NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13607 | 1v85 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 21.307 4.218 -7.834 2 HA2 GLY 1 1HA GLY 1 22.224 5.077 -9.951 3 HA3 GLY 1 2HA GLY 1 22.164 3.321 -9.987 4 H SER 2 H SER 2 21.902 3.088 -12.174 5 HA SER 2 HA SER 2 19.713 4.485 -13.497 6 HB2 SER 2 1HB SER 2 20.618 3.568 -15.564 7 HB3 SER 2 2HB SER 2 21.919 4.294 -14.621 8 HG SER 2 HG SER 2 21.296 1.533 -14.524 9 H SER 3 H SER 3 18.843 2.728 -11.538 10 HA SER 3 HA SER 3 17.963 0.314 -12.928 11 HB2 SER 3 1HB SER 3 17.642 1.173 -10.043 12 HB3 SER 3 2HB SER 3 17.085 -0.364 -10.704 13 HG SER 3 HG SER 3 19.178 -0.452 -9.682 14 H GLY 4 H GLY 4 16.273 0.687 -14.235 15 HA2 GLY 4 1HA GLY 4 14.282 1.598 -15.002 16 HA3 GLY 4 2HA GLY 4 13.703 0.929 -13.483 17 H SER 5 H SER 5 12.136 2.568 -13.304 18 HA SER 5 HA SER 5 12.670 5.320 -13.424 19 HB2 SER 5 1HB SER 5 10.522 5.631 -12.373 20 HB3 SER 5 2HB SER 5 10.394 4.264 -13.479 21 HG SER 5 HG SER 5 9.542 4.091 -11.194 22 H SER 6 H SER 6 12.272 6.773 -11.429 23 HA SER 6 HA SER 6 14.431 6.356 -9.637 24 HB2 SER 6 1HB SER 6 12.225 8.397 -9.802 25 HB3 SER 6 2HB SER 6 13.355 8.385 -8.448 26 HG SER 6 HG SER 6 14.915 9.056 -9.725 27 H GLY 7 H GLY 7 14.342 4.751 -8.187 28 HA2 GLY 7 1HA GLY 7 12.737 4.886 -5.913 29 HA3 GLY 7 2HA GLY 7 11.961 3.763 -7.019 30 H GLU 8 H GLU 8 13.338 3.431 -4.360 31 HA GLU 8 HA GLU 8 15.102 1.232 -5.197 32 HB2 GLU 8 1HB GLU 8 16.422 3.189 -4.373 33 HB3 GLU 8 2HB GLU 8 15.609 3.030 -2.822 34 HG2 GLU 8 1HG GLU 8 16.503 0.641 -2.796 35 HG3 GLU 8 2HG GLU 8 17.559 1.156 -4.110 36 H HIS 9 H HIS 9 14.923 -0.650 -4.053 37 HA HIS 9 HA HIS 9 12.587 -0.885 -2.347 38 HB2 HIS 9 1HB HIS 9 12.927 -3.289 -2.535 39 HB3 HIS 9 2HB HIS 9 13.003 -2.546 -4.130 40 HD1 HIS 9 1HD HIS 9 14.276 -5.286 -3.664 41 HD2 HIS 9 2HD HIS 9 16.331 -1.693 -3.310 42 HE1 HIS 9 1HE HIS 9 16.701 -5.864 -3.996 43 HE2 HIS 9 2HE HIS 9 17.933 -3.688 -3.693 44 H GLY 10 H GLY 10 13.305 0.224 -0.481 45 HA2 GLY 10 1HA GLY 10 14.292 -1.312 1.583 46 HA3 GLY 10 2HA GLY 10 15.697 -0.512 0.895 47 H LEU 11 H LEU 11 14.653 1.956 0.236 48 HA LEU 11 HA LEU 11 14.670 3.247 2.769 49 HB2 LEU 11 1HB LEU 11 14.756 5.241 1.605 50 HB3 LEU 11 2HB LEU 11 15.508 4.101 0.491 51 HG LEU 11 HG LEU 11 14.119 5.509 -0.806 52 HD11 LEU 11 1HD1 LEU 11 13.935 3.327 -1.624 53 HD12 LEU 11 2HD1 LEU 11 12.269 3.896 -1.516 54 HD13 LEU 11 3HD1 LEU 11 12.913 2.813 -0.282 55 HD21 LEU 11 3HD2 LEU 11 12.131 6.373 -0.187 56 HD22 LEU 11 1HD2 LEU 11 12.690 5.953 1.433 57 HD23 LEU 11 2HD2 LEU 11 11.593 4.874 0.572 58 H LEU 12 H LEU 12 12.232 1.692 1.134 59 HA LEU 12 HA LEU 12 9.977 3.222 1.277 60 HB2 LEU 12 1HB LEU 12 10.520 0.328 1.634 61 HB3 LEU 12 2HB LEU 12 8.927 0.917 2.101 62 HG LEU 12 HG LEU 12 9.072 -0.032 -0.208 63 HD11 LEU 12 1HD1 LEU 12 7.328 1.579 0.526 64 HD12 LEU 12 2HD1 LEU 12 7.684 1.650 -1.200 65 HD13 LEU 12 3HD1 LEU 12 8.324 2.886 -0.116 66 HD21 LEU 12 3HD2 LEU 12 10.869 2.350 -0.577 67 HD22 LEU 12 1HD2 LEU 12 10.027 1.578 -1.921 68 HD23 LEU 12 2HD2 LEU 12 11.192 0.660 -0.967 69 H VAL 13 H VAL 13 11.091 1.092 3.917 70 HA VAL 13 HA VAL 13 9.268 2.074 5.827 71 HB VAL 13 HB VAL 13 10.621 0.948 7.499 72 HG11 VAL 13 1HG1 VAL 13 10.955 -1.040 5.393 73 HG12 VAL 13 2HG1 VAL 13 9.925 -1.067 6.826 74 HG13 VAL 13 3HG1 VAL 13 9.380 -0.249 5.362 75 HG21 VAL 13 3HG2 VAL 13 12.745 -0.175 6.795 76 HG22 VAL 13 1HG2 VAL 13 12.678 0.765 5.305 77 HG23 VAL 13 2HG2 VAL 13 12.833 1.585 6.859 78 H HIS 14 H HIS 14 12.677 2.861 5.213 79 HA HIS 14 HA HIS 14 13.164 4.602 7.287 80 HB2 HIS 14 1HB HIS 14 14.145 4.594 4.439 81 HB3 HIS 14 2HB HIS 14 14.711 5.783 5.608 82 HD1 HIS 14 1HD HIS 14 15.687 4.553 7.922 83 HD2 HIS 14 2HD HIS 14 15.698 2.390 4.375 84 HE1 HIS 14 1HE HIS 14 17.351 2.700 8.270 85 HE2 HIS 14 2HE HIS 14 17.403 1.456 6.081 86 H LYS 15 H LYS 15 11.291 5.130 4.386 87 HA LYS 15 HA LYS 15 10.886 7.943 5.119 88 HB2 LYS 15 1HB LYS 15 11.521 7.725 2.837 89 HB3 LYS 15 2HB LYS 15 10.386 6.408 2.573 90 HG2 LYS 15 1HG LYS 15 8.555 8.105 3.083 91 HG3 LYS 15 2HG LYS 15 9.810 9.333 2.899 92 HD2 LYS 15 1HD LYS 15 10.291 8.102 0.650 93 HD3 LYS 15 2HD LYS 15 8.653 7.478 0.858 94 HE2 LYS 15 1HE LYS 15 8.202 9.376 -0.332 95 HE3 LYS 15 2HE LYS 15 8.112 10.019 1.307 96 HZ1 LYS 15 3HZ LYS 15 9.948 11.250 1.013 97 HZ2 LYS 15 1HZ LYS 15 9.607 11.077 -0.635 98 HZ3 LYS 15 2HZ LYS 15 10.746 10.068 0.103 99 H ALA 16 H ALA 16 9.079 8.541 6.109 100 HA ALA 16 HA ALA 16 7.134 6.896 7.085 101 HB1 ALA 16 3HB ALA 16 5.703 8.911 7.285 102 HB2 ALA 16 1HB ALA 16 7.353 9.162 7.855 103 HB3 ALA 16 2HB ALA 16 6.858 9.788 6.282 104 H VAL 17 H VAL 17 5.262 5.998 6.393 105 HA VAL 17 HA VAL 17 4.841 5.666 3.610 106 HB VAL 17 HB VAL 17 3.101 4.959 5.973 107 HG11 VAL 17 1HG1 VAL 17 1.642 5.212 4.094 108 HG12 VAL 17 2HG1 VAL 17 2.744 4.311 3.051 109 HG13 VAL 17 3HG1 VAL 17 1.894 3.487 4.359 110 HG21 VAL 17 3HG2 VAL 17 5.379 3.840 5.570 111 HG22 VAL 17 1HG2 VAL 17 3.976 2.800 5.813 112 HG23 VAL 17 2HG2 VAL 17 4.601 3.071 4.187 113 H ASP 18 H ASP 18 3.684 7.951 5.922 114 HA ASP 18 HA ASP 18 1.369 8.762 4.427 115 HB2 ASP 18 1HB ASP 18 2.631 10.568 6.437 116 HB3 ASP 18 2HB ASP 18 0.928 10.211 6.160 117 H LYS 19 H LYS 19 4.539 9.054 3.757 118 HA LYS 19 HA LYS 19 4.209 11.685 2.471 119 HB2 LYS 19 1HB LYS 19 6.545 10.371 3.775 120 HB3 LYS 19 2HB LYS 19 6.854 11.416 2.395 121 HG2 LYS 19 1HG LYS 19 7.054 12.579 4.555 122 HG3 LYS 19 2HG LYS 19 5.817 13.279 3.508 123 HD2 LYS 19 1HD LYS 19 4.068 12.273 4.767 124 HD3 LYS 19 2HD LYS 19 5.207 11.268 5.666 125 HE2 LYS 19 1HE LYS 19 4.668 12.981 7.157 126 HE3 LYS 19 2HE LYS 19 6.215 13.483 6.476 127 HZ1 LYS 19 3HZ LYS 19 5.299 15.278 5.557 128 HZ2 LYS 19 1HZ LYS 19 3.978 15.003 6.578 129 HZ3 LYS 19 2HZ LYS 19 3.950 14.433 4.986 130 H TRP 20 H TRP 20 4.199 8.454 1.865 131 HA TRP 20 HA TRP 20 5.800 8.214 -0.444 132 HB2 TRP 20 1HB TRP 20 3.349 6.675 0.433 133 HB3 TRP 20 2HB TRP 20 4.359 6.221 -0.937 134 HD1 TRP 20 HD TRP 20 6.570 7.499 1.695 135 HE1 TRP 20 1HE TRP 20 7.643 5.567 3.014 136 HE3 TRP 20 3HE TRP 20 3.600 3.665 0.078 137 HZ2 TRP 20 2HZ TRP 20 7.279 2.785 3.327 138 HZ3 TRP 20 3HZ TRP 20 4.029 1.399 0.935 139 HH2 TRP 20 HH TRP 20 5.832 0.970 2.526 140 H THR 21 H THR 21 4.830 7.699 -2.645 141 HA THR 21 HA THR 21 2.696 9.636 -3.267 142 HB THR 21 HB THR 21 3.812 9.869 -5.524 143 HG1 THR 21 1HG THR 21 5.435 8.014 -4.415 144 HG21 THR 21 3HG2 THR 21 5.500 10.761 -3.186 145 HG22 THR 21 1HG2 THR 21 4.000 11.544 -3.681 146 HG23 THR 21 2HG2 THR 21 5.386 11.524 -4.771 147 H THR 22 H THR 22 1.506 9.163 -5.279 148 HA THR 22 HA THR 22 0.224 6.775 -5.304 149 HB THR 22 HB THR 22 0.795 8.098 -7.938 150 HG1 THR 22 1HG THR 22 -0.725 9.696 -7.381 151 HG21 THR 22 3HG2 THR 22 -0.693 6.075 -7.720 152 HG22 THR 22 1HG2 THR 22 -1.450 7.487 -8.457 153 HG23 THR 22 2HG2 THR 22 -1.794 7.078 -6.776 154 H GLU 23 H GLU 23 3.402 7.403 -6.493 155 HA GLU 23 HA GLU 23 3.554 5.018 -8.110 156 HB2 GLU 23 1HB GLU 23 4.888 7.301 -8.289 157 HB3 GLU 23 2HB GLU 23 5.993 6.476 -7.199 158 HG2 GLU 23 1HG GLU 23 6.595 4.913 -8.766 159 HG3 GLU 23 2HG GLU 23 5.095 5.087 -9.674 160 H GLU 24 H GLU 24 5.337 6.106 -5.214 161 HA GLU 24 HA GLU 24 6.518 3.671 -4.597 162 HB2 GLU 24 1HB GLU 24 5.676 5.947 -2.801 163 HB3 GLU 24 2HB GLU 24 6.623 4.576 -2.239 164 HG2 GLU 24 1HG GLU 24 7.401 6.804 -4.046 165 HG3 GLU 24 2HG GLU 24 8.263 6.109 -2.675 166 H VAL 25 H VAL 25 3.355 4.941 -3.678 167 HA VAL 25 HA VAL 25 2.579 3.081 -1.790 168 HB VAL 25 HB VAL 25 0.848 4.351 -3.916 169 HG11 VAL 25 1HG1 VAL 25 0.097 2.271 -2.400 170 HG12 VAL 25 2HG1 VAL 25 -0.266 3.592 -1.287 171 HG13 VAL 25 3HG1 VAL 25 -1.005 3.558 -2.888 172 HG21 VAL 25 3HG2 VAL 25 0.531 5.473 -1.312 173 HG22 VAL 25 1HG2 VAL 25 2.243 5.483 -1.738 174 HG23 VAL 25 2HG2 VAL 25 1.065 6.258 -2.799 175 H VAL 26 H VAL 26 2.294 2.870 -5.324 176 HA VAL 26 HA VAL 26 1.110 0.262 -5.265 177 HB VAL 26 HB VAL 26 2.374 1.776 -7.554 178 HG11 VAL 26 1HG1 VAL 26 1.246 0.202 -9.016 179 HG12 VAL 26 2HG1 VAL 26 2.338 -0.656 -7.928 180 HG13 VAL 26 3HG1 VAL 26 0.601 -0.664 -7.622 181 HG21 VAL 26 3HG2 VAL 26 0.026 2.303 -6.180 182 HG22 VAL 26 1HG2 VAL 26 0.457 2.889 -7.787 183 HG23 VAL 26 2HG2 VAL 26 -0.502 1.419 -7.612 184 H LEU 27 H LEU 27 4.357 1.544 -5.597 185 HA LEU 27 HA LEU 27 5.631 -0.791 -6.510 186 HB2 LEU 27 1HB LEU 27 6.479 1.726 -5.194 187 HB3 LEU 27 2HB LEU 27 7.607 0.373 -5.148 188 HG LEU 27 HG LEU 27 6.519 1.763 -7.592 189 HD11 LEU 27 1HD1 LEU 27 9.253 1.709 -7.728 190 HD12 LEU 27 2HD1 LEU 27 8.960 1.955 -6.006 191 HD13 LEU 27 3HD1 LEU 27 8.279 3.076 -7.184 192 HD21 LEU 27 3HD2 LEU 27 8.197 0.176 -8.734 193 HD22 LEU 27 1HD2 LEU 27 6.614 -0.456 -8.282 194 HD23 LEU 27 2HD2 LEU 27 8.023 -0.811 -7.282 195 H TRP 28 H TRP 28 5.207 0.488 -3.218 196 HA TRP 28 HA TRP 28 6.528 -1.597 -1.882 197 HB2 TRP 28 1HB TRP 28 6.178 0.276 -0.553 198 HB3 TRP 28 2HB TRP 28 4.505 0.460 -1.075 199 HD1 TRP 28 HD TRP 28 6.668 -1.606 1.340 200 HE1 TRP 28 1HE TRP 28 5.135 -2.601 3.153 201 HE3 TRP 28 3HE TRP 28 2.137 -0.209 -0.572 202 HZ2 TRP 28 2HZ TRP 28 2.371 -2.772 3.699 203 HZ3 TRP 28 3HZ TRP 28 0.097 -0.829 0.656 204 HH2 TRP 28 HH TRP 28 0.214 -2.084 2.747 205 H LEU 29 H LEU 29 3.164 -1.212 -2.875 206 HA LEU 29 HA LEU 29 2.271 -3.605 -1.581 207 HB2 LEU 29 1HB LEU 29 0.616 -1.988 -1.894 208 HB3 LEU 29 2HB LEU 29 1.075 -1.713 -3.573 209 HG LEU 29 HG LEU 29 0.245 -4.172 -3.898 210 HD11 LEU 29 1HD1 LEU 29 -0.348 -5.040 -1.898 211 HD12 LEU 29 2HD1 LEU 29 -1.875 -4.239 -2.267 212 HD13 LEU 29 3HD1 LEU 29 -0.710 -3.463 -1.194 213 HD21 LEU 29 3HD2 LEU 29 -2.059 -2.401 -3.443 214 HD22 LEU 29 1HD2 LEU 29 -1.550 -3.257 -4.899 215 HD23 LEU 29 2HD2 LEU 29 -0.780 -1.733 -4.458 216 H GLU 30 H GLU 30 3.712 -2.834 -4.626 217 HA GLU 30 HA GLU 30 2.861 -5.233 -5.964 218 HB2 GLU 30 1HB GLU 30 4.657 -2.943 -6.607 219 HB3 GLU 30 2HB GLU 30 4.877 -4.439 -7.505 220 HG2 GLU 30 1HG GLU 30 2.361 -4.315 -7.955 221 HG3 GLU 30 2HG GLU 30 2.485 -2.642 -7.415 222 H GLN 31 H GLN 31 4.760 -4.918 -3.410 223 HA GLN 31 HA GLN 31 6.764 -6.874 -4.311 224 HB2 GLN 31 1HB GLN 31 6.757 -4.839 -2.103 225 HB3 GLN 31 2HB GLN 31 7.845 -6.220 -2.045 226 HG2 GLN 31 1HG GLN 31 8.930 -5.548 -4.052 227 HG3 GLN 31 2HG GLN 31 7.721 -4.301 -4.355 228 HE21 GLN 31 2HE2 GLN 31 9.132 -1.939 -2.201 229 HE22 GLN 31 1HE2 GLN 31 7.734 -2.422 -3.092 230 H LEU 32 H LEU 32 4.116 -6.328 -2.141 231 HA LEU 32 HA LEU 32 4.572 -8.415 -0.313 232 HB2 LEU 32 1HB LEU 32 1.827 -7.584 -1.166 233 HB3 LEU 32 2HB LEU 32 2.391 -8.078 0.429 234 HG LEU 32 HG LEU 32 2.782 -5.429 -0.942 235 HD11 LEU 32 1HD1 LEU 32 0.744 -5.409 0.168 236 HD12 LEU 32 2HD1 LEU 32 1.852 -4.721 1.355 237 HD13 LEU 32 3HD1 LEU 32 1.343 -6.403 1.496 238 HD21 LEU 32 3HD2 LEU 32 3.880 -5.349 1.643 239 HD22 LEU 32 1HD2 LEU 32 4.721 -5.170 0.103 240 HD23 LEU 32 2HD2 LEU 32 4.577 -6.762 0.849 241 H GLY 33 H GLY 33 3.356 -8.391 -3.564 242 HA2 GLY 33 1HA GLY 33 3.681 -11.132 -3.960 243 HA3 GLY 33 2HA GLY 33 1.996 -10.871 -3.535 244 HA PRO 34 HA PRO 34 2.924 -10.060 -8.138 245 HB2 PRO 34 2HB PRO 34 3.585 -12.184 -8.713 246 HB3 PRO 34 1HB PRO 34 1.884 -12.348 -9.166 247 HG2 PRO 34 1HG PRO 34 1.332 -13.438 -7.192 248 HG3 PRO 34 2HG PRO 34 2.993 -14.018 -7.411 249 HD2 PRO 34 1HD PRO 34 2.172 -12.768 -5.154 250 HD3 PRO 34 2HD PRO 34 3.829 -12.624 -5.776 251 H TRP 35 H TRP 35 0.270 -11.164 -6.200 252 HA TRP 35 HA TRP 35 -1.791 -10.682 -8.116 253 HB2 TRP 35 1HB TRP 35 -3.277 -10.750 -6.046 254 HB3 TRP 35 2HB TRP 35 -2.326 -12.196 -6.376 255 HD1 TRP 35 HD TRP 35 -0.973 -13.104 -4.398 256 HE1 TRP 35 1HE TRP 35 -0.232 -12.196 -2.106 257 HE3 TRP 35 3HE TRP 35 -2.583 -8.275 -4.878 258 HZ2 TRP 35 2HZ TRP 35 -0.319 -9.757 -0.689 259 HZ3 TRP 35 3HZ TRP 35 -2.216 -6.719 -3.008 260 HH2 TRP 35 HH TRP 35 -1.107 -7.446 -0.958 261 H ALA 36 H ALA 36 0.157 -8.650 -6.250 262 HA ALA 36 HA ALA 36 -1.544 -6.560 -5.547 263 HB1 ALA 36 3HB ALA 36 0.613 -5.151 -5.922 264 HB2 ALA 36 1HB ALA 36 0.569 -6.370 -4.648 265 HB3 ALA 36 2HB ALA 36 1.370 -6.724 -6.179 266 H SER 37 H SER 37 -0.275 -7.489 -8.646 267 HA SER 37 HA SER 37 -0.687 -5.026 -9.990 268 HB2 SER 37 1HB SER 37 0.763 -6.507 -11.093 269 HB3 SER 37 2HB SER 37 -0.337 -7.872 -10.902 270 HG SER 37 HG SER 37 -0.247 -6.911 -13.052 271 H LEU 38 H LEU 38 -2.834 -7.362 -8.811 272 HA LEU 38 HA LEU 38 -4.920 -6.889 -10.756 273 HB2 LEU 38 1HB LEU 38 -5.026 -8.325 -8.108 274 HB3 LEU 38 2HB LEU 38 -6.277 -8.346 -9.350 275 HG LEU 38 HG LEU 38 -3.498 -9.444 -9.750 276 HD11 LEU 38 1HD1 LEU 38 -4.818 -11.659 -9.625 277 HD12 LEU 38 2HD1 LEU 38 -5.999 -10.718 -8.714 278 HD13 LEU 38 3HD1 LEU 38 -4.344 -10.863 -8.124 279 HD21 LEU 38 3HD2 LEU 38 -5.993 -9.324 -11.376 280 HD22 LEU 38 1HD2 LEU 38 -4.924 -10.717 -11.543 281 HD23 LEU 38 2HD2 LEU 38 -4.314 -9.094 -11.866 282 H TYR 39 H TYR 39 -3.763 -5.337 -7.993 283 HA TYR 39 HA TYR 39 -6.317 -3.904 -7.657 284 HB2 TYR 39 1HB TYR 39 -4.136 -4.299 -5.597 285 HB3 TYR 39 2HB TYR 39 -5.650 -3.437 -5.348 286 HD1 TYR 39 1HD TYR 39 -4.159 -6.765 -5.926 287 HD2 TYR 39 2HD TYR 39 -7.668 -4.606 -4.863 288 HE1 TYR 39 1HE TYR 39 -5.228 -8.864 -5.219 289 HE2 TYR 39 2HE TYR 39 -8.747 -6.699 -4.152 290 HH TYR 39 HH TYR 39 -8.253 -9.381 -4.935 291 H ARG 40 H ARG 40 -2.866 -3.667 -8.092 292 HA ARG 40 HA ARG 40 -2.213 -1.113 -7.518 293 HB2 ARG 40 1HB ARG 40 -0.536 -1.207 -9.180 294 HB3 ARG 40 2HB ARG 40 -0.790 -2.872 -8.676 295 HG2 ARG 40 1HG ARG 40 -2.219 -3.225 -10.651 296 HG3 ARG 40 2HG ARG 40 -1.872 -1.573 -11.166 297 HD2 ARG 40 1HD ARG 40 0.403 -3.401 -10.573 298 HD3 ARG 40 2HD ARG 40 -0.482 -3.613 -12.083 299 HE ARG 40 HE ARG 40 0.193 -0.901 -11.772 300 HH11 ARG 40 2HH1 ARG 40 1.668 -3.988 -12.417 301 HH12 ARG 40 1HH1 ARG 40 2.980 -3.317 -13.329 302 HH21 ARG 40 1HH2 ARG 40 3.119 -1.052 -13.643 303 HH22 ARG 40 2HH2 ARG 40 1.915 -0.006 -12.971 304 H ASP 41 H ASP 41 -3.992 -2.155 -10.403 305 HA ASP 41 HA ASP 41 -4.184 0.245 -11.750 306 HB2 ASP 41 1HB ASP 41 -6.046 -2.104 -11.532 307 HB3 ASP 41 2HB ASP 41 -6.490 -0.694 -12.490 308 H ARG 42 H ARG 42 -6.135 -0.934 -9.052 309 HA ARG 42 HA ARG 42 -7.954 1.261 -9.073 310 HB2 ARG 42 1HB ARG 42 -7.321 -0.550 -6.742 311 HB3 ARG 42 2HB ARG 42 -8.793 0.374 -7.008 312 HG2 ARG 42 1HG ARG 42 -9.019 -1.056 -9.151 313 HG3 ARG 42 2HG ARG 42 -7.866 -2.127 -8.352 314 HD2 ARG 42 1HD ARG 42 -9.346 -2.728 -6.717 315 HD3 ARG 42 2HD ARG 42 -10.217 -1.196 -6.793 316 HE ARG 42 HE ARG 42 -11.601 -2.099 -8.379 317 HH11 ARG 42 2HH1 ARG 42 -8.793 -4.125 -8.019 318 HH12 ARG 42 1HH1 ARG 42 -9.422 -5.398 -9.011 319 HH21 ARG 42 1HH2 ARG 42 -11.497 -5.194 -9.960 320 HH22 ARG 42 2HH2 ARG 42 -12.441 -3.769 -9.687 321 H PHE 43 H PHE 43 -4.804 0.732 -7.760 322 HA PHE 43 HA PHE 43 -4.932 2.807 -5.784 323 HB2 PHE 43 1HB PHE 43 -2.709 1.146 -6.944 324 HB3 PHE 43 2HB PHE 43 -2.365 2.496 -5.867 325 HD1 PHE 43 2HD PHE 43 -4.953 -0.193 -5.868 326 HD2 PHE 43 1HD PHE 43 -1.779 1.734 -3.788 327 HE1 PHE 43 2HE PHE 43 -5.347 -1.650 -3.926 328 HE2 PHE 43 1HE PHE 43 -2.167 0.279 -1.842 329 HZ PHE 43 HZ PHE 43 -3.953 -1.415 -1.908 330 H LEU 44 H LEU 44 -3.657 2.516 -9.069 331 HA LEU 44 HA LEU 44 -2.549 5.144 -9.137 332 HB2 LEU 44 1HB LEU 44 -3.219 3.144 -11.280 333 HB3 LEU 44 2HB LEU 44 -2.510 4.719 -11.632 334 HG LEU 44 HG LEU 44 -0.743 3.143 -11.663 335 HD11 LEU 44 1HD1 LEU 44 0.740 4.041 -10.085 336 HD12 LEU 44 2HD1 LEU 44 -0.546 4.340 -8.917 337 HD13 LEU 44 3HD1 LEU 44 -0.438 5.320 -10.379 338 HD21 LEU 44 3HD2 LEU 44 -1.826 1.309 -10.511 339 HD22 LEU 44 1HD2 LEU 44 -1.755 2.192 -8.985 340 HD23 LEU 44 2HD2 LEU 44 -0.266 1.652 -9.761 341 H SER 45 H SER 45 -5.427 3.709 -10.680 342 HA SER 45 HA SER 45 -6.455 5.988 -11.851 343 HB2 SER 45 1HB SER 45 -7.278 3.483 -11.859 344 HB3 SER 45 2HB SER 45 -8.340 4.047 -10.569 345 HG SER 45 HG SER 45 -8.159 5.508 -12.960 346 H GLU 46 H GLU 46 -6.957 4.791 -8.552 347 HA GLU 46 HA GLU 46 -8.581 7.088 -7.861 348 HB2 GLU 46 1HB GLU 46 -7.589 4.727 -6.264 349 HB3 GLU 46 2HB GLU 46 -8.538 6.032 -5.564 350 HG2 GLU 46 1HG GLU 46 -9.422 4.232 -7.809 351 HG3 GLU 46 2HG GLU 46 -9.912 4.093 -6.121 352 H ARG 47 H ARG 47 -5.515 7.005 -8.501 353 HA ARG 47 HA ARG 47 -3.572 7.932 -7.698 354 HB2 ARG 47 1HB ARG 47 -5.542 10.057 -6.835 355 HB3 ARG 47 2HB ARG 47 -3.825 10.289 -7.134 356 HG2 ARG 47 1HG ARG 47 -5.503 9.195 -9.329 357 HG3 ARG 47 2HG ARG 47 -5.636 10.911 -8.936 358 HD2 ARG 47 1HD ARG 47 -2.933 9.696 -9.273 359 HD3 ARG 47 2HD ARG 47 -3.892 10.069 -10.705 360 HE ARG 47 HE ARG 47 -3.980 12.362 -9.255 361 HH11 ARG 47 2HH1 ARG 47 -1.404 10.331 -10.419 362 HH12 ARG 47 1HH1 ARG 47 -0.273 11.634 -10.578 363 HH21 ARG 47 1HH2 ARG 47 -0.897 13.769 -10.031 364 HH22 ARG 47 2HH2 ARG 47 -2.501 14.086 -9.460 365 H VAL 48 H VAL 48 -4.778 6.111 -5.832 366 HA VAL 48 HA VAL 48 -4.916 7.100 -3.216 367 HB VAL 48 HB VAL 48 -3.992 4.347 -4.047 368 HG11 VAL 48 1HG1 VAL 48 -3.815 3.956 -1.869 369 HG12 VAL 48 2HG1 VAL 48 -4.356 5.595 -1.499 370 HG13 VAL 48 3HG1 VAL 48 -5.536 4.297 -1.693 371 HG21 VAL 48 3HG2 VAL 48 -6.152 3.692 -4.373 372 HG22 VAL 48 1HG2 VAL 48 -6.802 4.899 -3.264 373 HG23 VAL 48 2HG2 VAL 48 -6.291 5.374 -4.884 374 H ASN 49 H ASN 49 -3.326 8.351 -2.422 375 HA ASN 49 HA ASN 49 -0.538 7.656 -2.879 376 HB2 ASN 49 1HB ASN 49 0.000 9.794 -1.969 377 HB3 ASN 49 2HB ASN 49 -1.410 10.030 -2.998 378 HD21 ASN 49 2HD2 ASN 49 -3.510 11.086 -0.444 379 HD22 ASN 49 1HD2 ASN 49 -3.340 10.622 -2.099 380 H GLY 50 H GLY 50 0.915 8.048 -0.838 381 HA2 GLY 50 1HA GLY 50 0.529 5.925 0.915 382 HA3 GLY 50 2HA GLY 50 1.610 7.279 1.209 383 H ARG 51 H ARG 51 0.161 9.388 1.694 384 HA ARG 51 HA ARG 51 -0.742 9.194 4.262 385 HB2 ARG 51 1HB ARG 51 -0.408 11.257 2.634 386 HB3 ARG 51 2HB ARG 51 -2.153 11.115 2.467 387 HG2 ARG 51 1HG ARG 51 -0.791 11.315 5.136 388 HG3 ARG 51 2HG ARG 51 -1.318 12.726 4.217 389 HD2 ARG 51 1HD ARG 51 -3.605 11.539 4.136 390 HD3 ARG 51 2HD ARG 51 -2.970 10.551 5.452 391 HE ARG 51 HE ARG 51 -3.180 12.347 6.865 392 HH11 ARG 51 2HH1 ARG 51 -3.526 13.415 3.570 393 HH12 ARG 51 1HH1 ARG 51 -4.046 15.010 4.004 394 HH21 ARG 51 1HH2 ARG 51 -4.238 15.594 6.211 395 HH22 ARG 51 2HH2 ARG 51 -3.864 14.443 7.449 396 H LEU 52 H LEU 52 -2.575 8.651 1.308 397 HA LEU 52 HA LEU 52 -5.076 8.322 2.705 398 HB2 LEU 52 1HB LEU 52 -5.047 9.220 0.449 399 HB3 LEU 52 2HB LEU 52 -4.292 7.743 -0.148 400 HG LEU 52 HG LEU 52 -6.400 6.540 0.615 401 HD11 LEU 52 1HD1 LEU 52 -7.499 9.345 0.631 402 HD12 LEU 52 2HD1 LEU 52 -7.208 8.369 2.070 403 HD13 LEU 52 3HD1 LEU 52 -8.400 7.850 0.880 404 HD21 LEU 52 3HD2 LEU 52 -6.689 6.559 -1.585 405 HD22 LEU 52 1HD2 LEU 52 -5.842 8.099 -1.729 406 HD23 LEU 52 2HD2 LEU 52 -7.578 8.073 -1.416 407 H LEU 53 H LEU 53 -2.537 6.271 1.438 408 HA LEU 53 HA LEU 53 -3.874 3.811 1.497 409 HB2 LEU 53 1HB LEU 53 -1.726 4.113 0.405 410 HB3 LEU 53 2HB LEU 53 -0.960 4.431 1.960 411 HG LEU 53 HG LEU 53 -1.537 2.086 2.627 412 HD11 LEU 53 1HD1 LEU 53 -2.967 0.941 1.380 413 HD12 LEU 53 2HD1 LEU 53 -1.762 0.903 0.094 414 HD13 LEU 53 3HD1 LEU 53 -2.960 2.196 0.141 415 HD21 LEU 53 3HD2 LEU 53 0.674 2.894 1.631 416 HD22 LEU 53 1HD2 LEU 53 0.140 2.124 0.137 417 HD23 LEU 53 2HD2 LEU 53 0.353 1.160 1.599 418 H LEU 54 H LEU 54 -2.219 5.623 4.020 419 HA LEU 54 HA LEU 54 -2.329 3.550 5.973 420 HB2 LEU 54 1HB LEU 54 -1.961 6.529 6.235 421 HB3 LEU 54 2HB LEU 54 -1.817 5.391 7.573 422 HG LEU 54 HG LEU 54 -0.064 5.385 5.118 423 HD11 LEU 54 1HD1 LEU 54 1.665 6.293 6.592 424 HD12 LEU 54 2HD1 LEU 54 0.483 6.431 7.892 425 HD13 LEU 54 3HD1 LEU 54 0.301 7.399 6.430 426 HD21 LEU 54 3HD2 LEU 54 -0.504 3.495 7.237 427 HD22 LEU 54 1HD2 LEU 54 1.154 4.097 7.284 428 HD23 LEU 54 2HD2 LEU 54 0.525 3.359 5.810 429 H THR 55 H THR 55 -4.355 6.345 5.214 430 HA THR 55 HA THR 55 -6.087 6.201 7.408 431 HB THR 55 HB THR 55 -7.611 7.566 6.173 432 HG1 THR 55 1HG THR 55 -6.153 6.970 3.802 433 HG21 THR 55 3HG2 THR 55 -4.785 8.106 6.195 434 HG22 THR 55 1HG2 THR 55 -6.134 9.218 6.423 435 HG23 THR 55 2HG2 THR 55 -5.541 8.872 4.799 436 H LEU 56 H LEU 56 -6.177 4.569 4.275 437 HA LEU 56 HA LEU 56 -8.711 3.440 4.415 438 HB2 LEU 56 1HB LEU 56 -6.184 2.340 3.199 439 HB3 LEU 56 2HB LEU 56 -7.790 1.669 2.926 440 HG LEU 56 HG LEU 56 -7.114 4.514 2.229 441 HD11 LEU 56 1HD1 LEU 56 -7.146 3.151 -0.145 442 HD12 LEU 56 2HD1 LEU 56 -6.254 2.057 0.913 443 HD13 LEU 56 3HD1 LEU 56 -5.702 3.718 0.695 444 HD21 LEU 56 3HD2 LEU 56 -9.085 2.864 0.760 445 HD22 LEU 56 1HD2 LEU 56 -9.127 4.575 1.187 446 HD23 LEU 56 2HD2 LEU 56 -9.511 3.353 2.401 447 H THR 57 H THR 57 -9.606 1.936 5.661 448 HA THR 57 HA THR 57 -7.837 0.295 7.349 449 HB THR 57 HB THR 57 -9.641 0.127 8.953 450 HG1 THR 57 1HG THR 57 -11.527 1.633 8.394 451 HG21 THR 57 3HG2 THR 57 -8.420 2.004 9.498 452 HG22 THR 57 1HG2 THR 57 -10.029 2.699 9.307 453 HG23 THR 57 2HG2 THR 57 -8.845 2.845 8.008 454 H GLU 58 H GLU 58 -8.963 -1.809 8.067 455 HA GLU 58 HA GLU 58 -9.116 -3.601 6.054 456 HB2 GLU 58 1HB GLU 58 -9.123 -4.237 8.417 457 HB3 GLU 58 2HB GLU 58 -10.776 -3.662 8.580 458 HG2 GLU 58 1HG GLU 58 -11.425 -5.361 6.845 459 HG3 GLU 58 2HG GLU 58 -9.796 -6.018 6.996 460 H GLU 59 H GLU 59 -11.846 -1.733 7.331 461 HA GLU 59 HA GLU 59 -13.837 -2.891 5.717 462 HB2 GLU 59 1HB GLU 59 -13.582 -0.400 7.321 463 HB3 GLU 59 2HB GLU 59 -14.869 -0.459 6.125 464 HG2 GLU 59 1HG GLU 59 -16.011 -2.106 7.224 465 HG3 GLU 59 2HG GLU 59 -14.563 -2.744 8.001 466 H GLU 60 H GLU 60 -12.490 0.393 5.358 467 HA GLU 60 HA GLU 60 -13.427 1.135 2.964 468 HB2 GLU 60 1HB GLU 60 -10.599 1.438 3.974 469 HB3 GLU 60 2HB GLU 60 -11.196 2.256 2.537 470 HG2 GLU 60 1HG GLU 60 -12.674 2.549 5.106 471 HG3 GLU 60 2HG GLU 60 -11.190 3.463 4.845 472 H PHE 61 H PHE 61 -10.650 -1.033 3.401 473 HA PHE 61 HA PHE 61 -10.052 -1.399 0.687 474 HB2 PHE 61 1HB PHE 61 -9.547 -3.034 3.156 475 HB3 PHE 61 2HB PHE 61 -9.098 -3.651 1.569 476 HD1 PHE 61 1HD PHE 61 -7.987 -1.498 0.133 477 HD2 PHE 61 2HD PHE 61 -7.711 -2.296 4.304 478 HE1 PHE 61 1HE PHE 61 -5.882 -0.228 0.233 479 HE2 PHE 61 2HE PHE 61 -5.606 -1.027 4.411 480 HZ PHE 61 HZ PHE 61 -4.689 0.010 2.374 481 H SER 62 H SER 62 -12.231 -3.158 2.848 482 HA SER 62 HA SER 62 -12.967 -5.101 0.880 483 HB2 SER 62 1HB SER 62 -13.112 -5.190 3.513 484 HB3 SER 62 2HB SER 62 -14.708 -4.494 3.237 485 HG SER 62 HG SER 62 -14.318 -6.947 3.236 486 H ARG 63 H ARG 63 -13.813 -1.875 1.421 487 HA ARG 63 HA ARG 63 -16.435 -2.142 0.155 488 HB2 ARG 63 1HB ARG 63 -15.098 0.341 1.243 489 HB3 ARG 63 2HB ARG 63 -16.778 0.184 0.747 490 HG2 ARG 63 1HG ARG 63 -15.544 -1.371 3.007 491 HG3 ARG 63 2HG ARG 63 -16.415 0.151 3.207 492 HD2 ARG 63 1HD ARG 63 -17.593 -2.294 1.901 493 HD3 ARG 63 2HD ARG 63 -17.773 -1.920 3.614 494 HE ARG 63 HE ARG 63 -19.228 -0.772 1.464 495 HH11 ARG 63 2HH1 ARG 63 -17.839 -0.037 4.571 496 HH12 ARG 63 1HH1 ARG 63 -18.959 1.238 4.916 497 HH21 ARG 63 1HH2 ARG 63 -20.592 1.773 3.401 498 HH22 ARG 63 2HH2 ARG 63 -20.709 0.905 1.907 499 H ALA 64 H ALA 64 -16.978 -1.083 -1.766 500 HA ALA 64 HA ALA 64 -15.075 -1.101 -3.800 501 HB1 ALA 64 3HB ALA 64 -16.953 0.537 -4.839 502 HB2 ALA 64 1HB ALA 64 -17.109 -1.218 -4.756 503 HB3 ALA 64 2HB ALA 64 -17.865 -0.206 -3.525 504 HA PRO 65 HA PRO 65 -15.316 0.207 -5.931 505 HB2 PRO 65 2HB PRO 65 -14.464 1.906 -7.220 506 HB3 PRO 65 1HB PRO 65 -13.056 0.840 -7.295 507 HG2 PRO 65 1HG PRO 65 -11.923 2.008 -5.640 508 HG3 PRO 65 2HG PRO 65 -12.827 3.336 -6.391 509 HD2 PRO 65 1HD PRO 65 -12.989 2.777 -3.747 510 HD3 PRO 65 2HD PRO 65 -14.354 3.439 -4.668 511 H TYR 66 H TYR 66 -12.359 0.219 -4.035 512 HA TYR 66 HA TYR 66 -10.964 -1.900 -5.071 513 HB2 TYR 66 1HB TYR 66 -11.239 -1.716 -2.099 514 HB3 TYR 66 2HB TYR 66 -9.797 -1.978 -3.073 515 HD1 TYR 66 1HD TYR 66 -9.205 0.093 -4.664 516 HD2 TYR 66 2HD TYR 66 -11.462 0.331 -1.065 517 HE1 TYR 66 1HE TYR 66 -8.638 2.478 -4.473 518 HE2 TYR 66 2HE TYR 66 -10.901 2.717 -0.865 519 HH TYR 66 HH TYR 66 -10.201 4.606 -2.724 520 H THR 67 H THR 67 -13.683 -2.023 -2.802 521 HA THR 67 HA THR 67 -14.765 -3.856 -1.884 522 HB THR 67 HB THR 67 -15.927 -3.304 -4.025 523 HG1 THR 67 1HG THR 67 -16.143 -5.466 -2.524 524 HG21 THR 67 3HG2 THR 67 -14.495 -5.702 -5.156 525 HG22 THR 67 1HG2 THR 67 -13.988 -4.043 -5.471 526 HG23 THR 67 2HG2 THR 67 -15.581 -4.592 -5.992 527 H ILE 68 H ILE 68 -11.965 -4.327 -1.900 528 HA ILE 68 HA ILE 68 -10.999 -6.611 -3.028 529 HB ILE 68 HB ILE 68 -10.580 -5.763 -0.160 530 HG12 ILE 68 1HG1 ILE 68 -8.846 -5.180 -2.563 531 HG13 ILE 68 2HG1 ILE 68 -10.076 -4.066 -1.976 532 HG21 ILE 68 1HG2 ILE 68 -8.818 -7.218 -0.001 533 HG22 ILE 68 2HG2 ILE 68 -9.903 -8.147 -1.034 534 HG23 ILE 68 3HG2 ILE 68 -8.554 -7.261 -1.744 535 HD11 ILE 68 3HD1 ILE 68 -8.701 -3.275 -0.438 536 HD12 ILE 68 1HD1 ILE 68 -8.365 -4.894 0.175 537 HD13 ILE 68 2HD1 ILE 68 -7.419 -4.244 -1.165 538 H GLU 69 H GLU 69 -12.509 -8.228 -3.334 539 HA GLU 69 HA GLU 69 -13.973 -9.334 -1.109 540 HB2 GLU 69 1HB GLU 69 -13.699 -10.374 -3.934 541 HB3 GLU 69 2HB GLU 69 -14.880 -10.902 -2.743 542 HG2 GLU 69 1HG GLU 69 -15.614 -8.427 -2.719 543 HG3 GLU 69 2HG GLU 69 -14.741 -8.325 -4.247 544 H ASN 70 H ASN 70 -11.242 -9.428 -0.615 545 HA ASN 70 HA ASN 70 -10.894 -12.269 -0.205 546 HB2 ASN 70 1HB ASN 70 -9.885 -11.897 -2.440 547 HB3 ASN 70 2HB ASN 70 -8.800 -10.705 -1.731 548 HD21 ASN 70 2HD2 ASN 70 -6.472 -13.239 -1.372 549 HD22 ASN 70 1HD2 ASN 70 -6.904 -11.723 -2.080 550 H SER 71 H SER 71 -10.669 -12.189 1.944 551 HA SER 71 HA SER 71 -9.679 -10.111 3.475 552 HB2 SER 71 1HB SER 71 -9.501 -13.056 4.153 553 HB3 SER 71 2HB SER 71 -9.483 -11.713 5.296 554 HG SER 71 HG SER 71 -11.557 -12.671 5.115 555 H SER 72 H SER 72 -7.926 -13.099 2.615 556 HA SER 72 HA SER 72 -5.492 -12.702 3.658 557 HB2 SER 72 1HB SER 72 -6.230 -14.552 2.060 558 HB3 SER 72 2HB SER 72 -5.751 -13.472 0.750 559 HG SER 72 HG SER 72 -4.171 -14.773 2.662 560 H HIS 73 H HIS 73 -6.700 -11.088 0.749 561 HA HIS 73 HA HIS 73 -4.350 -9.725 0.060 562 HB2 HIS 73 1HB HIS 73 -6.307 -9.923 -1.431 563 HB3 HIS 73 2HB HIS 73 -7.213 -8.846 -0.372 564 HD1 HIS 73 1HD HIS 73 -6.932 -6.376 -0.734 565 HD2 HIS 73 2HD HIS 73 -4.129 -8.628 -2.815 566 HE1 HIS 73 1HE HIS 73 -5.742 -4.747 -2.235 567 HE2 HIS 73 2HE HIS 73 -4.108 -6.147 -3.546 568 H ARG 74 H ARG 74 -7.047 -8.779 2.157 569 HA ARG 74 HA ARG 74 -6.065 -6.185 2.732 570 HB2 ARG 74 1HB ARG 74 -8.092 -7.990 4.014 571 HB3 ARG 74 2HB ARG 74 -7.625 -6.483 4.791 572 HG2 ARG 74 1HG ARG 74 -8.246 -5.306 2.665 573 HG3 ARG 74 2HG ARG 74 -8.919 -6.837 2.102 574 HD2 ARG 74 1HD ARG 74 -9.742 -5.702 4.745 575 HD3 ARG 74 2HD ARG 74 -10.469 -5.102 3.254 576 HE ARG 74 HE ARG 74 -11.587 -7.106 3.015 577 HH11 ARG 74 2HH1 ARG 74 -9.255 -7.333 5.590 578 HH12 ARG 74 1HH1 ARG 74 -9.865 -8.841 6.185 579 HH21 ARG 74 1HH2 ARG 74 -11.652 -9.841 5.159 580 HH22 ARG 74 2HH2 ARG 74 -12.399 -9.092 3.789 581 H ARG 75 H ARG 75 -5.700 -9.319 4.316 582 HA ARG 75 HA ARG 75 -4.433 -8.429 6.656 583 HB2 ARG 75 1HB ARG 75 -5.338 -10.700 6.386 584 HB3 ARG 75 2HB ARG 75 -4.088 -11.057 5.201 585 HG2 ARG 75 1HG ARG 75 -3.276 -10.149 7.917 586 HG3 ARG 75 2HG ARG 75 -3.838 -11.807 7.695 587 HD2 ARG 75 1HD ARG 75 -2.158 -11.860 5.730 588 HD3 ARG 75 2HD ARG 75 -1.451 -10.444 6.507 589 HE ARG 75 HE ARG 75 -0.511 -11.843 8.035 590 HH11 ARG 75 2HH1 ARG 75 -3.270 -13.439 6.635 591 HH12 ARG 75 1HH1 ARG 75 -3.003 -14.927 7.481 592 HH21 ARG 75 1HH2 ARG 75 -1.228 -15.129 8.916 593 HH22 ARG 75 2HH2 ARG 75 -0.149 -13.796 9.155 594 H VAL 76 H VAL 76 -3.186 -9.168 3.453 595 HA VAL 76 HA VAL 76 -0.434 -9.082 4.148 596 HB VAL 76 HB VAL 76 -1.764 -8.642 1.471 597 HG11 VAL 76 1HG1 VAL 76 0.809 -9.626 1.083 598 HG12 VAL 76 2HG1 VAL 76 0.241 -7.986 0.760 599 HG13 VAL 76 3HG1 VAL 76 0.987 -8.373 2.311 600 HG21 VAL 76 3HG2 VAL 76 -1.974 -10.887 2.781 601 HG22 VAL 76 1HG2 VAL 76 -1.562 -10.906 1.066 602 HG23 VAL 76 2HG2 VAL 76 -0.299 -11.119 2.279 603 H ILE 77 H ILE 77 -2.676 -6.682 2.809 604 HA ILE 77 HA ILE 77 -0.744 -4.618 2.556 605 HB ILE 77 HB ILE 77 -3.752 -4.591 2.630 606 HG12 ILE 77 1HG1 ILE 77 -1.789 -3.919 0.428 607 HG13 ILE 77 2HG1 ILE 77 -2.565 -5.487 0.624 608 HG21 ILE 77 1HG2 ILE 77 -3.126 -2.139 1.676 609 HG22 ILE 77 2HG2 ILE 77 -3.572 -2.467 3.350 610 HG23 ILE 77 3HG2 ILE 77 -1.872 -2.348 2.898 611 HD11 ILE 77 3HD1 ILE 77 -3.491 -3.392 -0.886 612 HD12 ILE 77 1HD1 ILE 77 -4.429 -4.791 -0.361 613 HD13 ILE 77 2HD1 ILE 77 -4.469 -3.298 0.579 614 H LEU 78 H LEU 78 -3.483 -4.859 4.835 615 HA LEU 78 HA LEU 78 -2.845 -2.808 6.523 616 HB2 LEU 78 1HB LEU 78 -4.149 -5.457 6.985 617 HB3 LEU 78 2HB LEU 78 -3.851 -4.376 8.345 618 HG LEU 78 HG LEU 78 -5.415 -3.532 5.917 619 HD11 LEU 78 1HD1 LEU 78 -6.216 -5.558 7.549 620 HD12 LEU 78 2HD1 LEU 78 -7.298 -4.480 6.668 621 HD13 LEU 78 3HD1 LEU 78 -6.909 -4.151 8.356 622 HD21 LEU 78 3HD2 LEU 78 -5.414 -1.557 6.924 623 HD22 LEU 78 1HD2 LEU 78 -4.450 -2.213 8.248 624 HD23 LEU 78 2HD2 LEU 78 -6.211 -2.276 8.324 625 H THR 79 H THR 79 -1.770 -6.187 6.883 626 HA THR 79 HA THR 79 -0.186 -5.851 9.143 627 