -2.080 551 HB3 PRO 73 2HB PRO 73 -2.151 6.880 -1.207 552 HG2 PRO 73 1HG PRO 73 -3.156 5.806 -3.818 553 HG3 PRO 73 2HG PRO 73 -4.078 6.456 -2.453 554 HD2 PRO 73 1HD PRO 73 -3.402 7.897 -4.704 555 HD3 PRO 73 2HD PRO 73 -3.773 8.618 -3.127 556 H THR 74 H THR 74 0.950 5.563 -2.608 557 HA THR 74 HA THR 74 0.640 4.501 -5.320 558 HB THR 74 HB THR 74 3.217 4.695 -3.742 559 HG1 THR 74 1HG THR 74 2.390 6.624 -4.904 560 HG21 THR 74 3HG2 THR 74 3.161 2.618 -4.990 561 HG22 THR 74 1HG2 THR 74 4.266 3.746 -5.772 562 HG23 THR 74 2HG2 THR 74 2.660 3.473 -6.448 563 H LEU 75 H LEU 75 -0.166 2.525 -5.262 564 HA LEU 75 HA LEU 75 -0.053 1.038 -2.732 565 HB2 LEU 75 1HB LEU 75 -2.064 1.371 -4.878 566 HB3 LEU 75 2HB LEU 75 -1.956 -0.202 -4.122 567 HG LEU 75 HG LEU 75 -3.699 1.171 -3.088 568 HD11 LEU 75 1HD1 LEU 75 -2.982 0.957 -0.753 569 HD12 LEU 75 2HD1 LEU 75 -1.327 0.692 -1.296 570 HD13 LEU 75 3HD1 LEU 75 -2.587 -0.471 -1.708 571 HD21 LEU 75 3HD2 LEU 75 -2.797 3.373 -3.495 572 HD22 LEU 75 1HD2 LEU 75 -1.444 3.051 -2.411 573 HD23 LEU 75 2HD2 LEU 75 -3.084 3.154 -1.770 574 H LEU 76 H LEU 76 1.502 -0.448 -2.799 575 HA LEU 76 HA LEU 76 1.652 -2.138 -5.208 576 HB2 LEU 76 1HB LEU 76 4.035 -1.483 -3.476 577 HB3 LEU 76 2HB LEU 76 4.029 -2.242 -5.053 578 HG LEU 76 HG LEU 76 3.303 0.643 -4.551 579 HD11 LEU 76 1HD1 LEU 76 5.863 -0.553 -5.601 580 HD12 LEU 76 2HD1 LEU 76 5.650 0.233 -4.038 581 HD13 LEU 76 3HD1 LEU 76 5.482 1.167 -5.524 582 HD21 LEU 76 3HD2 LEU 76 3.806 -0.894 -7.093 583 HD22 LEU 76 1HD2 LEU 76 3.552 0.849 -6.984 584 HD23 LEU 76 2HD2 LEU 76 2.256 -0.260 -6.540 585 H LEU 77 H LEU 77 0.896 -4.063 -4.646 586 HA LEU 77 HA LEU 77 1.503 -5.034 -1.967 587 HB2 LEU 77 1HB LEU 77 0.148 -7.036 -3.350 588 HB3 LEU 77 2HB LEU 77 -0.475 -5.991 -2.099 589 HG LEU 77 HG LEU 77 -0.551 -5.287 -5.032 590 HD11 LEU 77 1HD1 LEU 77 -1.801 -7.325 -4.645 591 HD12 LEU 77 2HD1 LEU 77 -2.930 -5.987 -4.857 592 HD13 LEU 77 3HD1 LEU 77 -2.592 -6.608 -3.239 593 HD21 LEU 77 3HD2 LEU 77 -2.287 -4.228 -2.812 594 HD22 LEU 77 1HD2 LEU 77 -2.081 -3.594 -4.443 595 HD23 LEU 77 2HD2 LEU 77 -0.770 -3.451 -3.268 596 H PHE 78 H PHE 78 2.904 -6.508 -1.507 597 HA PHE 78 HA PHE 78 4.529 -7.502 -3.727 598 HB2 PHE 78 1HB PHE 78 5.229 -6.762 -0.891 599 HB3 PHE 78 2HB PHE 78 6.337 -7.632 -1.938 600 HD1 PHE 78 2HD PHE 78 4.669 -4.441 -1.300 601 HD2 PHE 78 1HD PHE 78 7.442 -6.515 -3.771 602 HE1 PHE 78 2HE PHE 78 5.462 -2.296 -2.203 603 HE2 PHE 78 1HE PHE 78 8.237 -4.371 -4.678 604 HZ PHE 78 HZ PHE 78 7.248 -2.259 -3.895 605 H LYS 79 H LYS 79 5.478 -9.594 -3.544 606 HA LYS 79 HA LYS 79 4.472 -11.315 -1.410 607 HB2 LYS 79 1HB LYS 79 2.933 -11.728 -3.185 608 HB3 LYS 79 2HB LYS 79 4.218 -11.800 -4.380 609 HG2 LYS 79 1HG LYS 79 5.030 -13.867 -3.306 610 HG3 LYS 79 2HG LYS 79 3.684 -13.784 -2.170 611 HD2 LYS 79 1HD LYS 79 3.381 -13.962 -5.165 612 HD3 LYS 79 2HD LYS 79 3.315 -15.344 -4.074 613 HE2 LYS 79 1HE LYS 79 1.414 -14.281 -2.904 614 HE3 LYS 79 2HE LYS 79 1.456 -12.972 -4.084 615 HZ1 LYS 79 3HZ LYS 79 0.969 -15.834 -4.701 616 HZ2 LYS 79 1HZ LYS 79 0.999 -14.575 -5.831 617 HZ3 LYS 79 2HZ LYS 79 -0.211 -14.626 -4.649 618 H ASN 80 H ASN 80 6.200 -12.127 -0.479 619 HA ASN 80 HA ASN 80 8.381 -12.645 -0.063 620 HB2 ASN 80 1HB ASN 80 9.080 -14.446 -2.052 621 HB3 ASN 80 2HB ASN 80 8.285 -14.829 -0.532 622 HD21 ASN 80 1HD2 ASN 80 7.832 -14.297 -3.951 623 HD22 ASN 80 2HD2 ASN 80 6.247 -14.980 -4.047 624 H GLY 81 H GLY 81 8.370 -10.249 -1.350 625 HA2 GLY 81 1HA GLY 81 9.891 -8.795 -2.262 626 HA3 GLY 81 2HA GLY 81 11.050 -10.112 -2.257 627 H LYS 82 H LYS 82 8.265 -10.960 -3.974 628 HA LYS 82 HA LYS 82 9.656 -10.391 -6.503 629 HB2 LYS 82 1HB LYS 82 7.882 -12.685 -5.667 630 HB3 LYS 82 2HB LYS 82 8.352 -12.391 -7.327 631 HG2 LYS 82 1HG LYS 82 10.689 -12.701 -6.758 632 HG3 LYS 82 2HG LYS 82 10.258 -12.912 -5.060 633 HD2 LYS 82 1HD LYS 82 9.002 -14.919 -5.601 634 HD3 LYS 82 2HD LYS 82 9.335 -14.688 -7.319 635 HE2 LYS 82 1HE LYS 82 11.717 -14.977 -6.912 636 HE3 LYS 82 2HE LYS 82 11.418 -15.146 -5.184 637 HZ1 LYS 82 3HZ LYS 82 10.318 -16.977 -7.244 638 HZ2 LYS 82 1HZ LYS 82 10.249 -17.175 -5.568 639 HZ3 LYS 82 2HZ LYS 82 11.732 -17.280 -6.368 640 H GLU 83 H GLU 83 7.383 -9.159 -4.725 641 HA GLU 83 HA GLU 83 5.594 -7.840 -5.032 642 HB2 GLU 83 1HB GLU 83 6.349 -8.069 -7.940 643 HB3 GLU 83 2HB GLU 83 5.122 -6.972 -7.321 644 HG2 GLU 83 1HG GLU 83 6.827 -5.867 -5.946 645 HG3 GLU 83 2HG GLU 83 8.049 -6.941 -6.625 646 H VAL 84 H VAL 84 3.416 -7.702 -6.265 647 HA VAL 84 HA VAL 84 2.590 -10.196 -7.465 648 HB VAL 84 HB VAL 84 2.079 -10.185 -4.920 649 HG11 VAL 84 1HG1 VAL 84 1.058 -8.067 -4.655 650 HG12 VAL 84 2HG1 VAL 84 -0.206 -9.285 -4.432 651 HG13 VAL 84 3HG1 VAL 84 -0.095 -8.390 -5.948 652 HG21 VAL 84 3HG2 VAL 84 1.316 -11.901 -6.417 653 HG22 VAL 84 1HG2 VAL 84 -0.007 -10.872 -6.969 654 HG23 VAL 84 2HG2 VAL 84 0.017 -11.461 -5.305 655 H ALA 85 H ALA 85 2.000 -6.843 -6.660 656 HA ALA 85 HA ALA 85 0.913 -6.370 -9.295 657 HB1 ALA 85 1HB ALA 85 -0.821 -5.678 -6.937 658 HB2 ALA 85 2HB ALA 85 -1.096 -7.070 -7.985 659 HB3 ALA 85 3HB ALA 85 -1.190 -5.433 -8.644 660 H LYS 86 H LYS 86 0.539 -4.067 -9.685 661 HA LYS 86 HA LYS 86 1.671 -2.278 -7.714 662 HB2 LYS 86 1HB LYS 86 3.680 -2.663 -8.813 663 HB3 LYS 86 2HB LYS 86 2.903 -2.887 -10.369 664 HG2 LYS 86 1HG LYS 86 2.608 -0.544 -10.651 665 HG3 LYS 86 2HG LYS 86 3.103 -0.223 -8.989 666 HD2 LYS 86 1HD LYS 86 5.348 -0.824 -9.446 667 HD3 LYS 86 2HD LYS 86 4.916 -1.537 -11.000 668 HE2 LYS 86 1HE LYS 86 4.623 1.397 -10.342 669 HE3 LYS 86 2HE LYS 86 6.030 0.697 -11.150 670 HZ1 LYS 86 3HZ LYS 86 4.595 -0.054 -12.940 671 HZ2 LYS 86 1HZ LYS 86 4.452 1.618 -12.737 672 HZ3 LYS 86 2HZ LYS 86 3.239 0.590 -12.166 673 H VAL 87 H VAL 87 0.318 -0.646 -7.496 674 HA VAL 87 HA VAL 87 -0.831 0.564 -9.930 675 HB VAL 87 HB VAL 87 -2.204 0.664 -7.239 676 HG11 VAL 87 1HG1 VAL 87 -3.125 1.242 -10.052 677 HG12 VAL 87 2HG1 VAL 87 -2.799 2.421 -8.778 678 HG13 VAL 87 3HG1 VAL 87 -4.153 1.298 -8.619 679 HG21 VAL 87 3HG2 VAL 87 -2.925 -1.230 -9.476 680 HG22 VAL 87 1HG2 VAL 87 -3.731 -1.070 -7.911 681 HG23 VAL 87 2HG2 VAL 87 -2.081 -1.701 -8.001 682 H VAL 88 H VAL 88 -0.521 2.743 -10.103 683 HA VAL 88 HA VAL 88 0.922 3.995 -7.859 684 HB VAL 88 HB VAL 88 1.634 4.551 -10.720 685 HG11 VAL 88 1HG1 VAL 88 3.845 5.040 -9.656 686 HG12 VAL 88 2HG1 VAL 88 3.064 4.818 -8.088 687 HG13 VAL 88 3HG1 VAL 88 2.529 6.110 -9.164 688 HG21 VAL 88 3HG2 VAL 88 1.742 2.075 -10.218 689 HG22 VAL 88 1HG2 VAL 88 3.006 2.463 -9.049 690 HG23 VAL 88 2HG2 VAL 88 3.248 2.829 -10.759 691 H GLY 89 H GLY 89 -1.182 4.936 -7.386 692 HA2 GLY 89 1HA GLY 89 -1.381 7.589 -7.970 693 HA3 GLY 89 2HA GLY 89 -2.345 6.813 -9.222 694 H ALA 90 H ALA 90 -4.004 8.199 -8.071 695 HA ALA 90 HA ALA 90 -4.983 7.369 -5.533 696 HB1 ALA 90 1HB ALA 90 -6.912 8.749 -6.032 697 HB2 ALA 90 2HB ALA 90 -6.442 8.835 -7.729 698 HB3 ALA 90 3HB ALA 90 -5.436 9.596 -6.496 699 H ASN 91 H ASN 91 -5.297 5.163 -5.493 700 HA ASN 91 HA ASN 91 -7.348 4.154 -7.342 701 HB2 ASN 91 1HB ASN 91 -6.224 1.986 -7.337 702 HB3 ASN 91 2HB ASN 91 -5.135 3.246 -7.899 703 HD21 ASN 91 1HD2 ASN 91 -4.740 0.566 -6.652 704 HD22 ASN 91 2HD2 ASN 91 -3.672 0.843 -5.327 705 HA PRO 92 HA PRO 92 -8.728 3.241 -2.947 706 HB2 PRO 92 1HB PRO 92 -11.220 4.556 -3.788 707 HB3 PRO 92 2HB PRO 92 -10.242 4.840 -2.347 708 HG2 PRO 92 1HG PRO 92 -10.404 6.618 -4.381 709 HG3 PRO 92 2HG PRO 92 -8.962 6.440 -3.368 710 HD2 PRO 92 1HD PRO 92 -9.479 5.427 -6.133 711 HD3 PRO 92 2HD PRO 92 -7.982 6.071 -5.432 712 H ALA 93 H ALA 93 -10.397 3.339 -6.083 713 HA ALA 93 HA ALA 93 -11.929 0.952 -5.447 714 HB1 ALA 93 1HB ALA 93 -13.004 2.773 -6.682 715 HB2 ALA 93 2HB ALA 93 -12.977 1.281 -7.619 716 HB3 ALA 93 3HB ALA 93 -11.838 2.574 -7.988 717 H ALA 94 H ALA 94 -9.283 1.951 -7.558 718 HA ALA 94 HA ALA 94 -9.069 -0.573 -8.891 719 HB1 ALA 94 1HB ALA 94 -7.228 1.804 -8.794 720 HB2 ALA 94 2HB ALA 94 -8.319 1.329 -10.090 721 HB3 ALA 94 3HB ALA 94 -6.896 0.349 -9.730 722 H ILE 95 H ILE 95 -7.885 0.629 -5.846 723 HA ILE 95 HA ILE 95 -5.786 -1.201 -5.512 724 HB ILE 95 HB ILE 95 -6.469 0.567 -3.798 725 HG12 ILE 95 1HG1 ILE 95 -5.422 -0.614 -2.021 726 HG13 ILE 95 2HG1 ILE 95 -6.076 -2.162 -2.550 727 HG21 ILE 95 1HG2 ILE 95 -8.340 -1.605 -2.879 728 HG22 ILE 95 2HG2 ILE 95 -8.829 -0.072 -3.614 729 HG23 ILE 95 3HG2 ILE 95 -8.013 -0.077 -2.051 730 HD11 ILE 95 3HD1 ILE 95 -4.019 -0.585 -4.077 731 HD12 ILE 95 1HD1 ILE 95 -4.569 -2.226 -4.400 732 HD13 ILE 95 2HD1 ILE 95 -3.646 -1.879 -2.939 733 H LYS 96 H LYS 96 -9.260 -1.502 -5.269 734 HA LYS 96 HA LYS 96 -9.397 -4.096 -4.259 735 HB2 LYS 96 1HB LYS 96 -11.217 -2.378 -5.814 736 HB3 LYS 96 2HB LYS 96 -11.526 -4.105 -5.924 737 HG2 LYS 96 1HG LYS 96 -11.374 -2.496 -3.388 738 HG3 LYS 96 2HG LYS 96 -12.844 -3.094 -4.160 739 HD2 LYS 96 1HD LYS 96 -11.927 -5.415 -3.899 740 HD3 LYS 96 2HD LYS 96 -10.613 -4.721 -2.933 741 HE2 LYS 96 1HE LYS 96 -12.172 -3.929 -1.290 742 HE3 LYS 96 2HE LYS 96 -13.547 -4.379 -2.296 743 HZ1 LYS 96 3HZ LYS 96 -13.209 -5.990 -0.551 744 HZ2 LYS 96 1HZ LYS 96 -11.613 -6.255 -1.050 745 HZ3 LYS 96 2HZ LYS 96 -12.894 -6.706 -2.052 746 H GLN 97 H GLN 97 -8.851 -2.956 -7.530 747 HA GLN 97 HA GLN 97 -8.907 -5.352 -8.920 748 HB2 GLN 97 1HB GLN 97 -8.599 -3.169 -10.006 749 HB3 GLN 97 2HB GLN 97 -7.021 -3.001 -9.261 750 HG2 GLN 97 1HG GLN 97 -7.469 -5.387 -10.962 751 HG3 GLN 97 2HG GLN 97 -7.358 -3.823 -11.765 752 HE21 GLN 97 1HE2 GLN 97 -5.645 -6.276 -10.022 753 HE22 GLN 97 2HE2 GLN 97 -4.055 -5.620 -10.239 754 H ALA 98 H ALA 98 -6.101 -3.830 -7.325 755 HA ALA 98 HA ALA 98 -4.474 -6.160 -7.669 756 HB1 ALA 98 1HB ALA 98 -2.779 -4.952 -6.398 757 HB2 ALA 98 2HB ALA 98 -3.994 -3.792 -5.858 758 HB3 ALA 98 3HB ALA 98 -3.543 -3.862 -7.559 759 H ILE 99 H ILE 99 -6.271 -4.806 -5.070 760 HA ILE 99 HA ILE 99 -5.199 -6.345 -2.978 761 HB ILE 99 HB ILE 99 -6.862 -4.146 -3.173 762 HG12 ILE 99 1HG1 ILE 99 -5.243 -4.370 -1.452 763 HG13 ILE 99 2HG1 ILE 99 -6.811 -4.216 -0.662 764 HG21 ILE 99 1HG2 ILE 99 -8.864 -4.473 -2.053 765 HG22 ILE 99 2HG2 ILE 99 -8.450 -6.138 -1.629 766 HG23 ILE 99 3HG2 ILE 99 -8.806 -5.720 -3.305 767 HD11 ILE 99 3HD1 ILE 99 -5.072 -6.616 -0.915 768 HD12 ILE 99 1HD1 ILE 99 -6.817 -6.801 -0.728 769 HD13 ILE 99 2HD1 ILE 99 -5.871 -5.951 0.520 770 H ALA 100 H ALA 100 -8.026 -6.793 -5.003 771 HA ALA 100 HA ALA 100 -8.874 -9.032 -3.380 772 HB1 ALA 100 1HB ALA 100 -10.194 -7.857 -5.827 773 HB2 ALA 100 2HB ALA 100 -10.579 -7.463 -4.151 774 HB3 ALA 100 3HB ALA 100 -10.880 -9.088 -4.766 775 H ALA 101 H ALA 101 -7.685 -8.407 -6.661 776 HA ALA 101 HA ALA 101 -8.097 -11.071 -7.571 777 HB1 ALA 101 1HB ALA 101 -6.285 -8.945 -8.700 778 HB2 ALA 101 2HB ALA 101 -7.983 -9.176 -9.111 779 HB3 ALA 101 3HB ALA 101 -6.800 -10.417 -9.522 780 H ASN 102 H ASN 102 -5.342 -9.358 -6.159 781 HA ASN 102 HA ASN 102 -3.625 -11.661 -6.662 782 HB2 ASN 102 1HB ASN 102 -3.045 -9.058 -5.249 783 HB3 ASN 102 2HB ASN 102 -1.859 -10.327 -5.540 784 HD21 ASN 102 1HD2 ASN 102 -3.644 -7.745 -6.872 785 HD22 ASN 102 2HD2 ASN 102 -2.915 -7.751 -8.446 786 H ALA 103 H ALA 103 -4.496 -9.839 -3.724 787 HA ALA 103 HA ALA 103 -3.901 -11.919 -1.928 788 HB1 ALA 103 1HB ALA 103 -4.792 -10.604 -0.285 789 HB2 ALA 103 2HB ALA 103 -6.118 -10.039 -1.298 790 HB3 ALA 103 3HB ALA 103 -4.501 -9.379 -1.525 Start of MODEL 4 1 H1 MET 1 1H MET 1 -9.735 1.589 10.751 2 H2 MET 1 2H MET 1 -8.893 0.219 11.270 3 H3 MET 1 3H MET 1 -9.196 0.447 9.628 4 HA MET 1 HA MET 1 -7.790 2.368 9.577 5 HB2 MET 1 1HB MET 1 -8.228 3.068 11.904 6 HB3 MET 1 2HB MET 1 -7.301 1.698 12.487 7 HG2 MET 1 1HG MET 1 -6.027 3.702 10.679 8 HG3 MET 1 2HG MET 1 -6.228 4.054 12.393 9 HE1 MET 1 3HE MET 1 -5.166 2.628 14.327 10 HE2 MET 1 1HE MET 1 -4.111 1.236 14.079 11 HE3 MET 1 2HE MET 1 -5.828 1.119 13.697 12 H VAL 2 H VAL 2 -6.110 1.754 8.422 13 HA VAL 2 HA VAL 2 -4.976 -0.910 8.776 14 HB VAL 2 HB VAL 2 -4.404 -0.878 6.593 15 HG11 VAL 2 1HG1 VAL 2 -6.765 -0.324 6.568 16 HG12 VAL 2 2HG1 VAL 2 -5.939 0.418 5.195 17 HG13 VAL 2 3HG1 VAL 2 -6.380 1.396 6.592 18 HG21 VAL 2 3HG2 VAL 2 -2.787 1.010 7.122 19 HG22 VAL 2 1HG2 VAL 2 -4.034 2.091 6.509 20 HG23 VAL 2 2HG2 VAL 2 -3.336 0.851 5.456 21 H THR 3 H THR 3 -2.796 -1.299 9.149 22 HA THR 3 HA THR 3 -1.600 0.456 10.999 23 HB THR 3 HB THR 3 -1.023 -2.183 9.826 24 HG1 THR 3 1HG THR 3 -0.600 -2.592 12.084 25 HG21 THR 3 3HG2 THR 3 1.097 -1.021 9.380 26 HG22 THR 3 1HG2 THR 3 1.270 -2.287 10.608 27 HG23 THR 3 2HG2 THR 3 1.202 -0.593 11.098 28 H GLN 4 H GLN 4 0.191 1.721 10.893 29 HA GLN 4 HA GLN 4 1.347 2.183 8.232 30 HB2 GLN 4 1HB GLN 4 2.107 4.405 9.382 31 HB3 GLN 4 2HB GLN 4 0.471 4.248 8.765 32 HG2 GLN 4 1HG GLN 4 0.156 5.233 10.820 33 HG3 GLN 4 2HG GLN 4 -0.138 3.529 11.156 34 HE21 GLN 4 1HE2 GLN 4 3.048 4.971 10.727 35 HE22 GLN 4 2HE2 GLN 4 3.560 4.749 12.361 36 H PHE 5 H PHE 5 3.368 1.598 7.940 37 HA PHE 5 HA PHE 5 5.043 0.690 10.078 38 HB2 PHE 5 1HB PHE 5 5.647 1.221 7.165 39 HB3 PHE 5 2HB PHE 5 6.818 0.572 8.299 40 HD1 PHE 5 2HD PHE 5 4.919 -1.280 9.792 41 HD2 PHE 5 1HD PHE 5 5.552 -0.543 5.651 42 HE1 PHE 5 2HE PHE 5 4.155 -3.560 9.272 43 HE2 PHE 5 1HE PHE 5 4.798 -2.818 5.118 44 HZ PHE 5 HZ PHE 5 4.093 -4.333 6.934 45 H LYS 6 H LYS 6 7.239 1.579 10.418 46 HA LYS 6 HA LYS 6 7.190 4.507 10.252 47 HB2 LYS 6 1HB LYS 6 8.462 4.500 12.398 48 HB3 LYS 6 2HB LYS 6 6.819 3.886 12.524 49 HG2 LYS 6 1HG LYS 6 7.677 1.601 12.479 50 HG3 LYS 6 2HG LYS 6 9.323 2.220 12.371 51 HD2 LYS 6 1HD LYS 6 8.847 1.613 14.660 52 HD3 LYS 6 2HD LYS 6 8.997 3.366 14.538 53 HE2 LYS 6 1HE LYS 6 6.566 3.580 14.516 54 HE3 LYS 6 2HE LYS 6 6.401 1.828 14.596 55 HZ1 LYS 6 3HZ LYS 6 6.111 2.837 16.763 56 HZ2 LYS 6 1HZ LYS 6 7.645 3.544 16.674 57 HZ3 LYS 6 2HZ LYS 6 7.490 1.863 16.751 58 H THR 7 H THR 7 8.894 1.690 9.435 59 HA THR 7 HA THR 7 11.141 3.341 8.572 60 HB THR 7 HB THR 7 12.753 1.576 9.096 61 HG1 THR 7 1HG THR 7 11.679 0.048 10.815 62 HG21 THR 7 3HG2 THR 7 11.126 2.510 11.459 63 HG22 THR 7 1HG2 THR 7 12.491 3.346 10.723 64 HG23 THR 7 2HG2 THR 7 12.742 1.817 11.562 65 H ALA 8 H ALA 8 12.192 2.698 6.696 66 HA ALA 8 HA ALA 8 10.738 1.352 4.714 67 HB1 ALA 8 1HB ALA 8 12.816 1.327 3.447 68 HB2 ALA 8 2HB ALA 8 13.738 1.675 4.907 69 HB3 ALA 8 3HB ALA 8 12.625 2.879 4.263 70 H SER 9 H SER 9 12.956 0.265 7.175 71 HA SER 9 HA SER 9 13.377 -2.370 6.310 72 HB2 SER 9 1HB SER 9 13.287 -1.360 9.160 73 HB3 SER 9 2HB SER 9 14.111 -2.806 8.579 74 HG SER 9 HG SER 9 15.120 -0.998 7.103 75 H GLU 10 H GLU 10 10.810 -0.895 8.301 76 HA GLU 10 HA GLU 10 9.537 -3.310 9.046 77 HB2 GLU 10 1HB GLU 10 8.440 -0.534 8.620 78 HB3 GLU 10 2HB GLU 10 7.451 -1.863 9.203 79 HG2 GLU 10 1HG GLU 10 9.889 -0.731 10.549 80 HG3 GLU 10 2HG GLU 10 8.213 -0.481 11.033 81 H PHE 11 H PHE 11 9.153 -1.218 6.257 82 HA PHE 11 HA PHE 11 7.127 -2.687 4.958 83 HB2 PHE 11 1HB PHE 11 7.293 -0.606 4.065 84 HB3 PHE 11 2HB PHE 11 9.035 -0.525 4.278 85 HD1 PHE 11 1HD PHE 11 6.320 -1.557 2.056 86 HD2 PHE 11 2HD PHE 11 10.531 -1.251 2.540 87 HE1 PHE 11 1HE PHE 11 6.615 -1.906 -0.359 88 HE2 PHE 11 2HE PHE 11 10.837 -1.606 0.124 89 HZ PHE 11 HZ PHE 11 8.877 -1.930 -1.328 90 H ASP 12 H ASP 12 10.651 -2.714 4.612 91 HA ASP 12 HA ASP 12 10.868 -4.549 2.532 92 HB2 ASP 12 1HB ASP 12 12.740 -3.190 3.285 93 HB3 ASP 12 2HB ASP 12 12.764 -4.034 4.829 94 H SER 13 H SER 13 10.743 -5.124 6.022 95 HA SER 13 HA SER 13 11.244 -7.911 5.804 96 HB2 SER 13 1HB SER 13 9.967 -6.394 8.091 97 HB3 SER 13 2HB SER 13 10.696 -7.999 8.178 98 HG SER 13 HG SER 13 11.878 -5.531 8.234 99 H ALA 14 H ALA 14 8.286 -5.989 5.923 100 HA ALA 14 HA ALA 14 6.515 -8.189 6.211 101 HB1 ALA 14 1HB ALA 14 4.788 -6.615 5.327 102 HB2 ALA 14 2HB ALA 14 6.075 -5.436 5.063 103 HB3 ALA 14 3HB ALA 14 5.703 -5.982 6.699 104 H ILE 15 H ILE 15 7.566 -6.319 3.395 105 HA ILE 15 HA ILE 15 6.016 -7.728 1.528 106 HB ILE 15 HB ILE 15 7.368 -6.636 -0.178 107 HG12 ILE 15 1HG1 ILE 15 9.035 -5.454 2.031 108 HG13 ILE 15 2HG1 ILE 15 9.521 -6.921 1.194 109 HG21 ILE 15 1HG2 ILE 15 6.908 -4.323 0.471 110 HG22 ILE 15 2HG2 ILE 15 6.718 -4.828 2.150 111 HG23 ILE 15 3HG2 ILE 15 5.578 -5.389 0.927 112 HD11 ILE 15 3HD1 ILE 15 10.606 -4.958 0.270 113 HD12 ILE 15 1HD1 ILE 15 9.033 -4.245 -0.081 114 HD13 ILE 15 2HD1 ILE 15 9.542 -5.713 -0.916 115 H ALA 16 H ALA 16 9.052 -8.515 3.018 116 HA ALA 16 HA ALA 16 9.917 -10.294 0.918 117 HB1 ALA 16 1HB ALA 16 11.506 -9.183 2.439 118 HB2 ALA 16 2HB ALA 16 11.680 -10.939 2.433 119 HB3 ALA 16 3HB ALA 16 10.857 -10.141 3.772 120 H GLN 17 H GLN 17 7.516 -10.513 3.187 121 HA GLN 17 HA GLN 17 7.864 -13.304 3.806 122 HB2 GLN 17 1HB GLN 17 5.602 -11.379 4.354 123 HB3 GLN 17 2HB GLN 17 5.591 -13.063 4.862 124 HG2 GLN 17 1HG GLN 17 7.658 -12.641 6.153 125 HG3 GLN 17 2HG GLN 17 7.538 -10.937 5.717 126 HE21 GLN 17 1HE2 GLN 17 4.653 -10.865 5.901 127 HE22 GLN 17 2HE2 GLN 17 4.263 -10.926 7.583 128 H ASP 18 H ASP 18 6.167 -14.893 3.303 129 HA ASP 18 HA ASP 18 5.752 -14.925 0.464 130 HB2 ASP 18 1HB ASP 18 4.941 -16.924 2.587 131 HB3 ASP 18 2HB ASP 18 4.868 -17.200 0.851 132 H LYS 19 H LYS 19 4.190 -13.115 2.321 133 HA LYS 19 HA LYS 19 1.468 -13.908 1.649 134 HB2 LYS 19 1HB LYS 19 2.639 -12.180 3.768 135 HB3 LYS 19 2HB LYS 19 0.948 -12.053 3.289 136 HG2 LYS 19 1HG LYS 19 0.793 -14.491 3.602 137 HG3 LYS 19 2HG LYS 19 2.361 -14.432 4.411 138 HD2 LYS 19 1HD LYS 19 0.733 -14.310 6.134 139 HD3 LYS 19 2HD LYS 19 1.345 -12.667 5.923 140 HE2 LYS 19 1HE LYS 19 -0.607 -12.319 4.331 141 HE3 LYS 19 2HE LYS 19 -1.255 -13.826 4.973 142 HZ1 LYS 19 3HZ LYS 19 -0.681 -11.349 6.506 143 HZ2 LYS 19 1HZ LYS 19 -1.131 -12.826 7.210 144 HZ3 LYS 19 2HZ LYS 19 -2.201 -12.024 6.178 145 H LEU 20 H LEU 20 0.008 -12.060 1.448 146 HA LEU 20 HA LEU 20 1.021 -10.227 -0.603 147 HB2 LEU 20 1HB LEU 20 -1.148 -11.525 -0.854 148 HB3 LEU 20 2HB LEU 20 -1.817 -10.522 0.411 149 HG LEU 20 HG LEU 20 -2.570 -9.744 -1.743 150 HD11 LEU 20 1HD1 LEU 20 -0.560 -7.835 -0.588 151 HD12 LEU 20 2HD1 LEU 20 -2.250 -8.008 -0.115 152 HD13 LEU 20 3HD1 LEU 20 -1.844 -7.413 -1.722 153 HD21 LEU 20 3HD2 LEU 20 -1.114 -8.967 -3.481 154 HD22 LEU 20 1HD2 LEU 20 -0.711 -10.638 -3.083 155 HD23 LEU 20 2HD2 LEU 20 0.309 -9.322 -2.497 156 H VAL 21 H VAL 21 2.023 -8.515 0.236 157 HA VAL 21 HA VAL 21 0.810 -7.228 2.590 158 HB VAL 21 HB VAL 21 3.638 -7.044 1.518 159 HG11 VAL 21 1HG1 VAL 21 2.914 -4.842 2.281 160 HG12 VAL 21 2HG1 VAL 21 4.107 -5.535 3.388 161 HG13 VAL 21 3HG1 VAL 21 2.391 -5.535 3.816 162 HG21 VAL 21 3HG2 VAL 21 2.529 -8.045 4.140 163 HG22 VAL 21 1HG2 VAL 21 4.229 -8.013 3.672 164 HG23 VAL 21 2HG2 VAL 21 3.097 -9.056 2.810 165 H VAL 22 H VAL 22 -0.462 -5.571 2.174 166 HA VAL 22 HA VAL 22 -0.097 -3.986 -0.248 167 HB VAL 22 HB VAL 22 -2.202 -3.627 1.890 168 HG11 VAL 22 1HG1 VAL 22 -3.484 -2.601 -0.000 169 HG12 VAL 22 2HG1 VAL 22 -2.011 -2.679 -0.972 170 HG13 VAL 22 3HG1 VAL 22 -2.051 -1.705 0.496 171 HG21 VAL 22 3HG2 VAL 22 -3.709 -4.929 0.406 172 HG22 VAL 22 1HG2 VAL 22 -2.415 -5.884 1.126 173 HG23 VAL 22 2HG2 VAL 22 -2.305 -5.384 -0.557 174 H VAL 23 H VAL 23 1.612 -2.596 0.081 175 HA VAL 23 HA VAL 23 1.480 -0.829 2.437 176 HB VAL 23 HB VAL 23 3.761 -1.549 0.588 177 HG11 VAL 23 1HG1 VAL 23 3.796 0.887 1.037 178 HG12 VAL 23 2HG1 VAL 23 5.159 0.038 1.763 179 HG13 VAL 23 3HG1 VAL 23 3.800 0.535 2.765 180 HG21 VAL 23 3HG2 VAL 23 3.585 -1.690 3.587 181 HG22 VAL 23 1HG2 VAL 23 4.772 -2.453 2.534 182 HG23 VAL 23 2HG2 VAL 23 3.103 -3.015 2.534 183 H ALA 24 H ALA 24 1.213 1.358 2.178 184 HA ALA 24 HA ALA 24 1.050 2.422 -0.554 185 HB1 ALA 24 1HB ALA 24 -0.914 3.629 -0.095 186 HB2 ALA 24 2HB ALA 24 -0.847 3.195 1.608 187 HB3 ALA 24 3HB ALA 24 -1.204 1.965 0.405 188 H PHE 25 H PHE 25 1.828 4.389 -0.903 189 HA PHE 25 HA PHE 25 3.102 5.699 1.367 190 HB2 PHE 25 1HB PHE 25 3.355 6.026 -1.609 191 HB3 PHE 25 2HB PHE 25 4.167 7.092 -0.453 192 HD1 PHE 25 1HD PHE 25 5.410 5.735 1.491 193 HD2 PHE 25 2HD PHE 25 4.571 4.247 -2.404 194 HE1 PHE 25 1HE PHE 25 7.195 4.067 1.748 195 HE2 PHE 25 2HE PHE 25 6.373 2.583 -2.159 196 HZ PHE 25 HZ PHE 25 7.679 2.490 -0.078 197 H TYR 26 H TYR 26 2.267 7.331 2.341 198 HA TYR 26 HA TYR 26 -0.033 8.783 1.180 199 HB2 TYR 26 1HB TYR 26 0.439 7.479 3.787 200 HB3 TYR 26 2HB TYR 26 -0.225 9.100 3.897 201 HD1 TYR 26 2HD TYR 26 -0.958 6.428 1.395 202 HD2 TYR 26 1HD TYR 26 -2.349 8.786 4.648 203 HE1 TYR 26 2HE TYR 26 -3.222 5.511 1.095 204 HE2 TYR 26 1HE TYR 26 -4.605 7.872 4.365 205 HH TYR 26 HH TYR 26 -5.944 6.840 2.549 206 H ALA 27 H ALA 27 -0.378 10.808 2.724 207 HA ALA 27 HA ALA 27 1.954 11.909 3.933 208 HB1 ALA 27 1HB ALA 27 2.134 13.900 2.507 209 HB2 ALA 27 2HB ALA 27 0.909 13.239 1.423 210 HB3 ALA 27 3HB ALA 27 2.467 12.429 1.592 211 H THR 28 H THR 28 1.444 14.113 4.817 212 HA THR 28 HA THR 28 -1.256 14.132 5.846 213 HB THR 28 HB THR 28 -0.281 16.212 7.076 214 HG1 THR 28 1HG THR 28 1.856 16.497 6.908 215 HG21 THR 28 3HG2 THR 28 0.780 14.758 8.739 216 HG22 THR 28 1HG2 THR 28 0.842 13.448 7.562 217 HG23 THR 28 2HG2 THR 28 -0.714 14.040 8.139 218 H TRP 29 H TRP 29 0.148 15.320 3.120 219 HA TRP 29 HA TRP 29 -1.584 17.690 3.038 220 HB2 TRP 29 1HB TRP 29 0.187 18.671 1.512 221 HB3 TRP 29 2HB TRP 29 0.622 18.523 3.212 222 HD1 TRP 29 HD TRP 29 1.110 16.545 -0.065 223 HE1 TRP 29 1HE TRP 29 3.423 15.397 0.013 224 HE3 TRP 29 3HE TRP 29 2.523 17.934 4.633 225 HZ2 TRP 29 2HZ TRP 29 5.556 15.129 1.844 226 HZ3 TRP 29 3HZ TRP 29 4.712 17.193 5.478 227 HH2 TRP 29 HH TRP 29 6.195 15.819 4.112 228 H CYS 30 H CYS 30 -2.308 15.061 2.129 229 HA CYS 30 HA CYS 30 -2.647 15.680 -0.719 230 HB2 CYS 30 1HB CYS 30 -2.518 13.190 -1.159 231 HB3 CYS 30 2HB CYS 30 -0.999 13.991 -0.771 232 H GLY 31 H GLY 31 -4.658 15.861 -1.232 233 HA2 GLY 31 1HA GLY 31 -6.849 15.124 0.368 234 HA3 GLY 31 2HA GLY 31 -6.922 15.611 -1.316 235 HA PRO 32 HA PRO 32 -7.457 11.452 -2.867 236 HB2 PRO 32 1HB PRO 32 -4.583 10.727 -3.134 237 HB3 PRO 32 2HB PRO 32 -5.884 10.626 -4.324 238 HG2 PRO 32 1HG PRO 32 -4.074 12.536 -4.518 239 HG3 PRO 32 2HG PRO 32 -5.787 12.902 -4.805 240 HD2 PRO 32 1HD PRO 32 -4.120 13.428 -2.367 241 HD3 PRO 32 2HD PRO 32 -5.296 14.487 -3.160 242 H CYS 33 H CYS 33 -4.580 11.371 -0.783 243 HA CYS 33 HA CYS 33 -4.782 8.785 0.205 244 HB2 CYS 33 1HB CYS 33 -3.945 11.147 1.880 245 HB3 CYS 33 2HB CYS 33 -3.349 9.492 1.960 246 H LYS 34 H LYS 34 -6.388 11.720 1.274 247 HA LYS 34 HA LYS 34 -7.520 10.675 3.617 248 HB2 LYS 34 1HB LYS 34 -7.335 13.059 3.200 249 HB3 LYS 34 2HB LYS 34 -8.422 12.930 1.827 250 HG2 LYS 34 1HG LYS 34 -10.260 12.364 3.284 251 HG3 LYS 34 2HG LYS 34 -9.182 12.356 4.682 252 HD2 LYS 34 1HD LYS 34 -10.485 14.444 4.499 253 HD3 LYS 34 2HD LYS 34 -8.744 14.719 4.405 254 HE2 LYS 34 1HE LYS 34 -8.910 14.824 1.955 255 HE3 LYS 34 2HE LYS 34 -10.651 14.586 2.071 256 HZ1 LYS 34 3HZ LYS 34 -9.180 16.867 3.266 257 HZ2 LYS 34 1HZ LYS 34 -10.858 16.660 3.223 258 HZ3 LYS 34 2HZ LYS 34 -10.000 16.924 1.790 259 H MET 35 H MET 35 -9.018 11.149 0.396 260 HA MET 35 HA MET 35 -11.520 10.129 1.139 261 HB2 MET 35 1HB MET 35 -11.956 9.932 -1.298 262 HB3 MET 35 2HB MET 35 -11.344 11.503 -0.805 263 HG2 MET 35 1HG MET 35 -9.096 10.811 -1.548 264 HG3 MET 35 2HG MET 35 -9.790 9.298 -2.119 265 HE1 MET 35 3HE MET 35 -9.697 13.188 -2.544 266 HE2 MET 35 1HE MET 35 -11.417 12.891 -2.300 267 HE3 MET 35 2HE MET 35 -10.832 13.440 -3.868 268 H ILE 36 H ILE 36 -8.819 8.430 -0.496 269 HA ILE 36 HA ILE 36 -10.374 6.021 -0.535 270 HB ILE 36 HB ILE 36 -8.933 5.266 -2.018 271 HG12 ILE 36 1HG1 ILE 36 -7.630 4.547 0.101 272 HG13 ILE 36 2HG1 ILE 36 -6.859 4.420 -1.462 273 HG21 ILE 36 1HG2 ILE 36 -7.332 7.764 -1.544 274 HG22 ILE 36 2HG2 ILE 36 -8.685 7.581 -2.660 275 HG23 ILE 36 3HG2 ILE 36 -7.187 6.692 -2.937 276 HD11 ILE 36 3HD1 ILE 36 -5.366 5.266 0.260 277 HD12 ILE 36 1HD1 ILE 36 -6.450 6.632 0.534 278 HD13 ILE 36 2HD1 ILE 36 -5.618 6.464 -1.017 279 H ALA 37 H ALA 37 -8.575 7.625 1.829 280 HA ALA 37 HA ALA 37 -7.438 5.505 3.230 281 HB1 ALA 37 1HB ALA 37 -8.545 8.025 4.447 282 HB2 ALA 37 2HB ALA 37 -6.964 7.876 3.668 283 HB3 ALA 37 3HB ALA 37 -7.322 6.955 5.137 284 HA PRO 38 HA PRO 38 -11.626 4.785 5.527 285 HB2 PRO 38 1HB PRO 38 -13.841 5.847 4.297 286 HB3 PRO 38 2HB PRO 38 -13.056 6.547 5.717 287 HG2 PRO 38 1HG PRO 38 -12.785 7.294 2.839 288 HG3 PRO 38 2HG PRO 38 -12.881 8.340 4.268 289 HD2 PRO 38 1HD PRO 38 -10.545 7.826 3.055 290 HD3 PRO 38 2HD PRO 38 -10.662 8.016 4.816 291 H MET 39 H MET 39 -11.600 5.294 1.979 292 HA MET 39 HA MET 39 -13.320 3.098 1.436 293 HB2 MET 39 1HB MET 39 -11.197 4.293 -0.337 294 HB3 MET 39 2HB MET 39 -12.447 3.183 -0.869 295 HG2 MET 39 1HG MET 39 -12.845 5.962 0.214 296 HG3 MET 39 2HG MET 39 -13.057 5.432 -1.454 297 HE1 MET 39 3HE MET 39 -15.460 6.521 -1.535 298 HE2 MET 39 1HE MET 39 -15.284 7.077 0.131 299 HE3 MET 39 2HE MET 39 -16.731 6.194 -0.357 300 H ILE 40 H ILE 40 -9.726 3.173 1.049 301 HA ILE 40 HA ILE 40 -9.558 0.383 0.810 302 HB ILE 40 HB ILE 40 -7.489 2.470 1.539 303 HG12 ILE 40 1HG1 ILE 40 -8.039 0.786 -0.914 304 HG13 ILE 40 2HG1 ILE 40 -8.407 2.494 -0.732 305 HG21 ILE 40 1HG2 ILE 40 -6.903 0.319 2.586 306 HG22 ILE 40 2HG2 ILE 40 -5.791 0.777 1.294 307 HG23 ILE 40 3HG2 ILE 40 -7.016 -0.464 1.007 308 HD11 ILE 40 3HD1 ILE 40 -6.008 2.932 -0.465 309 HD12 ILE 40 1HD1 ILE 40 -6.435 2.247 -2.033 310 HD13 ILE 40 2HD1 ILE 40 -5.690 1.229 -0.798 311 H GLU 41 H GLU 41 -9.817 2.423 3.627 312 HA GLU 41 HA GLU 41 -9.130 0.511 5.574 313 HB2 GLU 41 1HB GLU 41 -9.554 2.888 6.100 314 HB3 GLU 41 2HB GLU 41 -11.262 2.647 5.756 315 HG2 GLU 41 1HG GLU 41 -11.373 1.005 7.582 316 HG3 GLU 41 2HG GLU 41 -9.681 1.330 7.949 317 H LYS 42 H LYS 42 -12.205 1.136 3.877 318 HA LYS 42 HA LYS 42 -13.596 -0.921 5.202 319 HB2 LYS 42 1HB LYS 42 -14.797 0.759 3.910 320 HB3 LYS 42 2HB LYS 42 -13.990 0.236 2.436 321 HG2 LYS 42 1HG LYS 42 -15.101 -2.087 3.228 322 HG3 LYS 42 2HG LYS 42 -16.276 -0.935 3.867 323 HD2 LYS 42 1HD LYS 42 -15.279 -0.977 1.030 324 HD3 LYS 42 2HD LYS 42 -16.789 -1.714 1.568 325 HE2 LYS 42 1HE LYS 42 -17.508 0.527 2.390 326 HE3 LYS 42 2HE LYS 42 -16.055 1.207 1.659 327 HZ1 LYS 42 3HZ LYS 42 -16.807 0.457 -0.492 328 HZ2 LYS 42 1HZ LYS 42 -17.997 1.422 0.224 329 HZ3 LYS 42 2HZ LYS 42 -18.177 -0.258 0.192 330 H PHE 43 H PHE 43 -11.589 -0.823 2.348 331 HA PHE 43 HA PHE 43 -12.002 -3.522 1.703 332 HB2 PHE 43 1HB PHE 43 -9.811 -1.659 0.878 333 HB3 PHE 43 2HB PHE 43 -10.006 -3.307 0.285 334 HD1 PHE 43 1HD PHE 43 -13.198 -2.175 0.906 335 HD2 PHE 43 2HD PHE 43 -9.996 -1.686 -1.866 336 HE1 PHE 43 1HE PHE 43 -14.787 -1.382 -0.806 337 HE2 PHE 43 2HE PHE 43 -11.585 -0.899 -3.569 338 HZ PHE 43 HZ PHE 43 -13.982 -0.746 -3.040 339 H SER 44 H SER 44 -9.974 -1.992 4.076 340 HA SER 44 HA SER 44 -8.232 -4.260 4.307 341 HB2 SER 44 1HB SER 44 -7.790 -3.146 6.648 342 HB3 SER 44 2HB SER 44 -7.133 -2.413 5.188 343 HG SER 44 HG SER 44 -9.674 -1.629 6.044 344 H GLU 45 H GLU 45 -11.395 -3.475 5.203 345 HA GLU 45 HA GLU 45 -11.554 -5.553 7.240 346 HB2 GLU 45 1HB GLU 45 -13.048 -3.481 7.151 347 HB3 GLU 45 2HB GLU 45 -13.847 -4.231 5.778 348 HG2 GLU 45 1HG GLU 45 -15.179 -4.707 7.648 349 HG3 GLU 45 2HG GLU 45 -14.317 -6.199 7.277 350 H GLN 46 H GLN 46 -11.776 -5.155 3.837 351 HA GLN 46 HA GLN 46 -13.226 -7.569 3.330 352 HB2 GLN 46 1HB GLN 46 -11.702 -5.924 1.333 353 HB3 GLN 46 2HB GLN 46 -12.963 -7.100 0.994 354 HG2 GLN 46 1HG GLN 46 -14.527 -5.609 2.297 355 HG3 GLN 46 2HG GLN 46 -13.248 -4.406 2.291 356 HE21 GLN 46 1HE2 GLN 46 -15.898 -4.297 1.096 357 HE22 GLN 46 2HE2 GLN 46 -15.657 -4.029 -0.597 358 H TYR 47 H TYR 47 -9.821 -6.715 3.323 359 HA TYR 47 HA TYR 47 -9.306 -9.524 2.676 360 HB2 TYR 47 1HB TYR 47 -6.882 -8.847 2.314 361 HB3 TYR 47 2HB TYR 47 -8.061 -8.515 1.069 362 HD1 TYR 47 1HD TYR 47 -8.892 -6.235 0.789 363 HD2 TYR 47 2HD TYR 47 -5.540 -7.066 3.281 364 HE1 TYR 47 1HE TYR 47 -8.148 -3.890 0.574 365 HE2 TYR 47 2HE TYR 47 -4.807 -4.745 3.071 366 HH TYR 47 HH TYR 47 -6.799 -2.287 1.759 367 HA PRO 48 HA PRO 48 -7.874 -9.749 6.941 368 HB2 PRO 48 1HB PRO 48 -9.153 -12.307 7.089 369 HB3 PRO 48 2HB PRO 48 -9.609 -10.818 7.920 370 HG2 PRO 48 1HG PRO 48 -11.115 -12.040 5.959 371 HG3 PRO 48 2HG PRO 48 -11.231 -10.327 6.396 372 HD2 PRO 48 1HD PRO 48 -9.772 -11.611 4.117 373 HD3 PRO 48 2HD PRO 48 -10.704 -10.096 4.154 374 H GLN 49 H GLN 49 -7.639 -11.586 4.064 375 HA GLN 49 HA GLN 49 -5.702 -13.485 5.106 376 HB2 GLN 49 1HB GLN 49 -5.626 -14.382 2.860 377 HB3 GLN 49 2HB GLN 49 -7.302 -14.171 3.337 378 HG2 GLN 49 1HG GLN 49 -7.673 -12.503 1.841 379 HG3 GLN 49 2HG GLN 49 -6.005 -11.938 1.890 380 HE21 GLN 49 1HE2 GLN 49 -4.448 -13.010 0.670 381 HE22 GLN 49 2HE2 GLN 49 -4.874 -13.970 -0.701 382 H ALA 50 H ALA 50 -5.785 -10.425 3.655 383 HA ALA 50 HA ALA 50 -2.937 -10.542 2.983 384 HB1 ALA 50 1HB ALA 50 -4.365 -10.169 1.021 385 HB2 ALA 50 2HB ALA 50 -3.376 -8.751 1.372 386 HB3 ALA 50 3HB ALA 50 -5.083 -8.766 1.810 387 H ASP 51 H ASP 51 -1.699 -8.723 3.585 388 HA ASP 51 HA ASP 51 -2.764 -7.602 6.039 389 HB2 ASP 51 1HB ASP 51 -0.013 -8.029 4.973 390 HB3 ASP 51 2HB ASP 51 -0.258 -6.778 6.188 391 H PHE 52 H PHE 52 -3.651 -5.750 6.081 392 HA PHE 52 HA PHE 52 -3.224 -3.839 3.967 393 HB2 PHE 52 1HB PHE 52 -4.939 -2.511 5.408 394 HB3 PHE 52 2HB PHE 52 -5.475 -3.899 4.476 395 HD1 PHE 52 1HD PHE 52 -5.807 -6.102 5.703 396 HD2 PHE 52 2HD PHE 52 -5.238 -2.388 7.684 397 HE1 PHE 52 1HE PHE 52 -6.850 -7.022 7.731 398 HE2 PHE 52 2HE PHE 52 -6.272 -3.301 9.707 399 HZ PHE 52 HZ PHE 52 -7.073 -5.626 9.741 400 H TYR 53 H TYR 53 -1.480 -2.502 4.124 401 HA TYR 53 HA TYR 53 -1.343 -0.976 6.648 402 HB2 TYR 53 1HB TYR 53 1.091 -1.492 4.911 403 HB3 TYR 53 2HB TYR 53 1.033 -0.834 6.554 404 HD1 TYR 53 1HD TYR 53 0.234 -2.379 8.403 405 HD2 TYR 53 2HD TYR 53 1.488 -3.792 4.605 406 HE1 TYR 53 1HE TYR 53 0.663 -4.581 9.383 407 HE2 TYR 53 2HE TYR 53 1.916 -6.015 5.577 408 HH TYR 53 HH TYR 53 2.326 -7.067 7.661 409 H LYS 54 H LYS 54 -0.402 1.204 6.350 410 HA LYS 54 HA LYS 54 -0.179 2.239 3.653 411 HB2 LYS 54 1HB LYS 54 -2.606 2.638 5.181 412 HB3 LYS 54 2HB LYS 54 -1.809 4.178 4.887 413 HG2 LYS 54 1HG LYS 54 -2.062 4.042 2.625 414 HG3 LYS 54 2HG LYS 54 -2.117 2.282 2.621 415 HD2 LYS 54 1HD LYS 54 -4.333 4.010 3.704 416 HD3 LYS 54 2HD LYS 54 -4.262 3.462 2.023 417 HE2 LYS 54 1HE LYS 54 -4.583 1.822 4.512 418 HE3 LYS 54 2HE LYS 54 -5.647 1.931 3.123 419 HZ1 LYS 54 3HZ LYS 54 -2.954 0.669 3.178 420 HZ2 LYS 54 1HZ LYS 54 -3.905 0.858 1.789 421 HZ3 LYS 54 2HZ LYS 54 -4.442 -0.128 3.050 422 H LEU 55 H LEU 55 1.553 3.534 3.628 423 HA LEU 55 HA LEU 55 2.648 4.286 6.253 424 HB2 LEU 55 1HB LEU 55 4.085 4.393 3.639 425 HB3 LEU 55 2HB LEU 55 4.761 4.394 5.254 426 HG LEU 55 HG LEU 55 3.664 2.123 3.690 427 HD11 LEU 55 1HD1 LEU 55 6.054 2.711 3.710 428 HD12 LEU 55 2HD1 LEU 55 5.731 1.109 4.375 429 HD13 LEU 55 3HD1 LEU 55 6.050 2.468 5.456 430 HD21 LEU 55 3HD2 LEU 55 2.439 2.006 5.775 431 HD22 LEU 55 1HD2 LEU 55 3.941 2.214 6.673 432 HD23 LEU 55 2HD2 LEU 55 3.681 0.751 5.723 433 H ASP 56 H ASP 56 3.691 6.373 6.506 434 HA ASP 56 HA ASP 56 2.548 8.444 4.765 435 HB2 ASP 56 1HB ASP 56 3.226 10.014 6.566 436 HB3 ASP 56 2HB ASP 56 2.050 8.826 7.092 437 H VAL 57 H VAL 57 3.774 9.259 3.271 438 HA VAL 57 HA VAL 57 6.382 8.364 2.769 439 HB VAL 57 HB VAL 57 4.404 9.505 1.327 440 HG11 VAL 57 1HG1 VAL 57 4.958 11.762 2.230 441 HG12 VAL 57 2HG1 VAL 57 5.016 11.644 0.468 442 HG13 VAL 57 3HG1 VAL 57 6.513 11.651 1.400 443 HG21 VAL 57 3HG2 VAL 57 5.997 9.535 -0.549 444 HG22 VAL 57 1HG2 VAL 57 6.077 8.074 0.436 445 HG23 VAL 57 2HG2 VAL 57 7.310 9.325 0.610 446 H ASP 58 H ASP 58 5.294 10.782 4.851 447 HA ASP 58 HA ASP 58 7.436 12.631 4.652 448 HB2 ASP 58 1HB ASP 58 5.333 13.268 5.646 449 HB3 ASP 58 2HB ASP 58 5.497 12.032 6.887 450 H GLU 59 H GLU 59 6.813 9.777 6.625 451 HA GLU 59 HA GLU 59 9.534 9.857 7.678 452 HB2 GLU 59 1HB GLU 59 7.145 8.112 8.192 453 HB3 GLU 59 2HB GLU 59 8.750 7.624 8.720 454 HG2 GLU 59 1HG GLU 59 7.450 10.225 9.476 455 HG3 GLU 59 2HG GLU 59 7.385 8.759 10.456 456 H LEU 60 H LEU 60 7.607 8.240 5.283 457 HA LEU 60 HA LEU 60 9.820 6.402 4.718 458 HB2 LEU 60 1HB LEU 60 6.871 6.204 4.148 459 HB3 LEU 60 2HB LEU 60 8.053 5.165 3.368 460 HG LEU 60 HG LEU 60 7.210 3.900 5.151 461 HD11 LEU 60 1HD1 LEU 60 9.673 3.886 4.971 462 HD12 LEU 60 2HD1 LEU 60 9.085 3.526 6.597 463 HD13 LEU 60 3HD1 LEU 60 9.736 5.122 6.231 464 HD21 LEU 60 3HD2 LEU 60 6.065 5.688 6.353 465 HD22 LEU 60 1HD2 LEU 60 7.612 6.271 6.965 466 HD23 LEU 60 2HD2 LEU 60 7.014 4.685 7.449 467 H GLY 61 H GLY 61 10.322 8.865 3.791 468 HA2 GLY 61 1HA GLY 61 9.341 9.227 1.113 469 HA3 GLY 61 2HA GLY 61 10.599 10.166 1.897 470 H ASP 62 H ASP 62 12.339 8.064 2.575 471 HA ASP 62 HA ASP 62 13.768 7.869 0.139 472 HB2 ASP 62 1HB ASP 62 14.185 6.586 2.832 473 HB3 ASP 62 2HB ASP 62 15.262 6.299 1.472 474 H VAL 63 H VAL 63 11.924 5.498 2.029 475 HA VAL 63 HA VAL 63 12.443 3.304 0.335 476 HB VAL 63 HB VAL 63 11.531 2.885 2.538 477 HG11 VAL 63 1HG1 VAL 63 9.085 4.335 1.624 478 HG12 VAL 63 2HG1 VAL 63 10.231 4.867 2.854 479 HG13 VAL 63 3HG1 VAL 63 9.250 3.423 3.127 480 HG21 VAL 63 3HG2 VAL 63 9.638 1.412 1.967 481 HG22 VAL 63 1HG2 VAL 63 11.011 1.225 0.873 482 HG23 VAL 63 2HG2 VAL 63 9.597 2.149 0.365 483 H ALA 64 H ALA 64 9.932 5.777 0.311 484 HA ALA 64 HA ALA 64 8.427 4.853 -1.839 485 HB1 ALA 64 1HB ALA 64 7.728 6.699 -0.414 486 HB2 ALA 64 2HB ALA 64 7.706 7.174 -2.112 487 HB3 ALA 64 3HB ALA 64 9.023 7.705 -1.063 488 H GLN 65 H GLN 65 11.422 6.720 -1.788 489 HA GLN 65 HA GLN 65 11.412 7.300 -4.579 490 HB2 GLN 65 1HB GLN 65 13.672 7.351 -2.571 491 HB3 GLN 65 2HB GLN 65 13.752 8.014 -4.199 492 HG2 GLN 65 1HG GLN 65 11.901 8.925 -2.009 493 HG3 GLN 65 2HG GLN 65 13.366 9.745 -2.535 494 HE21 GLN 65 1HE2 GLN 65 12.911 9.188 -5.345 495 HE22 GLN 65 2HE2 GLN 65 11.630 10.233 -5.850 496 H LYS 66 H LYS 66 12.687 4.744 -2.584 497 HA LYS 66 HA LYS 66 14.373 3.465 -4.366 498 HB2 LYS 66 1HB LYS 66 12.580 2.336 -2.224 499 HB3 LYS 66 2HB LYS 66 13.868 1.445 -3.011 500 HG2 LYS 66 1HG LYS 66 15.482 3.108 -2.130 501 HG3 LYS 66 2HG LYS 66 14.143 3.858 -1.258 502 HD2 LYS 66 1HD LYS 66 13.741 1.723 -0.090 503 HD3 LYS 66 2HD LYS 66 15.137 1.031 -0.917 504 HE2 LYS 66 1HE LYS 66 15.210 3.416 0.928 505 HE3 LYS 66 2HE LYS 66 15.664 1.773 1.374 506 HZ1 LYS 66 3HZ LYS 66 17.403 1.862 -0.333 507 HZ2 LYS 66 1HZ LYS 66 17.609 3.063 0.842 508 HZ3 LYS 66 2HZ LYS 66 16.988 3.465 -0.675 509 H ASN 67 H ASN 67 10.911 3.251 -3.886 510 HA ASN 67 HA ASN 67 10.674 1.208 -5.951 511 HB2 ASN 67 1HB ASN 67 8.681 2.329 -3.975 512 HB3 ASN 67 2HB ASN 67 8.301 1.089 -5.166 513 HD21 ASN 67 1HD2 ASN 67 10.111 1.827 -2.262 514 HD22 ASN 67 2HD2 ASN 67 10.427 0.187 -1.818 515 H GLU 68 H GLU 68 11.105 4.274 -6.162 516 HA GLU 68 HA GLU 68 10.704 5.870 -7.720 517 HB2 GLU 68 1HB GLU 68 9.482 3.565 -9.240 518 HB3 GLU 68 2HB GLU 68 9.895 5.128 -9.928 519 HG2 GLU 68 1HG GLU 68 12.243 4.745 -9.427 520 HG3 GLU 68 2HG GLU 68 11.841 3.189 -8.700 521 H VAL 69 H VAL 69 8.899 5.839 -5.678 522 HA VAL 69 HA VAL 69 6.222 5.996 -6.775 523 HB VAL 69 HB VAL 69 7.276 6.492 -3.991 524 HG11 VAL 69 1HG1 VAL 69 4.425 6.366 -4.966 525 HG12 VAL 69 2HG1 VAL 69 5.259 7.802 -4.370 526 HG13 VAL 69 3HG1 VAL 69 4.930 6.455 -3.279 527 HG21 VAL 69 3HG2 VAL 69 5.747 4.178 -5.172 528 HG22 VAL 69 1HG2 VAL 69 6.227 4.343 -3.484 529 HG23 VAL 69 2HG2 VAL 69 7.455 4.180 -4.737 530 H SER 70 H SER 70 5.593 7.749 -7.807 531 HA SER 70 HA SER 70 6.499 10.370 -6.833 532 HB2 SER 70 1HB SER 70 6.241 11.032 -9.328 533 HB3 SER 70 2HB SER 70 7.673 10.122 -8.845 534 HG SER 70 HG SER 70 7.032 8.508 -10.031 535 H ALA 71 H ALA 71 4.013 8.720 -6.383 536 HA ALA 71 HA ALA 71 2.119 10.855 -6.998 537 HB1 ALA 71 1HB ALA 71 1.507 7.963 -7.589 538 HB2 ALA 71 2HB ALA 71 1.916 9.172 -8.806 539 HB3 ALA 71 3HB ALA 71 0.444 9.347 -7.849 540 H MET 72 H MET 72 0.357 10.982 -5.571 541 HA MET 72 HA MET 72 0.488 9.142 -3.270 542 HB2 MET 72 1HB MET 72 -0.365 11.054 -1.915 543 HB3 MET 72 2HB MET 72 1.221 11.359 -2.619 544 HG2 MET 72 1HG MET 72 -0.041 12.474 -4.528 545 HG3 MET 72 2HG MET 72 -1.433 12.451 -3.453 546 HE1 MET 72 3HE MET 72 -1.590 15.131 -3.765 547 HE2 MET 72 1HE MET 72 -0.255 14.843 -4.889 548 HE3 MET 72 2HE MET 72 -0.136 16.134 -3.687 549 HA PRO 73 HA PRO 73 -0.377 7.911 -2.236 550 HB2 PRO 73 1HB PRO 73 -2.104 5.690 -2.152 551 HB3 PRO 73 2HB PRO 73 -1.944 6.944 -0.922 552 HG2 PRO 73 1HG PRO 73 -4.199 6.461 -2.518 553 HG3 PRO 73 2HG PRO 73 -3.905 7.895 -1.522 554 HD2 PRO 73 1HD PRO 73 -3.527 7.505 -4.450 555 HD3 PRO 73 2HD PRO 73 -4.016 8.958 -3.557 556 H THR 74 H THR 74 0.573 5.692 -2.471 557 HA THR 74 HA THR 74 0.221 4.495 -5.107 558 HB THR 74 HB THR 74 2.895 5.211 -3.885 559 HG1 THR 74 1HG THR 74 1.968 6.913 -5.063 560 HG21 THR 74 3HG2 THR 74 2.265 3.534 -6.315 561 HG22 THR 74 1HG2 THR 74 3.066 2.998 -4.839 562 HG23 THR 74 2HG2 THR 74 3.867 4.148 -5.910 563 H LEU 75 H LEU 75 -0.352 2.395 -4.703 564 HA LEU 75 HA LEU 75 0.747 1.244 -2.237 565 HB2 LEU 75 1HB LEU 75 -1.636 0.276 -3.735 566 HB3 LEU 75 2HB LEU 75 -0.995 -0.401 -2.273 567 HG LEU 75 HG LEU 75 -1.393 2.234 -1.595 568 HD11 LEU 75 1HD1 LEU 75 -3.799 1.305 -3.134 569 HD12 LEU 75 2HD1 LEU 75 -2.688 2.567 -3.660 570 HD13 LEU 75 3HD1 LEU 75 -3.644 2.788 -2.195 571 HD21 LEU 75 3HD2 LEU 75 -1.723 0.229 -0.268 572 HD22 LEU 75 1HD2 LEU 75 -3.201 -0.126 -1.166 573 HD23 LEU 75 2HD2 LEU 75 -3.108 1.325 -0.165 574 H LEU 76 H LEU 76 1.712 -0.644 -2.255 575 HA LEU 76 HA LEU 76 2.176 -1.906 -4.858 576 HB2 LEU 76 1HB LEU 76 4.365 -1.473 -2.820 577 HB3 LEU 76 2HB LEU 76 4.536 -2.068 -4.458 578 HG LEU 76 HG LEU 76 3.707 0.751 -3.771 579 HD11 LEU 76 1HD1 LEU 76 5.964 0.327 -2.978 580 HD12 LEU 76 2HD1 LEU 76 5.989 1.375 -4.397 581 HD13 LEU 76 3HD1 LEU 76 6.409 -0.331 -4.551 582 HD21 LEU 76 3HD2 LEU 76 4.330 1.165 -6.130 583 HD22 LEU 76 1HD2 LEU 76 2.954 0.075 -5.954 584 HD23 LEU 76 2HD2 LEU 76 4.547 -0.572 -6.339 585 H LEU 77 H LEU 77 1.256 -3.848 -4.553 586 HA LEU 77 HA LEU 77 1.511 -5.053 -1.924 587 HB2 LEU 77 1HB LEU 77 0.382 -6.641 -4.125 588 HB3 LEU 77 2HB LEU 77 -0.184 -6.417 -2.483 589 HG LEU 77 HG LEU 77 -0.555 -4.462 -4.746 590 HD11 LEU 77 1HD1 LEU 77 -2.923 -5.111 -4.494 591 HD12 LEU 77 2HD1 LEU 77 -2.430 -6.359 -3.348 592 HD13 LEU 77 3HD1 LEU 77 -1.890 -6.437 -5.026 593 HD21 LEU 77 3HD2 LEU 77 -2.089 -3.339 -3.149 594 HD22 LEU 77 1HD2 LEU 77 -0.395 -3.266 -2.667 595 HD23 LEU 77 2HD2 LEU 77 -1.484 -4.403 -1.880 596 H PHE 78 H PHE 78 3.041 -6.389 -1.404 597 HA PHE 78 HA PHE 78 4.731 -7.390 -3.569 598 HB2 PHE 78 1HB PHE 78 5.331 -6.480 -0.794 599 HB3 PHE 78 2HB PHE 78 6.386 -7.663 -1.550 600 HD1 PHE 78 2HD PHE 78 5.058 -4.233 -1.806 601 HD2 PHE 78 1HD PHE 78 7.941 -7.025 -3.217 602 HE1 PHE 78 2HE PHE 78 6.265 -2.412 -2.935 603 HE2 PHE 78 1HE PHE 78 9.155 -5.207 -4.345 604 HZ PHE 78 HZ PHE 78 8.314 -2.897 -4.203 605 H LYS 79 H LYS 79 5.664 -9.461 -3.367 606 HA LYS 79 HA LYS 79 4.384 -11.278 -1.482 607 HB2 LYS 79 1HB LYS 79 2.956 -11.281 -3.397 608 HB3 LYS 79 2HB LYS 79 4.321 -11.437 -4.494 609 HG2 LYS 79 1HG LYS 79 4.723 -13.702 -3.554 610 HG3 LYS 79 2HG LYS 79 3.258 -13.515 -2.586 611 HD2 LYS 79 1HD LYS 79 1.952 -13.205 -4.645 612 HD3 LYS 79 2HD LYS 79 3.417 -13.426 -5.600 613 HE2 LYS 79 1HE LYS 79 2.192 -15.487 -5.587 614 HE3 LYS 79 2HE LYS 79 3.649 -15.695 -4.619 615 HZ1 LYS 79 3HZ LYS 79 2.306 -15.347 -2.626 616 HZ2 LYS 79 1HZ LYS 79 1.753 -16.668 -3.521 617 HZ3 LYS 79 2HZ LYS 79 0.915 -15.203 -3.573 618 H ASN 80 H ASN 80 5.983 -12.278 -0.539 619 HA ASN 80 HA ASN 80 8.085 -12.934 -0.007 620 HB2 ASN 80 1HB ASN 80 8.950 -14.805 -1.330 621 HB3 ASN 80 2HB ASN 80 7.229 -14.963 -1.041 622 HD21 ASN 80 1HD2 ASN 80 5.820 -14.878 -2.758 623 HD22 ASN 80 2HD2 ASN 80 6.358 -14.958 -4.396 624 H GLY 81 H GLY 81 8.126 -10.414 -1.158 625 HA2 GLY 81 1HA GLY 81 9.777 -8.892 -1.642 626 HA3 GLY 81 2HA GLY 81 10.923 -10.220 -1.669 627 H LYS 82 H LYS 82 8.423 -10.912 -3.811 628 HA LYS 82 HA LYS 82 10.178 -10.127 -6.034 629 HB2 LYS 82 1HB LYS 82 9.439 -12.010 -7.149 630 HB3 LYS 82 2HB LYS 82 9.395 -12.544 -5.486 631 HG2 LYS 82 1HG LYS 82 6.997 -12.110 -5.399 632 HG3 LYS 82 2HG LYS 82 7.037 -11.610 -7.090 633 HD2 LYS 82 1HD LYS 82 7.851 -14.337 -6.093 634 HD3 LYS 82 2HD LYS 82 6.261 -13.948 -6.748 635 HE2 LYS 82 1HE LYS 82 7.301 -13.303 -8.871 636 HE3 LYS 82 2HE LYS 82 8.887 -13.700 -8.210 637 HZ1 LYS 82 3HZ LYS 82 8.191 -15.989 -7.974 638 HZ2 LYS 82 1HZ LYS 82 8.001 -15.489 -9.578 639 HZ3 LYS 82 2HZ LYS 82 6.651 -15.621 -8.567 640 H GLU 83 H GLU 83 7.570 -9.198 -4.414 641 HA GLU 83 HA GLU 83 6.019 -7.567 -4.717 642 HB2 GLU 83 1HB GLU 83 7.693 -6.640 -6.423 643 HB3 GLU 83 2HB GLU 83 6.741 -7.462 -7.647 644 HG2 GLU 83 1HG GLU 83 4.802 -6.118 -7.067 645 HG3 GLU 83 2HG GLU 83 5.722 -5.320 -5.791 646 H VAL 84 H VAL 84 3.936 -7.268 -6.239 647 HA VAL 84 HA VAL 84 3.246 -9.681 -7.657 648 HB VAL 84 HB VAL 84 2.583 -9.887 -5.167 649 HG11 VAL 84 1HG1 VAL 84 1.522 -7.859 -4.739 650 HG12 VAL 84 2HG1 VAL 84 0.237 -9.073 -4.778 651 HG13 VAL 84 3HG1 VAL 84 0.488 -8.001 -6.158 652 HG21 VAL 84 3HG2 VAL 84 0.634 -10.438 -7.380 653 HG22 VAL 84 1HG2 VAL 84 0.555 -11.140 -5.761 654 HG23 VAL 84 2HG2 VAL 84 1.928 -11.495 -6.816 655 H ALA 85 H ALA 85 2.514 -6.415 -6.649 656 HA ALA 85 HA ALA 85 1.485 -5.815 -9.293 657 HB1 ALA 85 1HB ALA 85 -0.274 -5.249 -6.916 658 HB2 ALA 85 2HB ALA 85 -0.532 -6.589 -8.038 659 HB3 ALA 85 3HB ALA 85 -0.629 -4.920 -8.615 660 H LYS 86 H LYS 86 1.148 -3.518 -9.611 661 HA LYS 86 HA LYS 86 2.285 -1.811 -7.540 662 HB2 LYS 86 1HB LYS 86 4.081 -2.341 -9.183 663 HB3 LYS 86 2HB LYS 86 3.069 -1.697 -10.463 664 HG2 LYS 86 1HG LYS 86 3.091 0.488 -9.157 665 HG3 LYS 86 2HG LYS 86 4.410 -0.227 -8.238 666 HD2 LYS 86 1HD LYS 86 5.548 -0.655 -10.459 667 HD3 LYS 86 2HD LYS 86 4.322 0.386 -11.180 668 HE2 LYS 86 1HE LYS 86 6.194 1.771 -10.775 669 HE3 LYS 86 2HE LYS 86 5.028 2.159 -9.507 670 HZ1 LYS 86 3HZ LYS 86 7.244 1.936 -8.590 671 HZ2 LYS 86 1HZ LYS 86 7.395 0.376 -9.230 672 HZ3 LYS 86 2HZ LYS 86 6.266 0.681 -8.013 673 H VAL 87 H VAL 87 0.872 -0.202 -7.125 674 HA VAL 87 HA VAL 87 -0.579 0.912 -9.421 675 HB VAL 87 HB VAL 87 -2.107 -0.465 -8.012 676 HG11 VAL 87 1HG1 VAL 87 -1.070 -0.006 -5.844 677 HG12 VAL 87 2HG1 VAL 87 -2.820 0.232 -5.862 678 HG13 VAL 87 3HG1 VAL 87 -1.735 1.627 -5.914 679 HG21 VAL 87 3HG2 VAL 87 -2.693 2.483 -8.095 680 HG22 VAL 87 1HG2 VAL 87 -3.895 1.197 -7.945 681 HG23 VAL 87 2HG2 VAL 87 -2.936 1.341 -9.419 682 H VAL 88 H VAL 88 -0.591 3.066 -9.585 683 HA VAL 88 HA VAL 88 0.796 4.547 -7.460 684 HB VAL 88 HB VAL 88 1.430 5.110 -10.330 685 HG11 VAL 88 1HG1 VAL 88 2.335 6.710 -8.912 686 HG12 VAL 88 2HG1 VAL 88 3.681 5.595 -9.176 687 HG13 VAL 88 3HG1 VAL 88 2.748 5.521 -7.677 688 HG21 VAL 88 3HG2 VAL 88 1.740 2.661 -10.002 689 HG22 VAL 88 1HG2 VAL 88 2.884 3.022 -8.708 690 HG23 VAL 88 2HG2 VAL 88 3.239 3.527 -10.362 691 H GLY 89 H GLY 89 -1.374 5.312 -6.991 692 HA2 GLY 89 1HA GLY 89 -1.874 7.877 -7.744 693 HA3 GLY 89 2HA GLY 89 -2.753 6.928 -8.935 694 H ALA 90 H ALA 90 -4.458 8.336 -7.738 695 HA ALA 90 HA ALA 90 -5.354 7.374 -5.190 696 HB1 ALA 90 1HB ALA 90 -5.783 9.679 -5.986 697 HB2 ALA 90 2HB ALA 90 -7.260 8.830 -5.527 698 HB3 ALA 90 3HB ALA 90 -6.848 9.023 -7.230 699 H ASN 91 H ASN 91 -5.787 5.209 -5.243 700 HA ASN 91 HA ASN 91 -7.679 4.274 -7.298 701 HB2 ASN 91 1HB ASN 91 -6.465 2.148 -7.350 702 HB3 ASN 91 2HB ASN 91 -5.399 3.487 -7.763 703 HD21 ASN 91 1HD2 ASN 91 -5.171 0.704 -6.479 704 HD22 ASN 91 2HD2 ASN 91 -4.128 0.983 -5.135 705 HA PRO 92 HA PRO 92 -9.341 2.998 -3.103 706 HB2 PRO 92 1HB PRO 92 -11.877 4.003 -4.223 707 HB3 PRO 92 2HB PRO 92 -11.149 4.323 -2.648 708 HG2 PRO 92 1HG PRO 92 -11.262 6.193 -4.586 709 HG3 PRO 92 2HG PRO 92 -9.928 6.107 -3.423 710 HD2 PRO 92 1HD PRO 92 -10.021 5.221 -6.281 711 HD3 PRO 92 2HD PRO 92 -8.691 5.978 -5.380 712 H ALA 93 H ALA 93 -10.846 2.957 -6.334 713 HA ALA 93 HA ALA 93 -11.967 0.325 -5.829 714 HB1 ALA 93 1HB ALA 93 -13.285 2.001 -7.048 715 HB2 ALA 93 2HB ALA 93 -13.012 0.545 -8.004 716 HB3 ALA 93 3HB ALA 93 -12.075 2.003 -8.331 717 H ALA 94 H ALA 94 -9.324 1.791 -7.598 718 HA ALA 94 HA ALA 94 -8.717 -0.566 -9.113 719 HB1 ALA 94 1HB ALA 94 -7.901 1.196 -10.262 720 HB2 ALA 94 2HB ALA 94 -6.448 0.809 -9.336 721 HB3 ALA 94 3HB ALA 94 -7.516 2.114 -8.811 722 H ILE 95 H ILE 95 -7.900 0.527 -5.895 723 HA ILE 95 HA ILE 95 -5.658 -1.125 -5.498 724 HB ILE 95 HB ILE 95 -6.704 0.467 -3.740 725 HG12 ILE 95 1HG1 ILE 95 -5.589 -0.686 -1.974 726 HG13 ILE 95 2HG1 ILE 95 -5.967 -2.269 -2.653 727 HG21 ILE 95 1HG2 ILE 95 -8.177 -0.622 -2.107 728 HG22 ILE 95 2HG2 ILE 95 -8.304 -2.025 -3.172 729 HG23 ILE 95 3HG2 ILE 95 -8.939 -0.456 -3.688 730 HD11 ILE 95 3HD1 ILE 95 -4.125 -0.314 -3.998 731 HD12 ILE 95 1HD1 ILE 95 -4.335 -2.027 -4.340 732 HD13 ILE 95 2HD1 ILE 95 -3.576 -1.516 -2.833 733 H LYS 96 H LYS 96 -9.096 -1.729 -5.567 734 HA LYS 96 HA LYS 96 -9.064 -4.354 -4.638 735 HB2 LYS 96 1HB LYS 96 -11.034 -2.734 -4.936 736 HB3 LYS 96 2HB LYS 96 -11.061 -3.279 -6.608 737 HG2 LYS 96 1HG LYS 96 -12.658 -4.543 -5.353 738 HG3 LYS 96 2HG LYS 96 -11.308 -5.582 -5.801 739 HD2 LYS 96 1HD LYS 96 -10.348 -5.375 -3.589 740 HD3 LYS 96 2HD LYS 96 -11.610 -4.229 -3.127 741 HE2 LYS 96 1HE LYS 96 -12.183 -7.057 -3.989 742 HE3 LYS 96 2HE LYS 96 -11.938 -6.587 -2.308 743 HZ1 LYS 96 3HZ LYS 96 -14.293 -6.676 -2.971 744 HZ2 LYS 96 1HZ LYS 96 -14.022 -5.428 -4.079 745 HZ3 LYS 96 2HZ LYS 96 -13.827 -5.149 -2.420 746 H GLN 97 H GLN 97 -8.446 -2.946 -7.773 747 HA GLN 97 HA GLN 97 -8.405 -5.261 -9.335 748 HB2 GLN 97 1HB GLN 97 -8.188 -3.181 -10.455 749 HB3 GLN 97 2HB GLN 97 -6.840 -2.677 -9.450 750 HG2 GLN 97 1HG GLN 97 -6.516 -5.075 -11.191 751 HG3 GLN 97 2HG GLN 97 -6.480 -3.475 -11.926 752 HE21 GLN 97 1HE2 GLN 97 -4.377 -5.552 -11.557 753 HE22 GLN 97 2HE2 GLN 97 -3.070 -4.741 -10.752 754 H ALA 98 H ALA 98 -5.690 -3.682 -7.650 755 HA ALA 98 HA ALA 98 -3.935 -5.882 -8.052 756 HB1 ALA 98 1HB ALA 98 -2.424 -4.667 -6.471 757 HB2 ALA 98 2HB ALA 98 -3.747 -3.535 -6.148 758 HB3 ALA 98 3HB ALA 98 -3.048 -3.634 -7.761 759 H ILE 99 H ILE 99 -6.065 -4.943 -5.545 760 HA ILE 99 HA ILE 99 -4.916 -6.549 -3.515 761 HB ILE 99 HB ILE 99 -6.708 -4.444 -3.578 762 HG12 ILE 99 1HG1 ILE 99 -5.129 -4.631 -1.861 763 HG13 ILE 99 2HG1 ILE 99 -6.685 -4.821 -1.051 764 HG21 ILE 99 1HG2 ILE 99 -8.540 -6.158 -3.846 765 HG22 ILE 99 2HG2 ILE 99 -8.698 -4.990 -2.531 766 HG23 ILE 99 3HG2 ILE 99 -8.170 -6.644 -2.189 767 HD11 ILE 99 3HD1 ILE 99 -5.644 -6.608 -0.138 768 HD12 ILE 99 1HD1 ILE 99 -4.558 -6.811 -1.517 769 HD13 ILE 99 2HD1 ILE 99 -6.227 -7.375 -1.630 770 H ALA 100 H ALA 100 -7.650 -6.996 -5.666 771 HA ALA 100 HA ALA 100 -8.432 -9.373 -4.217 772 HB1 ALA 100 1HB ALA 100 -10.352 -9.465 -5.727 773 HB2 ALA 100 2HB ALA 100 -9.683 -8.132 -6.667 774 HB3 ALA 100 3HB ALA 100 -10.188 -7.868 -4.999 775 H ALA 101 H ALA 101 -7.083 -8.472 -7.338 776 HA ALA 101 HA ALA 101 -7.262 -11.090 -8.445 777 HB1 ALA 101 1HB ALA 101 -5.554 -8.776 -9.342 778 HB2 ALA 101 2HB ALA 101 -7.221 -9.069 -9.835 779 HB3 ALA 101 3HB ALA 101 -5.956 -10.211 -10.284 780 H ASN 102 H ASN 102 -4.697 -9.268 -6.797 781 HA ASN 102 HA ASN 102 -2.790 -11.373 -7.443 782 HB2 ASN 102 1HB ASN 102 -2.451 -8.842 -5.847 783 HB3 ASN 102 2HB ASN 102 -1.156 -9.989 -6.174 784 HD21 ASN 102 1HD2 ASN 102 -3.086 -7.468 -7.378 785 HD22 ASN 102 2HD2 ASN 102 -2.343 -7.322 -8.939 786 H ALA 103 H ALA 103 -3.907 -9.933 -4.382 787 HA ALA 103 HA ALA 103 -2.809 -11.569 -2.533 788 HB1 ALA 103 1HB ALA 103 -4.571 -11.044 -1.047 789 HB2 ALA 103 2HB ALA 103 -5.711 -10.815 -2.371 790 HB3 ALA 103 3HB ALA 103 -4.406 -9.656 -2.127 Start of MODEL 5 1 H1 MET 1 1H MET 1 -9.812 -1.646 10.537 2 H2 MET 1 2H MET 1 -8.774 -2.918 10.128 3 H3 MET 1 3H MET 1 -9.108 -1.705 8.999 4 HA MET 1 HA MET 1 -7.984 -0.079 10.299 5 HB2 MET 1 1HB MET 1 -7.653 -2.365 12.239 6 HB3 MET 1 2HB MET 1 -6.633 -0.936 12.286 7 HG2 MET 1 1HG MET 1 -8.379 -0.712 13.904 8 HG3 MET 1 2HG MET 1 -8.637 0.454 12.609 9 HE1 MET 1 3HE MET 1 -9.414 -3.432 12.634 10 HE2 MET 1 1HE MET 1 -11.092 -3.412 13.176 11 HE3 MET 1 2HE MET 1 -9.808 -2.883 14.262 12 H VAL 2 H VAL 2 -6.025 0.372 9.512 13 HA VAL 2 HA VAL 2 -4.329 -1.885 8.701 14 HB VAL 2 HB VAL 2 -4.489 -1.233 6.590 15 HG11 VAL 2 1HG1 VAL 2 -5.820 1.310 7.500 16 HG12 VAL 2 2HG1 VAL 2 -6.622 -0.191 7.041 17 HG13 VAL 2 3HG1 VAL 2 -5.730 0.737 5.831 18 HG21 VAL 2 3HG2 VAL 2 -3.494 1.518 6.957 19 HG22 VAL 2 1HG2 VAL 2 -2.945 0.243 5.868 20 HG23 VAL 2 2HG2 VAL 2 -2.471 0.220 7.566 21 H THR 3 H THR 3 -2.214 -1.780 9.119 22 HA THR 3 HA THR 3 -1.332 0.063 11.142 23 HB THR 3 HB THR 3 -0.493 -2.502 10.066 24 HG1 THR 3 1HG THR 3 -1.174 -2.159 12.210 25 HG21 THR 3 3HG2 THR 3 1.887 -2.317 10.399 26 HG22 THR 3 1HG2 THR 3 1.730 -0.615 10.844 27 HG23 THR 3 2HG2 THR 3 1.383 -1.127 9.186 28 H GLN 4 H GLN 4 0.284 1.524 11.047 29 HA GLN 4 HA GLN 4 1.298 2.249 8.385 30 HB2 GLN 4 1HB GLN 4 1.821 4.477 9.623 31 HB3 GLN 4 2HB GLN 4 0.174 4.153 9.107 32 HG2 GLN 4 1HG GLN 4 -0.483 4.549 11.176 33 HG3 GLN 4 2HG GLN 4 0.349 3.076 11.671 34 HE21 GLN 4 1HE2 GLN 4 3.007 4.190 11.081 35 HE22 GLN 4 2HE2 GLN 4 3.335 5.324 12.342 36 H PHE 5 H PHE 5 3.337 1.666 8.069 37 HA PHE 5 HA PHE 5 5.026 0.772 10.183 38 HB2 PHE 5 1HB PHE 5 5.598 1.363 7.280 39 HB3 PHE 5 2HB PHE 5 6.818 0.767 8.392 40 HD1 PHE 5 2HD PHE 5 5.116 -1.188 9.926 41 HD2 PHE 5 1HD PHE 5 5.461 -0.394 5.760 42 HE1 PHE 5 2HE PHE 5 4.449 -3.502 9.434 43 HE2 PHE 5 1HE PHE 5 4.797 -2.709 5.258 44 HZ PHE 5 HZ PHE 5 4.290 -4.264 7.102 45 H LYS 6 H LYS 6 7.210 1.640 10.550 46 HA LYS 6 HA LYS 6 7.123 4.578 10.638 47 HB2 LYS 6 1HB LYS 6 8.519 4.359 12.702 48 HB3 LYS 6 2HB LYS 6 6.897 3.694 12.851 49 HG2 LYS 6 1HG LYS 6 7.826 1.447 12.420 50 HG3 LYS 6 2HG LYS 6 9.443 2.149 12.409 51 HD2 LYS 6 1HD LYS 6 7.521 2.275 14.731 52 HD3 LYS 6 2HD LYS 6 8.839 1.115 14.576 53 HE2 LYS 6 1HE LYS 6 10.421 3.034 14.451 54 HE3 LYS 6 2HE LYS 6 9.068 4.112 14.786 55 HZ1 LYS 6 3HZ LYS 6 8.725 2.940 16.883 56 HZ2 LYS 6 1HZ LYS 6 10.275 3.612 16.798 57 HZ3 LYS 6 2HZ LYS 6 10.056 1.952 16.563 58 H THR 7 H THR 7 8.877 1.837 9.585 59 HA THR 7 HA THR 7 11.004 3.572 8.611 60 HB THR 7 HB THR 7 12.666 1.748 9.037 61 HG1 THR 7 1HG THR 7 12.050 0.314 10.794 62 HG21 THR 7 3HG2 THR 7 13.028 2.346 11.393 63 HG22 THR 7 1HG2 THR 7 11.411 3.047 11.454 64 HG23 THR 7 2HG2 THR 7 12.642 3.758 10.410 65 H ALA 8 H ALA 8 12.060 2.872 6.725 66 HA ALA 8 HA ALA 8 10.584 1.406 4.835 67 HB1 ALA 8 1HB ALA 8 13.579 1.828 4.942 68 HB2 ALA 8 2HB ALA 8 12.417 2.959 4.255 69 HB3 ALA 8 3HB ALA 8 12.640 1.370 3.523 70 H SER 9 H SER 9 13.033 0.531 7.206 71 HA SER 9 HA SER 9 13.498 -2.126 6.542 72 HB2 SER 9 1HB SER 9 13.359 -0.921 9.315 73 HB3 SER 9 2HB SER 9 14.193 -2.410 8.868 74 HG SER 9 HG SER 9 15.265 -0.821 7.269 75 H GLU 10 H GLU 10 10.843 -0.671 8.407 76 HA GLU 10 HA GLU 10 9.636 -3.115 9.199 77 HB2 GLU 10 1HB GLU 10 8.480 -0.373 8.697 78 HB3 GLU 10 2HB GLU 10 7.510 -1.717 9.276 79 HG2 GLU 10 1HG GLU 10 9.906 -0.562 10.677 80 HG3 GLU 10 2HG GLU 10 8.222 -0.229 11.076 81 H PHE 11 H PHE 11 9.229 -1.062 6.377 82 HA PHE 11 HA PHE 11 7.166 -2.553 5.152 83 HB2 PHE 11 1HB PHE 11 7.249 -0.409 4.362 84 HB3 PHE 11 2HB PHE 11 9.006 -0.346 4.376 85 HD1 PHE 11 1HD PHE 11 10.290 -1.148 2.493 86 HD2 PHE 11 2HD PHE 11 6.040 -1.220 2.437 87 HE1 PHE 11 1HE PHE 11 10.326 -1.488 0.053 88 HE2 PHE 11 2HE PHE 11 6.067 -1.560 0.003 89 HZ PHE 11 HZ PHE 11 8.214 -1.694 -1.194 90 H ASP 12 H ASP 12 10.681 -2.468 4.562 91 HA ASP 12 HA ASP 12 10.730 -4.216 2.402 92 HB2 ASP 12 1HB ASP 12 12.759 -3.412 4.456 93 HB3 ASP 12 2HB ASP 12 13.140 -4.644 3.270 94 H SER 13 H SER 13 10.884 -4.875 5.863 95 HA SER 13 HA SER 13 11.414 -7.647 5.577 96 HB2 SER 13 1HB SER 13 10.170 -6.168 7.910 97 HB3 SER 13 2HB SER 13 10.846 -7.796 7.964 98 HG SER 13 HG SER 13 12.187 -5.331 7.587 99 H ALA 14 H ALA 14 8.456 -5.754 5.833 100 HA ALA 14 HA ALA 14 6.700 -7.950 6.121 101 HB1 ALA 14 1HB ALA 14 6.172 -5.213 4.973 102 HB2 ALA 14 2HB ALA 14 5.998 -5.686 6.664 103 HB3 ALA 14 3HB ALA 14 4.938 -6.383 5.437 104 H ILE 15 H ILE 15 7.742 -6.091 3.279 105 HA ILE 15 HA ILE 15 6.081 -7.494 1.481 106 HB ILE 15 HB ILE 15 7.396 -6.464 -0.304 107 HG12 ILE 15 1HG1 ILE 15 9.108 -5.220 1.838 108 HG13 ILE 15 2HG1 ILE 15 9.588 -6.688 0.999 109 HG21 ILE 15 1HG2 ILE 15 5.625 -5.197 0.813 110 HG22 ILE 15 2HG2 ILE 15 6.927 -4.140 0.269 111 HG23 ILE 15 3HG2 ILE 15 6.799 -4.578 1.973 112 HD11 ILE 15 3HD1 ILE 15 9.055 -4.012 -0.266 113 HD12 ILE 15 1HD1 ILE 15 9.509 -5.482 -1.128 114 HD13 ILE 15 2HD1 ILE 15 10.635 -4.744 0.012 115 H ALA 16 H ALA 16 9.193 -8.231 2.845 116 HA ALA 16 HA ALA 16 10.007 -10.044 0.761 117 HB1 ALA 16 1HB ALA 16 11.010 -9.841 3.593 118 HB2 ALA 16 2HB ALA 16 11.615 -8.891 2.235 119 HB3 ALA 16 3HB ALA 16 11.815 -10.643 2.247 120 H GLN 17 H GLN 17 7.643 -10.270 3.046 121 HA GLN 17 HA GLN 17 8.036 -12.992 3.839 122 HB2 GLN 17 1HB GLN 17 5.621 -11.181 4.029 123 HB3 GLN 17 2HB GLN 17 5.724 -12.779 4.755 124 HG2 GLN 17 1HG GLN 17 7.440 -12.092 6.239 125 HG3 GLN 17 2HG GLN 17 7.650 -10.563 5.387 126 HE21 GLN 17 1HE2 GLN 17 4.531 -11.971 6.117 127 HE22 GLN 17 2HE2 GLN 17 4.053 -10.769 7.264 128 H ASP 18 H ASP 18 6.562 -14.719 3.315 129 HA ASP 18 HA ASP 18 6.321 -15.112 0.521 130 HB2 ASP 18 1HB ASP 18 6.773 -16.951 2.040 131 HB3 ASP 18 2HB ASP 18 5.255 -16.682 2.882 132 H LYS 19 H LYS 19 4.456 -13.167 2.295 133 HA LYS 19 HA LYS 19 1.879 -14.125 1.235 134 HB2 LYS 19 1HB LYS 19 0.836 -13.612 3.198 135 HB3 LYS 19 2HB LYS 19 2.372 -14.233 3.755 136 HG2 LYS 19 1HG LYS 19 3.157 -12.136 4.372 137 HG3 LYS 19 2HG LYS 19 1.967 -11.293 3.374 138 HD2 LYS 19 1HD LYS 19 1.349 -12.920 5.836 139 HD3 LYS 19 2HD LYS 19 1.423 -11.157 5.766 140 HE2 LYS 19 1HE LYS 19 -0.439 -11.056 4.291 141 HE3 LYS 19 2HE LYS 19 -0.420 -12.799 4.035 142 HZ1 LYS 19 3HZ LYS 19 -1.120 -11.362 6.541 143 HZ2 LYS 19 1HZ LYS 19 -0.964 -13.050 6.420 144 HZ3 LYS 19 2HZ LYS 19 -2.166 -12.251 5.541 145 H LEU 20 H LEU 20 0.205 -12.332 1.333 146 HA LEU 20 HA LEU 20 1.021 -10.263 -0.453 147 HB2 LEU 20 1HB LEU 20 -1.239 -11.553 -0.225 148 HB3 LEU 20 2HB LEU 20 -1.600 -10.368 1.005 149 HG LEU 20 HG LEU 20 -2.632 -9.739 -1.079 150 HD11 LEU 20 1HD1 LEU 20 -0.312 -7.913 -0.522 151 HD12 LEU 20 2HD1 LEU 20 -1.820 -7.954 0.388 152 HD13 LEU 20 3HD1 LEU 20 -1.833 -7.486 -1.311 153 HD21 LEU 20 3HD2 LEU 20 -1.402 -9.250 -3.080 154 HD22 LEU 20 1HD2 LEU 20 -1.058 -10.905 -2.579 155 HD23 LEU 20 2HD2 LEU 20 0.125 -9.630 -2.278 156 H VAL 21 H VAL 21 2.144 -8.543 0.293 157 HA VAL 21 HA VAL 21 0.968 -7.123 2.594 158 HB VAL 21 HB VAL 21 3.876 -7.184 1.749 159 HG11 VAL 21 1HG1 VAL 21 4.305 -5.549 3.496 160 HG12 VAL 21 2HG1 VAL 21 2.589 -5.494 3.898 161 HG13 VAL 21 3HG1 VAL 21 3.146 -4.887 2.335 162 HG21 VAL 21 3HG2 VAL 21 4.232 -8.023 4.025 163 HG22 VAL 21 1HG2 VAL 21 3.151 -9.078 3.113 164 HG23 VAL 21 2HG2 VAL 21 2.493 -7.970 4.318 165 H VAL 22 H VAL 22 -0.265 -5.567 1.741 166 HA VAL 22 HA VAL 22 0.865 -3.994 -0.443 167 HB VAL 22 HB VAL 22 -1.154 -4.517 -1.282 168 HG11 VAL 22 1HG1 VAL 22 -2.400 -4.412 1.447 169 HG12 VAL 22 2HG1 VAL 22 -1.815 -5.866 0.640 170 HG13 VAL 22 3HG1 VAL 22 -3.163 -4.962 -0.047 171 HG21 VAL 22 3HG2 VAL 22 -2.765 -2.696 -1.002 172 HG22 VAL 22 1HG2 VAL 22 -1.116 -2.090 -1.161 173 HG23 VAL 22 2HG2 VAL 22 -1.887 -2.144 0.424 174 H VAL 23 H VAL 23 1.984 -2.390 0.202 175 HA VAL 23 HA VAL 23 1.114 -0.763 2.491 176 HB VAL 23 HB VAL 23 3.768 -0.870 1.037 177 HG11 VAL 23 1HG1 VAL 23 2.981 0.631 3.523 178 HG12 VAL 23 2HG1 VAL 23 3.330 1.344 1.948 179 HG13 VAL 23 3HG1 VAL 23 4.608 0.528 2.850 180 HG21 VAL 23 3HG2 VAL 23 4.521 -1.812 3.271 181 HG22 VAL 23 1HG2 VAL 23 3.535 -2.870 2.263 182 HG23 VAL 23 2HG2 VAL 23 2.815 -2.036 3.634 183 H ALA 24 H ALA 24 0.690 1.458 2.234 184 HA ALA 24 HA ALA 24 0.956 2.541 -0.481 185 HB1 ALA 24 1HB ALA 24 -1.432 1.860 0.228 186 HB2 ALA 24 2HB ALA 24 -1.164 3.409 -0.566 187 HB3 ALA 24 3HB ALA 24 -1.364 3.343 1.179 188 H PHE 25 H PHE 25 1.612 4.531 -0.740 189 HA PHE 25 HA PHE 25 2.659 5.838 1.621 190 HB2 PHE 25 1HB PHE 25 3.013 6.306 -1.329 191 HB3 PHE 25 2HB PHE 25 3.749 7.332 -0.094 192 HD1 PHE 25 1HD PHE 25 5.096 6.042 1.747 193 HD2 PHE 25 2HD PHE 25 4.192 4.495 -2.105 194 HE1 PHE 25 1HE PHE 25 6.934 4.427 1.966 195 HE2 PHE 25 2HE PHE 25 6.034 2.881 -1.901 196 HZ PHE 25 HZ PHE 25 7.403 2.846 0.138 197 H TYR 26 H TYR 26 1.833 7.505 2.564 198 HA TYR 26 HA TYR 26 -0.440 8.945 1.339 199 HB2 TYR 26 1HB TYR 26 0.023 7.980 4.161 200 HB3 TYR 26 2HB TYR 26 -1.067 9.314 3.832 201 HD1 TYR 26 2HD TYR 26 -0.860 6.470 1.512 202 HD2 TYR 26 1HD TYR 26 -2.897 8.157 4.842 203 HE1 TYR 26 2HE TYR 26 -2.693 4.862 1.207 204 HE2 TYR 26 1HE TYR 26 -4.728 6.553 4.547 205 HH TYR 26 HH TYR 26 -5.677 5.160 2.739 206 H ALA 27 H ALA 27 -0.799 10.950 2.992 207 HA ALA 27 HA ALA 27 1.501 12.061 4.205 208 HB1 ALA 27 1HB ALA 27 1.769 14.029 2.751 209 HB2 ALA 27 2HB ALA 27 0.603 13.345 1.617 210 HB3 ALA 27 3HB ALA 27 2.145 12.535 1.892 211 H THR 28 H THR 28 0.989 14.222 5.103 212 HA THR 28 HA THR 28 -1.771 14.324 5.930 213 HB THR 28 HB THR 28 -0.840 16.351 7.265 214 HG1 THR 28 1HG THR 28 1.370 16.451 7.399 215 HG21 THR 28 3HG2 THR 28 -1.388 14.170 8.255 216 HG22 THR 28 1HG2 THR 28 0.070 14.852 8.974 217 HG23 THR 28 2HG2 THR 28 0.198 13.559 7.783 218 H TRP 29 H TRP 29 -0.144 15.499 3.324 219 HA TRP 29 HA TRP 29 -1.876 17.860 3.132 220 HB2 TRP 29 1HB TRP 29 0.053 18.669 1.538 221 HB3 TRP 29 2HB TRP 29 0.158 18.895 3.279 222 HD1 TRP 29 HD TRP 29 2.056 17.688 4.549 223 HE1 TRP 29 1HE TRP 29 4.107 16.307 3.829 224 HE3 TRP 29 3HE TRP 29 0.803 16.887 -0.338 225 HZ2 TRP 29 2HZ TRP 29 5.055 15.038 1.495 226 HZ3 TRP 29 3HZ TRP 29 2.335 15.577 -1.747 227 HH2 TRP 29 HH TRP 29 4.416 14.671 -0.848 228 H CYS 30 H CYS 30 -2.530 15.209 2.161 229 HA CYS 30 HA CYS 30 -2.781 15.943 -0.662 230 HB2 CYS 30 1HB CYS 30 -2.751 13.414 -1.152 231 HB3 CYS 30 2HB CYS 30 -1.223 14.249 -0.904 232 H GLY 31 H GLY 31 -4.651 15.538 -1.650 233 HA2 GLY 31 1HA GLY 31 -6.950 15.014 0.008 234 HA3 GLY 31 2HA GLY 31 -6.961 15.468 -1.686 235 HA PRO 32 HA PRO 32 -7.347 11.296 -3.179 236 HB2 PRO 32 1HB PRO 32 -4.444 10.711 -3.446 237 HB3 PRO 32 2HB PRO 32 -5.740 10.546 -4.634 238 HG2 PRO 32 1HG PRO 32 -4.019 12.542 -4.822 239 HG3 PRO 32 2HG PRO 32 -5.743 12.815 -5.134 240 HD2 PRO 32 1HD PRO 32 -4.130 13.471 -2.696 241 HD3 PRO 32 2HD PRO 32 -5.383 14.433 -3.499 242 H CYS 33 H CYS 33 -4.371 11.232 -1.237 243 HA CYS 33 HA CYS 33 -4.582 8.672 -0.163 244 HB2 CYS 33 1HB CYS 33 -3.114 9.497 1.625 245 HB3 CYS 33 2HB CYS 33 -2.585 10.103 0.057 246 H LYS 34 H LYS 34 -6.169 11.635 0.762 247 HA LYS 34 HA LYS 34 -7.064 10.749 3.291 248 HB2 LYS 34 1HB LYS 34 -6.856 13.127 2.583 249 HB3 LYS 34 2HB LYS 34 -8.238 12.899 1.525 250 HG2 LYS 34 1HG LYS 34 -9.654 12.432 3.429 251 HG3 LYS 34 2HG LYS 34 -8.274 12.578 4.516 252 HD2 LYS 34 1HD LYS 34 -9.089 14.827 2.704 253 HD3 LYS 34 2HD LYS 34 -9.857 14.591 4.270 254 HE2 LYS 34 1HE LYS 34 -8.131 16.172 4.602 255 HE3 LYS 34 2HE LYS 34 -7.555 14.658 5.288 256 HZ1 LYS 34 3HZ LYS 34 -6.831 15.604 2.572 257 HZ2 LYS 34 1HZ LYS 34 -6.137 14.323 3.428 258 HZ3 LYS 34 2HZ LYS 34 -5.897 15.912 3.943 259 H MET 35 H MET 35 -8.586 10.794 0.066 260 HA MET 35 HA MET 35 -11.118 9.909 1.049 261 HB2 MET 35 1HB MET 35 -11.759 9.683 -1.286 262 HB3 MET 35 2HB MET 35 -10.989 11.232 -0.987 263 HG2 MET 35 1HG MET 35 -8.937 10.408 -1.990 264 HG3 MET 35 2HG MET 35 -9.681 8.826 -2.221 265 HE1 MET 35 3HE MET 35 -9.212 8.683 -4.761 266 HE2 MET 35 1HE MET 35 -8.304 10.190 -4.648 267 HE3 MET 35 2HE MET 35 -9.523 9.988 -5.905 268 H ILE 36 H ILE 36 -8.437 8.223 -0.577 269 HA ILE 36 HA ILE 36 -9.874 5.751 -0.513 270 HB ILE 36 HB ILE 36 -8.354 5.084 -1.967 271 HG12 ILE 36 1HG1 ILE 36 -7.272 4.327 0.333 272 HG13 ILE 36 2HG1 ILE 36 -6.503 4.005 -1.199 273 HG21 ILE 36 1HG2 ILE 36 -6.683 7.474 -1.244 274 HG22 ILE 36 2HG2 ILE 36 -7.908 7.385 -2.510 275 HG23 ILE 36 3HG2 ILE 36 -6.432 6.429 -2.643 276 HD11 ILE 36 3HD1 ILE 36 -4.928 4.779 0.508 277 HD12 ILE 36 1HD1 ILE 36 -5.844 6.291 0.647 278 HD13 ILE 36 2HD1 ILE 36 -5.015 5.900 -0.865 279 H ALA 37 H ALA 37 -8.114 7.553 1.761 280 HA ALA 37 HA ALA 37 -7.095 5.548 3.390 281 HB1 ALA 37 1HB ALA 37 -6.570 7.944 3.547 282 HB2 ALA 37 2HB ALA 37 -6.941 7.191 5.111 283 HB3 ALA 37 3HB ALA 37 -8.146 8.206 4.312 284 HA PRO 38 HA PRO 38 -11.331 5.104 5.605 285 HB2 PRO 38 1HB PRO 38 -13.536 6.057 4.317 286 HB3 PRO 38 2HB PRO 38 -12.697 6.937 5.600 287 HG2 PRO 38 1HG PRO 38 -12.501 7.257 2.640 288 HG3 PRO 38 2HG PRO 38 -12.557 8.502 3.902 289 HD2 PRO 38 1HD PRO 38 -10.253 7.755 2.710 290 HD3 PRO 38 2HD PRO 38 -10.322 8.271 4.404 291 H MET 39 H MET 39 -11.191 5.205 2.035 292 HA MET 39 HA MET 39 -12.906 2.956 1.704 293 HB2 MET 39 1HB MET 39 -10.803 4.104 -0.114 294 HB3 MET 39 2HB MET 39 -11.843 2.766 -0.571 295 HG2 MET 39 1HG MET 39 -12.743 5.537 0.186 296 HG3 MET 39 2HG MET 39 -12.695 4.862 -1.442 297 HE1 MET 39 3HE MET 39 -16.546 5.147 -0.561 298 HE2 MET 39 1HE MET 39 -15.279 5.658 -1.676 299 HE3 MET 39 2HE MET 39 -15.267 6.227 -0.007 300 H ILE 40 H ILE 40 -9.311 3.093 1.590 301 HA ILE 40 HA ILE 40 -8.875 0.346 1.555 302 HB ILE 40 HB ILE 40 -7.246 2.689 2.124 303 HG12 ILE 40 1HG1 ILE 40 -5.463 1.036 1.298 304 HG13 ILE 40 2HG1 ILE 40 -6.793 -0.092 1.082 305 HG21 ILE 40 1HG2 ILE 40 -7.148 1.763 4.395 306 HG22 ILE 40 2HG2 ILE 40 -5.589 1.722 3.574 307 HG23 ILE 40 3HG2 ILE 40 -6.541 0.246 3.731 308 HD11 ILE 40 3HD1 ILE 40 -7.856 1.723 -0.370 309 HD12 ILE 40 1HD1 ILE 40 -6.448 0.867 -1.009 310 HD13 ILE 40 2HD1 ILE 40 -6.258 2.474 -0.326 311 H GLU 41 H GLU 41 -9.664 2.477 4.243 312 HA GLU 41 HA GLU 41 -9.257 0.771 6.395 313 HB2 GLU 41 1HB GLU 41 -9.865 3.151 6.593 314 HB3 GLU 41 2HB GLU 41 -11.479 2.788 6.005 315 HG2 GLU 41 1HG GLU 41 -11.481 3.069 8.402 316 HG3 GLU 41 2HG GLU 41 -11.889 1.409 7.974 317 H LYS 42 H LYS 42 -12.188 1.154 4.390 318 HA LYS 42 HA LYS 42 -13.673 -0.860 5.662 319 HB2 LYS 42 1HB LYS 42 -14.774 0.716 4.214 320 HB3 LYS 42 2HB LYS 42 -13.779 0.228 2.848 321 HG2 LYS 42 1HG LYS 42 -14.868 -2.123 3.333 322 HG3 LYS 42 2HG LYS 42 -16.124 -1.125 4.074 323 HD2 LYS 42 1HD LYS 42 -15.071 -0.817 1.271 324 HD3 LYS 42 2HD LYS 42 -16.580 -1.621 1.702 325 HE2 LYS 42 1HE LYS 42 -15.925 1.270 2.265 326 HE3 LYS 42 2HE LYS 42 -16.916 0.701 0.923 327 HZ1 LYS 42 3HZ LYS 42 -18.227 1.463 2.832 328 HZ2 LYS 42 1HZ LYS 42 -17.542 0.250 3.789 329 HZ3 LYS 42 2HZ LYS 42 -18.514 -0.161 2.469 330 H PHE 43 H PHE 43 -11.629 -0.951 2.803 331 HA PHE 43 HA PHE 43 -12.031 -3.629 2.179 332 HB2 PHE 43 1HB PHE 43 -9.767 -1.757 1.523 333 HB3 PHE 43 2HB PHE 43 -9.902 -3.383 0.859 334 HD1 PHE 43 2HD PHE 43 -13.140 -2.209 1.277 335 HD2 PHE 43 1HD PHE 43 -9.733 -1.705 -1.224 336 HE1 PHE 43 2HE PHE 43 -14.585 -1.341 -0.520 337 HE2 PHE 43 1HE PHE 43 -11.178 -0.834 -3.015 338 HZ PHE 43 HZ PHE 43 -13.604 -0.651 -2.661 339 H SER 44 H SER 44 -10.178 -2.145 4.641 340 HA SER 44 HA SER 44 -8.299 -4.336 4.888 341 HB2 SER 44 1HB SER 44 -7.237 -3.070 6.598 342 HB3 SER 44 2HB SER 44 -7.780 -1.879 5.409 343 HG SER 44 HG SER 44 -9.614 -1.505 6.769 344 H GLU 45 H GLU 45 -11.364 -3.411 6.004 345 HA GLU 45 HA GLU 45 -11.437 -5.246 8.231 346 HB2 GLU 45 1HB GLU 45 -13.620 -3.803 6.714 347 HB3 GLU 45 2HB GLU 45 -13.916 -4.837 8.104 348 HG2 GLU 45 1HG GLU 45 -12.215 -2.355 8.113 349 HG3 GLU 45 2HG GLU 45 -13.874 -2.467 8.703 350 H GLN 46 H GLN 46 -12.101 -5.245 4.831 351 HA GLN 46 HA GLN 46 -12.900 -8.054 4.936 352 HB2 GLN 46 1HB GLN 46 -13.035 -7.421 2.297 353 HB3 GLN 46 2HB GLN 46 -14.375 -7.278 3.423 354 HG2 GLN 46 1HG GLN 46 -14.210 -4.996 3.548 355 HG3 GLN 46 2HG GLN 46 -12.512 -4.971 3.080 356 HE21 GLN 46 1HE2 GLN 46 -15.796 -5.096 1.994 357 HE22 GLN 46 2HE2 GLN 46 -15.478 -4.830 0.317 358 H TYR 47 H TYR 47 -10.156 -6.936 5.324 359 HA TYR 47 HA TYR 47 -8.715 -8.491 3.289 360 HB2 TYR 47 1HB TYR 47 -8.017 -6.296 5.084 361 HB3 TYR 47 2HB TYR 47 -6.840 -7.601 5.137 362 HD1 TYR 47 1HD TYR 47 -8.836 -6.034 2.408 363 HD2 TYR 47 2HD TYR 47 -4.986 -7.082 3.872 364 HE1 TYR 47 1HE TYR 47 -7.821 -5.201 0.335 365 HE2 TYR 47 2HE TYR 47 -3.965 -6.259 1.802 366 HH TYR 47 HH TYR 47 -4.697 -5.899 -0.590 367 HA PRO 48 HA PRO 48 -8.918 -11.580 6.661 368 HB2 PRO 48 1HB PRO 48 -9.498 -13.734 5.172 369 HB3 PRO 48 2HB PRO 48 -10.728 -12.550 5.628 370 HG2 PRO 48 1HG PRO 48 -9.337 -12.935 3.025 371 HG3 PRO 48 2HG PRO 48 -11.006 -12.436 3.344 372 HD2 PRO 48 1HD PRO 48 -8.881 -10.739 2.699 373 HD3 PRO 48 2HD PRO 48 -10.431 -10.241 3.396 374 H GLN 49 H GLN 49 -7.332 -12.203 3.493 375 HA GLN 49 HA GLN 49 -5.459 -13.976 4.836 376 HB2 GLN 49 1HB GLN 49 -6.666 -14.785 2.874 377 HB3 GLN 49 2HB GLN 49 -5.987 -13.481 1.912 378 HG2 GLN 49 1HG GLN 49 -3.720 -14.428 2.518 379 HG3 GLN 49 2HG GLN 49 -4.606 -15.830 3.110 380 HE21 GLN 49 1HE2 GLN 49 -3.687 -13.991 0.327 381 HE22 GLN 49 2HE2 GLN 49 -4.155 -15.155 -0.862 382 H ALA 50 H ALA 50 -5.630 -10.886 3.398 383 HA ALA 50 HA ALA 50 -2.742 -10.783 2.967 384 HB1 ALA 50 1HB ALA 50 -4.921 -8.957 1.962 385 HB2 ALA 50 2HB ALA 50 -4.143 -10.246 1.042 386 HB3 ALA 50 3HB ALA 50 -3.207 -8.845 1.564 387 H ASP 51 H ASP 51 -1.721 -8.713 3.465 388 HA ASP 51 HA ASP 51 -2.766 -7.583 5.970 389 HB2 ASP 51 1HB ASP 51 -0.043 -8.340 5.090 390 HB3 ASP 51 2HB ASP 51 -0.168 -6.856 6.029 391 H PHE 52 H PHE 52 -3.234 -5.499 6.059 392 HA PHE 52 HA PHE 52 -2.661 -3.890 3.680 393 HB2 PHE 52 1HB PHE 52 -5.027 -4.381 5.093 394 HB3 PHE 52 2HB PHE 52 -4.581 -2.734 5.508 395 HD1 PHE 52 2HD PHE 52 -3.225 -2.817 2.416 396 HD2 PHE 52 1HD PHE 52 -7.028 -3.138 4.265 397 HE1 PHE 52 2HE PHE 52 -4.298 -2.063 0.338 398 HE2 PHE 52 1HE PHE 52 -8.107 -2.375 2.226 399 HZ PHE 52 HZ PHE 52 -6.748 -1.843 0.231 400 H TYR 53 H TYR 53 -1.107 -2.347 3.918 401 HA TYR 53 HA TYR 53 -1.015 -0.953 6.513 402 HB2 TYR 53 1HB TYR 53 1.444 -1.584 4.873 403 HB3 TYR 53 2HB TYR 53 1.383 -0.878 6.488 404 HD1 TYR 53 1HD TYR 53 -0.041 -2.455 8.188 405 HD2 TYR 53 2HD TYR 53 2.152 -3.779 4.804 406 HE1 TYR 53 1HE TYR 53 0.181 -4.676 9.215 407 HE2 TYR 53 2HE TYR 53 2.378 -6.010 5.818 408 HH TYR 53 HH TYR 53 0.543 -7.080 8.348 409 H LYS 54 H LYS 54 -0.677 1.249 6.430 410 HA LYS 54 HA LYS 54 -0.291 2.449 3.751 411 HB2 LYS 54 1HB LYS 54 -2.098 3.626 5.878 412 HB3 LYS 54 2HB LYS 54 -1.827 4.268 4.271 413 HG2 LYS 54 1HG LYS 54 -3.300 1.728 4.958 414 HG3 LYS 54 2HG LYS 54 -4.018 3.249 4.457 415 HD2 LYS 54 1HD LYS 54 -3.827 2.688 2.300 416 HD3 LYS 54 2HD LYS 54 -2.078 2.408 2.525 417 HE2 LYS 54 1HE LYS 54 -2.803 0.177 3.606 418 HE3 LYS 54 2HE LYS 54 -4.337 0.464 2.796 419 HZ1 LYS 54 3HZ LYS 54 -3.114 0.620 0.695 420 HZ2 LYS 54 1HZ LYS 54 -2.932 -0.892 1.430 421 HZ3 LYS 54 2HZ LYS 54 -1.679 0.240 1.504 422 H LEU 55 H LEU 55 1.545 3.676 3.757 423 HA LEU 55 HA LEU 55 2.557 4.539 6.392 424 HB2 LEU 55 1HB LEU 55 4.077 4.692 3.826 425 HB3 LEU 55 2HB LEU 55 4.686 4.723 5.468 426 HG LEU 55 HG LEU 55 3.717 2.396 3.890 427 HD11 LEU 55 1HD1 LEU 55 6.083 2.785 5.667 428 HD12 LEU 55 2HD1 LEU 55 6.088 3.119 3.936 429 HD13 LEU 55 3HD1 LEU 55 5.816 1.474 4.515 430 HD21 LEU 55 3HD2 LEU 55 2.492 2.228 5.957 431 HD22 LEU 55 1HD2 LEU 55 3.964 2.536 6.878 432 HD23 LEU 55 2HD2 LEU 55 3.804 1.048 5.945 433 H ASP 56 H ASP 56 3.652 6.707 6.467 434 HA ASP 56 HA ASP 56 2.373 8.624 4.653 435 HB2 ASP 56 1HB ASP 56 2.992 10.356 6.218 436 HB3 ASP 56 2HB ASP 56 2.097 9.111 7.066 437 H VAL 57 H VAL 57 3.507 9.370 3.052 438 HA VAL 57 HA VAL 57 6.057 8.366 2.459 439 HB VAL 57 HB VAL 57 4.020 9.453 1.056 440 HG11 VAL 57 1HG1 VAL 57 4.579 11.749 1.683 441 HG12 VAL 57 2HG1 VAL 57 4.738 11.488 -0.055 442 HG13 VAL 57 3HG1 VAL 57 6.177 11.553 0.962 443 HG21 VAL 57 3HG2 VAL 57 5.635 7.913 0.211 444 HG22 VAL 57 1HG2 VAL 57 6.870 9.172 0.164 445 HG23 VAL 57 2HG2 VAL 57 5.468 9.273 -0.902 446 H ASP 58 H ASP 58 5.096 10.997 4.360 447 HA ASP 58 HA ASP 58 7.229 12.788 3.848 448 HB2 ASP 58 1HB ASP 58 5.167 13.575 4.838 449 HB3 ASP 58 2HB ASP 58 5.395 12.521 6.231 450 H GLU 59 H GLU 59 6.645 10.489 6.549 451 HA GLU 59 HA GLU 59 9.410 10.746 7.380 452 HB2 GLU 59 1HB GLU 59 7.175 8.945 8.302 453 HB3 GLU 59 2HB GLU 59 8.812 8.831 8.932 454 HG2 GLU 59 1HG GLU 59 8.625 11.233 9.604 455 HG3 GLU 59 2HG GLU 59 6.919 11.150 9.160 456 H LEU 60 H LEU 60 7.507 8.633 5.387 457 HA LEU 60 HA LEU 60 9.703 6.723 5.197 458 HB2 LEU 60 1HB LEU 60 6.819 6.648 4.353 459 HB3 LEU 60 2HB LEU 60 7.978 5.515 3.682 460 HG LEU 60 HG LEU 60 6.840 4.445 5.483 461 HD11 LEU 60 1HD1 LEU 60 9.257 3.996 5.281 462 HD12 LEU 60 2HD1 LEU 60 8.656 3.807 6.930 463 HD13 LEU 60 3HD1 LEU 60 9.561 5.252 6.486 464 HD21 LEU 60 3HD2 LEU 60 6.839 5.297 7.771 465 HD22 LEU 60 1HD2 LEU 60 6.024 6.403 6.666 466 HD23 LEU 60 2HD2 LEU 60 7.657 6.760 7.224 467 H GLY 61 H GLY 61 10.728 8.815 4.156 468 HA2 GLY 61 1HA GLY 61 10.015 9.289 1.409 469 HA3 GLY 61 2HA GLY 61 11.382 9.979 2.268 470 H ASP 62 H ASP 62 12.706 7.688 3.075 471 HA ASP 62 HA ASP 62 14.219 7.115 0.784 472 HB2 ASP 62 1HB ASP 62 15.178 6.976 3.026 473 HB3 ASP 62 2HB ASP 62 14.111 5.635 3.418 474 H VAL 63 H VAL 63 11.798 5.160 2.493 475 HA VAL 63 HA VAL 63 12.012 2.922 0.780 476 HB VAL 63 HB VAL 63 10.946 2.620 2.917 477 HG11 VAL 63 1HG1 VAL 63 8.806 3.573 3.467 478 HG12 VAL 63 2HG1 VAL 63 8.850 4.532 1.981 479 HG13 VAL 63 3HG1 VAL 63 10.040 4.812 3.252 480 HG21 VAL 63 3HG2 VAL 63 10.165 1.087 1.306 481 HG22 VAL 63 1HG2 VAL 63 9.102 2.297 0.587 482 HG23 VAL 63 2HG2 VAL 63 8.744 1.651 2.188 483 H ALA 64 H ALA 64 9.975 5.810 0.690 484 HA ALA 64 HA ALA 64 8.433 5.174 -1.538 485 HB1 ALA 64 1HB ALA 64 9.507 7.878 -0.745 486 HB2 ALA 64 2HB ALA 64 8.030 7.132 -0.135 487 HB3 ALA 64 3HB ALA 64 8.153 7.580 -1.835 488 H GLN 65 H GLN 65 11.733 6.373 -1.312 489 HA GLN 65 HA GLN 65 11.982 6.913 -4.115 490 HB2 GLN 65 1HB GLN 65 14.093 6.617 -1.966 491 HB3 GLN 65 2HB GLN 65 14.383 7.221 -3.595 492 HG2 GLN 65 1HG GLN 65 12.566 8.486 -1.557 493 HG3 GLN 65 2HG GLN 65 14.201 9.010 -1.936 494 HE21 GLN 65 1HE2 GLN 65 13.918 8.553 -4.795 495 HE22 GLN 65 2HE2 GLN 65 12.904 9.821 -5.388 496 H LYS 66 H LYS 66 12.582 4.184 -2.021 497 HA LYS 66 HA LYS 66 14.070 2.567 -3.728 498 HB2 LYS 66 1HB LYS 66 11.985 1.853 -1.674 499 HB3 LYS 66 2HB LYS 66 13.063 0.699 -2.431 500 HG2 LYS 66 1HG LYS 66 14.967 2.066 -1.481 501 HG3 LYS 66 2HG LYS 66 13.735 2.897 -0.526 502 HD2 LYS 66 1HD LYS 66 13.031 0.756 0.430 503 HD3 LYS 66 2HD LYS 66 14.262 -0.074 -0.523 504 HE2 LYS 66 1HE LYS 66 15.971 1.355 0.629 505 HE3 LYS 66 2HE LYS 66 14.685 1.916 1.695 506 HZ1 LYS 66 3HZ LYS 66 15.667 -0.865 1.399 507 HZ2 LYS 66 1HZ LYS 66 14.299 -0.443 2.308 508 HZ3 LYS 66 2HZ LYS 66 15.831 0.134 2.752 509 H ASN 67 H ASN 67 10.642 3.131 -3.417 510 HA ASN 67 HA ASN 67 10.015 1.128 -5.431 511 HB2 ASN 67 1HB ASN 67 8.276 2.815 -3.624 512 HB3 ASN 67 2HB ASN 67 7.637 1.689 -4.817 513 HD21 ASN 67 1HD2 ASN 67 9.423 1.996 -1.821 514 HD22 ASN 67 2HD2 ASN 67 9.240 0.348 -1.331 515 H GLU 68 H GLU 68 11.141 4.057 -5.630 516 HA GLU 68 HA GLU 68 11.107 5.786 -7.083 517 HB2 GLU 68 1HB GLU 68 9.843 3.711 -8.881 518 HB3 GLU 68 2HB GLU 68 10.510 5.245 -9.423 519 HG2 GLU 68 1HG GLU 68 12.710 4.548 -8.513 520 HG3 GLU 68 2HG GLU 68 12.010 2.974 -8.141 521 H VAL 69 H VAL 69 9.143 5.993 -5.281 522 HA VAL 69 HA VAL 69 6.579 6.406 -6.515 523 HB VAL 69 HB VAL 69 7.606 7.160 -3.775 524 HG11 VAL 69 1HG1 VAL 69 5.765 8.624 -4.425 525 HG12 VAL 69 2HG1 VAL 69 5.261 7.499 -3.162 526 HG13 VAL 69 3HG1 VAL 69 4.782 7.217 -4.836 527 HG21 VAL 69 3HG2 VAL 69 7.515 4.759 -4.171 528 HG22 VAL 69 1HG2 VAL 69 5.834 4.898 -4.685 529 HG23 VAL 69 2HG2 VAL 69 6.277 5.254 -3.015 530 H SER 70 H SER 70 6.371 8.002 -7.901 531 HA SER 70 HA SER 70 7.423 10.650 -7.173 532 HB2 SER 70 1HB SER 70 7.036 10.923 -9.804 533 HB3 SER 70 2HB SER 70 8.529 10.247 -9.147 534 HG SER 70 HG SER 70 7.896 8.245 -9.698 535 H ALA 71 H ALA 71 4.707 8.848 -7.255 536 HA ALA 71 HA ALA 71 2.986 11.200 -7.389 537 HB1 ALA 71 1HB ALA 71 2.895 10.190 -9.627 538 HB2 ALA 71 2HB ALA 71 1.350 10.060 -8.788 539 HB3 ALA 71 3HB ALA 71 2.411 8.656 -8.907 540 H MET 72 H MET 72 1.474 11.177 -5.801 541 HA MET 72 HA MET 72 1.279 8.691 -4.243 542 HB2 MET 72 1HB MET 72 0.654 10.176 -2.320 543 HB3 MET 72 2HB MET 72 2.295 10.392 -2.904 544 HG2 MET 72 1HG MET 72 1.541 12.551 -2.524 545 HG3 MET 72 2HG MET 72 1.362 12.343 -4.263 546 HE1 MET 72 3HE MET 72 -1.667 14.620 -3.613 547 HE2 MET 72 1HE MET 72 -0.276 14.275 -4.642 548 HE3 MET 72 2HE MET 72 -0.033 14.732 -2.956 549 HA PRO 73 HA PRO 73 0.170 7.906 -2.682 550 HB2 PRO 73 1HB PRO 73 -1.587 5.925 -2.291 551 HB3 PRO 73 2HB PRO 73 -1.812 7.512 -1.543 552 HG2 PRO 73 1HG PRO 73 -3.130 6.350 -3.961 553 HG3 PRO 73 2HG PRO 73 -3.833 7.333 -2.664 554 HD2 PRO 73 1HD PRO 73 -3.060 8.307 -5.132 555 HD3 PRO 73 2HD PRO 73 -3.221 9.288 -3.666 556 H THR 74 H THR 74 0.896 5.584 -2.732 557 HA THR 74 HA THR 74 0.781 4.438 -5.426 558 HB THR 74 HB THR 74 3.217 4.342 -3.642 559 HG1 THR 74 1HG THR 74 2.346 6.285 -5.394 560 HG21 THR 74 3HG2 THR 74 3.161 2.497 -5.178 561 HG22 THR 74 1HG2 THR 74 4.339 3.669 -5.768 562 HG23 THR 74 2HG2 THR 74 2.746 3.570 -6.519 563 H LEU 75 H LEU 75 -0.129 2.473 -5.352 564 HA LEU 75 HA LEU 75 -0.163 1.065 -2.770 565 HB2 LEU 75 1HB LEU 75 -2.083 1.328 -5.012 566 HB3 LEU 75 2HB LEU 75 -2.007 -0.207 -4.177 567 HG LEU 75 HG LEU 75 -3.797 1.297 -3.340 568 HD11 LEU 75 1HD1 LEU 75 -2.913 -0.428 -1.898 569 HD12 LEU 75 2HD1 LEU 75 -3.291 1.016 -0.961 570 HD13 LEU 75 3HD1 LEU 75 -1.617 0.645 -1.372 571 HD21 LEU 75 3HD2 LEU 75 -1.475 3.018 -2.490 572 HD22 LEU 75 1HD2 LEU 75 -3.134 3.214 -1.920 573 HD23 LEU 75 2HD2 LEU 75 -2.753 3.442 -3.627 574 H LEU 76 H LEU 76 1.510 -0.320 -2.812 575 HA LEU 76 HA LEU 76 1.641 -2.150 -5.095 576 HB2 LEU 76 1HB LEU 76 3.858 -1.824 -3.102 577 HB3 LEU 76 2HB LEU 76 3.950 -2.351 -4.766 578 HG LEU 76 HG LEU 76 5.017 -0.270 -4.651 579 HD11 LEU 76 1HD1 LEU 76 2.315 0.376 -5.714 580 HD12 LEU 76 2HD1 LEU 76 3.487 -0.647 -6.540 581 HD13 LEU 76 3HD1 LEU 76 3.872 1.043 -6.218 582 HD21 LEU 76 3HD2 LEU 76 2.640 0.975 -3.347 583 HD22 LEU 76 1HD2 LEU 76 4.199 1.726 -3.684 584 HD23 LEU 76 2HD2 LEU 76 4.080 0.440 -2.484 585 H LEU 77 H LEU 77 0.746 -4.058 -4.619 586 HA LEU 77 HA LEU 77 1.141 -5.075 -1.914 587 HB2 LEU 77 1HB LEU 77 -0.050 -7.025 -3.604 588 HB3 LEU 77 2HB LEU 77 -0.732 -6.202 -2.223 589 HG LEU 77 HG LEU 77 -0.828 -5.139 -5.052 590 HD11 LEU 77 1HD1 LEU 77 -2.116 -7.183 -4.862 591 HD12 LEU 77 2HD1 LEU 77 -3.231 -5.814 -4.882 592 HD13 LEU 77 3HD1 LEU 77 -2.852 -6.620 -3.358 593 HD21 LEU 77 3HD2 LEU 77 -0.989 -3.448 -3.204 594 HD22 LEU 77 1HD2 LEU 77 -2.430 -4.292 -2.640 595 HD23 LEU 77 2HD2 LEU 77 -2.413 -3.551 -4.240 596 H PHE 78 H PHE 78 2.844 -6.229 -1.444 597 HA PHE 78 HA PHE 78 4.449 -7.240 -3.674 598 HB2 PHE 78 1HB PHE 78 5.110 -6.139 -0.988 599 HB3 PHE 78 2HB PHE 78 6.201 -7.328 -1.684 600 HD1 PHE 78 2HD PHE 78 7.356 -6.849 -3.793 601 HD2 PHE 78 1HD PHE 78 4.998 -3.915 -1.816 602 HE1 PHE 78 2HE PHE 78 8.434 -5.094 -5.129 603 HE2 PHE 78 1HE PHE 78 6.076 -2.149 -3.147 604 HZ PHE 78 HZ PHE 78 7.794 -2.738 -4.805 605 H LYS 79 H LYS 79 5.667 -9.205 -3.364 606 HA LYS 79 HA LYS 79 4.745 -11.028 -1.292 607 HB2 LYS 79 1HB LYS 79 3.153 -11.205 -3.163 608 HB3 LYS 79 2HB LYS 79 4.491 -11.568 -4.244 609 HG2 LYS 79 1HG LYS 79 4.897 -13.646 -3.069 610 HG3 LYS 79 2HG LYS 79 3.637 -13.258 -1.896 611 HD2 LYS 79 1HD LYS 79 1.957 -13.306 -3.654 612 HD3 LYS 79 2HD LYS 79 3.204 -13.616 -4.861 613 HE2 LYS 79 1HE LYS 79 2.068 -15.675 -4.298 614 HE3 LYS 79 2HE LYS 79 3.737 -15.735 -3.740 615 HZ1 LYS 79 3HZ LYS 79 2.196 -16.604 -2.091 616 HZ2 LYS 79 1HZ LYS 79 1.382 -15.121 -2.038 617 HZ3 LYS 79 2HZ LYS 79 2.985 -15.230 -1.507 618 H ASN 80 H ASN 80 6.438 -12.120 -0.564 619 HA ASN 80 HA ASN 80 8.561 -12.908 -0.312 620 HB2 ASN 80 1HB ASN 80 8.272 -13.600 -3.242 621 HB3 ASN 80 2HB ASN 80 9.502 -14.242 -2.165 622 HD21 ASN 80 1HD2 ASN 80 6.319 -14.507 -3.297 623 HD22 ASN 80 2HD2 ASN 80 5.837 -15.837 -2.307 624 H GLY 81 H GLY 81 8.344 -10.134 -0.938 625 HA2 GLY 81 1HA GLY 81 9.807 -8.396 -1.244 626 HA3 GLY 81 2HA GLY 81 11.088 -9.586 -1.407 627 H LYS 82 H LYS 82 8.570 -10.182 -3.604 628 HA LYS 82 HA LYS 82 10.233 -9.032 -5.729 629 HB2 LYS 82 1HB LYS 82 8.074 -11.150 -5.830 630 HB3 LYS 82 2HB LYS 82 9.020 -10.597 -7.195 631 HG2 LYS 82 1HG LYS 82 10.098 -11.991 -4.764 632 HG3 LYS 82 2HG LYS 82 9.839 -12.722 -6.348 633 HD2 LYS 82 1HD LYS 82 11.479 -11.232 -7.335 634 HD3 LYS 82 2HD LYS 82 11.691 -10.407 -5.790 635 HE2 LYS 82 1HE LYS 82 12.270 -13.320 -6.284 636 HE3 LYS 82 2HE LYS 82 13.479 -12.039 -6.277 637 HZ1 LYS 82 3HZ LYS 82 12.944 -11.581 -3.979 638 HZ2 LYS 82 1HZ LYS 82 13.369 -13.207 -4.157 639 HZ3 LYS 82 2HZ LYS 82 11.745 -12.773 -3.980 640 H GLU 83 H GLU 83 6.844 -9.872 -5.537 641 HA GLU 83 HA GLU 83 5.602 -7.545 -5.026 642 HB2 GLU 83 1HB GLU 83 4.948 -6.599 -7.198 643 HB3 GLU 83 2HB GLU 83 6.688 -6.500 -6.979 644 HG2 GLU 83 1HG GLU 83 7.060 -8.302 -8.481 645 HG3 GLU 83 2HG GLU 83 5.340 -8.684 -8.540 646 H VAL 84 H VAL 84 3.390 -7.505 -6.445 647 HA VAL 84 HA VAL 84 2.670 -10.057 -7.518 648 HB VAL 84 HB VAL 84 2.212 -10.046 -4.953 649 HG11 VAL 84 1HG1 VAL 84 -0.198 -8.544 -5.934 650 HG12 VAL 84 2HG1 VAL 84 1.057 -7.922 -4.862 651 HG13 VAL 84 3HG1 VAL 84 0.013 -9.239 -4.328 652 HG21 VAL 84 3HG2 VAL 84 0.216 -11.445 -5.285 653 HG22 VAL 84 1HG2 VAL 84 1.539 -11.838 -6.388 654 HG23 VAL 84 2HG2 VAL 84 0.158 -10.905 -6.965 655 H ALA 85 H ALA 85 1.983 -6.757 -6.667 656 HA ALA 85 HA ALA 85 0.980 -6.222 -9.308 657 HB1 ALA 85 1HB ALA 85 -0.866 -5.854 -6.956 658 HB2 ALA 85 2HB ALA 85 -1.094 -6.980 -8.295 659 HB3 ALA 85 3HB ALA 85 -1.148 -5.238 -8.582 660 H LYS 86 H LYS 86 0.640 -3.920 -9.648 661 HA LYS 86 HA LYS 86 1.531 -2.181 -7.514 662 HB2 LYS 86 1HB LYS 86 3.631 -2.628 -8.549 663 HB3 LYS 86 2HB LYS 86 2.953 -2.457 -10.159 664 HG2 LYS 86 1HG LYS 86 2.803 -0.117 -9.963 665 HG3 LYS 86 2HG LYS 86 3.086 -0.164 -8.226 666 HD2 LYS 86 1HD LYS 86 5.362 -1.148 -8.769 667 HD3 LYS 86 2HD LYS 86 5.039 -0.710 -10.447 668 HE2 LYS 86 1HE LYS 86 4.759 1.634 -9.776 669 HE3 LYS 86 2HE LYS 86 5.095 1.189 -8.102 670 HZ1 LYS 86 3HZ LYS 86 6.972 0.951 -10.391 671 HZ2 LYS 86 1HZ LYS 86 7.300 0.433 -8.813 672 HZ3 LYS 86 2HZ LYS 86 7.061 2.076 -9.134 673 H VAL 87 H VAL 87 0.210 -0.510 -7.391 674 HA VAL 87 HA VAL 87 -0.868 0.614 -9.897 675 HB VAL 87 HB VAL 87 -2.285 0.778 -7.231 676 HG11 VAL 87 1HG1 VAL 87 -2.823 2.514 -8.852 677 HG12 VAL 87 2HG1 VAL 87 -4.198 1.437 -8.602 678 HG13 VAL 87 3HG1 VAL 87 -3.212 1.284 -10.055 679 HG21 VAL 87 3HG2 VAL 87 -2.158 -1.586 -7.933 680 HG22 VAL 87 1HG2 VAL 87 -2.912 -1.153 -9.466 681 HG23 VAL 87 2HG2 VAL 87 -3.809 -0.960 -7.957 682 H VAL 88 H VAL 88 -0.622 2.781 -10.151 683 HA VAL 88 HA VAL 88 0.868 4.127 -7.996 684 HB VAL 88 HB VAL 88 1.406 4.690 -10.892 685 HG11 VAL 88 1HG1 VAL 88 3.030 4.940 -8.362 686 HG12 VAL 88 2HG1 VAL 88 2.304 6.254 -9.291 687 HG13 VAL 88 3HG1 VAL 88 3.624 5.309 -9.982 688 HG21 VAL 88 3HG2 VAL 88 2.844 2.584 -9.283 689 HG22 VAL 88 1HG2 VAL 88 3.125 3.020 -10.968 690 HG23 VAL 88 2HG2 VAL 88 1.612 2.228 -10.499 691 H GLY 89 H GLY 89 -1.225 4.991 -7.412 692 HA2 GLY 89 1HA GLY 89 -1.595 7.616 -8.042 693 HA3 GLY 89 2HA GLY 89 -2.606 6.754 -9.198 694 H ALA 90 H ALA 90 -4.199 8.137 -7.904 695 HA ALA 90 HA ALA 90 -4.936 7.203 -5.298 696 HB1 ALA 90 1HB ALA 90 -5.383 9.506 -6.159 697 HB2 ALA 90 2HB ALA 90 -6.800 8.698 -5.488 698 HB3 ALA 90 3HB ALA 90 -6.596 8.812 -7.236 699 H ASN 91 H ASN 91 -5.380 5.001 -5.338 700 HA ASN 91 HA ASN 91 -7.405 4.154 -7.290 701 HB2 ASN 91 1HB ASN 91 -6.344 1.945 -7.320 702 HB3 ASN 91 2HB ASN 91 -5.233 3.211 -7.835 703 HD21 ASN 91 1HD2 ASN 91 -4.878 0.490 -6.685 704 HD22 ASN 91 2HD2 ASN 91 -3.822 0.705 -5.340 705 HA PRO 92 HA PRO 92 -9.342 2.728 -3.333 706 HB2 PRO 92 1HB PRO 92 -11.671 4.233 -4.255 707 HB3 PRO 92 2HB PRO 92 -10.848 4.313 -2.695 708 HG2 PRO 92 1HG PRO 92 -10.787 6.335 -4.512 709 HG3 PRO 92 2HG PRO 92 -9.477 6.023 -3.359 710 HD2 PRO 92 1HD PRO 92 -9.658 5.321 -6.265 711 HD3 PRO 92 2HD PRO 92 -8.264 5.903 -5.332 712 H ALA 93 H ALA 93 -10.317 3.366 -6.666 713 HA ALA 93 HA ALA 93 -12.032 1.021 -6.767 714 HB1 ALA 93 1HB ALA 93 -11.305 2.867 -9.029 715 HB2 ALA 93 2HB ALA 93 -12.641 3.150 -7.918 716 HB3 ALA 93 3HB ALA 93 -12.648 1.728 -8.960 717 H ALA 94 H ALA 94 -8.982 2.150 -8.183 718 HA ALA 94 HA ALA 94 -8.568 -0.250 -9.693 719 HB1 ALA 94 1HB ALA 94 -6.275 0.666 -10.059 720 HB2 ALA 94 2HB ALA 94 -6.727 2.039 -9.047 721 HB3 ALA 94 3HB ALA 94 -7.591 1.730 -10.545 722 H ILE 95 H ILE 95 -7.927 0.622 -6.381 723 HA ILE 95 HA ILE 95 -5.994 -1.317 -5.814 724 HB ILE 95 HB ILE 95 -7.040 0.264 -4.096 725 HG12 ILE 95 1HG1 ILE 95 -6.614 -1.255 -2.226 726 HG13 ILE 95 2HG1 ILE 95 -6.792 -2.661 -3.280 727 HG21 ILE 95 1HG2 ILE 95 -9.074 -1.944 -3.903 728 HG22 ILE 95 2HG2 ILE 95 -9.375 -0.311 -4.515 729 HG23 ILE 95 3HG2 ILE 95 -8.934 -0.550 -2.824 730 HD11 ILE 95 3HD1 ILE 95 -4.785 -2.046 -4.470 731 HD12 ILE 95 1HD1 ILE 95 -4.456 -2.130 -2.741 732 HD13 ILE 95 2HD1 ILE 95 -4.641 -0.563 -3.529 733 H LYS 96 H LYS 96 -9.431 -1.516 -6.376 734 HA LYS 96 HA LYS 96 -9.863 -4.180 -5.711 735 HB2 LYS 96 1HB LYS 96 -11.189 -2.497 -7.836 736 HB3 LYS 96 2HB LYS 96 -11.742 -4.106 -7.395 737 HG2 LYS 96 1HG LYS 96 -11.588 -1.728 -5.552 738 HG3 LYS 96 2HG LYS 96 -13.054 -2.377 -6.292 739 HD2 LYS 96 1HD LYS 96 -11.243 -3.950 -4.468 740 HD3 LYS 96 2HD LYS 96 -12.682 -3.086 -3.920 741 HE2 LYS 96 1HE LYS 96 -12.654 -5.274 -5.998 742 HE3 LYS 96 2HE LYS 96 -13.073 -5.499 -4.303 743 HZ1 LYS 96 3HZ LYS 96 -14.519 -3.764 -6.230 744 HZ2 LYS 96 1HZ LYS 96 -14.912 -3.955 -4.597 745 HZ3 LYS 96 2HZ LYS 96 -15.044 -5.266 -5.660 746 H GLN 97 H GLN 97 -8.491 -2.746 -8.576 747 HA GLN 97 HA GLN 97 -8.356 -4.980 -10.240 748 HB2 GLN 97 1HB GLN 97 -7.814 -2.670 -10.942 749 HB3 GLN 97 2HB GLN 97 -6.377 -2.702 -9.939 750 HG2 GLN 97 1HG GLN 97 -6.667 -4.785 -12.044 751 HG3 GLN 97 2HG GLN 97 -6.277 -3.140 -12.536 752 HE21 GLN 97 1HE2 GLN 97 -5.136 -6.006 -10.957 753 HE22 GLN 97 2HE2 GLN 97 -3.487 -5.500 -10.779 754 H ALA 98 H ALA 98 -5.908 -3.746 -7.946 755 HA ALA 98 HA ALA 98 -4.305 -6.133 -8.244 756 HB1 ALA 98 1HB ALA 98 -4.023 -3.866 -6.262 757 HB2 ALA 98 2HB ALA 98 -3.281 -3.916 -7.859 758 HB3 ALA 98 3HB ALA 98 -2.792 -5.080 -6.626 759 H ILE 99 H ILE 99 -6.745 -5.070 -6.160 760 HA ILE 99 HA ILE 99 -6.052 -6.667 -3.904 761 HB ILE 99 HB ILE 99 -7.631 -4.463 -4.259 762 HG12 ILE 99 1HG1 ILE 99 -6.564 -5.106 -2.194 763 HG13 ILE 99 2HG1 ILE 99 -8.265 -4.738 -1.909 764 HG21 ILE 99 1HG2 ILE 99 -9.887 -4.880 -3.774 765 HG22 ILE 99 2HG2 ILE 99 -9.597 -6.607 -3.554 766 HG23 ILE 99 3HG2 ILE 99 -9.476 -5.892 -5.162 767 HD11 ILE 99 3HD1 ILE 99 -7.216 -6.874 -0.861 768 HD12 ILE 99 1HD1 ILE 99 -7.481 -7.547 -2.473 769 HD13 ILE 99 2HD1 ILE 99 -8.843 -6.919 -1.545 770 H ALA 100 H ALA 100 -8.406 -6.923 -6.513 771 HA ALA 100 HA ALA 100 -9.486 -9.358 -5.405 772 HB1 ALA 100 1HB ALA 100 -10.999 -7.757 -6.461 773 HB2 ALA 100 2HB ALA 100 -11.033 -9.310 -7.295 774 HB3 ALA 100 3HB ALA 100 -10.148 -7.954 -7.992 775 H ALA 101 H ALA 101 -7.363 -8.340 -7.997 776 HA ALA 101 HA ALA 101 -7.181 -10.854 -9.278 777 HB1 ALA 101 1HB ALA 101 -5.192 -9.975 -10.358 778 HB2 ALA 101 2HB ALA 101 -5.136 -8.639 -9.209 779 HB3 ALA 101 3HB ALA 101 -6.473 -8.763 -10.351 780 H ASN 102 H ASN 102 -5.363 -9.349 -6.603 781 HA ASN 102 HA ASN 102 -3.866 -11.902 -6.435 782 HB2 ASN 102 1HB ASN 102 -2.936 -9.246 -5.358 783 HB3 ASN 102 2HB ASN 102 -2.001 -10.733 -5.498 784 HD21 ASN 102 1HD2 ASN 102 -3.190 -7.957 -7.087 785 HD22 ASN 102 2HD2 ASN 102 -2.413 -8.215 -8.616 786 H ALA 103 H ALA 103 -4.372 -9.281 -4.099 787 HA ALA 103 HA ALA 103 -3.959 -10.808 -1.841 788 HB1 ALA 103 1HB ALA 103 -4.960 -8.998 -0.574 789 HB2 ALA 103 2HB ALA 103 -5.718 -8.371 -2.037 790 HB3 ALA 103 3HB ALA 103 -3.963 -8.357 -1.881 Start of MODEL 6 1 H1 MET 1 1H MET 1 -9.679 -2.355 10.239 2 H2 MET 1 2H MET 1 -8.409 -3.455 10.046 3 H3 MET 1 3H MET 1 -8.864 -2.458 8.756 4 HA MET 1 HA MET 1 -8.170 -0.512 9.961 5 HB2 MET 1 1HB MET 1 -8.613 -1.391 12.222 6 HB3 MET 1 2HB MET 1 -7.265 -2.505 12.051 7 HG2 MET 1 1HG MET 1 -5.707 -0.663 11.949 8 HG3 MET 1 2HG MET 1 -7.033 0.495 11.998 9 HE1 MET 1 3HE MET 1 -5.906 -2.270 15.522 10 HE2 MET 1 1HE MET 1 -5.060 -2.259 13.974 11 HE3 MET 1 2HE MET 1 -6.717 -2.857 14.070 12 H VAL 2 H VAL 2 -6.272 0.257 9.209 13 HA VAL 2 HA VAL 2 -4.324 -1.754 8.310 14 HB VAL 2 HB VAL 2 -4.965 -1.029 6.291 15 HG11 VAL 2 1HG1 VAL 2 -5.899 1.158 5.767 16 HG12 VAL 2 2HG1 VAL 2 -5.620 1.674 7.434 17 HG13 VAL 2 3HG1 VAL 2 -6.764 0.373 7.091 18 HG21 VAL 2 3HG2 VAL 2 -3.321 1.415 6.752 19 HG22 VAL 2 1HG2 VAL 2 -3.378 0.346 5.350 20 HG23 VAL 2 2HG2 VAL 2 -2.589 -0.184 6.832 21 H THR 3 H THR 3 -2.268 -1.527 8.709 22 HA THR 3 HA THR 3 -1.466 0.254 10.820 23 HB THR 3 HB THR 3 -0.507 -2.215 9.541 24 HG1 THR 3 1HG THR 3 -0.321 -2.837 11.609 25 HG21 THR 3 3HG2 THR 3 1.387 -0.694 9.068 26 HG22 THR 3 1HG2 THR 3 1.806 -2.002 10.191 27 HG23 THR 3 2HG2 THR 3 1.517 -0.374 10.806 28 H GLN 4 H GLN 4 0.117 1.786 10.768 29 HA GLN 4 HA GLN 4 1.139 2.600 8.147 30 HB2 GLN 4 1HB GLN 4 1.962 4.605 9.655 31 HB3 GLN 4 2HB GLN 4 0.317 4.538 9.048 32 HG2 GLN 4 1HG GLN 4 0.227 5.207 11.324 33 HG3 GLN 4 2HG GLN 4 -0.380 3.552 11.222 34 HE21 GLN 4 1HE2 GLN 4 2.410 5.514 12.111 35 HE22 GLN 4 2HE2 GLN 4 3.067 4.381 13.239 36 H PHE 5 H PHE 5 3.342 2.622 7.712 37 HA PHE 5 HA PHE 5 5.034 1.354 9.741 38 HB2 PHE 5 1HB PHE 5 5.478 1.747 6.785 39 HB3 PHE 5 2HB PHE 5 6.740 1.203 7.872 40 HD1 PHE 5 1HD PHE 5 4.816 -0.543 9.586 41 HD2 PHE 5 2HD PHE 5 5.525 -0.182 5.409 42 HE1 PHE 5 1HE PHE 5 4.119 -2.880 9.267 43 HE2 PHE 5 2HE PHE 5 4.829 -2.514 5.075 44 HZ PHE 5 HZ PHE 5 4.123 -3.867 7.012 45 H LYS 6 H LYS 6 7.174 2.183 10.071 46 HA LYS 6 HA LYS 6 7.256 5.107 9.815 47 HB2 LYS 6 1HB LYS 6 8.286 5.163 12.066 48 HB3 LYS 6 2HB LYS 6 6.641 4.534 12.080 49 HG2 LYS 6 1HG LYS 6 7.694 2.226 12.010 50 HG3 LYS 6 2HG LYS 6 9.218 3.026 12.377 51 HD2 LYS 6 1HD LYS 6 8.283 3.929 14.426 52 HD3 LYS 6 2HD LYS 6 6.715 3.210 14.048 53 HE2 LYS 6 1HE LYS 6 7.761 0.977 14.110 54 HE3 LYS 6 2HE LYS 6 9.290 1.726 14.566 55 HZ1 LYS 6 3HZ LYS 6 8.141 0.883 16.495 56 HZ2 LYS 6 1HZ LYS 6 6.770 1.808 16.136 57 HZ3 LYS 6 2HZ LYS 6 8.216 2.569 16.571 58 H THR 7 H THR 7 8.899 2.129 9.416 59 HA THR 7 HA THR 7 11.301 3.597 8.616 60 HB THR 7 HB THR 7 12.694 1.677 9.318 61 HG1 THR 7 1HG THR 7 11.417 0.452 11.106 62 HG21 THR 7 3HG2 THR 7 12.540 3.659 10.735 63 HG22 THR 7 1HG2 THR 7 12.689 2.199 11.712 64 HG23 THR 7 2HG2 THR 7 11.121 2.986 11.533 65 H ALA 8 H ALA 8 12.449 2.802 6.866 66 HA ALA 8 HA ALA 8 10.999 1.558 4.809 67 HB1 ALA 8 1HB ALA 8 13.108 1.432 3.628 68 HB2 ALA 8 2HB ALA 8 14.003 1.669 5.129 69 HB3 ALA 8 3HB ALA 8 13.012 2.974 4.480 70 H SER 9 H SER 9 13.004 0.351 7.380 71 HA SER 9 HA SER 9 13.297 -2.309 6.481 72 HB2 SER 9 1HB SER 9 14.659 -1.179 8.280 73 HB3 SER 9 2HB SER 9 13.270 -1.356 9.350 74 HG SER 9 HG SER 9 14.790 -3.408 8.119 75 H GLU 10 H GLU 10 10.786 -0.618 8.334 76 HA GLU 10 HA GLU 10 9.316 -2.907 9.121 77 HB2 GLU 10 1HB GLU 10 8.577 -0.045 8.605 78 HB3 GLU 10 2HB GLU 10 7.328 -1.231 8.948 79 HG2 GLU 10 1HG GLU 10 9.681 -0.765 10.748 80 HG3 GLU 10 2HG GLU 10 8.154 0.099 10.905 81 H PHE 11 H PHE 11 9.106 -0.861 6.261 82 HA PHE 11 HA PHE 11 7.068 -2.308 4.950 83 HB2 PHE 11 1HB PHE 11 7.277 -0.224 4.063 84 HB3 PHE 11 2HB PHE 11 9.023 -0.183 4.257 85 HD1 PHE 11 1HD PHE 11 6.260 -1.217 2.077 86 HD2 PHE 11 2HD PHE 11 10.480 -0.925 2.513 87 HE1 PHE 11 1HE PHE 11 6.527 -1.615 -0.335 88 HE2 PHE 11 2HE PHE 11 10.759 -1.330 0.100 89 HZ PHE 11 HZ PHE 11 8.781 -1.672 -1.327 90 H ASP 12 H ASP 12 10.589 -2.417 4.710 91 HA ASP 12 HA ASP 12 10.816 -4.238 2.612 92 HB2 ASP 12 1HB ASP 12 12.681 -2.891 3.503 93 HB3 ASP 12 2HB ASP 12 12.682 -3.873 4.963 94 H SER 13 H SER 13 10.763 -4.849 6.115 95 HA SER 13 HA SER 13 11.065 -7.658 5.851 96 HB2 SER 13 1HB SER 13 9.925 -6.108 8.190 97 HB3 SER 13 2HB SER 13 10.583 -7.745 8.234 98 HG SER 13 HG SER 13 11.913 -5.283 7.961 99 H ALA 14 H ALA 14 8.306 -5.533 5.793 100 HA ALA 14 HA ALA 14 6.335 -7.541 6.217 101 HB1 ALA 14 1HB ALA 14 4.759 -5.901 5.255 102 HB2 ALA 14 2HB ALA 14 6.128 -4.869 4.835 103 HB3 ALA 14 3HB ALA 14 5.768 -5.210 6.529 104 H ILE 15 H ILE 15 7.599 -5.970 3.287 105 HA ILE 15 HA ILE 15 5.939 -7.424 1.531 106 HB ILE 15 HB ILE 15 7.403 -6.608 -0.266 107 HG12 ILE 15 1HG1 ILE 15 9.034 -5.291 1.903 108 HG13 ILE 15 2HG1 ILE 15 9.512 -6.799 1.135 109 HG21 ILE 15 1HG2 ILE 15 6.743 -4.516 1.805 110 HG22 ILE 15 2HG2 ILE 15 5.613 -5.195 0.635 111 HG23 ILE 15 3HG2 ILE 15 6.983 -4.231 0.081 112 HD11 ILE 15 3HD1 ILE 15 9.570 -5.663 -1.028 113 HD12 ILE 15 1HD1 ILE 15 10.657 -4.915 0.141 114 HD13 ILE 15 2HD1 ILE 15 9.111 -4.154 -0.239 115 H ALA 16 H ALA 16 8.898 -8.224 3.118 116 HA ALA 16 HA ALA 16 9.677 -10.273 1.240 117 HB1 ALA 16 1HB ALA 16 11.312 -9.023 2.612 118 HB2 ALA 16 2HB ALA 16 11.440 -10.774 2.800 119 HB3 ALA 16 3HB ALA 16 10.653 -9.809 4.049 120 H GLN 17 H GLN 17 7.218 -10.134 3.413 121 HA GLN 17 HA GLN 17 7.495 -12.716 4.617 122 HB2 GLN 17 1HB GLN 17 5.153 -10.816 4.430 123 HB3 GLN 17 2HB GLN 17 5.109 -12.330 5.322 124 HG2 GLN 17 1HG GLN 17 6.823 -11.562 6.816 125 HG3 GLN 17 2HG GLN 17 7.050 -10.098 5.863 126 HE21 GLN 17 1HE2 GLN 17 6.625 -8.806 7.653 127 HE22 GLN 17 2HE2 GLN 17 5.017 -8.581 8.255 128 H ASP 18 H ASP 18 5.983 -14.478 4.296 129 HA ASP 18 HA ASP 18 5.584 -15.076 1.502 130 HB2 ASP 18 1HB ASP 18 6.427 -16.764 3.117 131 HB3 ASP 18 2HB ASP 18 4.896 -16.684 3.975 132 H LYS 19 H LYS 19 4.033 -12.931 2.677 133 HA LYS 19 HA LYS 19 1.332 -13.910 2.097 134 HB2 LYS 19 1HB LYS 19 0.393 -13.096 3.993 135 HB3 LYS 19 2HB LYS 19 1.952 -13.572 4.627 136 HG2 LYS 19 1HG LYS 19 2.699 -11.385 4.817 137 HG3 LYS 19 2HG LYS 19 1.499 -10.773 3.673 138 HD2 LYS 19 1HD LYS 19 0.884 -11.886 6.410 139 HD3 LYS 19 2HD LYS 19 0.969 -10.170 6.006 140 HE2 LYS 19 1HE LYS 19 -0.900 -10.339 4.540 141 HE3 LYS 19 2HE LYS 19 -0.890 -12.099 4.620 142 HZ1 LYS 19 3HZ LYS 19 -2.632 -11.252 6.006 143 HZ2 LYS 19 1HZ LYS 19 -1.566 -10.221 6.830 144 HZ3 LYS 19 2HZ LYS 19 -1.434 -11.901 7.004 145 H LEU 20 H LEU 20 -0.153 -11.985 1.768 146 HA LEU 20 HA LEU 20 1.114 -10.302 -0.200 147 HB2 LEU 20 1HB LEU 20 -1.117 -11.460 -0.483 148 HB3 LEU 20 2HB LEU 20 -1.768 -10.340 0.687 149 HG LEU 20 HG LEU 20 -2.294 -9.737 -1.653 150 HD11 LEU 20 1HD1 LEU 20 -0.568 -7.717 -0.256 151 HD12 LEU 20 2HD1 LEU 20 -2.280 -8.012 0.052 152 HD13 LEU 20 3HD1 LEU 20 -1.762 -7.386 -1.512 153 HD21 LEU 20 3HD2 LEU 20 -0.296 -10.503 -2.757 154 HD22 LEU 20 1HD2 LEU 20 0.669 -9.308 -1.885 155 HD23 LEU 20 2HD2 LEU 20 -0.535 -8.782 -3.060 156 H VAL 21 H VAL 21 2.030 -8.447 0.354 157 HA VAL 21 HA VAL 21 0.833 -6.894 2.555 158 HB VAL 21 HB VAL 21 3.713 -7.012 1.630 159 HG11 VAL 21 1HG1 VAL 21 2.493 -5.170 3.682 160 HG12 VAL 21 2HG1 VAL 21 3.067 -4.684 2.087 161 HG13 VAL 21 3HG1 VAL 21 4.207 -5.298 3.288 162 HG21 VAL 21 3HG2 VAL 21 4.116 -7.702 3.955 163 HG22 VAL 21 1HG2 VAL 21 3.032 -8.811 3.115 164 HG23 VAL 21 2HG2 VAL 21 2.381 -7.643 4.263 165 H VAL 22 H VAL 22 -0.449 -5.399 1.662 166 HA VAL 22 HA VAL 22 0.545 -3.953 -0.664 167 HB VAL 22 HB VAL 22 -1.518 -4.431 -1.361 168 HG11 VAL 22 1HG1 VAL 22 -2.384 -4.556 1.499 169 HG12 VAL 22 2HG1 VAL 22 -2.192 -5.879 0.340 170 HG13 VAL 22 3HG1 VAL 22 -3.499 -4.711 0.141 171 HG21 VAL 22 3HG2 VAL 22 -2.160 -2.065 0.381 172 HG22 VAL 22 1HG2 VAL 22 -3.158 -2.654 -0.948 173 HG23 VAL 22 2HG2 VAL 22 -1.544 -2.023 -1.271 174 H VAL 23 H VAL 23 1.808 -2.423 -0.136 175 HA VAL 23 HA VAL 23 1.270 -0.697 2.172 176 HB VAL 23 HB VAL 23 3.710 -1.305 0.517 177 HG11 VAL 23 1HG1 VAL 23 3.662 1.125 0.791 178 HG12 VAL 23 2HG1 VAL 23 4.949 0.392 1.749 179 HG13 VAL 23 3HG1 VAL 23 3.461 0.921 2.531 180 HG21 VAL 23 3HG2 VAL 23 3.253 -1.343 3.494 181 HG22 VAL 23 1HG2 VAL 23 4.644 -1.979 2.622 182 HG23 VAL 23 2HG2 VAL 23 3.066 -2.742 2.440 183 H ALA 24 H ALA 24 0.861 1.481 1.960 184 HA ALA 24 HA ALA 24 1.159 2.700 -0.699 185 HB1 ALA 24 1HB ALA 24 -1.258 2.161 -0.047 186 HB2 ALA 24 2HB ALA 24 -0.892 3.780 -0.636 187 HB3 ALA 24 3HB ALA 24 -1.088 3.496 1.090 188 H PHE 25 H PHE 25 2.026 4.655 -0.794 189 HA PHE 25 HA PHE 25 3.068 5.778 1.671 190 HB2 PHE 25 1HB PHE 25 3.530 6.334 -1.242 191 HB3 PHE 25 2HB PHE 25 4.184 7.380 0.020 192 HD1 PHE 25 2HD PHE 25 5.407 6.000 1.968 193 HD2 PHE 25 1HD PHE 25 4.911 4.691 -2.052 194 HE1 PHE 25 2HE PHE 25 7.316 4.475 2.231 195 HE2 PHE 25 1HE PHE 25 6.827 3.163 -1.793 196 HZ PHE 25 HZ PHE 25 8.027 3.055 0.351 197 H TYR 26 H TYR 26 2.259 7.453 2.699 198 HA TYR 26 HA TYR 26 0.151 9.088 1.420 199 HB2 TYR 26 1HB TYR 26 0.426 8.036 4.228 200 HB3 TYR 26 2HB TYR 26 -0.540 9.459 3.893 201 HD1 TYR 26 1HD TYR 26 -0.501 6.703 1.470 202 HD2 TYR 26 2HD TYR 26 -2.462 8.399 4.841 203 HE1 TYR 26 1HE TYR 26 -2.448 5.253 1.069 204 HE2 TYR 26 2HE TYR 26 -4.405 6.963 4.446 205 HH TYR 26 HH TYR 26 -5.427 5.755 2.549 206 H ALA 27 H ALA 27 -0.147 11.050 3.159 207 HA ALA 27 HA ALA 27 2.243 12.013 4.361 208 HB1 ALA 27 1HB ALA 27 1.248 13.472 1.907 209 HB2 ALA 27 2HB ALA 27 2.768 12.585 2.035 210 HB3 ALA 27 3HB ALA 27 2.508 14.035 3.005 211 H THR 28 H THR 28 1.796 14.345 5.192 212 HA THR 28 HA THR 28 -0.713 14.399 6.496 213 HB THR 28 HB THR 28 0.067 16.871 6.939 214 HG1 THR 28 1HG THR 28 2.172 17.256 6.466 215 HG21 THR 28 3HG2 THR 28 1.556 14.452 7.961 216 HG22 THR 28 1HG2 THR 28 0.073 15.130 8.630 217 HG23 THR 28 2HG2 THR 28 1.577 16.046 8.713 218 H TRP 29 H TRP 29 0.364 15.504 3.450 219 HA TRP 29 HA TRP 29 -2.015 17.153 3.057 220 HB2 TRP 29 1HB TRP 29 -0.851 17.910 0.985 221 HB3 TRP 29 2HB TRP 29 0.021 18.278 2.465 222 HD1 TRP 29 HD TRP 29 0.097 15.791 -0.447 223 HE1 TRP 29 1HE TRP 29 2.534 14.997 -0.789 224 HE3 TRP 29 3HE TRP 29 2.248 18.097 3.557 225 HZ2 TRP 29 2HZ TRP 29 5.027 15.317 0.491 226 HZ3 TRP 29 3HZ TRP 29 4.660 17.805 3.935 227 HH2 TRP 29 HH TRP 29 6.020 16.443 2.433 228 H CYS 30 H CYS 30 -1.761 16.736 0.130 229 HA CYS 30 HA CYS 30 -2.699 15.570 -1.514 230 HB2 CYS 30 1HB CYS 30 -2.197 13.186 -1.746 231 HB3 CYS 30 2HB CYS 30 -0.778 14.143 -1.358 232 H GLY 31 H GLY 31 -4.745 15.900 -1.527 233 HA2 GLY 31 1HA GLY 31 -6.730 14.926 0.132 234 HA3 GLY 31 2HA GLY 31 -6.961 15.369 -1.548 235 HA PRO 32 HA PRO 32 -7.304 11.175 -2.980 236 HB2 PRO 32 1HB PRO 32 -4.439 10.575 -3.480 237 HB3 PRO 32 2HB PRO 32 -5.826 10.441 -4.563 238 HG2 PRO 32 1HG PRO 32 -4.092 12.410 -4.874 239 HG3 PRO 32 2HG PRO 32 -5.832 12.714 -5.044 240 HD2 PRO 32 1HD PRO 32 -4.031 13.287 -2.713 241 HD3 PRO 32 2HD PRO 32 -5.280 14.316 -3.431 242 H CYS 33 H CYS 33 -4.282 11.285 -1.107 243 HA CYS 33 HA CYS 33 -4.273 8.706 -0.064 244 HB2 CYS 33 1HB CYS 33 -3.467 11.148 1.512 245 HB3 CYS 33 2HB CYS 33 -2.764 9.535 1.570 246 H LYS 34 H LYS 34 -5.994 11.567 1.002 247 HA LYS 34 HA LYS 34 -6.917 10.502 3.440 248 HB2 LYS 34 1HB LYS 34 -8.066 12.713 1.731 249 HB3 LYS 34 2HB LYS 34 -8.508 12.387 3.403 250 HG2 LYS 34 1HG LYS 34 -6.189 12.817 4.083 251 HG3 LYS 34 2HG LYS 34 -5.781 13.192 2.409 252 HD2 LYS 34 1HD LYS 34 -7.311 15.066 2.422 253 HD3 LYS 34 2HD LYS 34 -7.843 14.656 4.053 254 HE2 LYS 34 1HE LYS 34 -5.518 15.013 4.845 255 HE3 LYS 34 2HE LYS 34 -5.084 15.546 3.221 256 HZ1 LYS 34 3HZ LYS 34 -5.554 17.410 4.686 257 HZ2 LYS 34 1HZ LYS 34 -7.115 16.826 4.968 258 HZ3 LYS 34 2HZ LYS 34 -6.672 17.346 3.421 259 H MET 35 H MET 35 -8.559 10.820 0.274 260 HA MET 35 HA MET 35 -11.008 9.767 1.162 261 HB2 MET 35 1HB MET 35 -11.560 9.499 -1.232 262 HB3 MET 35 2HB MET 35 -10.954 11.097 -0.827 263 HG2 MET 35 1HG MET 35 -8.751 10.445 -1.691 264 HG3 MET 35 2HG MET 35 -9.414 8.875 -2.130 265 HE1 MET 35 3HE MET 35 -12.022 9.851 -4.892 266 HE2 MET 35 1HE MET 35 -12.334 9.704 -3.163 267 HE3 MET 35 2HE MET 35 -11.297 8.531 -3.976 268 H ILE 36 H ILE 36 -8.311 8.092 -0.499 269 HA ILE 36 HA ILE 36 -9.816 5.650 -0.481 270 HB ILE 36 HB ILE 36 -8.379 4.972 -2.008 271 HG12 ILE 36 1HG1 ILE 36 -7.169 4.196 0.226 272 HG13 ILE 36 2HG1 ILE 36 -6.499 3.870 -1.354 273 HG21 ILE 36 1HG2 ILE 36 -6.649 7.340 -1.354 274 HG22 ILE 36 2HG2 ILE 36 -7.965 7.293 -2.526 275 HG23 ILE 36 3HG2 ILE 36 -6.513 6.326 -2.790 276 HD11 ILE 36 3HD1 ILE 36 -4.826 4.641 0.259 277 HD12 ILE 36 1HD1 ILE 36 -5.719 6.157 0.441 278 HD13 ILE 36 2HD1 ILE 36 -4.980 5.749 -1.114 279 H ALA 37 H ALA 37 -7.903 7.310 1.800 280 HA ALA 37 HA ALA 37 -6.845 5.188 3.249 281 HB1 ALA 37 1HB ALA 37 -6.267 7.570 3.518 282 HB2 ALA 37 2HB ALA 37 -6.540 6.714 5.048 283 HB3 ALA 37 3HB ALA 37 -7.778 7.797 4.412 284 HA PRO 38 HA PRO 38 -10.970 4.687 5.675 285 HB2 PRO 38 1HB PRO 38 -13.000 6.017 4.018 286 HB3 PRO 38 2HB PRO 38 -12.768 6.076 5.768 287 HG2 PRO 38 1HG PRO 38 -12.225 8.186 4.207 288 HG3 PRO 38 2HG PRO 38 -11.249 7.807 5.640 289 HD2 PRO 38 1HD PRO 38 -10.676 7.226 2.753 290 HD3 PRO 38 2HD PRO 38 -9.596 7.875 4.003 291 H MET 39 H MET 39 -11.092 5.023 2.117 292 HA MET 39 HA MET 39 -12.846 2.831 1.708 293 HB2 MET 39 1HB MET 39 -10.727 3.922 -0.133 294 HB3 MET 39 2HB MET 39 -11.971 2.780 -0.607 295 HG2 MET 39 1HG MET 39 -12.380 5.607 0.337 296 HG3 MET 39 2HG MET 39 -12.593 4.995 -1.301 297 HE1 MET 39 3HE MET 39 -14.034 2.187 -0.757 298 HE2 MET 39 1HE MET 39 -14.534 3.319 -2.014 299 HE3 MET 39 2HE MET 39 -15.726 2.669 -0.890 300 H ILE 40 H ILE 40 -9.267 2.906 1.478 301 HA ILE 40 HA ILE 40 -8.812 0.180 1.266 302 HB ILE 40 HB ILE 40 -7.230 2.492 1.912 303 HG12 ILE 40 1HG1 ILE 40 -5.378 0.790 1.245 304 HG13 ILE 40 2HG1 ILE 40 -6.728 -0.283 0.896 305 HG21 ILE 40 1HG2 ILE 40 -7.202 1.615 4.207 306 HG22 ILE 40 2HG2 ILE 40 -5.610 1.604 3.449 307 HG23 ILE 40 3HG2 ILE 40 -6.526 0.103 3.599 308 HD11 ILE 40 3HD1 ILE 40 -6.089 0.784 -1.120 309 HD12 ILE 40 1HD1 ILE 40 -6.120 2.367 -0.351 310 HD13 ILE 40 2HD1 ILE 40 -7.627 1.487 -0.619 311 H GLU 41 H GLU 41 -9.594 2.096 4.126 312 HA GLU 41 HA GLU 41 -9.106 0.132 6.063 313 HB2 GLU 41 1HB GLU 41 -9.544 2.536 6.521 314 HB3 GLU 41 2HB GLU 41 -11.239 2.257 6.138 315 HG2 GLU 41 1HG GLU 41 -11.484 0.779 8.000 316 HG3 GLU 41 2HG GLU 41 -9.752 0.830 8.326 317 H LYS 42 H LYS 42 -12.096 0.855 4.245 318 HA LYS 42 HA LYS 42 -13.680 -1.125 5.442 319 HB2 LYS 42 1HB LYS 42 -14.621 0.572 3.936 320 HB3 LYS 42 2HB LYS 42 -13.744 -0.129 2.581 321 HG2 LYS 42 1HG LYS 42 -15.058 -2.301 3.328 322 HG3 LYS 42 2HG LYS 42 -16.173 -1.100 3.983 323 HD2 LYS 42 1HD LYS 42 -16.234 -0.025 1.745 324 HD3 LYS 42 2HD LYS 42 -15.225 -1.345 1.139 325 HE2 LYS 42 1HE LYS 42 -17.586 -1.733 0.641 326 HE3 LYS 42 2HE LYS 42 -16.947 -2.957 1.736 327 HZ1 LYS 42 3HZ LYS 42 -18.580 -0.605 2.533 328 HZ2 LYS 42 1HZ LYS 42 -17.964 -1.779 3.588 329 HZ3 LYS 42 2HZ LYS 42 -19.124 -2.200 2.436 330 H PHE 43 H PHE 43 -11.675 -1.235 2.565 331 HA PHE 43 HA PHE 43 -12.093 -3.918 1.948 332 HB2 PHE 43 1HB PHE 43 -9.840 -2.051 1.253 333 HB3 PHE 43 2HB PHE 43 -9.993 -3.678 0.605 334 HD1 PHE 43 2HD PHE 43 -13.247 -2.696 0.957 335 HD2 PHE 43 1HD PHE 43 -9.813 -1.816 -1.395 336 HE1 PHE 43 2HE PHE 43 -14.698 -1.848 -0.840 337 HE2 PHE 43 1HE PHE 43 -11.259 -0.967 -3.195 338 HZ PHE 43 HZ PHE 43 -13.704 -0.983 -2.920 339 H SER 44 H SER 44 -10.266 -2.469 4.424 340 HA SER 44 HA SER 44 -8.429 -4.684 4.753 341 HB2 SER 44 1HB SER 44 -7.310 -3.373 6.339 342 HB3 SER 44 2HB SER 44 -7.962 -2.160 5.233 343 HG SER 44 HG SER 44 -9.755 -1.972 6.732 344 H GLU 45 H GLU 45 -11.540 -3.764 5.644 345 HA GLU 45 HA GLU 45 -11.661 -5.590 7.908 346 HB2 GLU 45 1HB GLU 45 -13.008 -3.417 7.692 347 HB3 GLU 45 2HB GLU 45 -13.979 -4.263 6.498 348 HG2 GLU 45 1HG GLU 45 -15.064 -4.314 8.648 349 HG3 GLU 45 2HG GLU 45 -14.572 -5.941 8.178 350 H GLN 46 H GLN 46 -11.898 -5.590 4.518 351 HA GLN 46 HA GLN 46 -13.057 -8.288 4.589 352 HB2 GLN 46 1HB GLN 46 -13.838 -7.525 2.155 353 HB3 GLN 46 2HB GLN 46 -14.823 -7.291 3.593 354 HG2 GLN 46 1HG GLN 46 -14.341 -5.027 3.695 355 HG3 GLN 46 2HG GLN 46 -12.912 -5.173 2.676 356 HE21 GLN 46 1HE2 GLN 46 -13.207 -5.423 0.425 357 HE22 GLN 46 2HE2 GLN 46 -14.691 -4.968 -0.344 358 H TYR 47 H TYR 47 -10.170 -7.443 4.356 359 HA TYR 47 HA TYR 47 -9.688 -8.886 1.842 360 HB2 TYR 47 1HB TYR 47 -7.405 -8.075 1.806 361 HB3 TYR 47 2HB TYR 47 -8.556 -6.754 1.866 362 HD1 TYR 47 1HD TYR 47 -8.667 -7.766 5.089 363 HD2 TYR 47 2HD TYR 47 -5.865 -6.026 2.411 364 HE1 TYR 47 1HE TYR 47 -7.419 -6.808 6.980 365 HE2 TYR 47 2HE TYR 47 -4.687 -5.109 4.215 366 HH TYR 47 HH TYR 47 -5.173 -5.993 7.473 367 HA PRO 48 HA PRO 48 -9.088 -12.363 4.614 368 HB2 PRO 48 1HB PRO 48 -8.887 -13.813 2.050 369 HB3 PRO 48 2HB PRO 48 -9.972 -14.085 3.414 370 HG2 PRO 48 1HG PRO 48 -10.874 -13.032 1.136 371 HG3 PRO 48 2HG PRO 48 -11.480 -12.472 2.707 372 HD2 PRO 48 1HD PRO 48 -9.461 -11.202 0.895 373 HD3 PRO 48 2HD PRO 48 -10.793 -10.451 1.802 374 H GLN 49 H GLN 49 -7.119 -11.945 1.653 375 HA GLN 49 HA GLN 49 -5.043 -13.617 2.854 376 HB2 GLN 49 1HB GLN 49 -6.152 -13.864 0.509 377 HB3 GLN 49 2HB GLN 49 -4.966 -12.668 0.035 378 HG2 GLN 49 1HG GLN 49 -4.211 -15.221 1.404 379 HG3 GLN 49 2HG GLN 49 -4.437 -15.135 -0.337 380 HE21 GLN 49 1HE2 GLN 49 -2.360 -14.434 2.304 381 HE22 GLN 49 2HE2 GLN 49 -1.033 -13.844 1.376 382 H ALA 50 H ALA 50 -5.755 -10.378 2.427 383 HA ALA 50 HA ALA 50 -2.992 -9.638 1.857 384 HB1 ALA 50 1HB ALA 50 -3.898 -7.467 1.185 385 HB2 ALA 50 2HB ALA 50 -5.520 -8.042 1.565 386 HB3 ALA 50 3HB ALA 50 -4.600 -8.795 0.266 387 H ASP 51 H ASP 51 -2.050 -7.930 2.920 388 HA ASP 51 HA ASP 51 -3.337 -7.057 5.409 389 HB2 ASP 51 1HB ASP 51 -0.972 -8.528 5.246 390 HB3 ASP 51 2HB ASP 51 -0.423 -6.866 5.461 391 H PHE 52 H PHE 52 -3.740 -4.991 5.393 392 HA PHE 52 HA PHE 52 -2.681 -3.353 3.268 393 HB2 PHE 52 1HB PHE 52 -4.955 -3.193 5.140 394 HB3 PHE 52 2HB PHE 52 -4.238 -1.650 4.690 395 HD1 PHE 52 2HD PHE 52 -3.553 -2.196 1.839 396 HD2 PHE 52 1HD PHE 52 -6.967 -3.181 4.140 397 HE1 PHE 52 2HE PHE 52 -4.931 -2.190 -0.204 398 HE2 PHE 52 1HE PHE 52 -8.354 -3.162 2.145 399 HZ PHE 52 HZ PHE 52 -7.343 -2.672 -0.056 400 H TYR 53 H TYR 53 -0.987 -1.933 3.604 401 HA TYR 53 HA TYR 53 -0.890 -0.730 6.284 402 HB2 TYR 53 1HB TYR 53 1.579 -1.323 4.634 403 HB3 TYR 53 2HB TYR 53 1.513 -0.717 6.296 404 HD1 TYR 53 1HD TYR 53 0.850 -2.212 8.125 405 HD2 TYR 53 2HD TYR 53 1.374 -3.674 4.179 406 HE1 TYR 53 1HE TYR 53 0.978 -4.497 9.007 407 HE2 TYR 53 2HE TYR 53 1.502 -5.975 5.051 408 HH TYR 53 HH TYR 53 0.532 -6.835 8.096 409 H LYS 54 H LYS 54 -0.843 1.442 6.271 410 HA LYS 54 HA LYS 54 -0.299 2.768 3.677 411 HB2 LYS 54 1HB LYS 54 -2.062 3.871 5.880 412 HB3 LYS 54 2HB LYS 54 -1.789 4.587 4.305 413 HG2 LYS 54 1HG LYS 54 -3.343 2.084 4.915 414 HG3 LYS 54 2HG LYS 54 -3.987 3.628 4.390 415 HD2 LYS 54 1HD LYS 54 -3.884 2.882 2.282 416 HD3 LYS 54 2HD LYS 54 -2.116 2.886 2.444 417 HE2 LYS 54 1HE LYS 54 -2.290 0.593 3.449 418 HE3 LYS 54 2HE LYS 54 -3.995 0.602 3.011 419 HZ1 LYS 54 3HZ LYS 54 -2.684 -0.528 1.349 420 HZ2 LYS 54 1HZ LYS 54 -1.711 0.838 1.134 421 HZ3 LYS 54 2HZ LYS 54 -3.344 0.885 0.694 422 H LEU 55 H LEU 55 1.536 3.982 3.730 423 HA LEU 55 HA LEU 55 2.694 4.389 6.408 424 HB2 LEU 55 1HB LEU 55 4.313 4.759 3.956 425 HB3 LEU 55 2HB LEU 55 4.792 4.214 5.553 426 HG LEU 55 HG LEU 55 3.429 2.646 3.402 427 HD11 LEU 55 1HD1 LEU 55 5.324 1.161 3.772 428 HD12 LEU 55 2HD1 LEU 55 5.893 2.248 5.043 429 HD13 LEU 55 3HD1 LEU 55 5.840 2.800 3.370 430 HD21 LEU 55 3HD2 LEU 55 3.717 1.859 6.291 431 HD22 LEU 55 1HD2 LEU 55 3.292 0.758 4.983 432 HD23 LEU 55 2HD2 LEU 55 2.213 2.085 5.407 433 H ASP 56 H ASP 56 4.256 6.391 6.435 434 HA ASP 56 HA ASP 56 2.902 8.603 5.018 435 HB2 ASP 56 1HB ASP 56 2.992 8.508 7.675 436 HB3 ASP 56 2HB ASP 56 4.606 9.170 7.392 437 H VAL 57 H VAL 57 4.049 9.535 3.528 438 HA VAL 57 HA VAL 57 6.649 8.634 2.890 439 HB VAL 57 HB VAL 57 4.561 9.877 1.597 440 HG11 VAL 57 1HG1 VAL 57 5.364 12.092 2.314 441 HG12 VAL 57 2HG1 VAL 57 5.381 11.890 0.559 442 HG13 VAL 57 3HG1 VAL 57 6.885 11.785 1.473 443 HG21 VAL 57 3HG2 VAL 57 7.356 9.347 0.646 444 HG22 VAL 57 1HG2 VAL 57 5.978 9.670 -0.407 445 HG23 VAL 57 2HG2 VAL 57 5.981 8.238 0.626 446 H ASP 58 H ASP 58 5.593 10.955 5.110 447 HA ASP 58 HA ASP 58 7.793 12.793 4.796 448 HB2 ASP 58 1HB ASP 58 5.635 13.527 5.718 449 HB3 ASP 58 2HB ASP 58 5.851 12.441 7.088 450 H GLU 59 H GLU 59 6.976 10.046 6.809 451 HA GLU 59 HA GLU 59 9.567 10.099 8.124 452 HB2 GLU 59 1HB GLU 59 7.326 8.068 8.243 453 HB3 GLU 59 2HB GLU 59 8.787 8.015 9.217 454 HG2 GLU 59 1HG GLU 59 8.140 10.193 10.206 455 HG3 GLU 59 2HG GLU 59 6.623 10.102 9.314 456 H LEU 60 H LEU 60 7.971 8.636 5.439 457 HA LEU 60 HA LEU 60 10.285 6.890 4.981 458 HB2 LEU 60 1HB LEU 60 7.354 6.431 4.455 459 HB3 LEU 60 2HB LEU 60 8.589 5.550 3.572 460 HG LEU 60 HG LEU 60 7.932 5.436 6.475 461 HD11 LEU 60 1HD1 LEU 60 8.349 3.298 4.439 462 HD12 LEU 60 2HD1 LEU 60 6.798 3.918 4.992 463 HD13 LEU 60 3HD1 LEU 60 7.858 3.069 6.115 464 HD21 LEU 60 3HD2 LEU 60 9.949 4.046 6.819 465 HD22 LEU 60 1HD2 LEU 60 10.306 5.742 6.504 466 HD23 LEU 60 2HD2 LEU 60 10.511 4.546 5.224 467 H GLY 61 H GLY 61 10.724 9.294 4.066 468 HA2 GLY 61 1HA GLY 61 9.768 9.672 1.377 469 HA3 GLY 61 2HA GLY 61 11.011 10.614 2.184 470 H ASP 62 H ASP 62 12.704 8.439 2.882 471 HA ASP 62 HA ASP 62 14.206 8.300 0.479 472 HB2 ASP 62 1HB ASP 62 15.276 8.334 2.695 473 HB3 ASP 62 2HB ASP 62 14.581 6.758 3.052 474 H VAL 63 H VAL 63 12.383 5.865 2.321 475 HA VAL 63 HA VAL 63 12.867 3.722 0.571 476 HB VAL 63 HB VAL 63 11.996 3.271 2.780 477 HG11 VAL 63 1HG1 VAL 63 9.415 4.555 1.962 478 HG12 VAL 63 2HG1 VAL 63 10.639 5.349 2.947 479 HG13 VAL 63 3HG1 VAL 63 9.840 3.895 3.545 480 HG21 VAL 63 3HG2 VAL 63 10.023 2.546 0.633 481 HG22 VAL 63 1HG2 VAL 63 10.108 1.787 2.223 482 HG23 VAL 63 2HG2 VAL 63 11.458 1.629 1.097 483 H ALA 64 H ALA 64 10.342 6.179 0.636 484 HA ALA 64 HA ALA 64 8.803 5.289 -1.499 485 HB1 ALA 64 1HB ALA 64 9.419 8.132 -0.709 486 HB2 ALA 64 2HB ALA 64 8.126 7.126 -0.053 487 HB3 ALA 64 3HB ALA 64 8.089 7.616 -1.745 488 H GLN 65 H GLN 65 11.831 7.088 -1.469 489 HA GLN 65 HA GLN 65 11.740 7.656 -4.282 490 HB2 GLN 65 1HB GLN 65 13.945 7.944 -2.239 491 HB3 GLN 65 2HB GLN 65 14.107 8.427 -3.925 492 HG2 GLN 65 1HG GLN 65 12.213 9.975 -3.631 493 HG3 GLN 65 2HG GLN 65 12.140 9.528 -1.929 494 HE21 GLN 65 1HE2 GLN 65 15.072 9.352 -1.732 495 HE22 GLN 65 2HE2 GLN 65 15.628 10.988 -1.687 496 H LYS 66 H LYS 66 13.162 5.192 -2.231 497 HA LYS 66 HA LYS 66 14.782 3.900 -4.066 498 HB2 LYS 66 1HB LYS 66 13.048 2.727 -1.894 499 HB3 LYS 66 2HB LYS 66 14.353 1.882 -2.704 500 HG2 LYS 66 1HG LYS 66 15.812 3.848 -1.843 501 HG3 LYS 66 2HG LYS 66 14.471 4.092 -0.720 502 HD2 LYS 66 1HD LYS 66 16.096 1.570 -1.054 503 HD3 LYS 66 2HD LYS 66 16.172 2.693 0.302 504 HE2 LYS 66 1HE LYS 66 13.940 2.133 0.971 505 HE3 LYS 66 2HE LYS 66 13.689 1.177 -0.488 506 HZ1 LYS 66 3HZ LYS 66 15.588 0.560 1.709 507 HZ2 LYS 66 1HZ LYS 66 15.432 -0.337 0.285 508 HZ3 LYS 66 2HZ LYS 66 14.144 -0.256 1.374 509 H ASN 67 H ASN 67 11.337 3.753 -3.507 510 HA ASN 67 HA ASN 67 10.965 1.750 -5.586 511 HB2 ASN 67 1HB ASN 67 9.049 3.051 -3.641 512 HB3 ASN 67 2HB ASN 67 8.554 1.884 -4.864 513 HD21 ASN 67 1HD2 ASN 67 10.420 2.358 -1.937 514 HD22 ASN 67 2HD2 ASN 67 10.547 0.683 -1.521 515 H GLU 68 H GLU 68 11.599 4.825 -5.713 516 HA GLU 68 HA GLU 68 11.301 6.523 -7.170 517 HB2 GLU 68 1HB GLU 68 10.255 4.280 -8.903 518 HB3 GLU 68 2HB GLU 68 10.695 5.881 -9.485 519 HG2 GLU 68 1HG GLU 68 12.986 5.542 -8.858 520 HG3 GLU 68 2HG GLU 68 12.590 4.009 -8.085 521 H VAL 69 H VAL 69 9.378 6.454 -5.297 522 HA VAL 69 HA VAL 69 6.761 6.598 -6.516 523 HB VAL 69 HB VAL 69 7.712 7.000 -3.683 524 HG11 VAL 69 1HG1 VAL 69 5.779 8.442 -4.079 525 HG12 VAL 69 2HG1 VAL 69 5.361 7.094 -3.021 526 HG13 VAL 69 3HG1 VAL 69 4.878 7.068 -4.718 527 HG21 VAL 69 3HG2 VAL 69 7.756 4.704 -4.517 528 HG22 VAL 69 1HG2 VAL 69 6.056 4.834 -4.967 529 HG23 VAL 69 2HG2 VAL 69 6.526 4.912 -3.269 530 H SER 70 H SER 70 5.931 8.352 -7.365 531 HA SER 70 HA SER 70 6.647 10.971 -6.262 532 HB2 SER 70 1HB SER 70 6.499 11.828 -8.676 533 HB3 SER 70 2HB SER 70 7.946 10.921 -8.238 534 HG SER 70 HG SER 70 7.382 9.363 -9.544 535 H ALA 71 H ALA 71 4.361 8.975 -8.042 536 HA ALA 71 HA ALA 71 2.246 10.949 -7.788 537 HB1 ALA 71 1HB ALA 71 0.854 9.283 -8.931 538 HB2 ALA 71 2HB ALA 71 2.182 8.127 -8.857 539 HB3 ALA 71 3HB ALA 71 2.346 9.598 -9.815 540 H MET 72 H MET 72 1.015 11.101 -6.020 541 HA MET 72 HA MET 72 1.110 8.869 -4.120 542 HB2 MET 72 1HB MET 72 0.734 10.443 -2.359 543 HB3 MET 72 2HB MET 72 2.006 11.095 -3.382 544 HG2 MET 72 1HG MET 72 -0.888 11.921 -3.443 545 HG3 MET 72 2HG MET 72 0.418 12.805 -2.661 546 HE1 MET 72 3HE MET 72 -1.728 13.848 -4.894 547 HE2 MET 72 1HE MET 72 -0.695 14.902 -5.860 548 HE3 MET 72 2HE MET 72 -0.577 14.925 -4.101 549 HA PRO 73 HA PRO 73 0.283 7.951 -2.674 550 HB2 PRO 73 1HB PRO 73 -1.222 5.842 -2.026 551 HB3 PRO 73 2HB PRO 73 -1.505 7.424 -1.289 552 HG2 PRO 73 1HG PRO 73 -2.995 6.065 -3.493 553 HG3 PRO 73 2HG PRO 73 -3.621 7.032 -2.147 554 HD2 PRO 73 1HD PRO 73 -3.230 7.965 -4.728 555 HD3 PRO 73 2HD PRO 73 -3.344 8.984 -3.282 556 H THR 74 H THR 74 1.254 5.751 -2.833 557 HA THR 74 HA THR 74 0.921 4.591 -5.504 558 HB THR 74 HB THR 74 3.422 4.553 -3.801 559 HG1 THR 74 1HG THR 74 2.447 6.464 -5.396 560 HG21 THR 74 3HG2 THR 74 4.505 3.640 -5.792 561 HG22 THR 74 1HG2 THR 74 2.962 3.652 -6.647 562 HG23 THR 74 2HG2 THR 74 3.192 2.590 -5.259 563 H LEU 75 H LEU 75 -0.027 2.662 -5.448 564 HA LEU 75 HA LEU 75 -0.031 1.188 -2.916 565 HB2 LEU 75 1HB LEU 75 -1.952 1.487 -5.159 566 HB3 LEU 75 2HB LEU 75 -1.904 -0.042 -4.308 567 HG LEU 75 HG LEU 75 -3.658 1.470 -3.450 568 HD11 LEU 75 1HD1 LEU 75 -3.078 1.284 -1.071 569 HD12 LEU 75 2HD1 LEU 75 -1.422 0.884 -1.524 570 HD13 LEU 75 3HD1 LEU 75 -2.742 -0.195 -1.969 571 HD21 LEU 75 3HD2 LEU 75 -3.016 3.446 -2.146 572 HD22 LEU 75 1HD2 LEU 75 -2.586 3.606 -3.848 573 HD23 LEU 75 2HD2 LEU 75 -1.343 3.227 -2.658 574 H LEU 76 H LEU 76 1.493 -0.302 -2.889 575 HA LEU 76 HA LEU 76 1.704 -2.054 -5.245 576 HB2 LEU 76 1HB LEU 76 4.007 -1.498 -3.379 577 HB3 LEU 76 2HB LEU 76 4.057 -2.222 -4.972 578 HG LEU 76 HG LEU 76 3.405 0.679 -4.458 579 HD11 LEU 76 1HD1 LEU 76 6.000 -0.598 -5.310 580 HD12 LEU 76 2HD1 LEU 76 5.687 0.208 -3.773 581 HD13 LEU 76 3HD1 LEU 76 5.672 1.134 -5.273 582 HD21 LEU 76 3HD2 LEU 76 4.068 -0.829 -6.981 583 HD22 LEU 76 1HD2 LEU 76 3.832 0.914 -6.858 584 HD23 LEU 76 2HD2 LEU 76 2.488 -0.180 -6.536 585 H LEU 77 H LEU 77 0.869 -3.969 -4.691 586 HA LEU 77 HA LEU 77 1.352 -4.879 -1.959 587 HB2 LEU 77 1HB LEU 77 0.013 -6.882 -3.364 588 HB3 LEU 77 2HB LEU 77 -0.630 -5.819 -2.137 589 HG LEU 77 HG LEU 77 -0.613 -5.126 -5.074 590 HD11 LEU 77 1HD1 LEU 77 -1.908 -7.107 -4.837 591 HD12 LEU 77 2HD1 LEU 77 -3.058 -5.767 -4.857 592 HD13 LEU 77 3HD1 LEU 77 -2.626 -6.535 -3.329 593 HD21 LEU 77 3HD2 LEU 77 -2.131 -3.415 -4.530 594 HD22 LEU 77 1HD2 LEU 77 -0.871 -3.296 -3.302 595 HD23 LEU 77 2HD2 LEU 77 -2.418 -4.056 -2.915 596 H PHE 78 H PHE 78 2.846 -6.243 -1.451 597 HA PHE 78 HA PHE 78 4.318 -7.473 -3.652 598 HB2 PHE 78 1HB PHE 78 5.147 -6.384 -1.000 599 HB3 PHE 78 2HB PHE 78 6.106 -7.666 -1.715 600 HD1 PHE 78 1HD PHE 78 4.779 -4.260 -2.334 601 HD2 PHE 78 2HD PHE 78 7.697 -7.184 -3.353 602 HE1 PHE 78 1HE PHE 78 5.987 -2.584 -3.672 603 HE2 PHE 78 2HE PHE 78 8.910 -5.515 -4.691 604 HZ PHE 78 HZ PHE 78 8.055 -3.211 -4.854 605 H LYS 79 H LYS 79 5.156 -9.574 -3.408 606 HA LYS 79 HA LYS 79 4.055 -11.177 -1.221 607 HB2 LYS 79 1HB LYS 79 2.516 -11.365 -3.070 608 HB3 LYS 79 2HB LYS 79 3.831 -11.725 -4.178 609 HG2 LYS 79 1HG LYS 79 4.211 -13.841 -2.974 610 HG3 LYS 79 2HG LYS 79 2.858 -13.463 -1.909 611 HD2 LYS 79 1HD LYS 79 2.590 -13.651 -4.903 612 HD3 LYS 79 2HD LYS 79 2.356 -15.030 -3.832 613 HE2 LYS 79 1HE LYS 79 0.838 -12.464 -3.465 614 HE3 LYS 79 2HE LYS 79 0.283 -13.721 -4.566 615 HZ1 LYS 79 3HZ LYS 79 0.195 -15.267 -2.729 616 HZ2 LYS 79 1HZ LYS 79 -0.740 -13.903 -2.373 617 HZ3 LYS 79 2HZ LYS 79 0.783 -14.096 -1.662 618 H ASN 80 H ASN 80 5.775 -12.009 -0.265 619 HA ASN 80 HA ASN 80 7.859 -12.840 0.149 620 HB2 ASN 80 1HB ASN 80 7.686 -14.018 -2.629 621 HB3 ASN 80 2HB ASN 80 8.716 -14.568 -1.317 622 HD21 ASN 80 1HD2 ASN 80 5.640 -14.678 -2.747 623 HD22 ASN 80 2HD2 ASN 80 4.912 -15.784 -1.640 624 H GLY 81 H GLY 81 7.723 -10.208 -1.002 625 HA2 GLY 81 1HA GLY 81 9.139 -8.595 -1.820 626 HA3 GLY 81 2HA GLY 81 10.436 -9.766 -1.632 627 H LYS 82 H LYS 82 7.921 -10.911 -3.582 628 HA LYS 82 HA LYS 82 9.558 -10.422 -5.971 629 HB2 LYS 82 1HB LYS 82 9.470 -12.667 -6.078 630 HB3 LYS 82 2HB LYS 82 8.224 -12.748 -4.850 631 HG2 LYS 82 1HG LYS 82 6.504 -12.517 -6.497 632 HG3 LYS 82 2HG LYS 82 7.698 -12.221 -7.766 633 HD2 LYS 82 1HD LYS 82 8.615 -14.469 -7.417 634 HD3 LYS 82 2HD LYS 82 7.415 -14.763 -6.161 635 HE2 LYS 82 1HE LYS 82 6.715 -14.095 -9.011 636 HE3 LYS 82 2HE LYS 82 6.886 -15.742 -8.413 637 HZ1 LYS 82 3HZ LYS 82 4.576 -14.956 -8.437 638 HZ2 LYS 82 1HZ LYS 82 4.980 -13.748 -7.328 639 HZ3 LYS 82 2HZ LYS 82 5.093 -15.374 -6.883 640 H GLU 83 H GLU 83 7.034 -9.255 -4.415 641 HA GLU 83 HA GLU 83 5.419 -7.773 -4.903 642 HB2 GLU 83 1HB GLU 83 7.071 -7.021 -6.679 643 HB3 GLU 83 2HB GLU 83 6.174 -8.015 -7.812 644 HG2 GLU 83 1HG GLU 83 4.157 -6.661 -7.327 645 HG3 GLU 83 2HG GLU 83 5.147 -5.619 -6.305 646 H VAL 84 H VAL 84 3.310 -7.588 -6.242 647 HA VAL 84 HA VAL 84 2.536 -10.047 -7.554 648 HB VAL 84 HB VAL 84 1.870 -10.003 -5.031 649 HG11 VAL 84 1HG1 VAL 84 -0.530 -9.140 -4.858 650 HG12 VAL 84 2HG1 VAL 84 -0.131 -8.161 -6.272 651 HG13 VAL 84 3HG1 VAL 84 0.788 -7.966 -4.779 652 HG21 VAL 84 3HG2 VAL 84 -0.108 -11.334 -5.525 653 HG22 VAL 84 1HG2 VAL 84 1.245 -11.745 -6.581 654 HG23 VAL 84 2HG2 VAL 84 -0.077 -10.748 -7.192 655 H ALA 85 H ALA 85 2.025 -6.683 -6.786 656 HA ALA 85 HA ALA 85 0.957 -6.173 -9.415 657 HB1 ALA 85 1HB ALA 85 -1.124 -5.120 -8.658 658 HB2 ALA 85 2HB ALA 85 -0.809 -5.702 -7.024 659 HB3 ALA 85 3HB ALA 85 -1.100 -6.853 -8.328 660 H LYS 86 H LYS 86 0.536 -3.888 -9.783 661 HA LYS 86 HA LYS 86 1.609 -2.074 -7.799 662 HB2 LYS 86 1HB LYS 86 3.604 -2.551 -9.002 663 HB3 LYS 86 2HB LYS 86 2.775 -2.478 -10.548 664 HG2 LYS 86 1HG LYS 86 2.543 -0.096 -10.378 665 HG3 LYS 86 2HG LYS 86 3.195 -0.110 -8.738 666 HD2 LYS 86 1HD LYS 86 5.327 -0.927 -9.580 667 HD3 LYS 86 2HD LYS 86 4.678 -0.967 -11.218 668 HE2 LYS 86 1HE LYS 86 4.369 1.450 -11.163 669 HE3 LYS 86 2HE LYS 86 4.986 1.507 -9.511 670 HZ1 LYS 86 3HZ LYS 86 7.107 0.665 -10.323 671 HZ2 LYS 86 1HZ LYS 86 6.691 2.100 -11.116 672 HZ3 LYS 86 2HZ LYS 86 6.507 0.615 -11.904 673 H VAL 87 H VAL 87 0.135 -0.541 -7.579 674 HA VAL 87 HA VAL 87 -1.056 0.598 -10.028 675 HB VAL 87 HB VAL 87 -2.365 0.688 -7.306 676 HG11 VAL 87 1HG1 VAL 87 -3.363 1.279 -10.087 677 HG12 VAL 87 2HG1 VAL 87 -3.018 2.454 -8.817 678 HG13 VAL 87 3HG1 VAL 87 -4.350 1.312 -8.626 679 HG21 VAL 87 3HG2 VAL 87 -3.879 -1.062 -8.002 680 HG22 VAL 87 1HG2 VAL 87 -2.219 -1.658 -8.079 681 HG23 VAL 87 2HG2 VAL 87 -3.058 -1.197 -9.560 682 H VAL 88 H VAL 88 -0.846 2.784 -10.265 683 HA VAL 88 HA VAL 88 0.797 4.058 -8.180 684 HB VAL 88 HB VAL 88 1.112 4.838 -11.041 685 HG11 VAL 88 1HG1 VAL 88 3.386 5.306 -10.320 686 HG12 VAL 88 2HG1 VAL 88 3.040 4.609 -8.736 687 HG13 VAL 88 3HG1 VAL 88 2.220 6.086 -9.247 688 HG21 VAL 88 3HG2 VAL 88 2.558 2.474 -9.850 689 HG22 VAL 88 1HG2 VAL 88 2.691 3.098 -11.494 690 HG23 VAL 88 2HG2 VAL 88 1.190 2.330 -10.957 691 H GLY 89 H GLY 89 -1.302 4.870 -7.419 692 HA2 GLY 89 1HA GLY 89 -1.628 7.526 -7.781 693 HA3 GLY 89 2HA GLY 89 -2.651 6.839 -9.032 694 H ALA 90 H ALA 90 -4.270 8.065 -7.731 695 HA ALA 90 HA ALA 90 -5.079 6.994 -5.203 696 HB1 ALA 90 1HB ALA 90 -6.735 8.686 -7.060 697 HB2 ALA 90 2HB ALA 90 -5.485 9.350 -6.011 698 HB3 ALA 90 3HB ALA 90 -6.883 8.533 -5.309 699 H ASN 91 H ASN 91 -5.574 4.854 -5.308 700 HA ASN 91 HA ASN 91 -7.577 4.059 -7.307 701 HB2 ASN 91 1HB ASN 91 -6.506 1.849 -7.377 702 HB3 ASN 91 2HB ASN 91 -5.398 3.124 -7.870 703 HD21 ASN 91 1HD2 ASN 91 -4.947 0.411 -6.808 704 HD22 ASN 91 2HD2 ASN 91 -3.924 0.620 -5.434 705 HA PRO 92 HA PRO 92 -9.246 2.835 -3.100 706 HB2 PRO 92 1HB PRO 92 -11.689 4.167 -4.051 707 HB3 PRO 92 2HB PRO 92 -10.835 4.367 -2.520 708 HG2 PRO 92 1HG PRO 92 -10.860 6.278 -4.430 709 HG3 PRO 92 2HG PRO 92 -9.488 6.035 -3.334 710 HD2 PRO 92 1HD PRO 92 -9.806 5.204 -6.192 711 HD3 PRO 92 2HD PRO 92 -8.368 5.819 -5.349 712 H ALA 93 H ALA 93 -10.599 3.025 -6.365 713 HA ALA 93 HA ALA 93 -12.171 0.614 -5.950 714 HB1 ALA 93 1HB ALA 93 -13.111 2.472 -7.252 715 HB2 ALA 93 2HB ALA 93 -13.012 0.983 -8.189 716 HB3 ALA 93 3HB ALA 93 -11.831 2.267 -8.447 717 H ALA 94 H ALA 94 -9.359 1.677 -7.817 718 HA ALA 94 HA ALA 94 -9.048 -0.846 -9.138 719 HB1 ALA 94 1HB ALA 94 -8.329 1.122 -10.285 720 HB2 ALA 94 2HB ALA 94 -6.920 0.105 -9.969 721 HB3 ALA 94 3HB ALA 94 -7.217 1.535 -8.984 722 H ILE 95 H ILE 95 -7.978 0.412 -6.066 723 HA ILE 95 HA ILE 95 -5.860 -1.370 -5.635 724 HB ILE 95 HB ILE 95 -6.670 0.383 -3.947 725 HG12 ILE 95 1HG1 ILE 95 -5.762 -0.855 -2.069 726 HG13 ILE 95 2HG1 ILE 95 -6.167 -2.395 -2.821 727 HG21 ILE 95 1HG2 ILE 95 -8.252 -0.335 -2.257 728 HG22 ILE 95 2HG2 ILE 95 -8.507 -1.858 -3.122 729 HG23 ILE 95 3HG2 ILE 95 -9.010 -0.326 -3.852 730 HD11 ILE 95 3HD1 ILE 95 -4.491 -2.065 -4.501 731 HD12 ILE 95 1HD1 ILE 95 -3.771 -1.838 -2.910 732 HD13 ILE 95 2HD1 ILE 95 -4.159 -0.437 -3.910 733 H LYS 96 H LYS 96 -9.318 -1.742 -5.556 734 HA LYS 96 HA LYS 96 -9.463 -4.285 -4.449 735 HB2 LYS 96 1HB LYS 96 -11.356 -2.649 -4.876 736 HB3 LYS 96 2HB LYS 96 -11.333 -3.200 -6.548 737 HG2 LYS 96 1HG LYS 96 -13.032 -4.398 -5.399 738 HG3 LYS 96 2HG LYS 96 -11.690 -5.495 -5.726 739 HD2 LYS 96 1HD LYS 96 -10.859 -5.157 -3.434 740 HD3 LYS 96 2HD LYS 96 -12.248 -4.109 -3.110 741 HE2 LYS 96 1HE LYS 96 -12.342 -7.040 -3.811 742 HE3 LYS 96 2HE LYS 96 -12.672 -6.327 -2.236 743 HZ1 LYS 96 3HZ LYS 96 -14.722 -6.822 -3.332 744 HZ2 LYS 96 1HZ LYS 96 -14.261 -5.960 -4.713 745 HZ3 LYS 96 2HZ LYS 96 -14.550 -5.142 -3.265 746 H GLN 97 H GLN 97 -8.854 -3.184 -7.719 747 HA GLN 97 HA GLN 97 -8.931 -5.600 -9.093 748 HB2 GLN 97 1HB GLN 97 -8.647 -3.472 -10.242 749 HB3 GLN 97 2HB GLN 97 -7.103 -3.209 -9.455 750 HG2 GLN 97 1HG GLN 97 -7.389 -5.651 -11.116 751 HG3 GLN 97 2HG GLN 97 -7.317 -4.102 -11.948 752 HE21 GLN 97 1HE2 GLN 97 -5.556 -6.469 -10.146 753 HE22 GLN 97 2HE2 GLN 97 -3.989 -5.744 -10.318 754 H ALA 98 H ALA 98 -6.147 -4.051 -7.494 755 HA ALA 98 HA ALA 98 -4.503 -6.371 -7.829 756 HB1 ALA 98 1HB ALA 98 -4.036 -3.998 -6.014 757 HB2 ALA 98 2HB ALA 98 -3.606 -4.048 -7.721 758 HB3 ALA 98 3HB ALA 98 -2.811 -5.138 -6.583 759 H ILE 99 H ILE 99 -6.527 -5.151 -5.367 760 HA ILE 99 HA ILE 99 -5.410 -6.607 -3.204 761 HB ILE 99 HB ILE 99 -7.119 -4.441 -3.447 762 HG12 ILE 99 1HG1 ILE 99 -5.519 -4.663 -1.690 763 HG13 ILE 99 2HG1 ILE 99 -7.109 -4.450 -0.962 764 HG21 ILE 99 1HG2 ILE 99 -9.028 -6.065 -3.607 765 HG22 ILE 99 2HG2 ILE 99 -9.139 -4.793 -2.388 766 HG23 ILE 99 3HG2 ILE 99 -8.706 -6.441 -1.912 767 HD11 ILE 99 3HD1 ILE 99 -5.459 -6.929 -1.130 768 HD12 ILE 99 1HD1 ILE 99 -7.207 -7.004 -0.887 769 HD13 ILE 99 2HD1 ILE 99 -6.175 -6.160 0.300 770 H ALA 100 H ALA 100 -8.244 -7.086 -5.234 771 HA ALA 100 HA ALA 100 -8.999 -9.393 -3.664 772 HB1 ALA 100 1HB ALA 100 -10.391 -8.227 -6.074 773 HB2 ALA 100 2HB ALA 100 -10.722 -7.796 -4.399 774 HB3 ALA 100 3HB ALA 100 -11.038 -9.436 -4.964 775 H ALA 101 H ALA 101 -7.876 -8.619 -6.926 776 HA ALA 101 HA ALA 101 -8.205 -11.223 -7.991 777 HB1 ALA 101 1HB ALA 101 -6.887 -10.469 -9.850 778 HB2 ALA 101 2HB ALA 101 -6.272 -9.103 -8.919 779 HB3 ALA 101 3HB ALA 101 -7.980 -9.173 -9.366 780 H ASN 102 H ASN 102 -5.524 -9.581 -6.390 781 HA ASN 102 HA ASN 102 -3.796 -11.862 -7.019 782 HB2 ASN 102 1HB ASN 102 -3.155 -9.224 -5.707 783 HB3 ASN 102 2HB ASN 102 -1.978 -10.456 -6.166 784 HD21 ASN 102 1HD2 ASN 102 -2.588 -7.639 -7.046 785 HD22 ASN 102 2HD2 ASN 102 -2.666 -7.743 -8.776 786 H ALA 103 H ALA 103 -4.544 -9.967 -4.090 787 HA ALA 103 HA ALA 103 -3.603 -11.946 -2.302 788 HB1 ALA 103 1HB ALA 103 -5.728 -9.952 -1.595 789 HB2 ALA 103 2HB ALA 103 -4.060 -9.462 -1.848 790 HB3 ALA 103 3HB ALA 103 -4.453 -10.622 -0.576 Start of MODEL 7 1 H1 MET 1 1H MET 1 -9.039 -0.508 10.464 2 H2 MET 1 2H MET 1 -9.373 0.197 11.966 3 H3 MET 1 3H MET 1 -8.288 -1.094 11.862 4 HA MET 1 HA MET 1 -7.879 1.556 10.620 5 HB2 MET 1 1HB MET 1 -7.777 1.682 13.073 6 HB3 MET 1 2HB MET 1 -6.633 0.349 13.102 7 HG2 MET 1 1HG MET 1 -5.053 1.752 11.795 8 HG3 MET 1 2HG MET 1 -6.187 3.091 11.949 9 HE1 MET 1 3HE MET 1 -6.854 4.202 14.262 10 HE2 MET 1 1HE MET 1 -6.197 3.704 15.819 11 HE3 MET 1 2HE MET 1 -7.284 2.631 14.938 12 H VAL 2 H VAL 2 -6.046 1.740 9.398 13 HA VAL 2 HA VAL 2 -4.652 -0.777 8.788 14 HB VAL 2 HB VAL 2 -4.709 1.756 7.148 15 HG11 VAL 2 1HG1 VAL 2 -3.980 0.099 5.374 16 HG12 VAL 2 2HG1 VAL 2 -3.630 -1.001 6.705 17 HG13 VAL 2 3HG1 VAL 2 -2.787 0.544 6.591 18 HG21 VAL 2 3HG2 VAL 2 -6.946 0.726 7.363 19 HG22 VAL 2 1HG2 VAL 2 -6.282 -0.781 6.733 20 HG23 VAL 2 2HG2 VAL 2 -6.315 0.664 5.718 21 H THR 3 H THR 3 -2.576 -1.030 9.209 22 HA THR 3 HA THR 3 -1.372 0.762 11.064 23 HB THR 3 HB THR 3 -0.870 -1.922 10.007 24 HG1 THR 3 1HG THR 3 -1.639 -1.532 12.101 25 HG21 THR 3 3HG2 THR 3 1.492 -2.026 10.547 26 HG22 THR 3 1HG2 THR 3 1.506 -0.302 10.925 27 HG23 THR 3 2HG2 THR 3 1.216 -0.838 9.264 28 H GLN 4 H GLN 4 0.368 1.952 10.944 29 HA GLN 4 HA GLN 4 1.391 2.715 8.308 30 HB2 GLN 4 1HB GLN 4 2.343 4.644 9.648 31 HB3 GLN 4 2HB GLN 4 0.584 4.582 9.569 32 HG2 GLN 4 1HG GLN 4 0.396 3.786 11.766 33 HG3 GLN 4 2HG GLN 4 2.107 3.362 11.837 34 HE21 GLN 4 1HE2 GLN 4 3.638 4.935 12.151 35 HE22 GLN 4 2HE2 GLN 4 3.254 6.512 12.740 36 H PHE 5 H PHE 5 3.549 2.428 7.851 37 HA PHE 5 HA PHE 5 5.191 1.116 9.874 38 HB2 PHE 5 1HB PHE 5 5.655 1.561 6.924 39 HB3 PHE 5 2HB PHE 5 6.899 0.959 8.003 40 HD1 PHE 5 1HD PHE 5 5.064 -0.809 9.700 41 HD2 PHE 5 2HD PHE 5 5.498 -0.299 5.498 42 HE1 PHE 5 1HE PHE 5 4.299 -3.117 9.342 43 HE2 PHE 5 2HE PHE 5 4.735 -2.605 5.128 44 HZ PHE 5 HZ PHE 5 4.131 -4.017 7.058 45 H LYS 6 H LYS 6 7.368 1.918 10.217 46 HA LYS 6 HA LYS 6 7.431 4.853 10.089 47 HB2 LYS 6 1HB LYS 6 8.646 4.750 12.277 48 HB3 LYS 6 2HB LYS 6 6.967 4.217 12.351 49 HG2 LYS 6 1HG LYS 6 7.812 1.865 12.162 50 HG3 LYS 6 2HG LYS 6 9.445 2.504 12.339 51 HD2 LYS 6 1HD LYS 6 8.867 3.427 14.515 52 HD3 LYS 6 2HD LYS 6 7.208 2.849 14.333 53 HE2 LYS 6 1HE LYS 6 8.088 0.534 14.184 54 HE3 LYS 6 2HE LYS 6 9.701 1.163 14.509 55 HZ1 LYS 6 3HZ LYS 6 8.875 2.013 16.633 56 HZ2 LYS 6 1HZ LYS 6 8.704 0.335 16.522 57 HZ3 LYS 6 2HZ LYS 6 7.357 1.334 16.321 58 H THR 7 H THR 7 9.017 1.945 9.369 59 HA THR 7 HA THR 7 11.346 3.448 8.467 60 HB THR 7 HB THR 7 12.793 1.489 8.992 61 HG1 THR 7 1HG THR 7 11.355 0.496 11.013 62 HG21 THR 7 3HG2 THR 7 13.035 2.014 11.385 63 HG22 THR 7 1HG2 THR 7 11.492 2.868 11.339 64 HG23 THR 7 2HG2 THR 7 12.859 3.467 10.401 65 H ALA 8 H ALA 8 12.310 2.735 6.579 66 HA ALA 8 HA ALA 8 10.851 1.301 4.671 67 HB1 ALA 8 1HB ALA 8 12.811 2.734 4.166 68 HB2 ALA 8 2HB ALA 8 12.936 1.136 3.434 69 HB3 ALA 8 3HB ALA 8 13.864 1.517 4.885 70 H SER 9 H SER 9 13.002 0.328 7.234 71 HA SER 9 HA SER 9 13.380 -2.370 6.655 72 HB2 SER 9 1HB SER 9 14.653 -1.344 8.410 73 HB3 SER 9 2HB SER 9 13.193 -0.894 9.286 74 HG SER 9 HG SER 9 14.057 -3.556 8.785 75 H GLU 10 H GLU 10 10.765 -0.762 8.495 76 HA GLU 10 HA GLU 10 9.419 -3.142 9.219 77 HB2 GLU 10 1HB GLU 10 8.429 -0.320 8.826 78 HB3 GLU 10 2HB GLU 10 7.373 -1.619 9.362 79 HG2 GLU 10 1HG GLU 10 9.860 -0.698 10.783 80 HG3 GLU 10 2HG GLU 10 8.209 -0.261 11.217 81 H PHE 11 H PHE 11 9.124 -1.040 6.433 82 HA PHE 11 HA PHE 11 7.013 -2.428 5.162 83 HB2 PHE 11 1HB PHE 11 7.290 -0.232 4.492 84 HB3 PHE 11 2HB PHE 11 9.036 -0.372 4.349 85 HD1 PHE 11 2HD PHE 11 5.818 -1.075 2.730 86 HD2 PHE 11 1HD PHE 11 10.046 -1.069 2.317 87 HE1 PHE 11 2HE PHE 11 5.571 -1.353 0.298 88 HE2 PHE 11 1HE PHE 11 9.812 -1.346 -0.118 89 HZ PHE 11 HZ PHE 11 7.572 -1.488 -1.131 90 H ASP 12 H ASP 12 10.539 -2.536 4.765 91 HA ASP 12 HA ASP 12 10.601 -4.302 2.591 92 HB2 ASP 12 1HB ASP 12 12.546 -2.980 3.286 93 HB3 ASP 12 2HB ASP 12 12.676 -3.938 4.757 94 H SER 13 H SER 13 10.676 -4.950 6.073 95 HA SER 13 HA SER 13 11.129 -7.728 5.797 96 HB2 SER 13 1HB SER 13 11.560 -6.444 7.890 97 HB3 SER 13 2HB SER 13 9.818 -6.282 8.114 98 HG SER 13 HG SER 13 11.127 -8.785 7.861 99 H ALA 14 H ALA 14 8.182 -5.790 6.053 100 HA ALA 14 HA ALA 14 6.389 -7.966 6.215 101 HB1 ALA 14 1HB ALA 14 4.672 -6.348 5.488 102 HB2 ALA 14 2HB ALA 14 5.949 -5.178 5.156 103 HB3 ALA 14 3HB ALA 14 5.670 -5.734 6.807 104 H ILE 15 H ILE 15 7.496 -6.020 3.458 105 HA ILE 15 HA ILE 15 5.919 -7.393 1.558 106 HB ILE 15 HB ILE 15 7.262 -6.259 -0.135 107 HG12 ILE 15 1HG1 ILE 15 8.905 -5.118 2.113 108 HG13 ILE 15 2HG1 ILE 15 9.419 -6.533 1.207 109 HG21 ILE 15 1HG2 ILE 15 6.572 -4.497 2.215 110 HG22 ILE 15 2HG2 ILE 15 5.452 -5.049 0.970 111 HG23 ILE 15 3HG2 ILE 15 6.773 -3.959 0.548 112 HD11 ILE 15 3HD1 ILE 15 9.409 -5.216 -0.844 113 HD12 ILE 15 1HD1 ILE 15 10.469 -4.509 0.376 114 HD13 ILE 15 2HD1 ILE 15 8.884 -3.801 0.069 115 H ALA 16 H ALA 16 8.881 -8.207 3.097 116 HA ALA 16 HA ALA 16 9.791 -9.954 0.976 117 HB1 ALA 16 1HB ALA 16 10.785 -9.724 3.810 118 HB2 ALA 16 2HB ALA 16 11.394 -8.787 2.442 119 HB3 ALA 16 3HB ALA 16 11.598 -10.540 2.474 120 H GLN 17 H GLN 17 7.573 -10.115 3.476 121 HA GLN 17 HA GLN 17 7.866 -12.837 4.217 122 HB2 GLN 17 1HB GLN 17 5.543 -10.923 4.460 123 HB3 GLN 17 2HB GLN 17 5.507 -12.562 5.093 124 HG2 GLN 17 1HG GLN 17 7.381 -12.050 6.559 125 HG3 GLN 17 2HG GLN 17 7.452 -10.414 5.906 126 HE21 GLN 17 1HE2 GLN 17 5.647 -12.640 7.883 127 HE22 GLN 17 2HE2 GLN 17 4.653 -11.454 8.658 128 H ASP 18 H ASP 18 6.572 -14.607 3.630 129 HA ASP 18 HA ASP 18 5.897 -14.689 0.834 130 HB2 ASP 18 1HB ASP 18 6.136 -16.623 3.052 131 HB3 ASP 18 2HB ASP 18 5.086 -17.082 1.720 132 H LYS 19 H LYS 19 4.278 -12.923 2.250 133 HA LYS 19 HA LYS 19 1.647 -14.119 1.754 134 HB2 LYS 19 1HB LYS 19 0.743 -13.467 3.734 135 HB3 LYS 19 2HB LYS 19 2.352 -13.918 4.248 136 HG2 LYS 19 1HG LYS 19 3.028 -11.697 4.513 137 HG3 LYS 19 2HG LYS 19 1.672 -11.081 3.562 138 HD2 LYS 19 1HD LYS 19 1.442 -12.455 6.236 139 HD3 LYS 19 2HD LYS 19 1.366 -10.711 5.978 140 HE2 LYS 19 1HE LYS 19 -0.639 -10.895 4.720 141 HE3 LYS 19 2HE LYS 19 -0.497 -12.650 4.617 142 HZ1 LYS 19 3HZ LYS 19 -2.131 -12.070 6.257 143 HZ2 LYS 19 1HZ LYS 19 -1.045 -11.046 7.061 144 HZ3 LYS 19 2HZ LYS 19 -0.789 -12.721 7.051 145 H LEU 20 H LEU 20 -0.039 -12.376 1.544 146 HA LEU 20 HA LEU 20 0.932 -10.393 -0.292 147 HB2 LEU 20 1HB LEU 20 -1.282 -11.719 -0.389 148 HB3 LEU 20 2HB LEU 20 -1.885 -10.571 0.783 149 HG LEU 20 HG LEU 20 -2.645 -9.901 -1.366 150 HD11 LEU 20 1HD1 LEU 20 -0.359 -8.110 -0.594 151 HD12 LEU 20 2HD1 LEU 20 -1.996 -8.060 0.059 152 HD13 LEU 20 3HD1 LEU 20 -1.713 -7.678 -1.638 153 HD21 LEU 20 3HD2 LEU 20 -1.271 -9.548 -3.270 154 HD22 LEU 20 1HD2 LEU 20 -0.932 -11.161 -2.647 155 HD23 LEU 20 2HD2 LEU 20 0.197 -9.841 -2.336 156 H VAL 21 H VAL 21 1.984 -8.710 0.552 157 HA VAL 21 HA VAL 21 0.702 -7.269 2.776 158 HB VAL 21 HB VAL 21 3.585 -7.255 1.856 159 HG11 VAL 21 1HG1 VAL 21 2.312 -5.482 3.944 160 HG12 VAL 21 2HG1 VAL 21 2.849 -4.954 2.350 161 HG13 VAL 21 3HG1 VAL 21 4.028 -5.541 3.529 162 HG21 VAL 21 3HG2 VAL 21 4.016 -7.980 4.154 163 HG22 VAL 21 1HG2 VAL 21 2.931 -9.094 3.322 164 HG23 VAL 21 2HG2 VAL 21 2.285 -7.944 4.492 165 H VAL 22 H VAL 22 -0.614 -5.778 1.994 166 HA VAL 22 HA VAL 22 0.224 -4.286 -0.361 167 HB VAL 22 HB VAL 22 -1.836 -4.930 -0.976 168 HG11 VAL 22 1HG1 VAL 22 -2.810 -4.868 1.859 169 HG12 VAL 22 2HG1 VAL 22 -2.178 -6.284 1.019 170 HG13 VAL 22 3HG1 VAL 22 -3.660 -5.515 0.452 171 HG21 VAL 22 3HG2 VAL 22 -2.568 -2.573 0.754 172 HG22 VAL 22 1HG2 VAL 22 -3.579 -3.253 -0.521 173 HG23 VAL 22 2HG2 VAL 22 -2.028 -2.515 -0.926 174 H VAL 23 H VAL 23 1.441 -2.685 0.194 175 HA VAL 23 HA VAL 23 0.762 -0.971 2.483 176 HB VAL 23 HB VAL 23 3.289 -1.230 0.832 177 HG11 VAL 23 1HG1 VAL 23 2.758 0.543 3.207 178 HG12 VAL 23 2HG1 VAL 23 2.971 1.081 1.542 179 HG13 VAL 23 3HG1 VAL 23 4.312 0.325 2.403 180 HG21 VAL 23 3HG2 VAL 23 2.751 -1.905 3.718 181 HG22 VAL 23 1HG2 VAL 23 4.268 -2.135 2.855 182 HG23 VAL 23 2HG2 VAL 23 2.846 -3.071 2.403 183 H ALA 24 H ALA 24 0.323 1.232 2.203 184 HA ALA 24 HA ALA 24 0.543 2.295 -0.530 185 HB1 ALA 24 1HB ALA 24 -1.851 1.803 0.284 186 HB2 ALA 24 2HB ALA 24 -1.504 3.351 -0.484 187 HB3 ALA 24 3HB ALA 24 -1.623 3.248 1.269 188 H PHE 25 H PHE 25 1.945 3.786 -0.661 189 HA PHE 25 HA PHE 25 2.834 5.313 1.568 190 HB2 PHE 25 1HB PHE 25 3.232 5.599 -1.409 191 HB3 PHE 25 2HB PHE 25 3.981 6.681 -0.237 192 HD1 PHE 25 1HD PHE 25 5.342 5.479 1.654 193 HD2 PHE 25 2HD PHE 25 4.400 3.742 -2.114 194 HE1 PHE 25 1HE PHE 25 7.216 3.910 1.910 195 HE2 PHE 25 2HE PHE 25 6.282 2.174 -1.867 196 HZ PHE 25 HZ PHE 25 7.687 2.254 0.151 197 H TYR 26 H TYR 26 2.033 7.123 2.366 198 HA TYR 26 HA TYR 26 -0.062 8.562 0.865 199 HB2 TYR 26 1HB TYR 26 0.274 7.999 3.814 200 HB3 TYR 26 2HB TYR 26 -0.712 9.341 3.253 201 HD1 TYR 26 2HD TYR 26 -0.923 6.476 1.096 202 HD2 TYR 26 1HD TYR 26 -2.369 8.160 4.722 203 HE1 TYR 26 2HE TYR 26 -2.858 4.956 1.035 204 HE2 TYR 26 1HE TYR 26 -4.294 6.646 4.674 205 HH TYR 26 HH TYR 26 -5.554 5.346 3.069 206 H ALA 27 H ALA 27 -0.260 10.838 2.008 207 HA ALA 27 HA ALA 27 2.242 11.858 3.024 208 HB1 ALA 27 1HB ALA 27 2.565 12.182 0.642 209 HB2 ALA 27 2HB ALA 27 2.288 13.743 1.414 210 HB3 ALA 27 3HB ALA 27 0.995 12.966 0.505 211 H THR 28 H THR 28 1.850 13.305 4.559 212 HA THR 28 HA THR 28 -0.691 13.637 5.627 213 HB THR 28 HB THR 28 1.488 15.576 6.156 214 HG1 THR 28 1HG THR 28 1.589 12.833 6.395 215 HG21 THR 28 3HG2 THR 28 0.687 15.371 8.469 216 HG22 THR 28 1HG2 THR 28 -0.518 14.200 7.934 217 HG23 THR 28 2HG2 THR 28 -0.602 15.871 7.375 218 H TRP 29 H TRP 29 0.931 15.461 3.211 219 HA TRP 29 HA TRP 29 -0.891 17.723 3.446 220 HB2 TRP 29 1HB TRP 29 0.619 18.765 1.761 221 HB3 TRP 29 2HB TRP 29 1.432 18.298 3.252 222 HD1 TRP 29 HD TRP 29 1.052 17.205 -0.383 223 HE1 TRP 29 1HE TRP 29 3.096 15.759 -1.039 224 HE3 TRP 29 3HE TRP 29 3.267 16.861 4.194 225 HZ2 TRP 29 2HZ TRP 29 5.341 14.627 0.251 226 HZ3 TRP 29 3HZ TRP 29 5.357 15.578 4.409 227 HH2 TRP 29 HH TRP 29 6.371 14.485 2.476 228 H CYS 30 H CYS 30 -1.281 14.856 2.156 229 HA CYS 30 HA CYS 30 -2.245 15.824 -0.444 230 HB2 CYS 30 1HB CYS 30 -1.213 14.060 -1.282 231 HB3 CYS 30 2HB CYS 30 -0.798 13.474 0.326 232 H GLY 31 H GLY 31 -4.280 15.618 -1.071 233 HA2 GLY 31 1HA GLY 31 -6.284 15.148 0.942 234 HA3 GLY 31 2HA GLY 31 -6.550 15.706 -0.696 235 HA PRO 32 HA PRO 32 -7.589 11.661 -2.129 236 HB2 PRO 32 1HB PRO 32 -5.037 10.581 -3.100 237 HB3 PRO 32 2HB PRO 32 -6.504 10.962 -4.003 238 HG2 PRO 32 1HG PRO 32 -4.292 12.441 -4.256 239 HG3 PRO 32 2HG PRO 32 -5.907 13.177 -4.298 240 HD2 PRO 32 1HD PRO 32 -3.958 13.021 -2.017 241 HD3 PRO 32 2HD PRO 32 -4.882 14.417 -2.570 242 H CYS 33 H CYS 33 -4.532 11.579 -0.425 243 HA CYS 33 HA CYS 33 -4.467 8.995 0.592 244 HB2 CYS 33 1HB CYS 33 -3.845 11.511 2.164 245 HB3 CYS 33 2HB CYS 33 -3.239 9.894 2.494 246 H LYS 34 H LYS 34 -6.387 11.752 1.620 247 HA LYS 34 HA LYS 34 -7.473 10.488 3.906 248 HB2 LYS 34 1HB LYS 34 -8.244 12.906 2.308 249 HB3 LYS 34 2HB LYS 34 -9.313 12.295 3.562 250 HG2 LYS 34 1HG LYS 34 -7.942 14.068 4.442 251 HG3 LYS 34 2HG LYS 34 -7.505 12.540 5.207 252 HD2 LYS 34 1HD LYS 34 -5.591 12.346 3.670 253 HD3 LYS 34 2HD LYS 34 -6.020 13.906 2.964 254 HE2 LYS 34 1HE LYS 34 -5.708 14.966 5.151 255 HE3 LYS 34 2HE LYS 34 -5.249 13.408 5.836 256 HZ1 LYS 34 3HZ LYS 34 -3.331 14.792 5.260 257 HZ2 LYS 34 1HZ LYS 34 -3.813 14.789 3.635 258 HZ3 LYS 34 2HZ LYS 34 -3.349 13.344 4.385 259 H MET 35 H MET 35 -8.899 11.095 0.656 260 HA MET 35 HA MET 35 -11.355 9.913 1.241 261 HB2 MET 35 1HB MET 35 -11.725 9.680 -1.152 262 HB3 MET 35 2HB MET 35 -11.023 11.242 -0.767 263 HG2 MET 35 1HG MET 35 -8.843 10.423 -1.491 264 HG3 MET 35 2HG MET 35 -9.563 8.864 -1.872 265 HE1 MET 35 3HE MET 35 -11.179 12.432 -2.488 266 HE2 MET 35 1HE MET 35 -10.563 12.782 -4.102 267 HE3 MET 35 2HE MET 35 -9.451 12.675 -2.738 268 H ILE 36 H ILE 36 -8.515 8.283 -0.221 269 HA ILE 36 HA ILE 36 -9.965 5.821 -0.296 270 HB ILE 36 HB ILE 36 -8.486 5.409 -1.889 271 HG12 ILE 36 1HG1 ILE 36 -7.632 4.137 0.307 272 HG13 ILE 36 2HG1 ILE 36 -6.893 3.918 -1.260 273 HG21 ILE 36 1HG2 ILE 36 -6.368 6.568 -2.227 274 HG22 ILE 36 2HG2 ILE 36 -6.567 7.363 -0.664 275 HG23 ILE 36 3HG2 ILE 36 -7.711 7.681 -1.967 276 HD11 ILE 36 3HD1 ILE 36 -5.930 5.776 0.911 277 HD12 ILE 36 1HD1 ILE 36 -5.150 5.525 -0.657 278 HD13 ILE 36 2HD1 ILE 36 -5.234 4.198 0.510 279 H ALA 37 H ALA 37 -8.108 7.422 2.131 280 HA ALA 37 HA ALA 37 -7.092 5.199 3.464 281 HB1 ALA 37 1HB ALA 37 -6.445 7.510 3.920 282 HB2 ALA 37 2HB ALA 37 -6.829 6.596 5.388 283 HB3 ALA 37 3HB ALA 37 -7.989 7.761 4.748 284 HA PRO 38 HA PRO 38 -11.250 4.727 6.000 285 HB2 PRO 38 1HB PRO 38 -13.372 5.924 4.632 286 HB3 PRO 38 2HB PRO 38 -12.683 6.468 6.164 287 HG2 PRO 38 1HG PRO 38 -12.155 7.432 3.397 288 HG3 PRO 38 2HG PRO 38 -12.252 8.353 4.911 289 HD2 PRO 38 1HD PRO 38 -9.900 7.806 3.792 290 HD3 PRO 38 2HD PRO 38 -10.100 7.753 5.555 291 H MET 39 H MET 39 -11.321 5.209 2.436 292 HA MET 39 HA MET 39 -13.061 3.033 1.945 293 HB2 MET 39 1HB MET 39 -10.934 4.248 0.187 294 HB3 MET 39 2HB MET 39 -12.065 3.020 -0.361 295 HG2 MET 39 1HG MET 39 -12.784 5.752 0.674 296 HG3 MET 39 2HG MET 39 -12.791 5.243 -1.013 297 HE1 MET 39 3HE MET 39 -16.606 5.657 -0.075 298 HE2 MET 39 1HE MET 39 -15.309 6.199 -1.139 299 HE3 MET 39 2HE MET 39 -15.269 6.604 0.575 300 H ILE 40 H ILE 40 -9.491 3.118 1.803 301 HA ILE 40 HA ILE 40 -9.002 0.455 1.334 302 HB ILE 40 HB ILE 40 -7.446 2.659 2.056 303 HG12 ILE 40 1HG1 ILE 40 -5.563 1.020 1.507 304 HG13 ILE 40 2HG1 ILE 40 -6.828 -0.189 1.312 305 HG21 ILE 40 1HG2 ILE 40 -6.860 0.378 3.899 306 HG22 ILE 40 2HG2 ILE 40 -7.537 1.933 4.380 307 HG23 ILE 40 3HG2 ILE 40 -5.906 1.849 3.711 308 HD11 ILE 40 3HD1 ILE 40 -7.868 1.379 -0.384 309 HD12 ILE 40 1HD1 ILE 40 -6.337 0.619 -0.835 310 HD13 ILE 40 2HD1 ILE 40 -6.357 2.292 -0.287 311 H GLU 41 H GLU 41 -9.874 1.986 4.378 312 HA GLU 41 HA GLU 41 -9.517 -0.228 6.062 313 HB2 GLU 41 1HB GLU 41 -11.587 1.966 6.171 314 HB3 GLU 41 2HB GLU 41 -11.365 0.775 7.445 315 HG2 GLU 41 1HG GLU 41 -9.027 1.550 7.697 316 HG3 GLU 41 2HG GLU 41 -9.359 2.812 6.512 317 H LYS 42 H LYS 42 -12.396 0.721 4.178 318 HA LYS 42 HA LYS 42 -13.908 -1.553 4.845 319 HB2 LYS 42 1HB LYS 42 -15.075 0.255 3.839 320 HB3 LYS 42 2HB LYS 42 -13.962 0.317 2.482 321 HG2 LYS 42 1HG LYS 42 -16.182 -0.601 1.907 322 HG3 LYS 42 2HG LYS 42 -14.856 -1.716 1.579 323 HD2 LYS 42 1HD LYS 42 -15.331 -2.946 3.585 324 HD3 LYS 42 2HD LYS 42 -16.582 -1.788 4.050 325 HE2 LYS 42 1HE LYS 42 -16.603 -3.638 1.670 326 HE3 LYS 42 2HE LYS 42 -17.613 -3.757 3.108 327 HZ1 LYS 42 3HZ LYS 42 -18.652 -1.665 2.514 328 HZ2 LYS 42 1HZ LYS 42 -18.815 -2.784 1.258 329 HZ3 LYS 42 2HZ LYS 42 -17.681 -1.538 1.135 330 H PHE 43 H PHE 43 -11.762 -0.924 2.130 331 HA PHE 43 HA PHE 43 -12.106 -3.461 1.029 332 HB2 PHE 43 1HB PHE 43 -9.933 -1.432 0.608 333 HB3 PHE 43 2HB PHE 43 -10.035 -2.963 -0.261 334 HD1 PHE 43 2HD PHE 43 -12.047 0.051 0.518 335 HD2 PHE 43 1HD PHE 43 -11.255 -3.094 -2.231 336 HE1 PHE 43 2HE PHE 43 -13.618 1.067 -1.079 337 HE2 PHE 43 1HE PHE 43 -12.838 -2.088 -3.828 338 HZ PHE 43 HZ PHE 43 -14.017 -0.008 -3.256 339 H SER 44 H SER 44 -10.247 -2.397 3.751 340 HA SER 44 HA SER 44 -8.339 -4.541 3.586 341 HB2 SER 44 1HB SER 44 -7.567 -3.825 5.746 342 HB3 SER 44 2HB SER 44 -7.811 -2.392 4.762 343 HG SER 44 HG SER 44 -10.047 -2.590 5.925 344 H GLU 45 H GLU 45 -11.502 -4.089 4.563 345 HA GLU 45 HA GLU 45 -11.671 -6.458 6.223 346 HB2 GLU 45 1HB GLU 45 -13.234 -4.564 6.522 347 HB3 GLU 45 2HB GLU 45 -13.825 -4.797 4.884 348 HG2 GLU 45 1HG GLU 45 -14.752 -6.936 5.476 349 HG3 GLU 45 2HG GLU 45 -14.055 -6.824 7.094 350 H GLN 46 H GLN 46 -11.720 -5.528 2.938 351 HA GLN 46 HA GLN 46 -12.764 -8.010 1.962 352 HB2 GLN 46 1HB GLN 46 -11.298 -5.944 0.357 353 HB3 GLN 46 2HB GLN 46 -12.431 -7.151 -0.233 354 HG2 GLN 46 1HG GLN 46 -13.066 -4.761 1.489 355 HG3 GLN 46 2HG GLN 46 -13.475 -4.998 -0.212 356 HE21 GLN 46 1HE2 GLN 46 -15.100 -6.448 -0.777 357 HE22 GLN 46 2HE2 GLN 46 -16.261 -7.016 0.372 358 H TYR 47 H TYR 47 -9.813 -7.108 3.150 359 HA TYR 47 HA TYR 47 -8.795 -9.641 2.180 360 HB2 TYR 47 1HB TYR 47 -6.443 -8.797 2.129 361 HB3 TYR 47 2HB TYR 47 -7.483 -8.336 0.808 362 HD1 TYR 47 1HD TYR 47 -8.524 -6.030 0.943 363 HD2 TYR 47 2HD TYR 47 -5.121 -7.139 3.229 364 HE1 TYR 47 1HE TYR 47 -7.831 -3.667 1.057 365 HE2 TYR 47 2HE TYR 47 -4.445 -4.805 3.367 366 HH TYR 47 HH TYR 47 -6.484 -2.223 2.497 367 HA PRO 48 HA PRO 48 -8.259 -9.739 6.664 368 HB2 PRO 48 1HB PRO 48 -9.435 -12.346 6.637 369 HB3 PRO 48 2HB PRO 48 -10.123 -10.855 7.276 370 HG2 PRO 48 1HG PRO 48 -11.092 -12.223 5.079 371 HG3 PRO 48 2HG PRO 48 -11.393 -10.512 5.419 372 HD2 PRO 48 1HD PRO 48 -9.419 -11.757 3.550 373 HD3 PRO 48 2HD PRO 48 -10.393 -10.282 3.351 374 H GLN 49 H GLN 49 -7.427 -11.918 4.063 375 HA GLN 49 HA GLN 49 -5.586 -13.381 5.793 376 HB2 GLN 49 1HB GLN 49 -5.553 -15.093 4.265 377 HB3 GLN 49 2HB GLN 49 -7.166 -14.456 4.013 378 HG2 GLN 49 1HG GLN 49 -4.775 -13.818 2.309 379 HG3 GLN 49 2HG GLN 49 -5.988 -15.035 1.932 380 HE21 GLN 49 1HE2 GLN 49 -5.189 -11.705 1.921 381 HE22 GLN 49 2HE2 GLN 49 -6.605 -11.141 1.107 382 H ALA 50 H ALA 50 -5.544 -10.619 4.111 383 HA ALA 50 HA ALA 50 -2.656 -10.793 3.622 384 HB1 ALA 50 1HB ALA 50 -4.581 -8.927 2.240 385 HB2 ALA 50 2HB ALA 50 -3.984 -10.428 1.542 386 HB3 ALA 50 3HB ALA 50 -2.863 -9.117 1.907 387 H ASP 51 H ASP 51 -1.637 -8.575 3.893 388 HA ASP 51 HA ASP 51 -2.790 -7.456 6.343 389 HB2 ASP 51 1HB ASP 51 -0.055 -8.219 5.609 390 HB3 ASP 51 2HB ASP 51 -0.179 -6.662 6.422 391 H PHE 52 H PHE 52 -3.639 -5.574 6.185 392 HA PHE 52 HA PHE 52 -3.008 -3.770 4.041 393 HB2 PHE 52 1HB PHE 52 -4.660 -2.291 5.490 394 HB3 PHE 52 2HB PHE 52 -5.253 -3.598 4.480 395 HD1 PHE 52 1HD PHE 52 -6.083 -5.640 5.454 396 HD2 PHE 52 2HD PHE 52 -4.684 -2.458 7.897 397 HE1 PHE 52 1HE PHE 52 -7.202 -6.637 7.387 398 HE2 PHE 52 2HE PHE 52 -5.795 -3.461 9.849 399 HZ PHE 52 HZ PHE 52 -7.058 -5.559 9.595 400 H TYR 53 H TYR 53 -1.351 -2.331 4.139 401 HA TYR 53 HA TYR 53 -1.073 -0.835 6.664 402 HB2 TYR 53 1HB TYR 53 1.303 -1.555 4.931 403 HB3 TYR 53 2HB TYR 53 1.319 -0.789 6.521 404 HD1 TYR 53 2HD TYR 53 0.129 -2.279 8.399 405 HD2 TYR 53 1HD TYR 53 1.906 -3.775 4.849 406 HE1 TYR 53 2HE TYR 53 0.452 -4.451 9.493 407 HE2 TYR 53 1HE TYR 53 2.236 -5.962 5.931 408 HH TYR 53 HH TYR 53 0.690 -6.889 8.700 409 H LYS 54 H LYS 54 -0.727 1.357 6.413 410 HA LYS 54 HA LYS 54 -0.334 2.370 3.661 411 HB2 LYS 54 1HB LYS 54 -1.968 3.840 5.738 412 HB3 LYS 54 2HB LYS 54 -1.794 4.249 4.039 413 HG2 LYS 54 1HG LYS 54 -3.285 1.875 5.169 414 HG3 LYS 54 2HG LYS 54 -4.008 3.351 4.553 415 HD2 LYS 54 1HD LYS 54 -4.025 2.537 2.459 416 HD3 LYS 54 2HD LYS 54 -2.280 2.184 2.566 417 HE2 LYS 54 1HE LYS 54 -2.825 0.097 3.789 418 HE3 LYS 54 2HE LYS 54 -4.536 0.430 3.527 419 HZ1 LYS 54 3HZ LYS 54 -4.064 0.375 1.113 420 HZ2 LYS 54 1HZ LYS 54 -3.769 -1.103 1.883 421 HZ3 LYS 54 2HZ LYS 54 -2.478 -0.097 1.456 422 H LEU 55 H LEU 55 1.494 3.637 3.522 423 HA LEU 55 HA LEU 55 2.675 4.449 6.107 424 HB2 LEU 55 1HB LEU 55 4.144 4.618 3.520 425 HB3 LEU 55 2HB LEU 55 4.767 4.510 5.151 426 HG LEU 55 HG LEU 55 3.672 2.340 3.440 427 HD11 LEU 55 1HD1 LEU 55 5.725 1.256 4.057 428 HD12 LEU 55 2HD1 LEU 55 6.086 2.557 5.196 429 HD13 LEU 55 3HD1 LEU 55 6.067 2.881 3.461 430 HD21 LEU 55 3HD2 LEU 55 2.465 2.128 5.541 431 HD22 LEU 55 1HD2 LEU 55 3.989 2.210 6.418 432 HD23 LEU 55 2HD2 LEU 55 3.658 0.842 5.363 433 H ASP 56 H ASP 56 4.125 6.557 5.749 434 HA ASP 56 HA ASP 56 2.793 8.448 3.918 435 HB2 ASP 56 1HB ASP 56 2.203 8.801 6.421 436 HB3 ASP 56 2HB ASP 56 3.875 9.326 6.586 437 H VAL 57 H VAL 57 4.188 9.549 2.698 438 HA VAL 57 HA VAL 57 6.888 8.659 2.584 439 HB VAL 57 HB VAL 57 7.152 10.295 0.772 440 HG11 VAL 57 1HG1 VAL 57 6.105 8.149 0.270 441 HG12 VAL 57 2HG1 VAL 57 5.424 9.429 -0.734 442 HG13 VAL 57 3HG1 VAL 57 4.519 8.821 0.653 443 HG21 VAL 57 3HG2 VAL 57 5.405 11.828 0.155 444 HG22 VAL 57 1HG2 VAL 57 5.801 12.088 1.856 445 HG23 VAL 57 2HG2 VAL 57 4.346 11.193 1.415 446 H ASP 58 H ASP 58 5.409 10.947 4.557 447 HA ASP 58 HA ASP 58 7.425 12.956 4.580 448 HB2 ASP 58 1HB ASP 58 6.198 13.966 6.253 449 HB3 ASP 58 2HB ASP 58 4.962 12.982 5.476 450 H GLU 59 H GLU 59 6.933 9.948 6.305 451 HA GLU 59 HA GLU 59 9.583 10.295 7.536 452 HB2 GLU 59 1HB GLU 59 7.410 8.301 8.211 453 HB3 GLU 59 2HB GLU 59 8.968 8.418 9.015 454 HG2 GLU 59 1HG GLU 59 8.380 10.727 9.701 455 HG3 GLU 59 2HG GLU 59 6.777 10.480 9.011 456 H LEU 60 H LEU 60 7.716 8.458 5.271 457 HA LEU 60 HA LEU 60 9.972 6.628 4.847 458 HB2 LEU 60 1HB LEU 60 7.042 6.401 4.143 459 HB3 LEU 60 2HB LEU 60 8.264 5.372 3.409 460 HG LEU 60 HG LEU 60 7.307 4.123 5.171 461 HD11 LEU 60 1HD1 LEU 60 9.162 3.677 6.627 462 HD12 LEU 60 2HD1 LEU 60 9.867 5.254 6.279 463 HD13 LEU 60 3HD1 LEU 60 9.777 4.030 5.009 464 HD21 LEU 60 3HD2 LEU 60 7.792 6.473 6.993 465 HD22 LEU 60 1HD2 LEU 60 7.124 4.911 7.465 466 HD23 LEU 60 2HD2 LEU 60 6.227 5.957 6.364 467 H GLY 61 H GLY 61 10.621 8.995 3.903 468 HA2 GLY 61 1HA GLY 61 9.705 9.436 1.207 469 HA3 GLY 61 2HA GLY 61 11.002 10.293 2.025 470 H ASP 62 H ASP 62 12.575 8.030 2.697 471 HA ASP 62 HA ASP 62 14.041 7.827 0.275 472 HB2 ASP 62 1HB ASP 62 14.369 6.340 2.884 473 HB3 ASP 62 2HB ASP 62 15.526 6.305 1.559 474 H VAL 63 H VAL 63 12.064 5.527 2.116 475 HA VAL 63 HA VAL 63 12.479 3.357 0.356 476 HB VAL 63 HB VAL 63 11.607 2.938 2.587 477 HG11 VAL 63 1HG1 VAL 63 9.138 4.382 1.713 478 HG12 VAL 63 2HG1 VAL 63 10.312 4.940 2.908 479 HG13 VAL 63 3HG1 VAL 63 9.354 3.488 3.221 480 HG21 VAL 63 3HG2 VAL 63 11.064 1.305 0.901 481 HG22 VAL 63 1HG2 VAL 63 9.648 2.246 0.426 482 HG23 VAL 63 2HG2 VAL 63 9.706 1.484 2.017 483 H ALA 64 H ALA 64 10.039 5.891 0.484 484 HA ALA 64 HA ALA 64 8.424 5.127 -1.641 485 HB1 ALA 64 1HB ALA 64 7.925 6.989 -0.128 486 HB2 ALA 64 2HB ALA 64 7.806 7.467 -1.821 487 HB3 ALA 64 3HB ALA 64 9.218 7.931 -0.870 488 H GLN 65 H GLN 65 11.584 6.661 -1.637 489 HA GLN 65 HA GLN 65 11.529 7.375 -4.406 490 HB2 GLN 65 1HB GLN 65 13.786 7.180 -2.406 491 HB3 GLN 65 2HB GLN 65 14.010 7.713 -4.068 492 HG2 GLN 65 1HG GLN 65 12.424 9.551 -3.662 493 HG3 GLN 65 2HG GLN 65 12.290 9.035 -1.978 494 HE21 GLN 65 1HE2 GLN 65 13.082 10.982 -1.221 495 HE22 GLN 65 2HE2 GLN 65 14.748 11.422 -1.357 496 H LYS 66 H LYS 66 12.749 4.676 -2.523 497 HA LYS 66 HA LYS 66 14.107 3.305 -4.520 498 HB2 LYS 66 1HB LYS 66 12.562 2.230 -2.165 499 HB3 LYS 66 2HB LYS 66 13.754 1.334 -3.092 500 HG2 LYS 66 1HG LYS 66 15.330 3.291 -2.423 501 HG3 LYS 66 2HG LYS 66 14.127 3.555 -1.161 502 HD2 LYS 66 1HD LYS 66 15.596 0.966 -1.656 503 HD3 LYS 66 2HD LYS 66 15.994 2.138 -0.400 504 HE2 LYS 66 1HE LYS 66 13.709 1.814 0.533 505 HE3 LYS 66 2HE LYS 66 13.449 0.542 -0.657 506 HZ1 LYS 66 3HZ LYS 66 15.533 0.559 1.456 507 HZ2 LYS 66 1HZ LYS 66 15.342 -0.648 0.289 508 HZ3 LYS 66 2HZ LYS 66 14.137 -0.395 1.443 509 H ASN 67 H ASN 67 10.723 3.393 -3.638 510 HA ASN 67 HA ASN 67 10.057 1.381 -5.631 511 HB2 ASN 67 1HB ASN 67 8.395 2.832 -3.567 512 HB3 ASN 67 2HB ASN 67 7.727 1.681 -4.722 513 HD21 ASN 67 1HD2 ASN 67 9.821 2.087 -1.957 514 HD22 ASN 67 2HD2 ASN 67 9.899 0.414 -1.527 515 H GLU 68 H GLU 68 10.871 4.400 -5.887 516 HA GLU 68 HA GLU 68 10.585 6.056 -7.390 517 HB2 GLU 68 1HB GLU 68 9.353 3.770 -8.918 518 HB3 GLU 68 2HB GLU 68 9.658 5.354 -9.619 519 HG2 GLU 68 1HG GLU 68 12.025 5.126 -9.209 520 HG3 GLU 68 2HG GLU 68 11.760 3.587 -8.393 521 H VAL 69 H VAL 69 8.761 6.135 -5.377 522 HA VAL 69 HA VAL 69 6.088 6.435 -6.346 523 HB VAL 69 HB VAL 69 7.411 7.329 -3.781 524 HG11 VAL 69 1HG1 VAL 69 5.170 7.698 -2.893 525 HG12 VAL 69 2HG1 VAL 69 4.477 7.344 -4.475 526 HG13 VAL 69 3HG1 VAL 69 5.496 8.767 -4.258 527 HG21 VAL 69 3HG2 VAL 69 7.283 4.918 -4.067 528 HG22 VAL 69 1HG2 VAL 69 5.554 5.036 -4.396 529 HG23 VAL 69 2HG2 VAL 69 6.178 5.454 -2.800 530 H SER 70 H SER 70 5.651 7.948 -7.782 531 HA SER 70 HA SER 70 6.698 10.660 -7.344 532 HB2 SER 70 1HB SER 70 6.261 10.925 -9.840 533 HB3 SER 70 2HB SER 70 7.581 9.841 -9.401 534 HG SER 70 HG SER 70 6.437 8.679 -10.829 535 H ALA 71 H ALA 71 3.923 8.665 -7.832 536 HA ALA 71 HA ALA 71 2.187 11.026 -7.576 537 HB1 ALA 71 1HB ALA 71 1.922 9.966 -9.767 538 HB2 ALA 71 2HB ALA 71 0.461 9.798 -8.795 539 HB3 ALA 71 3HB ALA 71 1.556 8.429 -8.982 540 H MET 72 H MET 72 1.257 11.114 -5.652 541 HA MET 72 HA MET 72 0.981 8.639 -4.109 542 HB2 MET 72 1HB MET 72 0.611 10.241 -2.168 543 HB3 MET 72 2HB MET 72 2.220 10.219 -2.870 544 HG2 MET 72 1HG MET 72 1.672 12.476 -2.440 545 HG3 MET 72 2HG MET 72 1.586 12.248 -4.183 546 HE1 MET 72 3HE MET 72 0.241 14.509 -4.496 547 HE2 MET 72 1HE MET 72 0.375 14.792 -2.759 548 HE3 MET 72 2HE MET 72 -1.195 14.925 -3.556 549 HA PRO 73 HA PRO 73 -0.086 8.035 -2.188 550 HB2 PRO 73 1HB PRO 73 -2.313 6.136 -2.361 551 HB3 PRO 73 2HB PRO 73 -1.663 6.967 -0.946 552 HG2 PRO 73 1HG PRO 73 -4.075 7.574 -1.976 553 HG3 PRO 73 2HG PRO 73 -3.033 8.798 -1.225 554 HD2 PRO 73 1HD PRO 73 -3.470 8.212 -4.133 555 HD3 PRO 73 2HD PRO 73 -3.363 9.777 -3.304 556 H THR 74 H THR 74 0.598 5.671 -2.281 557 HA THR 74 HA THR 74 0.466 4.627 -5.019 558 HB THR 74 HB THR 74 2.963 4.577 -3.320 559 HG1 THR 74 1HG THR 74 1.991 6.465 -5.157 560 HG21 THR 74 3HG2 THR 74 2.479 3.939 -6.231 561 HG22 THR 74 1HG2 THR 74 2.808 2.773 -4.953 562 HG23 THR 74 2HG2 THR 74 4.049 3.932 -5.431 563 H LEU 75 H LEU 75 -0.483 2.675 -4.915 564 HA LEU 75 HA LEU 75 -0.190 1.122 -2.447 565 HB2 LEU 75 1HB LEU 75 -2.400 1.524 -4.343 566 HB3 LEU 75 2HB LEU 75 -2.155 -0.130 -3.803 567 HG LEU 75 HG LEU 75 -2.335 2.105 -1.812 568 HD11 LEU 75 1HD1 LEU 75 -4.347 2.215 -3.246 569 HD12 LEU 75 2HD1 LEU 75 -4.697 1.741 -1.585 570 HD13 LEU 75 3HD1 LEU 75 -4.672 0.526 -2.859 571 HD21 LEU 75 3HD2 LEU 75 -1.501 -0.037 -1.050 572 HD22 LEU 75 1HD2 LEU 75 -2.918 -0.843 -1.720 573 HD23 LEU 75 2HD2 LEU 75 -3.099 0.278 -0.373 574 H LEU 76 H LEU 76 1.328 -0.289 -2.571 575 HA LEU 76 HA LEU 76 1.598 -1.874 -5.037 576 HB2 LEU 76 1HB LEU 76 3.843 -1.219 -3.124 577 HB3 LEU 76 2HB LEU 76 3.976 -1.959 -4.706 578 HG LEU 76 HG LEU 76 3.134 0.900 -4.224 579 HD11 LEU 76 1HD1 LEU 76 5.791 -0.216 -5.113 580 HD12 LEU 76 2HD1 LEU 76 5.453 0.534 -3.553 581 HD13 LEU 76 3HD1 LEU 76 5.361 1.493 -5.030 582 HD21 LEU 76 3HD2 LEU 76 2.242 0.054 -6.281 583 HD22 LEU 76 1HD2 LEU 76 3.801 -0.647 -6.714 584 HD23 LEU 76 2HD2 LEU 76 3.609 1.106 -6.653 585 H LEU 77 H LEU 77 0.894 -3.865 -4.614 586 HA LEU 77 HA LEU 77 1.191 -4.838 -1.882 587 HB2 LEU 77 1HB LEU 77 0.050 -6.737 -3.740 588 HB3 LEU 77 2HB LEU 77 -0.596 -6.109 -2.239 589 HG LEU 77 HG LEU 77 -0.852 -4.817 -4.960 590 HD11 LEU 77 1HD1 LEU 77 -3.247 -5.368 -4.597 591 HD12 LEU 77 2HD1 LEU 77 -2.791 -6.238 -3.127 592 HD13 LEU 77 3HD1 LEU 77 -2.213 -6.794 -4.707 593 HD21 LEU 77 3HD2 LEU 77 -2.178 -3.130 -3.983 594 HD22 LEU 77 1HD2 LEU 77 -0.722 -3.213 -2.993 595 HD23 LEU 77 2HD2 LEU 77 -2.223 -3.945 -2.426 596 H PHE 78 H PHE 78 2.729 -6.156 -1.297 597 HA PHE 78 HA PHE 78 4.444 -7.200 -3.421 598 HB2 PHE 78 1HB PHE 78 4.992 -6.289 -0.627 599 HB3 PHE 78 2HB PHE 78 6.091 -7.409 -1.413 600 HD1 PHE 78 2HD PHE 78 4.405 -4.136 -2.058 601 HD2 PHE 78 1HD PHE 78 7.873 -6.550 -2.560 602 HE1 PHE 78 2HE PHE 78 5.571 -2.241 -3.107 603 HE2 PHE 78 1HE PHE 78 9.044 -4.657 -3.604 604 HZ PHE 78 HZ PHE 78 7.892 -2.499 -3.881 605 H LYS 79 H LYS 79 5.372 -9.256 -3.215 606 HA LYS 79 HA LYS 79 4.339 -11.001 -1.109 607 HB2 LYS 79 1HB LYS 79 2.911 -11.349 -3.067 608 HB3 LYS 79 2HB LYS 79 4.326 -11.577 -4.078 609 HG2 LYS 79 1HG LYS 79 4.872 -13.612 -2.797 610 HG3 LYS 79 2HG LYS 79 3.421 -13.372 -1.823 611 HD2 LYS 79 1HD LYS 79 3.376 -13.679 -4.820 612 HD3 LYS 79 2HD LYS 79 3.207 -15.034 -3.707 613 HE2 LYS 79 1HE LYS 79 1.411 -12.620 -3.613 614 HE3 LYS 79 2HE LYS 79 1.063 -14.020 -4.624 615 HZ1 LYS 79 3HZ LYS 79 -0.090 -14.176 -2.521 616 HZ2 LYS 79 1HZ LYS 79 1.362 -14.043 -1.667 617 HZ3 LYS 79 2HZ LYS 79 1.070 -15.399 -2.626 618 H ASN 80 H ASN 80 5.970 -12.165 -0.268 619 HA ASN 80 HA ASN 80 8.140 -12.701 0.173 620 HB2 ASN 80 1HB ASN 80 8.987 -14.460 -1.528 621 HB3 ASN 80 2HB ASN 80 7.553 -14.791 -0.578 622 HD21 ASN 80 1HD2 ASN 80 7.802 -12.807 -3.517 623 HD22 ASN 80 2HD2 ASN 80 6.714 -13.778 -4.447 624 H GLY 81 H GLY 81 8.279 -10.183 -0.799 625 HA2 GLY 81 1HA GLY 81 9.875 -8.676 -1.458 626 HA3 GLY 81 2HA GLY 81 11.019 -10.005 -1.400 627 H LYS 82 H LYS 82 8.316 -10.366 -3.521 628 HA LYS 82 HA LYS 82 10.055 -9.708 -5.800 629 HB2 LYS 82 1HB LYS 82 10.177 -11.960 -5.996 630 HB3 LYS 82 2HB LYS 82 8.765 -12.224 -4.991 631 HG2 LYS 82 1HG LYS 82 7.327 -11.753 -6.873 632 HG3 LYS 82 2HG LYS 82 8.736 -11.473 -7.900 633 HD2 LYS 82 1HD LYS 82 9.467 -13.781 -7.517 634 HD3 LYS 82 2HD LYS 82 8.056 -14.058 -6.495 635 HE2 LYS 82 1HE LYS 82 7.733 -14.939 -8.760 636 HE3 LYS 82 2HE LYS 82 6.580 -13.661 -8.379 637 HZ1 LYS 82 3HZ LYS 82 7.901 -12.112 -9.638 638 HZ2 LYS 82 1HZ LYS 82 7.519 -13.439 -10.610 639 HZ3 LYS 82 2HZ LYS 82 9.069 -13.290 -9.952 640 H GLU 83 H GLU 83 7.396 -8.869 -4.201 641 HA GLU 83 HA GLU 83 5.641 -7.540 -4.619 642 HB2 GLU 83 1HB GLU 83 6.803 -7.496 -7.387 643 HB3 GLU 83 2HB GLU 83 5.298 -6.676 -7.000 644 HG2 GLU 83 1HG GLU 83 6.401 -5.250 -5.437 645 HG3 GLU 83 2HG GLU 83 7.903 -6.158 -5.601 646 H VAL 84 H VAL 84 3.648 -7.384 -6.170 647 HA VAL 84 HA VAL 84 2.943 -9.868 -7.441 648 HB VAL 84 HB VAL 84 2.303 -9.915 -4.912 649 HG11 VAL 84 1HG1 VAL 84 1.174 -7.790 -4.816 650 HG12 VAL 84 2HG1 VAL 84 0.047 -9.098 -4.460 651 HG13 VAL 84 3HG1 VAL 84 0.020 -8.320 -6.039 652 HG21 VAL 84 3HG2 VAL 84 1.726 -11.644 -6.481 653 HG22 VAL 84 1HG2 VAL 84 0.384 -10.677 -7.092 654 HG23 VAL 84 2HG2 VAL 84 0.346 -11.295 -5.439 655 H ALA 85 H ALA 85 2.276 -6.552 -6.586 656 HA ALA 85 HA ALA 85 1.138 -6.047 -9.199 657 HB1 ALA 85 1HB ALA 85 -0.831 -4.823 -8.071 658 HB2 ALA 85 2HB ALA 85 -0.524 -5.909 -6.710 659 HB3 ALA 85 3HB ALA 85 -0.933 -6.568 -8.298 660 H LYS 86 H LYS 86 0.744 -3.759 -9.559 661 HA LYS 86 HA LYS 86 1.924 -1.964 -7.611 662 HB2 LYS 86 1HB LYS 86 3.829 -2.510 -8.990 663 HB3 LYS 86 2HB LYS 86 2.901 -2.240 -10.458 664 HG2 LYS 86 1HG LYS 86 2.784 0.120 -10.010 665 HG3 LYS 86 2HG LYS 86 3.566 -0.099 -8.449 666 HD2 LYS 86 1HD LYS 86 5.536 -1.052 -9.723 667 HD3 LYS 86 2HD LYS 86 4.752 -0.461 -11.187 668 HE2 LYS 86 1HE LYS 86 4.715 1.821 -10.142 669 HE3 LYS 86 2HE LYS 86 5.691 1.163 -8.831 670 HZ1 LYS 86 3HZ LYS 86 7.053 2.254 -10.511 671 HZ2 LYS 86 1HZ LYS 86 6.483 1.187 -11.691 672 HZ3 LYS 86 2HZ LYS 86 7.417 0.605 -10.408 673 H VAL 87 H VAL 87 0.420 -0.473 -7.286 674 HA VAL 87 HA VAL 87 -0.802 0.768 -9.666 675 HB VAL 87 HB VAL 87 -2.105 0.743 -6.937 676 HG11 VAL 87 1HG1 VAL 87 -2.757 2.546 -8.434 677 HG12 VAL 87 2HG1 VAL 87 -4.092 1.416 -8.206 678 HG13 VAL 87 3HG1 VAL 87 -3.151 1.377 -9.695 679 HG21 VAL 87 3HG2 VAL 87 -1.954 -1.577 -7.763 680 HG22 VAL 87 1HG2 VAL 87 -2.767 -1.087 -9.248 681 HG23 VAL 87 2HG2 VAL 87 -3.620 -0.994 -7.703 682 H VAL 88 H VAL 88 -0.671 2.985 -9.769 683 HA VAL 88 HA VAL 88 0.890 4.218 -7.599 684 HB VAL 88 HB VAL 88 1.410 4.962 -10.450 685 HG11 VAL 88 1HG1 VAL 88 2.930 5.075 -7.861 686 HG12 VAL 88 2HG1 VAL 88 2.412 6.412 -8.892 687 HG13 VAL 88 3HG1 VAL 88 3.705 5.334 -9.425 688 HG21 VAL 88 3HG2 VAL 88 3.090 3.284 -10.700 689 HG22 VAL 88 1HG2 VAL 88 1.589 2.469 -10.246 690 HG23 VAL 88 2HG2 VAL 88 2.858 2.724 -9.044 691 H GLY 89 H GLY 89 -1.203 5.028 -6.965 692 HA2 GLY 89 1HA GLY 89 -1.588 7.682 -7.422 693 HA3 GLY 89 2HA GLY 89 -2.598 6.896 -8.633 694 H ALA 90 H ALA 90 -4.123 8.253 -7.123 695 HA ALA 90 HA ALA 90 -4.896 7.002 -4.674 696 HB1 ALA 90 1HB ALA 90 -5.345 9.385 -5.135 697 HB2 ALA 90 2HB ALA 90 -6.819 8.496 -4.746 698 HB3 ALA 90 3HB ALA 90 -6.458 8.910 -6.421 699 H ASN 91 H ASN 91 -5.380 4.857 -4.934 700 HA ASN 91 HA ASN 91 -7.439 4.235 -6.933 701 HB2 ASN 91 1HB ASN 91 -6.462 1.965 -7.086 702 HB3 ASN 91 2HB ASN 91 -5.369 3.231 -7.634 703 HD21 ASN 91 1HD2 ASN 91 -5.027 0.440 -6.531 704 HD22 ASN 91 2HD2 ASN 91 -3.854 0.623 -5.279 705 HA PRO 92 HA PRO 92 -9.416 2.620 -3.111 706 HB2 PRO 92 1HB PRO 92 -11.781 4.028 -4.054 707 HB3 PRO 92 2HB PRO 92 -10.957 4.176 -2.503 708 HG2 PRO 92 1HG PRO 92 -10.990 6.145 -4.395 709 HG3 PRO 92 2HG PRO 92 -9.696 5.948 -3.200 710 HD2 PRO 92 1HD PRO 92 -9.757 5.161 -6.088 711 HD3 PRO 92 2HD PRO 92 -8.415 5.818 -5.127 712 H ALA 93 H ALA 93 -10.292 3.157 -6.480 713 HA ALA 93 HA ALA 93 -11.983 0.790 -6.570 714 HB1 ALA 93 1HB ALA 93 -12.473 1.424 -8.846 715 HB2 ALA 93 2HB ALA 93 -11.214 2.655 -8.807 716 HB3 ALA 93 3HB ALA 93 -12.645 2.826 -7.792 717 H ALA 94 H ALA 94 -8.994 1.942 -8.124 718 HA ALA 94 HA ALA 94 -8.509 -0.461 -9.557 719 HB1 ALA 94 1HB ALA 94 -6.566 1.738 -8.867 720 HB2 ALA 94 2HB ALA 94 -7.595 1.674 -10.294 721 HB3 ALA 94 3HB ALA 94 -6.325 0.473 -10.068 722 H ILE 95 H ILE 95 -7.904 0.412 -6.255 723 HA ILE 95 HA ILE 95 -5.918 -1.448 -5.651 724 HB ILE 95 HB ILE 95 -7.031 0.095 -3.969 725 HG12 ILE 95 1HG1 ILE 95 -6.475 -1.285 -2.120 726 HG13 ILE 95 2HG1 ILE 95 -6.954 -2.753 -2.968 727 HG21 ILE 95 1HG2 ILE 95 -8.966 -0.717 -2.753 728 HG22 ILE 95 2HG2 ILE 95 -9.060 -2.122 -3.821 729 HG23 ILE 95 3HG2 ILE 95 -9.353 -0.499 -4.461 730 HD11 ILE 95 3HD1 ILE 95 -4.596 -1.074 -3.785 731 HD12 ILE 95 1HD1 ILE 95 -5.003 -2.704 -4.310 732 HD13 ILE 95 2HD1 ILE 95 -4.489 -2.417 -2.649 733 H LYS 96 H LYS 96 -9.334 -1.794 -6.289 734 HA LYS 96 HA LYS 96 -9.638 -4.490 -5.631 735 HB2 LYS 96 1HB LYS 96 -11.058 -2.744 -7.614 736 HB3 LYS 96 2HB LYS 96 -11.461 -4.447 -7.455 737 HG2 LYS 96 1HG LYS 96 -11.576 -2.392 -5.263 738 HG3 LYS 96 2HG LYS 96 -12.955 -3.059 -6.137 739 HD2 LYS 96 1HD LYS 96 -11.029 -4.631 -4.421 740 HD3 LYS 96 2HD LYS 96 -12.655 -4.136 -3.948 741 HE2 LYS 96 1HE LYS 96 -11.973 -5.961 -6.253 742 HE3 LYS 96 2HE LYS 96 -12.588 -6.474 -4.685 743 HZ1 LYS 96 3HZ LYS 96 -14.015 -4.737 -6.621 744 HZ2 LYS 96 1HZ LYS 96 -14.602 -5.206 -5.107 745 HZ3 LYS 96 2HZ LYS 96 -14.353 -6.362 -6.313 746 H GLN 97 H GLN 97 -8.400 -2.983 -8.535 747 HA GLN 97 HA GLN 97 -8.131 -5.178 -10.207 748 HB2 GLN 97 1HB GLN 97 -7.616 -2.859 -10.870 749 HB3 GLN 97 2HB GLN 97 -6.240 -2.845 -9.787 750 HG2 GLN 97 1HG GLN 97 -6.343 -4.875 -11.969 751 HG3 GLN 97 2HG GLN 97 -5.923 -3.211 -12.350 752 HE21 GLN 97 1HE2 GLN 97 -4.877 -6.164 -10.911 753 HE22 GLN 97 2HE2 GLN 97 -3.256 -5.669 -10.555 754 H ALA 98 H ALA 98 -5.761 -3.900 -7.883 755 HA ALA 98 HA ALA 98 -4.057 -6.197 -8.194 756 HB1 ALA 98 1HB ALA 98 -3.117 -3.973 -7.806 757 HB2 ALA 98 2HB ALA 98 -2.631 -5.073 -6.513 758 HB3 ALA 98 3HB ALA 98 -3.920 -3.895 -6.239 759 H ILE 99 H ILE 99 -6.557 -5.293 -6.088 760 HA ILE 99 HA ILE 99 -5.740 -6.945 -3.892 761 HB ILE 99 HB ILE 99 -7.289 -4.698 -4.094 762 HG12 ILE 99 1HG1 ILE 99 -6.019 -5.622 -2.146 763 HG13 ILE 99 2HG1 ILE 99 -7.577 -4.906 -1.723 764 HG21 ILE 99 1HG2 ILE 99 -9.508 -5.077 -3.509 765 HG22 ILE 99 2HG2 ILE 99 -9.234 -6.804 -3.264 766 HG23 ILE 99 3HG2 ILE 99 -9.196 -6.131 -4.893 767 HD11 ILE 99 3HD1 ILE 99 -7.437 -7.804 -2.339 768 HD12 ILE 99 1HD1 ILE 99 -8.528 -6.935 -1.263 769 HD13 ILE 99 2HD1 ILE 99 -6.859 -7.232 -0.765 770 H ALA 100 H ALA 100 -8.120 -7.127 -6.453 771 HA ALA 100 HA ALA 100 -9.307 -9.497 -5.297 772 HB1 ALA 100 1HB ALA 100 -9.938 -8.150 -7.921 773 HB2 ALA 100 2HB ALA 100 -10.743 -7.829 -6.385 774 HB3 ALA 100 3HB ALA 100 -10.885 -9.416 -7.139 775 H ALA 101 H ALA 101 -7.300 -8.610 -8.060 776 HA ALA 101 HA ALA 101 -7.257 -11.200 -9.220 777 HB1 ALA 101 1HB ALA 101 -5.209 -9.005 -9.510 778 HB2 ALA 101 2HB ALA 101 -6.698 -9.127 -10.450 779 HB3 ALA 101 3HB ALA 101 -5.457 -10.374 -10.595 780 H ASN 102 H ASN 102 -5.125 -9.508 -6.938 781 HA ASN 102 HA ASN 102 -3.381 -11.877 -6.967 782 HB2 ASN 102 1HB ASN 102 -2.899 -9.067 -5.997 783 HB3 ASN 102 2HB ASN 102 -1.731 -10.379 -5.853 784 HD21 ASN 102 1HD2 ASN 102 -1.864 -7.814 -7.405 785 HD22 ASN 102 2HD2 ASN 102 -1.470 -8.267 -9.027 786 H ALA 103 H ALA 103 -4.259 -9.535 -4.432 787 HA ALA 103 HA ALA 103 -3.679 -11.138 -2.258 788 HB1 ALA 103 1HB ALA 103 -5.864 -9.068 -2.384 789 HB2 ALA 103 2HB ALA 103 -4.152 -8.725 -2.141 790 HB3 ALA 103 3HB ALA 103 -5.046 -9.652 -0.934 Start of MODEL 8 1 H1 MET 1 1H MET 1 -8.708 -2.403 8.965 2 H2 MET 1 2H MET 1 -8.767 -0.721 9.168 3 H3 MET 1 3H MET 1 -9.431 -1.744 10.340 4 HA MET 1 HA MET 1 -7.266 -0.791 10.978 5 HB2 MET 1 1HB MET 1 -8.134 -2.900 11.946 6 HB3 MET 1 2HB MET 1 -7.341 -3.799 10.663 7 HG2 MET 1 1HG MET 1 -6.047 -3.895 12.703 8 HG3 MET 1 2HG MET 1 -5.169 -3.018 11.451 9 HE1 MET 1 3HE MET 1 -4.038 -1.219 14.744 10 HE2 MET 1 1HE MET 1 -3.503 -2.046 13.281 11 HE3 MET 1 2HE MET 1 -4.375 -2.937 14.528 12 H VAL 2 H VAL 2 -5.910 0.257 9.598 13 HA VAL 2 HA VAL 2 -4.189 -1.474 7.946 14 HB VAL 2 HB VAL 2 -4.833 1.421 7.376 15 HG11 VAL 