HB THR 79 HB THR 79 0.209 -7.767 6.838 628 HG1 THR 79 1HG THR 79 -1.784 -7.957 8.015 629 HG21 THR 79 3HG2 THR 79 1.175 -8.582 9.467 630 HG22 THR 79 1HG2 THR 79 2.042 -7.192 8.814 631 HG23 THR 79 2HG2 THR 79 1.959 -8.693 7.891 632 H GLU 80 H GLU 80 1.105 -6.196 5.834 633 HA GLU 80 HA GLU 80 3.683 -5.426 6.286 634 HB2 GLU 80 1HB GLU 80 1.924 -4.918 3.890 635 HB3 GLU 80 2HB GLU 80 3.640 -4.535 3.900 636 HG2 GLU 80 1HG GLU 80 2.797 -7.278 4.670 637 HG3 GLU 80 2HG GLU 80 2.744 -6.822 2.969 638 H LEU 81 H LEU 81 0.884 -3.330 5.831 639 HA LEU 81 HA LEU 81 2.249 -0.882 5.663 640 HB2 LEU 81 1HB LEU 81 -0.286 -1.557 5.343 641 HB3 LEU 81 2HB LEU 81 -0.395 -1.026 7.020 642 HG LEU 81 HG LEU 81 0.582 1.173 6.271 643 HD11 LEU 81 1HD1 LEU 81 0.166 1.616 3.790 644 HD12 LEU 81 2HD1 LEU 81 0.188 -0.137 3.601 645 HD13 LEU 81 3HD1 LEU 81 1.609 0.699 4.225 646 HD21 LEU 81 3HD2 LEU 81 -2.081 0.103 5.872 647 HD22 LEU 81 1HD2 LEU 81 -1.737 1.446 4.781 648 HD23 LEU 81 2HD2 LEU 81 -1.575 1.663 6.524 649 H GLU 82 H GLU 82 0.939 -2.636 8.455 650 HA GLU 82 HA GLU 82 1.483 -0.726 10.416 651 HB2 GLU 82 1HB GLU 82 0.117 -2.497 11.096 652 HB3 GLU 82 2HB GLU 82 1.218 -3.714 10.466 653 HG2 GLU 82 1HG GLU 82 2.578 -3.638 12.299 654 HG3 GLU 82 2HG GLU 82 2.154 -1.970 12.682 655 H ARG 83 H ARG 83 3.616 -2.645 8.577 656 HA ARG 83 HA ARG 83 5.783 -2.523 10.508 657 HB2 ARG 83 1HB ARG 83 5.838 -3.494 7.645 658 HB3 ARG 83 2HB ARG 83 7.069 -3.767 8.871 659 HG2 ARG 83 1HG ARG 83 5.028 -4.861 10.152 660 HG3 ARG 83 2HG ARG 83 4.433 -5.067 8.503 661 HD2 ARG 83 1HD ARG 83 5.661 -7.034 9.161 662 HD3 ARG 83 2HD ARG 83 6.560 -6.174 7.913 663 HE ARG 83 HE ARG 83 7.314 -5.540 10.632 664 HH11 ARG 83 2HH1 ARG 83 7.894 -7.536 7.839 665 HH12 ARG 83 1HH1 ARG 83 9.516 -7.934 8.299 666 HH21 ARG 83 1HH2 ARG 83 10.399 -7.093 10.238 667 HH22 ARG 83 2HH2 ARG 83 9.448 -6.057 11.248 668 H VAL 84 H VAL 84 5.286 -1.403 7.155 669 HA VAL 84 HA VAL 84 7.562 0.229 7.039 670 HB VAL 84 HB VAL 84 6.426 1.373 5.147 671 HG11 VAL 84 1HG1 VAL 84 7.550 -0.403 4.295 672 HG12 VAL 84 2HG1 VAL 84 6.756 -1.560 5.366 673 HG13 VAL 84 3HG1 VAL 84 5.913 -0.955 3.939 674 HG21 VAL 84 3HG2 VAL 84 4.110 0.807 6.400 675 HG22 VAL 84 1HG2 VAL 84 4.226 1.172 4.678 676 HG23 VAL 84 2HG2 VAL 84 4.152 -0.504 5.222 677 H ARG 85 H ARG 85 4.347 0.811 8.285 678 HA ARG 85 HA ARG 85 4.678 3.654 8.519 679 HB2 ARG 85 1HB ARG 85 2.520 3.699 9.382 680 HB3 ARG 85 2HB ARG 85 2.480 2.288 8.334 681 HG2 ARG 85 1HG ARG 85 2.876 0.857 10.310 682 HG3 ARG 85 2HG ARG 85 2.789 2.297 11.327 683 HD2 ARG 85 1HD ARG 85 0.500 2.697 10.307 684 HD3 ARG 85 2HD ARG 85 0.616 1.063 9.654 685 HE ARG 85 HE ARG 85 1.101 0.659 12.260 686 HH11 ARG 85 2HH1 ARG 85 -1.390 2.443 10.607 687 HH12 ARG 85 1HH1 ARG 85 -2.580 2.177 11.838 688 HH21 ARG 85 1HH2 ARG 85 -2.047 0.959 13.704 689 HH22 ARG 85 2HH2 ARG 85 -0.456 0.302 13.888 690 H SER 86 H SER 86 4.852 0.888 10.725 691 HA SER 86 HA SER 86 5.668 2.631 12.916 692 HB2 SER 86 1HB SER 86 4.028 0.736 13.243 693 HB3 SER 86 2HB SER 86 5.367 -0.377 12.962 694 HG SER 86 HG SER 86 5.717 1.635 14.864 695 H GLY 87 H GLY 87 7.739 3.178 13.049 696 HA2 GLY 87 1HA GLY 87 9.778 1.397 11.936 697 HA3 GLY 87 2HA GLY 87 10.011 3.075 12.404 698 HA PRO 88 HA PRO 88 11.921 0.406 15.669 699 HB2 PRO 88 2HB PRO 88 13.990 0.573 14.683 700 HB3 PRO 88 1HB PRO 88 14.197 1.874 15.862 701 HG2 PRO 88 1HG PRO 88 13.717 3.530 14.307 702 HG3 PRO 88 2HG PRO 88 14.500 2.336 13.256 703 HD2 PRO 88 1HD PRO 88 12.017 3.301 12.769 704 HD3 PRO 88 2HD PRO 88 12.500 1.648 12.338 705 H SER 89 H SER 89 11.613 0.783 17.783 706 HA SER 89 HA SER 89 10.526 3.276 18.648 707 HB2 SER 89 1HB SER 89 11.294 0.745 20.103 708 HB3 SER 89 2HB SER 89 10.645 2.155 20.940 709 HG SER 89 HG SER 89 8.957 1.874 19.092 710 H SER 90 H SER 90 13.448 1.495 19.663 711 HA SER 90 HA SER 90 15.454 2.198 20.471 712 HB2 SER 90 1HB SER 90 15.160 3.660 18.300 713 HB3 SER 90 2HB SER 90 14.978 4.976 19.460 714 HG SER 90 HG SER 90 17.194 3.261 19.079 715 H GLY 91 H GLY 91 13.670 2.085 22.394 716 HA2 GLY 91 1HA GLY 91 14.255 4.473 24.012 717 HA3 GLY 91 2HA GLY 91 12.605 3.875 23.922 Start of MODEL 2 1 H1 GLY 1 H GLY 1 15.910 12.383 -6.885 2 HA2 GLY 1 1HA GLY 1 16.919 14.519 -5.485 3 HA3 GLY 1 2HA GLY 1 15.673 13.854 -4.440 4 H SER 2 H SER 2 16.177 12.184 -3.161 5 HA SER 2 HA SER 2 18.229 10.293 -3.832 6 HB2 SER 2 1HB SER 2 19.690 12.056 -3.061 7 HB3 SER 2 2HB SER 2 18.716 12.289 -1.610 8 HG SER 2 HG SER 2 19.939 9.813 -2.205 9 H SER 3 H SER 3 17.677 8.397 -2.985 10 HA SER 3 HA SER 3 16.308 6.890 -1.910 11 HB2 SER 3 1HB SER 3 16.852 6.686 0.415 12 HB3 SER 3 2HB SER 3 18.292 7.299 -0.398 13 HG SER 3 HG SER 3 17.680 9.400 0.304 14 H GLY 4 H GLY 4 14.730 8.932 -2.857 15 HA2 GLY 4 1HA GLY 4 12.555 8.849 -0.943 16 HA3 GLY 4 2HA GLY 4 13.162 10.460 -1.297 17 H SER 5 H SER 5 13.590 10.542 -3.907 18 HA SER 5 HA SER 5 11.074 10.861 -5.037 19 HB2 SER 5 1HB SER 5 13.258 11.870 -5.836 20 HB3 SER 5 2HB SER 5 13.593 10.326 -6.620 21 HG SER 5 HG SER 5 11.490 12.143 -7.151 22 H SER 6 H SER 6 13.415 8.234 -5.593 23 HA SER 6 HA SER 6 11.198 6.607 -6.653 24 HB2 SER 6 1HB SER 6 13.100 7.153 -8.235 25 HB3 SER 6 2HB SER 6 14.140 6.176 -7.199 26 HG SER 6 HG SER 6 13.136 4.391 -7.837 27 H GLY 7 H GLY 7 11.278 4.301 -6.191 28 HA2 GLY 7 1HA GLY 7 12.210 3.840 -3.455 29 HA3 GLY 7 2HA GLY 7 11.034 2.867 -4.326 30 H GLU 8 H GLU 8 13.726 2.389 -2.885 31 HA GLU 8 HA GLU 8 14.914 0.763 -5.037 32 HB2 GLU 8 1HB GLU 8 16.295 2.729 -4.163 33 HB3 GLU 8 2HB GLU 8 16.440 1.821 -2.665 34 HG2 GLU 8 1HG GLU 8 17.460 -0.036 -3.932 35 HG3 GLU 8 2HG GLU 8 17.393 0.958 -5.385 36 H HIS 9 H HIS 9 12.804 0.084 -3.095 37 HA HIS 9 HA HIS 9 12.199 -1.605 -1.692 38 HB2 HIS 9 1HB HIS 9 14.613 -2.905 -2.968 39 HB3 HIS 9 2HB HIS 9 13.415 -3.757 -1.999 40 HD1 HIS 9 1HD HIS 9 12.252 -5.176 -3.682 41 HD2 HIS 9 2HD HIS 9 12.650 -1.240 -4.952 42 HE1 HIS 9 1HE HIS 9 10.949 -5.028 -5.828 43 HE2 HIS 9 2HE HIS 9 11.275 -2.660 -6.622 44 H GLY 10 H GLY 10 13.329 0.278 -0.245 45 HA2 GLY 10 1HA GLY 10 14.448 -1.132 1.961 46 HA3 GLY 10 2HA GLY 10 15.680 -0.188 1.135 47 H LEU 11 H LEU 11 15.027 2.155 0.722 48 HA LEU 11 HA LEU 11 14.685 3.475 3.126 49 HB2 LEU 11 1HB LEU 11 14.796 5.415 1.935 50 HB3 LEU 11 2HB LEU 11 15.447 4.286 0.750 51 HG LEU 11 HG LEU 11 13.978 5.737 -0.410 52 HD11 LEU 11 1HD1 LEU 11 11.966 3.667 -0.241 53 HD12 LEU 11 2HD1 LEU 11 13.594 2.993 -0.320 54 HD13 LEU 11 3HD1 LEU 11 13.035 4.098 -1.576 55 HD21 LEU 11 3HD2 LEU 11 12.707 6.107 1.952 56 HD22 LEU 11 1HD2 LEU 11 11.542 5.090 1.103 57 HD23 LEU 11 2HD2 LEU 11 12.067 6.615 0.388 58 H LEU 12 H LEU 12 12.321 2.008 1.138 59 HA LEU 12 HA LEU 12 10.023 3.398 1.417 60 HB2 LEU 12 1HB LEU 12 10.648 0.500 1.496 61 HB3 LEU 12 2HB LEU 12 9.021 0.992 1.965 62 HG LEU 12 HG LEU 12 10.342 1.544 -0.692 63 HD11 LEU 12 1HD1 LEU 12 9.802 -0.749 -0.619 64 HD12 LEU 12 2HD1 LEU 12 8.482 0.029 -1.493 65 HD13 LEU 12 3HD1 LEU 12 8.267 -0.442 0.193 66 HD21 LEU 12 3HD2 LEU 12 7.504 1.898 -0.647 67 HD22 LEU 12 1HD2 LEU 12 8.764 3.054 -1.079 68 HD23 LEU 12 2HD2 LEU 12 8.244 2.903 0.600 69 H VAL 13 H VAL 13 10.895 0.907 3.817 70 HA VAL 13 HA VAL 13 9.063 1.553 5.757 71 HB VAL 13 HB VAL 13 10.545 0.515 7.395 72 HG11 VAL 13 1HG1 VAL 13 9.837 -0.655 4.842 73 HG12 VAL 13 2HG1 VAL 13 11.229 -1.458 5.572 74 HG13 VAL 13 3HG1 VAL 13 9.713 -1.331 6.466 75 HG21 VAL 13 3HG2 VAL 13 12.806 -0.273 6.613 76 HG22 VAL 13 1HG2 VAL 13 12.620 0.808 5.232 77 HG23 VAL 13 2HG2 VAL 13 12.660 1.466 6.868 78 H HIS 14 H HIS 14 12.369 2.835 5.444 79 HA HIS 14 HA HIS 14 12.475 4.461 7.654 80 HB2 HIS 14 1HB HIS 14 14.395 4.153 6.203 81 HB3 HIS 14 2HB HIS 14 13.579 4.997 4.890 82 HD1 HIS 14 1HD HIS 14 13.330 7.595 5.133 83 HD2 HIS 14 2HD HIS 14 15.636 5.776 8.072 84 HE1 HIS 14 1HE HIS 14 14.568 9.466 6.271 85 HE2 HIS 14 2HE HIS 14 16.021 8.332 7.988 86 H LYS 15 H LYS 15 11.871 5.873 4.449 87 HA LYS 15 HA LYS 15 10.730 8.231 5.396 88 HB2 LYS 15 1HB LYS 15 11.545 8.058 3.126 89 HB3 LYS 15 2HB LYS 15 10.353 6.821 2.749 90 HG2 LYS 15 1HG LYS 15 8.637 8.669 3.403 91 HG3 LYS 15 2HG LYS 15 9.990 9.760 3.091 92 HD2 LYS 15 1HD LYS 15 10.170 8.296 0.886 93 HD3 LYS 15 2HD LYS 15 8.455 8.041 1.214 94 HE2 LYS 15 1HE LYS 15 8.310 9.931 -0.050 95 HE3 LYS 15 2HE LYS 15 8.505 10.668 1.540 96 HZ1 LYS 15 3HZ LYS 15 9.955 11.588 -0.260 97 HZ2 LYS 15 1HZ LYS 15 10.785 10.113 -0.270 98 HZ3 LYS 15 2HZ LYS 15 10.780 11.071 1.124 99 H ALA 16 H ALA 16 8.885 8.585 6.422 100 HA ALA 16 HA ALA 16 6.973 6.766 7.104 101 HB1 ALA 16 3HB ALA 16 5.500 8.621 7.605 102 HB2 ALA 16 1HB ALA 16 7.156 9.030 8.055 103 HB3 ALA 16 2HB ALA 16 6.454 9.690 6.577 104 H VAL 17 H VAL 17 5.096 5.963 6.266 105 HA VAL 17 HA VAL 17 4.835 5.835 3.453 106 HB VAL 17 HB VAL 17 2.882 5.042 5.617 107 HG11 VAL 17 1HG1 VAL 17 2.676 5.035 2.694 108 HG12 VAL 17 2HG1 VAL 17 2.296 3.489 3.457 109 HG13 VAL 17 3HG1 VAL 17 1.414 4.945 3.923 110 HG21 VAL 17 3HG2 VAL 17 5.241 3.946 5.339 111 HG22 VAL 17 1HG2 VAL 17 3.816 2.938 5.592 112 HG23 VAL 17 2HG2 VAL 17 4.482 3.134 3.970 113 H ASP 18 H ASP 18 3.422 7.886 5.888 114 HA ASP 18 HA ASP 18 1.232 8.852 4.384 115 HB2 ASP 18 1HB ASP 18 0.903 10.383 6.104 116 HB3 ASP 18 2HB ASP 18 1.760 9.082 6.926 117 H LYS 19 H LYS 19 4.463 9.148 3.789 118 HA LYS 19 HA LYS 19 4.133 11.748 2.442 119 HB2 LYS 19 1HB LYS 19 6.431 10.469 3.828 120 HB3 LYS 19 2HB LYS 19 6.792 11.437 2.405 121 HG2 LYS 19 1HG LYS 19 7.003 12.893 4.230 122 HG3 LYS 19 2HG LYS 19 5.449 13.288 3.493 123 HD2 LYS 19 1HD LYS 19 4.252 12.154 5.194 124 HD3 LYS 19 2HD LYS 19 5.716 11.383 5.809 125 HE2 LYS 19 1HE LYS 19 5.433 14.366 5.784 126 HE3 LYS 19 2HE LYS 19 4.739 13.402 7.086 127 HZ1 LYS 19 3HZ LYS 19 6.724 13.272 8.025 128 HZ2 LYS 19 1HZ LYS 19 7.372 14.259 6.813 129 HZ3 LYS 19 2HZ LYS 19 7.389 12.577 6.633 130 H TRP 20 H TRP 20 4.110 8.520 1.862 131 HA TRP 20 HA TRP 20 5.743 8.278 -0.437 132 HB2 TRP 20 1HB TRP 20 3.335 6.690 0.468 133 HB3 TRP 20 2HB TRP 20 4.350 6.244 -0.901 134 HD1 TRP 20 HD TRP 20 6.557 7.605 1.685 135 HE1 TRP 20 1HE TRP 20 7.678 5.718 3.030 136 HE3 TRP 20 3HE TRP 20 3.637 3.689 0.178 137 HZ2 TRP 20 2HZ TRP 20 7.365 2.938 3.403 138 HZ3 TRP 20 3HZ TRP 20 4.114 1.448 1.075 139 HH2 TRP 20 HH TRP 20 5.940 1.082 2.654 140 H THR 21 H THR 21 4.899 7.843 -2.645 141 HA THR 21 HA THR 21 2.704 9.704 -3.286 142 HB THR 21 HB THR 21 3.803 9.843 -5.568 143 HG1 THR 21 1HG THR 21 6.198 9.050 -4.342 144 HG21 THR 21 3HG2 THR 21 5.564 10.838 -3.336 145 HG22 THR 21 1HG2 THR 21 3.996 11.554 -3.706 146 HG23 THR 21 2HG2 THR 21 5.283 11.577 -4.913 147 H THR 22 H THR 22 1.421 9.182 -5.190 148 HA THR 22 HA THR 22 0.176 6.774 -5.146 149 HB THR 22 HB THR 22 0.610 8.165 -7.780 150 HG1 THR 22 1HG THR 22 -0.686 9.085 -5.472 151 HG21 THR 22 3HG2 THR 22 -1.428 7.277 -8.401 152 HG22 THR 22 1HG2 THR 22 -1.992 7.130 -6.737 153 HG23 THR 22 2HG2 THR 22 -0.799 5.994 -7.367 154 H GLU 23 H GLU 23 3.245 7.489 -6.606 155 HA GLU 23 HA GLU 23 3.360 5.087 -8.183 156 HB2 GLU 23 1HB GLU 23 4.629 7.385 -8.467 157 HB3 GLU 23 2HB GLU 23 5.810 6.616 -7.416 158 HG2 GLU 23 1HG GLU 23 5.801 4.685 -9.056 159 HG3 GLU 23 2HG GLU 23 4.909 5.749 -10.143 160 H GLU 24 H GLU 24 5.083 6.225 -5.275 161 HA GLU 24 HA GLU 24 6.442 3.836 -4.751 162 HB2 GLU 24 1HB GLU 24 5.518 5.943 -2.789 163 HB3 GLU 24 2HB GLU 24 6.730 4.712 -2.467 164 HG2 GLU 24 1HG GLU 24 7.962 5.719 -4.497 165 HG3 GLU 24 2HG GLU 24 6.904 7.106 -4.244 166 H VAL 25 H VAL 25 3.270 4.977 -3.691 167 HA VAL 25 HA VAL 25 2.628 3.059 -1.816 168 HB VAL 25 HB VAL 25 0.774 4.289 -3.860 169 HG11 VAL 25 1HG1 VAL 25 -0.392 3.636 -1.298 170 HG12 VAL 25 2HG1 VAL 25 -0.929 3.203 -2.923 171 HG13 VAL 25 3HG1 VAL 25 0.264 2.204 -2.091 172 HG21 VAL 25 3HG2 VAL 25 0.335 5.509 -1.432 173 HG22 VAL 25 1HG2 VAL 25 2.088 5.321 -1.475 174 HG23 VAL 25 2HG2 VAL 25 1.261 6.181 -2.774 175 H VAL 26 H VAL 26 2.269 2.882 -5.341 176 HA VAL 26 HA VAL 26 1.142 0.254 -5.308 177 HB VAL 26 HB VAL 26 2.383 1.819 -7.575 178 HG11 VAL 26 1HG1 VAL 26 0.607 -0.605 -7.773 179 HG12 VAL 26 2HG1 VAL 26 1.448 0.230 -9.080 180 HG13 VAL 26 3HG1 VAL 26 2.365 -0.674 -7.875 181 HG21 VAL 26 3HG2 VAL 26 -0.516 1.328 -7.491 182 HG22 VAL 26 1HG2 VAL 26 0.103 2.406 -6.240 183 HG23 VAL 26 2HG2 VAL 26 0.378 2.780 -7.941 184 H LEU 27 H LEU 27 4.370 1.583 -5.593 185 HA LEU 27 HA LEU 27 5.683 -0.722 -6.533 186 HB2 LEU 27 1HB LEU 27 6.489 1.788 -5.176 187 HB3 LEU 27 2HB LEU 27 7.636 0.450 -5.151 188 HG LEU 27 HG LEU 27 6.543 1.885 -7.564 189 HD11 LEU 27 1HD1 LEU 27 8.313 3.175 -7.135 190 HD12 LEU 27 2HD1 LEU 27 9.277 1.815 -7.710 191 HD13 LEU 27 3HD1 LEU 27 8.990 2.024 -5.983 192 HD21 LEU 27 3HD2 LEU 27 8.396 0.240 -8.584 193 HD22 LEU 27 1HD2 LEU 27 6.680 -0.163 -8.514 194 HD23 LEU 27 2HD2 LEU 27 7.782 -0.783 -7.284 195 H TRP 28 H TRP 28 5.207 0.507 -3.230 196 HA TRP 28 HA TRP 28 6.555 -1.570 -1.908 197 HB2 TRP 28 1HB TRP 28 6.159 0.273 -0.553 198 HB3 TRP 28 2HB TRP 28 4.493 0.444 -1.098 199 HD1 TRP 28 HD TRP 28 6.642 -1.633 1.320 200 HE1 TRP 28 1HE TRP 28 5.094 -2.671 3.094 201 HE3 TRP 28 3HE TRP 28 2.125 -0.256 -0.639 202 HZ2 TRP 28 2HZ TRP 28 2.324 -2.879 3.597 203 HZ3 TRP 28 3HZ TRP 28 0.074 -0.914 0.550 204 HH2 TRP 28 HH TRP 28 0.174 -2.199 2.624 205 H LEU 29 H LEU 29 3.185 -1.227 -2.906 206 HA LEU 29 HA LEU 29 2.314 -3.641 -1.652 207 HB2 LEU 29 1HB LEU 29 0.656 -2.020 -2.021 208 HB3 LEU 29 2HB LEU 29 1.126 -1.804 -3.705 209 HG LEU 29 HG LEU 29 0.327 -4.295 -3.924 210 HD11 LEU 29 1HD1 LEU 29 -1.153 -3.331 -1.483 211 HD12 LEU 29 2HD1 LEU 29 -0.067 -4.716 -1.588 212 HD13 LEU 29 3HD1 LEU 29 -1.606 -4.736 -2.448 213 HD21 LEU 29 3HD2 LEU 29 -0.643 -2.371 -5.084 214 HD22 LEU 29 1HD2 LEU 29 -1.598 -1.988 -3.652 215 HD23 LEU 29 2HD2 LEU 29 -1.891 -3.489 -4.531 216 H GLU 30 H GLU 30 3.689 -2.816 -4.741 217 HA GLU 30 HA GLU 30 2.955 -5.254 -6.051 218 HB2 GLU 30 1HB GLU 30 4.789 -2.972 -6.690 219 HB3 GLU 30 2HB GLU 30 4.880 -4.452 -7.634 220 HG2 GLU 30 1HG GLU 30 2.524 -4.232 -8.221 221 HG3 GLU 30 2HG GLU 30 2.422 -2.755 -7.265 222 H GLN 31 H GLN 31 4.831 -4.870 -3.485 223 HA GLN 31 HA GLN 31 6.899 -6.768 -4.361 224 HB2 GLN 31 1HB GLN 31 6.796 -4.762 -2.126 225 HB3 GLN 31 2HB GLN 31 7.944 -6.093 -2.096 226 HG2 GLN 31 1HG GLN 31 9.041 -5.324 -4.034 227 HG3 GLN 31 2HG GLN 31 7.744 -4.191 -4.408 228 HE21 GLN 31 2HE2 GLN 31 8.918 -1.646 -2.343 229 HE22 GLN 31 1HE2 GLN 31 7.626 -2.249 -3.319 230 H LEU 32 H LEU 32 4.214 -6.307 -2.212 231 HA LEU 32 HA LEU 32 4.714 -8.402 -0.401 232 HB2 LEU 32 1HB LEU 32 1.940 -7.669 -1.225 233 HB3 LEU 32 2HB LEU 32 2.559 -8.082 0.372 234 HG LEU 32 HG LEU 32 2.886 -5.472 -1.100 235 HD11 LEU 32 1HD1 LEU 32 0.732 -6.103 0.167 236 HD12 LEU 32 2HD1 LEU 32 1.487 -4.545 0.503 237 HD13 LEU 32 3HD1 LEU 32 1.708 -5.890 1.621 238 HD21 LEU 32 3HD2 LEU 32 3.826 -5.324 1.568 239 HD22 LEU 32 1HD2 LEU 32 4.723 -5.068 0.071 240 HD23 LEU 32 2HD2 LEU 32 4.640 -6.679 0.785 241 H GLY 33 H GLY 33 3.603 -8.385 -3.670 242 HA2 GLY 33 1HA GLY 33 3.946 -11.112 -4.077 243 HA3 GLY 33 2HA GLY 33 2.250 -10.879 -3.677 244 HA PRO 34 HA PRO 34 3.224 -10.037 -8.260 245 HB2 PRO 34 2HB PRO 34 3.882 -12.162 -8.836 246 HB3 PRO 34 1HB PRO 34 2.186 -12.317 -9.308 247 HG2 PRO 34 1HG PRO 34 1.608 -13.412 -7.344 248 HG3 PRO 34 2HG PRO 34 3.269 -13.998 -7.547 249 HD2 PRO 34 1HD PRO 34 2.429 -12.752 -5.295 250 HD3 PRO 34 2HD PRO 34 4.093 -12.614 -5.899 251 H TRP 35 H TRP 35 0.536 -11.188 -6.381 252 HA TRP 35 HA TRP 35 -1.496 -10.668 -8.310 253 HB2 TRP 35 1HB TRP 35 -3.017 -10.771 -6.279 254 HB3 TRP 35 2HB TRP 35 -2.035 -12.203 -6.579 255 HD1 TRP 35 HD TRP 35 -0.711 -13.079 -4.566 256 HE1 TRP 35 1HE TRP 35 -0.047 -12.153 -2.258 257 HE3 TRP 35 3HE TRP 35 -2.405 -8.285 -5.098 258 HZ2 TRP 35 2HZ TRP 35 -0.219 -9.713 -0.849 259 HZ3 TRP 35 3HZ TRP 35 -2.117 -6.718 -3.223 260 HH2 TRP 35 HH TRP 35 -1.047 -7.419 -1.143 261 H ALA 36 H ALA 36 0.419 -8.661 -6.375 262 HA ALA 36 HA ALA 36 -1.317 -6.572 -5.720 263 HB1 ALA 36 3HB ALA 36 1.623 -6.786 -6.140 264 HB2 ALA 36 1HB ALA 36 0.896 -5.186 -5.990 265 HB3 ALA 36 2HB ALA 36 0.718 -6.362 -4.687 266 H SER 37 H SER 37 -0.092 -7.576 -8.763 267 HA SER 37 HA SER 37 -0.362 -5.046 -10.091 268 HB2 SER 37 1HB SER 37 1.105 -7.105 -10.752 269 HB3 SER 37 2HB SER 37 -0.368 -7.679 -11.534 270 HG SER 37 HG SER 37 1.231 -5.463 -12.142 271 H LEU 38 H LEU 38 -2.564 -7.263 -8.940 272 HA LEU 38 HA LEU 38 -4.525 -6.885 -11.055 273 HB2 LEU 38 1HB LEU 38 -4.832 -8.301 -8.414 274 HB3 LEU 38 2HB LEU 38 -5.920 -8.395 -9.797 275 HG LEU 38 HG LEU 38 -3.073 -9.324 -9.988 276 HD11 LEU 38 1HD1 LEU 38 -3.726 -10.677 -8.240 277 HD12 LEU 38 2HD1 LEU 38 -4.206 -11.638 -9.638 278 HD13 LEU 38 3HD1 LEU 38 -5.414 -10.707 -8.752 279 HD21 LEU 38 3HD2 LEU 38 -3.717 -9.628 -12.094 280 HD22 LEU 38 1HD2 LEU 38 -5.395 -9.254 -11.704 281 HD23 LEU 38 2HD2 LEU 38 -4.790 -10.899 -11.507 282 H TYR 39 H TYR 39 -3.578 -5.381 -8.165 283 HA TYR 39 HA TYR 39 -6.166 -3.987 -7.969 284 HB2 TYR 39 1HB TYR 39 -4.043 -4.288 -5.835 285 HB3 TYR 39 2HB TYR 39 -5.599 -3.487 -5.644 286 HD1 TYR 39 1HD TYR 39 -3.949 -6.753 -6.135 287 HD2 TYR 39 2HD TYR 39 -7.586 -4.738 -5.231 288 HE1 TYR 39 1HE TYR 39 -4.955 -8.890 -5.449 289 HE2 TYR 39 2HE TYR 39 -8.602 -6.869 -4.541 290 HH TYR 39 HH TYR 39 -7.339 -9.834 -5.289 291 H ARG 40 H ARG 40 -2.762 -3.661 -8.469 292 HA ARG 40 HA ARG 40 -2.078 -1.141 -7.839 293 HB2 ARG 40 1HB ARG 40 -0.520 -1.149 -9.605 294 HB3 ARG 40 2HB ARG 40 -0.762 -2.845 -9.209 295 HG2 ARG 40 1HG ARG 40 -2.404 -2.957 -11.097 296 HG3 ARG 40 2HG ARG 40 -1.891 -1.329 -11.546 297 HD2 ARG 40 1HD ARG 40 0.506 -2.456 -11.399 298 HD3 ARG 40 2HD ARG 40 -0.433 -3.909 -11.739 299 HE ARG 40 HE ARG 40 -0.772 -3.156 -13.878 300 HH11 ARG 40 2HH1 ARG 40 0.446 -0.552 -11.914 301 HH12 ARG 40 1HH1 ARG 40 0.692 0.518 -13.255 302 HH21 ARG 40 1HH2 ARG 40 0.180 -0.168 -15.380 303 HH22 ARG 40 2HH2 ARG 40 -0.453 -1.757 -15.651 304 H ASP 41 H ASP 41 -4.041 -2.029 -10.660 305 HA ASP 41 HA ASP 41 -4.344 0.466 -11.815 306 HB2 ASP 41 1HB ASP 41 -6.485 -1.664 -11.634 307 HB3 ASP 41 2HB ASP 41 -6.364 -0.394 -12.848 308 H ARG 42 H ARG 42 -6.215 -1.004 -9.190 309 HA ARG 42 HA ARG 42 -8.083 1.102 -8.930 310 HB2 ARG 42 1HB ARG 42 -7.194 -0.771 -6.737 311 HB3 ARG 42 2HB ARG 42 -8.733 0.068 -6.870 312 HG2 ARG 42 1HG ARG 42 -8.970 -1.285 -9.080 313 HG3 ARG 42 2HG ARG 42 -7.747 -2.326 -8.348 314 HD2 ARG 42 1HD ARG 42 -9.161 -2.685 -6.418 315 HD3 ARG 42 2HD ARG 42 -10.357 -1.555 -7.050 316 HE ARG 42 HE ARG 42 -10.092 -4.295 -7.730 317 HH11 ARG 42 2HH1 ARG 42 -10.890 -1.184 -9.074 318 HH12 ARG 42 1HH1 ARG 42 -11.905 -1.836 -10.317 319 HH21 ARG 42 1HH2 ARG 42 -12.211 -4.100 -10.479 320 HH22 ARG 42 2HH2 ARG 42 -11.427 -5.165 -9.362 321 H PHE 43 H PHE 43 -4.837 0.663 -7.799 322 HA PHE 43 HA PHE 43 -4.975 2.701 -5.774 323 HB2 PHE 43 1HB PHE 43 -2.706 1.143 -7.004 324 HB3 PHE 43 2HB PHE 43 -2.430 2.431 -5.836 325 HD1 PHE 43 2HD PHE 43 -4.918 -0.342 -6.051 326 HD2 PHE 43 1HD PHE 43 -1.838 1.551 -3.805 327 HE1 PHE 43 2HE PHE 43 -5.282 -1.937 -4.214 328 HE2 PHE 43 1HE PHE 43 -2.196 -0.042 -1.965 329 HZ PHE 43 HZ PHE 43 -3.920 -1.788 -2.167 330 H LEU 44 H LEU 44 -3.544 2.443 -9.017 331 HA LEU 44 HA LEU 44 -2.548 5.088 -9.097 332 HB2 LEU 44 1HB LEU 44 -3.200 3.072 -11.226 333 HB3 LEU 44 2HB LEU 44 -2.578 4.675 -11.615 334 HG LEU 44 HG LEU 44 -0.731 3.207 -11.682 335 HD11 LEU 44 1HD1 LEU 44 -0.461 4.317 -8.919 336 HD12 LEU 44 2HD1 LEU 44 -0.580 5.394 -10.310 337 HD13 LEU 44 3HD1 LEU 44 0.736 4.225 -10.211 338 HD21 LEU 44 3HD2 LEU 44 -1.696 1.310 -10.526 339 HD22 LEU 44 1HD2 LEU 44 -1.635 2.181 -8.993 340 HD23 LEU 44 2HD2 LEU 44 -0.139 1.724 -9.808 341 H SER 45 H SER 45 -5.416 3.651 -10.658 342 HA SER 45 HA SER 45 -6.483 5.920 -11.791 343 HB2 SER 45 1HB SER 45 -7.296 3.422 -11.805 344 HB3 SER 45 2HB SER 45 -8.324 3.955 -10.475 345 HG SER 45 HG SER 45 -8.447 4.565 -13.169 346 H GLU 46 H GLU 46 -7.015 4.693 -8.499 347 HA GLU 46 HA GLU 46 -8.615 6.987 -7.781 348 HB2 GLU 46 1HB GLU 46 -7.588 4.613 -6.232 349 HB3 GLU 46 2HB GLU 46 -8.470 5.928 -5.467 350 HG2 GLU 46 1HG GLU 46 -9.502 4.174 -7.684 351 HG3 GLU 46 2HG GLU 46 -9.922 4.041 -5.977 352 H ARG 47 H ARG 47 -5.636 7.086 -8.542 353 HA ARG 47 HA ARG 47 -3.679 8.039 -7.791 354 HB2 ARG 47 1HB ARG 47 -5.795 10.004 -6.901 355 HB3 ARG 47 2HB ARG 47 -4.075 10.367 -6.943 356 HG2 ARG 47 1HG ARG 47 -5.654 9.502 -9.352 357 HG3 ARG 47 2HG ARG 47 -5.380 11.187 -8.906 358 HD2 ARG 47 1HD ARG 47 -3.146 9.215 -9.321 359 HD3 ARG 47 2HD ARG 47 -3.797 10.211 -10.621 360 HE ARG 47 HE ARG 47 -3.196 12.022 -8.710 361 HH11 ARG 47 2HH1 ARG 47 -1.391 9.448 -10.207 362 HH12 ARG 47 1HH1 ARG 47 0.138 10.244 -10.034 363 HH21 ARG 47 1HH2 ARG 47 0.252 12.309 -9.049 364 HH22 ARG 47 2HH2 ARG 47 -1.188 13.080 -8.477 365 H VAL 48 H VAL 48 -4.718 6.102 -5.940 366 HA VAL 48 HA VAL 48 -4.819 6.922 -3.290 367 HB VAL 48 HB VAL 48 -3.617 4.345 -4.312 368 HG11 VAL 48 1HG1 VAL 48 -3.651 5.325 -1.745 369 HG12 VAL 48 2HG1 VAL 48 -5.088 4.302 -1.797 370 HG13 VAL 48 3HG1 VAL 48 -3.509 3.627 -2.199 371 HG21 VAL 48 3HG2 VAL 48 -5.902 3.429 -3.948 372 HG22 VAL 48 1HG2 VAL 48 -6.474 5.078 -3.688 373 HG23 VAL 48 2HG2 VAL 48 -5.811 4.611 -5.254 374 H ASN 49 H ASN 49 -3.365 8.311 -2.467 375 HA ASN 49 HA ASN 49 -0.516 7.875 -2.969 376 HB2 ASN 49 1HB ASN 49 -0.159 10.101 -2.174 377 HB3 ASN 49 2HB ASN 49 -1.559 10.158 -3.240 378 HD21 ASN 49 2HD2 ASN 49 -1.853 11.162 0.654 379 HD22 ASN 49 1HD2 ASN 49 -0.381 10.593 -0.051 380 H GLY 50 H GLY 50 0.994 8.108 -1.126 381 HA2 GLY 50 1HA GLY 50 0.876 6.222 0.755 382 HA3 GLY 50 2HA GLY 50 1.633 7.772 1.089 383 H ARG 51 H ARG 51 -0.004 9.539 1.715 384 HA ARG 51 HA ARG 51 -1.078 9.069 4.151 385 HB2 ARG 51 1HB ARG 51 -0.950 11.250 2.651 386 HB3 ARG 51 2HB ARG 51 -2.642 10.870 2.357 387 HG2 ARG 51 1HG ARG 51 -1.535 11.049 5.136 388 HG3 ARG 51 2HG ARG 51 -2.088 12.477 4.259 389 HD2 ARG 51 1HD ARG 51 -4.258 11.180 3.880 390 HD3 ARG 51 2HD ARG 51 -3.672 10.076 5.124 391 HE ARG 51 HE ARG 51 -4.797 12.658 5.527 392 HH11 ARG 51 2HH1 ARG 51 -2.437 10.423 6.773 393 HH12 ARG 51 1HH1 ARG 51 -2.511 11.044 8.389 394 HH21 ARG 51 1HH2 ARG 51 -3.914 12.785 8.887 395 HH22 ARG 51 2HH2 ARG 51 -4.903 13.484 7.650 396 H LEU 52 H LEU 52 -2.847 8.793 1.077 397 HA LEU 52 HA LEU 52 -5.319 8.043 2.144 398 HB2 LEU 52 1HB LEU 52 -4.814 8.724 -0.223 399 HB3 LEU 52 2HB LEU 52 -4.179 7.100 -0.478 400 HG LEU 52 HG LEU 52 -6.505 7.483 -1.322 401 HD11 LEU 52 1HD1 LEU 52 -7.077 5.413 0.572 402 HD12 LEU 52 2HD1 LEU 52 -5.402 5.289 0.036 403 HD13 LEU 52 3HD1 LEU 52 -6.709 5.284 -1.148 404 HD21 LEU 52 3HD2 LEU 52 -8.268 7.954 0.046 405 HD22 LEU 52 1HD2 LEU 52 -6.997 8.829 0.900 406 HD23 LEU 52 2HD2 LEU 52 -7.505 7.238 1.466 407 H LEU 53 H LEU 53 -2.636 6.016 0.983 408 HA LEU 53 HA LEU 53 -3.724 3.518 1.322 409 HB2 LEU 53 1HB LEU 53 -1.442 4.142 0.421 410 HB3 LEU 53 2HB LEU 53 -0.898 4.201 2.097 411 HG LEU 53 HG LEU 53 -1.540 1.802 2.318 412 HD11 LEU 53 1HD1 LEU 53 -2.162 2.177 -0.588 413 HD12 LEU 53 2HD1 LEU 53 -3.139 1.419 0.669 414 HD13 LEU 53 3HD1 LEU 53 -1.701 0.601 0.056 415 HD21 LEU 53 3HD2 LEU 53 0.711 1.933 2.048 416 HD22 LEU 53 1HD2 LEU 53 0.591 2.836 0.537 417 HD23 LEU 53 2HD2 LEU 53 0.317 1.093 0.547 418 H LEU 54 H LEU 54 -2.168 5.549 3.775 419 HA LEU 54 HA LEU 54 -2.392 3.660 5.880 420 HB2 LEU 54 1HB LEU 54 -1.927 6.620 5.775 421 HB3 LEU 54 2HB LEU 54 -2.123 5.781 7.313 422 HG LEU 54 HG LEU 54 -0.024 4.989 5.311 423 HD11 LEU 54 1HD1 LEU 54 0.047 7.133 7.405 424 HD12 LEU 54 2HD1 LEU 54 0.572 7.205 5.723 425 HD13 LEU 54 3HD1 LEU 54 1.510 6.286 6.900 426 HD21 LEU 54 3HD2 LEU 54 -0.904 4.029 7.873 427 HD22 LEU 54 1HD2 LEU 54 0.778 4.554 7.956 428 HD23 LEU 54 2HD2 LEU 54 0.289 3.345 6.769 429 H THR 55 H THR 55 -4.312 6.535 5.035 430 HA THR 55 HA THR 55 -6.166 6.475 7.071 431 HB THR 55 HB THR 55 -7.705 7.648 5.595 432 HG1 THR 55 1HG THR 55 -7.120 6.205 3.734 433 HG21 THR 55 3HG2 THR 55 -4.814 8.340 5.587 434 HG22 THR 55 1HG2 THR 55 -6.181 9.209 6.282 435 HG23 THR 55 2HG2 THR 55 -5.887 9.273 4.544 436 H LEU 56 H LEU 56 -5.872 4.354 4.336 437 HA LEU 56 HA LEU 56 -8.497 3.285 4.379 438 HB2 LEU 56 1HB LEU 56 -5.898 2.148 3.366 439 HB3 LEU 56 2HB LEU 56 -7.471 1.393 3.114 440 HG LEU 56 HG LEU 56 -6.829 4.168 2.140 441 HD11 LEU 56 1HD1 LEU 56 -6.892 2.305 0.009 442 HD12 LEU 56 2HD1 LEU 56 -5.733 1.721 1.203 443 HD13 LEU 56 3HD1 LEU 56 -5.561 3.340 0.526 444 HD21 LEU 56 3HD2 LEU 56 -8.792 2.335 0.874 445 HD22 LEU 56 1HD2 LEU 56 -8.820 4.091 1.036 446 HD23 LEU 56 2HD2 LEU 56 -9.225 3.071 2.418 447 H THR 57 H THR 57 -9.409 1.812 5.662 448 HA THR 57 HA THR 57 -7.669 0.340 7.533 449 HB THR 57 HB THR 57 -9.460 0.374 9.170 450 HG1 THR 57 1HG THR 57 -10.893 1.525 7.034 451 HG21 THR 57 3HG2 THR 57 -9.734 3.033 9.211 452 HG22 THR 57 1HG2 THR 57 -8.431 2.911 8.029 453 HG23 THR 57 2HG2 THR 57 -8.225 2.228 9.643 454 H GLU 58 H GLU 58 -8.875 -1.643 8.457 455 HA GLU 58 HA GLU 58 -9.223 -3.523 6.470 456 HB2 GLU 58 1HB GLU 58 -8.889 -3.868 8.989 457 HB3 GLU 58 2HB GLU 58 -10.635 -3.709 9.123 458 HG2 GLU 58 1HG GLU 58 -11.023 -5.660 7.891 459 HG3 GLU 58 2HG GLU 58 -9.372 -5.700 7.274 460 H GLU 59 H GLU 59 -11.388 -1.091 7.459 461 HA GLU 59 HA GLU 59 -13.751 -2.469 6.467 462 HB2 GLU 59 1HB GLU 59 -14.491 -1.212 8.210 463 HB3 GLU 59 2HB GLU 59 -13.214 -0.018 8.028 464 HG2 GLU 59 1HG GLU 59 -14.398 1.224 6.506 465 HG3 GLU 59 2HG GLU 59 -15.377 -0.147 5.988 466 H GLU 60 H GLU 60 -12.144 0.645 5.782 467 HA GLU 60 HA GLU 60 -13.489 1.376 3.517 468 HB2 GLU 60 1HB GLU 60 -10.554 1.702 4.151 469 HB3 GLU 60 2HB GLU 60 -11.353 2.506 2.807 470 HG2 GLU 60 1HG GLU 60 -12.338 2.807 5.619 471 HG3 GLU 60 2HG GLU 60 -11.039 3.811 4.978 472 H PHE 61 H PHE 61 -10.894 -0.984 3.804 473 HA PHE 61 HA PHE 61 -10.441 -1.377 1.051 474 HB2 PHE 61 1HB PHE 61 -9.936 -3.052 3.496 475 HB3 PHE 61 2HB PHE 61 -9.600 -3.681 1.887 476 HD1 PHE 61 1HD PHE 61 -8.510 -1.395 0.483 477 HD2 PHE 61 2HD PHE 61 -7.904 -2.652 4.504 478 HE1 PHE 61 1HE PHE 61 -6.321 -0.272 0.500 479 HE2 PHE 61 2HE PHE 61 -5.715 -1.530 4.528 480 HZ PHE 61 HZ PHE 61 -4.921 -0.337 2.525 481 H SER 62 H SER 62 -12.831 -2.639 3.258 482 HA SER 62 HA SER 62 -13.738 -4.716 1.492 483 HB2 SER 62 1HB SER 62 -14.116 -5.162 3.777 484 HB3 SER 62 2HB SER 62 -14.780 -3.554 4.069 485 HG SER 62 HG SER 62 -16.672 -4.208 3.390 486 H ARG 63 H ARG 63 -13.848 -1.548 1.078 487 HA ARG 63 HA ARG 63 -16.568 -1.559 -0.059 488 HB2 ARG 63 1HB ARG 63 -14.931 0.830 0.811 489 HB3 ARG 63 2HB ARG 63 -16.571 0.870 0.177 490 HG2 ARG 63 1HG ARG 63 -15.765 -0.516 2.724 491 HG3 ARG 63 2HG ARG 63 -16.438 1.113 2.636 492 HD2 ARG 63 1HD ARG 63 -17.780 -1.430 1.727 493 HD3 ARG 63 2HD ARG 63 -18.171 -0.505 3.176 494 HE ARG 63 HE ARG 63 -18.371 1.107 0.847 495 HH11 ARG 63 2HH1 ARG 63 -20.013 -1.388 2.636 496 HH12 ARG 63 1HH1 ARG 63 -21.588 -0.936 2.073 497 HH21 ARG 63 1HH2 ARG 63 -21.829 0.826 0.629 498 HH22 ARG 63 2HH2 ARG 63 -20.439 1.711 0.099 499 H ALA 64 H ALA 64 -16.876 -0.783 -2.142 500 HA ALA 64 HA ALA 64 -14.792 -1.234 -3.981 501 HB1 ALA 64 3HB ALA 64 -16.780 0.378 -5.202 502 HB2 ALA 64 1HB ALA 64 -16.530 -1.362 -5.350 503 HB3 ALA 64 2HB ALA 64 -17.583 -0.727 -4.086 504 HA PRO 65 HA PRO 65 -14.917 -0.290 -6.338 505 HB2 PRO 65 2HB PRO 65 -13.988 1.186 -7.835 506 HB3 PRO 65 1HB PRO 65 -12.580 0.132 -7.654 507 HG2 PRO 65 1HG PRO 65 -11.544 1.563 -6.147 508 HG3 PRO 65 2HG PRO 65 -12.401 2.744 -7.156 509 HD2 PRO 65 1HD PRO 65 -12.718 2.620 -4.469 510 HD3 PRO 65 2HD PRO 65 -14.026 3.113 -5.563 511 H TYR 66 H TYR 66 -12.378 -0.052 -4.021 512 HA TYR 66 HA TYR 66 -10.770 -2.225 -4.672 513 HB2 TYR 66 1HB TYR 66 -11.418 -1.686 -1.804 514 HB3 TYR 66 2HB TYR 66 -9.862 -2.024 -2.555 515 HD1 TYR 66 1HD TYR 66 -9.378 -0.086 -4.505 516 HD2 TYR 66 2HD TYR 66 -11.513 0.406 -0.858 517 HE1 TYR 66 1HE TYR 66 -8.867 2.319 -4.537 518 HE2 TYR 66 2HE TYR 66 -11.009 2.813 -0.881 519 HH TYR 66 HH TYR 66 -9.945 4.444 -3.543 520 H THR 67 H THR 67 -13.714 -2.124 -2.690 521 HA THR 67 HA THR 67 -14.840 -3.883 -1.662 522 HB THR 67 HB THR 67 -15.715 -3.462 -4.064 523 HG1 THR 67 1HG THR 67 -17.138 -5.311 -3.790 524 HG21 THR 67 3HG2 THR 67 -13.737 -5.327 -4.667 525 HG22 THR 67 1HG2 THR 67 -15.016 -4.763 -5.740 526 HG23 THR 67 2HG2 THR 67 -15.248 -6.227 -4.784 527 H ILE 68 H ILE 68 -12.062 -4.377 -1.471 528 HA ILE 68 HA ILE 68 -11.123 -6.795 -2.396 529 HB ILE 68 HB ILE 68 -10.655 -5.584 0.331 530 HG12 ILE 68 1HG1 ILE 68 -8.871 -5.444 -2.097 531 HG13 ILE 68 2HG1 ILE 68 -10.093 -4.223 -1.758 532 HG21 ILE 68 1HG2 ILE 68 -9.209 -7.771 -1.148 533 HG22 ILE 68 2HG2 ILE 68 -8.529 -6.912 0.232 534 HG23 ILE 68 3HG2 ILE 68 -9.997 -7.869 0.426 535 HD11 ILE 68 3HD1 ILE 68 -8.828 -3.241 -0.215 536 HD12 ILE 68 1HD1 ILE 68 -8.366 -4.777 0.517 537 HD13 ILE 68 2HD1 ILE 68 -7.500 -4.178 -0.898 538 H GLU 69 H GLU 69 -12.539 -8.483 -2.476 539 HA GLU 69 HA GLU 69 -14.083 -9.249 -0.157 540 HB2 GLU 69 1HB GLU 69 -13.734 -10.694 -2.789 541 HB3 