2 1HG1 VAL 2 -3.749 0.920 5.199 16 HG12 VAL 2 2HG1 VAL 2 -3.290 -0.657 5.838 17 HG13 VAL 2 3HG1 VAL 2 -2.653 0.811 6.575 18 HG21 VAL 2 3HG2 VAL 2 -6.812 0.067 6.996 19 HG22 VAL 2 1HG2 VAL 2 -5.874 -1.062 6.017 20 HG23 VAL 2 2HG2 VAL 2 -6.127 0.593 5.456 21 H THR 3 H THR 3 -2.320 -1.697 8.929 22 HA THR 3 HA THR 3 -1.371 0.035 10.980 23 HB THR 3 HB THR 3 -0.649 -2.544 9.825 24 HG1 THR 3 1HG THR 3 -0.223 -2.978 11.992 25 HG21 THR 3 3HG2 THR 3 1.614 -0.853 10.895 26 HG22 THR 3 1HG2 THR 3 1.392 -1.291 9.194 27 HG23 THR 3 2HG2 THR 3 1.701 -2.546 10.406 28 H GLN 4 H GLN 4 0.432 1.336 11.033 29 HA GLN 4 HA GLN 4 1.477 2.180 8.422 30 HB2 GLN 4 1HB GLN 4 2.192 4.255 9.765 31 HB3 GLN 4 2HB GLN 4 0.490 4.070 9.376 32 HG2 GLN 4 1HG GLN 4 0.393 4.712 11.570 33 HG3 GLN 4 2HG GLN 4 0.340 2.955 11.715 34 HE21 GLN 4 1HE2 GLN 4 3.245 4.814 10.986 35 HE22 GLN 4 2HE2 GLN 4 4.050 4.479 12.477 36 H PHE 5 H PHE 5 3.590 1.948 7.992 37 HA PHE 5 HA PHE 5 5.309 0.723 9.988 38 HB2 PHE 5 1HB PHE 5 5.745 1.384 7.075 39 HB3 PHE 5 2HB PHE 5 7.024 0.773 8.110 40 HD1 PHE 5 1HD PHE 5 5.299 -1.199 9.681 41 HD2 PHE 5 2HD PHE 5 5.665 -0.366 5.524 42 HE1 PHE 5 1HE PHE 5 4.650 -3.512 9.165 43 HE2 PHE 5 2HE PHE 5 5.012 -2.677 5.000 44 HZ PHE 5 HZ PHE 5 4.504 -4.252 6.824 45 H LYS 6 H LYS 6 7.555 1.567 10.223 46 HA LYS 6 HA LYS 6 7.519 4.498 10.309 47 HB2 LYS 6 1HB LYS 6 8.793 4.326 12.442 48 HB3 LYS 6 2HB LYS 6 7.148 3.714 12.533 49 HG2 LYS 6 1HG LYS 6 8.098 1.417 12.192 50 HG3 LYS 6 2HG LYS 6 9.698 2.129 12.392 51 HD2 LYS 6 1HD LYS 6 7.475 2.301 14.427 52 HD3 LYS 6 2HD LYS 6 8.785 1.124 14.476 53 HE2 LYS 6 1HE LYS 6 9.135 4.118 14.551 54 HE3 LYS 6 2HE LYS 6 9.177 3.056 15.957 55 HZ1 LYS 6 3HZ LYS 6 11.081 1.910 14.940 56 HZ2 LYS 6 1HZ LYS 6 11.399 3.545 15.238 57 HZ3 LYS 6 2HZ LYS 6 11.066 3.022 13.666 58 H THR 7 H THR 7 9.200 1.717 9.299 59 HA THR 7 HA THR 7 11.386 3.427 8.400 60 HB THR 7 HB THR 7 13.044 1.655 8.769 61 HG1 THR 7 1HG THR 7 12.170 0.071 10.497 62 HG21 THR 7 3HG2 THR 7 12.836 3.428 10.431 63 HG22 THR 7 1HG2 THR 7 13.262 1.898 11.197 64 HG23 THR 7 2HG2 THR 7 11.606 2.496 11.284 65 H ALA 8 H ALA 8 12.410 2.777 6.468 66 HA ALA 8 HA ALA 8 10.881 1.437 4.531 67 HB1 ALA 8 1HB ALA 8 13.894 1.720 4.601 68 HB2 ALA 8 2HB ALA 8 12.784 2.972 4.048 69 HB3 ALA 8 3HB ALA 8 12.890 1.440 3.179 70 H SER 9 H SER 9 13.215 0.389 6.906 71 HA SER 9 HA SER 9 13.614 -2.259 6.106 72 HB2 SER 9 1HB SER 9 15.009 -1.255 7.814 73 HB3 SER 9 2HB SER 9 13.616 -1.026 8.870 74 HG SER 9 HG SER 9 14.317 -3.604 7.959 75 H GLU 10 H GLU 10 11.086 -0.793 8.158 76 HA GLU 10 HA GLU 10 9.830 -3.201 8.916 77 HB2 GLU 10 1HB GLU 10 8.694 -0.438 8.481 78 HB3 GLU 10 2HB GLU 10 7.751 -1.771 9.132 79 HG2 GLU 10 1HG GLU 10 10.232 -0.592 10.355 80 HG3 GLU 10 2HG GLU 10 8.575 -0.327 10.897 81 H PHE 11 H PHE 11 9.340 -1.104 6.143 82 HA PHE 11 HA PHE 11 7.324 -2.593 4.872 83 HB2 PHE 11 1HB PHE 11 7.490 -0.484 4.001 84 HB3 PHE 11 2HB PHE 11 9.241 -0.445 4.127 85 HD1 PHE 11 2HD PHE 11 6.395 -1.428 2.045 86 HD2 PHE 11 1HD PHE 11 10.630 -1.220 2.340 87 HE1 PHE 11 2HE PHE 11 6.572 -1.833 -0.371 88 HE2 PHE 11 1HE PHE 11 10.819 -1.625 -0.083 89 HZ PHE 11 HZ PHE 11 8.788 -1.934 -1.439 90 H ASP 12 H ASP 12 10.842 -2.602 4.487 91 HA ASP 12 HA ASP 12 11.009 -4.401 2.362 92 HB2 ASP 12 1HB ASP 12 12.883 -3.004 3.039 93 HB3 ASP 12 2HB ASP 12 12.996 -3.859 4.573 94 H SER 13 H SER 13 11.105 -5.023 5.855 95 HA SER 13 HA SER 13 11.578 -7.810 5.559 96 HB2 SER 13 1HB SER 13 12.160 -6.574 7.619 97 HB3 SER 13 2HB SER 13 10.448 -6.300 7.931 98 HG SER 13 HG SER 13 11.955 -8.654 8.131 99 H ALA 14 H ALA 14 8.683 -5.845 5.717 100 HA ALA 14 HA ALA 14 6.880 -8.016 6.101 101 HB1 ALA 14 1HB ALA 14 5.146 -6.413 5.331 102 HB2 ALA 14 2HB ALA 14 6.431 -5.253 4.985 103 HB3 ALA 14 3HB ALA 14 6.152 -5.790 6.642 104 H ILE 15 H ILE 15 7.934 -6.192 3.243 105 HA ILE 15 HA ILE 15 6.260 -7.594 1.454 106 HB ILE 15 HB ILE 15 7.571 -6.578 -0.333 107 HG12 ILE 15 1HG1 ILE 15 9.327 -5.355 1.780 108 HG13 ILE 15 2HG1 ILE 15 9.766 -6.850 0.968 109 HG21 ILE 15 1HG2 ILE 15 7.028 -4.683 1.949 110 HG22 ILE 15 2HG2 ILE 15 5.837 -5.275 0.792 111 HG23 ILE 15 3HG2 ILE 15 7.159 -4.243 0.246 112 HD11 ILE 15 3HD1 ILE 15 10.855 -4.952 -0.061 113 HD12 ILE 15 1HD1 ILE 15 9.292 -4.186 -0.345 114 HD13 ILE 15 2HD1 ILE 15 9.705 -5.682 -1.182 115 H ALA 16 H ALA 16 9.320 -8.371 2.866 116 HA ALA 16 HA ALA 16 10.100 -10.239 0.809 117 HB1 ALA 16 1HB ALA 16 11.746 -9.059 2.241 118 HB2 ALA 16 2HB ALA 16 11.928 -10.814 2.267 119 HB3 ALA 16 3HB ALA 16 11.153 -9.988 3.619 120 H GLN 17 H GLN 17 7.811 -10.303 3.200 121 HA GLN 17 HA GLN 17 8.137 -12.997 4.100 122 HB2 GLN 17 1HB GLN 17 5.782 -11.111 4.292 123 HB3 GLN 17 2HB GLN 17 5.873 -12.673 5.090 124 HG2 GLN 17 1HG GLN 17 7.724 -11.928 6.429 125 HG3 GLN 17 2HG GLN 17 7.778 -10.396 5.562 126 HE21 GLN 17 1HE2 GLN 17 4.797 -11.969 6.451 127 HE22 GLN 17 2HE2 GLN 17 4.314 -10.813 7.640 128 H ASP 18 H ASP 18 6.603 -14.709 3.724 129 HA ASP 18 HA ASP 18 5.782 -14.938 0.967 130 HB2 ASP 18 1HB ASP 18 5.526 -16.772 3.346 131 HB3 ASP 18 2HB ASP 18 4.924 -17.192 1.747 132 H LYS 19 H LYS 19 4.511 -12.877 2.366 133 HA LYS 19 HA LYS 19 1.703 -13.751 2.354 134 HB2 LYS 19 1HB LYS 19 3.042 -11.773 4.189 135 HB3 LYS 19 2HB LYS 19 1.303 -11.949 4.025 136 HG2 LYS 19 1HG LYS 19 3.067 -14.236 4.781 137 HG3 LYS 19 2HG LYS 19 2.398 -13.129 5.979 138 HD2 LYS 19 1HD LYS 19 0.808 -14.790 4.019 139 HD3 LYS 19 2HD LYS 19 1.025 -15.152 5.732 140 HE2 LYS 19 1HE LYS 19 -0.066 -13.003 6.286 141 HE3 LYS 19 2HE LYS 19 -0.348 -12.728 4.570 142 HZ1 LYS 19 3HZ LYS 19 -2.299 -13.632 5.666 143 HZ2 LYS 19 1HZ LYS 19 -1.425 -14.999 6.146 144 HZ3 LYS 19 2HZ LYS 19 -1.709 -14.711 4.506 145 H LEU 20 H LEU 20 0.187 -12.116 1.762 146 HA LEU 20 HA LEU 20 1.107 -10.332 -0.298 147 HB2 LEU 20 1HB LEU 20 -1.113 -11.574 -0.249 148 HB3 LEU 20 2HB LEU 20 -1.619 -10.460 0.996 149 HG LEU 20 HG LEU 20 -2.559 -9.841 -1.142 150 HD11 LEU 20 1HD1 LEU 20 -1.819 -7.516 -1.320 151 HD12 LEU 20 2HD1 LEU 20 -0.456 -7.884 -0.258 152 HD13 LEU 20 3HD1 LEU 20 -2.110 -8.014 0.346 153 HD21 LEU 20 3HD2 LEU 20 0.238 -9.450 -2.152 154 HD22 LEU 20 1HD2 LEU 20 -1.269 -9.211 -3.037 155 HD23 LEU 20 2HD2 LEU 20 -0.785 -10.835 -2.542 156 H VAL 21 H VAL 21 2.271 -8.609 0.418 157 HA VAL 21 HA VAL 21 1.118 -7.068 2.643 158 HB VAL 21 HB VAL 21 3.971 -7.172 1.632 159 HG11 VAL 21 1HG1 VAL 21 4.522 -5.484 3.283 160 HG12 VAL 21 2HG1 VAL 21 2.831 -5.378 3.772 161 HG13 VAL 21 3HG1 VAL 21 3.313 -4.849 2.158 162 HG21 VAL 21 3HG2 VAL 21 4.442 -7.920 3.921 163 HG22 VAL 21 1HG2 VAL 21 3.309 -8.999 3.106 164 HG23 VAL 21 2HG2 VAL 21 2.721 -7.841 4.299 165 H VAL 22 H VAL 22 -0.193 -5.567 1.827 166 HA VAL 22 HA VAL 22 0.753 -4.014 -0.449 167 HB VAL 22 HB VAL 22 -1.338 -4.439 -1.115 168 HG11 VAL 22 1HG1 VAL 22 -1.922 -5.959 0.605 169 HG12 VAL 22 2HG1 VAL 22 -3.268 -4.843 0.371 170 HG13 VAL 22 3HG1 VAL 22 -2.187 -4.644 1.752 171 HG21 VAL 22 3HG2 VAL 22 -1.925 -2.185 0.787 172 HG22 VAL 22 1HG2 VAL 22 -2.936 -2.674 -0.573 173 HG23 VAL 22 2HG2 VAL 22 -1.318 -2.035 -0.863 174 H VAL 23 H VAL 23 1.972 -2.425 0.059 175 HA VAL 23 HA VAL 23 1.409 -0.803 2.440 176 HB VAL 23 HB VAL 23 3.878 -0.973 0.701 177 HG11 VAL 23 1HG1 VAL 23 3.594 1.266 1.647 178 HG12 VAL 23 2HG1 VAL 23 4.967 0.420 2.363 179 HG13 VAL 23 3HG1 VAL 23 3.451 0.558 3.256 180 HG21 VAL 23 3HG2 VAL 23 3.718 -2.951 1.967 181 HG22 VAL 23 1HG2 VAL 23 3.179 -2.081 3.403 182 HG23 VAL 23 2HG2 VAL 23 4.839 -1.916 2.849 183 H ALA 24 H ALA 24 1.091 1.412 2.309 184 HA ALA 24 HA ALA 24 0.733 2.567 -0.381 185 HB1 ALA 24 1HB ALA 24 -1.445 2.137 0.262 186 HB2 ALA 24 2HB ALA 24 -1.216 3.814 0.754 187 HB3 ALA 24 3HB ALA 24 -1.126 2.521 1.948 188 H PHE 25 H PHE 25 2.111 4.075 -0.696 189 HA PHE 25 HA PHE 25 3.233 5.675 1.406 190 HB2 PHE 25 1HB PHE 25 3.358 5.880 -1.604 191 HB3 PHE 25 2HB PHE 25 4.285 6.907 -0.511 192 HD1 PHE 25 1HD PHE 25 5.521 5.377 1.392 193 HD2 PHE 25 2HD PHE 25 4.554 4.192 -2.576 194 HE1 PHE 25 1HE PHE 25 7.290 3.670 1.471 195 HE2 PHE 25 2HE PHE 25 6.332 2.487 -2.506 196 HZ PHE 25 HZ PHE 25 7.692 2.223 -0.480 197 H TYR 26 H TYR 26 2.019 7.164 2.402 198 HA TYR 26 HA TYR 26 0.160 8.788 0.805 199 HB2 TYR 26 1HB TYR 26 -0.453 7.021 3.127 200 HB3 TYR 26 2HB TYR 26 -1.323 8.548 2.996 201 HD1 TYR 26 1HD TYR 26 -0.285 5.812 0.677 202 HD2 TYR 26 2HD TYR 26 -3.380 8.381 2.019 203 HE1 TYR 26 1HE TYR 26 -1.810 4.816 -0.962 204 HE2 TYR 26 2HE TYR 26 -4.923 7.390 0.391 205 HH TYR 26 HH TYR 26 -4.167 4.544 -1.368 206 H ALA 27 H ALA 27 -0.844 10.526 2.273 207 HA ALA 27 HA ALA 27 0.880 11.498 4.386 208 HB1 ALA 27 1HB ALA 27 1.974 12.388 2.392 209 HB2 ALA 27 2HB ALA 27 1.227 13.685 3.327 210 HB3 ALA 27 3HB ALA 27 0.448 13.093 1.859 211 H THR 28 H THR 28 -0.107 13.444 5.412 212 HA THR 28 HA THR 28 -2.977 13.131 5.515 213 HB THR 28 HB THR 28 -2.690 14.954 7.336 214 HG1 THR 28 1HG THR 28 -0.700 15.546 7.780 215 HG21 THR 28 3HG2 THR 28 -1.425 12.231 7.670 216 HG22 THR 28 1HG2 THR 28 -3.146 12.590 7.799 217 HG23 THR 28 2HG2 THR 28 -2.015 13.263 8.971 218 H TRP 29 H TRP 29 -0.923 15.000 3.678 219 HA TRP 29 HA TRP 29 -2.748 17.296 3.650 220 HB2 TRP 29 1HB TRP 29 -0.812 18.512 2.590 221 HB3 TRP 29 2HB TRP 29 -0.566 18.005 4.257 222 HD1 TRP 29 HD TRP 29 0.224 16.598 0.740 223 HE1 TRP 29 1HE TRP 29 2.550 15.487 0.824 224 HE3 TRP 29 3HE TRP 29 1.259 17.316 5.683 225 HZ2 TRP 29 2HZ TRP 29 4.559 14.992 2.754 226 HZ3 TRP 29 3HZ TRP 29 3.400 16.500 6.574 227 HH2 TRP 29 HH TRP 29 5.014 15.365 5.140 228 H CYS 30 H CYS 30 -3.150 14.782 2.145 229 HA CYS 30 HA CYS 30 -3.283 16.010 -0.520 230 HB2 CYS 30 1HB CYS 30 -3.061 13.506 -1.307 231 HB3 CYS 30 2HB CYS 30 -1.632 14.475 -0.966 232 H GLY 31 H GLY 31 -5.179 16.058 -1.396 233 HA2 GLY 31 1HA GLY 31 -7.533 15.295 -0.100 234 HA3 GLY 31 2HA GLY 31 -7.407 15.775 -1.781 235 HA PRO 32 HA PRO 32 -7.822 11.587 -3.280 236 HB2 PRO 32 1HB PRO 32 -4.937 10.891 -3.400 237 HB3 PRO 32 2HB PRO 32 -6.167 10.810 -4.666 238 HG2 PRO 32 1HG PRO 32 -4.312 12.714 -4.701 239 HG3 PRO 32 2HG PRO 32 -5.986 13.065 -5.170 240 HD2 PRO 32 1HD PRO 32 -4.570 13.674 -2.604 241 HD3 PRO 32 2HD PRO 32 -5.713 14.673 -3.516 242 H CYS 33 H CYS 33 -5.158 11.809 -0.998 243 HA CYS 33 HA CYS 33 -5.255 9.243 0.106 244 HB2 CYS 33 1HB CYS 33 -4.512 11.814 1.505 245 HB3 CYS 33 2HB CYS 33 -3.982 10.190 1.928 246 H LYS 34 H LYS 34 -7.150 12.106 0.776 247 HA LYS 34 HA LYS 34 -8.324 11.210 3.175 248 HB2 LYS 34 1HB LYS 34 -9.505 13.063 1.095 249 HB3 LYS 34 2HB LYS 34 -10.025 12.916 2.768 250 HG2 LYS 34 1HG LYS 34 -7.920 13.802 3.547 251 HG3 LYS 34 2HG LYS 34 -7.293 13.837 1.898 252 HD2 LYS 34 1HD LYS 34 -7.966 16.055 2.453 253 HD3 LYS 34 2HD LYS 34 -9.152 15.412 1.319 254 HE2 LYS 34 1HE LYS 34 -10.301 16.588 3.071 255 HE3 LYS 34 2HE LYS 34 -10.621 14.862 3.235 256 HZ1 LYS 34 3HZ LYS 34 -9.001 14.737 4.991 257 HZ2 LYS 34 1HZ LYS 34 -10.126 15.942 5.363 258 HZ3 LYS 34 2HZ LYS 34 -8.591 16.364 4.794 259 H MET 35 H MET 35 -9.547 11.121 -0.186 260 HA MET 35 HA MET 35 -11.993 9.913 0.482 261 HB2 MET 35 1HB MET 35 -12.243 9.420 -1.895 262 HB3 MET 35 2HB MET 35 -11.717 11.069 -1.619 263 HG2 MET 35 1HG MET 35 -9.447 10.440 -2.226 264 HG3 MET 35 2HG MET 35 -9.977 8.776 -2.467 265 HE1 MET 35 3HE MET 35 -9.029 8.668 -4.923 266 HE2 MET 35 1HE MET 35 -8.382 10.291 -4.697 267 HE3 MET 35 2HE MET 35 -9.323 9.912 -6.138 268 H ILE 36 H ILE 36 -8.969 8.365 -0.598 269 HA ILE 36 HA ILE 36 -10.215 5.797 -0.651 270 HB ILE 36 HB ILE 36 -8.438 5.617 -2.039 271 HG12 ILE 36 1HG1 ILE 36 -8.142 4.025 -0.022 272 HG13 ILE 36 2HG1 ILE 36 -6.836 4.175 -1.180 273 HG21 ILE 36 1HG2 ILE 36 -7.619 7.848 -1.770 274 HG22 ILE 36 2HG2 ILE 36 -6.265 6.717 -1.756 275 HG23 ILE 36 3HG2 ILE 36 -6.848 7.419 -0.245 276 HD11 ILE 36 3HD1 ILE 36 -6.915 5.749 1.380 277 HD12 ILE 36 1HD1 ILE 36 -5.541 5.475 0.308 278 HD13 ILE 36 2HD1 ILE 36 -6.190 4.142 1.266 279 H ALA 37 H ALA 37 -8.785 7.777 1.752 280 HA ALA 37 HA ALA 37 -7.721 5.892 3.460 281 HB1 ALA 37 1HB ALA 37 -9.061 8.448 4.301 282 HB2 ALA 37 2HB ALA 37 -7.426 8.328 3.630 283 HB3 ALA 37 3HB ALA 37 -7.814 7.551 5.175 284 HA PRO 38 HA PRO 38 -12.030 5.110 5.456 285 HB2 PRO 38 1HB PRO 38 -14.213 5.880 4.007 286 HB3 PRO 38 2HB PRO 38 -13.545 6.815 5.349 287 HG2 PRO 38 1HG PRO 38 -13.155 7.173 2.409 288 HG3 PRO 38 2HG PRO 38 -13.412 8.401 3.663 289 HD2 PRO 38 1HD PRO 38 -10.971 7.880 2.662 290 HD3 PRO 38 2HD PRO 38 -11.214 8.336 4.359 291 H MET 39 H MET 39 -11.726 5.242 1.893 292 HA MET 39 HA MET 39 -13.315 2.941 1.428 293 HB2 MET 39 1HB MET 39 -11.151 4.195 -0.240 294 HB3 MET 39 2HB MET 39 -12.100 2.822 -0.782 295 HG2 MET 39 1HG MET 39 -13.154 5.543 -0.052 296 HG3 MET 39 2HG MET 39 -12.993 4.880 -1.678 297 HE1 MET 39 3HE MET 39 -15.576 5.512 -2.112 298 HE2 MET 39 1HE MET 39 -15.679 6.140 -0.469 299 HE3 MET 39 2HE MET 39 -16.885 4.992 -1.051 300 H ILE 40 H ILE 40 -9.688 3.097 1.394 301 HA ILE 40 HA ILE 40 -9.493 0.279 1.357 302 HB ILE 40 HB ILE 40 -7.502 2.474 1.876 303 HG12 ILE 40 1HG1 ILE 40 -7.672 0.220 -0.139 304 HG13 ILE 40 2HG1 ILE 40 -8.373 1.814 -0.388 305 HG21 ILE 40 1HG2 ILE 40 -6.907 -0.474 2.099 306 HG22 ILE 40 2HG2 ILE 40 -6.882 0.685 3.428 307 HG23 ILE 40 3HG2 ILE 40 -5.727 0.839 2.103 308 HD11 ILE 40 3HD1 ILE 40 -6.018 2.690 -0.012 309 HD12 ILE 40 1HD1 ILE 40 -6.385 1.883 -1.537 310 HD13 ILE 40 2HD1 ILE 40 -5.501 1.022 -0.267 311 H GLU 41 H GLU 41 -9.931 2.532 3.972 312 HA GLU 41 HA GLU 41 -9.451 0.820 6.133 313 HB2 GLU 41 1HB GLU 41 -10.038 3.200 6.385 314 HB3 GLU 41 2HB GLU 41 -11.659 2.862 5.793 315 HG2 GLU 41 1HG GLU 41 -11.644 3.098 8.201 316 HG3 GLU 41 2HG GLU 41 -12.085 1.457 7.733 317 H LYS 42 H LYS 42 -12.366 1.224 4.113 318 HA LYS 42 HA LYS 42 -13.900 -0.745 5.415 319 HB2 LYS 42 1HB LYS 42 -14.928 0.890 3.947 320 HB3 LYS 42 2HB LYS 42 -14.006 0.285 2.576 321 HG2 LYS 42 1HG LYS 42 -15.210 -1.970 3.197 322 HG3 LYS 42 2HG LYS 42 -16.381 -0.871 3.928 323 HD2 LYS 42 1HD LYS 42 -15.402 -0.697 1.091 324 HD3 LYS 42 2HD LYS 42 -16.907 -1.476 1.577 325 HE2 LYS 42 1HE LYS 42 -17.653 0.687 2.546 326 HE3 LYS 42 2HE LYS 42 -16.188 1.436 1.913 327 HZ1 LYS 42 3HZ LYS 42 -18.317 0.138 0.302 328 HZ2 LYS 42 1HZ LYS 42 -16.905 0.824 -0.323 329 HZ3 LYS 42 2HZ LYS 42 -18.055 1.801 0.439 330 H PHE 43 H PHE 43 -11.871 -0.897 2.528 331 HA PHE 43 HA PHE 43 -12.365 -3.590 1.970 332 HB2 PHE 43 1HB PHE 43 -10.022 -1.871 1.167 333 HB3 PHE 43 2HB PHE 43 -10.374 -3.468 0.518 334 HD1 PHE 43 2HD PHE 43 -13.508 -2.238 0.992 335 HD2 PHE 43 1HD PHE 43 -10.090 -1.538 -1.457 336 HE1 PHE 43 2HE PHE 43 -14.941 -1.203 -0.722 337 HE2 PHE 43 1HE PHE 43 -11.523 -0.492 -3.157 338 HZ PHE 43 HZ PHE 43 -13.950 -0.326 -2.794 339 H SER 44 H SER 44 -10.492 -2.124 4.391 340 HA SER 44 HA SER 44 -8.713 -4.393 4.727 341 HB2 SER 44 1HB SER 44 -7.581 -3.142 6.398 342 HB3 SER 44 2HB SER 44 -8.007 -1.972 5.151 343 HG SER 44 HG SER 44 -9.814 -1.383 6.463 344 H GLU 45 H GLU 45 -11.780 -3.310 5.760 345 HA GLU 45 HA GLU 45 -11.915 -5.193 7.945 346 HB2 GLU 45 1HB GLU 45 -13.389 -3.148 7.754 347 HB3 GLU 45 2HB GLU 45 -14.218 -3.948 6.426 348 HG2 GLU 45 1HG GLU 45 -14.906 -5.744 7.908 349 HG3 GLU 45 2HG GLU 45 -14.032 -4.994 9.242 350 H GLN 46 H GLN 46 -12.208 -5.182 4.529 351 HA GLN 46 HA GLN 46 -13.140 -7.971 4.593 352 HB2 GLN 46 1HB GLN 46 -13.779 -7.276 2.091 353 HB3 GLN 46 2HB GLN 46 -14.880 -7.107 3.451 354 HG2 GLN 46 1HG GLN 46 -14.752 -4.846 3.450 355 HG3 GLN 46 2HG GLN 46 -13.085 -4.816 2.875 356 HE21 GLN 46 1HE2 GLN 46 -15.553 -3.416 2.006 357 HE22 GLN 46 2HE2 GLN 46 -15.697 -3.744 0.316 358 H TYR 47 H TYR 47 -10.321 -7.054 4.619 359 HA TYR 47 HA TYR 47 -9.492 -8.325 2.113 360 HB2 TYR 47 1HB TYR 47 -7.299 -7.455 2.371 361 HB3 TYR 47 2HB TYR 47 -8.424 -6.148 2.709 362 HD1 TYR 47 2HD TYR 47 -9.013 -7.265 5.604 363 HD2 TYR 47 1HD TYR 47 -5.458 -6.324 3.482 364 HE1 TYR 47 2HE TYR 47 -7.846 -6.879 7.738 365 HE2 TYR 47 1HE TYR 47 -4.302 -5.967 5.584 366 HH TYR 47 HH TYR 47 -5.590 -6.855 8.622 367 HA PRO 48 HA PRO 48 -9.339 -11.874 5.011 368 HB2 PRO 48 1HB PRO 48 -9.466 -13.404 2.494 369 HB3 PRO 48 2HB PRO 48 -10.485 -13.512 3.931 370 HG2 PRO 48 1HG PRO 48 -11.389 -12.433 1.656 371 HG3 PRO 48 2HG PRO 48 -11.868 -11.797 3.239 372 HD2 PRO 48 1HD PRO 48 -9.860 -10.725 1.299 373 HD3 PRO 48 2HD PRO 48 -11.041 -9.852 2.294 374 H GLN 49 H GLN 49 -7.585 -11.805 1.874 375 HA GLN 49 HA GLN 49 -5.504 -13.420 3.137 376 HB2 GLN 49 1HB GLN 49 -6.770 -14.131 1.031 377 HB3 GLN 49 2HB GLN 49 -5.725 -12.994 0.193 378 HG2 GLN 49 1HG GLN 49 -3.793 -14.217 1.279 379 HG3 GLN 49 2HG GLN 49 -4.976 -15.442 1.729 380 HE21 GLN 49 1HE2 GLN 49 -3.193 -13.989 -0.835 381 HE22 GLN 49 2HE2 GLN 49 -3.578 -15.155 -2.049 382 H ALA 50 H ALA 50 -5.683 -10.424 3.346 383 HA ALA 50 HA ALA 50 -3.128 -9.810 2.042 384 HB1 ALA 50 1HB ALA 50 -4.950 -8.786 0.763 385 HB2 ALA 50 2HB ALA 50 -3.904 -7.578 1.505 386 HB3 ALA 50 3HB ALA 50 -5.475 -7.937 2.213 387 H ASP 51 H ASP 51 -1.834 -8.300 3.041 388 HA ASP 51 HA ASP 51 -2.619 -7.442 5.744 389 HB2 ASP 51 1HB ASP 51 -0.040 -8.323 4.589 390 HB3 ASP 51 2HB ASP 51 0.045 -6.933 5.667 391 H PHE 52 H PHE 52 -3.013 -5.332 5.992 392 HA PHE 52 HA PHE 52 -2.532 -3.619 3.663 393 HB2 PHE 52 1HB PHE 52 -4.802 -4.021 5.396 394 HB3 PHE 52 2HB PHE 52 -4.309 -2.337 5.422 395 HD1 PHE 52 1HD PHE 52 -3.313 -2.270 2.501 396 HD2 PHE 52 2HD PHE 52 -6.855 -3.722 4.342 397 HE1 PHE 52 1HE PHE 52 -4.558 -1.878 0.413 398 HE2 PHE 52 2HE PHE 52 -8.107 -3.336 2.276 399 HZ PHE 52 HZ PHE 52 -6.959 -2.416 0.295 400 H TYR 53 H TYR 53 -0.866 -2.218 3.924 401 HA TYR 53 HA TYR 53 -0.669 -0.903 6.550 402 HB2 TYR 53 1HB TYR 53 1.729 -1.563 4.830 403 HB3 TYR 53 2HB TYR 53 1.722 -0.924 6.480 404 HD1 TYR 53 2HD TYR 53 0.176 -2.528 8.092 405 HD2 TYR 53 1HD TYR 53 2.409 -3.768 4.702 406 HE1 TYR 53 2HE TYR 53 0.297 -4.799 9.019 407 HE2 TYR 53 1HE TYR 53 2.534 -6.052 5.617 408 HH TYR 53 HH TYR 53 0.593 -7.184 8.026 409 H LYS 54 H LYS 54 -0.440 1.263 6.525 410 HA LYS 54 HA LYS 54 -0.237 2.579 3.875 411 HB2 LYS 54 1HB LYS 54 -2.403 2.651 5.685 412 HB3 LYS 54 2HB LYS 54 -1.589 4.191 5.877 413 HG2 LYS 54 1HG LYS 54 -2.692 4.941 4.111 414 HG3 LYS 54 2HG LYS 54 -1.819 3.788 3.109 415 HD2 LYS 54 1HD LYS 54 -4.243 3.532 2.784 416 HD3 LYS 54 2HD LYS 54 -3.555 2.100 3.553 417 HE2 LYS 54 1HE LYS 54 -5.718 2.887 4.536 418 HE3 LYS 54 2HE LYS 54 -4.397 2.726 5.686 419 HZ1 LYS 54 3HZ LYS 54 -4.055 5.130 5.535 420 HZ2 LYS 54 1HZ LYS 54 -5.607 4.749 6.079 421 HZ3 LYS 54 2HZ LYS 54 -5.371 5.257 4.485 422 H LEU 55 H LEU 55 1.600 3.802 3.747 423 HA LEU 55 HA LEU 55 2.886 4.465 6.314 424 HB2 LEU 55 1HB LEU 55 4.137 4.678 3.609 425 HB3 LEU 55 2HB LEU 55 4.923 4.695 5.172 426 HG LEU 55 HG LEU 55 3.818 2.394 3.662 427 HD11 LEU 55 1HD1 LEU 55 5.931 1.448 4.156 428 HD12 LEU 55 2HD1 LEU 55 6.257 2.703 5.352 429 HD13 LEU 55 3HD1 LEU 55 6.205 3.114 3.638 430 HD21 LEU 55 3HD2 LEU 55 4.190 2.491 6.638 431 HD22 LEU 55 1HD2 LEU 55 3.987 1.014 5.699 432 HD23 LEU 55 2HD2 LEU 55 2.683 2.197 5.777 433 H ASP 56 H ASP 56 3.923 6.541 6.594 434 HA ASP 56 HA ASP 56 2.640 8.666 5.071 435 HB2 ASP 56 1HB ASP 56 3.437 10.197 6.743 436 HB3 ASP 56 2HB ASP 56 2.659 8.858 7.562 437 H VAL 57 H VAL 57 3.624 9.338 3.350 438 HA VAL 57 HA VAL 57 6.137 8.395 2.540 439 HB VAL 57 HB VAL 57 4.019 9.320 1.260 440 HG11 VAL 57 1HG1 VAL 57 5.799 11.753 1.280 441 HG12 VAL 57 2HG1 VAL 57 4.226 11.619 2.067 442 HG13 VAL 57 3HG1 VAL 57 4.345 11.531 0.307 443 HG21 VAL 57 3HG2 VAL 57 6.838 9.576 0.265 444 HG22 VAL 57 1HG2 VAL 57 5.398 9.527 -0.752 445 HG23 VAL 57 2HG2 VAL 57 5.823 8.133 0.242 446 H ASP 58 H ASP 58 5.347 10.890 4.640 447 HA ASP 58 HA ASP 58 7.365 12.783 3.985 448 HB2 ASP 58 1HB ASP 58 5.379 13.441 5.210 449 HB3 ASP 58 2HB ASP 58 5.777 12.331 6.516 450 H GLU 59 H GLU 59 7.077 10.351 6.599 451 HA GLU 59 HA GLU 59 9.929 10.566 7.119 452 HB2 GLU 59 1HB GLU 59 7.730 8.905 8.332 453 HB3 GLU 59 2HB GLU 59 9.422 8.674 8.752 454 HG2 GLU 59 1HG GLU 59 7.975 11.294 9.025 455 HG3 GLU 59 2HG GLU 59 8.131 10.114 10.325 456 H LEU 60 H LEU 60 7.740 8.579 5.326 457 HA LEU 60 HA LEU 60 9.846 6.617 4.833 458 HB2 LEU 60 1HB LEU 60 6.880 6.553 4.327 459 HB3 LEU 60 2HB LEU 60 7.975 5.400 3.583 460 HG LEU 60 HG LEU 60 7.032 4.356 5.498 461 HD11 LEU 60 1HD1 LEU 60 9.424 3.939 5.140 462 HD12 LEU 60 2HD1 LEU 60 8.970 3.828 6.842 463 HD13 LEU 60 3HD1 LEU 60 9.803 5.262 6.247 464 HD21 LEU 60 3HD2 LEU 60 6.253 6.326 6.686 465 HD22 LEU 60 1HD2 LEU 60 7.916 6.738 7.112 466 HD23 LEU 60 2HD2 LEU 60 7.179 5.269 7.755 467 H GLY 61 H GLY 61 10.379 9.049 3.735 468 HA2 GLY 61 1HA GLY 61 9.564 9.129 0.973 469 HA3 GLY 61 2HA GLY 61 10.787 10.137 1.732 470 H ASP 62 H ASP 62 12.360 7.985 2.772 471 HA ASP 62 HA ASP 62 14.044 7.561 0.543 472 HB2 ASP 62 1HB ASP 62 14.912 7.672 2.830 473 HB3 ASP 62 2HB ASP 62 14.056 6.191 3.236 474 H VAL 63 H VAL 63 11.794 5.443 2.266 475 HA VAL 63 HA VAL 63 12.324 3.153 0.684 476 HB VAL 63 HB VAL 63 11.254 2.802 2.800 477 HG11 VAL 63 1HG1 VAL 63 9.012 4.504 1.798 478 HG12 VAL 63 2HG1 VAL 63 10.144 4.885 3.097 479 HG13 VAL 63 3HG1 VAL 63 9.003 3.554 3.285 480 HG21 VAL 63 3HG2 VAL 63 9.263 1.510 2.157 481 HG22 VAL 63 1HG2 VAL 63 10.644 1.204 1.102 482 HG23 VAL 63 2HG2 VAL 63 9.335 2.256 0.560 483 H ALA 64 H ALA 64 9.958 5.775 0.412 484 HA ALA 64 HA ALA 64 8.557 4.811 -1.805 485 HB1 ALA 64 1HB ALA 64 7.845 6.755 -0.490 486 HB2 ALA 64 2HB ALA 64 7.910 7.117 -2.216 487 HB3 ALA 64 3HB ALA 64 9.193 7.685 -1.147 488 H GLN 65 H GLN 65 11.415 6.926 -1.681 489 HA GLN 65 HA GLN 65 11.833 7.133 -4.445 490 HB2 GLN 65 1HB GLN 65 13.752 7.285 -2.123 491 HB3 GLN 65 2HB GLN 65 14.221 7.635 -3.781 492 HG2 GLN 65 1HG GLN 65 12.045 9.080 -2.284 493 HG3 GLN 65 2HG GLN 65 13.712 9.642 -2.425 494 HE21 GLN 65 1HE2 GLN 65 14.468 10.370 -4.416 495 HE22 GLN 65 2HE2 GLN 65 13.397 10.801 -5.703 496 H LYS 66 H LYS 66 12.709 4.627 -2.168 497 HA LYS 66 HA LYS 66 14.597 3.336 -3.818 498 HB2 LYS 66 1HB LYS 66 15.052 2.317 -1.892 499 HB3 LYS 66 2HB LYS 66 13.657 3.103 -1.167 500 HG2 LYS 66 1HG LYS 66 12.279 1.240 -2.087 501 HG3 LYS 66 2HG LYS 66 13.781 0.409 -2.480 502 HD2 LYS 66 1HD LYS 66 12.859 1.265 0.266 503 HD3 LYS 66 2HD LYS 66 12.927 -0.385 -0.349 504 HE2 LYS 66 1HE LYS 66 15.299 1.436 0.040 505 HE3 LYS 66 2HE LYS 66 14.812 0.151 1.141 506 HZ1 LYS 66 3HZ LYS 66 15.145 -1.431 -0.703 507 HZ2 LYS 66 1HZ LYS 66 16.565 -0.630 -0.259 508 HZ3 LYS 66 2HZ LYS 66 15.738 -0.172 -1.660 509 H ASN 67 H ASN 67 11.145 3.201 -3.522 510 HA ASN 67 HA ASN 67 11.001 0.854 -5.259 511 HB2 ASN 67 1HB ASN 67 8.924 2.401 -3.715 512 HB3 ASN 67 2HB ASN 67 8.484 1.197 -4.921 513 HD21 ASN 67 1HD2 ASN 67 9.918 1.748 -1.805 514 HD22 ASN 67 2HD2 ASN 67 9.880 0.096 -1.287 515 H GLU 68 H GLU 68 11.721 3.830 -5.858 516 HA GLU 68 HA GLU 68 11.536 5.294 -7.570 517 HB2 GLU 68 1HB GLU 68 10.305 2.934 -8.999 518 HB3 GLU 68 2HB GLU 68 10.821 4.424 -9.776 519 HG2 GLU 68 1HG GLU 68 13.126 3.966 -8.921 520 HG3 GLU 68 2HG GLU 68 12.543 2.388 -8.393 521 H VAL 69 H VAL 69 9.570 5.420 -5.640 522 HA VAL 69 HA VAL 69 7.087 5.951 -7.101 523 HB VAL 69 HB VAL 69 7.647 5.896 -4.130 524 HG11 VAL 69 1HG1 VAL 69 5.236 6.054 -3.838 525 HG12 VAL 69 2HG1 VAL 69 5.022 6.191 -5.583 526 HG13 VAL 69 3HG1 VAL 69 5.856 7.464 -4.694 527 HG21 VAL 69 3HG2 VAL 69 6.205 3.944 -5.919 528 HG22 VAL 69 1HG2 VAL 69 6.289 3.845 -4.161 529 HG23 VAL 69 2HG2 VAL 69 7.758 3.691 -5.124 530 H SER 70 H SER 70 7.017 7.935 -7.960 531 HA SER 70 HA SER 70 8.054 10.168 -6.354 532 HB2 SER 70 1HB SER 70 8.030 11.405 -8.579 533 HB3 SER 70 2HB SER 70 9.210 10.103 -8.431 534 HG SER 70 HG SER 70 8.100 8.898 -9.814 535 H ALA 71 H ALA 71 5.253 8.729 -7.658 536 HA ALA 71 HA ALA 71 3.667 11.173 -7.386 537 HB1 ALA 71 1HB ALA 71 3.311 9.855 -9.408 538 HB2 ALA 71 2HB ALA 71 1.854 9.871 -8.412 539 HB3 ALA 71 3HB ALA 71 2.894 8.447 -8.429 540 H MET 72 H MET 72 1.524 10.939 -6.287 541 HA MET 72 HA MET 72 1.337 8.796 -4.318 542 HB2 MET 72 1HB MET 72 0.897 10.328 -2.470 543 HB3 MET 72 2HB MET 72 2.488 10.658 -3.140 544 HG2 MET 72 1HG MET 72 1.642 12.770 -2.833 545 HG3 MET 72 2HG MET 72 1.262 12.467 -4.526 546 HE1 MET 72 3HE MET 72 -0.667 13.806 -5.159 547 HE2 MET 72 1HE MET 72 -0.318 14.784 -3.731 548 HE3 MET 72 2HE MET 72 -1.979 14.293 -4.077 549 HA PRO 73 HA PRO 73 -0.207 8.238 -2.678 550 HB2 PRO 73 1HB PRO 73 -2.491 6.544 -3.417 551 HB3 PRO 73 2HB PRO 73 -2.090 7.269 -1.858 552 HG2 PRO 73 1HG PRO 73 -4.154 8.154 -3.305 553 HG3 PRO 73 2HG PRO 73 -3.138 9.269 -2.370 554 HD2 PRO 73 1HD PRO 73 -3.058 8.652 -5.307 555 HD3 PRO 73 2HD PRO 73 -2.995 10.229 -4.490 556 H THR 74 H THR 74 0.251 5.779 -2.604 557 HA THR 74 HA THR 74 0.463 4.561 -5.230 558 HB THR 74 HB THR 74 2.884 5.082 -3.503 559 HG1 THR 74 1HG THR 74 1.766 6.444 -5.486 560 HG21 THR 74 3HG2 THR 74 2.621 3.448 -6.031 561 HG22 THR 74 1HG2 THR 74 3.001 2.832 -4.425 562 HG23 THR 74 2HG2 THR 74 4.143 3.887 -5.257 563 H LEU 75 H LEU 75 -0.310 2.599 -5.016 564 HA LEU 75 HA LEU 75 -0.094 1.228 -2.424 565 HB2 LEU 75 1HB LEU 75 -2.197 1.393 -4.506 566 HB3 LEU 75 2HB LEU 75 -1.978 -0.152 -3.717 567 HG LEU 75 HG LEU 75 -3.768 1.229 -2.706 568 HD11 LEU 75 1HD1 LEU 75 -3.023 0.971 -0.370 569 HD12 LEU 75 2HD1 LEU 75 -1.393 0.635 -0.958 570 HD13 LEU 75 3HD1 LEU 75 -2.719 -0.454 -1.360 571 HD21 LEU 75 3HD2 LEU 75 -1.485 3.060 -2.015 572 HD22 LEU 75 1HD2 LEU 75 -3.098 3.151 -1.309 573 HD23 LEU 75 2HD2 LEU 75 -2.876 3.428 -3.036 574 H LEU 76 H LEU 76 1.484 -0.243 -2.490 575 HA LEU 76 HA LEU 76 1.685 -1.906 -4.914 576 HB2 LEU 76 1HB LEU 76 4.014 -1.155 -3.135 577 HB3 LEU 76 2HB LEU 76 4.081 -2.013 -4.660 578 HG LEU 76 HG LEU 76 3.282 0.880 -4.351 579 HD11 LEU 76 1HD1 LEU 76 5.872 -0.338 -5.300 580 HD12 LEU 76 2HD1 LEU 76 5.628 0.544 -3.793 581 HD13 LEU 76 3HD1 LEU 76 5.464 1.377 -5.338 582 HD21 LEU 76 3HD2 LEU 76 3.550 0.941 -6.790 583 HD22 LEU 76 1HD2 LEU 76 2.265 -0.157 -6.289 584 HD23 LEU 76 2HD2 LEU 76 3.828 -0.800 -6.791 585 H LEU 77 H LEU 77 0.995 -3.867 -4.420 586 HA LEU 77 HA LEU 77 1.602 -4.871 -1.748 587 HB2 LEU 77 1HB LEU 77 0.264 -6.877 -3.116 588 HB3 LEU 77 2HB LEU 77 -0.387 -5.815 -1.891 589 HG LEU 77 HG LEU 77 -0.425 -5.120 -4.825 590 HD11 LEU 77 1HD1 LEU 77 -1.610 -7.205 -4.520 591 HD12 LEU 77 2HD1 LEU 77 -2.790 -5.909 -4.712 592 HD13 LEU 77 3HD1 LEU 77 -2.451 -6.560 -3.108 593 HD21 LEU 77 3HD2 LEU 77 -0.766 -3.343 -3.009 594 HD22 LEU 77 1HD2 LEU 77 -2.284 -4.170 -2.661 595 HD23 LEU 77 2HD2 LEU 77 -2.003 -3.479 -4.259 596 H PHE 78 H PHE 78 3.075 -6.286 -1.335 597 HA PHE 78 HA PHE 78 4.602 -7.301 -3.609 598 HB2 PHE 78 1HB PHE 78 5.401 -6.346 -0.900 599 HB3 PHE 78 2HB PHE 78 6.412 -7.522 -1.724 600 HD1 PHE 78 2HD PHE 78 4.909 -4.148 -2.062 601 HD2 PHE 78 1HD PHE 78 7.941 -6.840 -3.353 602 HE1 PHE 78 2HE PHE 78 6.004 -2.322 -3.292 603 HE2 PHE 78 1HE PHE 78 9.042 -5.017 -4.582 604 HZ PHE 78 HZ PHE 78 8.073 -2.756 -4.551 605 H LYS 79 H LYS 79 5.571 -9.387 -3.443 606 HA LYS 79 HA LYS 79 4.483 -11.125 -1.363 607 HB2 LYS 79 1HB LYS 79 2.955 -11.200 -3.260 608 HB3 LYS 79 2HB LYS 79 4.281 -11.596 -4.338 609 HG2 LYS 79 1HG LYS 79 4.564 -13.726 -3.203 610 HG3 LYS 79 2HG LYS 79 3.302 -13.300 -2.046 611 HD2 LYS 79 1HD LYS 79 1.712 -13.114 -3.957 612 HD3 LYS 79 2HD LYS 79 2.983 -13.731 -5.014 613 HE2 LYS 79 1HE LYS 79 3.085 -15.784 -3.688 614 HE3 LYS 79 2HE LYS 79 1.821 -15.162 -2.628 615 HZ1 LYS 79 3HZ LYS 79 0.331 -15.089 -4.551 616 HZ2 LYS 79 1HZ LYS 79 0.887 -16.657 -4.247 617 HZ3 LYS 79 2HZ LYS 79 1.542 -15.759 -5.521 618 H ASN 80 H ASN 80 6.126 -12.117 -0.496 619 HA ASN 80 HA ASN 80 8.244 -12.837 -0.075 620 HB2 ASN 80 1HB ASN 80 8.727 -14.219 -2.585 621 HB3 ASN 80 2HB ASN 80 8.544 -14.871 -0.965 622 HD21 ASN 80 1HD2 ASN 80 7.036 -14.227 -3.980 623 HD22 ASN 80 2HD2 ASN 80 5.545 -15.033 -3.656 624 H GLY 81 H GLY 81 8.255 -10.262 -1.156 625 HA2 GLY 81 1HA GLY 81 9.800 -8.726 -1.875 626 HA3 GLY 81 2HA GLY 81 10.983 -10.021 -1.876 627 H LYS 82 H LYS 82 8.328 -10.798 -3.824 628 HA LYS 82 HA LYS 82 9.889 -10.084 -6.214 629 HB2 LYS 82 1HB LYS 82 7.946 -12.326 -5.670 630 HB3 LYS 82 2HB LYS 82 8.523 -11.931 -7.274 631 HG2 LYS 82 1HG LYS 82 10.216 -12.804 -4.949 632 HG3 LYS 82 2HG LYS 82 9.754 -13.793 -6.335 633 HD2 LYS 82 1HD LYS 82 10.924 -12.157 -7.809 634 HD3 LYS 82 2HD LYS 82 11.497 -11.331 -6.358 635 HE2 LYS 82 1HE LYS 82 13.201 -12.835 -7.222 636 HE3 LYS 82 2HE LYS 82 12.632 -13.380 -5.647 637 HZ1 LYS 82 3HZ LYS 82 11.681 -14.461 -8.240 638 HZ2 LYS 82 1HZ LYS 82 11.293 -15.042 -6.701 639 HZ3 LYS 82 2HZ LYS 82 12.872 -15.185 -7.286 640 H GLU 83 H GLU 83 7.498 -8.973 -4.471 641 HA GLU 83 HA GLU 83 5.772 -7.584 -4.759 642 HB2 GLU 83 1HB GLU 83 7.339 -6.677 -6.592 643 HB3 GLU 83 2HB GLU 83 6.293 -7.528 -7.719 644 HG2 GLU 83 1HG GLU 83 4.394 -6.204 -7.008 645 HG3 GLU 83 2HG GLU 83 5.386 -5.393 -5.797 646 H VAL 84 H VAL 84 3.587 -7.403 -6.005 647 HA VAL 84 HA VAL 84 2.860 -9.882 -7.330 648 HB VAL 84 HB VAL 84 2.293 -9.884 -4.790 649 HG11 VAL 84 1HG1 VAL 84 1.180 -7.819 -4.542 650 HG12 VAL 84 2HG1 VAL 84 -0.055 -9.076 -4.399 651 HG13 VAL 84 3HG1 VAL 84 0.103 -8.158 -5.895 652 HG21 VAL 84 3HG2 VAL 84 0.311 -10.666 -6.906 653 HG22 VAL 84 1HG2 VAL 84 0.283 -11.233 -5.235 654 HG23 VAL 84 2HG2 VAL 84 1.643 -11.639 -6.282 655 H ALA 85 H ALA 85 2.174 -6.552 -6.515 656 HA ALA 85 HA ALA 85 1.073 -6.105 -9.152 657 HB1 ALA 85 1HB ALA 85 -0.625 -5.558 -6.728 658 HB2 ALA 85 2HB ALA 85 -0.939 -6.792 -7.949 659 HB3 ALA 85 3HB ALA 85 -1.001 -5.078 -8.383 660 H LYS 86 H LYS 86 0.715 -3.835 -9.581 661 HA LYS 86 HA LYS 86 1.896 -2.035 -7.633 662 HB2 LYS 86 1HB LYS 86 3.796 -2.429 -8.977 663 HB3 LYS 86 2HB LYS 86 2.853 -2.434 -10.459 664 HG2 LYS 86 1HG LYS 86 2.471 -0.033 -10.232 665 HG3 LYS 86 2HG LYS 86 3.406 -0.023 -8.740 666 HD2 LYS 86 1HD LYS 86 4.603 -1.011 -11.305 667 HD3 LYS 86 2HD LYS 86 4.547 0.710 -10.936 668 HE2 LYS 86 1HE LYS 86 6.639 0.069 -10.160 669 HE3 LYS 86 2HE LYS 86 5.644 0.054 -8.706 670 HZ1 LYS 86 3HZ LYS 86 7.078 -1.896 -8.863 671 HZ2 LYS 86 1HZ LYS 86 6.360 -2.333 -10.328 672 HZ3 LYS 86 2HZ LYS 86 5.453 -2.349 -8.902 673 H VAL 87 H VAL 87 0.423 -0.520 -7.253 674 HA VAL 87 HA VAL 87 -0.888 0.699 -9.597 675 HB VAL 87 HB VAL 87 -2.027 0.734 -6.796 676 HG11 VAL 87 1HG1 VAL 87 -2.678 2.591 -8.218 677 HG12 VAL 87 2HG1 VAL 87 -4.051 1.515 -7.934 678 HG13 VAL 87 3HG1 VAL 87 -3.197 1.465 -9.475 679 HG21 VAL 87 3HG2 VAL 87 -2.032 -1.578 -7.657 680 HG22 VAL 87 1HG2 VAL 87 -2.909 -1.026 -9.084 681 HG23 VAL 87 2HG2 VAL 87 -3.662 -0.919 -7.488 682 H VAL 88 H VAL 88 -0.454 2.767 -9.898 683 HA VAL 88 HA VAL 88 0.940 4.181 -7.748 684 HB VAL 88 HB VAL 88 2.038 5.286 -9.939 685 HG11 VAL 88 1HG1 VAL 88 4.012 4.049 -9.370 686 HG12 VAL 88 2HG1 VAL 88 3.051 2.742 -8.677 687 HG13 VAL 88 3HG1 VAL 88 3.098 4.318 -7.881 688 HG21 VAL 88 3HG2 VAL 88 2.708 3.311 -11.392 689 HG22 VAL 88 1HG2 VAL 88 1.051 3.892 -11.578 690 HG23 VAL 88 2HG2 VAL 88 1.369 2.434 -10.636 691 H GLY 89 H GLY 89 -0.919 5.212 -7.171 692 HA2 GLY 89 1HA GLY 89 -1.366 7.749 -7.900 693 HA3 GLY 89 2HA GLY 89 -2.349 6.869 -9.068 694 H ALA 90 H ALA 90 -3.939 8.316 -7.771 695 HA ALA 90 HA ALA 90 -4.770 7.362 -5.211 696 HB1 ALA 90 1HB ALA 90 -6.705 8.799 -5.522 697 HB2 ALA 90 2HB ALA 90 -6.318 8.985 -7.232 698 HB3 ALA 90 3HB ALA 90 -5.237 9.650 -6.007 699 H ASN 91 H ASN 91 -5.441 5.282 -5.029 700 HA ASN 91 HA ASN 91 -7.254 4.291 -7.118 701 HB2 ASN 91 1HB ASN 91 -6.158 2.120 -7.044 702 HB3 ASN 91 2HB ASN 91 -5.002 3.378 -7.465 703 HD21 ASN 91 1HD2 ASN 91 -4.756 0.670 -6.259 704 HD22 ASN 91 2HD2 ASN 91 -3.834 0.895 -4.819 705 HA PRO 92 HA PRO 92 -9.120 3.256 -2.953 706 HB2 PRO 92 1HB PRO 92 -11.523 4.582 -3.984 707 HB3 PRO 92 2HB PRO 92 -10.668 4.860 -2.467 708 HG2 PRO 92 1HG PRO 92 -10.687 6.647 -4.517 709 HG3 PRO 92 2HG PRO 92 -9.356 6.507 -3.357 710 HD2 PRO 92 1HD PRO 92 -9.548 5.499 -6.165 711 HD3 PRO 92 2HD PRO 92 -8.147 6.158 -5.299 712 H ALA 93 H ALA 93 -10.345 3.392 -6.269 713 HA ALA 93 HA ALA 93 -11.969 1.008 -5.890 714 HB1 ALA 93 1HB ALA 93 -11.493 2.641 -8.381 715 HB2 ALA 93 2HB ALA 93 -12.834 2.854 -7.256 716 HB3 ALA 93 3HB ALA 93 -12.689 1.361 -8.183 717 H ALA 94 H ALA 94 -9.106 2.029 -7.696 718 HA ALA 94 HA ALA 94 -8.730 -0.474 -8.992 719 HB1 ALA 94 1HB ALA 94 -7.893 1.501 -10.050 720 HB2 ALA 94 2HB ALA 94 -6.532 0.446 -9.664 721 HB3 ALA 94 3HB ALA 94 -6.861 1.863 -8.671 722 H ILE 95 H ILE 95 -7.868 0.695 -5.838 723 HA ILE 95 HA ILE 95 -5.802 -1.092 -5.252 724 HB ILE 95 HB ILE 95 -6.747 0.606 -3.619 725 HG12 ILE 95 1HG1 ILE 95 -6.043 -0.619 -1.700 726 HG13 ILE 95 2HG1 ILE 95 -6.572 -2.154 -2.388 727 HG21 ILE 95 1HG2 ILE 95 -8.749 -1.569 -3.068 728 HG22 ILE 95 2HG2 ILE 95 -9.104 -0.018 -3.841 729 HG23 ILE 95 3HG2 ILE 95 -8.560 -0.060 -2.165 730 HD11 ILE 95 3HD1 ILE 95 -4.747 -2.140 -3.938 731 HD12 ILE 95 1HD1 ILE 95 -4.118 -1.860 -2.317 732 HD13 ILE 95 2HD1 ILE 95 -4.277 -0.514 -3.445 733 H LYS 96 H LYS 96 -9.261 -1.496 -5.481 734 HA LYS 96 HA LYS 96 -9.432 -4.110 -4.512 735 HB2 LYS 96 1HB LYS 96 -11.143 -2.402 -6.201 736 HB3 LYS 96 2HB LYS 96 -11.407 -4.134 -6.348 737 HG2 LYS 96 1HG LYS 96 -11.491 -2.553 -3.790 738 HG3 LYS 96 2HG LYS 96 -12.887 -3.147 -4.692 739 HD2 LYS 96 1HD LYS 96 -12.021 -5.464 -4.378 740 HD3 LYS 96 2HD LYS 96 -10.744 -4.798 -3.345 741 HE2 LYS 96 1HE LYS 96 -12.336 -4.043 -1.742 742 HE3 LYS 96 2HE LYS 96 -13.684 -4.368 -2.830 743 HZ1 LYS 96 3HZ LYS 96 -13.446 -6.059 -1.093 744 HZ2 LYS 96 1HZ LYS 96 -11.904 -6.441 -1.674 745 HZ3 LYS 96 2HZ LYS 96 -13.261 -6.717 -2.641 746 H GLN 97 H GLN 97 -8.628 -2.882 -7.692 747 HA GLN 97 HA GLN 97 -8.560 -5.229 -9.163 748 HB2 GLN 97 1HB GLN 97 -8.207 -2.948 -10.079 749 HB3 GLN 97 2HB GLN 97 -6.637 -2.886 -9.300 750 HG2 GLN 97 1HG GLN 97 -7.268 -5.046 -11.271 751 HG3 GLN 97 2HG GLN 97 -6.803 -3.439 -11.818 752 HE21 GLN 97 1HE2 GLN 97 -4.966 -3.007 -9.588 753 HE22 GLN 97 2HE2 GLN 97 -3.578 -3.996 -9.898 754 H ALA 98 H ALA 98 -5.950 -3.750 -7.242 755 HA ALA 98 HA ALA 98 -4.248 -6.040 -7.574 756 HB1 ALA 98 1HB ALA 98 -3.391 -3.705 -7.344 757 HB2 ALA 98 2HB ALA 98 -2.643 -4.835 -6.216 758 HB3 ALA 98 3HB ALA 98 -3.904 -3.731 -5.659 759 H ILE 99 H ILE 99 -6.337 -4.837 -5.132 760 HA ILE 99 HA ILE 99 -5.351 -6.405 -2.997 761 HB ILE 99 HB ILE 99 -6.965 -4.200 -3.212 762 HG12 ILE 99 1HG1 ILE 99 -5.438 -4.918 -1.366 763 HG13 ILE 99 2HG1 ILE 99 -6.946 -4.180 -0.820 764 HG21 ILE 99 1HG2 ILE 99 -8.903 -5.762 -3.634 765 HG22 ILE 99 2HG2 ILE 99 -9.087 -4.523 -2.388 766 HG23 ILE 99 3HG2 ILE 99 -8.758 -6.200 -1.930 767 HD11 ILE 99 3HD1 ILE 99 -6.749 -7.135 -1.146 768 HD12 ILE 99 1HD1 ILE 99 -7.807 -6.194 -0.095 769 HD13 ILE 99 2HD1 ILE 99 -6.092 -6.356 0.309 770 H ALA 100 H ALA 100 -8.022 -6.801 -5.229 771 HA ALA 100 HA ALA 100 -8.941 -9.138 -3.793 772 HB1 ALA 100 1HB ALA 100 -10.807 -9.168 -5.355 773 HB2 ALA 100 2HB ALA 100 -10.053 -7.883 -6.300 774 HB3 ALA 100 3HB ALA 100 -10.599 -7.563 -4.653 775 H ALA 101 H ALA 101 -7.375 -8.339 -6.860 776 HA ALA 101 HA ALA 101 -7.657 -10.996 -7.901 777 HB1 ALA 101 1HB ALA 101 -7.566 -9.038 -9.372 778 HB2 ALA 101 2HB ALA 101 -6.322 -10.224 -9.767 779 HB3 ALA 101 3HB ALA 101 -5.896 -8.759 -8.883 780 H ASN 102 H ASN 102 -5.167 -9.271 -6.101 781 HA ASN 102 HA ASN 102 -3.343 -11.535 -6.552 782 HB2 ASN 102 1HB ASN 102 -2.838 -8.930 -5.114 783 HB3 ASN 102 2HB ASN 102 -1.637 -10.186 -5.406 784 HD21 ASN 102 1HD2 ASN 102 -3.440 -7.612 -6.726 785 HD22 ASN 102 2HD2 ASN 102 -2.674 -7.562 -8.281 786 H ALA 103 H ALA 103 -4.283 -9.651 -3.664 787 HA ALA 103 HA ALA 103 -3.890 -11.757 -1.835 788 HB1 ALA 103 1HB ALA 103 -4.259 -9.275 -1.317 789 HB2 ALA 103 2HB ALA 103 -5.010 -10.448 -0.237 790 HB3 ALA 103 3HB ALA 103 -5.980 -9.625 -1.457 Start of MODEL 9 1 H1 MET 1 1H MET 1 -8.760 -1.620 8.389 2 H2 MET 1 2H MET 1 -9.939 -1.135 9.502 3 H3 MET 1 3H MET 1 -8.892 -2.412 9.877 4 HA MET 1 HA MET 1 -8.175 0.435 9.567 5 HB2 MET 1 1HB MET 1 -9.270 -0.325 11.714 6 HB3 MET 1 2HB MET 1 -7.903 -1.398 11.958 7 HG2 MET 1 1HG MET 1 -7.605 1.574 11.648 8 HG3 MET 1 2HG MET 1 -7.865 0.794 13.204 9 HE1 MET 1 3HE MET 1 -5.610 2.036 14.034 10 HE2 MET 1 1HE MET 1 -5.400 2.718 12.422 11 HE3 MET 1 2HE MET 1 -4.063 1.874 13.203 12 H VAL 2 H VAL 2 -6.193 0.788 8.842 13 HA VAL 2 HA VAL 2 -4.420 -1.537 8.581 14 HB VAL 2 HB VAL 2 -4.544 -1.090 6.403 15 HG11 VAL 2 1HG1 VAL 2 -5.491 1.697 7.011 16 HG12 VAL 2 2HG1 VAL 2 -6.518 0.290 6.741 17 HG13 VAL 2 3HG1 VAL 2 -5.506 0.904 5.434 18 HG21 VAL 2 3HG2 VAL 2 -2.360 0.062 7.277 19 HG22 VAL 2 1HG2 VAL 2 -3.163 1.522 6.714 20 HG23 VAL 2 2HG2 VAL 2 -2.841 0.194 5.588 21 H THR 3 H THR 3 -2.273 -1.393 8.914 22 HA THR 3 HA THR 3 -1.461 0.481 10.951 23 HB THR 3 HB THR 3 -0.653 -2.155 9.995 24 HG1 THR 3 1HG THR 3 -1.496 -1.309 12.140 25 HG21 THR 3 3HG2 THR 3 1.695 -2.039 10.551 26 HG22 THR 3 1HG2 THR 3 1.552 -0.323 10.946 27 HG23 THR 3 2HG2 THR 3 1.342 -0.861 9.273 28 H GLN 4 H GLN 4 0.217 1.912 10.852 29 HA GLN 4 HA GLN 4 1.400 2.415 8.215 30 HB2 GLN 4 1HB GLN 4 2.203 4.566 9.532 31 HB3 GLN 4 2HB GLN 4 0.600 4.477 8.824 32 HG2 GLN 4 1HG GLN 4 0.241 5.360 10.941 33 HG3 GLN 4 2HG GLN 4 -0.182 3.658 11.107 34 HE21 GLN 4 1HE2 GLN 4 3.117 4.910 11.004 35 HE22 GLN 4 2HE2 GLN 4 3.501 4.495 12.639 36 H PHE 5 H PHE 5 3.512 2.048 7.882 37 HA PHE 5 HA PHE 5 5.123 0.970 10.038 38 HB2 PHE 5 1HB PHE 5 5.707 1.403 7.105 39 HB3 PHE 5 2HB PHE 5 6.907 0.815 8.241 40 HD1 PHE 5 2HD PHE 5 5.120 -0.998 9.861 41 HD2 PHE 5 1HD PHE 5 5.531 -0.421 5.666 42 HE1 PHE 5 2HE PHE 5 4.368 -3.304 9.474 43 HE2 PHE 5 1HE PHE 5 4.783 -2.731 5.263 44 HZ PHE 5 HZ PHE 5 4.200 -4.173 7.178 45 H LYS 6 H LYS 6 7.372 1.802 10.307 46 HA LYS 6 HA LYS 6 7.341 4.735 10.219 47 HB2 LYS 6 1HB LYS 6 8.695 4.670 12.299 48 HB3 LYS 6 2HB LYS 6 7.077 4.005 12.487 49 HG2 LYS 6 1HG LYS 6 7.991 1.749 12.312 50 HG3 LYS 6 2HG LYS 6 9.614 2.419 12.146 51 HD2 LYS 6 1HD LYS 6 9.436 3.426 14.360 52 HD3 LYS 6 2HD LYS 6 7.796 2.796 14.525 53 HE2 LYS 6 1HE LYS 6 8.634 0.521 14.415 54 HE3 LYS 6 2HE LYS 6 10.275 1.118 14.170 55 HZ1 LYS 6 3HZ LYS 6 8.619 1.573 16.592 56 HZ2 LYS 6 1HZ LYS 6 10.201 2.128 16.361 57 HZ3 LYS 6 2HZ LYS 6 9.892 0.468 16.463 58 H THR 7 H THR 7 9.047 1.902 9.333 59 HA THR 7 HA THR 7 11.200 3.594 8.320 60 HB THR 7 HB THR 7 12.836 1.768 8.738 61 HG1 THR 7 1HG THR 7 12.170 0.293 10.476 62 HG21 THR 7 3HG2 THR 7 12.760 3.741 10.181 63 HG22 THR 7 1HG2 THR 7 13.185 2.299 11.100 64 HG23 THR 7 2HG2 THR 7 11.553 2.955 11.199 65 H ALA 8 H ALA 8 12.201 2.915 6.415 66 HA ALA 8 HA ALA 8 10.702 1.538 4.507 67 HB1 ALA 8 1HB ALA 8 13.722 1.760 4.600 68 HB2 ALA 8 2HB ALA 8 12.651 3.035 4.029 69 HB3 ALA 8 3HB ALA 8 12.723 1.495 3.171 70 H SER 9 H SER 9 13.040 0.521 6.890 71 HA SER 9 HA SER 9 13.413 -2.143 6.094 72 HB2 SER 9 1HB SER 9 13.542 -0.989 8.886 73 HB3 SER 9 2HB SER 9 14.296 -2.485 8.335 74 HG SER 9 HG SER 9 15.106 -0.638 6.674 75 H GLU 10 H GLU 10 10.876 -0.597 8.037 76 HA GLU 10 HA GLU 10 9.723 -3.045 8.940 77 HB2 GLU 10 1HB GLU 10 8.597 -0.272 8.599 78 HB3 GLU 10 2HB GLU 10 7.618 -1.612 9.181 79 HG2 GLU 10 1HG GLU 10 10.112 -0.529 10.471 80 HG3 GLU 10 2HG GLU 10 8.455 -0.294 11.026 81 H PHE 11 H PHE 11 9.104 -0.964 6.170 82 HA PHE 11 HA PHE 11 7.065 -2.501 4.988 83 HB2 PHE 11 1HB PHE 11 7.141 -0.437 4.052 84 HB3 PHE 11 2HB PHE 11 8.887 -0.309 4.181 85 HD1 PHE 11 1HD PHE 11 6.091 -1.371 2.085 86 HD2 PHE 11 2HD PHE 11 10.325 -1.111 2.401 87 HE1 PHE 11 1HE PHE 11 6.288 -1.764 -0.335 88 HE2 PHE 11 2HE PHE 11 10.532 -1.509 -0.020 89 HZ PHE 11 HZ PHE 11 8.511 -1.834 -1.390 90 H ASP 12 H ASP 12 10.565 -2.498 4.567 91 HA ASP 12 HA ASP 12 10.781 -4.399 2.543 92 HB2 ASP 12 1HB ASP 12 12.685 -3.077 3.189 93 HB3 ASP 12 2HB ASP 12 12.653 -3.741 4.819 94 H SER 13 H SER 13 10.682 -4.849 6.054 95 HA SER 13 HA SER 13 11.116 -7.657 5.948 96 HB2 SER 13 1HB SER 13 11.572 -6.133 7.925 97 HB3 SER 13 2HB SER 13 9.834 -6.102 8.205 98 HG SER 13 HG SER 13 11.633 -8.267 8.402 99 H ALA 14 H ALA 14 8.312 -5.635 5.691 100 HA ALA 14 HA ALA 14 6.422 -7.732 6.184 101 HB1 ALA 14 1HB ALA 14 6.018 -5.065 4.842 102 HB2 ALA 14 2HB ALA 14 5.842 -5.388 6.568 103 HB3 ALA 14 3HB ALA 14 4.747 -6.148 5.411 104 H ILE 15 H ILE 15 7.598 -6.058 3.278 105 HA ILE 15 HA ILE 15 6.053 -7.589 1.478 106 HB ILE 15 HB ILE 15 7.495 -6.695 -0.281 107 HG12 ILE 15 1HG1 ILE 15 9.088 -5.328 1.879 108 HG13 ILE 15 2HG1 ILE 15 9.588 -6.867 1.195 109 HG21 ILE 15 1HG2 ILE 15 5.682 -5.321 0.642 110 HG22 ILE 15 2HG2 ILE 15 7.034 -4.333 0.093 111 HG23 ILE 15 3HG2 ILE 15 6.806 -4.636 1.816 112 HD11 ILE 15 3HD1 ILE 15 10.755 -5.033 0.140 113 HD12 ILE 15 1HD1 ILE 15 9.218 -4.289 -0.308 114 HD13 ILE 15 2HD1 ILE 15 9.691 -5.833 -1.019 115 H ALA 16 H ALA 16 8.917 -8.307 3.220 116 HA ALA 16 HA ALA 16 9.911 -10.280 1.358 117 HB1 ALA 16 1HB ALA 16 10.665 -9.871 4.244 118 HB2 ALA 16 2HB ALA 16 11.392 -9.006 2.886 119 HB3 ALA 16 3HB ALA 16 11.578 -10.757 3.022 120 H GLN 17 H GLN 17 7.365 -10.219 3.468 121 HA GLN 17 HA GLN 17 7.569 -12.823 4.602 122 HB2 GLN 17 1HB GLN 17 5.208 -10.969 4.239 123 HB3 GLN 17 2HB GLN 17 5.133 -12.489 5.121 124 HG2 GLN 17 1HG GLN 17 6.685 -11.694 6.752 125 HG3 GLN 17 2HG GLN 17 6.990 -10.231 5.819 126 HE21 GLN 17 1HE2 GLN 17 6.395 -8.908 7.529 127 HE22 GLN 17 2HE2 GLN 17 4.747 -8.704 8.009 128 H ASP 18 H ASP 18 6.347 -14.682 4.047 129 HA ASP 18 HA ASP 18 6.142 -15.090 1.201 130 HB2 ASP 18 1HB ASP 18 5.653 -16.906 3.560 131 HB3 ASP 18 2HB ASP 18 5.470 -17.427 1.889 132 H LYS 19 H LYS 19 4.311 -13.250 2.438 133 HA LYS 19 HA LYS 19 1.755 -14.372 1.544 134 HB2 LYS 19 1HB LYS 19 0.604 -13.624 3.398 135 HB3 LYS 19 2HB LYS 19 2.027 -14.383 4.074 136 HG2 LYS 19 1HG LYS 19 3.021 -12.323 4.599 137 HG3 LYS 19 2HG LYS 19 1.884 -11.428 3.584 138 HD2 LYS 19 1HD LYS 19 1.163 -12.959 6.079 139 HD3 LYS 19 2HD LYS 19 1.364 -11.207 5.977 140 HE2 LYS 19 1HE LYS 19 -0.482 -10.998 4.497 141 HE3 LYS 19 2HE LYS 19 -0.584 -12.745 4.267 142 HZ1 LYS 19 3HZ LYS 19 -1.152 -11.249 6.776 143 HZ2 LYS 19 1HZ LYS 19 -1.185 -12.939 6.627 144 HZ3 LYS 19 2HZ LYS 19 -2.295 -11.998 5.770 145 H LEU 20 H LEU 20 0.162 -12.416 1.388 146 HA LEU 20 HA LEU 20 1.574 -10.493 -0.244 147 HB2 LEU 20 1HB LEU 20 -0.535 -11.506 -1.052 148 HB3 LEU 20 2HB LEU 20 -1.399 -10.683 0.232 149 HG LEU 20 HG LEU 20 0.263 -8.984 -1.492 150 HD11 LEU 20 1HD1 LEU 20 -1.492 -8.881 -3.210 151 HD12 LEU 20 2HD1 LEU 20 -2.255 -10.284 -2.460 152 HD13 LEU 20 3HD1 LEU 20 -0.643 -10.425 -3.156 153 HD21 LEU 20 3HD2 LEU 20 -1.715 -7.514 -1.299 154 HD22 LEU 20 1HD2 LEU 20 -1.021 -7.972 0.256 155 HD23 LEU 20 2HD2 LEU 20 -2.493 -8.756 -0.319 156 H VAL 21 H VAL 21 1.884 -8.450 0.122 157 HA VAL 21 HA VAL 21 0.772 -7.202 2.540 158 HB VAL 21 HB VAL 21 3.711 -7.271 1.802 159 HG11 VAL 21 1HG1 VAL 21 4.116 -5.637 3.548 160 HG12 VAL 21 2HG1 VAL 21 2.391 -5.567 3.918 161 HG13 VAL 21 3HG1 VAL 21 2.983 -4.964 2.369 162 HG21 VAL 21 3HG2 VAL 21 2.889 -9.150 3.150 163 HG22 VAL 21 1HG2 VAL 21 2.254 -8.015 4.341 164 HG23 VAL 21 2HG2 VAL 21 3.994 -8.127 4.070 165 H VAL 22 H VAL 22 -0.399 -5.593 1.707 166 HA VAL 22 HA VAL 22 0.766 -4.052 -0.479 167 HB VAL 22 HB VAL 22 -1.252 -4.455 -1.343 168 HG11 VAL 22 1HG1 VAL 22 -1.966 -5.997 0.301 169 HG12 VAL 22 2HG1 VAL 22 -3.297 -4.884 -0.014 170 HG13 VAL 22 3HG1 VAL 22 -2.317 -4.702 1.444 171 HG21 VAL 22 3HG2 VAL 22 -1.294 -2.048 -1.065 172 HG22 VAL 22 1HG2 VAL 22 -2.017 -2.225 0.535 173 HG23 VAL 22 2HG2 VAL 22 -2.921 -2.706 -0.900 174 H VAL 23 H VAL 23 1.965 -2.543 0.187 175 HA VAL 23 HA VAL 23 1.181 -0.846 2.444 176 HB VAL 23 HB VAL 23 3.776 -1.038 0.891 177 HG11 VAL 23 1HG1 VAL 23 3.125 0.587 3.340 178 HG12 VAL 23 2HG1 VAL 23 3.398 1.224 1.717 179 HG13 VAL 23 3HG1 VAL 23 4.713 0.434 2.588 180 HG21 VAL 23 3HG2 VAL 23 2.935 -2.045 3.597 181 HG22 VAL 23 1HG2 VAL 23 4.622 -1.896 3.111 182 HG23 VAL 23 2HG2 VAL 23 3.544 -2.975 2.229 183 H ALA 24 H ALA 24 0.695 1.341 2.133 184 HA ALA 24 HA ALA 24 0.928 2.362 -0.614 185 HB1 ALA 24 1HB ALA 24 -1.186 3.189 -0.694 186 HB2 ALA 24 2HB ALA 24 -1.315 3.306 1.054 187 HB3 ALA 24 3HB ALA 24 -1.456 1.734 0.266 188 H PHE 25 H PHE 25 2.055 4.016 -0.836 189 HA PHE 25 HA PHE 25 2.987 5.527 1.391 190 HB2 PHE 25 1HB PHE 25 3.257 5.942 -1.587 191 HB3 PHE 25 2HB PHE 25 4.135 6.866 -0.366 192 HD1 PHE 25 1HD PHE 25 5.700 5.609 1.181 193 HD2 PHE 25 2HD PHE 25 4.047 3.877 -2.338 194 HE1 PHE 25 1HE PHE 25 7.461 3.890 1.193 195 HE2 PHE 25 2HE PHE 25 5.809 2.161 -2.327 196 HZ PHE 25 HZ PHE 25 7.513 2.163 -0.558 197 H TYR 26 H TYR 26 2.067 7.198 2.292 198 HA TYR 26 HA TYR 26 -0.028 8.709 0.859 199 HB2 TYR 26 1HB TYR 26 0.288 8.005 3.784 200 HB3 TYR 26 2HB TYR 26 -0.750 9.317 3.255 201 HD1 TYR 26 2HD TYR 26 -0.738 6.460 1.045 202 HD2 TYR 26 1HD TYR 26 -2.437 8.082 4.586 203 HE1 TYR 26 2HE TYR 26 -2.606 4.867 0.881 204 HE2 TYR 26 1HE TYR 26 -4.298 6.494 4.439 205 HH TYR 26 HH TYR 26 -5.424 5.146 2.747 206 H ALA 27 H ALA 27 -0.278 10.916 2.072 207 HA ALA 27 HA ALA 27 2.207 11.919 3.172 208 HB1 ALA 27 1HB ALA 27 2.269 13.863 1.688 209 HB2 ALA 27 2HB ALA 27 0.895 13.226 0.782 210 HB3 ALA 27 3HB ALA 27 2.435 12.367 0.768 211 H THR 28 H THR 28 1.882 13.657 4.532 212 HA THR 28 HA THR 28 -0.716 13.815 5.666 213 HB THR 28 HB THR 28 0.659 15.792 6.910 214 HG1 THR 28 1HG THR 28 2.728 13.951 6.591 215 HG21 THR 28 3HG2 THR 28 -0.388 13.869 7.987 216 HG22 THR 28 1HG2 THR 28 1.259 14.087 8.577 217 HG23 THR 28 2HG2 THR 28 0.905 12.822 7.400 218 H TRP 29 H TRP 29 0.465 15.286 2.977 219 HA TRP 29 HA TRP 29 -1.115 17.722 3.414 220 HB2 TRP 29 1HB TRP 29 0.474 18.889 1.923 221 HB3 TRP 29 2HB TRP 29 1.233 18.275 3.388 222 HD1 TRP 29 HD TRP 29 0.875 17.347 -0.327 223 HE1 TRP 29 1HE TRP 29 2.984 16.047 -1.053 224 HE3 TRP 29 3HE TRP 29 3.206 17.023 4.200 225 HZ2 TRP 29 2HZ TRP 29 5.322 15.021 0.155 226 HZ3 TRP 29 3HZ TRP 29 5.372 15.867 4.335 227 HH2 TRP 29 HH TRP 29 6.406 14.886 2.355 228 H CYS 30 H CYS 30 -1.597 14.966 1.920 229 HA CYS 30 HA CYS 30 -2.337 16.227 -0.632 230 HB2 CYS 30 1HB CYS 30 -2.507 13.824 -1.491 231 HB3 CYS 30 2HB CYS 30 -0.904 14.494 -1.223 232 H GLY 31 H GLY 31 -4.275 15.661 -1.666 233 HA2 GLY 31 1HA GLY 31 -6.499 15.397 0.156 234 HA3 GLY 31 2HA GLY 31 -6.584 15.735 -1.562 235 HA PRO 32 HA PRO 32 -7.449 11.589 -2.818 236 HB2 PRO 32 1HB PRO 32 -4.619 10.837 -3.367 237 HB3 PRO 32 2HB PRO 32 -6.050 10.672 -4.391 238 HG2 PRO 32 1HG PRO 32 -4.294 12.583 -4.875 239 HG3 PRO 32 2HG PRO 32 -6.034 12.908 -5.001 240 HD2 PRO 32 1HD PRO 32 -4.122 13.653 -2.819 241 HD3 PRO 32 2HD PRO 32 -5.465 14.588 -3.498 242 H CYS 33 H CYS 33 -4.322 11.419 -1.144 243 HA CYS 33 HA CYS 33 -4.502 8.884 -0.043 244 HB2 CYS 33 1HB CYS 33 -3.009 9.829 1.767 245 HB3 CYS 33 2HB CYS 33 -2.453 10.100 0.116 246 H LYS 34 H LYS 34 -5.970 11.876 1.074 247 HA LYS 34 HA LYS 34 -6.848 10.894 3.565 248 HB2 LYS 34 1HB LYS 34 -6.742 13.301 2.934 249 HB3 LYS 34 2HB LYS 34 -8.111 13.049 1.864 250 HG2 LYS 34 1HG LYS 34 -8.841 14.052 3.931 251 HG3 LYS 34 2HG LYS 34 -9.489 12.418 3.793 252 HD2 LYS 34 1HD LYS 34 -7.806 11.578 5.305 253 HD3 LYS 34 2HD LYS 34 -7.026 13.158 5.369 254 HE2 LYS 34 1HE LYS 34 -9.838 12.583 6.290 255 HE3 LYS 34 2HE LYS 34 -8.433 12.668 7.350 256 HZ1 LYS 34 3HZ LYS 34 -8.117 14.972 6.651 257 HZ2 LYS 34 1HZ LYS 34 -9.632 14.744 7.360 258 HZ3 LYS 34 2HZ LYS 34 -9.498 14.881 5.682 259 H MET 35 H MET 35 -8.540 11.167 0.415 260 HA MET 35 HA MET 35 -10.971 10.134 1.437 261 HB2 MET 35 1HB MET 35 -11.720 9.977 -0.878 262 HB3 MET 35 2HB MET 35 -10.999 11.536 -0.523 263 HG2 MET 35 1HG MET 35 -8.943 10.809 -1.644 264 HG3 MET 35 2HG MET 35 -9.710 9.263 -2.004 265 HE1 MET 35 3HE MET 35 -8.431 10.935 -4.355 266 HE2 MET 35 1HE MET 35 -9.712 10.828 -5.561 267 HE3 MET 35 2HE MET 35 -9.309 9.422 -4.574 268 H ILE 36 H ILE 36 -8.375 8.511 -0.398 269 HA ILE 36 HA ILE 36 -9.830 6.047 -0.348 270 HB ILE 36 HB ILE 36 -8.440 5.583 -2.008 271 HG12 ILE 36 1HG1 ILE 36 -7.470 4.287 0.061 272 HG13 ILE 36 2HG1 ILE 36 -6.678 4.199 -1.496 273 HG21 ILE 36 1HG2 ILE 36 -6.351 6.752 -2.502 274 HG22 ILE 36 2HG2 ILE 36 -6.495 7.613 -0.968 275 HG23 ILE 36 3HG2 ILE 36 -7.710 7.842 -2.228 276 HD11 ILE 36 3HD1 ILE 36 -5.019 5.804 -0.774 277 HD12 ILE 36 1HD1 ILE 36 -5.111 4.474 0.389 278 HD13 ILE 36 2HD1 ILE 36 -5.871 6.034 0.757 279 H ALA 37 H ALA 37 -7.897 7.705 1.925 280 HA ALA 37 HA ALA 37 -6.832 5.576 3.349 281 HB1 ALA 37 1HB ALA 37 -6.582 7.075 5.191 282 HB2 ALA 37 2HB ALA 37 -7.799 8.165 4.521 283 HB3 ALA 37 3HB ALA 37 -6.257 7.934 3.676 284 HA PRO 38 HA PRO 38 -10.946 5.034 5.801 285 HB2 PRO 38 1HB PRO 38 -13.192 6.123 4.688 286 HB3 PRO 38 2HB PRO 38 -12.283 6.875 6.004 287 HG2 PRO 38 1HG PRO 38 -12.182 7.435 3.070 288 HG3 PRO 38 2HG PRO 38 -12.187 8.575 4.429 289 HD2 PRO 38 1HD PRO 38 -9.923 7.939 3.136 290 HD3 PRO 38 2HD PRO 38 -9.945 8.239 4.884 291 H MET 39 H MET 39 -10.969 5.410 2.258 292 HA MET 39 HA MET 39 -12.743 3.244 1.776 293 HB2 MET 39 1HB MET 39 -10.541 4.307 0.004 294 HB3 MET 39 2HB MET 39 -11.796 3.191 -0.508 295 HG2 MET 39 1HG MET 39 -12.157 6.034 0.399 296 HG3 MET 39 2HG MET 39 -12.370 5.397 -1.230 297 HE1 MET 39 3HE MET 39 -15.559 3.157 -0.803 298 HE2 MET 39 1HE MET 39 -13.915 2.594 -0.509 299 HE3 MET 39 2HE MET 39 -14.252 3.654 -1.876 300 H ILE 40 H ILE 40 -9.166 3.295 1.550 301 HA ILE 40 HA ILE 40 -8.728 0.584 1.264 302 HB ILE 40 HB ILE 40 -7.112 2.836 1.799 303 HG12 ILE 40 1HG1 ILE 40 -5.275 1.092 1.246 304 HG13 ILE 40 2HG1 ILE 40 -6.619 -0.026 1.037 305 HG21 ILE 40 1HG2 ILE 40 -6.492 0.604 3.695 306 HG22 ILE 40 2HG2 ILE 40 -7.067 2.212 4.137 307 HG23 ILE 40 3HG2 ILE 40 -5.483 2.017 3.384 308 HD11 ILE 40 3HD1 ILE 40 -6.035 0.828 -1.096 309 HD12 ILE 40 1HD1 ILE 40 -6.062 2.488 -0.499 310 HD13 ILE 40 2HD1 ILE 40 -7.568 1.575 -0.637 311 H GLU 41 H GLU 41 -9.519 2.401 4.134 312 HA GLU 41 HA GLU 41 -9.065 0.429 6.074 313 HB2 GLU 41 1HB GLU 41 -9.664 2.919 6.327 314 HB3 GLU 41 2HB GLU 41 -11.330 2.415 6.136 315 HG2 GLU 41 1HG GLU 41 -9.480 1.429 8.294 316 HG3 GLU 41 2HG GLU 41 -10.629 2.748 8.485 317 H LYS 42 H LYS 42 -12.050 1.203 4.249 318 HA LYS 42 HA LYS 42 -13.528 -0.976 5.239 319 HB2 LYS 42 1HB LYS 42 -14.751 0.767 4.173 320 HB3 LYS 42 2HB LYS 42 -13.758 0.682 2.728 321 HG2 LYS 42 1HG LYS 42 -15.329 -1.731 3.432 322 HG3 LYS 42 2HG LYS 42 -16.216 -0.322 2.849 323 HD2 LYS 42 1HD LYS 42 -14.883 -0.272 0.835 324 HD3 LYS 42 2HD LYS 42 -13.880 -1.597 1.425 325 HE2 LYS 42 1HE LYS 42 -15.487 -2.424 -0.187 326 HE3 LYS 42 2HE LYS 42 -15.855 -3.066 1.412 327 HZ1 LYS 42 3HZ LYS 42 -17.836 -2.322 0.215 328 HZ2 LYS 42 1HZ LYS 42 -17.221 -0.749 0.154 329 HZ3 LYS 42 2HZ LYS 42 -17.607 -1.450 1.644 330 H PHE 43 H PHE 43 -11.507 -0.631 2.379 331 HA PHE 43 HA PHE 43 -11.923 -3.254 1.497 332 HB2 PHE 43 1HB PHE 43 -9.725 -1.311 0.894 333 HB3 PHE 43 2HB PHE 43 -9.814 -2.932 0.211 334 HD1 PHE 43 1HD PHE 43 -11.532 0.320 0.375 335 HD2 PHE 43 2HD PHE 43 -11.285 -3.463 -1.552 336 HE1 PHE 43 1HE PHE 43 -13.050 1.121 -1.386 337 HE2 PHE 43 2HE PHE 43 -12.806 -2.663 -3.315 338 HZ PHE 43 HZ PHE 43 -13.692 -0.372 -3.232 339 H SER 44 H SER 44 -9.954 -2.038 4.090 340 HA SER 44 HA SER 44 -8.094 -4.210 4.010 341 HB2 SER 44 1HB SER 44 -7.255 -3.371 6.101 342 HB3 SER 44 2HB SER 44 -7.531 -1.991 5.060 343 HG SER 44 HG SER 44 -9.722 -2.085 6.283 344 H GLU 45 H GLU 45 -11.229 -3.626 5.135 345 HA GLU 45 HA GLU 45 -11.368 -5.925 6.879 346 HB2 GLU 45 1HB GLU 45 -12.907 -3.894 6.969 347 HB3 GLU 45 2HB GLU 45 -13.659 -4.510 5.506 348 HG2 GLU 45 1HG GLU 45 -14.963 -5.125 7.431 349 HG3 GLU 45 2HG GLU 45 -14.260 -6.565 6.695 350 H GLN 46 H GLN 46 -11.582 -5.149 3.554 351 HA GLN 46 HA GLN 46 -12.746 -7.668 2.778 352 HB2 GLN 46 1HB GLN 46 -11.516 -5.687 0.901 353 HB3 GLN 46 2HB GLN 46 -12.783 -6.857 0.571 354 HG2 GLN 46 1HG GLN 46 -13.003 -4.341 2.206 355 HG3 GLN 46 2HG GLN 46 -13.725 -4.673 0.634 356 HE21 GLN 46 1HE2 GLN 46 -15.495 -6.075 0.492 357 HE22 GLN 46 2HE2 GLN 46 -16.461 -6.459 1.875 358 H TYR 47 H TYR 47 -9.776 -6.952 3.803 359 HA TYR 47 HA TYR 47 -8.456 -8.875 1.986 360 HB2 TYR 47 1HB TYR 47 -7.145 -7.489 4.334 361 HB3 TYR 47 2HB TYR 47 -6.359 -8.476 3.113 362 HD1 TYR 47 1HD TYR 47 -8.775 -6.154 1.792 363 HD2 TYR 47 2HD TYR 47 -4.755 -6.601 3.065 364 HE1 TYR 47 1HE TYR 47 -8.164 -4.113 0.561 365 HE2 TYR 47 2HE TYR 47 -4.137 -4.556 1.852 366 HH TYR 47 HH TYR 47 -6.502 -2.437 0.492 367 HA PRO 48 HA PRO 48 -9.497 -11.775 5.318 368 HB2 PRO 48 1HB PRO 48 -9.111 -13.849 3.321 369 HB3 PRO 48 2HB PRO 48 -10.584 -13.403 4.180 370 HG2 PRO 48 1HG PRO 48 -10.231 -12.978 1.519 371 HG3 PRO 48 2HG PRO 48 -11.258 -11.953 2.536 372 HD2 PRO 48 1HD PRO 48 -8.466 -11.475 1.569 373 HD3 PRO 48 2HD PRO 48 -9.828 -10.338 1.686 374 H GLN 49 H GLN 49 -6.965 -12.299 2.840 375 HA GLN 49 HA GLN 49 -5.432 -13.702 4.916 376 HB2 GLN 49 1HB GLN 49 -4.544 -15.199 3.360 377 HB3 GLN 49 2HB GLN 49 -6.251 -15.088 2.980 378 HG2 GLN 49 1HG GLN 49 -3.981 -13.805 1.502 379 HG3 GLN 49 2HG GLN 49 -4.972 -15.156 0.964 380 HE21 GLN 49 1HE2 GLN 49 -4.683 -11.774 1.261 381 HE22 GLN 49 2HE2 GLN 49 -6.123 -11.341 0.411 382 H ALA 50 H ALA 50 -5.462 -10.797 3.561 383 HA ALA 50 HA ALA 50 -2.567 -10.695 3.084 384 HB1 ALA 50 1HB ALA 50 -3.789 -10.224 1.060 385 HB2 ALA 50 2HB ALA 50 -3.022 -8.747 1.640 386 HB3 ALA 50 3HB ALA 50 -4.750 -9.000 1.885 387 H ASP 51 H ASP 51 -1.453 -8.868 3.767 388 HA ASP 51 HA ASP 51 -2.686 -7.555 6.068 389 HB2 ASP 51 1HB ASP 51 0.114 -8.287 5.390 390 HB3 ASP 51 2HB ASP 51 -0.138 -6.852 6.380 391 H PHE 52 H PHE 52 -3.086 -5.503 6.134 392 HA PHE 52 HA PHE 52 -2.507 -3.883 3.759 393 HB2 PHE 52 1HB PHE 52 -4.443 -2.488 5.017 394 HB3 PHE 52 2HB PHE 52 -4.786 -3.809 3.894 395 HD1 PHE 52 1HD PHE 52 -5.460 -6.016 4.758 396 HD2 PHE 52 2HD PHE 52 -4.868 -2.711 7.342 397 HE1 PHE 52 1HE PHE 52 -6.688 -7.190 6.529 398 HE2 PHE 52 2HE PHE 52 -6.098 -3.867 9.120 399 HZ PHE 52 HZ PHE 52 -7.009 -6.114 8.719 400 H TYR 53 H TYR 53 -1.010 -2.329 3.949 401 HA TYR 53 HA TYR 53 -0.905 -0.846 6.489 402 HB2 TYR 53 1HB TYR 53 1.577 -1.523 4.900 403 HB3 TYR 53 2HB TYR 53 1.484 -0.789 6.505 404 HD1 TYR 53 2HD TYR 53 0.335 -2.256 8.332 405 HD2 TYR 53 1HD TYR 53 2.018 -3.800 4.757 406 HE1 TYR 53 2HE TYR 53 0.575 -4.448 9.408 407 HE2 TYR 53 1HE TYR 53 2.264 -6.008 5.823 408 HH TYR 53 HH TYR 53 2.486 -6.895 8.167 409 H LYS 54 H LYS 54 -0.489 1.365 6.285 410 HA LYS 54 HA LYS 54 -0.067 2.401 3.541 411 HB2 LYS 54 1HB LYS 54 -1.813 3.797 5.579 412 HB3 LYS 54 2HB LYS 54 -1.575 4.254 3.904 413 HG2 LYS 54 1HG LYS 54 -3.053 1.813 4.878 414 HG3 LYS 54 2HG LYS 54 -3.789 3.296 4.308 415 HD2 LYS 54 1HD LYS 54 -3.692 2.607 2.179 416 HD3 LYS 54 2HD LYS 54 -1.953 2.238 2.354 417 HE2 LYS 54 1HE LYS 54 -2.612 0.106 3.507 418 HE3 LYS 54 2HE LYS 54 -4.278 0.454 3.050 419 HZ1 LYS 54 3HZ LYS 54 -1.996 0.039 1.199 420 HZ2 LYS 54 1HZ LYS 54 -3.566 0.455 0.721 421 HZ3 LYS 54 2HZ LYS 54 -3.276 -1.033 1.471 422 H LEU 55 H LEU 55 1.758 3.688 3.460 423 HA LEU 55 HA LEU 55 2.857 4.513 6.073 424 HB2 LEU 55 1HB LEU 55 4.317 4.667 3.467 425 HB3 LEU 55 2HB LEU 55 4.967 4.717 5.088 426 HG LEU 55 HG LEU 55 3.950 2.367 3.574 427 HD11 LEU 55 1HD1 LEU 55 6.351 2.698 5.317 428 HD12 LEU 55 2HD1 LEU 55 6.344 3.098 3.599 429 HD13 LEU 55 3HD1 LEU 55 6.046 1.438 4.121 430 HD21 LEU 55 3HD2 LEU 55 2.764 2.243 5.664 431 HD22 LEU 55 1HD2 LEU 55 4.250 2.566 6.555 432 HD23 LEU 55 2HD2 LEU 55 4.069 1.058 5.658 433 H ASP 56 H ASP 56 4.085 6.645 6.054 434 HA ASP 56 HA ASP 56 2.757 8.628 4.337 435 HB2 ASP 56 1HB ASP 56 3.340 10.222 6.285 436 HB3 ASP 56 2HB ASP 56 1.942 9.174 6.457 437 H VAL 57 H VAL 57 4.090 9.632 2.995 438 HA VAL 57 HA VAL 57 6.828 8.907 2.896 439 HB VAL 57 HB VAL 57 7.019 10.452 1.009 440 HG11 VAL 57 1HG1 VAL 57 4.480 8.827 0.970 441 HG12 VAL 57 2HG1 VAL 57 6.105 8.238 0.621 442 HG13 VAL 57 3HG1 VAL 57 5.345 9.417 -0.449 443 HG21 VAL 57 3HG2 VAL 57 4.183 11.260 1.648 444 HG22 VAL 57 1HG2 VAL 57 5.147 11.813 0.279 445 HG23 VAL 57 2HG2 VAL 57 5.610 12.257 1.924 446 H ASP 58 H ASP 58 5.369 11.227 4.828 447 HA ASP 58 HA ASP 58 7.364 13.261 4.541 448 HB2 ASP 58 1HB ASP 58 6.292 14.385 6.400 449 HB3 ASP 58 2HB ASP 58 5.087 13.810 5.259 450 H GLU 59 H GLU 59 6.872 10.475 6.575 451 HA GLU 59 HA GLU 59 9.588 10.947 7.596 452 HB2 GLU 59 1HB GLU 59 8.978 10.151 9.587 453 HB3 GLU 59 2HB GLU 59 7.327 10.257 9.006 454 HG2 GLU 59 1HG GLU 59 7.197 8.004 8.555 455 HG3 GLU 59 2HG GLU 59 8.952 7.803 8.541 456 H LEU 60 H LEU 60 7.520 8.607 5.945 457 HA LEU 60 HA LEU 60 9.778 6.857 5.401 458 HB2 LEU 60 1HB LEU 60 6.861 6.733 4.618 459 HB3 LEU 60 2HB LEU 60 8.059 5.709 3.848 460 HG LEU 60 HG LEU 60 6.999 4.427 5.527 461 HD11 LEU 60 1HD1 LEU 60 9.674 5.311 6.584 462 HD12 LEU 60 2HD1 LEU 60 9.411 4.098 5.329 463 HD13 LEU 60 3HD1 LEU 60 8.843 3.807 6.975 464 HD21 LEU 60 3HD2 LEU 60 6.085 6.280 6.841 465 HD22 LEU 60 1HD2 LEU 60 7.688 6.575 7.507 466 HD23 LEU 60 2HD2 LEU 60 6.860 5.058 7.851 467 H GLY 61 H GLY 61 10.561 9.188 4.460 468 HA2 GLY 61 1HA GLY 61 9.725 9.648 1.739 469 HA3 GLY 61 2HA GLY 61 11.041 10.458 2.580 470 H ASP 62 H ASP 62 12.439 8.067 3.325 471 HA ASP 62 HA ASP 62 14.019 7.801 0.987 472 HB2 ASP 62 1HB ASP 62 15.393 6.270 2.277 473 HB3 ASP 62 2HB ASP 62 14.965 7.657 3.268 474 H VAL 63 H VAL 63 11.740 5.595 2.604 475 HA VAL 63 HA VAL 63 12.088 3.469 0.761 476 HB VAL 63 HB VAL 63 11.077 2.964 2.880 477 HG11 VAL 63 1HG1 VAL 63 8.884 4.840 2.092 478 HG12 VAL 63 2HG1 VAL 63 10.050 5.048 3.400 479 HG13 VAL 63 3HG1 VAL 63 8.854 3.753 3.482 480 HG21 VAL 63 3HG2 VAL 63 9.083 2.697 0.655 481 HG22 VAL 63 1HG2 VAL 63 9.024 1.806 2.176 482 HG23 VAL 63 2HG2 VAL 63 10.367 1.553 1.058 483 H ALA 64 H ALA 64 9.925 6.245 0.835 484 HA ALA 64 HA ALA 64 8.409 5.660 -1.432 485 HB1 ALA 64 1HB ALA 64 9.349 8.375 -0.519 486 HB2 ALA 64 2HB ALA 64 7.934 7.521 0.097 487 HB3 ALA 64 3HB ALA 64 7.984 8.042 -1.586 488 H GLN 65 H GLN 65 11.660 6.981 -1.114 489 HA GLN 65 HA GLN 65 11.915 7.571 -3.914 490 HB2 GLN 65 1HB GLN 65 14.016 7.343 -1.746 491 HB3 GLN 65 2HB GLN 65 14.290 7.979 -3.364 492 HG2 GLN 65 1HG GLN 65 12.448 9.153 -1.292 493 HG3 GLN 65 2HG GLN 65 14.046 9.753 -1.720 494 HE21 GLN 65 1HE2 GLN 65 10.730 9.532 -2.647 495 HE22 GLN 65 2HE2 GLN 65 10.806 10.638 -3.971 496 H LYS 66 H LYS 66 12.602 4.883 -1.813 497 HA LYS 66 HA LYS 66 14.299 3.353 -3.366 498 HB2 LYS 66 1HB LYS 66 12.044 2.492 -1.560 499 HB3 LYS 66 2HB LYS 66 13.300 1.431 -2.158 500 HG2 LYS 66 1HG LYS 66 13.754 3.813 -0.393 501 HG3 LYS 66 2HG LYS 66 13.644 2.145 0.164 502 HD2 LYS 66 1HD LYS 66 15.586 1.585 -1.258 503 HD3 LYS 66 2HD LYS 66 15.719 3.290 -1.697 504 HE2 LYS 66 1HE LYS 66 16.152 3.909 0.576 505 HE3 LYS 66 2HE LYS 66 15.811 2.273 1.141 506 HZ1 LYS 66 3HZ LYS 66 18.189 2.725 1.018 507 HZ2 LYS 66 1HZ LYS 66 18.062 3.046 -0.639 508 HZ3 LYS 66 2HZ LYS 66 17.750 1.490 -0.052 509 H ASN 67 H ASN 67 10.793 3.528 -3.290 510 HA ASN 67 HA ASN 67 10.600 1.624 -5.483 511 HB2 ASN 67 1HB ASN 67 8.486 2.853 -3.704 512 HB3 ASN 67 2HB ASN 67 8.171 1.660 -4.959 513 HD21 ASN 67 1HD2 ASN 67 9.625 2.223 -1.830 514 HD22 ASN 67 2HD2 ASN 67 9.773 0.557 -1.390 515 H GLU 68 H GLU 68 11.405 4.578 -5.586 516 HA GLU 68 HA GLU 68 11.093 6.430 -6.860 517 HB2 GLU 68 1HB GLU 68 10.299 4.217 -8.736 518 HB3 GLU 68 2HB GLU 68 10.494 5.888 -9.253 519 HG2 GLU 68 1HG GLU 68 12.685 4.490 -7.785 520 HG3 GLU 68 2HG GLU 68 12.468 4.255 -9.513 521 H VAL 69 H VAL 69 9.140 6.461 -5.143 522 HA VAL 69 HA VAL 69 6.538 6.479 -6.392 523 HB VAL 69 HB VAL 69 7.419 7.328 -3.629 524 HG11 VAL 69 1HG1 VAL 69 5.043 7.286 -3.039 525 HG12 VAL 69 2HG1 VAL 69 4.632 6.970 -4.725 526 HG13 VAL 69 3HG1 VAL 69 5.382 8.501 -4.274 527 HG21 VAL 69 3HG2 VAL 69 7.708 4.953 -4.057 528 HG22 VAL 69 1HG2 VAL 69 6.037 4.833 -4.606 529 HG23 VAL 69 2HG2 VAL 69 6.386 5.223 -2.921 530 H SER 70 H SER 70 5.971 8.082 -7.680 531 HA SER 70 HA SER 70 6.725 10.823 -6.921 532 HB2 SER 70 1HB SER 70 6.444 11.335 -9.379 533 HB3 SER 70 2HB SER 70 7.795 10.269 -8.995 534 HG SER 70 HG SER 70 6.671 9.411 -10.728 535 H ALA 71 H ALA 71 4.247 8.755 -6.787 536 HA ALA 71 HA ALA 71 2.245 10.851 -7.264 537 HB1 ALA 71 1HB ALA 71 1.899 7.923 -7.887 538 HB2 ALA 71 2HB ALA 71 2.157 9.198 -9.077 539 HB3 ALA 71 3HB ALA 71 0.689 9.186 -8.101 540 H MET 72 H MET 72 0.363 10.727 -5.937 541 HA MET 72 HA MET 72 0.606 8.940 -3.635 542 HB2 MET 72 1HB MET 72 -0.260 10.931 -2.236 543 HB3 MET 72 2HB MET 72 1.441 10.881 -2.664 544 HG2 MET 72 1HG MET 72 0.862 13.083 -3.041 545 HG3 MET 72 2HG MET 72 0.776 12.370 -4.648 546 HE1 MET 72 3HE MET 72 -0.643 14.266 -5.682 547 HE2 MET 72 1HE MET 72 -0.490 15.151 -4.162 548 HE3 MET 72 2HE MET 72 -2.072 14.964 -4.919 549 HA PRO 73 HA PRO 73 -0.266 7.899 -2.353 550 HB2 PRO 73 1HB PRO 73 -1.781 5.743 -1.912 551 HB3 PRO 73 2HB PRO 73 -2.131 7.282 -1.115 552 HG2 PRO 73 1HG PRO 73 -3.444 6.043 -3.500 553 HG3 PRO 73 2HG PRO 73 -4.181 6.889 -2.130 554 HD2 PRO 73 1HD PRO 73 -3.681 8.040 -4.581 555 HD3 PRO 73 2HD PRO 73 -3.842 8.940 -3.063 556 H THR 74 H THR 74 0.689 5.648 -2.541 557 HA THR 74 HA THR 74 0.490 4.604 -5.274 558 HB THR 74 HB THR 74 3.004 4.868 -3.613 559 HG1 THR 74 1HG THR 74 2.319 6.755 -4.794 560 HG21 THR 74 3HG2 THR 74 3.000 2.731 -4.799 561 HG22 THR 74 1HG2 THR 74 4.169 3.841 -5.515 562 HG23 THR 74 2HG2 THR 74 2.618 3.559 -6.309 563 H LEU 75 H LEU 75 -0.284 2.610 -5.269 564 HA LEU 75 HA LEU 75 -0.255 1.097 -2.757 565 HB2 LEU 75 1HB LEU 75 -2.149 1.344 -5.036 566 HB3 LEU 75 2HB LEU 75 -2.068 -0.183 -4.187 567 HG LEU 75 HG LEU 75 -3.891 1.289 -3.388 568 HD11 LEU 75 1HD1 LEU 75 -3.014 -0.386 -1.905 569 HD12 LEU 75 2HD1 LEU 75 -3.389 1.075 -0.991 570 HD13 LEU 75 3HD1 LEU 75 -1.717 0.693 -1.399 571 HD21 LEU 75 3HD2 LEU 75 -3.249 3.231 -1.952 572 HD22 LEU 75 1HD2 LEU 75 -2.951 3.461 -3.676 573 HD23 LEU 75 2HD2 LEU 75 -1.612 3.088 -2.594 574 H LEU 76 H LEU 76 1.285 -0.407 -2.720 575 HA LEU 76 HA LEU 76 1.592 -2.058 -5.138 576 HB2 LEU 76 1HB LEU 76 3.844 -1.531 -3.202 577 HB3 LEU 76 2HB LEU 76 3.942 -2.196 -4.819 578 HG LEU 76 HG LEU 76 3.251 0.677 -4.199 579 HD11 LEU 76 1HD1 LEU 76 5.511 1.191 -4.957 580 HD12 LEU 76 2HD1 LEU 76 5.852 -0.530 -5.136 581 HD13 LEU 76 3HD1 LEU 76 5.545 0.147 -3.536 582 HD21 LEU 76 3HD2 LEU 76 3.657 1.026 -6.576 583 HD22 LEU 76 1HD2 LEU 76 2.347 -0.126 -6.316 584 HD23 LEU 76 2HD2 LEU 76 3.947 -0.701 -6.785 585 H LEU 77 H LEU 77 0.699 -3.978 -4.645 586 HA LEU 77 HA LEU 77 1.142 -5.011 -1.959 587 HB2 LEU 77 1HB LEU 77 -0.069 -6.963 -3.606 588 HB3 LEU 77 2HB LEU 77 -0.752 -6.097 -2.251 589 HG LEU 77 HG LEU 77 -0.798 -5.076 -5.094 590 HD11 LEU 77 1HD1 LEU 77 -2.815 -6.596 -3.439 591 HD12 LEU 77 2HD1 LEU 77 -2.065 -7.113 -4.954 592 HD13 LEU 77 3HD1 LEU 77 -3.202 -5.765 -4.945 593 HD21 LEU 77 3HD2 LEU 77 -2.393 -3.482 -4.326 594 HD22 LEU 77 1HD2 LEU 77 -1.011 -3.387 -3.234 595 HD23 LEU 77 2HD2 LEU 77 -2.478 -4.232 -2.733 596 H PHE 78 H PHE 78 2.640 -6.402 -1.445 597 HA PHE 78 HA PHE 78 4.281 -7.466 -3.634 598 HB2 PHE 78 1HB PHE 78 4.962 -6.369 -0.947 599 HB3 PHE 78 2HB PHE 78 5.998 -7.614 -1.623 600 HD1 PHE 78 2HD PHE 78 4.566 -4.258 -2.318 601 HD2 PHE 78 1HD PHE 78 7.645 -7.070 -3.169 602 HE1 PHE 78 2HE PHE 78 5.773 -2.545 -3.609 603 HE2 PHE 78 1HE PHE 78 8.855 -5.362 -4.457 604 HZ PHE 78 HZ PHE 78 7.918 -3.096 -4.681 605 H LYS 79 H LYS 79 5.273 -9.533 -3.331 606 HA LYS 79 HA LYS 79 4.175 -11.186 -1.188 607 HB2 LYS 79 1HB LYS 79 2.676 -11.513 -3.040 608 HB3 LYS 79 2HB LYS 79 4.019 -11.757 -4.145 609 HG2 LYS 79 1HG LYS 79 4.570 -13.834 -3.000 610 HG3 LYS 79 2HG LYS 79 3.269 -13.556 -1.840 611 HD2 LYS 79 1HD LYS 79 1.630 -13.678 -3.638 612 HD3 LYS 79 2HD LYS 79 2.924 -13.914 -4.812 613 HE2 LYS 79 1HE LYS 79 3.558 -15.992 -3.667 614 HE3 LYS 79 2HE LYS 79 2.236 -15.758 -2.527 615 HZ1 LYS 79 3HZ LYS 79 0.675 -15.913 -4.350 616 HZ2 LYS 79 1HZ LYS 79 1.642 -17.299 -4.290 617 HZ3 LYS 79 2HZ LYS 79 1.938 -16.114 -5.459 618 H ASN 80 H ASN 80 5.824 -12.126 -0.226 619 HA ASN 80 HA ASN 80 7.979 -12.705 0.252 620 HB2 ASN 80 1HB ASN 80 8.644 -14.498 -1.783 621 HB3 ASN 80 2HB ASN 80 7.898 -14.877 -0.240 622 HD21 ASN 80 1HD2 ASN 80 7.358 -14.349 -3.637 623 HD22 ASN 80 2HD2 ASN 80 5.761 -15.011 -3.690 624 H GLY 81 H GLY 81 8.110 -10.306 -0.980 625 HA2 GLY 81 1HA GLY 81 9.683 -8.892 -1.861 626 HA3 GLY 81 2HA GLY 81 10.806 -10.240 -1.814 627 H LYS 82 H LYS 82 8.032 -10.954 -3.627 628 HA LYS 82 HA LYS 82 9.564 -10.560 -6.104 629 HB2 LYS 82 1HB LYS 82 7.450 -12.575 -5.338 630 HB3 LYS 82 2HB LYS 82 8.047 -12.376 -6.971 631 HG2 LYS 82 1HG LYS 82 9.732 -13.130 -4.597 632 HG3 LYS 82 2HG LYS 82 9.103 -14.254 -5.805 633 HD2 LYS 82 1HD LYS 82 10.351 -13.061 -7.548 634 HD3 LYS 82 2HD LYS 82 10.990 -11.960 -6.328 635 HE2 LYS 82 1HE LYS 82 12.093 -13.813 -5.208 636 HE3 LYS 82 2HE LYS 82 11.417 -14.942 -6.381 637 HZ1 LYS 82 3HZ LYS 82 13.273 -12.721 -7.030 638 HZ2 LYS 82 1HZ LYS 82 12.663 -13.863 -8.118 639 HZ3 LYS 82 2HZ LYS 82 13.716 -14.344 -6.884 640 H GLU 83 H GLU 83 7.217 -9.195 -4.376 641 HA GLU 83 HA GLU 83 5.550 -7.737 -4.772 642 HB2 GLU 83 1HB GLU 83 7.221 -6.959 -6.548 643 HB3 GLU 83 2HB GLU 83 6.269 -7.877 -7.699 644 HG2 GLU 83 1HG GLU 83 4.322 -6.475 -7.183 645 HG3 GLU 83 2HG GLU 83 5.314 -5.536 -6.066 646 H VAL 84 H VAL 84 3.464 -7.516 -6.261 647 HA VAL 84 HA VAL 84 2.723 -9.987 -7.535 648 HB VAL 84 HB VAL 84 2.131 -10.001 -4.999 649 HG11 VAL 84 1HG1 VAL 84 0.980 -7.896 -4.899 650 HG12 VAL 84 2HG1 VAL 84 -0.152 -9.205 -4.555 651 HG13 VAL 84 3HG1 VAL 84 -0.162 -8.425 -6.133 652 HG21 VAL 84 3HG2 VAL 84 1.565 -11.740 -6.587 653 HG22 VAL 84 1HG2 VAL 84 0.158 -10.816 -7.109 654 HG23 VAL 84 2HG2 VAL 84 0.235 -11.451 -5.465 655 H ALA 85 H ALA 85 1.992 -6.660 -6.691 656 HA ALA 85 HA ALA 85 0.996 -6.173 -9.359 657 HB1 ALA 85 1HB ALA 85 -0.872 -5.759 -7.031 658 HB2 ALA 85 2HB ALA 85 -1.062 -6.968 -8.302 659 HB3 ALA 85 3HB ALA 85 -1.166 -5.246 -8.694 660 H LYS 86 H LYS 86 0.498 -3.882 -9.703 661 HA LYS 86 HA LYS 86 1.461 -2.090 -7.641 662 HB2 LYS 86 1HB LYS 86 3.504 -2.448 -8.790 663 HB3 LYS 86 2HB LYS 86 2.721 -2.381 -10.362 664 HG2 LYS 86 1HG LYS 86 2.404 -0.022 -10.184 665 HG3 LYS 86 2HG LYS 86 2.941 -0.024 -8.505 666 HD2 LYS 86 1HD LYS 86 5.170 -0.742 -9.226 667 HD3 LYS 86 2HD LYS 86 4.628 -0.722 -10.905 668 HE2 LYS 86 1HE LYS 86 4.218 1.660 -10.777 669 HE3 LYS 86 2HE LYS 86 4.644 1.672 -9.068 670 HZ1 LYS 86 3HZ LYS 86 6.458 1.065 -11.339 671 HZ2 LYS 86 1HZ LYS 86 6.886 0.939 -9.709 672 HZ3 LYS 86 2HZ LYS 86 6.488 2.443 -10.363 673 H VAL 87 H VAL 87 0.081 -0.472 -7.437 674 HA VAL 87 HA VAL 87 -1.132 0.661 -9.878 675 HB VAL 87 HB VAL 87 -2.471 0.727 -7.169 676 HG11 VAL 87 1HG1 VAL 87 -3.474 1.287 -9.955 677 HG12 VAL 87 2HG1 VAL 87 -3.117 2.481 -8.706 678 HG13 VAL 87 3HG1 VAL 87 -4.449 1.342 -8.487 679 HG21 VAL 87 3HG2 VAL 87 -3.116 -1.180 -9.418 680 HG22 VAL 87 1HG2 VAL 87 -3.974 -1.036 -7.880 681 HG23 VAL 87 2HG2 VAL 87 -2.307 -1.621 -7.915 682 H VAL 88 H VAL 88 -0.968 2.866 -10.060 683 HA VAL 88 HA VAL 88 0.577 4.149 -7.903 684 HB VAL 88 HB VAL 88 0.980 4.954 -10.748 685 HG11 VAL 88 1HG1 VAL 88 3.245 5.438 -9.908 686 HG12 VAL 88 2HG1 VAL 88 2.761 4.845 -8.318 687 HG13 VAL 88 3HG1 VAL 88 1.992 6.281 -8.996 688 HG21 VAL 88 3HG2 VAL 88 2.647 3.274 -11.116 689 HG22 VAL 88 1HG2 VAL 88 1.141 2.465 -10.673 690 HG23 VAL 88 2HG2 VAL 88 2.438 2.637 -9.486 691 H GLY 89 H GLY 89 -1.531 4.935 -7.195 692 HA2 GLY 89 1HA GLY 89 -1.927 7.582 -7.600 693 HA3 GLY 89 2HA GLY 89 -2.916 6.841 -8.852 694 H ALA 90 H ALA 90 -4.511 8.121 -7.461 695 HA ALA 90 HA ALA 90 -5.329 6.948 -4.985 696 HB1 ALA 90 1HB ALA 90 -6.945 8.729 -6.802 697 HB2 ALA 90 2HB ALA 90 -5.747 9.329 -5.656 698 HB3 ALA 90 3HB ALA 90 -7.176 8.469 -5.073 699 H ASN 91 H ASN 91 -5.818 4.812 -5.154 700 HA ASN 91 HA ASN 91 -7.772 4.042 -7.217 701 HB2 ASN 91 1HB ASN 91 -6.661 1.855 -7.327 702 HB3 ASN 91 2HB ASN 91 -5.550 3.156 -7.735 703 HD21 ASN 91 1HD2 ASN 91 -5.106 0.409 -6.749 704 HD22 ASN 91 2HD2 ASN 91 -4.144 0.579 -5.326 705 HA PRO 92 HA PRO 92 -9.483 2.718 -3.045 706 HB2 PRO 92 1HB PRO 92 -11.935 4.015 -4.007 707 HB3 PRO 92 2HB PRO 92 -11.104 4.205 -2.463 708 HG2 PRO 92 1HG PRO 92 -11.139 6.146 -4.350 709 HG3 PRO 92 2HG PRO 92 -9.782 5.918 -3.233 710 HD2 PRO 92 1HD PRO 92 -10.033 5.130 -6.107 711 HD3 PRO 92 2HD PRO 92 -8.620 5.743 -5.225 712 H ALA 93 H ALA 93 -10.868 2.936 -6.313 713 HA ALA 93 HA ALA 93 -12.355 0.464 -5.929 714 HB1 ALA 93 1HB ALA 93 -13.249 0.852 -8.149 715 HB2 ALA 93 2HB ALA 93 -12.125 2.188 -8.392 716 HB3 ALA 93 3HB ALA 93 -13.391 2.311 -7.170 717 H ALA 94 H ALA 94 -9.598 1.657 -7.784 718 HA ALA 94 HA ALA 94 -9.206 -0.781 -9.224 719 HB1 ALA 94 1HB ALA 94 -7.470 1.651 -8.890 720 HB2 ALA 94 2HB ALA 94 -8.453 1.196 -10.277 721 HB3 ALA 94 3HB ALA 94 -7.016 0.259 -9.870 722 H ILE 95 H ILE 95 -8.260 0.288 -6.053 723 HA ILE 95 HA ILE 95 -6.116 -1.446 -5.620 724 HB ILE 95 HB ILE 95 -7.142 0.130 -3.866 725 HG12 ILE 95 1HG1 ILE 95 -6.282 -1.184 -2.024 726 HG13 ILE 95 2HG1 ILE 95 -6.538 -2.684 -2.911 727 HG21 ILE 95 1HG2 ILE 95 -8.770 -0.838 -2.329 728 HG22 ILE 95 2HG2 ILE 95 -8.890 -2.276 -3.354 729 HG23 ILE 95 3HG2 ILE 95 -9.435 -0.704 -3.958 730 HD11 ILE 95 3HD1 ILE 95 -4.774 -2.144 -4.434 731 HD12 ILE 95 1HD1 ILE 95 -4.177 -1.968 -2.785 732 HD13 ILE 95 2HD1 ILE 95 -4.594 -0.538 -3.729 733 H LYS 96 H LYS 96 -9.558 -1.975 -5.797 734 HA LYS 96 HA LYS 96 -9.616 -4.624 -4.917 735 HB2 LYS 96 1HB LYS 96 -11.643 -3.305 -5.097 736 HB3 LYS 96 2HB LYS 96 -11.441 -3.180 -6.841 737 HG2 LYS 96 1HG LYS 96 -13.112 -4.820 -6.378 738 HG3 LYS 96 2HG LYS 96 -11.669 -5.624 -6.993 739 HD2 LYS 96 1HD LYS 96 -12.379 -6.958 -5.189 740 HD3 LYS 96 2HD LYS 96 -11.027 -6.002 -4.558 741 HE2 LYS 96 1HE LYS 96 -12.500 -4.526 -3.423 742 HE3 LYS 96 2HE LYS 96 -13.912 -5.188 -4.244 743 HZ1 LYS 96 3HZ LYS 96 -12.208 -6.636 -2.287 744 HZ2 LYS 96 1HZ LYS 96 -13.557 -7.276 -3.079 745 HZ3 LYS 96 2HZ LYS 96 -13.748 -6.006 -1.983 746 H GLN 97 H GLN 97 -8.878 -3.204 -8.027 747 HA GLN 97 HA GLN 97 -8.834 -5.486 -9.620 748 HB2 GLN 97 1HB GLN 97 -8.529 -3.188 -10.486 749 HB3 GLN 97 2HB GLN 97 -6.963 -3.098 -9.700 750 HG2 GLN 97 1HG GLN 97 -7.558 -5.213 -11.741 751 HG3 GLN 97 2HG GLN 97 -7.054 -3.597 -12.215 752 HE21 GLN 97 1HE2 GLN 97 -5.233 -3.210 -10.003 753 HE22 GLN 97 2HE2 GLN 97 -3.863 -4.240 -10.284 754 H ALA 98 H ALA 98 -6.179 -4.026 -7.740 755 HA ALA 98 HA ALA 98 -4.456 -6.284 -8.174 756 HB1 ALA 98 1HB ALA 98 -4.153 -4.000 -6.208 757 HB2 ALA 98 2HB ALA 98 -3.569 -3.990 -7.869 758 HB3 ALA 98 3HB ALA 98 -2.873 -5.115 -6.700 759 H ILE 99 H ILE 99 -6.679 -5.310 -5.799 760 HA ILE 99 HA ILE 99 -5.682 -6.885 -3.663 761 HB ILE 99 HB ILE 99 -7.483 -4.796 -3.899 762 HG12 ILE 99 1HG1 ILE 99 -6.017 -5.048 -2.052 763 HG13 ILE 99 2HG1 ILE 99 -7.659 -5.068 -1.407 764 HG21 ILE 99 1HG2 ILE 99 -9.257 -6.547 -4.314 765 HG22 ILE 99 2HG2 ILE 99 -9.554 -5.336 -3.061 766 HG23 ILE 99 3HG2 ILE 99 -9.053 -6.975 -2.612 767 HD11 ILE 99 3HD1 ILE 99 -6.921 -6.891 -0.323 768 HD12 ILE 99 1HD1 ILE 99 -5.660 -7.214 -1.517 769 HD13 ILE 99 2HD1 ILE 99 -7.328 -7.682 -1.860 770 H ALA 100 H ALA 100 -8.265 -7.340 -6.006 771 HA ALA 100 HA ALA 100 -9.068 -9.788 -4.704 772 HB1 ALA 100 1HB ALA 100 -10.139 -8.516 -7.224 773 HB2 ALA 100 2HB ALA 100 -10.793 -8.305 -5.600 774 HB3 ALA 100 3HB ALA 100 -10.848 -9.889 -6.374 775 H ALA 101 H ALA 101 -7.483 -8.749 -7.676 776 HA ALA 101 HA ALA 101 -7.401 -11.310 -8.883 777 HB1 ALA 101 1HB ALA 101 -5.598 -8.944 -9.371 778 HB2 ALA 101 2HB ALA 101 -7.142 -9.241 -10.167 779 HB3 ALA 101 3HB ALA 101 -5.791 -10.343 -10.427 780 H ASN 102 H ASN 102 -5.245 -9.597 -6.669 781 HA ASN 102 HA ASN 102 -3.398 -11.885 -6.875 782 HB2 ASN 102 1HB ASN 102 -2.912 -9.169 -5.657 783 HB3 ASN 102 2HB ASN 102 -1.720 -10.459 -5.813 784 HD21 ASN 102 1HD2 ASN 102 -3.441 -7.962 -7.394 785 HD22 ASN 102 2HD2 ASN 102 -2.632 -8.061 -8.925 786 H ALA 103 H ALA 103 -4.373 -9.721 -4.191 787 HA ALA 103 HA ALA 103 -3.817 -11.652 -2.194 788 HB1 ALA 103 1HB ALA 103 -3.848 -9.240 -1.732 789 HB2 ALA 103 2HB ALA 103 -4.925 -10.117 -0.642 790 HB3 ALA 103 3HB ALA 103 -5.588 -9.214 -2.004 Start of MODEL 10 1 H1 MET 1 1H MET 1 -8.322 0.245 9.186 2 H2 MET 1 2H MET 1 -7.520 1.448 10.062 3 H3 MET 1 3H MET 1 -8.992 0.839 10.621 4 HA MET 1 HA MET 1 -7.107 -0.018 11.861 5 HB2 MET 1 1HB MET 1 -7.731 -2.400 11.708 6 HB3 MET 1 2HB MET 1 -9.138 -1.347 11.742 7 HG2 MET 1 1HG MET 1 -9.386 -1.575 9.334 8 HG3 MET 1 2HG MET 1 -7.951 -2.595 9.274 9 HE1 MET 1 3HE MET 1 -9.085 -5.805 11.137 10 HE2 MET 1 1HE MET 1 -8.302 -4.417 11.890 11 HE3 MET 1 2HE MET 1 -7.780 -4.967 10.301 12 H VAL 2 H VAL 2 -5.914 0.905 9.343 13 HA VAL 2 HA VAL 2 -4.209 -1.394 8.693 14 HB VAL 2 HB VAL 2 -4.360 -0.789 6.553 15 HG11 VAL 2 1HG1 VAL 2 -5.799 0.953 5.761 16 HG12 VAL 2 2HG1 VAL 2 -5.790 1.731 7.346 17 HG13 VAL 2 3HG1 VAL 2 -6.551 0.153 7.144 18 HG21 VAL 2 3HG2 VAL 2 -3.206 1.848 7.412 19 HG22 VAL 2 1HG2 VAL 2 -3.358 1.309 5.744 20 HG23 VAL 2 2HG2 VAL 2 -2.323 0.430 6.861 21 H THR 3 H THR 3 -2.081 -1.379 9.033 22 HA THR 3 HA THR 3 -1.120 0.453 11.029 23 HB THR 3 HB THR 3 -0.384 -2.175 9.996 24 HG1 THR 3 1HG THR 3 -0.973 -2.181 12.056 25 HG21 THR 3 3HG2 THR 3 1.878 -0.372 10.864 26 HG22 THR 3 1HG2 THR 3 1.604 -0.928 9.206 27 HG23 THR 3 2HG2 THR 3 1.987 -2.092 10.485 28 H GLN 4 H GLN 4 0.540 1.840 10.913 29 HA GLN 4 HA GLN 4 1.603 2.490 8.256 30 HB2 GLN 4 1HB GLN 4 2.354 4.625 9.541 31 HB3 GLN 4 2HB GLN 4 0.666 4.460 9.079 32 HG2 GLN 4 1HG GLN 4 0.126 4.844 11.184 33 HG3 GLN 4 2HG GLN 4 0.828 3.281 11.595 34 HE21 GLN 4 1HE2 GLN 4 3.564 4.202 10.929 35 HE22 GLN 4 2HE2 GLN 4 4.033 5.231 12.234 36 H PHE 5 H PHE 5 3.656 1.885 7.855 37 HA PHE 5 HA PHE 5 5.199 0.698 9.977 38 HB2 PHE 5 1HB PHE 5 5.789 1.177 7.066 39 HB3 PHE 5 2HB PHE 5 6.981 0.511 8.167 40 HD1 PHE 5 2HD PHE 5 5.196 -1.266 9.793 41 HD2 PHE 5 1HD PHE 5 5.433 -0.586 5.605 42 HE1 PHE 5 2HE PHE 5 4.330 -3.527 9.380 43 HE2 PHE 5 1HE PHE 5 4.577 -2.840 5.178 44 HZ PHE 5 HZ PHE 5 4.021 -4.320 7.070 45 H LYS 6 H LYS 6 7.287 1.357 10.636 46 HA LYS 6 HA LYS 6 7.505 4.271 10.662 47 HB2 LYS 6 1HB LYS 6 9.132 3.663 12.630 48 HB3 LYS 6 2HB LYS 6 7.389 3.655 12.859 49 HG2 LYS 6 1HG LYS 6 7.396 1.210 12.490 50 HG3 LYS 6 2HG LYS 6 9.158 1.261 12.398 51 HD2 LYS 6 1HD LYS 6 9.374 1.860 14.643 52 HD3 LYS 6 2HD LYS 6 7.699 2.398 14.759 53 HE2 LYS 6 1HE LYS 6 7.962 0.317 15.947 54 HE3 LYS 6 2HE LYS 6 6.962 0.058 14.524 55 HZ1 LYS 6 3HZ LYS 6 8.694 -1.038 13.424 56 HZ2 LYS 6 1HZ LYS 6 8.721 -1.653 14.997 57 HZ3 LYS 6 2HZ LYS 6 9.864 -0.502 14.526 58 H THR 7 H THR 7 9.159 1.489 9.470 59 HA THR 7 HA THR 7 11.258 3.289 8.523 60 HB THR 7 HB THR 7 12.990 1.580 8.788 61 HG1 THR 7 1HG THR 7 12.044 -0.068 10.544 62 HG21 THR 7 3HG2 THR 7 11.566 2.214 11.374 63 HG22 THR 7 1HG2 THR 7 12.740 3.245 10.556 64 HG23 THR 7 2HG2 THR 7 13.244 1.693 11.225 65 H ALA 8 H ALA 8 12.250 2.712 6.546 66 HA ALA 8 HA ALA 8 10.714 1.416 4.587 67 HB1 ALA 8 1HB ALA 8 12.618 2.968 4.144 68 HB2 ALA 8 2HB ALA 8 12.711 1.465 3.224 69 HB3 ALA 8 3HB ALA 8 13.727 1.692 4.647 70 H SER 9 H SER 9 13.075 0.327 6.901 71 HA SER 9 HA SER 9 13.505 -2.289 6.008 72 HB2 SER 9 1HB SER 9 13.499 -1.327 8.875 73 HB3 SER 9 2HB SER 9 14.387 -2.699 8.213 74 HG SER 9 HG SER 9 15.343 -0.952 6.775 75 H GLU 10 H GLU 10 11.002 -0.892 8.121 76 HA GLU 10 HA GLU 10 9.778 -3.308 8.917 77 HB2 GLU 10 1HB GLU 10 8.608 -0.561 8.463 78 HB3 GLU 10 2HB GLU 10 7.701 -1.891 9.169 79 HG2 GLU 10 1HG GLU 10 10.239 -0.757 10.313 80 HG3 GLU 10 2HG GLU 10 8.616 -0.297 10.819 81 H PHE 11 H PHE 11 8.995 -1.128 6.254 82 HA PHE 11 HA PHE 11 7.007 -2.668 5.038 83 HB2 PHE 11 1HB PHE 11 7.034 -0.513 4.276 84 HB3 PHE 11 2HB PHE 11 8.787 -0.419 4.243 85 HD1 PHE 11 2HD PHE 11 5.786 -1.417 2.392 86 HD2 PHE 11 1HD PHE 11 10.021 -1.046 2.289 87 HE1 PHE 11 2HE PHE 11 5.741 -1.680 -0.054 88 HE2 PHE 11 1HE PHE 11 9.986 -1.305 -0.161 89 HZ PHE 11 HZ PHE 11 7.844 -1.622 -1.334 90 H ASP 12 H ASP 12 10.489 -2.541 4.468 91 HA ASP 12 HA ASP 12 10.685 -4.308 2.336 92 HB2 ASP 12 1HB ASP 12 12.589 -3.019 3.001 93 HB3 ASP 12 2HB ASP 12 12.592 -3.739 4.607 94 H SER 13 H SER 13 10.715 -5.001 5.814 95 HA SER 13 HA SER 13 11.167 -7.778 5.511 96 HB2 SER 13 1HB SER 13 11.656 -6.579 7.610 97 HB3 SER 13 2HB SER 13 9.936 -6.275 7.837 98 HG SER 13 HG SER 13 10.898 -8.908 7.520 99 H ALA 14 H ALA 14 8.230 -5.837 5.888 100 HA ALA 14 HA ALA 14 6.423 -7.973 6.133 101 HB1 ALA 14 1HB ALA 14 5.708 -5.744 6.660 102 HB2 ALA 14 2HB ALA 14 4.717 -6.346 5.326 103 HB3 ALA 14 3HB ALA 14 6.025 -5.206 5.011 104 H ILE 15 H ILE 15 7.517 -6.174 3.273 105 HA ILE 15 HA ILE 15 5.797 -7.542 1.496 106 HB ILE 15 HB ILE 15 7.127 -6.539 -0.303 107 HG12 ILE 15 1HG1 ILE 15 8.837 -5.333 1.867 108 HG13 ILE 15 2HG1 ILE 15 9.317 -6.757 0.953 109 HG21 ILE 15 1HG2 ILE 15 5.354 -5.257 0.756 110 HG22 ILE 15 2HG2 ILE 15 6.683 -4.198 0.286 111 HG23 ILE 15 3HG2 ILE 15 6.484 -4.667 1.974 112 HD11 ILE 15 3HD1 ILE 15 10.333 -4.745 0.059 113 HD12 ILE 15 1HD1 ILE 15 8.737 -4.038 -0.189 114 HD13 ILE 15 2HD1 ILE 15 9.224 -5.462 -1.110 115 H ALA 16 H ALA 16 8.855 -8.365 2.882 116 HA ALA 16 HA ALA 16 9.482 -10.321 0.825 117 HB1 ALA 16 1HB ALA 16 10.784 -9.901 3.503 118 HB2 ALA 16 2HB ALA 16 11.252 -9.072 2.018 119 HB3 ALA 16 3HB ALA 16 11.429 -10.823 2.146 120 H GLN 17 H GLN 17 7.293 -10.266 3.258 121 HA GLN 17 HA GLN 17 7.783 -12.895 4.328 122 HB2 GLN 17 1HB GLN 17 5.522 -10.934 4.715 123 HB3 GLN 17 2HB GLN 17 5.595 -12.499 5.515 124 HG2 GLN 17 1HG GLN 17 7.612 -11.884 6.656 125 HG3 GLN 17 2HG GLN 17 7.706 -10.372 5.758 126 HE21 GLN 17 1HE2 GLN 17 4.825 -9.906 5.958 127 HE22 GLN 17 2HE2 GLN 17 4.541 -9.395 7.586 128 H ASP 18 H ASP 18 5.991 -14.515 4.345 129 HA ASP 18 HA ASP 18 5.451 -15.188 1.599 130 HB2 ASP 18 1HB ASP 18 4.870 -16.686 4.164 131 HB3 ASP 18 2HB ASP 18 4.653 -17.342 2.547 132 H LYS 19 H LYS 19 3.911 -12.991 2.875 133 HA LYS 19 HA LYS 19 1.232 -14.027 2.265 134 HB2 LYS 19 1HB LYS 19 0.270 -13.183 4.125 135 HB3 LYS 19 2HB LYS 19 1.832 -13.612 4.781 136 HG2 LYS 19 1HG LYS 19 2.558 -11.378 4.827 137 HG3 LYS 19 2HG LYS 19 1.236 -10.844 3.785 138 HD2 LYS 19 1HD LYS 19 0.928 -11.946 6.574 139 HD3 LYS 19 2HD LYS 19 0.863 -10.238 6.140 140 HE2 LYS 19 1HE LYS 19 -1.119 -10.537 4.879 141 HE3 LYS 19 2HE LYS 19 -0.974 -12.294 4.923 142 HZ1 LYS 19 3HZ LYS 19 -1.616 -10.476 7.194 143 HZ2 LYS 19 1HZ LYS 19 -1.290 -12.130 7.374 144 HZ3 LYS 19 2HZ LYS 19 -2.633 -11.629 6.482 145 H LEU 20 H LEU 20 -0.289 -12.218 1.727 146 HA LEU 20 HA LEU 20 1.004 -10.502 -0.173 147 HB2 LEU 20 1HB LEU 20 -1.282 -11.606 -0.451 148 HB3 LEU 20 2HB LEU 20 -1.890 -10.410 0.670 149 HG LEU 20 HG LEU 20 -2.308 -9.885 -1.740 150 HD11 LEU 20 1HD1 LEU 20 -2.378 -8.111 -0.110 151 HD12 LEU 20 2HD1 LEU 20 -1.669 -7.533 -1.617 152 HD13 LEU 20 3HD1 LEU 20 -0.633 -7.896 -0.236 153 HD21 LEU 20 3HD2 LEU 20 -0.427 -8.983 -3.042 154 HD22 LEU 20 1HD2 LEU 20 -0.270 -10.709 -2.716 155 HD23 LEU 20 2HD2 LEU 20 0.678 -9.541 -1.792 156 H VAL 21 H VAL 21 1.928 -8.653 0.359 157 HA VAL 21 HA VAL 21 0.759 -7.130 2.593 158 HB VAL 21 HB VAL 21 3.629 -7.219 1.635 159 HG11 VAL 21 1HG1 VAL 21 2.402 -5.405 3.713 160 HG12 VAL 21 2HG1 VAL 21 2.974 -4.901 2.124 161 HG13 VAL 21 3HG1 VAL 21 4.117 -5.526 3.319 162 HG21 VAL 21 3HG2 VAL 21 2.343 -7.860 4.290 163 HG22 VAL 21 1HG2 VAL 21 4.065 -7.961 3.921 164 HG23 VAL 21 2HG2 VAL 21 2.925 -9.038 3.113 165 H VAL 22 H VAL 22 -0.536 -5.644 1.768 166 HA VAL 22 HA VAL 22 0.413 -4.087 -0.511 167 HB VAL 22 HB VAL 22 -1.655 -4.570 -1.229 168 HG11 VAL 22 1HG1 VAL 22 -2.546 -4.858 1.617 169 HG12 VAL 22 2HG1 VAL 22 -2.218 -6.139 0.445 170 HG13 VAL 22 3HG1 VAL 22 -3.598 -5.066 0.216 171 HG21 VAL 22 3HG2 VAL 22 -3.351 -2.883 -0.684 172 HG22 VAL 22 1HG2 VAL 22 -1.762 -2.170 -0.962 173 HG23 VAL 22 2HG2 VAL 22 -2.370 -2.357 0.684 174 H VAL 23 H VAL 23 1.621 -2.475 0.115 175 HA VAL 23 HA VAL 23 0.786 -0.848 2.425 176 HB VAL 23 HB VAL 23 3.478 -0.859 1.048 177 HG11 VAL 23 1HG1 VAL 23 2.961 1.209 2.201 178 HG12 VAL 23 2HG1 VAL 23 4.224 0.318 3.053 179 HG13 VAL 23 3HG1 VAL 23 2.571 0.313 3.669 180 HG21 VAL 23 3HG2 VAL 23 3.375 -2.977 2.011 181 HG22 VAL 23 1HG2 VAL 23 2.468 -2.400 3.407 182 HG23 VAL 23 2HG2 VAL 23 4.172 -1.993 3.240 183 H ALA 24 H ALA 24 0.480 1.364 2.193 184 HA ALA 24 HA ALA 24 0.686 2.445 -0.536 185 HB1 ALA 24 1HB ALA 24 -1.570 2.441 -0.365 186 HB2 ALA 24 2HB ALA 24 -1.254 3.974 0.448 187 HB3 ALA 24 3HB ALA 24 -1.539 2.510 1.390 188 H PHE 25 H PHE 25 2.041 3.942 -0.788 189 HA PHE 25 HA PHE 25 3.233 5.417 1.330 190 HB2 PHE 25 1HB PHE 25 3.226 5.835 -1.660 191 HB3 PHE 25 2HB PHE 25 4.266 6.712 -0.537 192 HD1 PHE 25 2HD PHE 25 3.573 3.464 -2.097 193 HD2 PHE 25 1HD PHE 25 6.183 5.655 0.452 194 HE1 PHE 25 2HE PHE 25 5.241 1.668 -2.271 195 HE2 PHE 25 1HE PHE 25 7.858 3.863 0.276 196 HZ PHE 25 HZ PHE 25 7.389 1.866 -1.083 197 H TYR 26 H TYR 26 2.484 7.165 2.312 198 HA TYR 26 HA TYR 26 0.051 8.408 1.217 199 HB2 TYR 26 1HB TYR 26 0.311 6.651 3.403 200 HB3 TYR 26 2HB TYR 26 0.016 8.252 4.080 201 HD1 TYR 26 2HD TYR 26 -1.211 5.974 1.439 202 HD2 TYR 26 1HD TYR 26 -2.146 9.007 4.258 203 HE1 TYR 26 2HE TYR 26 -3.581 5.761 0.870 204 HE2 TYR 26 1HE TYR 26 -4.527 8.803 3.695 205 HH TYR 26 HH TYR 26 -5.857 6.353 2.321 206 H ALA 27 H ALA 27 -0.634 10.283 2.663 207 HA ALA 27 HA ALA 27 1.393 11.649 4.140 208 HB1 ALA 27 1HB ALA 27 1.446 13.674 2.767 209 HB2 ALA 27 2HB ALA 27 0.415 12.898 1.565 210 HB3 ALA 27 3HB ALA 27 2.043 12.287 1.856 211 H THR 28 H THR 28 0.482 13.259 5.446 212 HA THR 28 HA THR 28 -2.382 13.090 5.746 213 HB THR 28 HB THR 28 -1.849 14.738 7.681 214 HG1 THR 28 1HG THR 28 0.553 13.991 8.200 215 HG21 THR 28 3HG2 THR 28 -1.146 12.859 9.105 216 HG22 THR 28 1HG2 THR 28 -0.790 11.911 7.661 217 HG23 THR 28 2HG2 THR 28 -2.448 12.401 8.009 218 H TRP 29 H TRP 29 -0.463 14.940 3.832 219 HA TRP 29 HA TRP 29 -2.176 17.310 4.094 220 HB2 TRP 29 1HB TRP 29 -0.096 18.406 2.894 221 HB3 TRP 29 2HB TRP 29 -0.141 18.191 4.637 222 HD1 TRP 29 HD TRP 29 1.565 16.523 5.711 223 HE1 TRP 29 1HE TRP 29 3.674 15.332 4.836 224 HE3 TRP 29 3HE TRP 29 0.879 17.259 0.700 225 HZ2 TRP 29 2HZ TRP 29 4.873 14.768 2.346 226 HZ3 TRP 29 3HZ TRP 29 2.553 16.358 -0.862 227 HH2 TRP 29 HH TRP 29 4.509 15.139 -0.055 228 H CYS 30 H CYS 30 -3.273 15.430 2.497 229 HA CYS 30 HA CYS 30 -3.116 16.748 -0.074 230 HB2 CYS 30 1HB CYS 30 -2.933 14.489 -1.254 231 HB3 CYS 30 2HB CYS 30 -1.471 15.177 -0.567 232 H GLY 31 H GLY 31 -4.714 15.798 -1.666 233 HA2 GLY 31 1HA GLY 31 -7.271 15.442 -0.345 234 HA3 GLY 31 2HA GLY 31 -7.001 15.669 -2.062 235 HA PRO 32 HA PRO 32 -7.220 11.408 -3.176 236 HB2 PRO 32 1HB PRO 32 -4.272 10.962 -3.097 237 HB3 PRO 32 2HB PRO 32 -5.433 10.587 -4.375 238 HG2 PRO 32 1HG PRO 32 -3.825 12.670 -4.619 239 HG3 PRO 32 2HG PRO 32 -5.525 12.787 -5.116 240 HD2 PRO 32 1HD PRO 32 -4.191 13.839 -2.655 241 HD3 PRO 32 2HD PRO 32 -5.461 14.576 -3.647 242 H CYS 33 H CYS 33 -4.798 11.931 -0.662 243 HA CYS 33 HA CYS 33 -4.938 9.343 0.466 244 HB2 CYS 33 1HB CYS 33 -4.017 10.611 2.521 245 HB3 CYS 33 2HB CYS 33 -3.043 10.578 1.054 246 H LYS 34 H LYS 34 -6.876 12.233 0.878 247 HA LYS 34 HA LYS 34 -8.155 11.418 3.274 248 HB2 LYS 34 1HB LYS 34 -8.131 13.757 2.528 249 HB3 LYS 34 2HB LYS 34 -9.114 13.329 1.135 250 HG2 LYS 34 1HG LYS 34 -10.891 12.578 2.715 251 HG3 LYS 34 2HG LYS 34 -9.915 13.230 4.032 252 HD2 LYS 34 1HD LYS 34 -10.020 15.447 3.018 253 HD3 LYS 34 2HD LYS 34 -10.976 14.798 1.684 254 HE2 LYS 34 1HE LYS 34 -11.765 14.886 4.592 255 HE3 LYS 34 2HE LYS 34 -12.427 15.875 3.292 256 HZ1 LYS 34 3HZ LYS 34 -13.901 14.058 3.798 257 HZ2 LYS 34 1HZ LYS 34 -12.672 12.926 3.540 258 HZ3 LYS 34 2HZ LYS 34 -13.261 13.844 2.249 259 H MET 35 H MET 35 -8.799 10.846 -0.142 260 HA MET 35 HA MET 35 -11.431 9.797 0.398 261 HB2 MET 35 1HB MET 35 -11.516 9.253 -1.993 262 HB3 MET 35 2HB MET 35 -11.103 10.931 -1.684 263 HG2 MET 35 1HG MET 35 -8.725 10.339 -2.055 264 HG3 MET 35 2HG MET 35 -9.253 8.721 -2.504 265 HE1 MET 35 3HE MET 35 -11.398 9.467 -5.719 266 HE2 MET 35 1HE MET 35 -11.975 9.365 -4.056 267 HE3 MET 35 2HE MET 35 -10.783 8.209 -4.648 268 H ILE 36 H ILE 36 -8.339 8.230 -0.585 269 HA ILE 36 HA ILE 36 -9.683 5.699 -0.615 270 HB ILE 36 HB ILE 36 -8.043 5.474 -2.140 271 HG12 ILE 36 1HG1 ILE 36 -7.636 3.899 -0.054 272 HG13 ILE 36 2HG1 ILE 36 -6.568 3.856 -1.443 273 HG21 ILE 36 1HG2 ILE 36 -5.832 6.485 -2.072 274 HG22 ILE 36 2HG2 ILE 36 -6.181 7.132 -0.469 275 HG23 ILE 36 3HG2 ILE 36 -7.112 7.680 -1.863 276 HD11 ILE 36 3HD1 ILE 36 -4.919 5.122 -0.315 277 HD12 ILE 36 1HD1 ILE 36 -5.446 3.864 0.804 278 HD13 ILE 36 2HD1 ILE 36 -6.031 5.524 0.996 279 H ALA 37 H ALA 37 -8.044 7.547 1.801 280 HA ALA 37 HA ALA 37 -7.162 5.465 3.433 281 HB1 ALA 37 1HB ALA 37 -6.519 7.766 3.797 282 HB2 ALA 37 2HB ALA 37 -7.168 7.040 5.271 283 HB3 ALA 37 3HB ALA 37 -8.152 8.159 4.331 284 HA PRO 38 HA PRO 38 -11.598 5.241 5.404 285 HB2 PRO 38 1HB PRO 38 -13.220 6.374 3.206 286 HB3 PRO 38 2HB PRO 38 -13.415 6.551 4.953 287 HG2 PRO 38 1HG PRO 38 -12.518 8.565 3.448 288 HG3 PRO 38 2HG PRO 38 -11.889 8.278 5.081 289 HD2 PRO 38 1HD PRO 38 -10.663 7.619 2.433 290 HD3 PRO 38 2HD PRO 38 -9.901 8.250 3.905 291 H MET 39 H MET 39 -11.182 5.202 1.854 292 HA MET 39 HA MET 39 -12.879 2.969 1.447 293 HB2 MET 39 1HB MET 39 -10.631 4.019 -0.256 294 HB3 MET 39 2HB MET 39 -11.749 2.767 -0.767 295 HG2 MET 39 1HG MET 39 -12.484 5.588 -0.022 296 HG3 MET 39 2HG MET 39 -12.367 4.946 -1.659 297 HE1 MET 39 3HE MET 39 -13.641 2.072 -1.433 298 HE2 MET 39 1HE MET 39 -14.039 3.223 -2.710 299 HE3 MET 39 2HE MET 39 -15.328 2.423 -1.808 300 H ILE 40 H ILE 40 -9.252 2.947 1.288 301 HA ILE 40 HA ILE 40 -9.217 0.126 1.353 302 HB ILE 40 HB ILE 40 -7.046 2.187 1.771 303 HG12 ILE 40 1HG1 ILE 40 -7.586 0.073 -0.333 304 HG13 ILE 40 2HG1 ILE 40 -8.034 1.768 -0.473 305 HG21 ILE 40 1HG2 ILE 40 -6.687 -0.808 1.805 306 HG22 ILE 40 2HG2 ILE 40 -6.523 0.261 3.199 307 HG23 ILE 40 3HG2 ILE 40 -5.408 0.408 1.839 308 HD11 ILE 40 3HD1 ILE 40 -6.078 1.488 -1.715 309 HD12 ILE 40 1HD1 ILE 40 -5.288 0.578 -0.422 310 HD13 ILE 40 2HD1 ILE 40 -5.605 2.300 -0.224 311 H GLU 41 H GLU 41 -9.474 2.464 3.895 312 HA GLU 41 HA GLU 41 -8.946 0.778 6.074 313 HB2 GLU 41 1HB GLU 41 -9.462 3.202 6.267 314 HB3 GLU 41 2HB GLU 41 -11.136 2.853 5.864 315 HG2 GLU 41 1HG GLU 41 -11.408 1.575 7.874 316 HG3 GLU 41 2HG GLU 41 -9.695 1.741 8.256 317 H LYS 42 H LYS 42 -11.939 1.222 4.153 318 HA LYS 42 HA LYS 42 -13.360 -0.782 5.559 319 HB2 LYS 42 1HB LYS 42 -14.548 0.840 4.178 320 HB3 LYS 42 2HB LYS 42 -13.723 0.253 2.739 321 HG2 LYS 42 1HG LYS 42 -14.815 -2.039 3.570 322 HG3 LYS 42 2HG LYS 42 -15.988 -0.903 4.239 323 HD2 LYS 42 1HD LYS 42 -15.081 -0.949 1.374 324 HD3 LYS 42 2HD LYS 42 -16.560 -1.706 1.964 325 HE2 LYS 42 1HE LYS 42 -17.296 0.528 2.786 326 HE3 LYS 42 2HE LYS 42 -15.874 1.231 2.017 327 HZ1 LYS 42 3HZ LYS 42 -17.772 1.453 0.582 328 HZ2 LYS 42 1HZ LYS 42 -18.081 -0.207 0.650 329 HZ3 LYS 42 2HZ LYS 42 -16.687 0.359 -0.116 330 H PHE 43 H PHE 43 -11.338 -0.803 2.685 331 HA PHE 43 HA PHE 43 -11.854 -3.524 2.119 332 HB2 PHE 43 1HB PHE 43 -9.548 -1.841 1.152 333 HB3 PHE 43 2HB PHE 43 -10.033 -3.416 0.547 334 HD1 PHE 43 1HD PHE 43 -12.774 -1.322 1.424 335 HD2 PHE 43 2HD PHE 43 -10.024 -2.228 -1.710 336 HE1 PHE 43 1HE PHE 43 -14.265 -0.224 -0.208 337 HE2 PHE 43 2HE PHE 43 -11.511 -1.119 -3.321 338 HZ PHE 43 HZ PHE 43 -13.629 -0.122 -2.580 339 H SER 44 H SER 44 -9.840 -1.963 4.410 340 HA SER 44 HA SER 44 -7.981 -4.130 4.620 341 HB2 SER 44 1HB SER 44 -7.140 -2.986 6.589 342 HB3 SER 44 2HB SER 44 -7.305 -1.833 5.283 343 HG SER 44 HG SER 44 -9.530 -1.590 6.454 344 H GLU 45 H GLU 45 -11.110 -3.326 5.648 345 HA GLU 45 HA GLU 45 -11.236 -5.471 7.612 346 HB2 GLU 45 1HB GLU 45 -12.689 -3.470 7.802 347 HB3 GLU 45 2HB GLU 45 -13.439 -3.879 6.267 348 HG2 GLU 45 1HG GLU 45 -14.865 -4.510 8.109 349 HG3 GLU 45 2HG GLU 45 -14.313 -5.940 7.240 350 H GLN 46 H GLN 46 -11.390 -5.036 4.230 351 HA GLN 46 HA GLN 46 -12.861 -7.494 3.772 352 HB2 GLN 46 1HB GLN 46 -11.730 -5.691 1.662 353 HB3 GLN 46 2HB GLN 46 -13.000 -6.888 1.478 354 HG2 GLN 46 1HG GLN 46 -13.154 -4.284 2.965 355 HG3 GLN 46 2HG GLN 46 -13.948 -4.706 1.453 356 HE21 GLN 46 1HE2 GLN 46 -14.671 -7.381 2.320 357 HE22 GLN 46 2HE2 GLN 46 -15.970 -7.197 3.447 358 H TYR 47 H TYR 47 -9.714 -6.871 4.336 359 HA TYR 47 HA TYR 47 -8.776 -8.866 2.374 360 HB2 TYR 47 1HB TYR 47 -6.989 -7.285 4.224 361 HB3 TYR 47 2HB TYR 47 -6.505 -8.275 2.851 362 HD1 TYR 47 2HD TYR 47 -8.828 -7.128 1.053 363 HD2 TYR 47 1HD TYR 47 -5.765 -5.384 3.446 364 HE1 TYR 47 2HE TYR 47 -8.857 -5.124 -0.378 365 HE2 TYR 47 1HE TYR 47 -5.791 -3.377 2.022 366 HH TYR 47 HH TYR 47 -6.432 -2.735 -0.242 367 HA PRO 48 HA PRO 48 -8.807 -11.648 5.944 368 HB2 PRO 48 1HB PRO 48 -9.087 -13.810 4.065 369 HB3 PRO 48 2HB PRO 48 -10.278 -13.201 5.213 370 HG2 PRO 48 1HG PRO 48 -10.505 -12.982 2.483 371 HG3 PRO 48 2HG PRO 48 -11.306 -11.909 3.643 372 HD2 PRO 48 1HD PRO 48 -8.810 -11.462 2.057 373 HD3 PRO 48 2HD PRO 48 -10.116 -10.323 2.452 374 H GLN 49 H GLN 49 -7.178 -12.274 2.822 375 HA GLN 49 HA GLN 49 -5.038 -13.636 4.307 376 HB2 GLN 49 1HB GLN 49 -4.433 -14.748 2.244 377 HB3 GLN 49 2HB GLN 49 -6.125 -15.028 2.622 378 HG2 GLN 49 1HG GLN 49 -6.858 -13.592 0.925 379 HG3 GLN 49 2HG GLN 49 -5.262 -12.866 0.733 380 HE21 GLN 49 1HE2 GLN 49 -3.677 -13.975 -0.386 381 HE22 GLN 49 2HE2 GLN 49 -4.039 -15.309 -1.418 382 H ALA 50 H ALA 50 -5.581 -10.669 3.351 383 HA ALA 50 HA ALA 50 -2.826 -10.231 2.430 384 HB1 ALA 50 1HB ALA 50 -4.101 -9.705 0.540 385 HB2 ALA 50 2HB ALA 50 -3.810 -8.145 1.308 386 HB3 ALA 50 3HB ALA 50 -5.369 -8.944 1.493 387 H ASP 51 H ASP 51 -1.751 -8.529 3.365 388 HA ASP 51 HA ASP 51 -3.143 -7.379 5.673 389 HB2 ASP 51 1HB ASP 51 -0.663 -8.670 5.539 390 HB3 ASP 51 2HB ASP 51 -0.286 -6.961 5.746 391 H PHE 52 H PHE 52 -3.187 -5.338 6.062 392 HA PHE 52 HA PHE 52 -2.788 -3.600 3.746 393 HB2 PHE 52 1HB PHE 52 -4.632 -2.323 5.215 394 HB3 PHE 52 2HB PHE 52 -5.058 -3.634 4.113 395 HD1 PHE 52 1HD PHE 52 -5.392 -5.962 5.060 396 HD2 PHE 52 2HD PHE 52 -4.960 -2.540 7.534 397 HE1 PHE 52 1HE PHE 52 -6.356 -7.210 6.934 398 HE2 PHE 52 2HE PHE 52 -5.918 -3.785 9.420 399 HZ PHE 52 HZ PHE 52 -6.612 -6.127 9.125 400 H TYR 53 H TYR 53 -1.193 -2.131 3.932 401 HA TYR 53 HA TYR 53 -0.901 -0.768 6.522 402 HB2 TYR 53 1HB TYR 53 1.473 -1.478 4.801 403 HB3 TYR 53 2HB TYR 53 1.480 -0.812 6.437 404 HD1 TYR 53 1HD TYR 53 0.563 -2.278 8.307 405 HD2 TYR 53 2HD TYR 53 1.604 -3.802 4.485 406 HE1 TYR 53 1HE TYR 53 0.772 -4.526 9.273 407 HE2 TYR 53 2HE TYR 53 1.813 -6.060 5.440 408 HH TYR 53 HH TYR 53 0.614 -6.908 8.425 409 H LYS 54 H LYS 54 -0.109 1.383 6.391 410 HA LYS 54 HA LYS 54 0.159 2.525 3.684 411 HB2 LYS 54 1HB LYS 54 -1.805 3.239 5.734 412 HB3 LYS 54 2HB LYS 54 -0.844 4.617 5.227 413 HG2 LYS 54 1HG LYS 54 -2.460 4.824 3.676 414 HG3 LYS 54 2HG LYS 54 -1.503 3.627 2.819 415 HD2 LYS 54 1HD LYS 54 -3.678 2.764 2.658 416 HD3 LYS 54 2HD LYS 54 -3.002 1.896 4.047 417 HE2 LYS 54 1HE LYS 54 -4.999 4.133 3.982 418 HE3 LYS 54 2HE LYS 54 -5.129 2.550 4.746 419 HZ1 LYS 54 3HZ LYS 54 -4.850 4.309 6.372 420 HZ2 LYS 54 1HZ LYS 54 -3.385 4.770 5.669 421 HZ3 LYS 54 2HZ LYS 54 -3.532 3.260 6.407 422 H LEU 55 H LEU 55 2.007 3.732 3.436 423 HA LEU 55 HA LEU 55 3.617 4.235 5.870 424 HB2 LEU 55 1HB LEU 55 4.413 4.686 2.990 425 HB3 LEU 55 2HB LEU 55 5.458 4.756 4.382 426 HG LEU 55 HG LEU 55 4.107 2.270 3.365 427 HD11 LEU 55 1HD1 LEU 55 6.985 3.151 3.223 428 HD12 LEU 55 2HD1 LEU 55 5.863 3.057 1.866 429 HD13 LEU 55 3HD1 LEU 55 6.354 1.587 2.707 430 HD21 LEU 55 3HD2 LEU 55 5.642 1.161 4.960 431 HD22 LEU 55 1HD2 LEU 55 4.396 2.145 5.730 432 HD23 LEU 55 2HD2 LEU 55 6.047 2.753 5.604 433 H ASP 56 H ASP 56 3.679 6.257 6.780 434 HA ASP 56 HA ASP 56 2.670 8.556 5.412 435 HB2 ASP 56 1HB ASP 56 4.362 8.226 7.896 436 HB3 ASP 56 2HB ASP 56 3.935 9.805 7.251 437 H VAL 57 H VAL 57 3.679 8.905 3.490 438 HA VAL 57 HA VAL 57 6.341 8.448 2.851 439 HB VAL 57 HB VAL 57 4.147 9.187 1.468 440 HG11 VAL 57 1HG1 VAL 57 5.882 11.652 1.407 441 HG12 VAL 57 2HG1 VAL 57 4.307 11.537 2.192 442 HG13 VAL 57 3HG1 VAL 57 4.436 11.355 0.440 443 HG21 VAL 57 3HG2 VAL 57 7.002 9.459 0.593 444 HG22 VAL 57 1HG2 VAL 57 5.615 9.379 -0.493 445 HG23 VAL 57 2HG2 VAL 57 6.000 8.009 0.550 446 H ASP 58 H ASP 58 4.896 10.930 4.665 447 HA ASP 58 HA ASP 58 6.644 13.075 4.344 448 HB2 ASP 58 1HB ASP 58 4.426 12.965 5.589 449 HB3 ASP 58 2HB ASP 58 5.321 12.263 6.935 450 H GLU 59 H GLU 59 6.854 10.157 6.309 451 HA GLU 59 HA GLU 59 9.575 10.953 7.094 452 HB2 GLU 59 1HB GLU 59 9.381 9.663 9.039 453 HB3 GLU 59 2HB GLU 59 7.827 10.445 8.855 454 HG2 GLU 59 1HG GLU 59 6.909 8.387 7.901 455 HG3 GLU 59 2HG GLU 59 8.459 7.602 8.209 456 H LEU 60 H LEU 60 7.621 8.315 5.829 457 HA LEU 60 HA LEU 60 9.910 6.721 5.094 458 HB2 LEU 60 1HB LEU 60 6.972 6.477 4.421 459 HB3 LEU 60 2HB LEU 60 8.180 5.499 3.608 460 HG LEU 60 HG LEU 60 7.359 4.124 5.279 461 HD11 LEU 60 1HD1 LEU 60 9.179 3.768 6.829 462 HD12 LEU 60 2HD1 LEU 60 9.811 5.377 6.490 463 HD13 LEU 60 3HD1 LEU 60 9.802 4.147 5.219 464 HD21 LEU 60 3HD2 LEU 60 7.491 6.477 7.135 465 HD22 LEU 60 1HD2 LEU 60 7.146 4.829 7.653 466 HD23 LEU 60 2HD2 LEU 60 6.054 5.654 6.542 467 H GLY 61 H GLY 61 10.535 9.101 4.141 468 HA2 GLY 61 1HA GLY 61 9.648 9.523 1.442 469 HA3 GLY 61 2HA GLY 61 10.952 10.372 2.260 470 H ASP 62 H ASP 62 12.542 8.174 2.966 471 HA ASP 62 HA ASP 62 14.031 7.885 0.596 472 HB2 ASP 62 1HB ASP 62 15.488 6.410 1.859 473 HB3 ASP 62 2HB ASP 62 15.031 7.780 2.861 474 H VAL 63 H VAL 63 11.931 5.566 2.307 475 HA VAL 63 HA VAL 63 12.351 3.445 0.506 476 HB VAL 63 HB VAL 63 11.362 2.958 2.653 477 HG11 VAL 63 1HG1 VAL 63 8.973 4.551 1.819 478 HG12 VAL 63 2HG1 VAL 63 10.191 5.064 2.986 479 HG13 VAL 63 3HG1 VAL 63 9.188 3.651 3.323 480 HG21 VAL 63 3HG2 VAL 63 10.750 1.442 0.881 481 HG22 VAL 63 1HG2 VAL 63 9.405 2.491 0.426 482 HG23 VAL 63 2HG2 VAL 63 9.386 1.656 1.980 483 H ALA 64 H ALA 64 10.006 6.066 0.575 484 HA ALA 64 HA ALA 64 8.460 5.363 -1.633 485 HB1 ALA 64 1HB ALA 64 7.912 7.171 -0.071 486 HB2 ALA 64 2HB ALA 64 7.849 7.702 -1.752 487 HB3 ALA 64 3HB ALA 64 9.229 8.134 -0.740 488 H GLN 65 H GLN 65 11.639 6.803 -1.448 489 HA GLN 65 HA GLN 65 11.660 7.673 -4.184 490 HB2 GLN 65 1HB GLN 65 13.906 7.347 -2.167 491 HB3 GLN 65 2HB GLN 65 14.091 8.090 -3.753 492 HG2 GLN 65 1HG GLN 65 12.096 9.143 -1.791 493 HG3 GLN 65 2HG GLN 65 13.798 9.575 -1.668 494 HE21 GLN 65 1HE2 GLN 65 12.269 9.049 -4.763 495 HE22 GLN 65 2HE2 GLN 65 12.273 10.700 -5.258 496 H LYS 66 H LYS 66 12.907 4.963 -2.342 497 HA LYS 66 HA LYS 66 14.366 3.661 -4.302 498 HB2 LYS 66 1HB LYS 66 12.722 2.420 -2.101 499 HB3 LYS 66 2HB LYS 66 14.105 1.699 -2.904 500 HG2 LYS 66 1HG LYS 66 15.508 3.536 -1.985 501 HG3 LYS 66 2HG LYS 66 14.092 4.077 -1.083 502 HD2 LYS 66 1HD LYS 66 13.995 1.793 -0.050 503 HD3 LYS 66 2HD LYS 66 15.555 1.460 -0.803 504 HE2 LYS 66 1HE LYS 66 14.937 3.620 1.210 505 HE3 LYS 66 2HE LYS 66 15.895 2.167 1.482 506 HZ1 LYS 66 3HZ LYS 66 16.595 4.389 -0.360 507 HZ2 LYS 66 1HZ LYS 66 17.512 2.988 -0.125 508 HZ3 LYS 66 2HZ LYS 66 17.307 4.086 1.143 509 H ASN 67 H ASN 67 10.957 3.597 -3.520 510 HA ASN 67 HA ASN 67 10.417 1.538 -5.497 511 HB2 ASN 67 1HB ASN 67 8.688 2.931 -3.455 512 HB3 ASN 67 2HB ASN 67 8.042 1.796 -4.638 513 HD21 ASN 67 1HD2 ASN 67 10.168 2.157 -1.886 514 HD22 ASN 67 2HD2 ASN 67 10.252 0.478 -1.481 515 H GLU 68 H GLU 68 10.987 4.657 -5.741 516 HA GLU 68 HA GLU 68 10.584 6.276 -7.269 517 HB2 GLU 68 1HB GLU 68 9.380 4.042 -8.905 518 HB3 GLU 68 2HB GLU 68 9.970 5.583 -9.512 519 HG2 GLU 68 1HG GLU 68 12.234 4.978 -8.739 520 HG3 GLU 68 2HG GLU 68 11.613 3.403 -8.247 521 H VAL 69 H VAL 69 8.829 6.438 -5.328 522 HA VAL 69 HA VAL 69 6.104 6.280 -6.221 523 HB VAL 69 HB VAL 69 7.371 7.527 -3.784 524 HG11 VAL 69 1HG1 VAL 69 4.434 7.250 -4.416 525 HG12 VAL 69 2HG1 VAL 69 5.335 8.763 -4.305 526 HG13 VAL 69 3HG1 VAL 69 5.112 7.761 -2.870 527 HG21 VAL 69 3HG2 VAL 69 7.448 5.104 -3.869 528 HG22 VAL 69 1HG2 VAL 69 5.714 5.040 -4.184 529 HG23 VAL 69 2HG2 VAL 69 6.308 5.635 -2.634 530 H SER 70 H SER 70 5.209 7.631 -7.584 531 HA SER 70 HA SER 70 6.160 10.409 -7.676 532 HB2 SER 70 1HB SER 70 5.199 10.342 -10.044 533 HB3 SER 70 2HB SER 70 6.658 9.394 -9.761 534 HG SER 70 HG SER 70 5.568 7.725 -10.393 535 H ALA 71 H ALA 71 3.227 8.565 -8.539 536 HA ALA 71 HA ALA 71 1.586 10.830 -7.710 537 HB1 ALA 71 1HB ALA 71 1.105 9.756 -9.864 538 HB2 ALA 71 2HB ALA 71 -0.261 9.649 -8.755 539 HB3 ALA 71 3HB ALA 71 0.767 8.242 -9.025 540 H MET 72 H MET 72 0.868 10.945 -5.716 541 HA MET 72 HA MET 72 0.799 8.523 -4.080 542 HB2 MET 72 1HB MET 72 0.351 10.548 -2.318 543 HB3 MET 72 2HB MET 72 1.936 9.906 -2.716 544 HG2 MET 72 1HG MET 72 1.898 12.345 -2.736 545 HG3 MET 72 2HG MET 72 2.299 11.679 -4.315 546 HE1 MET 72 3HE MET 72 -1.269 11.991 -2.623 547 HE2 MET 72 1HE MET 72 -1.798 13.549 -3.259 548 HE3 MET 72 2HE MET 72 -0.436 13.467 -2.138 549 HA PRO 73 HA PRO 73 0.008 7.857 -2.164 550 HB2 PRO 73 1HB PRO 73 -1.663 5.795 -1.634 551 HB3 PRO 73 2HB PRO 73 -1.705 7.311 -0.727 552 HG2 PRO 73 1HG PRO 73 -3.457 6.403 -2.979 553 HG3 PRO 73 2HG PRO 73 -3.908 7.208 -1.463 554 HD2 PRO 73 1HD PRO 73 -3.683 8.545 -3.806 555 HD3 PRO 73 2HD PRO 73 -3.312 9.290 -2.241 556 H THR 74 H THR 74 0.951 5.731 -2.447 557 HA THR 74 HA THR 74 0.560 4.663 -5.149 558 HB THR 74 HB THR 74 3.148 4.759 -3.585 559 HG1 THR 74 1HG THR 74 1.959 6.505 -5.388 560 HG21 THR 74 3HG2 THR 74 2.579 3.884 -6.420 561 HG22 THR 74 1HG2 THR 74 3.022 2.830 -5.076 562 HG23 THR 74 2HG2 THR 74 4.178 4.013 -5.688 563 H LEU 75 H LEU 75 -0.221 2.662 -5.121 564 HA LEU 75 HA LEU 75 -0.052 1.127 -2.637 565 HB2 LEU 75 1HB LEU 75 -2.014 1.335 -4.848 566 HB3 LEU 75 2HB LEU 75 -1.839 -0.215 -4.056 567 HG LEU 75 HG LEU 75 -3.699 1.100 -3.130 568 HD11 LEU 75 1HD1 LEU 75 -3.070 0.922 -0.756 569 HD12 LEU 75 2HD1 LEU 75 -1.395 0.664 -1.243 570 HD13 LEU 75 3HD1 LEU 75 -2.636 -0.504 -1.695 571 HD21 LEU 75 3HD2 LEU 75 -1.551 3.061 -2.336 572 HD22 LEU 75 1HD2 LEU 75 -3.225 3.101 -1.779 573 HD23 LEU 75 2HD2 LEU 75 -2.858 3.336 -3.486 574 H LEU 76 H LEU 76 1.589 -0.240 -2.659 575 HA LEU 76 HA LEU 76 1.942 -1.887 -5.074 576 HB2 LEU 76 1HB LEU 76 4.123 -1.232 -3.089 577 HB3 LEU 76 2HB LEU 76 4.301 -2.015 -4.645 578 HG LEU 76 HG LEU 76 3.586 0.884 -4.199 579 HD11 LEU 76 1HD1 LEU 76 6.099 -0.381 -5.284 580 HD12 LEU 76 2HD1 LEU 76 5.921 0.323 -3.678 581 HD13 LEU 76 3HD1 LEU 76 5.785 1.346 -5.107 582 HD21 LEU 76 3HD2 LEU 76 3.890 1.070 -6.640 583 HD22 LEU 76 1HD2 LEU 76 2.516 0.055 -6.196 584 HD23 LEU 76 2HD2 LEU 76 4.025 -0.686 -6.729 585 H LEU 77 H LEU 77 1.143 -3.849 -4.651 586 HA LEU 77 HA LEU 77 1.492 -4.848 -1.922 587 HB2 LEU 77 1HB LEU 77 0.104 -6.732 -3.495 588 HB3 LEU 77 2HB LEU 77 -0.499 -5.762 -2.171 589 HG LEU 77 HG LEU 77 -0.455 -4.828 -5.042 590 HD11 LEU 77 1HD1 LEU 77 -2.922 -5.310 -4.867 591 HD12 LEU 77 2HD1 LEU 77 -2.560 -6.216 -3.393 592 HD13 LEU 77 3HD1 LEU 77 -1.871 -6.723 -4.944 593 HD21 LEU 77 3HD2 LEU 77 -0.572 -3.124 -3.134 594 HD22 LEU 77 1HD2 LEU 77 -2.166 -3.796 -2.791 595 HD23 LEU 77 2HD2 LEU 77 -1.840 -3.059 -4.357 596 H PHE 78 H PHE 78 2.863 -6.357 -1.423 597 HA PHE 78 HA PHE 78 4.412 -7.536 -3.612 598 HB2 PHE 78 1HB PHE 78 5.166 -6.552 -0.895 599 HB3 PHE 78 2HB PHE 78 6.144 -7.787 -1.670 600 HD1 PHE 78 2HD PHE 78 4.832 -4.349 -2.066 601 HD2 PHE 78 1HD PHE 78 7.722 -7.212 -3.309 602 HE1 PHE 78 2HE PHE 78 6.035 -2.593 -3.302 603 HE2 PHE 78 1HE PHE 78 8.930 -5.463 -4.545 604 HZ PHE 78 HZ PHE 78 8.086 -3.151 -4.544 605 H LYS 79 H LYS 79 5.186 -9.670 -3.386 606 HA LYS 79 HA LYS 79 3.867 -11.274 -1.317 607 HB2 LYS 79 1HB LYS 79 2.514 -11.386 -3.300 608 HB3 LYS 79 2HB LYS 79 3.907 -11.759 -4.299 609 HG2 LYS 79 1HG LYS 79 2.703 -13.769 -4.001 610 HG3 LYS 79 2HG LYS 79 4.112 -13.887 -2.946 611 HD2 LYS 79 1HD LYS 79 2.785 -13.328 -1.021 612 HD3 LYS 79 2HD LYS 79 1.380 -12.991 -2.035 613 HE2 LYS 79 1HE LYS 79 2.724 -15.670 -1.711 614 HE3 LYS 79 2HE LYS 79 1.209 -15.182 -0.955 615 HZ1 LYS 79 3HZ LYS 79 1.697 -15.437 -3.875 616 HZ2 LYS 79 1HZ LYS 79 0.244 -14.932 -3.170 617 HZ3 LYS 79 2HZ LYS 79 0.805 -16.506 -2.920 618 H ASN 80 H ASN 80 5.402 -12.237 -0.230 619 HA ASN 80 HA ASN 80 7.461 -12.932 0.426 620 HB2 ASN 80 1HB ASN 80 8.260 -14.964 -0.692 621 HB3 ASN 80 2HB ASN 80 6.528 -15.007 -0.423 622 HD21 ASN 80 1HD2 ASN 80 5.156 -15.047 -2.159 623 HD22 ASN 80 2HD2 ASN 80 5.705 -15.304 -3.774 624 H GLY 81 H GLY 81 7.693 -10.542 -0.964 625 HA2 GLY 81 1HA GLY 81 9.447 -9.187 -1.577 626 HA3 GLY 81 2HA GLY 81 10.504 -10.584 -1.457 627 H LYS 82 H LYS 82 7.920 -11.252 -3.519 628 HA LYS 82 HA LYS 82 9.701 -10.839 -5.817 629 HB2 LYS 82 1HB LYS 82 8.963 -12.818 -6.641 630 HB3 LYS 82 2HB LYS 82 8.564 -13.117 -4.964 631 HG2 LYS 82 1HG LYS 82 6.276 -12.534 -5.327 632 HG3 LYS 82 2HG LYS 82 6.624 -12.025 -6.981 633 HD2 LYS 82 1HD LYS 82 7.333 -14.359 -7.479 634 HD3 LYS 82 2HD LYS 82 6.799 -14.818 -5.860 635 HE2 LYS 82 1HE LYS 82 5.084 -15.326 -7.507 636 HE3 LYS 82 2HE LYS 82 4.532 -14.071 -6.401 637 HZ1 LYS 82 3HZ LYS 82 5.025 -12.410 -8.069 638 HZ2 LYS 82 1HZ LYS 82 3.976 -13.572 -8.707 639 HZ3 LYS 82 2HZ LYS 82 5.612 -13.591 -9.124 640 H GLU 83 H GLU 83 7.108 -9.611 -4.278 641 HA GLU 83 HA GLU 83 5.681 -7.907 -4.740 642 HB2 GLU 83 1HB GLU 83 7.424 -7.148 -6.403 643 HB3 GLU 83 2HB GLU 83 6.568 -8.073 -7.624 644 HG2 GLU 83 1HG GLU 83 4.570 -6.669 -7.216 645 HG3 GLU 83 2HG GLU 83 5.530 -5.693 -6.103 646 H VAL 84 H VAL 84 3.596 -7.547 -6.106 647 HA VAL 84 HA VAL 84 2.743 -9.934 -7.509 648 HB VAL 84 HB VAL 84 2.076 -9.881 -4.974 649 HG11 VAL 84 1HG1 VAL 84 0.070 -8.077 -6.257 650 HG12 VAL 84 2HG1 VAL 84 0.970 -7.850 -4.759 651 HG13 VAL 84 3HG1 VAL 84 -0.333 -9.043 -4.839 652 HG21 VAL 84 3HG2 VAL 84 0.170 -10.672 -7.157 653 HG22 VAL 84 1HG2 VAL 84 0.144 -11.263 -5.494 654 HG23 VAL 84 2HG2 VAL 84 1.513 -11.635 -6.543 655 H ALA 85 H ALA 85 2.340 -6.559 -6.716 656 HA ALA 85 HA ALA 85 1.350 -5.998 -9.362 657 HB1 ALA 85 1HB ALA 85 -0.689 -6.622 -7.876 658 HB2 ALA 85 2HB ALA 85 -0.769 -5.191 -8.910 659 HB3 ALA 85 3HB ALA 85 -0.435 -5.018 -7.182 660 H LYS 86 H LYS 86 1.117 -3.687 -9.746 661 HA LYS 86 HA LYS 86 2.276 -1.973 -7.713 662 HB2 LYS 86 1HB LYS 86 4.185 -2.714 -9.056 663 HB3 LYS 86 2HB LYS 86 3.363 -2.234 -10.529 664 HG2 LYS 86 1HG LYS 86 3.809 -0.127 -8.503 665 HG3 LYS 86 2HG LYS 86 5.227 -0.743 -9.348 666 HD2 LYS 86 1HD LYS 86 4.139 -0.238 -11.495 667 HD3 LYS 86 2HD LYS 86 2.744 0.401 -10.627 668 HE2 LYS 86 1HE LYS 86 4.213 2.197 -11.371 669 HE3 LYS 86 2HE LYS 86 4.153 2.121 -9.612 670 HZ1 LYS 86 3HZ LYS 86 6.328 1.059 -11.335 671 HZ2 LYS 86 1HZ LYS 86 6.275 0.938 -9.651 672 HZ3 LYS 86 2HZ LYS 86 6.402 2.452 -10.383 673 H VAL 87 H VAL 87 0.673 -0.539 -7.430 674 HA VAL 87 HA VAL 87 -0.438 0.758 -9.843 675 HB VAL 87 HB VAL 87 -1.857 0.705 -7.176 676 HG11 VAL 87 1HG1 VAL 87 -3.817 1.237 -8.571 677 HG12 VAL 87 2HG1 VAL 87 -2.780 1.246 -9.998 678 HG13 VAL 87 3HG1 VAL 87 -2.533 2.440 -8.719 679 HG21 VAL 87 3HG2 VAL 87 -1.573 -1.634 -7.935 680 HG22 VAL 87 1HG2 VAL 87 -2.382 -1.217 -9.445 681 HG23 VAL 87 2HG2 VAL 87 -3.262 -1.115 -7.914 682 H VAL 88 H VAL 88 -0.631 2.986 -9.800 683 HA VAL 88 HA VAL 88 0.489 4.437 -7.565 684 HB VAL 88 HB VAL 88 2.498 3.671 -8.563 685 HG11 VAL 88 1HG1 VAL 88 3.034 3.891 -10.913 686 HG12 VAL 88 2HG1 VAL 88 1.479 4.667 -11.213 687 HG13 VAL 88 3HG1 VAL 88 1.534 2.975 -10.697 688 HG21 VAL 88 3HG2 VAL 88 2.040 6.491 -9.524 689 HG22 VAL 88 1HG2 VAL 88 3.604 5.723 -9.258 690 HG23 VAL 88 2HG2 VAL 88 2.525 6.023 -7.894 691 H GLY 89 H GLY 89 -1.578 5.446 -7.642 692 HA2 GLY 89 1HA GLY 89 -1.548 7.980 -8.675 693 HA3 GLY 89 2HA GLY 89 -2.333 7.023 -9.920 694 H ALA 90 H ALA 90 -2.511 6.996 -6.359 695 HA ALA 90 HA ALA 90 -4.276 7.036 -4.925 696 HB1 ALA 90 1HB ALA 90 -4.379 9.361 -5.710 697 HB2 ALA 90 2HB ALA 90 -5.980 8.732 -5.317 698 HB3 ALA 90 3HB ALA 90 -5.476 8.868 -7.001 699 H ASN 91 H ASN 91 -4.822 4.842 -5.147 700 HA ASN 91 HA ASN 91 -7.057 4.310 -6.981 701 HB2 ASN 91 1HB ASN 91 -6.196 1.967 -7.121 702 HB3 ASN 91 2HB ASN 91 -5.152 3.175 -7.859 703 HD21 ASN 91 1HD2 ASN 91 -4.781 0.434 -6.623 704 HD22 ASN 91 2HD2 ASN 91 -3.448 0.641 -5.548 705 HA PRO 92 HA PRO 92 -8.767 2.869 -2.983 706 HB2 PRO 92 1HB PRO 92 -11.221 4.162 -3.795 707 HB3 PRO 92 2HB PRO 92 -10.228 4.492 -2.377 708 HG2 PRO 92 1HG PRO 92 -10.544 6.196 -4.528 709 HG3 PRO 92 2HG PRO 92 -9.209 6.261 -3.371 710 HD2 PRO 92 1HD PRO 92 -9.270 5.190 -6.136 711 HD3 PRO 92 2HD PRO 92 -7.929 5.921 -5.238 712 H ALA 93 H ALA 93 -10.164 3.253 -6.234 713 HA ALA 93 HA ALA 93 -11.696 0.797 -5.956 714 HB1 ALA 93 1HB ALA 93 -12.689 2.752 -7.078 715 HB2 ALA 93 2HB ALA 93 -12.631 1.330 -8.119 716 HB3 ALA 93 3HB ALA 93 -11.461 2.630 -8.338 717 H ALA 94 H ALA 94 -8.916 2.012 -7.763 718 HA ALA 94 HA ALA 94 -8.594 -0.358 -9.329 719 HB1 ALA 94 1HB ALA 94 -6.692 1.926 -8.838 720 HB2 ALA 94 2HB ALA 94 -7.792 1.736 -10.197 721 HB3 ALA 94 3HB ALA 94 -6.434 0.630 -9.999 722 H ILE 95 H ILE 95 -7.666 0.505 -6.112 723 HA ILE 95 HA ILE 95 -5.569 -1.316 -5.762 724 HB ILE 95 HB ILE 95 -6.497 0.258 -3.966 725 HG12 ILE 95 1HG1 ILE 95 -5.650 -1.103 -2.180 726 HG13 ILE 95 2HG1 ILE 95 -6.071 -2.589 -3.027 727 HG21 ILE 95 1HG2 ILE 95 -8.361 -2.053 -3.477 728 HG22 ILE 95 2HG2 ILE 95 -8.833 -0.461 -4.080 729 HG23 ILE 95 3HG2 ILE 95 -8.175 -0.626 -2.452 730 HD11 ILE 95 3HD1 ILE 95 -4.005 -0.639 -4.005 731 HD12 ILE 95 1HD1 ILE 95 -4.324 -2.266 -4.603 732 HD13 ILE 95 2HD1 ILE 95 -3.646 -2.037 -2.991 733 H LYS 96 H LYS 96 -9.035 -1.695 -5.937 734 HA LYS 96 HA LYS 96 -9.266 -4.354 -5.182 735 HB2 LYS 96 1HB LYS 96 -10.860 -2.766 -7.184 736 HB3 LYS 96 2HB LYS 96 -11.274 -4.414 -6.736 737 HG2 LYS 96 1HG LYS 96 -11.100 -2.070 -4.866 738 HG3 LYS 96 2HG LYS 96 -12.583 -2.795 -5.484 739 HD2 LYS 96 1HD LYS 96 -10.520 -4.226 -3.798 740 HD3 LYS 96 2HD LYS 96 -12.032 -3.544 -3.190 741 HE2 LYS 96 1HE LYS 96 -13.263 -5.026 -4.767 742 HE3 LYS 96 2HE LYS 96 -11.725 -5.767 -5.203 743 HZ1 LYS 96 3HZ LYS 96 -12.874 -7.073 -3.548 744 HZ2 LYS 96 1HZ LYS 96 -12.940 -5.751 -2.496 745 HZ3 LYS 96 2HZ LYS 96 -11.450 -6.441 -2.893 746 H GLN 97 H GLN 97 -8.517 -2.993 -8.388 747 HA GLN 97 HA GLN 97 -8.216 -5.195 -9.934 748 HB2 GLN 97 1HB GLN 97 -7.624 -3.410 -11.159 749 HB3 GLN 97 2HB GLN 97 -7.098 -2.511 -9.764 750 HG2 GLN 97 1HG GLN 97 -5.265 -2.706 -11.288 751 HG3 GLN 97 2HG GLN 97 -4.920 -3.668 -9.856 752 HE21 GLN 97 1HE2 GLN 97 -3.434 -4.988 -10.840 753 HE22 GLN 97 2HE2 GLN 97 -3.876 -6.149 -12.051 754 H ALA 98 H ALA 98 -5.644 -3.848 -7.849 755 HA ALA 98 HA ALA 98 -4.009 -6.186 -8.272 756 HB1 ALA 98 1HB ALA 98 -2.981 -3.979 -8.034 757 HB2 ALA 98 2HB ALA 98 -2.405 -5.053 -6.755 758 HB3 ALA 98 3HB ALA 98 -3.636 -3.838 -6.405 759 H ILE 99 H ILE 99 -6.264 -5.176 -5.954 760 HA ILE 99 HA ILE 99 -5.191 -6.764 -3.828 761 HB ILE 99 HB ILE 99 -6.812 -4.527 -3.944 762 HG12 ILE 99 1HG1 ILE 99 -5.239 -4.867 -2.227 763 HG13 ILE 99 2HG1 ILE 99 -6.811 -4.843 -1.425 764 HG21 ILE 99 1HG2 ILE 99 -8.850 -4.941 -2.858 765 HG22 ILE 99 2HG2 ILE 99 -8.450 -6.641 -2.597 766 HG23 ILE 99 3HG2 ILE 99 -8.784 -6.056 -4.227 767 HD11 ILE 99 3HD1 ILE 99 -6.039 -6.721 -0.456 768 HD12 ILE 99 1HD1 ILE 99 -4.910 -7.056 -1.774 769 HD13 ILE 99 2HD1 ILE 99 -6.619 -7.457 -1.964 770 H ALA 100 H ALA 100 -7.916 -7.016 -6.021 771 HA ALA 100 HA ALA 100 -8.851 -9.371 -4.633 772 HB1 ALA 100 1HB ALA 100 -9.942 -8.038 -7.113 773 HB2 ALA 100 2HB ALA 100 -10.503 -7.778 -5.461 774 HB3 ALA 100 3HB ALA 100 -10.712 -9.353 -6.226 775 H ALA 101 H ALA 101 -7.256 -8.506 -7.656 776 HA ALA 101 HA ALA 101 -7.386 -11.091 -8.824 777 HB1 ALA 101 1HB ALA 101 -5.708 -10.287 -10.376 778 HB2 ALA 101 2HB ALA 101 -5.366 -8.907 -9.331 779 HB3 ALA 101 3HB ALA 101 -6.938 -9.050 -10.123 780 H ASN 102 H ASN 102 -5.062 -9.464 -6.722 781 HA ASN 102 HA ASN 102 -3.278 -11.776 -6.951 782 HB2 ASN 102 1HB ASN 102 -2.891 -9.089 -5.649 783 HB3 ASN 102 2HB ASN 102 -1.659 -10.349 -5.764 784 HD21 ASN 102 1HD2 ASN 102 -2.109 -7.579 -6.963 785 HD22 ASN 102 2HD2 ASN 102 -1.772 -7.804 -8.644 786 H ALA 103 H ALA 103 -4.414 -9.801 -4.177 787 HA ALA 103 HA ALA 103 -3.949 -11.863 -2.283 788 HB1 ALA 103 1HB ALA 103 -5.306 -10.526 -0.735 789 HB2 ALA 103 2HB ALA 103 -5.847 -9.521 -2.079 790 HB3 ALA 103 3HB ALA 103 -4.152 -9.516 -1.606 Start of MODEL 11 1 H1 MET 1 1H MET 1 -9.462 -3.511 9.358 2 H2 MET 1 2H MET 1 -7.997 -4.348 9.498 3 H3 MET 1 3H MET 1 -8.437 -3.665 8.016 4 HA MET 1 HA MET 1 -8.326 -1.458 8.979 5 HB2 MET 1 1HB MET 1 -7.370 -1.139 11.189 6 HB3 MET 1 2HB MET 1 -8.807 -2.140 11.303 7 HG2 MET 1 1HG MET 1 -7.324 -4.136 11.403 8 HG3 MET 1 2HG MET 1 -5.945 -3.045 11.462 9 HE1 MET 1 3HE MET 1 -6.590 -5.317 13.667 10 HE2 MET 1 1HE MET 1 -6.167 -4.426 15.130 11 HE3 MET 1 2HE MET 1 -5.167 -4.276 13.685 12 H VAL 2 H VAL 2 -6.559 -0.355 8.326 13 HA VAL 2 HA VAL 2 -4.249 -2.000 7.601 14 HB VAL 2 HB VAL 2 -4.606 -0.988 5.640 15 HG11 VAL 2 1HG1 VAL 2 -6.729 -0.114 6.296 16 HG12 VAL 2 2HG1 VAL 2 -5.869 1.051 5.290 17 HG13 VAL 2 3HG1 VAL 2 -5.960 1.289 7.038 18 HG21 VAL 2 3HG2 VAL 2 -3.314 1.306 7.099 19 HG22 VAL 2 1HG2 VAL 2 -3.500 1.220 5.352 20 HG23 VAL 2 2HG2 VAL 2 -2.512 0.030 6.186 21 H THR 3 H THR 3 -2.154 -1.438 8.055 22 HA THR 3 HA THR 3 -1.837 0.163 10.500 23 HB THR 3 HB THR 3 -0.862 -2.427 9.621 24 HG1 THR 3 1HG THR 3 -0.426 -1.394 12.192 25 HG21 THR 3 3HG2 THR 3 1.193 -1.098 9.157 26 HG22 THR 3 1HG2 THR 3 1.403 -2.306 10.439 27 HG23 THR 3 2HG2 THR 3 1.201 -0.604 10.858 28 H GLN 4 H GLN 4 -0.153 1.611 10.736 29 HA GLN 4 HA GLN 4 1.299 2.350 8.304 30 HB2 GLN 4 1HB GLN 4 2.033 4.296 9.923 31 HB3 GLN 4 2HB GLN 4 0.465 4.324 9.133 32 HG2 GLN 4 1HG GLN 4 0.016 4.932 11.332 33 HG3 GLN 4 2HG GLN 4 -0.443 3.235 11.241 34 HE21 GLN 4 1HE2 GLN 4 2.864 4.416 11.493 35 HE22 GLN 4 2HE2 GLN 4 3.156 3.778 13.072 36 H PHE 5 H PHE 5 3.418 1.964 8.072 37 HA PHE 5 HA PHE 5 4.897 0.658 10.204 38 HB2 PHE 5 1HB PHE 5 5.582 1.293 7.338 39 HB3 PHE 5 2HB PHE 5 6.779 0.687 8.469 40 HD1 PHE 5 1HD PHE 5 5.010 -1.282 9.935 41 HD2 PHE 5 2HD PHE 5 5.536 -0.444 5.796 42 HE1 PHE 5 1HE PHE 5 4.396 -3.598 9.392 43 HE2 PHE 5 2HE PHE 5 4.919 -2.761 5.238 44 HZ PHE 5 HZ PHE 5 4.347 -4.339 7.047 45 H LYS 6 H LYS 6 7.149 1.404 10.641 46 HA LYS 6 HA LYS 6 7.171 4.333 10.844 47 HB2 LYS 6 1HB LYS 6 8.404 4.033 12.974 48 HB3 LYS 6 2HB LYS 6 6.780 3.355 13.007 49 HG2 LYS 6 1HG LYS 6 7.798 1.125 12.524 50 HG3 LYS 6 2HG LYS 6 9.383 1.865 12.749 51 HD2 LYS 6 1HD LYS 6 8.776 2.491 15.029 52 HD3 LYS 6 2HD LYS 6 7.174 1.787 14.804 53 HE2 LYS 6 1HE LYS 6 8.496 0.209 16.009 54 HE3 LYS 6 2HE LYS 6 8.285 -0.409 14.373 55 HZ1 LYS 6 3HZ LYS 6 10.506 0.421 13.834 56 HZ2 LYS 6 1HZ LYS 6 10.553 -0.693 15.105 57 HZ3 LYS 6 2HZ LYS 6 10.702 0.963 15.421 58 H THR 7 H THR 7 8.975 1.527 9.900 59 HA THR 7 HA THR 7 11.180 3.294 9.157 60 HB THR 7 HB THR 7 12.795 1.463 9.626 61 HG1 THR 7 1HG THR 7 12.034 -0.120 11.176 62 HG21 THR 7 3HG2 THR 7 11.272 2.543 11.994 63 HG22 THR 7 1HG2 THR 7 12.592 3.348 11.150 64 HG23 THR 7 2HG2 THR 7 12.896 1.862 12.048 65 H ALA 8 H ALA 8 12.470 2.639 7.381 66 HA ALA 8 HA ALA 8 11.114 1.486 5.223 67 HB1 ALA 8 1HB ALA 8 13.312 1.375 4.133 68 HB2 ALA 8 2HB ALA 8 14.100 1.675 5.682 69 HB3 ALA 8 3HB ALA 8 13.086 2.920 4.953 70 H SER 9 H SER 9 13.209 0.176 7.691 71 HA SER 9 HA SER 9 13.534 -2.424 6.717 72 HB2 SER 9 1HB SER 9 13.337 -1.619 9.623 73 HB3 SER 9 2HB SER 9 14.225 -2.985 8.946 74 HG SER 9 HG SER 9 15.173 -0.941 7.678 75 H GLU 10 H GLU 10 10.907 -0.915 8.570 76 HA GLU 10 HA GLU 10 9.501 -3.288 9.203 77 HB2 GLU 10 1HB GLU 10 8.550 -0.465 8.728 78 HB3 GLU 10 2HB GLU 10 7.468 -1.759 9.220 79 HG2 GLU 10 1HG GLU 10 9.871 -0.829 10.767 80 HG3 GLU 10 2HG GLU 10 8.205 -0.354 11.089 81 H PHE 11 H PHE 11 9.217 -1.077 6.469 82 HA PHE 11 HA PHE 11 7.173 -2.458 5.121 83 HB2 PHE 11 1HB PHE 11 7.321 -0.371 4.289 84 HB3 PHE 11 2HB PHE 11 9.054 -0.260 4.553 85 HD1 PHE 11 2HD PHE 11 6.420 -1.231 2.203 86 HD2 PHE 11 1HD PHE 11 10.613 -0.892 2.828 87 HE1 PHE 11 2HE PHE 11 6.791 -1.480 -0.213 88 HE2 PHE 11 1HE PHE 11 10.994 -1.133 0.408 89 HZ PHE 11 HZ PHE 11 9.082 -1.430 -1.115 90 H ASP 12 H ASP 12 10.691 -2.561 4.736 91 HA ASP 12 HA ASP 12 10.747 -4.229 2.492 92 HB2 ASP 12 1HB ASP 12 12.707 -2.979 3.196 93 HB3 ASP 12 2HB ASP 12 12.809 -3.922 4.679 94 H SER 13 H SER 13 10.853 -5.051 5.937 95 HA SER 13 HA SER 13 11.296 -7.814 5.525 96 HB2 SER 13 1HB SER 13 11.813 -6.669 7.651 97 HB3 SER 13 2HB SER 13 10.092 -6.405 7.922 98 HG SER 13 HG SER 13 11.564 -8.804 7.991 99 H ALA 14 H ALA 14 8.385 -5.865 5.843 100 HA ALA 14 HA ALA 14 6.582 -8.041 6.069 101 HB1 ALA 14 1HB ALA 14 4.849 -6.385 5.435 102 HB2 ALA 14 2HB ALA 14 6.131 -5.211 5.138 103 HB3 ALA 14 3HB ALA 14 5.879 -5.850 6.762 104 H ILE 15 H ILE 15 7.617 -6.054 3.305 105 HA ILE 15 HA ILE 15 5.913 -7.358 1.463 106 HB ILE 15 HB ILE 15 7.251 -6.304 -0.297 107 HG12 ILE 15 1HG1 ILE 15 8.978 -5.141 1.876 108 HG13 ILE 15 2HG1 ILE 15 9.434 -6.596 1.003 109 HG21 ILE 15 1HG2 ILE 15 6.643 -4.483 2.028 110 HG22 ILE 15 2HG2 ILE 15 5.496 -5.027 0.804 111 HG23 ILE 15 3HG2 ILE 15 6.837 -3.976 0.350 112 HD11 ILE 15 3HD1 ILE 15 8.941 -3.885 -0.201 113 HD12 ILE 15 1HD1 ILE 15 9.382 -5.341 -1.093 114 HD13 ILE 15 2HD1 ILE 15 10.511 -4.641 0.067 115 H ALA 16 H ALA 16 8.931 -8.223 2.865 116 HA ALA 16 HA ALA 16 9.724 -10.023 0.750 117 HB1 ALA 16 1HB ALA 16 11.379 -8.894 2.194 118 HB2 ALA 16 2HB ALA 16 11.540 -10.652 2.209 119 HB3 ALA 16 3HB ALA 16 10.774 -9.826 3.565 120 H GLN 17 H GLN 17 7.436 -10.157 3.155 121 HA GLN 17 HA GLN 17 7.750 -12.879 3.932 122 HB2 GLN 17 1HB GLN 17 5.338 -11.065 4.105 123 HB3 GLN 17 2HB GLN 17 5.455 -12.652 4.852 124 HG2 GLN 17 1HG GLN 17 7.359 -11.855 6.181 125 HG3 GLN 17 2HG GLN 17 7.152 -10.251 5.479 126 HE21 GLN 17 1HE2 GLN 17 7.018 -11.002 8.247 127 HE22 GLN 17 2HE2 GLN 17 5.436 -10.586 8.804 128 H ASP 18 H ASP 18 6.475 -14.644 3.321 129 HA ASP 18 HA ASP 18 5.757 -14.644 0.517 130 HB2 ASP 18 1HB ASP 18 5.820 -16.766 2.627 131 HB3 ASP 18 2HB ASP 18 5.254 -17.085 0.996 132 H LYS 19 H LYS 19 4.162 -12.957 1.578 133 HA LYS 19 HA LYS 19 1.520 -14.122 1.312 134 HB2 LYS 19 1HB LYS 19 0.673 -13.497 3.358 135 HB3 LYS 19 2HB LYS 19 2.253 -14.115 3.785 136 HG2 LYS 19 1HG LYS 19 3.106 -12.020 4.257 137 HG3 LYS 19 2HG LYS 19 1.883 -11.193 3.285 138 HD2 LYS 19 1HD LYS 19 1.341 -12.670 5.859 139 HD3 LYS 19 2HD LYS 19 1.518 -10.918 5.714 140 HE2 LYS 19 1HE LYS 19 -0.428 -10.730 4.394 141 HE3 LYS 19 2HE LYS 19 -0.504 -12.469 4.113 142 HZ1 LYS 19 3HZ LYS 19 -2.140 -11.917 5.717 143 HZ2 LYS 19 1HZ LYS 19 -1.041 -11.022 6.651 144 HZ3 LYS 19 2HZ LYS 19 -0.897 -12.707 6.547 145 H LEU 20 H LEU 20 -0.131 -12.257 1.407 146 HA LEU 20 HA LEU 20 0.716 -10.234 -0.427 147 HB2 LEU 20 1HB LEU 20 -1.607 -11.396 -0.140 148 HB3 LEU 20 2HB LEU 20 -1.868 -10.192 1.097 149 HG LEU 20 HG LEU 20 -2.902 -9.516 -0.992 150 HD11 LEU 20 1HD1 LEU 20 -1.969 -7.299 -1.228 151 HD12 LEU 20 2HD1 LEU 20 -0.514 -7.806 -0.369 152 HD13 LEU 20 3HD1 LEU 20 -2.066 -7.767 0.468 153 HD21 LEU 20 3HD2 LEU 20 -0.134 -9.542 -2.175 154 HD22 LEU 20 1HD2 LEU 20 -1.616 -9.035 -2.985 155 HD23 LEU 20 2HD2 LEU 20 -1.397 -10.724 -2.520 156 H VAL 21 H VAL 21 2.002 -8.627 0.324 157 HA VAL 21 HA VAL 21 0.894 -7.074 2.568 158 HB VAL 21 HB VAL 21 3.807 -7.382 1.808 159 HG11 VAL 21 1HG1 VAL 21 3.286 -5.007 2.206 160 HG12 VAL 21 2HG1 VAL 21 4.298 -5.674 3.495 161 HG13 VAL 21 3HG1 VAL 21 2.571 -5.437 3.761 162 HG21 VAL 21 3HG2 VAL 21 2.285 -7.902 4.365 163 HG22 VAL 21 1HG2 VAL 21 4.029 -8.070 4.163 164 HG23 VAL 21 2HG2 VAL 21 2.931 -9.122 3.269 165 H VAL 22 H VAL 22 -0.214 -5.486 1.636 166 HA VAL 22 HA VAL 22 1.117 -4.019 -0.510 167 HB VAL 22 HB VAL 22 -0.907 -4.461 -1.420 168 HG11 VAL 22 1HG1 VAL 22 -2.266 -4.047 1.224 169 HG12 VAL 22 2HG1 VAL 22 -1.777 -5.610 0.562 170 HG13 VAL 22 3HG1 VAL 22 -2.997 -4.645 -0.268 171 HG21 VAL 22 3HG2 VAL 22 -1.412 -1.916 0.107 172 HG22 VAL 22 1HG2 VAL 22 -2.341 -2.465 -1.287 173 HG23 VAL 22 2HG2 VAL 22 -0.632 -2.064 -1.469 174 H VAL 23 H VAL 23 2.220 -2.380 0.088 175 HA VAL 23 HA VAL 23 1.374 -0.740 2.372 176 HB VAL 23 HB VAL 23 3.988 -0.801 0.849 177 HG11 VAL 23 1HG1 VAL 23 3.547 1.402 1.780 178 HG12 VAL 23 2HG1 VAL 23 4.852 0.601 2.656 179 HG13 VAL 23 3HG1 VAL 23 3.236 0.682 3.359 180 HG21 VAL 23 3HG2 VAL 23 4.841 -1.772 3.005 181 HG22 VAL 23 1HG2 VAL 23 3.753 -2.819 2.094 182 HG23 VAL 23 2HG2 VAL 23 3.163 -1.949 3.507 183 H ALA 24 H ALA 24 0.820 1.418 2.131 184 HA ALA 24 HA ALA 24 0.985 2.586 -0.568 185 HB1 ALA 24 1HB ALA 24 -1.352 1.911 0.377 186 HB2 ALA 24 2HB ALA 24 -1.138 3.430 -0.487 187 HB3 ALA 24 3HB ALA 24 -1.184 3.422 1.274 188 H PHE 25 H PHE 25 1.652 4.589 -0.828 189 HA PHE 25 HA PHE 25 2.891 5.802 1.499 190 HB2 PHE 25 1HB PHE 25 3.082 6.361 -1.450 191 HB3 PHE 25 2HB PHE 25 3.951 7.288 -0.222 192 HD1 PHE 25 1HD PHE 25 5.350 5.807 1.465 193 HD2 PHE 25 2HD PHE 25 4.124 4.569 -2.412 194 HE1 PHE 25 1HE PHE 25 7.130 4.110 1.440 195 HE2 PHE 25 2HE PHE 25 5.903 2.873 -2.444 196 HZ PHE 25 HZ PHE 25 7.400 2.639 -0.518 197 H TYR 26 H TYR 26 2.182 7.491 2.516 198 HA TYR 26 HA TYR 26 -0.092 9.042 1.442 199 HB2 TYR 26 1HB TYR 26 0.451 7.794 4.079 200 HB3 TYR 26 2HB TYR 26 -0.262 9.399 4.117 201 HD1 TYR 26 1HD TYR 26 -0.836 6.406 1.950 202 HD2 TYR 26 2HD TYR 26 -2.452 9.263 4.650 203 HE1 TYR 26 1HE TYR 26 -3.064 5.416 1.661 204 HE2 TYR 26 2HE TYR 26 -4.681 8.284 4.369 205 HH TYR 26 HH TYR 26 -5.872 6.953 2.629 206 H ALA 27 H ALA 27 -0.278 11.044 3.106 207 HA ALA 27 HA ALA 27 2.175 12.053 4.129 208 HB1 ALA 27 1HB ALA 27 2.523 12.614 1.774 209 HB2 ALA 27 2HB ALA 27 2.305 14.069 2.746 210 HB3 ALA 27 3HB ALA 27 0.982 13.472 1.744 211 H THR 28 H THR 28 1.778 14.329 5.027 212 HA THR 28 HA THR 28 -0.613 14.351 6.524 213 HB THR 28 HB THR 28 0.983 16.808 6.146 214 HG1 THR 28 1HG THR 28 1.854 14.428 7.453 215 HG21 THR 28 3HG2 THR 28 -0.882 16.777 7.744 216 HG22 THR 28 1HG2 THR 28 0.663 17.010 8.561 217 HG23 THR 28 2HG2 THR 28 -0.121 15.431 8.589 218 H TRP 29 H TRP 29 0.378 15.787 3.547 219 HA TRP 29 HA TRP 29 -2.004 17.428 3.300 220 HB2 TRP 29 1HB TRP 29 -0.882 18.152 1.163 221 HB3 TRP 29 2HB TRP 29 0.010 18.504 2.636 222 HD1 TRP 29 HD TRP 29 0.025 16.114 -0.334 223 HE1 TRP 29 1HE TRP 29 2.420 15.191 -0.665 224 HE3 TRP 29 3HE TRP 29 2.208 18.098 3.821 225 HZ2 TRP 29 2HZ TRP 29 4.895 15.295 0.688 226 HZ3 TRP 29 3HZ TRP 29 4.592 17.641 4.237 227 HH2 TRP 29 HH TRP 29 5.905 16.271 2.704 228 H CYS 30 H CYS 30 -1.712 16.987 0.293 229 HA CYS 30 HA CYS 30 -2.652 15.857 -1.375 230 HB2 CYS 30 1HB CYS 30 -2.350 13.393 -1.454 231 HB3 CYS 30 2HB CYS 30 -0.881 14.307 -1.150 232 H GLY 31 H GLY 31 -4.642 16.087 -1.757 233 HA2 GLY 31 1HA GLY 31 -6.801 15.489 -0.088 234 HA3 GLY 31 2HA GLY 31 -6.897 15.771 -1.815 235 HA PRO 32 HA PRO 32 -7.489 11.490 -2.817 236 HB2 PRO 32 1HB PRO 32 -4.680 10.632 -3.178 237 HB3 PRO 32 2HB PRO 32 -6.036 10.533 -4.305 238 HG2 PRO 32 1HG PRO 32 -4.100 12.312 -4.673 239 HG3 PRO 32 2HG PRO 32 -5.793 12.734 -4.991 240 HD2 PRO 32 1HD PRO 32 -4.087 13.410 -2.619 241 HD3 PRO 32 2HD PRO 32 -5.233 14.436 -3.495 242 H CYS 33 H CYS 33 -4.541 11.674 -0.870 243 HA CYS 33 HA CYS 33 -4.602 9.214 0.393 244 HB2 CYS 33 1HB CYS 33 -3.852 11.816 1.733 245 HB3 CYS 33 2HB CYS 33 -3.247 10.207 2.112 246 H LYS 34 H LYS 34 -6.320 12.179 1.232 247 HA LYS 34 HA LYS 34 -7.403 11.262 3.656 248 HB2 LYS 34 1HB LYS 34 -8.652 13.273 1.783 249 HB3 LYS 34 2HB LYS 34 -8.911 13.133 3.515 250 HG2 LYS 34 1HG LYS 34 -6.324 13.905 2.184 251 HG3 LYS 34 2HG LYS 34 -7.460 15.008 2.957 252 HD2 LYS 34 1HD LYS 34 -7.089 13.899 5.102 253 HD3 LYS 34 2HD LYS 34 -5.969 12.772 4.331 254 HE2 LYS 34 1HE LYS 34 -4.512 14.641 3.717 255 HE3 LYS 34 2HE LYS 34 -5.632 15.767 4.483 256 HZ1 LYS 34 3HZ LYS 34 -4.203 13.588 5.896 257 HZ2 LYS 34 1HZ LYS 34 -5.188 14.762 6.600 258 HZ3 LYS 34 2HZ LYS 34 -3.720 15.204 5.889 259 H MET 35 H MET 35 -8.891 11.417 0.400 260 HA MET 35 HA MET 35 -11.352 10.350 1.262 261 HB2 MET 35 1HB MET 35 -11.910 10.082 -1.095 262 HB3 MET 35 2HB MET 35 -11.224 11.661 -0.764 263 HG2 MET 35 1HG MET 35 -9.075 10.884 -1.659 264 HG3 MET 35 2HG MET 35 -9.814 9.325 -2.016 265 HE1 MET 35 3HE MET 35 -8.358 10.704 -4.365 266 HE2 MET 35 1HE MET 35 -9.568 10.603 -5.641 267 HE3 MET 35 2HE MET 35 -9.336 9.248 -4.538 268 H ILE 36 H ILE 36 -8.623 8.707 -0.385 269 HA ILE 36 HA ILE 36 -10.064 6.238 -0.283 270 HB ILE 36 HB ILE 36 -8.612 5.438 -1.720 271 HG12 ILE 36 1HG1 ILE 36 -7.214 4.882 0.342 272 HG13 ILE 36 2HG1 ILE 36 -6.438 4.812 -1.222 273 HG21 ILE 36 1HG2 ILE 36 -7.180 8.067 -1.497 274 HG22 ILE 36 2HG2 ILE 36 -8.525 7.679 -2.570 275 HG23 ILE 36 3HG2 ILE 36 -6.965 6.887 -2.791 276 HD11 ILE 36 3HD1 ILE 36 -5.073 5.795 0.603 277 HD12 ILE 36 1HD1 ILE 36 -6.225 7.136 0.674 278 HD13 ILE 36 2HD1 ILE 36 -5.283 6.865 -0.798 279 H ALA 37 H ALA 37 -8.361 8.021 2.005 280 HA ALA 37 HA ALA 37 -7.142 6.012 3.500 281 HB1 ALA 37 1HB ALA 37 -6.769 8.407 3.855 282 HB2 ALA 37 2HB ALA 37 -7.130 7.538 5.356 283 HB3 ALA 37 3HB ALA 37 -8.372 8.532 4.593 284 HA PRO 38 HA PRO 38 -11.253 5.227 5.864 285 HB2 PRO 38 1HB PRO 38 -13.535 6.179 4.676 286 HB3 PRO 38 2HB PRO 38 -12.719 6.967 6.031 287 HG2 PRO 38 1HG PRO 38 -12.561 7.576 3.110 288 HG3 PRO 38 2HG PRO 38 -12.660 8.693 4.486 289 HD2 PRO 38 1HD PRO 38 -10.336 8.201 3.244 290 HD3 PRO 38 2HD PRO 38 -10.418 8.462 4.997 291 H MET 39 H MET 39 -11.344 5.648 2.317 292 HA MET 39 HA MET 39 -13.005 3.402 1.848 293 HB2 MET 39 1HB MET 39 -10.968 4.658 0.013 294 HB3 MET 39 2HB MET 39 -12.167 3.475 -0.480 295 HG2 MET 39 1HG MET 39 -13.953 5.018 0.143 296 HG3 MET 39 2HG MET 39 -12.750 6.210 0.635 297 HE1 MET 39 3HE MET 39 -14.249 7.734 -2.662 298 HE2 MET 39 1HE MET 39 -13.877 8.042 -0.968 299 HE3 MET 39 2HE MET 39 -15.093 6.841 -1.397 300 H ILE 40 H ILE 40 -9.421 3.561 1.300 301 HA ILE 40 HA ILE 40 -9.157 0.808 1.052 302 HB ILE 40 HB ILE 40 -7.240 3.018 1.703 303 HG12 ILE 40 1HG1 ILE 40 -7.451 0.915 -0.468 304 HG13 ILE 40 2HG1 ILE 40 -8.084 2.552 -0.579 305 HG21 ILE 40 1HG2 ILE 40 -6.637 0.081 1.901 306 HG22 ILE 40 2HG2 ILE 40 -6.342 1.340 3.104 307 HG23 ILE 40 3HG2 ILE 40 -5.410 1.309 1.605 308 HD11 ILE 40 3HD1 ILE 40 -5.232 1.666 -0.485 309 HD12 ILE 40 1HD1 ILE 40 -5.735 3.338 -0.227 310 HD13 ILE 40 2HD1 ILE 40 -6.089 2.539 -1.761 311 H GLU 41 H GLU 41 -9.506 2.715 3.952 312 HA GLU 41 HA GLU 41 -8.677 0.778 5.814 313 HB2 GLU 41 1HB GLU 41 -9.306 3.151 6.339 314 HB3 GLU 41 2HB GLU 41 -10.987 2.690 6.113 315 HG2 GLU 41 1HG GLU 41 -10.480 2.710 8.457 316 HG3 GLU 41 2HG GLU 41 -10.752 1.049 7.937 317 H LYS 42 H LYS 42 -11.750 1.295 4.121 318 HA LYS 42 HA LYS 42 -13.122 -0.838 5.385 319 HB2 LYS 42 1HB LYS 42 -14.524 0.752 4.391 320 HB3 LYS 42 2HB LYS 42 -13.583 0.791 2.908 321 HG2 LYS 42 1HG LYS 42 -15.765 -0.263 2.589 322 HG3 LYS 42 2HG LYS 42 -14.441 -1.382 2.267 323 HD2 LYS 42 1HD LYS 42 -14.753 -2.460 4.376 324 HD3 LYS 42 2HD LYS 42 -15.951 -1.258 4.874 325 HE2 LYS 42 1HE LYS 42 -16.250 -3.134 2.531 326 HE3 LYS 42 2HE LYS 42 -16.950 -3.404 4.124 327 HZ1 LYS 42 3HZ LYS 42 -18.567 -2.451 2.633 328 HZ2 LYS 42 1HZ LYS 42 -17.561 -1.131 2.314 329 HZ3 LYS 42 2HZ LYS 42 -18.209 -1.347 3.861 330 H PHE 43 H PHE 43 -11.396 -0.608 2.310 331 HA PHE 43 HA PHE 43 -11.869 -3.278 1.568 332 HB2 PHE 43 1HB PHE 43 -9.679 -1.379 0.736 333 HB3 PHE 43 2HB PHE 43 -9.900 -2.985 0.051 334 HD1 PHE 43 2HD PHE 43 -11.542 0.285 0.505 335 HD2 PHE 43 1HD PHE 43 -11.445 -3.371 -1.682 336 HE1 PHE 43 2HE PHE 43 -13.168 1.208 -1.090 337 HE2 PHE 43 1HE PHE 43 -13.087 -2.445 -3.272 338 HZ PHE 43 HZ PHE 43 -13.942 -0.160 -2.983 339 H SER 44 H SER 44 -9.725 -1.832 3.800 340 HA SER 44 HA SER 44 -7.970 -4.142 3.897 341 HB2 SER 44 1HB SER 44 -6.915 -1.992 4.187 342 HB3 SER 44 2HB SER 44 -8.006 -1.575 5.511 343 HG SER 44 HG SER 44 -5.859 -2.390 6.105 344 H GLU 45 H GLU 45 -10.860 -3.070 5.210 345 HA GLU 45 HA GLU 45 -10.746 -4.765 7.559 346 HB2 GLU 45 1HB GLU 45 -12.120 -2.556 7.187 347 HB3 GLU 45 2HB GLU 45 -13.284 -3.638 6.439 348 HG2 GLU 45 1HG GLU 45 -13.789 -3.209 8.792 349 HG3 GLU 45 2HG GLU 45 -13.462 -4.914 8.480 350 H GLN 46 H GLN 46 -11.562 -4.883 4.247 351 HA GLN 46 HA GLN 46 -12.619 -7.585 4.548 352 HB2 GLN 46 1HB GLN 46 -13.309 -7.395 2.187 353 HB3 GLN 46 2HB GLN 46 -14.066 -6.210 3.235 354 HG2 GLN 46 1HG GLN 46 -12.456 -4.535 2.487 355 HG3 GLN 46 2HG GLN 46 -11.773 -5.722 1.366 356 HE21 GLN 46 1HE2 GLN 46 -13.041 -6.442 -0.380 357 HE22 GLN 46 2HE2 GLN 46 -14.396 -5.530 -0.949 358 H TYR 47 H TYR 47 -9.844 -6.548 4.758 359 HA TYR 47 HA TYR 47 -8.499 -8.422 2.943 360 HB2 TYR 47 1HB TYR 47 -7.633 -6.239 4.763 361 HB3 TYR 47 2HB TYR 47 -6.551 -7.618 4.655 362 HD1 TYR 47 1HD TYR 47 -8.593 -5.843 2.093 363 HD2 TYR 47 2HD TYR 47 -4.723 -7.010 3.397 364 HE1 TYR 47 1HE TYR 47 -7.621 -4.912 0.039 365 HE2 TYR 47 2HE TYR 47 -3.744 -6.093 1.346 366 HH TYR 47 HH TYR 47 -5.456 -4.061 -0.754 367 HA PRO 48 HA PRO 48 -9.336 -11.089 6.574 368 HB2 PRO 48 1HB PRO 48 -9.526 -13.338 4.784 369 HB3 PRO 48 2HB PRO 48 -10.810 -12.565 5.712 370 HG2 PRO 48 1HG PRO 48 -10.627 -12.491 2.973 371 HG3 PRO 48 2HG PRO 48 -11.477 -11.280 3.948 372 HD2 PRO 48 1HD PRO 48 -8.752 -11.153 2.718 373 HD3 PRO 48 2HD PRO 48 -9.985 -9.881 2.871 374 H GLN 49 H GLN 49 -7.376 -12.161 3.792 375 HA GLN 49 HA GLN 49 -5.558 -13.442 5.685 376 HB2 GLN 49 1HB GLN 49 -4.769 -14.668 3.592 377 HB3 GLN 49 2HB GLN 49 -6.271 -15.134 4.353 378 HG2 GLN 49 1HG GLN 49 -6.411 -15.106 1.908 379 HG3 GLN 49 2HG GLN 49 -7.552 -14.017 2.686 380 HE21 GLN 49 1HE2 GLN 49 -4.548 -14.199 0.912 381 HE22 GLN 49 2HE2 GLN 49 -4.594 -12.584 0.306 382 H ALA 50 H ALA 50 -5.776 -10.761 3.743 383 HA ALA 50 HA ALA 50 -2.917 -10.697 3.142 384 HB1 ALA 50 1HB ALA 50 -3.502 -8.883 1.578 385 HB2 ALA 50 2HB ALA 50 -5.199 -9.064 2.029 386 HB3 ALA 50 3HB ALA 50 -4.356 -10.384 1.216 387 H ASP 51 H ASP 51 -1.727 -8.867 3.679 388 HA ASP 51 HA ASP 51 -2.798 -7.418 5.994 389 HB2 ASP 51 1HB ASP 51 -0.151 -8.497 5.316 390 HB3 ASP 51 2HB ASP 51 -0.115 -6.874 6.002 391 H PHE 52 H PHE 52 -3.164 -5.320 5.893 392 HA PHE 52 HA PHE 52 -2.267 -3.916 3.474 393 HB2 PHE 52 1HB PHE 52 -4.813 -4.273 4.306 394 HB3 PHE 52 2HB PHE 52 -4.443 -2.747 5.109 395 HD1 PHE 52 2HD PHE 52 -2.490 -1.830 2.840 396 HD2 PHE 52 1HD PHE 52 -6.455 -3.340 2.909 397 HE1 PHE 52 2HE PHE 52 -2.978 -0.645 0.741 398 HE2 PHE 52 1HE PHE 52 -6.959 -2.157 0.847 399 HZ PHE 52 HZ PHE 52 -5.218 -0.810 -0.270 400 H TYR 53 H TYR 53 -0.829 -2.315 3.744 401 HA TYR 53 HA TYR 53 -0.815 -0.895 6.320 402 HB2 TYR 53 1HB TYR 53 1.704 -1.508 4.777 403 HB3 TYR 53 2HB TYR 53 1.559 -0.849 6.410 404 HD1 TYR 53 1HD TYR 53 0.224 -2.438 8.073 405 HD2 TYR 53 2HD TYR 53 2.297 -3.733 4.607 406 HE1 TYR 53 1HE TYR 53 0.454 -4.673 9.062 407 HE2 TYR 53 2HE TYR 53 2.530 -5.983 5.584 408 HH TYR 53 HH TYR 53 0.768 -7.056 8.172 409 H LYS 54 H LYS 54 -0.475 1.305 6.198 410 HA LYS 54 HA LYS 54 0.155 2.411 3.549 411 HB2 LYS 54 1HB LYS 54 -2.099 3.353 5.331 412 HB3 LYS 54 2HB LYS 54 -1.499 4.269 3.957 413 HG2 LYS 54 1HG LYS 54 -2.168 2.486 2.446 414 HG3 LYS 54 2HG LYS 54 -2.689 1.499 3.795 415 HD2 LYS 54 1HD LYS 54 -3.986 3.978 2.646 416 HD3 LYS 54 2HD LYS 54 -4.672 2.391 2.975 417 HE2 LYS 54 1HE LYS 54 -4.613 2.754 5.342 418 HE3 LYS 54 2HE LYS 54 -3.760 4.282 5.132 419 HZ1 LYS 54 3HZ LYS 54 -6.056 4.702 5.544 420 HZ2 LYS 54 1HZ LYS 54 -6.535 3.674 4.289 421 HZ3 LYS 54 2HZ LYS 54 -5.716 5.112 3.937 422 H LEU 55 H LEU 55 1.857 3.728 3.637 423 HA LEU 55 HA LEU 55 2.831 4.461 6.320 424 HB2 LEU 55 1HB LEU 55 4.345 4.646 3.745 425 HB3 LEU 55 2HB LEU 55 4.979 4.707 5.374 426 HG LEU 55 HG LEU 55 4.037 2.363 3.821 427 HD11 LEU 55 1HD1 LEU 55 6.411 3.059 3.961 428 HD12 LEU 55 2HD1 LEU 55 6.096 1.428 4.551 429 HD13 LEU 55 3HD1 LEU 55 6.333 2.750 5.696 430 HD21 LEU 55 3HD2 LEU 55 2.718 2.224 5.837 431 HD22 LEU 55 1HD2 LEU 55 4.155 2.518 6.814 432 HD23 LEU 55 2HD2 LEU 55 4.014 1.028 5.883 433 H ASP 56 H ASP 56 3.940 6.536 6.581 434 HA ASP 56 HA ASP 56 2.651 8.684 5.050 435 HB2 ASP 56 1HB ASP 56 3.754 10.064 7.006 436 HB3 ASP 56 2HB ASP 56 2.236 9.211 7.255 437 H VAL 57 H VAL 57 3.779 9.461 3.444 438 HA VAL 57 HA VAL 57 6.422 8.658 2.926 439 HB VAL 57 HB VAL 57 4.329 9.576 1.452 440 HG11 VAL 57 1HG1 VAL 57 4.987 11.577 0.256 441 HG12 VAL 57 2HG1 VAL 57 6.425 11.733 1.265 442 HG13 VAL 57 3HG1 VAL 57 4.824 11.925 1.979 443 HG21 VAL 57 3HG2 VAL 57 7.208 9.307 0.657 444 HG22 VAL 57 1HG2 VAL 57 5.853 9.380 -0.472 445 HG23 VAL 57 2HG2 VAL 57 5.971 8.048 0.677 446 H ASP 58 H ASP 58 5.252 11.273 4.783 447 HA ASP 58 HA ASP 58 7.285 13.164 4.140 448 HB2 ASP 58 1HB ASP 58 6.447 14.482 5.945 449 HB3 ASP 58 2HB ASP 58 5.063 13.725 5.166 450 H GLU 59 H GLU 59 7.001 10.508 6.360 451 HA GLU 59 HA GLU 59 9.769 11.008 7.216 452 HB2 GLU 59 1HB GLU 59 7.659 9.181 8.366 453 HB3 GLU 59 2HB GLU 59 9.337 9.189 8.895 454 HG2 GLU 59 1HG GLU 59 9.060 11.612 9.447 455 HG3 GLU 59 2HG GLU 59 7.339 11.421 9.116 456 H LEU 60 H LEU 60 7.644 8.618 5.718 457 HA LEU 60 HA LEU 60 9.883 6.848 5.179 458 HB2 LEU 60 1HB LEU 60 6.924 6.657 4.681 459 HB3 LEU 60 2HB LEU 60 8.038 5.562 3.897 460 HG LEU 60 HG LEU 60 7.248 4.400 5.768 461 HD11 LEU 60 1HD1 LEU 60 9.874 5.577 6.633 462 HD12 LEU 60 2HD1 LEU 60 9.665 4.233 5.508 463 HD13 LEU 60 3HD1 LEU 60 9.167 4.060 7.192 464 HD21 LEU 60 3HD2 LEU 60 6.204 6.251 6.942 465 HD22 LEU 60 1HD2 LEU 60 7.788 6.852 7.434 466 HD23 LEU 60 2HD2 LEU 60 7.204 5.303 8.042 467 H GLY 61 H GLY 61 10.224 9.334 4.007 468 HA2 GLY 61 1HA GLY 61 9.408 9.369 1.275 469 HA3 GLY 61 2HA GLY 61 10.678 10.352 1.994 470 H ASP 62 H ASP 62 12.210 8.168 2.992 471 HA ASP 62 HA ASP 62 13.819 7.626 0.757 472 HB2 ASP 62 1HB ASP 62 13.754 6.170 3.405 473 HB3 ASP 62 2HB ASP 62 15.068 6.125 2.234 474 H VAL 63 H VAL 63 11.384 5.747 2.453 475 HA VAL 63 HA VAL 63 11.680 3.338 1.024 476 HB VAL 63 HB VAL 63 9.209 4.458 2.343 477 HG11 VAL 63 1HG1 VAL 63 8.373 2.200 2.367 478 HG12 VAL 63 2HG1 VAL 63 9.854 1.610 1.612 479 HG13 VAL 63 3HG1 VAL 63 8.765 2.662 0.712 480 HG21 VAL 63 3HG2 VAL 63 9.829 2.968 4.202 481 HG22 VAL 63 1HG2 VAL 63 11.000 4.260 3.926 482 HG23 VAL 63 2HG2 VAL 63 11.350 2.622 3.376 483 H ALA 64 H ALA 64 9.635 6.163 0.520 484 HA ALA 64 HA ALA 64 8.276 5.297 -1.756 485 HB1 ALA 64 1HB ALA 64 7.660 7.305 -0.513 486 HB2 ALA 64 2HB ALA 64 7.885 7.658 -2.226 487 HB3 ALA 64 3HB ALA 64 9.133 8.101 -1.063 488 H GLN 65 H GLN 65 11.456 6.771 -1.398 489 HA GLN 65 HA GLN 65 11.861 7.202 -4.191 490 HB2 GLN 65 1HB GLN 65 13.852 7.076 -1.920 491 HB3 GLN 65 2HB GLN 65 14.211 7.637 -3.548 492 HG2 GLN 65 1HG GLN 65 12.651 9.475 -3.280 493 HG3 GLN 65 2HG GLN 65 12.223 8.898 -1.669 494 HE21 GLN 65 1HE2 GLN 65 15.002 8.133 -1.081 495 HE22 GLN 65 2HE2 GLN 65 15.832 9.612 -0.763 496 H LYS 66 H LYS 66 12.608 4.626 -1.936 497 HA LYS 66 HA LYS 66 14.243 3.024 -3.479 498 HB2 LYS 66 1HB LYS 66 12.068 2.279 -1.531 499 HB3 LYS 66 2HB LYS 66 13.253 1.154 -2.162 500 HG2 LYS 66 1HG LYS 66 15.035 2.545 -1.150 501 HG3 LYS 66 2HG LYS 66 13.766 3.547 -0.442 502 HD2 LYS 66 1HD LYS 66 12.914 1.662 0.805 503 HD3 LYS 66 2HD LYS 66 14.078 0.586 0.031 504 HE2 LYS 66 1HE LYS 66 14.788 2.933 1.785 505 HE3 LYS 66 2HE LYS 66 14.741 1.253 2.318 506 HZ1 LYS 66 3HZ LYS 66 16.511 2.329 0.188 507 HZ2 LYS 66 1HZ LYS 66 16.480 0.728 0.737 508 HZ3 LYS 66 2HZ LYS 66 16.986 1.968 1.770 509 H ASN 67 H ASN 67 10.771 3.392 -3.430 510 HA ASN 67 HA ASN 67 10.448 1.337 -5.475 511 HB2 ASN 67 1HB ASN 67 8.435 2.831 -3.785 512 HB3 ASN 67 2HB ASN 67 8.016 1.608 -4.980 513 HD21 ASN 67 1HD2 ASN 67 9.533 2.202 -1.884 514 HD22 ASN 67 2HD2 ASN 67 9.538 0.554 -1.362 515 H GLU 68 H GLU 68 11.331 4.351 -5.620 516 HA GLU 68 HA GLU 68 11.233 6.052 -7.115 517 HB2 GLU 68 1HB GLU 68 10.178 3.838 -8.869 518 HB3 GLU 68 2HB GLU 68 10.629 5.431 -9.458 519 HG2 GLU 68 1HG GLU 68 12.917 5.068 -8.660 520 HG3 GLU 68 2HG GLU 68 12.456 3.455 -8.115 521 H VAL 69 H VAL 69 9.119 5.986 -5.358 522 HA VAL 69 HA VAL 69 6.643 6.353 -6.782 523 HB VAL 69 HB VAL 69 7.416 6.595 -3.882 524 HG11 VAL 69 1HG1 VAL 69 5.061 6.919 -3.347 525 HG12 VAL 69 2HG1 VAL 69 4.666 6.980 -5.065 526 HG13 VAL 69 3HG1 VAL 69 5.661 8.245 -4.343 527 HG21 VAL 69 3HG2 VAL 69 7.295 4.346 -4.777 528 HG22 VAL 69 1HG2 VAL 69 5.669 4.656 -5.385 529 HG23 VAL 69 2HG2 VAL 69 5.971 4.632 -3.648 530 H SER 70 H SER 70 5.911 8.189 -7.579 531 HA SER 70 HA SER 70 6.810 10.717 -6.417 532 HB2 SER 70 1HB SER 70 8.056 10.240 -8.526 533 HB3 SER 70 2HB SER 70 6.510 10.269 -9.352 534 HG SER 70 HG SER 70 7.399 12.432 -7.774 535 H ALA 71 H ALA 71 4.351 8.817 -7.959 536 HA ALA 71 HA ALA 71 2.434 11.026 -7.725 537 HB1 ALA 71 1HB ALA 71 2.469 9.871 -9.877 538 HB2 ALA 71 2HB ALA 71 0.928 9.626 -9.055 539 HB3 ALA 71 3HB ALA 71 2.135 8.340 -9.069 540 H MET 72 H MET 72 1.342 11.140 -5.889 541 HA MET 72 HA MET 72 1.117 8.726 -4.248 542 HB2 MET 72 1HB MET 72 0.515 10.377 -2.416 543 HB3 MET 72 2HB MET 72 2.161 10.457 -3.022 544 HG2 MET 72 1HG MET 72 1.459 12.679 -2.764 545 HG3 MET 72 2HG MET 72 1.397 12.360 -4.491 546 HE1 MET 72 3HE MET 72 -1.574 14.817 -4.176 547 HE2 MET 72 1HE MET 72 -0.133 14.373 -5.091 548 HE3 MET 72 2HE MET 72 0.016 14.899 -3.415 549 HA PRO 73 HA PRO 73 0.149 7.942 -2.675 550 HB2 PRO 73 1HB PRO 73 -2.009 6.092 -2.295 551 HB3 PRO 73 2HB PRO 73 -1.386 7.278 -1.148 552 HG2 PRO 73 1HG PRO 73 -3.885 7.386 -2.304 553 HG3 PRO 73 2HG PRO 73 -3.022 8.783 -1.636 554 HD2 PRO 73 1HD PRO 73 -3.277 7.895 -4.484 555 HD3 PRO 73 2HD PRO 73 -3.317 9.535 -3.808 556 H THR 74 H THR 74 0.913 5.695 -2.771 557 HA THR 74 HA THR 74 0.431 4.478 -5.397 558 HB THR 74 HB THR 74 3.032 4.387 -3.869 559 HG1 THR 74 1HG THR 74 1.981 6.329 -5.503 560 HG21 THR 74 3HG2 THR 74 3.969 3.606 -5.988 561 HG22 THR 74 1HG2 THR 74 2.366 3.671 -6.721 562 HG23 THR 74 2HG2 THR 74 2.694 2.528 -5.419 563 H LEU 75 H LEU 75 -0.413 2.497 -5.271 564 HA LEU 75 HA LEU 75 -0.239 1.056 -2.720 565 HB2 LEU 75 1HB LEU 75 -2.312 1.290 -4.834 566 HB3 LEU 75 2HB LEU 75 -2.167 -0.231 -3.984 567 HG LEU 75 HG LEU 75 -3.915 1.223 -3.033 568 HD11 LEU 75 1HD1 LEU 75 -2.886 -0.377 -1.579 569 HD12 LEU 75 2HD1 LEU 75 -3.173 1.114 -0.683 570 HD13 LEU 75 3HD1 LEU 75 -1.550 0.722 -1.247 571 HD21 LEU 75 3HD2 LEU 75 -1.624 3.085 -2.429 572 HD22 LEU 75 1HD2 LEU 75 -3.254 3.238 -1.771 573 HD23 LEU 75 2HD2 LEU 75 -2.984 3.397 -3.506 574 H LEU 76 H LEU 76 1.301 -0.444 -2.801 575 HA LEU 76 HA LEU 76 1.441 -2.097 -5.238 576 HB2 LEU 76 1HB LEU 76 3.804 -1.599 -3.433 577 HB3 LEU 76 2HB LEU 76 3.803 -2.196 -5.080 578 HG LEU 76 HG LEU 76 2.992 0.629 -4.426 579 HD11 LEU 76 1HD1 LEU 76 5.754 -0.378 -5.106 580 HD12 LEU 76 2HD1 LEU 76 5.248 0.245 -3.537 581 HD13 LEU 76 3HD1 LEU 76 5.273 1.310 -4.943 582 HD21 LEU 76 3HD2 LEU 76 2.417 -0.366 -6.639 583 HD22 LEU 76 1HD2 LEU 76 4.141 -0.591 -6.920 584 HD23 LEU 76 2HD2 LEU 76 3.485 1.035 -6.733 585 H LEU 77 H LEU 77 0.650 -4.058 -4.735 586 HA LEU 77 HA LEU 77 1.155 -5.025 -2.038 587 HB2 LEU 77 1HB LEU 77 -0.045 -7.050 -3.608 588 HB3 LEU 77 2HB LEU 77 -0.714 -6.161 -2.261 589 HG LEU 77 HG LEU 77 -0.864 -5.228 -5.133 590 HD11 LEU 77 1HD1 LEU 77 -2.884 -6.660 -3.385 591 HD12 LEU 77 2HD1 LEU 77 -2.088 -7.328 -4.816 592 HD13 LEU 77 3HD1 LEU 77 -3.223 -5.987 -4.980 593 HD21 LEU 77 3HD2 LEU 77 -1.064 -3.443 -3.442 594 HD22 LEU 77 1HD2 LEU 77 -2.391 -4.331 -2.688 595 HD23 LEU 77 2HD2 LEU 77 -2.566 -3.709 -4.329 596 H PHE 78 H PHE 78 2.789 -6.224 -1.534 597 HA PHE 78 HA PHE 78 4.443 -7.273 -3.714 598 HB2 PHE 78 1HB PHE 78 5.029 -6.137 -1.026 599 HB3 PHE 78 2HB PHE 78 6.116 -7.373 -1.642 600 HD1 PHE 78 2HD PHE 78 7.448 -6.962 -3.635 601 HD2 PHE 78 1HD PHE 78 4.959 -3.939 -1.976 602 HE1 PHE 78 2HE PHE 78 8.650 -5.267 -4.943 603 HE2 PHE 78 1HE PHE 78 6.160 -2.231 -3.279 604 HZ PHE 78 HZ PHE 78 8.010 -2.894 -4.764 605 H LYS 79 H LYS 79 5.622 -9.249 -3.313 606 HA LYS 79 HA LYS 79 4.643 -10.990 -1.198 607 HB2 LYS 79 1HB LYS 79 3.106 -11.329 -3.080 608 HB3 LYS 79 2HB LYS 79 4.483 -11.634 -4.139 609 HG2 LYS 79 1HG LYS 79 5.034 -13.617 -2.742 610 HG3 LYS 79 2HG LYS 79 3.572 -13.322 -1.802 611 HD2 LYS 79 1HD LYS 79 3.625 -13.825 -4.777 612 HD3 LYS 79 2HD LYS 79 3.302 -15.059 -3.559 613 HE2 LYS 79 1HE LYS 79 1.684 -12.538 -3.861 614 HE3 LYS 79 2HE LYS 79 1.269 -14.063 -4.635 615 HZ1 LYS 79 3HZ LYS 79 1.027 -15.087 -2.499 616 HZ2 LYS 79 1HZ LYS 79 0.081 -13.686 -2.534 617 HZ3 LYS 79 2HZ LYS 79 1.554 -13.694 -1.705 618 H ASN 80 H ASN 80 6.263 -12.235 -0.459 619 HA ASN 80 HA ASN 80 8.367 -12.963 -0.081 620 HB2 ASN 80 1HB ASN 80 9.317 -14.466 -1.753 621 HB3 ASN 80 2HB ASN 80 7.593 -14.731 -1.582 622 HD21 ASN 80 1HD2 ASN 80 6.300 -14.486 -3.328 623 HD22 ASN 80 2HD2 ASN 80 6.864 -14.063 -4.903 624 H GLY 81 H GLY 81 8.205 -10.208 -0.913 625 HA2 GLY 81 1HA GLY 81 9.767 -8.533 -1.100 626 HA3 GLY 81 2HA GLY 81 11.011 -9.765 -1.216 627 H LYS 82 H LYS 82 8.537 -10.261 -3.493 628 HA LYS 82 HA LYS 82 10.301 -9.107 -5.537 629 HB2 LYS 82 1HB LYS 82 10.292 -11.258 -6.225 630 HB3 LYS 82 2HB LYS 82 8.858 -11.651 -5.295 631 HG2 LYS 82 1HG LYS 82 7.449 -10.763 -7.019 632 HG3 LYS 82 2HG LYS 82 8.857 -10.253 -7.960 633 HD2 LYS 82 1HD LYS 82 9.549 -12.566 -8.220 634 HD3 LYS 82 2HD LYS 82 8.221 -13.105 -7.191 635 HE2 LYS 82 1HE LYS 82 7.663 -13.457 -9.521 636 HE3 LYS 82 2HE LYS 82 6.617 -12.220 -8.830 637 HZ1 LYS 82 3HZ LYS 82 8.998 -11.735 -10.535 638 HZ2 LYS 82 1HZ LYS 82 8.028 -10.532 -9.847 639 HZ3 LYS 82 2HZ LYS 82 7.382 -11.574 -11.008 640 H GLU 83 H GLU 83 6.854 -9.972 -5.234 641 HA GLU 83 HA GLU 83 5.625 -7.586 -5.118 642 HB2 GLU 83 1HB GLU 83 7.030 -7.213 -7.322 643 HB3 GLU 83 2HB GLU 83 5.756 -8.167 -8.061 644 HG2 GLU 83 1HG GLU 83 4.099 -6.540 -7.362 645 HG3 GLU 83 2HG GLU 83 5.347 -5.601 -6.541 646 H VAL 84 H VAL 84 3.392 -7.647 -6.354 647 HA VAL 84 HA VAL 84 2.638 -10.231 -7.349 648 HB VAL 84 HB VAL 84 2.226 -10.150 -4.797 649 HG11 VAL 84 1HG1 VAL 84 -0.120 -8.545 -5.758 650 HG12 VAL 84 2HG1 VAL 84 1.159 -8.005 -4.671 651 HG13 VAL 84 3HG1 VAL 84 0.041 -9.267 -4.158 652 HG21 VAL 84 3HG2 VAL 84 1.446 -11.951 -6.142 653 HG22 VAL 84 1HG2 VAL 84 0.112 -10.975 -6.754 654 HG23 VAL 84 2HG2 VAL 84 0.145 -11.454 -5.057 655 H ALA 85 H ALA 85 1.933 -6.874 -6.658 656 HA ALA 85 HA ALA 85 0.841 -6.531 -9.309 657 HB1 ALA 85 1HB ALA 85 -1.172 -7.208 -8.060 658 HB2 ALA 85 2HB ALA 85 -1.258 -5.546 -8.657 659 HB3 ALA 85 3HB ALA 85 -0.906 -5.856 -6.958 660 H LYS 86 H LYS 86 0.312 -4.229 -9.726 661 HA LYS 86 HA LYS 86 1.696 -2.405 -7.938 662 HB2 LYS 86 1HB LYS 86 3.284 -3.377 -9.695 663 HB3 LYS 86 2HB LYS 86 2.356 -2.479 -10.885 664 HG2 LYS 86 1HG LYS 86 3.611 -1.119 -8.541 665 HG3 LYS 86 2HG LYS 86 4.532 -1.461 -10.000 666 HD2 LYS 86 1HD LYS 86 2.944 -0.147 -11.308 667 HD3 LYS 86 2HD LYS 86 1.990 0.163 -9.855 668 HE2 LYS 86 1HE LYS 86 3.381 2.080 -10.326 669 HE3 LYS 86 2HE LYS 86 3.940 1.296 -8.854 670 HZ1 LYS 86 3HZ LYS 86 5.778 1.929 -10.298 671 HZ2 LYS 86 1HZ LYS 86 5.162 0.961 -11.540 672 HZ3 LYS 86 2HZ LYS 86 5.710 0.252 -10.108 673 H VAL 87 H VAL 87 0.375 -0.731 -7.588 674 HA VAL 87 HA VAL 87 -1.046 0.439 -9.892 675 HB VAL 87 HB VAL 87 -2.239 0.453 -7.117 676 HG11 VAL 87 1HG1 VAL 87 -3.383 1.018 -9.848 677 HG12 VAL 87 2HG1 VAL 87 -2.986 2.206 -8.602 678 HG13 VAL 87 3HG1 VAL 87 -4.291 1.047 -8.335 679 HG21 VAL 87 3HG2 VAL 87 -3.763 -1.320 -7.735 680 HG22 VAL 87 1HG2 VAL 87 -2.099 -1.895 -7.879 681 HG23 VAL 87 2HG2 VAL 87 -3.005 -1.456 -9.326 682 H VAL 88 H VAL 88 -1.193 2.669 -9.892 683 HA VAL 88 HA VAL 88 0.097 4.139 -7.754 684 HB VAL 88 HB VAL 88 2.021 3.474 -8.929 685 HG11 VAL 88 1HG1 VAL 88 0.702 4.317 -11.502 686 HG12 VAL 88 2HG1 VAL 88 0.853 2.651 -10.929 687 HG13 VAL 88 3HG1 VAL 88 2.302 3.590 -11.326 688 HG21 VAL 88 3HG2 VAL 88 2.905 5.572 -9.878 689 HG22 VAL 88 1HG2 VAL 88 2.051 5.826 -8.355 690 HG23 VAL 88 2HG2 VAL 88 1.271 6.234 -9.882 691 H GLY 89 H GLY 89 -1.919 5.223 -7.565 692 HA2 GLY 89 1HA GLY 89 -1.961 7.753 -8.465 693 HA3 GLY 89 2HA GLY 89 -2.751 6.908 -9.783 694 H ALA 90 H ALA 90 -2.951 6.706 -6.222 695 HA ALA 90 HA ALA 90 -4.721 6.719 -4.785 696 HB1 ALA 90 1HB ALA 90 -6.456 8.380 -5.150 697 HB2 ALA 90 2HB ALA 90 -5.978 8.537 -6.840 698 HB3 ALA 90 3HB ALA 90 -4.877 9.053 -5.562 699 H ASN 91 H ASN 91 -5.258 4.536 -4.967 700 HA ASN 91 HA ASN 91 -7.471 3.961 -6.810 701 HB2 ASN 91 1HB ASN 91 -6.583 1.625 -6.931 702 HB3 ASN 91 2HB ASN 91 -5.562 2.841 -7.689 703 HD21 ASN 91 1HD2 ASN 91 -5.192 0.109 -6.394 704 HD22 ASN 91 2HD2 ASN 91 -3.833 0.332 -5.354 705 HA PRO 92 HA PRO 92 -9.193 2.423 -2.881 706 HB2 PRO 92 1HB PRO 92 -11.659 3.707 -3.650 707 HB3 PRO 92 2HB PRO 92 -10.664 4.022 -2.229 708 HG2 PRO 92 1HG PRO 92 -11.017 5.771 -4.339 709 HG3 PRO 92 2HG PRO 92 -9.676 5.826 -3.184 710 HD2 PRO 92 1HD PRO 92 -9.744 4.790 -5.977 711 HD3 PRO 92 2HD PRO 92 -8.411 5.555 -5.087 712 H ALA 93 H ALA 93 -10.553 2.951 -6.118 713 HA ALA 93 HA ALA 93 -12.095 0.492 -6.006 714 HB1 ALA 93 1HB ALA 93 -12.943 1.145 -8.186 715 HB2 ALA 93 2HB ALA 93 -11.782 2.469 -8.261 716 HB3 ALA 93 3HB ALA 93 -13.063 2.488 -7.051 717 H ALA 94 H ALA 94 -9.217 1.753 -7.598 718 HA ALA 94 HA ALA 94 -8.849 -0.558 -9.263 719 HB1 ALA 94 1HB ALA 94 -7.092 1.791 -8.622 720 HB2 ALA 94 2HB ALA 94 -7.935 1.425 -10.121 721 HB3 ALA 94 3HB ALA 94 -6.552 0.452 -9.626 722 H ILE 95 H ILE 95 -8.060 0.180 -5.953 723 HA ILE 95 HA ILE 95 -6.044 -1.737 -5.578 724 HB ILE 95 HB ILE 95 -7.082 -0.204 -3.746 725 HG12 ILE 95 1HG1 ILE 95 -6.371 -1.734 -1.961 726 HG13 ILE 95 2HG1 ILE 95 -6.480 -3.107 -3.064 727 HG21 ILE 95 1HG2 ILE 95 -8.752 -1.278 -2.311 728 HG22 ILE 95 2HG2 ILE 95 -8.892 -2.606 -3.474 729 HG23 ILE 95 3HG2 ILE 95 -9.384 -0.968 -3.929 730 HD11 ILE 95 3HD1 ILE 95 -4.593 -0.779 -3.391 731 HD12 ILE 95 1HD1 ILE 95 -4.641 -2.250 -4.360 732 HD13 ILE 95 2HD1 ILE 95 -4.175 -2.329 -2.663 733 H LYS 96 H LYS 96 -9.517 -1.963 -5.896 734 HA LYS 96 HA LYS 96 -9.910 -4.637 -5.307 735 HB2 LYS 96 1HB LYS 96 -11.340 -2.654 -6.986 736 HB3 LYS 96 2HB LYS 96 -11.724 -4.348 -7.264 737 HG2 LYS 96 1HG LYS 96 -11.852 -2.959 -4.603 738 HG3 LYS 96 2HG LYS 96 -13.235 -3.293 -5.649 739 HD2 LYS 96 1HD LYS 96 -12.694 -5.708 -5.512 740 HD3 LYS 96 2HD LYS 96 -11.398 -5.323 -4.376 741 HE2 LYS 96 1HE LYS 96 -13.392 -6.074 -3.200 742 HE3 LYS 96 2HE LYS 96 -13.045 -4.389 -2.824 743 HZ1 LYS 96 3HZ LYS 96 -15.060 -5.325 -4.792 744 HZ2 LYS 96 1HZ LYS 96 -14.756 -3.715 -4.374 745 HZ3 LYS 96 2HZ LYS 96 -15.404 -4.780 -3.230 746 H GLN 97 H GLN 97 -8.800 -3.117 -8.276 747 HA GLN 97 HA GLN 97 -8.750 -5.332 -9.949 748 HB2 GLN 97 1HB GLN 97 -8.366 -3.215 -10.925 749 HB3 GLN 97 2HB GLN 97 -7.068 -2.836 -9.808 750 HG2 GLN 97 1HG GLN 97 -6.715 -5.156 -11.642 751 HG3 GLN 97 2HG GLN 97 -6.592 -3.529 -12.310 752 HE21 GLN 97 1HE2 GLN 97 -4.567 -5.688 -11.873 753 HE22 GLN 97 2HE2 GLN 97 -3.303 -4.937 -10.960 754 H ALA 98 H ALA 98 -6.128 -4.081 -7.857 755 HA ALA 98 HA ALA 98 -4.486 -6.400 -8.363 756 HB1 ALA 98 1HB ALA 98 -4.130 -4.214 -6.302 757 HB2 ALA 98 2HB ALA 98 -3.492 -4.174 -7.943 758 HB3 ALA 98 3HB ALA 98 -2.897 -5.375 -6.797 759 H ILE 99 H ILE 99 -6.869 -5.566 -6.138 760 HA ILE 99 HA ILE 99 -5.974 -7.239 -3.999 761 HB ILE 99 HB ILE 99 -7.652 -5.077 -4.143 762 HG12 ILE 99 1HG1 ILE 99 -6.458 -5.600 -2.183 763 HG13 ILE 99 2HG1 ILE 99 -8.167 -5.608 -1.747 764 HG21 ILE 99 1HG2 ILE 99 -9.469 -7.335 -3.409 765 HG22 ILE 99 2HG2 ILE 99 -9.510 -6.498 -4.962 766 HG23 ILE 99 3HG2 ILE 99 -9.832 -5.605 -3.470 767 HD11 ILE 99 3HD1 ILE 99 -7.440 -7.532 -0.729 768 HD12 ILE 99 1HD1 ILE 99 -6.296 -7.902 -2.024 769 HD13 ILE 99 2HD1 ILE 99 -8.023 -8.142 -2.288 770 H ALA 100 H ALA 100 -8.440 -7.441 -6.493 771 HA ALA 100 HA ALA 100 -9.379 -9.974 -5.469 772 HB1 ALA 100 1HB ALA 100 -11.009 -9.896 -7.294 773 HB2 ALA 100 2HB ALA 100 -10.211 -8.468 -7.954 774 HB3 ALA 100 3HB ALA 100 -11.006 -8.387 -6.381 775 H ALA 101 H ALA 101 -7.417 -8.699 -8.058 776 HA ALA 101 HA ALA 101 -7.139 -11.078 -9.546 777 HB1 ALA 101 1HB ALA 101 -5.154 -10.036 -10.517 778 HB2 ALA 101 2HB ALA 101 -5.199 -8.782 -9.278 779 HB3 ALA 101 3HB ALA 101 -6.504 -8.903 -10.458 780 H ASN 102 H ASN 102 -5.321 -9.715 -6.783 781 HA ASN 102 HA ASN 102 -3.817 -12.253 -6.778 782 HB2 ASN 102 1HB ASN 102 -3.011 -9.616 -5.545 783 HB3 ASN 102 2HB ASN 102 -2.049 -11.091 -5.548 784 HD21 ASN 102 1HD2 ASN 102 -3.078 -8.357 -7.296 785 HD22 ASN 102 2HD2 ASN 102 -2.154 -8.636 -8.737 786 H ALA 103 H ALA 103 -4.164 -9.952 -4.154 787 HA ALA 103 HA ALA 103 -4.142 -10.446 -1.909 788 HB1 ALA 103 1HB ALA 103 -6.721 -11.787 -2.679 789 HB2 ALA 103 2HB ALA 103 -6.501 -10.050 -2.475 790 HB3 ALA 103 3HB ALA 103 -6.299 -11.132 -1.095 Start of MODEL 12 1 H1 MET 1 1H MET 1 -8.823 -1.510 8.579 2 H2 MET 1 2H MET 1 -9.606 -1.609 10.076 3 H3 MET 1 3H MET 1 -8.595 -2.864 9.570 4 HA MET 1 HA MET 1 -7.762 -0.103 10.210 5 HB2 MET 1 1HB MET 1 -8.375 -1.474 12.173 6 HB3 MET 1 2HB MET 1 -7.244 -2.713 11.650 7 HG2 MET 1 1HG MET 1 -5.386 -1.214 11.983 8 HG3 MET 1 2HG MET 1 -6.485 0.103 12.387 9 HE1 MET 1 3HE MET 1 -6.821 -3.681 13.481 10 HE2 MET 1 1HE MET 1 -5.931 -3.665 15.002 11 HE3 MET 1 2HE MET 1 -5.083 -3.393 13.479 12 H VAL 2 H VAL 2 -5.945 0.513 9.257 13 HA VAL 2 HA VAL 2 -4.121 -1.560 8.249 14 HB VAL 2 HB VAL 2 -4.707 -0.785 6.226 15 HG11 VAL 2 1HG1 VAL 2 -6.507 0.593 7.071 16 HG12 VAL 2 2HG1 VAL 2 -5.683 1.328 5.694 17 HG13 VAL 2 3HG1 VAL 2 -5.363 1.911 7.334 18 HG21 VAL 2 3HG2 VAL 2 -2.960 1.543 6.908 19 HG22 VAL 2 1HG2 VAL 2 -3.235 0.827 5.322 20 HG23 VAL 2 2HG2 VAL 2 -2.361 -0.077 6.558 21 H THR 3 H THR 3 -2.060 -1.426 8.751 22 HA THR 3 HA THR 3 -1.306 0.411 10.849 23 HB THR 3 HB THR 3 -0.451 -2.201 9.888 24 HG1 THR 3 1HG THR 3 -0.026 -2.461 12.070 25 HG21 THR 3 3HG2 THR 3 1.902 -2.056 10.481 26 HG22 THR 3 1HG2 THR 3 1.737 -0.327 10.799 27 HG23 THR 3 2HG2 THR 3 1.546 -0.940 9.152 28 H GLN 4 H GLN 4 0.356 1.857 10.826 29 HA GLN 4 HA GLN 4 1.477 2.539 8.204 30 HB2 GLN 4 1HB GLN 4 2.215 4.655 9.517 31 HB3 GLN 4 2HB GLN 4 0.529 4.490 9.053 32 HG2 GLN 4 1HG GLN 4 0.357 5.202 11.229 33 HG3 GLN 4 2HG GLN 4 0.231 3.454 11.402 34 HE21 GLN 4 1HE2 GLN 4 3.208 5.237 10.811 35 HE22 GLN 4 2HE2 GLN 4 3.937 4.878 12.336 36 H PHE 5 H PHE 5 3.560 2.127 7.794 37 HA PHE 5 HA PHE 5 5.266 1.093 9.889 38 HB2 PHE 5 1HB PHE 5 5.731 1.508 6.935 39 HB3 PHE 5 2HB PHE 5 6.998 0.985 8.028 40 HD1 PHE 5 1HD PHE 5 5.285 -0.855 9.745 41 HD2 PHE 5 2HD PHE 5 5.639 -0.367 5.531 42 HE1 PHE 5 1HE PHE 5 4.645 -3.206 9.421 43 HE2 PHE 5 2HE PHE 5 4.995 -2.721 5.194 44 HZ PHE 5 HZ PHE 5 4.498 -4.139 7.150 45 H LYS 6 H LYS 6 7.424 1.974 10.228 46 HA LYS 6 HA LYS 6 7.389 4.900 10.019 47 HB2 LYS 6 1HB LYS 6 8.532 5.002 12.146 48 HB3 LYS 6 2HB LYS 6 7.059 4.058 12.310 49 HG2 LYS 6 1HG LYS 6 8.480 2.007 12.049 50 HG3 LYS 6 2HG LYS 6 9.887 3.056 12.188 51 HD2 LYS 6 1HD LYS 6 7.718 2.660 14.246 52 HD3 LYS 6 2HD LYS 6 9.383 2.090 14.346 53 HE2 LYS 6 1HE LYS 6 8.441 4.955 14.345 54 HE3 LYS 6 2HE LYS 6 9.120 4.068 15.705 55 HZ1 LYS 6 3HZ LYS 6 11.200 3.863 14.413 56 HZ2 LYS 6 1HZ LYS 6 10.796 5.465 14.774 57 HZ3 LYS 6 2HZ LYS 6 10.532 4.861 13.221 58 H THR 7 H THR 7 9.140 2.028 9.334 59 HA THR 7 HA THR 7 11.310 3.657 8.264 60 HB THR 7 HB THR 7 12.924 1.840 8.863 61 HG1 THR 7 1HG THR 7 12.216 0.596 10.753 62 HG21 THR 7 3HG2 THR 7 13.244 2.642 11.162 63 HG22 THR 7 1HG2 THR 7 11.638 3.368 11.124 64 HG23 THR 7 2HG2 THR 7 12.901 3.964 10.049 65 H ALA 8 H ALA 8 12.406 2.844 6.473 66 HA ALA 8 HA ALA 8 10.929 1.372 4.606 67 HB1 ALA 8 1HB ALA 8 13.943 1.638 4.715 68 HB2 ALA 8 2HB ALA 8 12.857 2.864 4.068 69 HB3 ALA 8 3HB ALA 8 12.959 1.280 3.294 70 H SER 9 H SER 9 13.270 0.477 7.056 71 HA SER 9 HA SER 9 13.676 -2.205 6.440 72 HB2 SER 9 1HB SER 9 13.547 -0.927 9.181 73 HB3 SER 9 2HB SER 9 14.313 -2.467 8.793 74 HG SER 9 HG SER 9 15.409 -0.847 7.136 75 H GLU 10 H GLU 10 11.008 -0.621 8.183 76 HA GLU 10 HA GLU 10 9.789 -3.045 9.064 77 HB2 GLU 10 1HB GLU 10 8.664 -0.292 8.558 78 HB3 GLU 10 2HB GLU 10 7.687 -1.618 9.172 79 HG2 GLU 10 1HG GLU 10 10.101 -0.411 10.499 80 HG3 GLU 10 2HG GLU 10 8.418 -0.196 10.976 81 H PHE 11 H PHE 11 9.267 -0.984 6.263 82 HA PHE 11 HA PHE 11 7.256 -2.496 5.021 83 HB2 PHE 11 1HB PHE 11 7.406 -0.380 4.179 84 HB3 PHE 11 2HB PHE 11 9.161 -0.346 4.240 85 HD1 PHE 11 1HD PHE 11 6.234 -1.219 2.259 86 HD2 PHE 11 2HD PHE 11 10.479 -1.187 2.394 87 HE1 PHE 11 1HE PHE 11 6.303 -1.584 -0.172 88 HE2 PHE 11 2HE PHE 11 10.563 -1.557 -0.037 89 HZ PHE 11 HZ PHE 11 8.472 -1.753 -1.325 90 H ASP 12 H ASP 12 10.757 -2.541 4.701 91 HA ASP 12 HA ASP 12 11.057 -4.285 2.571 92 HB2 ASP 12 1HB ASP 12 12.934 -3.061 3.433 93 HB3 ASP 12 2HB ASP 12 12.795 -3.848 5.001 94 H SER 13 H SER 13 10.904 -5.089 6.038 95 HA SER 13 HA SER 13 11.276 -7.864 5.637 96 HB2 SER 13 1HB SER 13 9.953 -6.512 7.998 97 HB3 SER 13 2HB SER 13 10.720 -8.099 7.978 98 HG SER 13 HG SER 13 11.857 -5.868 8.605 99 H ALA 14 H ALA 14 8.405 -5.838 5.891 100 HA ALA 14 HA ALA 14 6.509 -7.908 6.060 101 HB1 ALA 14 1HB ALA 14 6.228 -5.136 4.914 102 HB2 ALA 14 2HB ALA 14 5.906 -5.627 6.578 103 HB3 ALA 14 3HB ALA 14 4.889 -6.227 5.265 104 H ILE 15 H ILE 15 7.676 -6.066 3.245 105 HA ILE 15 HA ILE 15 6.072 -7.491 1.396 106 HB ILE 15 HB ILE 15 7.403 -6.430 -0.348 107 HG12 ILE 15 1HG1 ILE 15 9.082 -5.161 1.804 108 HG13 ILE 15 2HG1 ILE 15 9.570 -6.661 1.028 109 HG21 ILE 15 1HG2 ILE 15 5.614 -5.165 0.722 110 HG22 ILE 15 2HG2 ILE 15 6.935 -4.103 0.237 111 HG23 ILE 15 3HG2 ILE 15 6.750 -4.564 1.930 112 HD11 ILE 15 3HD1 ILE 15 10.648 -4.743 0.011 113 HD12 ILE 15 1HD1 ILE 15 9.073 -4.037 -0.354 114 HD13 ILE 15 2HD1 ILE 15 9.568 -5.539 -1.136 115 H ALA 16 H ALA 16 9.067 -8.204 2.928 116 HA ALA 16 HA ALA 16 10.026 -10.000 0.901 117 HB1 ALA 16 1HB ALA 16 10.865 -9.770 3.782 118 HB2 ALA 16 2HB ALA 16 11.555 -8.844 2.447 119 HB3 ALA 16 3HB ALA 16 11.743 -10.599 2.497 120 H GLN 17 H GLN 17 7.679 -10.162 3.290 121 HA GLN 17 HA GLN 17 7.918 -12.951 3.887 122 HB2 GLN 17 1HB GLN 17 5.677 -10.979 4.340 123 HB3 GLN 17 2HB GLN 17 5.616 -12.654 4.869 124 HG2 GLN 17 1HG GLN 17 7.573 -12.289 6.270 125 HG3 GLN 17 2HG GLN 17 7.641 -10.608 5.740 126 HE21 GLN 17 1HE2 GLN 17 4.732 -10.327 5.749 127 HE22 GLN 17 2HE2 GLN 17 4.266 -10.221 7.411 128 H ASP 18 H ASP 18 6.656 -14.640 3.103 129 HA ASP 18 HA ASP 18 5.832 -14.315 0.354 130 HB2 ASP 18 1HB ASP 18 7.085 -16.314 1.204 131 HB3 ASP 18 2HB ASP 18 5.636 -16.760 2.096 132 H LYS 19 H LYS 19 4.269 -12.783 1.853 133 HA LYS 19 HA LYS 19 1.641 -14.014 1.493 134 HB2 LYS 19 1HB LYS 19 0.840 -13.469 3.574 135 HB3 LYS 19 2HB LYS 19 2.484 -13.920 3.965 136 HG2 LYS 19 1HG LYS 19 3.122 -11.772 4.440 137 HG3 LYS 19 2HG LYS 19 1.888 -11.061 3.393 138 HD2 LYS 19 1HD LYS 19 1.333 -12.482 5.998 139 HD3 LYS 19 2HD LYS 19 1.417 -10.728 5.800 140 HE2 LYS 19 1HE LYS 19 -0.482 -10.702 4.387 141 HE3 LYS 19 2HE LYS 19 -0.458 -12.452 4.192 142 HZ1 LYS 19 3HZ LYS 19 -0.947 -12.602 6.612 143 HZ2 LYS 19 1HZ LYS 19 -2.186 -11.889 5.704 144 HZ3 LYS 19 2HZ LYS 19 -1.157 -10.921 6.641 145 H LEU 20 H LEU 20 -0.062 -12.262 1.533 146 HA LEU 20 HA LEU 20 0.700 -10.273 -0.374 147 HB2 LEU 20 1HB LEU 20 -1.533 -11.570 -0.133 148 HB3 LEU 20 2HB LEU 20 -1.927 -10.376 1.081 149 HG LEU 20 HG LEU 20 -2.965 -9.767 -0.989 150 HD11 LEU 20 1HD1 LEU 20 -2.039 -7.535 -1.383 151 HD12 LEU 20 2HD1 LEU 20 -0.619 -7.970 -0.427 152 HD13 LEU 20 3HD1 LEU 20 -2.209 -7.907 0.331 153 HD21 LEU 20 3HD2 LEU 20 -0.236 -9.734 -2.250 154 HD22 LEU 20 1HD2 LEU 20 -1.774 -9.360 -3.032 155 HD23 LEU 20 2HD2 LEU 20 -1.440 -11.003 -2.477 156 H VAL 21 H VAL 21 1.949 -8.649 0.400 157 HA VAL 21 HA VAL 21 0.822 -7.107 2.644 158 HB VAL 21 HB VAL 21 3.694 -7.261 1.692 159 HG11 VAL 21 1HG1 VAL 21 2.522 -5.425 3.782 160 HG12 VAL 21 2HG1 VAL 21 3.078 -4.925 2.186 161 HG13 VAL 21 3HG1 VAL 21 4.231 -5.566 3.365 162 HG21 VAL 21 3HG2 VAL 21 2.392 -7.893 4.342 163 HG22 VAL 21 1HG2 VAL 21 4.117 -7.998 3.991 164 HG23 VAL 21 2HG2 VAL 21 2.983 -9.069 3.169 165 H VAL 22 H VAL 22 -0.418 -5.556 1.823 166 HA VAL 22 HA VAL 22 0.593 -4.067 -0.471 167 HB VAL 22 HB VAL 22 -1.503 -4.436 -1.146 168 HG11 VAL 22 1HG1 VAL 22 -3.434 -4.841 0.280 169 HG12 VAL 22 2HG1 VAL 22 -2.434 -4.535 1.703 170 HG13 VAL 22 3HG1 VAL 22 -2.082 -5.907 0.651 171 HG21 VAL 22 3HG2 VAL 22 -1.468 -2.037 -0.964 172 HG22 VAL 22 1HG2 VAL 22 -2.003 -2.123 0.716 173 HG23 VAL 22 2HG2 VAL 22 -3.085 -2.626 -0.581 174 H VAL 23 H VAL 23 1.840 -2.509 0.017 175 HA VAL 23 HA VAL 23 1.347 -0.844 2.386 176 HB VAL 23 HB VAL 23 3.780 -1.211 0.630 177 HG11 VAL 23 1HG1 VAL 23 3.441 0.627 2.994 178 HG12 VAL 23 2HG1 VAL 23 3.612 1.131 1.312 179 HG13 VAL 23 3HG1 VAL 23 4.947 0.318 2.130 180 HG21 VAL 23 3HG2 VAL 23 3.147 -2.952 2.353 181 HG22 VAL 23 1HG2 VAL 23 3.472 -1.728 3.576 182 HG23 VAL 23 2HG2 VAL 23 4.762 -2.269 2.503 183 H ALA 24 H ALA 24 0.774 1.263 2.203 184 HA ALA 24 HA ALA 24 0.799 2.497 -0.470 185 HB1 ALA 24 1HB ALA 24 -1.292 2.605 1.661 186 HB2 ALA 24 2HB ALA 24 -1.473 2.147 -0.029 187 HB3 ALA 24 3HB ALA 24 -1.197 3.835 0.401 188 H PHE 25 H PHE 25 2.295 3.910 -0.602 189 HA PHE 25 HA PHE 25 3.359 5.354 1.601 190 HB2 PHE 25 1HB PHE 25 3.561 5.792 -1.380 191 HB3 PHE 25 2HB PHE 25 4.543 6.638 -0.180 192 HD1 PHE 25 2HD PHE 25 6.053 5.249 1.311 193 HD2 PHE 25 1HD PHE 25 4.181 3.694 -2.180 194 HE1 PHE 25 2HE PHE 25 7.675 3.401 1.262 195 HE2 PHE 25 1HE PHE 25 5.803 1.844 -2.230 196 HZ PHE 25 HZ PHE 25 7.551 1.698 -0.506 197 H TYR 26 H TYR 26 2.403 6.977 2.624 198 HA TYR 26 HA TYR 26 0.152 8.306 1.274 199 HB2 TYR 26 1HB TYR 26 0.096 6.458 3.388 200 HB3 TYR 26 2HB TYR 26 -0.213 8.033 4.118 201 HD1 TYR 26 2HD TYR 26 -1.177 6.156 1.080 202 HD2 TYR 26 1HD TYR 26 -2.402 8.639 4.294 203 HE1 TYR 26 2HE TYR 26 -3.486 6.031 0.281 204 HE2 TYR 26 1HE TYR 26 -4.724 8.531 3.508 205 HH TYR 26 HH TYR 26 -5.986 8.034 1.639 206 H ALA 27 H ALA 27 -0.729 10.084 2.700 207 HA ALA 27 HA ALA 27 1.065 11.452 4.463 208 HB1 ALA 27 1HB ALA 27 1.932 12.240 2.308 209 HB2 ALA 27 2HB ALA 27 1.125 13.549 3.172 210 HB3 ALA 27 3HB ALA 27 0.311 12.745 1.830 211 H THR 28 H THR 28 -0.090 12.990 5.711 212 HA THR 28 HA THR 28 -2.944 12.551 5.713 213 HB THR 28 HB THR 28 -2.804 14.086 7.770 214 HG1 THR 28 1HG THR 28 -0.226 13.525 8.258 215 HG21 THR 28 3HG2 THR 28 -1.938 12.259 9.167 216 HG22 THR 28 1HG2 THR 28 -1.289 11.471 7.729 217 HG23 THR 28 2HG2 THR 28 -3.032 11.659 7.920 218 H TRP 29 H TRP 29 -1.061 14.665 4.044 219 HA TRP 29 HA TRP 29 -2.950 16.898 4.352 220 HB2 TRP 29 1HB TRP 29 -0.874 18.239 3.474 221 HB3 TRP 29 2HB TRP 29 -1.003 17.800 5.173 222 HD1 TRP 29 HD TRP 29 0.663 15.948 6.096 223 HE1 TRP 29 1HE TRP 29 2.903 15.039 5.214 224 HE3 TRP 29 3HE TRP 29 0.402 17.660 1.284 225 HZ2 TRP 29 2HZ TRP 29 4.362 15.039 2.801 226 HZ3 TRP 29 3HZ TRP 29 2.263 17.163 -0.246 227 HH2 TRP 29 HH TRP 29 4.203 15.879 0.498 228 H CYS 30 H CYS 30 -3.791 15.134 2.481 229 HA CYS 30 HA CYS 30 -3.509 16.746 0.104 230 HB2 CYS 30 1HB CYS 30 -3.096 14.611 -1.295 231 HB3 CYS 30 2HB CYS 30 -1.741 15.385 -0.486 232 H GLY 31 H GLY 31 -4.872 15.815 -1.755 233 HA2 GLY 31 1HA GLY 31 -7.522 15.319 -0.705 234 HA3 GLY 31 2HA GLY 31 -7.099 15.611 -2.384 235 HA PRO 32 HA PRO 32 -7.108 11.363 -3.634 236 HB2 PRO 32 1HB PRO 32 -4.154 11.058 -3.337 237 HB3 PRO 32 2HB PRO 32 -5.195 10.648 -4.703 238 HG2 PRO 32 1HG PRO 32 -3.674 12.816 -4.786 239 HG3 PRO 32 2HG PRO 32 -5.323 12.842 -5.437 240 HD2 PRO 32 1HD PRO 32 -4.276 13.981 -2.884 241 HD3 PRO 32 2HD PRO 32 -5.531 14.610 -3.965 242 H CYS 33 H CYS 33 -4.752 11.859 -1.036 243 HA CYS 33 HA CYS 33 -4.946 9.257 0.056 244 HB2 CYS 33 1HB CYS 33 -3.910 10.356 2.078 245 HB3 CYS 33 2HB CYS 33 -3.024 10.567 0.571 246 H LYS 34 H LYS 34 -6.873 12.138 0.440 247 HA LYS 34 HA LYS 34 -8.065 11.382 2.897 248 HB2 LYS 34 1HB LYS 34 -8.048 13.707 2.111 249 HB3 LYS 34 2HB LYS 34 -9.085 13.265 0.762 250 HG2 LYS 34 1HG LYS 34 -10.363 14.335 2.520 251 HG3 LYS 34 2HG LYS 34 -10.859 12.654 2.326 252 HD2 LYS 34 1HD LYS 34 -9.302 12.089 4.223 253 HD3 LYS 34 2HD LYS 34 -9.115 13.824 4.485 254 HE2 LYS 34 1HE LYS 34 -10.800 12.892 5.974 255 HE3 LYS 34 2HE LYS 34 -11.523 14.028 4.836 256 HZ1 LYS 34 3HZ LYS 34 -11.545 11.074 4.534 257 HZ2 LYS 34 1HZ LYS 34 -12.300 12.188 3.512 258 HZ3 LYS 34 2HZ LYS 34 -12.841 12.000 5.100 259 H MET 35 H MET 35 -8.846 10.765 -0.480 260 HA MET 35 HA MET 35 -11.455 9.714 0.160 261 HB2 MET 35 1HB MET 35 -11.623 9.162 -2.209 262 HB3 MET 35 2HB MET 35 -11.136 10.831 -1.959 263 HG2 MET 35 1HG MET 35 -8.833 10.221 -2.459 264 HG3 MET 35 2HG MET 35 -9.331 8.548 -2.690 265 HE1 MET 35 3HE MET 35 -11.697 8.881 -5.813 266 HE2 MET 35 1HE MET 35 -12.294 9.344 -4.218 267 HE3 MET 35 2HE MET 35 -11.273 7.920 -4.399 268 H ILE 36 H ILE 36 -8.367 8.181 -0.850 269 HA ILE 36 HA ILE 36 -9.661 5.633 -0.904 270 HB ILE 36 HB ILE 36 -7.968 5.469 -2.395 271 HG12 ILE 36 1HG1 ILE 36 -7.658 3.860 -0.301 272 HG13 ILE 36 2HG1 ILE 36 -6.557 3.809 -1.660 273 HG21 ILE 36 1HG2 ILE 36 -5.752 6.471 -2.193 274 HG22 ILE 36 2HG2 ILE 36 -6.185 7.088 -0.598 275 HG23 ILE 36 3HG2 ILE 36 -7.040 7.662 -2.030 276 HD11 ILE 36 3HD1 ILE 36 -5.551 3.808 0.671 277 HD12 ILE 36 1HD1 ILE 36 -6.031 5.507 0.755 278 HD13 ILE 36 2HD1 ILE 36 -4.890 4.962 -0.485 279 H ALA 