GLU 69 2HB GLU 69 -14.954 -11.032 -1.569 542 HG2 GLU 69 1HG GLU 69 -15.680 -8.589 -1.936 543 HG3 GLU 69 2HG GLU 69 -14.745 -8.700 -3.426 544 H ASN 70 H ASN 70 -11.022 -10.004 -1.521 545 HA ASN 70 HA ASN 70 -10.782 -12.556 -0.169 546 HB2 ASN 70 1HB ASN 70 -9.720 -11.863 -2.444 547 HB3 ASN 70 2HB ASN 70 -8.491 -11.092 -1.445 548 HD21 ASN 70 2HD2 ASN 70 -7.391 -14.515 -2.291 549 HD22 ASN 70 1HD2 ASN 70 -7.846 -13.105 -3.180 550 H SER 71 H SER 71 -10.950 -12.062 2.015 551 HA SER 71 HA SER 71 -9.922 -10.078 3.510 552 HB2 SER 71 1HB SER 71 -9.943 -13.032 4.150 553 HB3 SER 71 2HB SER 71 -9.560 -11.790 5.342 554 HG SER 71 HG SER 71 -11.904 -11.495 3.858 555 H SER 72 H SER 72 -8.083 -12.954 2.509 556 HA SER 72 HA SER 72 -5.696 -12.620 3.709 557 HB2 SER 72 1HB SER 72 -6.165 -13.313 0.802 558 HB3 SER 72 2HB SER 72 -4.625 -13.531 1.633 559 HG SER 72 HG SER 72 -6.886 -14.619 2.838 560 H HIS 73 H HIS 73 -6.730 -10.879 0.790 561 HA HIS 73 HA HIS 73 -4.419 -9.409 0.333 562 HB2 HIS 73 1HB HIS 73 -6.391 -9.531 -1.194 563 HB3 HIS 73 2HB HIS 73 -7.253 -8.448 -0.105 564 HD1 HIS 73 1HD HIS 73 -7.191 -6.103 -0.852 565 HD2 HIS 73 2HD HIS 73 -3.794 -8.179 -2.041 566 HE1 HIS 73 1HE HIS 73 -5.820 -4.454 -2.165 567 HE2 HIS 73 2HE HIS 73 -3.811 -5.757 -2.946 568 H ARG 74 H ARG 74 -7.228 -8.578 2.343 569 HA ARG 74 HA ARG 74 -6.317 -6.049 3.159 570 HB2 ARG 74 1HB ARG 74 -8.295 -8.015 4.252 571 HB3 ARG 74 2HB ARG 74 -7.860 -6.601 5.203 572 HG2 ARG 74 1HG ARG 74 -8.479 -5.209 3.191 573 HG3 ARG 74 2HG ARG 74 -9.166 -6.681 2.501 574 HD2 ARG 74 1HD ARG 74 -9.959 -5.921 5.263 575 HD3 ARG 74 2HD ARG 74 -10.622 -4.986 3.923 576 HE ARG 74 HE ARG 74 -11.048 -7.575 3.200 577 HH11 ARG 74 2HH1 ARG 74 -11.836 -5.661 5.999 578 HH12 ARG 74 1HH1 ARG 74 -13.283 -6.543 6.357 579 HH21 ARG 74 1HH2 ARG 74 -13.917 -8.297 5.026 580 HH22 ARG 74 2HH2 ARG 74 -12.952 -8.744 3.660 581 H ARG 75 H ARG 75 -5.669 -9.276 4.356 582 HA ARG 75 HA ARG 75 -4.457 -8.469 6.803 583 HB2 ARG 75 1HB ARG 75 -5.395 -10.777 6.184 584 HB3 ARG 75 2HB ARG 75 -3.871 -11.037 5.345 585 HG2 ARG 75 1HG ARG 75 -3.772 -10.137 8.172 586 HG3 ARG 75 2HG ARG 75 -4.235 -11.807 7.837 587 HD2 ARG 75 1HD ARG 75 -2.150 -11.905 6.368 588 HD3 ARG 75 2HD ARG 75 -1.672 -10.399 7.150 589 HE ARG 75 HE ARG 75 -2.354 -12.455 9.022 590 HH11 ARG 75 2HH1 ARG 75 0.178 -11.204 6.985 591 HH12 ARG 75 1HH1 ARG 75 1.457 -11.873 7.943 592 HH21 ARG 75 1HH2 ARG 75 0.970 -13.088 9.823 593 HH22 ARG 75 2HH2 ARG 75 -0.678 -13.340 10.291 594 H VAL 76 H VAL 76 -3.234 -9.213 3.573 595 HA VAL 76 HA VAL 76 -0.485 -9.096 4.212 596 HB VAL 76 HB VAL 76 -1.828 -8.535 1.563 597 HG11 VAL 76 1HG1 VAL 76 0.907 -8.350 2.393 598 HG12 VAL 76 2HG1 VAL 76 0.729 -9.649 1.212 599 HG13 VAL 76 3HG1 VAL 76 0.197 -8.015 0.815 600 HG21 VAL 76 3HG2 VAL 76 -1.935 -10.862 2.951 601 HG22 VAL 76 1HG2 VAL 76 -1.980 -10.749 1.191 602 HG23 VAL 76 2HG2 VAL 76 -0.459 -11.097 2.014 603 H ILE 77 H ILE 77 -2.489 -6.693 2.491 604 HA ILE 77 HA ILE 77 -0.650 -4.632 2.421 605 HB ILE 77 HB ILE 77 -3.656 -4.541 2.596 606 HG12 ILE 77 1HG1 ILE 77 -1.758 -3.991 0.305 607 HG13 ILE 77 2HG1 ILE 77 -2.599 -5.517 0.562 608 HG21 ILE 77 1HG2 ILE 77 -2.731 -2.128 1.518 609 HG22 ILE 77 2HG2 ILE 77 -3.551 -2.372 3.059 610 HG23 ILE 77 3HG2 ILE 77 -1.790 -2.393 2.985 611 HD11 ILE 77 3HD1 ILE 77 -3.833 -2.844 -0.047 612 HD12 ILE 77 1HD1 ILE 77 -3.766 -4.259 -1.097 613 HD13 ILE 77 2HD1 ILE 77 -4.747 -4.293 0.369 614 H LEU 78 H LEU 78 -3.272 -5.001 4.818 615 HA LEU 78 HA LEU 78 -2.585 -2.923 6.495 616 HB2 LEU 78 1HB LEU 78 -3.856 -5.586 7.040 617 HB3 LEU 78 2HB LEU 78 -3.614 -4.398 8.319 618 HG LEU 78 HG LEU 78 -5.082 -3.591 5.850 619 HD11 LEU 78 1HD1 LEU 78 -6.960 -4.420 7.798 620 HD12 LEU 78 2HD1 LEU 78 -5.874 -5.775 7.488 621 HD13 LEU 78 3HD1 LEU 78 -6.746 -5.021 6.153 622 HD21 LEU 78 3HD2 LEU 78 -5.882 -1.895 7.141 623 HD22 LEU 78 1HD2 LEU 78 -4.353 -2.182 7.973 624 HD23 LEU 78 2HD2 LEU 78 -5.850 -2.855 8.622 625 H THR 79 H THR 79 -1.806 -6.334 7.189 626 HA THR 79 HA THR 79 -0.086 -6.026 9.267 627 HB THR 79 HB THR 79 0.287 -7.973 6.982 628 HG1 THR 79 1HG THR 79 -1.784 -7.971 8.164 629 HG21 THR 79 3HG2 THR 79 1.190 -9.289 9.126 630 HG22 THR 79 1HG2 THR 79 1.608 -7.648 9.616 631 HG23 THR 79 2HG2 THR 79 2.239 -8.305 8.106 632 H GLU 80 H GLU 80 0.972 -6.169 5.858 633 HA GLU 80 HA GLU 80 3.648 -5.578 6.273 634 HB2 GLU 80 1HB GLU 80 1.800 -5.112 3.951 635 HB3 GLU 80 2HB GLU 80 3.473 -4.573 3.887 636 HG2 GLU 80 1HG GLU 80 2.942 -7.383 4.677 637 HG3 GLU 80 2HG GLU 80 2.729 -6.935 2.985 638 H LEU 81 H LEU 81 0.910 -3.383 5.840 639 HA LEU 81 HA LEU 81 2.338 -0.982 5.689 640 HB2 LEU 81 1HB LEU 81 -0.220 -1.574 5.416 641 HB3 LEU 81 2HB LEU 81 -0.280 -1.067 7.102 642 HG LEU 81 HG LEU 81 0.826 1.100 6.295 643 HD11 LEU 81 1HD1 LEU 81 0.258 -0.279 3.736 644 HD12 LEU 81 2HD1 LEU 81 1.545 0.850 4.158 645 HD13 LEU 81 3HD1 LEU 81 -0.078 1.451 3.821 646 HD21 LEU 81 3HD2 LEU 81 -1.839 0.279 6.527 647 HD22 LEU 81 1HD2 LEU 81 -1.760 1.231 5.045 648 HD23 LEU 81 2HD2 LEU 81 -1.216 1.929 6.571 649 H GLU 82 H GLU 82 1.234 -2.854 8.462 650 HA GLU 82 HA GLU 82 1.715 -0.985 10.479 651 HB2 GLU 82 1HB GLU 82 0.509 -2.972 11.013 652 HB3 GLU 82 2HB GLU 82 1.835 -3.998 10.483 653 HG2 GLU 82 1HG GLU 82 2.026 -2.118 12.819 654 HG3 GLU 82 2HG GLU 82 1.541 -3.807 12.960 655 H ARG 83 H ARG 83 3.898 -3.110 8.751 656 HA ARG 83 HA ARG 83 6.125 -2.702 10.498 657 HB2 ARG 83 1HB ARG 83 6.153 -3.635 7.623 658 HB3 ARG 83 2HB ARG 83 7.424 -3.861 8.818 659 HG2 ARG 83 1HG ARG 83 5.514 -5.095 10.136 660 HG3 ARG 83 2HG ARG 83 4.826 -5.270 8.520 661 HD2 ARG 83 1HD ARG 83 6.107 -7.199 8.790 662 HD3 ARG 83 2HD ARG 83 7.144 -6.133 7.843 663 HE ARG 83 HE ARG 83 7.891 -5.611 10.387 664 HH11 ARG 83 2HH1 ARG 83 7.537 -8.553 8.559 665 HH12 ARG 83 1HH1 ARG 83 8.782 -9.393 9.423 666 HH21 ARG 83 1HH2 ARG 83 9.915 -8.342 11.114 667 HH22 ARG 83 2HH2 ARG 83 9.532 -6.706 11.532 668 H VAL 84 H VAL 84 5.709 -1.741 7.085 669 HA VAL 84 HA VAL 84 7.778 0.003 6.825 670 HB VAL 84 HB VAL 84 6.355 1.285 5.197 671 HG11 VAL 84 1HG1 VAL 84 5.836 -0.905 3.828 672 HG12 VAL 84 2HG1 VAL 84 7.496 -0.396 4.142 673 HG13 VAL 84 3HG1 VAL 84 6.760 -1.663 5.125 674 HG21 VAL 84 3HG2 VAL 84 4.252 -0.658 6.143 675 HG22 VAL 84 1HG2 VAL 84 4.208 1.100 6.268 676 HG23 VAL 84 2HG2 VAL 84 4.122 0.326 4.686 677 H ARG 85 H ARG 85 4.559 0.785 8.112 678 HA ARG 85 HA ARG 85 5.139 3.518 8.611 679 HB2 ARG 85 1HB ARG 85 3.009 3.663 9.470 680 HB3 ARG 85 2HB ARG 85 2.850 2.228 8.466 681 HG2 ARG 85 1HG ARG 85 3.313 0.858 10.513 682 HG3 ARG 85 2HG ARG 85 3.198 2.350 11.449 683 HD2 ARG 85 1HD ARG 85 0.994 1.621 9.575 684 HD3 ARG 85 2HD ARG 85 1.106 0.805 11.134 685 HE ARG 85 HE ARG 85 0.215 3.464 10.662 686 HH11 ARG 85 2HH1 ARG 85 1.911 1.464 12.950 687 HH12 ARG 85 1HH1 ARG 85 1.496 2.446 14.315 688 HH21 ARG 85 1HH2 ARG 85 0.215 4.324 14.030 689 HH22 ARG 85 2HH2 ARG 85 -0.339 4.766 12.451 690 H SER 86 H SER 86 5.213 0.609 10.628 691 HA SER 86 HA SER 86 6.403 2.184 12.803 692 HB2 SER 86 1HB SER 86 4.349 0.629 13.134 693 HB3 SER 86 2HB SER 86 5.528 -0.681 13.065 694 HG SER 86 HG SER 86 5.950 1.512 14.774 695 H GLY 87 H GLY 87 8.542 2.323 12.314 696 HA2 GLY 87 1HA GLY 87 9.976 -0.243 12.000 697 HA3 GLY 87 2HA GLY 87 10.451 1.217 11.144 698 HA PRO 88 HA PRO 88 12.292 0.812 15.582 699 HB2 PRO 88 2HB PRO 88 12.984 -1.379 15.601 700 HB3 PRO 88 1HB PRO 88 14.523 -0.662 15.111 701 HG2 PRO 88 1HG PRO 88 14.188 -1.159 12.869 702 HG3 PRO 88 2HG PRO 88 13.358 -2.535 13.618 703 HD2 PRO 88 1HD PRO 88 12.137 -0.883 11.854 704 HD3 PRO 88 2HD PRO 88 11.266 -1.671 13.185 705 H SER 89 H SER 89 13.839 2.249 16.234 706 HA SER 89 HA SER 89 14.936 3.996 14.248 707 HB2 SER 89 1HB SER 89 14.181 4.934 16.349 708 HB3 SER 89 2HB SER 89 15.289 3.902 17.253 709 HG SER 89 HG SER 89 15.817 6.273 16.534 710 H SER 90 H SER 90 16.483 3.037 13.020 711 HA SER 90 HA SER 90 18.596 1.475 14.230 712 HB2 SER 90 1HB SER 90 17.763 2.146 11.443 713 HB3 SER 90 2HB SER 90 19.434 1.652 11.715 714 HG SER 90 HG SER 90 17.400 0.076 11.428 715 H GLY 91 H GLY 91 20.863 1.965 13.957 716 HA2 GLY 91 1HA GLY 91 22.689 3.343 14.147 717 HA3 GLY 91 2HA GLY 91 21.853 4.429 13.046 Start of MODEL 3 1 H1 GLY 1 H GLY 1 6.998 17.870 -10.126 2 HA2 GLY 1 1HA GLY 1 8.927 18.646 -11.642 3 HA3 GLY 1 2HA GLY 1 8.838 19.389 -10.051 4 H SER 2 H SER 2 10.690 19.428 -8.985 5 HA SER 2 HA SER 2 13.083 18.415 -9.791 6 HB2 SER 2 1HB SER 2 13.820 18.597 -7.407 7 HB3 SER 2 2HB SER 2 12.955 20.021 -7.986 8 HG SER 2 HG SER 2 11.299 19.558 -6.712 9 H SER 3 H SER 3 14.277 16.567 -9.500 10 HA SER 3 HA SER 3 13.312 14.384 -7.889 11 HB2 SER 3 1HB SER 3 13.367 14.084 -10.902 12 HB3 SER 3 2HB SER 3 13.077 12.784 -9.746 13 HG SER 3 HG SER 3 11.413 14.874 -10.540 14 H GLY 4 H GLY 4 14.813 12.588 -7.817 15 HA2 GLY 4 1HA GLY 4 17.426 13.065 -9.054 16 HA3 GLY 4 2HA GLY 4 17.351 13.005 -7.299 17 H SER 5 H SER 5 17.181 11.057 -6.268 18 HA SER 5 HA SER 5 18.235 8.795 -7.391 19 HB2 SER 5 1HB SER 5 16.191 8.862 -5.158 20 HB3 SER 5 2HB SER 5 17.323 7.551 -5.489 21 HG SER 5 HG SER 5 17.885 9.217 -3.820 22 H SER 6 H SER 6 17.287 6.720 -7.937 23 HA SER 6 HA SER 6 14.923 7.067 -9.602 24 HB2 SER 6 1HB SER 6 16.742 4.660 -9.343 25 HB3 SER 6 2HB SER 6 15.527 4.929 -10.593 26 HG SER 6 HG SER 6 17.749 5.462 -11.177 27 H GLY 7 H GLY 7 16.049 5.000 -6.945 28 HA2 GLY 7 1HA GLY 7 14.181 4.710 -5.234 29 HA3 GLY 7 2HA GLY 7 13.273 4.066 -6.594 30 H GLU 8 H GLU 8 15.365 3.339 -4.051 31 HA GLU 8 HA GLU 8 15.957 0.690 -5.196 32 HB2 GLU 8 1HB GLU 8 17.412 2.352 -3.151 33 HB3 GLU 8 2HB GLU 8 17.697 0.625 -3.307 34 HG2 GLU 8 1HG GLU 8 19.345 1.401 -4.657 35 HG3 GLU 8 2HG GLU 8 18.046 1.260 -5.840 36 H HIS 9 H HIS 9 14.283 -0.568 -4.586 37 HA HIS 9 HA HIS 9 12.557 -0.489 -2.558 38 HB2 HIS 9 1HB HIS 9 12.639 -3.023 -2.486 39 HB3 HIS 9 2HB HIS 9 12.408 -2.310 -4.079 40 HD1 HIS 9 1HD HIS 9 14.037 -2.970 -5.853 41 HD2 HIS 9 2HD HIS 9 15.363 -3.961 -2.043 42 HE1 HIS 9 1HE HIS 9 16.121 -4.335 -6.200 43 HE2 HIS 9 2HE HIS 9 16.857 -4.994 -3.883 44 H GLY 10 H GLY 10 12.716 -0.158 -0.446 45 HA2 GLY 10 1HA GLY 10 13.650 -1.532 1.559 46 HA3 GLY 10 2HA GLY 10 15.186 -0.952 0.931 47 H LEU 11 H LEU 11 14.472 1.642 0.207 48 HA LEU 11 HA LEU 11 14.675 2.962 2.702 49 HB2 LEU 11 1HB LEU 11 14.869 4.940 1.494 50 HB3 LEU 11 2HB LEU 11 15.539 3.712 0.421 51 HG LEU 11 HG LEU 11 14.248 5.192 -0.912 52 HD11 LEU 11 1HD1 LEU 11 12.537 2.765 -0.407 53 HD12 LEU 11 2HD1 LEU 11 14.015 2.765 -1.368 54 HD13 LEU 11 3HD1 LEU 11 12.626 3.719 -1.888 55 HD21 LEU 11 3HD2 LEU 11 12.828 5.764 1.297 56 HD22 LEU 11 1HD2 LEU 11 11.684 4.712 0.463 57 HD23 LEU 11 2HD2 LEU 11 12.292 6.161 -0.337 58 H LEU 12 H LEU 12 12.020 1.695 1.112 59 HA LEU 12 HA LEU 12 9.980 3.522 1.450 60 HB2 LEU 12 1HB LEU 12 9.924 0.531 1.810 61 HB3 LEU 12 2HB LEU 12 8.486 1.545 1.702 62 HG LEU 12 HG LEU 12 10.543 1.212 -0.481 63 HD11 LEU 12 1HD1 LEU 12 7.885 -0.091 0.013 64 HD12 LEU 12 2HD1 LEU 12 9.437 -0.848 -0.341 65 HD13 LEU 12 3HD1 LEU 12 8.580 0.037 -1.603 66 HD21 LEU 12 3HD2 LEU 12 7.860 2.592 -0.450 67 HD22 LEU 12 1HD2 LEU 12 8.879 2.356 -1.870 68 HD23 LEU 12 2HD2 LEU 12 9.437 3.378 -0.546 69 H VAL 13 H VAL 13 10.944 0.998 3.782 70 HA VAL 13 HA VAL 13 9.254 1.728 5.857 71 HB VAL 13 HB VAL 13 10.847 0.616 7.375 72 HG11 VAL 13 1HG1 VAL 13 9.778 -1.192 6.650 73 HG12 VAL 13 2HG1 VAL 13 9.636 -0.520 5.024 74 HG13 VAL 13 3HG1 VAL 13 11.077 -1.428 5.482 75 HG21 VAL 13 3HG2 VAL 13 12.657 1.019 5.066 76 HG22 VAL 13 1HG2 VAL 13 13.000 1.043 6.796 77 HG23 VAL 13 2HG2 VAL 13 12.817 -0.496 5.954 78 H HIS 14 H HIS 14 12.491 2.923 5.072 79 HA HIS 14 HA HIS 14 12.866 4.521 7.348 80 HB2 HIS 14 1HB HIS 14 14.552 3.855 5.506 81 HB3 HIS 14 2HB HIS 14 13.939 5.258 4.635 82 HD1 HIS 14 1HD HIS 14 15.774 6.921 4.836 83 HD2 HIS 14 2HD HIS 14 14.910 5.101 8.469 84 HE1 HIS 14 1HE HIS 14 17.180 8.122 6.540 85 HE2 HIS 14 2HE HIS 14 16.705 6.947 8.717 86 H LYS 15 H LYS 15 11.947 5.595 4.069 87 HA LYS 15 HA LYS 15 11.160 8.182 4.941 88 HB2 LYS 15 1HB LYS 15 11.865 7.906 2.669 89 HB3 LYS 15 2HB LYS 15 10.658 6.659 2.384 90 HG2 LYS 15 1HG LYS 15 8.980 8.575 2.993 91 HG3 LYS 15 2HG LYS 15 10.335 9.613 2.542 92 HD2 LYS 15 1HD LYS 15 10.409 8.024 0.439 93 HD3 LYS 15 2HD LYS 15 8.718 7.752 0.867 94 HE2 LYS 15 1HE LYS 15 8.466 9.549 -0.513 95 HE3 LYS 15 2HE LYS 15 8.713 10.395 1.014 96 HZ1 LYS 15 3HZ LYS 15 10.208 11.471 -0.299 97 HZ2 LYS 15 1HZ LYS 15 10.518 10.124 -1.275 98 HZ3 LYS 15 2HZ LYS 15 11.206 10.227 0.267 99 H ALA 16 H ALA 16 9.371 8.737 5.980 100 HA ALA 16 HA ALA 16 7.377 7.143 6.879 101 HB1 ALA 16 3HB ALA 16 7.544 9.378 7.677 102 HB2 ALA 16 1HB ALA 16 7.207 10.040 6.078 103 HB3 ALA 16 2HB ALA 16 5.939 9.196 6.969 104 H VAL 17 H VAL 17 5.500 6.270 6.159 105 HA VAL 17 HA VAL 17 5.138 5.933 3.362 106 HB VAL 17 HB VAL 17 3.341 5.217 5.680 107 HG11 VAL 17 1HG1 VAL 17 2.399 3.608 3.865 108 HG12 VAL 17 2HG1 VAL 17 1.832 5.278 3.932 109 HG13 VAL 17 3HG1 VAL 17 3.039 4.803 2.736 110 HG21 VAL 17 3HG2 VAL 17 5.748 4.129 4.922 111 HG22 VAL 17 1HG2 VAL 17 4.503 3.316 5.871 112 HG23 VAL 17 2HG2 VAL 17 4.575 3.081 4.125 113 H ASP 18 H ASP 18 3.849 8.140 5.711 114 HA ASP 18 HA ASP 18 1.567 8.959 4.214 115 HB2 ASP 18 1HB ASP 18 1.192 10.512 5.899 116 HB3 ASP 18 2HB ASP 18 2.109 9.272 6.750 117 H LYS 19 H LYS 19 4.716 9.238 3.461 118 HA LYS 19 HA LYS 19 4.365 11.852 2.146 119 HB2 LYS 19 1HB LYS 19 6.714 10.535 3.407 120 HB3 LYS 19 2HB LYS 19 7.012 11.509 1.974 121 HG2 LYS 19 1HG LYS 19 7.339 12.929 3.824 122 HG3 LYS 19 2HG LYS 19 5.780 13.379 3.128 123 HD2 LYS 19 1HD LYS 19 4.583 12.439 4.876 124 HD3 LYS 19 2HD LYS 19 5.909 11.370 5.342 125 HE2 LYS 19 1HE LYS 19 5.773 13.048 7.009 126 HE3 LYS 19 2HE LYS 19 7.183 13.432 6.023 127 HZ1 LYS 19 3HZ LYS 19 5.885 15.081 4.848 128 HZ2 LYS 19 1HZ LYS 19 5.846 15.395 6.510 129 HZ3 LYS 19 2HZ LYS 19 4.508 14.694 5.750 130 H TRP 20 H TRP 20 4.311 8.607 1.582 131 HA TRP 20 HA TRP 20 5.807 8.348 -0.799 132 HB2 TRP 20 1HB TRP 20 3.408 6.796 0.194 133 HB3 TRP 20 2HB TRP 20 4.394 6.327 -1.189 134 HD1 TRP 20 HD TRP 20 6.698 7.675 1.298 135 HE1 TRP 20 1HE TRP 20 7.808 5.793 2.659 136 HE3 TRP 20 3HE TRP 20 3.623 3.806 -0.010 137 HZ2 TRP 20 2HZ TRP 20 7.430 3.033 3.116 138 HZ3 TRP 20 3HZ TRP 20 4.066 1.577 0.933 139 HH2 TRP 20 HH TRP 20 5.931 1.200 2.463 140 H THR 21 H THR 21 4.785 7.850 -2.951 141 HA THR 21 HA THR 21 2.584 9.739 -3.486 142 HB THR 21 HB THR 21 3.609 9.891 -5.823 143 HG1 THR 21 1HG THR 21 5.071 8.120 -5.564 144 HG21 THR 21 3HG2 THR 21 5.120 11.657 -5.178 145 HG22 THR 21 1HG2 THR 21 5.259 10.998 -3.549 146 HG23 THR 21 2HG2 THR 21 3.727 11.679 -4.097 147 H THR 22 H THR 22 1.352 9.238 -5.493 148 HA THR 22 HA THR 22 0.057 6.851 -5.415 149 HB THR 22 HB THR 22 0.547 8.122 -8.092 150 HG1 THR 22 1HG THR 22 0.159 9.896 -6.820 151 HG21 THR 22 3HG2 THR 22 -1.001 6.071 -7.516 152 HG22 THR 22 1HG2 THR 22 -1.530 7.308 -8.655 153 HG23 THR 22 2HG2 THR 22 -2.112 7.335 -6.990 154 H GLU 23 H GLU 23 3.174 7.478 -6.801 155 HA GLU 23 HA GLU 23 3.274 5.041 -8.333 156 HB2 GLU 23 1HB GLU 23 4.578 7.315 -8.655 157 HB3 GLU 23 2HB GLU 23 5.733 6.556 -7.569 158 HG2 GLU 23 1HG GLU 23 5.593 4.560 -9.210 159 HG3 GLU 23 2HG GLU 23 4.923 5.749 -10.326 160 H GLU 24 H GLU 24 5.154 6.222 -5.536 161 HA GLU 24 HA GLU 24 6.409 3.835 -4.904 162 HB2 GLU 24 1HB GLU 24 5.548 6.122 -3.133 163 HB3 GLU 24 2HB GLU 24 6.530 4.783 -2.556 164 HG2 GLU 24 1HG GLU 24 7.234 6.982 -4.430 165 HG3 GLU 24 2HG GLU 24 8.129 6.344 -3.052 166 H VAL 25 H VAL 25 3.262 5.054 -3.836 167 HA VAL 25 HA VAL 25 2.582 3.197 -1.930 168 HB VAL 25 HB VAL 25 0.820 4.474 -4.021 169 HG11 VAL 25 1HG1 VAL 25 -0.203 2.405 -3.178 170 HG12 VAL 25 2HG1 VAL 25 -0.022 3.001 -1.527 171 HG13 VAL 25 3HG1 VAL 25 -1.085 3.840 -2.657 172 HG21 VAL 25 3HG2 VAL 25 2.088 5.464 -1.696 173 HG22 VAL 25 1HG2 VAL 25 0.931 6.285 -2.743 174 HG23 VAL 25 2HG2 VAL 25 0.361 5.364 -1.351 175 H VAL 26 H VAL 26 2.083 2.918 -5.444 176 HA VAL 26 HA VAL 26 0.989 0.302 -5.333 177 HB VAL 26 HB VAL 26 2.265 1.799 -7.624 178 HG11 VAL 26 1HG1 VAL 26 2.406 -0.590 -8.031 179 HG12 VAL 26 2HG1 VAL 26 0.692 -0.775 -7.656 180 HG13 VAL 26 3HG1 VAL 26 1.191 0.138 -9.081 181 HG21 VAL 26 3HG2 VAL 26 0.036 2.525 -6.435 182 HG22 VAL 26 1HG2 VAL 26 0.174 2.551 -8.193 183 HG23 VAL 26 2HG2 VAL 26 -0.648 1.211 -7.393 184 H LEU 27 H LEU 27 4.249 1.562 -5.727 185 HA LEU 27 HA LEU 27 5.539 -0.777 -6.545 186 HB2 LEU 27 1HB LEU 27 6.353 1.738 -5.208 187 HB3 LEU 27 2HB LEU 27 7.474 0.382 -5.115 188 HG LEU 27 HG LEU 27 6.441 1.665 -7.643 189 HD11 LEU 27 1HD1 LEU 27 8.017 3.170 -7.093 190 HD12 LEU 27 2HD1 LEU 27 9.126 1.934 -7.685 191 HD13 LEU 27 3HD1 LEU 27 8.813 2.082 -5.956 192 HD21 LEU 27 3HD2 LEU 27 8.169 -0.730 -7.132 193 HD22 LEU 27 1HD2 LEU 27 8.321 0.208 -8.618 194 HD23 LEU 27 2HD2 LEU 27 6.788 -0.566 -8.216 195 H TRP 28 H TRP 28 5.151 0.528 -3.251 196 HA TRP 28 HA TRP 28 6.393 -1.543 -1.873 197 HB2 TRP 28 1HB TRP 28 5.914 0.375 -0.612 198 HB3 TRP 28 2HB TRP 28 4.228 0.401 -1.120 199 HD1 TRP 28 HD TRP 28 6.586 -1.467 1.281 200 HE1 TRP 28 1HE TRP 28 5.163 -2.553 3.130 201 HE3 TRP 28 3HE TRP 28 1.932 -0.414 -0.554 202 HZ2 TRP 28 2HZ TRP 28 2.429 -2.916 3.731 203 HZ3 TRP 28 3HZ TRP 28 -0.035 -1.167 0.719 204 HH2 TRP 28 HH TRP 28 0.210 -2.392 2.816 205 H LEU 29 H LEU 29 3.030 -1.223 -2.924 206 HA LEU 29 HA LEU 29 2.185 -3.668 -1.704 207 HB2 LEU 29 1HB LEU 29 0.539 -1.999 -2.048 208 HB3 LEU 29 2HB LEU 29 0.953 -1.847 -3.754 209 HG LEU 29 HG LEU 29 0.135 -4.322 -3.886 210 HD11 LEU 29 1HD1 LEU 29 -0.136 -4.754 -1.549 211 HD12 LEU 29 2HD1 LEU 29 -1.734 -4.725 -2.293 212 HD13 LEU 29 3HD1 LEU 29 -1.173 -3.341 -1.356 213 HD21 LEU 29 3HD2 LEU 29 -0.974 -1.879 -4.472 214 HD22 LEU 29 1HD2 LEU 29 -2.220 -2.651 -3.491 215 HD23 LEU 29 2HD2 LEU 29 -1.625 -3.449 -4.947 216 H GLU 30 H GLU 30 3.609 -2.784 -4.737 217 HA GLU 30 HA GLU 30 2.874 -5.212 -6.096 218 HB2 GLU 30 1HB GLU 30 4.571 -2.838 -6.735 219 HB3 GLU 30 2HB GLU 30 4.790 -4.309 -7.672 220 HG2 GLU 30 1HG GLU 30 2.221 -4.205 -7.972 221 HG3 GLU 30 2HG GLU 30 2.409 -2.518 -7.499 222 H GLN 31 H GLN 31 4.650 -4.966 -3.522 223 HA GLN 31 HA GLN 31 6.764 -6.786 -4.468 224 HB2 GLN 31 1HB GLN 31 6.772 -4.718 -2.287 225 HB3 GLN 31 2HB GLN 31 7.927 -6.043 -2.289 226 HG2 GLN 31 1HG GLN 31 8.725 -5.334 -4.493 227 HG3 GLN 31 2HG GLN 31 7.583 -3.991 -4.464 228 HE21 GLN 31 2HE2 GLN 31 9.415 -2.077 -2.131 229 HE22 GLN 31 1HE2 GLN 31 7.832 -2.418 -2.733 230 H LEU 32 H LEU 32 4.141 -6.295 -2.277 231 HA LEU 32 HA LEU 32 4.745 -8.327 -0.406 232 HB2 LEU 32 1HB LEU 32 1.947 -7.555 -1.131 233 HB3 LEU 32 2HB LEU 32 2.602 -8.008 0.441 234 HG LEU 32 HG LEU 32 2.984 -5.389 -1.003 235 HD11 LEU 32 1HD1 LEU 32 0.829 -6.052 0.339 236 HD12 LEU 32 2HD1 LEU 32 1.551 -4.453 0.517 237 HD13 LEU 32 3HD1 LEU 32 1.850 -5.695 1.732 238 HD21 LEU 32 3HD2 LEU 32 3.928 -5.486 1.726 239 HD22 LEU 32 1HD2 LEU 32 4.748 -4.924 0.269 240 HD23 LEU 32 2HD2 LEU 32 4.794 -6.633 0.703 241 H GLY 33 H GLY 33 3.395 -8.371 -3.599 242 HA2 GLY 33 1HA GLY 33 3.730 -11.117 -3.960 243 HA3 GLY 33 2HA GLY 33 2.060 -10.861 -3.477 244 HA PRO 34 HA PRO 34 2.781 -10.157 -8.126 245 HB2 PRO 34 2HB PRO 34 3.357 -12.313 -8.675 246 HB3 PRO 34 1HB PRO 34 1.633 -12.439 -9.044 247 HG2 PRO 34 1HG PRO 34 1.144 -13.464 -7.019 248 HG3 PRO 34 2HG PRO 34 2.777 -14.096 -7.299 249 HD2 PRO 34 1HD PRO 34 2.097 -12.766 -5.041 250 HD3 PRO 34 2HD PRO 34 3.725 -12.686 -5.742 251 H TRP 35 H TRP 35 0.163 -11.263 -6.102 252 HA TRP 35 HA TRP 35 -1.959 -10.739 -7.908 253 HB2 TRP 35 1HB TRP 35 -3.344 -10.689 -5.760 254 HB3 TRP 35 2HB TRP 35 -2.462 -12.176 -6.102 255 HD1 TRP 35 HD TRP 35 -1.044 -13.084 -4.170 256 HE1 TRP 35 1HE TRP 35 -0.144 -12.145 -1.949 257 HE3 TRP 35 3HE TRP 35 -2.489 -8.209 -4.705 258 HZ2 TRP 35 2HZ TRP 35 -0.058 -9.666 -0.602 259 HZ3 TRP 35 3HZ TRP 35 -1.960 -6.618 -2.904 260 HH2 TRP 35 HH TRP 35 -0.770 -7.333 -0.896 261 H ALA 36 H ALA 36 0.097 -8.696 -6.152 262 HA ALA 36 HA ALA 36 -1.537 -6.543 -5.485 263 HB1 ALA 36 3HB ALA 36 1.343 -6.557 -6.375 264 HB2 ALA 36 1HB ALA 36 0.521 -5.170 -5.658 265 HB3 ALA 36 2HB ALA 36 0.739 -6.649 -4.720 266 H SER 37 H SER 37 -0.054 -7.410 -8.562 267 HA SER 37 HA SER 37 -0.595 -5.024 -9.944 268 HB2 SER 37 1HB SER 37 0.826 -7.159 -10.594 269 HB3 SER 37 2HB SER 37 -0.674 -7.643 -11.385 270 HG SER 37 HG SER 37 -0.222 -6.287 -12.910 271 H LEU 38 H LEU 38 -2.695 -7.379 -8.752 272 HA LEU 38 HA LEU 38 -4.752 -7.021 -10.756 273 HB2 LEU 38 1HB LEU 38 -4.852 -8.410 -8.082 274 HB3 LEU 38 2HB LEU 38 -6.096 -8.481 -9.329 275 HG LEU 38 HG LEU 38 -3.317 -9.428 -9.917 276 HD11 LEU 38 1HD1 LEU 38 -3.951 -11.670 -9.205 277 HD12 LEU 38 2HD1 LEU 38 -5.483 -11.051 -8.588 278 HD13 LEU 38 3HD1 LEU 38 -3.966 -10.546 -7.845 279 HD21 LEU 38 3HD2 LEU 38 -6.016 -9.640 -11.100 280 HD22 LEU 38 1HD2 LEU 38 -4.997 -11.076 -11.197 281 HD23 LEU 38 2HD2 LEU 38 -4.435 -9.549 -11.879 282 H TYR 39 H TYR 39 -3.693 -5.361 -8.024 283 HA TYR 39 HA TYR 39 -6.299 -4.007 -7.761 284 HB2 TYR 39 1HB TYR 39 -4.146 -4.250 -5.651 285 HB3 TYR 39 2HB TYR 39 -5.717 -3.481 -5.455 286 HD1 TYR 39 2HD TYR 39 -7.738 -4.818 -5.232 287 HD2 TYR 39 1HD TYR 39 -3.933 -6.668 -5.679 288 HE1 TYR 39 2HE TYR 39 -8.700 -6.959 -4.497 289 HE2 TYR 39 1HE TYR 39 -4.885 -8.815 -4.947 290 HH TYR 39 HH TYR 39 -7.372 -9.262 -3.310 291 H ARG 40 H ARG 40 -2.827 -3.655 -8.049 292 HA ARG 40 HA ARG 40 -2.244 -1.097 -7.553 293 HB2 ARG 40 1HB ARG 40 -0.576 -1.159 -9.222 294 HB3 ARG 40 2HB ARG 40 -0.798 -2.832 -8.728 295 HG2 ARG 40 1HG ARG 40 -2.249 -3.182 -10.697 296 HG3 ARG 40 2HG ARG 40 -1.900 -1.529 -11.207 297 HD2 ARG 40 1HD ARG 40 0.379 -3.352 -10.621 298 HD3 ARG 40 2HD ARG 40 -0.514 -3.577 -12.124 299 HE ARG 40 HE ARG 40 1.225 -1.370 -11.441 300 HH11 ARG 40 2HH1 ARG 40 -1.282 -2.561 -13.542 301 HH12 ARG 40 1HH1 ARG 40 -0.927 -1.441 -14.815 302 HH21 ARG 40 1HH2 ARG 40 0.772 0.076 -14.569 303 HH22 ARG 40 2HH2 ARG 40 1.703 0.109 -13.110 304 H ASP 41 H ASP 41 -3.834 -2.140 -10.565 305 HA ASP 41 HA ASP 41 -4.148 0.257 -11.837 306 HB2 ASP 41 1HB ASP 41 -5.901 -2.174 -11.692 307 HB3 ASP 41 2HB ASP 41 -6.425 -0.762 -12.605 308 H ARG 42 H ARG 42 -6.204 -1.068 -9.272 309 HA ARG 42 HA ARG 42 -8.076 1.055 -9.270 310 HB2 ARG 42 1HB ARG 42 -7.373 -0.739 -6.944 311 HB3 ARG 42 2HB ARG 42 -8.879 0.133 -7.198 312 HG2 ARG 42 1HG ARG 42 -8.944 -1.307 -9.403 313 HG3 ARG 42 2HG ARG 42 -7.895 -2.367 -8.460 314 HD2 ARG 42 1HD ARG 42 -9.532 -2.834 -6.913 315 HD3 ARG 42 2HD ARG 42 -10.394 -1.325 -7.214 316 HE ARG 42 HE ARG 42 -11.576 -2.369 -8.878 317 HH11 ARG 42 2HH1 ARG 42 -8.839 -4.334 -8.002 318 HH12 ARG 42 1HH1 ARG 42 -9.348 -5.695 -8.945 319 HH21 ARG 42 1HH2 ARG 42 -11.293 -5.591 -10.152 320 HH22 ARG 42 2HH2 ARG 42 -12.258 -4.154 -10.124 321 H PHE 43 H PHE 43 -5.014 0.539 -7.644 322 HA PHE 43 HA PHE 43 -5.228 2.608 -5.741 323 HB2 PHE 43 1HB PHE 43 -2.894 1.170 -6.981 324 HB3 PHE 43 2HB PHE 43 -2.648 2.494 -5.846 325 HD1 PHE 43 2HD PHE 43 -5.107 -0.307 -5.904 326 HD2 PHE 43 1HD PHE 43 -1.905 1.613 -3.858 327 HE1 PHE 43 2HE PHE 43 -5.372 -1.873 -4.025 328 HE2 PHE 43 1HE PHE 43 -2.166 0.048 -1.976 329 HZ PHE 43 HZ PHE 43 -3.902 -1.697 -2.058 330 H LEU 44 H LEU 44 -3.758 2.533 -8.975 331 HA LEU 44 HA LEU 44 -2.876 5.204 -8.989 332 HB2 LEU 44 1HB LEU 44 -3.606 3.341 -11.240 333 HB3 LEU 44 2HB LEU 44 -2.874 4.926 -11.481 334 HG LEU 44 HG LEU 44 -1.104 3.406 -11.667 335 HD11 LEU 44 1HD1 LEU 44 -0.677 5.332 -10.155 336 HD12 LEU 44 2HD1 LEU 44 0.344 3.932 -9.832 337 HD13 LEU 44 3HD1 LEU 44 -1.030 4.280 -8.784 338 HD21 LEU 44 3HD2 LEU 44 -0.709 1.539 -10.264 339 HD22 LEU 44 1HD2 LEU 44 -2.424 1.501 -10.673 340 HD23 LEU 44 2HD2 LEU 44 -1.909 2.078 -9.088 341 H SER 45 H SER 45 -5.766 3.753 -10.493 342 HA SER 45 HA SER 45 -6.915 6.074 -11.473 343 HB2 SER 45 1HB SER 45 -7.634 3.547 -11.663 344 HB3 SER 45 2HB SER 45 -8.674 3.953 -10.297 345 HG SER 45 HG SER 45 -8.621 5.544 -12.628 346 H GLU 46 H GLU 46 -7.161 4.649 -8.247 347 HA GLU 46 HA GLU 46 -8.923 6.759 -7.329 348 HB2 GLU 46 1HB GLU 46 -7.697 4.345 -6.012 349 HB3 GLU 46 2HB GLU 46 -8.562 5.564 -5.085 350 HG2 GLU 46 1HG GLU 46 -9.689 3.922 -7.342 351 HG3 GLU 46 2HG GLU 46 -9.999 3.685 -5.623 352 H ARG 47 H ARG 47 -5.879 6.923 -8.120 353 HA ARG 47 HA ARG 47 -3.982 7.981 -7.382 354 HB2 ARG 47 1HB ARG 47 -6.199 9.811 -6.463 355 HB3 ARG 47 2HB ARG 47 -4.499 10.259 -6.401 356 HG2 ARG 47 1HG ARG 47 -6.148 9.654 -8.840 357 HG3 ARG 47 2HG ARG 47 -5.426 11.196 -8.376 358 HD2 ARG 47 1HD ARG 47 -3.190 9.880 -8.471 359 HD3 ARG 47 2HD ARG 47 -4.109 8.729 -9.440 360 HE ARG 47 HE ARG 47 -3.986 10.191 -11.183 361 HH11 ARG 47 2HH1 ARG 47 -3.439 11.945 -8.226 362 HH12 ARG 47 1HH1 ARG 47 -3.070 13.437 -9.026 363 HH21 ARG 47 1HH2 ARG 47 -3.108 13.552 -11.314 364 HH22 ARG 47 2HH2 ARG 47 -3.503 12.149 -12.248 365 H VAL 48 H VAL 48 -4.840 5.933 -5.602 366 HA VAL 48 HA VAL 48 -4.911 6.729 -2.909 367 HB VAL 48 HB VAL 48 -3.865 4.135 -4.053 368 HG11 VAL 48 1HG1 VAL 48 -3.726 5.084 -1.443 369 HG12 VAL 48 2HG1 VAL 48 -5.114 3.994 -1.451 370 HG13 VAL 48 3HG1 VAL 48 -3.532 3.414 -1.974 371 HG21 VAL 48 3HG2 VAL 48 -6.221 4.807 -4.678 372 HG22 VAL 48 1HG2 VAL 48 -6.055 3.263 -3.842 373 HG23 VAL 48 2HG2 VAL 48 -6.617 4.685 -2.964 374 H ASN 49 H ASN 49 -3.347 8.253 -2.441 375 HA ASN 49 HA ASN 49 -0.550 7.630 -2.928 376 HB2 ASN 49 1HB ASN 49 -0.097 9.874 -2.103 377 HB3 ASN 49 2HB ASN 49 -1.398 9.930 -3.290 378 HD21 ASN 49 2HD2 ASN 49 -3.776 11.191 -1.107 379 HD22 ASN 49 1HD2 ASN 49 -3.403 10.586 -2.682 380 H GLY 50 H GLY 50 1.030 7.934 -1.128 381 HA2 GLY 50 1HA GLY 50 0.851 6.093 0.838 382 HA3 GLY 50 2HA GLY 50 1.772 7.576 1.036 383 H ARG 51 H ARG 51 0.181 9.538 1.490 384 HA ARG 51 HA ARG 51 -0.691 9.401 4.051 385 HB2 ARG 51 1HB ARG 51 -0.627 11.384 2.302 386 HB3 ARG 51 2HB ARG 51 -2.343 11.023 2.166 387 HG2 ARG 51 1HG ARG 51 -1.144 11.402 4.867 388 HG3 ARG 51 2HG ARG 51 -1.493 12.809 3.862 389 HD2 ARG 51 1HD ARG 51 -3.827 11.860 3.592 390 HD3 ARG 51 2HD ARG 51 -3.411 10.725 4.875 391 HE ARG 51 HE ARG 51 -4.132 13.453 5.189 392 HH11 ARG 51 2HH1 ARG 51 -2.076 10.964 6.492 393 HH12 ARG 51 1HH1 ARG 51 -2.022 11.657 8.079 394 HH21 ARG 51 1HH2 ARG 51 -3.156 13.597 8.523 395 HH22 ARG 51 2HH2 ARG 51 -4.069 14.375 7.274 396 H LEU 52 H LEU 52 -2.713 8.823 1.182 397 HA LEU 52 HA LEU 52 -5.063 8.205 2.633 398 HB2 LEU 52 1HB LEU 52 -4.958 8.885 0.235 399 HB3 LEU 52 2HB LEU 52 -4.318 7.286 -0.138 400 HG LEU 52 HG LEU 52 -6.381 6.242 0.466 401 HD11 LEU 52 1HD1 LEU 52 -6.949 7.595 2.398 402 HD12 LEU 52 2HD1 LEU 52 -8.306 7.526 1.274 403 HD13 LEU 52 3HD1 LEU 52 -7.301 8.973 1.354 404 HD21 LEU 52 3HD2 LEU 52 -7.992 7.596 -1.032 405 HD22 LEU 52 1HD2 LEU 52 -6.522 6.932 -1.745 406 HD23 LEU 52 2HD2 LEU 52 -6.598 8.640 -1.314 407 H LEU 53 H LEU 53 -2.406 6.254 1.395 408 HA LEU 53 HA LEU 53 -3.527 3.718 1.810 409 HB2 LEU 53 1HB LEU 53 -1.379 4.377 0.580 410 HB3 LEU 53 2HB LEU 53 -0.611 4.332 2.165 411 HG LEU 53 HG LEU 53 -1.318 1.942 2.355 412 HD11 LEU 53 1HD1 LEU 53 -3.100 1.649 0.910 413 HD12 LEU 53 2HD1 LEU 53 -1.769 0.900 0.029 414 HD13 LEU 53 3HD1 LEU 53 -2.312 2.521 -0.406 415 HD21 LEU 53 3HD2 LEU 53 0.251 1.548 0.065 416 HD22 LEU 53 1HD2 LEU 53 0.794 1.653 1.740 417 HD23 LEU 53 2HD2 LEU 53 0.749 3.102 0.735 418 H LEU 54 H LEU 54 -2.513 6.073 4.040 419 HA LEU 54 HA LEU 54 -2.019 4.168 6.184 420 HB2 LEU 54 1HB LEU 54 -1.883 7.159 5.978 421 HB3 LEU 54 2HB LEU 54 -1.784 6.332 7.531 422 HG LEU 54 HG LEU 54 0.132 5.957 5.230 423 HD11 LEU 54 1HD1 LEU 54 1.718 7.093 6.826 424 HD12 LEU 54 2HD1 LEU 54 0.302 7.571 7.761 425 HD13 LEU 54 3HD1 LEU 54 0.488 8.127 6.098 426 HD21 LEU 54 3HD2 LEU 54 1.415 4.989 7.359 427 HD22 LEU 54 1HD2 LEU 54 0.394 3.989 6.325 428 HD23 LEU 54 2HD2 LEU 54 -0.240 4.620 7.845 429 H THR 55 H THR 55 -4.275 6.836 5.500 430 HA THR 55 HA THR 55 -5.913 6.429 7.755 431 HB THR 55 HB THR 55 -6.301 8.497 6.835 432 HG1 THR 55 1HG THR 55 -8.326 7.280 5.317 433 HG21 THR 55 3HG2 THR 55 -5.097 8.392 4.817 434 HG22 THR 55 1HG2 THR 55 -6.747 8.778 4.332 435 HG23 THR 55 2HG2 THR 55 -6.140 7.131 4.161 436 H LEU 56 H LEU 56 -5.737 4.833 4.688 437 HA LEU 56 HA LEU 56 -8.322 3.768 4.518 438 HB2 LEU 56 1HB LEU 56 -5.651 2.886 3.493 439 HB3 LEU 56 2HB LEU 56 -7.079 1.882 3.256 440 HG LEU 56 HG LEU 56 -6.899 4.738 2.316 441 HD11 LEU 56 1HD1 LEU 56 -5.267 2.835 1.359 442 HD12 LEU 56 2HD1 LEU 56 -5.946 4.123 0.365 443 HD13 LEU 56 3HD1 LEU 56 -6.696 2.528 0.372 444 HD21 LEU 56 3HD2 LEU 56 -8.658 2.597 1.198 445 HD22 LEU 56 1HD2 LEU 56 -8.873 4.348 1.187 446 HD23 LEU 56 2HD2 LEU 56 -9.124 3.438 2.677 447 H THR 57 H THR 57 -9.325 2.082 5.458 448 HA THR 57 HA THR 57 -7.753 0.424 7.323 449 HB THR 57 HB THR 57 -9.832 0.256 8.715 450 HG1 THR 57 1HG THR 57 -11.512 1.654 8.301 451 HG21 THR 57 3HG2 THR 57 -9.620 2.543 9.692 452 HG22 THR 57 1HG2 THR 57 -8.609 2.988 8.317 453 HG23 THR 57 2HG2 THR 57 -8.074 1.733 9.435 454 H GLU 58 H GLU 58 -8.862 -1.671 