37 H ALA 37 -8.117 7.511 1.536 280 HA ALA 37 HA ALA 37 -7.204 5.447 3.177 281 HB1 ALA 37 1HB ALA 37 -6.632 7.807 3.460 282 HB2 ALA 37 2HB ALA 37 -7.155 7.040 4.964 283 HB3 ALA 37 3HB ALA 37 -8.250 8.112 4.093 284 HA PRO 38 HA PRO 38 -11.751 5.197 5.023 285 HB2 PRO 38 1HB PRO 38 -13.170 6.207 2.617 286 HB3 PRO 38 2HB PRO 38 -13.590 6.374 4.325 287 HG2 PRO 38 1HG PRO 38 -12.611 8.433 2.957 288 HG3 PRO 38 2HG PRO 38 -12.142 8.148 4.643 289 HD2 PRO 38 1HD PRO 38 -10.617 7.596 2.132 290 HD3 PRO 38 2HD PRO 38 -10.040 8.200 3.696 291 H MET 39 H MET 39 -11.171 5.028 1.484 292 HA MET 39 HA MET 39 -12.701 2.672 1.110 293 HB2 MET 39 1HB MET 39 -10.494 3.884 -0.531 294 HB3 MET 39 2HB MET 39 -11.364 2.442 -1.029 295 HG2 MET 39 1HG MET 39 -12.596 5.136 -0.495 296 HG3 MET 39 2HG MET 39 -12.245 4.460 -2.084 297 HE1 MET 39 3HE MET 39 -14.702 4.734 -2.966 298 HE2 MET 39 1HE MET 39 -15.079 5.557 -1.454 299 HE3 MET 39 2HE MET 39 -16.128 4.267 -2.039 300 H ILE 40 H ILE 40 -9.112 2.962 1.311 301 HA ILE 40 HA ILE 40 -8.632 0.197 1.352 302 HB ILE 40 HB ILE 40 -7.027 2.546 1.738 303 HG12 ILE 40 1HG1 ILE 40 -5.243 0.541 1.465 304 HG13 ILE 40 2HG1 ILE 40 -6.701 -0.290 0.940 305 HG21 ILE 40 1HG2 ILE 40 -6.974 2.101 4.094 306 HG22 ILE 40 2HG2 ILE 40 -5.410 1.691 3.386 307 HG23 ILE 40 3HG2 ILE 40 -6.554 0.416 3.800 308 HD11 ILE 40 3HD1 ILE 40 -7.074 1.547 -0.704 309 HD12 ILE 40 1HD1 ILE 40 -5.598 0.610 -0.964 310 HD13 ILE 40 2HD1 ILE 40 -5.501 2.199 -0.216 311 H GLU 41 H GLU 41 -9.468 2.439 3.945 312 HA GLU 41 HA GLU 41 -9.202 0.781 6.158 313 HB2 GLU 41 1HB GLU 41 -9.848 3.163 6.272 314 HB3 GLU 41 2HB GLU 41 -11.418 2.760 5.592 315 HG2 GLU 41 1HG GLU 41 -11.705 3.033 7.922 316 HG3 GLU 41 2HG GLU 41 -11.817 1.308 7.582 317 H LYS 42 H LYS 42 -11.939 1.101 3.919 318 HA LYS 42 HA LYS 42 -13.576 -0.823 5.148 319 HB2 LYS 42 1HB LYS 42 -14.361 0.825 3.482 320 HB3 LYS 42 2HB LYS 42 -13.452 -0.022 2.238 321 HG2 LYS 42 1HG LYS 42 -14.901 -2.064 3.098 322 HG3 LYS 42 2HG LYS 42 -15.992 -0.754 3.567 323 HD2 LYS 42 1HD LYS 42 -15.522 0.101 1.141 324 HD3 LYS 42 2HD LYS 42 -15.055 -1.580 0.859 325 HE2 LYS 42 1HE LYS 42 -17.364 -1.337 0.274 326 HE3 LYS 42 2HE LYS 42 -17.271 -2.271 1.767 327 HZ1 LYS 42 3HZ LYS 42 -17.922 0.618 1.542 328 HZ2 LYS 42 1HZ LYS 42 -17.760 -0.225 2.998 329 HZ3 LYS 42 2HZ LYS 42 -19.000 -0.627 1.926 330 H PHE 43 H PHE 43 -11.328 -1.095 2.441 331 HA PHE 43 HA PHE 43 -11.744 -3.828 1.987 332 HB2 PHE 43 1HB PHE 43 -9.414 -2.071 1.260 333 HB3 PHE 43 2HB PHE 43 -9.652 -3.710 0.674 334 HD1 PHE 43 2HD PHE 43 -12.850 -2.579 0.886 335 HD2 PHE 43 1HD PHE 43 -9.301 -1.895 -1.366 336 HE1 PHE 43 2HE PHE 43 -14.201 -1.683 -0.971 337 HE2 PHE 43 1HE PHE 43 -10.649 -0.988 -3.219 338 HZ PHE 43 HZ PHE 43 -13.100 -0.886 -3.022 339 H SER 44 H SER 44 -10.038 -2.164 4.388 340 HA SER 44 HA SER 44 -8.242 -4.356 4.997 341 HB2 SER 44 1HB SER 44 -7.201 -2.939 6.587 342 HB3 SER 44 2HB SER 44 -7.600 -1.887 5.227 343 HG SER 44 HG SER 44 -9.555 -1.355 6.454 344 H GLU 45 H GLU 45 -11.377 -3.316 5.660 345 HA GLU 45 HA GLU 45 -11.637 -4.972 8.028 346 HB2 GLU 45 1HB GLU 45 -13.729 -3.679 6.267 347 HB3 GLU 45 2HB GLU 45 -14.074 -4.560 7.749 348 HG2 GLU 45 1HG GLU 45 -12.753 -2.920 9.009 349 HG3 GLU 45 2HG GLU 45 -12.474 -2.023 7.515 350 H GLN 46 H GLN 46 -11.786 -5.223 4.606 351 HA GLN 46 HA GLN 46 -12.731 -7.994 4.859 352 HB2 GLN 46 1HB GLN 46 -13.205 -7.474 2.254 353 HB3 GLN 46 2HB GLN 46 -14.396 -7.271 3.529 354 HG2 GLN 46 1HG GLN 46 -14.220 -4.977 3.510 355 HG3 GLN 46 2HG GLN 46 -12.605 -4.986 2.813 356 HE21 GLN 46 1HE2 GLN 46 -15.074 -3.596 2.027 357 HE22 GLN 46 2HE2 GLN 46 -15.355 -4.036 0.377 358 H TYR 47 H TYR 47 -9.928 -7.120 5.015 359 HA TYR 47 HA TYR 47 -8.900 -8.518 2.658 360 HB2 TYR 47 1HB TYR 47 -6.659 -7.863 3.362 361 HB3 TYR 47 2HB TYR 47 -7.720 -6.473 3.242 362 HD1 TYR 47 1HD TYR 47 -8.792 -7.811 6.172 363 HD2 TYR 47 2HD TYR 47 -5.321 -5.976 4.570 364 HE1 TYR 47 1HE TYR 47 -8.100 -7.151 8.444 365 HE2 TYR 47 2HE TYR 47 -4.623 -5.305 6.826 366 HH TYR 47 HH TYR 47 -5.646 -4.885 9.032 367 HA PRO 48 HA PRO 48 -9.513 -12.022 5.434 368 HB2 PRO 48 1HB PRO 48 -9.095 -13.629 3.011 369 HB3 PRO 48 2HB PRO 48 -10.491 -13.564 4.087 370 HG2 PRO 48 1HG PRO 48 -10.556 -12.527 1.608 371 HG3 PRO 48 2HG PRO 48 -11.451 -11.808 2.956 372 HD2 PRO 48 1HD PRO 48 -8.873 -10.940 1.715 373 HD3 PRO 48 2HD PRO 48 -10.231 -9.957 2.302 374 H GLN 49 H GLN 49 -7.064 -12.151 2.838 375 HA GLN 49 HA GLN 49 -5.370 -13.690 4.684 376 HB2 GLN 49 1HB GLN 49 -4.227 -14.602 2.750 377 HB3 GLN 49 2HB GLN 49 -5.947 -14.943 2.693 378 HG2 GLN 49 1HG GLN 49 -6.301 -13.289 1.023 379 HG3 GLN 49 2HG GLN 49 -4.654 -12.680 1.198 380 HE21 GLN 49 1HE2 GLN 49 -2.951 -13.847 0.330 381 HE22 GLN 49 2HE2 GLN 49 -3.192 -15.102 -0.834 382 H ALA 50 H ALA 50 -5.663 -10.621 3.531 383 HA ALA 50 HA ALA 50 -2.826 -10.312 2.907 384 HB1 ALA 50 1HB ALA 50 -3.533 -8.189 1.829 385 HB2 ALA 50 2HB ALA 50 -5.206 -8.615 2.188 386 HB3 ALA 50 3HB ALA 50 -4.248 -9.631 1.113 387 H ASP 51 H ASP 51 -1.822 -8.337 3.522 388 HA ASP 51 HA ASP 51 -2.821 -7.233 6.059 389 HB2 ASP 51 1HB ASP 51 -0.164 -8.238 5.287 390 HB3 ASP 51 2HB ASP 51 -0.143 -6.681 6.111 391 H PHE 52 H PHE 52 -3.210 -5.146 6.084 392 HA PHE 52 HA PHE 52 -2.445 -3.539 3.766 393 HB2 PHE 52 1HB PHE 52 -4.656 -3.394 5.766 394 HB3 PHE 52 2HB PHE 52 -4.118 -1.902 5.003 395 HD1 PHE 52 1HD PHE 52 -4.113 -5.128 3.230 396 HD2 PHE 52 2HD PHE 52 -6.155 -1.478 3.946 397 HE1 PHE 52 1HE PHE 52 -5.585 -5.580 1.311 398 HE2 PHE 52 2HE PHE 52 -7.629 -1.915 2.049 399 HZ PHE 52 HZ PHE 52 -7.351 -3.967 0.717 400 H TYR 53 H TYR 53 -0.761 -2.227 3.978 401 HA TYR 53 HA TYR 53 -0.512 -0.816 6.542 402 HB2 TYR 53 1HB TYR 53 1.849 -1.548 4.800 403 HB3 TYR 53 2HB TYR 53 1.877 -0.844 6.421 404 HD1 TYR 53 2HD TYR 53 0.501 -2.362 8.192 405 HD2 TYR 53 1HD TYR 53 2.423 -3.770 4.684 406 HE1 TYR 53 2HE TYR 53 0.676 -4.592 9.201 407 HE2 TYR 53 1HE TYR 53 2.604 -6.015 5.679 408 HH TYR 53 HH TYR 53 0.876 -7.000 8.325 409 H LYS 54 H LYS 54 -0.354 1.333 6.368 410 HA LYS 54 HA LYS 54 -0.015 2.487 3.665 411 HB2 LYS 54 1HB LYS 54 -2.392 2.343 4.746 412 HB3 LYS 54 2HB LYS 54 -1.831 3.646 5.767 413 HG2 LYS 54 1HG LYS 54 -1.881 5.172 4.087 414 HG3 LYS 54 2HG LYS 54 -1.609 3.971 2.831 415 HD2 LYS 54 1HD LYS 54 -3.947 5.055 3.010 416 HD3 LYS 54 2HD LYS 54 -3.877 3.302 2.791 417 HE2 LYS 54 1HE LYS 54 -5.516 3.942 4.490 418 HE3 LYS 54 2HE LYS 54 -4.209 2.997 5.209 419 HZ1 LYS 54 3HZ LYS 54 -3.228 5.095 5.988 420 HZ2 LYS 54 1HZ LYS 54 -4.783 4.860 6.605 421 HZ3 LYS 54 2HZ LYS 54 -4.535 5.957 5.347 422 H LEU 55 H LEU 55 1.716 3.891 3.628 423 HA LEU 55 HA LEU 55 2.973 4.255 6.269 424 HB2 LEU 55 1HB LEU 55 4.269 4.739 3.620 425 HB3 LEU 55 2HB LEU 55 5.035 4.554 5.181 426 HG LEU 55 HG LEU 55 3.935 2.488 3.378 427 HD11 LEU 55 1HD1 LEU 55 6.308 3.009 3.483 428 HD12 LEU 55 2HD1 LEU 55 5.978 1.366 4.036 429 HD13 LEU 55 3HD1 LEU 55 6.297 2.648 5.210 430 HD21 LEU 55 3HD2 LEU 55 3.917 0.854 5.224 431 HD22 LEU 55 1HD2 LEU 55 2.646 2.069 5.375 432 HD23 LEU 55 2HD2 LEU 55 4.100 2.188 6.358 433 H ASP 56 H ASP 56 4.022 6.225 6.874 434 HA ASP 56 HA ASP 56 2.792 8.613 5.729 435 HB2 ASP 56 1HB ASP 56 4.558 8.162 8.142 436 HB3 ASP 56 2HB ASP 56 4.113 9.764 7.568 437 H VAL 57 H VAL 57 3.739 9.034 3.815 438 HA VAL 57 HA VAL 57 6.352 8.459 3.061 439 HB VAL 57 HB VAL 57 4.154 9.290 1.776 440 HG11 VAL 57 1HG1 VAL 57 4.427 11.492 0.819 441 HG12 VAL 57 2HG1 VAL 57 5.904 11.743 1.747 442 HG13 VAL 57 3HG1 VAL 57 4.356 11.611 2.580 443 HG21 VAL 57 3HG2 VAL 57 5.557 9.525 -0.226 444 HG22 VAL 57 1HG2 VAL 57 5.973 8.126 0.765 445 HG23 VAL 57 2HG2 VAL 57 6.983 9.572 0.811 446 H ASP 58 H ASP 58 5.139 10.962 5.037 447 HA ASP 58 HA ASP 58 7.038 12.992 4.641 448 HB2 ASP 58 1HB ASP 58 4.941 13.299 5.874 449 HB3 ASP 58 2HB ASP 58 5.518 12.223 7.144 450 H GLU 59 H GLU 59 7.013 10.123 6.689 451 HA GLU 59 HA GLU 59 9.788 10.612 7.478 452 HB2 GLU 59 1HB GLU 59 7.814 8.467 8.278 453 HB3 GLU 59 2HB GLU 59 9.481 8.520 8.831 454 HG2 GLU 59 1HG GLU 59 9.047 10.685 9.888 455 HG3 GLU 59 2HG GLU 59 7.368 10.597 9.354 456 H LEU 60 H LEU 60 7.784 8.460 5.576 457 HA LEU 60 HA LEU 60 10.046 6.755 4.921 458 HB2 LEU 60 1HB LEU 60 7.086 6.542 4.354 459 HB3 LEU 60 2HB LEU 60 8.264 5.477 3.607 460 HG LEU 60 HG LEU 60 7.331 4.312 5.447 461 HD11 LEU 60 1HD1 LEU 60 9.750 4.057 5.143 462 HD12 LEU 60 2HD1 LEU 60 9.260 3.853 6.825 463 HD13 LEU 60 3HD1 LEU 60 10.018 5.357 6.308 464 HD21 LEU 60 3HD2 LEU 60 6.402 6.193 6.677 465 HD22 LEU 60 1HD2 LEU 60 8.022 6.682 7.171 466 HD23 LEU 60 2HD2 LEU 60 7.351 5.153 7.738 467 H GLY 61 H GLY 61 10.536 9.205 3.922 468 HA2 GLY 61 1HA GLY 61 9.668 9.444 1.193 469 HA3 GLY 61 2HA GLY 61 10.945 10.370 1.968 470 H ASP 62 H ASP 62 12.493 8.156 2.837 471 HA ASP 62 HA ASP 62 14.082 7.791 0.528 472 HB2 ASP 62 1HB ASP 62 15.481 6.349 1.953 473 HB3 ASP 62 2HB ASP 62 15.070 7.853 2.765 474 H VAL 63 H VAL 63 11.842 5.647 2.241 475 HA VAL 63 HA VAL 63 12.365 3.426 0.528 476 HB VAL 63 HB VAL 63 11.486 2.943 2.713 477 HG11 VAL 63 1HG1 VAL 63 9.097 4.556 1.921 478 HG12 VAL 63 2HG1 VAL 63 10.284 4.952 3.164 479 HG13 VAL 63 3HG1 VAL 63 9.228 3.552 3.366 480 HG21 VAL 63 3HG2 VAL 63 10.839 1.393 0.971 481 HG22 VAL 63 1HG2 VAL 63 9.430 2.388 0.598 482 HG23 VAL 63 2HG2 VAL 63 9.539 1.563 2.154 483 H ALA 64 H ALA 64 9.976 6.006 0.554 484 HA ALA 64 HA ALA 64 8.398 5.175 -1.585 485 HB1 ALA 64 1HB ALA 64 9.209 7.997 -0.892 486 HB2 ALA 64 2HB ALA 64 7.869 7.107 -0.169 487 HB3 ALA 64 3HB ALA 64 7.828 7.523 -1.882 488 H GLN 65 H GLN 65 11.534 6.763 -1.521 489 HA GLN 65 HA GLN 65 11.659 7.190 -4.340 490 HB2 GLN 65 1HB GLN 65 13.795 7.188 -2.197 491 HB3 GLN 65 2HB GLN 65 14.084 7.638 -3.874 492 HG2 GLN 65 1HG GLN 65 12.128 9.006 -2.041 493 HG3 GLN 65 2HG GLN 65 13.767 9.561 -2.359 494 HE21 GLN 65 1HE2 GLN 65 13.067 11.506 -3.215 495 HE22 GLN 65 2HE2 GLN 65 12.310 11.624 -4.765 496 H LYS 66 H LYS 66 12.545 4.605 -2.174 497 HA LYS 66 HA LYS 66 14.120 3.052 -3.862 498 HB2 LYS 66 1HB LYS 66 12.195 2.273 -1.681 499 HB3 LYS 66 2HB LYS 66 13.320 1.166 -2.440 500 HG2 LYS 66 1HG LYS 66 15.188 2.525 -1.619 501 HG3 LYS 66 2HG LYS 66 14.020 3.595 -0.843 502 HD2 LYS 66 1HD LYS 66 14.941 2.026 0.773 503 HD3 LYS 66 2HD LYS 66 13.221 1.738 0.533 504 HE2 LYS 66 1HE LYS 66 14.379 -0.367 0.622 505 HE3 LYS 66 2HE LYS 66 13.773 -0.105 -1.008 506 HZ1 LYS 66 3HZ LYS 66 15.963 0.538 -1.717 507 HZ2 LYS 66 1HZ LYS 66 16.045 -0.972 -0.966 508 HZ3 LYS 66 2HZ LYS 66 16.563 0.407 -0.144 509 H ASN 67 H ASN 67 10.668 3.341 -3.437 510 HA ASN 67 HA ASN 67 10.189 1.212 -5.371 511 HB2 ASN 67 1HB ASN 67 8.368 2.666 -3.455 512 HB3 ASN 67 2HB ASN 67 7.799 1.473 -4.622 513 HD21 ASN 67 1HD2 ASN 67 9.796 1.990 -1.794 514 HD22 ASN 67 2HD2 ASN 67 9.873 0.332 -1.310 515 H GLU 68 H GLU 68 10.968 4.211 -5.746 516 HA GLU 68 HA GLU 68 10.763 5.725 -7.431 517 HB2 GLU 68 1HB GLU 68 9.231 3.532 -8.838 518 HB3 GLU 68 2HB GLU 68 9.999 4.920 -9.594 519 HG2 GLU 68 1HG GLU 68 12.172 4.107 -9.047 520 HG3 GLU 68 2HG GLU 68 11.495 2.817 -8.053 521 H VAL 69 H VAL 69 8.904 5.938 -5.383 522 HA VAL 69 HA VAL 69 6.246 6.192 -6.436 523 HB VAL 69 HB VAL 69 7.449 7.074 -3.810 524 HG11 VAL 69 1HG1 VAL 69 5.149 7.377 -3.025 525 HG12 VAL 69 2HG1 VAL 69 4.551 7.039 -4.649 526 HG13 VAL 69 3HG1 VAL 69 5.527 8.477 -4.351 527 HG21 VAL 69 3HG2 VAL 69 6.223 5.159 -2.903 528 HG22 VAL 69 1HG2 VAL 69 7.389 4.664 -4.131 529 HG23 VAL 69 2HG2 VAL 69 5.672 4.747 -4.528 530 H SER 70 H SER 70 5.805 7.737 -7.840 531 HA SER 70 HA SER 70 6.861 10.436 -7.347 532 HB2 SER 70 1HB SER 70 6.273 10.758 -9.828 533 HB3 SER 70 2HB SER 70 7.656 9.727 -9.459 534 HG SER 70 HG SER 70 6.649 8.109 -10.328 535 H ALA 71 H ALA 71 4.188 8.628 -6.886 536 HA ALA 71 HA ALA 71 2.412 10.950 -7.080 537 HB1 ALA 71 1HB ALA 71 1.976 9.577 -9.054 538 HB2 ALA 71 2HB ALA 71 0.601 9.550 -7.949 539 HB3 ALA 71 3HB ALA 71 1.699 8.173 -8.024 540 H MET 72 H MET 72 0.886 11.087 -5.455 541 HA MET 72 HA MET 72 1.073 9.003 -3.389 542 HB2 MET 72 1HB MET 72 0.150 11.249 -2.070 543 HB3 MET 72 2HB MET 72 1.791 10.629 -2.028 544 HG2 MET 72 1HG MET 72 1.784 13.001 -2.479 545 HG3 MET 72 2HG MET 72 2.407 12.111 -3.864 546 HE1 MET 72 3HE MET 72 -0.538 14.238 -2.413 547 HE2 MET 72 1HE MET 72 -1.336 12.691 -2.700 548 HE3 MET 72 2HE MET 72 -1.760 14.096 -3.677 549 HA PRO 73 HA PRO 73 0.257 7.876 -2.144 550 HB2 PRO 73 1HB PRO 73 -1.330 5.790 -1.692 551 HB3 PRO 73 2HB PRO 73 -1.532 7.297 -0.787 552 HG2 PRO 73 1HG PRO 73 -3.078 6.291 -3.153 553 HG3 PRO 73 2HG PRO 73 -3.683 7.020 -1.653 554 HD2 PRO 73 1HD PRO 73 -3.357 8.412 -3.986 555 HD3 PRO 73 2HD PRO 73 -3.278 9.152 -2.379 556 H THR 74 H THR 74 1.093 5.677 -2.502 557 HA THR 74 HA THR 74 0.601 4.628 -5.198 558 HB THR 74 HB THR 74 3.219 4.703 -3.682 559 HG1 THR 74 1HG THR 74 2.467 6.587 -4.976 560 HG21 THR 74 3HG2 THR 74 4.190 3.540 -5.617 561 HG22 THR 74 1HG2 THR 74 2.579 3.363 -6.312 562 HG23 THR 74 2HG2 THR 74 2.982 2.548 -4.802 563 H LEU 75 H LEU 75 -0.167 2.590 -5.194 564 HA LEU 75 HA LEU 75 -0.169 1.159 -2.629 565 HB2 LEU 75 1HB LEU 75 -2.132 1.499 -4.809 566 HB3 LEU 75 2HB LEU 75 -2.044 -0.085 -4.071 567 HG LEU 75 HG LEU 75 -3.814 1.309 -3.085 568 HD11 LEU 75 1HD1 LEU 75 -1.521 0.654 -1.251 569 HD12 LEU 75 2HD1 LEU 75 -2.863 -0.395 -1.702 570 HD13 LEU 75 3HD1 LEU 75 -3.156 1.037 -0.716 571 HD21 LEU 75 3HD2 LEU 75 -1.551 3.106 -2.224 572 HD22 LEU 75 1HD2 LEU 75 -3.226 3.238 -1.690 573 HD23 LEU 75 2HD2 LEU 75 -2.818 3.501 -3.385 574 H LEU 76 H LEU 76 1.315 -0.388 -2.601 575 HA LEU 76 HA LEU 76 1.549 -2.080 -5.002 576 HB2 LEU 76 1HB LEU 76 3.821 -1.445 -3.112 577 HB3 LEU 76 2HB LEU 76 3.917 -2.304 -4.633 578 HG LEU 76 HG LEU 76 3.355 0.638 -4.286 579 HD11 LEU 76 1HD1 LEU 76 5.750 -0.820 -5.390 580 HD12 LEU 76 2HD1 LEU 76 5.673 0.036 -3.851 581 HD13 LEU 76 3HD1 LEU 76 5.527 0.929 -5.365 582 HD21 LEU 76 3HD2 LEU 76 3.405 -1.135 -6.696 583 HD22 LEU 76 1HD2 LEU 76 3.681 0.603 -6.807 584 HD23 LEU 76 2HD2 LEU 76 2.150 -0.012 -6.184 585 H LEU 77 H LEU 77 0.835 -4.062 -4.559 586 HA LEU 77 HA LEU 77 1.286 -5.037 -1.835 587 HB2 LEU 77 1HB LEU 77 -0.075 -6.997 -3.311 588 HB3 LEU 77 2HB LEU 77 -0.688 -5.998 -2.014 589 HG LEU 77 HG LEU 77 -0.751 -5.167 -4.916 590 HD11 LEU 77 1HD1 LEU 77 -2.057 -7.187 -4.613 591 HD12 LEU 77 2HD1 LEU 77 -3.153 -5.811 -4.752 592 HD13 LEU 77 3HD1 LEU 77 -2.818 -6.514 -3.167 593 HD21 LEU 77 3HD2 LEU 77 -2.204 -3.455 -4.259 594 HD22 LEU 77 1HD2 LEU 77 -0.923 -3.422 -3.047 595 HD23 LEU 77 2HD2 LEU 77 -2.482 -4.166 -2.672 596 H PHE 78 H PHE 78 2.786 -6.413 -1.374 597 HA PHE 78 HA PHE 78 4.340 -7.494 -3.605 598 HB2 PHE 78 1HB PHE 78 5.068 -6.512 -0.881 599 HB3 PHE 78 2HB PHE 78 6.099 -7.700 -1.659 600 HD1 PHE 78 2HD PHE 78 4.591 -4.338 -2.141 601 HD2 PHE 78 1HD PHE 78 7.726 -7.025 -3.175 602 HE1 PHE 78 2HE PHE 78 5.746 -2.528 -3.340 603 HE2 PHE 78 1HE PHE 78 8.886 -5.216 -4.372 604 HZ PHE 78 HZ PHE 78 7.895 -2.965 -4.456 605 H LYS 79 H LYS 79 5.319 -9.568 -3.377 606 HA LYS 79 HA LYS 79 4.417 -11.235 -1.162 607 HB2 LYS 79 1HB LYS 79 2.807 -11.769 -2.815 608 HB3 LYS 79 2HB LYS 79 4.016 -11.787 -4.096 609 HG2 LYS 79 1HG LYS 79 4.984 -13.815 -3.149 610 HG3 LYS 79 2HG LYS 79 3.811 -13.776 -1.834 611 HD2 LYS 79 1HD LYS 79 3.106 -14.014 -4.757 612 HD3 LYS 79 2HD LYS 79 3.229 -15.374 -3.642 613 HE2 LYS 79 1HE LYS 79 1.480 -14.300 -2.238 614 HE3 LYS 79 2HE LYS 79 1.303 -13.062 -3.479 615 HZ1 LYS 79 3HZ LYS 79 0.898 -15.964 -3.930 616 HZ2 LYS 79 1HZ LYS 79 0.612 -14.725 -5.042 617 HZ3 LYS 79 2HZ LYS 79 -0.347 -14.855 -3.656 618 H ASN 80 H ASN 80 6.190 -11.986 -0.276 619 HA ASN 80 HA ASN 80 8.353 -12.505 0.115 620 HB2 ASN 80 1HB ASN 80 9.222 -14.432 -1.033 621 HB3 ASN 80 2HB ASN 80 7.498 -14.644 -0.792 622 HD21 ASN 80 1HD2 ASN 80 6.189 -14.879 -2.534 623 HD22 ASN 80 2HD2 ASN 80 6.765 -14.962 -4.161 624 H GLY 81 H GLY 81 8.085 -10.079 -1.374 625 HA2 GLY 81 1HA GLY 81 9.537 -8.535 -2.281 626 HA3 GLY 81 2HA GLY 81 10.803 -9.748 -2.185 627 H LYS 82 H LYS 82 8.097 -10.884 -3.859 628 HA LYS 82 HA LYS 82 9.484 -10.481 -6.409 629 HB2 LYS 82 1HB LYS 82 9.377 -12.760 -6.186 630 HB3 LYS 82 2HB LYS 82 7.983 -12.695 -5.124 631 HG2 LYS 82 1HG LYS 82 7.296 -13.799 -7.072 632 HG3 LYS 82 2HG LYS 82 6.612 -12.173 -7.130 633 HD2 LYS 82 1HD LYS 82 8.439 -11.480 -8.633 634 HD3 LYS 82 2HD LYS 82 9.077 -13.124 -8.597 635 HE2 LYS 82 1HE LYS 82 6.371 -12.290 -9.628 636 HE3 LYS 82 2HE LYS 82 7.764 -12.728 -10.614 637 HZ1 LYS 82 3HZ LYS 82 6.229 -14.564 -10.415 638 HZ2 LYS 82 1HZ LYS 82 6.339 -14.524 -8.730 639 HZ3 LYS 82 2HZ LYS 82 7.688 -14.947 -9.653 640 H GLU 83 H GLU 83 7.114 -9.279 -4.585 641 HA GLU 83 HA GLU 83 5.396 -7.860 -4.907 642 HB2 GLU 83 1HB GLU 83 6.022 -8.135 -7.843 643 HB3 GLU 83 2HB GLU 83 4.884 -6.984 -7.161 644 HG2 GLU 83 1HG GLU 83 6.664 -5.852 -5.999 645 HG3 GLU 83 2HG GLU 83 7.827 -7.058 -6.551 646 H VAL 84 H VAL 84 3.236 -7.719 -6.217 647 HA VAL 84 HA VAL 84 2.379 -10.219 -7.357 648 HB VAL 84 HB VAL 84 1.902 -10.150 -4.793 649 HG11 VAL 84 1HG1 VAL 84 -0.356 -8.476 -5.854 650 HG12 VAL 84 2HG1 VAL 84 0.849 -8.008 -4.656 651 HG13 VAL 84 3HG1 VAL 84 -0.342 -9.253 -4.273 652 HG21 VAL 84 3HG2 VAL 84 -0.133 -11.479 -5.140 653 HG22 VAL 84 1HG2 VAL 84 1.170 -11.919 -6.245 654 HG23 VAL 84 2HG2 VAL 84 -0.174 -10.931 -6.817 655 H ALA 85 H ALA 85 1.899 -6.857 -6.583 656 HA ALA 85 HA ALA 85 0.810 -6.376 -9.219 657 HB1 ALA 85 1HB ALA 85 -0.837 -5.873 -6.760 658 HB2 ALA 85 2HB ALA 85 -1.285 -6.793 -8.200 659 HB3 ALA 85 3HB ALA 85 -1.108 -5.035 -8.286 660 H LYS 86 H LYS 86 0.607 -4.054 -9.664 661 HA LYS 86 HA LYS 86 2.058 -2.362 -7.804 662 HB2 LYS 86 1HB LYS 86 3.668 -3.471 -9.442 663 HB3 LYS 86 2HB LYS 86 2.882 -2.544 -10.707 664 HG2 LYS 86 1HG LYS 86 4.126 -1.224 -8.326 665 HG3 LYS 86 2HG LYS 86 5.067 -1.651 -9.751 666 HD2 LYS 86 1HD LYS 86 3.636 -0.244 -11.125 667 HD3 LYS 86 2HD LYS 86 2.636 0.137 -9.721 668 HE2 LYS 86 1HE LYS 86 4.134 1.967 -10.083 669 HE3 LYS 86 2HE LYS 86 4.654 1.111 -8.635 670 HZ1 LYS 86 3HZ LYS 86 6.531 1.672 -10.014 671 HZ2 LYS 86 1HZ LYS 86 5.858 0.858 -11.334 672 HZ3 LYS 86 2HZ LYS 86 6.350 -0.007 -9.966 673 H VAL 87 H VAL 87 0.808 -0.626 -7.521 674 HA VAL 87 HA VAL 87 -0.334 0.673 -9.908 675 HB VAL 87 HB VAL 87 -1.803 0.651 -7.263 676 HG11 VAL 87 1HG1 VAL 87 -2.635 1.374 -10.074 677 HG12 VAL 87 2HG1 VAL 87 -2.300 2.499 -8.754 678 HG13 VAL 87 3HG1 VAL 87 -3.684 1.407 -8.658 679 HG21 VAL 87 3HG2 VAL 87 -2.453 -1.110 -9.629 680 HG22 VAL 87 1HG2 VAL 87 -3.328 -1.019 -8.096 681 HG23 VAL 87 2HG2 VAL 87 -1.685 -1.670 -8.144 682 H VAL 88 H VAL 88 -0.369 2.896 -9.852 683 HA VAL 88 HA VAL 88 0.757 4.267 -7.571 684 HB VAL 88 HB VAL 88 2.760 3.446 -8.518 685 HG11 VAL 88 1HG1 VAL 88 1.849 4.468 -11.199 686 HG12 VAL 88 2HG1 VAL 88 1.817 2.778 -10.680 687 HG13 VAL 88 3HG1 VAL 88 3.363 3.629 -10.853 688 HG21 VAL 88 3HG2 VAL 88 3.933 5.481 -9.226 689 HG22 VAL 88 1HG2 VAL 88 2.874 5.779 -7.844 690 HG23 VAL 88 2HG2 VAL 88 2.381 6.287 -9.462 691 H GLY 89 H GLY 89 -1.184 5.451 -7.630 692 HA2 GLY 89 1HA GLY 89 -1.046 7.963 -8.599 693 HA3 GLY 89 2HA GLY 89 -1.757 7.092 -9.948 694 H ALA 90 H ALA 90 -2.206 7.032 -6.412 695 HA ALA 90 HA ALA 90 -4.058 7.135 -5.104 696 HB1 ALA 90 1HB ALA 90 -5.075 8.946 -7.288 697 HB2 ALA 90 2HB ALA 90 -4.077 9.440 -5.920 698 HB3 ALA 90 3HB ALA 90 -5.713 8.840 -5.648 699 H ASN 91 H ASN 91 -4.650 4.965 -5.274 700 HA ASN 91 HA ASN 91 -6.854 4.466 -7.142 701 HB2 ASN 91 1HB ASN 91 -6.059 2.113 -7.317 702 HB3 ASN 91 2HB ASN 91 -4.956 3.292 -8.009 703 HD21 ASN 91 1HD2 ASN 91 -4.725 0.516 -6.774 704 HD22 ASN 91 2HD2 ASN 91 -3.399 0.669 -5.681 705 HA PRO 92 HA PRO 92 -8.716 2.888 -3.308 706 HB2 PRO 92 1HB PRO 92 -11.106 4.293 -3.995 707 HB3 PRO 92 2HB PRO 92 -10.033 4.607 -2.634 708 HG2 PRO 92 1HG PRO 92 -10.436 6.286 -4.821 709 HG3 PRO 92 2HG PRO 92 -9.104 6.395 -3.659 710 HD2 PRO 92 1HD PRO 92 -9.143 5.273 -6.414 711 HD3 PRO 92 2HD PRO 92 -7.812 6.041 -5.524 712 H ALA 93 H ALA 93 -9.708 3.473 -6.626 713 HA ALA 93 HA ALA 93 -11.577 1.250 -6.636 714 HB1 ALA 93 1HB ALA 93 -12.112 1.929 -8.889 715 HB2 ALA 93 2HB ALA 93 -10.758 3.056 -8.904 716 HB3 ALA 93 3HB ALA 93 -12.125 3.336 -7.827 717 H ALA 94 H ALA 94 -8.557 2.160 -8.293 718 HA ALA 94 HA ALA 94 -8.310 -0.367 -9.600 719 HB1 ALA 94 1HB ALA 94 -6.122 0.381 -10.311 720 HB2 ALA 94 2HB ALA 94 -6.189 1.733 -9.181 721 HB3 ALA 94 3HB ALA 94 -7.312 1.663 -10.537 722 H ILE 95 H ILE 95 -7.458 0.742 -6.419 723 HA ILE 95 HA ILE 95 -5.527 -1.231 -5.858 724 HB ILE 95 HB ILE 95 -6.208 0.595 -4.223 725 HG12 ILE 95 1HG1 ILE 95 -5.601 -0.700 -2.303 726 HG13 ILE 95 2HG1 ILE 95 -6.269 -2.172 -2.999 727 HG21 ILE 95 1HG2 ILE 95 -8.423 -1.338 -3.564 728 HG22 ILE 95 2HG2 ILE 95 -8.628 0.252 -4.316 729 HG23 ILE 95 3HG2 ILE 95 -8.015 0.132 -2.667 730 HD11 ILE 95 3HD1 ILE 95 -3.885 -0.707 -4.102 731 HD12 ILE 95 1HD1 ILE 95 -4.483 -2.292 -4.582 732 HD13 ILE 95 2HD1 ILE 95 -3.790 -2.060 -2.977 733 H LYS 96 H LYS 96 -8.998 -1.209 -6.007 734 HA LYS 96 HA LYS 96 -9.499 -3.695 -4.895 735 HB2 LYS 96 1HB LYS 96 -11.129 -1.817 -5.475 736 HB3 LYS 96 2HB LYS 96 -11.121 -2.472 -7.108 737 HG2 LYS 96 1HG LYS 96 -13.009 -3.321 -5.874 738 HG3 LYS 96 2HG LYS 96 -11.862 -4.611 -6.235 739 HD2 LYS 96 1HD LYS 96 -10.975 -4.548 -4.002 740 HD3 LYS 96 2HD LYS 96 -11.958 -3.128 -3.623 741 HE2 LYS 96 1HE LYS 96 -12.922 -5.174 -2.681 742 HE3 LYS 96 2HE LYS 96 -13.992 -4.419 -3.860 743 HZ1 LYS 96 3HZ LYS 96 -13.199 -6.031 -5.507 744 HZ2 LYS 96 1HZ LYS 96 -13.940 -6.784 -4.188 745 HZ3 LYS 96 2HZ LYS 96 -12.256 -6.780 -4.321 746 H GLN 97 H GLN 97 -8.527 -2.726 -8.103 747 HA GLN 97 HA GLN 97 -8.785 -5.169 -9.438 748 HB2 GLN 97 1HB GLN 97 -8.287 -3.127 -10.635 749 HB3 GLN 97 2HB GLN 97 -6.779 -2.919 -9.762 750 HG2 GLN 97 1HG GLN 97 -7.056 -5.427 -11.298 751 HG3 GLN 97 2HG GLN 97 -6.961 -3.942 -12.240 752 HE21 GLN 97 1HE2 GLN 97 -5.249 -6.157 -10.208 753 HE22 GLN 97 2HE2 GLN 97 -3.683 -5.441 -10.388 754 H ALA 98 H ALA 98 -5.987 -3.826 -7.676 755 HA ALA 98 HA ALA 98 -4.485 -6.257 -7.891 756 HB1 ALA 98 1HB ALA 98 -4.001 -3.902 -6.060 757 HB2 ALA 98 2HB ALA 98 -3.429 -4.015 -7.721 758 HB3 ALA 98 3HB ALA 98 -2.819 -5.137 -6.504 759 H ILE 99 H ILE 99 -6.623 -4.916 -5.604 760 HA ILE 99 HA ILE 99 -5.765 -6.416 -3.350 761 HB ILE 99 HB ILE 99 -7.163 -4.112 -3.709 762 HG12 ILE 99 1HG1 ILE 99 -5.885 -5.093 -1.702 763 HG13 ILE 99 2HG1 ILE 99 -7.189 -3.947 -1.378 764 HG21 ILE 99 1HG2 ILE 99 -9.227 -5.922 -2.565 765 HG22 ILE 99 2HG2 ILE 99 -9.198 -5.463 -4.266 766 HG23 ILE 99 3HG2 ILE 99 -9.364 -4.217 -3.019 767 HD11 ILE 99 3HD1 ILE 99 -7.035 -6.160 -0.027 768 HD12 ILE 99 1HD1 ILE 99 -7.756 -6.867 -1.482 769 HD13 ILE 99 2HD1 ILE 99 -8.603 -5.583 -0.605 770 H ALA 100 H ALA 100 -8.317 -6.746 -5.708 771 HA ALA 100 HA ALA 100 -9.513 -8.948 -4.263 772 HB1 ALA 100 1HB ALA 100 -10.948 -7.343 -5.453 773 HB2 ALA 100 2HB ALA 100 -11.180 -8.993 -6.030 774 HB3 ALA 100 3HB ALA 100 -10.232 -7.850 -6.982 775 H ALA 101 H ALA 101 -7.733 -8.401 -7.263 776 HA ALA 101 HA ALA 101 -7.929 -11.067 -8.193 777 HB1 ALA 101 1HB ALA 101 -6.286 -10.425 -9.853 778 HB2 ALA 101 2HB ALA 101 -5.912 -8.960 -8.945 779 HB3 ALA 101 3HB ALA 101 -7.504 -9.162 -9.676 780 H ASN 102 H ASN 102 -5.513 -9.353 -6.247 781 HA ASN 102 HA ASN 102 -3.833 -11.768 -6.356 782 HB2 ASN 102 1HB ASN 102 -3.157 -9.054 -5.222 783 HB3 ASN 102 2HB ASN 102 -2.047 -10.410 -5.404 784 HD21 ASN 102 1HD2 ASN 102 -3.612 -7.801 -6.920 785 HD22 ASN 102 2HD2 ASN 102 -2.900 -7.977 -8.492 786 H ALA 103 H ALA 103 -4.693 -9.440 -3.790 787 HA ALA 103 HA ALA 103 -4.308 -11.208 -1.646 788 HB1 ALA 103 1HB ALA 103 -6.207 -8.864 -1.762 789 HB2 ALA 103 2HB ALA 103 -4.487 -8.756 -1.398 790 HB3 ALA 103 3HB ALA 103 -5.569 -9.620 -0.304 Start of MODEL 13 1 H1 MET 1 1H MET 1 -7.526 -2.439 12.093 2 H2 MET 1 2H MET 1 -8.374 -2.493 10.632 3 H3 MET 1 3H MET 1 -9.031 -1.684 11.959 4 HA MET 1 HA MET 1 -8.121 -0.150 10.313 5 HB2 MET 1 1HB MET 1 -7.926 -0.029 13.020 6 HB3 MET 1 2HB MET 1 -6.231 0.106 12.580 7 HG2 MET 1 1HG MET 1 -8.453 1.896 11.621 8 HG3 MET 1 2HG MET 1 -7.272 2.287 12.867 9 HE1 MET 1 3HE MET 1 -7.863 4.174 10.396 10 HE2 MET 1 1HE MET 1 -6.226 4.636 9.928 11 HE3 MET 1 2HE MET 1 -6.662 4.541 11.633 12 H VAL 2 H VAL 2 -6.412 0.436 8.991 13 HA VAL 2 HA VAL 2 -4.448 -1.636 8.556 14 HB VAL 2 HB VAL 2 -4.662 -1.010 6.427 15 HG11 VAL 2 1HG1 VAL 2 -6.073 0.798 5.682 16 HG12 VAL 2 2HG1 VAL 2 -6.088 1.485 7.310 17 HG13 VAL 2 3HG1 VAL 2 -6.838 -0.084 7.006 18 HG21 VAL 2 3HG2 VAL 2 -3.638 1.725 7.121 19 HG22 VAL 2 1HG2 VAL 2 -3.517 0.882 5.577 20 HG23 VAL 2 2HG2 VAL 2 -2.610 0.302 6.972 21 H THR 3 H THR 3 -2.385 -1.615 9.025 22 HA THR 3 HA THR 3 -1.446 0.197 11.012 23 HB THR 3 HB THR 3 -0.645 -2.364 9.876 24 HG1 THR 3 1HG THR 3 0.008 -2.675 12.042 25 HG21 THR 3 3HG2 THR 3 1.734 -2.226 10.370 26 HG22 THR 3 1HG2 THR 3 1.572 -0.510 10.756 27 HG23 THR 3 2HG2 THR 3 1.300 -1.070 9.100 28 H GLN 4 H GLN 4 0.242 1.613 10.941 29 HA GLN 4 HA GLN 4 1.205 2.386 8.274 30 HB2 GLN 4 1HB GLN 4 1.733 4.602 9.618 31 HB3 GLN 4 2HB GLN 4 0.143 4.310 8.931 32 HG2 GLN 4 1HG GLN 4 -0.742 4.614 10.929 33 HG3 GLN 4 2HG GLN 4 0.108 3.185 11.506 34 HE21 GLN 4 1HE2 GLN 4 2.749 4.322 11.230 35 HE22 GLN 4 2HE2 GLN 4 2.914 5.502 12.484 36 H PHE 5 H PHE 5 3.220 1.702 7.947 37 HA PHE 5 HA PHE 5 4.974 0.940 10.052 38 HB2 PHE 5 1HB PHE 5 5.564 1.487 7.137 39 HB3 PHE 5 2HB PHE 5 6.738 0.851 8.275 40 HD1 PHE 5 1HD PHE 5 4.704 -0.972 9.728 41 HD2 PHE 5 2HD PHE 5 5.660 -0.337 5.636 42 HE1 PHE 5 1HE PHE 5 3.984 -3.266 9.206 43 HE2 PHE 5 2HE PHE 5 4.946 -2.631 5.096 44 HZ PHE 5 HZ PHE 5 4.104 -4.096 6.892 45 H LYS 6 H LYS 6 7.164 1.884 10.320 46 HA LYS 6 HA LYS 6 7.092 4.805 10.098 47 HB2 LYS 6 1HB LYS 6 8.134 4.869 12.392 48 HB3 LYS 6 2HB LYS 6 6.449 4.373 12.339 49 HG2 LYS 6 1HG LYS 6 7.279 1.989 12.395 50 HG3 LYS 6 2HG LYS 6 8.873 2.651 12.762 51 HD2 LYS 6 1HD LYS 6 7.712 1.997 14.804 52 HD3 LYS 6 2HD LYS 6 7.955 3.745 14.756 53 HE2 LYS 6 1HE LYS 6 5.671 4.107 14.117 54 HE3 LYS 6 2HE LYS 6 5.404 2.377 13.916 55 HZ1 LYS 6 3HZ LYS 6 4.482 3.136 15.992 56 HZ2 LYS 6 1HZ LYS 6 5.973 3.776 16.471 57 HZ3 LYS 6 2HZ LYS 6 5.785 2.106 16.302 58 H THR 7 H THR 7 8.803 1.929 9.652 59 HA THR 7 HA THR 7 11.192 3.467 9.002 60 HB THR 7 HB THR 7 12.643 1.663 9.838 61 HG1 THR 7 1HG THR 7 11.830 -0.074 10.772 62 HG21 THR 7 3HG2 THR 7 12.439 2.188 12.224 63 HG22 THR 7 1HG2 THR 7 10.842 2.874 11.934 64 HG23 THR 7 2HG2 THR 7 12.269 3.633 11.230 65 H ALA 8 H ALA 8 12.491 2.641 7.362 66 HA ALA 8 HA ALA 8 11.182 1.322 5.258 67 HB1 ALA 8 1HB ALA 8 13.132 2.788 4.940 68 HB2 ALA 8 2HB ALA 8 13.386 1.202 4.211 69 HB3 ALA 8 3HB ALA 8 14.153 1.598 5.748 70 H SER 9 H SER 9 13.006 0.223 7.988 71 HA SER 9 HA SER 9 13.429 -2.438 7.150 72 HB2 SER 9 1HB SER 9 13.623 -2.779 9.719 73 HB3 SER 9 2HB SER 9 14.804 -1.751 8.907 74 HG SER 9 HG SER 9 14.154 -0.181 10.117 75 H GLU 10 H GLU 10 10.746 -0.812 8.846 76 HA GLU 10 HA GLU 10 9.345 -3.199 9.516 77 HB2 GLU 10 1HB GLU 10 8.301 -0.421 8.944 78 HB3 GLU 10 2HB GLU 10 7.294 -1.736 9.525 79 HG2 GLU 10 1HG GLU 10 9.597 -0.439 10.952 80 HG3 GLU 10 2HG GLU 10 7.886 -0.332 11.361 81 H PHE 11 H PHE 11 9.183 -1.058 6.743 82 HA PHE 11 HA PHE 11 7.228 -2.443 5.271 83 HB2 PHE 11 1HB PHE 11 7.546 -0.297 4.550 84 HB3 PHE 11 2HB PHE 11 9.293 -0.361 4.730 85 HD1 PHE 11 1HD PHE 11 6.460 -1.111 2.546 86 HD2 PHE 11 2HD PHE 11 10.692 -1.095 2.926 87 HE1 PHE 11 1HE PHE 11 6.670 -1.386 0.110 88 HE2 PHE 11 2HE PHE 11 10.917 -1.378 0.490 89 HZ PHE 11 HZ PHE 11 8.902 -1.520 -0.922 90 H ASP 12 H ASP 12 10.761 -2.608 5.220 91 HA ASP 12 HA ASP 12 11.094 -4.335 3.064 92 HB2 ASP 12 1HB ASP 12 12.976 -3.169 4.008 93 HB3 ASP 12 2HB ASP 12 12.770 -3.987 5.554 94 H SER 13 H SER 13 10.773 -5.155 6.520 95 HA SER 13 HA SER 13 11.099 -7.934 6.101 96 HB2 SER 13 1HB SER 13 9.782 -6.488 8.411 97 HB3 SER 13 2HB SER 13 10.296 -8.175 8.417 98 HG SER 13 HG SER 13 12.305 -6.550 7.620 99 H ALA 14 H ALA 14 8.249 -5.858 6.194 100 HA ALA 14 HA ALA 14 6.339 -7.937 6.202 101 HB1 ALA 14 1HB ALA 14 6.146 -5.116 5.162 102 HB2 ALA 14 2HB ALA 14 5.652 -5.702 6.753 103 HB3 ALA 14 3HB ALA 14 4.781 -6.221 5.307 104 H ILE 15 H ILE 15 7.730 -6.037 3.532 105 HA ILE 15 HA ILE 15 6.181 -7.293 1.541 106 HB ILE 15 HB ILE 15 7.670 -6.240 -0.068 107 HG12 ILE 15 1HG1 ILE 15 9.311 -5.225 2.243 108 HG13 ILE 15 2HG1 ILE 15 9.746 -6.690 1.376 109 HG21 ILE 15 1HG2 ILE 15 5.918 -4.909 1.009 110 HG22 ILE 15 2HG2 ILE 15 7.326 -3.923 0.614 111 HG23 ILE 15 3HG2 ILE 15 7.052 -4.445 2.277 112 HD11 ILE 15 3HD1 ILE 15 9.910 -5.403 -0.695 113 HD12 ILE 15 1HD1 ILE 15 10.987 -4.780 0.554 114 HD13 ILE 15 2HD1 ILE 15 9.480 -3.941 0.190 115 H ALA 16 H ALA 16 9.026 -8.282 3.211 116 HA ALA 16 HA ALA 16 9.934 -10.093 1.156 117 HB1 ALA 16 1HB ALA 16 11.481 -9.043 2.771 118 HB2 ALA 16 2HB ALA 16 11.585 -10.804 2.761 119 HB3 ALA 16 3HB ALA 16 10.721 -9.981 4.059 120 H GLN 17 H GLN 17 7.428 -10.167 3.337 121 HA GLN 17 HA GLN 17 7.568 -12.932 4.074 122 HB2 GLN 17 1HB GLN 17 5.350 -10.893 4.250 123 HB3 GLN 17 2HB GLN 17 5.197 -12.540 4.837 124 HG2 GLN 17 1HG GLN 17 7.015 -12.170 6.406 125 HG3 GLN 17 2HG GLN 17 7.215 -10.527 5.796 126 HE21 GLN 17 1HE2 GLN 17 4.100 -12.046 6.201 127 HE22 GLN 17 2HE2 GLN 17 3.572 -11.049 7.514 128 H ASP 18 H ASP 18 6.247 -14.626 3.319 129 HA ASP 18 HA ASP 18 5.953 -14.600 0.479 130 HB2 ASP 18 1HB ASP 18 6.768 -16.568 1.742 131 HB3 ASP 18 2HB ASP 18 5.176 -16.746 2.466 132 H LYS 19 H LYS 19 4.022 -13.139 2.490 133 HA LYS 19 HA LYS 19 1.526 -14.108 1.266 134 HB2 LYS 19 1HB LYS 19 0.326 -13.370 3.094 135 HB3 LYS 19 2HB LYS 19 1.660 -14.314 3.723 136 HG2 LYS 19 1HG LYS 19 2.837 -12.221 4.278 137 HG3 LYS 19 2HG LYS 19 1.432 -11.310 3.708 138 HD2 LYS 19 1HD LYS 19 1.567 -13.235 6.022 139 HD3 LYS 19 2HD LYS 19 1.225 -11.505 6.076 140 HE2 LYS 19 1HE LYS 19 -0.509 -13.434 4.558 141 HE3 LYS 19 2HE LYS 19 -0.762 -13.104 6.277 142 HZ1 LYS 19 3HZ LYS 19 -1.084 -10.779 5.757 143 HZ2 LYS 19 1HZ LYS 19 -2.166 -11.732 4.861 144 HZ3 LYS 19 2HZ LYS 19 -0.797 -11.072 4.113 145 H LEU 20 H LEU 20 -0.170 -12.242 1.439 146 HA LEU 20 HA LEU 20 0.758 -10.283 -0.453 147 HB2 LEU 20 1HB LEU 20 -1.558 -11.423 -0.334 148 HB3 LEU 20 2HB LEU 20 -1.914 -10.266 0.923 149 HG LEU 20 HG LEU 20 -2.856 -9.535 -1.179 150 HD11 LEU 20 1HD1 LEU 20 -1.948 -7.303 -1.342 151 HD12 LEU 20 2HD1 LEU 20 -0.500 -7.805 -0.471 152 HD13 LEU 20 3HD1 LEU 20 -2.064 -7.804 0.344 153 HD21 LEU 20 3HD2 LEU 20 -1.369 -10.658 -2.726 154 HD22 LEU 20 1HD2 LEU 20 -0.050 -9.585 -2.261 155 HD23 LEU 20 2HD2 LEU 20 -1.461 -8.936 -3.097 156 H VAL 21 H VAL 21 2.080 -8.718 0.361 157 HA VAL 21 HA VAL 21 0.899 -7.189 2.620 158 HB VAL 21 HB VAL 21 3.772 -7.241 1.667 159 HG11 VAL 21 1HG1 VAL 21 4.259 -5.573 3.374 160 HG12 VAL 21 2HG1 VAL 21 2.552 -5.505 3.819 161 HG13 VAL 21 3HG1 VAL 21 3.068 -4.938 2.231 162 HG21 VAL 21 3HG2 VAL 21 4.203 -8.045 3.939 163 HG22 VAL 21 1HG2 VAL 21 3.088 -9.112 3.085 164 HG23 VAL 21 2HG2 VAL 21 2.476 -7.982 4.294 165 H VAL 22 H VAL 22 -0.411 -5.659 1.810 166 HA VAL 22 HA VAL 22 0.526 -4.119 -0.459 167 HB VAL 22 HB VAL 22 -1.620 -4.386 -0.996 168 HG11 VAL 22 1HG1 VAL 22 -2.174 -5.878 0.766 169 HG12 VAL 22 2HG1 VAL 22 -3.478 -4.710 0.566 170 HG13 VAL 22 3HG1 VAL 22 -2.341 -4.545 1.908 171 HG21 VAL 22 3HG2 VAL 22 -1.468 -1.995 -0.747 172 HG22 VAL 22 1HG2 VAL 22 -1.925 -2.114 0.952 173 HG23 VAL 22 2HG2 VAL 22 -3.088 -2.538 -0.305 174 H VAL 23 H VAL 23 1.885 -2.617 -0.048 175 HA VAL 23 HA VAL 23 1.596 -0.908 2.323 176 HB VAL 23 HB VAL 23 3.893 -1.227 0.371 177 HG11 VAL 23 1HG1 VAL 23 5.180 0.200 1.810 178 HG12 VAL 23 2HG1 VAL 23 3.835 0.343 2.939 179 HG13 VAL 23 3HG1 VAL 23 3.714 1.056 1.330 180 HG21 VAL 23 3HG2 VAL 23 5.046 -2.302 2.235 181 HG22 VAL 23 1HG2 VAL 23 3.561 -3.156 1.831 182 HG23 VAL 23 2HG2 VAL 23 3.614 -2.104 3.244 183 H ALA 24 H ALA 24 1.377 1.314 2.144 184 HA ALA 24 HA ALA 24 0.924 2.448 -0.546 185 HB1 ALA 24 1HB ALA 24 -0.896 3.793 0.509 186 HB2 ALA 24 2HB ALA 24 -0.755 2.742 1.914 187 HB3 ALA 24 3HB ALA 24 -1.228 2.071 0.359 188 H PHE 25 H PHE 25 1.735 4.335 -0.983 189 HA PHE 25 HA PHE 25 3.253 5.707 1.118 190 HB2 PHE 25 1HB PHE 25 3.340 5.881 -1.894 191 HB3 PHE 25 2HB PHE 25 4.305 6.904 -0.830 192 HD1 PHE 25 2HD PHE 25 5.363 5.191 1.164 193 HD2 PHE 25 1HD PHE 25 4.650 4.334 -2.942 194 HE1 PHE 25 2HE PHE 25 7.088 3.438 1.230 195 HE2 PHE 25 1HE PHE 25 6.371 2.580 -2.881 196 HZ PHE 25 HZ PHE 25 7.589 2.129 -0.796 197 H TYR 26 H TYR 26 2.027 7.152 2.140 198 HA TYR 26 HA TYR 26 0.181 8.809 0.556 199 HB2 TYR 26 1HB TYR 26 -0.379 7.143 2.971 200 HB3 TYR 26 2HB TYR 26 -1.261 8.655 2.763 201 HD1 TYR 26 2HD TYR 26 -0.227 5.805 0.578 202 HD2 TYR 26 1HD TYR 26 -3.333 8.415 1.820 203 HE1 TYR 26 2HE TYR 26 -1.754 4.737 -1.016 204 HE2 TYR 26 1HE TYR 26 -4.870 7.354 0.233 205 HH TYR 26 HH TYR 26 -4.114 4.453 -1.417 206 H ALA 27 H ALA 27 -0.771 10.573 2.139 207 HA ALA 27 HA ALA 27 1.184 11.612 4.000 208 HB1 ALA 27 1HB ALA 27 0.531 13.107 1.460 209 HB2 ALA 27 2HB ALA 27 2.080 12.361 1.852 210 HB3 ALA 27 3HB ALA 27 1.492 13.724 2.805 211 H THR 28 H THR 28 0.245 12.948 5.490 212 HA THR 28 HA THR 28 -2.607 12.948 5.598 213 HB THR 28 HB THR 28 -2.217 14.376 7.671 214 HG1 THR 28 1HG THR 28 0.380 13.670 7.925 215 HG21 THR 28 3HG2 THR 28 -0.829 11.701 7.467 216 HG22 THR 28 1HG2 THR 28 -2.545 11.961 7.784 217 HG23 THR 28 2HG2 THR 28 -1.342 12.479 8.965 218 H TRP 29 H TRP 29 -0.484 14.902 3.987 219 HA TRP 29 HA TRP 29 -2.239 17.241 4.139 220 HB2 TRP 29 1HB TRP 29 -0.252 18.323 2.857 221 HB3 TRP 29 2HB TRP 29 -0.107 18.031 4.585 222 HD1 TRP 29 HD TRP 29 1.542 16.088 5.369 223 HE1 TRP 29 1HE TRP 29 3.560 14.989 4.215 224 HE3 TRP 29 3HE TRP 29 0.627 17.567 0.563 225 HZ2 TRP 29 2HZ TRP 29 4.619 14.769 1.609 226 HZ3 TRP 29 3HZ TRP 29 2.191 16.865 -1.202 227 HH2 TRP 29 HH TRP 29 4.145 15.497 -0.688 228 H CYS 30 H CYS 30 -2.533 14.661 2.517 229 HA CYS 30 HA CYS 30 -2.926 16.035 -0.050 230 HB2 CYS 30 1HB CYS 30 -1.734 14.504 -1.122 231 HB3 CYS 30 2HB CYS 30 -1.307 13.771 0.423 232 H GLY 31 H GLY 31 -4.836 15.971 -0.944 233 HA2 GLY 31 1HA GLY 31 -7.100 15.216 0.571 234 HA3 GLY 31 2HA GLY 31 -7.107 15.814 -1.075 235 HA PRO 32 HA PRO 32 -7.725 11.711 -2.708 236 HB2 PRO 32 1HB PRO 32 -4.955 10.856 -3.261 237 HB3 PRO 32 2HB PRO 32 -6.299 11.089 -4.384 238 HG2 PRO 32 1HG PRO 32 -4.240 12.781 -4.346 239 HG3 PRO 32 2HG PRO 32 -5.898 13.362 -4.598 240 HD2 PRO 32 1HD PRO 32 -4.261 13.358 -2.082 241 HD3 PRO 32 2HD PRO 32 -5.221 14.673 -2.762 242 H CYS 33 H CYS 33 -4.917 11.823 -0.625 243 HA CYS 33 HA CYS 33 -4.874 9.240 0.414 244 HB2 CYS 33 1HB CYS 33 -4.380 11.820 1.917 245 HB3 CYS 33 2HB CYS 33 -3.825 10.223 2.400 246 H LYS 34 H LYS 34 -6.886 11.991 1.273 247 HA LYS 34 HA LYS 34 -8.079 10.851 3.537 248 HB2 LYS 34 1HB LYS 34 -8.180 13.237 3.096 249 HB3 LYS 34 2HB LYS 34 -9.124 12.957 1.643 250 HG2 LYS 34 1HG LYS 34 -10.605 13.717 3.330 251 HG3 LYS 34 2HG LYS 34 -10.927 12.005 3.081 252 HD2 LYS 34 1HD LYS 34 -9.003 12.786 5.218 253 HD3 LYS 34 2HD LYS 34 -10.720 13.051 5.506 254 HE2 LYS 34 1HE LYS 34 -11.140 10.671 5.005 255 HE3 LYS 34 2HE LYS 34 -9.409 10.427 4.798 256 HZ1 LYS 34 3HZ LYS 34 -9.057 11.017 7.087 257 HZ2 LYS 34 1HZ LYS 34 -10.199 9.775 7.004 258 HZ3 LYS 34 2HZ LYS 34 -10.696 11.362 7.301 259 H MET 35 H MET 35 -9.335 11.089 0.176 260 HA MET 35 HA MET 35 -11.788 9.868 0.711 261 HB2 MET 35 1HB MET 35 -11.970 9.449 -1.695 262 HB3 MET 35 2HB MET 35 -11.420 11.078 -1.343 263 HG2 MET 35 1HG MET 35 -9.108 10.337 -1.811 264 HG3 MET 35 2HG MET 35 -9.751 8.765 -2.270 265 HE1 MET 35 3HE MET 35 -12.444 9.552 -3.796 266 HE2 MET 35 1HE MET 35 -11.295 8.352 -4.388 267 HE3 MET 35 2HE MET 35 -11.857 9.637 -5.457 268 H ILE 36 H ILE 36 -8.801 8.261 -0.422 269 HA ILE 36 HA ILE 36 -10.137 5.735 -0.505 270 HB ILE 36 HB ILE 36 -8.429 5.528 -1.969 271 HG12 ILE 36 1HG1 ILE 36 -8.050 3.898 0.002 272 HG13 ILE 36 2HG1 ILE 36 -6.798 4.055 -1.213 273 HG21 ILE 36 1HG2 ILE 36 -7.555 7.720 -1.766 274 HG22 ILE 36 2HG2 ILE 36 -6.203 6.586 -1.731 275 HG23 ILE 36 3HG2 ILE 36 -6.776 7.327 -0.235 276 HD11 ILE 36 3HD1 ILE 36 -6.012 3.958 1.168 277 HD12 ILE 36 1HD1 ILE 36 -6.754 5.543 1.403 278 HD13 ILE 36 2HD1 ILE 36 -5.436 5.345 0.245 279 H ALA 37 H ALA 37 -8.599 7.602 1.913 280 HA ALA 37 HA ALA 37 -7.507 5.608 3.485 281 HB1 ALA 37 1HB ALA 37 -7.096 8.020 3.750 282 HB2 ALA 37 2HB ALA 37 -7.444 7.187 5.275 283 HB3 ALA 37 3HB ALA 37 -8.685 8.178 4.511 284 HA PRO 38 HA PRO 38 -11.682 4.835 5.662 285 HB2 PRO 38 1HB PRO 38 -13.772 6.025 4.001 286 HB3 PRO 38 2HB PRO 38 -13.520 6.158 5.744 287 HG2 PRO 38 1HG PRO 38 -13.125 8.232 4.062 288 HG3 PRO 38 2HG PRO 38 -12.174 8.006 5.542 289 HD2 PRO 38 1HD PRO 38 -11.452 7.347 2.711 290 HD3 PRO 38 2HD PRO 38 -10.468 8.108 3.974 291 H MET 39 H MET 39 -11.604 5.171 2.116 292 HA MET 39 HA MET 39 -13.304 2.948 1.642 293 HB2 MET 39 1HB MET 39 -11.242 4.236 -0.116 294 HB3 MET 39 2HB MET 39 -12.288 2.936 -0.659 295 HG2 MET 39 1HG MET 39 -13.152 5.652 0.304 296 HG3 MET 39 2HG MET 39 -13.172 5.065 -1.359 297 HE1 MET 39 3HE MET 39 -16.981 5.303 -0.393 298 HE2 MET 39 1HE MET 39 -15.739 5.821 -1.533 299 HE3 MET 39 2HE MET 39 -15.685 6.373 0.141 300 H ILE 40 H ILE 40 -9.676 2.985 1.276 301 HA ILE 40 HA ILE 40 -9.635 0.178 1.073 302 HB ILE 40 HB ILE 40 -7.455 2.156 1.758 303 HG12 ILE 40 1HG1 ILE 40 -7.927 0.255 -0.553 304 HG13 ILE 40 2HG1 ILE 40 -8.357 1.961 -0.557 305 HG21 ILE 40 1HG2 ILE 40 -7.165 -0.842 1.541 306 HG22 ILE 40 2HG2 ILE 40 -6.970 0.112 3.010 307 HG23 ILE 40 3HG2 ILE 40 -5.848 0.325 1.666 308 HD11 ILE 40 3HD1 ILE 40 -6.330 1.690 -1.744 309 HD12 ILE 40 1HD1 ILE 40 -5.605 0.780 -0.414 310 HD13 ILE 40 2HD1 ILE 40 -5.978 2.492 -0.214 311 H GLU 41 H GLU 41 -9.655 2.337 3.843 312 HA GLU 41 HA GLU 41 -9.082 0.618 5.919 313 HB2 GLU 41 1HB GLU 41 -9.691 2.991 6.192 314 HB3 GLU 41 2HB GLU 41 -11.354 2.608 5.778 315 HG2 GLU 41 1HG GLU 41 -11.372 1.079 7.779 316 HG3 GLU 41 2HG GLU 41 -9.826 1.802 8.229 317 H LYS 42 H LYS 42 -12.194 0.999 4.206 318 HA LYS 42 HA LYS 42 -13.543 -1.024 5.657 319 HB2 LYS 42 1HB LYS 42 -14.732 0.693 4.364 320 HB3 LYS 42 2HB LYS 42 -14.059 0.049 2.873 321 HG2 LYS 42 1HG LYS 42 -15.241 -2.162 3.853 322 HG3 LYS 42 2HG LYS 42 -16.302 -0.916 4.519 323 HD2 LYS 42 1HD LYS 42 -16.467 0.042 2.210 324 HD3 LYS 42 2HD LYS 42 -15.584 -1.376 1.631 325 HE2 LYS 42 1HE LYS 42 -18.236 -1.400 3.069 326 HE3 LYS 42 2HE LYS 42 -17.997 -1.649 1.341 327 HZ1 LYS 42 3HZ LYS 42 -16.600 -3.604 1.941 328 HZ2 LYS 42 1HZ LYS 42 -18.230 -3.760 2.373 329 HZ3 LYS 42 2HZ LYS 42 -17.081 -3.399 3.551 330 H PHE 43 H PHE 43 -11.779 -1.015 2.617 331 HA PHE 43 HA PHE 43 -12.219 -3.695 1.989 332 HB2 PHE 43 1HB PHE 43 -9.986 -1.847 1.180 333 HB3 PHE 43 2HB PHE 43 -10.164 -3.491 0.575 334 HD1 PHE 43 1HD PHE 43 -13.304 -2.128 1.233 335 HD2 PHE 43 2HD PHE 43 -10.172 -2.083 -1.659 336 HE1 PHE 43 1HE PHE 43 -14.888 -1.306 -0.474 337 HE2 PHE 43 2HE PHE 43 -11.749 -1.253 -3.355 338 HZ PHE 43 HZ PHE 43 -14.107 -0.868 -2.768 339 H SER 44 H SER 44 -10.136 -2.177 4.273 340 HA SER 44 HA SER 44 -8.277 -4.354 4.495 341 HB2 SER 44 1HB SER 44 -8.741 -2.283 6.650 342 HB3 SER 44 2HB SER 44 -7.279 -3.166 6.268 343 HG SER 44 HG SER 44 -8.288 -1.565 4.244 344 H GLU 45 H GLU 45 -11.351 -3.474 5.680 345 HA GLU 45 HA GLU 45 -11.365 -5.358 7.875 346 HB2 GLU 45 1HB GLU 45 -13.701 -4.015 6.496 347 HB3 GLU 45 2HB GLU 45 -13.738 -4.828 8.053 348 HG2 GLU 45 1HG GLU 45 -12.210 -3.140 8.955 349 HG3 GLU 45 2HG GLU 45 -12.216 -2.316 7.397 350 H GLN 46 H GLN 46 -11.843 -5.358 4.492 351 HA GLN 46 HA GLN 46 -12.946 -8.062 4.637 352 HB2 GLN 46 1HB GLN 46 -13.758 -7.687 2.324 353 HB3 GLN 46 2HB GLN 46 -14.484 -6.645 3.533 354 HG2 GLN 46 1HG GLN 46 -12.946 -4.859 2.906 355 HG3 GLN 46 2HG GLN 46 -12.302 -5.887 1.628 356 HE21 GLN 46 1HE2 GLN 46 -13.647 -6.423 -0.130 357 HE22 GLN 46 2HE2 GLN 46 -15.005 -5.436 -0.545 358 H TYR 47 H TYR 47 -10.004 -7.076 4.568 359 HA TYR 47 HA TYR 47 -9.208 -9.082 2.547 360 HB2 TYR 47 1HB TYR 47 -7.277 -7.648 4.380 361 HB3 TYR 47 2HB TYR 47 -6.904 -8.594 2.946 362 HD1 TYR 47 1HD TYR 47 -9.189 -7.177 1.295 363 HD2 TYR 47 2HD TYR 47 -5.910 -5.836 3.668 364 HE1 TYR 47 1HE TYR 47 -9.068 -5.120 -0.054 365 HE2 TYR 47 2HE TYR 47 -5.800 -3.761 2.326 366 HH TYR 47 HH TYR 47 -6.443 -2.969 0.102 367 HA PRO 48 HA PRO 48 -9.463 -11.775 6.188 368 HB2 PRO 48 1HB PRO 48 -9.355 -13.917 4.193 369 HB3 PRO 48 2HB PRO 48 -10.605 -13.567 5.387 370 HG2 PRO 48 1HG PRO 48 -10.994 -13.180 2.746 371 HG3 PRO 48 2HG PRO 48 -11.743 -12.146 3.977 372 HD2 PRO 48 1HD PRO 48 -9.329 -11.628 2.282 373 HD3 PRO 48 2HD PRO 48 -10.649 -10.526 2.731 374 H GLN 49 H GLN 49 -7.435 -12.367 3.313 375 HA GLN 49 HA GLN 49 -5.422 -13.502 5.104 376 HB2 GLN 49 1HB GLN 49 -4.555 -14.626 3.024 377 HB3 GLN 49 2HB GLN 49 -6.049 -15.215 3.717 378 HG2 GLN 49 1HG GLN 49 -6.243 -15.174 1.336 379 HG3 GLN 49 2HG GLN 49 -7.312 -13.963 2.036 380 HE21 GLN 49 1HE2 GLN 49 -4.329 -14.489 0.310 381 HE22 GLN 49 2HE2 GLN 49 -4.213 -12.895 -0.351 382 H ALA 50 H ALA 50 -5.926 -10.669 3.532 383 HA ALA 50 HA ALA 50 -3.125 -10.405 2.708 384 HB1 ALA 50 1HB ALA 50 -3.745 -8.724 1.199 385 HB2 ALA 50 2HB ALA 50 -5.315 -8.497 1.957 386 HB3 ALA 50 3HB ALA 50 -4.991 -9.961 1.038 387 H ASP 51 H ASP 51 -1.890 -8.755 3.455 388 HA ASP 51 HA ASP 51 -2.880 -7.504 5.901 389 HB2 ASP 51 1HB ASP 51 -0.205 -8.343 4.943 390 HB3 ASP 51 2HB ASP 51 -0.243 -6.853 5.878 391 H PHE 52 H PHE 52 -3.257 -5.501 6.100 392 HA PHE 52 HA PHE 52 -2.871 -3.775 3.773 393 HB2 PHE 52 1HB PHE 52 -4.768 -2.484 5.056 394 HB3 PHE 52 2HB PHE 52 -5.143 -3.909 4.094 395 HD1 PHE 52 1HD PHE 52 -5.203 -6.189 5.412 396 HD2 PHE 52 2HD PHE 52 -5.517 -2.362 7.224 397 HE1 PHE 52 1HE PHE 52 -6.336 -7.196 7.346 398 HE2 PHE 52 2HE PHE 52 -6.661 -3.347 9.138 399 HZ PHE 52 HZ PHE 52 -7.055 -5.778 9.225 400 H TYR 53 H TYR 53 -1.239 -2.376 3.964 401 HA TYR 53 HA TYR 53 -1.015 -0.932 6.521 402 HB2 TYR 53 1HB TYR 53 1.348 -1.610 4.755 403 HB3 TYR 53 2HB TYR 53 1.375 -0.909 6.376 404 HD1 TYR 53 1HD TYR 53 0.035 -2.462 8.147 405 HD2 TYR 53 2HD TYR 53 1.991 -3.824 4.638 406 HE1 TYR 53 1HE TYR 53 0.271 -4.687 9.159 407 HE2 TYR 53 2HE TYR 53 2.233 -6.063 5.639 408 HH TYR 53 HH TYR 53 0.530 -7.080 8.301 409 H LYS 54 H LYS 54 -0.683 1.250 6.396 410 HA LYS 54 HA LYS 54 -0.420 2.447 3.706 411 HB2 LYS 54 1HB LYS 54 -2.580 2.768 5.565 412 HB3 LYS 54 2HB LYS 54 -1.715 4.288 5.462 413 HG2 LYS 54 1HG LYS 54 -3.169 4.652 3.781 414 HG3 LYS 54 2HG LYS 54 -1.965 3.771 2.848 415 HD2 LYS 54 1HD LYS 54 -4.114 2.849 2.311 416 HD3 LYS 54 2HD LYS 54 -3.267 1.673 3.325 417 HE2 LYS 54 1HE LYS 54 -5.578 1.885 4.031 418 HE3 LYS 54 2HE LYS 54 -4.501 2.495 5.280 419 HZ1 LYS 54 3HZ LYS 54 -5.885 4.227 3.316 420 HZ2 LYS 54 1HZ LYS 54 -4.982 4.726 4.654 421 HZ3 LYS 54 2HZ LYS 54 -6.451 3.920 4.878 422 H LEU 55 H LEU 55 1.467 3.578 3.582 423 HA LEU 55 HA LEU 55 2.665 4.379 6.143 424 HB2 LEU 55 1HB LEU 55 4.038 4.426 3.491 425 HB3 LEU 55 2HB LEU 55 4.745 4.468 5.091 426 HG LEU 55 HG LEU 55 3.627 2.154 3.608 427 HD11 LEU 55 1HD1 LEU 55 6.046 2.553 5.321 428 HD12 LEU 55 2HD1 LEU 55 6.010 2.739 3.568 429 HD13 LEU 55 3HD1 LEU 55 5.707 1.160 4.293 430 HD21 LEU 55 3HD2 LEU 55 3.718 0.840 5.708 431 HD22 LEU 55 1HD2 LEU 55 2.418 2.033 5.679 432 HD23 LEU 55 2HD2 LEU 55 3.890 2.356 6.593 433 H ASP 56 H ASP 56 3.773 6.443 6.281 434 HA ASP 56 HA ASP 56 2.550 8.479 4.582 435 HB2 ASP 56 1HB ASP 56 3.315 10.092 6.285 436 HB3 ASP 56 2HB ASP 56 2.225 8.891 6.949 437 H VAL 57 H VAL 57 3.663 9.125 2.957 438 HA VAL 57 HA VAL 57 6.254 8.246 2.364 439 HB VAL 57 HB VAL 57 4.185 9.156 0.939 440 HG11 VAL 57 1HG1 VAL 57 6.059 11.512 0.902 441 HG12 VAL 57 2HG1 VAL 57 4.480 11.487 1.687 442 HG13 VAL 57 3HG1 VAL 57 4.600 11.305 -0.067 443 HG21 VAL 57 3HG2 VAL 57 5.682 9.236 -0.999 444 HG22 VAL 57 1HG2 VAL 57 5.985 7.865 0.065 445 HG23 VAL 57 2HG2 VAL 57 7.064 9.260 0.099 446 H ASP 58 H ASP 58 5.185 10.832 4.275 447 HA ASP 58 HA ASP 58 7.249 12.716 3.836 448 HB2 ASP 58 1HB ASP 58 5.111 13.251 4.940 449 HB3 ASP 58 2HB ASP 58 5.572 12.242 6.308 450 H GLU 59 H GLU 59 6.887 9.949 5.985 451 HA GLU 59 HA GLU 59 9.650 10.262 6.885 452 HB2 GLU 59 1HB GLU 59 7.461 8.355 7.699 453 HB3 GLU 59 2HB GLU 59 9.120 8.206 8.263 454 HG2 GLU 59 1HG GLU 59 7.251 10.511 8.744 455 HG3 GLU 59 2HG GLU 59 7.796 9.321 9.924 456 H LEU 60 H LEU 60 7.620 8.216 4.906 457 HA LEU 60 HA LEU 60 9.871 6.430 4.374 458 HB2 LEU 60 1HB LEU 60 6.914 6.222 3.860 459 HB3 LEU 60 2HB LEU 60 8.053 5.140 3.096 460 HG LEU 60 HG LEU 60 7.381 3.904 4.924 461 HD11 LEU 60 1HD1 LEU 60 9.688 5.421 6.109 462 HD12 LEU 60 2HD1 LEU 60 9.837 4.143 4.905 463 HD13 LEU 60 3HD1 LEU 60 9.173 3.780 6.497 464 HD21 LEU 60 3HD2 LEU 60 7.467 6.372 6.652 465 HD22 LEU 60 1HD2 LEU 60 6.909 4.770 7.133 466 HD23 LEU 60 2HD2 LEU 60 6.012 5.695 5.927 467 H GLY 61 H GLY 61 10.188 8.957 3.305 468 HA2 GLY 61 1HA GLY 61 9.360 9.033 0.556 469 HA3 GLY 61 2HA GLY 61 10.537 10.089 1.323 470 H ASP 62 H ASP 62 12.318 8.150 2.260 471 HA ASP 62 HA ASP 62 13.863 7.685 -0.051 472 HB2 ASP 62 1HB ASP 62 15.381 6.450 1.422 473 HB3 ASP 62 2HB ASP 62 14.872 7.955 2.177 474 H VAL 63 H VAL 63 11.641 5.708 1.797 475 HA VAL 63 HA VAL 63 12.113 3.254 0.491 476 HB VAL 63 HB VAL 63 9.585 4.268 1.782 477 HG11 VAL 63 1HG1 VAL 63 8.892 1.950 1.905 478 HG12 VAL 63 2HG1 VAL 63 10.374 1.445 1.092 479 HG13 VAL 63 3HG1 VAL 63 9.181 2.414 0.228 480 HG21 VAL 63 3HG2 VAL 63 10.298 2.864 3.682 481 HG22 VAL 63 1HG2 VAL 63 11.390 4.215 3.362 482 HG23 VAL 63 2HG2 VAL 63 11.832 2.584 2.856 483 H ALA 64 H ALA 64 9.858 5.899 -0.119 484 HA ALA 64 HA ALA 64 8.532 4.811 -2.327 485 HB1 ALA 64 1HB ALA 64 7.742 6.793 -1.143 486 HB2 ALA 64 2HB ALA 64 7.913 7.114 -2.868 487 HB3 ALA 64 3HB ALA 64 9.127 7.709 -1.736 488 H GLN 65 H GLN 65 11.632 6.412 -2.054 489 HA GLN 65 HA GLN 65 11.976 6.880 -4.852 490 HB2 GLN 65 1HB GLN 65 14.026 6.762 -2.631 491 HB3 GLN 65 2HB GLN 65 14.312 7.383 -4.251 492 HG2 GLN 65 1HG GLN 65 12.363 8.525 -2.255 493 HG3 GLN 65 2HG GLN 65 13.967 9.165 -2.613 494 HE21 GLN 65 1HE2 GLN 65 11.373 10.428 -2.860 495 HE22 GLN 65 2HE2 GLN 65 11.219 10.915 -4.512 496 H LYS 66 H LYS 66 12.860 4.344 -2.608 497 HA LYS 66 HA LYS 66 14.561 2.843 -4.213 498 HB2 LYS 66 1HB LYS 66 12.640 1.973 -2.057 499 HB3 LYS 66 2HB LYS 66 13.943 0.988 -2.697 500 HG2 LYS 66 1HG LYS 66 15.553 2.680 -1.887 501 HG3 LYS 66 2HG LYS 66 14.200 3.551 -1.166 502 HD2 LYS 66 1HD LYS 66 13.673 1.554 0.183 503 HD3 LYS 66 2HD LYS 66 15.092 0.751 -0.491 504 HE2 LYS 66 1HE LYS 66 15.119 3.302 1.118 505 HE3 LYS 66 2HE LYS 66 15.529 1.702 1.732 506 HZ1 LYS 66 3HZ LYS 66 16.978 3.183 -0.399 507 HZ2 LYS 66 1HZ LYS 66 17.354 1.619 0.128 508 HZ3 LYS 66 2HZ LYS 66 17.511 2.926 1.186 509 H ASN 67 H ASN 67 11.100 3.042 -3.997 510 HA ASN 67 HA ASN 67 10.791 0.805 -5.853 511 HB2 ASN 67 1HB ASN 67 8.799 2.230 -4.085 512 HB3 ASN 67 2HB ASN 67 8.386 0.926 -5.194 513 HD21 ASN 67 1HD2 ASN 67 10.038 1.766 -2.242 514 HD22 ASN 67 2HD2 ASN 67 10.239 0.148 -1.667 515 H GLU 68 H GLU 68 11.534 3.750 -6.289 516 HA GLU 68 HA GLU 68 11.336 5.272 -7.948 517 HB2 GLU 68 1HB GLU 68 10.209 2.876 -9.393 518 HB3 GLU 68 2HB GLU 68 10.670 4.381 -10.176 519 HG2 GLU 68 1HG GLU 68 12.970 4.078 -9.434 520 HG3 GLU 68 2HG GLU 68 12.515 2.583 -8.619 521 H VAL 69 H VAL 69 9.379 5.571 -6.128 522 HA VAL 69 HA VAL 69 6.894 5.989 -7.612 523 HB VAL 69 HB VAL 69 7.524 6.203 -4.667 524 HG11 VAL 69 1HG1 VAL 69 4.882 6.533 -6.078 525 HG12 VAL 69 2HG1 VAL 69 5.801 7.810 -5.280 526 HG13 VAL 69 3HG1 VAL 69 5.120 6.487 -4.331 527 HG21 VAL 69 3HG2 VAL 69 7.495 3.918 -5.496 528 HG22 VAL 69 1HG2 VAL 69 5.915 4.188 -6.232 529 HG23 VAL 69 2HG2 VAL 69 6.087 4.222 -4.477 530 H SER 70 H SER 70 6.651 7.882 -8.595 531 HA SER 70 HA SER 70 7.688 10.296 -7.265 532 HB2 SER 70 1HB SER 70 7.722 11.292 -9.591 533 HB3 SER 70 2HB SER 70 8.896 10.006 -9.309 534 HG SER 70 HG SER 70 7.962 8.868 -10.799 535 H ALA 71 H ALA 71 4.950 8.630 -7.815 536 HA ALA 71 HA ALA 71 3.322 11.080 -7.817 537 HB1 ALA 71 1HB ALA 71 3.087 10.018 -9.995 538 HB2 ALA 71 2HB ALA 71 1.583 9.883 -9.081 539 HB3 ALA 71 3HB ALA 71 2.658 8.494 -9.224 540 H MET 72 H MET 72 2.086 11.259 -6.069 541 HA MET 72 HA MET 72 1.575 8.826 -4.488 542 HB2 MET 72 1HB MET 72 1.439 10.251 -2.526 543 HB3 MET 72 2HB MET 72 2.950 10.577 -3.359 544 HG2 MET 72 1HG MET 72 2.213 12.689 -2.813 545 HG3 MET 72 2HG MET 72 1.651 12.510 -4.473 546 HE1 MET 72 3HE MET 72 0.219 14.813 -3.333 547 HE2 MET 72 1HE MET 72 -1.476 14.373 -3.573 548 HE3 MET 72 2HE MET 72 -0.267 13.955 -4.797 549 HA PRO 73 HA PRO 73 0.340 8.460 -2.695 550 HB2 PRO 73 1HB PRO 73 -2.172 7.043 -2.505 551 HB3 PRO 73 2HB PRO 73 -1.400 8.080 -1.307 552 HG2 PRO 73 1HG PRO 73 -3.716 8.736 -2.583 553 HG3 PRO 73 2HG PRO 73 -2.561 9.937 -1.975 554 HD2 PRO 73 1HD PRO 73 -2.918 8.893 -4.761 555 HD3 PRO 73 2HD PRO 73 -2.653 10.563 -4.210 556 H THR 74 H THR 74 0.438 5.938 -2.478 557 HA THR 74 HA THR 74 0.356 4.777 -5.166 558 HB THR 74 HB THR 74 2.809 4.454 -3.486 559 HG1 THR 74 1HG THR 74 2.491 6.585 -5.356 560 HG21 THR 74 3HG2 THR 74 3.881 4.204 -5.681 561 HG22 THR 74 1HG2 THR 74 2.334 4.518 -6.470 562 HG23 THR 74 2HG2 THR 74 2.544 3.070 -5.486 563 H LEU 75 H LEU 75 -0.360 2.703 -5.088 564 HA LEU 75 HA LEU 75 -0.180 1.286 -2.515 565 HB2 LEU 75 1HB LEU 75 -2.325 1.509 -4.530 566 HB3 LEU 75 2HB LEU 75 -2.056 -0.081 -3.850 567 HG LEU 75 HG LEU 75 -3.839 1.164 -2.684 568 HD11 LEU 75 1HD1 LEU 75 -1.370 0.632 -1.048 569 HD12 LEU 75 2HD1 LEU 75 -2.646 -0.517 -1.449 570 HD13 LEU 75 3HD1 LEU 75 -2.993 0.851 -0.394 571 HD21 LEU 75 3HD2 LEU 75 -3.088 3.411 -2.942 572 HD22 LEU 75 1HD2 LEU 75 -1.611 3.070 -2.039 573 HD23 LEU 75 2HD2 LEU 75 -3.171 3.045 -1.218 574 H LEU 76 H LEU 76 1.436 -0.105 -2.646 575 HA LEU 76 HA LEU 76 1.644 -1.719 -5.101 576 HB2 LEU 76 1HB LEU 76 3.978 -1.028 -3.314 577 HB3 LEU 76 2HB LEU 76 4.026 -1.735 -4.914 578 HG LEU 76 HG LEU 76 3.168 1.100 -4.335 579 HD11 LEU 76 1HD1 LEU 76 5.338 1.739 -5.258 580 HD12 LEU 76 2HD1 LEU 76 5.791 0.039 -5.376 581 HD13 LEU 76 3HD1 LEU 76 5.520 0.772 -3.795 582 HD21 LEU 76 3HD2 LEU 76 3.776 -0.346 -6.905 583 HD22 LEU 76 1HD2 LEU 76 3.444 1.381 -6.759 584 HD23 LEU 76 2HD2 LEU 76 2.191 0.205 -6.362 585 H LEU 77 H LEU 77 0.980 -3.708 -4.620 586 HA LEU 77 HA LEU 77 1.410 -4.645 -1.904 587 HB2 LEU 77 1HB LEU 77 0.317 -6.640 -3.684 588 HB3 LEU 77 2HB LEU 77 -0.330 -5.998 -2.188 589 HG LEU 77 HG LEU 77 -0.677 -4.774 -4.925 590 HD11 LEU 77 1HD1 LEU 77 -1.915 -6.853 -4.597 591 HD12 LEU 77 2HD1 LEU 77 -3.013 -5.472 -4.622 592 HD13 LEU 77 3HD1 LEU 77 -2.582 -6.227 -3.082 593 HD21 LEU 77 3HD2 LEU 77 -0.681 -3.318 -2.695 594 HD22 LEU 77 1HD2 LEU 77 -2.322 -3.953 -2.596 595 HD23 LEU 77 2HD2 LEU 77 -1.820 -3.029 -4.012 596 H PHE 78 H PHE 78 2.964 -5.871 -1.308 597 HA PHE 78 HA PHE 78 4.734 -6.949 -3.377 598 HB2 PHE 78 1HB PHE 78 5.280 -5.981 -0.578 599 HB3 PHE 78 2HB PHE 78 6.451 -6.907 -1.504 600 HD1 PHE 78 1HD PHE 78 4.750 -3.694 -1.152 601 HD2 PHE 78 2HD PHE 78 7.594 -5.934 -3.382 602 HE1 PHE 78 1HE PHE 78 5.575 -1.617 -2.178 603 HE2 PHE 78 2HE PHE 78 8.419 -3.868 -4.414 604 HZ PHE 78 HZ PHE 78 7.411 -1.702 -3.814 605 H LYS 79 H LYS 79 5.587 -9.012 -3.102 606 HA LYS 79 HA LYS 79 4.562 -10.607 -0.897 607 HB2 LYS 79 1HB LYS 79 3.997 -11.040 -3.814 608 HB3 LYS 79 2HB LYS 79 3.834 -12.308 -2.630 609 HG2 LYS 79 1HG LYS 79 2.279 -10.741 -1.385 610 HG3 LYS 79 2HG LYS 79 2.190 -9.871 -2.916 611 HD2 LYS 79 1HD LYS 79 0.406 -11.338 -3.094 612 HD3 LYS 79 2HD LYS 79 1.686 -12.217 -3.917 613 HE2 LYS 79 1HE LYS 79 0.917 -12.630 -1.031 614 HE3 LYS 79 2HE LYS 79 0.326 -13.610 -2.368 615 HZ1 LYS 79 3HZ LYS 79 3.143 -13.349 -1.489 616 HZ2 LYS 79 1HZ LYS 79 2.641 -14.215 -2.849 617 HZ3 LYS 79 2HZ LYS 79 2.155 -14.704 -1.307 618 H ASN 80 H ASN 80 6.098 -11.901 -0.170 619 HA ASN 80 HA ASN 80 8.181 -12.722 0.151 620 HB2 ASN 80 1HB ASN 80 8.840 -14.542 -1.299 621 HB3 ASN 80 2HB ASN 80 7.105 -14.588 -1.047 622 HD21 ASN 80 1HD2 ASN 80 5.747 -14.337 -2.771 623 HD22 ASN 80 2HD2 ASN 80 6.294 -14.271 -4.405 624 H GLY 81 H GLY 81 8.185 -10.099 -1.047 625 HA2 GLY 81 1HA GLY 81 9.796 -8.602 -1.697 626 HA3 GLY 81 2HA GLY 81 10.963 -9.910 -1.599 627 H LYS 82 H LYS 82 8.273 -10.502 -3.676 628 HA LYS 82 HA LYS 82 10.011 -9.932 -5.992 629 HB2 LYS 82 1HB LYS 82 9.377 -11.916 -6.905 630 HB3 LYS 82 2HB LYS 82 9.127 -12.326 -5.225 631 HG2 LYS 82 1HG LYS 82 6.790 -12.024 -5.391 632 HG3 LYS 82 2HG LYS 82 6.935 -11.282 -6.984 633 HD2 LYS 82 1HD LYS 82 7.798 -13.432 -7.860 634 HD3 LYS 82 2HD LYS 82 7.519 -14.155 -6.273 635 HE2 LYS 82 1HE LYS 82 5.147 -13.671 -6.447 636 HE3 LYS 82 2HE LYS 82 5.404 -12.870 -7.995 637 HZ1 LYS 82 3HZ LYS 82 6.115 -14.966 -8.932 638 HZ2 LYS 82 1HZ LYS 82 4.571 -15.124 -8.265 639 HZ3 LYS 82 2HZ LYS 82 5.915 -15.743 -7.448 640 H GLU 83 H GLU 83 7.524 -8.844 -4.324 641 HA GLU 83 HA GLU 83 5.887 -7.321 -4.654 642 HB2 GLU 83 1HB GLU 83 6.615 -7.470 -7.587 643 HB3 GLU 83 2HB GLU 83 5.483 -6.325 -6.883 644 HG2 GLU 83 1HG GLU 83 7.272 -5.319 -5.592 645 HG3 GLU 83 2HG GLU 83 8.416 -6.497 -6.237 646 H VAL 84 H VAL 84 3.827 -7.155 -6.282 647 HA VAL 84 HA VAL 84 3.049 -9.635 -7.416 648 HB VAL 84 HB VAL 84 2.651 -9.754 -4.861 649 HG11 VAL 84 1HG1 VAL 84 0.004 -8.551 -5.500 650 HG12 VAL 84 2HG1 VAL 84 1.348 -7.564 -4.916 651 HG13 VAL 84 3HG1 VAL 84 0.748 -8.907 -3.936 652 HG21 VAL 84 3HG2 VAL 84 0.716 -10.610 -6.963 653 HG22 VAL 84 1HG2 VAL 84 0.557 -11.089 -5.268 654 HG23 VAL 84 2HG2 VAL 84 2.000 -11.540 -6.181 655 H ALA 85 H ALA 85 2.316 -6.357 -6.433 656 HA ALA 85 HA ALA 85 1.100 -5.915 -9.043 657 HB1 ALA 85 1HB ALA 85 -0.685 -6.529 -7.198 658 HB2 ALA 85 2HB ALA 85 -0.986 -5.282 -8.414 659 HB3 ALA 85 3HB ALA 85 -0.470 -4.824 -6.791 660 H LYS 86 H LYS 86 0.733 -3.634 -9.502 661 HA LYS 86 HA LYS 86 2.032 -1.781 -7.685 662 HB2 LYS 86 1HB LYS 86 3.831 -2.541 -9.157 663 HB3 LYS 86 2HB LYS 86 2.868 -2.154 -10.570 664 HG2 LYS 86 1HG LYS 86 3.367 0.083 -8.722 665 HG3 LYS 86 2HG LYS 86 4.782 -0.556 -9.556 666 HD2 LYS 86 1HD LYS 86 3.560 -0.282 -11.705 667 HD3 LYS 86 2HD LYS 86 2.246 0.488 -10.812 668 HE2 LYS 86 1HE LYS 86 3.675 2.181 -11.784 669 HE3 LYS 86 2HE LYS 86 3.819 2.218 -10.028 670 HZ1 LYS 86 3HZ LYS 86 5.892 0.983 -10.212 671 HZ2 LYS 86 1HZ LYS 86 5.973 2.416 -11.107 672 HZ3 LYS 86 2HZ LYS 86 5.744 0.939 -11.896 673 H VAL 87 H VAL 87 0.398 -0.399 -7.328 674 HA VAL 87 HA VAL 87 -0.817 0.882 -9.700 675 HB VAL 87 HB VAL 87 -2.114 0.769 -6.963 676 HG11 VAL 87 1HG1 VAL 87 -4.118 1.467 -8.203 677 HG12 VAL 87 2HG1 VAL 87 -3.169 1.522 -9.688 678 HG13 VAL 87 3HG1 VAL 87 -2.797 2.629 -8.362 679 HG21 VAL 87 3HG2 VAL 87 -3.611 -0.950 -7.753 680 HG22 VAL 87 1HG2 VAL 87 -1.945 -1.518 -7.899 681 HG23 VAL 87 2HG2 VAL 87 -2.816 -0.967 -9.332 682 H VAL 88 H VAL 88 -0.998 3.125 -9.637 683 HA VAL 88 HA VAL 88 0.318 4.528 -7.477 684 HB VAL 88 HB VAL 88 2.221 3.747 -8.647 685 HG11 VAL 88 1HG1 VAL 88 0.999 4.778 -11.198 686 HG12 VAL 88 2HG1 VAL 88 1.070 3.082 -10.702 687 HG13 VAL 88 3HG1 VAL 88 2.563 3.975 -11.033 688 HG21 VAL 88 3HG2 VAL 88 2.330 6.090 -7.966 689 HG22 VAL 88 1HG2 VAL 88 1.717 6.577 -9.548 690 HG23 VAL 88 2HG2 VAL 88 3.289 5.786 -9.417 691 H GLY 89 H GLY 89 -1.676 5.624 -7.332 692 HA2 GLY 89 1HA GLY 89 -1.718 8.163 -8.201 693 HA3 GLY 89 2HA GLY 89 -2.475 7.324 -9.545 694 H ALA 90 H ALA 90 -2.705 7.339 -5.983 695 HA ALA 90 HA ALA 90 -4.496 7.340 -4.563 696 HB1 ALA 90 1HB ALA 90 -5.653 9.095 -6.728 697 HB2 ALA 90 2HB ALA 90 -4.644 9.632 -5.384 698 HB3 ALA 90 3HB ALA 90 -6.251 8.975 -5.074 699 H ASN 91 H ASN 91 -4.977 5.080 -4.802 700 HA ASN 91 HA ASN 91 -7.189 4.535 -6.656 701 HB2 ASN 91 1HB ASN 91 -6.339 2.207 -6.800 702 HB3 ASN 91 2HB ASN 91 -5.240 3.408 -7.468 703 HD21 ASN 91 1HD2 ASN 91 -4.958 0.643 -6.282 704 HD22 ASN 91 2HD2 ASN 91 -3.686 0.804 -5.131 705 HA PRO 92 HA PRO 92 -9.097 2.984 -2.836 706 HB2 PRO 92 1HB PRO 92 -11.515 4.280 -3.678 707 HB3 PRO 92 2HB PRO 92 -10.544 4.630 -2.251 708 HG2 PRO 92 1HG PRO 92 -10.855 6.309 -4.439 709 HG3 PRO 92 2HG PRO 92 -9.566 6.425 -3.232 710 HD2 PRO 92 1HD PRO 92 -9.496 5.301 -5.984 711 HD3 PRO 92 2HD PRO 92 -8.212 6.101 -5.058 712 H ALA 93 H ALA 93 -10.159 3.458 -6.171 713 HA ALA 93 HA ALA 93 -11.820 1.074 -6.115 714 HB1 ALA 93 1HB ALA 93 -12.444 1.675 -8.377 715 HB2 ALA 93 2HB ALA 93 -11.208 2.931 -8.410 716 HB3 ALA 93 3HB ALA 93 -12.583 3.077 -7.317 717 H ALA 94 H ALA 94 -8.850 2.201 -7.679 718 HA ALA 94 HA ALA 94 -8.460 -0.188 -9.194 719 HB1 ALA 94 1HB ALA 94 -6.287 0.750 -9.783 720 HB2 ALA 94 2HB ALA 94 -6.501 2.019 -8.582 721 HB3 ALA 94 3HB ALA 94 -7.574 1.938 -9.974 722 H ILE 95 H ILE 95 -7.730 0.680 -5.918 723 HA ILE 95 HA ILE 95 -5.672 -1.138 -5.402 724 HB ILE 95 HB ILE 95 -6.722 0.396 -3.660 725 HG12 ILE 95 1HG1 ILE 95 -6.121 -1.017 -1.819 726 HG13 ILE 95 2HG1 ILE 95 -6.522 -2.480 -2.718 727 HG21 ILE 95 1HG2 ILE 95 -8.702 -1.855 -3.384 728 HG22 ILE 95 2HG2 ILE 95 -9.058 -0.256 -4.054 729 HG23 ILE 95 3HG2 ILE 95 -8.587 -0.415 -2.362 730 HD11 ILE 95 3HD1 ILE 95 -4.096 -2.080 -2.433 731 HD12 ILE 95 1HD1 ILE 95 -4.254 -0.623 -3.411 732 HD13 ILE 95 2HD1 ILE 95 -4.600 -2.201 -4.117 733 H LYS 96 H LYS 96 -9.110 -1.528 -5.813 734 HA LYS 96 HA LYS 96 -9.323 -4.204 -5.056 735 HB2 LYS 96 1HB LYS 96 -10.980 -2.300 -6.504 736 HB3 LYS 96 2HB LYS 96 -11.199 -3.953 -7.066 737 HG2 LYS 96 1HG LYS 96 -11.496 -2.974 -4.236 738 HG3 LYS 96 2HG LYS 96 -12.795 -3.461 -5.328 739 HD2 LYS 96 1HD LYS 96 -11.748 -5.728 -5.433 740 HD3 LYS 96 2HD LYS 96 -10.608 -5.202 -4.186 741 HE2 LYS 96 1HE LYS 96 -12.406 -4.855 -2.626 742 HE3 LYS 96 2HE LYS 96 -13.609 -5.185 -3.872 743 HZ1 LYS 96 3HZ LYS 96 -13.312 -7.103 -2.473 744 HZ2 LYS 96 1HZ LYS 96 -11.649 -7.128 -2.777 745 HZ3 LYS 96 2HZ LYS 96 -12.743 -7.451 -4.023 746 H GLN 97 H GLN 97 -8.480 -2.732 -8.130 747 HA GLN 97 HA GLN 97 -8.326 -4.938 -9.784 748 HB2 GLN 97 1HB GLN 97 -7.935 -2.662 -10.573 749 HB3 GLN 97 2HB GLN 97 -6.481 -2.542 -9.604 750 HG2 GLN 97 1HG GLN 97 -6.593 -4.707 -11.629 751 HG3 GLN 97 2HG GLN 97 -6.432 -3.052 -12.209 752 HE21 GLN 97 1HE2 GLN 97 -4.876 -5.693 -10.624 753 HE22 GLN 97 2HE2 GLN 97 -3.301 -4.981 -10.507 754 H ALA 98 H ALA 98 -5.719 -3.625 -7.736 755 HA ALA 98 HA ALA 98 -4.028 -5.898 -8.218 756 HB1 ALA 98 1HB ALA 98 -3.784 -3.636 -6.230 757 HB2 ALA 98 2HB ALA 98 -3.054 -3.698 -7.833 758 HB3 ALA 98 3HB ALA 98 -2.514 -4.813 -6.575 759 H ILE 99 H ILE 99 -6.340 -5.041 -5.893 760 HA ILE 99 HA ILE 99 -5.286 -6.718 -3.828 761 HB ILE 99 HB ILE 99 -6.889 -4.492 -3.864 762 HG12 ILE 99 1HG1 ILE 99 -5.317 -5.254 -2.136 763 HG13 ILE 99 2HG1 ILE 99 -6.858 -4.731 -1.449 764 HG21 ILE 99 1HG2 ILE 99 -8.644 -6.584 -2.677 765 HG22 ILE 99 2HG2 ILE 99 -8.834 -6.049 -4.345 766 HG23 ILE 99 3HG2 ILE 99 -8.998 -4.884 -3.024 767 HD11 ILE 99 3HD1 ILE 99 -6.577 -7.586 -2.169 768 HD12 ILE 99 1HD1 ILE 99 -7.440 -6.838 -0.826 769 HD13 ILE 99 2HD1 ILE 99 -5.682 -7.011 -0.749 770 H ALA 100 H ALA 100 -7.918 -6.904 -6.118 771 HA ALA 100 HA ALA 100 -8.874 -9.350 -4.906 772 HB1 ALA 100 1HB ALA 100 -9.857 -7.926 -7.383 773 HB2 ALA 100 2HB ALA 100 -10.513 -7.743 -5.756 774 HB3 ALA 100 3HB ALA 100 -10.645 -9.291 -6.592 775 H ALA 101 H ALA 101 -7.029 -8.288 -7.678 776 HA ALA 101 HA ALA 101 -7.060 -10.811 -9.010 777 HB1 ALA 101 1HB ALA 101 -5.148 -8.506 -9.343 778 HB2 ALA 101 2HB ALA 101 -6.663 -8.723 -10.218 779 HB3 ALA 101 3HB ALA 101 -5.340 -9.868 -10.445 780 H ASN 102 H ASN 102 -4.868 -9.231 -6.700 781 HA ASN 102 HA ASN 102 -3.088 -11.557 -6.972 782 HB2 ASN 102 1HB ASN 102 -2.629 -8.935 -5.561 783 HB3 ASN 102 2HB ASN 102 -1.461 -10.254 -5.644 784 HD21 ASN 102 1HD2 ASN 102 -2.899 -7.629 -7.257 785 HD22 ASN 102 2HD2 ASN 102 -1.983 -7.727 -8.728 786 H ALA 103 H ALA 103 -4.099 -9.613 -4.155 787 HA ALA 103 HA ALA 103 -3.580 -11.364 -2.140 788 HB1 ALA 103 1HB ALA 103 -4.532 -9.077 -1.838 789 HB2 ALA 103 2HB ALA 103 -5.258 -10.294 -0.786 790 HB3 ALA 103 3HB ALA 103 -6.118 -9.738 -2.222 Start of MODEL 14 1 H1 MET 1 1H MET 1 -10.101 -0.174 9.813 2 H2 MET 1 2H MET 1 -9.033 -1.393 10.291 3 H3 MET 1 3H MET 1 -9.191 -1.004 8.655 4 HA MET 1 HA MET 1 -8.276 1.174 9.036 5 HB2 MET 1 1HB MET 1 -9.039 1.428 11.365 6 HB3 MET 1 2HB MET 1 -7.901 0.189 11.873 7 HG2 MET 1 1HG MET 1 -7.133 2.488 12.335 8 HG3 MET 1 2HG MET 1 -6.038 1.576 11.298 9 HE1 MET 1 3HE MET 1 -4.816 3.824 10.603 10 HE2 MET 1 1HE MET 1 -5.909 4.761 11.621 11 HE3 MET 1 2HE MET 1 -5.648 5.232 9.943 12 H VAL 2 H VAL 2 -6.095 1.435 8.614 13 HA VAL 2 HA VAL 2 -4.638 -1.110 8.474 14 HB VAL 2 HB VAL 2 -4.293 -0.764 6.312 15 HG11 VAL 2 1HG1 VAL 2 -5.518 0.952 5.111 16 HG12 VAL 2 2HG1 VAL 2 -5.830 1.801 6.624 17 HG13 VAL 2 3HG1 VAL 2 -6.522 0.202 6.350 18 HG21 VAL 2 3HG2 VAL 2 -2.483 0.890 7.310 19 HG22 VAL 2 1HG2 VAL 2 -3.470 2.075 6.459 20 HG23 VAL 2 2HG2 VAL 2 -2.752 0.722 5.579 21 H THR 3 H THR 3 -2.459 -1.173 8.834 22 HA THR 3 HA THR 3 -1.588 0.622 10.923 23 HB THR 3 HB THR 3 -0.935 -2.071 9.967 24 HG1 THR 3 1HG THR 3 -1.791 -0.993 12.135 25 HG21 THR 3 3HG2 THR 3 1.212 -0.928 9.470 26 HG22 THR 3 1HG2 THR 3 1.349 -2.148 10.749 27 HG23 THR 3 2HG2 THR 3 1.300 -0.435 11.170 28 H GLN 4 H GLN 4 0.176 1.835 10.955 29 HA GLN 4 HA GLN 4 1.411 2.592 8.417 30 HB2 GLN 4 1HB GLN 4 2.377 4.417 9.932 31 HB3 GLN 4 2HB GLN 4 0.640 4.460 9.653 32 HG2 GLN 4 1HG GLN 4 0.151 3.620 11.779 33 HG3 GLN 4 2HG GLN 4 1.804 3.055 12.020 34 HE21 GLN 4 1HE2 GLN 4 3.400 4.473 12.611 35 HE22 GLN 4 2HE2 GLN 4 3.075 6.058 13.204 36 H PHE 5 H PHE 5 3.515 2.021 7.976 37 HA PHE 5 HA PHE 5 5.048 0.707 10.088 38 HB2 PHE 5 1HB PHE 5 5.574 1.100 7.152 39 HB3 PHE 5 2HB PHE 5 6.802 0.490 8.243 40 HD1 PHE 5 1HD PHE 5 5.053 -1.279 9.948 41 HD2 PHE 5 2HD PHE 5 5.270 -0.706 5.741 42 HE1 PHE 5 1HE PHE 5 4.265 -3.582 9.595 43 HE2 PHE 5 2HE PHE 5 4.486 -2.998 5.373 44 HZ PHE 5 HZ PHE 5 3.978 -4.444 7.306 45 H LYS 6 H LYS 6 6.924 1.558 10.969 46 HA LYS 6 HA LYS 6 7.165 4.438 10.580 47 HB2 LYS 6 1HB LYS 6 8.449 4.410 12.704 48 HB3 LYS 6 2HB LYS 6 6.806 3.795 12.860 49 HG2 LYS 6 1HG LYS 6 7.682 1.505 12.771 50 HG3 LYS 6 2HG LYS 6 9.321 2.141 12.667 51 HD2 LYS 6 1HD LYS 6 8.894 1.518 14.945 52 HD3 LYS 6 2HD LYS 6 8.954 3.278 14.850 53 HE2 LYS 6 1HE LYS 6 7.118 2.592 16.266 54 HE3 LYS 6 2HE LYS 6 6.491 3.334 14.798 55 HZ1 LYS 6 3HZ LYS 6 5.271 1.333 15.384 56 HZ2 LYS 6 1HZ LYS 6 6.687 0.413 15.304 57 HZ3 LYS 6 2HZ LYS 6 6.064 1.135 13.908 58 H THR 7 H THR 7 8.807 1.584 9.734 59 HA THR 7 HA THR 7 11.052 3.226 8.825 60 HB THR 7 HB THR 7 12.607 1.346 9.200 61 HG1 THR 7 1HG THR 7 11.495 -0.061 11.042 62 HG21 THR 7 3HG2 THR 7 12.528 3.165 10.815 63 HG22 THR 7 1HG2 THR 7 12.828 1.629 11.630 64 HG23 THR 7 2HG2 THR 7 11.222 2.356 11.680 65 H ALA 8 H ALA 8 12.050 2.600 6.903 66 HA ALA 8 HA ALA 8 10.486 1.331 4.928 67 HB1 ALA 8 1HB ALA 8 13.478 1.753 5.028 68 HB2 ALA 8 2HB ALA 8 12.292 2.897 4.402 69 HB3 ALA 8 3HB ALA 8 12.541 1.351 3.590 70 H SER 9 H SER 9 12.806 0.225 7.274 71 HA SER 9 HA SER 9 13.207 -2.392 6.314 72 HB2 SER 9 1HB SER 9 14.615 -1.264 8.049 73 HB3 SER 9 2HB SER 9 13.286 -1.452 9.191 74 HG SER 9 HG SER 9 14.418 -3.237 9.563 75 H GLU 10 H GLU 10 10.753 -0.954 8.454 76 HA GLU 10 HA GLU 10 9.444 -3.326 9.211 77 HB2 GLU 10 1HB GLU 10 8.510 -0.500 8.807 78 HB3 GLU 10 2HB GLU 10 7.363 -1.765 9.224 79 HG2 GLU 10 1HG GLU 10 9.810 -1.152 10.850 80 HG3 GLU 10 2HG GLU 10 8.238 -0.406 11.134 81 H PHE 11 H PHE 11 8.890 -1.193 6.465 82 HA PHE 11 HA PHE 11 6.859 -2.712 5.243 83 HB2 PHE 11 1HB PHE 11 6.886 -0.555 4.505 84 HB3 PHE 11 2HB PHE 11 8.639 -0.450 4.492 85 HD1 PHE 11 2HD PHE 11 5.660 -1.397 2.595 86 HD2 PHE 11 1HD PHE 11 9.900 -1.087 2.550 87 HE1 PHE 11 2HE PHE 11 5.641 -1.628 0.145 88 HE2 PHE 11 1HE PHE 11 9.893 -1.316 0.097 89 HZ PHE 11 HZ PHE 11 7.762 -1.589 -1.107 90 H ASP 12 H ASP 12 10.356 -2.595 4.744 91 HA ASP 12 HA ASP 12 10.549 -4.329 2.572 92 HB2 ASP 12 1HB ASP 12 12.456 -3.036 3.267 93 HB3 ASP 12 2HB ASP 12 12.488 -3.837 4.834 94 H SER 13 H SER 13 10.636 -5.062 6.036 95 HA SER 13 HA SER 13 11.137 -7.818 5.721 96 HB2 SER 13 1HB SER 13 9.791 -6.423 8.047 97 HB3 SER 13 2HB SER 13 10.588 -7.997 8.084 98 HG SER 13 HG SER 13 11.683 -5.430 8.026 99 H ALA 14 H ALA 14 8.170 -5.944 5.814 100 HA ALA 14 HA ALA 14 6.429 -8.187 6.017 101 HB1 ALA 14 1HB ALA 14 5.660 -5.969 6.634 102 HB2 ALA 14 2HB ALA 14 4.663 -6.618 5.330 103 HB3 ALA 14 3HB ALA 14 5.896 -5.407 4.980 104 H ILE 15 H ILE 15 7.518 -6.189 3.291 105 HA ILE 15 HA ILE 15 5.981 -7.566 1.356 106 HB ILE 15 HB ILE 15 7.310 -6.383 -0.309 107 HG12 ILE 15 1HG1 ILE 15 8.934 -5.240 1.951 108 HG13 ILE 15 2HG1 ILE 15 9.464 -6.657 1.057 109 HG21 ILE 15 1HG2 ILE 15 5.488 -5.214 0.822 110 HG22 ILE 15 2HG2 ILE 15 6.794 -4.103 0.410 111 HG23 ILE 15 3HG2 ILE 15 6.607 -4.667 2.070 112 HD11 ILE 15 3HD1 ILE 15 10.522 -4.669 0.200 113 HD12 ILE 15 1HD1 ILE 15 8.950 -3.919 -0.072 114 HD13 ILE 15 2HD1 ILE 15 9.424 -5.335 -1.009 115 H ALA 16 H ALA 16 8.869 -8.397 2.962 116 HA ALA 16 HA ALA 16 9.883 -10.081 0.832 117 HB1 ALA 16 1HB ALA 16 11.653 -10.649 2.355 118 HB2 ALA 16 2HB ALA 16 10.771 -9.937 3.705 119 HB3 ALA 16 3HB ALA 16 11.390 -8.904 2.413 120 H GLN 17 H GLN 17 7.462 -10.334 3.076 121 HA GLN 17 HA GLN 17 7.832 -13.067 3.852 122 HB2 GLN 17 1HB GLN 17 5.401 -11.276 4.033 123 HB3 GLN 17 2HB GLN 17 5.536 -12.866 4.771 124 HG2 GLN 17 1HG GLN 17 7.338 -12.093 6.182 125 HG3 GLN 17 2HG GLN 17 7.297 -10.510 5.405 126 HE21 GLN 17 1HE2 GLN 17 4.438 -12.365 6.175 127 HE22 GLN 17 2HE2 GLN 17 3.856 -11.319 7.420 128 H ASP 18 H ASP 18 6.438 -14.803 3.286 129 HA ASP 18 HA ASP 18 6.131 -15.094 0.479 130 HB2 ASP 18 1HB ASP 18 6.744 -16.939 2.008 131 HB3 ASP 18 2HB ASP 18 5.138 -16.872 2.717 132 H LYS 19 H LYS 19 4.253 -13.327 2.379 133 HA LYS 19 HA LYS 19 1.713 -14.284 1.255 134 HB2 LYS 19 1HB LYS 19 0.559 -13.424 3.036 135 HB3 LYS 19 2HB LYS 19 1.931 -14.259 3.746 136 HG2 LYS 19 1HG LYS 19 2.759 -12.372 4.640 137 HG3 LYS 19 2HG LYS 19 2.346 -11.409 3.215 138 HD2 LYS 19 1HD LYS 19 1.094 -10.899 5.396 139 HD3 LYS 19 2HD LYS 19 0.145 -11.081 3.919 140 HE2 LYS 19 1HE LYS 19 -0.240 -13.461 4.540 141 HE3 LYS 19 2HE LYS 19 0.556 -13.137 6.085 142 HZ1 LYS 19 3HZ LYS 19 -1.981 -11.988 5.077 143 HZ2 LYS 19 1HZ LYS 19 -1.150 -11.342 6.409 144 HZ3 LYS 19 2HZ LYS 19 -1.741 -12.930 6.460 145 H LEU 20 H LEU 20 0.097 -12.362 1.409 146 HA LEU 20 HA LEU 20 1.042 -10.454 -0.570 147 HB2 LEU 20 1HB LEU 20 -1.148 -11.758 -0.686 148 HB3 LEU 20 2HB LEU 20 -1.733 -10.724 0.594 149 HG LEU 20 HG LEU 20 -2.583 -9.981 -1.530 150 HD11 LEU 20 1HD1 LEU 20 -2.174 -8.227 0.055 151 HD12 LEU 20 2HD1 LEU 20 -1.834 -7.654 -1.576 152 HD13 LEU 20 3HD1 LEU 20 -0.506 -8.077 -0.495 153 HD21 LEU 20 3HD2 LEU 20 0.241 -9.545 -2.429 154 HD22 LEU 20 1HD2 LEU 20 -1.239 -9.284 -3.352 155 HD23 LEU 20 2HD2 LEU 20 -0.756 -10.921 -2.902 156 H VAL 21 H VAL 21 1.977 -8.648 0.148 157 HA VAL 21 HA VAL 21 0.747 -7.324 2.485 158 HB VAL 21 HB VAL 21 3.644 -7.231 1.607 159 HG11 VAL 21 1HG1 VAL 21 4.028 -5.683 3.443 160 HG12 VAL 21 2HG1 VAL 21 2.311 -5.715 3.859 161 HG13 VAL 21 3HG1 VAL 21 2.833 -5.004 2.328 162 HG21 VAL 21 3HG2 VAL 21 3.009 -9.225 2.873 163 HG22 VAL 21 1HG2 VAL 21 2.334 -8.211 4.147 164 HG23 VAL 21 2HG2 VAL 21 4.067 -8.184 3.822 165 H VAL 22 H VAL 22 -0.490 -5.703 1.811 166 HA VAL 22 HA VAL 22 0.480 -4.079 -0.416 167 HB VAL 22 HB VAL 22 -1.562 -4.547 -1.193 168 HG11 VAL 22 1HG1 VAL 22 -2.544 -4.894 1.619 169 HG12 VAL 22 2HG1 VAL 22 -2.154 -6.157 0.446 170 HG13 VAL 22 3HG1 VAL 22 -3.537 -5.099 0.175 171 HG21 VAL 22 3HG2 VAL 22 -2.288 -2.371 0.755 172 HG22 VAL 22 1HG2 VAL 22 -3.285 -2.879 -0.608 173 HG23 VAL 22 2HG2 VAL 22 -1.698 -2.166 -0.895 174 H VAL 23 H VAL 23 1.652 -2.482 0.259 175 HA VAL 23 HA VAL 23 0.733 -0.853 2.546 176 HB VAL 23 HB VAL 23 3.486 -0.871 1.297 177 HG11 VAL 23 1HG1 VAL 23 2.470 0.235 3.905 178 HG12 VAL 23 2HG1 VAL 23 2.881 1.173 2.469 179 HG13 VAL 23 3HG1 VAL 23 4.138 0.285 3.335 180 HG21 VAL 23 3HG2 VAL 23 3.282 -3.021 2.216 181 HG22 VAL 23 1HG2 VAL 23 2.382 -2.427 3.611 182 HG23 VAL 23 2HG2 VAL 23 4.097 -2.069 3.459 183 H ALA 24 H ALA 24 0.455 1.389 2.245 184 HA ALA 24 HA ALA 24 0.745 2.396 -0.514 185 HB1 ALA 24 1HB ALA 24 -1.246 3.568 -0.382 186 HB2 ALA 24 2HB ALA 24 -1.289 3.476 1.374 187 HB3 ALA 24 3HB ALA 24 -1.622 2.037 0.411 188 H PHE 25 H PHE 25 2.065 3.928 -0.833 189 HA PHE 25 HA PHE 25 3.244 5.493 1.237 190 HB2 PHE 25 1HB PHE 25 3.214 5.811 -1.764 191 HB3 PHE 25 2HB PHE 25 4.243 6.742 -0.675 192 HD1 PHE 25 1HD PHE 25 6.122 5.669 0.470 193 HD2 PHE 25 2HD PHE 25 3.666 3.510 -2.256 194 HE1 PHE 25 1HE PHE 25 7.827 3.896 0.334 195 HE2 PHE 25 2HE PHE 25 5.361 1.731 -2.380 196 HZ PHE 25 HZ PHE 25 7.444 1.924 -1.083 197 H TYR 26 H TYR 26 2.697 7.479 1.970 198 HA TYR 26 HA TYR 26 0.147 8.610 1.031 199 HB2 TYR 26 1HB TYR 26 0.623 7.027 3.368 200 HB3 TYR 26 2HB TYR 26 0.204 8.662 3.862 201 HD1 TYR 26 2HD TYR 26 -0.934 6.153 1.350 202 HD2 TYR 26 1HD TYR 26 -1.996 9.044 4.277 203 HE1 TYR 26 2HE TYR 26 -3.308 5.635 0.995 204 HE2 TYR 26 1HE TYR 26 -4.372 8.530 3.935 205 HH TYR 26 HH TYR 26 -5.792 7.577 2.150 206 H ALA 27 H ALA 27 -0.406 10.522 2.566 207 HA ALA 27 HA ALA 27 1.695 11.885 3.903 208 HB1 ALA 27 1HB ALA 27 2.341 12.458 1.609 209 HB2 ALA 27 2HB ALA 27 1.765 13.882 2.475 210 HB3 ALA 27 3HB ALA 27 0.721 13.082 1.301 211 H THR 28 H THR 28 0.877 13.811 4.967 212 HA THR 28 HA THR 28 -1.961 13.636 5.498 213 HB THR 28 HB THR 28 -1.387 15.562 7.118 214 HG1 THR 28 1HG THR 28 0.588 16.286 6.856 215 HG21 THR 28 3HG2 THR 28 -0.443 13.991 8.756 216 HG22 THR 28 1HG2 THR 28 -0.099 12.851 7.456 217 HG23 THR 28 2HG2 THR 28 -1.768 13.263 7.847 218 H TRP 29 H TRP 29 -0.177 15.165 3.203 219 HA TRP 29 HA TRP 29 -1.952 17.501 3.103 220 HB2 TRP 29 1HB TRP 29 -0.055 18.609 1.846 221 HB3 TRP 29 2HB TRP 29 0.230 18.303 3.556 222 HD1 TRP 29 HD TRP 29 0.993 16.572 0.184 223 HE1 TRP 29 1HE TRP 29 3.321 15.466 0.351 224 HE3 TRP 29 3HE TRP 29 2.050 17.688 5.045 225 HZ2 TRP 29 2HZ TRP 29 5.329 15.118 2.310 226 HZ3 TRP 29 3HZ TRP 29 4.188 16.936 5.995 227 HH2 TRP 29 HH TRP 29 5.792 15.679 4.657 228 H CYS 30 H CYS 30 -2.796 15.122 1.933 229 HA CYS 30 HA CYS 30 -2.856 15.953 -0.859 230 HB2 CYS 30 1HB CYS 30 -2.602 13.465 -1.493 231 HB3 CYS 30 2HB CYS 30 -1.154 14.393 -1.107 232 H GLY 31 H GLY 31 -4.814 16.038 -1.551 233 HA2 GLY 31 1HA GLY 31 -7.088 15.205 -0.162 234 HA3 GLY 31 2HA GLY 31 -7.048 15.691 -1.845 235 HA PRO 32 HA PRO 32 -7.445 11.514 -3.368 236 HB2 PRO 32 1HB PRO 32 -4.556 10.864 -3.605 237 HB3 PRO 32 2HB PRO 32 -5.833 10.770 -4.821 238 HG2 PRO 32 1HG PRO 32 -4.029 12.704 -4.923 239 HG3 PRO 32 2HG PRO 32 -5.732 13.036 -5.294 240 HD2 PRO 32 1HD PRO 32 -4.191 13.615 -2.788 241 HD3 PRO 32 2HD PRO 32 -5.378 14.626 -3.625 242 H CYS 33 H CYS 33 -4.668 11.675 -1.184 243 HA CYS 33 HA CYS 33 -4.770 9.093 -0.128 244 HB2 CYS 33 1HB CYS 33 -4.041 11.587 1.408 245 HB3 CYS 33 2HB CYS 33 -3.454 9.948 1.679 246 H LYS 34 H LYS 34 -6.612 11.981 0.702 247 HA LYS 34 HA LYS 34 -7.706 10.976 3.086 248 HB2 LYS 34 1HB LYS 34 -7.752 13.378 2.375 249 HB3 LYS 34 2HB LYS 34 -9.009 12.958 1.217 250 HG2 LYS 34 1HG LYS 34 -10.420 12.172 3.086 251 HG3 LYS 34 2HG LYS 34 -9.176 12.714 4.213 252 HD2 LYS 34 1HD LYS 34 -9.414 15.004 3.286 253 HD3 LYS 34 2HD LYS 34 -10.754 14.422 2.296 254 HE2 LYS 34 1HE LYS 34 -10.622 14.407 5.309 255 HE3 LYS 34 2HE LYS 34 -11.574 15.507 4.315 256 HZ1 LYS 34 3HZ LYS 34 -12.847 13.616 3.509 257 HZ2 LYS 34 1HZ LYS 34 -12.927 13.717 5.196 258 HZ3 LYS 34 2HZ LYS 34 -11.933 12.562 4.465 259 H MET 35 H MET 35 -9.064 11.035 -0.229 260 HA MET 35 HA MET 35 -11.523 9.896 0.491 261 HB2 MET 35 1HB MET 35 -11.819 9.393 -1.912 262 HB3 MET 35 2HB MET 35 -11.336 11.050 -1.594 263 HG2 MET 35 1HG MET 35 -9.047 10.497 -2.218 264 HG3 MET 35 2HG MET 35 -9.538 8.833 -2.518 265 HE1 MET 35 3HE MET 35 -11.066 12.415 -4.996 266 HE2 MET 35 1HE MET 35 -10.010 12.572 -3.594 267 HE3 MET 35 2HE MET 35 -11.676 12.034 -3.387 268 H ILE 36 H ILE 36 -8.623 8.243 -0.792 269 HA ILE 36 HA ILE 36 -9.992 5.728 -0.716 270 HB ILE 36 HB ILE 36 -8.447 5.326 -2.265 271 HG12 ILE 36 1HG1 ILE 36 -7.666 4.074 -0.076 272 HG13 ILE 36 2HG1 ILE 36 -6.750 3.964 -1.567 273 HG21 ILE 36 1HG2 ILE 36 -7.718 7.605 -2.398 274 HG22 ILE 36 2HG2 ILE 36 -6.331 6.525 -2.537 275 HG23 ILE 36 3HG2 ILE 36 -6.641 7.374 -1.022 276 HD11 ILE 36 3HD1 ILE 36 -5.207 5.660 -0.747 277 HD12 ILE 36 1HD1 ILE 36 -5.312 4.301 0.372 278 HD13 ILE 36 2HD1 ILE 36 -6.152 5.813 0.738 279 H ALA 37 H ALA 37 -8.358 7.627 1.577 280 HA ALA 37 HA ALA 37 -7.229 5.679 3.207 281 HB1 ALA 37 1HB ALA 37 -6.819 8.097 3.388 282 HB2 ALA 37 2HB ALA 37 -7.151 7.313 4.940 283 HB3 ALA 37 3HB ALA 37 -8.399 8.279 4.157 284 HA PRO 38 HA PRO 38 -11.416 5.045 5.444 285 HB2 PRO 38 1HB PRO 38 -13.465 6.191 3.691 286 HB3 PRO 38 2HB PRO 38 -13.259 6.371 5.435 287 HG2 PRO 38 1HG PRO 38 -12.794 8.398 3.738 288 HG3 PRO 38 2HG PRO 38 -11.841 8.170 5.217 289 HD2 PRO 38 1HD PRO 38 -11.160 7.422 2.394 290 HD3 PRO 38 2HD PRO 38 -10.153 8.216 3.618 291 H MET 39 H MET 39 -11.347 5.210 1.883 292 HA MET 39 HA MET 39 -13.050 2.976 1.495 293 HB2 MET 39 1HB MET 39 -10.842 3.977 -0.300 294 HB3 MET 39 2HB MET 39 -12.087 2.832 -0.771 295 HG2 MET 39 1HG MET 39 -12.499 5.704 0.029 296 HG3 MET 39 2HG MET 39 -12.624 5.031 -1.594 297 HE1 MET 39 3HE MET 39 -15.019 6.230 -1.792 298 HE2 MET 39 1HE MET 39 -14.865 6.830 -0.143 299 HE3 MET 39 2HE MET 39 -16.327 5.977 -0.639 300 H ILE 40 H ILE 40 -9.449 3.011 1.220 301 HA ILE 40 HA ILE 40 -9.296 0.199 1.290 302 HB ILE 40 HB ILE 40 -7.297 2.407 1.598 303 HG12 ILE 40 1HG1 ILE 40 -7.523 0.052 -0.281 304 HG13 ILE 40 2HG1 ILE 40 -8.242 1.629 -0.583 305 HG21 ILE 40 1HG2 ILE 40 -6.708 -0.517 2.061 306 HG22 ILE 40 2HG2 ILE 40 -6.488 0.806 3.209 307 HG23 ILE 40 3HG2 ILE 40 -5.491 0.724 1.756 308 HD11 ILE 40 3HD1 ILE 40 -5.354 0.877 -0.494 309 HD12 ILE 40 1HD1 ILE 40 -5.900 2.548 -0.348 310 HD13 ILE 40 2HD1 ILE 40 -6.282 1.626 -1.801 311 H GLU 41 H GLU 41 -9.625 2.543 3.829 312 HA GLU 41 HA GLU 41 -8.981 0.937 6.031 313 HB2 GLU 41 1HB GLU 41 -9.621 3.326 6.196 314 HB3 GLU 41 2HB GLU 41 -11.276 2.890 5.794 315 HG2 GLU 41 1HG GLU 41 -11.274 1.429 7.838 316 HG3 GLU 41 2HG GLU 41 -9.732 2.170 8.263 317 H LYS 42 H LYS 42 -12.038 1.204 4.192 318 HA LYS 42 HA LYS 42 -13.340 -0.814 5.674 319 HB2 LYS 42 1HB LYS 42 -14.746 0.618 4.421 320 HB3 LYS 42 2HB LYS 42 -13.809 0.390 2.953 321 HG2 LYS 42 1HG LYS 42 -16.015 -0.726 2.911 322 HG3 LYS 42 2HG LYS 42 -14.663 -1.834 2.679 323 HD2 LYS 42 1HD LYS 42 -16.298 -2.821 4.166 324 HD3 LYS 42 2HD LYS 42 -14.804 -2.482 5.040 325 HE2 LYS 42 1HE LYS 42 -15.777 -0.511 6.027 326 HE3 LYS 42 2HE LYS 42 -17.235 -0.696 5.055 327 HZ1 LYS 42 3HZ LYS 42 -17.512 -1.495 7.340 328 HZ2 LYS 42 1HZ LYS 42 -16.296 -2.644 7.090 329 HZ3 LYS 42 2HZ LYS 42 -17.733 -2.733 6.209 330 H PHE 43 H PHE 43 -11.522 -0.879 2.667 331 HA PHE 43 HA PHE 43 -11.890 -3.583 2.174 332 HB2 PHE 43 1HB PHE 43 -9.698 -1.742 1.257 333 HB3 PHE 43 2HB PHE 43 -9.930 -3.382 0.661 334 HD1 PHE 43 1HD PHE 43 -13.054 -2.081 1.436 335 HD2 PHE 43 2HD PHE 43 -9.998 -1.857 -1.539 336 HE1 PHE 43 1HE PHE 43 -14.696 -1.221 -0.196 337 HE2 PHE 43 2HE PHE 43 -11.635 -0.980 -3.150 338 HZ PHE 43 HZ PHE 43 -13.984 -0.668 -2.487 339 H SER 44 H SER 44 -9.806 -1.949 4.400 340 HA SER 44 HA SER 44 -7.973 -4.125 4.690 341 HB2 SER 44 1HB SER 44 -7.037 -2.867 6.525 342 HB3 SER 44 2HB SER 44 -7.311 -1.758 5.196 343 HG SER 44 HG SER 44 -9.457 -1.486 6.450 344 H GLU 45 H GLU 45 -11.066 -3.237 5.793 345 HA GLU 45 HA GLU 45 -11.011 -5.047 8.068 346 HB2 GLU 45 1HB GLU 45 -13.323 -3.600 6.755 347 HB3 GLU 45 2HB GLU 45 -13.431 -4.545 8.234 348 HG2 GLU 45 1HG GLU 45 -11.866 -2.011 7.816 349 HG3 GLU 45 2HG GLU 45 -13.325 -2.216 8.785 350 H GLN 46 H GLN 46 -11.483 -5.166 4.705 351 HA GLN 46 HA GLN 46 -12.513 -7.896 4.988 352 HB2 GLN 46 1HB GLN 46 -13.128 -7.296 2.408 353 HB3 GLN 46 2HB GLN 46 -14.238 -7.184 3.762 354 HG2 GLN 46 1HG GLN 46 -14.032 -4.874 3.903 355 HG3 GLN 46 2HG GLN 46 -12.527 -4.849 3.003 356 HE21 GLN 46 1HE2 GLN 46 -13.535 -6.647 0.933 357 HE22 GLN 46 2HE2 GLN 46 -14.645 -5.727 -0.015 358 H TYR 47 H TYR 47 -9.627 -6.891 4.768 359 HA TYR 47 HA TYR 47 -8.925 -8.820 2.639 360 HB2 TYR 47 1HB TYR 47 -6.957 -7.350 4.406 361 HB3 TYR 47 2HB TYR 47 -6.584 -8.338 3.000 362 HD1 TYR 47 2HD TYR 47 -8.949 -7.036 1.339 363 HD2 TYR 47 1HD TYR 47 -5.668 -5.526 3.600 364 HE1 TYR 47 2HE TYR 47 -8.929 -5.013 -0.058 365 HE2 TYR 47 1HE TYR 47 -5.647 -3.491 2.207 366 HH TYR 47 HH TYR 47 -6.367 -2.756 0.007 367 HA PRO 48 HA PRO 48 -8.780 -11.696 6.160 368 HB2 PRO 48 1HB PRO 48 -9.183 -13.935 4.692 369 HB3 PRO 48 2HB PRO 48 -10.506 -12.893 5.227 370 HG2 PRO 48 1HG PRO 48 -9.177 -13.052 2.556 371 HG3 PRO 48 2HG PRO 48 -10.894 -12.854 2.944 372 HD2 PRO 48 1HD PRO 48 -9.265 -10.791 2.200 373 HD3 PRO 48 2HD PRO 48 -10.693 -10.592 3.229 374 H GLN 49 H GLN 49 -7.232 -12.176 2.975 375 HA GLN 49 HA GLN 49 -5.179 -13.818 4.204 376 HB2 GLN 49 1HB GLN 49 -6.342 -14.563 2.173 377 HB3 GLN 49 2HB GLN 49 -5.711 -13.165 1.313 378 HG2 GLN 49 1HG GLN 49 -3.410 -14.042 1.956 379 HG3 GLN 49 2HG GLN 49 -4.254 -15.530 2.373 380 HE21 GLN 49 1HE2 GLN 49 -3.306 -13.401 -0.182 381 HE22 GLN 49 2HE2 GLN 49 -3.652 -14.474 -1.490 382 H ALA 50 H ALA 50 -5.630 -10.642 3.046 383 HA ALA 50 HA ALA 50 -2.780 -10.273 2.539 384 HB1 ALA 50 1HB ALA 50 -3.565 -8.102 1.498 385 HB2 ALA 50 2HB ALA 50 -5.203 -8.734 1.657 386 HB3 ALA 50 3HB ALA 50 -4.020 -9.585 0.666 387 H ASP 51 H ASP 51 -1.676 -8.610 3.437 388 HA ASP 51 HA ASP 51 -2.905 -7.461 5.827 389 HB2 ASP 51 1HB ASP 51 -0.098 -8.215 5.147 390 HB3 ASP 51 2HB ASP 51 -0.351 -6.888 6.277 391 H PHE 52 H PHE 52 -3.044 -5.413 6.168 392 HA PHE 52 HA PHE 52 -2.699 -3.702 3.814 393 HB2 PHE 52 1HB PHE 52 -4.642 -2.473 5.117 394 HB3 PHE 52 2HB PHE 52 -4.980 -3.887 4.126 395 HD1 PHE 52 1HD PHE 52 -5.310 -6.119 5.239 396 HD2 PHE 52 2HD PHE 52 -4.955 -2.516 7.452 397 HE1 PHE 52 1HE PHE 52 -6.275 -7.235 7.195 398 HE2 PHE 52 2HE PHE 52 -5.919 -3.624 9.416 399 HZ PHE 52 HZ PHE 52 -6.573 -5.990 9.293 400 H TYR 53 H TYR 53 -1.151 -2.210 4.040 401 HA TYR 53 HA TYR 53 -1.007 -0.765 6.598 402 HB2 TYR 53 1HB TYR 53 1.473 -1.491 5.039 403 HB3 TYR 53 2HB TYR 53 1.366 -0.835 6.680 404 HD1 TYR 53 2HD TYR 53 0.376 -2.320 8.488 405 HD2 TYR 53 1HD TYR 53 1.607 -3.825 4.713 406 HE1 TYR 53 2HE TYR 53 0.537 -4.572 9.452 407 HE2 TYR 53 1HE TYR 53 1.773 -6.085 5.667 408 HH TYR 53 HH TYR 53 2.095 -7.132 7.861 409 H LYS 54 H LYS 54 -0.061 1.389 6.384 410 HA LYS 54 HA LYS 54 0.327 2.339 3.647 411 HB2 LYS 54 1HB LYS 54 -1.673 3.559 5.557 412 HB3 LYS 54 2HB LYS 54 -1.069 4.397 4.134 413 HG2 LYS 54 1HG LYS 54 -1.915 2.442 2.772 414 HG3 LYS 54 2HG LYS 54 -2.710 1.877 4.225 415 HD2 LYS 54 1HD LYS 54 -3.203 4.629 3.126 416 HD3 LYS 54 2HD LYS 54 -4.108 3.226 2.550 417 HE2 LYS 54 1HE LYS 54 -5.453 4.206 4.201 418 HE3 LYS 54 2HE LYS 54 -4.717 2.803 4.972 419 HZ1 LYS 54 3HZ LYS 54 -3.748 5.600 5.269 420 HZ2 LYS 54 1HZ LYS 54 -3.165 4.246 6.092 421 HZ3 LYS 54 2HZ LYS 54 -4.732 4.802 6.382 422 H LEU 55 H LEU 55 2.019 3.655 3.433 423 HA LEU 55 HA LEU 55 3.503 4.392 5.884 424 HB2 LEU 55 1HB LEU 55 4.408 4.649 3.014 425 HB3 LEU 55 2HB LEU 55 5.403 4.761 4.440 426 HG LEU 55 HG LEU 55 4.044 2.262 3.470 427 HD11 LEU 55 1HD1 LEU 55 5.850 2.967 1.992 428 HD12 LEU 55 2HD1 LEU 55 6.296 1.519 2.895 429 HD13 LEU 55 3HD1 LEU 55 6.939 3.090 3.373 430 HD21 LEU 55 3HD2 LEU 55 4.286 2.278 5.870 431 HD22 LEU 55 1HD2 LEU 55 5.984 2.732 5.714 432 HD23 LEU 55 2HD2 LEU 55 5.435 1.154 5.142 433 H ASP 56 H ASP 56 3.467 6.531 6.590 434 HA ASP 56 HA ASP 56 2.656 8.620 4.803 435 HB2 ASP 56 1HB ASP 56 3.250 10.169 6.551 436 HB3 ASP 56 2HB ASP 56 2.367 8.834 7.269 437 H VAL 57 H VAL 57 3.852 9.475 3.276 438 HA VAL 57 HA VAL 57 6.402 8.454 2.676 439 HB VAL 57 HB VAL 57 4.421 9.670 1.296 440 HG11 VAL 57 1HG1 VAL 57 6.625 11.722 1.366 441 HG12 VAL 57 2HG1 VAL 57 5.029 11.907 2.092 442 HG13 VAL 57 3HG1 VAL 57 5.190 11.756 0.340 443 HG21 VAL 57 3HG2 VAL 57 5.974 8.151 0.353 444 HG22 VAL 57 1HG2 VAL 57 7.285 9.327 0.483 445 HG23 VAL 57 2HG2 VAL 57 5.952 9.614 -0.636 446 H ASP 58 H ASP 58 5.485 10.911 4.792 447 HA ASP 58 HA ASP 58 7.717 12.654 4.455 448 HB2 ASP 58 1HB ASP 58 5.648 13.478 5.415 449 HB3 ASP 58 2HB ASP 58 5.775 12.332 6.747 450 H GLU 59 H GLU 59 6.899 10.121 6.856 451 HA GLU 59 HA GLU 59 9.624 10.114 7.842 452 HB2 GLU 59 1HB GLU 59 7.265 8.307 8.352 453 HB3 GLU 59 2HB GLU 59 8.854 8.006 9.035 454 HG2 GLU 59 1HG GLU 59 7.211 10.482 9.494 455 HG3 GLU 59 2HG GLU 59 7.335 9.121 10.604 456 H LEU 60 H LEU 60 7.715 8.387 5.493 457 HA LEU 60 HA LEU 60 9.918 6.506 5.048 458 HB2 LEU 60 1HB LEU 60 6.994 6.395 4.335 459 HB3 LEU 60 2HB LEU 60 8.167 5.343 3.570 460 HG LEU 60 HG LEU 60 7.205 4.081 5.307 461 HD11 LEU 60 1HD1 LEU 60 9.783 5.157 6.425 462 HD12 LEU 60 2HD1 LEU 60 9.652 3.902 5.190 463 HD13 LEU 60 3HD1 LEU 60 9.027 3.613 6.820 464 HD21 LEU 60 3HD2 LEU 60 6.135 5.904 6.513 465 HD22 LEU 60 1HD2 LEU 60 7.698 6.398 7.165 466 HD23 LEU 60 2HD2 LEU 60 7.009 4.837 7.613 467 H GLY 61 H GLY 61 10.674 8.845 4.154 468 HA2 GLY 61 1HA GLY 61 9.851 9.365 1.447 469 HA3 GLY 61 2HA GLY 61 11.156 10.158 2.312 470 H ASP 62 H ASP 62 12.659 7.858 2.991 471 HA ASP 62 HA ASP 62 14.171 7.583 0.623 472 HB2 ASP 62 1HB ASP 62 15.273 7.367 2.765 473 HB3 ASP 62 2HB ASP 62 14.260 5.990 3.189 474 H VAL 63 H VAL 63 12.033 5.316 2.325 475 HA VAL 63 HA VAL 63 12.353 3.185 0.530 476 HB VAL 63 HB VAL 63 11.348 2.742 2.678 477 HG11 VAL 63 1HG1 VAL 63 9.192 3.520 3.334 478 HG12 VAL 63 2HG1 VAL 63 9.043 4.449 1.838 479 HG13 VAL 63 3HG1 VAL 63 10.271 4.883 3.027 480 HG21 VAL 63 3HG2 VAL 63 9.355 2.351 0.466 481 HG22 VAL 63 1HG2 VAL 63 9.334 1.506 2.015 482 HG23 VAL 63 2HG2 VAL 63 10.673 1.258 0.892 483 H ALA 64 H ALA 64 10.109 5.900 0.573 484 HA ALA 64 HA ALA 64 8.539 5.225 -1.618 485 HB1 ALA 64 1HB ALA 64 8.077 7.616 -1.820 486 HB2 ALA 64 2HB ALA 64 9.435 7.967 -0.748 487 HB3 ALA 64 3HB ALA 64 8.032 7.089 -0.138 488 H GLN 65 H GLN 65 11.701 6.782 -1.485 489 HA GLN 65 HA GLN 65 11.757 7.396 -4.277 490 HB2 GLN 65 1HB GLN 65 13.890 7.379 -2.138 491 HB3 GLN 65 2HB GLN 65 14.181 7.897 -3.797 492 HG2 GLN 65 1HG GLN 65 12.155 9.126 -1.940 493 HG3 GLN 65 2HG GLN 65 13.770 9.759 -2.238 494 HE21 GLN 65 1HE2 GLN 65 14.250 10.655 -4.254 495 HE22 GLN 65 2HE2 GLN 65 13.010 11.162 -5.346 496 H LYS 66 H LYS 66 12.948 4.807 -2.237 497 HA LYS 66 HA LYS 66 14.517 3.463 -4.092 498 HB2 LYS 66 1HB LYS 66 12.875 2.378 -1.812 499 HB3 LYS 66 2HB LYS 66 14.157 1.508 -2.637 500 HG2 LYS 66 1HG LYS 66 15.609 3.553 -1.943 501 HG3 LYS 66 2HG LYS 66 14.315 3.804 -0.771 502 HD2 LYS 66 1HD LYS 66 15.887 1.252 -1.070 503 HD3 LYS 66 2HD LYS 66 16.217 2.497 0.131 504 HE2 LYS 66 1HE LYS 66 13.983 2.168 1.073 505 HE3 LYS 66 2HE LYS 66 13.660 0.920 -0.129 506 HZ1 LYS 66 3HZ LYS 66 15.516 -0.358 0.791 507 HZ2 LYS 66 1HZ LYS 66 14.324 -0.066 1.955 508 HZ3 LYS 66 2HZ LYS 66 15.757 0.828 1.970 509 H ASN 67 H ASN 67 11.075 3.441 -3.498 510 HA ASN 67 HA ASN 67 10.699 1.397 -5.552 511 HB2 ASN 67 1HB ASN 67 8.806 2.598 -3.528 512 HB3 ASN 67 2HB ASN 67 8.310 1.444 -4.763 513 HD21 ASN 67 1HD2 ASN 67 10.224 1.922 -1.890 514 HD22 ASN 67 2HD2 ASN 67 10.461 0.248 -1.520 515 H GLU 68 H GLU 68 11.296 4.448 -5.747 516 HA GLU 68 HA GLU 68 11.007 6.044 -7.329 517 HB2 GLU 68 1HB GLU 68 9.696 3.795 -8.862 518 HB3 GLU 68 2HB GLU 68 10.257 5.312 -9.551 519 HG2 GLU 68 1HG GLU 68 12.537 4.766 -9.015 520 HG3 GLU 68 2HG GLU 68 12.024 3.305 -8.174 521 H VAL 69 H VAL 69 9.071 6.012 -5.317 522 HA VAL 69 HA VAL 69 6.450 6.238 -6.518 523 HB VAL 69 HB VAL 69 7.381 6.780 -3.694 524 HG11 VAL 69 1HG1 VAL 69 5.364 8.049 -4.200 525 HG12 VAL 69 2HG1 VAL 69 5.007 6.725 -3.090 526 HG13 VAL 69 3HG1 VAL 69 4.578 6.586 -4.795 527 HG21 VAL 69 3HG2 VAL 69 6.305 4.634 -3.189 528 HG22 VAL 69 1HG2 VAL 69 7.627 4.454 -4.342 529 HG23 VAL 69 2HG2 VAL 69 5.955 4.416 -4.904 530 H SER 70 H SER 70 5.577 8.024 -7.293 531 HA SER 70 HA SER 70 6.668 10.618 -6.445 532 HB2 SER 70 1HB SER 70 6.086 11.404 -8.783 533 HB3 SER 70 2HB SER 70 7.433 10.271 -8.683 534 HG SER 70 HG SER 70 6.283 9.296 -10.183 535 H ALA 71 H ALA 71 3.879 9.167 -8.114 536 HA ALA 71 HA ALA 71 2.067 11.202 -7.290 537 HB1 ALA 71 1HB ALA 71 0.337 9.775 -8.236 538 HB2 ALA 71 2HB ALA 71 1.475 8.432 -8.330 539 HB3 ALA 71 3HB ALA 71 1.721 9.867 -9.324 540 H MET 72 H MET 72 0.166 10.832 -5.918 541 HA MET 72 HA MET 72 0.547 8.758 -3.895 542 HB2 MET 72 1HB MET 72 -0.051 10.549 -2.144 543 HB3 MET 72 2HB MET 72 1.593 10.502 -2.761 544 HG2 MET 72 1HG MET 72 0.942 12.772 -2.639 545 HG3 MET 72 2HG MET 72 0.971 12.328 -4.341 546 HE1 MET 72 3HE MET 72 -0.391 14.974 -3.393 547 HE2 MET 72 1HE MET 72 -1.911 14.928 -4.287 548 HE3 MET 72 2HE MET 72 -0.414 14.417 -5.065 549 HA PRO 73 HA PRO 73 -0.283 7.970 -2.233 550 HB2 PRO 73 1HB PRO 73 -1.896 5.883 -1.655 551 HB3 PRO 73 2HB PRO 73 -2.019 7.429 -0.804 552 HG2 PRO 73 1HG PRO 73 -3.679 6.370 -3.062 553 HG3 PRO 73 2HG PRO 73 -4.200 7.210 -1.589 554 HD2 PRO 73 1HD PRO 73 -3.957 8.466 -3.982 555 HD3 PRO 73 2HD PRO 73 -3.684 9.283 -2.433 556 H THR 74 H THR 74 0.594 5.718 -2.426 557 HA THR 74 HA THR 74 0.217 4.641 -5.125 558 HB THR 74 HB THR 74 2.830 5.010 -3.655 559 HG1 THR 74 1HG THR 74 2.284 6.834 -4.825 560 HG21 THR 74 3HG2 THR 74 2.300 3.522 -6.231 561 HG22 THR 74 1HG2 THR 74 2.811 2.805 -4.704 562 HG23 THR 74 2HG2 THR 74 3.893 3.894 -5.572 563 H LEU 75 H LEU 75 -0.520 2.658 -5.058 564 HA LEU 75 HA LEU 75 -0.305 1.153 -2.555 565 HB2 LEU 75 1HB LEU 75 -2.332 1.400 -4.693 566 HB3 LEU 75 2HB LEU 75 -2.144 -0.174 -3.956 567 HG LEU 75 HG LEU 75 -3.954 1.095 -2.908 568 HD11 LEU 75 1HD1 LEU 75 -1.565 0.717 -1.117 569 HD12 LEU 75 2HD1 LEU 75 -2.774 -0.495 -1.533 570 HD13 LEU 75 3HD1 LEU 75 -3.230 0.909 -0.571 571 HD21 LEU 75 3HD2 LEU 75 -3.220 3.347 -3.277 572 HD22 LEU 75 1HD2 LEU 75 -1.802 3.097 -2.258 573 HD23 LEU 75 2HD2 LEU 75 -3.414 3.091 -1.543 574 H LEU 76 H LEU 76 1.308 -0.255 -2.612 575 HA LEU 76 HA LEU 76 1.571 -1.899 -5.042 576 HB2 LEU 76 1HB LEU 76 3.847 -1.216 -3.174 577 HB3 LEU 76 2HB LEU 76 3.951 -2.020 -4.725 578 HG LEU 76 HG LEU 76 3.253 0.883 -4.284 579 HD11 LEU 76 1HD1 LEU 76 5.607 0.340 -3.849 580 HD12 LEU 76 2HD1 LEU 76 5.414 1.338 -5.289 581 HD13 LEU 76 3HD1 LEU 76 5.725 -0.392 -5.448 582 HD21 LEU 76 3HD2 LEU 76 3.620 -0.688 -6.827 583 HD22 LEU 76 1HD2 LEU 76 3.421 1.061 -6.723 584 HD23 LEU 76 2HD2 LEU 76 2.108 -0.006 -6.228 585 H LEU 77 H LEU 77 0.815 -3.858 -4.569 586 HA LEU 77 HA LEU 77 1.308 -4.882 -1.881 587 HB2 LEU 77 1HB LEU 77 0.067 -6.861 -3.443 588 HB3 LEU 77 2HB LEU 77 -0.620 -5.925 -2.136 589 HG LEU 77 HG LEU 77 -0.632 -5.010 -5.013 590 HD11 LEU 77 1HD1 LEU 77 -3.009 -5.751 -4.940 591 HD12 LEU 77 2HD1 LEU 77 -2.682 -6.513 -3.380 592 HD13 LEU 77 3HD1 LEU 77 -1.855 -7.079 -4.837 593 HD21 LEU 77 3HD2 LEU 77 -2.210 -3.396 -4.343 594 HD22 LEU 77 1HD2 LEU 77 -0.933 -3.314 -3.131 595 HD23 LEU 77 2HD2 LEU 77 -2.445 -4.149 -2.769 596 H PHE 78 H PHE 78 2.764 -6.343 -1.412 597 HA PHE 78 HA PHE 78 4.444 -7.267 -3.626 598 HB2 PHE 78 1HB PHE 78 5.069 -6.447 -0.815 599 HB3 PHE 78 2HB PHE 78 6.170 -7.488 -1.700 600 HD1 PHE 78 2HD PHE 78 4.553 -4.165 -1.686 601 HD2 PHE 78 1HD PHE 78 7.631 -6.601 -3.331 602 HE1 PHE 78 2HE PHE 78 5.570 -2.180 -2.721 603 HE2 PHE 78 1HE PHE 78 8.651 -4.617 -4.365 604 HZ PHE 78 HZ PHE 78 7.620 -2.403 -4.062 605 H LYS 79 H LYS 79 5.535 -9.276 -3.361 606 HA LYS 79 HA LYS 79 4.373 -11.198 -1.494 607 HB2 LYS 79 1HB LYS 79 2.999 -11.507 -3.392 608 HB3 LYS 79 2HB LYS 79 4.342 -11.296 -4.502 609 HG2 LYS 79 1HG LYS 79 3.748 -13.588 -4.530 610 HG3 LYS 79 2HG LYS 79 5.257 -13.460 -3.631 611 HD2 LYS 79 1HD LYS 79 3.792 -15.000 -2.506 612 HD3 LYS 79 2HD LYS 79 3.966 -13.545 -1.524 613 HE2 LYS 79 1HE LYS 79 1.812 -12.786 -2.077 614 HE3 LYS 79 2HE LYS 79 1.675 -13.907 -3.431 615 HZ1 LYS 79 3HZ LYS 79 1.477 -15.729 -1.945 616 HZ2 LYS 79 1HZ LYS 79 0.387 -14.547 -1.423 617 HZ3 LYS 79 2HZ LYS 79 1.848 -14.777 -0.600 618 H ASN 80 H ASN 80 6.028 -12.235 -0.562 619 HA ASN 80 HA ASN 80 8.201 -12.754 -0.091 620 HB2 ASN 80 1HB ASN 80 9.047 -14.600 -1.682 621 HB3 ASN 80 2HB ASN 80 7.590 -14.876 -0.751 622 HD21 ASN 80 1HD2 ASN 80 7.926 -13.024 -3.762 623 HD22 ASN 80 2HD2 ASN 80 6.844 -14.024 -4.671 624 H GLY 81 H GLY 81 8.443 -10.309 -1.050 625 HA2 GLY 81 1HA GLY 81 10.075 -8.867 -1.755 626 HA3 GLY 81 2HA GLY 81 11.162 -10.243 -1.764 627 H LYS 82 H LYS 82 8.374 -10.481 -3.785 628 HA LYS 82 HA LYS 82 10.024 -9.826 -6.127 629 HB2 LYS 82 1HB LYS 82 8.155 -12.144 -5.664 630 HB3 LYS 82 2HB LYS 82 8.717 -11.675 -7.253 631 HG2 LYS 82 1HG LYS 82 11.021 -12.088 -6.580 632 HG3 LYS 82 2HG LYS 82 10.468 -12.529 -4.962 633 HD2 LYS 82 1HD LYS 82 9.187 -14.389 -5.912 634 HD3 LYS 82 2HD LYS 82 9.740 -13.944 -7.527 635 HE2 LYS 82 1HE LYS 82 12.045 -14.376 -6.873 636 HE3 LYS 82 2HE LYS 82 11.520 -14.771 -5.238 637 HZ1 LYS 82 3HZ LYS 82 10.773 -16.258 -7.696 638 HZ2 LYS 82 1HZ LYS 82 10.279 -16.641 -6.125 639 HZ3 LYS 82 2HZ LYS 82 11.910 -16.756 -6.549 640 H GLU 83 H GLU 83 7.595 -8.720 -4.411 641 HA GLU 83 HA GLU 83 5.839 -7.337 -4.766 642 HB2 GLU 83 1HB GLU 83 7.444 -6.485 -6.586 643 HB3 GLU 83 2HB GLU 83 6.476 -7.418 -7.713 644 HG2 GLU 83 1HG GLU 83 4.496 -6.093 -7.021 645 HG3 GLU 83 2HG GLU 83 5.561 -5.103 -6.024 646 H VAL 84 H VAL 84 3.677 -7.247 -6.104 647 HA VAL 84 HA VAL 84 3.084 -9.753 -7.431 648 HB VAL 84 HB VAL 84 2.419 -9.732 -4.899 649 HG11 VAL 84 1HG1 VAL 84 0.030 -9.088 -4.614 650 HG12 VAL 84 2HG1 VAL 84 0.121 -8.274 -6.174 651 HG13 VAL 84 3HG1 VAL 84 1.133 -7.729 -4.836 652 HG21 VAL 84 3HG2 VAL 84 0.580 -11.275 -5.410 653 HG22 VAL 84 1HG2 VAL 84 2.014 -11.567 -6.395 654 HG23 VAL 84 2HG2 VAL 84 0.623 -10.733 -7.088 655 H ALA 85 H ALA 85 2.212 -6.458 -6.644 656 HA ALA 85 HA ALA 85 1.190 -6.043 -9.310 657 HB1 ALA 85 1HB ALA 85 -0.657 -5.561 -6.985 658 HB2 ALA 85 2HB ALA 85 -0.805 -6.907 -8.116 659 HB3 ALA 85 3HB ALA 85 -0.994 -5.245 -8.688 660 H LYS 86 H LYS 86 0.723 -3.781 -9.726 661 HA LYS 86 HA LYS 86 1.670 -1.964 -7.671 662 HB2 LYS 86 1HB LYS 86 3.679 -2.237 -8.880 663 HB3 LYS 86 2HB LYS 86 2.844 -2.234 -10.426 664 HG2 LYS 86 1HG LYS 86 2.381 0.128 -10.218 665 HG3 LYS 86 2HG LYS 86 3.101 0.153 -8.610 666 HD2 LYS 86 1HD LYS 86 5.268 -0.434 -9.555 667 HD3 LYS 86 2HD LYS 86 4.554 -0.515 -11.168 668 HE2 LYS 86 1HE LYS 86 3.978 1.851 -11.038 669 HE3 LYS 86 2HE LYS 86 4.662 1.946 -9.418 670 HZ1 LYS 86 3HZ LYS 86 6.204 2.770 -11.067 671 HZ2 LYS 86 1HZ LYS 86 6.159 1.302 -11.902 672 HZ3 LYS 86 2HZ LYS 86 6.824 1.375 -10.348 673 H VAL 87 H VAL 87 0.203 -0.458 -7.383 674 HA VAL 87 HA VAL 87 -0.906 0.845 -9.782 675 HB VAL 87 HB VAL 87 -2.367 0.737 -7.129 676 HG11 VAL 87 1HG1 VAL 87 -4.262 1.512 -8.519 677 HG12 VAL 87 2HG1 VAL 87 -3.187 1.566 -9.917 678 HG13 VAL 87 3HG1 VAL 87 -2.895 2.634 -8.538 679 HG21 VAL 87 3HG2 VAL 87 -3.017 -0.937 -9.559 680 HG22 VAL 87 1HG2 VAL 87 -3.859 -0.932 -8.005 681 HG23 VAL 87 2HG2 VAL 87 -2.207 -1.548 -8.116 682 H VAL 88 H VAL 88 -0.811 3.048 -9.762 683 HA VAL 88 HA VAL 88 0.386 4.312 -7.436 684 HB VAL 88 HB VAL 88 2.313 3.447 -8.486 685 HG11 VAL 88 1HG1 VAL 88 1.353 4.588 -11.103 686 HG12 VAL 88 2HG1 VAL 88 1.247 2.889 -10.626 687 HG13 VAL 88 3HG1 VAL 88 2.829 3.658 -10.834 688 HG21 VAL 88 3HG2 VAL 88 2.501 5.785 -7.766 689 HG22 VAL 88 1HG2 VAL 88 2.072 6.312 -9.396 690 HG23 VAL 88 2HG2 VAL 88 3.569 5.414 -9.122 691 H GLY 89 H GLY 89 -1.540 5.506 -7.377 692 HA2 GLY 89 1HA GLY 89 -1.422 8.072 -7.993 693 HA3 GLY 89 2HA GLY 89 -1.962 7.428 -9.535 694 H ALA 90 H ALA 90 -2.780 7.064 -6.086 695 HA ALA 90 HA ALA 90 -4.751 7.084 -4.963 696 HB1 ALA 90 1HB ALA 90 -6.431 8.684 -5.633 697 HB2 ALA 90 2HB ALA 90 -5.734 8.783 -7.249 698 HB3 ALA 90 3HB ALA 90 -4.824 9.384 -5.860 699 H ASN 91 H ASN 91 -5.338 4.956 -5.023 700 HA ASN 91 HA ASN 91 -7.342 4.257 -7.048 701 HB2 ASN 91 1HB ASN 91 -6.412 1.950 -7.114 702 HB3 ASN 91 2HB ASN 91 -5.332 3.166 -7.781 703 HD21 ASN 91 1HD2 ASN 91 -5.025 0.444 -6.496 704 HD22 ASN 91 2HD2 ASN 91 -3.779 0.669 -5.325 705 HA PRO 92 HA PRO 92 -9.057 3.010 -2.964 706 HB2 PRO 92 1HB PRO 92 -11.534 4.231 -3.881 707 HB3 PRO 92 2HB PRO 92 -10.580 4.620 -2.453 708 HG2 PRO 92 1HG PRO 92 -10.841 6.274 -4.622 709 HG3 PRO 92 2HG PRO 92 -9.468 6.308 -3.504 710 HD2 PRO 92 1HD PRO 92 -9.670 5.117 -6.233 711 HD3 PRO 92 2HD PRO 92 -8.290 5.910 -5.447 712 H ALA 93 H ALA 93 -10.573 3.167 -6.189 713 HA ALA 93 HA ALA 93 -11.989 0.676 -5.713 714 HB1 ALA 93 1HB ALA 93 -13.117 2.472 -6.927 715 HB2 ALA 93 2HB ALA 93 -12.961 1.022 -7.918 716 HB3 ALA 93 3HB ALA 93 -11.888 2.395 -8.189 717 H ALA 94 H ALA 94 -9.291 1.869 -7.637 718 HA ALA 94 HA ALA 94 -8.927 -0.551 -9.116 719 HB1 ALA 94 1HB ALA 94 -7.170 1.861 -8.746 720 HB2 ALA 94 2HB ALA 94 -8.159 1.438 -10.139 721 HB3 ALA 94 3HB ALA 94 -6.731 0.482 -9.747 722 H ILE 95 H ILE 95 -7.959 0.468 -5.939 723 HA ILE 95 HA ILE 95 -5.821 -1.297 -5.570 724 HB ILE 95 HB ILE 95 -6.744 0.312 -3.792 725 HG12 ILE 95 1HG1 ILE 95 -5.793 -0.968 -2.008 726 HG13 ILE 95 2HG1 ILE 95 -6.246 -2.496 -2.763 727 HG21 ILE 95 1HG2 ILE 95 -9.064 -0.491 -3.845 728 HG22 ILE 95 2HG2 ILE 95 -8.366 -0.556 -2.227 729 HG23 ILE 95 3HG2 ILE 95 -8.527 -2.040 -3.178 730 HD11 ILE 95 3HD1 ILE 95 -4.224 -0.596 -3.919 731 HD12 ILE 95 1HD1 ILE 95 -4.566 -2.249 -4.425 732 HD13 ILE 95 2HD1 ILE 95 -3.822 -1.944 -2.855 733 H LYS 96 H LYS 96 -9.280 -1.749 -5.620 734 HA LYS 96 HA LYS 96 -9.410 -4.393 -4.773 735 HB2 LYS 96 1HB LYS 96 -11.154 -2.700 -6.488 736 HB3 LYS 96 2HB LYS 96 -11.435 -4.435 -6.495 737 HG2 LYS 96 1HG LYS 96 -11.486 -2.619 -4.104 738 HG3 LYS 96 2HG LYS 96 -12.869 -3.388 -4.881 739 HD2 LYS 96 1HD LYS 96 -11.723 -5.601 -4.370 740 HD3 LYS 96 2HD LYS 96 -10.642 -4.678 -3.320 741 HE2 LYS 96 1HE LYS 96 -12.454 -5.619 -2.017 742 HE3 LYS 96 2HE LYS 96 -12.608 -3.863 -2.069 743 HZ1 LYS 96 3HZ LYS 96 -14.288 -4.084 -3.777 744 HZ2 LYS 96 1HZ LYS 96 -14.733 -4.982 -2.416 745 HZ3 LYS 96 2HZ LYS 96 -14.117 -5.763 -3.781 746 H GLN 97 H GLN 97 -8.726 -3.040 -7.950 747 HA GLN 97 HA GLN 97 -8.660 -5.324 -9.503 748 HB2 GLN 97 1HB GLN 97 -8.385 -3.101 -10.448 749 HB3 GLN 97 2HB GLN 97 -6.878 -2.874 -9.583 750 HG2 GLN 97 1HG GLN 97 -7.055 -5.161 -11.474 751 HG3 GLN 97 2HG GLN 97 -6.961 -3.537 -12.147 752 HE21 GLN 97 1HE2 GLN 97 -5.257 -6.062 -10.512 753 HE22 GLN 97 2HE2 GLN 97 -3.693 -5.312 -10.521 754 H ALA 98 H ALA 98 -5.942 -3.866 -7.707 755 HA ALA 98 HA ALA 98 -4.268 -6.155 -8.183 756 HB1 ALA 98 1HB ALA 98 -3.884 -3.840 -6.273 757 HB2 ALA 98 2HB ALA 98 -3.297 -3.911 -7.932 758 HB3 ALA 98 3HB ALA 98 -2.640 -5.011 -6.718 759 H ILE 99 H ILE 99 -6.316 -5.083 -5.676 760 HA ILE 99 HA ILE 99 -5.208 -6.697 -3.632 761 HB ILE 99 HB ILE 99 -6.928 -4.532 -3.716 762 HG12 ILE 99 1HG1 ILE 99 -5.313 -4.793 -2.025 763 HG13 ILE 99 2HG1 ILE 99 -6.873 -4.835 -1.201 764 HG21 ILE 99 1HG2 ILE 99 -8.445 -6.713 -2.340 765 HG22 ILE 99 2HG2 ILE 99 -8.838 -6.126 -3.955 766 HG23 ILE 99 3HG2 ILE 99 -8.912 -5.023 -2.576 767 HD11 ILE 99 3HD1 ILE 99 -6.024 -6.674 -0.235 768 HD12 ILE 99 1HD1 ILE 99 -4.879 -6.960 -1.552 769 HD13 ILE 99 2HD1 ILE 99 -6.568 -7.442 -1.741 770 H ALA 100 H ALA 100 -7.947 -7.074 -5.782 771 HA ALA 100 HA ALA 100 -8.755 -9.466 -4.376 772 HB1 ALA 100 1HB ALA 100 -9.946 -8.215 -6.854 773 HB2 ALA 100 2HB ALA 100 -10.491 -7.949 -5.199 774 HB3 ALA 100 3HB ALA 100 -10.640 -9.547 -5.930 775 H ALA 101 H ALA 101 -7.204 -8.541 -7.391 776 HA ALA 101 HA ALA 101 -7.292 -11.137 -8.557 777 HB1 ALA 101 1HB ALA 101 -7.033 -9.110 -9.906 778 HB2 ALA 101 2HB ALA 101 -5.731 -10.263 -10.197 779 HB3 ALA 101 3HB ALA 101 -5.444 -8.844 -9.192 780 H ASN 102 H ASN 102 -4.972 -9.436 -6.499 781 HA ASN 102 HA ASN 102 -3.166 -11.742 -6.776 782 HB2 ASN 102 1HB ASN 102 -2.693 -9.066 -5.472 783 HB3 ASN 102 2HB ASN 102 -1.500 -10.359 -5.592 784 HD21 ASN 102 1HD2 ASN 102 -3.159 -7.855 -7.222 785 HD22 ASN 102 2HD2 ASN 102 -2.302 -7.954 -8.728 786 H ALA 103 H ALA 103 -4.243 -9.755 -3.988 787 HA ALA 103 HA ALA 103 -3.821 -11.768 -2.063 788 HB1 ALA 103 1HB ALA 103 -5.166 -10.464 -0.554 789 HB2 ALA 103 2HB ALA 103 -5.920 -9.610 -1.896 790 HB3 ALA 103 3HB ALA 103 -4.221 -9.347 -1.540 Start of MODEL 15 1 H1 MET 1 1H MET 1 -9.125 -1.767 9.003 2 H2 MET 1 2H MET 1 -10.045 -1.226 10.317 3 H3 MET 1 3H MET 1 -8.797 -2.338 10.561 4 HA MET 1 HA MET 1 -8.446 0.440 9.610 5 HB2 MET 1 1HB MET 1 -9.121 0.374 11.961 6 HB3 MET 1 2HB MET 1 -7.884 -0.826 12.302 7 HG2 MET 1 1HG MET 1 -6.146 0.797 11.773 8 HG3 MET 1 2HG MET 1 -7.377 2.000 11.397 9 HE1 MET 1 3HE MET 1 -8.983 2.722 14.855 10 HE2 MET 1 1HE MET 1 -9.556 1.566 13.653 11 HE3 MET 1 2HE MET 1 -8.934 3.135 13.142 12 H VAL 2 H VAL 2 -6.463 0.866 8.772 13 HA VAL 2 HA VAL 2 -4.719 -1.459 8.508 14 HB VAL 2 HB VAL 2 -4.515 -0.937 6.365 15 HG11 VAL 2 1HG1 VAL 2 -6.795 -0.099 6.580 16 HG12 VAL 2 2HG1 VAL 2 -5.893 0.756 5.330 17 HG13 VAL 2 3HG1 VAL 2 -6.169 1.518 6.897 18 HG21 VAL 2 3HG2 VAL 2 -3.319 0.929 5.588 19 HG22 VAL 2 1HG2 VAL 2 -2.641 0.535 7.160 20 HG23 VAL 2 2HG2 VAL 2 -3.751 1.897 6.995 21 H THR 3 H THR 3 -2.546 -1.400 8.801 22 HA THR 3 HA THR 3 -1.751 0.296 10.998 23 HB THR 3 HB THR 3 -0.954 -2.284 9.864 24 HG1 THR 3 1HG THR 3 -1.455 -1.114 12.295 25 HG21 THR 3 3HG2 THR 3 1.122 -1.062 9.403 26 HG22 THR 3 1HG2 THR 3 1.344 -2.251 10.695 27 HG23 THR 3 2HG2 THR 3 1.185 -0.540 11.091 28 H GLN 4 H GLN 4 -0.098 1.671 11.058 29 HA GLN 4 HA GLN 4 1.094 2.514 8.516 30 HB2 GLN 4 1HB GLN 4 1.797 4.525 10.002 31 HB3 GLN 4 2HB GLN 4 0.116 4.395 9.504 32 HG2 GLN 4 1HG GLN 4 -0.457 4.574 11.630 33 HG3 GLN 4 2HG GLN 4 0.255 2.987 11.903 34 HE21 GLN 4 1HE2 GLN 4 2.984 4.082 11.325 35 HE22 GLN 4 2HE2 GLN 4 3.424 4.944 12.758 36 H PHE 5 H PHE 5 3.140 1.895 8.126 37 HA PHE 5 HA PHE 5 4.718 0.675 10.198 38 HB2 PHE 5 1HB PHE 5 5.244 1.300 7.307 39 HB3 PHE 5 2HB PHE 5 6.541 0.760 8.360 40 HD1 PHE 5 2HD PHE 5 4.886 -1.234 9.978 41 HD2 PHE 5 1HD PHE 5 5.209 -0.466 5.807 42 HE1 PHE 5 2HE PHE 5 4.293 -3.573 9.506 43 HE2 PHE 5 1HE PHE 5 4.631 -2.801 5.325 44 HZ PHE 5 HZ PHE 5 4.164 -4.362 7.178 45 H LYS 6 H LYS 6 6.994 1.378 10.560 46 HA LYS 6 HA LYS 6 7.074 4.308 10.841 47 HB2 LYS 6 1HB LYS 6 8.282 4.000 12.900 48 HB3 LYS 6 2HB LYS 6 6.811 3.038 12.955 49 HG2 LYS 6 1HG LYS 6 8.313 1.102 12.132 50 HG3 LYS 6 2HG LYS 6 9.645 2.135 12.662 51 HD2 LYS 6 1HD LYS 6 8.590 2.290 14.899 52 HD3 LYS 6 2HD LYS 6 7.359 1.149 14.362 53 HE2 LYS 6 1HE LYS 6 9.116 -0.518 13.935 54 HE3 LYS 6 2HE LYS 6 10.324 0.626 14.517 55 HZ1 LYS 6 3HZ LYS 6 9.196 0.629 16.673 56 HZ2 LYS 6 1HZ LYS 6 9.730 -0.920 16.251 57 HZ3 LYS 6 2HZ LYS 6 8.093 -0.521 16.105 58 H THR 7 H THR 7 8.849 1.452 9.902 59 HA THR 7 HA THR 7 11.008 3.180 8.960 60 HB THR 7 HB THR 7 12.561 1.234 9.315 61 HG1 THR 7 1HG THR 7 11.869 -0.201 11.018 62 HG21 THR 7 3HG2 THR 7 12.656 3.229 10.702 63 HG22 THR 7 1HG2 THR 7 12.947 1.790 11.678 64 HG23 THR 7 2HG2 THR 7 11.378 2.591 11.735 65 H ALA 8 H ALA 8 11.877 2.809 7.017 66 HA ALA 8 HA ALA 8 10.531 1.495 4.974 67 HB1 ALA 8 1HB ALA 8 13.521 1.886 5.216 68 HB2 ALA 8 2HB ALA 8 12.386 3.109 4.653 69 HB3 ALA 8 3HB ALA 8 12.615 1.624 3.727 70 H SER 9 H SER 9 13.016 0.415 7.201 71 HA SER 9 HA SER 9 13.550 -2.084 6.101 72 HB2 SER 9 1HB SER 9 13.719 -1.271 9.003 73 HB3 SER 9 2HB SER 9 14.574 -2.613 8.240 74 HG SER 9 HG SER 9 15.328 -0.758 6.760 75 H GLU 10 H GLU 10 10.996 -1.106 8.436 76 HA GLU 10 HA GLU 10 10.348 -3.917 8.753 77 HB2 GLU 10 1HB GLU 10 8.553 -3.276 10.233 78 HB3 GLU 10 2HB GLU 10 10.048 -2.485 10.687 79 HG2 GLU 10 1HG GLU 10 9.281 -0.388 9.943 80 HG3 GLU 10 2HG GLU 10 7.914 -1.111 9.086 81 H PHE 11 H PHE 11 9.331 -1.311 6.753 82 HA PHE 11 HA PHE 11 7.050 -2.574 5.617 83 HB2 PHE 11 1HB PHE 11 7.175 -0.357 5.026 84 HB3 PHE 11 2HB PHE 11 8.924 -0.383 4.819 85 HD1 PHE 11 2HD PHE 11 5.694 -1.071 3.248 86 HD2 PHE 11 1HD PHE 11 9.902 -0.963 2.698 87 HE1 PHE 11 2HE PHE 11 5.368 -1.219 0.816 88 HE2 PHE 11 1HE PHE 11 9.586 -1.109 0.260 89 HZ PHE 11 HZ PHE 11 7.319 -1.238 -0.682 90 H ASP 12 H ASP 12 10.493 -2.516 4.721 91 HA ASP 12 HA ASP 12 10.381 -4.223 2.529 92 HB2 ASP 12 1HB ASP 12 12.515 -3.435 4.466 93 HB3 ASP 12 2HB ASP 12 12.827 -4.738 3.335 94 H SER 13 H SER 13 10.664 -4.921 5.968 95 HA SER 13 HA SER 13 11.226 -7.673 5.690 96 HB2 SER 13 1HB SER 13 11.611 -6.311 7.764 97 HB3 SER 13 2HB SER 13 9.869 -6.312 8.029 98 HG SER 13 HG SER 13 11.621 -8.543 7.985 99 H ALA 14 H ALA 14 8.193 -5.872 5.966 100 HA ALA 14 HA ALA 14 6.514 -8.145 6.160 101 HB1 ALA 14 1HB ALA 14 5.667 -5.972 6.773 102 HB2 ALA 14 2HB ALA 14 4.710 -6.604 5.429 103 HB3 ALA 14 3HB ALA 14 5.933 -5.369 5.137 104 H ILE 15 H ILE 15 7.518 -6.144 3.405 105 HA ILE 15 HA ILE 15 5.950 -7.575 1.522 106 HB ILE 15 HB ILE 15 7.150 -6.313 -0.185 107 HG12 ILE 15 1HG1 ILE 15 8.792 -5.100 2.022 108 HG13 ILE 15 2HG1 ILE 15 9.367 -6.471 1.086 109 HG21 ILE 15 1HG2 ILE 15 6.438 -4.642 2.224 110 HG22 ILE 15 2HG2 ILE 15 5.310 -5.240 1.008 111 HG23 ILE 15 3HG2 ILE 15 6.543 -4.062 0.561 112 HD11 ILE 15 3HD1 ILE 15 9.180 -5.133 -0.954 113 HD12 ILE 15 1HD1 ILE 15 10.267 -4.401 0.226 114 HD13 ILE 15 2HD1 ILE 15 8.638 -3.760 0.011 115 H ALA 16 H ALA 16 8.920 -8.288 3.026 116 HA ALA 16 HA ALA 16 10.004 -9.810 0.809 117 HB1 ALA 16 1HB ALA 16 11.830 -10.331 2.299 118 HB2 ALA 16 2HB ALA 16 10.932 -9.676 3.667 119 HB3 ALA 16 3HB ALA 16 11.475 -8.603 2.373 120 H GLN 17 H GLN 17 7.637 -10.347 3.047 121 HA GLN 17 HA GLN 17 8.253 -13.147 3.495 122 HB2 GLN 17 1HB GLN 17 5.902 -11.450 4.356 123 HB3 GLN 17 2HB GLN 17 6.122 -13.139 4.794 124 HG2 GLN 17 1HG GLN 17 8.143 -12.607 5.994 125 HG3 GLN 17 2HG GLN 17 8.035 -10.923 5.484 126 HE21 GLN 17 1HE2 GLN 17 7.969 -10.166 7.571 127 HE22 GLN 17 2HE2 GLN 17 6.589 -10.357 8.594 128 H ASP 18 H ASP 18 6.547 -14.787 3.027 129 HA ASP 18 HA ASP 18 5.891 -14.645 0.233 130 HB2 ASP 18 1HB ASP 18 5.333 -16.790 2.290 131 HB3 ASP 18 2HB ASP 18 5.033 -16.959 0.567 132 H LYS 19 H LYS 19 4.454 -12.858 2.065 133 HA LYS 19 HA LYS 19 1.700 -13.778 1.791 134 HB2 LYS 19 1HB LYS 19 3.049 -11.837 3.601 135 HB3 LYS 19 2HB LYS 19 1.314 -11.783 3.310 136 HG2 LYS 19 1HG LYS 19 1.271 -14.189 3.873 137 HG3 LYS 19 2HG LYS 19 2.909 -14.003 4.504 138 HD2 LYS 19 1HD LYS 19 1.491 -13.723 6.375 139 HD3 LYS 19 2HD LYS 19 1.972 -12.091 5.906 140 HE2 LYS 19 1HE LYS 19 -0.326 -11.905 6.251 141 HE3 LYS 19 2HE LYS 19 -0.173 -12.080 4.502 142 HZ1 LYS 19 3HZ LYS 19 -0.663 -14.457 4.770 143 HZ2 LYS 19 1HZ LYS 19 -1.935 -13.477 5.302 144 HZ3 LYS 19 2HZ LYS 19 -0.909 -14.221 6.424 145 H LEU 20 H LEU 20 0.177 -11.941 1.670 146 HA LEU 20 HA LEU 20 0.916 -10.164 -0.551 147 HB2 LEU 20 1HB LEU 20 -1.244 -11.516 -0.550 148 HB3 LEU 20 2HB LEU 20 -1.801 -10.492 0.751 149 HG LEU 20 HG LEU 20 -2.792 -9.757 -1.299 150 HD11 LEU 20 1HD1 LEU 20 -2.271 -7.959 0.193 151 HD12 LEU 20 2HD1 LEU 20 -2.030 -7.433 -1.473 152 HD13 LEU 20 3HD1 LEU 20 -0.637 -7.836 -0.464 153 HD21 LEU 20 3HD2 LEU 20 -1.560 -9.065 -3.238 154 HD22 LEU 20 1HD2 LEU 20 -1.130 -10.726 -2.823 155 HD23 LEU 20 2HD2 LEU 20 -0.030 -9.408 -2.423 156 H VAL 21 H VAL 21 2.008 -8.452 0.224 157 HA VAL 21 HA VAL 21 0.809 -7.053 2.518 158 HB VAL 21 HB VAL 21 3.697 -7.010 1.597 159 HG11 VAL 21 1HG1 VAL 21 4.105 -5.521 3.495 160 HG12 VAL 21 2HG1 VAL 21 2.378 -5.501 3.855 161 HG13 VAL 21 3HG1 VAL 21 2.971 -4.791 2.351 162 HG21 VAL 21 3HG2 VAL 21 3.032 -9.019 2.842 163 HG22 VAL 21 1HG2 VAL 21 2.426 -8.005 4.151 164 HG23 VAL 21 2HG2 VAL 21 4.149 -8.019 3.771 165 H VAL 22 H VAL 22 -0.464 -5.512 1.766 166 HA VAL 22 HA VAL 22 0.558 -3.831 -0.392 167 HB VAL 22 HB VAL 22 -1.477 -4.332 -1.204 168 HG11 VAL 22 1HG1 VAL 22 -2.566 -4.541 1.586 169 HG12 VAL 22 2HG1 VAL 22 -2.105 -5.872 0.521 170 HG13 VAL 22 3HG1 VAL 22 -3.475 -4.846 0.103 171 HG21 VAL 22 3HG2 VAL 22 -1.540 -1.930 -0.935 172 HG22 VAL 22 1HG2 VAL 22 -2.217 -2.106 0.684 173 HG23 VAL 22 2HG2 VAL 22 -3.157 -2.604 -0.722 174 H VAL 23 H VAL 23 1.737 -2.267 0.379 175 HA VAL 23 HA VAL 23 0.720 -0.669 2.642 176 HB VAL 23 HB VAL 23 3.487 -0.591 1.429 177 HG11 VAL 23 1HG1 VAL 23 2.388 0.521 4.007 178 HG12 VAL 23 2HG1 VAL 23 2.877 1.446 2.587 179 HG13 VAL 23 3HG1 VAL 23 4.082 0.560 3.522 180 HG21 VAL 23 3HG2 VAL 23 2.383 -2.253 3.656 181 HG22 VAL 23 1HG2 VAL 23 4.075 -1.757 3.669 182 HG23 VAL 23 2HG2 VAL 23 3.446 -2.724 2.335 183 H ALA 24 H ALA 24 0.045 1.406 2.236 184 HA ALA 24 HA ALA 24 0.546 2.482 -0.452 185 HB1 ALA 24 1HB ALA 24 -1.847 2.104 0.415 186 HB2 ALA 24 2HB ALA 24 -1.458 3.609 -0.411 187 HB3 ALA 24 3HB ALA 24 -1.557 3.575 1.347 188 H PHE 25 H PHE 25 1.856 3.999 -0.731 189 HA PHE 25 HA PHE 25 3.001 5.478 1.425 190 HB2 PHE 25 1HB PHE 25 3.222 5.745 -1.574 191 HB3 PHE 25 2HB PHE 25 4.177 6.689 -0.434 192 HD1 PHE 25 2HD PHE 25 3.476 3.245 -1.602 193 HD2 PHE 25 1HD PHE 25 6.140 5.802 0.515 194 HE1 PHE 25 2HE PHE 25 5.152 1.444 -1.544 195 HE2 PHE 25 1HE PHE 25 7.824 4.004 0.567 196 HZ PHE 25 HZ PHE 25 7.327 1.824 -0.458 197 H TYR 26 H TYR 26 2.384 7.347 2.229 198 HA TYR 26 HA TYR 26 0.197 8.851 0.935 199 HB2 TYR 26 1HB TYR 26 0.663 7.934 3.724 200 HB3 TYR 26 2HB TYR 26 0.006 9.552 3.538 201 HD1 TYR 26 1HD TYR 26 -0.727 6.522 1.497 202 HD2 TYR 26 2HD TYR 26 -2.125 9.334 4.363 203 HE1 TYR 26 1HE TYR 26 -2.981 5.555 1.347 204 HE2 TYR 26 2HE TYR 26 -4.377 8.378 4.220 205 HH TYR 26 HH TYR 26 -5.710 7.085 2.563 206 H ALA 27 H ALA 27 0.100 11.049 2.338 207 HA ALA 27 HA ALA 27 2.653 12.051 3.168 208 HB1 ALA 27 1HB ALA 27 2.815 12.432 0.748 209 HB2 ALA 27 2HB ALA 27 2.690 13.962 1.619 210 HB3 ALA 27 3HB ALA 27 1.283 13.307 0.777 211 H THR 28 H THR 28 2.376 14.326 3.991 212 HA THR 28 HA THR 28 -0.078 14.527 5.471 213 HB THR 28 HB THR 28 1.120 16.736 6.214 214 HG1 THR 28 1HG THR 28 3.369 16.644 5.850 215 HG21 THR 28 3HG2 THR 28 2.242 14.002 6.843 216 HG22 THR 28 1HG2 THR 28 0.878 14.779 7.647 217 HG23 THR 28 2HG2 THR 28 2.498 15.456 7.808 218 H TRP 29 H TRP 29 0.742 15.372 2.408 219 HA TRP 29 HA TRP 29 -1.133 17.617 2.351 220 HB2 TRP 29 1HB TRP 29 0.485 18.461 0.440 221 HB3 TRP 29 2HB TRP 29 0.799 18.839 2.129 222 HD1 TRP 29 HD TRP 29 2.899 17.729 3.269 223 HE1 TRP 29 1HE TRP 29 4.967 16.506 2.340 224 HE3 TRP 29 3HE TRP 29 1.242 16.836 -1.483 225 HZ2 TRP 29 2HZ TRP 29 5.777 15.318 -0.085 226 HZ3 TRP 29 3HZ TRP 29 2.725 15.651 -3.043 227 HH2 TRP 29 HH TRP 29 4.946 14.908 -2.358 228 H CYS 30 H CYS 30 -2.186 15.251 1.730 229 HA CYS 30 HA CYS 30 -2.553 15.513 -1.141 230 HB2 CYS 30 1HB CYS 30 -2.420 13.008 -1.420 231 HB3 CYS 30 2HB CYS 30 -0.890 13.840 -1.165 232 H GLY 31 H GLY 31 -4.597 15.779 -1.449 233 HA2 GLY 31 1HA GLY 31 -6.657 15.025 0.325 234 HA3 GLY 31 2HA GLY 31 -6.865 15.577 -1.325 235 HA PRO 32 HA PRO 32 -7.554 11.438 -2.882 236 HB2 PRO 32 1HB PRO 32 -4.773 10.610 -3.471 237 HB3 PRO 32 2HB PRO 32 -6.178 10.678 -4.538 238 HG2 PRO 32 1HG PRO 32 -4.235 12.470 -4.760 239 HG3 PRO 32 2HG PRO 32 -5.935 12.952 -4.929 240 HD2 PRO 32 1HD PRO 32 -4.107 13.248 -2.568 241 HD3 PRO 32 2HD PRO 32 -5.242 14.422 -3.253 242 H CYS 33 H CYS 33 -4.612 11.453 -0.932 243 HA CYS 33 HA CYS 33 -4.684 8.876 0.110 244 HB2 CYS 33 1HB CYS 33 -3.915 11.400 1.587 245 HB3 CYS 33 2HB CYS 33 -3.391 9.761 1.966 246 H LYS 34 H LYS 34 -6.474 11.751 1.037 247 HA LYS 34 HA LYS 34 -7.603 10.709 3.389 248 HB2 LYS 34 1HB LYS 34 -7.593 13.095 2.917 249 HB3 LYS 34 2HB LYS 34 -8.635 12.849 1.523 250 HG2 LYS 34 1HG LYS 34 -9.918 13.707 3.368 251 HG3 LYS 34 2HG LYS 34 -10.413 12.049 3.019 252 HD2 LYS 34 1HD LYS 34 -8.963 11.267 4.860 253 HD3 LYS 34 2HD LYS 34 -8.571 12.946 5.234 254 HE2 LYS 34 1HE LYS 34 -11.296 11.660 5.346 255 HE3 LYS 34 2HE LYS 34 -10.305 12.146 6.721 256 HZ1 LYS 34 3HZ LYS 34 -10.470 14.455 5.911 257 HZ2 LYS 34 1HZ LYS 34 -11.972 13.794 6.326 258 HZ3 LYS 34 2HZ LYS 34 -11.534 13.939 4.701 259 H MET 35 H MET 35 -8.987 10.932 0.083 260 HA MET 35 HA MET 35 -11.472 9.822 0.775 261 HB2 MET 35 1HB MET 35 -11.837 9.481 -1.619 262 HB3 MET 35 2HB MET 35 -11.171 11.071 -1.285 263 HG2 MET 35 1HG MET 35 -8.961 10.263 -1.958 264 HG3 MET 35 2HG MET 35 -9.660 8.686 -2.304 265 HE1 MET 35 3HE MET 35 -10.612 12.536 -4.666 266 HE2 MET 35 1HE MET 35 -9.506 12.455 -3.296 267 HE3 MET 35 2HE MET 35 -11.241 12.252 -3.044 268 H ILE 36 H ILE 36 -8.633 8.149 -0.628 269 HA ILE 36 HA ILE 36 -10.062 5.671 -0.573 270 HB ILE 36 HB ILE 36 -8.555 5.004 -2.034 271 HG12 ILE 36 1HG1 ILE 36 -7.409 4.206 0.158 272 HG13 ILE 36 2HG1 ILE 36 -6.550 4.091 -1.362 273 HG21 ILE 36 1HG2 ILE 36 -6.689 6.404 -2.768 274 HG22 ILE 36 2HG2 ILE 36 -6.955 7.462 -1.383 275 HG23 ILE 36 3HG2 ILE 36 -8.197 7.305 -2.624 276 HD11 ILE 36 3HD1 ILE 36 -5.297 6.106 -0.807 277 HD12 ILE 36 1HD1 ILE 36 -5.120 4.874 0.446 278 HD13 ILE 36 2HD1 ILE 36 -6.196 6.252 0.706 279 H ALA 37 H ALA 37 -8.364 7.485 1.729 280 HA ALA 37 HA ALA 37 -7.233 5.500 3.305 281 HB1 ALA 37 1HB ALA 37 -6.835 7.914 3.584 282 HB2 ALA 37 2HB ALA 37 -7.191 7.076 5.103 283 HB3 ALA 37 3HB ALA 37 -8.430 8.062 4.332 284 HA PRO 38 HA PRO 38 -11.408 4.770 5.528 285 HB2 PRO 38 1HB PRO 38 -13.473 5.966 3.827 286 HB3 PRO 38 2HB PRO 38 -13.259 6.084 5.576 287 HG2 PRO 38 1HG PRO 38 -12.816 8.171 3.946 288 HG3 PRO 38 2HG PRO 38 -11.861 7.903 5.417 289 HD2 PRO 38 1HD PRO 38 -11.171 7.267 2.569 290 HD3 PRO 38 2HD PRO 38 -10.171 8.014 3.826 291 H MET 39 H MET 39 -11.400 5.078 1.970 292 HA MET 39 HA MET 39 -13.074 2.841 1.513 293 HB2 MET 39 1HB MET 39 -10.929 4.012 -0.239 294 HB3 MET 39 2HB MET 39 -12.055 2.775 -0.764 295 HG2 MET 39 1HG MET 39 -12.740 5.568 0.126 296 HG3 MET 39 2HG MET 39 -12.784 4.945 -1.521 297 HE1 MET 39 3HE MET 39 -15.737 2.368 -1.330 298 HE2 MET 39 1HE MET 39 -14.038 2.005 -1.022 299 HE3 MET 39 2HE MET 39 -14.484 3.080 -2.346 300 H ILE 40 H ILE 40 -9.472 2.912 1.214 301 HA ILE 40 HA ILE 40 -9.327 0.089 1.154 302 HB ILE 40 HB ILE 40 -7.307 2.265 1.567 303 HG12 ILE 40 1HG1 ILE 40 -7.677 0.141 -0.553 304 HG13 ILE 40 2HG1 ILE 40 -8.348 1.763 -0.646 305 HG21 ILE 40 1HG2 ILE 40 -5.524 0.573 1.500 306 HG22 ILE 40 2HG2 ILE 40 -6.742 -0.696 1.648 307 HG23 ILE 40 3HG2 ILE 40 -6.508 0.460 2.962 308 HD11 ILE 40 3HD1 ILE 40 -5.502 0.895 -0.813 309 HD12 ILE 40 1HD1 ILE 40 -5.942 2.554 -0.404 310 HD13 ILE 40 2HD1 ILE 40 -6.457 1.864 -1.943 311 H GLU 41 H GLU 41 -9.611 2.320 3.795 312 HA GLU 41 HA GLU 41 -8.920 0.542 5.872 313 HB2 GLU 41 1HB GLU 41 -9.404 2.971 6.187 314 HB3 GLU 41 2HB GLU 41 -11.105 2.631 5.911 315 HG2 GLU 41 1HG GLU 41 -11.202 1.260 7.883 316 HG3 GLU 41 2HG GLU 41 -9.467 1.438 8.130 317 H LYS 42 H LYS 42 -11.971 1.081 4.110 318 HA LYS 42 HA LYS 42 -13.416 -0.908 5.490 319 HB2 LYS 42 1HB LYS 42 -14.440 0.819 3.995 320 HB3 LYS 42 2HB LYS 42 -13.777 -0.039 2.612 321 HG2 LYS 42 1HG LYS 42 -15.122 -2.030 3.880 322 HG3 LYS 42 2HG LYS 42 -16.127 -0.629 4.258 323 HD2 LYS 42 1HD LYS 42 -16.027 -0.078 1.782 324 HD3 LYS 42 2HD LYS 42 -15.346 -1.693 1.560 325 HE2 LYS 42 1HE LYS 42 -18.024 -1.054 2.799 326 HE3 LYS 42 2HE LYS 42 -17.763 -1.673 1.172 327 HZ1 LYS 42 3HZ LYS 42 -16.757 -3.666 2.169 328 HZ2 LYS 42 1HZ LYS 42 -18.374 -3.458 2.627 329 HZ3 LYS 42 2HZ LYS 42 -17.138 -3.075 3.713 330 H PHE 43 H PHE 43 -11.335 -0.973 2.659 331 HA PHE 43 HA PHE 43 -11.812 -3.729 2.183 332 HB2 PHE 43 1HB PHE 43 -9.601 -1.999 1.111 333 HB3 PHE 43 2HB PHE 43 -10.005 -3.626 0.577 334 HD1 PHE 43 1HD PHE 43 -13.047 -2.327 1.349 335 HD2 PHE 43 2HD PHE 43 -9.956 -1.893 -1.580 336 HE1 PHE 43 1HE PHE 43 -14.667 -1.354 -0.243 337 HE2 PHE 43 2HE PHE 43 -11.578 -0.909 -3.137 338 HZ PHE 43 HZ PHE 43 -13.929 -0.648 -2.478 339 H SER 44 H SER 44 -9.876 -2.067 4.438 340 HA SER 44 HA SER 44 -7.965 -4.161 4.781 341 HB2 SER 44 1HB SER 44 -7.165 -2.953 6.634 342 HB3 SER 44 2HB SER 44 -7.684 -1.699 5.530 343 HG SER 44 HG SER 44 -9.725 -1.778 6.795 344 H GLU 45 H GLU 45 -11.198 -3.488 5.593 345 HA GLU 45 HA GLU 45 -11.369 -5.626 7.555 346 HB2 GLU 45 1HB GLU 45 -13.571 -4.120 6.123 347 HB3 GLU 45 2HB GLU 45 -13.786 -5.206 7.489 348 HG2 GLU 45 1HG GLU 45 -12.311 -2.583 7.506 349 HG3 GLU 45 2HG GLU 45 -13.896 -2.904 8.208 350 H GLN 46 H GLN 46 -11.470 -5.174 4.159 351 HA GLN 46 HA GLN 46 -12.853 -7.689 3.720 352 HB2 GLN 46 1HB GLN 46 -11.847 -5.877 1.555 353 HB3 GLN 46 2HB GLN 46 -13.128 -7.073 1.459 354 HG2 GLN 46 1HG GLN 46 -14.402 -5.622 3.095 355 HG3 GLN 46 2HG GLN 46 -13.189 -4.396 2.805 356 HE21 GLN 46 1HE2 GLN 46 -12.919 -5.286 -0.022 357 HE22 GLN 46 2HE2 GLN 46 -14.309 -4.641 -0.821 358 H TYR 47 H TYR 47 -9.757 -7.011 4.324 359 HA TYR 47 HA TYR 47 -8.832 -9.150 2.497 360 HB2 TYR 47 1HB TYR 47 -6.987 -7.597 4.310 361 HB3 TYR 47 2HB TYR 47 -6.566 -8.595 2.924 362 HD1 TYR 47 1HD TYR 47 -8.867 -7.331 1.188 363 HD2 TYR 47 2HD TYR 47 -5.665 -5.762 3.510 364 HE1 TYR 47 1HE TYR 47 -8.851 -5.305 -0.217 365 HE2 TYR 47 2HE TYR 47 -5.651 -3.724 2.120 366 HH TYR 47 HH TYR 47 -6.343 -3.011 -0.112 367 HA PRO 48 HA PRO 48 -9.447 -11.544 6.276 368 HB2 PRO 48 1HB PRO 48 -9.475 -13.851 4.501 369 HB3 PRO 48 2HB PRO 48 -10.772 -13.218 5.515 370 HG2 PRO 48 1HG PRO 48 -10.821 -13.104 2.803 371 HG3 PRO 48 2HG PRO 48 -11.618 -11.907 3.837 372 HD2 PRO 48 1HD PRO 48 -9.002 -11.726 2.395 373 HD3 PRO 48 2HD PRO 48 -10.263 -10.491 2.607 374 H GLN 49 H GLN 49 -7.342 -12.475 3.554 375 HA GLN 49 HA GLN 49 -5.600 -13.833 5.495 376 HB2 GLN 49 1HB GLN 49 -5.051 -15.424 3.913 377 HB3 GLN 49 2HB GLN 49 -6.704 -15.054 3.475 378 HG2 GLN 49 1HG GLN 49 -4.303 -13.889 2.150 379 HG3 GLN 49 2HG GLN 49 -5.244 -15.253 1.549 380 HE21 GLN 49 1HE2 GLN 49 -4.708 -12.685 0.423 381 HE22 GLN 49 2HE2 GLN 49 -6.231 -11.960 0.058 382 H ALA 50 H ALA 50 -5.766 -11.091 3.589 383 HA ALA 50 HA ALA 50 -2.879 -10.981 3.140 384 HB1 ALA 50 1HB ALA 50 -4.230 -10.686 1.138 385 HB2 ALA 50 2HB ALA 50 -3.384 -9.190 1.536 386 HB3 ALA 50 3HB ALA 50 -5.100 -9.357 1.901 387 H ASP 51 H ASP 51 -1.935 -8.785 3.373 388 HA ASP 51 HA ASP 51 -2.995 -7.611 5.840 389 HB2 ASP 51 1HB ASP 51 -0.272 -8.495 5.119 390 HB3 ASP 51 2HB ASP 51 -0.366 -6.969 5.996 391 H PHE 52 H PHE 52 -3.102 -5.565 6.145 392 HA PHE 52 HA PHE 52 -2.826 -3.846 3.783 393 HB2 PHE 52 1HB PHE 52 -4.783 -2.645 5.104 394 HB3 PHE 52 2HB PHE 52 -5.110 -4.047 4.087 395 HD1 PHE 52 2HD PHE 52 -5.475 -6.296 5.160 396 HD2 PHE 52 1HD PHE 52 -5.063 -2.747 7.441 397 HE1 PHE 52 2HE PHE 52 -6.444 -7.441 7.099 398 HE2 PHE 52 1HE PHE 52 -6.023 -3.881 9.395 399 HZ PHE 52 HZ PHE 52 -6.718 -6.234 9.225 400 H TYR 53 H TYR 53 -1.294 -2.326 4.037 401 HA TYR 53 HA TYR 53 -1.167 -0.922 6.622 402 HB2 TYR 53 1HB TYR 53 1.318 -1.539 5.024 403 HB3 TYR 53 2HB TYR 53 1.209 -0.916 6.671 404 HD1 TYR 53 1HD TYR 53 0.160 -2.504 8.425 405 HD2 TYR 53 2HD TYR 53 1.695 -3.821 4.697 406 HE1 TYR 53 1HE TYR 53 0.437 -4.761 9.352 407 HE2 TYR 53 2HE TYR 53 1.974 -6.089 5.611 408 HH TYR 53 HH TYR 53 0.531 -7.178 8.326 409 H LYS 54 H LYS 54 -0.313 1.270 6.436 410 HA LYS 54 HA LYS 54 0.132 2.244 3.720 411 HB2 LYS 54 1HB LYS 54 -1.965 3.371 5.566 412 HB3 LYS 54 2HB LYS 54 -1.293 4.296 4.228 413 HG2 LYS 54 1HG LYS 54 -2.023 2.435 2.705 414 HG3 LYS 54 2HG LYS 54 -2.861 1.728 4.069 415 HD2 LYS 54 1HD LYS 54 -3.393 4.545 3.189 416 HD3 LYS 54 2HD LYS 54 -4.219 3.178 2.439 417 HE2 LYS 54 1HE LYS 54 -5.672 3.961 4.112 418 HE3 LYS 54 2HE LYS 54 -4.929 2.510 4.781 419 HZ1 LYS 54 3HZ LYS 54 -3.501 3.838 6.125 420 HZ2 LYS 54 1HZ LYS 54 -5.071 4.416 6.342 421 HZ3 LYS 54 2HZ LYS 54 -3.988 5.264 5.366 422 H LEU 55 H LEU 55 1.795 3.598 3.563 423 HA LEU 55 HA LEU 55 2.953 4.617 6.068 424 HB2 LEU 55 1HB LEU 55 4.110 3.710 3.500 425 HB3 LEU 55 2HB LEU 55 4.953 4.899 4.447 426 HG LEU 55 HG LEU 55 4.048 2.247 5.514 427 HD11 LEU 55 1HD1 LEU 55 6.687 3.142 4.431 428 HD12 LEU 55 2HD1 LEU 55 5.689 1.795 3.890 429 HD13 LEU 55 3HD1 LEU 55 6.484 1.731 5.463 430 HD21 LEU 55 3HD2 LEU 55 5.942 3.043 7.174 431 HD22 LEU 55 1HD2 LEU 55 4.261 3.542 7.365 432 HD23 LEU 55 2HD2 LEU 55 5.420 4.627 6.610 433 H ASP 56 H ASP 56 4.358 6.683 5.602 434 HA ASP 56 HA ASP 56 3.014 8.496 3.716 435 HB2 ASP 56 1HB ASP 56 3.340 10.292 5.374 436 HB3 ASP 56 2HB ASP 56 2.239 9.056 5.957 437 H VAL 57 H VAL 57 4.402 9.582 2.419 438 HA VAL 57 HA VAL 57 7.152 8.834 2.395 439 HB VAL 57 HB VAL 57 7.400 10.391 0.530 440 HG11 VAL 57 1HG1 VAL 57 5.732 9.428 -0.987 441 HG12 VAL 57 2HG1 VAL 57 4.826 8.828 0.403 442 HG13 VAL 57 3HG1 VAL 57 6.445 8.211 0.072 443 HG21 VAL 57 3HG2 VAL 57 5.611 11.834 -0.209 444 HG22 VAL 57 1HG2 VAL 57 5.994 12.202 1.475 445 HG23 VAL 57 2HG2 VAL 57 4.562 11.250 1.083 446 H ASP 58 H ASP 58 5.533 11.096 4.224 447 HA ASP 58 HA ASP 58 7.408 13.231 4.222 448 HB2 ASP 58 1HB ASP 58 5.105 13.590 4.881 449 HB3 ASP 58 2HB ASP 58 5.272 12.449 6.211 450 H GLU 59 H GLU 59 6.854 10.440 6.354 451 HA GLU 59 HA GLU 59 9.506 10.914 7.530 452 HB2 GLU 59 1HB GLU 59 7.384 8.904 8.295 453 HB3 GLU 59 2HB GLU 59 8.913 9.139 9.130 454 HG2 GLU 59 1HG GLU 59 8.147 11.553 9.457 455 HG3 GLU 59 2HG GLU 59 6.551 10.969 8.996 456 H LEU 60 H LEU 60 7.772 8.833 5.398 457 HA LEU 60 HA LEU 60 9.996 6.929 5.232 458 HB2 LEU 60 1HB LEU 60 7.138 6.855 4.289 459 HB3 LEU 60 2HB LEU 60 8.323 5.695 3.727 460 HG LEU 60 HG LEU 60 6.964 4.724 5.470 461 HD11 LEU 60 1HD1 LEU 60 9.729 5.340 6.531 462 HD12 LEU 60 2HD1 LEU 60 9.348 4.078 5.360 463 HD13 LEU 60 3HD1 LEU 60 8.703 3.985 7.004 464 HD21 LEU 60 3HD2 LEU 60 7.001 5.598 7.770 465 HD22 LEU 60 1HD2 LEU 60 6.274 6.739 6.638 466 HD23 LEU 60 2HD2 LEU 60 7.920 6.998 7.217 467 H GLY 61 H GLY 61 10.868 9.176 4.178 468 HA2 GLY 61 1HA GLY 61 10.009 9.586 1.465 469 HA3 GLY 61 2HA GLY 61 11.364 10.377 2.261 470 H ASP 62 H ASP 62 12.827 8.112 3.020 471 HA ASP 62 HA ASP 62 14.260 7.693 0.618 472 HB2 ASP 62 1HB ASP 62 15.248 7.677 2.935 473 HB3 ASP 62 2HB ASP 62 14.533 6.085 3.161 474 H VAL 63 H VAL 63 12.161 5.538 2.533 475 HA VAL 63 HA VAL 63 12.442 3.295 0.861 476 HB VAL 63 HB VAL 63 11.419 3.011 3.045 477 HG11 VAL 63 1HG1 VAL 63 10.306 5.117 3.292 478 HG12 VAL 63 2HG1 VAL 63 9.177 3.779 3.531 479 HG13 VAL 63 3HG1 VAL 63 9.165 4.687 2.015 480 HG21 VAL 63 3HG2 VAL 63 9.478 2.448 0.827 481 HG22 VAL 63 1HG2 VAL 63 9.437 1.709 2.428 482 HG23 VAL 63 2HG2 VAL 63 10.800 1.401 1.349 483 H ALA 64 H ALA 64 10.227 6.020 0.783 484 HA ALA 64 HA ALA 64 8.606 5.257 -1.331 485 HB1 ALA 64 1HB ALA 64 8.139 7.622 -1.629 486 HB2 ALA 64 2HB ALA 64 9.563 8.039 -0.676 487 HB3 ALA 64 3HB ALA 64 8.202 7.216 0.086 488 H GLN 65 H GLN 65 11.835 6.650 -1.337 489 HA GLN 65 HA GLN 65 11.820 7.103 -4.172 490 HB2 GLN 65 1HB GLN 65 14.076 7.189 -2.158 491 HB3 GLN 65 2HB GLN 65 14.194 7.722 -3.835 492 HG2 GLN 65 1HG GLN 65 12.368 8.885 -1.746 493 HG3 GLN 65 2HG GLN 65 13.894 9.577 -2.272 494 HE21 GLN 65 1HE2 GLN 65 12.919 11.471 -2.931 495 HE22 GLN 65 2HE2 GLN 65 11.946 11.572 -4.355 496 H LYS 66 H LYS 66 12.971 4.608 -1.986 497 HA LYS 66 HA LYS 66 14.460 3.101 -3.792 498 HB2 LYS 66 1HB LYS 66 12.771 2.211 -1.461 499 HB3 LYS 66 2HB LYS 66 13.961 1.215 -2.275 500 HG2 LYS 66 1HG LYS 66 15.610 3.110 -1.645 501 HG3 LYS 66 2HG LYS 66 14.352 3.554 -0.486 502 HD2 LYS 66 1HD LYS 66 15.708 0.864 -0.688 503 HD3 LYS 66 2HD LYS 66 16.018 2.087 0.544 504 HE2 LYS 66 1HE LYS 66 13.840 1.837 1.458 505 HE3 LYS 66 2HE LYS 66 13.309 0.865 0.089 506 HZ1 LYS 66 3HZ LYS 66 14.950 -0.829 0.781 507 HZ2 LYS 66 1HZ LYS 66 13.733 -0.576 1.932 508 HZ3 LYS 66 2HZ LYS 66 15.278 0.082 2.164 509 H ASN 67 H ASN 67 11.042 3.283 -3.126 510 HA ASN 67 HA ASN 67 10.476 1.151 -5.037 511 HB2 ASN 67 1HB ASN 67 8.730 2.612 -3.053 512 HB3 ASN 67 2HB ASN 67 8.117 1.418 -4.192 513 HD21 ASN 67 1HD2 ASN 67 10.150 1.943 -1.402 514 HD22 ASN 67 2HD2 ASN 67 10.255 0.284 -0.917 515 H GLU 68 H GLU 68 11.158 4.227 -5.344 516 HA GLU 68 HA GLU 68 10.823 5.837 -6.894 517 HB2 GLU 68 1HB GLU 68 9.773 3.476 -8.451 518 HB3 GLU 68 2HB GLU 68 10.123 5.052 -9.150 519 HG2 GLU 68 1HG GLU 68 12.451 4.840 -8.601 520 HG3 GLU 68 2HG GLU 68 12.145 3.339 -7.727 521 H VAL 69 H VAL 69 8.935 5.902 -4.992 522 HA VAL 69 HA VAL 69 6.266 5.863 -5.981 523 HB VAL 69 HB VAL 69 7.482 7.148 -3.535 524 HG11 VAL 69 1HG1 VAL 69 5.471 8.380 -4.147 525 HG12 VAL 69 2HG1 VAL 69 5.198 7.418 -2.694 526 HG13 VAL 69 3HG1 VAL 69 4.564 6.872 -4.246 527 HG21 VAL 69 3HG2 VAL 69 7.551 4.722 -3.561 528 HG22 VAL 69 1HG2 VAL 69 5.823 4.661 -3.914 529 HG23 VAL 69 2HG2 VAL 69 6.385 5.292 -2.366 530 H SER 70 H SER 70 5.238 7.303 -7.166 531 HA SER 70 HA SER 70 6.154 10.078 -7.201 532 HB2 SER 70 1HB SER 70 5.757 9.890 -9.793 533 HB3 SER 70 2HB SER 70 7.293 9.371 -9.097 534 HG SER 70 HG SER 70 6.705 7.274 -9.313 535 H ALA 71 H ALA 71 3.838 8.751 -6.034 536 HA ALA 71 HA ALA 71 1.837 10.555 -7.029 537 HB1 ALA 71 1HB ALA 71 1.573 8.674 -8.593 538 HB2 ALA 71 2HB ALA 71 0.156 8.882 -7.563 539 HB3 ALA 71 3HB ALA 71 1.307 7.590 -7.227 540 H MET 72 H MET 72 0.074 10.787 -5.576 541 HA MET 72 HA MET 72 0.400 9.332 -3.032 542 HB2 MET 72 1HB MET 72 -0.953 11.983 -3.034 543 HB3 MET 72 2HB MET 72 0.002 11.220 -1.777 544 HG2 MET 72 1HG MET 72 1.305 13.009 -2.405 545 HG3 MET 72 2HG MET 72 2.005 11.682 -3.328 546 HE1 MET 72 3HE MET 72 -0.821 14.868 -5.143 547 HE2 MET 72 1HE MET 72 -0.389 14.787 -3.436 548 HE3 MET 72 2HE MET 72 -1.426 13.547 -4.143 549 HA PRO 73 HA PRO 73 -0.312 7.956 -2.068 550 HB2 PRO 73 1HB PRO 73 -1.845 5.636 -1.883 551 HB3 PRO 73 2HB PRO 73 -1.809 6.947 -0.706 552 HG2 PRO 73 1HG PRO 73 -3.980 6.176 -2.355 553 HG3 PRO 73 2HG PRO 73 -3.891 7.582 -1.286 554 HD2 PRO 73 1HD PRO 73 -3.507 7.405 -4.217 555 HD3 PRO 73 2HD PRO 73 -4.064 8.769 -3.226 556 H THR 74 H THR 74 0.779 5.798 -2.343 557 HA THR 74 HA THR 74 0.499 4.768 -5.078 558 HB THR 74 HB THR 74 3.039 4.873 -3.433 559 HG1 THR 74 1HG THR 74 2.210 6.854 -4.564 560 HG21 THR 74 3HG2 THR 74 2.544 3.809 -6.216 561 HG22 THR 74 1HG2 THR 74 2.954 2.855 -4.792 562 HG23 THR 74 2HG2 THR 74 4.127 3.990 -5.461 563 H LEU 75 H LEU 75 -0.356 2.805 -5.065 564 HA LEU 75 HA LEU 75 -0.286 1.253 -2.582 565 HB2 LEU 75 1HB LEU 75 -2.194 1.529 -4.839 566 HB3 LEU 75 2HB LEU 75 -2.081 -0.029 -4.053 567 HG LEU 75 HG LEU 75 -3.920 1.336 -3.159 568 HD11 LEU 75 1HD1 LEU 75 -2.900 -0.313 -1.718 569 HD12 LEU 75 2HD1 LEU 75 -3.366 1.106 -0.782 570 HD13 LEU 75 3HD1 LEU 75 -1.677 0.849 -1.212 571 HD21 LEU 75 3HD2 LEU 75 -1.718 3.225 -2.349 572 HD22 LEU 75 1HD2 LEU 75 -3.381 3.306 -1.763 573 HD23 LEU 75 2HD2 LEU 75 -3.036 3.547 -3.475 574 H LEU 76 H LEU 76 1.324 -0.183 -2.590 575 HA LEU 76 HA LEU 76 1.639 -1.805 -5.029 576 HB2 LEU 76 1HB LEU 76 3.870 -1.140 -3.101 577 HB3 LEU 76 2HB LEU 76 4.010 -1.933 -4.656 578 HG LEU 76 HG LEU 76 3.229 0.956 -4.265 579 HD11 LEU 76 1HD1 LEU 76 5.543 0.547 -3.602 580 HD12 LEU 76 2HD1 LEU 76 5.462 1.469 -5.104 581 HD13 LEU 76 3HD1 LEU 76 5.848 -0.251 -5.145 582 HD21 LEU 76 3HD2 LEU 76 3.913 -0.609 -6.746 583 HD22 LEU 76 1HD2 LEU 76 3.595 1.124 -6.674 584 HD23 LEU 76 2HD2 LEU 76 2.310 -0.023 -6.296 585 H LEU 77 H LEU 77 0.823 -3.750 -4.578 586 HA LEU 77 HA LEU 77 1.260 -4.789 -1.887 587 HB2 LEU 77 1HB LEU 77 -0.001 -6.724 -3.516 588 HB3 LEU 77 2HB LEU 77 -0.669 -5.828 -2.172 589 HG LEU 77 HG LEU 77 -0.690 -4.843 -5.031 590 HD11 LEU 77 1HD1 LEU 77 -3.090 -5.482 -4.917 591 HD12 LEU 77 2HD1 LEU 77 -2.772 -6.263 -3.365 592 HD13 LEU 77 3HD1 LEU 77 -1.997 -6.863 -4.837 593 HD21 LEU 77 3HD2 LEU 77 -2.190 -3.174 -4.313 594 HD22 LEU 77 1HD2 LEU 77 -0.879 -3.147 -3.135 595 HD23 LEU 77 2HD2 LEU 77 -2.413 -3.926 -2.737 596 H PHE 78 H PHE 78 2.848 -6.073 -1.427 597 HA PHE 78 HA PHE 78 4.475 -7.043 -3.654 598 HB2 PHE 78 1HB PHE 78 5.127 -6.118 -0.891 599 HB3 PHE 78 2HB PHE 78 6.232 -7.192 -1.730 600 HD1 PHE 78 2HD PHE 78 7.418 -6.432 -3.725 601 HD2 PHE 78 1HD PHE 78 4.850 -3.834 -1.547 602 HE1 PHE 78 2HE PHE 78 8.418 -4.497 -4.863 603 HE2 PHE 78 1HE PHE 78 5.848 -1.893 -2.680 604 HZ PHE 78 HZ PHE 78 7.633 -2.222 -4.342 605 H LYS 79 H LYS 79 5.432 -9.108 -3.574 606 HA LYS 79 HA LYS 79 4.496 -10.882 -1.440 607 HB2 LYS 79 1HB LYS 79 2.983 -11.205 -3.302 608 HB3 LYS 79 2HB LYS 79 4.332 -11.391 -4.413 609 HG2 LYS 79 1HG LYS 79 4.973 -13.446 -3.277 610 HG3 LYS 79 2HG LYS 79 3.664 -13.230 -2.117 611 HD2 LYS 79 1HD LYS 79 2.031 -13.427 -3.936 612 HD3 LYS 79 2HD LYS 79 3.352 -13.661 -5.087 613 HE2 LYS 79 1HE LYS 79 4.047 -15.672 -3.884 614 HE3 LYS 79 2HE LYS 79 2.746 -15.432 -2.722 615 HZ1 LYS 79 3HZ LYS 79 2.353 -15.898 -5.624 616 HZ2 LYS 79 1HZ LYS 79 1.140 -15.773 -4.454 617 HZ3 LYS 79 2HZ LYS 79 2.208 -17.082 -4.428 618 H ASN 80 H ASN 80 6.164 -11.864 -0.568 619 HA ASN 80 HA ASN 80 8.329 -12.422 -0.131 620 HB2 ASN 80 1HB ASN 80 9.070 -14.013 -2.294 621 HB3 ASN 80 2HB ASN 80 8.296 -14.543 -0.808 622 HD21 ASN 80 1HD2 ASN 80 7.839 -13.766 -4.166 623 HD22 ASN 80 2HD2 ASN 80 6.248 -14.435 -4.312 624 H GLY 81 H GLY 81 8.390 -9.914 -1.162 625 HA2 GLY 81 1HA GLY 81 9.898 -8.383 -1.965 626 HA3 GLY 81 2HA GLY 81 11.090 -9.670 -1.904 627 H LYS 82 H LYS 82 8.339 -10.288 -3.863 628 HA LYS 82 HA LYS 82 9.958 -9.713 -6.254 629 HB2 LYS 82 1HB LYS 82 9.812 -11.932 -6.574 630 HB3 LYS 82 2HB LYS 82 8.596 -12.110 -5.325 631 HG2 LYS 82 1HG LYS 82 6.847 -11.595 -6.890 632 HG3 LYS 82 2HG LYS 82 8.030 -11.255 -8.153 633 HD2 LYS 82 1HD LYS 82 8.777 -13.570 -8.100 634 HD3 LYS 82 2HD LYS 82 7.640 -13.920 -6.798 635 HE2 LYS 82 1HE LYS 82 6.810 -14.657 -8.990 636 HE3 LYS 82 2HE LYS 82 5.772 -13.439 -8.255 637 HZ1 LYS 82 3HZ LYS 82 6.657 -11.783 -9.695 638 HZ2 LYS 82 1HZ LYS 82 6.207 -13.098 -10.654 639 HZ3 LYS 82 2HZ LYS 82 7.837 -12.833 -10.297 640 H GLU 83 H GLU 83 7.388 -8.739 -4.525 641 HA GLU 83 HA GLU 83 5.660 -7.324 -4.882 642 HB2 GLU 83 1HB GLU 83 7.150 -6.317 -6.654 643 HB3 GLU 83 2HB GLU 83 6.382 -7.383 -7.817 644 HG2 GLU 83 1HG GLU 83 4.191 -6.290 -7.126 645 HG3 GLU 83 2HG GLU 83 5.188 -5.069 -6.334 646 H VAL 84 H VAL 84 3.448 -7.328 -5.936 647 HA VAL 84 HA VAL 84 2.877 -9.817 -7.346 648 HB VAL 84 HB VAL 84 2.204 -9.794 -4.831 649 HG11 VAL 84 1HG1 VAL 84 1.016 -7.720 -4.767 650 HG12 VAL 84 2HG1 VAL 84 -0.125 -9.038 -4.486 651 HG13 VAL 84 3HG1 VAL 84 -0.061 -8.246 -6.059 652 HG21 VAL 84 3HG2 VAL 84 0.284 -11.239 -5.332 653 HG22 VAL 84 1HG2 VAL 84 1.690 -11.594 -6.339 654 HG23 VAL 84 2HG2 VAL 84 0.336 -10.685 -7.008 655 H ALA 85 H ALA 85 2.066 -6.504 -6.593 656 HA ALA 85 HA ALA 85 1.124 -6.074 -9.281 657 HB1 ALA 85 1HB ALA 85 -0.775 -5.592 -6.998 658 HB2 ALA 85 2HB ALA 85 -0.932 -6.879 -8.197 659 HB3 ALA 85 3HB ALA 85 -1.050 -5.187 -8.692 660 H LYS 86 H LYS 86 0.638 -3.795 -9.670 661 HA LYS 86 HA LYS 86 1.630 -1.987 -7.631 662 HB2 LYS 86 1HB LYS 86 3.631 -2.368 -8.840 663 HB3 LYS 86 2HB LYS 86 2.797 -2.323 -10.385 664 HG2 LYS 86 1HG LYS 86 2.439 0.064 -10.153 665 HG3 LYS 86 2HG LYS 86 3.210 0.039 -8.568 666 HD2 LYS 86 1HD LYS 86 5.310 -0.620 -9.545 667 HD3 LYS 86 2HD LYS 86 4.559 -0.780 -11.133 668 HE2 LYS 86 1HE LYS 86 4.086 1.606 -11.166 669 HE3 LYS 86 2HE LYS 86 4.783 1.785 -9.557 670 HZ1 LYS 86 3HZ LYS 86 6.340 2.434 -11.280 671 HZ2 LYS 86 1HZ LYS 86 6.239 0.902 -11.989 672 HZ3 LYS 86 2HZ LYS 86 6.912 1.078 -10.451 673 H VAL 87 H VAL 87 0.270 -0.342 -7.408 674 HA VAL 87 HA VAL 87 -0.913 0.819 -9.840 675 HB VAL 87 HB VAL 87 -2.357 0.770 -7.181 676 HG11 VAL 87 1HG1 VAL 87 -3.240 1.498 -9.974 677 HG12 VAL 87 2HG1 VAL 87 -2.923 2.619 -8.647 678 HG13 VAL 87 3HG1 VAL 87 -4.273 1.485 -8.544 679 HG21 VAL 87 3HG2 VAL 87 -2.174 -1.529 -8.070 680 HG22 VAL 87 1HG2 VAL 87 -2.933 -0.989 -9.567 681 HG23 VAL 87 2HG2 VAL 87 -3.836 -0.936 -8.050 682 H VAL 88 H VAL 88 -0.668 2.981 -9.993 683 HA VAL 88 HA VAL 88 0.717 4.264 -7.728 684 HB VAL 88 HB VAL 88 1.294 5.109 -10.527 685 HG11 VAL 88 1HG1 VAL 88 2.924 4.920 -7.998 686 HG12 VAL 88 2HG1 VAL 88 2.255 6.383 -8.721 687 HG13 VAL 88 3HG1 VAL 88 3.537 5.496 -9.548 688 HG21 VAL 88 3HG2 VAL 88 2.677 2.754 -9.263 689 HG22 VAL 88 1HG2 VAL 88 2.933 3.414 -10.877 690 HG23 VAL 88 2HG2 VAL 88 1.409 2.604 -10.481 691 H GLY 89 H GLY 89 -1.375 5.106 -7.110 692 HA2 GLY 89 1HA GLY 89 -1.718 7.744 -7.568 693 HA3 GLY 89 2HA GLY 89 -2.658 7.008 -8.860 694 H ALA 90 H ALA 90 -4.314 8.305 -7.605 695 HA ALA 90 HA ALA 90 -5.292 7.267 -5.139 696 HB1 ALA 90 1HB ALA 90 -7.189 8.705 -5.492 697 HB2 ALA 90 2HB ALA 90 -6.797 8.871 -7.203 698 HB3 ALA 90 3HB ALA 90 -5.732 9.572 -5.986 699 H ASN 91 H ASN 91 -5.644 5.062 -5.260 700 HA ASN 91 HA ASN 91 -7.550 4.175 -7.319 701 HB2 ASN 91 1HB ASN 91 -6.393 2.019 -7.368 702 HB3 ASN 91 2HB ASN 91 -5.301 3.332 -7.785 703 HD21 ASN 91 1HD2 ASN 91 -4.867 0.604 -6.729 704 HD22 ASN 91 2HD2 ASN 91 -3.908 0.805 -5.310 705 HA PRO 92 HA PRO 92 -9.328 2.832 -3.210 706 HB2 PRO 92 1HB PRO 92 -11.779 4.130 -4.156 707 HB3 PRO 92 2HB PRO 92 -10.932 4.338 -2.623 708 HG2 PRO 92 1HG PRO 92 -11.011 6.258 -4.538 709 HG3 PRO 92 2HG PRO 92 -9.659 6.070 -3.408 710 HD2 PRO 92 1HD PRO 92 -9.868 5.242 -6.276 711 HD3 PRO 92 2HD PRO 92 -8.478 5.900 -5.388 712 H ALA 93 H ALA 93 -10.606 3.137 -6.496 713 HA ALA 93 HA ALA 93 -12.123 0.669 -6.248 714 HB1 ALA 93 1HB ALA 93 -12.922 1.142 -8.487 715 HB2 ALA 93 2HB ALA 93 -11.777 2.474 -8.638 716 HB3 ALA 93 3HB ALA 93 -13.090 2.570 -7.467 717 H ALA 94 H ALA 94 -9.257 1.901 -7.894 718 HA ALA 94 HA ALA 94 -8.816 -0.512 -9.384 719 HB1 ALA 94 1HB ALA 94 -6.617 0.557 -9.950 720 HB2 ALA 94 2HB ALA 94 -7.126 1.939 -8.979 721 HB3 ALA 94 3HB ALA 94 -8.051 1.475 -10.399 722 H ILE 95 H ILE 95 -7.959 0.550 -6.177 723 HA ILE 95 HA ILE 95 -5.836 -1.206 -5.706 724 HB ILE 95 HB ILE 95 -6.792 0.399 -3.979 725 HG12 ILE 95 1HG1 ILE 95 -6.050 -0.914 -2.115 726 HG13 ILE 95 2HG1 ILE 95 -6.463 -2.423 -2.927 727 HG21 ILE 95 1HG2 ILE 95 -8.704 -1.859 -3.439 728 HG22 ILE 95 2HG2 ILE 95 -9.139 -0.313 -4.180 729 HG23 ILE 95 3HG2 ILE 95 -8.548 -0.357 -2.518 730 HD11 ILE 95 3HD1 ILE 95 -4.299 -0.535 -3.831 731 HD12 ILE 95 1HD1 ILE 95 -4.644 -2.142 -4.465 732 HD13 ILE 95 2HD1 ILE 95 -4.038 -1.956 -2.821 733 H LYS 96 H LYS 96 -9.287 -1.670 -5.842 734 HA LYS 96 HA LYS 96 -9.431 -4.309 -5.003 735 HB2 LYS 96 1HB LYS 96 -11.143 -2.717 -6.891 736 HB3 LYS 96 2HB LYS 96 -11.499 -4.403 -6.538 737 HG2 LYS 96 1HG LYS 96 -11.294 -2.197 -4.509 738 HG3 LYS 96 2HG LYS 96 -12.793 -2.878 -5.140 739 HD2 LYS 96 1HD LYS 96 -10.672 -4.445 -3.656 740 HD3 LYS 96 2HD LYS 96 -12.148 -3.797 -2.925 741 HE2 LYS 96 1HE LYS 96 -12.038 -5.793 -5.188 742 HE3 LYS 96 2HE LYS 96 -12.386 -6.171 -3.504 743 HZ1 LYS 96 3HZ LYS 96 -14.031 -4.442 -5.275 744 HZ2 LYS 96 1HZ LYS 96 -14.355 -4.754 -3.646 745 HZ3 LYS 96 2HZ LYS 96 -14.416 -6.010 -4.775 746 H GLN 97 H GLN 97 -8.658 -2.952 -8.153 747 HA GLN 97 HA GLN 97 -8.591 -5.240 -9.722 748 HB2 GLN 97 1HB GLN 97 -8.265 -3.011 -10.651 749 HB3 GLN 97 2HB GLN 97 -6.781 -2.807 -9.744 750 HG2 GLN 97 1HG GLN 97 -6.950 -5.060 -11.683 751 HG3 GLN 97 2HG GLN 97 -6.779 -3.424 -12.308 752 HE21 GLN 97 1HE2 GLN 97 -5.214 -6.054 -10.718 753 HE22 GLN 97 2HE2 GLN 97 -3.628 -5.361 -10.656 754 H ALA 98 H ALA 98 -5.909 -3.788 -7.879 755 HA ALA 98 HA ALA 98 -4.215 -6.070 -8.294 756 HB1 ALA 98 1HB ALA 98 -2.651 -4.895 -6.747 757 HB2 ALA 98 2HB ALA 98 -3.916 -3.705 -6.424 758 HB3 ALA 98 3HB ALA 98 -3.235 -3.847 -8.042 759 H ILE 99 H ILE 99 -6.440 -5.095 -5.926 760 HA ILE 99 HA ILE 99 -5.288 -6.680 -3.839 761 HB ILE 99 HB ILE 99 -6.907 -4.426 -3.928 762 HG12 ILE 99 1HG1 ILE 99 -5.126 -4.852 -2.380 763 HG13 ILE 99 2HG1 ILE 99 -6.606 -4.559 -1.461 764 HG21 ILE 99 1HG2 ILE 99 -8.416 -6.480 -2.362 765 HG22 ILE 99 2HG2 ILE 99 -8.874 -6.004 -3.997 766 HG23 ILE 99 3HG2 ILE 99 -8.857 -4.800 -2.703 767 HD11 ILE 99 3HD1 ILE 99 -6.215 -6.490 -0.422 768 HD12 ILE 99 1HD1 ILE 99 -4.919 -6.897 -1.554 769 HD13 ILE 99 2HD1 ILE 99 -6.597 -7.291 -1.960 770 H ALA 100 H ALA 100 -8.061 -6.944 -5.947 771 HA ALA 100 HA ALA 100 -9.000 -9.242 -4.471 772 HB1 ALA 100 1HB ALA 100 -10.887 -9.273 -6.020 773 HB2 ALA 100 2HB ALA 100 -10.126 -8.012 -6.990 774 HB3 ALA 100 3HB ALA 100 -10.654 -7.660 -5.345 775 H ALA 101 H ALA 101 -7.446 -8.467 -7.527 776 HA ALA 101 HA ALA 101 -7.630 -11.099 -8.597 777 HB1 ALA 101 1HB ALA 101 -5.718 -8.890 -9.345 778 HB2 ALA 101 2HB ALA 101 -7.334 -9.115 -10.014 779 HB3 ALA 101 3HB ALA 101 -6.085 -10.328 -10.299 780 H ASN 102 H ASN 102 -5.147 -9.361 -6.714 781 HA ASN 102 HA ASN 102 -3.423 -11.714 -6.979 782 HB2 ASN 102 1HB ASN 102 -2.855 -9.060 -5.671 783 HB3 ASN 102 2HB ASN 102 -1.701 -10.383 -5.821 784 HD21 ASN 102 1HD2 ASN 102 -3.243 -7.781 -7.355 785 HD22 ASN 102 2HD2 ASN 102 -2.447 -7.898 -8.893 786 H ALA 103 H ALA 103 -4.348 -9.700 -4.174 787 HA ALA 103 HA ALA 103 -3.598 -11.427 -2.164 788 HB1 ALA 103 1HB ALA 103 -5.087 -10.261 -0.688 789 HB2 ALA 103 2HB ALA 103 -6.085 -9.729 -2.040 790 HB3 ALA 103 3HB ALA 103 -4.453 -9.095 -1.853 Start of MODEL 16 1 H1 MET 1 1H MET 1 -9.615 -2.311 10.340 2 H2 MET 1 2H MET 1 -8.261 -3.326 10.334 3 H3 MET 1 3H MET 1 -8.844 -2.684 8.883 4 HA MET 1 HA MET 1 -8.264 -0.479 9.540 5 HB2 MET 1 1HB MET 1 -7.170 -1.804 12.035 6 HB3 MET 1 2HB MET 1 -6.954 -0.116 11.605 7 HG2 MET 1 1HG MET 1 -8.663 -0.184 13.221 8 HG3 MET 1 2HG MET 1 -9.451 0.119 11.674 9 HE1 MET 1 3HE MET 1 -8.026 -3.275 13.095 10 HE2 MET 1 1HE MET 1 -9.465 -3.954 13.852 11 HE3 MET 1 2HE MET 1 -8.732 -2.491 14.506 12 H VAL 2 H VAL 2 -6.046 0.343 9.295 13 HA VAL 2 HA VAL 2 -4.213 -1.789 8.439 14 HB VAL 2 HB VAL 2 -4.340 -1.007 6.367 15 HG11 VAL 2 1HG1 VAL 2 -6.467 -0.023 6.687 16 HG12 VAL 2 2HG1 VAL 2 -5.494 1.135 5.777 17 HG13 VAL 2 3HG1 VAL 2 -5.772 1.376 7.501 18 HG21 VAL 2 3HG2 VAL 2 -2.905 0.680 5.739 19 HG22 VAL 2 1HG2 VAL 2 -2.292 0.234 7.329 20 HG23 VAL 2 2HG2 VAL 2 -3.292 1.674 7.148 21 H THR 3 H THR 3 -2.127 -1.630 8.954 22 HA THR 3 HA THR 3 -1.376 0.264 11.009 23 HB THR 3 HB THR 3 -0.498 -2.355 10.096 24 HG1 THR 3 1HG THR 3 -0.717 -0.873 12.420 25 HG21 THR 3 3HG2 THR 3 1.435 -1.044 9.247 26 HG22 THR 3 1HG2 THR 3 1.868 -2.154 10.560 27 HG23 THR 3 2HG2 THR 3 1.690 -0.430 10.890 28 H GLN 4 H GLN 4 0.216 1.759 10.889 29 HA GLN 4 HA GLN 4 1.263 2.408 8.233 30 HB2 GLN 4 1HB GLN 4 2.063 4.515 9.490 31 HB3 GLN 4 2HB GLN 4 0.342 4.350 9.180 32 HG2 GLN 4 1HG GLN 4 0.403 5.073 11.368 33 HG3 GLN 4 2HG GLN 4 0.227 3.325 11.535 34 HE21 GLN 4 1HE2 GLN 4 3.237 4.945 10.682 35 HE22 GLN 4 2HE2 GLN 4 4.065 4.569 12.148 36 H PHE 5 H PHE 5 3.441 2.245 7.786 37 HA PHE 5 HA PHE 5 5.025 0.908 9.837 38 HB2 PHE 5 1HB PHE 5 5.488 1.358 6.908 39 HB3 PHE 5 2HB PHE 5 6.772 0.801 7.966 40 HD1 PHE 5 2HD PHE 5 5.070 -0.993 9.730 41 HD2 PHE 5 1HD PHE 5 5.288 -0.500 5.510 42 HE1 PHE 5 2HE PHE 5 4.325 -3.314 9.425 43 HE2 PHE 5 1HE PHE 5 4.554 -2.821 5.195 44 HZ PHE 5 HZ PHE 5 4.066 -4.231 7.156 45 H LYS 6 H LYS 6 6.761 1.723 10.803 46 HA LYS 6 HA LYS 6 7.055 4.605 10.647 47 HB2 LYS 6 1HB LYS 6 8.365 4.348 12.721 48 HB3 LYS 6 2HB LYS 6 6.765 3.624 12.837 49 HG2 LYS 6 1HG LYS 6 7.833 1.420 12.309 50 HG3 LYS 6 2HG LYS 6 9.397 2.213 12.478 51 HD2 LYS 6 1HD LYS 6 8.879 1.141 14.557 52 HD3 LYS 6 2HD LYS 6 8.724 2.883 14.788 53 HE2 LYS 6 1HE LYS 6 6.307 2.717 14.567 54 HE3 LYS 6 2HE LYS 6 6.437 0.989 14.255 55 HZ1 LYS 6 3HZ LYS 6 5.821 1.416 16.537 56 HZ2 LYS 6 1HZ LYS 6 7.205 2.357 16.770 57 HZ3 LYS 6 2HZ LYS 6 7.349 0.701 16.472 58 H THR 7 H THR 7 8.783 1.744 9.725 59 HA THR 7 HA THR 7 10.971 3.430 8.763 60 HB THR 7 HB THR 7 12.545 1.535 9.196 61 HG1 THR 7 1HG THR 7 11.396 0.394 11.244 62 HG21 THR 7 3HG2 THR 7 12.577 3.506 10.604 63 HG22 THR 7 1HG2 THR 7 12.839 2.064 11.585 64 HG23 THR 7 2HG2 THR 7 11.264 2.856 11.585 65 H ALA 8 H ALA 8 12.019 2.787 6.884 66 HA ALA 8 HA ALA 8 10.576 1.428 4.899 67 HB1 ALA 8 1HB ALA 8 12.656 1.416 3.641 68 HB2 ALA 8 2HB ALA 8 13.578 1.757 5.104 69 HB3 ALA 8 3HB ALA 8 12.468 2.966 4.463 70 H SER 9 H SER 9 12.896 0.374 7.309 71 HA SER 9 HA SER 9 13.299 -2.258 6.437 72 HB2 SER 9 1HB SER 9 14.637 -1.035 8.191 73 HB3 SER 9 2HB SER 9 13.304 -1.305 9.310 74 HG SER 9 HG SER 9 15.175 -3.089 8.288 75 H GLU 10 H GLU 10 10.730 -0.785 8.407 76 HA GLU 10 HA GLU 10 9.477 -3.204 9.190 77 HB2 GLU 10 1HB GLU 10 8.467 -0.404 8.777 78 HB3 GLU 10 2HB GLU 10 7.355 -1.709 9.166 79 HG2 GLU 10 1HG GLU 10 9.722 -0.900 10.837 80 HG3 GLU 10 2HG GLU 10 8.054 -0.409 11.129 81 H PHE 11 H PHE 11 8.953 -1.081 6.428 82 HA PHE 11 HA PHE 11 6.972 -2.614 5.157 83 HB2 PHE 11 1HB PHE 11 7.036 -0.474 4.367 84 HB3 PHE 11 2HB PHE 11 8.789 -0.375 4.420 85 HD1 PHE 11 1HD PHE 11 5.884 -1.345 2.428 86 HD2 PHE 11 2HD PHE 11 10.124 -1.082 2.551 87 HE1 PHE 11 1HE PHE 11 5.961 -1.654 -0.009 88 HE2 PHE 11 2HE PHE 11 10.212 -1.402 0.110 89 HZ PHE 11 HZ PHE 11 8.130 -1.683 -1.173 90 H ASP 12 H ASP 12 10.482 -2.500 4.704 91 HA ASP 12 HA ASP 12 10.731 -4.277 2.581 92 HB2 ASP 12 1HB ASP 12 12.606 -2.948 3.327 93 HB3 ASP 12 2HB ASP 12 12.605 -3.747 4.895 94 H SER 13 H SER 13 10.648 -4.940 6.047 95 HA SER 13 HA SER 13 11.114 -7.728 5.779 96 HB2 SER 13 1HB SER 13 9.878 -6.179 8.064 97 HB3 SER 13 2HB SER 13 10.486 -7.831 8.154 98 HG SER 13 HG SER 13 11.935 -5.434 7.736 99 H ALA 14 H ALA 14 8.187 -5.763 6.088 100 HA ALA 14 HA ALA 14 6.352 -7.877 6.303 101 HB1 ALA 14 1HB ALA 14 4.677 -6.256 5.462 102 HB2 ALA 14 2HB ALA 14 5.991 -5.126 5.125 103 HB3 ALA 14 3HB ALA 14 5.659 -5.624 6.787 104 H ILE 15 H ILE 15 7.480 -6.081 3.448 105 HA ILE 15 HA ILE 15 5.853 -7.534 1.639 106 HB ILE 15 HB ILE 15 7.168 -6.506 -0.135 107 HG12 ILE 15 1HG1 ILE 15 8.877 -5.214 1.977 108 HG13 ILE 15 2HG1 ILE 15 9.345 -6.731 1.220 109 HG21 ILE 15 1HG2 ILE 15 6.726 -4.161 0.429 110 HG22 ILE 15 2HG2 ILE 15 6.537 -4.609 2.124 111 HG23 ILE 15 3HG2 ILE 15 5.397 -5.212 0.921 112 HD11 ILE 15 3HD1 ILE 15 10.439 -4.877 0.144 113 HD12 ILE 15 1HD1 ILE 15 8.885 -4.107 -0.173 114 HD13 ILE 15 2HD1 ILE 15 9.295 -5.627 -0.968 115 H ALA 16 H ALA 16 8.877 -8.213 3.141 116 HA ALA 16 HA ALA 16 9.897 -9.974 1.142 117 HB1 ALA 16 1HB ALA 16 10.581 -9.898 4.070 118 HB2 ALA 16 2HB ALA 16 11.309 -8.861 2.842 119 HB3 ALA 16 3HB ALA 16 11.544 -10.609 2.776 120 H GLN 17 H GLN 17 7.421 -10.264 3.396 121 HA GLN 17 HA GLN 17 7.643 -13.025 4.015 122 HB2 GLN 17 1HB GLN 17 5.225 -11.210 4.008 123 HB3 GLN 17 2HB GLN 17 5.239 -12.843 4.657 124 HG2 GLN 17 1HG GLN 17 6.861 -12.199 6.323 125 HG3 GLN 17 2HG GLN 17 6.944 -10.572 5.645 126 HE21 GLN 17 1HE2 GLN 17 5.127 -9.220 5.827 127 HE22 GLN 17 2HE2 GLN 17 3.952 -9.465 7.073 128 H ASP 18 H ASP 18 6.406 -14.756 3.180 129 HA ASP 18 HA ASP 18 6.141 -14.647 0.305 130 HB2 ASP 18 1HB ASP 18 5.696 -16.865 2.297 131 HB3 ASP 18 2HB ASP 18 5.556 -17.072 0.558 132 H LYS 19 H LYS 19 4.320 -13.024 1.740 133 HA LYS 19 HA LYS 19 1.743 -14.187 0.958 134 HB2 LYS 19 1HB LYS 19 0.722 -13.703 2.951 135 HB3 LYS 19 2HB LYS 19 2.265 -14.346 3.457 136 HG2 LYS 19 1HG LYS 19 3.073 -12.264 4.106 137 HG3 LYS 19 2HG LYS 19 1.843 -11.396 3.180 138 HD2 LYS 19 1HD LYS 19 1.331 -13.110 5.608 139 HD3 LYS 19 2HD LYS 19 1.372 -11.346 5.586 140 HE2 LYS 19 1HE LYS 19 -0.524 -11.262 4.114 141 HE3 LYS 19 2HE LYS 19 -0.513 -13.014 3.919 142 HZ1 LYS 19 3HZ LYS 19 -2.215 -12.411 5.461 143 HZ2 LYS 19 1HZ LYS 19 -1.142 -11.482 6.389 144 HZ3 LYS 19 2HZ LYS 19 -0.982 -13.171 6.338 145 H LEU 20 H LEU 20 0.030 -12.406 1.108 146 HA LEU 20 HA LEU 20 0.857 -10.301 -0.642 147 HB2 LEU 20 1HB LEU 20 -1.420 -11.592 -0.458 148 HB3 LEU 20 2HB LEU 20 -1.791 -10.395 0.757 149 HG LEU 20 HG LEU 20 -2.768 -9.750 -1.340 150 HD11 LEU 20 1HD1 LEU 20 -1.943 -7.965 0.104 151 HD12 LEU 20 2HD1 LEU 20 -1.893 -7.524 -1.601 152 HD13 LEU 20 3HD1 LEU 20 -0.410 -7.984 -0.763 153 HD21 LEU 20 3HD2 LEU 20 -1.213 -10.978 -2.808 154 HD22 LEU 20 1HD2 LEU 20 0.000 -9.734 -2.511 155 HD23 LEU 20 2HD2 LEU 20 -1.506 -9.320 -3.337 156 H VAL 21 H VAL 21 1.984 -8.616 0.161 157 HA VAL 21 HA VAL 21 0.737 -7.218 2.443 158 HB VAL 21 HB VAL 21 3.687 -7.296 1.750 159 HG11 VAL 21 1HG1 VAL 21 2.296 -5.634 3.852 160 HG12 VAL 21 2HG1 VAL 21 2.954 -5.010 2.338 161 HG13 VAL 21 3HG1 VAL 21 4.034 -5.706 3.552 162 HG21 VAL 21 3HG2 VAL 21 3.917 -8.184 4.021 163 HG22 VAL 21 1HG2 VAL 21 2.875 -9.212 3.036 164 HG23 VAL 21 2HG2 VAL 21 2.167 -8.121 4.228 165 H VAL 22 H VAL 22 -0.431 -5.627 1.562 166 HA VAL 22 HA VAL 22 0.843 -4.041 -0.527 167 HB VAL 22 HB VAL 22 -1.142 -4.508 -1.478 168 HG11 VAL 22 1HG1 VAL 22 -2.513 -4.397 1.194 169 HG12 VAL 22 2HG1 VAL 22 -2.005 -5.854 0.341 170 HG13 VAL 22 3HG1 VAL 22 -3.261 -4.826 -0.347 171 HG21 VAL 22 3HG2 VAL 22 -1.815 -2.094 0.186 172 HG22 VAL 22 1HG2 VAL 22 -2.714 -2.624 -1.236 173 HG23 VAL 22 2HG2 VAL 22 -1.035 -2.109 -1.396 174 H VAL 23 H VAL 23 1.970 -2.485 0.185 175 HA VAL 23 HA VAL 23 1.039 -0.841 2.440 176 HB VAL 23 HB VAL 23 3.752 -0.877 1.110 177 HG11 VAL 23 1HG1 VAL 23 3.182 1.204 2.256 178 HG12 VAL 23 2HG1 VAL 23 4.481 0.341 3.078 179 HG13 VAL 23 3HG1 VAL 23 2.844 0.298 3.731 180 HG21 VAL 23 3HG2 VAL 23 2.679 -2.378 3.473 181 HG22 VAL 23 1HG2 VAL 23 4.396 -2.017 3.314 182 HG23 VAL 23 2HG2 VAL 23 3.582 -2.991 2.091 183 H ALA 24 H ALA 24 0.791 1.432 2.172 184 HA ALA 24 HA ALA 24 1.045 2.438 -0.581 185 HB1 ALA 24 1HB ALA 24 -1.309 1.806 0.063 186 HB2 ALA 24 2HB ALA 24 -1.054 3.424 -0.580 187 HB3 ALA 24 3HB ALA 24 -1.256 3.188 1.152 188 H PHE 25 H PHE 25 2.185 4.071 -0.822 189 HA PHE 25 HA PHE 25 3.168 5.668 1.323 190 HB2 PHE 25 1HB PHE 25 3.301 6.060 -1.669 191 HB3 PHE 25 2HB PHE 25 4.288 6.918 -0.487 192 HD1 PHE 25 2HD PHE 25 3.630 3.647 -2.051 193 HD2 PHE 25 1HD PHE 25 6.239 5.909 0.436 194 HE1 PHE 25 2HE PHE 25 5.326 1.876 -2.232 195 HE2 PHE 25 1HE PHE 25 7.945 4.143 0.249 196 HZ PHE 25 HZ PHE 25 7.489 2.124 -1.081 197 H TYR 26 H TYR 26 2.051 7.240 2.283 198 HA TYR 26 HA TYR 26 0.086 8.802 0.719 199 HB2 TYR 26 1HB TYR 26 -0.035 7.861 3.589 200 HB3 TYR 26 2HB TYR 26 -1.057 9.149 2.974 201 HD1 TYR 26 1HD TYR 26 -0.491 6.697 0.486 202 HD2 TYR 26 2HD TYR 26 -2.805 7.521 3.947 203 HE1 TYR 26 1HE TYR 26 -2.136 5.026 -0.223 204 HE2 TYR 26 2HE TYR 26 -4.455 5.842 3.252 205 HH TYR 26 HH TYR 26 -5.185 4.709 1.231 206 H ALA 27 H ALA 27 -0.474 10.842 2.164 207 HA ALA 27 HA ALA 27 1.788 11.893 3.622 208 HB1 ALA 27 1HB ALA 27 1.962 13.925 2.255 209 HB2 ALA 27 2HB ALA 27 0.790 13.262 1.117 210 HB3 ALA 27 3HB ALA 27 2.361 12.486 1.317 211 H THR 28 H THR 28 1.218 14.050 4.556 212 HA THR 28 HA THR 28 -1.484 13.992 5.546 213 HB THR 28 HB THR 28 0.421 16.139 6.235 214 HG1 THR 28 1HG THR 28 0.586 13.616 7.500 215 HG21 THR 28 3HG2 THR 28 -1.793 16.121 7.265 216 HG22 THR 28 1HG2 THR 28 -0.544 15.807 8.471 217 HG23 THR 28 2HG2 THR 28 -1.514 14.477 7.842 218 H TRP 29 H TRP 29 -0.133 15.246 2.846 219 HA TRP 29 HA TRP 29 -1.896 17.589 2.811 220 HB2 TRP 29 1HB TRP 29 -0.077 18.661 1.379 221 HB3 TRP 29 2HB TRP 29 0.238 18.519 3.106 222 HD1 TRP 29 HD TRP 29 1.069 16.647 -0.156 223 HE1 TRP 29 1HE TRP 29 3.407 15.569 0.094 224 HE3 TRP 29 3HE TRP 29 1.998 17.905 4.697 225 HZ2 TRP 29 2HZ TRP 29 5.366 15.292 2.113 226 HZ3 TRP 29 3HZ TRP 29 4.119 17.197 5.720 227 HH2 TRP 29 HH TRP 29 5.767 15.919 4.453 228 H CYS 30 H CYS 30 -2.844 15.255 1.792 229 HA CYS 30 HA CYS 30 -2.953 15.897 -1.050 230 HB2 CYS 30 1HB CYS 30 -2.892 13.318 -1.459 231 HB3 CYS 30 2HB CYS 30 -1.386 14.221 -1.296 232 H GLY 31 H GLY 31 -4.911 15.956 -1.754 233 HA2 GLY 31 1HA GLY 31 -7.190 15.435 -0.223 234 HA3 GLY 31 2HA GLY 31 -7.166 15.718 -1.952 235 HA PRO 32 HA PRO 32 -7.802 11.406 -2.866 236 HB2 PRO 32 1HB PRO 32 -5.478 10.047 -3.396 237 HB3 PRO 32 2HB PRO 32 -6.316 11.067 -4.568 238 HG2 PRO 32 1HG PRO 32 -3.937 11.680 -2.876 239 HG3 PRO 32 2HG PRO 32 -4.271 12.130 -4.559 240 HD2 PRO 32 1HD PRO 32 -4.563 13.867 -2.505 241 HD3 PRO 32 2HD PRO 32 -5.592 13.918 -3.943 242 H CYS 33 H CYS 33 -4.951 11.704 -0.807 243 HA CYS 33 HA CYS 33 -5.118 9.252 0.531 244 HB2 CYS 33 1HB CYS 33 -4.165 11.855 1.731 245 HB3 CYS 33 2HB CYS 33 -3.645 10.225 2.150 246 H LYS 34 H LYS 34 -6.863 12.241 0.974 247 HA LYS 34 HA LYS 34 -7.979 11.600 3.497 248 HB2 LYS 34 1HB LYS 34 -7.897 13.884 2.530 249 HB3 LYS 34 2HB LYS 34 -9.088 13.397 1.335 250 HG2 LYS 34 1HG LYS 34 -10.741 13.057 3.050 251 HG3 LYS 34 2HG LYS 34 -9.547 13.387 4.309 252 HD2 LYS 34 1HD LYS 34 -9.252 15.662 3.357 253 HD3 LYS 34 2HD LYS 34 -10.558 15.315 2.223 254 HE2 LYS 34 1HE LYS 34 -12.122 15.047 4.037 255 HE3 LYS 34 2HE LYS 34 -10.830 15.223 5.224 256 HZ1 LYS 34 3HZ LYS 34 -11.730 17.317 3.320 257 HZ2 LYS 34 1HZ LYS 34 -10.483 17.488 4.451 258 HZ3 LYS 34 2HZ LYS 34 -12.075 17.273 4.974 259 H MET 35 H MET 35 -9.363 11.436 0.208 260 HA MET 35 HA MET 35 -11.793 10.282 1.055 261 HB2 MET 35 1HB MET 35 -12.189 9.813 -1.330 262 HB3 MET 35 2HB MET 35 -11.700 11.472 -1.023 263 HG2 MET 35 1HG MET 35 -9.379 10.793 -1.655 264 HG3 MET 35 2HG MET 35 -10.052 9.246 -2.157 265 HE1 MET 35 3HE MET 35 -9.873 13.074 -2.788 266 HE2 MET 35 1HE MET 35 -11.602 12.877 -2.503 267 HE3 MET 35 2HE MET 35 -11.017 13.309 -4.108 268 H ILE 36 H ILE 36 -8.872 8.724 -0.305 269 HA ILE 36 HA ILE 36 -10.192 6.191 -0.130 270 HB ILE 36 HB ILE 36 -8.570 5.283 -1.320 271 HG12 ILE 36 1HG1 ILE 36 -7.216 5.195 0.818 272 HG13 ILE 36 2HG1 ILE 36 -6.322 5.086 -0.676 273 HG21 ILE 36 1HG2 ILE 36 -7.111 6.737 -2.596 274 HG22 ILE 36 2HG2 ILE 36 -7.426 8.058 -1.470 275 HG23 ILE 36 3HG2 ILE 36 -8.733 7.418 -2.465 276 HD11 ILE 36 3HD1 ILE 36 -6.619 7.553 1.014 277 HD12 ILE 36 1HD1 ILE 36 -5.639 7.406 -0.449 278 HD13 ILE 36 2HD1 ILE 36 -5.221 6.474 0.996 279 H ALA 37 H ALA 37 -8.631 8.185 2.156 280 HA ALA 37 HA ALA 37 -7.475 6.279 3.824 281 HB1 ALA 37 1HB ALA 37 -7.641 7.873 5.609 282 HB2 ALA 37 2HB ALA 37 -8.885 8.775 4.742 283 HB3 ALA 37 3HB ALA 37 -7.236 8.712 4.104 284 HA PRO 38 HA PRO 38 -11.818 5.401 5.795 285 HB2 PRO 38 1HB PRO 38 -13.948 6.152 4.220 286 HB3 PRO 38 2HB PRO 38 -13.402 7.029 5.652 287 HG2 PRO 38 1HG PRO 38 -12.854 7.569 2.770 288 HG3 PRO 38 2HG PRO 38 -13.185 8.712 4.084 289 HD2 PRO 38 1HD PRO 38 -10.697 8.292 3.159 290 HD3 PRO 38 2HD PRO 38 -11.016 8.628 4.872 291 H MET 39 H MET 39 -11.422 5.564 2.236 292 HA MET 39 HA MET 39 -12.854 3.152 1.742 293 HB2 MET 39 1HB MET 39 -10.685 4.441 0.089 294 HB3 MET 39 2HB MET 39 -11.707 3.122 -0.451 295 HG2 MET 39 1HG MET 39 -12.626 5.887 0.301 296 HG3 MET 39 2HG MET 39 -12.503 5.228 -1.330 297 HE1 MET 39 3HE MET 39 -14.983 5.813 -1.940 298 HE2 MET 39 1HE MET 39 -15.141 6.596 -0.367 299 HE3 MET 39 2HE MET 39 -16.361 5.442 -0.905 300 H ILE 40 H ILE 40 -9.294 3.660 1.790 301 HA ILE 40 HA ILE 40 -8.463 1.045 1.675 302 HB ILE 40 HB ILE 40 -7.237 3.539 2.448 303 HG12 ILE 40 1HG1 ILE 40 -5.161 2.226 1.885 304 HG13 ILE 40 2HG1 ILE 40 -6.203 0.831 1.648 305 HG21 ILE 40 1HG2 ILE 40 -5.617 2.742 4.088 306 HG22 ILE 40 2HG2 ILE 40 -6.541 1.247 4.248 307 HG23 ILE 40 3HG2 ILE 40 -7.260 2.783 4.730 308 HD11 ILE 40 3HD1 ILE 40 -6.137 3.380 0.097 309 HD12 ILE 40 1HD1 ILE 40 -7.447 2.206 -0.054 310 HD13 ILE 40 2HD1 ILE 40 -5.794 1.750 -0.470 311 H GLU 41 H GLU 41 -9.685 2.794 4.495 312 HA GLU 41 HA GLU 41 -9.230 0.868 6.458 313 HB2 GLU 41 1HB GLU 41 -10.083 3.181 6.839 314 HB3 GLU 41 2HB GLU 41 -11.644 2.665 6.214 315 HG2 GLU 41 1HG GLU 41 -11.834 1.045 8.036 316 HG3 GLU 41 2HG GLU 41 -10.278 1.583 8.668 317 H LYS 42 H LYS 42 -12.047 1.260 4.311 318 HA LYS 42 HA LYS 42 -13.516 -0.939 5.242 319 HB2 LYS 42 1HB LYS 42 -14.644 0.612 3.851 320 HB3 LYS 42 2HB LYS 42 -13.415 0.495 2.599 321 HG2 LYS 42 1HG LYS 42 -14.253 -2.044 2.608 322 HG3 LYS 42 2HG LYS 42 -15.732 -1.247 3.153 323 HD2 LYS 42 1HD LYS 42 -15.731 0.182 1.218 324 HD3 LYS 42 2HD LYS 42 -14.168 -0.457 0.702 325 HE2 LYS 42 1HE LYS 42 -15.886 -1.494 -0.606 326 HE3 LYS 42 2HE LYS 42 -15.211 -2.694 0.492 327 HZ1 LYS 42 3HZ LYS 42 -17.769 -1.232 0.846 328 HZ2 LYS 42 1HZ LYS 42 -17.110 -2.311 1.967 329 HZ3 LYS 42 2HZ LYS 42 -17.591 -2.865 0.447 330 H PHE 43 H PHE 43 -11.306 -0.696 2.521 331 HA PHE 43 HA PHE 43 -11.528 -3.350 1.720 332 HB2 PHE 43 1HB PHE 43 -9.497 -1.206 1.192 333 HB3 PHE 43 2HB PHE 43 -9.317 -2.821 0.519 334 HD1 PHE 43 1HD PHE 43 -10.949 -3.679 -1.121 335 HD2 PHE 43 2HD PHE 43 -11.166 0.291 0.403 336 HE1 PHE 43 1HE PHE 43 -12.490 -3.063 -2.939 337 HE2 PHE 43 2HE PHE 43 -12.704 0.910 -1.416 338 HZ PHE 43 HZ PHE 43 -13.369 -0.771 -3.089 339 H SER 44 H SER 44 -9.893 -1.950 4.346 340 HA SER 44 HA SER 44 -7.836 -3.992 4.537 341 HB2 SER 44 1HB SER 44 -6.932 -2.727 6.302 342 HB3 SER 44 2HB SER 44 -7.678 -1.478 5.298 343 HG SER 44 HG SER 44 -9.469 -1.502 6.693 344 H GLU 45 H GLU 45 -10.992 -3.315 5.512 345 HA GLU 45 HA GLU 45 -11.070 -5.216 7.700 346 HB2 GLU 45 1HB GLU 45 -12.453 -3.176 7.765 347 HB3 GLU 45 2HB GLU 45 -13.268 -3.675 6.293 348 HG2 GLU 45 1HG GLU 45 -14.157 -5.634 7.474 349 HG3 GLU 45 2HG GLU 45 -13.375 -5.078 8.952 350 H GLN 46 H GLN 46 -11.440 -5.114 4.304 351 HA GLN 46 HA GLN 46 -12.794 -7.675 4.347 352 HB2 GLN 46 1HB GLN 46 -13.464 -7.238 2.028 353 HB3 GLN 46 2HB GLN 46 -14.102 -6.109 3.205 354 HG2 GLN 46 1HG GLN 46 -13.462 -4.571 1.799 355 HG3 GLN 46 2HG GLN 46 -11.847 -4.835 2.437 356 HE21 GLN 46 1HE2 GLN 46 -10.387 -5.975 1.203 357 HE22 GLN 46 2HE2 GLN 46 -10.626 -6.314 -0.475 358 H TYR 47 H TYR 47 -9.751 -6.923 4.374 359 HA TYR 47 HA TYR 47 -9.038 -9.030 2.420 360 HB2 TYR 47 1HB TYR 47 -7.092 -7.542 4.195 361 HB3 TYR 47 2HB TYR 47 -6.701 -8.641 2.875 362 HD1 TYR 47 1HD TYR 47 -8.916 -7.399 1.034 363 HD2 TYR 47 2HD TYR 47 -5.698 -5.804 3.319 364 HE1 TYR 47 1HE TYR 47 -8.756 -5.508 -0.525 365 HE2 TYR 47 2HE TYR 47 -5.549 -3.907 1.765 366 HH TYR 47 HH TYR 47 -7.942 -3.239 -0.578 367 HA PRO 48 HA PRO 48 -9.225 -11.744 6.069 368 HB2 PRO 48 1HB PRO 48 -9.429 -14.045 4.639 369 HB3 PRO 48 2HB PRO 48 -10.817 -13.026 5.035 370 HG2 PRO 48 1HG PRO 48 -9.253 -13.192 2.491 371 HG3 PRO 48 2HG PRO 48 -11.007 -13.066 2.720 372 HD2 PRO 48 1HD PRO 48 -9.458 -10.943 2.060 373 HD3 PRO 48 2HD PRO 48 -10.928 -10.789 3.041 374 H GLN 49 H GLN 49 -7.289 -12.223 3.096 375 HA GLN 49 HA GLN 49 -5.314 -13.661 4.722 376 HB2 GLN 49 1HB GLN 49 -4.501 -14.668 2.672 377 HB3 GLN 49 2HB GLN 49 -6.218 -14.971 2.883 378 HG2 GLN 49 1HG GLN 49 -6.773 -13.301 1.261 379 HG3 GLN 49 2HG GLN 49 -5.087 -12.802 1.134 380 HE21 GLN 49 1HE2 GLN 49 -3.637 -14.102 0.026 381 HE22 GLN 49 2HE2 GLN 49 -4.162 -15.346 -1.053 382 H ALA 50 H ALA 50 -5.760 -10.718 3.131 383 HA ALA 50 HA ALA 50 -2.899 -10.401 2.605 384 HB1 ALA 50 1HB ALA 50 -3.556 -8.470 1.233 385 HB2 ALA 50 2HB ALA 50 -5.247 -8.790 1.613 386 HB3 ALA 50 3HB ALA 50 -4.312 -9.967 0.694 387 H ASP 51 H ASP 51 -1.783 -8.693 3.413 388 HA ASP 51 HA ASP 51 -2.992 -7.346 5.717 389 HB2 ASP 51 1HB ASP 51 -0.171 -8.027 4.971 390 HB3 ASP 51 2HB ASP 51 -0.471 -6.696 6.080 391 H PHE 52 H PHE 52 -3.198 -5.203 5.854 392 HA PHE 52 HA PHE 52 -2.487 -3.646 3.468 393 HB2 PHE 52 1HB PHE 52 -4.956 -4.106 4.529 394 HB3 PHE 52 2HB PHE 52 -4.531 -2.592 5.310 395 HD1 PHE 52 2HD PHE 52 -2.962 -2.641 2.132 396 HD2 PHE 52 1HD PHE 52 -6.710 -2.142 4.041 397 HE1 PHE 52 2HE PHE 52 -3.809 -1.452 0.159 398 HE2 PHE 52 1HE PHE 52 -7.568 -0.950 2.106 399 HZ PHE 52 HZ PHE 52 -6.118 -0.605 0.134 400 H TYR 53 H TYR 53 -0.985 -2.065 3.776 401 HA TYR 53 HA TYR 53 -0.899 -0.770 6.417 402 HB2 TYR 53 1HB TYR 53 1.582 -1.537 4.870 403 HB3 TYR 53 2HB TYR 53 1.506 -0.821 6.487 404 HD1 TYR 53 1HD TYR 53 0.099 -2.233 8.221 405 HD2 TYR 53 2HD TYR 53 1.942 -3.828 4.745 406 HE1 TYR 53 1HE TYR 53 0.119 -4.456 9.265 407 HE2 TYR 53 2HE TYR 53 1.963 -6.060 5.778 408 HH TYR 53 HH TYR 53 0.160 -6.896 8.398 409 H LYS 54 H LYS 54 -0.271 1.417 6.414 410 HA LYS 54 HA LYS 54 0.005 2.631 3.722 411 HB2 LYS 54 1HB LYS 54 -1.137 4.002 6.171 412 HB3 LYS 54 2HB LYS 54 -1.024 4.678 4.561 413 HG2 LYS 54 1HG LYS 54 -2.834 2.443 5.448 414 HG3 LYS 54 2HG LYS 54 -3.305 4.088 5.072 415 HD2 LYS 54 1HD LYS 54 -3.746 3.388 2.981 416 HD3 LYS 54 2HD LYS 54 -1.987 3.189 2.796 417 HE2 LYS 54 1HE LYS 54 -2.244 0.887 3.768 418 HE3 LYS 54 2HE LYS 54 -3.990 1.116 3.652 419 HZ1 LYS 54 3HZ LYS 54 -3.283 -0.029 1.723 420 HZ2 LYS 54 1HZ LYS 54 -2.029 1.068 1.435 421 HZ3 LYS 54 2HZ LYS 54 -3.636 1.553 1.241 422 H LEU 55 H LEU 55 1.745 4.089 3.419 423 HA LEU 55 HA LEU 55 3.444 4.532 5.818 424 HB2 LEU 55 1HB LEU 55 4.230 5.025 2.944 425 HB3 LEU 55 2HB LEU 55 5.269 5.071 4.342 426 HG LEU 55 HG LEU 55 3.945 2.605 3.242 427 HD11 LEU 55 1HD1 LEU 55 5.731 3.411 1.809 428 HD12 LEU 55 2HD1 LEU 55 6.224 1.941 2.650 429 HD13 LEU 55 3HD1 LEU 55 6.817 3.509 3.196 430 HD21 LEU 55 3HD2 LEU 55 4.191 2.491 5.647 431 HD22 LEU 55 1HD2 LEU 55 5.885 2.960 5.511 432 HD23 LEU 55 2HD2 LEU 55 5.342 1.416 4.851 433 H ASP 56 H ASP 56 3.874 6.572 6.556 434 HA ASP 56 HA ASP 56 2.702 8.853 5.178 435 HB2 ASP 56 1HB ASP 56 4.303 8.592 7.733 436 HB3 ASP 56 2HB ASP 56 3.802 10.138 7.060 437 H VAL 57 H VAL 57 3.783 9.398 3.392 438 HA VAL 57 HA VAL 57 6.393 8.617 2.812 439 HB VAL 57 HB VAL 57 4.304 9.536 1.387 440 HG11 VAL 57 1HG1 VAL 57 4.632 11.871 1.960 441 HG12 VAL 57 2HG1 VAL 57 4.915 11.607 0.237 442 HG13 VAL 57 3HG1 VAL 57 6.279 11.809 1.335 443 HG21 VAL 57 3HG2 VAL 57 5.802 9.477 -0.563 444 HG22 VAL 57 1HG2 VAL 57 6.018 8.120 0.542 445 HG23 VAL 57 2HG2 VAL 57 7.182 9.446 0.537 446 H ASP 58 H ASP 58 5.353 11.248 4.735 447 HA ASP 58 HA ASP 58 7.536 13.017 4.122 448 HB2 ASP 58 1HB ASP 58 6.676 14.461 5.746 449 HB3 ASP 58 2HB ASP 58 5.241 13.639 5.147 450 H GLU 59 H GLU 59 7.002 10.318 6.168 451 HA GLU 59 HA GLU 59 9.643 10.701 7.414 452 HB2 GLU 59 1HB GLU 59 7.395 8.827 8.187 453 HB3 GLU 59 2HB GLU 59 8.942 8.950 9.014 454 HG2 GLU 59 1HG GLU 59 8.404 11.342 9.472 455 HG3 GLU 59 2HG GLU 59 6.790 11.036 8.835 456 H LEU 60 H LEU 60 7.686 8.659 5.390 457 HA LEU 60 HA LEU 60 9.850 6.725 5.130 458 HB2 LEU 60 1HB LEU 60 6.947 6.654 4.301 459 HB3 LEU 60 2HB LEU 60 8.115 5.519 3.656 460 HG LEU 60 HG LEU 60 6.983 4.453 5.454 461 HD11 LEU 60 1HD1 LEU 60 9.423 4.073 5.295 462 HD12 LEU 60 2HD1 LEU 60 8.780 3.856 6.926 463 HD13 LEU 60 3HD1 LEU 60 9.659 5.327 6.517 464 HD21 LEU 60 3HD2 LEU 60 6.925 5.348 7.725 465 HD22 LEU 60 1HD2 LEU 60 6.109 6.417 6.584 466 HD23 LEU 60 2HD2 LEU 60 7.725 6.816 7.166 467 H GLY 61 H GLY 61 10.719 8.978 4.137 468 HA2 GLY 61 1HA GLY 61 10.086 9.317 1.348 469 HA3 GLY 61 2HA GLY 61 11.361 10.136 2.239 470 H ASP 62 H ASP 62 12.721 7.872 3.205 471 HA ASP 62 HA ASP 62 14.441 7.326 1.053 472 HB2 ASP 62 1HB ASP 62 14.108 5.839 3.667 473 HB3 ASP 62 2HB ASP 62 15.422 5.567 2.534 474 H VAL 63 H VAL 63 11.987 5.273 2.608 475 HA VAL 63 HA VAL 63 12.337 3.082 0.874 476 HB VAL 63 HB VAL 63 11.162 2.715 2.945 477 HG11 VAL 63 1HG1 VAL 63 10.191 4.932 3.190 478 HG12 VAL 63 2HG1 VAL 63 9.034 3.630 3.467 479 HG13 VAL 63 3HG1 VAL 63 9.005 4.530 1.947 480 HG21 VAL 63 3HG2 VAL 63 9.279 2.437 0.621 481 HG22 VAL 63 1HG2 VAL 63 9.139 1.588 2.161 482 HG23 VAL 63 2HG2 VAL 63 10.517 1.274 1.102 483 H ALA 64 H ALA 64 10.242 5.916 0.719 484 HA ALA 64 HA ALA 64 8.796 5.255 -1.568 485 HB1 ALA 64 1HB ALA 64 8.398 7.641 -1.825 486 HB2 ALA 64 2HB ALA 64 9.710 7.992 -0.700 487 HB3 ALA 64 3HB ALA 64 8.259 7.163 -0.134 488 H GLN 65 H GLN 65 12.040 6.541 -1.203 489 HA GLN 65 HA GLN 65 12.357 7.137 -3.992 490 HB2 GLN 65 1HB GLN 65 14.344 6.924 -1.721 491 HB3 GLN 65 2HB GLN 65 14.789 7.379 -3.362 492 HG2 GLN 65 1HG GLN 65 13.274 9.311 -3.205 493 HG3 GLN 65 2HG GLN 65 12.913 8.861 -1.537 494 HE21 GLN 65 1HE2 GLN 65 15.299 10.132 -3.713 495 HE22 GLN 65 2HE2 GLN 65 16.382 10.727 -2.504 496 H LYS 66 H LYS 66 13.226 4.495 -1.838 497 HA LYS 66 HA LYS 66 14.782 2.968 -3.530 498 HB2 LYS 66 1HB LYS 66 12.783 2.071 -1.457 499 HB3 LYS 66 2HB LYS 66 14.052 1.069 -2.137 500 HG2 LYS 66 1HG LYS 66 15.712 2.692 -1.215 501 HG3 LYS 66 2HG LYS 66 14.365 3.487 -0.401 502 HD2 LYS 66 1HD LYS 66 13.843 1.365 0.744 503 HD3 LYS 66 2HD LYS 66 15.261 0.637 -0.012 504 HE2 LYS 66 1HE LYS 66 15.247 2.979 1.890 505 HE3 LYS 66 2HE LYS 66 15.769 1.338 2.261 506 HZ1 LYS 66 3HZ LYS 66 17.047 3.196 0.330 507 HZ2 LYS 66 1HZ LYS 66 17.523 1.593 0.582 508 HZ3 LYS 66 2HZ LYS 66 17.666 2.726 1.830 509 H ASN 67 H ASN 67 11.305 3.226 -3.248 510 HA ASN 67 HA ASN 67 10.916 1.201 -5.309 511 HB2 ASN 67 1HB ASN 67 8.955 2.645 -3.514 512 HB3 ASN 67 2HB ASN 67 8.496 1.454 -4.725 513 HD21 ASN 67 1HD2 ASN 67 10.210 1.968 -1.721 514 HD22 ASN 67 2HD2 ASN 67 10.238 0.312 -1.225 515 H GLU 68 H GLU 68 11.694 4.268 -5.356 516 HA GLU 68 HA GLU 68 11.568 5.997 -6.792 517 HB2 GLU 68 1HB GLU 68 10.659 3.825 -8.680 518 HB3 GLU 68 2HB GLU 68 11.157 5.438 -9.171 519 HG2 GLU 68 1HG GLU 68 13.363 4.956 -8.020 520 HG3 GLU 68 2HG GLU 68 12.830 3.279 -7.930 521 H VAL 69 H VAL 69 9.514 6.044 -5.135 522 HA VAL 69 HA VAL 69 7.000 6.278 -6.540 523 HB VAL 69 HB VAL 69 7.779 6.913 -3.690 524 HG11 VAL 69 1HG1 VAL 69 5.408 7.089 -3.201 525 HG12 VAL 69 2HG1 VAL 69 5.020 6.819 -4.898 526 HG13 VAL 69 3HG1 VAL 69 5.874 8.283 -4.413 527 HG21 VAL 69 3HG2 VAL 69 6.256 4.598 -4.876 528 HG22 VAL 69 1HG2 VAL 69 6.527 4.873 -3.156 529 HG23 VAL 69 2HG2 VAL 69 7.894 4.546 -4.224 530 H SER 70 H SER 70 6.419 8.029 -7.628 531 HA SER 70 HA SER 70 7.411 10.636 -6.725 532 HB2 SER 70 1HB SER 70 8.432 9.934 -8.864 533 HB3 SER 70 2HB SER 70 6.820 9.866 -9.548 534 HG SER 70 HG SER 70 6.695 12.162 -8.777 535 H ALA 71 H ALA 71 4.738 8.683 -7.405 536 HA ALA 71 HA ALA 71 2.940 11.014 -7.443 537 HB1 ALA 71 1HB ALA 71 2.708 9.628 -9.423 538 HB2 ALA 71 2HB ALA 71 1.261 9.501 -8.424 539 HB3 ALA 71 3HB ALA 71 