7.862 455 HA GLU 58 HA GLU 58 -9.078 -3.376 5.814 456 HB2 GLU 58 1HB GLU 58 -9.205 -4.109 8.134 457 HB3 GLU 58 2HB GLU 58 -10.815 -3.420 8.287 458 HG2 GLU 58 1HG GLU 58 -11.298 -5.041 6.251 459 HG3 GLU 58 2HG GLU 58 -9.933 -5.911 6.949 460 H GLU 59 H GLU 59 -11.733 -1.362 7.005 461 HA GLU 59 HA GLU 59 -13.782 -2.373 5.408 462 HB2 GLU 59 1HB GLU 59 -13.275 0.194 6.816 463 HB3 GLU 59 2HB GLU 59 -14.536 0.190 5.591 464 HG2 GLU 59 1HG GLU 59 -15.238 -0.267 7.983 465 HG3 GLU 59 2HG GLU 59 -15.820 -1.380 6.747 466 H GLU 60 H GLU 60 -12.189 0.756 4.805 467 HA GLU 60 HA GLU 60 -12.998 1.299 2.306 468 HB2 GLU 60 1HB GLU 60 -10.202 1.599 3.405 469 HB3 GLU 60 2HB GLU 60 -10.727 2.316 1.888 470 HG2 GLU 60 1HG GLU 60 -12.314 2.867 4.338 471 HG3 GLU 60 2HG GLU 60 -10.759 3.673 4.137 472 H PHE 61 H PHE 61 -10.364 -0.938 3.105 473 HA PHE 61 HA PHE 61 -9.634 -1.577 0.470 474 HB2 PHE 61 1HB PHE 61 -9.362 -3.064 3.077 475 HB3 PHE 61 2HB PHE 61 -8.757 -3.724 1.561 476 HD1 PHE 61 1HD PHE 61 -7.642 -1.401 0.226 477 HD2 PHE 61 2HD PHE 61 -7.517 -2.496 4.337 478 HE1 PHE 61 1HE PHE 61 -5.558 -0.122 0.499 479 HE2 PHE 61 2HE PHE 61 -5.434 -1.218 4.617 480 HZ PHE 61 HZ PHE 61 -4.452 -0.028 2.697 481 H SER 62 H SER 62 -12.000 -3.025 2.662 482 HA SER 62 HA SER 62 -12.733 -5.079 0.781 483 HB2 SER 62 1HB SER 62 -14.029 -5.964 2.466 484 HB3 SER 62 2HB SER 62 -12.890 -5.028 3.433 485 HG SER 62 HG SER 62 -15.251 -4.772 3.849 486 H ARG 63 H ARG 63 -13.397 -1.827 1.027 487 HA ARG 63 HA ARG 63 -16.087 -2.050 -0.107 488 HB2 ARG 63 1HB ARG 63 -14.536 0.380 0.806 489 HB3 ARG 63 2HB ARG 63 -16.188 0.399 0.204 490 HG2 ARG 63 1HG ARG 63 -15.285 -1.100 2.653 491 HG3 ARG 63 2HG ARG 63 -16.023 0.503 2.668 492 HD2 ARG 63 1HD ARG 63 -17.288 -2.019 1.602 493 HD3 ARG 63 2HD ARG 63 -17.665 -1.247 3.141 494 HE ARG 63 HE ARG 63 -18.107 0.715 1.325 495 HH11 ARG 63 2HH1 ARG 63 -19.213 -2.571 1.638 496 HH12 ARG 63 1HH1 ARG 63 -20.732 -2.272 0.862 497 HH21 ARG 63 1HH2 ARG 63 -21.238 -0.171 0.101 498 HH22 ARG 63 2HH2 ARG 63 -20.104 1.122 0.301 499 H ALA 64 H ALA 64 -16.638 -1.140 -2.101 500 HA ALA 64 HA ALA 64 -14.769 -1.434 -4.165 501 HB1 ALA 64 3HB ALA 64 -17.555 -0.623 -3.922 502 HB2 ALA 64 1HB ALA 64 -16.712 0.187 -5.243 503 HB3 ALA 64 2HB ALA 64 -16.756 -1.575 -5.173 504 HA PRO 65 HA PRO 65 -15.050 -0.349 -6.418 505 HB2 PRO 65 2HB PRO 65 -14.214 1.200 -7.894 506 HB3 PRO 65 1HB PRO 65 -12.817 0.117 -7.889 507 HG2 PRO 65 1HG PRO 65 -11.638 1.438 -6.387 508 HG3 PRO 65 2HG PRO 65 -12.548 2.690 -7.252 509 HD2 PRO 65 1HD PRO 65 -12.653 2.408 -4.561 510 HD3 PRO 65 2HD PRO 65 -14.034 2.986 -5.516 511 H TYR 66 H TYR 66 -12.267 -0.261 -4.361 512 HA TYR 66 HA TYR 66 -10.819 -2.458 -5.269 513 HB2 TYR 66 1HB TYR 66 -11.103 -1.969 -2.330 514 HB3 TYR 66 2HB TYR 66 -9.664 -2.367 -3.262 515 HD1 TYR 66 1HD TYR 66 -9.540 -0.358 -5.317 516 HD2 TYR 66 2HD TYR 66 -10.751 0.048 -1.259 517 HE1 TYR 66 1HE TYR 66 -8.914 2.020 -5.374 518 HE2 TYR 66 2HE TYR 66 -10.130 2.427 -1.305 519 HH TYR 66 HH TYR 66 -8.292 3.798 -3.819 520 H THR 67 H THR 67 -13.547 -2.319 -3.012 521 HA THR 67 HA THR 67 -14.656 -4.038 -1.921 522 HB THR 67 HB THR 67 -15.813 -3.679 -4.101 523 HG1 THR 67 1HG THR 67 -16.673 -5.149 -2.563 524 HG21 THR 67 3HG2 THR 67 -15.473 -5.121 -5.949 525 HG22 THR 67 1HG2 THR 67 -14.428 -6.192 -5.016 526 HG23 THR 67 2HG2 THR 67 -13.868 -4.580 -5.461 527 H ILE 68 H ILE 68 -11.883 -4.556 -1.842 528 HA ILE 68 HA ILE 68 -10.920 -6.934 -2.754 529 HB ILE 68 HB ILE 68 -10.563 -5.805 0.024 530 HG12 ILE 68 1HG1 ILE 68 -8.794 -5.590 -2.420 531 HG13 ILE 68 2HG1 ILE 68 -9.896 -4.330 -1.876 532 HG21 ILE 68 1HG2 ILE 68 -8.290 -7.176 -0.480 533 HG22 ILE 68 2HG2 ILE 68 -9.656 -7.824 0.426 534 HG23 ILE 68 3HG2 ILE 68 -9.476 -8.201 -1.287 535 HD11 ILE 68 3HD1 ILE 68 -8.195 -5.151 0.279 536 HD12 ILE 68 1HD1 ILE 68 -7.234 -4.709 -1.132 537 HD13 ILE 68 2HD1 ILE 68 -8.389 -3.560 -0.456 538 H GLU 69 H GLU 69 -12.283 -8.649 -2.946 539 HA GLU 69 HA GLU 69 -13.891 -9.525 -0.702 540 HB2 GLU 69 1HB GLU 69 -13.490 -10.835 -3.396 541 HB3 GLU 69 2HB GLU 69 -14.733 -11.232 -2.218 542 HG2 GLU 69 1HG GLU 69 -15.513 -8.823 -2.474 543 HG3 GLU 69 2HG GLU 69 -14.476 -8.764 -3.898 544 H ASN 70 H ASN 70 -10.741 -10.008 -1.782 545 HA ASN 70 HA ASN 70 -10.533 -12.677 -0.596 546 HB2 ASN 70 1HB ASN 70 -9.504 -12.243 -2.830 547 HB3 ASN 70 2HB ASN 70 -8.418 -11.088 -2.063 548 HD21 ASN 70 2HD2 ASN 70 -7.219 -14.765 -2.324 549 HD22 ASN 70 1HD2 ASN 70 -8.302 -13.919 -3.372 550 H SER 71 H SER 71 -10.761 -12.080 1.589 551 HA SER 71 HA SER 71 -9.643 -10.128 3.057 552 HB2 SER 71 1HB SER 71 -9.811 -13.062 3.769 553 HB3 SER 71 2HB SER 71 -9.412 -11.800 4.934 554 HG SER 71 HG SER 71 -11.822 -12.174 3.502 555 H SER 72 H SER 72 -7.952 -13.158 2.248 556 HA SER 72 HA SER 72 -5.569 -12.911 3.441 557 HB2 SER 72 1HB SER 72 -6.404 -14.542 1.535 558 HB3 SER 72 2HB SER 72 -5.459 -13.468 0.504 559 HG SER 72 HG SER 72 -3.731 -14.396 1.228 560 H HIS 73 H HIS 73 -6.515 -11.132 0.525 561 HA HIS 73 HA HIS 73 -4.094 -9.819 0.056 562 HB2 HIS 73 1HB HIS 73 -5.854 -9.802 -1.602 563 HB3 HIS 73 2HB HIS 73 -6.929 -8.933 -0.512 564 HD1 HIS 73 1HD HIS 73 -7.209 -6.905 -2.029 565 HD2 HIS 73 2HD HIS 73 -3.248 -7.720 -1.079 566 HE1 HIS 73 1HE HIS 73 -5.906 -4.898 -2.803 567 HE2 HIS 73 2HE HIS 73 -3.502 -5.451 -2.295 568 H ARG 74 H ARG 74 -6.950 -8.666 1.851 569 HA ARG 74 HA ARG 74 -5.921 -6.214 2.663 570 HB2 ARG 74 1HB ARG 74 -7.985 -8.059 3.824 571 HB3 ARG 74 2HB ARG 74 -7.528 -6.589 4.675 572 HG2 ARG 74 1HG ARG 74 -8.045 -5.385 2.473 573 HG3 ARG 74 2HG ARG 74 -8.870 -6.876 2.014 574 HD2 ARG 74 1HD ARG 74 -9.487 -5.681 4.666 575 HD3 ARG 74 2HD ARG 74 -10.138 -4.896 3.227 576 HE ARG 74 HE ARG 74 -11.557 -6.682 2.920 577 HH11 ARG 74 2HH1 ARG 74 -9.192 -7.454 5.356 578 HH12 ARG 74 1HH1 ARG 74 -9.996 -8.903 5.863 579 HH21 ARG 74 1HH2 ARG 74 -11.947 -9.547 4.850 580 HH22 ARG 74 2HH2 ARG 74 -12.624 -8.588 3.578 581 H ARG 75 H ARG 75 -5.607 -9.408 4.136 582 HA ARG 75 HA ARG 75 -4.421 -8.653 6.548 583 HB2 ARG 75 1HB ARG 75 -5.255 -10.937 5.997 584 HB3 ARG 75 2HB ARG 75 -3.854 -11.161 4.960 585 HG2 ARG 75 1HG ARG 75 -3.457 -10.417 7.819 586 HG3 ARG 75 2HG ARG 75 -3.853 -12.083 7.392 587 HD2 ARG 75 1HD ARG 75 -1.923 -11.768 5.649 588 HD3 ARG 75 2HD ARG 75 -1.425 -10.475 6.739 589 HE ARG 75 HE ARG 75 -0.643 -12.072 8.158 590 HH11 ARG 75 2HH1 ARG 75 -3.052 -13.516 6.102 591 HH12 ARG 75 1HH1 ARG 75 -2.821 -15.113 6.733 592 HH21 ARG 75 1HH2 ARG 75 -1.273 -15.483 8.381 593 HH22 ARG 75 2HH2 ARG 75 -0.330 -14.169 8.997 594 H VAL 76 H VAL 76 -2.991 -9.275 3.377 595 HA VAL 76 HA VAL 76 -0.289 -9.050 4.220 596 HB VAL 76 HB VAL 76 -1.467 -8.643 1.467 597 HG11 VAL 76 1HG1 VAL 76 1.207 -8.315 2.487 598 HG12 VAL 76 2HG1 VAL 76 1.149 -9.595 1.273 599 HG13 VAL 76 3HG1 VAL 76 0.570 -7.975 0.879 600 HG21 VAL 76 3HG2 VAL 76 -1.810 -10.884 2.657 601 HG22 VAL 76 1HG2 VAL 76 -1.089 -10.916 1.048 602 HG23 VAL 76 2HG2 VAL 76 -0.070 -11.103 2.475 603 H ILE 77 H ILE 77 -2.509 -6.770 2.629 604 HA ILE 77 HA ILE 77 -0.728 -4.615 2.453 605 HB ILE 77 HB ILE 77 -3.737 -4.632 2.670 606 HG12 ILE 77 1HG1 ILE 77 -1.927 -4.204 0.284 607 HG13 ILE 77 2HG1 ILE 77 -2.710 -5.730 0.677 608 HG21 ILE 77 1HG2 ILE 77 -3.050 -2.288 1.421 609 HG22 ILE 77 2HG2 ILE 77 -3.558 -2.447 3.102 610 HG23 ILE 77 3HG2 ILE 77 -1.842 -2.418 2.699 611 HD11 ILE 77 3HD1 ILE 77 -4.434 -3.338 0.431 612 HD12 ILE 77 1HD1 ILE 77 -3.738 -4.006 -1.045 613 HD13 ILE 77 2HD1 ILE 77 -4.747 -5.017 -0.011 614 H LEU 78 H LEU 78 -3.445 -4.892 4.750 615 HA LEU 78 HA LEU 78 -2.775 -2.837 6.435 616 HB2 LEU 78 1HB LEU 78 -4.138 -5.458 6.914 617 HB3 LEU 78 2HB LEU 78 -3.857 -4.340 8.247 618 HG LEU 78 HG LEU 78 -5.304 -3.451 5.776 619 HD11 LEU 78 1HD1 LEU 78 -6.237 -5.326 7.830 620 HD12 LEU 78 2HD1 LEU 78 -6.852 -5.015 6.207 621 HD13 LEU 78 3HD1 LEU 78 -7.302 -3.950 7.539 622 HD21 LEU 78 3HD2 LEU 78 -5.594 -1.564 6.914 623 HD22 LEU 78 1HD2 LEU 78 -4.455 -2.188 8.108 624 HD23 LEU 78 2HD2 LEU 78 -6.188 -2.435 8.329 625 H THR 79 H THR 79 -1.971 -6.259 7.061 626 HA THR 79 HA THR 79 -0.389 -6.018 9.253 627 HB THR 79 HB THR 79 0.071 -7.827 6.877 628 HG1 THR 79 1HG THR 79 -0.971 -9.338 8.322 629 HG21 THR 79 3HG2 THR 79 2.128 -7.909 7.971 630 HG22 THR 79 1HG2 THR 79 1.235 -9.239 8.708 631 HG23 THR 79 2HG2 THR 79 1.399 -7.705 9.564 632 H GLU 80 H GLU 80 1.016 -6.146 5.973 633 HA GLU 80 HA GLU 80 3.583 -5.410 6.594 634 HB2 GLU 80 1HB GLU 80 1.936 -4.822 4.138 635 HB3 GLU 80 2HB GLU 80 3.643 -4.415 4.246 636 HG2 GLU 80 1HG GLU 80 2.834 -7.197 4.878 637 HG3 GLU 80 2HG GLU 80 2.808 -6.683 3.193 638 H LEU 81 H LEU 81 0.840 -3.270 5.917 639 HA LEU 81 HA LEU 81 2.233 -0.840 6.030 640 HB2 LEU 81 1HB LEU 81 -0.578 -1.705 6.200 641 HB3 LEU 81 2HB LEU 81 -0.217 -0.142 6.931 642 HG LEU 81 HG LEU 81 0.644 -0.728 4.124 643 HD11 LEU 81 1HD1 LEU 81 -1.777 -1.292 4.352 644 HD12 LEU 81 2HD1 LEU 81 -1.438 0.047 3.255 645 HD13 LEU 81 3HD1 LEU 81 -2.058 0.369 4.874 646 HD21 LEU 81 3HD2 LEU 81 0.083 1.706 5.784 647 HD22 LEU 81 1HD2 LEU 81 0.115 1.782 4.022 648 HD23 LEU 81 2HD2 LEU 81 1.552 1.272 4.908 649 H GLU 82 H GLU 82 0.953 -2.908 8.539 650 HA GLU 82 HA GLU 82 1.068 -1.042 10.663 651 HB2 GLU 82 1HB GLU 82 -0.148 -3.286 10.612 652 HB3 GLU 82 2HB GLU 82 1.412 -4.023 10.947 653 HG2 GLU 82 1HG GLU 82 0.528 -3.844 13.051 654 HG3 GLU 82 2HG GLU 82 1.470 -2.358 12.942 655 H ARG 83 H ARG 83 3.476 -2.843 9.000 656 HA ARG 83 HA ARG 83 5.434 -2.555 11.137 657 HB2 ARG 83 1HB ARG 83 5.959 -3.613 8.366 658 HB3 ARG 83 2HB ARG 83 6.866 -3.925 9.840 659 HG2 ARG 83 1HG ARG 83 4.629 -4.987 10.655 660 HG3 ARG 83 2HG ARG 83 4.275 -5.080 8.929 661 HD2 ARG 83 1HD ARG 83 6.911 -6.052 9.928 662 HD3 ARG 83 2HD ARG 83 5.482 -7.055 10.167 663 HE ARG 83 HE ARG 83 5.317 -6.497 7.558 664 HH11 ARG 83 2HH1 ARG 83 7.983 -7.580 9.518 665 HH12 ARG 83 1HH1 ARG 83 8.751 -8.445 8.227 666 HH21 ARG 83 1HH2 ARG 83 7.803 -8.472 6.141 667 HH22 ARG 83 2HH2 ARG 83 6.318 -7.631 5.851 668 H VAL 84 H VAL 84 5.288 -1.691 7.675 669 HA VAL 84 HA VAL 84 7.476 -0.057 7.510 670 HB VAL 84 HB VAL 84 6.270 1.190 5.716 671 HG11 VAL 84 1HG1 VAL 84 5.923 -1.801 5.555 672 HG12 VAL 84 2HG1 VAL 84 6.109 -0.678 4.207 673 HG13 VAL 84 3HG1 VAL 84 7.452 -0.954 5.317 674 HG21 VAL 84 3HG2 VAL 84 4.053 1.363 6.003 675 HG22 VAL 84 1HG2 VAL 84 3.983 -0.243 5.278 676 HG23 VAL 84 2HG2 VAL 84 3.980 -0.066 7.033 677 H ARG 85 H ARG 85 4.271 0.761 8.741 678 HA ARG 85 HA ARG 85 4.845 3.538 9.093 679 HB2 ARG 85 1HB ARG 85 2.693 3.736 9.912 680 HB3 ARG 85 2HB ARG 85 2.546 2.306 8.899 681 HG2 ARG 85 1HG ARG 85 2.756 0.878 10.859 682 HG3 ARG 85 2HG ARG 85 2.943 2.303 11.884 683 HD2 ARG 85 1HD ARG 85 0.544 2.033 10.122 684 HD3 ARG 85 2HD ARG 85 0.613 1.157 11.651 685 HE ARG 85 HE ARG 85 0.066 3.904 11.320 686 HH11 ARG 85 2HH1 ARG 85 1.822 1.712 13.377 687 HH12 ARG 85 1HH1 ARG 85 1.719 2.734 14.773 688 HH21 ARG 85 1HH2 ARG 85 0.638 4.749 14.643 689 HH22 ARG 85 2HH2 ARG 85 -0.077 5.257 13.150 690 H SER 86 H SER 86 4.771 0.718 11.241 691 HA SER 86 HA SER 86 5.113 1.821 13.698 692 HB2 SER 86 1HB SER 86 5.124 -0.673 12.961 693 HB3 SER 86 2HB SER 86 6.875 -0.477 12.885 694 HG SER 86 HG SER 86 5.269 -0.765 15.047 695 H GLY 87 H GLY 87 6.900 2.407 15.009 696 HA2 GLY 87 1HA GLY 87 9.412 2.981 13.601 697 HA3 GLY 87 2HA GLY 87 8.567 4.307 14.387 698 HA PRO 88 HA PRO 88 10.180 1.247 17.808 699 HB2 PRO 88 2HB PRO 88 10.540 -0.843 16.922 700 HB3 PRO 88 1HB PRO 88 12.233 -0.345 17.018 701 HG2 PRO 88 1HG PRO 88 12.323 0.233 14.772 702 HG3 PRO 88 2HG PRO 88 11.169 -1.111 14.700 703 HD2 PRO 88 1HD PRO 88 10.599 1.353 13.732 704 HD3 PRO 88 2HD PRO 88 9.360 0.292 14.434 705 H SER 89 H SER 89 12.484 0.991 18.850 706 HA SER 89 HA SER 89 14.129 3.294 18.029 707 HB2 SER 89 1HB SER 89 12.848 3.831 20.058 708 HB3 SER 89 2HB SER 89 13.512 2.407 20.858 709 HG SER 89 HG SER 89 14.762 4.121 21.471 710 H SER 90 H SER 90 16.382 3.164 18.529 711 HA SER 90 HA SER 90 17.721 0.963 17.757 712 HB2 SER 90 1HB SER 90 18.475 3.130 19.688 713 HB3 SER 90 2HB SER 90 19.590 1.794 19.400 714 HG SER 90 HG SER 90 20.130 3.248 17.883 715 H GLY 91 H GLY 91 17.720 -1.079 18.406 716 HA2 GLY 91 1HA GLY 91 18.528 -2.094 20.793 717 HA3 GLY 91 2HA GLY 91 16.812 -1.809 21.042 Start of MODEL 4 1 H1 GLY 1 H GLY 1 14.941 15.881 -6.387 2 HA2 GLY 1 1HA GLY 1 17.123 14.366 -6.220 3 HA3 GLY 1 2HA GLY 1 16.400 14.054 -4.648 4 H SER 2 H SER 2 16.561 11.828 -5.736 5 HA SER 2 HA SER 2 14.152 11.330 -7.353 6 HB2 SER 2 1HB SER 2 16.832 10.005 -7.226 7 HB3 SER 2 2HB SER 2 15.429 9.043 -7.690 8 HG SER 2 HG SER 2 16.267 11.458 -8.927 9 H SER 3 H SER 3 16.090 9.970 -4.701 10 HA SER 3 HA SER 3 15.541 8.661 -2.922 11 HB2 SER 3 1HB SER 3 13.902 10.680 -2.707 12 HB3 SER 3 2HB SER 3 12.674 9.515 -3.199 13 HG SER 3 HG SER 3 12.703 9.309 -1.048 14 H GLY 4 H GLY 4 15.604 7.348 -5.361 15 HA2 GLY 4 1HA GLY 4 15.131 4.973 -5.554 16 HA3 GLY 4 2HA GLY 4 13.518 5.303 -4.939 17 H SER 5 H SER 5 15.640 5.538 -7.714 18 HA SER 5 HA SER 5 13.533 6.542 -9.430 19 HB2 SER 5 1HB SER 5 16.382 5.694 -9.987 20 HB3 SER 5 2HB SER 5 15.278 6.287 -11.228 21 HG SER 5 HG SER 5 15.076 8.107 -9.502 22 H SER 6 H SER 6 15.441 3.558 -9.126 23 HA SER 6 HA SER 6 13.306 2.156 -10.596 24 HB2 SER 6 1HB SER 6 16.296 1.839 -10.781 25 HB3 SER 6 2HB SER 6 15.203 0.541 -11.264 26 HG SER 6 HG SER 6 15.968 2.458 -12.774 27 H GLY 7 H GLY 7 12.246 1.533 -8.703 28 HA2 GLY 7 1HA GLY 7 11.748 0.020 -7.043 29 HA3 GLY 7 2HA GLY 7 13.174 -0.884 -7.530 30 H GLU 8 H GLU 8 15.098 -0.601 -6.439 31 HA GLU 8 HA GLU 8 16.467 -0.121 -4.687 32 HB2 GLU 8 1HB GLU 8 14.907 2.420 -4.960 33 HB3 GLU 8 2HB GLU 8 15.989 2.213 -3.590 34 HG2 GLU 8 1HG GLU 8 17.686 1.523 -5.493 35 HG3 GLU 8 2HG GLU 8 16.610 2.517 -6.473 36 H HIS 9 H HIS 9 13.926 -1.536 -4.285 37 HA HIS 9 HA HIS 9 12.426 -0.949 -2.122 38 HB2 HIS 9 1HB HIS 9 12.515 -3.456 -1.580 39 HB3 HIS 9 2HB HIS 9 11.974 -2.997 -3.192 40 HD1 HIS 9 1HD HIS 9 14.884 -4.545 -1.392 41 HD2 HIS 9 2HD HIS 9 13.588 -3.855 -5.279 42 HE1 HIS 9 1HE HIS 9 16.425 -5.882 -2.862 43 HE2 HIS 9 2HE HIS 9 15.676 -5.381 -5.213 44 H GLY 10 H GLY 10 13.051 -0.030 -0.274 45 HA2 GLY 10 1HA GLY 10 14.310 -1.291 1.789 46 HA3 GLY 10 2HA GLY 10 15.628 -0.544 0.897 47 H LEU 11 H LEU 11 14.637 1.848 0.138 48 HA LEU 11 HA LEU 11 14.727 3.331 2.568 49 HB2 LEU 11 1HB LEU 11 14.826 5.241 1.245 50 HB3 LEU 11 2HB LEU 11 15.610 4.001 0.268 51 HG LEU 11 HG LEU 11 14.295 5.218 -1.238 52 HD11 LEU 11 1HD1 LEU 11 12.876 2.718 -0.367 53 HD12 LEU 11 2HD1 LEU 11 14.003 2.931 -1.706 54 HD13 LEU 11 3HD1 LEU 11 12.391 3.640 -1.790 55 HD21 LEU 11 3HD2 LEU 11 11.774 4.923 0.316 56 HD22 LEU 11 1HD2 LEU 11 12.253 6.168 -0.838 57 HD23 LEU 11 2HD2 LEU 11 12.921 6.174 0.794 58 H LEU 12 H LEU 12 12.255 1.654 1.237 59 HA LEU 12 HA LEU 12 10.064 3.406 1.344 60 HB2 LEU 12 1HB LEU 12 10.408 0.450 1.507 61 HB3 LEU 12 2HB LEU 12 8.839 1.149 1.901 62 HG LEU 12 HG LEU 12 10.246 1.623 -0.720 63 HD11 LEU 12 1HD1 LEU 12 9.885 -0.617 -0.944 64 HD12 LEU 12 2HD1 LEU 12 8.304 -0.014 -1.439 65 HD13 LEU 12 3HD1 LEU 12 8.539 -0.630 0.197 66 HD21 LEU 12 3HD2 LEU 12 7.315 1.843 -0.115 67 HD22 LEU 12 1HD2 LEU 12 8.225 2.530 -1.461 68 HD23 LEU 12 2HD2 LEU 12 8.422 3.189 0.163 69 H VAL 13 H VAL 13 11.175 1.048 3.780 70 HA VAL 13 HA VAL 13 9.375 1.842 5.790 71 HB VAL 13 HB VAL 13 10.976 0.725 7.366 72 HG11 VAL 13 1HG1 VAL 13 10.753 -1.259 5.234 73 HG12 VAL 13 2HG1 VAL 13 10.034 -1.238 6.845 74 HG13 VAL 13 3HG1 VAL 13 9.265 -0.358 5.524 75 HG21 VAL 13 3HG2 VAL 13 12.552 0.174 4.853 76 HG22 VAL 13 1HG2 VAL 13 13.033 1.294 6.128 77 HG23 VAL 13 2HG2 VAL 13 12.905 -0.431 6.471 78 H HIS 14 H HIS 14 12.437 3.128 4.759 79 HA HIS 14 HA HIS 14 13.014 4.629 7.104 80 HB2 HIS 14 1HB HIS 14 13.986 4.729 4.261 81 HB3 HIS 14 2HB HIS 14 14.470 5.962 5.421 82 HD1 HIS 14 1HD HIS 14 15.630 4.908 7.685 83 HD2 HIS 14 2HD HIS 14 15.585 2.545 4.269 84 HE1 HIS 14 1HE HIS 14 17.392 3.153 8.059 85 HE2 HIS 14 2HE HIS 14 17.405 1.786 5.943 86 H LYS 15 H LYS 15 11.860 5.695 3.898 87 HA LYS 15 HA LYS 15 11.124 8.283 4.874 88 HB2 LYS 15 1HB LYS 15 11.799 8.097 2.582 89 HB3 LYS 15 2HB LYS 15 10.595 6.854 2.268 90 HG2 LYS 15 1HG LYS 15 8.928 8.754 2.996 91 HG3 LYS 15 2HG LYS 15 10.269 9.797 2.515 92 HD2 LYS 15 1HD LYS 15 10.315 8.507 0.337 93 HD3 LYS 15 2HD LYS 15 8.780 7.791 0.834 94 HE2 LYS 15 1HE LYS 15 7.679 9.869 0.789 95 HE3 LYS 15 2HE LYS 15 9.196 10.765 0.748 96 HZ1 LYS 15 3HZ LYS 15 7.781 10.401 -1.407 97 HZ2 LYS 15 1HZ LYS 15 8.609 8.926 -1.455 98 HZ3 LYS 15 2HZ LYS 15 9.472 10.380 -1.467 99 H ALA 16 H ALA 16 9.331 8.809 5.922 100 HA ALA 16 HA ALA 16 7.376 7.177 6.828 101 HB1 ALA 16 3HB ALA 16 7.695 9.577 7.432 102 HB2 ALA 16 1HB ALA 16 6.835 10.009 5.954 103 HB3 ALA 16 2HB ALA 16 6.010 9.100 7.221 104 H VAL 17 H VAL 17 5.513 6.264 6.124 105 HA VAL 17 HA VAL 17 5.134 5.862 3.355 106 HB VAL 17 HB VAL 17 3.343 5.275 5.710 107 HG11 VAL 17 1HG1 VAL 17 1.665 5.016 4.270 108 HG12 VAL 17 2HG1 VAL 17 2.729 5.255 2.883 109 HG13 VAL 17 3HG1 VAL 17 2.557 3.652 3.598 110 HG21 VAL 17 3HG2 VAL 17 4.601 3.180 4.026 111 HG22 VAL 17 1HG2 VAL 17 5.643 4.086 5.124 112 HG23 VAL 17 2HG2 VAL 17 4.262 3.190 5.757 113 H ASP 18 H ASP 18 3.708 8.084 5.660 114 HA ASP 18 HA ASP 18 1.555 8.938 4.015 115 HB2 ASP 18 1HB ASP 18 1.125 9.543 6.176 116 HB3 ASP 18 2HB ASP 18 2.821 9.852 6.540 117 H LYS 19 H LYS 19 4.769 9.228 3.510 118 HA LYS 19 HA LYS 19 4.526 11.851 2.193 119 HB2 LYS 19 1HB LYS 19 6.784 10.443 3.524 120 HB3 LYS 19 2HB LYS 19 7.167 11.444 2.130 121 HG2 LYS 19 1HG LYS 19 7.398 12.633 4.274 122 HG3 LYS 19 2HG LYS 19 6.219 13.381 3.194 123 HD2 LYS 19 1HD LYS 19 4.399 12.344 4.428 124 HD3 LYS 19 2HD LYS 19 5.556 11.517 5.474 125 HE2 LYS 19 1HE LYS 19 5.302 14.512 5.219 126 HE3 LYS 19 2HE LYS 19 4.560 13.549 6.496 127 HZ1 LYS 19 3HZ LYS 19 6.445 13.879 7.603 128 HZ2 LYS 19 1HZ LYS 19 7.264 14.451 6.237 129 HZ3 LYS 19 2HZ LYS 19 7.173 12.789 6.534 130 H TRP 20 H TRP 20 4.342 8.650 1.535 131 HA TRP 20 HA TRP 20 5.955 8.403 -0.787 132 HB2 TRP 20 1HB TRP 20 3.510 6.861 0.104 133 HB3 TRP 20 2HB TRP 20 4.523 6.411 -1.265 134 HD1 TRP 20 HD TRP 20 6.771 7.674 1.322 135 HE1 TRP 20 1HE TRP 20 7.827 5.745 2.659 136 HE3 TRP 20 3HE TRP 20 3.708 3.869 -0.185 137 HZ2 TRP 20 2HZ TRP 20 7.417 2.976 3.025 138 HZ3 TRP 20 3HZ TRP 20 4.108 1.610 0.705 139 HH2 TRP 20 HH TRP 20 5.925 1.175 2.276 140 H THR 21 H THR 21 4.797 7.767 -2.940 141 HA THR 21 HA THR 21 2.728 9.783 -3.522 142 HB THR 21 HB THR 21 3.770 9.927 -5.835 143 HG1 THR 21 1HG THR 21 5.205 7.977 -5.092 144 HG21 THR 21 3HG2 THR 21 5.501 10.891 -3.557 145 HG22 THR 21 1HG2 THR 21 4.007 11.671 -4.074 146 HG23 THR 21 2HG2 THR 21 5.385 11.590 -5.172 147 H THR 22 H THR 22 1.430 9.307 -5.453 148 HA THR 22 HA THR 22 0.086 6.966 -5.402 149 HB THR 22 HB THR 22 0.618 8.177 -8.094 150 HG1 THR 22 1HG THR 22 -1.195 9.668 -7.286 151 HG21 THR 22 3HG2 THR 22 -0.937 6.307 -7.955 152 HG22 THR 22 1HG2 THR 22 -1.799 7.791 -8.360 153 HG23 THR 22 2HG2 THR 22 -1.868 7.152 -6.718 154 H GLU 23 H GLU 23 3.222 7.488 -6.793 155 HA GLU 23 HA GLU 23 3.255 5.047 -8.314 156 HB2 GLU 23 1HB GLU 23 4.651 7.278 -8.601 157 HB3 GLU 23 2HB GLU 23 5.766 6.452 -7.521 158 HG2 GLU 23 1HG GLU 23 5.976 4.618 -9.066 159 HG3 GLU 23 2HG GLU 23 4.755 5.325 -10.121 160 H GLU 24 H GLU 24 5.228 6.138 -5.546 161 HA GLU 24 HA GLU 24 6.372 3.726 -4.887 162 HB2 GLU 24 1HB GLU 24 5.532 6.024 -3.125 163 HB3 GLU 24 2HB GLU 24 6.439 4.648 -2.515 164 HG2 GLU 24 1HG GLU 24 7.297 6.814 -4.366 165 HG3 GLU 24 2HG GLU 24 8.111 6.153 -2.949 166 H VAL 25 H VAL 25 3.280 5.031 -3.724 167 HA VAL 25 HA VAL 25 2.512 3.161 -1.903 168 HB VAL 25 HB VAL 25 0.748 4.380 -4.031 169 HG11 VAL 25 1HG1 VAL 25 -0.060 2.312 -2.671 170 HG12 VAL 25 2HG1 VAL 25 -0.219 3.475 -1.353 171 HG13 VAL 25 3HG1 VAL 25 -1.119 3.710 -2.851 172 HG21 VAL 25 3HG2 VAL 25 0.504 5.474 -1.373 173 HG22 VAL 25 1HG2 VAL 25 2.162 5.599 -1.960 174 HG23 VAL 25 2HG2 VAL 25 0.840 6.294 -2.898 175 H VAL 26 H VAL 26 2.111 2.900 -5.428 176 HA VAL 26 HA VAL 26 0.978 0.285 -5.325 177 HB VAL 26 HB VAL 26 2.247 1.768 -7.630 178 HG11 VAL 26 1HG1 VAL 26 2.321 -0.517 -8.208 179 HG12 VAL 26 2HG1 VAL 26 0.726 -0.823 -7.519 180 HG13 VAL 26 3HG1 VAL 26 0.881 0.126 -8.997 181 HG21 VAL 26 3HG2 VAL 26 0.001 2.472 -6.338 182 HG22 VAL 26 1HG2 VAL 26 0.237 2.707 -8.071 183 HG23 VAL 26 2HG2 VAL 26 -0.668 1.311 -7.485 184 H LEU 27 H LEU 27 4.229 1.558 -5.711 185 HA LEU 27 HA LEU 27 5.514 -0.776 -6.570 186 HB2 LEU 27 1HB LEU 27 6.344 1.734 -5.228 187 HB3 LEU 27 2HB LEU 27 7.471 0.379 -5.176 188 HG LEU 27 HG LEU 27 6.388 1.720 -7.654 189 HD11 LEU 27 1HD1 LEU 27 8.751 2.116 -5.994 190 HD12 LEU 27 2HD1 LEU 27 8.041 3.157 -7.228 191 HD13 LEU 27 3HD1 LEU 27 9.126 1.848 -7.697 192 HD21 LEU 27 3HD2 LEU 27 8.179 0.238 -8.732 193 HD22 LEU 27 1HD2 LEU 27 6.656 -0.519 -8.266 194 HD23 LEU 27 2HD2 LEU 27 8.087 -0.722 -7.255 195 H TRP 28 H TRP 28 5.131 0.515 -3.272 196 HA TRP 28 HA TRP 28 6.412 -1.543 -1.907 197 HB2 TRP 28 1HB TRP 28 5.927 0.348 -0.620 198 HB3 TRP 28 2HB TRP 28 4.245 0.391 -1.144 199 HD1 TRP 28 HD TRP 28 6.566 -1.487 1.279 200 HE1 TRP 28 1HE TRP 28 5.117 -2.587 3.100 201 HE3 TRP 28 3HE TRP 28 1.938 -0.448 -0.628 202 HZ2 TRP 28 2HZ TRP 28 2.376 -2.965 3.654 203 HZ3 TRP 28 3HZ TRP 28 -0.046 -1.214 0.609 204 HH2 TRP 28 HH TRP 28 0.170 -2.447 2.705 205 H LEU 29 H LEU 29 3.044 -1.265 -2.951 206 HA LEU 29 HA LEU 29 2.209 -3.699 -1.716 207 HB2 LEU 29 1HB LEU 29 0.551 -2.059 -2.122 208 HB3 LEU 29 2HB LEU 29 0.998 -1.929 -3.822 209 HG LEU 29 HG LEU 29 0.211 -4.416 -3.929 210 HD11 LEU 29 1HD1 LEU 29 -0.082 -4.732 -1.542 211 HD12 LEU 29 2HD1 LEU 29 -1.628 -4.886 -2.376 212 HD13 LEU 29 3HD1 LEU 29 -1.248 -3.409 -1.490 213 HD21 LEU 29 3HD2 LEU 29 -2.177 -2.782 -3.621 214 HD22 LEU 29 1HD2 LEU 29 -1.519 -3.570 -5.055 215 HD23 LEU 29 2HD2 LEU 29 -0.917 -1.986 -4.566 216 H GLU 30 H GLU 30 3.668 -2.858 -4.747 217 HA GLU 30 HA GLU 30 2.973 -5.291 -6.098 218 HB2 GLU 30 1HB GLU 30 4.755 -2.964 -6.677 219 HB3 GLU 30 2HB GLU 30 4.974 -4.446 -7.596 220 HG2 GLU 30 1HG GLU 30 2.474 -4.309 -8.080 221 HG3 GLU 30 2HG GLU 30 2.578 -2.652 -7.487 222 H GLN 31 H GLN 31 4.754 -4.934 -3.475 223 HA GLN 31 HA GLN 31 6.852 -6.822 -4.308 224 HB2 GLN 31 1HB GLN 31 6.726 -4.775 -2.114 225 HB3 GLN 31 2HB GLN 31 7.856 -6.120 -2.025 226 HG2 GLN 31 1HG GLN 31 8.957 -5.423 -4.020 227 HG3 GLN 31 2HG GLN 31 7.724 -4.202 -4.336 228 HE21 GLN 31 2HE2 GLN 31 9.050 -1.817 -2.156 229 HE22 GLN 31 1HE2 GLN 31 7.681 -2.325 -3.079 230 H LEU 32 H LEU 32 4.184 -6.294 -2.131 231 HA LEU 32 HA LEU 32 4.648 -8.389 -0.322 232 HB2 LEU 32 1HB LEU 32 1.890 -7.599 -1.166 233 HB3 LEU 32 2HB LEU 32 2.477 -8.059 0.432 234 HG LEU 32 HG LEU 32 2.887 -5.430 -0.984 235 HD11 LEU 32 1HD1 LEU 32 1.708 -5.801 1.730 236 HD12 LEU 32 2HD1 LEU 32 0.716 -6.093 0.301 237 HD13 LEU 32 3HD1 LEU 32 1.451 -4.510 0.556 238 HD21 LEU 32 3HD2 LEU 32 3.800 -5.493 1.742 239 HD22 LEU 32 1HD2 LEU 32 4.656 -4.992 0.283 240 HD23 LEU 32 2HD2 LEU 32 4.664 -6.687 0.773 241 H GLY 33 H GLY 33 3.412 -8.360 -3.570 242 HA2 GLY 33 1HA GLY 33 3.771 -11.097 -3.981 243 HA3 GLY 33 2HA GLY 33 2.084 -10.855 -3.549 244 HA PRO 34 HA PRO 34 2.967 -10.036 -8.154 245 HB2 PRO 34 2HB PRO 34 3.591 -12.169 -8.734 246 HB3 PRO 34 1HB PRO 34 1.884 -12.309 -9.169 247 HG2 PRO 34 1HG PRO 34 1.336 -13.390 -7.189 248 HG3 PRO 34 2HG PRO 34 2.987 -13.994 -7.425 249 HD2 PRO 34 1HD PRO 34 2.207 -12.731 -5.160 250 HD3 PRO 34 2HD PRO 34 3.859 -12.612 -5.800 251 H TRP 35 H TRP 35 0.287 -11.258 -6.273 252 HA TRP 35 HA TRP 35 -1.772 -10.705 -8.137 253 HB2 TRP 35 1HB TRP 35 -3.245 -10.749 -6.060 254 HB3 TRP 35 2HB TRP 35 -2.298 -12.201 -6.375 255 HD1 TRP 35 HD TRP 35 -0.938 -13.085 -4.390 256 HE1 TRP 35 1HE TRP 35 -0.185 -12.148 -2.114 257 HE3 TRP 35 3HE TRP 35 -2.541 -8.260 -4.928 258 HZ2 TRP 35 2HZ TRP 35 -0.262 -9.689 -0.729 259 HZ3 TRP 35 3HZ TRP 35 -2.163 -6.679 -3.081 260 HH2 TRP 35 HH TRP 35 -1.048 -7.381 -1.025 261 H ALA 36 H ALA 36 0.164 -8.688 -6.198 262 HA ALA 36 HA ALA 36 -1.532 -6.576 -5.569 263 HB1 ALA 36 3HB ALA 36 1.403 -6.665 -6.198 264 HB2 ALA 36 1HB ALA 36 0.585 -5.171 -5.739 265 HB3 ALA 36 2HB ALA 36 0.617 -6.539 -4.624 266 H SER 37 H SER 37 -0.059 -7.463 -8.610 267 HA SER 37 HA SER 37 -0.482 -5.001 -9.952 268 HB2 SER 37 1HB SER 37 1.106 -6.468 -10.925 269 HB3 SER 37 2HB SER 37 -0.023 -7.823 -10.917 270 HG SER 37 HG SER 37 -0.667 -7.202 -12.806 271 H LEU 38 H LEU 38 -2.637 -7.314 -8.843 272 HA LEU 38 HA LEU 38 -4.603 -6.961 -10.946 273 HB2 LEU 38 1HB LEU 38 -4.890 -8.345 -8.285 274 HB3 LEU 38 2HB LEU 38 -5.983 -8.470 -9.663 275 HG LEU 38 HG LEU 38 -3.122 -9.378 -9.820 276 HD11 LEU 38 1HD1 LEU 38 -5.435 -11.185 -9.190 277 HD12 LEU 38 2HD1 LEU 38 -4.425 -10.477 -7.930 278 HD13 LEU 38 3HD1 LEU 38 -3.709 -11.543 -9.139 279 HD21 LEU 38 3HD2 LEU 38 -3.886 -9.367 -11.966 280 HD22 LEU 38 1HD2 LEU 38 -5.569 -9.588 -11.488 281 HD23 LEU 38 2HD2 LEU 38 -4.461 -10.961 -11.474 282 H TYR 39 H TYR 39 -3.682 -5.381 -8.096 283 HA TYR 39 HA TYR 39 -6.285 -4.005 -7.954 284 HB2 TYR 39 1HB TYR 39 -4.242 -4.259 -5.740 285 HB3 TYR 39 2HB TYR 39 -5.845 -3.543 -5.616 286 HD1 TYR 39 1HD TYR 39 -4.035 -6.732 -6.143 287 HD2 TYR 39 2HD TYR 39 -7.746 -4.883 -5.186 288 HE1 TYR 39 1HE TYR 39 -4.955 -8.922 -5.504 289 HE2 TYR 39 2HE TYR 39 -8.675 -7.067 -4.543 290 HH TYR 39 HH TYR 39 -6.701 -9.882 -4.221 291 H ARG 40 H ARG 40 -2.872 -3.696 -8.365 292 HA ARG 40 HA ARG 40 -2.196 -1.177 -7.701 293 HB2 ARG 40 1HB ARG 40 -0.558 -1.216 -9.369 294 HB3 ARG 40 2HB ARG 40 -0.875 -2.918 -9.062 295 HG2 ARG 40 1HG ARG 40 -2.431 -2.887 -11.026 296 HG3 ARG 40 2HG ARG 40 -1.839 -1.261 -11.377 297 HD2 ARG 40 1HD ARG 40 0.506 -2.487 -11.169 298 HD3 ARG 40 2HD ARG 40 -0.469 -3.885 -11.622 299 HE ARG 40 HE ARG 40 -0.586 -3.052 -13.742 300 HH11 ARG 40 2HH1 ARG 40 0.304 -0.475 -11.577 301 HH12 ARG 40 1HH1 ARG 40 0.577 0.673 -12.846 302 HH21 ARG 40 1HH2 ARG 40 0.273 0.060 -15.032 303 HH22 ARG 40 2HH2 ARG 40 -0.228 -1.550 -15.422 304 H ASP 41 H ASP 41 -4.080 -2.060 -10.576 305 HA ASP 41 HA ASP 41 -4.330 0.412 -11.772 306 HB2 ASP 41 1HB ASP 41 -5.277 -1.975 -12.405 307 HB3 ASP 41 2HB ASP 41 -6.739 -1.353 -11.643 308 H ARG 42 H ARG 42 -6.218 -0.939 -9.102 309 HA ARG 42 HA ARG 42 -8.071 1.186 -8.913 310 HB2 ARG 42 1HB ARG 42 -7.157 -0.638 -6.685 311 HB3 ARG 42 2HB ARG 42 -8.668 0.258 -6.765 312 HG2 ARG 42 1HG ARG 42 -9.139 -1.108 -8.883 313 HG3 ARG 42 2HG ARG 42 -7.834 -2.157 -8.324 314 HD2 ARG 42 1HD ARG 42 -9.041 -2.397 -6.161 315 HD3 ARG 42 2HD ARG 42 -10.377 -1.479 -6.854 316 HE ARG 42 HE ARG 42 -9.718 -4.229 -7.358 317 HH11 ARG 42 2HH1 ARG 42 -11.291 -1.389 -8.614 318 HH12 ARG 42 1HH1 ARG 42 -12.355 -2.278 -9.653 319 HH21 ARG 42 1HH2 ARG 42 -12.254 -4.566 -9.712 320 HH22 ARG 42 2HH2 ARG 42 -11.113 -5.411 -8.722 321 H PHE 43 H PHE 43 -4.841 0.725 -7.688 322 HA PHE 43 HA PHE 43 -4.928 2.826 -5.759 323 HB2 PHE 43 1HB PHE 43 -2.718 1.234 -7.031 324 HB3 PHE 43 2HB PHE 43 -2.354 2.610 -5.995 325 HD1 PHE 43 2HD PHE 43 -4.714 -0.284 -5.877 326 HD2 PHE 43 1HD PHE 43 -1.753 2.023 -3.871 327 HE1 PHE 43 2HE PHE 43 -4.941 -1.724 -3.895 328 HE2 PHE 43 1HE PHE 43 -1.974 0.586 -1.886 329 HZ PHE 43 HZ PHE 43 -3.570 -1.289 -1.895 330 H LEU 44 H LEU 44 -3.605 2.565 -9.047 331 HA LEU 44 HA LEU 44 -2.676 5.232 -9.188 332 HB2 LEU 44 1HB LEU 44 -3.383 3.223 -11.313 333 HB3 LEU 44 2HB LEU 44 -2.708 4.810 -11.675 334 HG LEU 44 HG LEU 44 -0.908 3.297 -11.780 335 HD11 LEU 44 1HD1 LEU 44 0.572 4.055 -10.046 336 HD12 LEU 44 2HD1 LEU 44 -0.791 4.510 -9.024 337 HD13 LEU 44 3HD1 LEU 44 -0.481 5.387 -10.522 338 HD21 LEU 44 3HD2 LEU 44 -2.033 1.431 -10.624 339 HD22 LEU 44 1HD2 LEU 44 -1.733 2.232 -9.082 340 HD23 LEU 44 2HD2 LEU 44 -0.378 1.677 -10.065 341 H SER 45 H SER 45 -5.570 3.700 -10.601 342 HA SER 45 HA SER 45 -6.725 5.930 -11.739 343 HB2 SER 45 1HB SER 45 -7.475 3.405 -11.677 344 HB3 SER 45 2HB SER 45 -8.483 3.951 -10.337 345 HG SER 45 HG SER 45 -9.010 4.160 -12.887 346 H GLU 46 H GLU 46 -7.069 4.751 -8.409 347 HA GLU 46 HA GLU 46 -8.671 7.059 -7.679 348 HB2 GLU 46 1HB GLU 46 -7.689 4.665 -6.127 349 HB3 GLU 46 2HB GLU 46 -8.579 5.987 -5.383 350 HG2 GLU 46 1HG GLU 46 -9.570 4.193 -7.587 351 HG3 GLU 46 2HG GLU 46 -10.050 4.134 -5.892 352 H ARG 47 H ARG 47 -5.580 6.845 -8.333 353 HA ARG 47 HA ARG 47 -3.609 7.716 -7.526 354 HB2 ARG 47 1HB ARG 47 -5.597 9.919 -6.953 355 HB3 ARG 47 2HB ARG 47 -3.851 10.133 -6.938 356 HG2 ARG 47 1HG ARG 47 -4.393 10.868 -9.043 357 HG3 ARG 47 2HG ARG 47 -3.986 9.179 -9.355 358 HD2 ARG 47 1HD ARG 47 -5.970 9.405 -10.508 359 HD3 ARG 47 2HD ARG 47 -6.526 8.778 -8.957 360 HE ARG 47 HE ARG 47 -6.652 11.469 -8.640 361 HH11 ARG 47 2HH1 ARG 47 -7.907 9.256 -11.017 362 HH12 ARG 47 1HH1 ARG 47 -9.300 10.223 -11.372 363 HH21 ARG 47 1HH2 ARG 47 -9.626 12.211 -10.281 364 HH22 ARG 47 2HH2 ARG 47 -8.482 12.751 -9.099 365 H VAL 48 H VAL 48 -4.544 5.960 -5.656 366 HA VAL 48 HA VAL 48 -4.874 7.058 -3.067 367 HB VAL 48 HB VAL 48 -3.837 4.312 -3.783 368 HG11 VAL 48 1HG1 VAL 48 -5.455 4.787 -1.359 369 HG12 VAL 48 2HG1 VAL 48 -4.079 3.712 -1.616 370 HG13 VAL 48 3HG1 VAL 48 -3.815 5.435 -1.344 371 HG21 VAL 48 3HG2 VAL 48 -6.668 4.735 -3.032 372 HG22 VAL 48 1HG2 VAL 48 -6.183 5.265 -4.643 373 HG23 VAL 48 2HG2 VAL 48 -5.952 3.585 -4.161 374 H ASN 49 H ASN 49 -3.293 8.521 -2.541 375 HA ASN 49 HA ASN 49 -0.500 7.921 -2.869 376 HB2 ASN 49 1HB ASN 49 -0.103 10.075 -1.837 377 HB3 ASN 49 2HB ASN 49 -1.410 10.235 -3.007 378 HD21 ASN 49 2HD2 ASN 49 -3.761 11.293 -0.704 379 HD22 ASN 49 1HD2 ASN 49 -3.364 10.911 -2.342 380 H GLY 50 H GLY 50 1.043 7.837 -1.107 381 HA2 GLY 50 1HA GLY 50 0.736 5.873 0.706 382 HA3 GLY 50 2HA GLY 50 1.764 7.264 1.021 383 H ARG 51 H ARG 51 0.254 9.295 1.600 384 HA ARG 51 HA ARG 51 -0.600 8.996 4.170 385 HB2 ARG 51 1HB ARG 51 -0.339 11.131 2.710 386 HB3 ARG 51 2HB ARG 51 -2.045 10.898 2.352 387 HG2 ARG 51 1HG ARG 51 -1.106 10.949 5.186 388 HG3 ARG 51 2HG ARG 51 -1.339 12.455 4.296 389 HD2 ARG 51 1HD ARG 51 -3.654 11.450 3.703 390 HD3 ARG 51 2HD ARG 51 -3.353 10.381 5.072 391 HE ARG 51 HE ARG 51 -4.041 13.161 5.170 392 HH11 ARG 51 2HH1 ARG 51 -2.405 10.580 6.839 393 HH12 ARG 51 1HH1 ARG 51 -2.582 11.304 8.403 394 HH21 ARG 51 1HH2 ARG 51 -3.649 13.320 8.621 395 HH22 ARG 51 2HH2 ARG 51 -4.280 14.124 7.224 396 H LEU 52 H LEU 52 -2.717 8.959 1.302 397 HA LEU 52 HA LEU 52 -5.107 8.415 2.632 398 HB2 LEU 52 1HB LEU 52 -5.004 9.130 0.307 399 HB3 LEU 52 2HB LEU 52 -4.251 7.602 -0.142 400 HG LEU 52 HG LEU 52 -6.276 6.400 0.296 401 HD11 LEU 52 1HD1 LEU 52 -8.290 7.452 1.115 402 HD12 LEU 52 2HD1 LEU 52 -7.474 9.012 1.208 403 HD13 LEU 52 3HD1 LEU 52 -6.980 7.694 2.270 404 HD21 LEU 52 3HD2 LEU 52 -7.320 7.016 -1.602 405 HD22 LEU 52 1HD2 LEU 52 -5.951 8.116 -1.763 406 HD23 LEU 52 2HD2 LEU 52 -7.476 8.700 -1.097 407 H LEU 53 H LEU 53 -2.594 6.247 1.451 408 HA LEU 53 HA LEU 53 -3.937 3.816 1.772 409 HB2 LEU 53 1HB LEU 53 -1.786 4.104 0.598 410 HB3 LEU 53 2HB LEU 53 -0.997 4.367 2.152 411 HG LEU 53 HG LEU 53 -1.654 2.052 2.801 412 HD11 LEU 53 1HD1 LEU 53 -3.299 1.143 1.595 413 HD12 LEU 53 2HD1 LEU 53 -2.043 0.768 0.417 414 HD13 LEU 53 3HD1 LEU 53 -3.021 2.223 0.228 415 HD21 LEU 53 3HD2 LEU 53 0.580 2.448 2.033 416 HD22 LEU 53 1HD2 LEU 53 0.058 2.419 0.348 417 HD23 LEU 53 2HD2 LEU 53 0.007 0.943 1.312 418 H LEU 54 H LEU 54 -2.146 5.792 4.075 419 HA LEU 54 HA LEU 54 -2.119 3.920 6.191 420 HB2 LEU 54 1HB LEU 54 -1.871 6.908 6.073 421 HB3 LEU 54 2HB LEU 54 -1.851 6.040 7.607 422 HG LEU 54 HG LEU 54 0.125 5.681 5.353 423 HD11 LEU 54 1HD1 LEU 54 1.581 7.042 6.456 424 HD12 LEU 54 2HD1 LEU 54 0.856 6.731 8.033 425 HD13 LEU 54 3HD1 LEU 54 0.062 7.823 6.898 426 HD21 LEU 54 3HD2 LEU 54 -0.117 4.408 8.070 427 HD22 LEU 54 1HD2 LEU 54 1.371 4.397 7.124 428 HD23 LEU 54 2HD2 LEU 54 -0.079 3.613 6.496 429 H THR 55 H THR 55 -4.237 6.723 5.587 430 HA THR 55 HA THR 55 -5.935 6.426 7.757 431 HB THR 55 HB THR 55 -7.608 7.676 6.483 432 HG1 THR 55 1HG THR 55 -5.870 7.213 4.269 433 HG21 THR 55 3HG2 THR 55 -6.211 9.293 7.214 434 HG22 THR 55 1HG2 THR 55 -5.784 9.428 5.509 435 HG23 THR 55 2HG2 THR 55 -4.775 8.476 6.599 436 H LEU 56 H LEU 56 -6.086 4.892 4.572 437 HA LEU 56 HA LEU 56 -8.559 3.682 4.704 438 HB2 LEU 56 1HB LEU 56 -5.974 2.753 3.486 439 HB3 LEU 56 2HB LEU 56 -7.479 1.855 3.301 440 HG LEU 56 HG LEU 56 -7.121 4.714 2.416 441 HD11 LEU 56 1HD1 LEU 56 -5.687 2.817 1.301 442 HD12 LEU 56 2HD1 LEU 56 -6.499 4.038 0.321 443 HD13 LEU 56 3HD1 LEU 56 -7.213 2.436 0.503 444 HD21 LEU 56 3HD2 LEU 56 -9.130 2.898 1.235 445 HD22 LEU 56 1HD2 LEU 56 -9.231 4.619 1.609 446 HD23 LEU 56 2HD2 LEU 56 -9.422 3.425 2.894 447 H THR 57 H THR 57 -9.395 1.852 5.605 448 HA THR 57 HA THR 57 -7.632 0.307 7.390 449 HB THR 57 HB THR 57 -9.596 0.059 8.934 450 HG1 THR 57 1HG THR 57 -11.292 1.570 8.679 451 HG21 THR 57 3HG2 THR 57 -9.307 2.222 10.002 452 HG22 THR 57 1HG2 THR 57 -8.653 2.898 8.510 453 HG23 THR 57 2HG2 THR 57 -7.760 1.649 9.379 454 H GLU 58 H GLU 58 -8.607 -1.830 8.010 455 HA GLU 58 HA GLU 58 -8.913 -3.549 5.988 456 HB2 GLU 58 1HB GLU 58 -8.826 -4.371 8.235 457 HB3 GLU 58 2HB GLU 58 -10.358 -3.606 8.637 458 HG2 GLU 58 1HG GLU 58 -11.363 -5.124 6.834 459 HG3 GLU 58 2HG GLU 58 -9.856 -6.030 6.956 460 H GLU 59 H GLU 59 -11.472 -1.500 7.267 461 HA GLU 59 HA GLU 59 -13.600 -2.647 5.801 462 HB2 GLU 59 1HB GLU 59 -13.163 -0.125 7.312 463 HB3 GLU 59 2HB GLU 59 -14.496 -0.154 6.166 464 HG2 GLU 59 1HG GLU 59 -14.988 -0.777 8.588 465 HG3 GLU 59 2HG GLU 59 -15.620 -1.828 7.322 466 H GLU 60 H GLU 60 -12.304 0.627 5.290 467 HA GLU 60 HA GLU 60 -13.263 1.224 2.866 468 HB2 GLU 60 1HB GLU 60 -10.416 1.669 3.775 469 HB3 GLU 60 2HB GLU 60 -11.153 2.474 2.397 470 HG2 GLU 60 1HG GLU 60 -11.993 2.707 5.277 471 HG3 GLU 60 2HG GLU 60 -11.177 3.934 4.308 472 H PHE 61 H PHE 61 -10.514 -0.923 3.442 473 HA PHE 61 HA PHE 61 -9.795 -1.343 0.762 474 HB2 PHE 61 1HB PHE 61 -9.442 -2.992 3.257 475 HB3 PHE 61 2HB PHE 61 -8.858 -3.551 1.693 476 HD1 PHE 61 1HD PHE 61 -7.563 -1.515 0.387 477 HD2 PHE 61 2HD PHE 61 -7.836 -2.078 4.597 478 HE1 PHE 61 1HE PHE 61 -5.498 -0.213 0.691 479 HE2 PHE 61 2HE PHE 61 -5.773 -0.775 4.908 480 HZ PHE 61 HZ PHE 61 -4.601 0.160 2.954 481 H SER 62 H SER 62 -11.998 -3.145 2.884 482 HA SER 62 HA SER 62 -12.722 -5.010 0.824 483 HB2 SER 62 1HB SER 62 -13.922 -6.117 2.449 484 HB3 SER 62 2HB SER 62 -12.791 -5.230 3.470 485 HG SER 62 HG SER 62 -14.478 -4.356 4.341 486 H ARG 63 H ARG 63 -13.500 -1.833 1.367 487 HA ARG 63 HA ARG 63 -16.224 -2.073 0.313 488 HB2 ARG 63 1HB ARG 63 -14.773 0.369 1.349 489 HB3 ARG 63 2HB ARG 63 -16.470 0.287 0.896 490 HG2 ARG 63 1HG ARG 63 -15.286 -1.404 3.078 491 HG3 ARG 63 2HG ARG 63 -15.965 0.200 3.362 492 HD2 ARG 63 1HD ARG 63 -17.436 -2.133 2.140 493 HD3 ARG 63 2HD ARG 63 -17.581 -1.601 3.815 494 HE ARG 63 HE ARG 63 -18.143 0.476 1.920 495 HH11 ARG 63 2HH1 ARG 63 -19.472 -2.250 3.631 496 HH12 ARG 63 1HH1 ARG 63 -21.105 -1.680 3.536 497 HH21 ARG 63 1HH2 ARG 63 -21.569 0.304 2.488 498 HH22 ARG 63 2HH2 ARG 63 -20.289 1.237 1.789 499 H ALA 64 H ALA 64 -16.883 -0.981 -1.560 500 HA ALA 64 HA ALA 64 -15.095 -1.015 -3.710 501 HB1 ALA 64 3HB ALA 64 -17.843 -0.684 -3.374 502 HB2 ALA 64 1HB ALA 64 -17.300 0.776 -4.200 503 HB3 ALA 64 2HB ALA 64 -16.962 -0.809 -4.897 504 HA PRO 65 HA PRO 65 -15.421 0.255 -5.828 505 HB2 PRO 65 2HB PRO 65 -14.638 1.946 -7.171 506 HB3 PRO 65 1HB PRO 65 -13.221 0.895 -7.284 507 HG2 PRO 65 1HG PRO 65 -12.042 2.100 -5.687 508 HG3 PRO 65 2HG PRO 65 -12.989 3.406 -6.423 509 HD2 PRO 65 1HD PRO 65 -13.046 2.883 -3.767 510 HD3 PRO 65 2HD PRO 65 -14.453 3.516 -4.646 511 H TYR 66 H TYR 66 -12.504 0.272 -3.916 512 HA TYR 66 HA TYR 66 -11.069 -1.819 -5.005 513 HB2 TYR 66 1HB TYR 66 -11.308 -1.594 -2.029 514 HB3 TYR 66 2HB TYR 66 -9.880 -1.897 -3.011 515 HD1 TYR 66 1HD TYR 66 -9.860 0.289 -4.909 516 HD2 TYR 66 2HD TYR 66 -10.911 0.319 -0.787 517 HE1 TYR 66 1HE TYR 66 -9.261 2.671 -4.780 518 HE2 TYR 66 2HE TYR 66 -10.315 2.701 -0.646 519 HH TYR 66 HH TYR 66 -8.733 4.357 -3.273 520 H THR 67 H THR 67 -13.773 -1.950 -2.726 521 HA THR 67 HA THR 67 -14.783 -3.809 -1.751 522 HB THR 67 HB THR 67 -15.880 -3.187 -4.020 523 HG1 THR 67 1HG THR 67 -17.020 -5.443 -3.775 524 HG21 THR 67 3HG2 THR 67 -15.257 -5.952 -4.874 525 HG22 THR 67 1HG2 THR 67 -13.985 -4.752 -5.101 526 HG23 THR 67 2HG2 THR 67 -15.568 -4.510 -5.841 527 H ILE 68 H ILE 68 -12.001 -4.285 -1.863 528 HA ILE 68 HA ILE 68 -11.099 -6.562 -3.088 529 HB ILE 68 HB ILE 68 -10.502 -5.676 -0.263 530 HG12 ILE 68 1HG1 ILE 68 -8.721 -5.262 -2.639 531 HG13 ILE 68 2HG1 ILE 68 -10.060 -4.156 -2.349 532 HG21 ILE 68 1HG2 ILE 68 -9.860 -8.095 -1.415 533 HG22 ILE 68 2HG2 ILE 68 -8.415 -7.121 -1.678 534 HG23 ILE 68 3HG2 ILE 68 -9.040 -7.348 -0.045 535 HD11 ILE 68 3HD1 ILE 68 -8.968 -3.113 -0.722 536 HD12 ILE 68 1HD1 ILE 68 -8.462 -4.626 0.028 537 HD13 ILE 68 2HD1 ILE 68 -7.531 -3.950 -1.309 538 H GLU 69 H GLU 69 -12.573 -8.209 -3.302 539 HA GLU 69 HA GLU 69 -13.915 -9.307 -0.990 540 HB2 GLU 69 1HB GLU 69 -13.822 -10.369 -3.818 541 HB3 GLU 69 2HB GLU 69 -14.947 -10.851 -2.556 542 HG2 GLU 69 1HG GLU 69 -15.636 -8.368 -2.531 543 HG3 GLU 69 2HG GLU 69 -14.831 -8.294 -4.098 544 H ASN 70 H ASN 70 -11.131 -9.393 -0.724 545 HA ASN 70 HA ASN 70 -10.755 -12.264 -0.423 546 HB2 ASN 70 1HB ASN 70 -9.754 -11.390 -2.662 547 HB3 ASN 70 2HB ASN 70 -8.507 -10.685 -1.637 548 HD21 ASN 70 2HD2 ASN 70 -6.737 -13.620 -1.373 549 HD22 ASN 70 1HD2 ASN 70 -6.806 -11.898 -1.258 550 H SER 71 H SER 71 -10.519 -12.335 1.724 551 HA SER 71 HA SER 71 -9.561 -10.329 3.383 552 HB2 SER 71 1HB SER 71 -9.402 -13.314 3.868 553 HB3 SER 71 2HB SER 71 -9.333 -12.056 5.102 554 HG SER 71 HG SER 71 -11.508 -12.989 3.620 555 H SER 72 H SER 72 -7.784 -13.302 2.521 556 HA SER 72 HA SER 72 -5.359 -12.895 3.547 557 HB2 SER 72 1HB SER 72 -6.027 -13.843 0.761 558 HB3 SER 72 2HB SER 72 -4.384 -13.883 1.400 559 HG SER 72 HG SER 72 -5.029 -15.764 2.119 560 H HIS 73 H HIS 73 -6.576 -11.234 0.672 561 HA HIS 73 HA HIS 73 -4.227 -9.852 0.006 562 HB2 HIS 73 1HB HIS 73 -6.122 -10.011 -1.527 563 HB3 HIS 73 2HB HIS 73 -7.111 -9.050 -0.432 564 HD1 HIS 73 1HD HIS 73 -6.860 -6.528 -0.533 565 HD2 HIS 73 2HD HIS 73 -4.108 -8.541 -2.906 566 HE1 HIS 73 1HE HIS 73 -5.766 -4.757 -1.944 567 HE2 HIS 73 2HE HIS 73 -4.165 -6.009 -3.432 568 H ARG 74 H ARG 74 -7.016 -8.815 1.961 569 HA ARG 74 HA ARG 74 -6.020 -6.276 2.621 570 HB2 ARG 74 1HB ARG 74 -8.048 -8.098 3.878 571 HB3 ARG 74 2HB ARG 74 -7.598 -6.589 4.661 572 HG2 ARG 74 1HG ARG 74 -8.160 -5.484 2.419 573 HG3 ARG 74 2HG ARG 74 -8.972 -7.003 2.034 574 HD2 ARG 74 1HD ARG 74 -9.569 -5.710 4.644 575 HD3 ARG 74 2HD ARG 74 -10.245 -4.986 3.185 576 HE ARG 74 HE ARG 74 -11.643 -6.803 2.954 577 HH11 ARG 74 2HH1 ARG 74 -9.269 -7.433 5.421 578 HH12 ARG 74 1HH1 ARG 74 -10.059 -8.862 5.999 579 HH21 ARG 74 1HH2 ARG 74 -12.005 -9.573 5.023 580 HH22 ARG 74 2HH2 ARG 74 -12.692 -8.683 3.706 581 H ARG 75 H ARG 75 -5.723 -9.402 4.256 582 HA ARG 75 HA ARG 75 -4.496 -8.565 6.604 583 HB2 ARG 75 1HB ARG 75 -5.297 -10.862 6.206 584 HB3 ARG 75 2HB ARG 75 -3.984 -11.117 5.065 585 HG2 ARG 75 1HG ARG 75 -3.332 -10.281 7.846 586 HG3 ARG 75 2HG ARG 75 -3.803 -11.953 7.535 587 HD2 ARG 75 1HD ARG 75 -2.035 -12.067 5.794 588 HD3 ARG 75 2HD ARG 75 -1.525 -10.445 6.260 589 HE ARG 75 HE ARG 75 -1.569 -12.148 8.517 590 HH11 ARG 75 2HH1 ARG 75 0.253 -11.483 5.625 591 HH12 ARG 75 1HH1 ARG 75 1.752 -12.049 6.283 592 HH21 ARG 75 1HH2 ARG 75 1.834 -12.853 8.427 593 HH22 ARG 75 2HH2 ARG 75 0.399 -12.895 9.394 594 H VAL 76 H VAL 76 -3.080 -9.284 3.446 595 HA VAL 76 HA VAL 76 -0.376 -9.034 4.232 596 HB VAL 76 HB VAL 76 -1.603 -8.608 1.504 597 HG11 VAL 76 1HG1 VAL 76 1.097 -9.581 1.489 598 HG12 VAL 76 2HG1 VAL 76 0.425 -8.136 0.730 599 HG13 VAL 76 3HG1 VAL 76 1.002 -8.073 2.396 600 HG21 VAL 76 3HG2 VAL 76 -1.815 -10.875 2.812 601 HG22 VAL 76 1HG2 VAL 76 -1.398 -10.859 1.099 602 HG23 VAL 76 2HG2 VAL 76 -0.136 -11.075 2.311 603 H ILE 77 H ILE 77 -2.607 -6.739 2.678 604 HA ILE 77 HA ILE 77 -0.807 -4.589 2.521 605 HB ILE 77 HB ILE 77 -3.819 -4.612 2.670 606 HG12 ILE 77 1HG1 ILE 77 -2.024 -4.039 0.312 607 HG13 ILE 77 2HG1 ILE 77 -2.612 -5.655 0.689 608 HG21 ILE 77 1HG2 ILE 77 -1.901 -2.371 2.631 609 HG22 ILE 77 2HG2 ILE 77 -3.266 -2.250 1.523 610 HG23 ILE 77 3HG2 ILE 77 -3.550 -2.446 3.252 611 HD11 ILE 77 3HD1 ILE 77 -4.530 -3.390 0.370 612 HD12 ILE 77 1HD1 ILE 77 -3.869 -4.215 -1.041 613 HD13 ILE 77 2HD1 ILE 77 -4.794 -5.120 0.158 614 H LEU 78 H LEU 78 -3.508 -5.001 4.821 615 HA LEU 78 HA LEU 78 -2.922 -2.909 6.512 616 HB2 LEU 78 1HB LEU 78 -4.292 -5.523 6.846 617 HB3 LEU 78 2HB LEU 78 -3.902 -4.606 8.300 618 HG LEU 78 HG LEU 78 -6.195 -4.203 7.586 619 HD11 LEU 78 1HD1 LEU 78 -4.525 -2.373 8.490 620 HD12 LEU 78 2HD1 LEU 78 -6.168 -1.960 8.002 621 HD13 LEU 78 3HD1 LEU 78 -4.821 -1.657 6.906 622 HD21 LEU 78 3HD2 LEU 78 -6.832 -3.552 5.496 623 HD22 LEU 78 1HD2 LEU 78 -5.408 -4.504 5.075 624 HD23 LEU 78 2HD2 LEU 78 -5.300 -2.745 5.157 625 H THR 79 H THR 79 -2.006 -6.308 7.105 626 HA THR 79 HA THR 79 -0.430 -6.013 9.305 627 HB THR 79 HB THR 79 0.079 -7.834 6.946 628 HG1 THR 79 1HG THR 79 -1.929 -8.125 8.063 629 HG21 THR 79 3HG2 THR 79 1.015 -8.817 9.491 630 HG22 THR 79 1HG2 THR 79 1.799 -7.291 9.085 631 HG23 THR 79 2HG2 THR 79 1.885 -8.652 7.967 632 H GLU 80 H GLU 80 0.993 -6.194 6.037 633 HA GLU 80 HA GLU 80 3.536 -5.390 6.627 634 HB2 GLU 80 1HB GLU 80 1.871 -4.826 4.177 635 HB3 GLU 80 2HB GLU 80 3.579 -4.426 4.275 636 HG2 GLU 80 1HG GLU 80 2.751 -7.202 4.920 637 HG3 GLU 80 2HG GLU 80 2.740 -6.693 3.233 638 H LEU 81 H LEU 81 0.836 -3.246 5.736 639 HA LEU 81 HA LEU 81 2.155 -0.818 5.877 640 HB2 LEU 81 1HB LEU 81 -0.633 -1.726 6.101 641 HB3 LEU 81 2HB LEU 81 -0.296 -0.156 6.828 642 HG LEU 81 HG LEU 81 0.462 -0.780 3.988 643 HD11 LEU 81 1HD1 LEU 81 -2.126 -0.887 4.857 644 HD12 LEU 81 2HD1 LEU 81 -1.614 -0.474 3.221 645 HD13 LEU 81 3HD1 LEU 81 -1.959 0.804 4.385 646 HD21 LEU 81 3HD2 LEU 81 -0.341 1.912 4.867 647 HD22 LEU 81 1HD2 LEU 81 0.984 1.403 3.820 648 HD23 LEU 81 2HD2 LEU 81 1.153 1.294 5.572 649 H GLU 82 H GLU 82 0.683 -2.711 8.473 650 HA GLU 82 HA GLU 82 0.957 -0.822 10.529 651 HB2 GLU 82 1HB GLU 82 -0.442 -2.785 10.797 652 HB3 GLU 82 2HB GLU 82 0.955 -3.841 10.648 653 HG2 GLU 82 1HG GLU 82 0.468 -3.759 12.936 654 HG3 GLU 82 2HG GLU 82 1.867 -2.710 12.715 655 H ARG 83 H ARG 83 3.261 -2.878 8.977 656 HA ARG 83 HA ARG 83 5.232 -2.650 11.082 657 HB2 ARG 83 1HB ARG 83 5.523 -3.715 8.267 658 HB3 ARG 83 2HB ARG 83 6.689 -3.901 9.570 659 HG2 ARG 83 1HG ARG 83 4.630 -5.005 10.791 660 HG3 ARG 83 2HG ARG 83 4.095 -5.274 9.131 661 HD2 ARG 83 1HD ARG 83 6.350 -6.292 8.683 662 HD3 ARG 83 2HD ARG 83 6.653 -6.208 10.418 663 HE ARG 83 HE ARG 83 4.210 -7.558 9.763 664 HH11 ARG 83 2HH1 ARG 83 7.655 -7.918 10.112 665 HH12 ARG 83 1HH1 ARG 83 7.576 -9.620 10.430 666 HH21 ARG 83 1HH2 ARG 83 5.549 -10.687 10.467 667 HH22 ARG 83 2HH2 ARG 83 4.093 -9.797 10.180 668 H VAL 84 H VAL 84 5.213 -1.710 7.637 669 HA VAL 84 HA VAL 84 7.438 -0.141 7.551 670 HB VAL 84 HB VAL 84 6.289 1.217 5.791 671 HG11 VAL 84 1HG1 VAL 84 5.681 -0.918 4.394 672 HG12 VAL 84 2HG1 VAL 84 7.348 -0.606 4.880 673 HG13 VAL 84 3HG1 VAL 84 6.367 -1.763 5.782 674 HG21 VAL 84 3HG2 VAL 84 3.930 -0.420 6.689 675 HG22 VAL 84 1HG2 VAL 84 4.060 1.335 6.567 676 HG23 VAL 84 2HG2 VAL 84 4.011 0.351 5.104 677 H ARG 85 H ARG 85 4.194 0.886 8.570 678 HA ARG 85 HA ARG 85 4.900 3.579 9.080 679 HB2 ARG 85 1HB ARG 85 2.748 3.840 9.936 680 HB3 ARG 85 2HB ARG 85 2.559 2.522 8.787 681 HG2 ARG 85 1HG ARG 85 2.623 0.903 10.587 682 HG3 ARG 85 2HG ARG 85 2.900 2.192 11.760 683 HD2 ARG 85 1HD ARG 85 0.493 2.184 9.969 684 HD3 ARG 85 2HD ARG 85 0.511 1.295 11.492 685 HE ARG 85 HE ARG 85 1.311 3.792 12.194 686 HH11 ARG 85 2HH1 ARG 85 -1.429 2.528 10.458 687 HH12 ARG 85 1HH1 ARG 85 -2.498 3.794 10.963 688 HH21 ARG 85 1HH2 ARG 85 -1.734 5.464 12.332 689 HH22 ARG 85 2HH2 ARG 85 -0.087 5.464 12.866 690 H SER 86 H SER 86 4.678 0.716 11.155 691 HA SER 86 HA SER 86 5.304 2.076 13.567 692 HB2 SER 86 1HB SER 86 4.163 -0.095 13.569 693 HB3 SER 86 2HB SER 86 5.588 -0.857 12.865 694 HG SER 86 HG SER 86 5.393 0.380 15.412 695 H GLY 87 H GLY 87 7.159 3.181 13.731 696 HA2 GLY 87 1HA GLY 87 9.594 2.224 12.488 697 HA3 GLY 87 2HA GLY 87 9.400 3.716 13.395 698 HA PRO 88 HA PRO 88 11.245 0.054 15.936 699 HB2 PRO 88 2HB PRO 88 12.789 -0.805 14.467 700 HB3 PRO 88 1HB PRO 88 13.888 0.260 15.352 701 HG2 PRO 88 1HG PRO 88 13.794 1.916 13.728 702 HG3 PRO 88 2HG PRO 88 13.615 0.475 12.710 703 HD2 PRO 88 1HD PRO 88 11.818 2.500 12.698 704 HD3 PRO 88 2HD PRO 88 11.354 0.810 12.416 705 H SER 89 H SER 89 12.063 3.348 15.253 706 HA SER 89 HA SER 89 13.861 4.082 17.150 707 HB2 SER 89 1HB SER 89 11.323 5.578 16.449 708 HB3 SER 89 2HB SER 89 12.737 6.280 17.236 709 HG SER 89 HG SER 89 12.513 5.260 14.607 710 H SER 90 H SER 90 13.485 5.237 19.251 711 HA SER 90 HA SER 90 12.229 3.475 21.083 712 HB2 SER 90 1HB SER 90 12.928 5.042 22.799 713 HB3 SER 90 2HB SER 90 14.227 4.867 21.619 714 HG SER 90 HG SER 90 13.848 7.058 22.147 715 H GLY 91 H GLY 91 10.218 3.440 21.860 716 HA2 GLY 91 1HA GLY 91 8.610 5.831 22.024 717 HA3 GLY 91 2HA GLY 91 8.064 4.697 20.797 Start of MODEL 5 1 H1 GLY 1 H GLY 1 22.543 3.259 -7.247 2 HA2 GLY 1 1HA GLY 1 22.144 5.846 -6.983 3 HA3 GLY 1 2HA GLY 1 22.701 5.221 -8.529 4 H SER 2 H SER 2 21.404 7.541 -8.619 5 HA SER 2 HA SER 2 18.652 6.879 -9.429 6 HB2 SER 2 1HB SER 2 19.898 9.394 -8.358 7 HB3 SER 2 2HB SER 2 18.423 9.475 -9.322 8 HG SER 2 HG SER 2 17.801 7.675 -7.693 9 H SER 3 H SER 3 19.008 6.218 -11.520 10 HA SER 3 HA SER 3 20.560 7.877 -13.325 11 HB2 SER 3 1HB SER 3 20.378 5.254 -13.275 12 HB3 SER 3 2HB SER 3 18.931 5.535 -14.243 13 HG SER 3 HG SER 3 20.143 6.385 -15.837 14 H GLY 4 H GLY 4 19.416 9.778 -13.565 15 HA2 GLY 4 1HA GLY 4 17.963 11.130 -14.753 16 HA3 GLY 4 2HA GLY 4 17.225 9.683 -15.424 17 H SER 5 H SER 5 16.375 8.375 -13.165 18 HA SER 5 HA SER 5 14.555 10.299 -11.879 19 HB2 SER 5 1HB SER 5 13.806 7.551 -12.908 20 HB3 SER 5 2HB SER 5 12.736 8.653 -12.042 21 HG SER 5 HG SER 5 12.943 10.114 -13.769 22 H SER 6 H SER 6 13.936 9.835 -9.762 23 HA SER 6 HA SER 6 15.819 8.192 -8.307 24 HB2 SER 6 1HB SER 6 13.636 10.099 -7.482 25 HB3 SER 6 2HB SER 6 14.474 9.088 -6.305 26 HG SER 6 HG SER 6 16.453 10.033 -7.166 27 H GLY 7 H GLY 7 15.479 6.176 -7.640 28 HA2 GLY 7 1HA GLY 7 12.955 5.204 -6.766 29 HA3 GLY 7 2HA GLY 7 13.304 4.630 -8.390 30 H GLU 8 H GLU 8 13.161 3.370 -5.596 31 HA GLU 8 HA GLU 8 15.152 1.406 -6.043 32 HB2 GLU 8 1HB GLU 8 16.407 3.443 -5.021 33 HB3 GLU 8 2HB GLU 8 15.646 2.947 -3.516 34 HG2 GLU 8 1HG GLU 8 16.656 0.695 -3.824 35 HG3 GLU 8 2HG GLU 8 17.526 1.331 -5.218 36 H HIS 9 H HIS 9 14.927 -0.396 -4.677 37 HA HIS 9 HA HIS 9 12.428 -0.393 -3.140 38 HB2 HIS 9 1HB HIS 9 13.987 -2.827 -3.997 39 HB3 HIS 9 2HB HIS 9 12.296 -2.734 -3.513 40 HD1 HIS 9 1HD HIS 9 13.793 -3.637 -6.351 41 HD2 HIS 9 2HD HIS 9 11.304 -0.400 -5.581 42 HE1 HIS 9 1HE HIS 9 12.825 -2.988 -8.579 43 HE2 HIS 9 2HE HIS 9 11.389 -0.975 -8.102 44 H GLY 10 H GLY 10 12.839 0.138 -1.073 45 HA2 GLY 10 1HA GLY 10 13.710 -1.437 0.870 46 HA3 GLY 10 2HA GLY 10 15.247 -0.868 0.235 47 H LEU 11 H LEU 11 14.463 1.780 -0.390 48 HA LEU 11 HA LEU 11 14.835 3.007 2.135 49 HB2 LEU 11 1HB LEU 11 14.831 5.065 0.980 50 HB3 LEU 11 2HB LEU 11 15.598 3.890 -0.086 51 HG LEU 11 HG LEU 11 14.211 5.302 -1.415 52 HD11 LEU 11 1HD1 LEU 11 12.661 3.689 -2.390 53 HD12 LEU 11 2HD1 LEU 11 12.824 2.663 -0.966 54 HD13 LEU 11 3HD1 LEU 11 14.213 2.939 -2.016 55 HD21 LEU 11 3HD2 LEU 11 11.660 4.566 -0.156 56 HD22 LEU 11 1HD2 LEU 11 12.194 6.105 -0.832 57 HD23 LEU 11 2HD2 LEU 11 12.684 5.641 0.797 58 H LEU 12 H LEU 12 12.069 1.845 0.602 59 HA LEU 12 HA LEU 12 10.061 3.629 1.181 60 HB2 LEU 12 1HB LEU 12 10.189 0.651 1.099 61 HB3 LEU 12 2HB LEU 12 8.714 1.430 1.666 62 HG LEU 12 HG LEU 12 9.963 1.956 -1.027 63 HD11 LEU 12 1HD1 LEU 12 7.962 -0.078 -0.134 64 HD12 LEU 12 2HD1 LEU 12 9.334 -0.261 -1.226 65 HD13 LEU 12 3HD1 LEU 12 7.889 0.596 -1.763 66 HD21 LEU 12 3HD2 LEU 12 8.608 3.767 -0.627 67 HD22 LEU 12 1HD2 LEU 12 7.490 2.848 0.381 68 HD23 LEU 12 2HD2 LEU 12 7.462 2.651 -1.371 69 H VAL 13 H VAL 13 11.069 0.947 3.313 70 HA VAL 13 HA VAL 13 9.544 1.659 5.524 71 HB VAL 13 HB VAL 13 11.207 0.385 6.878 72 HG11 VAL 13 1HG1 VAL 13 9.618 -0.550 4.668 73 HG12 VAL 13 2HG1 VAL 13 11.004 -1.611 4.931 74 HG13 VAL 13 3HG1 VAL 13 9.879 -1.284 6.250 75 HG21 VAL 13 3HG2 VAL 13 13.083 -0.686 5.785 76 HG22 VAL 13 1HG2 VAL 13 12.652 0.066 4.249 77 HG23 VAL 13 2HG2 VAL 13 13.205 1.063 5.595 78 H HIS 14 H HIS 14 12.627 2.888 4.418 79 HA HIS 14 HA HIS 14 13.388 4.219 6.792 80 HB2 HIS 14 1HB HIS 14 14.867 3.702 4.802 81 HB3 HIS 14 2HB HIS 14 14.103 5.059 3.980 82 HD1 HIS 14 1HD HIS 14 15.056 7.326 4.424 83 HD2 HIS 14 2HD HIS 14 16.346 4.499 7.182 84 HE1 HIS 14 1HE HIS 14 16.811 8.484 5.803 85 HE2 HIS 14 2HE HIS 14 17.637 6.728 7.409 86 H LYS 15 H LYS 15 11.693 5.351 3.880 87 HA LYS 15 HA LYS 15 11.181 7.933 5.110 88 HB2 LYS 15 1HB LYS 15 11.722 7.981 2.775 89 HB3 LYS 15 2HB LYS 15 10.497 6.774 2.407 90 HG2 LYS 15 1HG LYS 15 8.824 8.507 3.310 91 HG3 LYS 15 2HG LYS 15 10.144 9.661 3.108 92 HD2 LYS 15 1HD LYS 15 10.280 8.546 0.716 93 HD3 LYS 15 2HD LYS 15 8.591 8.163 1.057 94 HE2 LYS 15 1HE LYS 15 8.354 10.207 0.054 95 HE3 LYS 15 2HE LYS 15 8.494 10.699 1.741 96 HZ1 LYS 15 3HZ LYS 15 10.844 10.550 -0.052 97 HZ2 LYS 15 1HZ LYS 15 10.706 11.353 1.431 98 HZ3 LYS 15 2HZ LYS 15 9.896 11.946 0.071 99 H ALA 16 H ALA 16 9.192 8.700 5.741 100 HA ALA 16 HA ALA 16 7.361 6.921 6.850 101 HB1 ALA 16 3HB ALA 16 7.708 9.396 7.367 102 HB2 ALA 16 1HB ALA 16 6.617 9.708 6.017 103 HB3 ALA 16 2HB ALA 16 6.055 8.784 7.410 104 H VAL 17 H VAL 17 5.297 6.242 6.255 105 HA VAL 17 HA VAL 17 4.925 5.812 3.443 106 HB VAL 17 HB VAL 17 3.164 5.116 5.797 107 HG11 VAL 17 1HG1 VAL 17 1.549 4.639 4.352 108 HG12 VAL 17 2HG1 VAL 17 2.572 5.134 3.002 109 HG13 VAL 17 3HG1 VAL 17 2.615 3.467 3.577 110 HG21 VAL 17 3HG2 VAL 17 5.577 4.037 5.072 111 HG22 VAL 17 1HG2 VAL 17 4.330 3.217 6.011 112 HG23 VAL 17 2HG2 VAL 17 4.426 2.971 4.267 113 H ASP 18 H ASP 18 3.563 7.926 5.875 114 HA ASP 18 HA ASP 18 1.312 8.778 4.364 115 HB2 ASP 18 1HB ASP 18 0.884 10.255 6.098 116 HB3 ASP 18 2HB ASP 18 1.828 9.016 6.920 117 H LYS 19 H LYS 19 4.495 9.160 3.723 118 HA LYS 19 HA LYS 19 4.096 11.783 2.440 119 HB2 LYS 19 1HB LYS 19 6.440 10.538 3.780 120 HB3 LYS 19 2HB LYS 19 6.760 11.544 2.373 121 HG2 LYS 19 1HG LYS 19 6.954 12.926 4.286 122 HG3 LYS 19 2HG LYS 19 5.443 13.361 3.484 123 HD2 LYS 19 1HD LYS 19 4.148 12.204 5.095 124 HD3 LYS 19 2HD LYS 19 5.570 11.398 5.762 125 HE2 LYS 19 1HE LYS 19 4.890 13.163 7.251 126 HE3 LYS 19 2HE LYS 19 6.421 13.603 6.496 127 HZ1 LYS 19 3HZ LYS 19 3.737 14.719 6.027 128 HZ2 LYS 19 1HZ LYS 19 4.909 14.809 4.810 129 HZ3 LYS 19 2HZ LYS 19 5.195 15.527 6.315 130 H TRP 20 H TRP 20 4.174 8.557 1.815 131 HA TRP 20 HA TRP 20 5.791 8.363 -0.483 132 HB2 TRP 20 1HB TRP 20 3.367 6.778 0.384 133 HB3 TRP 20 2HB TRP 20 4.363 6.356 -1.007 134 HD1 TRP 20 HD TRP 20 6.649 7.614 1.543 135 HE1 TRP 20 1HE TRP 20 7.746 5.684 2.845 136 HE3 TRP 20 3HE TRP 20 3.579 3.797 0.077 137 HZ2 TRP 20 2HZ TRP 20 7.362 2.910 3.203 138 HZ3 TRP 20 3HZ TRP 20 4.013 1.536 0.945 139 HH2 TRP 20 HH TRP 20 5.866 1.103 2.475 140 H THR 21 H THR 21 4.798 7.793 -2.687 141 HA THR 21 HA THR 21 2.695 9.760 -3.325 142 HB THR 21 HB THR 21 3.803 9.856 -5.622 143 HG1 THR 21 1HG THR 21 5.984 8.771 -4.136 144 HG21 THR 21 3HG2 THR 21 4.911 11.008 -3.100 145 HG22 THR 21 1HG2 THR 21 4.069 11.809 -4.426 146 HG23 THR 21 2HG2 THR 21 5.749 11.310 -4.622 147 H THR 22 H THR 22 1.405 9.267 -5.235 148 HA THR 22 HA THR 22 0.094 6.906 -5.205 149 HB THR 22 HB THR 22 0.642 8.257 -7.841 150 HG1 THR 22 1HG THR 22 -1.337 9.092 -5.983 151 HG21 THR 22 3HG2 THR 22 -1.983 7.217 -6.834 152 HG22 THR 22 1HG2 THR 22 -0.795 6.123 -7.542 153 HG23 THR 22 2HG2 THR 22 -1.446 7.456 -8.496 154 H GLU 23 H GLU 23 3.203 7.506 -6.654 155 HA GLU 23 HA GLU 23 3.272 5.064 -8.165 156 HB2 GLU 23 1HB GLU 23 4.614 7.320 -8.473 157 HB3 GLU 23 2HB GLU 23 5.758 6.529 -7.398 158 HG2 GLU 23 1HG GLU 23 5.931 4.655 -8.946 159 HG3 GLU 23 2HG GLU 23 4.771 5.432 -10.022 160 H GLU 24 H GLU 24 5.149 6.206 -5.350 161 HA GLU 24 HA GLU 24 6.387 3.809 -4.728 162 HB2 GLU 24 1HB GLU 24 5.476 6.002 -2.858 163 HB3 GLU 24 2HB GLU 24 6.589 4.714 -2.418 164 HG2 GLU 24 1HG GLU 24 7.996 5.555 -4.405 165 HG3 GLU 24 2HG GLU 24 7.010 7.011 -4.283 166 H VAL 25 H VAL 25 3.227 5.021 -3.692 167 HA VAL 25 HA VAL 25 2.516 3.155 -1.809 168 HB VAL 25 HB VAL 25 0.819 4.484 -3.916 169 HG11 VAL 25 1HG1 VAL 25 0.123 2.375 -1.991 170 HG12 VAL 25 2HG1 VAL 25 -0.951 3.775 -1.994 171 HG13 VAL 25 3HG1 VAL 25 -0.682 2.865 -3.481 172 HG21 VAL 25 3HG2 VAL 25 1.929 5.299 -1.413 173 HG22 VAL 25 1HG2 VAL 25 0.950 6.229 -2.549 174 HG23 VAL 25 2HG2 VAL 25 0.170 5.276 -1.286 175 H VAL 26 H VAL 26 2.112 2.880 -5.334 176 HA VAL 26 HA VAL 26 1.018 0.257 -5.244 177 HB VAL 26 HB VAL 26 2.340 1.725 -7.530 178 HG11 VAL 26 1HG1 VAL 26 0.975 0.076 -8.905 179 HG12 VAL 26 2HG1 VAL 26 2.415 -0.556 -8.105 180 HG13 VAL 26 3HG1 VAL 26 0.818 -0.864 -7.421 181 HG21 VAL 26 3HG2 VAL 26 -0.567 1.296 -7.513 182 HG22 VAL 26 1HG2 VAL 26 0.035 2.394 -6.271 183 HG23 VAL 26 2HG2 VAL 26 0.369 2.718 -7.972 184 H LEU 27 H LEU 27 4.273 1.544 -5.604 185 HA LEU 27 HA LEU 27 5.594 -0.777 -6.412 186 HB2 LEU 27 1HB LEU 27 6.371 1.729 -5.034 187 HB3 LEU 27 2HB LEU 27 7.502 0.381 -4.953 188 HG LEU 27 HG LEU 27 6.493 1.736 -7.453 189 HD11 LEU 27 1HD1 LEU 27 9.206 1.887 -7.464 190 HD12 LEU 27 2HD1 LEU 27 8.852 2.055 -5.745 191 HD13 LEU 27 3HD1 LEU 27 8.128 3.167 -6.906 192 HD21 LEU 27 3HD2 LEU 27 6.760 -0.531 -8.029 193 HD22 LEU 27 1HD2 LEU 27 8.214 -0.694 -7.044 194 HD23 LEU 27 2HD2 LEU 27 8.257 0.259 -8.528 195 H TRP 28 H TRP 28 5.102 0.488 -3.119 196 HA TRP 28 HA TRP 28 6.356 -1.579 -1.735 197 HB2 TRP 28 1HB TRP 28 5.834 0.325 -0.468 198 HB3 TRP 28 2HB TRP 28 4.156 0.335 -1.003 199 HD1 TRP 28 HD TRP 28 6.496 -1.491 1.441 200 HE1 TRP 28 1HE TRP 28 5.057 -2.621 3.250 201 HE3 TRP 28 3HE TRP 28 1.863 -0.557 -0.508 202 HZ2 TRP 28 2HZ TRP 28 2.319 -3.060 3.781 203 HZ3 TRP 28 3HZ TRP 28 -0.114 -1.367 0.712 204 HH2 TRP 28 HH TRP 28 0.111 -2.592 2.812 205 H LEU 29 H LEU 29 2.990 -1.269 -2.798 206 HA LEU 29 HA LEU 29 2.154 -3.735 -1.628 207 HB2 LEU 29 1HB LEU 29 0.484 -2.109 -1.977 208 HB3 LEU 29 2HB LEU 29 0.947 -1.884 -3.662 209 HG LEU 29 HG LEU 29 0.167 -4.346 -3.940 210 HD11 LEU 29 1HD1 LEU 29 -1.587 -3.643 -1.617 211 HD12 LEU 29 2HD1 LEU 29 -0.077 -4.524 -1.386 212 HD13 LEU 29 3HD1 LEU 29 -1.348 -5.204 -2.402 213 HD21 LEU 29 3HD2 LEU 29 -2.168 -2.615 -3.428 214 HD22 LEU 29 1HD2 LEU 29 -1.715 -3.518 -4.874 215 HD23 LEU 29 2HD2 LEU 29 -0.944 -1.971 -4.524 216 H GLU 30 H GLU 30 3.571 -2.803 -4.661 217 HA GLU 30 HA GLU 30 2.892 -5.225 -6.044 218 HB2 GLU 30 1HB GLU 30 4.633 -2.861 -6.624 219 HB3 GLU 30 2HB GLU 30 4.812 -4.318 -7.591 220 HG2 GLU 30 1HG GLU 30 2.242 -4.133 -7.882 221 HG3 GLU 30 2HG GLU 30 2.487 -2.459 -7.387 222 H GLN 31 H GLN 31 4.695 -4.911 -3.450 223 HA GLN 31 HA GLN 31 6.814 -6.738 -4.369 224 HB2 GLN 31 1HB GLN 31 6.737 -4.689 -2.177 225 HB3 GLN 31 2HB GLN 31 7.876 -6.026 -2.108 226 HG2 GLN 31 1HG GLN 31 8.817 -5.342 -4.252 227 HG3 GLN 31 2HG GLN 31 7.670 -4.006 -4.329 228 HE21 GLN 31 2HE2 GLN 31 9.343 -2.018 -1.947 229 HE22 GLN 31 1HE2 GLN 31 7.810 -2.373 -2.659 230 H LEU 32 H LEU 32 4.175 -6.284 -2.161 231 HA LEU 32 HA LEU 32 4.741 -8.370 -0.354 232 HB2 LEU 32 1HB LEU 32 1.951 -7.599 -1.111 233 HB3 LEU 32 2HB LEU 32 2.581 -8.083 0.462 234 HG LEU 32 HG LEU 32 2.944 -5.427 -0.916 235 HD11 LEU 32 1HD1 LEU 32 0.782 -5.819 0.205 236 HD12 LEU 32 2HD1 LEU 32 1.731 -4.549 0.975 237 HD13 LEU 32 3HD1 LEU 32 1.645 -6.151 1.706 238 HD21 LEU 32 3HD2 LEU 32 3.918 -5.666 1.819 239 HD22 LEU 32 1HD2 LEU 32 4.667 -4.918 0.409 240 HD23 LEU 32 2HD2 LEU 32 4.823 -6.655 0.672 241 H GLY 33 H GLY 33 3.338 -8.329 -3.544 242 HA2 GLY 33 1HA GLY 33 3.742 -11.063 -3.992 243 HA3 GLY 33 2HA GLY 33 2.069 -10.846 -3.499 244 HA PRO 34 HA PRO 34 2.774 -9.992 -8.127 245 HB2 PRO 34 2HB PRO 34 3.395 -12.118 -8.740 246 HB3 PRO 34 1HB PRO 34 1.674 -12.270 -9.114 247 HG2 PRO 34 1HG PRO 34 1.208 -13.365 -7.121 248 HG3 PRO 34 2HG PRO 34 2.854 -13.954 -7.420 249 HD2 PRO 34 1HD PRO 34 2.148 -12.708 -5.122 250 HD3 PRO 34 2HD PRO 34 3.774 -12.572 -5.821 251 H TRP 35 H TRP 35 0.190 -11.176 -6.115 252 HA TRP 35 HA TRP 35 -1.960 -10.700 -7.892 253 HB2 TRP 35 1HB TRP 35 -3.273 -10.565 -5.653 254 HB3 TRP 35 2HB TRP 35 -2.513 -12.088 -6.104 255 HD1 TRP 35 HD TRP 35 -0.652 -13.030 -4.525 256 HE1 TRP 35 1HE TRP 35 0.295 -12.289 -2.249 257 HE3 TRP 35 3HE TRP 35 -2.729 -8.366 -4.260 258 HZ2 TRP 35 2HZ TRP 35 0.177 -10.027 -0.565 259 HZ3 TRP 35 3HZ TRP 35 -2.263 -6.978 -2.283 260 HH2 TRP 35 HH TRP 35 -0.840 -7.793 -0.475 261 H ALA 36 H ALA 36 0.061 -8.599 -6.136 262 HA ALA 36 HA ALA 36 -1.620 -6.462 -5.532 263 HB1 ALA 36 3HB ALA 36 1.291 -6.539 -6.286 264 HB2 ALA 36 1HB ALA 36 0.467 -5.063 -5.782 265 HB3 ALA 36 2HB ALA 36 0.583 -6.430 -4.674 266 H SER 37 H SER 37 -0.174 -7.433 -8.575 267 HA SER 37 HA SER 37 -0.656 -5.049 -10.008 268 HB2 SER 37 1HB SER 37 0.882 -6.562 -10.978 269 HB3 SER 37 2HB SER 37 -0.244 -7.913 -10.858 270 HG SER 37 HG SER 37 -0.433 -7.329 -12.926 271 H LEU 38 H LEU 38 -2.802 -7.250 -8.705 272 HA LEU 38 HA LEU 38 -4.830 -7.002 -10.764 273 HB2 LEU 38 1HB LEU 38 -5.069 -8.196 -8.009 274 HB3 LEU 38 2HB LEU 38 -6.184 -8.409 -9.357 275 HG LEU 38 HG LEU 38 -3.334 -9.370 -9.441 276 HD11 LEU 38 1HD1 LEU 38 -4.227 -10.551 -7.615 277 HD12 LEU 38 2HD1 LEU 38 -4.395 -11.632 -8.998 278 HD13 LEU 38 3HD1 LEU 38 -5.795 -10.743 -8.401 279 HD21 LEU 38 3HD2 LEU 38 -4.004 -9.488 -11.601 280 HD22 LEU 38 1HD2 