2.451 8.200 -8.420 540 H MET 72 H MET 72 0.873 10.711 -6.268 541 HA MET 72 HA MET 72 1.008 8.743 -4.117 542 HB2 MET 72 1HB MET 72 0.429 10.515 -2.436 543 HB3 MET 72 2HB MET 72 2.058 10.632 -3.085 544 HG2 MET 72 1HG MET 72 1.318 12.826 -3.048 545 HG3 MET 72 2HG MET 72 1.081 12.338 -4.722 546 HE1 MET 72 3HE MET 72 -0.334 14.912 -3.967 547 HE2 MET 72 1HE MET 72 -1.974 14.607 -4.537 548 HE3 MET 72 2HE MET 72 -0.593 14.046 -5.482 549 HA PRO 73 HA PRO 73 -0.056 7.998 -2.566 550 HB2 PRO 73 1HB PRO 73 -2.220 6.067 -2.540 551 HB3 PRO 73 2HB PRO 73 -1.651 7.102 -1.231 552 HG2 PRO 73 1HG PRO 73 -4.072 7.411 -2.433 553 HG3 PRO 73 2HG PRO 73 -3.169 8.750 -1.701 554 HD2 PRO 73 1HD PRO 73 -3.389 7.965 -4.583 555 HD3 PRO 73 2HD PRO 73 -3.424 9.582 -3.851 556 H THR 74 H THR 74 0.746 5.717 -2.600 557 HA THR 74 HA THR 74 0.604 4.575 -5.295 558 HB THR 74 HB THR 74 3.063 4.836 -3.552 559 HG1 THR 74 1HG THR 74 2.538 6.723 -4.748 560 HG21 THR 74 3HG2 THR 74 3.055 2.675 -4.711 561 HG22 THR 74 1HG2 THR 74 4.286 3.752 -5.375 562 HG23 THR 74 2HG2 THR 74 2.772 3.498 -6.245 563 H LEU 75 H LEU 75 -0.227 2.607 -5.262 564 HA LEU 75 HA LEU 75 -0.234 1.114 -2.732 565 HB2 LEU 75 1HB LEU 75 -2.170 1.469 -4.948 566 HB3 LEU 75 2HB LEU 75 -2.100 -0.102 -4.183 567 HG LEU 75 HG LEU 75 -3.879 1.320 -3.249 568 HD11 LEU 75 1HD1 LEU 75 -1.620 0.631 -1.394 569 HD12 LEU 75 2HD1 LEU 75 -3.022 -0.353 -1.805 570 HD13 LEU 75 3HD1 LEU 75 -3.225 1.116 -0.851 571 HD21 LEU 75 3HD2 LEU 75 -3.244 3.250 -1.824 572 HD22 LEU 75 1HD2 LEU 75 -2.936 3.504 -3.543 573 HD23 LEU 75 2HD2 LEU 75 -1.602 3.123 -2.455 574 H LEU 76 H LEU 76 1.322 -0.399 -2.759 575 HA LEU 76 HA LEU 76 1.505 -2.037 -5.202 576 HB2 LEU 76 1HB LEU 76 3.828 -1.529 -3.344 577 HB3 LEU 76 2HB LEU 76 3.868 -2.227 -4.948 578 HG LEU 76 HG LEU 76 3.226 0.664 -4.365 579 HD11 LEU 76 1HD1 LEU 76 5.463 1.141 -5.215 580 HD12 LEU 76 2HD1 LEU 76 5.785 -0.587 -5.355 581 HD13 LEU 76 3HD1 LEU 76 5.533 0.137 -3.766 582 HD21 LEU 76 3HD2 LEU 76 2.241 -0.150 -6.432 583 HD22 LEU 76 1HD2 LEU 76 3.805 -0.785 -6.942 584 HD23 LEU 76 2HD2 LEU 76 3.574 0.955 -6.770 585 H LEU 77 H LEU 77 0.706 -3.994 -4.747 586 HA LEU 77 HA LEU 77 1.105 -5.007 -2.045 587 HB2 LEU 77 1HB LEU 77 -0.035 -6.991 -3.700 588 HB3 LEU 77 2HB LEU 77 -0.768 -6.123 -2.376 589 HG LEU 77 HG LEU 77 -0.760 -5.149 -5.235 590 HD11 LEU 77 1HD1 LEU 77 -3.121 -5.890 -5.190 591 HD12 LEU 77 2HD1 LEU 77 -2.846 -6.599 -3.597 592 HD13 LEU 77 3HD1 LEU 77 -1.993 -7.234 -5.009 593 HD21 LEU 77 3HD2 LEU 77 -2.434 -4.282 -2.876 594 HD22 LEU 77 1HD2 LEU 77 -2.456 -3.606 -4.504 595 HD23 LEU 77 2HD2 LEU 77 -1.031 -3.400 -3.485 596 H PHE 78 H PHE 78 2.723 -6.234 -1.512 597 HA PHE 78 HA PHE 78 4.415 -7.210 -3.681 598 HB2 PHE 78 1HB PHE 78 4.966 -6.255 -0.907 599 HB3 PHE 78 2HB PHE 78 6.095 -7.368 -1.661 600 HD1 PHE 78 2HD PHE 78 7.426 -6.678 -3.566 601 HD2 PHE 78 1HD PHE 78 4.722 -3.988 -1.683 602 HE1 PHE 78 2HE PHE 78 8.517 -4.791 -4.707 603 HE2 PHE 78 1HE PHE 78 5.808 -2.095 -2.816 604 HZ PHE 78 HZ PHE 78 7.707 -2.494 -4.333 605 H LYS 79 H LYS 79 5.485 -9.217 -3.477 606 HA LYS 79 HA LYS 79 4.452 -11.083 -1.480 607 HB2 LYS 79 1HB LYS 79 3.036 -11.343 -3.417 608 HB3 LYS 79 2HB LYS 79 4.434 -11.449 -4.475 609 HG2 LYS 79 1HG LYS 79 5.047 -13.566 -3.313 610 HG3 LYS 79 2HG LYS 79 3.538 -13.452 -2.405 611 HD2 LYS 79 1HD LYS 79 3.214 -14.934 -4.278 612 HD3 LYS 79 2HD LYS 79 2.300 -13.452 -4.557 613 HE2 LYS 79 1HE LYS 79 4.069 -12.625 -6.021 614 HE3 LYS 79 2HE LYS 79 5.013 -14.081 -5.715 615 HZ1 LYS 79 3HZ LYS 79 2.360 -13.988 -7.041 616 HZ2 LYS 79 1HZ LYS 79 3.266 -15.386 -6.751 617 HZ3 LYS 79 2HZ LYS 79 3.844 -14.209 -7.817 618 H ASN 80 H ASN 80 6.136 -12.014 -0.554 619 HA ASN 80 HA ASN 80 8.282 -12.552 -0.041 620 HB2 ASN 80 1HB ASN 80 9.200 -13.758 -2.455 621 HB3 ASN 80 2HB ASN 80 8.677 -14.536 -0.972 622 HD21 ASN 80 1HD2 ASN 80 7.816 -13.628 -4.191 623 HD22 ASN 80 2HD2 ASN 80 6.341 -14.521 -4.272 624 H GLY 81 H GLY 81 8.085 -9.926 -0.970 625 HA2 GLY 81 1HA GLY 81 9.434 -8.174 -1.594 626 HA3 GLY 81 2HA GLY 81 10.783 -9.291 -1.481 627 H LYS 82 H LYS 82 8.358 -10.309 -3.620 628 HA LYS 82 HA LYS 82 9.958 -9.408 -5.913 629 HB2 LYS 82 1HB LYS 82 8.591 -12.035 -5.369 630 HB3 LYS 82 2HB LYS 82 9.221 -11.582 -6.939 631 HG2 LYS 82 1HG LYS 82 11.465 -11.439 -6.037 632 HG3 LYS 82 2HG LYS 82 10.853 -11.801 -4.423 633 HD2 LYS 82 1HD LYS 82 10.116 -13.997 -5.189 634 HD3 LYS 82 2HD LYS 82 10.697 -13.633 -6.815 635 HE2 LYS 82 1HE LYS 82 12.300 -15.018 -5.614 636 HE3 LYS 82 2HE LYS 82 12.978 -13.428 -5.955 637 HZ1 LYS 82 3HZ LYS 82 13.459 -14.180 -3.697 638 HZ2 LYS 82 1HZ LYS 82 11.807 -14.261 -3.354 639 HZ3 LYS 82 2HZ LYS 82 12.530 -12.770 -3.689 640 H GLU 83 H GLU 83 7.442 -8.538 -4.476 641 HA GLU 83 HA GLU 83 5.574 -7.424 -4.932 642 HB2 GLU 83 1HB GLU 83 5.325 -6.260 -6.964 643 HB3 GLU 83 2HB GLU 83 7.051 -6.380 -6.681 644 HG2 GLU 83 1HG GLU 83 7.110 -8.289 -8.274 645 HG3 GLU 83 2HG GLU 83 5.411 -7.984 -8.626 646 H VAL 84 H VAL 84 3.496 -7.426 -6.316 647 HA VAL 84 HA VAL 84 2.905 -9.989 -7.511 648 HB VAL 84 HB VAL 84 2.320 -9.895 -4.956 649 HG11 VAL 84 1HG1 VAL 84 -0.052 -9.279 -4.582 650 HG12 VAL 84 2HG1 VAL 84 -0.073 -8.557 -6.191 651 HG13 VAL 84 3HG1 VAL 84 0.997 -7.905 -4.949 652 HG21 VAL 84 3HG2 VAL 84 0.489 -11.010 -7.056 653 HG22 VAL 84 1HG2 VAL 84 0.468 -11.466 -5.350 654 HG23 VAL 84 2HG2 VAL 84 1.894 -11.798 -6.337 655 H ALA 85 H ALA 85 2.024 -6.678 -6.780 656 HA ALA 85 HA ALA 85 1.050 -6.291 -9.468 657 HB1 ALA 85 1HB ALA 85 -0.887 -5.908 -7.198 658 HB2 ALA 85 2HB ALA 85 -0.997 -7.152 -8.442 659 HB3 ALA 85 3HB ALA 85 -1.166 -5.445 -8.880 660 H LYS 86 H LYS 86 0.382 -4.022 -9.835 661 HA LYS 86 HA LYS 86 1.329 -2.175 -7.807 662 HB2 LYS 86 1HB LYS 86 3.314 -2.482 -9.115 663 HB3 LYS 86 2HB LYS 86 2.418 -2.302 -10.618 664 HG2 LYS 86 1HG LYS 86 1.995 0.034 -10.115 665 HG3 LYS 86 2HG LYS 86 2.831 -0.131 -8.572 666 HD2 LYS 86 1HD LYS 86 4.864 -0.827 -9.885 667 HD3 LYS 86 2HD LYS 86 3.994 -0.328 -11.338 668 HE2 LYS 86 1HE LYS 86 3.739 1.931 -10.363 669 HE3 LYS 86 2HE LYS 86 4.688 1.408 -8.973 670 HZ1 LYS 86 3HZ LYS 86 6.078 2.574 -10.532 671 HZ2 LYS 86 1HZ LYS 86 5.631 1.530 -11.782 672 HZ3 LYS 86 2HZ LYS 86 6.541 0.952 -10.481 673 H VAL 87 H VAL 87 -0.093 -0.599 -7.537 674 HA VAL 87 HA VAL 87 -1.247 0.632 -9.951 675 HB VAL 87 HB VAL 87 -2.737 0.498 -7.319 676 HG11 VAL 87 1HG1 VAL 87 -4.628 1.266 -8.698 677 HG12 VAL 87 2HG1 VAL 87 -3.562 1.332 -10.101 678 HG13 VAL 87 3HG1 VAL 87 -3.275 2.401 -8.724 679 HG21 VAL 87 3HG2 VAL 87 -4.201 -1.174 -8.251 680 HG22 VAL 87 1HG2 VAL 87 -2.543 -1.772 -8.308 681 HG23 VAL 87 2HG2 VAL 87 -3.309 -1.163 -9.776 682 H VAL 88 H VAL 88 -1.256 2.865 -9.912 683 HA VAL 88 HA VAL 88 -0.001 4.134 -7.616 684 HB VAL 88 HB VAL 88 1.913 3.377 -8.739 685 HG11 VAL 88 1HG1 VAL 88 2.310 3.559 -11.111 686 HG12 VAL 88 2HG1 VAL 88 0.787 4.418 -11.328 687 HG13 VAL 88 3HG1 VAL 88 0.777 2.725 -10.816 688 HG21 VAL 88 3HG2 VAL 88 2.105 5.707 -8.083 689 HG22 VAL 88 1HG2 VAL 88 1.462 6.218 -9.644 690 HG23 VAL 88 2HG2 VAL 88 3.023 5.400 -9.558 691 H GLY 89 H GLY 89 -1.992 5.247 -7.463 692 HA2 GLY 89 1HA GLY 89 -1.938 7.843 -8.058 693 HA3 GLY 89 2HA GLY 89 -2.591 7.188 -9.550 694 H ALA 90 H ALA 90 -3.128 6.829 -6.046 695 HA ALA 90 HA ALA 90 -5.011 6.835 -4.767 696 HB1 ALA 90 1HB ALA 90 -5.150 9.137 -5.597 697 HB2 ALA 90 2HB ALA 90 -6.749 8.438 -5.334 698 HB3 ALA 90 3HB ALA 90 -6.107 8.579 -6.971 699 H ASN 91 H ASN 91 -5.456 4.623 -4.964 700 HA ASN 91 HA ASN 91 -7.614 3.988 -6.850 701 HB2 ASN 91 1HB ASN 91 -6.645 1.690 -7.018 702 HB3 ASN 91 2HB ASN 91 -5.664 2.955 -7.748 703 HD21 ASN 91 1HD2 ASN 91 -5.168 0.218 -6.546 704 HD22 ASN 91 2HD2 ASN 91 -3.833 0.466 -5.482 705 HA PRO 92 HA PRO 92 -9.207 2.509 -2.763 706 HB2 PRO 92 1HB PRO 92 -11.688 3.706 -3.772 707 HB3 PRO 92 2HB PRO 92 -10.898 3.930 -2.211 708 HG2 PRO 92 1HG PRO 92 -10.988 5.863 -4.105 709 HG3 PRO 92 2HG PRO 92 -9.661 5.709 -2.942 710 HD2 PRO 92 1HD PRO 92 -9.762 4.932 -5.825 711 HD3 PRO 92 2HD PRO 92 -8.413 5.593 -4.882 712 H ALA 93 H ALA 93 -10.748 2.811 -5.967 713 HA ALA 93 HA ALA 93 -12.081 0.255 -5.635 714 HB1 ALA 93 1HB ALA 93 -13.146 0.740 -7.761 715 HB2 ALA 93 2HB ALA 93 -12.090 2.133 -7.994 716 HB3 ALA 93 3HB ALA 93 -13.269 2.130 -6.684 717 H ALA 94 H ALA 94 -9.412 1.638 -7.474 718 HA ALA 94 HA ALA 94 -9.043 -0.719 -9.065 719 HB1 ALA 94 1HB ALA 94 -7.262 1.674 -8.684 720 HB2 ALA 94 2HB ALA 94 -8.373 1.368 -10.014 721 HB3 ALA 94 3HB ALA 94 -6.945 0.353 -9.805 722 H ILE 95 H ILE 95 -8.011 0.223 -5.878 723 HA ILE 95 HA ILE 95 -5.836 -1.539 -5.635 724 HB ILE 95 HB ILE 95 -6.741 0.034 -3.775 725 HG12 ILE 95 1HG1 ILE 95 -5.677 -1.293 -2.056 726 HG13 ILE 95 2HG1 ILE 95 -5.995 -2.785 -2.940 727 HG21 ILE 95 1HG2 ILE 95 -8.200 -0.994 -2.121 728 HG22 ILE 95 2HG2 ILE 95 -8.368 -2.431 -3.142 729 HG23 ILE 95 3HG2 ILE 95 -9.016 -0.874 -3.681 730 HD11 ILE 95 3HD1 ILE 95 -4.393 -2.210 -4.605 731 HD12 ILE 95 1HD1 ILE 95 -3.643 -2.006 -3.026 732 HD13 ILE 95 2HD1 ILE 95 -4.190 -0.595 -3.931 733 H LYS 96 H LYS 96 -9.280 -1.975 -5.564 734 HA LYS 96 HA LYS 96 -9.381 -4.632 -4.748 735 HB2 LYS 96 1HB LYS 96 -11.293 -3.035 -4.846 736 HB3 LYS 96 2HB LYS 96 -11.288 -3.196 -6.597 737 HG2 LYS 96 1HG LYS 96 -12.988 -4.603 -5.670 738 HG3 LYS 96 2HG LYS 96 -11.692 -5.587 -6.350 739 HD2 LYS 96 1HD LYS 96 -10.752 -5.927 -4.120 740 HD3 LYS 96 2HD LYS 96 -12.032 -4.918 -3.430 741 HE2 LYS 96 1HE LYS 96 -13.713 -6.503 -4.318 742 HE3 LYS 96 2HE LYS 96 -12.404 -7.537 -4.878 743 HZ1 LYS 96 3HZ LYS 96 -13.333 -8.248 -2.747 744 HZ2 LYS 96 1HZ LYS 96 -12.869 -6.780 -2.042 745 HZ3 LYS 96 2HZ LYS 96 -11.697 -7.858 -2.620 746 H GLN 97 H GLN 97 -8.709 -3.133 -7.836 747 HA GLN 97 HA GLN 97 -8.889 -5.357 -9.520 748 HB2 GLN 97 1HB GLN 97 -8.531 -3.058 -10.353 749 HB3 GLN 97 2HB GLN 97 -6.923 -3.044 -9.651 750 HG2 GLN 97 1HG GLN 97 -7.728 -5.069 -11.713 751 HG3 GLN 97 2HG GLN 97 -7.157 -3.469 -12.163 752 HE21 GLN 97 1HE2 GLN 97 -5.174 -3.223 -10.107 753 HE22 GLN 97 2HE2 GLN 97 -3.894 -4.344 -10.463 754 H ALA 98 H ALA 98 -6.032 -4.036 -7.868 755 HA ALA 98 HA ALA 98 -4.420 -6.330 -8.485 756 HB1 ALA 98 1HB ALA 98 -2.740 -5.241 -6.991 757 HB2 ALA 98 2HB ALA 98 -3.964 -4.053 -6.534 758 HB3 ALA 98 3HB ALA 98 -3.389 -4.128 -8.198 759 H ILE 99 H ILE 99 -6.510 -5.446 -5.993 760 HA ILE 99 HA ILE 99 -5.315 -7.093 -4.003 761 HB ILE 99 HB ILE 99 -7.063 -4.930 -3.996 762 HG12 ILE 99 1HG1 ILE 99 -5.286 -5.206 -2.462 763 HG13 ILE 99 2HG1 ILE 99 -6.770 -5.238 -1.506 764 HG21 ILE 99 1HG2 ILE 99 -8.418 -7.110 -2.477 765 HG22 ILE 99 2HG2 ILE 99 -8.917 -6.638 -4.101 766 HG23 ILE 99 3HG2 ILE 99 -8.965 -5.454 -2.787 767 HD11 ILE 99 3HD1 ILE 99 -4.789 -7.322 -1.919 768 HD12 ILE 99 1HD1 ILE 99 -6.455 -7.865 -2.190 769 HD13 ILE 99 2HD1 ILE 99 -5.991 -7.131 -0.640 770 H ALA 100 H ALA 100 -8.087 -7.386 -6.111 771 HA ALA 100 HA ALA 100 -8.870 -9.822 -4.775 772 HB1 ALA 100 1HB ALA 100 -10.065 -8.531 -7.234 773 HB2 ALA 100 2HB ALA 100 -10.620 -8.297 -5.577 774 HB3 ALA 100 3HB ALA 100 -10.753 -9.884 -6.335 775 H ALA 101 H ALA 101 -7.337 -8.764 -7.728 776 HA ALA 101 HA ALA 101 -7.296 -11.255 -9.051 777 HB1 ALA 101 1HB ALA 101 -6.902 -9.145 -10.221 778 HB2 ALA 101 2HB ALA 101 -5.566 -10.270 -10.463 779 HB3 ALA 101 3HB ALA 101 -5.395 -8.930 -9.331 780 H ASN 102 H ASN 102 -5.068 -9.679 -6.768 781 HA ASN 102 HA ASN 102 -3.322 -12.027 -7.013 782 HB2 ASN 102 1HB ASN 102 -2.841 -9.387 -5.649 783 HB3 ASN 102 2HB ASN 102 -1.683 -10.716 -5.697 784 HD21 ASN 102 1HD2 ASN 102 -3.196 -8.191 -7.450 785 HD22 ASN 102 2HD2 ASN 102 -2.255 -8.329 -8.901 786 H ALA 103 H ALA 103 -4.414 -10.095 -4.194 787 HA ALA 103 HA ALA 103 -4.011 -12.133 -2.304 788 HB1 ALA 103 1HB ALA 103 -5.246 -10.838 -0.750 789 HB2 ALA 103 2HB ALA 103 -6.180 -10.067 -2.028 790 HB3 ALA 103 3HB ALA 103 -4.480 -9.675 -1.832 Start of MODEL 17 1 H1 MET 1 1H MET 1 -8.020 -0.913 11.367 2 H2 MET 1 2H MET 1 -8.343 0.175 12.620 3 H3 MET 1 3H MET 1 -7.027 -0.879 12.732 4 HA MET 1 HA MET 1 -7.325 1.262 10.719 5 HB2 MET 1 1HB MET 1 -6.088 1.189 13.412 6 HB3 MET 1 2HB MET 1 -5.160 1.981 12.146 7 HG2 MET 1 1HG MET 1 -7.988 2.658 12.920 8 HG3 MET 1 2HG MET 1 -6.548 3.550 13.405 9 HE1 MET 1 3HE MET 1 -5.016 4.903 11.766 10 HE2 MET 1 1HE MET 1 -5.280 5.028 10.027 11 HE3 MET 1 2HE MET 1 -4.773 3.494 10.733 12 H VAL 2 H VAL 2 -6.014 1.098 9.030 13 HA VAL 2 HA VAL 2 -4.200 -1.133 8.876 14 HB VAL 2 HB VAL 2 -4.846 -1.056 6.762 15 HG11 VAL 2 1HG1 VAL 2 -5.742 1.789 7.130 16 HG12 VAL 2 2HG1 VAL 2 -6.734 0.330 7.236 17 HG13 VAL 2 3HG1 VAL 2 -6.025 0.802 5.692 18 HG21 VAL 2 3HG2 VAL 2 -3.197 1.452 6.578 19 HG22 VAL 2 1HG2 VAL 2 -3.699 0.434 5.231 20 HG23 VAL 2 2HG2 VAL 2 -2.602 -0.203 6.454 21 H THR 3 H THR 3 -2.122 -1.153 9.122 22 HA THR 3 HA THR 3 -1.020 0.809 10.810 23 HB THR 3 HB THR 3 -0.300 -1.837 9.748 24 HG1 THR 3 1HG THR 3 0.143 -2.180 11.936 25 HG21 THR 3 3HG2 THR 3 1.884 -0.019 10.761 26 HG22 THR 3 1HG2 THR 3 1.702 -0.588 9.096 27 HG23 THR 3 2HG2 THR 3 2.037 -1.738 10.400 28 H GLN 4 H GLN 4 0.584 2.241 10.578 29 HA GLN 4 HA GLN 4 1.735 2.619 7.905 30 HB2 GLN 4 1HB GLN 4 2.449 4.886 8.945 31 HB3 GLN 4 2HB GLN 4 0.776 4.670 8.462 32 HG2 GLN 4 1HG GLN 4 0.590 5.693 10.518 33 HG3 GLN 4 2HG GLN 4 0.377 3.985 10.907 34 HE21 GLN 4 1HE2 GLN 4 3.487 5.490 10.188 35 HE22 GLN 4 2HE2 GLN 4 4.130 5.316 11.782 36 H PHE 5 H PHE 5 3.892 2.438 7.628 37 HA PHE 5 HA PHE 5 5.434 1.342 9.829 38 HB2 PHE 5 1HB PHE 5 6.049 1.633 6.887 39 HB3 PHE 5 2HB PHE 5 7.226 1.061 8.055 40 HD1 PHE 5 2HD PHE 5 5.508 -0.686 9.743 41 HD2 PHE 5 1HD PHE 5 5.694 -0.205 5.519 42 HE1 PHE 5 2HE PHE 5 4.702 -2.991 9.444 43 HE2 PHE 5 1HE PHE 5 4.894 -2.513 5.205 44 HZ PHE 5 HZ PHE 5 4.395 -3.905 7.178 45 H LYS 6 H LYS 6 7.724 2.140 10.076 46 HA LYS 6 HA LYS 6 7.818 5.052 9.717 47 HB2 LYS 6 1HB LYS 6 9.001 5.170 11.897 48 HB3 LYS 6 2HB LYS 6 7.334 4.619 12.016 49 HG2 LYS 6 1HG LYS 6 8.337 2.254 11.981 50 HG3 LYS 6 2HG LYS 6 9.865 3.053 12.346 51 HD2 LYS 6 1HD LYS 6 8.970 3.993 14.357 52 HD3 LYS 6 2HD LYS 6 7.349 3.427 13.957 53 HE2 LYS 6 1HE LYS 6 8.226 1.089 14.068 54 HE3 LYS 6 2HE LYS 6 9.751 1.749 14.660 55 HZ1 LYS 6 3HZ LYS 6 8.367 1.021 16.486 56 HZ2 LYS 6 1HZ LYS 6 7.104 2.027 15.981 57 HZ3 LYS 6 2HZ LYS 6 8.550 2.701 16.542 58 H THR 7 H THR 7 9.357 2.123 9.107 59 HA THR 7 HA THR 7 11.707 3.590 8.184 60 HB THR 7 HB THR 7 13.162 1.671 8.729 61 HG1 THR 7 1HG THR 7 11.784 0.533 10.670 62 HG21 THR 7 3HG2 THR 7 13.363 2.131 11.118 63 HG22 THR 7 1HG2 THR 7 11.766 2.880 11.115 64 HG23 THR 7 2HG2 THR 7 13.087 3.618 10.213 65 H ALA 8 H ALA 8 12.679 2.829 6.303 66 HA ALA 8 HA ALA 8 11.094 1.543 4.376 67 HB1 ALA 8 1HB ALA 8 13.095 2.944 3.888 68 HB2 ALA 8 2HB ALA 8 13.116 1.389 3.057 69 HB3 ALA 8 3HB ALA 8 14.117 1.637 4.486 70 H SER 9 H SER 9 13.367 0.360 6.763 71 HA SER 9 HA SER 9 13.506 -2.312 5.894 72 HB2 SER 9 1HB SER 9 15.124 -1.346 7.476 73 HB3 SER 9 2HB SER 9 13.853 -1.197 8.688 74 HG SER 9 HG SER 9 13.756 -3.384 8.874 75 H GLU 10 H GLU 10 11.226 -0.601 8.032 76 HA GLU 10 HA GLU 10 9.860 -2.906 8.949 77 HB2 GLU 10 1HB GLU 10 9.092 -0.028 8.635 78 HB3 GLU 10 2HB GLU 10 7.848 -1.211 9.011 79 HG2 GLU 10 1HG GLU 10 10.322 -0.672 10.636 80 HG3 GLU 10 2HG GLU 10 8.688 -0.134 11.021 81 H PHE 11 H PHE 11 9.366 -0.855 6.143 82 HA PHE 11 HA PHE 11 7.167 -2.280 5.069 83 HB2 PHE 11 1HB PHE 11 7.334 -0.136 4.269 84 HB3 PHE 11 2HB PHE 11 9.084 -0.201 4.104 85 HD1 PHE 11 2HD PHE 11 5.883 -1.120 2.561 86 HD2 PHE 11 1HD PHE 11 10.098 -0.907 2.085 87 HE1 PHE 11 2HE PHE 11 5.616 -1.502 0.145 88 HE2 PHE 11 1HE PHE 11 9.840 -1.288 -0.338 89 HZ PHE 11 HZ PHE 11 7.600 -1.587 -1.308 90 H ASP 12 H ASP 12 10.644 -2.337 4.341 91 HA ASP 12 HA ASP 12 10.559 -4.203 2.275 92 HB2 ASP 12 1HB ASP 12 12.607 -3.027 4.007 93 HB3 ASP 12 2HB ASP 12 13.007 -4.636 3.424 94 H SER 13 H SER 13 10.768 -4.658 5.762 95 HA SER 13 HA SER 13 11.304 -7.436 5.663 96 HB2 SER 13 1HB SER 13 11.715 -5.973 7.657 97 HB3 SER 13 2HB SER 13 9.971 -5.895 7.903 98 HG SER 13 HG SER 13 9.946 -8.105 8.279 99 H ALA 14 H ALA 14 8.311 -5.564 5.882 100 HA ALA 14 HA ALA 14 6.585 -7.772 6.224 101 HB1 ALA 14 1HB ALA 14 4.817 -6.231 5.362 102 HB2 ALA 14 2HB ALA 14 6.084 -5.044 5.046 103 HB3 ALA 14 3HB ALA 14 5.764 -5.570 6.699 104 H ILE 15 H ILE 15 7.612 -5.988 3.335 105 HA ILE 15 HA ILE 15 5.960 -7.448 1.572 106 HB ILE 15 HB ILE 15 7.238 -6.411 -0.229 107 HG12 ILE 15 1HG1 ILE 15 8.968 -5.160 1.889 108 HG13 ILE 15 2HG1 ILE 15 9.444 -6.625 1.044 109 HG21 ILE 15 1HG2 ILE 15 5.478 -5.134 0.875 110 HG22 ILE 15 2HG2 ILE 15 6.789 -4.073 0.360 111 HG23 ILE 15 3HG2 ILE 15 6.641 -4.532 2.056 112 HD11 ILE 15 3HD1 ILE 15 10.475 -4.684 0.044 113 HD12 ILE 15 1HD1 ILE 15 8.892 -3.947 -0.205 114 HD13 ILE 15 2HD1 ILE 15 9.329 -5.414 -1.080 115 H ALA 16 H ALA 16 8.991 -8.178 3.029 116 HA ALA 16 HA ALA 16 9.801 -10.051 0.985 117 HB1 ALA 16 1HB ALA 16 11.639 -10.589 2.462 118 HB2 ALA 16 2HB ALA 16 10.874 -9.688 3.770 119 HB3 ALA 16 3HB ALA 16 11.455 -8.838 2.336 120 H GLN 17 H GLN 17 7.562 -10.118 3.455 121 HA GLN 17 HA GLN 17 7.941 -12.833 4.291 122 HB2 GLN 17 1HB GLN 17 5.637 -10.916 4.676 123 HB3 GLN 17 2HB GLN 17 5.696 -12.527 5.377 124 HG2 GLN 17 1HG GLN 17 7.659 -11.936 6.654 125 HG3 GLN 17 2HG GLN 17 7.699 -10.345 5.898 126 HE21 GLN 17 1HE2 GLN 17 6.076 -12.391 8.184 127 HE22 GLN 17 2HE2 GLN 17 5.167 -11.143 8.960 128 H ASP 18 H ASP 18 6.415 -14.551 3.912 129 HA ASP 18 HA ASP 18 5.860 -14.756 1.094 130 HB2 ASP 18 1HB ASP 18 5.566 -16.689 3.380 131 HB3 ASP 18 2HB ASP 18 5.175 -17.102 1.719 132 H LYS 19 H LYS 19 4.200 -12.881 2.396 133 HA LYS 19 HA LYS 19 1.592 -14.046 1.757 134 HB2 LYS 19 1HB LYS 19 0.568 -13.457 3.709 135 HB3 LYS 19 2HB LYS 19 2.146 -13.926 4.302 136 HG2 LYS 19 1HG LYS 19 2.774 -11.761 4.774 137 HG3 LYS 19 2HG LYS 19 1.614 -11.069 3.634 138 HD2 LYS 19 1HD LYS 19 0.881 -12.482 6.197 139 HD3 LYS 19 2HD LYS 19 0.961 -10.728 5.998 140 HE2 LYS 19 1HE LYS 19 -0.804 -10.762 4.386 141 HE3 LYS 19 2HE LYS 19 -0.789 -12.524 4.319 142 HZ1 LYS 19 3HZ LYS 19 -2.620 -11.744 5.660 143 HZ2 LYS 19 1HZ LYS 19 -1.574 -10.853 6.656 144 HZ3 LYS 19 2HZ LYS 19 -1.509 -12.547 6.648 145 H LEU 20 H LEU 20 -0.072 -12.297 1.540 146 HA LEU 20 HA LEU 20 0.865 -10.325 -0.286 147 HB2 LEU 20 1HB LEU 20 -1.385 -11.570 -0.215 148 HB3 LEU 20 2HB LEU 20 -1.850 -10.420 1.015 149 HG LEU 20 HG LEU 20 -2.789 -9.747 -1.067 150 HD11 LEU 20 1HD1 LEU 20 -0.471 -7.946 -0.433 151 HD12 LEU 20 2HD1 LEU 20 -2.054 -7.927 0.341 152 HD13 LEU 20 3HD1 LEU 20 -1.904 -7.506 -1.364 153 HD21 LEU 20 3HD2 LEU 20 -1.557 -9.314 -3.060 154 HD22 LEU 20 1HD2 LEU 20 -1.197 -10.954 -2.516 155 HD23 LEU 20 2HD2 LEU 20 -0.028 -9.660 -2.243 156 H VAL 21 H VAL 21 2.062 -8.665 0.521 157 HA VAL 21 HA VAL 21 0.892 -7.151 2.759 158 HB VAL 21 HB VAL 21 3.719 -7.105 1.661 159 HG11 VAL 21 1HG1 VAL 21 2.525 -5.393 3.849 160 HG12 VAL 21 2HG1 VAL 21 2.972 -4.826 2.240 161 HG13 VAL 21 3HG1 VAL 21 4.217 -5.409 3.350 162 HG21 VAL 21 3HG2 VAL 21 2.582 -7.883 4.346 163 HG22 VAL 21 1HG2 VAL 21 4.293 -7.857 3.924 164 HG23 VAL 21 2HG2 VAL 21 3.204 -8.986 3.120 165 H VAL 22 H VAL 22 -0.492 -5.702 1.994 166 HA VAL 22 HA VAL 22 0.231 -4.200 -0.394 167 HB VAL 22 HB VAL 22 -1.904 -4.789 -0.837 168 HG11 VAL 22 1HG1 VAL 22 -2.205 -6.090 1.179 169 HG12 VAL 22 2HG1 VAL 22 -3.661 -5.197 0.753 170 HG13 VAL 22 3HG1 VAL 22 -2.631 -4.629 2.070 171 HG21 VAL 22 3HG2 VAL 22 -1.955 -2.365 -0.838 172 HG22 VAL 22 1HG2 VAL 22 -2.370 -2.353 0.878 173 HG23 VAL 22 2HG2 VAL 22 -3.511 -3.001 -0.300 174 H VAL 23 H VAL 23 1.504 -2.597 0.054 175 HA VAL 23 HA VAL 23 0.983 -0.879 2.387 176 HB VAL 23 HB VAL 23 3.453 -1.327 0.705 177 HG11 VAL 23 1HG1 VAL 23 3.288 1.053 1.201 178 HG12 VAL 23 2HG1 VAL 23 4.583 0.309 2.137 179 HG13 VAL 23 3HG1 VAL 23 3.043 0.686 2.908 180 HG21 VAL 23 3HG2 VAL 23 3.129 -1.610 3.677 181 HG22 VAL 23 1HG2 VAL 23 4.402 -2.259 2.649 182 HG23 VAL 23 2HG2 VAL 23 2.773 -2.928 2.566 183 H ALA 24 H ALA 24 0.512 1.291 2.122 184 HA ALA 24 HA ALA 24 0.710 2.431 -0.582 185 HB1 ALA 24 1HB ALA 24 -1.472 3.223 1.290 186 HB2 ALA 24 2HB ALA 24 -1.658 1.872 0.174 187 HB3 ALA 24 3HB ALA 24 -1.356 3.496 -0.447 188 H PHE 25 H PHE 25 1.963 4.076 -0.736 189 HA PHE 25 HA PHE 25 2.928 5.506 1.527 190 HB2 PHE 25 1HB PHE 25 3.153 5.934 -1.442 191 HB3 PHE 25 2HB PHE 25 3.899 7.025 -0.273 192 HD1 PHE 25 2HD PHE 25 5.261 5.701 1.626 193 HD2 PHE 25 1HD PHE 25 4.500 4.290 -2.315 194 HE1 PHE 25 2HE PHE 25 7.195 4.197 1.794 195 HE2 PHE 25 1HE PHE 25 6.444 2.781 -2.153 196 HZ PHE 25 HZ PHE 25 7.787 2.735 -0.095 197 H TYR 26 H TYR 26 2.084 7.144 2.539 198 HA TYR 26 HA TYR 26 -0.243 8.564 1.394 199 HB2 TYR 26 1HB TYR 26 0.250 7.255 3.990 200 HB3 TYR 26 2HB TYR 26 -0.437 8.864 4.111 201 HD1 TYR 26 1HD TYR 26 -1.049 5.957 1.834 202 HD2 TYR 26 2HD TYR 26 -2.634 8.772 4.595 203 HE1 TYR 26 1HE TYR 26 -3.291 5.005 1.516 204 HE2 TYR 26 2HE TYR 26 -4.877 7.833 4.283 205 HH TYR 26 HH TYR 26 -6.087 6.558 2.536 206 H ALA 27 H ALA 27 -0.635 10.569 2.914 207 HA ALA 27 HA ALA 27 1.685 11.751 4.087 208 HB1 ALA 27 1HB ALA 27 0.506 13.040 1.613 209 HB2 ALA 27 2HB ALA 27 2.103 12.300 1.730 210 HB3 ALA 27 3HB ALA 27 1.733 13.752 2.661 211 H THR 28 H THR 28 1.120 13.729 5.211 212 HA THR 28 HA THR 28 -1.595 13.649 6.178 213 HB THR 28 HB THR 28 -0.586 15.604 7.624 214 HG1 THR 28 1HG THR 28 1.533 15.844 7.456 215 HG21 THR 28 3HG2 THR 28 -1.199 13.412 8.502 216 HG22 THR 28 1HG2 THR 28 0.350 13.928 9.168 217 HG23 THR 28 2HG2 THR 28 0.303 12.727 7.880 218 H TRP 29 H TRP 29 -0.210 15.132 3.601 219 HA TRP 29 HA TRP 29 -1.821 17.576 3.878 220 HB2 TRP 29 1HB TRP 29 -0.100 18.735 2.559 221 HB3 TRP 29 2HB TRP 29 0.547 18.080 4.060 222 HD1 TRP 29 HD TRP 29 0.507 17.367 0.300 223 HE1 TRP 29 1HE TRP 29 2.606 16.000 -0.312 224 HE3 TRP 29 3HE TRP 29 2.336 16.599 4.997 225 HZ2 TRP 29 2HZ TRP 29 4.759 14.762 1.045 226 HZ3 TRP 29 3HZ TRP 29 4.414 15.311 5.260 227 HH2 TRP 29 HH TRP 29 5.599 14.413 3.326 228 H CYS 30 H CYS 30 -2.447 14.927 2.521 229 HA CYS 30 HA CYS 30 -2.819 16.029 -0.182 230 HB2 CYS 30 1HB CYS 30 -2.842 13.582 -0.936 231 HB3 CYS 30 2HB CYS 30 -1.291 14.301 -0.525 232 H GLY 31 H GLY 31 -4.680 15.579 -1.297 233 HA2 GLY 31 1HA GLY 31 -7.036 15.096 0.311 234 HA3 GLY 31 2HA GLY 31 -6.995 15.561 -1.380 235 HA PRO 32 HA PRO 32 -7.500 11.467 -2.998 236 HB2 PRO 32 1HB PRO 32 -4.611 10.810 -3.256 237 HB3 PRO 32 2HB PRO 32 -5.896 10.727 -4.463 238 HG2 PRO 32 1HG PRO 32 -4.109 12.682 -4.540 239 HG3 PRO 32 2HG PRO 32 -5.815 13.002 -4.896 240 HD2 PRO 32 1HD PRO 32 -4.254 13.591 -2.416 241 HD3 PRO 32 2HD PRO 32 -5.505 14.562 -3.209 242 H CYS 33 H CYS 33 -4.593 11.288 -0.947 243 HA CYS 33 HA CYS 33 -4.832 8.695 0.001 244 HB2 CYS 33 1HB CYS 33 -3.617 9.571 2.030 245 HB3 CYS 33 2HB CYS 33 -2.865 9.971 0.486 246 H LYS 34 H LYS 34 -6.544 11.580 1.061 247 HA LYS 34 HA LYS 34 -7.649 10.417 3.381 248 HB2 LYS 34 1HB LYS 34 -8.647 12.732 1.718 249 HB3 LYS 34 2HB LYS 34 -9.268 12.292 3.303 250 HG2 LYS 34 1HG LYS 34 -6.996 12.649 4.233 251 HG3 LYS 34 2HG LYS 34 -6.487 13.233 2.648 252 HD2 LYS 34 1HD LYS 34 -8.226 14.983 2.776 253 HD3 LYS 34 2HD LYS 34 -8.638 14.422 4.398 254 HE2 LYS 34 1HE LYS 34 -5.995 15.562 3.497 255 HE3 LYS 34 2HE LYS 34 -7.180 16.347 4.538 256 HZ1 LYS 34 3HZ LYS 34 -5.458 15.468 5.899 257 HZ2 LYS 34 1HZ LYS 34 -5.558 13.945 5.170 258 HZ3 LYS 34 2HZ LYS 34 -6.825 14.502 6.139 259 H MET 35 H MET 35 -8.997 10.830 0.085 260 HA MET 35 HA MET 35 -11.511 9.725 0.772 261 HB2 MET 35 1HB MET 35 -11.910 9.545 -1.650 262 HB3 MET 35 2HB MET 35 -11.331 11.130 -1.165 263 HG2 MET 35 1HG MET 35 -9.056 10.418 -1.888 264 HG3 MET 35 2HG MET 35 -9.789 8.949 -2.521 265 HE1 MET 35 3HE MET 35 -9.461 12.817 -2.831 266 HE2 MET 35 1HE MET 35 -11.194 12.658 -2.549 267 HE3 MET 35 2HE MET 35 -10.603 13.200 -4.119 268 H ILE 36 H ILE 36 -8.663 8.187 -0.733 269 HA ILE 36 HA ILE 36 -10.029 5.682 -0.883 270 HB ILE 36 HB ILE 36 -8.388 5.131 -2.257 271 HG12 ILE 36 1HG1 ILE 36 -7.443 4.335 0.116 272 HG13 ILE 36 2HG1 ILE 36 -6.591 4.034 -1.379 273 HG21 ILE 36 1HG2 ILE 36 -7.992 7.501 -2.603 274 HG22 ILE 36 2HG2 ILE 36 -6.503 6.569 -2.758 275 HG23 ILE 36 3HG2 ILE 36 -6.811 7.502 -1.293 276 HD11 ILE 36 3HD1 ILE 36 -5.121 4.820 0.389 277 HD12 ILE 36 1HD1 ILE 36 -6.071 6.303 0.529 278 HD13 ILE 36 2HD1 ILE 36 -5.170 5.964 -0.955 279 H ALA 37 H ALA 37 -8.543 7.416 1.613 280 HA ALA 37 HA ALA 37 -7.473 5.373 3.168 281 HB1 ALA 37 1HB ALA 37 -8.719 7.908 4.193 282 HB2 ALA 37 2HB ALA 37 -7.090 7.772 3.508 283 HB3 ALA 37 3HB ALA 37 -7.507 6.906 4.999 284 HA PRO 38 HA PRO 38 -11.791 4.637 5.222 285 HB2 PRO 38 1HB PRO 38 -13.942 5.574 3.789 286 HB3 PRO 38 2HB PRO 38 -13.278 6.369 5.221 287 HG2 PRO 38 1HG PRO 38 -12.810 6.966 2.333 288 HG3 PRO 38 2HG PRO 38 -13.054 8.087 3.687 289 HD2 PRO 38 1HD PRO 38 -10.612 7.599 2.706 290 HD3 PRO 38 2HD PRO 38 -10.879 7.847 4.442 291 H MET 39 H MET 39 -11.455 4.961 1.681 292 HA MET 39 HA MET 39 -13.047 2.680 1.106 293 HB2 MET 39 1HB MET 39 -10.865 4.007 -0.487 294 HB3 MET 39 2HB MET 39 -11.797 2.650 -1.096 295 HG2 MET 39 1HG MET 39 -12.923 5.311 -0.249 296 HG3 MET 39 2HG MET 39 -12.656 4.784 -1.911 297 HE1 MET 39 3HE MET 39 -16.573 4.750 -1.531 298 HE2 MET 39 1HE MET 39 -15.213 5.372 -2.466 299 HE3 MET 39 2HE MET 39 -15.441 5.884 -0.794 300 H ILE 40 H ILE 40 -9.430 2.864 1.181 301 HA ILE 40 HA ILE 40 -9.092 0.094 1.013 302 HB ILE 40 HB ILE 40 -7.305 2.297 1.810 303 HG12 ILE 40 1HG1 ILE 40 -5.712 0.408 0.802 304 HG13 ILE 40 2HG1 ILE 40 -7.249 -0.211 0.210 305 HG21 ILE 40 1HG2 ILE 40 -6.766 1.390 3.823 306 HG22 ILE 40 2HG2 ILE 40 -5.736 0.377 2.806 307 HG23 ILE 40 3HG2 ILE 40 -7.293 -0.227 3.365 308 HD11 ILE 40 3HD1 ILE 40 -7.688 1.984 -0.810 309 HD12 ILE 40 1HD1 ILE 40 -6.247 1.189 -1.446 310 HD13 ILE 40 2HD1 ILE 40 -6.083 2.504 -0.278 311 H GLU 41 H GLU 41 -9.809 2.137 3.799 312 HA GLU 41 HA GLU 41 -9.385 0.340 5.861 313 HB2 GLU 41 1HB GLU 41 -10.055 2.744 6.088 314 HB3 GLU 41 2HB GLU 41 -11.692 2.283 5.656 315 HG2 GLU 41 1HG GLU 41 -11.840 0.879 7.632 316 HG3 GLU 41 2HG GLU 41 -10.176 1.276 8.052 317 H LYS 42 H LYS 42 -12.310 0.784 3.854 318 HA LYS 42 HA LYS 42 -13.786 -1.299 5.023 319 HB2 LYS 42 1HB LYS 42 -14.972 0.252 3.679 320 HB3 LYS 42 2HB LYS 42 -13.878 0.037 2.322 321 HG2 LYS 42 1HG LYS 42 -16.109 -0.977 1.985 322 HG3 LYS 42 2HG LYS 42 -14.786 -2.132 1.854 323 HD2 LYS 42 1HD LYS 42 -16.618 -3.102 3.105 324 HD3 LYS 42 2HD LYS 42 -15.217 -2.868 4.153 325 HE2 LYS 42 1HE LYS 42 -16.213 -0.877 5.098 326 HE3 LYS 42 2HE LYS 42 -17.571 -0.987 3.979 327 HZ1 LYS 42 3HZ LYS 42 -18.074 -1.834 6.218 328 HZ2 LYS 42 1HZ LYS 42 -16.905 -3.038 6.018 329 HZ3 LYS 42 2HZ LYS 42 -18.269 -3.012 5.022 330 H PHE 43 H PHE 43 -11.653 -1.274 2.215 331 HA PHE 43 HA PHE 43 -12.020 -3.973 1.575 332 HB2 PHE 43 1HB PHE 43 -9.689 -2.197 0.873 333 HB3 PHE 43 2HB PHE 43 -10.115 -3.716 0.093 334 HD1 PHE 43 2HD PHE 43 -13.206 -2.606 0.647 335 HD2 PHE 43 1HD PHE 43 -9.783 -1.446 -1.608 336 HE1 PHE 43 2HE PHE 43 -14.651 -1.350 -0.898 337 HE2 PHE 43 1HE PHE 43 -11.226 -0.171 -3.136 338 HZ PHE 43 HZ PHE 43 -13.661 -0.128 -2.788 339 H SER 44 H SER 44 -10.273 -2.481 4.062 340 HA SER 44 HA SER 44 -8.434 -4.684 4.465 341 HB2 SER 44 1HB SER 44 -8.913 -2.381 6.380 342 HB3 SER 44 2HB SER 44 -7.496 -3.421 6.252 343 HG SER 44 HG SER 44 -8.297 -1.822 4.077 344 H GLU 45 H GLU 45 -11.607 -3.777 5.252 345 HA GLU 45 HA GLU 45 -11.763 -5.690 7.450 346 HB2 GLU 45 1HB GLU 45 -13.875 -4.007 6.090 347 HB3 GLU 45 2HB GLU 45 -14.202 -5.115 7.415 348 HG2 GLU 45 1HG GLU 45 -12.418 -2.694 7.516 349 HG3 GLU 45 2HG GLU 45 -14.024 -2.847 8.228 350 H GLN 46 H GLN 46 -11.977 -5.609 4.072 351 HA GLN 46 HA GLN 46 -13.062 -8.344 4.079 352 HB2 GLN 46 1HB GLN 46 -13.671 -7.558 1.579 353 HB3 GLN 46 2HB GLN 46 -14.782 -7.436 2.936 354 HG2 GLN 46 1HG GLN 46 -14.451 -5.153 3.159 355 HG3 GLN 46 2HG GLN 46 -12.937 -5.177 2.264 356 HE21 GLN 46 1HE2 GLN 46 -13.012 -5.258 0.007 357 HE22 GLN 46 2HE2 GLN 46 -14.452 -4.872 -0.873 358 H TYR 47 H TYR 47 -10.268 -7.497 4.193 359 HA TYR 47 HA TYR 47 -9.296 -8.670 1.674 360 HB2 TYR 47 1HB TYR 47 -7.117 -7.849 2.251 361 HB3 TYR 47 2HB TYR 47 -8.275 -6.550 2.477 362 HD1 TYR 47 1HD TYR 47 -9.105 -8.219 5.209 363 HD2 TYR 47 2HD TYR 47 -5.630 -6.334 3.662 364 HE1 TYR 47 1HE TYR 47 -8.255 -7.936 7.495 365 HE2 TYR 47 2HE TYR 47 -4.780 -6.045 5.935 366 HH TYR 47 HH TYR 47 -6.228 -7.596 8.660 367 HA PRO 48 HA PRO 48 -9.915 -12.192 4.645 368 HB2 PRO 48 1HB PRO 48 -9.428 -13.653 2.087 369 HB3 PRO 48 2HB PRO 48 -10.620 -13.966 3.356 370 HG2 PRO 48 1HG PRO 48 -11.353 -12.772 1.106 371 HG3 PRO 48 2HG PRO 48 -12.003 -12.229 2.665 372 HD2 PRO 48 1HD PRO 48 -9.934 -10.967 0.930 373 HD3 PRO 48 2HD PRO 48 -11.155 -10.208 1.968 374 H GLN 49 H GLN 49 -7.340 -12.307 2.110 375 HA GLN 49 HA GLN 49 -5.714 -13.682 4.150 376 HB2 GLN 49 1HB GLN 49 -4.473 -14.813 2.460 377 HB3 GLN 49 2HB GLN 49 -6.185 -15.072 2.175 378 HG2 GLN 49 1HG GLN 49 -6.189 -13.564 0.344 379 HG3 GLN 49 2HG GLN 49 -4.561 -13.005 0.723 380 HE21 GLN 49 1HE2 GLN 49 -2.804 -14.300 0.229 381 HE22 GLN 49 2HE2 GLN 49 -2.929 -15.658 -0.839 382 H ALA 50 H ALA 50 -5.953 -10.659 3.276 383 HA ALA 50 HA ALA 50 -3.148 -10.279 2.526 384 HB1 ALA 50 1HB ALA 50 -5.028 -9.349 1.084 385 HB2 ALA 50 2HB ALA 50 -3.728 -8.246 1.527 386 HB3 ALA 50 3HB ALA 50 -5.270 -8.171 2.373 387 H ASP 51 H ASP 51 -2.100 -8.351 3.367 388 HA ASP 51 HA ASP 51 -2.966 -7.683 6.100 389 HB2 ASP 51 1HB ASP 51 -0.556 -8.922 5.320 390 HB3 ASP 51 2HB ASP 51 -0.138 -7.264 5.745 391 H PHE 52 H PHE 52 -3.348 -5.631 6.436 392 HA PHE 52 HA PHE 52 -2.884 -3.777 4.269 393 HB2 PHE 52 1HB PHE 52 -4.462 -2.298 5.455 394 HB3 PHE 52 2HB PHE 52 -5.131 -3.882 5.107 395 HD1 PHE 52 1HD PHE 52 -3.266 -4.809 7.766 396 HD2 PHE 52 2HD PHE 52 -6.488 -2.182 6.912 397 HE1 PHE 52 1HE PHE 52 -4.056 -5.024 10.083 398 HE2 PHE 52 2HE PHE 52 -7.298 -2.401 9.198 399 HZ PHE 52 HZ PHE 52 -6.075 -3.816 10.811 400 H TYR 53 H TYR 53 -1.282 -2.390 4.209 401 HA TYR 53 HA TYR 53 -0.709 -0.895 6.659 402 HB2 TYR 53 1HB TYR 53 1.536 -1.659 4.789 403 HB3 TYR 53 2HB TYR 53 1.650 -0.967 6.407 404 HD1 TYR 53 2HD TYR 53 1.361 -2.395 8.387 405 HD2 TYR 53 1HD TYR 53 1.300 -4.023 4.465 406 HE1 TYR 53 2HE TYR 53 1.736 -4.636 9.321 407 HE2 TYR 53 1HE TYR 53 1.675 -6.272 5.389 408 HH TYR 53 HH TYR 53 1.154 -7.106 8.443 409 H LYS 54 H LYS 54 -0.606 1.260 6.260 410 HA LYS 54 HA LYS 54 0.063 2.135 3.535 411 HB2 LYS 54 1HB LYS 54 -2.214 3.230 5.197 412 HB3 LYS 54 2HB LYS 54 -1.627 3.968 3.711 413 HG2 LYS 54 1HG LYS 54 -2.284 2.034 2.433 414 HG3 LYS 54 2HG LYS 54 -2.717 1.165 3.893 415 HD2 LYS 54 1HD LYS 54 -4.175 3.415 2.529 416 HD3 LYS 54 2HD LYS 54 -4.761 1.858 3.080 417 HE2 LYS 54 1HE LYS 54 -4.584 2.524 5.392 418 HE3 LYS 54 2HE LYS 54 -3.894 4.076 4.915 419 HZ1 LYS 54 3HZ LYS 54 -6.626 3.129 4.256 420 HZ2 LYS 54 1HZ LYS 54 -5.957 4.615 3.796 421 HZ3 LYS 54 2HZ LYS 54 -6.234 4.276 5.433 422 H LEU 55 H LEU 55 1.698 3.565 3.521 423 HA LEU 55 HA LEU 55 2.777 4.128 6.199 424 HB2 LEU 55 1HB LEU 55 4.228 4.579 3.636 425 HB3 LEU 55 2HB LEU 55 4.879 4.360 5.247 426 HG LEU 55 HG LEU 55 3.845 2.330 3.353 427 HD11 LEU 55 1HD1 LEU 55 6.204 2.890 3.440 428 HD12 LEU 55 2HD1 LEU 55 5.920 1.237 3.987 429 HD13 LEU 55 3HD1 LEU 55 6.218 2.520 5.163 430 HD21 LEU 55 3HD2 LEU 55 4.214 1.765 6.276 431 HD22 LEU 55 1HD2 LEU 55 3.634 0.667 5.032 432 HD23 LEU 55 2HD2 LEU 55 2.636 2.029 5.542 433 H ASP 56 H ASP 56 3.845 6.193 6.629 434 HA ASP 56 HA ASP 56 2.588 8.428 5.203 435 HB2 ASP 56 1HB ASP 56 3.584 9.794 7.072 436 HB3 ASP 56 2HB ASP 56 2.353 8.645 7.568 437 H VAL 57 H VAL 57 3.654 9.060 3.489 438 HA VAL 57 HA VAL 57 6.279 8.348 2.843 439 HB VAL 57 HB VAL 57 4.152 9.335 1.497 440 HG11 VAL 57 1HG1 VAL 57 6.147 11.589 1.431 441 HG12 VAL 57 2HG1 VAL 57 4.614 11.636 2.301 442 HG13 VAL 57 3HG1 VAL 57 4.627 11.483 0.540 443 HG21 VAL 57 3HG2 VAL 57 7.023 9.270 0.623 444 HG22 VAL 57 1HG2 VAL 57 5.645 9.408 -0.471 445 HG23 VAL 57 2HG2 VAL 57 5.832 7.969 0.532 446 H ASP 58 H ASP 58 5.142 10.769 4.896 447 HA ASP 58 HA ASP 58 7.007 12.831 4.503 448 HB2 ASP 58 1HB ASP 58 4.939 13.134 5.746 449 HB3 ASP 58 2HB ASP 58 5.480 11.996 6.977 450 H GLU 59 H GLU 59 7.017 9.957 6.554 451 HA GLU 59 HA GLU 59 9.830 10.441 7.208 452 HB2 GLU 59 1HB GLU 59 7.751 8.568 8.302 453 HB3 GLU 59 2HB GLU 59 9.462 8.342 8.642 454 HG2 GLU 59 1HG GLU 59 7.943 10.868 9.228 455 HG3 GLU 59 2HG GLU 59 8.227 9.578 10.400 456 H LEU 60 H LEU 60 7.719 8.321 5.418 457 HA LEU 60 HA LEU 60 9.930 6.556 4.742 458 HB2 LEU 60 1HB LEU 60 6.980 6.439 4.130 459 HB3 LEU 60 2HB LEU 60 8.144 5.334 3.416 460 HG LEU 60 HG LEU 60 7.131 4.212 5.248 461 HD11 LEU 60 1HD1 LEU 60 9.012 3.667 6.632 462 HD12 LEU 60 2HD1 LEU 60 9.809 5.181 6.217 463 HD13 LEU 60 3HD1 LEU 60 9.583 3.942 4.984 464 HD21 LEU 60 3HD2 LEU 60 7.859 6.584 6.953 465 HD22 LEU 60 1HD2 LEU 60 7.137 5.083 7.530 466 HD23 LEU 60 2HD2 LEU 60 6.235 6.131 6.435 467 H GLY 61 H GLY 61 10.460 9.023 3.819 468 HA2 GLY 61 1HA GLY 61 9.550 9.360 1.110 469 HA3 GLY 61 2HA GLY 61 10.798 10.299 1.917 470 H ASP 62 H ASP 62 12.498 8.218 2.679 471 HA ASP 62 HA ASP 62 14.011 7.940 0.316 472 HB2 ASP 62 1HB ASP 62 15.098 8.026 2.488 473 HB3 ASP 62 2HB ASP 62 14.300 6.535 2.975 474 H VAL 63 H VAL 63 12.046 5.618 2.155 475 HA VAL 63 HA VAL 63 12.578 3.413 0.481 476 HB VAL 63 HB VAL 63 11.580 3.029 2.662 477 HG11 VAL 63 1HG1 VAL 63 10.252 5.011 2.890 478 HG12 VAL 63 2HG1 VAL 63 9.264 3.568 3.127 479 HG13 VAL 63 3HG1 VAL 63 9.174 4.461 1.606 480 HG21 VAL 63 3HG2 VAL 63 9.743 1.531 2.024 481 HG22 VAL 63 1HG2 VAL 63 11.145 1.362 0.964 482 HG23 VAL 63 2HG2 VAL 63 9.732 2.270 0.422 483 H ALA 64 H ALA 64 10.097 5.909 0.405 484 HA ALA 64 HA ALA 64 8.623 4.997 -1.771 485 HB1 ALA 64 1HB ALA 64 9.216 7.848 -0.988 486 HB2 ALA 64 2HB ALA 64 7.913 6.846 -0.351 487 HB3 ALA 64 3HB ALA 64 7.911 7.318 -2.050 488 H GLN 65 H GLN 65 11.653 6.799 -1.655 489 HA GLN 65 HA GLN 65 11.721 7.374 -4.447 490 HB2 GLN 65 1HB GLN 65 13.923 7.349 -2.376 491 HB3 GLN 65 2HB GLN 65 14.095 7.967 -4.016 492 HG2 GLN 65 1HG GLN 65 12.219 9.023 -1.915 493 HG3 GLN 65 2HG GLN 65 13.733 9.763 -2.421 494 HE21 GLN 65 1HE2 GLN 65 11.025 10.825 -2.483 495 HE22 GLN 65 2HE2 GLN 65 10.704 11.238 -4.131 496 H LYS 66 H LYS 66 12.924 4.794 -2.407 497 HA LYS 66 HA LYS 66 14.534 3.453 -4.231 498 HB2 LYS 66 1HB LYS 66 12.820 2.389 -1.996 499 HB3 LYS 66 2HB LYS 66 14.074 1.475 -2.812 500 HG2 LYS 66 1HG LYS 66 15.608 3.433 -2.057 501 HG3 LYS 66 2HG LYS 66 14.306 3.734 -0.904 502 HD2 LYS 66 1HD LYS 66 15.794 1.131 -1.232 503 HD3 LYS 66 2HD LYS 66 16.062 2.310 0.052 504 HE2 LYS 66 1HE LYS 66 13.884 1.938 0.947 505 HE3 LYS 66 2HE LYS 66 13.416 0.966 -0.446 506 HZ1 LYS 66 3HZ LYS 66 15.209 -0.613 0.234 507 HZ2 LYS 66 1HZ LYS 66 13.914 -0.517 1.319 508 HZ3 LYS 66 2HZ LYS 66 15.375 0.266 1.667 509 H ASN 67 H ASN 67 11.089 3.389 -3.643 510 HA ASN 67 HA ASN 67 10.707 1.327 -5.672 511 HB2 ASN 67 1HB ASN 67 8.831 2.580 -3.662 512 HB3 ASN 67 2HB ASN 67 8.313 1.414 -4.876 513 HD21 ASN 67 1HD2 ASN 67 10.272 1.901 -2.021 514 HD22 ASN 67 2HD2 ASN 67 10.446 0.228 -1.614 515 H GLU 68 H GLU 68 11.337 4.353 -5.952 516 HA GLU 68 HA GLU 68 11.024 5.935 -7.546 517 HB2 GLU 68 1HB GLU 68 9.693 3.660 -9.022 518 HB3 GLU 68 2HB GLU 68 10.238 5.167 -9.746 519 HG2 GLU 68 1HG GLU 68 12.535 4.636 -9.180 520 HG3 GLU 68 2HG GLU 68 12.010 3.154 -8.383 521 H VAL 69 H VAL 69 9.153 5.980 -5.516 522 HA VAL 69 HA VAL 69 6.524 6.300 -6.706 523 HB VAL 69 HB VAL 69 7.466 6.642 -3.858 524 HG11 VAL 69 1HG1 VAL 69 5.096 6.653 -3.257 525 HG12 VAL 69 2HG1 VAL 69 4.663 6.623 -4.965 526 HG13 VAL 69 3HG1 VAL 69 5.505 8.020 -4.293 527 HG21 VAL 69 3HG2 VAL 69 6.304 4.516 -3.478 528 HG22 VAL 69 1HG2 VAL 69 7.617 4.349 -4.644 529 HG23 VAL 69 2HG2 VAL 69 5.946 4.414 -5.201 530 H SER 70 H SER 70 6.074 8.119 -7.711 531 HA SER 70 HA SER 70 7.089 10.649 -6.608 532 HB2 SER 70 1HB SER 70 6.739 11.518 -8.962 533 HB3 SER 70 2HB SER 70 8.023 10.322 -8.783 534 HG SER 70 HG SER 70 6.079 10.201 -10.469 535 H ALA 71 H ALA 71 4.357 8.769 -7.076 536 HA ALA 71 HA ALA 71 2.583 11.114 -6.986 537 HB1 ALA 71 1HB ALA 71 1.947 8.320 -7.934 538 HB2 ALA 71 2HB ALA 71 2.231 9.722 -8.966 539 HB3 ALA 71 3HB ALA 71 0.828 9.684 -7.901 540 H MET 72 H MET 72 0.551 10.747 -5.735 541 HA MET 72 HA MET 72 0.775 8.760 -3.623 542 HB2 MET 72 1HB MET 72 0.295 10.506 -1.881 543 HB3 MET 72 2HB MET 72 1.900 10.594 -2.589 544 HG2 MET 72 1HG MET 72 1.207 12.807 -2.464 545 HG3 MET 72 2HG MET 72 0.931 12.366 -4.145 546 HE1 MET 72 3HE MET 72 -2.074 14.683 -3.875 547 HE2 MET 72 1HE MET 72 -0.754 14.082 -4.876 548 HE3 MET 72 2HE MET 72 -0.402 14.936 -3.374 549 HA PRO 73 HA PRO 73 -0.201 7.933 -2.099 550 HB2 PRO 73 1HB PRO 73 -1.963 5.920 -1.715 551 HB3 PRO 73 2HB PRO 73 -2.038 7.429 -0.796 552 HG2 PRO 73 1HG PRO 73 -3.637 6.586 -3.182 553 HG3 PRO 73 2HG PRO 73 -4.180 7.392 -1.700 554 HD2 PRO 73 1HD PRO 73 -3.734 8.732 -4.012 555 HD3 PRO 73 2HD PRO 73 -3.489 9.459 -2.414 556 H THR 74 H THR 74 0.667 5.756 -2.381 557 HA THR 74 HA THR 74 0.303 4.682 -5.081 558 HB THR 74 HB THR 74 2.915 5.093 -3.620 559 HG1 THR 74 1HG THR 74 2.576 6.919 -4.735 560 HG21 THR 74 3HG2 THR 74 2.966 2.916 -4.698 561 HG22 THR 74 1HG2 THR 74 3.973 4.050 -5.595 562 HG23 THR 74 2HG2 THR 74 2.375 3.620 -6.202 563 H LEU 75 H LEU 75 -0.323 2.623 -5.027 564 HA LEU 75 HA LEU 75 -0.048 1.183 -2.484 565 HB2 LEU 75 1HB LEU 75 -2.234 1.518 -4.434 566 HB3 LEU 75 2HB LEU 75 -2.048 -0.077 -3.733 567 HG LEU 75 HG LEU 75 -2.095 2.279 -1.904 568 HD11 LEU 75 1HD1 LEU 75 -4.579 1.044 -3.069 569 HD12 LEU 75 2HD1 LEU 75 -3.975 2.659 -3.437 570 HD13 LEU 75 3HD1 LEU 75 -4.505 2.267 -1.801 571 HD21 LEU 75 3HD2 LEU 75 -3.215 0.656 -0.439 572 HD22 LEU 75 1HD2 LEU 75 -1.646 0.076 -1.001 573 HD23 LEU 75 2HD2 LEU 75 -3.128 -0.544 -1.727 574 H LEU 76 H LEU 76 1.499 -0.242 -2.622 575 HA LEU 76 HA LEU 76 1.657 -1.901 -5.050 576 HB2 LEU 76 1HB LEU 76 4.026 -1.249 -3.300 577 HB3 LEU 76 2HB LEU 76 4.032 -1.940 -4.908 578 HG LEU 76 HG LEU 76 3.334 0.913 -4.220 579 HD11 LEU 76 1HD1 LEU 76 5.749 -0.268 -5.581 580 HD12 LEU 76 2HD1 LEU 76 5.704 0.447 -3.969 581 HD13 LEU 76 3HD1 LEU 76 5.414 1.452 -5.388 582 HD21 LEU 76 3HD2 LEU 76 2.060 0.324 -6.117 583 HD22 LEU 76 1HD2 LEU 76 3.400 -0.579 -6.820 584 HD23 LEU 76 2HD2 LEU 76 3.479 1.179 -6.725 585 H LEU 77 H LEU 77 0.965 -3.870 -4.525 586 HA LEU 77 HA LEU 77 1.452 -4.778 -1.794 587 HB2 LEU 77 1HB LEU 77 0.070 -6.726 -3.352 588 HB3 LEU 77 2HB LEU 77 -0.477 -5.845 -1.942 589 HG LEU 77 HG LEU 77 -0.714 -4.859 -4.790 590 HD11 LEU 77 1HD1 LEU 77 -2.686 -6.127 -2.888 591 HD12 LEU 77 2HD1 LEU 77 -2.107 -6.783 -4.430 592 HD13 LEU 77 3HD1 LEU 77 -3.123 -5.342 -4.409 593 HD21 LEU 77 3HD2 LEU 77 -2.066 -3.781 -2.323 594 HD22 LEU 77 1HD2 LEU 77 -2.080 -3.106 -3.947 595 HD23 LEU 77 2HD2 LEU 77 -0.594 -3.088 -2.996 596 H PHE 78 H PHE 78 2.866 -6.264 -1.286 597 HA PHE 78 HA PHE 78 4.421 -7.401 -3.494 598 HB2 PHE 78 1HB PHE 78 5.209 -6.429 -0.775 599 HB3 PHE 78 2HB PHE 78 6.236 -7.537 -1.667 600 HD1 PHE 78 2HD PHE 78 4.776 -4.165 -1.619 601 HD2 PHE 78 1HD PHE 78 7.526 -6.787 -3.536 602 HE1 PHE 78 2HE PHE 78 5.762 -2.254 -2.811 603 HE2 PHE 78 1HE PHE 78 8.514 -4.879 -4.733 604 HZ PHE 78 HZ PHE 78 7.629 -2.610 -4.372 605 H LYS 79 H LYS 79 5.296 -9.491 -3.266 606 HA LYS 79 HA LYS 79 4.146 -11.130 -1.128 607 HB2 LYS 79 1HB LYS 79 2.734 -11.417 -3.063 608 HB3 LYS 79 2HB LYS 79 4.118 -11.701 -4.096 609 HG2 LYS 79 1HG LYS 79 4.554 -13.786 -2.881 610 HG3 LYS 79 2HG LYS 79 3.164 -13.468 -1.842 611 HD2 LYS 79 1HD LYS 79 1.724 -13.476 -3.873 612 HD3 LYS 79 2HD LYS 79 3.134 -13.959 -4.817 613 HE2 LYS 79 1HE LYS 79 1.884 -15.494 -2.541 614 HE3 LYS 79 2HE LYS 79 1.792 -15.902 -4.253 615 HZ1 LYS 79 3HZ LYS 79 4.198 -16.206 -4.260 616 HZ2 LYS 79 1HZ LYS 79 3.452 -17.232 -3.142 617 HZ3 LYS 79 2HZ LYS 79 4.264 -15.850 -2.605 618 H ASN 80 H ASN 80 5.768 -12.027 -0.093 619 HA ASN 80 HA ASN 80 7.890 -12.650 0.455 620 HB2 ASN 80 1HB ASN 80 8.637 -14.526 -1.390 621 HB3 ASN 80 2HB ASN 80 7.603 -14.825 -0.002 622 HD21 ASN 80 1HD2 ASN 80 7.660 -14.189 -3.437 623 HD22 ASN 80 2HD2 ASN 80 6.066 -14.773 -3.770 624 H GLY 81 H GLY 81 8.088 -10.272 -0.847 625 HA2 GLY 81 1HA GLY 81 9.742 -8.911 -1.669 626 HA3 GLY 81 2HA GLY 81 10.826 -10.287 -1.569 627 H LYS 82 H LYS 82 8.085 -10.934 -3.467 628 HA LYS 82 HA LYS 82 9.707 -10.564 -5.887 629 HB2 LYS 82 1HB LYS 82 7.482 -12.538 -5.347 630 HB3 LYS 82 2HB LYS 82 8.432 -12.432 -6.811 631 HG2 LYS 82 1HG LYS 82 9.459 -13.172 -4.087 632 HG3 LYS 82 2HG LYS 82 9.180 -14.277 -5.434 633 HD2 LYS 82 1HD LYS 82 10.888 -13.127 -6.742 634 HD3 LYS 82 2HD LYS 82 11.147 -11.987 -5.420 635 HE2 LYS 82 1HE LYS 82 11.608 -14.965 -5.299 636 HE3 LYS 82 2HE LYS 82 12.861 -13.736 -5.457 637 HZ1 LYS 82 3HZ LYS 82 12.138 -12.836 -3.302 638 HZ2 LYS 82 1HZ LYS 82 12.690 -14.429 -3.183 639 HZ3 LYS 82 2HZ LYS 82 11.031 -14.105 -3.148 640 H GLU 83 H GLU 83 7.296 -9.214 -4.231 641 HA GLU 83 HA GLU 83 5.656 -7.735 -4.671 642 HB2 GLU 83 1HB GLU 83 7.269 -6.930 -6.437 643 HB3 GLU 83 2HB GLU 83 6.425 -7.953 -7.585 644 HG2 GLU 83 1HG GLU 83 4.354 -6.661 -7.124 645 HG3 GLU 83 2HG GLU 83 5.307 -5.582 -6.106 646 H VAL 84 H VAL 84 3.504 -7.543 -5.918 647 HA VAL 84 HA VAL 84 2.708 -10.006 -7.226 648 HB VAL 84 HB VAL 84 2.108 -9.944 -4.682 649 HG11 VAL 84 1HG1 VAL 84 1.002 -7.849 -4.558 650 HG12 VAL 84 2HG1 VAL 84 -0.211 -9.112 -4.326 651 HG13 VAL 84 3HG1 VAL 84 -0.085 -8.282 -5.875 652 HG21 VAL 84 3HG2 VAL 84 1.499 -11.718 -6.202 653 HG22 VAL 84 1HG2 VAL 84 0.144 -10.764 -6.799 654 HG23 VAL 84 2HG2 VAL 84 0.151 -11.335 -5.131 655 H ALA 85 H ALA 85 2.127 -6.649 -6.449 656 HA ALA 85 HA ALA 85 0.999 -6.201 -9.074 657 HB1 ALA 85 1HB ALA 85 -1.005 -6.793 -7.807 658 HB2 ALA 85 2HB ALA 85 -1.020 -5.089 -8.275 659 HB3 ALA 85 3HB ALA 85 -0.619 -5.547 -6.618 660 H LYS 86 H LYS 86 0.725 -3.919 -9.539 661 HA LYS 86 HA LYS 86 1.999 -2.124 -7.643 662 HB2 LYS 86 1HB LYS 86 3.795 -2.870 -9.171 663 HB3 LYS 86 2HB LYS 86 2.842 -2.331 -10.543 664 HG2 LYS 86 1HG LYS 86 2.901 -0.022 -9.443 665 HG3 LYS 86 2HG LYS 86 4.192 -0.688 -8.451 666 HD2 LYS 86 1HD LYS 86 5.404 -1.292 -10.537 667 HD3 LYS 86 2HD LYS 86 4.159 -0.432 -11.446 668 HE2 LYS 86 1HE LYS 86 6.022 1.044 -11.143 669 HE3 LYS 86 2HE LYS 86 4.695 1.617 -10.127 670 HZ1 LYS 86 3HZ LYS 86 5.752 0.564 -8.227 671 HZ2 LYS 86 1HZ LYS 86 6.804 1.667 -8.955 672 HZ3 LYS 86 2HZ LYS 86 7.016 0.008 -9.196 673 H VAL 87 H VAL 87 0.401 -0.685 -7.289 674 HA VAL 87 HA VAL 87 -0.680 0.663 -9.682 675 HB VAL 87 HB VAL 87 -2.139 0.597 -7.029 676 HG11 VAL 87 1HG1 VAL 87 -4.035 1.290 -8.435 677 HG12 VAL 87 2HG1 VAL 87 -2.996 1.242 -9.859 678 HG13 VAL 87 3HG1 VAL 87 -2.676 2.410 -8.572 679 HG21 VAL 87 3HG2 VAL 87 -2.698 -1.213 -9.388 680 HG22 VAL 87 1HG2 VAL 87 -3.605 -1.132 -7.875 681 HG23 VAL 87 2HG2 VAL 87 -1.941 -1.726 -7.881 682 H VAL 88 H VAL 88 -0.572 2.866 -9.677 683 HA VAL 88 HA VAL 88 0.659 4.138 -7.377 684 HB VAL 88 HB VAL 88 2.555 3.147 -8.381 685 HG11 VAL 88 1HG1 VAL 88 1.715 4.313 -11.027 686 HG12 VAL 88 2HG1 VAL 88 1.517 2.625 -10.538 687 HG13 VAL 88 3HG1 VAL 88 3.138 3.314 -10.716 688 HG21 VAL 88 3HG2 VAL 88 2.489 6.014 -9.309 689 HG22 VAL 88 1HG2 VAL 88 3.928 5.035 -9.016 690 HG23 VAL 88 2HG2 VAL 88 2.864 5.470 -7.671 691 H GLY 89 H GLY 89 -1.364 5.290 -7.490 692 HA2 GLY 89 1HA GLY 89 -1.100 7.879 -8.194 693 HA3 GLY 89 2HA GLY 89 -1.713 7.160 -9.674 694 H ALA 90 H ALA 90 -2.436 7.057 -6.179 695 HA ALA 90 HA ALA 90 -4.379 7.253 -5.013 696 HB1 ALA 90 1HB ALA 90 -5.877 9.021 -5.680 697 HB2 ALA 90 2HB ALA 90 -5.236 8.993 -7.321 698 HB3 ALA 90 3HB ALA 90 -4.216 9.523 -5.982 699 H ASN 91 H ASN 91 -5.005 5.065 -5.192 700 HA ASN 91 HA ASN 91 -7.063 4.543 -7.227 701 HB2 ASN 91 1HB ASN 91 -6.241 2.168 -7.227 702 HB3 ASN 91 2HB ASN 91 -5.138 3.340 -7.935 703 HD21 ASN 91 1HD2 ASN 91 -4.927 0.632 -6.510 704 HD22 ASN 91 2HD2 ASN 91 -3.642 0.875 -5.384 705 HA PRO 92 HA PRO 92 -9.146 3.185 -3.348 706 HB2 PRO 92 1HB PRO 92 -11.463 4.536 -4.517 707 HB3 PRO 92 2HB PRO 92 -10.738 4.751 -2.921 708 HG2 PRO 92 1HG PRO 92 -10.594 6.643 -4.844 709 HG3 PRO 92 2HG PRO 92 -9.318 6.399 -3.638 710 HD2 PRO 92 1HD PRO 92 -9.423 5.489 -6.497 711 HD3 PRO 92 2HD PRO 92 -8.061 6.180 -5.588 712 H ALA 93 H ALA 93 -10.189 3.445 -6.729 713 HA ALA 93 HA ALA 93 -11.859 1.080 -6.480 714 HB1 ALA 93 1HB ALA 93 -12.618 2.992 -7.831 715 HB2 ALA 93 2HB ALA 93 -12.508 1.505 -8.771 716 HB3 ALA 93 3HB ALA 93 -11.258 2.739 -8.924 717 H ALA 94 H ALA 94 -8.864 2.069 -8.063 718 HA ALA 94 HA ALA 94 -8.497 -0.433 -9.401 719 HB1 ALA 94 1HB ALA 94 -7.585 1.644 -10.323 720 HB2 ALA 94 2HB ALA 94 -6.345 0.412 -10.091 721 HB3 ALA 94 3HB ALA 94 -6.477 1.754 -8.960 722 H ILE 95 H ILE 95 -7.764 0.708 -6.204 723 HA ILE 95 HA ILE 95 -5.733 -1.133 -5.599 724 HB ILE 95 HB ILE 95 -6.609 0.614 -3.967 725 HG12 ILE 95 1HG1 ILE 95 -5.882 -0.620 -2.078 726 HG13 ILE 95 2HG1 ILE 95 -6.553 -2.127 -2.692 727 HG21 ILE 95 1HG2 ILE 95 -8.432 0.014 -2.502 728 HG22 ILE 95 2HG2 ILE 95 -8.677 -1.493 -3.396 729 HG23 ILE 95 3HG2 ILE 95 -8.989 0.064 -4.177 730 HD11 ILE 95 3HD1 ILE 95 -4.170 -0.701 -3.865 731 HD12 ILE 95 1HD1 ILE 95 -4.798 -2.280 -4.332 732 HD13 ILE 95 2HD1 ILE 95 -4.092 -2.050 -2.734 733 H LYS 96 H LYS 96 -9.200 -1.400 -5.838 734 HA LYS 96 HA LYS 96 -9.480 -3.988 -4.840 735 HB2 LYS 96 1HB LYS 96 -11.097 -2.388 -6.790 736 HB3 LYS 96 2HB LYS 96 -11.503 -4.068 -6.479 737 HG2 LYS 96 1HG LYS 96 -11.357 -1.880 -4.424 738 HG3 LYS 96 2HG LYS 96 -12.829 -2.570 -5.109 739 HD2 LYS 96 1HD LYS 96 -10.757 -4.071 -3.496 740 HD3 LYS 96 2HD LYS 96 -12.325 -3.513 -2.898 741 HE2 LYS 96 1HE LYS 96 -13.404 -4.910 -4.671 742 HE3 LYS 96 2HE LYS 96 -11.812 -5.569 -5.042 743 HZ1 LYS 96 3HZ LYS 96 -13.291 -5.814 -2.484 744 HZ2 LYS 96 1HZ LYS 96 -11.689 -6.310 -2.697 745 HZ3 LYS 96 2HZ LYS 96 -12.928 -7.052 -3.571 746 H GLN 97 H GLN 97 -8.555 -2.837 -8.022 747 HA GLN 97 HA GLN 97 -8.489 -5.217 -9.450 748 HB2 GLN 97 1HB GLN 97 -8.011 -2.959 -10.381 749 HB3 GLN 97 2HB GLN 97 -6.488 -2.931 -9.519 750 HG2 GLN 97 1HG GLN 97 -7.188 -4.910 -11.684 751 HG3 GLN 97 2HG GLN 97 -6.294 -3.417 -11.944 752 HE21 GLN 97 1HE2 GLN 97 -4.215 -3.206 -10.902 753 HE22 GLN 97 2HE2 GLN 97 -3.282 -4.620 -10.530 754 H ALA 98 H ALA 98 -5.820 -3.735 -7.596 755 HA ALA 98 HA ALA 98 -4.205 -6.077 -7.791 756 HB1 ALA 98 1HB ALA 98 -2.639 -4.880 -6.322 757 HB2 ALA 98 2HB ALA 98 -3.887 -3.676 -5.985 758 HB3 ALA 98 3HB ALA 98 -3.230 -3.831 -7.612 759 H ILE 99 H ILE 99 -6.311 -4.804 -5.397 760 HA ILE 99 HA ILE 99 -5.374 -6.335 -3.222 761 HB ILE 99 HB ILE 99 -6.971 -4.128 -3.484 762 HG12 ILE 99 1HG1 ILE 99 -5.499 -4.827 -1.596 763 HG13 ILE 99 2HG1 ILE 99 -7.025 -4.104 -1.085 764 HG21 ILE 99 1HG2 ILE 99 -9.112 -4.437 -2.662 765 HG22 ILE 99 2HG2 ILE 99 -8.808 -6.133 -2.267 766 HG23 ILE 99 3HG2 ILE 99 -8.927 -5.629 -3.953 767 HD11 ILE 99 3HD1 ILE 99 -7.913 -6.179 -0.469 768 HD12 ILE 99 1HD1 ILE 99 -6.253 -6.205 0.135 769 HD13 ILE 99 2HD1 ILE 99 -6.679 -7.067 -1.361 770 H ALA 100 H ALA 100 -8.050 -6.762 -5.457 771 HA ALA 100 HA ALA 100 -8.961 -9.087 -3.992 772 HB1 ALA 100 1HB ALA 100 -10.094 -7.860 -6.503 773 HB2 ALA 100 2HB ALA 100 -10.626 -7.515 -4.857 774 HB3 ALA 100 3HB ALA 100 -10.842 -9.129 -5.535 775 H ALA 101 H ALA 101 -7.590 -8.307 -7.156 776 HA ALA 101 HA ALA 101 -7.865 -10.923 -8.211 777 HB1 ALA 101 1HB ALA 101 -6.028 -8.712 -9.110 778 HB2 ALA 101 2HB ALA 101 -7.691 -8.952 -9.644 779 HB3 ALA 101 3HB ALA 101 -6.457 -10.150 -10.035 780 H ASN 102 H ASN 102 -5.287 -9.287 -6.430 781 HA ASN 102 HA ASN 102 -3.576 -11.631 -6.844 782 HB2 ASN 102 1HB ASN 102 -2.997 -9.058 -5.371 783 HB3 ASN 102 2HB ASN 102 -1.845 -10.366 -5.617 784 HD21 ASN 102 1HD2 ASN 102 -3.368 -7.650 -6.941 785 HD22 ASN 102 2HD2 ASN 102 -2.579 -7.655 -8.487 786 H ALA 103 H ALA 103 -4.465 -9.726 -3.962 787 HA ALA 103 HA ALA 103 -4.059 -11.834 -2.138 788 HB1 ALA 103 1HB ALA 103 -6.056 -9.697 -1.560 789 HB2 ALA 103 2HB ALA 103 -4.366 -9.262 -1.760 790 HB3 ALA 103 3HB ALA 103 -4.835 -10.414 -0.508 Start of MODEL 18 1 H1 MET 1 1H MET 1 -8.288 -2.638 8.462 2 H2 MET 1 2H MET 1 -9.195 -2.745 9.887 3 H3 MET 1 3H MET 1 -7.831 -3.718 9.683 4 HA MET 1 HA MET 1 -7.830 -0.769 9.864 5 HB2 MET 1 1HB MET 1 -8.359 -1.880 12.007 6 HB3 MET 1 2HB MET 1 -6.900 -2.848 11.858 7 HG2 MET 1 1HG MET 1 -5.529 -0.856 11.998 8 HG3 MET 1 2HG MET 1 -6.973 0.150 12.071 9 HE1 MET 1 3HE MET 1 -8.492 -0.818 15.540 10 HE2 MET 1 1HE MET 1 -8.885 -1.552 13.985 11 HE3 MET 1 2HE MET 1 -8.653 0.192 14.102 12 H VAL 2 H VAL 2 -6.305 -0.092 8.501 13 HA VAL 2 HA VAL 2 -4.034 -1.785 7.905 14 HB VAL 2 HB VAL 2 -4.130 -0.761 5.940 15 HG11 VAL 2 1HG1 VAL 2 -5.875 1.392 7.110 16 HG12 VAL 2 2HG1 VAL 2 -6.439 -0.146 6.453 17 HG13 VAL 2 3HG1 VAL 2 -5.653 1.025 5.396 18 HG21 VAL 2 3HG2 VAL 2 -3.305 1.703 7.458 19 HG22 VAL 2 1HG2 VAL 2 -3.284 1.559 5.703 20 HG23 VAL 2 2HG2 VAL 2 -2.253 0.522 6.679 21 H THR 3 H THR 3 -1.943 -1.407 8.365 22 HA THR 3 HA THR 3 -1.424 0.340 10.653 23 HB THR 3 HB THR 3 -0.417 -2.248 9.697 24 HG1 THR 3 1HG THR 3 -0.539 -0.938 12.220 25 HG21 THR 3 3HG2 THR 3 1.573 -0.822 9.267 26 HG22 THR 3 1HG2 THR 3 1.839 -2.039 10.527 27 HG23 THR 3 2HG2 THR 3 1.558 -0.357 10.977 28 H GLN 4 H GLN 4 0.207 1.833 10.665 29 HA GLN 4 HA GLN 4 1.452 2.443 8.082 30 HB2 GLN 4 1HB GLN 4 2.127 4.593 9.375 31 HB3 GLN 4 2HB GLN 4 0.466 4.417 8.836 32 HG2 GLN 4 1HG GLN 4 0.182 5.185 10.977 33 HG3 GLN 4 2HG GLN 4 0.062 3.440 11.205 34 HE21 GLN 4 1HE2 GLN 4 3.088 5.163 10.671 35 HE22 GLN 4 2HE2 GLN 4 3.728 4.893 12.250 36 H PHE 5 H PHE 5 3.545 1.919 7.785 37 HA PHE 5 HA PHE 5 5.057 0.864 10.002 38 HB2 PHE 5 1HB PHE 5 5.782 1.280 7.109 39 HB3 PHE 5 2HB PHE 5 6.914 0.667 8.298 40 HD1 PHE 5 1HD PHE 5 4.984 -1.113 9.816 41 HD2 PHE 5 2HD PHE 5 5.671 -0.535 5.660 42 HE1 PHE 5 1HE PHE 5 4.238 -3.412 9.371 43 HE2 PHE 5 2HE PHE 5 4.927 -2.828 5.201 44 HZ PHE 5 HZ PHE 5 4.208 -4.272 7.066 45 H LYS 6 H LYS 6 7.167 1.660 10.570 46 HA LYS 6 HA LYS 6 7.264 4.588 10.404 47 HB2 LYS 6 1HB LYS 6 8.495 4.424 12.595 48 HB3 LYS 6 2HB LYS 6 6.804 3.928 12.637 49 HG2 LYS 6 1HG LYS 6 7.540 1.574 12.454 50 HG3 LYS 6 2HG LYS 6 9.214 2.120 12.543 51 HD2 LYS 6 1HD LYS 6 8.871 2.989 14.758 52 HD3 LYS 6 2HD LYS 6 7.139 2.661 14.664 53 HE2 LYS 6 1HE LYS 6 7.608 0.262 14.497 54 HE3 LYS 6 2HE LYS 6 9.335 0.593 14.606 55 HZ1 LYS 6 3HZ LYS 6 9.011 1.466 16.814 56 HZ2 LYS 6 1HZ LYS 6 8.379 -0.098 16.726 57 HZ3 LYS 6 2HZ LYS 6 7.340 1.236 16.708 58 H THR 7 H THR 7 8.900 1.736 9.569 59 HA THR 7 HA THR 7 11.211 3.320 8.764 60 HB THR 7 HB THR 7 12.705 1.387 9.294 61 HG1 THR 7 1HG THR 7 11.746 0.083 11.114 62 HG21 THR 7 3HG2 THR 7 12.706 3.381 10.687 63 HG22 THR 7 1HG2 THR 7 12.916 1.940 11.681 64 HG23 THR 7 2HG2 THR 7 11.351 2.749 11.621 65 H ALA 8 H ALA 8 12.258 2.662 6.901 66 HA ALA 8 HA ALA 8 10.837 1.295 4.917 67 HB1 ALA 8 1HB ALA 8 12.774 2.802 4.514 68 HB2 ALA 8 2HB ALA 8 12.915 1.259 3.673 69 HB3 ALA 8 3HB ALA 8 13.842 1.550 5.143 70 H SER 9 H SER 9 13.034 0.231 7.420 71 HA SER 9 HA SER 9 13.433 -2.423 6.613 72 HB2 SER 9 1HB SER 9 13.351 -1.317 9.427 73 HB3 SER 9 2HB SER 9 14.119 -2.823 8.921 74 HG SER 9 HG SER 9 15.402 -1.429 7.474 75 H GLU 10 H GLU 10 10.850 -0.908 8.550 76 HA GLU 10 HA GLU 10 9.521 -3.306 9.259 77 HB2 GLU 10 1HB GLU 10 8.591 -0.471 8.883 78 HB3 GLU 10 2HB GLU 10 7.438 -1.749 9.228 79 HG2 GLU 10 1HG GLU 10 9.794 -1.049 10.961 80 HG3 GLU 10 2HG GLU 10 8.144 -0.488 11.223 81 H PHE 11 H PHE 11 9.297 -1.209 6.465 82 HA PHE 11 HA PHE 11 7.185 -2.574 5.174 83 HB2 PHE 11 1HB PHE 11 7.394 -0.412 4.462 84 HB3 PHE 11 2HB PHE 11 9.151 -0.447 4.472 85 HD1 PHE 11 1HD PHE 11 6.131 -1.224 2.549 86 HD2 PHE 11 2HD PHE 11 10.381 -1.129 2.536 87 HE1 PHE 11 1HE PHE 11 6.120 -1.462 0.102 88 HE2 PHE 11 2HE PHE 11 10.380 -1.374 0.087 89 HZ PHE 11 HZ PHE 11 8.249 -1.538 -1.134 90 H ASP 12 H ASP 12 10.714 -2.649 4.694 91 HA ASP 12 HA ASP 12 10.725 -4.433 2.540 92 HB2 ASP 12 1HB ASP 12 12.700 -3.134 3.196 93 HB3 ASP 12 2HB ASP 12 12.842 -4.086 4.672 94 H SER 13 H SER 13 10.955 -5.087 6.024 95 HA SER 13 HA SER 13 11.298 -7.881 5.699 96 HB2 SER 13 1HB SER 13 10.300 -6.363 8.122 97 HB3 SER 13 2HB SER 13 10.923 -8.014 8.116 98 HG SER 13 HG SER 13 12.272 -5.610 8.042 99 H ALA 14 H ALA 14 8.479 -5.835 5.819 100 HA ALA 14 HA ALA 14 6.626 -7.985 6.207 101 HB1 ALA 14 1HB ALA 14 4.938 -6.336 5.360 102 HB2 ALA 14 2HB ALA 14 6.262 -5.188 5.153 103 HB3 ALA 14 3HB ALA 14 5.865 -5.793 6.763 104 H ILE 15 H ILE 15 7.735 -6.140 3.378 105 HA ILE 15 HA ILE 15 5.972 -7.413 1.586 106 HB ILE 15 HB ILE 15 7.310 -6.405 -0.192 107 HG12 ILE 15 1HG1 ILE 15 9.119 -5.341 1.966 108 HG13 ILE 15 2HG1 ILE 15 9.510 -6.780 1.036 109 HG21 ILE 15 1HG2 ILE 15 6.981 -4.074 0.462 110 HG22 ILE 15 2HG2 ILE 15 6.839 -4.565 2.150 111 HG23 ILE 15 3HG2 ILE 15 5.625 -5.077 0.978 112 HD11 ILE 15 3HD1 ILE 15 9.448 -5.454 -1.018 113 HD12 ILE 15 1HD1 ILE 15 10.626 -4.829 0.135 114 HD13 ILE 15 2HD1 ILE 15 9.073 -4.017 -0.069 115 H ALA 16 H ALA 16 8.957 -8.412 2.958 116 HA ALA 16 HA ALA 16 9.586 -10.272 0.825 117 HB1 ALA 16 1HB ALA 16 11.456 -10.933 2.201 118 HB2 ALA 16 2HB ALA 16 10.797 -10.036 3.568 119 HB3 ALA 16 3HB ALA 16 11.357 -9.172 2.136 120 H GLN 17 H GLN 17 7.359 -10.267 3.270 121 HA GLN 17 HA GLN 17 7.667 -12.923 4.252 122 HB2 GLN 17 1HB GLN 17 5.318 -11.025 4.337 123 HB3 GLN 17 2HB GLN 17 5.329 -12.594 5.126 124 HG2 GLN 17 1HG GLN 17 7.267 -11.868 6.468 125 HG3 GLN 17 2HG GLN 17 7.153 -10.276 5.719 126 HE21 GLN 17 1HE2 GLN 17 5.704 -12.511 7.938 127 HE22 GLN 17 2HE2 GLN 17 4.614 -11.391 8.677 128 H ASP 18 H ASP 18 6.018 -14.612 3.980 129 HA ASP 18 HA ASP 18 5.686 -15.155 1.163 130 HB2 ASP 18 1HB ASP 18 4.911 -16.800 3.573 131 HB3 ASP 18 2HB ASP 18 4.954 -17.376 1.914 132 H LYS 19 H LYS 19 4.046 -13.032 2.125 133 HA LYS 19 HA LYS 19 1.390 -14.104 1.591 134 HB2 LYS 19 1HB LYS 19 0.540 -13.758 3.622 135 HB3 LYS 19 2HB LYS 19 2.201 -13.793 4.167 136 HG2 LYS 19 1HG LYS 19 1.747 -11.823 5.106 137 HG3 LYS 19 2HG LYS 19 1.882 -11.179 3.466 138 HD2 LYS 19 1HD LYS 19 -0.183 -10.451 4.618 139 HD3 LYS 19 2HD LYS 19 -0.495 -11.355 3.137 140 HE2 LYS 19 1HE LYS 19 -2.000 -12.019 4.951 141 HE3 LYS 19 2HE LYS 19 -0.969 -13.352 4.427 142 HZ1 LYS 19 3HZ LYS 19 -0.447 -11.633 6.799 143 HZ2 LYS 19 1HZ LYS 19 0.433 -13.002 6.332 144 HZ3 LYS 19 2HZ LYS 19 -1.162 -13.171 6.859 145 H LEU 20 H LEU 20 -0.199 -12.236 1.486 146 HA LEU 20 HA LEU 20 0.752 -10.361 -0.454 147 HB2 LEU 20 1HB LEU 20 -1.568 -11.446 -0.304 148 HB3 LEU 20 2HB LEU 20 -1.901 -10.297 0.972 149 HG LEU 20 HG LEU 20 -2.889 -9.521 -1.076 150 HD11 LEU 20 1HD1 LEU 20 -1.978 -7.802 0.396 151 HD12 LEU 20 2HD1 LEU 20 -1.955 -7.316 -1.298 152 HD13 LEU 20 3HD1 LEU 20 -0.463 -7.837 -0.510 153 HD21 LEU 20 3HD2 LEU 20 -0.144 -9.683 -2.281 154 HD22 LEU 20 1HD2 LEU 20 -1.557 -8.968 -3.056 155 HD23 LEU 20 2HD2 LEU 20 -1.531 -10.692 -2.686 156 H VAL 21 H VAL 21 2.152 -8.793 0.333 157 HA VAL 21 HA VAL 21 1.006 -7.208 2.568 158 HB VAL 21 HB VAL 21 3.883 -7.271 1.625 159 HG11 VAL 21 1HG1 VAL 21 3.161 -4.993 2.269 160 HG12 VAL 21 2HG1 VAL 21 4.346 -5.668 3.396 161 HG13 VAL 21 3HG1 VAL 21 2.638 -5.627 3.832 162 HG21 VAL 21 3HG2 VAL 21 3.188 -9.196 2.972 163 HG22 VAL 21 1HG2 VAL 21 2.579 -8.107 4.218 164 HG23 VAL 21 2HG2 VAL 21 4.306 -8.164 3.863 165 H VAL 22 H VAL 22 -0.246 -5.657 1.791 166 HA VAL 22 HA VAL 22 0.764 -4.072 -0.442 167 HB VAL 22 HB VAL 22 -1.341 -4.565 -1.112 168 HG11 VAL 22 1HG1 VAL 22 -3.246 -4.944 0.257 169 HG12 VAL 22 2HG1 VAL 22 -2.406 -4.318 1.679 170 HG13 VAL 22 3HG1 VAL 22 -1.878 -5.827 0.934 171 HG21 VAL 22 3HG2 VAL 22 -1.208 -2.139 -1.044 172 HG22 VAL 22 1HG2 VAL 22 -1.834 -2.135 0.605 173 HG23 VAL 22 2HG2 VAL 22 -2.856 -2.675 -0.726 174 H VAL 23 H VAL 23 1.965 -2.478 0.134 175 HA VAL 23 HA VAL 23 1.181 -0.829 2.443 176 HB VAL 23 HB VAL 23 3.850 -0.940 1.031 177 HG11 VAL 23 1HG1 VAL 23 4.659 0.326 2.937 178 HG12 VAL 23 2HG1 VAL 23 3.032 0.359 3.618 179 HG13 VAL 23 3HG1 VAL 23 3.368 1.193 2.101 180 HG21 VAL 23 3HG2 VAL 23 4.566 -2.043 3.201 181 HG22 VAL 23 1HG2 VAL 23 3.601 -3.026 2.101 182 HG23 VAL 23 2HG2 VAL 23 2.854 -2.298 3.519 183 H ALA 24 H ALA 24 0.478 1.216 2.087 184 HA ALA 24 HA ALA 24 0.832 2.400 -0.588 185 HB1 ALA 24 1HB ALA 24 -1.184 3.349 1.419 186 HB2 ALA 24 2HB ALA 24 -1.506 1.990 0.332 187 HB3 ALA 24 3HB ALA 24 -1.157 3.583 -0.333 188 H PHE 25 H PHE 25 2.430 3.682 -0.722 189 HA PHE 25 HA PHE 25 3.455 5.315 1.375 190 HB2 PHE 25 1HB PHE 25 3.753 5.541 -1.623 191 HB3 PHE 25 2HB PHE 25 4.777 6.343 -0.438 192 HD1 PHE 25 1HD PHE 25 3.846 3.088 -1.900 193 HD2 PHE 25 2HD PHE 25 6.594 5.203 0.567 194 HE1 PHE 25 1HE PHE 25 5.383 1.171 -1.981 195 HE2 PHE 25 2HE PHE 25 8.137 3.289 0.486 196 HZ PHE 25 HZ PHE 25 7.534 1.270 -0.786 197 H TYR 26 H TYR 26 2.130 6.943 2.224 198 HA TYR 26 HA TYR 26 1.319 9.051 0.465 199 HB2 TYR 26 1HB TYR 26 -0.936 8.761 0.313 200 HB3 TYR 26 2HB TYR 26 -0.402 7.082 0.341 201 HD1 TYR 26 2HD TYR 26 -1.781 9.750 2.486 202 HD2 TYR 26 1HD TYR 26 -1.153 5.615 1.888 203 HE1 TYR 26 2HE TYR 26 -3.338 9.261 4.345 204 HE2 TYR 26 1HE TYR 26 -2.693 5.090 3.706 205 HH TYR 26 HH TYR 26 -3.514 6.439 5.891 206 H ALA 27 H ALA 27 0.611 10.929 1.491 207 HA ALA 27 HA ALA 27 0.874 10.923 4.424 208 HB1 ALA 27 1HB ALA 27 1.660 13.282 4.188 209 HB2 ALA 27 2HB ALA 27 1.733 13.031 2.443 210 HB3 ALA 27 3HB ALA 27 2.769 12.090 3.517 211 H THR 28 H THR 28 -0.387 12.700 5.435 212 HA THR 28 HA THR 28 -3.036 12.404 4.391 213 HB THR 28 HB THR 28 -3.611 13.665 6.575 214 HG1 THR 28 1HG THR 28 -1.733 14.526 7.255 215 HG21 THR 28 3HG2 THR 28 -3.236 11.619 7.913 216 HG22 THR 28 1HG2 THR 28 -2.202 10.993 6.630 217 HG23 THR 28 2HG2 THR 28 -3.917 11.266 6.327 218 H TRP 29 H TRP 29 -0.751 14.665 3.713 219 HA TRP 29 HA TRP 29 -2.258 17.055 4.179 220 HB2 TRP 29 1HB TRP 29 -0.392 18.190 2.964 221 HB3 TRP 29 2HB TRP 29 0.108 17.242 4.355 222 HD1 TRP 29 HD TRP 29 -0.373 16.186 0.636 223 HE1 TRP 29 1HE TRP 29 1.797 15.041 -0.144 224 HE3 TRP 29 3HE TRP 29 2.394 16.709 4.899 225 HZ2 TRP 29 2HZ TRP 29 4.340 14.445 0.909 226 HZ3 TRP 29 3HZ TRP 29 4.689 15.825 4.928 227 HH2 TRP 29 HH TRP 29 5.640 14.716 2.973 228 H CYS 30 H CYS 30 -2.345 14.796 1.622 229 HA CYS 30 HA CYS 30 -2.986 16.869 -0.343 230 HB2 CYS 30 1HB CYS 30 -2.891 14.897 -1.972 231 HB3 CYS 30 2HB CYS 30 -1.383 15.439 -1.249 232 H GLY 31 H GLY 31 -4.608 15.821 -2.122 233 HA2 GLY 31 1HA GLY 31 -7.137 15.596 -0.733 234 HA3 GLY 31 2HA GLY 31 -6.902 15.720 -2.468 235 HA PRO 32 HA PRO 32 -7.359 11.428 -3.377 236 HB2 PRO 32 1HB PRO 32 -4.405 10.996 -3.506 237 HB3 PRO 32 2HB PRO 32 -5.661 10.532 -4.657 238 HG2 PRO 32 1HG PRO 32 -4.117 12.620 -5.157 239 HG3 PRO 32 2HG PRO 32 -5.853 12.681 -5.517 240 HD2 PRO 32 1HD PRO 32 -4.337 13.924 -3.265 241 HD3 PRO 32 2HD PRO 32 -5.733 14.549 -4.164 242 H CYS 33 H CYS 33 -4.456 11.738 -1.355 243 HA CYS 33 HA CYS 33 -4.523 9.312 -0.035 244 HB2 CYS 33 1HB CYS 33 -3.440 10.686 1.859 245 HB3 CYS 33 2HB CYS 33 -2.627 10.640 0.296 246 H LYS 34 H LYS 34 -6.387 12.225 0.651 247 HA LYS 34 HA LYS 34 -7.413 11.332 3.125 248 HB2 LYS 34 1HB LYS 34 -7.447 13.695 2.402 249 HB3 LYS 34 2HB LYS 34 -8.633 13.290 1.171 250 HG2 LYS 34 1HG LYS 34 -10.262 12.727 2.836 251 HG3 LYS 34 2HG LYS 34 -9.071 12.910 4.124 252 HD2 LYS 34 1HD LYS 34 -10.505 14.865 4.022 253 HD3 LYS 34 2HD LYS 34 -8.859 15.296 3.565 254 HE2 LYS 34 1HE LYS 34 -9.471 15.238 1.218 255 HE3 LYS 34 2HE LYS 34 -11.104 14.722 1.637 256 HZ1 LYS 34 3HZ LYS 34 -9.857 17.314 2.375 257 HZ2 LYS 34 1HZ LYS 34 -11.418 16.822 2.803 258 HZ3 LYS 34 2HZ LYS 34 -11.030 17.083 1.180 259 H MET 35 H MET 35 -8.854 11.313 -0.156 260 HA MET 35 HA MET 35 -11.257 10.101 0.657 261 HB2 MET 35 1HB MET 35 -11.603 9.570 -1.740 262 HB3 MET 35 2HB MET 35 -11.206 11.252 -1.435 263 HG2 MET 35 1HG MET 35 -8.885 10.784 -2.091 264 HG3 MET 35 2HG MET 35 -9.353 9.128 -2.456 265 HE1 MET 35 3HE MET 35 -11.801 9.602 -5.462 266 HE2 MET 35 1HE MET 35 -12.256 9.561 -3.759 267 HE3 MET 35 2HE MET 35 -11.027 8.456 -4.371 268 H ILE 36 H ILE 36 -8.301 8.582 -0.665 269 HA ILE 36 HA ILE 36 -9.556 6.010 -0.562 270 HB ILE 36 HB ILE 36 -7.931 5.351 -1.894 271 HG12 ILE 36 1HG1 ILE 36 -6.817 4.758 0.345 272 HG13 ILE 36 2HG1 ILE 36 -5.844 4.714 -1.104 273 HG21 ILE 36 1HG2 ILE 36 -6.182 6.843 -2.689 274 HG22 ILE 36 2HG2 ILE 36 -6.557 7.969 -1.384 275 HG23 ILE 36 3HG2 ILE 36 -7.757 7.634 -2.632 276 HD11 ILE 36 3HD1 ILE 36 -4.854 6.869 -0.499 277 HD12 ILE 36 1HD1 ILE 36 -4.639 5.669 0.780 278 HD13 ILE 36 2HD1 ILE 36 -5.873 6.923 0.939 279 H ALA 37 H ALA 37 -8.021 8.009 1.722 280 HA ALA 37 HA ALA 37 -6.792 6.129 3.347 281 HB1 ALA 37 1HB ALA 37 -6.525 8.573 3.571 282 HB2 ALA 37 2HB ALA 37 -6.840 7.754 5.108 283 HB3 ALA 37 3HB ALA 37 -8.133 8.649 4.308 284 HA PRO 38 HA PRO 38 -10.947 5.280 5.638 285 HB2 PRO 38 1HB PRO 38 -13.234 6.107 4.386 286 HB3 PRO 38 2HB PRO 38 -12.456 6.993 5.701 287 HG2 PRO 38 1HG PRO 38 -12.277 7.438 2.752 288 HG3 PRO 38 2HG PRO 38 -12.448 8.628 4.058 289 HD2 PRO 38 1HD PRO 38 -10.080 8.159 2.892 290 HD3 PRO 38 2HD PRO 38 -10.209 8.521 4.624 291 H MET 39 H MET 39 -10.930 5.521 2.069 292 HA MET 39 HA MET 39 -12.553 3.236 1.652 293 HB2 MET 39 1HB MET 39 -10.455 4.450 -0.126 294 HB3 MET 39 2HB MET 39 -11.526 3.158 -0.626 295 HG2 MET 39 1HG MET 39 -12.404 5.897 0.260 296 HG3 MET 39 2HG MET 39 -12.255 5.364 -1.412 297 HE1 MET 39 3HE MET 39 -14.630 5.928 1.428 298 HE2 MET 39 1HE MET 39 -13.995 4.398 2.030 299 HE3 MET 39 2HE MET 39 -15.669 4.505 1.492 300 H ILE 40 H ILE 40 -8.953 3.393 1.292 301 HA ILE 40 HA ILE 40 -8.768 0.587 1.148 302 HB ILE 40 HB ILE 40 -6.755 2.767 1.642 303 HG12 ILE 40 1HG1 ILE 40 -7.223 0.770 -0.586 304 HG13 ILE 40 2HG1 ILE 40 -7.869 2.403 -0.560 305 HG21 ILE 40 1HG2 ILE 40 -4.975 1.109 1.444 306 HG22 ILE 40 2HG2 ILE 40 -6.168 -0.186 1.490 307 HG23 ILE 40 3HG2 ILE 40 -5.942 0.853 2.899 308 HD11 ILE 40 3HD1 ILE 40 -5.365 3.057 -0.310 309 HD12 ILE 40 1HD1 ILE 40 -6.066 2.659 -1.887 310 HD13 ILE 40 2HD1 ILE 40 -5.102 1.459 -1.014 311 H GLU 41 H GLU 41 -8.999 2.714 3.872 312 HA GLU 41 HA GLU 41 -8.294 0.905 5.900 313 HB2 GLU 41 1HB GLU 41 -8.828 3.332 6.221 314 HB3 GLU 41 2HB GLU 41 -10.523 2.947 5.969 315 HG2 GLU 41 1HG GLU 41 -10.060 3.161 8.318 316 HG3 GLU 41 2HG GLU 41 -10.469 1.489 7.938 317 H LYS 42 H LYS 42 -11.356 1.407 4.146 318 HA LYS 42 HA LYS 42 -12.819 -0.559 5.563 319 HB2 LYS 42 1HB LYS 42 -13.879 1.191 4.172 320 HB3 LYS 42 2HB LYS 42 -13.229 0.422 2.728 321 HG2 LYS 42 1HG LYS 42 -14.520 -1.664 3.840 322 HG3 LYS 42 2HG LYS 42 -15.524 -0.329 4.411 323 HD2 LYS 42 1HD LYS 42 -15.612 0.480 2.032 324 HD3 LYS 42 2HD LYS 42 -14.827 -1.037 1.571 325 HE2 LYS 42 1HE LYS 42 -17.450 -0.804 3.041 326 HE3 LYS 42 2HE LYS 42 -17.279 -1.121 1.317 327 HZ1 LYS 42 3HZ LYS 42 -17.653 -3.141 2.616 328 HZ2 LYS 42 1HZ LYS 42 -16.226 -2.868 3.477 329 HZ3 LYS 42 2HZ LYS 42 -16.167 -3.182 1.816 330 H PHE 43 H PHE 43 -10.887 -0.680 2.615 331 HA PHE 43 HA PHE 43 -11.461 -3.373 2.008 332 HB2 PHE 43 1HB PHE 43 -9.190 -1.593 1.175 333 HB3 PHE 43 2HB PHE 43 -9.373 -3.257 0.630 334 HD1 PHE 43 1HD PHE 43 -11.443 -0.170 0.895 335 HD2 PHE 43 2HD PHE 43 -10.386 -3.596 -1.391 336 HE1 PHE 43 1HE PHE 43 -12.937 0.582 -0.908 337 HE2 PHE 43 2HE PHE 43 -11.874 -2.852 -3.189 338 HZ PHE 43 HZ PHE 43 -13.156 -0.763 -2.959 339 H SER 44 H SER 44 -9.525 -1.929 4.357 340 HA SER 44 HA SER 44 -7.771 -4.198 4.728 341 HB2 SER 44 1HB SER 44 -6.534 -2.885 6.190 342 HB3 SER 44 2HB SER 44 -7.177 -1.673 5.075 343 HG SER 44 HG SER 44 -8.764 -1.173 6.602 344 H GLU 45 H GLU 45 -10.805 -3.094 5.663 345 HA GLU 45 HA GLU 45 -10.997 -4.837 7.965 346 HB2 GLU 45 1HB GLU 45 -12.408 -2.802 7.747 347 HB3 GLU 45 2HB GLU 45 -13.171 -3.505 6.328 348 HG2 GLU 45 1HG GLU 45 -13.916 -5.399 7.793 349 HG3 GLU 45 2HG GLU 45 -13.343 -4.457 9.170 350 H GLN 46 H GLN 46 -11.481 -4.898 4.533 351 HA GLN 46 HA GLN 46 -12.614 -7.598 4.665 352 HB2 GLN 46 1HB GLN 46 -13.454 -7.179 2.396 353 HB3 GLN 46 2HB GLN 46 -14.073 -6.036 3.575 354 HG2 GLN 46 1HG GLN 46 -12.433 -4.393 2.852 355 HG3 GLN 46 2HG GLN 46 -11.851 -5.525 1.628 356 HE21 GLN 46 1HE2 GLN 46 -13.050 -2.869 1.316 357 HE22 GLN 46 2HE2 GLN 46 -14.417 -3.092 0.281 358 H TYR 47 H TYR 47 -9.750 -6.920 4.821 359 HA TYR 47 HA TYR 47 -8.766 -8.375 2.479 360 HB2 TYR 47 1HB TYR 47 -6.544 -7.773 3.178 361 HB3 TYR 47 2HB TYR 47 -7.563 -6.344 3.266 362 HD1 TYR 47 2HD TYR 47 -8.802 -7.621 6.008 363 HD2 TYR 47 1HD TYR 47 -4.951 -6.514 4.628 364 HE1 TYR 47 2HE TYR 47 -8.064 -7.315 8.339 365 HE2 TYR 47 1HE TYR 47 -4.198 -6.201 6.942 366 HH TYR 47 HH TYR 47 -6.009 -7.279 9.630 367 HA PRO 48 HA PRO 48 -9.644 -11.749 5.554 368 HB2 PRO 48 1HB PRO 48 -9.664 -13.388 3.083 369 HB3 PRO 48 2HB PRO 48 -10.834 -13.326 4.406 370 HG2 PRO 48 1HG PRO 48 -11.389 -12.210 2.055 371 HG3 PRO 48 2HG PRO 48 -11.872 -11.424 3.570 372 HD2 PRO 48 1HD PRO 48 -9.572 -10.796 1.759 373 HD3 PRO 48 2HD PRO 48 -10.673 -9.689 2.603 374 H GLN 49 H GLN 49 -7.458 -12.227 2.727 375 HA GLN 49 HA GLN 49 -5.775 -13.822 4.545 376 HB2 GLN 49 1HB GLN 49 -4.933 -15.075 2.685 377 HB3 GLN 49 2HB GLN 49 -6.688 -15.127 2.666 378 HG2 GLN 49 1HG GLN 49 -6.837 -13.753 0.808 379 HG3 GLN 49 2HG GLN 49 -5.207 -13.117 1.025 380 HE21 GLN 49 1HE2 GLN 49 -3.449 -14.354 0.391 381 HE22 GLN 49 2HE2 GLN 49 -3.603 -15.682 -0.698 382 H ALA 50 H ALA 50 -5.704 -10.823 3.923 383 HA ALA 50 HA ALA 50 -2.954 -10.738 2.890 384 HB1 ALA 50 1HB ALA 50 -4.477 -9.978 1.170 385 HB2 ALA 50 2HB ALA 50 -3.510 -8.630 1.766 386 HB3 ALA 50 3HB ALA 50 -5.185 -8.809 2.280 387 H ASP 51 H ASP 51 -1.809 -8.756 3.445 388 HA ASP 51 HA ASP 51 -2.631 -7.643 6.043 389 HB2 ASP 51 1HB ASP 51 0.048 -8.441 4.992 390 HB3 ASP 51 2HB ASP 51 -0.037 -7.076 6.099 391 H PHE 52 H PHE 52 -2.791 -5.494 6.237 392 HA PHE 52 HA PHE 52 -2.372 -3.919 3.784 393 HB2 PHE 52 1HB PHE 52 -4.634 -4.198 5.622 394 HB3 PHE 52 2HB PHE 52 -4.220 -2.529 5.265 395 HD1 PHE 52 1HD PHE 52 -4.252 -5.608 3.130 396 HD2 PHE 52 2HD PHE 52 -5.733 -1.694 3.835 397 HE1 PHE 52 1HE PHE 52 -5.571 -5.736 1.057 398 HE2 PHE 52 2HE PHE 52 -7.056 -1.812 1.793 399 HZ PHE 52 HZ PHE 52 -6.975 -3.830 0.378 400 H TYR 53 H TYR 53 -0.951 -2.326 3.926 401 HA TYR 53 HA TYR 53 -0.721 -0.849 6.446 402 HB2 TYR 53 1HB TYR 53 1.733 -1.564 4.848 403 HB3 TYR 53 2HB TYR 53 1.643 -0.901 6.483 404 HD1 TYR 53 1HD TYR 53 0.919 -2.347 8.352 405 HD2 TYR 53 2HD TYR 53 1.693 -3.936 4.495 406 HE1 TYR 53 1HE TYR 53 1.128 -4.586 9.335 407 HE2 TYR 53 2HE TYR 53 1.903 -6.191 5.467 408 HH TYR 53 HH TYR 53 2.427 -7.217 7.632 409 H LYS 54 H LYS 54 -0.069 1.342 6.154 410 HA LYS 54 HA LYS 54 0.453 2.191 3.412 411 HB2 LYS 54 1HB LYS 54 -1.666 3.558 5.090 412 HB3 LYS 54 2HB LYS 54 -1.111 4.088 3.493 413 HG2 LYS 54 1HG LYS 54 -1.993 2.035 2.500 414 HG3 LYS 54 2HG LYS 54 -2.497 1.454 4.072 415 HD2 LYS 54 1HD LYS 54 -3.633 3.843 2.574 416 HD3 LYS 54 2HD LYS 54 -4.402 2.294 2.860 417 HE2 LYS 54 1HE LYS 54 -4.671 2.680 5.144 418 HE3 LYS 54 2HE LYS 54 -3.533 4.023 5.150 419 HZ1 LYS 54 3HZ LYS 54 -5.084 5.389 4.039 420 HZ2 LYS 54 1HZ LYS 54 -5.937 4.630 5.285 421 HZ3 LYS 54 2HZ LYS 54 -6.115 4.090 3.692 422 H LEU 55 H LEU 55 2.163 3.497 3.322 423 HA LEU 55 HA LEU 55 3.492 4.020 5.853 424 HB2 LEU 55 1HB LEU 55 4.393 4.713 3.052 425 HB3 LEU 55 2HB LEU 55 5.362 4.865 4.493 426 HG LEU 55 HG LEU 55 4.372 2.304 3.277 427 HD11 LEU 55 1HD1 LEU 55 7.130 3.464 3.591 428 HD12 LEU 55 2HD1 LEU 55 6.238 3.277 2.083 429 HD13 LEU 55 3HD1 LEU 55 6.762 1.853 2.979 430 HD21 LEU 55 3HD2 LEU 55 5.918 2.815 5.796 431 HD22 LEU 55 1HD2 LEU 55 5.738 1.236 5.028 432 HD23 LEU 55 2HD2 LEU 55 4.319 2.077 5.652 433 H ASP 56 H ASP 56 3.767 5.927 6.865 434 HA ASP 56 HA ASP 56 2.650 8.364 5.912 435 HB2 ASP 56 1HB ASP 56 4.819 7.825 7.964 436 HB3 ASP 56 2HB ASP 56 4.095 9.399 7.672 437 H VAL 57 H VAL 57 3.440 8.721 3.817 438 HA VAL 57 HA VAL 57 5.999 8.074 2.951 439 HB VAL 57 HB VAL 57 3.839 8.588 1.636 440 HG11 VAL 57 1HG1 VAL 57 3.842 10.850 0.604 441 HG12 VAL 57 2HG1 VAL 57 5.029 11.345 1.812 442 HG13 VAL 57 3HG1 VAL 57 3.421 10.826 2.313 443 HG21 VAL 57 3HG2 VAL 57 5.904 7.845 0.647 444 HG22 VAL 57 1HG2 VAL 57 6.513 9.498 0.622 445 HG23 VAL 57 2HG2 VAL 57 5.124 9.054 -0.372 446 H ASP 58 H ASP 58 5.287 10.498 5.128 447 HA ASP 58 HA ASP 58 7.248 12.412 4.057 448 HB2 ASP 58 1HB ASP 58 5.228 13.425 4.944 449 HB3 ASP 58 2HB ASP 58 5.393 12.532 6.450 450 H GLU 59 H GLU 59 6.586 10.152 6.547 451 HA GLU 59 HA GLU 59 9.113 10.416 7.902 452 HB2 GLU 59 1HB GLU 59 7.243 9.782 9.217 453 HB3 GLU 59 2HB GLU 59 6.729 8.579 8.048 454 HG2 GLU 59 1HG GLU 59 7.582 7.344 9.773 455 HG3 GLU 59 2HG GLU 59 8.889 7.388 8.599 456 H LEU 60 H LEU 60 7.567 8.398 5.513 457 HA LEU 60 HA LEU 60 9.983 6.779 5.156 458 HB2 LEU 60 1HB LEU 60 7.086 6.319 4.435 459 HB3 LEU 60 2HB LEU 60 8.373 5.392 3.688 460 HG LEU 60 HG LEU 60 7.532 4.052 5.428 461 HD11 LEU 60 1HD1 LEU 60 9.397 3.763 6.923 462 HD12 LEU 60 2HD1 LEU 60 9.981 5.384 6.557 463 HD13 LEU 60 3HD1 LEU 60 9.989 4.140 5.301 464 HD21 LEU 60 3HD2 LEU 60 7.745 6.447 7.239 465 HD22 LEU 60 1HD2 LEU 60 7.308 4.817 7.752 466 HD23 LEU 60 2HD2 LEU 60 6.263 5.702 6.642 467 H GLY 61 H GLY 61 10.432 9.182 4.191 468 HA2 GLY 61 1HA GLY 61 9.482 9.535 1.493 469 HA3 GLY 61 2HA GLY 61 10.693 10.510 2.310 470 H ASP 62 H ASP 62 12.454 8.415 3.013 471 HA ASP 62 HA ASP 62 13.932 8.314 0.588 472 HB2 ASP 62 1HB ASP 62 14.393 7.087 3.300 473 HB3 ASP 62 2HB ASP 62 15.507 6.859 1.956 474 H VAL 63 H VAL 63 12.066 5.900 2.406 475 HA VAL 63 HA VAL 63 12.732 3.763 0.656 476 HB VAL 63 HB VAL 63 11.849 3.227 2.854 477 HG11 VAL 63 1HG1 VAL 63 9.265 4.446 1.958 478 HG12 VAL 63 2HG1 VAL 63 10.372 5.126 3.152 479 HG13 VAL 63 3HG1 VAL 63 9.564 3.588 3.473 480 HG21 VAL 63 3HG2 VAL 63 11.475 1.585 1.134 481 HG22 VAL 63 1HG2 VAL 63 10.001 2.419 0.634 482 HG23 VAL 63 2HG2 VAL 63 10.078 1.637 2.213 483 H ALA 64 H ALA 64 10.126 6.115 0.722 484 HA ALA 64 HA ALA 64 8.604 5.220 -1.429 485 HB1 ALA 64 1HB ALA 64 7.818 7.509 -1.627 486 HB2 ALA 64 2HB ALA 64 9.173 8.077 -0.651 487 HB3 ALA 64 3HB ALA 64 7.939 7.042 0.069 488 H GLN 65 H GLN 65 11.598 7.062 -1.367 489 HA GLN 65 HA GLN 65 11.598 7.707 -4.142 490 HB2 GLN 65 1HB GLN 65 13.821 7.654 -2.090 491 HB3 GLN 65 2HB GLN 65 14.009 8.267 -3.729 492 HG2 GLN 65 1HG GLN 65 12.384 10.000 -3.311 493 HG3 GLN 65 2HG GLN 65 12.054 9.344 -1.704 494 HE21 GLN 65 1HE2 GLN 65 12.617 11.270 -0.706 495 HE22 GLN 65 2HE2 GLN 65 14.261 11.799 -0.583 496 H LYS 66 H LYS 66 12.876 5.080 -2.212 497 HA LYS 66 HA LYS 66 14.432 3.766 -4.095 498 HB2 LYS 66 1HB LYS 66 12.729 2.693 -1.850 499 HB3 LYS 66 2HB LYS 66 13.921 1.748 -2.723 500 HG2 LYS 66 1HG LYS 66 15.685 3.234 -1.929 501 HG3 LYS 66 2HG LYS 66 14.470 4.185 -1.072 502 HD2 LYS 66 1HD LYS 66 13.932 2.324 0.351 503 HD3 LYS 66 2HD LYS 66 14.992 1.263 -0.573 504 HE2 LYS 66 1HE LYS 66 15.927 2.093 1.604 505 HE3 LYS 66 2HE LYS 66 16.932 2.393 0.185 506 HZ1 LYS 66 3HZ LYS 66 16.872 4.335 1.572 507 HZ2 LYS 66 1HZ LYS 66 15.182 4.360 1.558 508 HZ3 LYS 66 2HZ LYS 66 16.044 4.672 0.136 509 H ASN 67 H ASN 67 11.007 3.632 -3.405 510 HA ASN 67 HA ASN 67 10.568 1.564 -5.405 511 HB2 ASN 67 1HB ASN 67 8.752 2.834 -3.352 512 HB3 ASN 67 2HB ASN 67 8.219 1.612 -4.503 513 HD21 ASN 67 1HD2 ASN 67 10.335 2.258 -1.786 514 HD22 ASN 67 2HD2 ASN 67 10.571 0.608 -1.325 515 H GLU 68 H GLU 68 11.050 4.652 -5.651 516 HA GLU 68 HA GLU 68 10.625 6.250 -7.187 517 HB2 GLU 68 1HB GLU 68 9.356 4.019 -8.775 518 HB3 GLU 68 2HB GLU 68 9.957 5.547 -9.407 519 HG2 GLU 68 1HG GLU 68 12.227 4.887 -8.588 520 HG3 GLU 68 2HG GLU 68 11.559 3.298 -8.220 521 H VAL 69 H VAL 69 8.890 6.325 -5.173 522 HA VAL 69 HA VAL 69 6.165 6.360 -6.087 523 HB VAL 69 HB VAL 69 7.466 7.328 -3.542 524 HG11 VAL 69 1HG1 VAL 69 5.469 8.665 -3.969 525 HG12 VAL 69 2HG1 VAL 69 5.218 7.563 -2.616 526 HG13 VAL 69 3HG1 VAL 69 4.525 7.193 -4.195 527 HG21 VAL 69 3HG2 VAL 69 6.354 5.378 -2.559 528 HG22 VAL 69 1HG2 VAL 69 7.469 4.918 -3.847 529 HG23 VAL 69 2HG2 VAL 69 5.732 4.941 -4.151 530 H SER 70 H SER 70 5.332 7.901 -7.292 531 HA SER 70 HA SER 70 6.276 10.659 -6.917 532 HB2 SER 70 1HB SER 70 5.634 10.947 -9.384 533 HB3 SER 70 2HB SER 70 7.104 10.033 -9.042 534 HG SER 70 HG SER 70 6.231 8.380 -9.976 535 H ALA 71 H ALA 71 3.590 8.848 -8.393 536 HA ALA 71 HA ALA 71 1.688 10.887 -7.699 537 HB1 ALA 71 1HB ALA 71 1.234 8.101 -8.766 538 HB2 ALA 71 2HB ALA 71 1.425 9.559 -9.740 539 HB3 ALA 71 3HB ALA 71 0.030 9.386 -8.674 540 H MET 72 H MET 72 0.543 11.036 -5.878 541 HA MET 72 HA MET 72 0.769 8.840 -3.945 542 HB2 MET 72 1HB MET 72 0.361 10.451 -2.214 543 HB3 MET 72 2HB MET 72 1.599 11.103 -3.275 544 HG2 MET 72 1HG MET 72 -1.316 11.849 -3.375 545 HG3 MET 72 2HG MET 72 -0.068 12.772 -2.545 546 HE1 MET 72 3HE MET 72 -1.067 14.915 -5.722 547 HE2 MET 72 1HE MET 72 -1.051 14.861 -3.960 548 HE3 MET 72 2HE MET 72 -2.147 13.817 -4.865 549 HA PRO 73 HA PRO 73 -0.053 7.872 -2.409 550 HB2 PRO 73 1HB PRO 73 -1.465 5.700 -1.817 551 HB3 PRO 73 2HB PRO 73 -1.906 7.265 -1.118 552 HG2 PRO 73 1HG PRO 73 -3.107 5.841 -3.468 553 HG3 PRO 73 2HG PRO 73 -3.928 6.638 -2.115 554 HD2 PRO 73 1HD PRO 73 -3.526 7.812 -4.556 555 HD3 PRO 73 2HD PRO 73 -3.695 8.722 -3.043 556 H THR 74 H THR 74 0.999 5.684 -2.546 557 HA THR 74 HA THR 74 0.757 4.540 -5.237 558 HB THR 74 HB THR 74 3.235 4.513 -3.501 559 HG1 THR 74 1HG THR 74 2.232 6.428 -5.178 560 HG21 THR 74 3HG2 THR 74 2.793 3.755 -6.391 561 HG22 THR 74 1HG2 THR 74 3.092 2.638 -5.062 562 HG23 THR 74 2HG2 THR 74 4.350 3.767 -5.563 563 H LEU 75 H LEU 75 -0.209 2.629 -5.156 564 HA LEU 75 HA LEU 75 -0.107 1.083 -2.662 565 HB2 LEU 75 1HB LEU 75 -2.108 1.424 -4.829 566 HB3 LEU 75 2HB LEU 75 -1.998 -0.141 -4.057 567 HG LEU 75 HG LEU 75 -3.759 1.267 -3.078 568 HD11 LEU 75 1HD1 LEU 75 -3.109 0.996 -0.728 569 HD12 LEU 75 2HD1 LEU 75 -1.448 0.698 -1.235 570 HD13 LEU 75 3HD1 LEU 75 -2.725 -0.425 -1.697 571 HD21 LEU 75 3HD2 LEU 75 -3.122 3.214 -1.706 572 HD22 LEU 75 1HD2 LEU 75 -2.802 3.455 -3.424 573 HD23 LEU 75 2HD2 LEU 75 -1.475 3.083 -2.324 574 H LEU 76 H LEU 76 1.484 -0.361 -2.780 575 HA LEU 76 HA LEU 76 1.594 -2.017 -5.212 576 HB2 LEU 76 1HB LEU 76 4.007 -1.483 -3.484 577 HB3 LEU 76 2HB LEU 76 3.959 -2.131 -5.109 578 HG LEU 76 HG LEU 76 3.346 0.734 -4.378 579 HD11 LEU 76 1HD1 LEU 76 5.800 -0.477 -5.644 580 HD12 LEU 76 2HD1 LEU 76 5.695 0.191 -4.015 581 HD13 LEU 76 3HD1 LEU 76 5.497 1.245 -5.414 582 HD21 LEU 76 3HD2 LEU 76 3.676 -0.624 -7.043 583 HD22 LEU 76 1HD2 LEU 76 3.483 1.111 -6.795 584 HD23 LEU 76 2HD2 LEU 76 2.171 0.009 -6.374 585 H LEU 77 H LEU 77 0.777 -3.920 -4.655 586 HA LEU 77 HA LEU 77 1.258 -4.881 -1.970 587 HB2 LEU 77 1HB LEU 77 0.110 -6.861 -3.709 588 HB3 LEU 77 2HB LEU 77 -0.533 -6.158 -2.243 589 HG LEU 77 HG LEU 77 -0.838 -5.030 -5.027 590 HD11 LEU 77 1HD1 LEU 77 -3.219 -5.633 -4.636 591 HD12 LEU 77 2HD1 LEU 77 -2.746 -6.392 -3.116 592 HD13 LEU 77 3HD1 LEU 77 -2.150 -7.035 -4.651 593 HD21 LEU 77 3HD2 LEU 77 -2.167 -3.309 -4.162 594 HD22 LEU 77 1HD2 LEU 77 -0.766 -3.342 -3.095 595 HD23 LEU 77 2HD2 LEU 77 -2.291 -4.069 -2.579 596 H PHE 78 H PHE 78 2.976 -5.893 -1.457 597 HA PHE 78 HA PHE 78 4.608 -7.105 -3.568 598 HB2 PHE 78 1HB PHE 78 5.263 -6.023 -0.837 599 HB3 PHE 78 2HB PHE 78 6.388 -7.030 -1.729 600 HD1 PHE 78 2HD PHE 78 7.311 -6.208 -3.893 601 HD2 PHE 78 1HD PHE 78 4.997 -3.737 -1.317 602 HE1 PHE 78 2HE PHE 78 8.180 -4.211 -5.033 603 HE2 PHE 78 1HE PHE 78 5.866 -1.735 -2.448 604 HZ PHE 78 HZ PHE 78 7.460 -1.970 -4.309 605 H LYS 79 H LYS 79 5.399 -9.198 -3.305 606 HA LYS 79 HA LYS 79 4.421 -10.685 -0.993 607 HB2 LYS 79 1HB LYS 79 3.761 -11.150 -3.872 608 HB3 LYS 79 2HB LYS 79 3.651 -12.428 -2.688 609 HG2 LYS 79 1HG LYS 79 2.199 -10.762 -1.372 610 HG3 LYS 79 2HG LYS 79 1.966 -10.031 -2.958 611 HD2 LYS 79 1HD LYS 79 0.194 -11.610 -2.611 612 HD3 LYS 79 2HD LYS 79 1.294 -12.286 -3.809 613 HE2 LYS 79 1HE LYS 79 2.354 -13.627 -2.036 614 HE3 LYS 79 2HE LYS 79 1.197 -12.978 -0.877 615 HZ1 LYS 79 3HZ LYS 79 0.512 -14.585 -3.275 616 HZ2 LYS 79 1HZ LYS 79 -0.589 -13.988 -2.135 617 HZ3 LYS 79 2HZ LYS 79 0.546 -15.157 -1.685 618 H ASN 80 H ASN 80 6.041 -11.827 -0.203 619 HA ASN 80 HA ASN 80 7.951 -13.034 0.006 620 HB2 ASN 80 1HB ASN 80 7.440 -13.776 -2.883 621 HB3 ASN 80 2HB ASN 80 8.561 -14.591 -1.806 622 HD21 ASN 80 1HD2 ASN 80 5.266 -14.134 -2.685 623 HD22 ASN 80 2HD2 ASN 80 4.613 -15.388 -1.694 624 H GLY 81 H GLY 81 7.971 -10.251 -1.019 625 HA2 GLY 81 1HA GLY 81 9.519 -8.708 -1.713 626 HA3 GLY 81 2HA GLY 81 10.727 -9.982 -1.623 627 H LYS 82 H LYS 82 8.050 -10.766 -3.594 628 HA LYS 82 HA LYS 82 9.738 -10.325 -5.962 629 HB2 LYS 82 1HB LYS 82 7.582 -12.392 -5.481 630 HB3 LYS 82 2HB LYS 82 8.571 -12.250 -6.915 631 HG2 LYS 82 1HG LYS 82 9.548 -12.940 -4.160 632 HG3 LYS 82 2HG LYS 82 9.337 -14.064 -5.502 633 HD2 LYS 82 1HD LYS 82 11.021 -12.808 -6.786 634 HD3 LYS 82 2HD LYS 82 11.255 -11.737 -5.402 635 HE2 LYS 82 1HE LYS 82 12.994 -13.407 -5.424 636 HE3 LYS 82 2HE LYS 82 11.927 -13.691 -4.049 637 HZ1 LYS 82 3HZ LYS 82 11.860 -15.153 -6.634 638 HZ2 LYS 82 1HZ LYS 82 10.815 -15.423 -5.333 639 HZ3 LYS 82 2HZ LYS 82 12.465 -15.751 -5.175 640 H GLU 83 H GLU 83 7.313 -8.951 -4.426 641 HA GLU 83 HA GLU 83 5.668 -7.498 -4.966 642 HB2 GLU 83 1HB GLU 83 7.270 -6.905 -6.878 643 HB3 GLU 83 2HB GLU 83 6.310 -7.975 -7.884 644 HG2 GLU 83 1HG GLU 83 4.331 -6.562 -7.423 645 HG3 GLU 83 2HG GLU 83 5.369 -5.459 -6.521 646 H VAL 84 H VAL 84 3.534 -7.470 -6.331 647 HA VAL 84 HA VAL 84 2.760 -9.991 -7.438 648 HB VAL 84 HB VAL 84 2.394 -10.020 -4.873 649 HG11 VAL 84 1HG1 VAL 84 0.401 -9.184 -4.014 650 HG12 VAL 84 2HG1 VAL 84 -0.188 -8.702 -5.605 651 HG13 VAL 84 3HG1 VAL 84 1.170 -7.845 -4.867 652 HG21 VAL 84 3HG2 VAL 84 1.687 -11.847 -6.112 653 HG22 VAL 84 1HG2 VAL 84 0.426 -10.916 -6.927 654 HG23 VAL 84 2HG2 VAL 84 0.256 -11.323 -5.216 655 H ALA 85 H ALA 85 2.068 -6.690 -6.549 656 HA ALA 85 HA ALA 85 0.915 -6.227 -9.156 657 HB1 ALA 85 1HB ALA 85 -1.149 -5.183 -8.311 658 HB2 ALA 85 2HB ALA 85 -0.770 -5.799 -6.702 659 HB3 ALA 85 3HB ALA 85 -1.096 -6.924 -8.019 660 H LYS 86 H LYS 86 0.454 -3.928 -9.505 661 HA LYS 86 HA LYS 86 1.607 -2.121 -7.570 662 HB2 LYS 86 1HB LYS 86 3.604 -2.557 -8.712 663 HB3 LYS 86 2HB LYS 86 2.800 -2.666 -10.268 664 HG2 LYS 86 1HG LYS 86 2.609 -0.333 -10.456 665 HG3 LYS 86 2HG LYS 86 2.985 -0.082 -8.753 666 HD2 LYS 86 1HD LYS 86 5.263 -0.865 -9.129 