LEU 38 -5.716 -9.545 -11.184 281 HD23 LEU 38 2HD2 LEU 38 -4.726 -10.998 -11.043 282 H TYR 39 H TYR 39 -3.809 -5.283 -8.017 283 HA TYR 39 HA TYR 39 -6.369 -3.825 -7.929 284 HB2 TYR 39 1HB TYR 39 -4.328 -4.065 -5.710 285 HB3 TYR 39 2HB TYR 39 -5.888 -3.255 -5.614 286 HD1 TYR 39 1HD TYR 39 -4.196 -6.514 -5.766 287 HD2 TYR 39 2HD TYR 39 -7.926 -4.512 -5.344 288 HE1 TYR 39 1HE TYR 39 -5.232 -8.616 -5.021 289 HE2 TYR 39 2HE TYR 39 -8.973 -6.609 -4.597 290 HH TYR 39 HH TYR 39 -8.525 -8.715 -3.818 291 H ARG 40 H ARG 40 -2.895 -3.618 -8.147 292 HA ARG 40 HA ARG 40 -2.181 -1.097 -7.667 293 HB2 ARG 40 1HB ARG 40 -0.553 -1.221 -9.396 294 HB3 ARG 40 2HB ARG 40 -0.802 -2.866 -8.825 295 HG2 ARG 40 1HG ARG 40 -2.287 -3.282 -10.743 296 HG3 ARG 40 2HG ARG 40 -1.954 -1.649 -11.327 297 HD2 ARG 40 1HD ARG 40 0.332 -3.469 -10.742 298 HD3 ARG 40 2HD ARG 40 -0.596 -3.718 -12.219 299 HE ARG 40 HE ARG 40 0.152 -0.996 -11.936 300 HH11 ARG 40 2HH1 ARG 40 1.401 -4.131 -12.791 301 HH12 ARG 40 1HH1 ARG 40 2.644 -3.500 -13.820 302 HH21 ARG 40 1HH2 ARG 40 2.862 -1.236 -14.101 303 HH22 ARG 40 2HH2 ARG 40 1.784 -0.152 -13.288 304 H ASP 41 H ASP 41 -3.897 -2.061 -10.632 305 HA ASP 41 HA ASP 41 -4.081 0.338 -11.929 306 HB2 ASP 41 1HB ASP 41 -5.971 -1.980 -11.716 307 HB3 ASP 41 2HB ASP 41 -6.446 -0.543 -12.618 308 H ARG 42 H ARG 42 -6.230 -0.842 -9.358 309 HA ARG 42 HA ARG 42 -7.933 1.402 -9.322 310 HB2 ARG 42 1HB ARG 42 -7.364 -0.208 -6.858 311 HB3 ARG 42 2HB ARG 42 -8.887 0.482 -7.404 312 HG2 ARG 42 1HG ARG 42 -8.729 -1.190 -9.339 313 HG3 ARG 42 2HG ARG 42 -7.499 -1.992 -8.360 314 HD2 ARG 42 1HD ARG 42 -9.041 -2.386 -6.597 315 HD3 ARG 42 2HD ARG 42 -10.246 -1.326 -7.328 316 HE ARG 42 HE ARG 42 -9.778 -4.078 -7.941 317 HH11 ARG 42 2HH1 ARG 42 -10.874 -1.044 -9.249 318 HH12 ARG 42 1HH1 ARG 42 -11.862 -1.777 -10.468 319 HH21 ARG 42 1HH2 ARG 42 -11.976 -4.060 -10.634 320 HH22 ARG 42 2HH2 ARG 42 -11.075 -5.056 -9.542 321 H PHE 43 H PHE 43 -4.938 0.663 -7.618 322 HA PHE 43 HA PHE 43 -4.979 2.806 -5.804 323 HB2 PHE 43 1HB PHE 43 -2.758 1.161 -6.993 324 HB3 PHE 43 2HB PHE 43 -2.418 2.486 -5.885 325 HD1 PHE 43 2HD PHE 43 -4.054 -0.795 -6.222 326 HD2 PHE 43 1HD PHE 43 -2.792 2.271 -3.554 327 HE1 PHE 43 2HE PHE 43 -4.452 -2.296 -4.314 328 HE2 PHE 43 1HE PHE 43 -3.187 0.775 -1.642 329 HZ PHE 43 HZ PHE 43 -4.019 -1.512 -2.020 330 H LEU 44 H LEU 44 -3.630 2.538 -9.070 331 HA LEU 44 HA LEU 44 -2.547 5.168 -9.114 332 HB2 LEU 44 1HB LEU 44 -3.205 3.189 -11.281 333 HB3 LEU 44 2HB LEU 44 -2.492 4.766 -11.614 334 HG LEU 44 HG LEU 44 -0.699 3.256 -11.644 335 HD11 LEU 44 1HD1 LEU 44 0.695 3.945 -9.813 336 HD12 LEU 44 2HD1 LEU 44 -0.716 4.383 -8.850 337 HD13 LEU 44 3HD1 LEU 44 -0.319 5.303 -10.301 338 HD21 LEU 44 3HD2 LEU 44 -1.870 1.357 -10.629 339 HD22 LEU 44 1HD2 LEU 44 -1.717 2.115 -9.044 340 HD23 LEU 44 2HD2 LEU 44 -0.274 1.597 -9.916 341 H SER 45 H SER 45 -5.396 3.758 -10.736 342 HA SER 45 HA SER 45 -6.415 6.058 -11.868 343 HB2 SER 45 1HB SER 45 -7.230 3.556 -11.952 344 HB3 SER 45 2HB SER 45 -8.308 4.076 -10.657 345 HG SER 45 HG SER 45 -9.342 4.391 -12.613 346 H GLU 46 H GLU 46 -7.079 4.749 -8.630 347 HA GLU 46 HA GLU 46 -8.712 7.005 -7.904 348 HB2 GLU 46 1HB GLU 46 -7.627 4.675 -6.322 349 HB3 GLU 46 2HB GLU 46 -8.631 5.934 -5.617 350 HG2 GLU 46 1HG GLU 46 -9.411 4.046 -7.825 351 HG3 GLU 46 2HG GLU 46 -9.971 4.007 -6.154 352 H ARG 47 H ARG 47 -5.569 6.895 -8.453 353 HA ARG 47 HA ARG 47 -3.685 7.921 -7.653 354 HB2 ARG 47 1HB ARG 47 -5.805 9.963 -6.967 355 HB3 ARG 47 2HB ARG 47 -4.077 10.288 -6.970 356 HG2 ARG 47 1HG ARG 47 -5.411 9.211 -9.417 357 HG3 ARG 47 2HG ARG 47 -5.498 10.931 -9.029 358 HD2 ARG 47 1HD ARG 47 -2.881 9.464 -9.091 359 HD3 ARG 47 2HD ARG 47 -3.599 10.127 -10.559 360 HE ARG 47 HE ARG 47 -2.364 11.596 -8.408 361 HH11 ARG 47 2HH1 ARG 47 -4.549 11.730 -11.115 362 HH12 ARG 47 1HH1 ARG 47 -4.369 13.439 -11.342 363 HH21 ARG 47 1HH2 ARG 47 -2.986 14.640 -9.967 364 HH22 ARG 47 2HH2 ARG 47 -2.119 13.845 -8.698 365 H VAL 48 H VAL 48 -4.821 6.071 -5.804 366 HA VAL 48 HA VAL 48 -4.987 7.130 -3.187 367 HB VAL 48 HB VAL 48 -4.287 4.329 -4.078 368 HG11 VAL 48 1HG1 VAL 48 -3.684 4.106 -1.923 369 HG12 VAL 48 2HG1 VAL 48 -4.534 5.571 -1.426 370 HG13 VAL 48 3HG1 VAL 48 -5.423 4.061 -1.634 371 HG21 VAL 48 3HG2 VAL 48 -6.932 5.073 -2.946 372 HG22 VAL 48 1HG2 VAL 48 -6.585 5.530 -4.614 373 HG23 VAL 48 2HG2 VAL 48 -6.516 3.835 -4.132 374 H ASN 49 H ASN 49 -3.298 8.395 -2.571 375 HA ASN 49 HA ASN 49 -0.567 7.479 -2.944 376 HB2 ASN 49 1HB ASN 49 0.078 9.649 -2.022 377 HB3 ASN 49 2HB ASN 49 -1.119 9.856 -3.297 378 HD21 ASN 49 2HD2 ASN 49 -3.050 11.832 -1.249 379 HD22 ASN 49 1HD2 ASN 49 -2.340 11.522 -2.794 380 H GLY 50 H GLY 50 0.929 7.842 -0.968 381 HA2 GLY 50 1HA GLY 50 0.461 5.908 0.928 382 HA3 GLY 50 2HA GLY 50 1.550 7.266 1.170 383 H ARG 51 H ARG 51 0.180 9.410 1.560 384 HA ARG 51 HA ARG 51 -0.788 9.391 4.089 385 HB2 ARG 51 1HB ARG 51 -0.428 11.350 2.373 386 HB3 ARG 51 2HB ARG 51 -2.157 11.171 2.111 387 HG2 ARG 51 1HG ARG 51 -1.108 11.443 4.890 388 HG3 ARG 51 2HG ARG 51 -1.267 12.870 3.864 389 HD2 ARG 51 1HD ARG 51 -3.669 11.875 3.436 390 HD3 ARG 51 2HD ARG 51 -3.370 11.083 4.983 391 HE ARG 51 HE ARG 51 -4.034 13.806 4.580 392 HH11 ARG 51 2HH1 ARG 51 -2.056 11.723 6.548 393 HH12 ARG 51 1HH1 ARG 51 -2.048 12.798 7.907 394 HH21 ARG 51 1HH2 ARG 51 -3.172 14.791 7.801 395 HH22 ARG 51 2HH2 ARG 51 -4.031 15.229 6.363 396 H LEU 52 H LEU 52 -2.761 9.010 1.155 397 HA LEU 52 HA LEU 52 -5.199 8.631 2.576 398 HB2 LEU 52 1HB LEU 52 -5.269 9.435 0.325 399 HB3 LEU 52 2HB LEU 52 -4.388 8.025 -0.259 400 HG LEU 52 HG LEU 52 -6.330 6.612 0.280 401 HD11 LEU 52 1HD1 LEU 52 -7.747 9.199 0.893 402 HD12 LEU 52 2HD1 LEU 52 -7.211 8.035 2.104 403 HD13 LEU 52 3HD1 LEU 52 -8.436 7.575 0.921 404 HD21 LEU 52 3HD2 LEU 52 -7.047 6.974 -1.791 405 HD22 LEU 52 1HD2 LEU 52 -6.044 8.424 -1.825 406 HD23 LEU 52 2HD2 LEU 52 -7.736 8.535 -1.340 407 H LEU 53 H LEU 53 -2.672 6.510 1.422 408 HA LEU 53 HA LEU 53 -4.075 4.070 1.619 409 HB2 LEU 53 1HB LEU 53 -1.743 4.687 0.577 410 HB3 LEU 53 2HB LEU 53 -1.149 4.223 2.171 411 HG LEU 53 HG LEU 53 -2.717 2.450 0.298 412 HD11 LEU 53 1HD1 LEU 53 0.086 1.892 1.077 413 HD12 LEU 53 2HD1 LEU 53 -0.192 3.161 -0.114 414 HD13 LEU 53 3HD1 LEU 53 -0.773 1.524 -0.419 415 HD21 LEU 53 3HD2 LEU 53 -1.772 0.722 1.998 416 HD22 LEU 53 1HD2 LEU 53 -3.231 1.631 2.394 417 HD23 LEU 53 2HD2 LEU 53 -1.679 2.113 3.080 418 H LEU 54 H LEU 54 -2.282 5.989 3.953 419 HA LEU 54 HA LEU 54 -2.217 4.034 6.008 420 HB2 LEU 54 1HB LEU 54 -1.864 7.006 5.925 421 HB3 LEU 54 2HB LEU 54 -1.928 6.155 7.467 422 HG LEU 54 HG LEU 54 0.084 5.636 5.278 423 HD11 LEU 54 1HD1 LEU 54 1.521 7.065 6.263 424 HD12 LEU 54 2HD1 LEU 54 0.907 6.740 7.884 425 HD13 LEU 54 3HD1 LEU 54 0.036 7.840 6.816 426 HD21 LEU 54 3HD2 LEU 54 -0.701 4.152 7.616 427 HD22 LEU 54 1HD2 LEU 54 0.977 4.679 7.748 428 HD23 LEU 54 2HD2 LEU 54 0.459 3.730 6.355 429 H THR 55 H THR 55 -4.294 6.888 5.518 430 HA THR 55 HA THR 55 -5.959 6.545 7.715 431 HB THR 55 HB THR 55 -7.595 7.919 6.567 432 HG1 THR 55 1HG THR 55 -6.007 7.562 4.225 433 HG21 THR 55 3HG2 THR 55 -5.683 9.562 5.481 434 HG22 THR 55 1HG2 THR 55 -4.747 8.583 6.610 435 HG23 THR 55 2HG2 THR 55 -6.134 9.508 7.185 436 H LEU 56 H LEU 56 -6.314 5.264 4.421 437 HA LEU 56 HA LEU 56 -8.758 4.101 4.480 438 HB2 LEU 56 1HB LEU 56 -6.165 3.095 3.358 439 HB3 LEU 56 2HB LEU 56 -7.662 2.188 3.156 440 HG LEU 56 HG LEU 56 -7.385 5.044 2.256 441 HD11 LEU 56 1HD1 LEU 56 -7.223 2.919 0.234 442 HD12 LEU 56 2HD1 LEU 56 -5.799 3.095 1.259 443 HD13 LEU 56 3HD1 LEU 56 -6.389 4.471 0.327 444 HD21 LEU 56 3HD2 LEU 56 -9.376 4.731 1.162 445 HD22 LEU 56 1HD2 LEU 56 -9.622 3.707 2.577 446 HD23 LEU 56 2HD2 LEU 56 -9.160 2.985 1.035 447 H THR 57 H THR 57 -9.684 2.194 5.205 448 HA THR 57 HA THR 57 -8.114 0.623 7.136 449 HB THR 57 HB THR 57 -10.120 0.439 8.575 450 HG1 THR 57 1HG THR 57 -11.870 1.839 8.167 451 HG21 THR 57 3HG2 THR 57 -10.014 2.700 9.521 452 HG22 THR 57 1HG2 THR 57 -9.221 3.277 8.056 453 HG23 THR 57 2HG2 THR 57 -8.409 2.107 9.096 454 H GLU 58 H GLU 58 -9.069 -1.516 7.604 455 HA GLU 58 HA GLU 58 -9.319 -3.179 5.538 456 HB2 GLU 58 1HB GLU 58 -9.331 -4.028 7.790 457 HB3 GLU 58 2HB GLU 58 -10.903 -3.305 8.106 458 HG2 GLU 58 1HG GLU 58 -11.794 -4.803 6.262 459 HG3 GLU 58 2HG GLU 58 -10.254 -5.654 6.360 460 H GLU 59 H GLU 59 -12.204 -1.746 7.075 461 HA GLU 59 HA GLU 59 -14.172 -2.653 5.441 462 HB2 GLU 59 1HB GLU 59 -14.098 -0.824 7.411 463 HB3 GLU 59 2HB GLU 59 -14.309 0.249 6.034 464 HG2 GLU 59 1HG GLU 59 -16.213 -1.495 5.444 465 HG3 GLU 59 2HG GLU 59 -16.165 -1.749 7.188 466 H GLU 60 H GLU 60 -12.599 0.503 4.887 467 HA GLU 60 HA GLU 60 -13.618 1.096 2.428 468 HB2 GLU 60 1HB GLU 60 -10.845 1.600 3.506 469 HB3 GLU 60 2HB GLU 60 -11.421 2.288 1.994 470 HG2 GLU 60 1HG GLU 60 -12.524 2.774 4.749 471 HG3 GLU 60 2HG GLU 60 -11.654 3.916 3.727 472 H PHE 61 H PHE 61 -10.853 -0.999 3.126 473 HA PHE 61 HA PHE 61 -10.132 -1.486 0.439 474 HB2 PHE 61 1HB PHE 61 -9.596 -2.896 3.036 475 HB3 PHE 61 2HB PHE 61 -9.091 -3.618 1.511 476 HD1 PHE 61 1HD PHE 61 -8.196 -1.331 -0.037 477 HD2 PHE 61 2HD PHE 61 -7.677 -2.189 4.100 478 HE1 PHE 61 1HE PHE 61 -6.155 0.042 -0.012 479 HE2 PHE 61 2HE PHE 61 -5.635 -0.817 4.132 480 HZ PHE 61 HZ PHE 61 -4.872 0.302 2.075 481 H SER 62 H SER 62 -12.563 -2.835 2.520 482 HA SER 62 HA SER 62 -13.059 -5.114 0.804 483 HB2 SER 62 1HB SER 62 -13.382 -5.447 3.170 484 HB3 SER 62 2HB SER 62 -14.483 -4.073 3.262 485 HG SER 62 HG SER 62 -16.050 -5.256 2.452 486 H ARG 63 H ARG 63 -13.809 -1.888 0.685 487 HA ARG 63 HA ARG 63 -16.373 -2.347 -0.680 488 HB2 ARG 63 1HB ARG 63 -15.204 0.264 0.297 489 HB3 ARG 63 2HB ARG 63 -16.816 0.022 -0.363 490 HG2 ARG 63 1HG ARG 63 -15.789 -1.223 2.179 491 HG3 ARG 63 2HG ARG 63 -16.798 0.221 2.088 492 HD2 ARG 63 1HD ARG 63 -17.537 -2.541 1.129 493 HD3 ARG 63 2HD ARG 63 -18.146 -1.744 2.579 494 HE ARG 63 HE ARG 63 -18.626 -0.255 0.173 495 HH11 ARG 63 2HH1 ARG 63 -19.807 -2.796 2.239 496 HH12 ARG 63 1HH1 ARG 63 -21.453 -2.625 1.728 497 HH21 ARG 63 1HH2 ARG 63 -22.012 -1.045 0.166 498 HH22 ARG 63 2HH2 ARG 63 -20.791 -0.019 -0.507 499 H ALA 64 H ALA 64 -16.748 -1.485 -2.737 500 HA ALA 64 HA ALA 64 -14.620 -1.613 -4.549 501 HB1 ALA 64 3HB ALA 64 -16.526 -0.168 -5.888 502 HB2 ALA 64 1HB ALA 64 -16.458 -1.927 -5.779 503 HB3 ALA 64 2HB ALA 64 -17.471 -1.012 -4.662 504 HA PRO 65 HA PRO 65 -14.807 -0.508 -6.845 505 HB2 PRO 65 2HB PRO 65 -13.975 1.131 -8.224 506 HB3 PRO 65 1HB PRO 65 -12.501 0.163 -8.112 507 HG2 PRO 65 1HG PRO 65 -11.565 1.544 -6.497 508 HG3 PRO 65 2HG PRO 65 -12.496 2.737 -7.423 509 HD2 PRO 65 1HD PRO 65 -12.808 2.396 -4.754 510 HD3 PRO 65 2HD PRO 65 -14.144 2.880 -5.818 511 H TYR 66 H TYR 66 -12.291 -0.272 -4.502 512 HA TYR 66 HA TYR 66 -10.594 -2.343 -5.333 513 HB2 TYR 66 1HB TYR 66 -11.089 -1.903 -2.421 514 HB3 TYR 66 2HB TYR 66 -9.569 -2.141 -3.275 515 HD1 TYR 66 1HD TYR 66 -9.610 -0.077 -5.321 516 HD2 TYR 66 2HD TYR 66 -10.919 0.105 -1.276 517 HE1 TYR 66 1HE TYR 66 -9.220 2.351 -5.310 518 HE2 TYR 66 2HE TYR 66 -10.535 2.534 -1.255 519 HH TYR 66 HH TYR 66 -8.789 4.134 -2.863 520 H THR 67 H THR 67 -13.465 -2.387 -3.256 521 HA THR 67 HA THR 67 -14.469 -4.203 -2.193 522 HB THR 67 HB THR 67 -15.468 -3.788 -4.540 523 HG1 THR 67 1HG THR 67 -16.654 -5.906 -4.271 524 HG21 THR 67 3HG2 THR 67 -14.650 -6.557 -5.202 525 HG22 THR 67 1HG2 THR 67 -13.442 -5.294 -5.440 526 HG23 THR 67 2HG2 THR 67 -14.998 -5.193 -6.265 527 H ILE 68 H ILE 68 -11.691 -4.597 -2.068 528 HA ILE 68 HA ILE 68 -10.545 -6.841 -3.056 529 HB ILE 68 HB ILE 68 -10.432 -5.752 -0.254 530 HG12 ILE 68 1HG1 ILE 68 -8.414 -5.774 -2.509 531 HG13 ILE 68 2HG1 ILE 68 -9.460 -4.416 -2.108 532 HG21 ILE 68 1HG2 ILE 68 -9.770 -7.851 0.301 533 HG22 ILE 68 2HG2 ILE 68 -9.272 -8.248 -1.343 534 HG23 ILE 68 3HG2 ILE 68 -8.232 -7.254 -0.322 535 HD11 ILE 68 3HD1 ILE 68 -8.047 -3.711 -0.561 536 HD12 ILE 68 1HD1 ILE 68 -8.010 -5.295 0.212 537 HD13 ILE 68 2HD1 ILE 68 -6.913 -4.939 -1.123 538 H GLU 69 H GLU 69 -11.944 -8.522 -3.506 539 HA GLU 69 HA GLU 69 -13.544 -9.708 -1.412 540 HB2 GLU 69 1HB GLU 69 -13.032 -10.683 -4.228 541 HB3 GLU 69 2HB GLU 69 -14.273 -11.277 -3.133 542 HG2 GLU 69 1HG GLU 69 -15.087 -8.820 -3.119 543 HG3 GLU 69 2HG GLU 69 -14.128 -8.676 -4.591 544 H ASN 70 H ASN 70 -10.765 -9.690 -0.855 545 HA ASN 70 HA ASN 70 -10.369 -12.533 -0.420 546 HB2 ASN 70 1HB ASN 70 -9.239 -11.844 -2.626 547 HB3 ASN 70 2HB ASN 70 -8.101 -10.954 -1.619 548 HD21 ASN 70 2HD2 ASN 70 -6.127 -13.749 -1.277 549 HD22 ASN 70 1HD2 ASN 70 -6.280 -12.052 -1.558 550 H SER 71 H SER 71 -10.286 -12.479 1.740 551 HA SER 71 HA SER 71 -9.434 -10.381 3.344 552 HB2 SER 71 1HB SER 71 -10.728 -12.498 4.007 553 HB3 SER 71 2HB SER 71 -9.150 -13.269 4.161 554 HG SER 71 HG SER 71 -9.999 -10.933 5.535 555 H SER 72 H SER 72 -7.615 -13.248 2.290 556 HA SER 72 HA SER 72 -5.262 -13.002 3.586 557 HB2 SER 72 1HB SER 72 -5.911 -14.639 1.709 558 HB3 SER 72 2HB SER 72 -5.266 -13.428 0.602 559 HG SER 72 HG SER 72 -3.792 -15.150 1.420 560 H HIS 73 H HIS 73 -6.057 -11.242 0.592 561 HA HIS 73 HA HIS 73 -3.716 -9.761 0.377 562 HB2 HIS 73 1HB HIS 73 -6.544 -9.129 -0.466 563 HB3 HIS 73 2HB HIS 73 -5.179 -8.090 -0.865 564 HD1 HIS 73 1HD HIS 73 -7.035 -9.825 -2.863 565 HD2 HIS 73 2HD HIS 73 -3.142 -10.653 -1.672 566 HE1 HIS 73 1HE HIS 73 -6.078 -11.293 -4.667 567 HE2 HIS 73 2HE HIS 73 -3.750 -11.850 -3.883 568 H ARG 74 H ARG 74 -6.804 -8.711 1.826 569 HA ARG 74 HA ARG 74 -6.040 -6.242 2.759 570 HB2 ARG 74 1HB ARG 74 -8.027 -8.267 3.681 571 HB3 ARG 74 2HB ARG 74 -7.693 -6.895 4.730 572 HG2 ARG 74 1HG ARG 74 -8.082 -5.559 2.471 573 HG3 ARG 74 2HG ARG 74 -9.046 -6.990 2.099 574 HD2 ARG 74 1HD ARG 74 -9.338 -5.349 4.610 575 HD3 ARG 74 2HD ARG 74 -10.329 -5.138 3.167 576 HE ARG 74 HE ARG 74 -10.589 -7.182 5.148 577 HH11 ARG 74 2HH1 ARG 74 -11.074 -6.437 1.782 578 HH12 ARG 74 1HH1 ARG 74 -12.330 -7.611 1.569 579 HH21 ARG 74 1HH2 ARG 74 -12.994 -8.915 3.331 580 HH22 ARG 74 2HH2 ARG 74 -12.241 -8.731 4.880 581 H ARG 75 H ARG 75 -5.532 -9.395 4.273 582 HA ARG 75 HA ARG 75 -4.475 -8.435 6.707 583 HB2 ARG 75 1HB ARG 75 -5.283 -10.729 6.447 584 HB3 ARG 75 2HB ARG 75 -3.996 -11.066 5.297 585 HG2 ARG 75 1HG ARG 75 -3.233 -10.098 7.997 586 HG3 ARG 75 2HG ARG 75 -3.816 -11.756 7.835 587 HD2 ARG 75 1HD ARG 75 -2.108 -11.828 5.846 588 HD3 ARG 75 2HD ARG 75 -1.368 -10.479 6.706 589 HE ARG 75 HE ARG 75 -1.676 -12.345 8.638 590 HH11 ARG 75 2HH1 ARG 75 -0.244 -12.401 5.465 591 HH12 ARG 75 1HH1 ARG 75 0.927 -13.611 5.872 592 HH21 ARG 75 1HH2 ARG 75 0.985 -14.486 7.989 593 HH22 ARG 75 2HH2 ARG 75 -0.139 -13.939 9.186 594 H VAL 76 H VAL 76 -2.959 -9.354 3.645 595 HA VAL 76 HA VAL 76 -0.282 -9.056 4.523 596 HB VAL 76 HB VAL 76 -1.374 -8.832 1.715 597 HG11 VAL 76 1HG1 VAL 76 1.174 -9.860 1.577 598 HG12 VAL 76 2HG1 VAL 76 0.711 -8.192 1.231 599 HG13 VAL 76 3HG1 VAL 76 1.307 -8.629 2.833 600 HG21 VAL 76 3HG2 VAL 76 -1.681 -10.990 3.230 601 HG22 VAL 76 1HG2 VAL 76 -1.297 -11.101 1.512 602 HG23 VAL 76 2HG2 VAL 76 -0.019 -11.278 2.715 603 H ILE 77 H ILE 77 -2.486 -6.885 2.778 604 HA ILE 77 HA ILE 77 -0.654 -4.755 2.498 605 HB ILE 77 HB ILE 77 -3.668 -4.808 2.477 606 HG12 ILE 77 1HG1 ILE 77 -1.679 -4.375 0.241 607 HG13 ILE 77 2HG1 ILE 77 -2.407 -5.931 0.624 608 HG21 ILE 77 1HG2 ILE 77 -3.399 -2.509 1.408 609 HG22 ILE 77 2HG2 ILE 77 -3.194 -2.614 3.156 610 HG23 ILE 77 3HG2 ILE 77 -1.780 -2.503 2.108 611 HD11 ILE 77 3HD1 ILE 77 -3.956 -5.371 -0.867 612 HD12 ILE 77 1HD1 ILE 77 -4.588 -4.296 0.379 613 HD13 ILE 77 2HD1 ILE 77 -3.487 -3.671 -0.849 614 H LEU 78 H LEU 78 -3.243 -5.335 4.870 615 HA LEU 78 HA LEU 78 -2.765 -2.994 6.380 616 HB2 LEU 78 1HB LEU 78 -4.207 -5.563 6.870 617 HB3 LEU 78 2HB LEU 78 -3.942 -4.444 8.206 618 HG LEU 78 HG LEU 78 -5.329 -3.645 5.656 619 HD11 LEU 78 1HD1 LEU 78 -6.944 -5.063 6.312 620 HD12 LEU 78 2HD1 LEU 78 -7.308 -3.801 7.489 621 HD13 LEU 78 3HD1 LEU 78 -6.318 -5.184 7.957 622 HD21 LEU 78 3HD2 LEU 78 -6.294 -1.955 7.349 623 HD22 LEU 78 1HD2 LEU 78 -4.650 -1.716 6.758 624 HD23 LEU 78 2HD2 LEU 78 -4.919 -2.413 8.356 625 H THR 79 H THR 79 -1.839 -6.385 6.966 626 HA THR 79 HA THR 79 -0.413 -6.021 9.315 627 HB THR 79 HB THR 79 0.104 -8.000 7.089 628 HG1 THR 79 1HG THR 79 -1.618 -8.901 7.909 629 HG21 THR 79 3HG2 THR 79 1.086 -8.042 9.945 630 HG22 THR 79 1HG2 THR 79 2.083 -7.739 8.523 631 HG23 THR 79 2HG2 THR 79 1.322 -9.314 8.747 632 H GLU 80 H GLU 80 0.903 -6.114 5.998 633 HA GLU 80 HA GLU 80 3.541 -5.515 6.633 634 HB2 GLU 80 1HB GLU 80 1.897 -4.997 4.166 635 HB3 GLU 80 2HB GLU 80 3.593 -4.543 4.255 636 HG2 GLU 80 1HG GLU 80 2.806 -7.331 4.935 637 HG3 GLU 80 2HG GLU 80 2.866 -6.839 3.244 638 H LEU 81 H LEU 81 0.843 -3.334 5.922 639 HA LEU 81 HA LEU 81 2.282 -0.930 5.957 640 HB2 LEU 81 1HB LEU 81 -0.545 -1.731 6.215 641 HB3 LEU 81 2HB LEU 81 -0.130 -0.148 6.870 642 HG LEU 81 HG LEU 81 0.748 -0.785 4.101 643 HD11 LEU 81 1HD1 LEU 81 -1.906 0.400 4.204 644 HD12 LEU 81 2HD1 LEU 81 -1.871 -1.266 4.783 645 HD13 LEU 81 3HD1 LEU 81 -1.274 -0.881 3.169 646 HD21 LEU 81 3HD2 LEU 81 -0.368 1.701 5.394 647 HD22 LEU 81 1HD2 LEU 81 0.348 1.581 3.787 648 HD23 LEU 81 2HD2 LEU 81 1.347 1.326 5.218 649 H GLU 82 H GLU 82 0.876 -2.843 8.549 650 HA GLU 82 HA GLU 82 1.107 -0.950 10.614 651 HB2 GLU 82 1HB GLU 82 -0.223 -2.758 11.183 652 HB3 GLU 82 2HB GLU 82 0.898 -3.930 10.505 653 HG2 GLU 82 1HG GLU 82 2.213 -3.968 12.378 654 HG3 GLU 82 2HG GLU 82 1.742 -2.344 12.875 655 H ARG 83 H ARG 83 3.454 -2.887 8.999 656 HA ARG 83 HA ARG 83 5.440 -2.595 11.099 657 HB2 ARG 83 1HB ARG 83 5.786 -3.722 8.316 658 HB3 ARG 83 2HB ARG 83 6.885 -3.910 9.676 659 HG2 ARG 83 1HG ARG 83 4.777 -4.989 10.813 660 HG3 ARG 83 2HG ARG 83 4.285 -5.244 9.137 661 HD2 ARG 83 1HD ARG 83 6.610 -6.246 8.795 662 HD3 ARG 83 2HD ARG 83 6.721 -6.283 10.554 663 HE ARG 83 HE ARG 83 4.332 -7.509 9.889 664 HH11 ARG 83 2HH1 ARG 83 7.727 -8.021 9.316 665 HH12 ARG 83 1HH1 ARG 83 7.582 -9.744 9.205 666 HH21 ARG 83 1HH2 ARG 83 5.534 -10.741 9.449 667 HH22 ARG 83 2HH2 ARG 83 4.128 -9.776 9.745 668 H VAL 84 H VAL 84 5.289 -1.737 7.636 669 HA VAL 84 HA VAL 84 7.496 -0.162 7.408 670 HB VAL 84 HB VAL 84 6.213 1.196 5.718 671 HG11 VAL 84 1HG1 VAL 84 7.303 -0.586 4.756 672 HG12 VAL 84 2HG1 VAL 84 6.399 -1.782 5.687 673 HG13 VAL 84 3HG1 VAL 84 5.630 -0.949 4.335 674 HG21 VAL 84 3HG2 VAL 84 4.017 1.286 6.429 675 HG22 VAL 84 1HG2 VAL 84 3.936 0.052 5.172 676 HG23 VAL 84 2HG2 VAL 84 3.978 -0.420 6.871 677 H ARG 85 H ARG 85 4.347 0.811 8.705 678 HA ARG 85 HA ARG 85 4.998 3.538 9.079 679 HB2 ARG 85 1HB ARG 85 2.960 3.728 10.223 680 HB3 ARG 85 2HB ARG 85 2.683 2.430 9.068 681 HG2 ARG 85 1HG ARG 85 2.937 0.771 10.779 682 HG3 ARG 85 2HG ARG 85 3.422 1.997 11.952 683 HD2 ARG 85 1HD ARG 85 0.777 2.183 10.564 684 HD3 ARG 85 2HD ARG 85 0.981 1.122 11.957 685 HE ARG 85 HE ARG 85 1.884 3.827 12.378 686 HH11 ARG 85 2HH1 ARG 85 -0.805 1.622 12.546 687 HH12 ARG 85 1HH1 ARG 85 -1.664 2.555 13.727 688 HH21 ARG 85 1HH2 ARG 85 -0.772 4.513 14.514 689 HH22 ARG 85 2HH2 ARG 85 0.763 5.064 13.932 690 H SER 86 H SER 86 5.323 0.681 11.110 691 HA SER 86 HA SER 86 5.822 1.748 13.576 692 HB2 SER 86 1HB SER 86 5.819 -0.706 12.914 693 HB3 SER 86 2HB SER 86 7.496 -0.482 12.414 694 HG SER 86 HG SER 86 7.602 0.474 14.717 695 H GLY 87 H GLY 87 8.206 1.291 10.970 696 HA2 GLY 87 1HA GLY 87 9.701 3.294 10.678 697 HA3 GLY 87 2HA GLY 87 9.977 3.168 12.409 698 HA PRO 88 HA PRO 88 13.378 0.890 10.239 699 HB2 PRO 88 2HB PRO 88 14.744 2.736 10.298 700 HB3 PRO 88 1HB PRO 88 15.367 1.948 11.753 701 HG2 PRO 88 1HG PRO 88 14.102 3.281 13.171 702 HG3 PRO 88 2HG PRO 88 14.405 4.430 11.855 703 HD2 PRO 88 1HD PRO 88 11.909 3.815 12.706 704 HD3 PRO 88 2HD PRO 88 12.267 4.227 11.017 705 H SER 89 H SER 89 13.241 -1.159 10.944 706 HA SER 89 HA SER 89 13.356 -1.724 13.807 707 HB2 SER 89 1HB SER 89 12.763 -3.503 11.432 708 HB3 SER 89 2HB SER 89 12.789 -4.057 13.106 709 HG SER 89 HG SER 89 10.839 -2.748 11.760 710 H SER 90 H SER 90 15.373 -1.773 14.581 711 HA SER 90 HA SER 90 17.553 -2.827 12.972 712 HB2 SER 90 1HB SER 90 17.341 -1.278 15.517 713 HB3 SER 90 2HB SER 90 18.796 -2.237 15.244 714 HG SER 90 HG SER 90 17.887 -0.596 13.172 715 H GLY 91 H GLY 91 18.622 -4.712 13.327 716 HA2 GLY 91 1HA GLY 91 18.494 -6.227 15.709 717 HA3 GLY 91 2HA GLY 91 17.315 -6.846 14.563 Start of MODEL 6 1 H1 GLY 1 H GLY 1 22.531 -3.177 -19.767 2 HA2 GLY 1 1HA GLY 1 23.952 -1.254 -18.277 3 HA3 GLY 1 2HA GLY 1 22.553 -0.482 -19.008 4 H SER 2 H SER 2 20.802 -0.431 -17.783 5 HA SER 2 HA SER 2 20.467 -2.529 -15.740 6 HB2 SER 2 1HB SER 2 19.271 -0.850 -14.383 7 HB3 SER 2 2HB SER 2 20.921 -0.338 -14.736 8 HG SER 2 HG SER 2 19.422 1.351 -15.071 9 H SER 3 H SER 3 19.145 -3.913 -16.844 10 HA SER 3 HA SER 3 16.607 -2.815 -17.856 11 HB2 SER 3 1HB SER 3 18.041 -5.378 -18.590 12 HB3 SER 3 2HB SER 3 16.455 -4.906 -19.202 13 HG SER 3 HG SER 3 17.902 -4.223 -20.705 14 H GLY 4 H GLY 4 15.184 -2.925 -16.215 15 HA2 GLY 4 1HA GLY 4 13.942 -5.260 -15.462 16 HA3 GLY 4 2HA GLY 4 15.203 -5.016 -14.263 17 H SER 5 H SER 5 13.841 -4.633 -12.547 18 HA SER 5 HA SER 5 11.642 -2.850 -12.635 19 HB2 SER 5 1HB SER 5 13.237 -4.007 -10.345 20 HB3 SER 5 2HB SER 5 11.844 -2.953 -10.100 21 HG SER 5 HG SER 5 10.528 -4.488 -10.819 22 H SER 6 H SER 6 11.455 -0.841 -11.387 23 HA SER 6 HA SER 6 13.977 0.673 -11.276 24 HB2 SER 6 1HB SER 6 11.333 1.621 -12.405 25 HB3 SER 6 2HB SER 6 12.734 2.657 -12.131 26 HG SER 6 HG SER 6 12.212 1.159 -14.244 27 H GLY 7 H GLY 7 14.253 1.974 -9.535 28 HA2 GLY 7 1HA GLY 7 13.182 3.443 -7.859 29 HA3 GLY 7 2HA GLY 7 11.978 2.178 -7.658 30 H GLU 8 H GLU 8 13.848 3.465 -5.730 31 HA GLU 8 HA GLU 8 15.770 1.454 -5.020 32 HB2 GLU 8 1HB GLU 8 14.808 3.986 -3.713 33 HB3 GLU 8 2HB GLU 8 15.891 2.884 -2.876 34 HG2 GLU 8 1HG GLU 8 16.530 3.984 -5.590 35 HG3 GLU 8 2HG GLU 8 16.935 4.845 -4.106 36 H HIS 9 H HIS 9 15.447 -0.305 -3.832 37 HA HIS 9 HA HIS 9 12.883 -0.595 -2.435 38 HB2 HIS 9 1HB HIS 9 13.431 -3.034 -2.440 39 HB3 HIS 9 2HB HIS 9 13.290 -2.336 -4.051 40 HD1 HIS 9 1HD HIS 9 15.687 -1.725 -5.200 41 HD2 HIS 9 2HD HIS 9 15.745 -4.387 -2.011 42 HE1 HIS 9 1HE HIS 9 17.900 -2.908 -5.353 43 HE2 HIS 9 2HE HIS 9 17.877 -4.574 -3.464 44 H GLY 10 H GLY 10 13.221 0.342 -0.461 45 HA2 GLY 10 1HA GLY 10 14.224 -1.053 1.646 46 HA3 GLY 10 2HA GLY 10 15.618 -0.158 1.059 47 H LEU 11 H LEU 11 14.916 2.268 0.535 48 HA LEU 11 HA LEU 11 14.594 3.570 2.935 49 HB2 LEU 11 1HB LEU 11 14.578 5.520 1.749 50 HB3 LEU 11 2HB LEU 11 15.239 4.417 0.544 51 HG LEU 11 HG LEU 11 13.677 5.811 -0.567 52 HD11 LEU 11 1HD1 LEU 11 13.462 3.075 -0.542 53 HD12 LEU 11 2HD1 LEU 11 12.702 4.160 -1.706 54 HD13 LEU 11 3HD1 LEU 11 11.797 3.603 -0.299 55 HD21 LEU 11 3HD2 LEU 11 11.765 6.610 0.299 56 HD22 LEU 11 1HD2 LEU 11 12.453 6.096 1.839 57 HD23 LEU 11 2HD2 LEU 11 11.308 5.054 0.994 58 H LEU 12 H LEU 12 12.207 2.000 1.072 59 HA LEU 12 HA LEU 12 9.875 3.332 1.453 60 HB2 LEU 12 1HB LEU 12 10.551 0.428 1.552 61 HB3 LEU 12 2HB LEU 12 8.908 0.944 1.925 62 HG LEU 12 HG LEU 12 10.354 1.491 -0.667 63 HD11 LEU 12 1HD1 LEU 12 8.228 -0.532 0.019 64 HD12 LEU 12 2HD1 LEU 12 9.895 -0.869 -0.446 65 HD13 LEU 12 3HD1 LEU 12 8.782 -0.153 -1.612 66 HD21 LEU 12 3HD2 LEU 12 8.742 3.207 -0.219 67 HD22 LEU 12 1HD2 LEU 12 7.527 2.013 0.237 68 HD23 LEU 12 2HD2 LEU 12 8.073 2.121 -1.437 69 H VAL 13 H VAL 13 11.149 0.966 3.804 70 HA VAL 13 HA VAL 13 9.306 1.517 5.832 71 HB VAL 13 HB VAL 13 10.946 0.490 7.379 72 HG11 VAL 13 1HG1 VAL 13 11.219 -1.673 5.938 73 HG12 VAL 13 2HG1 VAL 13 9.612 -1.117 6.409 74 HG13 VAL 13 3HG1 VAL 13 10.218 -0.793 4.784 75 HG21 VAL 13 3HG2 VAL 13 12.743 0.408 4.956 76 HG22 VAL 13 1HG2 VAL 13 12.980 1.420 6.381 77 HG23 VAL 13 2HG2 VAL 13 13.074 -0.336 6.520 78 H HIS 14 H HIS 14 12.436 2.971 5.098 79 HA HIS 14 HA HIS 14 12.730 4.507 7.422 80 HB2 HIS 14 1HB HIS 14 14.589 4.223 5.914 81 HB3 HIS 14 2HB HIS 14 13.705 4.999 4.603 82 HD1 HIS 14 1HD HIS 14 14.880 7.135 4.181 83 HD2 HIS 14 2HD HIS 14 14.400 6.408 8.243 84 HE1 HIS 14 1HE HIS 14 15.753 9.190 5.339 85 HE2 HIS 14 2HE HIS 14 15.531 8.691 7.798 86 H LYS 15 H LYS 15 11.789 5.773 4.223 87 HA LYS 15 HA LYS 15 10.724 8.173 5.277 88 HB2 LYS 15 1HB LYS 15 11.473 8.177 3.014 89 HB3 LYS 15 2HB LYS 15 10.438 6.817 2.598 90 HG2 LYS 15 1HG LYS 15 8.504 8.419 3.252 91 HG3 LYS 15 2HG LYS 15 9.716 9.682 3.024 92 HD2 LYS 15 1HD LYS 15 10.162 8.662 0.752 93 HD3 LYS 15 2HD LYS 15 8.716 7.683 1.006 94 HE2 LYS 15 1HE LYS 15 7.313 9.561 1.015 95 HE3 LYS 15 2HE LYS 15 8.657 10.672 1.268 96 HZ1 LYS 15 3HZ LYS 15 7.906 10.801 -0.997 97 HZ2 LYS 15 1HZ LYS 15 8.090 9.132 -1.206 98 HZ3 LYS 15 2HZ LYS 15 9.450 10.110 -0.971 99 H ALA 16 H ALA 16 8.889 8.460 6.340 100 HA ALA 16 HA ALA 16 7.029 6.620 7.041 101 HB1 ALA 16 3HB ALA 16 5.755 8.335 7.853 102 HB2 ALA 16 1HB ALA 16 7.287 9.178 7.617 103 HB3 ALA 16 2HB ALA 16 5.997 9.340 6.424 104 H VAL 17 H VAL 17 5.002 5.936 6.308 105 HA VAL 17 HA VAL 17 4.781 5.644 3.476 106 HB VAL 17 HB VAL 17 2.817 4.915 5.653 107 HG11 VAL 17 1HG1 VAL 17 2.604 3.314 3.296 108 HG12 VAL 17 2HG1 VAL 17 1.378 4.320 4.070 109 HG13 VAL 17 3HG1 VAL 17 2.457 5.015 2.859 110 HG21 VAL 17 3HG2 VAL 17 4.404 2.881 4.196 111 HG22 VAL 17 1HG2 VAL 17 5.253 3.866 5.388 112 HG23 VAL 17 2HG2 VAL 17 3.855 2.905 5.872 113 H ASP 18 H ASP 18 3.286 7.695 5.884 114 HA ASP 18 HA ASP 18 1.126 8.617 4.305 115 HB2 ASP 18 1HB ASP 18 0.751 10.214 5.995 116 HB3 ASP 18 2HB ASP 18 1.446 8.834 6.840 117 H LYS 19 H LYS 19 4.359 8.977 3.811 118 HA LYS 19 HA LYS 19 4.032 11.593 2.497 119 HB2 LYS 19 1HB LYS 19 6.313 10.310 3.910 120 HB3 LYS 19 2HB LYS 19 6.693 11.313 2.515 121 HG2 LYS 19 1HG LYS 19 6.847 12.697 4.425 122 HG3 LYS 19 2HG LYS 19 5.357 13.144 3.591 123 HD2 LYS 19 1HD LYS 19 4.014 12.042 5.180 124 HD3 LYS 19 2HD LYS 19 5.388 11.156 5.846 125 HE2 LYS 19 1HE LYS 19 4.992 14.142 6.015 126 HE3 LYS 19 2HE LYS 19 4.639 12.996 7.308 127 HZ1 LYS 19 3HZ LYS 19 6.770 12.925 7.885 128 HZ2 LYS 19 1HZ LYS 19 7.021 14.257 6.873 129 HZ3 LYS 19 2HZ LYS 19 7.292 12.692 6.293 130 H TRP 20 H TRP 20 3.957 8.415 1.823 131 HA TRP 20 HA TRP 20 5.679 8.207 -0.428 132 HB2 TRP 20 1HB TRP 20 3.259 6.601 0.411 133 HB3 TRP 20 2HB TRP 20 4.272 6.189 -0.970 134 HD1 TRP 20 HD TRP 20 6.450 7.481 1.693 135 HE1 TRP 20 1HE TRP 20 7.578 5.552 2.970 136 HE3 TRP 20 3HE TRP 20 3.600 3.598 -0.019 137 HZ2 TRP 20 2HZ TRP 20 7.298 2.754 3.218 138 HZ3 TRP 20 3HZ TRP 20 4.095 1.326 0.787 139 HH2 TRP 20 HH TRP 20 5.907 0.915 2.371 140 H THR 21 H THR 21 4.864 7.792 -2.662 141 HA THR 21 HA THR 21 2.679 9.661 -3.314 142 HB THR 21 HB THR 21 3.842 9.884 -5.559 143 HG1 THR 21 1HG THR 21 5.930 8.628 -4.077 144 HG21 THR 21 3HG2 THR 21 5.284 10.849 -3.087 145 HG22 THR 21 1HG2 THR 21 3.947 11.658 -3.903 146 HG23 THR 21 2HG2 THR 21 5.506 11.500 -4.711 147 H THR 22 H THR 22 1.438 9.171 -5.243 148 HA THR 22 HA THR 22 0.199 6.788 -5.326 149 HB THR 22 HB THR 22 0.796 8.054 -7.975 150 HG1 THR 22 1HG THR 22 -0.561 9.761 -7.473 151 HG21 THR 22 3HG2 THR 22 -1.834 7.198 -6.785 152 HG22 THR 22 1HG2 THR 22 -0.771 6.086 -7.646 153 HG23 THR 22 2HG2 THR 22 -1.447 7.484 -8.481 154 H GLU 23 H GLU 23 3.370 7.453 -6.575 155 HA GLU 23 HA GLU 23 3.551 5.038 -8.131 156 HB2 GLU 23 1HB GLU 23 4.863 7.331 -8.340 157 HB3 GLU 23 2HB GLU 23 5.977 6.530 -7.240 158 HG2 GLU 23 1HG GLU 23 5.997 4.609 -8.899 159 HG3 GLU 23 2HG GLU 23 5.195 5.712 -10.017 160 H GLU 24 H GLU 24 5.367 6.175 -5.274 161 HA GLU 24 HA GLU 24 6.552 3.758 -4.621 162 HB2 GLU 24 1HB GLU 24 5.687 6.020 -2.815 163 HB3 GLU 24 2HB GLU 24 6.710 4.687 -2.297 164 HG2 GLU 24 1HG GLU 24 7.329 6.972 -4.089 165 HG3 GLU 24 2HG GLU 24 8.280 6.270 -2.781 166 H VAL 25 H VAL 25 3.380 5.013 -3.722 167 HA VAL 25 HA VAL 25 2.632 3.164 -1.802 168 HB VAL 25 HB VAL 25 0.952 4.543 -3.894 169 HG11 VAL 25 1HG1 VAL 25 -0.784 3.284 -3.325 170 HG12 VAL 25 2HG1 VAL 25 0.236 2.353 -2.226 171 HG13 VAL 25 3HG1 VAL 25 -0.601 3.794 -1.647 172 HG21 VAL 25 3HG2 VAL 25 0.646 5.246 -1.073 173 HG22 VAL 25 1HG2 VAL 25 2.254 5.572 -1.720 174 HG23 VAL 25 2HG2 VAL 25 0.834 6.283 -2.486 175 H VAL 26 H VAL 26 2.226 2.956 -5.330 176 HA VAL 26 HA VAL 26 1.065 0.351 -5.258 177 HB VAL 26 HB VAL 26 2.329 1.858 -7.551 178 HG11 VAL 26 1HG1 VAL 26 1.245 0.276 -9.019 179 HG12 VAL 26 2HG1 VAL 26 2.301 -0.588 -7.900 180 HG13 VAL 26 3HG1 VAL 26 0.556 -0.580 -7.640 181 HG21 VAL 26 3HG2 VAL 26 -0.577 1.437 -7.465 182 HG22 VAL 26 1HG2 VAL 26 0.059 2.498 -6.207 183 HG23 VAL 26 2HG2 VAL 26 0.351 2.870 -7.906 184 H LEU 27 H LEU 27 4.320 1.599 -5.530 185 HA LEU 27 HA LEU 27 5.587 -0.730 -6.474 186 HB2 LEU 27 1HB LEU 27 6.440 1.752 -5.096 187 HB3 LEU 27 2HB LEU 27 7.555 0.388 -5.069 188 HG LEU 27 HG LEU 27 6.474 1.767 -7.526 189 HD11 LEU 27 1HD1 LEU 27 9.188 1.933 -7.604 190 HD12 LEU 27 2HD1 LEU 27 8.870 2.106 -5.878 191 HD13 LEU 27 3HD1 LEU 27 8.113 3.208 -7.029 192 HD21 LEU 27 3HD2 