667 HD3 LYS 86 2HD LYS 86 4.887 -1.165 -10.827 668 HE2 LYS 86 1HE LYS 86 4.476 1.201 -11.179 669 HE3 LYS 86 2HE LYS 86 4.759 1.529 -9.469 670 HZ1 LYS 86 3HZ LYS 86 6.705 2.054 -10.772 671 HZ2 LYS 86 1HZ LYS 86 6.759 0.483 -11.402 672 HZ3 LYS 86 2HZ LYS 86 7.036 0.747 -9.756 673 H VAL 87 H VAL 87 0.296 -0.458 -7.367 674 HA VAL 87 HA VAL 87 -0.910 0.692 -9.801 675 HB VAL 87 HB VAL 87 -2.218 0.904 -7.091 676 HG11 VAL 87 1HG1 VAL 87 -2.879 2.563 -8.687 677 HG12 VAL 87 2HG1 VAL 87 -4.209 1.419 -8.474 678 HG13 VAL 87 3HG1 VAL 87 -3.189 1.327 -9.910 679 HG21 VAL 87 3HG2 VAL 87 -3.764 -0.877 -7.654 680 HG22 VAL 87 1HG2 VAL 87 -2.108 -1.494 -7.663 681 HG23 VAL 87 2HG2 VAL 87 -2.925 -1.152 -9.187 682 H VAL 88 H VAL 88 -0.608 2.859 -10.040 683 HA VAL 88 HA VAL 88 0.873 4.177 -7.861 684 HB VAL 88 HB VAL 88 1.459 4.832 -10.715 685 HG11 VAL 88 1HG1 VAL 88 3.065 4.853 -8.167 686 HG12 VAL 88 2HG1 VAL 88 2.418 6.251 -9.026 687 HG13 VAL 88 3HG1 VAL 88 3.701 5.282 -9.754 688 HG21 VAL 88 3HG2 VAL 88 2.816 2.581 -9.250 689 HG22 VAL 88 1HG2 VAL 88 3.084 3.097 -10.915 690 HG23 VAL 88 2HG2 VAL 88 1.551 2.337 -10.457 691 H GLY 89 H GLY 89 -1.211 5.051 -7.290 692 HA2 GLY 89 1HA GLY 89 -1.553 7.680 -7.793 693 HA3 GLY 89 2HA GLY 89 -2.488 6.920 -9.078 694 H ALA 90 H ALA 90 -4.147 8.252 -7.753 695 HA ALA 90 HA ALA 90 -5.080 7.162 -5.302 696 HB1 ALA 90 1HB ALA 90 -6.966 8.574 -5.548 697 HB2 ALA 90 2HB ALA 90 -6.758 8.664 -7.293 698 HB3 ALA 90 3HB ALA 90 -5.602 9.460 -6.231 699 H ASN 91 H ASN 91 -5.505 5.016 -5.285 700 HA ASN 91 HA ASN 91 -7.383 4.054 -7.327 701 HB2 ASN 91 1HB ASN 91 -6.281 1.875 -7.269 702 HB3 ASN 91 2HB ASN 91 -5.149 3.140 -7.729 703 HD21 ASN 91 1HD2 ASN 91 -4.841 0.445 -6.514 704 HD22 ASN 91 2HD2 ASN 91 -3.881 0.693 -5.102 705 HA PRO 92 HA PRO 92 -9.184 2.947 -3.179 706 HB2 PRO 92 1HB PRO 92 -11.537 4.453 -4.069 707 HB3 PRO 92 2HB PRO 92 -10.627 4.603 -2.565 708 HG2 PRO 92 1HG PRO 92 -10.599 6.501 -4.505 709 HG3 PRO 92 2HG PRO 92 -9.236 6.214 -3.410 710 HD2 PRO 92 1HD PRO 92 -9.601 5.350 -6.254 711 HD3 PRO 92 2HD PRO 92 -8.137 5.919 -5.428 712 H ALA 93 H ALA 93 -10.402 3.342 -6.477 713 HA ALA 93 HA ALA 93 -12.108 0.995 -6.275 714 HB1 ALA 93 1HB ALA 93 -11.507 2.790 -8.620 715 HB2 ALA 93 2HB ALA 93 -12.921 2.876 -7.570 716 HB3 ALA 93 3HB ALA 93 -12.681 1.476 -8.613 717 H ALA 94 H ALA 94 -9.182 1.996 -8.021 718 HA ALA 94 HA ALA 94 -8.842 -0.480 -9.391 719 HB1 ALA 94 1HB ALA 94 -7.906 1.490 -10.361 720 HB2 ALA 94 2HB ALA 94 -6.586 0.393 -9.951 721 HB3 ALA 94 3HB ALA 94 -6.921 1.794 -8.935 722 H ILE 95 H ILE 95 -8.060 0.550 -6.184 723 HA ILE 95 HA ILE 95 -6.087 -1.288 -5.521 724 HB ILE 95 HB ILE 95 -7.213 0.331 -3.900 725 HG12 ILE 95 1HG1 ILE 95 -6.770 -1.040 -1.946 726 HG13 ILE 95 2HG1 ILE 95 -6.959 -2.518 -2.887 727 HG21 ILE 95 1HG2 ILE 95 -9.524 -0.321 -4.331 728 HG22 ILE 95 2HG2 ILE 95 -9.113 -0.461 -2.621 729 HG23 ILE 95 3HG2 ILE 95 -9.199 -1.912 -3.630 730 HD11 ILE 95 3HD1 ILE 95 -4.614 -1.952 -2.377 731 HD12 ILE 95 1HD1 ILE 95 -4.790 -0.470 -3.313 732 HD13 ILE 95 2HD1 ILE 95 -4.939 -2.037 -4.107 733 H LYS 96 H LYS 96 -9.526 -1.675 -6.062 734 HA LYS 96 HA LYS 96 -9.871 -4.334 -5.322 735 HB2 LYS 96 1HB LYS 96 -11.220 -2.550 -7.280 736 HB3 LYS 96 2HB LYS 96 -11.532 -4.274 -7.410 737 HG2 LYS 96 1HG LYS 96 -11.990 -2.554 -4.991 738 HG3 LYS 96 2HG LYS 96 -13.224 -3.207 -6.068 739 HD2 LYS 96 1HD LYS 96 -12.335 -5.504 -5.489 740 HD3 LYS 96 2HD LYS 96 -11.393 -4.720 -4.209 741 HE2 LYS 96 1HE LYS 96 -13.390 -3.972 -3.118 742 HE3 LYS 96 2HE LYS 96 -14.391 -4.450 -4.486 743 HZ1 LYS 96 3HZ LYS 96 -12.902 -6.272 -2.682 744 HZ2 LYS 96 1HZ LYS 96 -13.787 -6.759 -4.038 745 HZ3 LYS 96 2HZ LYS 96 -14.578 -6.052 -2.724 746 H GLN 97 H GLN 97 -8.725 -2.983 -8.361 747 HA GLN 97 HA GLN 97 -8.466 -5.248 -9.902 748 HB2 GLN 97 1HB GLN 97 -8.015 -2.875 -10.606 749 HB3 GLN 97 2HB GLN 97 -6.486 -2.956 -9.750 750 HG2 GLN 97 1HG GLN 97 -7.149 -4.903 -11.933 751 HG3 GLN 97 2HG GLN 97 -6.492 -3.310 -12.289 752 HE21 GLN 97 1HE2 GLN 97 -4.782 -3.223 -9.948 753 HE22 GLN 97 2HE2 GLN 97 -3.487 -4.336 -10.235 754 H ALA 98 H ALA 98 -6.072 -3.877 -7.645 755 HA ALA 98 HA ALA 98 -4.362 -6.189 -7.938 756 HB1 ALA 98 1HB ALA 98 -2.835 -5.031 -6.431 757 HB2 ALA 98 2HB ALA 98 -4.101 -3.874 -6.012 758 HB3 ALA 98 3HB ALA 98 -3.442 -3.903 -7.645 759 H ILE 99 H ILE 99 -6.768 -5.136 -5.771 760 HA ILE 99 HA ILE 99 -5.918 -6.664 -3.517 761 HB ILE 99 HB ILE 99 -7.545 -4.477 -3.840 762 HG12 ILE 99 1HG1 ILE 99 -6.238 -5.282 -1.845 763 HG13 ILE 99 2HG1 ILE 99 -7.786 -4.520 -1.474 764 HG21 ILE 99 1HG2 ILE 99 -9.400 -6.018 -4.548 765 HG22 ILE 99 2HG2 ILE 99 -9.743 -4.867 -3.255 766 HG23 ILE 99 3HG2 ILE 99 -9.435 -6.566 -2.870 767 HD11 ILE 99 3HD1 ILE 99 -8.750 -6.495 -0.842 768 HD12 ILE 99 1HD1 ILE 99 -7.082 -6.776 -0.339 769 HD13 ILE 99 2HD1 ILE 99 -7.683 -7.464 -1.863 770 H ALA 100 H ALA 100 -8.307 -7.035 -6.039 771 HA ALA 100 HA ALA 100 -9.360 -9.440 -4.832 772 HB1 ALA 100 1HB ALA 100 -10.076 -8.129 -7.456 773 HB2 ALA 100 2HB ALA 100 -10.911 -7.894 -5.921 774 HB3 ALA 100 3HB ALA 100 -10.935 -9.474 -6.706 775 H ALA 101 H ALA 101 -7.440 -8.490 -7.646 776 HA ALA 101 HA ALA 101 -7.358 -11.082 -8.795 777 HB1 ALA 101 1HB ALA 101 -5.631 -10.198 -10.251 778 HB2 ALA 101 2HB ALA 101 -5.454 -8.783 -9.213 779 HB3 ALA 101 3HB ALA 101 -6.958 -9.045 -10.098 780 H ASN 102 H ASN 102 -5.314 -9.408 -6.446 781 HA ASN 102 HA ASN 102 -3.534 -11.764 -6.507 782 HB2 ASN 102 1HB ASN 102 -2.960 -9.039 -5.345 783 HB3 ASN 102 2HB ASN 102 -1.829 -10.387 -5.448 784 HD21 ASN 102 1HD2 ASN 102 -3.400 -7.848 -7.106 785 HD22 ASN 102 2HD2 ASN 102 -2.554 -7.995 -8.610 786 H ALA 103 H ALA 103 -4.310 -9.402 -3.977 787 HA ALA 103 HA ALA 103 -3.850 -10.915 -1.770 788 HB1 ALA 103 1HB ALA 103 -4.442 -8.524 -1.717 789 HB2 ALA 103 2HB ALA 103 -5.347 -9.459 -0.524 790 HB3 ALA 103 3HB ALA 103 -6.124 -8.950 -2.024 Start of MODEL 19 1 H1 MET 1 1H MET 1 -9.399 -2.152 10.236 2 H2 MET 1 2H MET 1 -8.316 -3.320 9.675 3 H3 MET 1 3H MET 1 -8.749 -2.024 8.678 4 HA MET 1 HA MET 1 -7.696 -0.478 10.165 5 HB2 MET 1 1HB MET 1 -6.391 -1.222 12.052 6 HB3 MET 1 2HB MET 1 -8.025 -1.837 12.228 7 HG2 MET 1 1HG MET 1 -5.685 -3.433 11.203 8 HG3 MET 1 2HG MET 1 -6.277 -3.460 12.860 9 HE1 MET 1 3HE MET 1 -8.542 -4.517 13.619 10 HE2 MET 1 1HE MET 1 -9.770 -5.132 12.512 11 HE3 MET 1 2HE MET 1 -9.413 -3.407 12.561 12 H VAL 2 H VAL 2 -5.804 0.235 9.387 13 HA VAL 2 HA VAL 2 -4.029 -1.734 8.128 14 HB VAL 2 HB VAL 2 -4.597 -0.797 6.196 15 HG11 VAL 2 1HG1 VAL 2 -5.688 1.351 5.898 16 HG12 VAL 2 2HG1 VAL 2 -5.455 1.707 7.611 17 HG13 VAL 2 3HG1 VAL 2 -6.496 0.367 7.119 18 HG21 VAL 2 3HG2 VAL 2 -3.246 1.065 5.473 19 HG22 VAL 2 1HG2 VAL 2 -2.301 0.033 6.542 20 HG23 VAL 2 2HG2 VAL 2 -2.966 1.549 7.147 21 H THR 3 H THR 3 -1.918 -1.584 8.488 22 HA THR 3 HA THR 3 -1.127 -0.039 10.796 23 HB THR 3 HB THR 3 -0.226 -2.456 9.402 24 HG1 THR 3 1HG THR 3 -0.927 -2.884 11.372 25 HG21 THR 3 3HG2 THR 3 1.724 -0.966 9.012 26 HG22 THR 3 1HG2 THR 3 2.091 -2.359 10.045 27 HG23 THR 3 2HG2 THR 3 1.865 -0.764 10.766 28 H GLN 4 H GLN 4 0.531 1.432 10.910 29 HA GLN 4 HA GLN 4 1.650 2.342 8.356 30 HB2 GLN 4 1HB GLN 4 2.333 4.369 9.891 31 HB3 GLN 4 2HB GLN 4 0.723 4.259 9.201 32 HG2 GLN 4 1HG GLN 4 0.278 4.855 11.368 33 HG3 GLN 4 2HG GLN 4 0.103 3.103 11.424 34 HE21 GLN 4 1HE2 GLN 4 3.232 4.713 11.313 35 HE22 GLN 4 2HE2 GLN 4 3.690 4.311 12.927 36 H PHE 5 H PHE 5 3.669 1.811 7.937 37 HA PHE 5 HA PHE 5 5.375 0.653 9.935 38 HB2 PHE 5 1HB PHE 5 5.856 1.392 7.048 39 HB3 PHE 5 2HB PHE 5 7.123 0.752 8.081 40 HD1 PHE 5 2HD PHE 5 5.401 -1.259 9.585 41 HD2 PHE 5 1HD PHE 5 5.766 -0.318 5.450 42 HE1 PHE 5 2HE PHE 5 4.737 -3.552 9.004 43 HE2 PHE 5 1HE PHE 5 5.107 -2.616 4.864 44 HZ PHE 5 HZ PHE 5 4.593 -4.232 6.646 45 H LYS 6 H LYS 6 7.608 1.460 10.269 46 HA LYS 6 HA LYS 6 7.632 4.389 10.381 47 HB2 LYS 6 1HB LYS 6 8.899 4.195 12.500 48 HB3 LYS 6 2HB LYS 6 7.264 3.544 12.596 49 HG2 LYS 6 1HG LYS 6 8.126 1.295 12.396 50 HG3 LYS 6 2HG LYS 6 9.766 1.907 12.206 51 HD2 LYS 6 1HD LYS 6 9.520 1.182 14.471 52 HD3 LYS 6 2HD LYS 6 9.561 2.945 14.473 53 HE2 LYS 6 1HE LYS 6 7.842 2.240 15.978 54 HE3 LYS 6 2HE LYS 6 7.070 2.932 14.554 55 HZ1 LYS 6 3HZ LYS 6 7.419 0.033 15.102 56 HZ2 LYS 6 1HZ LYS 6 6.686 0.688 13.727 57 HZ3 LYS 6 2HZ LYS 6 5.974 0.898 15.243 58 H THR 7 H THR 7 9.339 1.527 9.500 59 HA THR 7 HA THR 7 11.550 3.207 8.583 60 HB THR 7 HB THR 7 13.131 1.352 8.971 61 HG1 THR 7 1HG THR 7 11.864 0.003 10.855 62 HG21 THR 7 3HG2 THR 7 13.334 1.644 11.402 63 HG22 THR 7 1HG2 THR 7 11.719 2.349 11.446 64 HG23 THR 7 2HG2 THR 7 13.017 3.174 10.584 65 H ALA 8 H ALA 8 12.595 2.560 6.658 66 HA ALA 8 HA ALA 8 11.104 1.264 4.674 67 HB1 ALA 8 1HB ALA 8 13.122 1.198 3.387 68 HB2 ALA 8 2HB ALA 8 14.124 1.306 4.832 69 HB3 ALA 8 3HB ALA 8 13.160 2.690 4.328 70 H SER 9 H SER 9 13.385 0.118 7.075 71 HA SER 9 HA SER 9 13.705 -2.529 6.291 72 HB2 SER 9 1HB SER 9 14.959 -1.336 8.127 73 HB3 SER 9 2HB SER 9 13.542 -1.554 9.150 74 HG SER 9 HG SER 9 15.068 -3.615 7.926 75 H GLU 10 H GLU 10 11.169 -1.001 8.273 76 HA GLU 10 HA GLU 10 9.786 -3.359 8.955 77 HB2 GLU 10 1HB GLU 10 8.899 -0.510 8.575 78 HB3 GLU 10 2HB GLU 10 7.752 -1.773 8.999 79 HG2 GLU 10 1HG GLU 10 10.205 -1.102 10.601 80 HG3 GLU 10 2HG GLU 10 8.591 -0.472 10.928 81 H PHE 11 H PHE 11 9.553 -1.247 6.163 82 HA PHE 11 HA PHE 11 7.403 -2.581 4.903 83 HB2 PHE 11 1HB PHE 11 7.671 -0.425 4.143 84 HB3 PHE 11 2HB PHE 11 9.427 -0.531 4.118 85 HD1 PHE 11 2HD PHE 11 6.349 -1.468 2.312 86 HD2 PHE 11 1HD PHE 11 10.586 -1.149 2.181 87 HE1 PHE 11 2HE PHE 11 6.291 -1.861 -0.114 88 HE2 PHE 11 1HE PHE 11 10.539 -1.546 -0.252 89 HZ PHE 11 HZ PHE 11 8.391 -1.903 -1.399 90 H ASP 12 H ASP 12 10.925 -2.704 4.296 91 HA ASP 12 HA ASP 12 10.795 -4.497 2.163 92 HB2 ASP 12 1HB ASP 12 12.969 -3.697 4.062 93 HB3 ASP 12 2HB ASP 12 13.238 -4.960 2.876 94 H SER 13 H SER 13 11.063 -5.059 5.634 95 HA SER 13 HA SER 13 11.529 -7.855 5.385 96 HB2 SER 13 1HB SER 13 10.428 -6.324 7.754 97 HB3 SER 13 2HB SER 13 11.134 -7.940 7.791 98 HG SER 13 HG SER 13 12.372 -5.447 7.477 99 H ALA 14 H ALA 14 8.648 -5.858 5.611 100 HA ALA 14 HA ALA 14 6.821 -7.991 6.059 101 HB1 ALA 14 1HB ALA 14 6.410 -5.247 4.888 102 HB2 ALA 14 2HB ALA 14 6.108 -5.756 6.551 103 HB3 ALA 14 3HB ALA 14 5.103 -6.379 5.235 104 H ILE 15 H ILE 15 7.870 -6.263 3.143 105 HA ILE 15 HA ILE 15 6.180 -7.701 1.395 106 HB ILE 15 HB ILE 15 7.518 -6.757 -0.418 107 HG12 ILE 15 1HG1 ILE 15 9.269 -5.510 1.688 108 HG13 ILE 15 2HG1 ILE 15 9.702 -7.015 0.890 109 HG21 ILE 15 1HG2 ILE 15 7.123 -4.404 0.083 110 HG22 ILE 15 2HG2 ILE 15 6.994 -4.781 1.800 111 HG23 ILE 15 3HG2 ILE 15 5.790 -5.398 0.671 112 HD11 ILE 15 3HD1 ILE 15 9.269 -4.353 -0.439 113 HD12 ILE 15 1HD1 ILE 15 9.654 -5.859 -1.270 114 HD13 ILE 15 2HD1 ILE 15 10.818 -5.148 -0.152 115 H ALA 16 H ALA 16 9.216 -8.448 2.854 116 HA ALA 16 HA ALA 16 9.959 -10.477 0.948 117 HB1 ALA 16 1HB ALA 16 10.973 -10.086 3.754 118 HB2 ALA 16 2HB ALA 16 11.605 -9.240 2.341 119 HB3 ALA 16 3HB ALA 16 11.751 -10.995 2.458 120 H GLN 17 H GLN 17 7.648 -10.295 3.323 121 HA GLN 17 HA GLN 17 7.821 -12.977 4.306 122 HB2 GLN 17 1HB GLN 17 5.616 -10.916 4.444 123 HB3 GLN 17 2HB GLN 17 5.525 -12.493 5.211 124 HG2 GLN 17 1HG GLN 17 7.418 -11.958 6.616 125 HG3 GLN 17 2HG GLN 17 7.614 -10.408 5.798 126 HE21 GLN 17 1HE2 GLN 17 7.353 -9.271 7.726 127 HE22 GLN 17 2HE2 GLN 17 5.806 -9.101 8.484 128 H ASP 18 H ASP 18 6.258 -14.645 3.879 129 HA ASP 18 HA ASP 18 5.800 -14.880 1.041 130 HB2 ASP 18 1HB ASP 18 5.426 -16.753 3.361 131 HB3 ASP 18 2HB ASP 18 4.972 -17.193 1.721 132 H LYS 19 H LYS 19 4.190 -12.923 2.308 133 HA LYS 19 HA LYS 19 1.529 -13.982 1.662 134 HB2 LYS 19 1HB LYS 19 0.477 -12.837 3.405 135 HB3 LYS 19 2HB LYS 19 1.737 -13.840 4.107 136 HG2 LYS 19 1HG LYS 19 3.054 -12.000 4.662 137 HG3 LYS 19 2HG LYS 19 2.218 -10.949 3.510 138 HD2 LYS 19 1HD LYS 19 1.718 -10.862 6.127 139 HD3 LYS 19 2HD LYS 19 0.466 -10.562 4.917 140 HE2 LYS 19 1HE LYS 19 -0.151 -12.956 5.020 141 HE3 LYS 19 2HE LYS 19 1.029 -13.171 6.321 142 HZ1 LYS 19 3HZ LYS 19 -0.209 -11.590 7.670 143 HZ2 LYS 19 1HZ LYS 19 -1.194 -12.885 7.208 144 HZ3 LYS 19 2HZ LYS 19 -1.350 -11.390 6.437 145 H LEU 20 H LEU 20 -0.016 -11.984 1.759 146 HA LEU 20 HA LEU 20 0.906 -10.256 -0.390 147 HB2 LEU 20 1HB LEU 20 -1.388 -11.407 -0.242 148 HB3 LEU 20 2HB LEU 20 -1.785 -10.217 0.974 149 HG LEU 20 HG LEU 20 -2.739 -9.590 -1.157 150 HD11 LEU 20 1HD1 LEU 20 -2.080 -7.766 0.263 151 HD12 LEU 20 2HD1 LEU 20 -1.831 -7.338 -1.428 152 HD13 LEU 20 3HD1 LEU 20 -0.455 -7.782 -0.417 153 HD21 LEU 20 3HD2 LEU 20 -1.444 -9.108 -3.114 154 HD22 LEU 20 1HD2 LEU 20 -1.112 -10.761 -2.594 155 HD23 LEU 20 2HD2 LEU 20 0.056 -9.481 -2.259 156 H VAL 21 H VAL 21 2.148 -8.577 0.283 157 HA VAL 21 HA VAL 21 1.071 -6.971 2.506 158 HB VAL 21 HB VAL 21 3.928 -7.114 1.499 159 HG11 VAL 21 1HG1 VAL 21 2.768 -5.394 3.698 160 HG12 VAL 21 2HG1 VAL 21 3.269 -4.807 2.108 161 HG13 VAL 21 3HG1 VAL 21 4.468 -5.482 3.220 162 HG21 VAL 21 3HG2 VAL 21 3.262 -8.990 2.906 163 HG22 VAL 21 1HG2 VAL 21 2.666 -7.875 4.137 164 HG23 VAL 21 2HG2 VAL 21 4.390 -7.939 3.765 165 H VAL 22 H VAL 22 -0.182 -5.442 1.675 166 HA VAL 22 HA VAL 22 0.793 -3.964 -0.644 167 HB VAL 22 HB VAL 22 -1.311 -4.493 -1.281 168 HG11 VAL 22 1HG1 VAL 22 -2.240 -4.301 1.561 169 HG12 VAL 22 2HG1 VAL 22 -1.899 -5.774 0.652 170 HG13 VAL 22 3HG1 VAL 22 -3.244 -4.740 0.177 171 HG21 VAL 22 3HG2 VAL 22 -1.220 -2.073 -1.287 172 HG22 VAL 22 1HG2 VAL 22 -1.849 -2.030 0.359 173 HG23 VAL 22 2HG2 VAL 22 -2.859 -2.634 -0.955 174 H VAL 23 H VAL 23 2.068 -2.385 -0.056 175 HA VAL 23 HA VAL 23 1.312 -0.678 2.215 176 HB VAL 23 HB VAL 23 3.954 -0.865 0.755 177 HG11 VAL 23 1HG1 VAL 23 4.842 0.489 2.582 178 HG12 VAL 23 2HG1 VAL 23 3.222 0.633 3.264 179 HG13 VAL 23 3HG1 VAL 23 3.583 1.348 1.693 180 HG21 VAL 23 3HG2 VAL 23 2.931 -2.134 3.259 181 HG22 VAL 23 1HG2 VAL 23 4.646 -1.771 3.076 182 HG23 VAL 23 2HG2 VAL 23 3.846 -2.847 1.933 183 H ALA 24 H ALA 24 0.727 1.404 1.926 184 HA ALA 24 HA ALA 24 1.345 2.689 -0.662 185 HB1 ALA 24 1HB ALA 24 -1.019 2.565 -0.524 186 HB2 ALA 24 2HB ALA 24 -0.588 4.236 -0.145 187 HB3 ALA 24 3HB ALA 24 -1.023 3.112 1.146 188 H PHE 25 H PHE 25 2.945 3.987 -0.494 189 HA PHE 25 HA PHE 25 3.824 5.219 1.921 190 HB2 PHE 25 1HB PHE 25 4.445 5.763 -0.986 191 HB3 PHE 25 2HB PHE 25 5.314 6.490 0.366 192 HD1 PHE 25 1HD PHE 25 6.694 5.088 1.831 193 HD2 PHE 25 2HD PHE 25 4.856 3.530 -1.673 194 HE1 PHE 25 1HE PHE 25 8.191 3.134 1.908 195 HE2 PHE 25 2HE PHE 25 6.364 1.584 -1.608 196 HZ PHE 25 HZ PHE 25 8.025 1.382 0.194 197 H TYR 26 H TYR 26 2.756 6.883 2.902 198 HA TYR 26 HA TYR 26 0.939 8.369 1.155 199 HB2 TYR 26 1HB TYR 26 0.194 6.420 2.970 200 HB3 TYR 26 2HB TYR 26 -0.177 7.945 3.788 201 HD1 TYR 26 2HD TYR 26 -0.299 6.548 0.400 202 HD2 TYR 26 1HD TYR 26 -2.304 8.795 3.384 203 HE1 TYR 26 2HE TYR 26 -2.155 6.935 -1.148 204 HE2 TYR 26 1HE TYR 26 -4.156 9.201 1.850 205 HH TYR 26 HH TYR 26 -4.461 7.576 -1.164 206 H ALA 27 H ALA 27 0.063 10.283 1.885 207 HA ALA 27 HA ALA 27 1.166 11.558 4.242 208 HB1 ALA 27 1HB ALA 27 1.359 12.781 1.481 209 HB2 ALA 27 2HB ALA 27 2.711 12.230 2.469 210 HB3 ALA 27 3HB ALA 27 1.739 13.604 2.995 211 H THR 28 H THR 28 -0.359 12.955 5.146 212 HA THR 28 HA THR 28 -3.029 12.464 4.163 213 HB THR 28 HB THR 28 -3.541 13.834 6.359 214 HG1 THR 28 1HG THR 28 -1.733 14.425 7.292 215 HG21 THR 28 3HG2 THR 28 -3.377 11.741 7.635 216 HG22 THR 28 1HG2 THR 28 -2.368 11.049 6.366 217 HG23 THR 28 2HG2 THR 28 -4.048 11.468 6.028 218 H TRP 29 H TRP 29 -0.852 14.881 3.534 219 HA TRP 29 HA TRP 29 -2.742 17.074 3.714 220 HB2 TRP 29 1HB TRP 29 -0.753 18.420 2.856 221 HB3 TRP 29 2HB TRP 29 -0.605 17.697 4.451 222 HD1 TRP 29 HD TRP 29 0.248 16.411 0.879 223 HE1 TRP 29 1HE TRP 29 2.626 15.418 0.940 224 HE3 TRP 29 3HE TRP 29 1.351 17.271 5.789 225 HZ2 TRP 29 2HZ TRP 29 4.689 15.048 2.828 226 HZ3 TRP 29 3HZ TRP 29 3.547 16.570 6.646 227 HH2 TRP 29 HH TRP 29 5.180 15.486 5.195 228 H CYS 30 H CYS 30 -3.946 15.556 1.968 229 HA CYS 30 HA CYS 30 -3.718 17.054 -0.485 230 HB2 CYS 30 1HB CYS 30 -3.358 15.157 -1.957 231 HB3 CYS 30 2HB CYS 30 -2.025 15.319 -0.827 232 H GLY 31 H GLY 31 -5.276 15.912 -2.213 233 HA2 GLY 31 1HA GLY 31 -7.866 15.631 -0.951 234 HA3 GLY 31 2HA GLY 31 -7.539 15.677 -2.674 235 HA PRO 32 HA PRO 32 -7.517 11.265 -3.328 236 HB2 PRO 32 1HB PRO 32 -4.569 11.029 -2.878 237 HB3 PRO 32 2HB PRO 32 -5.565 10.363 -4.180 238 HG2 PRO 32 1HG PRO 32 -4.071 12.505 -4.620 239 HG3 PRO 32 2HG PRO 32 -5.712 12.404 -5.287 240 HD2 PRO 32 1HD PRO 32 -4.703 13.973 -2.959 241 HD3 PRO 32 2HD PRO 32 -5.951 14.392 -4.146 242 H CYS 33 H CYS 33 -5.203 12.112 -0.769 243 HA CYS 33 HA CYS 33 -5.369 9.739 0.669 244 HB2 CYS 33 1HB CYS 33 -4.762 11.391 2.647 245 HB3 CYS 33 2HB CYS 33 -3.602 11.021 1.376 246 H LYS 34 H LYS 34 -7.436 12.563 0.728 247 HA LYS 34 HA LYS 34 -8.901 11.931 3.042 248 HB2 LYS 34 1HB LYS 34 -9.803 13.395 0.555 249 HB3 LYS 34 2HB LYS 34 -10.656 13.384 2.092 250 HG2 LYS 34 1HG LYS 34 -8.832 14.539 3.163 251 HG3 LYS 34 2HG LYS 34 -7.874 14.458 1.683 252 HD2 LYS 34 1HD LYS 34 -8.875 16.663 1.940 253 HD3 LYS 34 2HD LYS 34 -9.547 15.837 0.533 254 HE2 LYS 34 1HE LYS 34 -11.283 16.981 1.821 255 HE3 LYS 34 2HE LYS 34 -11.529 15.237 1.812 256 HZ1 LYS 34 3HZ LYS 34 -10.574 15.117 4.019 257 HZ2 LYS 34 1HZ LYS 34 -11.873 16.199 4.009 258 HZ3 LYS 34 2HZ LYS 34 -10.286 16.782 4.023 259 H MET 35 H MET 35 -9.390 11.077 -0.373 260 HA MET 35 HA MET 35 -11.903 9.805 0.198 261 HB2 MET 35 1HB MET 35 -11.914 9.167 -2.169 262 HB3 MET 35 2HB MET 35 -11.644 10.885 -1.926 263 HG2 MET 35 1HG MET 35 -9.210 10.445 -2.236 264 HG3 MET 35 2HG MET 35 -9.633 8.793 -2.671 265 HE1 MET 35 3HE MET 35 -11.875 9.463 -5.879 266 HE2 MET 35 1HE MET 35 -12.448 9.429 -4.212 267 HE3 MET 35 2HE MET 35 -11.283 8.231 -4.768 268 H ILE 36 H ILE 36 -8.660 8.487 -0.619 269 HA ILE 36 HA ILE 36 -9.772 5.845 -0.602 270 HB ILE 36 HB ILE 36 -7.985 5.315 -1.766 271 HG12 ILE 36 1HG1 ILE 36 -7.295 4.685 0.681 272 HG13 ILE 36 2HG1 ILE 36 -6.170 4.460 -0.631 273 HG21 ILE 36 1HG2 ILE 36 -6.568 7.812 -0.892 274 HG22 ILE 36 2HG2 ILE 36 -7.676 7.690 -2.257 275 HG23 ILE 36 3HG2 ILE 36 -6.162 6.784 -2.269 276 HD11 ILE 36 3HD1 ILE 36 -5.072 5.375 1.304 277 HD12 ILE 36 1HD1 ILE 36 -6.209 6.723 1.346 278 HD13 ILE 36 2HD1 ILE 36 -5.072 6.569 0.007 279 H ALA 37 H ALA 37 -8.488 7.918 1.859 280 HA ALA 37 HA ALA 37 -7.521 6.010 3.630 281 HB1 ALA 37 1HB ALA 37 -7.195 8.400 3.985 282 HB2 ALA 37 2HB ALA 37 -7.872 7.619 5.418 283 HB3 ALA 37 3HB ALA 37 -8.908 8.583 4.370 284 HA PRO 38 HA PRO 38 -12.018 5.276 5.282 285 HB2 PRO 38 1HB PRO 38 -13.680 6.221 3.037 286 HB3 PRO 38 2HB PRO 38 -13.917 6.426 4.775 287 HG2 PRO 38 1HG PRO 38 -13.185 8.475 3.223 288 HG3 PRO 38 2HG PRO 38 -12.557 8.293 4.872 289 HD2 PRO 38 1HD PRO 38 -11.246 7.626 2.261 290 HD3 PRO 38 2HD PRO 38 -10.567 8.427 3.689 291 H MET 39 H MET 39 -11.502 5.256 1.731 292 HA MET 39 HA MET 39 -12.942 2.859 1.280 293 HB2 MET 39 1HB MET 39 -10.714 4.112 -0.314 294 HB3 MET 39 2HB MET 39 -11.640 2.725 -0.860 295 HG2 MET 39 1HG MET 39 -12.723 5.470 -0.275 296 HG3 MET 39 2HG MET 39 -12.463 4.763 -1.869 297 HE1 MET 39 3HE MET 39 -16.338 4.800 -1.757 298 HE2 MET 39 1HE MET 39 -14.899 5.159 -2.710 299 HE3 MET 39 2HE MET 39 -15.206 6.038 -1.213 300 H ILE 40 H ILE 40 -9.366 3.247 1.386 301 HA ILE 40 HA ILE 40 -8.747 0.536 1.373 302 HB ILE 40 HB ILE 40 -7.272 2.874 2.622 303 HG12 ILE 40 1HG1 ILE 40 -7.692 2.763 0.129 304 HG13 ILE 40 2HG1 ILE 40 -6.027 2.963 0.660 305 HG21 ILE 40 1HG2 ILE 40 -6.560 0.841 3.732 306 HG22 ILE 40 2HG2 ILE 40 -5.294 1.423 2.651 307 HG23 ILE 40 3HG2 ILE 40 -6.302 0.056 2.175 308 HD11 ILE 40 3HD1 ILE 40 -6.449 1.393 -1.241 309 HD12 ILE 40 1HD1 ILE 40 -7.180 0.308 -0.056 310 HD13 ILE 40 2HD1 ILE 40 -5.480 0.777 0.109 311 H GLU 41 H GLU 41 -9.697 2.633 4.042 312 HA GLU 41 HA GLU 41 -9.247 0.892 6.184 313 HB2 GLU 41 1HB GLU 41 -9.893 3.246 6.457 314 HB3 GLU 41 2HB GLU 41 -11.481 2.900 5.791 315 HG2 GLU 41 1HG GLU 41 -11.614 3.078 8.182 316 HG3 GLU 41 2HG GLU 41 -11.937 1.417 7.690 317 H LYS 42 H LYS 42 -12.139 1.255 4.097 318 HA LYS 42 HA LYS 42 -13.646 -0.745 5.386 319 HB2 LYS 42 1HB LYS 42 -14.630 0.940 3.894 320 HB3 LYS 42 2HB LYS 42 -13.768 0.242 2.530 321 HG2 LYS 42 1HG LYS 42 -15.083 -1.930 3.381 322 HG3 LYS 42 2HG LYS 42 -16.207 -0.674 3.909 323 HD2 LYS 42 1HD LYS 42 -15.102 -0.994 1.128 324 HD3 LYS 42 2HD LYS 42 -16.718 -1.477 1.645 325 HE2 LYS 42 1HE LYS 42 -15.619 1.332 1.680 326 HE3 LYS 42 2HE LYS 42 -16.722 0.683 0.472 327 HZ1 LYS 42 3HZ LYS 42 -18.334 0.298 2.277 328 HZ2 LYS 42 1HZ LYS 42 -17.949 1.934 2.074 329 HZ3 LYS 42 2HZ LYS 42 -17.284 1.065 3.359 330 H PHE 43 H PHE 43 -11.584 -0.820 2.533 331 HA PHE 43 HA PHE 43 -11.959 -3.519 1.887 332 HB2 PHE 43 1HB PHE 43 -9.589 -1.754 1.282 333 HB3 PHE 43 2HB PHE 43 -9.977 -3.272 0.488 334 HD1 PHE 43 2HD PHE 43 -13.071 -1.941 0.991 335 HD2 PHE 43 1HD PHE 43 -9.560 -1.216 -1.306 336 HE1 PHE 43 2HE PHE 43 -14.407 -0.689 -0.657 337 HE2 PHE 43 1HE PHE 43 -10.891 0.048 -2.937 338 HZ PHE 43 HZ PHE 43 -13.314 0.309 -2.618 339 H SER 44 H SER 44 -10.209 -2.040 4.394 340 HA SER 44 HA SER 44 -8.352 -4.232 4.756 341 HB2 SER 44 1HB SER 44 -7.250 -2.899 6.349 342 HB3 SER 44 2HB SER 44 -7.874 -1.715 5.202 343 HG SER 44 HG SER 44 -9.636 -1.368 6.635 344 H GLU 45 H GLU 45 -11.484 -3.311 5.636 345 HA GLU 45 HA GLU 45 -11.617 -5.249 7.808 346 HB2 GLU 45 1HB GLU 45 -13.001 -3.163 7.824 347 HB3 GLU 45 2HB GLU 45 -13.870 -3.775 6.425 348 HG2 GLU 45 1HG GLU 45 -15.116 -4.139 8.482 349 HG3 GLU 45 2HG GLU 45 -14.671 -5.666 7.723 350 H GLN 46 H GLN 46 -11.892 -5.130 4.395 351 HA GLN 46 HA GLN 46 -13.050 -7.827 4.409 352 HB2 GLN 46 1HB GLN 46 -13.838 -7.085 2.010 353 HB3 GLN 46 2HB GLN 46 -14.792 -6.740 3.442 354 HG2 GLN 46 1HG GLN 46 -14.443 -4.533 3.303 355 HG3 GLN 46 2HG GLN 46 -12.799 -4.705 2.699 356 HE21 GLN 46 1HE2 GLN 46 -13.606 -6.488 0.530 357 HE22 GLN 46 2HE2 GLN 46 -14.403 -5.502 -0.640 358 H TYR 47 H TYR 47 -10.169 -7.050 4.263 359 HA TYR 47 HA TYR 47 -9.636 -8.555 1.784 360 HB2 TYR 47 1HB TYR 47 -7.325 -7.802 1.869 361 HB3 TYR 47 2HB TYR 47 -8.426 -6.438 1.877 362 HD1 TYR 47 1HD TYR 47 -8.741 -7.538 5.077 363 HD2 TYR 47 2HD TYR 47 -5.781 -5.749 2.595 364 HE1 TYR 47 1HE TYR 47 -7.575 -6.672 7.061 365 HE2 TYR 47 2HE TYR 47 -4.676 -4.908 4.509 366 HH TYR 47 HH TYR 47 -5.338 -4.287 6.981 367 HA PRO 48 HA PRO 48 -9.907 -11.657 5.058 368 HB2 PRO 48 1HB PRO 48 -9.508 -13.443 2.712 369 HB3 PRO 48 2HB PRO 48 -10.708 -13.531 4.004 370 HG2 PRO 48 1HG PRO 48 -11.379 -12.655 1.585 371 HG3 PRO 48 2HG PRO 48 -12.056 -11.914 3.046 372 HD2 PRO 48 1HD PRO 48 -9.947 -10.894 1.205 373 HD3 PRO 48 2HD PRO 48 -11.187 -10.003 2.111 374 H GLN 49 H GLN 49 -7.491 -12.064 2.429 375 HA GLN 49 HA GLN 49 -5.747 -13.240 4.489 376 HB2 GLN 49 1HB GLN 49 -4.649 -14.572 2.850 377 HB3 GLN 49 2HB GLN 49 -6.381 -14.816 2.703 378 HG2 GLN 49 1HG GLN 49 -6.489 -13.548 0.719 379 HG3 GLN 49 2HG GLN 49 -4.854 -12.920 0.949 380 HE21 GLN 49 1HE2 GLN 49 -3.093 -14.274 0.585 381 HE22 GLN 49 2HE2 GLN 49 -3.234 -15.717 -0.355 382 H ALA 50 H ALA 50 -6.066 -10.354 3.202 383 HA ALA 50 HA ALA 50 -3.249 -10.042 2.452 384 HB1 ALA 50 1HB ALA 50 -3.852 -8.111 1.212 385 HB2 ALA 50 2HB ALA 50 -5.468 -8.090 1.909 386 HB3 ALA 50 3HB ALA 50 -5.010 -9.371 0.791 387 H ASP 51 H ASP 51 -2.275 -7.966 3.071 388 HA ASP 51 HA ASP 51 -3.367 -6.896 5.570 389 HB2 ASP 51 1HB ASP 51 -1.223 -8.541 5.614 390 HB3 ASP 51 2HB ASP 51 -0.406 -6.991 5.366 391 H PHE 52 H PHE 52 -3.595 -4.808 5.538 392 HA PHE 52 HA PHE 52 -2.504 -3.279 3.327 393 HB2 PHE 52 1HB PHE 52 -4.764 -2.940 5.200 394 HB3 PHE 52 2HB PHE 52 -3.947 -1.463 4.717 395 HD1 PHE 52 1HD PHE 52 -3.324 -1.974 1.898 396 HD2 PHE 52 2HD PHE 52 -6.771 -2.912 4.187 397 HE1 PHE 52 1HE PHE 52 -4.709 -1.847 -0.136 398 HE2 PHE 52 2HE PHE 52 -8.159 -2.792 2.188 399 HZ PHE 52 HZ PHE 52 -7.136 -2.259 0.005 400 H TYR 53 H TYR 53 -0.772 -1.904 3.621 401 HA TYR 53 HA TYR 53 -0.528 -0.738 6.311 402 HB2 TYR 53 1HB TYR 53 1.873 -1.279 4.563 403 HB3 TYR 53 2HB TYR 53 1.842 -0.832 6.267 404 HD1 TYR 53 1HD TYR 53 1.037 -3.615 3.924 405 HD2 TYR 53 2HD TYR 53 1.843 -2.473 7.933 406 HE1 TYR 53 1HE TYR 53 1.216 -5.982 4.562 407 HE2 TYR 53 2HE TYR 53 2.030 -4.833 8.580 408 HH TYR 53 HH TYR 53 2.220 -7.351 6.263 409 H LYS 54 H LYS 54 -0.334 1.428 6.351 410 HA LYS 54 HA LYS 54 0.117 2.820 3.781 411 HB2 LYS 54 1HB LYS 54 -2.189 2.962 5.513 412 HB3 LYS 54 2HB LYS 54 -1.409 4.531 5.424 413 HG2 LYS 54 1HG LYS 54 -2.493 4.886 3.525 414 HG3 LYS 54 2HG LYS 54 -1.512 3.624 2.791 415 HD2 LYS 54 1HD LYS 54 -3.904 3.194 2.403 416 HD3 LYS 54 2HD LYS 54 -3.181 1.951 3.436 417 HE2 LYS 54 1HE LYS 54 -5.439 2.833 4.159 418 HE3 LYS 54 2HE LYS 54 -4.177 2.818 5.382 419 HZ1 LYS 54 3HZ LYS 54 -5.489 4.868 5.376 420 HZ2 LYS 54 1HZ LYS 54 -4.965 5.206 3.804 421 HZ3 LYS 54 2HZ LYS 54 -3.853 5.162 5.078 422 H LEU 55 H LEU 55 1.845 4.182 3.855 423 HA LEU 55 HA LEU 55 3.029 4.491 6.538 424 HB2 LEU 55 1HB LEU 55 4.423 4.983 3.938 425 HB3 LEU 55 2HB LEU 55 5.127 4.756 5.525 426 HG LEU 55 HG LEU 55 3.969 2.716 3.690 427 HD11 LEU 55 1HD1 LEU 55 6.424 2.826 5.397 428 HD12 LEU 55 2HD1 LEU 55 6.357 3.231 3.681 429 HD13 LEU 55 3HD1 LEU 55 6.033 1.577 4.212 430 HD21 LEU 55 3HD2 LEU 55 4.287 2.439 6.660 431 HD22 LEU 55 1HD2 LEU 55 4.065 1.090 5.549 432 HD23 LEU 55 2HD2 LEU 55 2.791 2.295 5.739 433 H ASP 56 H ASP 56 4.266 6.539 6.955 434 HA ASP 56 HA ASP 56 3.030 8.827 5.599 435 HB2 ASP 56 1HB ASP 56 4.039 10.165 7.463 436 HB3 ASP 56 2HB ASP 56 2.782 9.047 7.961 437 H VAL 57 H VAL 57 4.089 9.320 3.898 438 HA VAL 57 HA VAL 57 6.667 8.470 3.251 439 HB VAL 57 HB VAL 57 4.542 9.284 1.871 440 HG11 VAL 57 1HG1 VAL 57 4.801 11.651 2.519 441 HG12 VAL 57 2HG1 VAL 57 4.877 11.405 0.773 442 HG13 VAL 57 3HG1 VAL 57 6.358 11.683 1.688 443 HG21 VAL 57 3HG2 VAL 57 5.941 9.276 -0.111 444 HG22 VAL 57 1HG2 VAL 57 6.400 8.007 1.027 445 HG23 VAL 57 2HG2 VAL 57 7.374 9.475 0.898 446 H ASP 58 H ASP 58 5.720 11.073 5.188 447 HA ASP 58 HA ASP 58 7.797 12.903 4.483 448 HB2 ASP 58 1HB ASP 58 5.693 13.583 5.612 449 HB3 ASP 58 2HB ASP 58 6.227 12.735 7.061 450 H GLU 59 H GLU 59 7.410 10.309 6.808 451 HA GLU 59 HA GLU 59 10.181 10.604 7.689 452 HB2 GLU 59 1HB GLU 59 7.963 8.732 8.524 453 HB3 GLU 59 2HB GLU 59 9.609 8.602 9.125 454 HG2 GLU 59 1HG GLU 59 7.880 11.041 9.433 455 HG3 GLU 59 2HG GLU 59 8.055 9.781 10.651 456 H LEU 60 H LEU 60 8.091 8.502 5.809 457 HA LEU 60 HA LEU 60 10.351 6.757 5.175 458 HB2 LEU 60 1HB LEU 60 7.376 6.478 4.740 459 HB3 LEU 60 2HB LEU 60 8.539 5.430 3.943 460 HG LEU 60 HG LEU 60 7.706 4.265 5.843 461 HD11 LEU 60 1HD1 LEU 60 10.437 5.339 6.513 462 HD12 LEU 60 2HD1 LEU 60 10.094 3.989 5.427 463 HD13 LEU 60 3HD1 LEU 60 9.717 3.861 7.148 464 HD21 LEU 60 3HD2 LEU 60 7.840 5.126 8.124 465 HD22 LEU 60 1HD2 LEU 60 6.822 6.146 7.106 466 HD23 LEU 60 2HD2 LEU 60 8.460 6.659 7.510 467 H GLY 61 H GLY 61 10.722 9.210 4.110 468 HA2 GLY 61 1HA GLY 61 9.671 9.389 1.439 469 HA3 GLY 61 2HA GLY 61 10.931 10.396 2.136 470 H ASP 62 H ASP 62 12.681 8.321 2.903 471 HA ASP 62 HA ASP 62 14.148 8.009 0.516 472 HB2 ASP 62 1HB ASP 62 15.609 6.514 1.930 473 HB3 ASP 62 2HB ASP 62 15.334 8.121 2.594 474 H VAL 63 H VAL 63 12.226 5.706 2.417 475 HA VAL 63 HA VAL 63 12.731 3.499 0.721 476 HB VAL 63 HB VAL 63 11.925 3.094 2.964 477 HG11 VAL 63 1HG1 VAL 63 9.612 3.593 3.596 478 HG12 VAL 63 2HG1 VAL 63 9.467 4.575 2.133 479 HG13 VAL 63 3HG1 VAL 63 10.626 5.021 3.385 480 HG21 VAL 63 3HG2 VAL 63 11.354 1.418 1.315 481 HG22 VAL 63 1HG2 VAL 63 9.882 2.306 0.912 482 HG23 VAL 63 2HG2 VAL 63 10.061 1.569 2.506 483 H ALA 64 H ALA 64 10.210 5.946 0.805 484 HA ALA 64 HA ALA 64 8.568 5.008 -1.242 485 HB1 ALA 64 1HB ALA 64 7.786 7.279 -1.447 486 HB2 ALA 64 2HB ALA 64 9.213 7.880 -0.605 487 HB3 ALA 64 3HB ALA 64 8.035 6.889 0.254 488 H GLN 65 H GLN 65 11.415 7.126 -1.409 489 HA GLN 65 HA GLN 65 11.365 7.533 -4.188 490 HB2 GLN 65 1HB GLN 65 13.646 7.605 -2.205 491 HB3 GLN 65 2HB GLN 65 13.793 8.121 -3.884 492 HG2 GLN 65 1HG GLN 65 12.165 9.863 -3.534 493 HG3 GLN 65 2HG GLN 65 11.871 9.300 -1.890 494 HE21 GLN 65 1HE2 GLN 65 12.450 11.232 -0.955 495 HE22 GLN 65 2HE2 GLN 65 14.085 11.792 -0.902 496 H LYS 66 H LYS 66 12.716 4.972 -2.216 497 HA LYS 66 HA LYS 66 14.187 3.750 -4.291 498 HB2 LYS 66 1HB LYS 66 15.054 2.600 -2.607 499 HB3 LYS 66 2HB LYS 66 13.966 3.468 -1.536 500 HG2 LYS 66 1HG LYS 66 12.276 1.678 -2.032 501 HG3 LYS 66 2HG LYS 66 13.591 0.764 -2.767 502 HD2 LYS 66 1HD LYS 66 14.844 0.839 -0.686 503 HD3 LYS 66 2HD LYS 66 13.582 1.812 0.064 504 HE2 LYS 66 1HE LYS 66 13.279 -0.412 0.820 505 HE3 LYS 66 2HE LYS 66 12.006 -0.095 -0.354 506 HZ1 LYS 66 3HZ LYS 66 13.087 -1.402 -1.958 507 HZ2 LYS 66 1HZ LYS 66 13.170 -2.300 -0.523 508 HZ3 LYS 66 2HZ LYS 66 14.532 -1.458 -1.081 509 H ASN 67 H ASN 67 10.876 3.587 -3.290 510 HA ASN 67 HA ASN 67 10.385 1.361 -5.127 511 HB2 ASN 67 1HB ASN 67 8.669 2.713 -3.052 512 HB3 ASN 67 2HB ASN 67 8.009 1.576 -4.222 513 HD21 ASN 67 1HD2 ASN 67 10.091 1.974 -1.464 514 HD22 ASN 67 2HD2 ASN 67 10.210 0.292 -1.075 515 H GLU 68 H GLU 68 10.892 4.434 -5.517 516 HA GLU 68 HA GLU 68 10.433 5.986 -7.093 517 HB2 GLU 68 1HB GLU 68 9.068 3.717 -8.541 518 HB3 GLU 68 2HB GLU 68 9.653 5.214 -9.255 519 HG2 GLU 68 1HG GLU 68 11.949 4.576 -8.583 520 HG3 GLU 68 2HG GLU 68 11.313 3.031 -8.020 521 H VAL 69 H VAL 69 8.725 6.051 -4.985 522 HA VAL 69 HA VAL 69 5.982 6.112 -5.797 523 HB VAL 69 HB VAL 69 7.386 7.199 -3.360 524 HG11 VAL 69 1HG1 VAL 69 5.163 7.409 -2.345 525 HG12 VAL 69 2HG1 VAL 69 4.424 6.997 -3.894 526 HG13 VAL 69 3HG1 VAL 69 5.355 8.486 -3.729 527 HG21 VAL 69 3HG2 VAL 69 5.674 4.761 -3.794 528 HG22 VAL 69 1HG2 VAL 69 6.366 5.271 -2.254 529 HG23 VAL 69 2HG2 VAL 69 7.424 4.780 -3.577 530 H SER 70 H SER 70 5.107 7.607 -7.045 531 HA SER 70 HA SER 70 6.026 10.375 -6.791 532 HB2 SER 70 1HB SER 70 5.415 9.026 -9.382 533 HB3 SER 70 2HB SER 70 5.981 10.674 -9.179 534 HG SER 70 HG SER 70 7.595 8.856 -7.950 535 H ALA 71 H ALA 71 3.500 8.351 -6.436 536 HA ALA 71 HA ALA 71 1.560 10.459 -7.072 537 HB1 ALA 71 1HB ALA 71 1.183 7.535 -7.703 538 HB2 ALA 71 2HB ALA 71 1.482 8.815 -8.880 539 HB3 ALA 71 3HB ALA 71 -0.010 8.811 -7.940 540 H MET 72 H MET 72 -0.553 10.101 -5.972 541 HA MET 72 HA MET 72 -0.197 8.727 -3.385 542 HB2 MET 72 1HB MET 72 -1.745 11.279 -3.865 543 HB3 MET 72 2HB MET 72 -1.472 10.497 -2.317 544 HG2 MET 72 1HG MET 72 0.857 11.029 -2.385 545 HG3 MET 72 2HG MET 72 0.717 11.633 -4.036 546 HE1 MET 72 3HE MET 72 -0.797 13.708 -4.686 547 HE2 MET 72 1HE MET 72 -1.507 14.827 -3.523 548 HE3 MET 72 2HE MET 72 -2.181 13.210 -3.712 549 HA PRO 73 HA PRO 73 -0.713 7.115 -2.518 550 HB2 PRO 73 1HB PRO 73 -1.768 4.510 -3.232 551 HB3 PRO 73 2HB PRO 73 -1.726 5.275 -1.646 552 HG2 PRO 73 1HG PRO 73 -4.021 4.816 -3.035 553 HG3 PRO 73 2HG PRO 73 -3.834 6.144 -1.877 554 HD2 PRO 73 1HD PRO 73 -3.705 6.198 -4.861 555 HD3 PRO 73 2HD PRO 73 -4.427 7.371 -3.741 556 H THR 74 H THR 74 1.049 5.661 -2.953 557 HA THR 74 HA THR 74 1.035 4.469 -5.626 558 HB THR 74 HB THR 74 3.439 4.944 -3.832 559 HG1 THR 74 1HG THR 74 2.428 6.831 -4.965 560 HG21 THR 74 3HG2 THR 74 4.752 4.242 -5.785 561 HG22 THR 74 1HG2 THR 74 3.261 3.914 -6.668 562 HG23 THR 74 2HG2 THR 74 3.670 2.958 -5.245 563 H LEU 75 H LEU 75 0.446 2.412 -5.504 564 HA LEU 75 HA LEU 75 0.571 1.146 -2.860 565 HB2 LEU 75 1HB LEU 75 -1.637 1.568 -4.768 566 HB3 LEU 75 2HB LEU 75 -1.554 -0.007 -4.006 567 HG LEU 75 HG LEU 75 -1.460 2.518 -2.376 568 HD11 LEU 75 1HD1 LEU 75 -3.502 2.598 -3.740 569 HD12 LEU 75 2HD1 LEU 75 -3.840 2.385 -2.022 570 HD13 LEU 75 3HD1 LEU 75 -3.954 1.011 -3.119 571 HD21 LEU 75 3HD2 LEU 75 -2.279 -0.313 -1.765 572 HD22 LEU 75 1HD2 LEU 75 -2.334 1.032 -0.628 573 HD23 LEU 75 2HD2 LEU 75 -0.785 0.478 -1.264 574 H LEU 76 H LEU 76 1.978 -0.395 -2.953 575 HA LEU 76 HA LEU 76 1.991 -2.137 -5.320 576 HB2 LEU 76 1HB LEU 76 4.458 -1.672 -3.674 577 HB3 LEU 76 2HB LEU 76 4.333 -2.189 -5.343 578 HG LEU 76 HG LEU 76 3.660 0.612 -4.452 579 HD11 LEU 76 1HD1 LEU 76 5.982 0.167 -3.891 580 HD12 LEU 76 2HD1 LEU 76 5.874 1.256 -5.275 581 HD13 LEU 76 3HD1 LEU 76 6.272 -0.443 -5.519 582 HD21 LEU 76 3HD2 LEU 76 3.966 1.131 -6.814 583 HD22 LEU 76 1HD2 LEU 76 2.715 -0.092 -6.591 584 HD23 LEU 76 2HD2 LEU 76 4.322 -0.564 -7.144 585 H LEU 77 H LEU 77 1.151 -4.000 -4.673 586 HA LEU 77 HA LEU 77 1.742 -4.894 -1.967 587 HB2 LEU 77 1HB LEU 77 0.308 -6.897 -3.266 588 HB3 LEU 77 2HB LEU 77 -0.281 -5.765 -2.073 589 HG LEU 77 HG LEU 77 -0.299 -5.193 -5.035 590 HD11 LEU 77 1HD1 LEU 77 -2.425 -6.352 -3.228 591 HD12 LEU 77 2HD1 LEU 77 -1.625 -7.171 -4.575 592 HD13 LEU 77 3HD1 LEU 77 -2.695 -5.805 -4.883 593 HD21 LEU 77 3HD2 LEU 77 -1.762 -3.419 -4.537 594 HD22 LEU 77 1HD2 LEU 77 -0.471 -3.286 -3.346 595 HD23 LEU 77 2HD2 LEU 77 -2.027 -3.983 -2.890 596 H PHE 78 H PHE 78 3.123 -6.397 -1.475 597 HA PHE 78 HA PHE 78 4.589 -7.594 -3.700 598 HB2 PHE 78 1HB PHE 78 5.437 -6.606 -1.009 599 HB3 PHE 78 2HB PHE 78 6.400 -7.819 -1.832 600 HD1 PHE 78 1HD PHE 78 5.191 -4.354 -1.928 601 HD2 PHE 78 2HD PHE 78 7.731 -7.245 -3.746 602 HE1 PHE 78 1HE PHE 78 6.316 -2.568 -3.193 603 HE2 PHE 78 2HE PHE 78 8.856 -5.464 -5.015 604 HZ PHE 78 HZ PHE 78 8.150 -3.122 -4.738 605 H LYS 79 H LYS 79 5.394 -9.726 -3.472 606 HA LYS 79 HA LYS 79 4.176 -11.313 -1.339 607 HB2 LYS 79 1HB LYS 79 2.686 -11.523 -3.193 608 HB3 LYS 79 2HB LYS 79 4.012 -11.804 -4.310 609 HG2 LYS 79 1HG LYS 79 4.345 -13.981 -3.495 610 HG3 LYS 79 2HG LYS 79 3.408 -13.671 -2.034 611 HD2 LYS 79 1HD LYS 79 2.086 -15.029 -3.493 612 HD3 LYS 79 2HD LYS 79 1.385 -13.414 -3.460 613 HE2 LYS 79 1HE LYS 79 1.354 -14.122 -5.722 614 HE3 LYS 79 2HE LYS 79 2.650 -12.939 -5.582 615 HZ1 LYS 79 3HZ LYS 79 3.078 -15.872 -5.494 616 HZ2 LYS 79 1HZ LYS 79 4.265 -14.670 -5.586 617 HZ3 LYS 79 2HZ LYS 79 3.229 -14.939 -6.892 618 H ASN 80 H ASN 80 5.763 -12.234 -0.319 619 HA ASN 80 HA ASN 80 7.859 -12.932 0.230 620 HB2 ASN 80 1HB ASN 80 8.413 -14.782 -1.851 621 HB3 ASN 80 2HB ASN 80 7.818 -15.110 -0.232 622 HD21 ASN 80 1HD2 ASN 80 6.997 -14.742 -3.567 623 HD22 ASN 80 2HD2 ASN 80 5.384 -15.347 -3.453 624 H GLY 81 H GLY 81 8.116 -10.580 -1.022 625 HA2 GLY 81 1HA GLY 81 9.802 -9.245 -1.813 626 HA3 GLY 81 2HA GLY 81 10.841 -10.658 -1.788 627 H LYS 82 H LYS 82 8.106 -11.249 -3.673 628 HA LYS 82 HA LYS 82 9.689 -10.714 -6.087 629 HB2 LYS 82 1HB LYS 82 7.724 -12.919 -5.464 630 HB3 LYS 82 2HB LYS 82 8.441 -12.649 -7.040 631 HG2 LYS 82 1HG LYS 82 10.648 -13.068 -6.158 632 HG3 LYS 82 2HG LYS 82 9.988 -13.233 -4.531 633 HD2 LYS 82 1HD LYS 82 8.680 -15.178 -5.287 634 HD3 LYS 82 2HD LYS 82 9.404 -15.020 -6.889 635 HE2 LYS 82 1HE LYS 82 10.539 -16.735 -5.577 636 HE3 LYS 82 2HE LYS 82 11.619 -15.389 -5.936 637 HZ1 LYS 82 3HZ LYS 82 11.205 -14.530 -3.701 638 HZ2 LYS 82 1HZ LYS 82 11.853 -16.091 -3.649 639 HZ3 LYS 82 2HZ LYS 82 10.205 -15.851 -3.364 640 H GLU 83 H GLU 83 7.350 -9.392 -4.457 641 HA GLU 83 HA GLU 83 5.727 -7.902 -4.922 642 HB2 GLU 83 1HB GLU 83 7.400 -7.293 -6.749 643 HB3 GLU 83 2HB GLU 83 6.390 -8.224 -7.841 644 HG2 GLU 83 1HG GLU 83 4.517 -6.723 -7.389 645 HG3 GLU 83 2HG GLU 83 5.532 -5.793 -6.285 646 H VAL 84 H VAL 84 3.580 -7.655 -6.156 647 HA VAL 84 HA VAL 84 2.673 -10.092 -7.431 648 HB VAL 84 HB VAL 84 2.106 -10.070 -4.902 649 HG11 VAL 84 1HG1 VAL 84 -0.145 -9.076 -4.462 650 HG12 VAL 84 2HG1 VAL 84 0.030 -8.184 -5.973 651 HG13 VAL 84 3HG1 VAL 84 1.165 -7.907 -4.652 652 HG21 VAL 84 3HG2 VAL 84 0.017 -10.642 -6.979 653 HG22 VAL 84 1HG2 VAL 84 0.030 -11.275 -5.332 654 HG23 VAL 84 2HG2 VAL 84 1.306 -11.726 -6.464 655 H ALA 85 H ALA 85 2.225 -6.707 -6.665 656 HA ALA 85 HA ALA 85 1.122 -6.235 -9.298 657 HB1 ALA 85 1HB ALA 85 -0.529 -5.435 -6.914 658 HB2 ALA 85 2HB ALA 85 -0.893 -6.810 -7.956 659 HB3 ALA 85 3HB ALA 85 -0.913 -5.170 -8.613 660 H LYS 86 H LYS 86 0.871 -3.943 -9.761 661 HA LYS 86 HA LYS 86 2.154 -2.161 -7.864 662 HB2 LYS 86 1HB LYS 86 3.998 -2.964 -9.241 663 HB3 LYS 86 2HB LYS 86 3.114 -2.577 -10.706 664 HG2 LYS 86 1HG LYS 86 3.572 -0.315 -8.885 665 HG3 LYS 86 2HG LYS 86 5.019 -1.012 -9.611 666 HD2 LYS 86 1HD LYS 86 3.968 -0.757 -11.838 667 HD3 LYS 86 2HD LYS 86 2.591 0.032 -11.067 668 HE2 LYS 86 1HE LYS 86 4.085 1.704 -11.964 669 HE3 LYS 86 2HE LYS 86 4.111 1.778 -10.203 670 HZ1 LYS 86 3HZ LYS 86 6.192 0.573 -10.204 671 HZ2 LYS 86 1HZ LYS 86 6.327 1.948 -11.179 672 HZ3 LYS 86 2HZ LYS 86 6.150 0.424 -11.889 673 H VAL 87 H VAL 87 0.575 -0.720 -7.555 674 HA VAL 87 HA VAL 87 -0.622 0.528 -9.951 675 HB VAL 87 HB VAL 87 -1.941 0.526 -7.232 676 HG11 VAL 87 1HG1 VAL 87 -2.974 1.018 -10.028 677 HG12 VAL 87 2HG1 VAL 87 -2.661 2.243 -8.796 678 HG13 VAL 87 3HG1 VAL 87 -3.947 1.058 -8.557 679 HG21 VAL 87 3HG2 VAL 87 -1.699 -1.817 -7.956 680 HG22 VAL 87 1HG2 VAL 87 -2.512 -1.421 -9.470 681 HG23 VAL 87 2HG2 VAL 87 -3.384 -1.291 -7.938 682 H VAL 88 H VAL 88 -0.834 2.777 -9.932 683 HA VAL 88 HA VAL 88 0.434 4.264 -7.815 684 HB VAL 88 HB VAL 88 2.374 3.370 -8.845 685 HG11 VAL 88 1HG1 VAL 88 1.331 2.652 -10.930 686 HG12 VAL 88 2HG1 VAL 88 2.859 3.502 -11.215 687 HG13 VAL 88 3HG1 VAL 88 1.325 4.327 -11.499 688 HG21 VAL 88 3HG2 VAL 88 3.541 5.354 -9.684 689 HG22 VAL 88 1HG2 VAL 88 2.584 5.713 -8.247 690 HG23 VAL 88 2HG2 VAL 88 1.995 6.192 -9.840 691 H GLY 89 H GLY 89 -1.663 5.298 -7.913 692 HA2 GLY 89 1HA GLY 89 -1.634 7.819 -8.851 693 HA3 GLY 89 2HA GLY 89 -2.222 6.935 -10.246 694 H ALA 90 H ALA 90 -2.883 7.678 -6.860 695 HA ALA 90 HA ALA 90 -4.813 7.762 -5.641 696 HB1 ALA 90 1HB ALA 90 -5.897 8.861 -8.229 697 HB2 ALA 90 2HB ALA 90 -4.946 9.772 -7.057 698 HB3 ALA 90 3HB ALA 90 -6.535 9.149 -6.608 699 H ASN 91 H ASN 91 -5.009 5.395 -5.512 700 HA ASN 91 HA ASN 91 -7.138 4.372 -7.248 701 HB2 ASN 91 1HB ASN 91 -6.018 2.174 -7.244 702 HB3 ASN 91 2HB ASN 91 -5.064 3.428 -8.024 703 HD21 ASN 91 1HD2 ASN 91 -4.541 0.804 -6.591 704 HD22 ASN 91 2HD2 ASN 91 -3.245 1.166 -5.513 705 HA PRO 92 HA PRO 92 -8.587 3.121 -3.054 706 HB2 PRO 92 1HB PRO 92 -11.092 4.384 -3.870 707 HB3 PRO 92 2HB PRO 92 -10.144 4.651 -2.407 708 HG2 PRO 92 1HG PRO 92 -10.387 6.506 -4.373 709 HG3 PRO 92 2HG PRO 92 -8.957 6.374 -3.335 710 HD2 PRO 92 1HD PRO 92 -9.363 5.415 -6.143 711 HD3 PRO 92 2HD PRO 92 -7.932 6.165 -5.407 712 H ALA 93 H ALA 93 -10.046 3.401 -6.279 713 HA ALA 93 HA ALA 93 -11.620 0.993 -5.887 714 HB1 ALA 93 1HB ALA 93 -12.517 1.436 -8.099 715 HB2 ALA 93 2HB ALA 93 -11.329 2.713 -8.348 716 HB3 ALA 93 3HB ALA 93 -12.576 2.898 -7.115 717 H ALA 94 H ALA 94 -8.855 2.078 -7.808 718 HA ALA 94 HA ALA 94 -8.535 -0.435 -9.131 719 HB1 ALA 94 1HB ALA 94 -7.756 1.574 -10.211 720 HB2 ALA 94 2HB ALA 94 -6.407 0.470 -9.944 721 HB3 ALA 94 3HB ALA 94 -6.619 1.876 -8.903 722 H ILE 95 H ILE 95 -7.520 0.758 -6.011 723 HA ILE 95 HA ILE 95 -5.451 -1.129 -5.633 724 HB ILE 95 HB ILE 95 -6.105 0.686 -3.934 725 HG12 ILE 95 1HG1 ILE 95 -5.065 -0.514 -2.159 726 HG13 ILE 95 2HG1 ILE 95 -5.734 -2.056 -2.693 727 HG21 ILE 95 1HG2 ILE 95 -8.000 -1.473 -3.017 728 HG22 ILE 95 2HG2 ILE 95 -8.474 0.071 -3.741 729 HG23 ILE 95 3HG2 ILE 95 -7.653 0.047 -2.181 730 HD11 ILE 95 3HD1 ILE 95 -3.284 -1.736 -3.078 731 HD12 ILE 95 1HD1 ILE 95 -3.693 -0.501 -4.267 732 HD13 ILE 95 2HD1 ILE 95 -4.217 -2.167 -4.509 733 H LYS 96 H LYS 96 -8.932 -1.280 -5.463 734 HA LYS 96 HA LYS 96 -9.163 -3.833 -4.383 735 HB2 LYS 96 1HB LYS 96 -10.923 -2.127 -6.046 736 HB3 LYS 96 2HB LYS 96 -11.297 -3.846 -6.012 737 HG2 LYS 96 1HG LYS 96 -11.053 -2.044 -3.617 738 HG3 LYS 96 2HG LYS 96 -12.556 -2.635 -4.326 739 HD2 LYS 96 1HD LYS 96 -10.440 -4.563 -3.407 740 HD3 LYS 96 2HD LYS 96 -11.558 -3.836 -2.251 741 HE2 LYS 96 1HE LYS 96 -12.277 -6.068 -3.107 742 HE3 LYS 96 2HE LYS 96 -13.454 -4.781 -3.341 743 HZ1 LYS 96 3HZ LYS 96 -13.183 -6.278 -5.272 744 HZ2 LYS 96 1HZ LYS 96 -11.593 -5.734 -5.454 745 HZ3 LYS 96 2HZ LYS 96 -12.886 -4.658 -5.642 746 H GLN 97 H GLN 97 -8.524 -2.788 -7.658 747 HA GLN 97 HA GLN 97 -8.626 -5.235 -8.977 748 HB2 GLN 97 1HB GLN 97 -8.344 -3.129 -10.162 749 HB3 GLN 97 2HB GLN 97 -6.795 -2.855 -9.390 750 HG2 GLN 97 1HG GLN 97 -7.100 -5.323 -11.009 751 HG3 GLN 97 2HG GLN 97 -7.025 -3.786 -11.864 752 HE21 GLN 97 1HE2 GLN 97 -5.264 -6.142 -10.058 753 HE22 GLN 97 2HE2 GLN 97 -3.700 -5.422 -10.243 754 H ALA 98 H ALA 98 -5.839 -3.672 -7.401 755 HA ALA 98 HA ALA 98 -4.182 -5.969 -7.701 756 HB1 ALA 98 1HB ALA 98 -2.533 -4.738 -6.398 757 HB2 ALA 98 2HB ALA 98 -3.779 -3.611 -5.857 758 HB3 ALA 98 3HB ALA 98 -3.304 -3.645 -7.551 759 H ILE 99 H ILE 99 -5.962 -4.615 -5.082 760 HA ILE 99 HA ILE 99 -4.964 -6.201 -3.015 761 HB ILE 99 HB ILE 99 -6.638 -4.012 -3.189 762 HG12 ILE 99 1HG1 ILE 99 -5.054 -4.300 -1.443 763 HG13 ILE 99 2HG1 ILE 99 -6.638 -4.128 -0.694 764 HG21 ILE 99 1HG2 ILE 99 -8.577 -5.605 -3.400 765 HG22 ILE 99 2HG2 ILE 99 -8.670 -4.344 -2.169 766 HG23 ILE 99 3HG2 ILE 99 -8.276 -6.007 -1.706 767 HD11 ILE 99 3HD1 ILE 99 -5.019 -6.632 -1.017 768 HD12 ILE 99 1HD1 ILE 99 -6.746 -6.659 -0.656 769 HD13 ILE 99 2HD1 ILE 99 -5.616 -5.884 0.479 770 H ALA 100 H ALA 100 -7.861 -6.598 -4.991 771 HA ALA 100 HA ALA 100 -8.642 -8.867 -3.381 772 HB1 ALA 100 1HB ALA 100 -10.734 -8.821 -4.606 773 HB2 ALA 100 2HB ALA 100 -10.083 -7.610 -5.710 774 HB3 ALA 100 3HB ALA 100 -10.333 -7.210 -4.011 775 H ALA 101 H ALA 101 -7.418 -8.181 -6.603 776 HA ALA 101 HA ALA 101 -7.994 -10.828 -7.567 777 HB1 ALA 101 1HB ALA 101 -6.300 -8.665 -8.797 778 HB2 ALA 101 2HB ALA 101 -8.020 -8.927 -9.089 779 HB3 ALA 101 3HB ALA 101 -6.845 -10.140 -9.596 780 H ASN 102 H ASN 102 -5.199 -9.169 -6.187 781 HA ASN 102 HA ASN 102 -3.497 -11.435 -6.910 782 HB2 ASN 102 1HB ASN 102 -2.861 -8.898 -5.419 783 HB3 ASN 102 2HB ASN 102 -1.688 -10.167 -5.753 784 HD21 ASN 102 1HD2 ASN 102 -3.442 -7.540 -6.968 785 HD22 ASN 102 2HD2 ASN 102 -2.759 -7.508 -8.565 786 H ALA 103 H ALA 103 -4.331 -9.819 -3.843 787 HA ALA 103 HA ALA 103 -3.365 -11.604 -2.028 788 HB1 ALA 103 1HB ALA 103 -6.100 -10.368 -1.762 789 HB2 ALA 103 2HB ALA 103 -4.602 -9.473 -1.511 790 HB3 ALA 103 3HB ALA 103 -5.002 -10.845 -0.468 Start of MODEL 20 1 H1 MET 1 1H MET 1 -8.935 -0.825 10.884 2 H2 MET 1 2H MET 1 -9.241 0.168 12.213 3 H3 MET 1 3H MET 1 -8.090 -1.065 12.323 4 HA MET 1 HA MET 1 -7.907 1.325 10.592 5 HB2 MET 1 1HB MET 1 -6.373 0.528 13.079 6 HB3 MET 1 2HB MET 1 -5.980 1.901 12.057 7 HG2 MET 1 1HG MET 1 -8.092 2.950 12.608 8 HG3 MET 1 2HG MET 1 -8.553 1.553 13.578 9 HE1 MET 1 3HE MET 1 -6.143 4.620 13.241 10 HE2 MET 1 1HE MET 1 -4.995 3.283 13.327 11 HE3 MET 1 2HE MET 1 -5.107 4.437 14.657 12 H VAL 2 H VAL 2 -6.164 1.373 9.187 13 HA VAL 2 HA VAL 2 -4.737 -1.154 8.820 14 HB VAL 2 HB VAL 2 -4.580 -0.703 6.645 15 HG11 VAL 2 1HG1 VAL 2 -6.397 1.621 7.243 16 HG12 VAL 2 2HG1 VAL 2 -6.895 -0.052 7.006 17 HG13 VAL 2 3HG1 VAL 2 -6.176 0.851 5.668 18 HG21 VAL 2 3HG2 VAL 2 -3.652 1.262 5.703 19 HG22 VAL 2 1HG2 VAL 2 -2.761 0.895 7.172 20 HG23 VAL 2 2HG2 VAL 2 -3.960 2.189 7.169 21 H THR 3 H THR 3 -2.518 -1.302 8.830 22 HA THR 3 HA THR 3 -1.348 0.208 10.934 23 HB THR 3 HB THR 3 -0.595 -2.134 9.262 24 HG1 THR 3 1HG THR 3 -1.740 -2.387 11.229 25 HG21 THR 3 3HG2 THR 3 1.420 -0.789 9.220 26 HG22 THR 3 1HG2 THR 3 1.642 -2.215 10.245 27 HG23 THR 3 2HG2 THR 3 1.372 -0.634 10.982 28 H GLN 4 H GLN 4 0.291 1.607 10.914 29 HA GLN 4 HA GLN 4 1.343 2.494 8.318 30 HB2 GLN 4 1HB GLN 4 2.060 4.537 9.782 31 HB3 GLN 4 2HB GLN 4 0.400 4.408 9.229 32 HG2 GLN 4 1HG GLN 4 -0.253 4.633 11.325 33 HG3 GLN 4 2HG GLN 4 0.460 3.060 11.669 34 HE21 GLN 4 1HE2 GLN 4 3.194 4.068 11.175 35 HE22 GLN 4 2HE2 GLN 4 3.595 5.016 12.562 36 H PHE 5 H PHE 5 3.316 1.740 7.920 37 HA PHE 5 HA PHE 5 5.035 0.708 9.949 38 HB2 PHE 5 1HB PHE 5 5.498 1.350 7.038 39 HB3 PHE 5 2HB PHE 5 6.781 0.758 8.081 40 HD1 PHE 5 2HD PHE 5 5.219 -1.240 9.679 41 HD2 PHE 5 1HD PHE 5 5.269 -0.387 5.510 42 HE1 PHE 5 2HE PHE 5 4.552 -3.557 9.198 43 HE2 PHE 5 1HE PHE 5 4.611 -2.706 5.016 44 HZ PHE 5 HZ PHE 5 4.249 -4.291 6.868 45 H LYS 6 H LYS 6 7.267 1.515 10.262 46 HA LYS 6 HA LYS 6 7.203 4.439 10.506 47 HB2 LYS 6 1HB LYS 6 8.848 4.023 12.420 48 HB3 LYS 6 2HB LYS 6 7.163 3.607 12.685 49 HG2 LYS 6 1HG LYS 6 7.756 1.239 12.121 50 HG3 LYS 6 2HG LYS 6 9.449 1.736 12.127 51 HD2 LYS 6 1HD LYS 6 9.319 2.373 14.430 52 HD3 LYS 6 2HD LYS 6 7.573 2.137 14.451 53 HE2 LYS 6 1HE LYS 6 8.571 0.259 15.527 54 HE3 LYS 6 2HE LYS 6 7.969 -0.276 13.961 55 HZ1 LYS 6 3HZ LYS 6 10.792 0.486 14.453 56 HZ2 LYS 6 1HZ LYS 6 10.162 -0.280 13.083 57 HZ3 LYS 6 2HZ LYS 6 10.222 -1.101 14.558 58 H THR 7 H THR 7 9.041 1.742 9.328 59 HA THR 7 HA THR 7 10.935 3.639 8.190 60 HB THR 7 HB THR 7 12.792 1.999 8.553 61 HG1 THR 7 1HG THR 7 12.209 0.736 10.637 62 HG21 THR 7 3HG2 THR 7 12.673 4.043 9.852 63 HG22 THR 7 1HG2 THR 7 13.214 2.715 10.877 64 HG23 THR 7 2HG2 THR 7 11.550 3.288 10.983 65 H ALA 8 H ALA 8 12.040 2.927 6.299 66 HA ALA 8 HA ALA 8 10.651 1.381 4.450 67 HB1 ALA 8 1HB ALA 8 12.721 1.287 3.195 68 HB2 ALA 8 2HB ALA 8 13.659 1.681 4.635 69 HB3 ALA 8 3HB ALA 8 12.578 2.883 3.934 70 H SER 9 H SER 9 13.096 0.536 6.839 71 HA SER 9 HA SER 9 13.542 -2.123 6.290 72 HB2 SER 9 1HB SER 9 13.321 -0.886 9.041 73 HB3 SER 9 2HB SER 9 14.234 -2.331 8.606 74 HG SER 9 HG SER 9 15.715 -1.119 7.576 75 H GLU 10 H GLU 10 10.849 -0.628 8.074 76 HA GLU 10 HA GLU 10 9.676 -3.071 8.951 77 HB2 GLU 10 1HB GLU 10 8.339 -0.437 8.312 78 HB3 GLU 10 2HB GLU 10 7.606 -1.754 9.211 79 HG2 GLU 10 1HG GLU 10 10.020 -0.179 10.062 80 HG3 GLU 10 2HG GLU 10 8.379 0.043 10.659 81 H PHE 11 H PHE 11 9.054 -0.996 6.173 82 HA PHE 11 HA PHE 11 7.010 -2.521 4.998 83 HB2 PHE 11 1HB PHE 11 7.106 -0.331 4.293 84 HB3 PHE 11 2HB PHE 11 8.853 -0.343 4.101 85 HD1 PHE 11 1HD PHE 11 5.643 -1.149 2.551 86 HD2 PHE 11 2HD PHE 11 9.863 -1.087 2.065 87 HE1 PHE 11 1HE PHE 11 5.355 -1.434 0.124 88 HE2 PHE 11 2HE PHE 11 9.586 -1.385 -0.369 89 HZ PHE 11 HZ PHE 11 7.331 -1.553 -1.340 90 H ASP 12 H ASP 12 10.508 -2.424 4.323 91 HA ASP 12 HA ASP 12 10.543 -4.238 2.214 92 HB2 ASP 12 1HB ASP 12 12.572 -3.368 4.234 93 HB3 ASP 12 2HB ASP 12 12.950 -4.653 3.104 94 H SER 13 H SER 13 10.522 -4.765 5.677 95 HA SER 13 HA SER 13 11.180 -7.540 5.500 96 HB2 SER 13 1HB SER 13 11.628 -6.095 7.504 97 HB3 SER 13 2HB SER 13 9.893 -6.060 7.807 98 HG SER 13 HG SER 13 10.101 -7.907 8.749 99 H ALA 14 H ALA 14 8.233 -5.676 5.446 100 HA ALA 14 HA ALA 14 6.534 -7.969 5.847 101 HB1 ALA 14 1HB ALA 14 5.820 -5.760 6.603 102 HB2 ALA 14 2HB ALA 14 4.688 -6.435 5.429 103 HB3 ALA 14 3HB ALA 14 5.831 -5.186 4.936 104 H ILE 15 H ILE 15 7.590 -5.992 3.105 105 HA ILE 15 HA ILE 15 5.982 -7.281 1.175 106 HB ILE 15 HB ILE 15 7.487 -6.317 -0.500 107 HG12 ILE 15 1HG1 ILE 15 9.116 -5.273 1.798 108 HG13 ILE 15 2HG1 ILE 15 9.560 -6.708 0.891 109 HG21 ILE 15 1HG2 ILE 15 5.892 -4.765 0.120 110 HG22 ILE 15 2HG2 ILE 15 7.388 -3.886 0.412 111 HG23 ILE 15 3HG2 ILE 15 6.520 -4.619 1.759 112 HD11 ILE 15 3HD1 ILE 15 9.699 -5.371 -1.147 113 HD12 ILE 15 1HD1 ILE 15 10.772 -4.755 0.109 114 HD13 ILE 15 2HD1 ILE 15 9.248 -3.935 -0.229 115 H ALA 16 H ALA 16 8.913 -8.178 2.779 116 HA ALA 16 HA ALA 16 9.730 -10.104 0.804 117 HB1 ALA 16 1HB ALA 16 11.426 -10.749 2.390 118 HB2 ALA 16 2HB ALA 16 10.613 -9.843 3.666 119 HB3 ALA 16 3HB ALA 16 11.336 -8.988 2.300 120 H GLN 17 H GLN 17 7.293 -10.092 3.083 121 HA GLN 17 HA GLN 17 7.484 -12.753 4.050 122 HB2 GLN 17 1HB GLN 17 5.123 -10.873 3.874 123 HB3 GLN 17 2HB GLN 17 5.057 -12.449 4.651 124 HG2 GLN 17 1HG GLN 17 6.798 -11.728 6.222 125 HG3 GLN 17 2HG GLN 17 6.809 -10.140 5.458 126 HE21 GLN 17 1HE2 GLN 17 6.181 -10.936 8.210 127 HE22 GLN 17 2HE2 GLN 17 4.594 -10.325 8.522 128 H ASP 18 H ASP 18 6.281 -14.585 3.449 129 HA ASP 18 HA ASP 18 5.926 -14.885 0.605 130 HB2 ASP 18 1HB ASP 18 5.501 -16.763 2.919 131 HB3 ASP 18 2HB ASP 18 5.278 -17.233 1.241 132 H LYS 19 H LYS 19 4.167 -13.024 1.638 133 HA LYS 19 HA LYS 19 1.584 -14.201 0.996 134 HB2 LYS 19 1HB LYS 19 0.508 -13.588 2.939 135 HB3 LYS 19 2HB LYS 19 2.010 -14.280 3.512 136 HG2 LYS 19 1HG LYS 19 2.886 -12.220 4.125 137 HG3 LYS 19 2HG LYS 19 1.754 -11.330 3.101 138 HD2 LYS 19 1HD LYS 19 0.995 -12.916 5.550 139 HD3 LYS 19 2HD LYS 19 1.200 -11.162 5.500 140 HE2 LYS 19 1HE LYS 19 -0.609 -10.918 3.967 141 HE3 LYS 19 2HE LYS 19 -0.721 -12.662 3.724 142 HZ1 LYS 19 3HZ LYS 19 -2.454 -11.914 5.200 143 HZ2 LYS 19 1HZ LYS 19 -1.326 -11.179 6.231 144 HZ3 LYS 19 2HZ LYS 19 -1.365 -12.865 6.073 145 H LEU 20 H LEU 20 -0.088 -12.364 1.018 146 HA LEU 20 HA LEU 20 0.887 -10.368 -0.791 147 HB2 LEU 20 1HB LEU 20 -1.361 -11.565 -0.866 148 HB3 LEU 20 2HB LEU 20 -1.859 -10.542 0.459 149 HG LEU 20 HG LEU 20 -2.748 -9.704 -1.622 150 HD11 LEU 20 1HD1 LEU 20 -0.559 -7.905 -0.639 151 HD12 LEU 20 2HD1 LEU 20 -2.197 -8.017 -0.001 152 HD13 LEU 20 3HD1 LEU 20 -1.929 -7.419 -1.636 153 HD21 LEU 20 3HD2 LEU 20 -1.389 -8.980 -3.463 154 HD22 LEU 20 1HD2 LEU 20 -1.052 -10.674 -3.108 155 HD23 LEU 20 2HD2 LEU 20 0.080 -9.425 -2.591 156 H VAL 21 H VAL 21 2.067 -8.732 0.059 157 HA VAL 21 HA VAL 21 0.971 -7.300 2.370 158 HB VAL 21 HB VAL 21 3.549 -7.642 1.993 159 HG11 VAL 21 1HG1 VAL 21 4.627 -5.909 0.731 160 HG12 VAL 21 2HG1 VAL 21 3.063 -5.339 0.157 161 HG13 VAL 21 3HG1 VAL 21 3.636 -6.948 -0.287 162 HG21 VAL 21 3HG2 VAL 21 2.657 -6.212 3.753 163 HG22 VAL 21 1HG2 VAL 21 2.412 -4.902 2.592 164 HG23 VAL 21 2HG2 VAL 21 4.053 -5.438 2.998 165 H VAL 22 H VAL 22 -0.380 -5.575 2.056 166 HA VAL 22 HA VAL 22 0.003 -4.127 -0.447 167 HB VAL 22 HB VAL 22 -2.105 -4.828 -0.863 168 HG11 VAL 22 1HG1 VAL 22 -2.445 -6.244 0.946 169 HG12 VAL 22 2HG1 VAL 22 -3.856 -5.191 0.844 170 HG13 VAL 22 3HG1 VAL 22 -2.621 -4.895 2.072 171 HG21 VAL 22 3HG2 VAL 22 -2.616 -2.424 0.875 172 HG22 VAL 22 1HG2 VAL 22 -3.794 -3.127 -0.237 173 HG23 VAL 22 2HG2 VAL 22 -2.294 -2.437 -0.861 174 H VAL 23 H VAL 23 1.303 -2.583 0.129 175 HA VAL 23 HA VAL 23 0.654 -0.895 2.454 176 HB VAL 23 HB VAL 23 3.238 -1.100 0.889 177 HG11 VAL 23 1HG1 VAL 23 2.600 0.380 3.429 178 HG12 VAL 23 2HG1 VAL 23 2.909 1.104 1.852 179 HG13 VAL 23 3HG1 VAL 23 4.195 0.239 2.691 180 HG21 VAL 23 3HG2 VAL 23 4.087 -2.106 3.040 181 HG22 VAL 23 1HG2 VAL 23 2.984 -3.116 2.104 182 HG23 VAL 23 2HG2 VAL 23 2.403 -2.264 3.531 183 H ALA 24 H ALA 24 0.371 1.325 2.199 184 HA ALA 24 HA ALA 24 0.483 2.367 -0.544 185 HB1 ALA 24 1HB ALA 24 -1.523 3.259 1.481 186 HB2 ALA 24 2HB ALA 24 -1.837 1.983 0.307 187 HB3 ALA 24 3HB ALA 24 -1.483 3.618 -0.244 188 H PHE 25 H PHE 25 1.859 3.840 -0.843 189 HA PHE 25 HA PHE 25 3.032 5.405 1.232 190 HB2 PHE 25 1HB PHE 25 3.026 5.730 -1.772 191 HB3 PHE 25 2HB PHE 25 4.077 6.618 -0.668 192 HD1 PHE 25 2HD PHE 25 3.302 3.293 -2.063 193 HD2 PHE 25 1HD PHE 25 6.046 5.612 0.216 194 HE1 PHE 25 2HE PHE 25 4.949 1.474 -2.205 195 HE2 PHE 25 1HE PHE 25 7.703 3.795 0.069 196 HZ PHE 25 HZ PHE 25 7.152 1.724 -1.137 197 H TYR 26 H TYR 26 2.197 7.154 2.158 198 HA TYR 26 HA TYR 26 -0.090 8.531 0.880 199 HB2 TYR 26 1HB TYR 26 0.379 7.492 3.605 200 HB3 TYR 26 2HB TYR 26 -0.304 9.107 3.532 201 HD1 TYR 26 1HD TYR 26 -0.919 5.945 1.616 202 HD2 TYR 26 2HD TYR 26 -2.483 9.075 4.023 203 HE1 TYR 26 1HE TYR 26 -3.160 4.953 1.452 204 HE2 TYR 26 2HE TYR 26 -4.722 8.101 3.864 205 HH TYR 26 HH TYR 26 -5.952 6.592 2.316 206 H ALA 27 H ALA 27 -0.436 10.711 1.937 207 HA ALA 27 HA ALA 27 1.807 11.835 3.337 208 HB1 ALA 27 1HB ALA 27 1.985 13.812 1.862 209 HB2 ALA 27 2HB ALA 27 0.859 13.059 0.732 210 HB3 ALA 27 3HB ALA 27 2.435 12.325 1.025 211 H THR 28 H THR 28 1.050 13.198 4.870 212 HA THR 28 HA THR 28 -1.722 13.226 5.376 213 HB THR 28 HB THR 28 -0.050 15.149 6.807 214 HG1 THR 28 1HG THR 28 1.210 13.587 7.774 215 HG21 THR 28 3HG2 THR 28 -1.111 14.095 8.751 216 HG22 THR 28 1HG2 THR 28 -1.846 12.895 7.687 217 HG23 THR 28 2HG2 THR 28 -2.308 14.592 7.555 218 H TRP 29 H TRP 29 0.065 15.145 3.342 219 HA TRP 29 HA TRP 29 -1.737 17.437 3.629 220 HB2 TRP 29 1HB TRP 29 -0.044 18.705 2.363 221 HB3 TRP 29 2HB TRP 29 0.611 18.016 3.844 222 HD1 TRP 29 HD TRP 29 0.573 17.311 0.059 223 HE1 TRP 29 1HE TRP 29 2.772 16.112 -0.572 224 HE3 TRP 29 3HE TRP 29 2.544 16.768 4.734 225 HZ2 TRP 29 2HZ TRP 29 5.039 15.075 0.761 226 HZ3 TRP 29 3HZ TRP 29 4.728 15.664 4.975 227 HH2 TRP 29 HH TRP 29 5.948 14.833 3.030 228 H CYS 30 H CYS 30 -1.940 14.720 2.068 229 HA CYS 30 HA CYS 30 -2.493 15.943 -0.545 230 HB2 CYS 30 1HB CYS 30 -1.309 14.327 -1.470 231 HB3 CYS 30 2HB CYS 30 -0.968 13.644 0.117 232 H GLY 31 H GLY 31 -4.385 15.746 -1.500 233 HA2 GLY 31 1HA GLY 31 -6.662 15.179 0.117 234 HA3 GLY 31 2HA GLY 31 -6.673 15.674 -1.564 235 HA PRO 32 HA PRO 32 -7.423 11.566 -2.975 236 HB2 PRO 32 1HB PRO 32 -4.736 10.626 -3.707 237 HB3 PRO 32 2HB PRO 32 -6.130 10.940 -4.742 238 HG2 PRO 32 1HG PRO 32 -3.977 12.528 -4.787 239 HG3 PRO 32 2HG PRO 32 -5.615 13.186 -4.973 240 HD2 PRO 32 1HD PRO 32 -3.887 13.088 -2.519 241 HD3 PRO 32 2HD PRO 32 -4.805 14.457 -3.154 242 H CYS 33 H CYS 33 -4.555 11.664 -0.976 243 HA CYS 33 HA CYS 33 -4.529 9.078 0.090 244 HB2 CYS 33 1HB CYS 33 -4.022 11.651 1.612 245 HB3 CYS 33 2HB CYS 33 -3.443 10.048 2.045 246 H LYS 34 H LYS 34 -6.435 11.900 0.940 247 HA LYS 34 HA LYS 34 -7.589 10.835 3.267 248 HB2 LYS 34 1HB LYS 34 -8.645 13.000 1.444 249 HB3 LYS 34 2HB LYS 34 -9.161 12.703 3.100 250 HG2 LYS 34 1HG LYS 34 -6.925 13.232 3.905 251 HG3 LYS 34 2HG LYS 34 -6.386 13.504 2.247 252 HD2 LYS 34 1HD LYS 34 -8.023 15.327 2.036 253 HD3 LYS 34 2HD LYS 34 -8.508 15.068 3.713 254 HE2 LYS 34 1HE LYS 34 -5.770 15.884 2.747 255 HE3 LYS 34 2HE LYS 34 -6.944 16.922 3.552 256 HZ1 LYS 34 3HZ LYS 34 -5.325 16.190 5.134 257 HZ2 LYS 34 1HZ LYS 34 -5.565 14.567 4.721 258 HZ3 LYS 34 2HZ LYS 34 -6.791 15.432 5.495 259 H MET 35 H MET 35 -8.887 11.079 -0.067 260 HA MET 35 HA MET 35 -11.413 10.028 0.598 261 HB2 MET 35 1HB MET 35 -11.739 9.678 -1.812 262 HB3 MET 35 2HB MET 35 -11.109 11.275 -1.441 263 HG2 MET 35 1HG MET 35 -8.868 10.504 -2.069 264 HG3 MET 35 2HG MET 35 -9.550 8.936 -2.485 265 HE1 MET 35 3HE MET 35 -11.361 8.594 -4.418 266 HE2 MET 35 1HE MET 35 -11.907 9.883 -5.490 267 HE3 MET 35 2HE MET 35 -12.372 9.895 -3.790 268 H ILE 36 H ILE 36 -8.590 8.292 -0.792 269 HA ILE 36 HA ILE 36 -10.084 5.847 -0.716 270 HB ILE 36 HB ILE 36 -8.588 5.095 -2.147 271 HG12 ILE 36 1HG1 ILE 36 -7.419 4.411 0.091 272 HG13 ILE 36 2HG1 ILE 36 -6.609 4.166 -1.441 273 HG21 ILE 36 1HG2 ILE 36 -6.934 7.543 -1.602 274 HG22 ILE 36 2HG2 ILE 36 -8.235 7.404 -2.784 275 HG23 ILE 36 3HG2 ILE 36 -6.760 6.459 -2.982 276 HD11 ILE 36 3HD1 ILE 36 -5.271 6.137 -1.078 277 HD12 ILE 36 1HD1 ILE 36 -5.143 5.053 0.309 278 HD13 ILE 36 2HD1 ILE 36 -6.158 6.497 0.408 279 H ALA 37 H ALA 37 -8.404 7.656 1.577 280 HA ALA 37 HA ALA 37 -7.296 5.666 3.176 281 HB1 ALA 37 1HB ALA 37 -7.199 7.268 4.937 282 HB2 ALA 37 2HB ALA 37 -8.431 8.265 4.170 283 HB3 ALA 37 3HB ALA 37 -6.849 8.075 3.402 284 HA PRO 38 HA PRO 38 -11.545 5.075 5.385 285 HB2 PRO 38 1HB PRO 38 -13.458 6.200 3.440 286 HB3 PRO 38 2HB PRO 38 -13.454 6.311 5.203 287 HG2 PRO 38 1HG PRO 38 -12.855 8.422 3.692 288 HG3 PRO 38 2HG PRO 38 -12.007 8.111 5.220 289 HD2 PRO 38 1HD PRO 38 -11.119 7.544 2.414 290 HD3 PRO 38 2HD PRO 38 -10.208 8.252 3.760 291 H MET 39 H MET 39 -11.420 5.243 1.810 292 HA MET 39 HA MET 39 -13.025 2.958 1.397 293 HB2 MET 39 1HB MET 39 -10.871 4.170 -0.323 294 HB3 MET 39 2HB MET 39 -11.877 2.828 -0.847 295 HG2 MET 39 1HG MET 39 -12.906 5.524 0.003 296 HG3 MET 39 2HG MET 39 -12.666 5.011 -1.665 297 HE1 MET 39 3HE MET 39 -15.313 2.206 -2.112 298 HE2 MET 39 1HE MET 39 -13.610 2.012 -1.699 299 HE3 MET 39 2HE MET 39 -14.095 3.214 -2.896 300 H ILE 40 H ILE 40 -9.418 3.051 1.159 301 HA ILE 40 HA ILE 40 -9.231 0.244 1.138 302 HB ILE 40 HB ILE 40 -7.215 2.421 1.672 303 HG12 ILE 40 1HG1 ILE 40 -7.629 0.427 -0.569 304 HG13 ILE 40 2HG1 ILE 40 -8.156 2.105 -0.593 305 HG21 ILE 40 1HG2 ILE 40 -6.730 -0.555 1.644 306 HG22 ILE 40 2HG2 ILE 40 -6.438 0.568 2.977 307 HG23 ILE 40 3HG2 ILE 40 -5.472 0.674 1.503 308 HD11 ILE 40 3HD1 ILE 40 -5.769 2.752 -0.325 309 HD12 ILE 40 1HD1 ILE 40 -6.183 1.968 -1.850 310 HD13 ILE 40 2HD1 ILE 40 -5.353 1.056 -0.585 311 H GLU 41 H GLU 41 -9.531 2.500 3.775 312 HA GLU 41 HA GLU 41 -8.903 0.736 5.877 313 HB2 GLU 41 1HB GLU 41 -9.346 3.177 6.144 314 HB3 GLU 41 2HB GLU 41 -11.050 2.865 5.852 315 HG2 GLU 41 1HG GLU 41 -11.185 1.522 7.855 316 HG3 GLU 41 2HG GLU 41 -9.452 1.716 8.127 317 H LYS 42 H LYS 42 -11.992 1.348 4.169 318 HA LYS 42 HA LYS 42 -13.424 -0.660 5.516 319 HB2 LYS 42 1HB LYS 42 -14.616 0.958 4.191 320 HB3 LYS 42 2HB LYS 42 -13.736 0.499 2.742 321 HG2 LYS 42 1HG LYS 42 -16.113 -0.308 2.900 322 HG3 LYS 42 2HG LYS 42 -14.901 -1.542 2.560 323 HD2 LYS 42 1HD LYS 42 -15.028 -2.439 4.695 324 HD3 LYS 42 2HD LYS 42 -15.772 -0.985 5.370 325 HE2 LYS 42 1HE LYS 42 -17.108 -2.798 3.367 326 HE3 LYS 42 2HE LYS 42 -17.326 -2.927 5.111 327 HZ1 LYS 42 3HZ LYS 42 -19.091 -1.644 3.999 328 HZ2 LYS 42 1HZ LYS 42 -17.947 -0.494 3.520 329 HZ3 LYS 42 2HZ LYS 42 -18.268 -0.736 5.162 330 H PHE 43 H PHE 43 -11.292 -0.750 2.753 331 HA PHE 43 HA PHE 43 -11.839 -3.480 2.243 332 HB2 PHE 43 1HB PHE 43 -9.593 -1.778 1.185 333 HB3 PHE 43 2HB PHE 43 -10.027 -3.389 0.634 334 HD1 PHE 43 1HD PHE 43 -12.945 -1.671 1.494 335 HD2 PHE 43 2HD PHE 43 -10.032 -1.983 -1.607 336 HE1 PHE 43 1HE PHE 43 -14.540 -0.684 -0.101 337 HE2 PHE 43 2HE PHE 43 -11.625 -0.974 -3.188 338 HZ PHE 43 HZ PHE 43 -13.877 -0.331 -2.443 339 H SER 44 H SER 44 -9.885 -1.876 4.521 340 HA SER 44 HA SER 44 -8.029 -4.021 4.868 341 HB2 SER 44 1HB SER 44 -7.266 -2.880 6.796 342 HB3 SER 44 2HB SER 44 -7.660 -1.606 5.658 343 HG SER 44 HG SER 44 -9.714 -1.470 6.794 344 H GLU 45 H GLU 45 -11.272 -3.343 5.610 345 HA GLU 45 HA GLU 45 -11.463 -5.507 7.564 346 HB2 GLU 45 1HB GLU 45 -12.942 -3.510 7.712 347 HB3 GLU 45 2HB GLU 45 -13.649 -3.946 6.163 348 HG2 GLU 45 1HG GLU 45 -15.123 -4.648 7.897 349 HG3 GLU 45 2HG GLU 45 -14.405 -6.081 7.164 350 H GLN 46 H GLN 46 -11.651 -4.960 4.183 351 HA GLN 46 HA GLN 46 -13.206 -7.250 3.540 352 HB2 GLN 46 1HB GLN 46 -11.490 -5.571 1.741 353 HB3 GLN 46 2HB GLN 46 -12.693 -6.743 1.221 354 HG2 GLN 46 1HG GLN 46 -13.229 -4.227 2.785 355 HG3 GLN 46 2HG GLN 46 -13.563 -4.489 1.071 356 HE21 GLN 46 1HE2 GLN 46 -15.266 -5.826 0.472 357 HE22 GLN 46 2HE2 GLN 46 -16.519 -6.267 1.578 358 H TYR 47 H TYR 47 -9.739 -6.636 3.564 359 HA TYR 47 HA TYR 47 -9.400 -9.468 2.858 360 HB2 TYR 47 1HB TYR 47 -6.834 -8.637 2.869 361 HB3 TYR 47 2HB TYR 47 -7.844 -8.795 1.449 362 HD1 TYR 47 2HD TYR 47 -9.058 -6.734 0.654 363 HD2 TYR 47 1HD TYR 47 -5.794 -6.580 3.405 364 HE1 TYR 47 2HE TYR 47 -8.623 -4.402 0.001 365 HE2 TYR 47 1HE TYR 47 -5.362 -4.253 2.734 366 HH TYR 47 HH TYR 47 -7.545 -2.395 0.943 367 HA PRO 48 HA PRO 48 -8.033 -10.075 7.097 368 HB2 PRO 48 1HB PRO 48 -9.085 -12.730 6.891 369 HB3 PRO 48 2HB PRO 48 -9.714 -11.392 7.850 370 HG2 PRO 48 1HG PRO 48 -10.998 -12.512 5.678 371 HG3 PRO 48 2HG PRO 48 -11.305 -10.883 6.304 372 HD2 PRO 48 1HD PRO 48 -9.636 -11.740 3.976 373 HD3 PRO 48 2HD PRO 48 -10.698 -10.325 4.145 374 H GLN 49 H GLN 49 -7.593 -11.719 4.075 375 HA GLN 49 HA GLN 49 -5.472 -13.422 5.113 376 HB2 GLN 49 1HB GLN 49 -5.411 -14.452 2.952 377 HB3 GLN 49 2HB GLN 49 -7.094 -14.291 3.426 378 HG2 GLN 49 1HG GLN 49 -7.553 -12.772 1.815 379 HG3 GLN 49 2HG GLN 49 -5.928 -12.091 1.838 380 HE21 GLN 49 1HE2 GLN 49 -4.278 -13.154 0.725 381 HE22 GLN 49 2HE2 GLN 49 -4.626 -14.228 -0.583 382 H ALA 50 H ALA 50 -5.856 -10.428 3.547 383 HA ALA 50 HA ALA 50 -3.029 -10.373 2.784 384 HB1 ALA 50 1HB ALA 50 -3.625 -8.538 1.265 385 HB2 ALA 50 2HB ALA 50 -5.310 -8.680 1.754 386 HB3 ALA 50 3HB ALA 50 -4.528 -10.004 0.893 387 H ASP 51 H ASP 51 -1.773 -8.716 3.543 388 HA ASP 51 HA ASP 51 -2.860 -7.556 5.972 389 HB2 ASP 51 1HB ASP 51 -0.135 -8.235 5.027 390 HB3 ASP 51 2HB ASP 51 -0.266 -6.846 6.100 391 H PHE 52 H PHE 52 -3.569 -5.665 6.071 392 HA PHE 52 HA PHE 52 -3.137 -3.768 3.934 393 HB2 PHE 52 1HB PHE 52 -4.868 -2.475 5.450 394 HB3 PHE 52 2HB PHE 52 -5.385 -3.817 4.440 395 HD1 PHE 52 1HD PHE 52 -5.658 -6.106 5.513 396 HD2 PHE 52 2HD PHE 52 -5.167 -2.532 7.754 397 HE1 PHE 52 1HE PHE 52 -6.595 -7.224 7.491 398 HE2 PHE 52 2HE PHE 52 -6.105 -3.635 9.731 399 HZ PHE 52 HZ PHE 52 -6.815 -5.989 9.611 400 H TYR 53 H TYR 53 -1.423 -2.435 4.085 401 HA TYR 53 HA TYR 53 -1.189 -0.913 6.605 402 HB2 TYR 53 1HB TYR 53 1.218 -1.421 4.857 403 HB3 TYR 53 2HB TYR 53 1.171 -0.885 6.534 404 HD1 TYR 53 2HD TYR 53 0.921 -3.808 4.305 405 HD2 TYR 53 1HD TYR 53 1.099 -2.459 8.323 406 HE1 TYR 53 2HE TYR 53 1.402 -6.097 5.055 407 HE2 TYR 53 1HE TYR 53 1.593 -4.738 9.082 408 HH TYR 53 HH TYR 53 2.433 -7.245 6.907 409 H LYS 54 H LYS 54 -0.631 1.301 6.302 410 HA LYS 54 HA LYS 54 -0.186 2.225 3.571 411 HB2 LYS 54 1HB LYS 54 -2.488 3.265 5.253 412 HB3 LYS 54 2HB LYS 54 -1.907 4.047 3.785 413 HG2 LYS 54 1HG LYS 54 -2.422 1.976 2.528 414 HG3 LYS 54 2HG LYS 54 -3.075 1.269 3.988 415 HD2 LYS 54 1HD LYS 54 -4.181 3.657 2.491 416 HD3 LYS 54 2HD LYS 54 -4.851 2.046 2.548 417 HE2 LYS 54 1HE LYS 54 -6.173 3.220 4.036 418 HE3 LYS 54 2HE LYS 54 -5.022 2.396 5.077 419 HZ1 LYS 54 3HZ LYS 54 -3.732 4.462 5.174 420 HZ2 LYS 54 1HZ LYS 54 -5.301 4.672 5.762 421 HZ3 LYS 54 2HZ LYS 54 -4.896 5.231 4.221 422 H LEU 55 H LEU 55 1.461 3.605 3.556 423 HA LEU 55 HA LEU 55 2.547 4.335 6.166 424 HB2 LEU 55 1HB LEU 55 3.858 4.379 3.480 425 HB3 LEU 55 2HB LEU 55 4.617 4.511 5.037 426 HG LEU 55 HG LEU 55 3.496 2.124 3.705 427 HD11 LEU 55 1HD1 LEU 55 5.948 2.526 5.362 428 HD12 LEU 55 2HD1 LEU 55 5.886 2.807 3.622 429 HD13 LEU 55 3HD1 LEU 55 5.596 1.187 4.264 430 HD21 LEU 55 3HD2 LEU 55 3.637 0.911 5.849 431 HD22 LEU 55 1HD2 LEU 55 2.347 2.114 5.814 432 HD23 LEU 55 2HD2 LEU 55 3.852 2.461 6.663 433 H ASP 56 H ASP 56 3.600 6.368 6.485 434 HA ASP 56 HA ASP 56 2.448 8.594 4.933 435 HB2 ASP 56 1HB ASP 56 3.505 9.919 6.913 436 HB3 ASP 56 2HB ASP 56 2.012 9.028 7.177 437 H VAL 57 H VAL 57 3.653 9.394 3.385 438 HA VAL 57 HA VAL 57 6.242 8.447 2.877 439 HB VAL 57 HB VAL 57 4.262 9.509 1.393 440 HG11 VAL 57 1HG1 VAL 57 6.389 11.640 1.437 441 HG12 VAL 57 2HG1 VAL 57 4.741 11.806 2.040 442 HG13 VAL 57 3HG1 VAL 57 5.028 11.555 0.317 443 HG21 VAL 57 3HG2 VAL 57 5.887 7.990 0.577 444 HG22 VAL 57 1HG2 VAL 57 7.159 9.209 0.673 445 HG23 VAL 57 2HG2 VAL 57 5.849 9.390 -0.495 446 H ASP 58 H ASP 58 5.265 11.079 4.842 447 HA ASP 58 HA ASP 58 7.524 12.749 4.283 448 HB2 ASP 58 1HB ASP 58 6.786 14.176 6.003 449 HB3 ASP 58 2HB ASP 58 5.318 13.516 5.294 450 H GLU 59 H GLU 59 6.849 10.130 6.492 451 HA GLU 59 HA GLU 59 9.608 10.342 7.476 452 HB2 GLU 59 1HB GLU 59 7.242 8.808 8.547 453 HB3 GLU 59 2HB GLU 59 8.883 8.584 9.139 454 HG2 GLU 59 1HG GLU 59 8.928 11.038 9.650 455 HG3 GLU 59 2HG GLU 59 7.205 11.072 9.279 456 H LEU 60 H LEU 60 7.553 8.545 5.411 457 HA LEU 60 HA LEU 60 9.621 6.483 5.099 458 HB2 LEU 60 1HB LEU 60 6.708 6.535 4.347 459 HB3 LEU 60 2HB LEU 60 7.819 5.371 3.644 460 HG LEU 60 HG LEU 60 6.638 4.307 5.420 461 HD11 LEU 60 1HD1 LEU 60 8.450 3.557 6.828 462 HD12 LEU 60 2HD1 LEU 60 9.408 4.971 6.395 463 HD13 LEU 60 3HD1 LEU 60 9.027 3.756 5.171 464 HD21 LEU 60 3HD2 LEU 60 6.716 5.087 7.737 465 HD22 LEU 60 1HD2 LEU 60 5.924 6.254 6.679 466 HD23 LEU 60 2HD2 LEU 60 7.580 6.534 7.217 467 H GLY 61 H GLY 61 10.304 8.923 4.127 468 HA2 GLY 61 1HA GLY 61 9.538 9.228 1.376 469 HA3 GLY 61 2HA GLY 61 10.782 10.136 2.219 470 H ASP 62 H ASP 62 12.220 7.763 3.076 471 HA ASP 62 HA ASP 62 13.883 7.517 0.776 472 HB2 ASP 62 1HB ASP 62 13.953 6.205 3.487 473 HB3 ASP 62 2HB ASP 62 15.134 5.854 2.232 474 H VAL 63 H VAL 63 11.685 5.295 2.468 475 HA VAL 63 HA VAL 63 12.159 3.085 0.794 476 HB VAL 63 HB VAL 63 10.974 2.705 2.856 477 HG11 VAL 63 1HG1 VAL 63 8.754 3.495 3.289 478 HG12 VAL 63 2HG1 VAL 63 8.759 4.405 1.776 479 HG13 VAL 63 3HG1 VAL 63 9.867 4.845 3.077 480 HG21 VAL 63 3HG2 VAL 63 9.176 2.262 0.494 481 HG22 VAL 63 1HG2 VAL 63 9.013 1.465 2.060 482 HG23 VAL 63 2HG2 VAL 63 10.445 1.176 1.069 483 H ALA 64 H ALA 64 9.900 5.770 0.575 484 HA ALA 64 HA ALA 64 8.478 5.000 -1.684 485 HB1 ALA 64 1HB ALA 64 7.821 6.881 -0.311 486 HB2 ALA 64 2HB ALA 64 8.017 7.397 -1.988 487 HB3 ALA 64 3HB ALA 64 9.264 7.770 -0.797 488 H GLN 65 H GLN 65 11.623 6.553 -1.396 489 HA GLN 65 HA GLN 65 11.822 7.251 -4.155 490 HB2 GLN 65 1HB GLN 65 13.891 7.073 -1.956 491 HB3 GLN 65 2HB GLN 65 14.242 7.657 -3.578 492 HG2 GLN 65 1HG GLN 65 12.675 9.481 -3.284 493 HG3 GLN 65 2HG GLN 65 12.247 8.877 -1.681 494 HE21 GLN 65 1HE2 GLN 65 13.686 9.116 0.002 495 HE22 GLN 65 2HE2 GLN 65 15.050 10.176 -0.078 496 H LYS 66 H LYS 66 12.880 4.562 -2.174 497 HA LYS 66 HA LYS 66 14.503 3.256 -4.016 498 HB2 LYS 66 1HB LYS 66 12.763 2.150 -1.821 499 HB3 LYS 66 2HB LYS 66 14.016 1.248 -2.654 500 HG2 LYS 66 1HG LYS 66 15.560 3.172 -1.848 501 HG3 LYS 66 2HG LYS 66 14.255 3.460 -0.694 502 HD2 LYS 66 1HD LYS 66 15.732 0.857 -1.073 503 HD3 LYS 66 2HD LYS 66 15.990 2.002 0.242 504 HE2 LYS 66 1HE LYS 66 13.693 1.659 0.998 505 HE3 LYS 66 2HE LYS 66 13.417 0.537 -0.333 506 HZ1 LYS 66 3HZ LYS 66 15.342 0.176 1.897 507 HZ2 LYS 66 1HZ LYS 66 15.165 -0.885 0.592 508 HZ3 LYS 66 2HZ LYS 66 13.888 -0.670 1.683 509 H ASN 67 H ASN 67 11.055 3.271 -3.505 510 HA ASN 67 HA ASN 67 10.699 1.253 -5.591 511 HB2 ASN 67 1HB ASN 67 8.819 2.355 -3.504 512 HB3 ASN 67 2HB ASN 67 8.309 1.254 -4.780 513 HD21 ASN 67 1HD2 ASN 67 10.220 1.612 -1.892 514 HD22 ASN 67 2HD2 ASN 67 10.471 -0.077 -1.602 515 H GLU 68 H GLU 68 11.247 4.312 -5.745 516 HA GLU 68 HA GLU 68 10.922 5.888 -7.357 517 HB2 GLU 68 1HB GLU 68 9.459 3.671 -8.801 518 HB3 GLU 68 2HB GLU 68 10.070 5.151 -9.527 519 HG2 GLU 68 1HG GLU 68 12.307 4.484 -9.253 520 HG3 GLU 68 2HG GLU 68 11.865 3.179 -8.152 521 H VAL 69 H VAL 69 9.081 5.879 -5.233 522 HA VAL 69 HA VAL 69 6.445 6.219 -6.446 523 HB VAL 69 HB VAL 69 7.271 6.275 -3.540 524 HG11 VAL 69 1HG1 VAL 69 4.874 6.162 -3.055 525 HG12 VAL 69 2HG1 VAL 69 4.520 6.290 -4.778 526 HG13 VAL 69 3HG1 VAL 69 5.286 7.636 -3.932 527 HG21 VAL 69 3HG2 VAL 69 7.526 4.073 -4.530 528 HG22 VAL 69 1HG2 VAL 69 5.883 4.149 -5.165 529 HG23 VAL 69 2HG2 VAL 69 6.152 4.093 -3.423 530 H SER 70 H SER 70 6.111 8.129 -7.322 531 HA SER 70 HA SER 70 6.979 10.527 -5.884 532 HB2 SER 70 1HB SER 70 7.813 10.245 -8.215 533 HB3 SER 70 2HB SER 70 6.142 10.308 -8.743 534 HG SER 70 HG SER 70 6.132 12.415 -7.530 535 H ALA 71 H ALA 71 4.271 9.080 -7.631 536 HA ALA 71 HA ALA 71 2.424 11.135 -6.878 537 HB1 ALA 71 1HB ALA 71 0.725 9.683 -7.861 538 HB2 ALA 71 2HB ALA 71 1.899 8.372 -7.973 539 HB3 ALA 71 3HB ALA 71 2.119 9.837 -8.930 540 H MET 72 H MET 72 0.638 10.900 -5.434 541 HA MET 72 HA MET 72 0.746 8.647 -3.579 542 HB2 MET 72 1HB MET 72 0.748 10.029 -1.617 543 HB3 MET 72 2HB MET 72 2.106 10.524 -2.616 544 HG2 MET 72 1HG MET 72 -0.547 11.940 -2.481 545 HG3 MET 72 2HG MET 72 0.901 12.412 -1.597 546 HE1 MET 72 3HE MET 72 -1.011 14.076 -3.746 547 HE2 MET 72 1HE MET 72 0.216 15.057 -4.550 548 HE3 MET 72 2HE MET 72 0.251 14.866 -2.798 549 HA PRO 73 HA PRO 73 -0.280 7.858 -2.011 550 HB2 PRO 73 1HB PRO 73 -2.174 5.988 -1.636 551 HB3 PRO 73 2HB PRO 73 -2.141 7.490 -0.704 552 HG2 PRO 73 1HG PRO 73 -3.843 6.742 -3.039 553 HG3 PRO 73 2HG PRO 73 -4.272 7.651 -1.581 554 HD2 PRO 73 1HD PRO 73 -3.698 8.794 -4.019 555 HD3 PRO 73 2HD PRO 73 -3.559 9.623 -2.459 556 H THR 74 H THR 74 0.467 5.685 -2.353 557 HA THR 74 HA THR 74 0.019 4.655 -5.056 558 HB THR 74 HB THR 74 2.665 5.151 -3.702 559 HG1 THR 74 1HG THR 74 2.381 6.874 -4.933 560 HG21 THR 74 3HG2 THR 74 2.744 2.914 -4.658 561 HG22 THR 74 1HG2 THR 74 3.722 4.025 -5.615 562 HG23 THR 74 2HG2 THR 74 2.130 3.529 -6.190 563 H LEU 75 H LEU 75 -0.604 2.615 -5.007 564 HA LEU 75 HA LEU 75 -0.247 1.076 -2.536 565 HB2 LEU 75 1HB LEU 75 -2.308 1.200 -4.673 566 HB3 LEU 75 2HB LEU 75 -2.039 -0.333 -3.877 567 HG LEU 75 HG LEU 75 -3.921 0.904 -2.902 568 HD11 LEU 75 1HD1 LEU 75 -1.546 0.609 -1.079 569 HD12 LEU 75 2HD1 LEU 75 -2.722 -0.635 -1.497 570 HD13 LEU 75 3HD1 LEU 75 -3.222 0.768 -0.555 571 HD21 LEU 75 3HD2 LEU 75 -3.493 2.939 -1.585 572 HD22 LEU 75 1HD2 LEU 75 -3.204 3.172 -3.309 573 HD23 LEU 75 2HD2 LEU 75 -1.842 2.970 -2.207 574 H LEU 76 H LEU 76 1.477 -0.257 -2.705 575 HA LEU 76 HA LEU 76 1.758 -1.740 -5.238 576 HB2 LEU 76 1HB LEU 76 4.044 -1.095 -3.368 577 HB3 LEU 76 2HB LEU 76 4.144 -1.773 -4.979 578 HG LEU 76 HG LEU 76 3.381 1.055 -4.266 579 HD11 LEU 76 1HD1 LEU 76 5.434 1.638 -5.444 580 HD12 LEU 76 2HD1 LEU 76 5.769 -0.072 -5.721 581 HD13 LEU 76 3HD1 LEU 76 5.766 0.572 -4.078 582 HD21 LEU 76 3HD2 LEU 76 2.073 0.338 -6.165 583 HD22 LEU 76 1HD2 LEU 76 3.516 -0.300 -6.952 584 HD23 LEU 76 2HD2 LEU 76 3.345 1.436 -6.699 585 H LEU 77 H LEU 77 1.177 -3.775 -4.946 586 HA LEU 77 HA LEU 77 1.432 -4.865 -2.258 587 HB2 LEU 77 1HB LEU 77 0.301 -6.456 -4.491 588 HB3 LEU 77 2HB LEU 77 -0.165 -6.394 -2.804 589 HG LEU 77 HG LEU 77 -0.906 -4.482 -5.003 590 HD11 LEU 77 1HD1 LEU 77 -2.195 -6.566 -4.688 591 HD12 LEU 77 2HD1 LEU 77 -3.151 -5.112 -4.373 592 HD13 LEU 77 3HD1 LEU 77 -2.540 -6.071 -3.018 593 HD21 LEU 77 3HD2 LEU 77 -0.485 -2.960 -3.294 594 HD22 LEU 77 1HD2 LEU 77 -1.030 -4.069 -2.039 595 HD23 LEU 77 2HD2 LEU 77 -2.202 -3.319 -3.115 596 H PHE 78 H PHE 78 2.784 -6.442 -1.712 597 HA PHE 78 HA PHE 78 4.638 -7.334 -3.794 598 HB2 PHE 78 1HB PHE 78 5.106 -6.167 -1.145 599 HB3 PHE 78 2HB PHE 78 6.090 -7.574 -1.501 600 HD1 PHE 78 1HD PHE 78 5.130 -4.218 -2.743 601 HD2 PHE 78 2HD PHE 78 7.974 -7.381 -2.906 602 HE1 PHE 78 1HE PHE 78 6.645 -2.782 -4.042 603 HE2 PHE 78 2HE PHE 78 9.495 -5.949 -4.207 604 HZ PHE 78 HZ PHE 78 8.831 -3.647 -4.777 605 H LYS 79 H LYS 79 5.632 -9.369 -3.525 606 HA LYS 79 HA LYS 79 4.373 -11.193 -1.632 607 HB2 LYS 79 1HB LYS 79 3.028 -11.221 -3.658 608 HB3 LYS 79 2HB LYS 79 4.448 -11.530 -4.633 609 HG2 LYS 79 1HG LYS 79 4.648 -13.732 -3.698 610 HG3 LYS 79 2HG LYS 79 3.388 -13.394 -2.509 611 HD2 LYS 79 1HD LYS 79 1.780 -13.082 -4.373 612 HD3 LYS 79 2HD LYS 79 3.047 -13.555 -5.503 613 HE2 LYS 79 1HE LYS 79 2.003 -15.277 -3.260 614 HE3 LYS 79 2HE LYS 79 1.491 -15.396 -4.940 615 HZ1 LYS 79 3HZ LYS 79 3.144 -17.044 -4.495 616 HZ2 LYS 79 1HZ LYS 79 4.222 -15.891 -3.888 617 HZ3 LYS 79 2HZ LYS 79 3.813 -15.888 -5.529 618 H ASN 80 H ASN 80 5.972 -12.146 -0.642 619 HA ASN 80 HA ASN 80 8.061 -12.815 -0.058 620 HB2 ASN 80 1HB ASN 80 9.016 -14.624 -1.484 621 HB3 ASN 80 2HB ASN 80 7.321 -14.855 -1.084 622 HD21 ASN 80 1HD2 ASN 80 5.785 -14.707 -2.678 623 HD22 ASN 80 2HD2 ASN 80 6.171 -14.686 -4.364 624 H GLY 81 H GLY 81 8.121 -10.267 -1.236 625 HA2 GLY 81 1HA GLY 81 9.788 -8.746 -1.693 626 HA3 GLY 81 2HA GLY 81 10.935 -10.074 -1.705 627 H LYS 82 H LYS 82 8.414 -10.740 -3.812 628 HA LYS 82 HA LYS 82 10.045 -9.820 -6.084 629 HB2 LYS 82 1HB LYS 82 8.526 -12.339 -5.577 630 HB3 LYS 82 2HB LYS 82 8.761 -11.791 -7.225 631 HG2 LYS 82 1HG LYS 82 10.919 -12.434 -5.231 632 HG3 LYS 82 2HG LYS 82 10.453 -13.408 -6.624 633 HD2 LYS 82 1HD LYS 82 11.691 -10.654 -6.671 634 HD3 LYS 82 2HD LYS 82 12.458 -12.166 -7.150 635 HE2 LYS 82 1HE LYS 82 10.856 -12.410 -8.978 636 HE3 LYS 82 2HE LYS 82 10.059 -10.917 -8.489 637 HZ1 LYS 82 3HZ LYS 82 12.864 -11.148 -9.434 638 HZ2 LYS 82 1HZ LYS 82 12.097 -9.717 -8.964 639 HZ3 LYS 82 2HZ LYS 82 11.563 -10.549 -10.334 640 H GLU 83 H GLU 83 7.579 -8.821 -4.524 641 HA GLU 83 HA GLU 83 5.864 -7.432 -4.994 642 HB2 GLU 83 1HB GLU 83 7.494 -6.652 -6.789 643 HB3 GLU 83 2HB GLU 83 6.606 -7.670 -7.908 644 HG2 GLU 83 1HG GLU 83 4.572 -6.355 -7.436 645 HG3 GLU 83 2HG GLU 83 5.529 -5.302 -6.394 646 H VAL 84 H VAL 84 3.738 -7.336 -6.282 647 HA VAL 84 HA VAL 84 3.040 -9.818 -7.590 648 HB VAL 84 HB VAL 84 2.475 -9.882 -5.060 649 HG11 VAL 84 1HG1 VAL 84 0.363 -8.054 -6.096 650 HG12 VAL 84 2HG1 VAL 84 1.359 -7.911 -4.647 651 HG13 VAL 84 3HG1 VAL 84 0.066 -9.117 -4.719 652 HG21 VAL 84 3HG2 VAL 84 0.484 -11.244 -5.519 653 HG22 VAL 84 1HG2 VAL 84 1.826 -11.598 -6.611 654 HG23 VAL 84 2HG2 VAL 84 0.472 -10.616 -7.169 655 H ALA 85 H ALA 85 2.322 -6.514 -6.726 656 HA ALA 85 HA ALA 85 1.089 -6.052 -9.303 657 HB1 ALA 85 1HB ALA 85 -0.850 -6.768 -8.024 658 HB2 ALA 85 2HB ALA 85 -0.942 -5.038 -8.370 659 HB3 ALA 85 3HB ALA 85 -0.470 -5.595 -6.761 660 H LYS 86 H LYS 86 0.666 -3.755 -9.653 661 HA LYS 86 HA LYS 86 1.916 -1.970 -7.747 662 HB2 LYS 86 1HB LYS 86 3.758 -2.648 -9.199 663 HB3 LYS 86 2HB LYS 86 2.822 -2.224 -10.622 664 HG2 LYS 86 1HG LYS 86 3.568 -0.144 -10.542 665 HG3 LYS 86 2HG LYS 86 2.990 0.043 -8.886 666 HD2 LYS 86 1HD LYS 86 5.053 -1.012 -8.064 667 HD3 LYS 86 2HD LYS 86 5.627 -1.161 -9.724 668 HE2 LYS 86 1HE LYS 86 4.869 1.494 -8.532 669 HE3 LYS 86 2HE LYS 86 6.486 0.812 -8.347 670 HZ1 LYS 86 3HZ LYS 86 5.169 1.309 -10.963 671 HZ2 LYS 86 1HZ LYS 86 6.768 0.816 -10.707 672 HZ3 LYS 86 2HZ LYS 86 6.273 2.361 -10.229 673 H VAL 87 H VAL 87 0.309 -0.550 -7.383 674 HA VAL 87 HA VAL 87 -0.888 0.726 -9.754 675 HB VAL 87 HB VAL 87 -2.258 0.568 -7.062 676 HG11 VAL 87 1HG1 VAL 87 -3.222 1.322 -9.826 677 HG12 VAL 87 2HG1 VAL 87 -2.896 2.433 -8.493 678 HG13 VAL 87 3HG1 VAL 87 -4.219 1.268 -8.372 679 HG21 VAL 87 3HG2 VAL 87 -2.025 -1.706 -8.025 680 HG22 VAL 87 1HG2 VAL 87 -2.853 -1.147 -9.479 681 HG23 VAL 87 2HG2 VAL 87 -3.703 -1.164 -7.928 682 H VAL 88 H VAL 88 -0.611 2.873 -9.894 683 HA VAL 88 HA VAL 88 0.637 4.176 -7.571 684 HB VAL 88 HB VAL 88 1.679 4.640 -10.344 685 HG11 VAL 88 1HG1 VAL 88 3.770 5.112 -9.015 686 HG12 VAL 88 2HG1 VAL 88 2.768 4.992 -7.565 687 HG13 VAL 88 3HG1 VAL 88 2.429 6.235 -8.772 688 HG21 VAL 88 3HG2 VAL 88 2.752 2.541 -8.471 689 HG22 VAL 88 1HG2 VAL 88 3.332 2.924 -10.090 690 HG23 VAL 88 2HG2 VAL 88 1.736 2.189 -9.872 691 H GLY 89 H GLY 89 -1.466 5.230 -7.341 692 HA2 GLY 89 1HA GLY 89 -1.426 7.834 -7.748 693 HA3 GLY 89 2HA GLY 89 -1.961 7.313 -9.336 694 H ALA 90 H ALA 90 -2.774 7.114 -5.889 695 HA ALA 90 HA ALA 90 -4.770 7.184 -4.788 696 HB1 ALA 90 1HB ALA 90 -5.587 8.816 -7.189 697 HB2 ALA 90 2HB ALA 90 -4.741 9.429 -5.766 698 HB3 ALA 90 3HB ALA 90 -6.384 8.807 -5.616 699 H ASN 91 H ASN 91 -5.160 4.902 -5.026 700 HA ASN 91 HA ASN 91 -7.289 4.302 -6.962 701 HB2 ASN 91 1HB ASN 91 -6.377 1.987 -7.078 702 HB3 ASN 91 2HB ASN 91 -5.295 3.207 -7.740 703 HD21 ASN 91 1HD2 ASN 91 -5.041 0.457 -6.431 704 HD22 ASN 91 2HD2 ASN 91 -3.763 0.669 -5.292 705 HA PRO 92 HA PRO 92 -9.082 2.872 -3.002 706 HB2 PRO 92 1HB PRO 92 -11.576 4.014 -3.922 707 HB3 PRO 92 2HB PRO 92 -10.634 4.448 -2.497 708 HG2 PRO 92 1HG PRO 92 -10.963 6.075 -4.685 709 HG3 PRO 92 2HG PRO 92 -9.605 6.179 -3.553 710 HD2 PRO 92 1HD PRO 92 -9.726 4.941 -6.269 711 HD3 PRO 92 2HD PRO 92 -8.398 5.828 -5.492 712 H ALA 93 H ALA 93 -10.424 3.020 -6.287 713 HA ALA 93 HA ALA 93 -11.903 0.549 -5.887 714 HB1 ALA 93 1HB ALA 93 -11.639 2.288 -8.335 715 HB2 ALA 93 2HB ALA 93 -12.944 2.356 -7.152 716 HB3 ALA 93 3HB ALA 93 -12.735 0.920 -8.152 717 H ALA 94 H ALA 94 -9.200 1.751 -7.811 718 HA ALA 94 HA ALA 94 -8.742 -0.674 -9.209 719 HB1 ALA 94 1HB ALA 94 -8.005 1.437 -10.131 720 HB2 ALA 94 2HB ALA 94 -6.631 0.352 -9.917 721 HB3 ALA 94 3HB ALA 94 -6.900 1.671 -8.782 722 H ILE 95 H ILE 95 -7.891 0.363 -6.011 723 HA ILE 95 HA ILE 95 -5.734 -1.377 -5.581 724 HB ILE 95 HB ILE 95 -6.702 0.243 -3.838 725 HG12 ILE 95 1HG1 ILE 95 -5.740 -0.994 -2.041 726 HG13 ILE 95 2HG1 ILE 95 -6.213 -2.540 -2.745 727 HG21 ILE 95 1HG2 ILE 95 -8.470 -2.118 -3.236 728 HG22 ILE 95 2HG2 ILE 95 -9.012 -0.578 -3.918 729 HG23 ILE 95 3HG2 ILE 95 -8.341 -0.630 -2.289 730 HD11 ILE 95 3HD1 ILE 95 -4.527 -2.389 -4.397 731 HD12 ILE 95 1HD1 ILE 95 -3.781 -2.004 -2.851 732 HD13 ILE 95 2HD1 ILE 95 -4.175 -0.712 -3.985 733 H LYS 96 H LYS 96 -9.193 -1.866 -5.710 734 HA LYS 96 HA LYS 96 -9.252 -4.509 -4.795 735 HB2 LYS 96 1HB LYS 96 -11.062 -3.037 -6.695 736 HB3 LYS 96 2HB LYS 96 -11.349 -4.712 -6.245 737 HG2 LYS 96 1HG LYS 96 -11.195 -2.381 -4.356 738 HG3 LYS 96 2HG LYS 96 -12.670 -3.178 -4.897 739 HD2 LYS 96 1HD LYS 96 -10.442 -4.540 -3.373 740 HD3 LYS 96 2HD LYS 96 -11.913 -3.894 -2.637 741 HE2 LYS 96 1HE LYS 96 -11.814 -6.053 -4.747 742 HE3 LYS 96 2HE LYS 96 -12.055 -6.319 -3.021 743 HZ1 LYS 96 3HZ LYS 96 -14.154 -6.339 -4.208 744 HZ2 LYS 96 1HZ LYS 96 -13.868 -4.784 -4.807 745 HZ3 LYS 96 2HZ LYS 96 -14.096 -5.022 -3.151 746 H GLN 97 H GLN 97 -8.644 -3.165 -7.984 747 HA GLN 97 HA GLN 97 -8.469 -5.438 -9.534 748 HB2 GLN 97 1HB GLN 97 -8.224 -3.200 -10.455 749 HB3 GLN 97 2HB GLN 97 -6.739 -2.955 -9.557 750 HG2 GLN 97 1HG GLN 97 -6.784 -5.244 -11.427 751 HG3 GLN 97 2HG GLN 97 -6.812 -3.634 -12.139 752 HE21 GLN 97 1HE2 GLN 97 -4.927 -5.981 -10.452 753 HE22 GLN 97 2HE2 GLN 97 -3.422 -5.120 -10.489 754 H ALA 98 H ALA 98 -5.791 -3.902 -7.746 755 HA ALA 98 HA ALA 98 -4.049 -6.131 -8.172 756 HB1 ALA 98 1HB ALA 98 -3.788 -3.775 -6.299 757 HB2 ALA 98 2HB ALA 98 -3.137 -3.881 -7.933 758 HB3 ALA 98 3HB ALA 98 -2.494 -4.923 -6.659 759 H ILE 99 H ILE 99 -6.158 -5.145 -5.671 760 HA ILE 99 HA ILE 99 -4.978 -6.720 -3.626 761 HB ILE 99 HB ILE 99 -6.730 -4.589 -3.684 762 HG12 ILE 99 1HG1 ILE 99 -5.155 -4.805 -1.972 763 HG13 ILE 99 2HG1 ILE 99 -6.714 -4.943 -1.161 764 HG21 ILE 99 1HG2 ILE 99 -8.248 -6.775 -2.321 765 HG22 ILE 99 2HG2 ILE 99 -8.618 -6.218 -3.952 766 HG23 ILE 99 3HG2 ILE 99 -8.728 -5.094 -2.594 767 HD11 ILE 99 3HD1 ILE 99 -4.646 -7.001 -1.611 768 HD12 ILE 99 1HD1 ILE 99 -6.340 -7.509 -1.673 769 HD13 ILE 99 2HD1 ILE 99 -5.694 -6.727 -0.218 770 H ALA 100 H ALA 100 -7.781 -7.148 -5.704 771 HA ALA 100 HA ALA 100 -8.539 -9.518 -4.231 772 HB1 ALA 100 1HB ALA 100 -10.304 -7.993 -4.927 773 HB2 ALA 100 2HB ALA 100 -10.514 -9.573 -5.681 774 HB3 ALA 100 3HB ALA 100 -9.863 -8.229 -6.618 775 H ALA 101 H ALA 101 -7.112 -8.646 -7.313 776 HA ALA 101 HA ALA 101 -7.342 -11.277 -8.420 777 HB1 ALA 101 1HB ALA 101 -5.566 -8.991 -9.266 778 HB2 ALA 101 2HB ALA 101 -7.196 -9.309 -9.860 779 HB3 ALA 101 3HB ALA 101 -5.897 -10.452 -10.199 780 H ASN 102 H ASN 102 -4.817 -9.453 -6.724 781 HA ASN 102 HA ASN 102 -2.914 -11.588 -7.268 782 HB2 ASN 102 1HB ASN 102 -2.628 -8.943 -5.873 783 HB3 ASN 102 2HB ASN 102 -1.311 -10.102 -6.012 784 HD21 ASN 102 1HD2 ASN 102 -3.130 -7.703 -7.541 785 HD22 ASN 102 2HD2 ASN 102 -2.356 -7.753 -9.092 786 H ALA 103 H ALA 103 -4.088 -10.048 -4.261 787 HA ALA 103 HA ALA 103 -3.051 -11.722 -2.382 788 HB1 ALA 103 1HB ALA 103 -4.847 -11.169 -0.931 789 HB2 ALA 103 2HB ALA 103 -5.928 -10.851 -2.285 790 HB3 ALA 103 3HB ALA 103 -4.578 -9.767 -1.967
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