LEU 27 8.121 -0.703 -7.144 193 HD22 LEU 27 1HD2 LEU 27 8.315 0.293 -8.586 194 HD23 LEU 27 2HD2 LEU 27 6.749 -0.429 -8.218 195 H TRP 28 H TRP 28 5.266 0.525 -3.154 196 HA TRP 28 HA TRP 28 6.508 -1.595 -1.842 197 HB2 TRP 28 1HB TRP 28 6.131 0.274 -0.503 198 HB3 TRP 28 2HB TRP 28 4.454 0.430 -1.019 199 HD1 TRP 28 HD TRP 28 6.662 -1.640 1.356 200 HE1 TRP 28 1HE TRP 28 5.154 -2.681 3.163 201 HE3 TRP 28 3HE TRP 28 2.102 -0.267 -0.503 202 HZ2 TRP 28 2HZ TRP 28 2.396 -2.892 3.726 203 HZ3 TRP 28 3HZ TRP 28 0.078 -0.928 0.730 204 HH2 TRP 28 HH TRP 28 0.224 -2.214 2.800 205 H LEU 29 H LEU 29 3.151 -1.194 -2.860 206 HA LEU 29 HA LEU 29 2.248 -3.611 -1.621 207 HB2 LEU 29 1HB LEU 29 0.623 -1.939 -1.944 208 HB3 LEU 29 2HB LEU 29 1.061 -1.730 -3.639 209 HG LEU 29 HG LEU 29 0.204 -4.189 -3.865 210 HD11 LEU 29 1HD1 LEU 29 -0.073 -4.522 -1.438 211 HD12 LEU 29 2HD1 LEU 29 -1.574 -4.757 -2.334 212 HD13 LEU 29 3HD1 LEU 29 -1.311 -3.267 -1.428 213 HD21 LEU 29 3HD2 LEU 29 -2.162 -2.575 -3.500 214 HD22 LEU 29 1HD2 LEU 29 -1.441 -3.197 -4.984 215 HD23 LEU 29 2HD2 LEU 29 -0.884 -1.666 -4.309 216 H GLU 30 H GLU 30 3.719 -2.786 -4.638 217 HA GLU 30 HA GLU 30 2.894 -5.179 -6.011 218 HB2 GLU 30 1HB GLU 30 4.665 -2.860 -6.630 219 HB3 GLU 30 2HB GLU 30 4.880 -4.340 -7.555 220 HG2 GLU 30 1HG GLU 30 2.406 -4.242 -8.046 221 HG3 GLU 30 2HG GLU 30 2.432 -2.614 -7.371 222 H GLN 31 H GLN 31 4.644 -5.023 -3.420 223 HA GLN 31 HA GLN 31 6.709 -6.906 -4.355 224 HB2 GLN 31 1HB GLN 31 6.741 -4.874 -2.139 225 HB3 GLN 31 2HB GLN 31 7.849 -6.240 -2.138 226 HG2 GLN 31 1HG GLN 31 8.787 -5.530 -4.246 227 HG3 GLN 31 2HG GLN 31 7.620 -4.213 -4.350 228 HE21 GLN 31 2HE2 GLN 31 9.306 -2.097 -2.134 229 HE22 GLN 31 1HE2 GLN 31 7.813 -2.453 -2.926 230 H LEU 32 H LEU 32 4.129 -6.309 -2.102 231 HA LEU 32 HA LEU 32 4.597 -8.385 -0.277 232 HB2 LEU 32 1HB LEU 32 1.829 -7.599 -1.080 233 HB3 LEU 32 2HB LEU 32 2.453 -8.011 0.516 234 HG LEU 32 HG LEU 32 2.809 -5.425 -0.989 235 HD11 LEU 32 1HD1 LEU 32 0.676 -5.848 0.254 236 HD12 LEU 32 2HD1 LEU 32 1.595 -4.448 0.808 237 HD13 LEU 32 3HD1 LEU 32 1.633 -5.950 1.732 238 HD21 LEU 32 3HD2 LEU 32 4.573 -4.865 0.258 239 HD22 LEU 32 1HD2 LEU 32 4.724 -6.586 0.614 240 HD23 LEU 32 2HD2 LEU 32 3.854 -5.529 1.726 241 H GLY 33 H GLY 33 3.303 -8.394 -3.504 242 HA2 GLY 33 1HA GLY 33 3.619 -11.154 -3.852 243 HA3 GLY 33 2HA GLY 33 1.937 -10.858 -3.439 244 HA PRO 34 HA PRO 34 2.870 -10.178 -8.055 245 HB2 PRO 34 2HB PRO 34 3.431 -12.344 -8.578 246 HB3 PRO 34 1HB PRO 34 1.723 -12.441 -9.021 247 HG2 PRO 34 1HG PRO 34 1.130 -13.455 -7.018 248 HG3 PRO 34 2HG PRO 34 2.762 -14.115 -7.228 249 HD2 PRO 34 1HD PRO 34 2.009 -12.772 -5.001 250 HD3 PRO 34 2HD PRO 34 3.668 -12.720 -5.632 251 H TRP 35 H TRP 35 0.140 -11.281 -6.170 252 HA TRP 35 HA TRP 35 -1.893 -10.720 -8.053 253 HB2 TRP 35 1HB TRP 35 -3.367 -10.627 -5.972 254 HB3 TRP 35 2HB TRP 35 -2.482 -12.126 -6.243 255 HD1 TRP 35 HD TRP 35 -1.154 -13.003 -4.234 256 HE1 TRP 35 1HE TRP 35 -0.353 -12.028 -1.991 257 HE3 TRP 35 3HE TRP 35 -2.554 -8.135 -4.921 258 HZ2 TRP 35 2HZ TRP 35 -0.320 -9.525 -0.685 259 HZ3 TRP 35 3HZ TRP 35 -2.102 -6.513 -3.127 260 HH2 TRP 35 HH TRP 35 -1.009 -7.196 -1.053 261 H ALA 36 H ALA 36 0.092 -8.694 -6.164 262 HA ALA 36 HA ALA 36 -1.515 -6.508 -5.609 263 HB1 ALA 36 3HB ALA 36 0.670 -5.186 -5.958 264 HB2 ALA 36 1HB ALA 36 0.622 -6.423 -4.702 265 HB3 ALA 36 2HB ALA 36 1.399 -6.765 -6.248 266 H SER 37 H SER 37 0.079 -7.406 -8.626 267 HA SER 37 HA SER 37 -0.408 -5.029 -10.042 268 HB2 SER 37 1HB SER 37 1.153 -6.859 -10.754 269 HB3 SER 37 2HB SER 37 -0.256 -7.819 -11.205 270 HG SER 37 HG SER 37 -0.758 -5.732 -12.462 271 H LEU 38 H LEU 38 -2.576 -7.284 -8.853 272 HA LEU 38 HA LEU 38 -4.553 -6.945 -10.956 273 HB2 LEU 38 1HB LEU 38 -4.774 -8.358 -8.303 274 HB3 LEU 38 2HB LEU 38 -5.938 -8.435 -9.624 275 HG LEU 38 HG LEU 38 -3.107 -9.390 -9.949 276 HD11 LEU 38 1HD1 LEU 38 -3.831 -11.621 -9.403 277 HD12 LEU 38 2HD1 LEU 38 -5.469 -11.052 -9.086 278 HD13 LEU 38 3HD1 LEU 38 -4.144 -10.556 -8.033 279 HD21 LEU 38 3HD2 LEU 38 -4.660 -10.922 -11.526 280 HD22 LEU 38 1HD2 LEU 38 -3.922 -9.409 -12.052 281 HD23 LEU 38 2HD2 LEU 38 -5.603 -9.431 -11.519 282 H TYR 39 H TYR 39 -3.583 -5.331 -8.162 283 HA TYR 39 HA TYR 39 -6.196 -3.983 -7.955 284 HB2 TYR 39 1HB TYR 39 -4.085 -4.260 -5.806 285 HB3 TYR 39 2HB TYR 39 -5.641 -3.456 -5.631 286 HD1 TYR 39 1HD TYR 39 -4.056 -6.754 -6.249 287 HD2 TYR 39 2HD TYR 39 -7.569 -4.675 -5.049 288 HE1 TYR 39 1HE TYR 39 -5.069 -8.883 -5.549 289 HE2 TYR 39 2HE TYR 39 -8.591 -6.798 -4.344 290 HH TYR 39 HH TYR 39 -8.375 -9.007 -4.260 291 H ARG 40 H ARG 40 -2.783 -3.643 -8.415 292 HA ARG 40 HA ARG 40 -2.153 -1.093 -7.810 293 HB2 ARG 40 1HB ARG 40 -0.498 -1.157 -9.456 294 HB3 ARG 40 2HB ARG 40 -0.800 -2.856 -9.119 295 HG2 ARG 40 1HG ARG 40 -2.333 -2.886 -11.098 296 HG3 ARG 40 2HG ARG 40 -1.767 -1.257 -11.473 297 HD2 ARG 40 1HD ARG 40 0.597 -2.439 -11.223 298 HD3 ARG 40 2HD ARG 40 -0.351 -3.859 -11.662 299 HE ARG 40 HE ARG 40 -0.481 -3.057 -13.796 300 HH11 ARG 40 2HH1 ARG 40 0.419 -0.452 -11.667 301 HH12 ARG 40 1HH1 ARG 40 0.703 0.674 -12.953 302 HH21 ARG 40 1HH2 ARG 40 0.400 0.030 -15.131 303 HH22 ARG 40 2HH2 ARG 40 -0.110 -1.583 -15.497 304 H ASP 41 H ASP 41 -4.004 -2.094 -10.668 305 HA ASP 41 HA ASP 41 -4.290 0.335 -11.940 306 HB2 ASP 41 1HB ASP 41 -6.268 -1.936 -11.679 307 HB3 ASP 41 2HB ASP 41 -6.481 -0.577 -12.780 308 H ARG 42 H ARG 42 -6.235 -0.985 -9.285 309 HA ARG 42 HA ARG 42 -8.055 1.183 -9.164 310 HB2 ARG 42 1HB ARG 42 -7.302 -0.666 -6.899 311 HB3 ARG 42 2HB ARG 42 -8.801 0.234 -7.088 312 HG2 ARG 42 1HG ARG 42 -8.976 -1.172 -9.305 313 HG3 ARG 42 2HG ARG 42 -7.901 -2.261 -8.425 314 HD2 ARG 42 1HD ARG 42 -9.471 -2.565 -6.689 315 HD3 ARG 42 2HD ARG 42 -10.450 -1.203 -7.233 316 HE ARG 42 HE ARG 42 -11.472 -2.584 -8.750 317 HH11 ARG 42 2HH1 ARG 42 -8.601 -4.134 -7.534 318 HH12 ARG 42 1HH1 ARG 42 -8.950 -5.658 -8.281 319 HH21 ARG 42 1HH2 ARG 42 -10.850 -5.914 -9.535 320 HH22 ARG 42 2HH2 ARG 42 -11.942 -4.586 -9.738 321 H PHE 43 H PHE 43 -4.892 0.622 -7.821 322 HA PHE 43 HA PHE 43 -5.004 2.689 -5.857 323 HB2 PHE 43 1HB PHE 43 -2.773 1.083 -7.080 324 HB3 PHE 43 2HB PHE 43 -2.436 2.414 -5.978 325 HD1 PHE 43 2HD PHE 43 -4.853 -0.434 -6.076 326 HD2 PHE 43 1HD PHE 43 -1.944 1.737 -3.852 327 HE1 PHE 43 2HE PHE 43 -5.199 -1.938 -4.160 328 HE2 PHE 43 1HE PHE 43 -2.285 0.235 -1.934 329 HZ PHE 43 HZ PHE 43 -3.915 -1.604 -2.085 330 H LEU 44 H LEU 44 -3.529 2.453 -9.084 331 HA LEU 44 HA LEU 44 -2.550 5.103 -9.139 332 HB2 LEU 44 1HB LEU 44 -3.157 3.093 -11.286 333 HB3 LEU 44 2HB LEU 44 -2.540 4.701 -11.659 334 HG LEU 44 HG LEU 44 -0.714 3.159 -11.700 335 HD11 LEU 44 1HD1 LEU 44 0.782 4.215 -10.219 336 HD12 LEU 44 2HD1 LEU 44 -0.496 4.577 -9.059 337 HD13 LEU 44 3HD1 LEU 44 -0.441 5.427 -10.603 338 HD21 LEU 44 3HD2 LEU 44 -1.630 2.339 -8.947 339 HD22 LEU 44 1HD2 LEU 44 -0.097 1.860 -9.675 340 HD23 LEU 44 2HD2 LEU 44 -1.618 1.348 -10.407 341 H SER 45 H SER 45 -5.403 3.650 -10.709 342 HA SER 45 HA SER 45 -6.463 5.915 -11.868 343 HB2 SER 45 1HB SER 45 -7.265 3.402 -11.861 344 HB3 SER 45 2HB SER 45 -8.327 3.965 -10.570 345 HG SER 45 HG SER 45 -8.538 5.760 -12.433 346 H GLU 46 H GLU 46 -7.067 4.677 -8.589 347 HA GLU 46 HA GLU 46 -8.666 6.972 -7.889 348 HB2 GLU 46 1HB GLU 46 -7.644 4.613 -6.312 349 HB3 GLU 46 2HB GLU 46 -8.564 5.918 -5.578 350 HG2 GLU 46 1HG GLU 46 -9.504 4.099 -7.783 351 HG3 GLU 46 2HG GLU 46 -9.997 4.037 -6.091 352 H ARG 47 H ARG 47 -5.577 6.886 -8.512 353 HA ARG 47 HA ARG 47 -3.664 7.892 -7.756 354 HB2 ARG 47 1HB ARG 47 -5.738 9.910 -6.879 355 HB3 ARG 47 2HB ARG 47 -4.014 10.232 -7.010 356 HG2 ARG 47 1HG ARG 47 -5.867 9.490 -9.265 357 HG3 ARG 47 2HG ARG 47 -5.186 11.086 -8.943 358 HD2 ARG 47 1HD ARG 47 -2.913 9.735 -9.063 359 HD3 ARG 47 2HD ARG 47 -3.892 8.646 -10.045 360 HE ARG 47 HE ARG 47 -3.802 10.178 -11.730 361 HH11 ARG 47 2HH1 ARG 47 -3.074 11.785 -8.729 362 HH12 ARG 47 1HH1 ARG 47 -2.687 13.296 -9.481 363 HH21 ARG 47 1HH2 ARG 47 -2.813 13.511 -11.759 364 HH22 ARG 47 2HH2 ARG 47 -3.294 12.163 -12.733 365 H VAL 48 H VAL 48 -4.774 5.988 -5.913 366 HA VAL 48 HA VAL 48 -4.928 6.845 -3.274 367 HB VAL 48 HB VAL 48 -3.784 4.230 -4.268 368 HG11 VAL 48 1HG1 VAL 48 -5.152 3.941 -1.817 369 HG12 VAL 48 2HG1 VAL 48 -3.427 3.739 -2.132 370 HG13 VAL 48 3HG1 VAL 48 -4.056 5.311 -1.638 371 HG21 VAL 48 3HG2 VAL 48 -5.963 3.341 -4.227 372 HG22 VAL 48 1HG2 VAL 48 -6.605 4.740 -3.365 373 HG23 VAL 48 2HG2 VAL 48 -6.115 4.892 -5.053 374 H ASN 49 H ASN 49 -3.453 8.263 -2.507 375 HA ASN 49 HA ASN 49 -0.610 7.765 -2.928 376 HB2 ASN 49 1HB ASN 49 -0.232 9.979 -2.170 377 HB3 ASN 49 2HB ASN 49 -1.682 10.066 -3.166 378 HD21 ASN 49 2HD2 ASN 49 -3.824 10.966 -0.559 379 HD22 ASN 49 1HD2 ASN 49 -3.692 10.352 -2.169 380 H GLY 50 H GLY 50 0.890 7.861 -1.106 381 HA2 GLY 50 1HA GLY 50 0.629 5.985 0.788 382 HA3 GLY 50 2HA GLY 50 1.540 7.457 1.088 383 H ARG 51 H ARG 51 -0.001 9.394 1.630 384 HA ARG 51 HA ARG 51 -1.029 9.074 4.125 385 HB2 ARG 51 1HB ARG 51 -0.733 11.207 2.620 386 HB3 ARG 51 2HB ARG 51 -2.437 10.952 2.270 387 HG2 ARG 51 1HG ARG 51 -1.545 10.987 5.109 388 HG3 ARG 51 2HG ARG 51 -1.677 12.512 4.229 389 HD2 ARG 51 1HD ARG 51 -4.010 11.892 3.630 390 HD3 ARG 51 2HD ARG 51 -3.852 10.469 4.659 391 HE ARG 51 HE ARG 51 -3.187 12.633 6.236 392 HH11 ARG 51 2HH1 ARG 51 -5.963 11.552 4.434 393 HH12 ARG 51 1HH1 ARG 51 -7.107 12.314 5.488 394 HH21 ARG 51 1HH2 ARG 51 -6.379 13.503 7.305 395 HH22 ARG 51 2HH2 ARG 51 -4.685 13.641 7.631 396 H LEU 52 H LEU 52 -2.832 8.780 1.082 397 HA LEU 52 HA LEU 52 -5.344 8.263 2.256 398 HB2 LEU 52 1HB LEU 52 -4.908 8.944 -0.116 399 HB3 LEU 52 2HB LEU 52 -4.370 7.295 -0.425 400 HG LEU 52 HG LEU 52 -6.728 7.875 -1.141 401 HD11 LEU 52 1HD1 LEU 52 -6.424 5.599 0.811 402 HD12 LEU 52 2HD1 LEU 52 -5.884 5.574 -0.868 403 HD13 LEU 52 3HD1 LEU 52 -7.602 5.722 -0.496 404 HD21 LEU 52 3HD2 LEU 52 -8.338 8.420 0.336 405 HD22 LEU 52 1HD2 LEU 52 -6.977 8.974 1.312 406 HD23 LEU 52 2HD2 LEU 52 -7.680 7.382 1.602 407 H LEU 53 H LEU 53 -2.868 6.067 0.950 408 HA LEU 53 HA LEU 53 -4.141 3.652 1.347 409 HB2 LEU 53 1HB LEU 53 -1.842 4.201 0.308 410 HB3 LEU 53 2HB LEU 53 -1.224 3.987 1.945 411 HG LEU 53 HG LEU 53 -2.609 1.905 0.257 412 HD11 LEU 53 1HD1 LEU 53 0.027 1.285 1.257 413 HD12 LEU 53 2HD1 LEU 53 0.039 2.745 0.269 414 HD13 LEU 53 3HD1 LEU 53 -0.593 1.238 -0.393 415 HD21 LEU 53 3HD2 LEU 53 -3.275 1.329 2.392 416 HD22 LEU 53 1HD2 LEU 53 -1.807 1.962 3.135 417 HD23 LEU 53 2HD2 LEU 53 -1.755 0.447 2.234 418 H LEU 54 H LEU 54 -2.377 5.629 3.674 419 HA LEU 54 HA LEU 54 -2.412 3.744 5.789 420 HB2 LEU 54 1HB LEU 54 -1.935 6.677 5.562 421 HB3 LEU 54 2HB LEU 54 -2.193 5.978 7.160 422 HG LEU 54 HG LEU 54 -0.028 5.126 5.238 423 HD11 LEU 54 1HD1 LEU 54 1.274 6.229 7.311 424 HD12 LEU 54 2HD1 LEU 54 -0.163 7.251 7.278 425 HD13 LEU 54 3HD1 LEU 54 0.853 7.111 5.843 426 HD21 LEU 54 3HD2 LEU 54 0.706 4.362 7.755 427 HD22 LEU 54 1HD2 LEU 54 -0.042 3.312 6.551 428 HD23 LEU 54 2HD2 LEU 54 -1.037 4.090 7.781 429 H THR 55 H THR 55 -4.409 6.640 5.200 430 HA THR 55 HA THR 55 -6.132 6.449 7.333 431 HB THR 55 HB THR 55 -7.756 7.704 6.046 432 HG1 THR 55 1HG THR 55 -6.159 7.064 3.770 433 HG21 THR 55 3HG2 THR 55 -5.990 9.339 4.883 434 HG22 THR 55 1HG2 THR 55 -4.873 8.376 5.849 435 HG23 THR 55 2HG2 THR 55 -6.189 9.250 6.633 436 H LEU 56 H LEU 56 -6.065 4.534 4.416 437 HA LEU 56 HA LEU 56 -8.650 3.435 4.556 438 HB2 LEU 56 1HB LEU 56 -6.096 2.323 3.410 439 HB3 LEU 56 2HB LEU 56 -7.682 1.589 3.184 440 HG LEU 56 HG LEU 56 -7.018 4.386 2.284 441 HD11 LEU 56 1HD1 LEU 56 -5.676 2.380 1.261 442 HD12 LEU 56 2HD1 LEU 56 -6.353 3.634 0.224 443 HD13 LEU 56 3HD1 LEU 56 -7.185 2.089 0.395 444 HD21 LEU 56 3HD2 LEU 56 -9.415 3.694 2.647 445 HD22 LEU 56 1HD2 LEU 56 -9.188 2.523 1.348 446 HD23 LEU 56 2HD2 LEU 56 -9.016 4.247 1.020 447 H THR 57 H THR 57 -9.516 1.838 5.739 448 HA THR 57 HA THR 57 -7.729 0.377 7.574 449 HB THR 57 HB THR 57 -9.591 0.221 9.150 450 HG1 THR 57 1HG THR 57 -11.068 2.048 7.580 451 HG21 THR 57 3HG2 THR 57 -9.924 2.912 9.263 452 HG22 THR 57 1HG2 THR 57 -8.485 2.797 8.250 453 HG23 THR 57 2HG2 THR 57 -8.495 2.065 9.855 454 H GLU 58 H GLU 58 -8.709 -1.736 8.341 455 HA GLU 58 HA GLU 58 -8.955 -3.533 6.287 456 HB2 GLU 58 1HB GLU 58 -8.524 -4.437 8.406 457 HB3 GLU 58 2HB GLU 58 -9.900 -3.621 9.136 458 HG2 GLU 58 1HG GLU 58 -11.379 -5.091 7.735 459 HG3 GLU 58 2HG GLU 58 -9.933 -6.001 7.305 460 H GLU 59 H GLU 59 -11.319 -1.337 7.427 461 HA GLU 59 HA GLU 59 -13.559 -2.807 6.308 462 HB2 GLU 59 1HB GLU 59 -14.402 -1.701 8.105 463 HB3 GLU 59 2HB GLU 59 -13.210 -0.413 8.003 464 HG2 GLU 59 1HG GLU 59 -14.453 0.802 6.483 465 HG3 GLU 59 2HG GLU 59 -15.380 -0.605 5.963 466 H GLU 60 H GLU 60 -12.219 0.466 5.821 467 HA GLU 60 HA GLU 60 -13.592 1.118 3.520 468 HB2 GLU 60 1HB GLU 60 -10.782 1.882 4.325 469 HB3 GLU 60 2HB GLU 60 -11.675 2.644 3.017 470 HG2 GLU 60 1HG GLU 60 -12.737 2.554 5.818 471 HG3 GLU 60 2HG GLU 60 -11.646 3.824 5.268 472 H PHE 61 H PHE 61 -10.870 -1.008 3.921 473 HA PHE 61 HA PHE 61 -10.065 -1.100 1.199 474 HB2 PHE 61 1HB PHE 61 -9.608 -2.905 3.565 475 HB3 PHE 61 2HB PHE 61 -9.019 -3.331 1.961 476 HD1 PHE 61 1HD PHE 61 -7.908 -1.053 0.802 477 HD2 PHE 61 2HD PHE 61 -7.954 -2.111 4.925 478 HE1 PHE 61 1HE PHE 61 -5.901 0.321 1.174 479 HE2 PHE 61 2HE PHE 61 -5.947 -0.738 5.303 480 HZ PHE 61 HZ PHE 61 -4.919 0.480 3.426 481 H SER 62 H SER 62 -12.559 -2.669 3.030 482 HA SER 62 HA SER 62 -13.044 -4.675 0.986 483 HB2 SER 62 1HB SER 62 -13.396 -5.489 3.180 484 HB3 SER 62 2HB SER 62 -14.318 -4.061 3.650 485 HG SER 62 HG SER 62 -15.997 -5.188 3.103 486 H ARG 63 H ARG 63 -13.638 -1.503 1.136 487 HA ARG 63 HA ARG 63 -16.354 -1.651 0.036 488 HB2 ARG 63 1HB ARG 63 -14.761 0.798 0.811 489 HB3 ARG 63 2HB ARG 63 -16.464 0.749 0.375 490 HG2 ARG 63 1HG ARG 63 -15.340 -0.718 2.745 491 HG3 ARG 63 2HG ARG 63 -15.956 0.934 2.830 492 HD2 ARG 63 1HD ARG 63 -17.842 -0.221 3.405 493 HD3 ARG 63 2HD ARG 63 -18.050 -0.149 1.655 494 HE ARG 63 HE ARG 63 -16.628 -2.483 2.394 495 HH11 ARG 63 2HH1 ARG 63 -19.819 -1.093 2.404 496 HH12 ARG 63 1HH1 ARG 63 -20.628 -2.623 2.336 497 HH21 ARG 63 1HH2 ARG 63 -19.411 -4.563 2.282 498 HH22 ARG 63 2HH2 ARG 63 -17.681 -4.504 2.306 499 H ALA 64 H ALA 64 -16.866 -0.786 -1.981 500 HA ALA 64 HA ALA 64 -14.974 -1.146 -4.019 501 HB1 ALA 64 3HB ALA 64 -17.678 0.156 -3.965 502 HB2 ALA 64 1HB ALA 64 -16.713 0.067 -5.439 503 HB3 ALA 64 2HB ALA 64 -17.221 -1.414 -4.626 504 HA PRO 65 HA PRO 65 -14.924 -0.269 -6.247 505 HB2 PRO 65 2HB PRO 65 -13.913 1.165 -7.730 506 HB3 PRO 65 1HB PRO 65 -12.524 0.108 -7.457 507 HG2 PRO 65 1HG PRO 65 -11.552 1.567 -5.935 508 HG3 PRO 65 2HG PRO 65 -12.350 2.729 -7.012 509 HD2 PRO 65 1HD PRO 65 -12.797 2.671 -4.342 510 HD3 PRO 65 2HD PRO 65 -14.048 3.146 -5.509 511 H TYR 66 H TYR 66 -12.130 0.118 -4.137 512 HA TYR 66 HA TYR 66 -10.616 -2.070 -4.548 513 HB2 TYR 66 1HB TYR 66 -11.455 -1.565 -1.723 514 HB3 TYR 66 2HB TYR 66 -9.850 -1.876 -2.372 515 HD1 TYR 66 1HD TYR 66 -9.298 0.084 -4.299 516 HD2 TYR 66 2HD TYR 66 -11.615 0.516 -0.757 517 HE1 TYR 66 1HE TYR 66 -8.822 2.497 -4.290 518 HE2 TYR 66 2HE TYR 66 -11.147 2.930 -0.738 519 HH TYR 66 HH TYR 66 -10.113 4.613 -1.742 520 H THR 67 H THR 67 -13.669 -2.059 -2.733 521 HA THR 67 HA THR 67 -14.844 -3.837 -1.819 522 HB THR 67 HB THR 67 -15.674 -3.494 -4.160 523 HG1 THR 67 1HG THR 67 -16.500 -5.843 -4.200 524 HG21 THR 67 3HG2 THR 67 -13.549 -4.360 -5.222 525 HG22 THR 67 1HG2 THR 67 -15.050 -4.977 -5.910 526 HG23 THR 67 2HG2 THR 67 -14.104 -5.983 -4.813 527 H ILE 68 H ILE 68 -12.021 -4.223 -1.471 528 HA ILE 68 HA ILE 68 -10.983 -6.650 -2.242 529 HB ILE 68 HB ILE 68 -10.682 -5.360 0.473 530 HG12 ILE 68 1HG1 ILE 68 -8.938 -5.122 -1.987 531 HG13 ILE 68 2HG1 ILE 68 -10.098 -3.905 -1.467 532 HG21 ILE 68 1HG2 ILE 68 -8.859 -7.317 -0.917 533 HG22 ILE 68 2HG2 ILE 68 -8.646 -6.626 0.690 534 HG23 ILE 68 3HG2 ILE 68 -9.981 -7.734 0.377 535 HD11 ILE 68 3HD1 ILE 68 -7.436 -4.040 -0.778 536 HD12 ILE 68 1HD1 ILE 68 -8.672 -3.055 0.003 537 HD13 ILE 68 2HD1 ILE 68 -8.271 -4.645 0.652 538 H GLU 69 H GLU 69 -12.652 -8.194 -2.367 539 HA GLU 69 HA GLU 69 -14.112 -8.975 -0.016 540 HB2 GLU 69 1HB GLU 69 -13.878 -10.473 -2.628 541 HB3 GLU 69 2HB GLU 69 -15.135 -10.646 -1.411 542 HG2 GLU 69 1HG GLU 69 -15.506 -8.090 -1.918 543 HG3 GLU 69 2HG GLU 69 -14.743 -8.522 -3.447 544 H ASN 70 H ASN 70 -11.151 -9.881 -1.551 545 HA ASN 70 HA ASN 70 -10.955 -12.407 -0.135 546 HB2 ASN 70 1HB ASN 70 -10.029 -11.800 -2.518 547 HB3 ASN 70 2HB ASN 70 -8.662 -11.162 -1.608 548 HD21 ASN 70 2HD2 ASN 70 -7.358 -14.381 -2.025 549 HD22 ASN 70 1HD2 ASN 70 -7.337 -12.742 -2.572 550 H SER 71 H SER 71 -10.888 -11.872 2.034 551 HA SER 71 HA SER 71 -9.663 -9.900 3.385 552 HB2 SER 71 1HB SER 71 -10.896 -11.809 4.421 553 HB3 SER 71 2HB SER 71 -9.456 -12.805 4.211 554 HG SER 71 HG SER 71 -8.483 -11.764 5.795 555 H SER 72 H SER 72 -8.027 -12.791 2.146 556 HA SER 72 HA SER 72 -5.547 -12.692 3.120 557 HB2 SER 72 1HB SER 72 -6.294 -14.192 1.272 558 HB3 SER 72 2HB SER 72 -6.083 -12.853 0.144 559 HG SER 72 HG SER 72 -4.100 -13.526 0.029 560 H HIS 73 H HIS 73 -6.692 -10.531 0.539 561 HA HIS 73 HA HIS 73 -4.345 -9.102 0.124 562 HB2 HIS 73 1HB HIS 73 -6.493 -8.980 -1.220 563 HB3 HIS 73 2HB HIS 73 -7.111 -7.894 0.021 564 HD1 HIS 73 1HD HIS 73 -7.244 -5.856 -1.505 565 HD2 HIS 73 2HD HIS 73 -3.446 -7.528 -1.311 566 HE1 HIS 73 1HE HIS 73 -5.719 -4.189 -2.608 567 HE2 HIS 73 2HE HIS 73 -3.440 -5.260 -2.555 568 H ARG 74 H ARG 74 -7.087 -8.163 2.207 569 HA ARG 74 HA ARG 74 -5.988 -5.896 3.332 570 HB2 ARG 74 1HB ARG 74 -7.928 -7.927 4.407 571 HB3 ARG 74 2HB ARG 74 -7.445 -6.534 5.365 572 HG2 ARG 74 1HG ARG 74 -8.238 -5.061 3.540 573 HG3 ARG 74 2HG ARG 74 -8.824 -6.492 2.690 574 HD2 ARG 74 1HD ARG 74 -9.727 -5.473 5.379 575 HD3 ARG 74 2HD ARG 74 -10.654 -5.482 3.879 576 HE ARG 74 HE ARG 74 -9.803 -8.097 4.668 577 HH11 ARG 74 2HH1 ARG 74 -12.214 -5.636 5.169 578 HH12 ARG 74 1HH1 ARG 74 -13.430 -6.752 5.698 579 HH21 ARG 74 1HH2 ARG 74 -12.963 -8.992 5.808 580 HH22 ARG 74 2HH2 ARG 74 -11.395 -9.575 5.362 581 H ARG 75 H ARG 75 -5.744 -9.244 4.506 582 HA ARG 75 HA ARG 75 -4.293 -8.797 6.818 583 HB2 ARG 75 1HB ARG 75 -5.269 -10.989 5.901 584 HB3 ARG 75 2HB ARG 75 -3.762 -11.143 5.009 585 HG2 ARG 75 1HG ARG 75 -3.611 -10.644 7.932 586 HG3 ARG 75 2HG ARG 75 -4.094 -12.248 7.376 587 HD2 ARG 75 1HD ARG 75 -2.063 -12.444 6.074 588 HD3 ARG 75 2HD ARG 75 -1.597 -10.799 6.504 589 HE ARG 75 HE ARG 75 -1.995 -12.466 8.794 590 HH11 ARG 75 2HH1 ARG 75 0.269 -11.577 6.303 591 HH12 ARG 75 1HH1 ARG 75 1.664 -12.008 7.235 592 HH21 ARG 75 1HH2 ARG 75 1.416 -12.839 9.356 593 HH22 ARG 75 2HH2 ARG 75 -0.166 -13.037 10.032 594 H VAL 76 H VAL 76 -3.096 -9.264 3.510 595 HA VAL 76 HA VAL 76 -0.345 -9.095 4.189 596 HB VAL 76 HB VAL 76 -1.632 -8.518 1.517 597 HG11 VAL 76 1HG1 VAL 76 0.957 -9.717 1.372 598 HG12 VAL 76 2HG1 VAL 76 0.418 -8.157 0.747 599 HG13 VAL 76 3HG1 VAL 76 1.037 -8.283 2.394 600 HG21 VAL 76 3HG2 VAL 76 -0.364 -11.131 2.155 601 HG22 VAL 76 1HG2 VAL 76 -1.987 -10.817 2.772 602 HG23 VAL 76 2HG2 VAL 76 -1.675 -10.753 1.037 603 H ILE 77 H ILE 77 -2.437 -6.754 2.488 604 HA ILE 77 HA ILE 77 -0.711 -4.624 2.371 605 HB ILE 77 HB ILE 77 -3.699 -4.682 2.718 606 HG12 ILE 77 1HG1 ILE 77 -2.031 -3.792 0.364 607 HG13 ILE 77 2HG1 ILE 77 -2.558 -5.457 0.584 608 HG21 ILE 77 1HG2 ILE 77 -3.402 -2.592 3.572 609 HG22 ILE 77 2HG2 ILE 77 -1.853 -2.360 2.763 610 HG23 ILE 77 3HG2 ILE 77 -3.355 -2.199 1.853 611 HD11 ILE 77 3HD1 ILE 77 -4.707 -4.990 0.053 612 HD12 ILE 77 1HD1 ILE 77 -4.632 -3.352 0.702 613 HD13 ILE 77 2HD1 ILE 77 -3.916 -3.712 -0.870 614 H LEU 78 H LEU 78 -3.227 -4.958 4.883 615 HA LEU 78 HA LEU 78 -2.414 -2.932 6.550 616 HB2 LEU 78 1HB LEU 78 -3.818 -5.519 6.995 617 HB3 LEU 78 2HB LEU 78 -3.309 -4.586 8.400 618 HG LEU 78 HG LEU 78 -4.650 -2.683 7.597 619 HD11 LEU 78 1HD1 LEU 78 -4.683 -2.957 5.258 620 HD12 LEU 78 2HD1 LEU 78 -6.344 -3.213 5.792 621 HD13 LEU 78 3HD1 LEU 78 -5.328 -4.594 5.379 622 HD21 LEU 78 3HD2 LEU 78 -6.355 -5.158 7.696 623 HD22 LEU 78 1HD2 LEU 78 -6.741 -3.536 8.273 624 HD23 LEU 78 2HD2 LEU 78 -5.536 -4.508 9.118 625 H THR 79 H THR 79 -1.723 -6.342 7.316 626 HA THR 79 HA THR 79 0.085 -6.132 9.273 627 HB THR 79 HB THR 79 0.408 -7.957 6.882 628 HG1 THR 79 1HG THR 79 -1.072 -9.171 7.825 629 HG21 THR 79 3HG2 THR 79 2.068 -9.051 7.945 630 HG22 THR 79 1HG2 THR 79 1.329 -8.837 9.532 631 HG23 THR 79 2HG2 THR 79 2.274 -7.531 8.815 632 H GLU 80 H GLU 80 1.150 -6.206 5.863 633 HA GLU 80 HA GLU 80 3.800 -5.518 6.313 634 HB2 GLU 80 1HB GLU 80 2.004 -5.039 3.939 635 HB3 GLU 80 2HB GLU 80 3.715 -4.635 3.924 636 HG2 GLU 80 1HG GLU 80 2.937 -7.383 4.728 637 HG3 GLU 80 2HG GLU 80 2.818 -6.944 3.025 638 H LEU 81 H LEU 81 0.974 -3.452 5.906 639 HA LEU 81 HA LEU 81 2.338 -0.994 5.725 640 HB2 LEU 81 1HB LEU 81 -0.168 -1.639 5.321 641 HB3 LEU 81 2HB LEU 81 -0.343 -1.201 7.019 642 HG LEU 81 HG LEU 81 0.694 1.040 6.372 643 HD11 LEU 81 1HD1 LEU 81 0.003 -0.009 3.632 644 HD12 LEU 81 2HD1 LEU 81 1.602 0.441 4.223 645 HD13 LEU 81 3HD1 LEU 81 0.362 1.677 4.008 646 HD21 LEU 81 3HD2 LEU 81 -2.019 0.021 5.820 647 HD22 LEU 81 1HD2 LEU 81 -1.616 1.585 5.112 648 HD23 LEU 81 2HD2 LEU 81 -1.490 1.348 6.855 649 H GLU 82 H GLU 82 1.071 -2.807 8.485 650 HA GLU 82 HA GLU 82 1.480 -0.909 10.480 651 HB2 GLU 82 1HB GLU 82 0.276 -3.100 10.723 652 HB3 GLU 82 2HB GLU 82 1.844 -3.892 10.788 653 HG2 GLU 82 1HG GLU 82 1.393 -3.684 13.010 654 HG3 GLU 82 2HG GLU 82 2.281 -2.188 12.727 655 H ARG 83 H ARG 83 3.739 -3.016 8.855 656 HA ARG 83 HA ARG 83 5.880 -2.571 10.722 657 HB2 ARG 83 1HB ARG 83 6.110 -3.618 7.901 658 HB3 ARG 83 2HB ARG 83 7.233 -3.864 9.232 659 HG2 ARG 83 1HG ARG 83 5.200 -5.013 10.379 660 HG3 ARG 83 2HG ARG 83 4.585 -5.138 8.730 661 HD2 ARG 83 1HD ARG 83 5.819 -7.148 9.402 662 HD3 ARG 83 2HD ARG 83 6.591 -6.324 8.047 663 HE ARG 83 HE ARG 83 7.626 -5.597 10.639 664 HH11 ARG 83 2HH1 ARG 83 7.876 -7.771 7.932 665 HH12 ARG 83 1HH1 ARG 83 9.526 -8.191 8.255 666 HH21 ARG 83 1HH2 ARG 83 10.617 -7.265 10.043 667 HH22 ARG 83 2HH2 ARG 83 9.797 -6.142 11.075 668 H VAL 84 H VAL 84 5.586 -1.764 7.257 669 HA VAL 84 HA VAL 84 7.683 -0.067 6.961 670 HB VAL 84 HB VAL 84 6.221 1.226 5.315 671 HG11 VAL 84 1HG1 VAL 84 5.927 -0.918 3.875 672 HG12 VAL 84 2HG1 VAL 84 7.548 -0.403 4.347 673 HG13 VAL 84 3HG1 VAL 84 6.750 -1.715 5.216 674 HG21 VAL 84 3HG2 VAL 84 4.237 -0.804 6.313 675 HG22 VAL 84 1HG2 VAL 84 4.057 0.948 6.223 676 HG23 VAL 84 2HG2 VAL 84 4.086 -0.013 4.744 677 H ARG 85 H ARG 85 4.486 0.798 8.236 678 HA ARG 85 HA ARG 85 5.045 3.547 8.594 679 HB2 ARG 85 1HB ARG 85 3.001 3.663 9.786 680 HB3 ARG 85 2HB ARG 85 2.763 2.443 8.543 681 HG2 ARG 85 1HG ARG 85 2.895 0.682 10.098 682 HG3 ARG 85 2HG ARG 85 3.554 1.737 11.350 683 HD2 ARG 85 1HD ARG 85 0.821 2.153 10.171 684 HD3 ARG 85 2HD ARG 85 1.098 1.087 11.547 685 HE ARG 85 HE ARG 85 2.247 3.361 12.371 686 HH11 ARG 85 2HH1 ARG 85 -0.854 2.723 10.925 687 HH12 ARG 85 1HH1 ARG 85 -1.645 4.039 11.727 688 HH21 ARG 85 1HH2 ARG 85 -0.465 5.390 13.153 689 HH22 ARG 85 2HH2 ARG 85 1.218 5.097 13.433 690 H SER 86 H SER 86 5.461 0.719 10.642 691 HA SER 86 HA SER 86 6.037 2.086 13.043 692 HB2 SER 86 1HB SER 86 5.510 -0.189 13.300 693 HB3 SER 86 2HB SER 86 6.634 -0.686 12.036 694 HG SER 86 HG SER 86 7.075 -0.557 14.635 695 H GLY 87 H GLY 87 8.292 0.428 10.821 696 HA2 GLY 87 1HA GLY 87 10.249 1.614 9.994 697 HA3 GLY 87 2HA GLY 87 10.306 2.466 11.531 698 HA PRO 88 HA PRO 88 13.257 -1.177 11.556 699 HB2 PRO 88 2HB PRO 88 14.922 -0.050 10.444 700 HB3 PRO 88 1HB PRO 88 15.491 0.272 12.086 701 HG2 PRO 88 1HG PRO 88 14.566 2.401 12.125 702 HG3 PRO 88 2HG PRO 88 14.978 2.274 10.405 703 HD2 PRO 88 1HD PRO 88 12.473 2.835 11.266 704 HD3 PRO 88 2HD PRO 88 12.789 1.919 9.778 705 H SER 89 H SER 89 11.917 1.023 13.619 706 HA SER 89 HA SER 89 13.367 1.094 15.930 707 HB2 SER 89 1HB SER 89 10.983 2.003 15.397 708 HB3 SER 89 2HB SER 89 10.431 0.469 16.069 709 HG SER 89 HG SER 89 10.630 2.261 17.593 710 H SER 90 H SER 90 13.676 -0.214 17.715 711 HA SER 90 HA SER 90 13.190 -3.073 17.244 712 HB2 SER 90 1HB SER 90 15.024 -3.479 18.822 713 HB3 SER 90 2HB SER 90 15.549 -2.411 17.521 714 HG SER 90 HG SER 90 14.837 -0.700 19.158 715 H GLY 91 H GLY 91 12.249 -4.372 18.801 716 HA2 GLY 91 1HA GLY 91 11.729 -4.084 21.399 717 HA3 GLY 91 2HA GLY 91 10.571 -2.954 20.713 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.322 12.078 -11.323 2 HA2 GLY 1 1HA GLY 1 4.142 9.656 -11.640 3 HA3 GLY 1 2HA GLY 1 3.850 9.998 -13.339 4 H SER 2 H SER 2 5.607 11.293 -10.527 5 HA SER 2 HA SER 2 7.564 12.526 -12.292 6 HB2 SER 2 1HB SER 2 7.441 12.499 -9.266 7 HB3 SER 2 2HB SER 2 8.496 13.506 -10.258 8 HG SER 2 HG SER 2 6.111 14.116 -9.428 9 H SER 3 H SER 3 8.959 11.108 -13.149 10 HA SER 3 HA SER 3 9.933 8.847 -11.629 11 HB2 SER 3 1HB SER 3 9.488 8.477 -13.970 12 HB3 SER 3 2HB SER 3 10.531 9.822 -14.430 13 HG SER 3 HG SER 3 11.305 7.365 -13.245 14 H GLY 4 H GLY 4 12.120 8.452 -11.113 15 HA2 GLY 4 1HA GLY 4 14.241 10.230 -11.593 16 HA3 GLY 4 2HA GLY 4 13.514 10.647 -10.049 17 H SER 5 H SER 5 14.988 7.989 -11.860 18 HA SER 5 HA SER 5 15.911 6.009 -11.126 19 HB2 SER 5 1HB SER 5 17.936 6.383 -9.968 20 HB3 SER 5 2HB SER 5 17.635 7.893 -10.828 21 HG SER 5 HG SER 5 18.052 8.571 -8.823 22 H SER 6 H SER 6 13.411 6.282 -9.977 23 HA SER 6 HA SER 6 13.761 5.582 -7.153 24 HB2 SER 6 1HB SER 6 11.261 6.208 -8.742 25 HB3 SER 6 2HB SER 6 11.287 5.804 -7.026 26 HG SER 6 HG SER 6 11.713 8.172 -8.193 27 H GLY 7 H GLY 7 12.869 3.672 -6.278 28 HA2 GLY 7 1HA GLY 7 11.481 1.647 -6.839 29 HA3 GLY 7 2HA GLY 7 12.476 1.540 -8.285 30 H GLU 8 H GLU 8 13.283 2.148 -4.870 31 HA GLU 8 HA GLU 8 15.032 -0.221 -4.973 32 HB2 GLU 8 1HB GLU 8 15.571 2.337 -3.456 33 HB3 GLU 8 2HB GLU 8 16.627 0.935 -3.549 34 HG2 GLU 8 1HG GLU 8 15.842 2.677 -5.875 35 HG3 GLU 8 2HG GLU 8 17.366 2.770 -4.994 36 H HIS 9 H HIS 9 14.153 -1.742 -3.739 37 HA HIS 9 HA HIS 9 12.306 -1.245 -1.657 38 HB2 HIS 9 1HB HIS 9 12.125 -3.349 -2.697 39 HB3 HIS 9 2HB HIS 9 13.846 -3.680 -2.525 40 HD1 HIS 9 1HD HIS 9 14.381 -5.273 -0.721 41 HD2 HIS 9 2HD HIS 9 10.839 -3.235 0.029 42 HE1 HIS 9 1HE HIS 9 13.489 -6.241 1.422 43 HE2 HIS 9 2HE HIS 9 11.303 -5.052 1.810 44 H GLY 10 H GLY 10 13.092 0.069 -0.060 45 HA2 GLY 10 1HA GLY 10 14.465 -1.035 2.082 46 HA3 GLY 10 2HA GLY 10 15.670 -0.212 1.102 47 H LEU 11 H LEU 11 14.683 2.068 0.332 48 HA LEU 11 HA LEU 11 14.643 3.670 2.639 49 HB2 LEU 11 1HB LEU 11 14.367 5.516 1.199 50 HB3 LEU 11 2HB LEU 11 15.358 4.347 0.329 51 HG LEU 11 HG LEU 11 13.817 5.324 -1.212 52 HD11 LEU 11 1HD1 LEU 11 12.930 2.552 -0.427 53 HD12 LEU 11 2HD1 LEU 11 14.237 2.965 -1.536 54 HD13 LEU 11 3HD1 LEU 11 12.568 3.342 -1.962 55 HD21 LEU 11 3HD2 LEU 11 12.156 5.686 0.891 56 HD22 LEU 11 1HD2 LEU 11 11.376 4.323 0.087 57 HD23 LEU 11 2HD2 LEU 11 11.662 5.822 -0.797 58 H LEU 12 H LEU 12 12.200 1.824 1.267 59 HA LEU 12 HA LEU 12 9.910 3.377 1.601 60 HB2 LEU 12 1HB LEU 12 10.506 0.475 1.537 61 HB3 LEU 12 2HB LEU 12 8.941 0.961 2.186 62 HG LEU 12 HG LEU 12 8.799 0.358 -0.178 63 HD11 LEU 12 1HD1 LEU 12 7.103 1.799 0.017 64 HD12 LEU 12 2HD1 LEU 12 8.142 2.930 -0.850 65 HD13 LEU 12 3HD1 LEU 12 8.076 2.966 0.912 66 HD21 LEU 12 3HD2 LEU 12 9.839 2.114 -1.774 67 HD22 LEU 12 1HD2 LEU 12 10.856 0.823 -1.134 68 HD23 LEU 12 2HD2 LEU 12 10.935 2.438 -0.431 69 H VAL 13 H VAL 13 11.292 1.007 3.884 70 HA VAL 13 HA VAL 13 9.548 1.711 6.009 71 HB VAL 13 HB VAL 13 11.264 0.492 7.439 72 HG11 VAL 13 1HG1 VAL 13 9.344 -0.690 6.715 73 HG12 VAL 13 2HG1 VAL 13 9.957 -0.817 5.065 74 HG13 VAL 13 3HG1 VAL 13 10.726 -1.728 6.366 75 HG21 VAL 13 3HG2 VAL 13 13.272 0.031 6.610 76 HG22 VAL 13 1HG2 VAL 13 12.541 -0.861 5.275 77 HG23 VAL 13 2HG2 VAL 13 12.835 0.872 5.123 78 H HIS 14 H HIS 14 12.330 3.192 4.732 79 HA HIS 14 HA HIS 14 13.098 4.513 7.196 80 HB2 HIS 14 1HB HIS 14 14.101 4.659 4.358 81 HB3 HIS 14 2HB HIS 14 14.676 5.758 5.608 82 HD1 HIS 14 1HD HIS 14 14.501 2.027 4.925 83 HD2 HIS 14 2HD HIS 14 16.739 4.783 7.084 84 HE1 HIS 14 1HE HIS 14 16.417 0.722 5.900 85 HE2 HIS 14 2HE HIS 14 17.709 2.393 7.272 86 H LYS 15 H LYS 15 11.161 5.145 4.383 87 HA LYS 15 HA LYS 15 10.778 7.932 5.245 88 HB2 LYS 15 1HB LYS 15 11.483 7.844 2.966 89 HB3 LYS 15 2HB LYS 15 10.328 6.572 2.590 90 HG2 LYS 15 1HG LYS 15 8.538 8.310 3.231 91 HG3 LYS 15 2HG LYS 15 9.838 9.488 3.039 92 HD2 LYS 15 1HD LYS 15 10.226 8.590 0.749 93 HD3 LYS 15 2HD LYS 15 8.808 7.560 0.959 94 HE2 LYS 15 1HE LYS 15 7.981 9.413 -0.187 95 HE3 LYS 15 2HE LYS 15 7.558 9.740 1.493 96 HZ1 LYS 15 3HZ LYS 15 9.771 10.928 -0.080 97 HZ2 LYS 15 1HZ LYS 15 9.658 11.076 1.602 98 HZ3 LYS 15 2HZ LYS 15 8.448 11.722 0.613 99 H ALA 16 H ALA 16 8.950 8.443 6.241 100 HA ALA 16 HA ALA 16 6.985 6.731 7.042 101 HB1 ALA 16 3HB ALA 16 6.769 9.679 6.465 102 HB2 ALA 16 1HB ALA 16 5.528 8.746 7.303 103 HB3 ALA 16 2HB ALA 16 7.137 8.906 8.007 104 H VAL 17 H VAL 17 5.158 5.856 6.228 105 HA VAL 17 HA VAL 17 4.804 5.682 3.439 106 HB VAL 17 HB VAL 17 2.843 5.000 5.634 107 HG11 VAL 17 1HG1 VAL 17 2.426 5.134 2.875 108 HG12 VAL 17 2HG1 VAL 17 2.632 3.420 3.237 109 HG13 VAL 17 3HG1 VAL 17 1.395 4.357 4.075 110 HG21 VAL 17 3HG2 VAL 17 4.207 2.817 4.269 111 HG22 VAL 17 1HG2 VAL 17 5.307 3.879 5.149 112 HG23 VAL 17 2HG2 VAL 17 3.968 3.100 5.993 113 H ASP 18 H ASP 18 3.362 7.740 5.882 114 HA ASP 18 HA ASP 18 1.208 8.721 4.347 115 HB2 ASP 18 1HB ASP 18 0.817 10.174 6.091 116 HB3 ASP 18 2HB ASP 18 1.792 8.958 6.912 117 H LYS 19 H LYS 19 4.458 9.031 3.819 118 HA LYS 19 HA LYS 19 4.134 11.619 2.447 119 HB2 LYS 19 1HB LYS 19 6.402 10.383 3.914 120 HB3 LYS 19 2HB LYS 19 6.801 11.321 2.481 121 HG2 LYS 19 1HG LYS 19 6.946 12.869 4.196 122 HG3 LYS 19 2HG LYS 19 5.337 13.156 3.529 123 HD2 LYS 19 1HD LYS 19 4.272 12.165 5.338 124 HD3 LYS 19 2HD LYS 19 5.708 11.252 5.809 125 HE2 LYS 19 1HE LYS 19 5.405 12.993 7.409 126 HE3 LYS 19 2HE LYS 19 6.788 13.429 6.407 127 HZ1 LYS 19 3HZ LYS 19 4.367 14.451 5.323 128 HZ2 LYS 19 1HZ LYS 19 5.776 15.277 5.763 129 HZ3 LYS 19 2HZ LYS 19 4.578 14.975 6.918 130 H TRP 20 H TRP 20 4.054 8.430 1.847 131 HA TRP 20 HA TRP 20 5.792 8.135 -0.373 132 HB2 TRP 20 1HB TRP 20 3.320 6.621 0.477 133 HB3 TRP 20 2HB TRP 20 4.302 6.160 -0.911 134 HD1 TRP 20 HD TRP 20 6.578 7.396 1.683 135 HE1 TRP 20 1HE TRP 20 7.644 5.446 2.980 136 HE3 TRP 20 3HE TRP 20 3.517 3.612 0.119 137 HZ2 TRP 20 2HZ TRP 20 7.241 2.670 3.298 138 HZ3 TRP 20 3HZ TRP 20 3.925 1.339 0.966 139 HH2 TRP 20 HH TRP 20 5.749 0.879 2.522 140 H THR 21 H THR 21 5.091 7.795 -2.619 141 HA THR 21 HA THR 21 3.006 9.738 -3.357 142 HB THR 21 HB THR 21 4.170 9.756 -5.606 143 HG1 THR 21 1HG THR 21 5.908 8.566 -5.868 144 HG21 THR 21 3HG2 THR 21 5.624 10.694 -3.136 145 HG22 THR 21 1HG2 THR 21 4.497 11.610 -4.136 146 HG23 THR 21 2HG2 THR 21 6.080 11.164 -4.773 147 H THR 22 H THR 22 1.691 9.267 -5.228 148 HA THR 22 HA THR 22 0.277 6.973 -5.190 149 HB THR 22 HB THR 22 0.934 8.342 -7.800 150 HG1 THR 22 1HG THR 22 -0.472 9.919 -7.241 151 HG21 THR 22 3HG2 THR 22 -1.215 7.615 -8.513 152 HG22 THR 22 1HG2 THR 22 -1.654 7.094 -6.887 153 HG23 THR 22 2HG2 THR 22 -0.425 6.212 -7.795 154 H GLU 23 H GLU 23 3.411 7.416 -6.657 155 HA GLU 23 HA GLU 23 3.374 4.933 -8.102 156 HB2 GLU 23 1HB GLU 23 4.801 7.128 -8.478 157 HB3 GLU 23 2HB GLU 23 5.923 6.317 -7.394 158 HG2 GLU 23 1HG GLU 23 5.589 4.307 -9.025 159 HG3 GLU 23 2HG GLU 23 5.063 5.563 -10.143 160 H GLU 24 H GLU 24 5.297 6.080 -5.321 161 HA GLU 24 HA GLU 24 6.484 3.685 -4.638 162 HB2 GLU 24 1HB GLU 24 5.536 5.835 -2.735 163 HB3 GLU 24 2HB GLU 24 6.745 4.608 -2.382 164 HG2 GLU 24 1HG GLU 24 8.175 5.539 -4.154 165 HG3 GLU 24 2HG GLU 24 6.975 6.800 -4.432 166 H VAL 25 H VAL 25 3.309 4.922 -3.691 167 HA VAL 25 HA VAL 25 2.572 3.051 -1.802 168 HB VAL 25 HB VAL 25 0.922 4.487 -3.871 169 HG11 VAL 25 1HG1 VAL 25 -0.880 3.709 -1.985 170 HG12 VAL 25 2HG1 VAL 25 -0.644 2.912 -3.542 171 HG13 VAL 25 3HG1 VAL 25 0.152 2.284 -2.098 172 HG21 VAL 25 3HG2 VAL 25 2.038 5.202 -1.371 173 HG22 VAL 25 1HG2 VAL 25 0.979 6.156 -2.410 174 HG23 VAL 25 2HG2 VAL 25 0.288 5.115 -1.165 175 H VAL 26 H VAL 26 2.170 2.848 -5.331 176 HA VAL 26 HA VAL 26 1.020 0.244 -5.282 177 HB VAL 26 HB VAL 26 2.373 1.682 -7.569 178 HG11 VAL 26 1HG1 VAL 26 2.259 -0.632 -8.096 179 HG12 VAL 26 2HG1 VAL 26 0.611 -0.758 -7.479 180 HG13 VAL 26 3HG1 VAL 26 0.934 0.154 -8.954 181 HG21 VAL 26 3HG2 VAL 26 -0.082 2.198 -6.225 182 HG22 VAL 26 1HG2 VAL 26 0.590 3.002 -7.644 183 HG23 VAL 26 2HG2 VAL 26 -0.447 1.588 -7.839 184 H LEU 27 H LEU 27 4.293 1.483 -5.675 185 HA LEU 27 HA LEU 27 5.551 -0.869 -6.513 186 HB2 LEU 27 1HB LEU 27 6.409 1.634 -5.176 187 HB3 LEU 27 2HB LEU 27 7.519 0.266 -5.118 188 HG LEU 27 HG LEU 27 6.475 1.651 -7.585 189 HD11 LEU 27 1HD1 LEU 27 8.201 2.996 -7.129 190 HD12 LEU 27 2HD1 LEU 27 9.205 1.651 -7.670 191 HD13 LEU 27 3HD1 LEU 27 8.886 1.878 -5.950 192 HD21 LEU 27 3HD2 LEU 27 8.004 -0.899 -7.221 193 HD22 LEU 27 1HD2 LEU 27 8.211 0.083 -8.672 194 HD23 LEU 27 2HD2 LEU 27 6.621 -0.565 -8.266 195 H TRP 28 H TRP 28 5.133 0.424 -3.223 196 HA TRP 28 HA TRP 28 6.393 -1.668 -1.861 197 HB2 TRP 28 1HB TRP 28 5.987 0.254 -0.585 198 HB3 TRP 28 2HB TRP 28 4.298 0.338 -1.077 199 HD1 TRP 28 HD TRP 28 6.615 -1.620 1.294 200 HE1 TRP 28 1HE TRP 28 5.174 -2.659 3.156 201 HE3 TRP 28 3HE TRP 28 1.982 -0.394 -0.486 202 HZ2 TRP 28 2HZ TRP 28 2.435 -2.925 3.787 203 HZ3 TRP 28 3HZ TRP 28 0.003 -1.079 0.807 204 HH2 TRP 28 HH TRP 28 0.227 -2.318 2.898 205 H LEU 29 H LEU 29 3.021 -1.262 -2.855 206 HA LEU 29 HA LEU 29 2.124 -3.674 -1.615 207 HB2 LEU 29 1HB LEU 29 0.484 -2.033 -1.944 208 HB3 LEU 29 2HB LEU 29 0.946 -1.788 -3.627 209 HG LEU 29 HG LEU 29 0.089 -4.192 -3.987 210 HD11 LEU 29 1HD1 LEU 29 -1.665 -3.645 -1.645 211 HD12 LEU 29 2HD1 LEU 29 -0.092 -4.395 -1.378 212 HD13 LEU 29 3HD1 LEU 29 -1.272 -5.175 -2.431 213 HD21 LEU 29 3HD2 LEU 29 -1.784 -3.275 -4.834 214 HD22 LEU 29 1HD2 LEU 29 -1.017 -1.757 -4.366 215 HD23 LEU 29 2HD2 LEU 29 -2.221 -2.498 -3.311 216 H GLU 30 H GLU 30 3.493 -2.843 -4.702 217 HA GLU 30 HA GLU 30 2.709 -5.278 -6.010 218 HB2 GLU 30 1HB GLU 30 4.483 -2.968 -6.701 219 HB3 GLU 30 2HB GLU 30 4.593 -4.449 -7.640 220 HG2 GLU 30 1HG GLU 30 2.059 -4.238 -7.918 221 HG3 GLU 30 2HG GLU 30 2.272 -2.582 -7.353 222 H GLN 31 H GLN 31 4.635 -4.909 -3.494 223 HA GLN 31 HA GLN 31 6.684 -6.798 -4.438 224 HB2 GLN 31 1HB GLN 31 6.686 -4.792 -2.193 225 HB3 GLN 31 2HB GLN 31 7.867 -6.092 -2.278 226 HG2 GLN 31 1HG GLN 31 8.765 -5.264 -4.307 227 HG3 GLN 31 2HG GLN 31 7.437 -4.121 -4.503 228 HE21 GLN 31 2HE2 GLN 31 8.815 -1.659 -2.468 229 HE22 GLN 31 1HE2 GLN 31 7.439 -2.221 -3.347 230 H LEU 32 H LEU 32 4.074 -6.315 -2.218 231 HA LEU 32 HA LEU 32 4.665 -8.393 -0.395 232 HB2 LEU 32 1HB LEU 32 1.861 -7.614 -1.064 233 HB3 LEU 32 2HB LEU 32 2.560 -8.038 0.497 234 HG LEU 32 HG LEU 32 2.866 -5.436 -0.994 235 HD11 LEU 32 1HD1 LEU 32 1.221 -4.674 0.286 236 HD12 LEU 32 2HD1 LEU 32 1.978 -5.312 1.745 237 HD13 LEU 32 3HD1 LEU 32 0.918 -6.339 0.781 238 HD21 LEU 32 3HD2 LEU 32 4.582 -4.822 0.319 239 HD22 LEU 32 1HD2 LEU 32 4.837 -6.559 0.491 240 HD23 LEU 32 2HD2 LEU 32 3.944 -5.673 1.728 241 H GLY 33 H GLY 33 3.208 -8.342 -3.556 242 HA2 GLY 33 1HA GLY 33 3.547 -11.075 -4.013 243 HA3 GLY 33 2HA GLY 33 1.895 -10.842 -3.460 244 HA PRO 34 HA PRO 34 2.441 -9.994 -8.110 245 HB2 PRO 34 2HB PRO 34 3.014 -12.126 -8.745 246 HB3 PRO 34 1HB PRO 34 1.279 -12.258 -9.056 247 HG2 PRO 34 1HG PRO 34 0.873 -13.348 -7.047 248 HG3 PRO 34 2HG PRO 34 2.499 -13.956 -7.406 249 HD2 PRO 34 1HD PRO 34 1.891 -12.703 -5.084 250 HD3 PRO 34 2HD PRO 34 3.493 -12.586 -5.841 251 H TRP 35 H TRP 35 -0.086 -11.162 -6.014 252 HA TRP 35 HA TRP 35 -2.288 -10.640 -7.717 253 HB2 TRP 35 1HB TRP 35 -3.549 -10.557 -5.466 254 HB3 TRP 35 2HB TRP 35 -2.757 -12.064 -5.917 255 HD1 TRP 35 HD TRP 35 -0.958 -12.999 -4.292 256 HE1 TRP 35 1HE TRP 35 0.033 -12.205 -2.054 257 HE3 TRP 35 3HE TRP 35 -2.905 -8.274 -4.173 258 HZ2 TRP 35 2HZ TRP 35 -0.006 -9.883 -0.449 259 HZ3 TRP 35 3HZ TRP 35 -2.381 -6.830 -2.251 260 HH2 TRP 35 HH TRP 35 -0.961 -7.620 -0.429 261 H ALA 36 H ALA 36 -0.188 -8.590 -5.994 262 HA ALA 36 HA ALA 36 -1.850 -6.444 -5.327 263 HB1 ALA 36 3HB ALA 36 0.239 -6.228 -4.414 264 HB2 ALA 36 1HB ALA 36 1.059 -6.737 -5.890 265 HB3 ALA 36 2HB ALA 36 0.373 -5.116 -5.776 266 H SER 37 H SER 37 -0.604 -7.494 -8.392 267 HA SER 37 HA SER 37 -0.964 -5.045 -9.795 268 HB2 SER 37 1HB SER 37 0.505 -6.562 -10.831 269 HB3 SER 37 2HB SER 37 -0.616 -7.912 -10.648 270 HG SER 37 HG SER 37 -1.416 -5.715 -12.182 271 H LEU 38 H LEU 38 -3.155 -7.225 -8.505 272 HA LEU 38 HA LEU 38 -5.202 -6.885 -10.526 273 HB2 LEU 38 1HB LEU 38 -5.356 -8.132 -7.786 274 HB3 LEU 38 2HB LEU 38 -6.601 -8.215 -9.030 275 HG LEU 38 HG LEU 38 -3.841 -9.400 -9.305 276 HD11 LEU 38 1HD1 LEU 38 -5.810 -10.304 -7.625 277 HD12 LEU 38 2HD1 LEU 38 -4.523 -11.285 -8.325 278 HD13 LEU 38 3HD1 LEU 38 -6.105 -11.224 -9.101 279 HD21 LEU 38 3HD2 LEU 38 -5.364 -10.726 -11.050 280 HD22 LEU 38 1HD2 LEU 38 -4.506 -9.241 -11.466 281 HD23 LEU 38 2HD2 LEU 38 -6.220 -9.183 -11.053 282 H TYR 39 H TYR 39 -4.048 -5.124 -7.907 283 HA TYR 39 HA TYR 39 -6.568 -3.603 -7.758 284 HB2 TYR 39 1HB TYR 39 -4.568 -3.964 -5.518 285 HB3 TYR 39 2HB TYR 39 -6.091 -3.086 -5.431 286 HD1 TYR 39 2HD TYR 39 -8.214 -4.282 -5.332 287 HD2 TYR 39 1HD TYR 39 -4.518 -6.385 -5.472 288 HE1 TYR 39 2HE TYR 39 -9.364 -6.338 -4.624 289 HE2 TYR 39 1HE TYR 39 -5.658 -8.447 -4.766 290 HH TYR 39 HH TYR 39 -9.035 -8.769 -4.756 291 H ARG 40 H ARG 40 -3.078 -3.549 -7.893 292 HA ARG 40 HA ARG 40 -2.297 -1.043 -7.388 293 HB2 ARG 40 1HB ARG 40 -0.579 -1.258 -9.006 294 HB3 ARG 40 2HB ARG 40 -0.938 -2.892 -8.463 295 HG2 ARG 40 1HG ARG 40 -2.344 -3.208 -10.472 296 HG3 ARG 40 2HG ARG 40 -1.854 -1.606 -11.025 297 HD2 ARG 40 1HD ARG 40 0.270 -3.550 -10.285 298 HD3 ARG 40 2HD ARG 40 -0.594 -3.802 -11.801 299 HE ARG 40 HE ARG 40 1.373 -1.815 -11.268 300 HH11 ARG 40 2HH1 ARG 40 -1.541 -2.440 -13.068 301 HH12 ARG 40 1HH1 ARG 40 -1.172 -1.296 -14.315 302 HH21 ARG 40 1HH2 ARG 40 0.770 -0.083 -14.222 303 HH22 ARG 40 2HH2 ARG 40 1.870 -0.306 -12.905 304 H ASP 41 H ASP 41 -3.845 -1.987 -10.454 305 HA ASP 41 HA ASP 41 -3.892 0.404 -11.770 306 HB2 ASP 41 1HB ASP 41 -6.070 -1.689 -11.632 307 HB3 ASP 41 2HB ASP 41 -6.045 -0.371 -12.800 308 H ARG 42 H ARG 42 -6.161 -0.681 -9.272 309 HA ARG 42 HA ARG 42 -7.893 1.521 -9.366 310 HB2 ARG 42 1HB ARG 42 -7.226 -0.046 -6.876 311 HB3 ARG 42 2HB ARG 42 -8.729 0.784 -7.257 312 HG2 ARG 42 1HG ARG 42 -8.749 -0.893 -9.286 313 HG3 ARG 42 2HG ARG 42 -7.710 -1.835 -8.215 314 HD2 ARG 42 1HD ARG 42 -9.810 -2.607 -7.647 315 HD3 ARG 42 2HD ARG 42 -9.544 -1.349 -6.441 316 HE ARG 42 HE ARG 42 -11.306 -0.205 -7.327 317 HH11 ARG 42 2HH1 ARG 42 -10.162 -2.492 -9.689 318 HH12 ARG 42 1HH1 ARG 42 -11.443 -2.171 -10.811 319 HH21 ARG 42 1HH2 ARG 42 -13.054 -0.624 -10.302 320 HH22 ARG 42 2HH2 ARG 42 -12.997 0.226 -8.796 321 H PHE 43 H PHE 43 -4.878 0.994 -7.621 322 HA PHE 43 HA PHE 43 -4.987 3.250 -5.953 323 HB2 PHE 43 1HB PHE 43 -2.664 1.677 -7.066 324 HB3 PHE 43 2HB PHE 43 -2.454 3.006 -5.931 325 HD1 PHE 43 2HD PHE 43 -4.066 -0.301 -6.356 326 HD2 PHE 43 1HD PHE 43 -2.704 2.673 -3.632 327 HE1 PHE 43 2HE PHE 43 -4.445 -1.849 -4.482 328 HE2 PHE 43 1HE PHE 43 -3.080 1.129 -1.754 329 HZ PHE 43 HZ PHE 43 -3.953 -1.135 -2.177 330 H LEU 44 H LEU 44 -3.196 2.825 -9.010 331 HA LEU 44 HA LEU 44 -2.317 5.443 -9.288 332 HB2 LEU 44 1HB LEU 44 -3.029 3.400 -11.382 333 HB3 LEU 44 2HB LEU 44 -2.229 4.928 -11.741 334 HG LEU 44 HG LEU 44 -0.404 3.581 -11.654 335 HD11 LEU 44 1HD1 LEU 44 0.707 3.745 -9.493 336 HD12 LEU 44 2HD1 LEU 44 -0.830 4.129 -8.719 337 HD13 LEU 44 3HD1 LEU 44 -0.128 5.247 -9.888 338 HD21 LEU 44 3HD2 LEU 44 -0.211 1.530 -10.480 339 HD22 LEU 44 1HD2 LEU 44 -1.839 1.572 -11.158 340 HD23 LEU 44 2HD2 LEU 44 -1.588 1.912 -9.446 341 H SER 45 H SER 45 -5.141 3.975 -10.905 342 HA SER 45 HA SER 45 -6.172 6.220 -12.104 343 HB2 SER 45 1HB SER 45 -6.990 3.726 -12.101 344 HB3 SER 45 2HB SER 45 -8.054 4.279 -10.807 345 HG SER 45 HG SER 45 -9.273 5.065 -12.311 346 H GLU 46 H GLU 46 -7.015 5.001 -8.862 347 HA GLU 46 HA GLU 46 -8.539 7.357 -8.238 348 HB2 GLU 46 1HB GLU 46 -7.642 5.014 -6.556 349 HB3 GLU 46 2HB GLU 46 -8.639 6.326 -5.944 350 HG2 GLU 46 1HG GLU 46 -9.433 4.655 -8.307 351 HG3 GLU 46 2HG GLU 46 -9.842 4.224 -6.648 352 H ARG 47 H ARG 47 -5.363 7.009 -8.599 353 HA ARG 47 HA ARG 47 -3.468 7.943 -7.719 354 HB2 ARG 47 1HB ARG 47 -5.471 10.155 -7.232 355 HB3 ARG 47 2HB ARG 47 -3.726 10.356 -7.168 356 HG2 ARG 47 1HG ARG 47 -5.179 9.380 -9.611 357 HG3 ARG 47 2HG ARG 47 -4.833 11.082 -9.299 358 HD2 ARG 47 1HD ARG 47 -2.684 8.982 -9.294 359 HD3 ARG 47 2HD ARG 47 -3.189 9.801 -10.771 360 HE ARG 47 HE ARG 47 -1.506 10.848 -8.741 361 HH11 ARG 47 2HH1 ARG 47 -3.990 11.746 -11.008 362 HH12 ARG 47 1HH1 ARG 47 -3.463 13.392 -11.134 363 HH21 ARG 47 1HH2 ARG 47 -1.649 14.111 -9.934 364 HH22 ARG 47 2HH2 ARG 47 -0.802 13.012 -8.898 365 H VAL 48 H VAL 48 -4.596 6.196 -5.904 366 HA VAL 48 HA VAL 48 -4.924 7.393 -3.328 367 HB VAL 48 HB VAL 48 -4.393 4.516 -4.081 368 HG11 VAL 48 1HG1 VAL 48 -5.399 4.099 -1.786 369 HG12 VAL 48 2HG1 VAL 48 -3.751 4.730 -1.824 370 HG13 VAL 48 3HG1 VAL 48 -5.101 5.807 -1.461 371 HG21 VAL 48 3HG2 VAL 48 -6.610 4.225 -4.366 372 HG22 VAL 48 1HG2 VAL 48 -7.029 5.353 -3.077 373 HG23 VAL 48 2HG2 VAL 48 -6.600 5.961 -4.676 374 H ASN 49 H ASN 49 -3.115 8.624 -2.864 375 HA ASN 49 HA ASN 49 -0.462 7.538 -3.045 376 HB2 ASN 49 1HB ASN 49 0.263 9.645 -2.077 377 HB3 ASN 49 2HB ASN 49 -0.934 9.958 -3.330 378 HD21 ASN 49 2HD2 ASN 49 -1.466 11.586 0.170 379 HD22 ASN 49 1HD2 ASN 49 0.029 11.084 -0.536 380 H GLY 50 H GLY 50 0.973 7.853 -0.980 381 HA2 GLY 50 1HA GLY 50 0.355 5.860 0.834 382 HA3 GLY 50 2HA GLY 50 1.508 7.150 1.141 383 H ARG 51 H ARG 51 0.171 9.365 1.480 384 HA ARG 51 HA ARG 51 -0.827 9.365 4.002 385 HB2 ARG 51 1HB ARG 51 -0.404 11.308 2.250 386 HB3 ARG 51 2HB ARG 51 -2.147 11.197 2.051 387 HG2 ARG 51 1HG ARG 51 -0.673 11.740 4.620 388 HG3 ARG 51 2HG ARG 51 -1.590 12.906 3.663 389 HD2 ARG 51 1HD ARG 51 -3.509 11.109 4.007 390 HD3 ARG 51 2HD ARG 51 -2.545 10.717 5.431 391 HE ARG 51 HE ARG 51 -3.309 12.632 6.400 392 HH11 ARG 51 2HH1 ARG 51 -3.685 12.910 2.950 393 HH12 ARG 51 1HH1 ARG 51 -4.517 14.428 3.032 394 HH21 ARG 51 1HH2 ARG 51 -4.924 15.406 5.063 395 HH22 ARG 51 2HH2 ARG 51 -4.403 14.630 6.521 396 H LEU 52 H LEU 52 -2.617 8.700 1.043 397 HA LEU 52 HA LEU 52 -5.148 8.500 2.415 398 HB2 LEU 52 1HB LEU 52 -5.051 9.297 0.117 399 HB3 LEU 52 2HB LEU 52 -4.349 7.764 -0.398 400 HG LEU 52 HG LEU 52 -6.435 6.617 0.154 401 HD11 LEU 52 1HD1 LEU 52 -7.564 9.344 0.755 402 HD12 LEU 52 2HD1 LEU 52 -7.101 8.166 1.983 403 HD13 LEU 52 3HD1 LEU 52 -8.399 7.793 0.849 404 HD21 LEU 52 3HD2 LEU 52 -6.016 8.463 -1.942 405 HD22 LEU 52 1HD2 LEU 52 -7.704 8.604 -1.450 406 HD23 LEU 52 2HD2 LEU 52 -7.055 7.037 -1.933 407 H LEU 53 H LEU 53 -2.694 6.312 1.163 408 HA LEU 53 HA LEU 53 -4.109 3.906 1.396 409 HB2 LEU 53 1HB LEU 53 -1.761 4.479 0.379 410 HB3 LEU 53 2HB LEU 53 -1.187 4.027 1.983 411 HG LEU 53 HG LEU 53 -2.626 2.286 -0.011 412 HD11 LEU 53 1HD1 LEU 53 0.004 2.857 0.133 413 HD12 LEU 53 2HD1 LEU 53 -0.640 1.314 -0.429 414 HD13 LEU 53 3HD1 LEU 53 -0.084 1.483 1.235 415 HD21 LEU 53 3HD2 LEU 53 -2.078 1.891 2.907 416 HD22 LEU 53 1HD2 LEU 53 -2.157 0.517 1.804 417 HD23 LEU 53 2HD2 LEU 53 -3.556 1.575 1.997 418 H LEU 54 H LEU 54 -2.414 5.841 3.768 419 HA LEU 54 HA LEU 54 -2.390 3.859 5.819 420 HB2 LEU 54 1HB LEU 54 -1.967 6.823 5.755 421 HB3 LEU 54 2HB LEU 54 -2.058 5.958 7.288 422 HG LEU 54 HG LEU 54 -0.076 5.261 5.130 423 HD11 LEU 54 1HD1 LEU 54 0.337 7.061 7.513 424 HD12 LEU 54 2HD1 LEU 54 0.256 7.588 5.832 425 HD13 LEU 54 3HD1 LEU 54 1.571 6.542 6.365 426 HD21 LEU 54 3HD2 LEU 54 0.522 3.609 6.486 427 HD22 LEU 54 1HD2 LEU 54 -0.859 3.998 7.512 428 HD23 LEU 54 2HD2 LEU 54 0.713 4.730 7.835 429 H THR 55 H THR 55 -4.415 6.724 5.223 430 HA THR 55 HA THR 55 -6.109 6.507 7.407 431 HB THR 55 HB THR 55 -7.688 7.863 6.219 432 HG1 THR 55 1HG THR 55 -6.458 6.720 3.968 433 HG21 THR 55 3HG2 THR 55 -4.815 8.417 5.993 434 HG22 THR 55 1HG2 THR 55 -6.116 9.423 6.627 435 HG23 THR 55 2HG2 THR 55 -5.825 9.350 4.889 436 H LEU 56 H LEU 56 -6.234 4.853 4.297 437 HA LEU 56 HA LEU 56 -8.771 3.728 4.463 438 HB2 LEU 56 1HB LEU 56 -6.240 2.666 3.227 439 HB3 LEU 56 2HB LEU 56 -7.819 1.912 3.013 440 HG LEU 56 HG LEU 56 -7.298 4.766 2.225 441 HD11 LEU 56 1HD1 LEU 56 -6.445 4.189 0.207 442 HD12 LEU 56 2HD1 LEU 56 -7.282 2.638 0.169 443 HD13 LEU 56 3HD1 LEU 56 -5.825 2.829 1.143 444 HD21 LEU 56 3HD2 LEU 56 -9.203 3.055 0.780 445 HD22 LEU 56 1HD2 LEU 56 -9.359 4.725 1.325 446 HD23 LEU 56 2HD2 LEU 56 -9.623 3.401 2.459 447 H THR 57 H THR 57 -9.653 2.090 5.577 448 HA THR 57 HA THR 57 -7.884 0.563 7.372 449 HB THR 57 HB THR 57 -9.773 0.296 8.882 450 HG1 THR 57 1HG THR 57 -11.158 1.561 6.774 451 HG21 THR 57 3HG2 THR 57 -10.185 2.767 9.396 452 HG22 THR 57 1HG2 THR 57 -9.149 3.106 8.010 453 HG23 THR 57 2HG2 THR 57 -8.510 2.215 9.391 454 H GLU 58 H GLU 58 -8.630 -1.638 7.915 455 HA GLU 58 HA GLU 58 -8.733 -3.385 5.905 456 HB2 GLU 58 1HB GLU 58 -8.637 -4.245 8.111 457 HB3 GLU 58 2HB GLU 58 -10.184 -3.529 8.540 458 HG2 GLU 58 1HG GLU 58 -11.180 -5.075 6.762 459 HG3 GLU 58 2HG GLU 58 -9.640 -5.929 6.835 460 H GLU 59 H GLU 59 -11.600 -1.776 7.236 461 HA GLU 59 HA GLU 59 -13.516 -3.054 5.642 462 HB2 GLU 59 1HB GLU 59 -13.406 -0.529 7.208 463 HB3 GLU 59 2HB GLU 59 -14.697 -0.686 6.025 464 HG2 GLU 59 1HG GLU 59 -15.204 -1.403 8.404 465 HG3 GLU 59 2HG GLU 59 -15.634 -2.525 7.115 466 H GLU 60 H GLU 60 -12.495 0.334 5.224 467 HA GLU 60 HA GLU 60 -13.476 0.900 2.794 468 HB2 GLU 60 1HB GLU 60 -10.839 1.627 4.021 469 HB3 GLU 60 2HB GLU 60 -11.236 2.180 2.401 470 HG2 GLU 60 1HG GLU 60 -13.136 2.642 4.658 471 HG3 GLU 60 2HG GLU 60 -11.744 3.697 4.429 472 H PHE 61 H PHE 61 -10.584 -1.036 3.392 473 HA PHE 61 HA PHE 61 -9.753 -1.320 0.727 474 HB2 PHE 61 1HB PHE 61 -9.358 -3.022 3.181 475 HB3 PHE 61 2HB PHE 61 -8.677 -3.475 1.622 476 HD1 PHE 61 1HD PHE 61 -7.313 -1.551 0.432 477 HD2 PHE 61 2HD PHE 61 -8.066 -1.784 4.615 478 HE1 PHE 61 1HE PHE 61 -5.369 -0.104 0.859 479 HE2 PHE 61 2HE PHE 61 -6.124 -0.337 5.049 480 HZ PHE 61 HZ PHE 61 -4.773 0.505 3.170 481 H SER 62 H SER 62 -11.970 -3.246 2.700 482 HA SER 62 HA SER 62 -12.484 -5.087 0.523 483 HB2 SER 62 1HB SER 62 -12.509 -6.118 2.652 484 HB3 SER 62 2HB SER 62 -13.518 -4.849 3.346 485 HG SER 62 HG SER 62 -15.267 -5.668 2.344 486 H ARG 63 H ARG 63 -13.417 -2.027 1.089 487 HA ARG 63 HA ARG 63 -16.154 -2.431 0.088 488 HB2 ARG 63 1HB ARG 63 -14.950 0.029 1.369 489 HB3 ARG 63 2HB ARG 63 -16.627 -0.168 0.880 490 HG2 ARG 63 1HG ARG 63 -15.312 -1.939 2.917 491 HG3 ARG 63 2HG ARG 63 -16.137 -0.437 3.337 492 HD2 ARG 63 1HD ARG 63 -17.370 -2.783 1.897 493 HD3 ARG 63 2HD ARG 63 -17.597 -2.389 3.600 494 HE ARG 63 HE ARG 63 -18.336 -0.141 2.174 495 HH11 ARG 63 2HH1 ARG 63 -19.345 -3.464 2.416 496 HH12 ARG 63 1HH1 ARG 63 -20.998 -3.126 2.023 497 HH21 ARG 63 1HH2 ARG 63 -21.659 -0.976 1.590 498 HH22 ARG 63 2HH2 ARG 63 -20.510 0.316 1.656 499 H ALA 64 H ALA 64 -16.873 -1.335 -1.731 500 HA ALA 64 HA ALA 64 -15.150 -1.020 -3.858 501 HB1 ALA 64 3HB ALA 64 -17.606 -1.229 -4.036 502 HB2 ALA 64 1HB ALA 64 -17.762 0.441 -3.492 503 HB3 ALA 64 2HB ALA 64 -16.955 0.082 -5.019 504 HA PRO 65 HA PRO 65 -15.139 0.260 -5.816 505 HB2 PRO 65 2HB PRO 65 -14.200 1.990 -6.999 506 HB3 PRO 65 1HB PRO 65 -12.773 0.948 -6.954 507 HG2 PRO 65 1HG PRO 65 -11.822 2.113 -5.185 508 HG3 PRO 65 2HG PRO 65 -12.674 3.435 -6.004 509 HD2 PRO 65 1HD PRO 65 -13.074 2.840 -3.393 510 HD3 PRO 65 2HD PRO 65 -14.358 3.491 -4.431 511 H TYR 66 H TYR 66 -12.078 0.422 -4.008 512 HA TYR 66 HA TYR 66 -10.697 -1.718 -4.846 513 HB2 TYR 66 1HB TYR 66 -11.098 -1.508 -1.889 514 HB3 TYR 66 2HB TYR 66 -9.614 -1.764 -2.799 515 HD1 TYR 66 1HD TYR 66 -8.795 0.242 -4.242 516 HD2 TYR 66 2HD TYR 66 -11.576 0.601 -1.042 517 HE1 TYR 66 1HE TYR 66 -8.265 2.636 -4.059 518 HE2 TYR 66 2HE TYR 66 -11.055 2.997 -0.850 519 HH TYR 66 HH TYR 66 -10.136 4.790 -2.137 520 H THR 67 H THR 67 -13.522 -1.868 -2.718 521 HA THR 67 HA THR 67 -14.576 -3.730 -1.802 522 HB THR 67 HB THR 67 -15.538 -3.134 -4.137 523 HG1 THR 67 1HG THR 67 -17.038 -4.263 -3.164 524 HG21 THR 67 3HG2 THR 67 -15.040 -5.837 -5.066 525 HG22 THR 67 1HG2 THR 67 -13.554 -4.894 -4.957 526 HG23 THR 67 2HG2 THR 67 -14.902 -4.306 -5.931 527 H ILE 68 H ILE 68 -11.778 -4.172 -1.760 528 HA ILE 68 HA ILE 68 -10.763 -6.433 -2.899 529 HB ILE 68 HB ILE 68 -10.400 -5.382 -0.102 530 HG12 ILE 68 1HG1 ILE 68 -8.476 -5.455 -2.430 531 HG13 ILE 68 2HG1 ILE 68 -9.561 -4.104 -2.121 532 HG21 ILE 68 1HG2 ILE 68 -9.777 -7.529 0.343 533 HG22 ILE 68 2HG2 ILE 68 -9.358 -7.873 -1.334 534 HG23 ILE 68 3HG2 ILE 68 -8.262 -6.927 -0.328 535 HD11 ILE 68 3HD1 ILE 68 -7.006 -4.417 -1.144 536 HD12 ILE 68 1HD1 ILE 68 -8.215 -3.270 -0.568 537 HD13 ILE 68 2HD1 ILE 68 -8.033 -4.835 0.227 538 H GLU 69 H GLU 69 -12.263 -8.054 -3.250 539 HA GLU 69 HA GLU 69 -13.695 -9.222 -1.022 540 HB2 GLU 69 1HB GLU 69 -13.546 -10.257 -3.852 541 HB3 GLU 69 2HB GLU 69 -14.770 -10.617 -2.643 542 HG2 GLU 69 1HG GLU 69 -15.174 -8.036 -2.718 543 HG3 GLU 69 2HG GLU 69 -14.399 -8.170 -4.296 544 H ASN 70 H ASN 70 -10.926 -9.354 -0.680 545 HA ASN 70 HA ASN 70 -10.586 -12.237 -0.490 546 HB2 ASN 70 1HB ASN 70 -9.505 -11.174 -2.665 547 HB3 ASN 70 2HB ASN 70 -8.232 -10.724 -1.534 548 HD21 ASN 70 2HD2 ASN 70 -7.159 -14.041 -0.949 549 HD22 ASN 70 1HD2 ASN 70 -7.307 -12.474 -0.234 550 H SER 71 H SER 71 -10.356 -12.422 1.646 551 HA SER 71 HA SER 71 -9.419 -10.482 3.404 552 HB2 SER 71 1HB SER 71 -9.373 -13.493 3.727 553 HB3 SER 71 2HB SER 71 -9.175 -12.329 5.037 554 HG SER 71 HG SER 71 -11.400 -13.305 4.340 555 H SER 72 H SER 72 -7.663 -13.408 2.354 556 HA SER 72 HA SER 72 -5.255 -13.137 3.456 557 HB2 SER 72 1HB SER 72 -5.908 -13.824 0.595 558 HB3 SER 72 2HB SER 72 -4.258 -13.904 1.213 559 HG SER 72 HG SER 72 -5.180 -15.298 2.903 560 H HIS 73 H HIS 73 -6.324 -11.252 0.648 561 HA HIS 73 HA HIS 73 -3.952 -9.825 0.228 562 HB2 HIS 73 1HB HIS 73 -6.836 -9.177 -0.365 563 HB3 HIS 73 2HB HIS 73 -5.523 -8.093 -0.815 564 HD1 HIS 73 1HD HIS 73 -7.403 -9.552 -2.872 565 HD2 HIS 73 2HD HIS 73 -3.596 -10.796 -1.765 566 HE1 HIS 73 1HE HIS 73 -6.580 -10.973 -4.777 567 HE2 HIS 73 2HE HIS 73 -4.309 -11.783 -4.047 568 H ARG 74 H ARG 74 -6.884 -8.792 1.981 569 HA ARG 74 HA ARG 74 -5.972 -6.356 2.907 570 HB2 ARG 74 1HB ARG 74 -7.953 -8.341 3.951 571 HB3 ARG 74 2HB ARG 74 -7.534 -6.948 4.939 572 HG2 ARG 74 1HG ARG 74 -8.068 -5.592 2.789 573 HG3 ARG 74 2HG ARG 74 -8.944 -7.048 2.313 574 HD2 ARG 74 1HD ARG 74 -9.390 -5.365 4.772 575 HD3 ARG 74 2HD ARG 74 -10.476 -5.553 3.396 576 HE ARG 74 HE ARG 74 -10.280 -7.268 5.647 577 HH11 ARG 74 2HH1 ARG 74 -10.827 -7.277 2.209 578 HH12 ARG 74 1HH1 ARG 74 -11.767 -8.732 2.231 579 HH21 ARG 74 1HH2 ARG 74 -12.159 -9.815 4.211 580 HH22 ARG 74 2HH2 ARG 74 -11.516 -9.184 5.689 581 H ARG 75 H ARG 75 -5.599 -9.555 4.393 582 HA ARG 75 HA ARG 75 -4.394 -8.800 6.775 583 HB2 ARG 75 1HB ARG 75 -4.845 -11.034 6.807 584 HB3 ARG 75 2HB ARG 75 -4.426 -11.251 5.113 585 HG2 ARG 75 1HG ARG 75 -2.908 -12.434 6.650 586 HG3 ARG 75 2HG ARG 75 -2.080 -11.250 5.638 587 HD2 ARG 75 1HD ARG 75 -1.589 -9.891 7.392 588 HD3 ARG 75 2HD ARG 75 -3.057 -10.316 8.271 589 HE ARG 75 HE ARG 75 -1.050 -12.399 8.084 590 HH11 ARG 75 2HH1 ARG 75 -2.389 -9.778 9.944 591 HH12 ARG 75 1HH1 ARG 75 -1.729 -10.334 11.446 592 HH21 ARG 75 1HH2 ARG 75 -0.469 -12.247 11.508 593 HH22 ARG 75 2HH2 ARG 75 -0.176 -13.141 10.055 594 H VAL 76 H VAL 76 -2.740 -9.840 3.787 595 HA VAL 76 HA VAL 76 -0.137 -9.326 4.597 596 HB VAL 76 HB VAL 76 -1.234 -9.008 1.800 597 HG11 VAL 76 1HG1 VAL 76 1.498 -9.059 2.951 598 HG12 VAL 76 2HG1 VAL 76 1.242 -9.903 1.422 599 HG13 VAL 76 3HG1 VAL 76 0.872 -8.183 1.555 600 HG21 VAL 76 3HG2 VAL 76 -0.007 -11.463 3.044 601 HG22 VAL 76 1HG2 VAL 76 -1.745 -11.194 2.912 602 HG23 VAL 76 2HG2 VAL 76 -0.759 -11.322 1.455 603 H ILE 77 H ILE 77 -2.241 -7.189 2.662 604 HA ILE 77 HA ILE 77 -0.581 -4.998 2.482 605 HB ILE 77 HB ILE 77 -3.576 -5.189 2.636 606 HG12 ILE 77 1HG1 ILE 77 -1.783 -4.308 0.371 607 HG13 ILE 77 2HG1 ILE 77 -2.255 -5.985 0.622 608 HG21 ILE 77 1HG2 ILE 77 -3.238 -2.715 1.663 609 HG22 ILE 77 2HG2 ILE 77 -3.517 -3.052 3.371 610 HG23 ILE 77 3HG2 ILE 77 -1.877 -2.779 2.782 611 HD11 ILE 77 3HD1 ILE 77 -3.678 -5.027 -1.033 612 HD12 ILE 77 1HD1 ILE 77 -4.626 -5.278 0.433 613 HD13 ILE 77 2HD1 ILE 77 -4.061 -3.660 0.014 614 H LEU 78 H LEU 78 -3.337 -5.004 4.731 615 HA LEU 78 HA LEU 78 -2.648 -2.937 6.333 616 HB2 LEU 78 1HB LEU 78 -4.080 -5.487 6.827 617 HB3 LEU 78 2HB LEU 78 -3.634 -4.522 8.233 618 HG LEU 78 HG LEU 78 -5.895 -4.010 7.629 619 HD11 LEU 78 1HD1 LEU 78 -5.683 -1.797 7.915 620 HD12 LEU 78 2HD1 LEU 78 -4.672 -1.604 6.483 621 HD13 LEU 78 3HD1 LEU 78 -3.957 -2.148 8.001 622 HD21 LEU 78 3HD2 LEU 78 -5.152 -2.925 4.968 623 HD22 LEU 78 1HD2 LEU 78 -6.675 -3.617 5.527 624 HD23 LEU 78 2HD2 LEU 78 -5.321 -4.674 5.127 625 H THR 79 H THR 79 -1.799 -6.309 7.143 626 HA THR 79 HA THR 79 -0.193 -5.908 9.303 627 HB THR 79 HB THR 79 0.102 -7.902 7.063 628 HG1 THR 79 1HG THR 79 -0.561 -9.250 8.986 629 HG21 THR 79 3HG2 THR 79 1.851 -7.429 9.427 630 HG22 THR 79 1HG2 THR 79 2.270 -7.994 7.810 631 HG23 THR 79 2HG2 THR 79 1.507 -9.094 8.958 632 H GLU 80 H GLU 80 1.096 -6.179 5.982 633 HA GLU 80 HA GLU 80 3.699 -5.452 6.493 634 HB2 GLU 80 1HB GLU 80 1.976 -4.966 4.068 635 HB3 GLU 80 2HB GLU 80 3.686 -4.561 4.102 636 HG2 GLU 80 1HG GLU 80 2.879 -7.310 4.879 637 HG3 GLU 80 2HG GLU 80 2.820 -6.867 3.174 638 H LEU 81 H LEU 81 0.924 -3.344 5.894 639 HA LEU 81 HA LEU 81 2.316 -0.908 5.802 640 HB2 LEU 81 1HB LEU 81 -0.197 -1.560 5.322 641 HB3 LEU 81 2HB LEU 81 -0.410 -1.032 6.990 642 HG LEU 81 HG LEU 81 0.747 1.141 6.218 643 HD11 LEU 81 1HD1 LEU 81 -0.065 -0.049 3.573 644 HD12 LEU 81 2HD1 LEU 81 1.559 0.412 4.082 645 HD13 LEU 81 3HD1 LEU 81 0.330 1.651 3.827 646 HD21 LEU 81 3HD2 LEU 81 -1.376 1.666 6.694 647 HD22 LEU 81 1HD2 LEU 81 -2.007 0.202 5.939 648 HD23 LEU 81 2HD2 LEU 81 -1.628 1.612 4.949 649 H GLU 82 H GLU 82 0.943 -2.723 8.504 650 HA GLU 82 HA GLU 82 1.302 -0.798 10.506 651 HB2 GLU 82 1HB GLU 82 -0.055 -2.727 10.943 652 HB3 GLU 82 2HB GLU 82 1.291 -3.814 10.632 653 HG2 GLU 82 1HG GLU 82 2.254 -3.438 12.664 654 HG3 GLU 82 2HG GLU 82 1.578 -1.816 12.809 655 H ARG 83 H ARG 83 3.588 -2.624 8.762 656 HA ARG 83 HA ARG 83 5.653 -2.362 10.806 657 HB2 ARG 83 1HB ARG 83 5.944 -3.514 8.032 658 HB3 ARG 83 2HB ARG 83 7.020 -3.740 9.404 659 HG2 ARG 83 1HG ARG 83 5.063 -4.867 10.563 660 HG3 ARG 83 2HG ARG 83 4.278 -4.881 8.983 661 HD2 ARG 83 1HD ARG 83 5.934 -6.275 8.057 662 HD3 ARG 83 2HD ARG 83 7.033 -5.998 9.408 663 HE ARG 83 HE ARG 83 5.049 -8.001 9.242 664 HH11 ARG 83 2HH1 ARG 83 6.482 -5.759 11.486 665 HH12 ARG 83 1HH1 ARG 83 6.150 -6.737 12.877 666 HH21 ARG 83 1HH2 ARG 83 5.083 -8.750 12.636 667 HH22 ARG 83 2HH2 ARG 83 4.606 -9.298 11.065 668 H VAL 84 H VAL 84 5.313 -1.541 7.349 669 HA VAL 84 HA VAL 84 7.540 0.085 7.110 670 HB VAL 84 HB VAL 84 6.247 1.252 5.268 671 HG11 VAL 84 1HG1 VAL 84 7.103 -0.345 3.985 672 HG12 VAL 84 2HG1 VAL 84 7.324 -1.337 5.428 673 HG13 VAL 84 3HG1 VAL 84 5.842 -1.474 4.481 674 HG21 VAL 84 3HG2 VAL 84 4.152 -0.463 4.827 675 HG22 VAL 84 1HG2 VAL 84 4.088 -0.216 6.572 676 HG23 VAL 84 2HG2 VAL 84 4.020 1.169 5.482 677 H ARG 85 H ARG 85 4.302 0.890 8.257 678 HA ARG 85 HA ARG 85 4.825 3.696 8.478 679 HB2 ARG 85 1HB ARG 85 2.651 3.899 9.283 680 HB3 ARG 85 2HB ARG 85 2.548 2.480 8.250 681 HG2 ARG 85 1HG ARG 85 2.686 1.027 10.185 682 HG3 ARG 85 2HG ARG 85 2.871 2.427 11.243 683 HD2 ARG 85 1HD ARG 85 0.497 2.179 9.435 684 HD3 ARG 85 2HD ARG 85 0.537 1.336 10.982 685 HE ARG 85 HE ARG 85 1.213 4.014 11.421 686 HH11 ARG 85 2HH1 ARG 85 -1.522 2.095 10.442 687 HH12 ARG 85 1HH1 ARG 85 -2.693 3.205 11.075 688 HH21 ARG 85 1HH2 ARG 85 -2.007 5.132 12.107 689 HH22 ARG 85 2HH2 ARG 85 -0.318 5.483 12.258 690 H SER 86 H SER 86 4.666 0.996 10.778 691 HA SER 86 HA SER 86 5.206 2.542 13.082 692 HB2 SER 86 1HB SER 86 4.233 0.413 13.446 693 HB3 SER 86 2HB SER 86 5.459 -0.402 12.475 694 HG SER 86 HG SER 86 6.042 -0.746 14.560 695 H GLY 87 H GLY 87 7.231 1.838 14.477 696 HA2 GLY 87 1HA GLY 87 9.535 2.714 12.931 697 HA3 GLY 87 2HA GLY 87 9.442 2.579 14.681 698 HA PRO 88 HA PRO 88 12.063 -0.902 13.117 699 HB2 PRO 88 2HB PRO 88 13.987 0.300 13.479 700 HB3 PRO 88 1HB PRO 88 13.994 -0.599 15.001 701 HG2 PRO 88 1HG PRO 88 13.087 1.171 16.198 702 HG3 PRO 88 2HG PRO 88 14.032 2.065 14.993 703 HD2 PRO 88 1HD PRO 88 11.378 2.464 15.352 704 HD3 PRO 88 2HD PRO 88 12.165 2.638 13.770 705 H SER 89 H SER 89 12.853 -2.813 14.371 706 HA SER 89 HA SER 89 11.466 -3.224 16.915 707 HB2 SER 89 1HB SER 89 11.082 -4.856 14.413 708 HB3 SER 89 2HB SER 89 10.803 -5.549 16.011 709 HG SER 89 HG SER 89 9.361 -3.613 14.627 710 H SER 90 H SER 90 13.040 -3.745 18.276 711 HA SER 90 HA SER 90 15.590 -4.536 17.755 712 HB2 SER 90 1HB SER 90 14.316 -4.032 20.023 713 HB3 SER 90 2HB SER 90 14.254 -5.792 20.116 714 HG SER 90 HG SER 90 16.463 -5.867 20.102 715 H GLY 91 H GLY 91 16.579 -6.296 16.999 716 HA2 GLY 91 1HA GLY 91 16.966 -8.483 16.391 717 HA3 GLY 91 2HA GLY 91 15.655 -8.950 17.464 Start of MODEL 8 1 H1 GLY 1 H GLY 1 5.406 0.028 -21.015 2 HA2 GLY 1 1HA GLY 1 7.558 -0.527 -21.985 3 HA3 GLY 1 2HA GLY 1 7.855 0.287 -20.456 4 H SER 2 H SER 2 7.641 -2.853 -22.032 5 HA SER 2 HA SER 2 8.421 -4.423 -19.829 6 HB2 SER 2 1HB SER 2 8.896 -6.171 -21.464 7 HB3 SER 2 2HB SER 2 7.396 -5.346 -21.888 8 HG SER 2 HG SER 2 9.909 -5.232 -23.133 9 H SER 3 H SER 3 10.185 -2.307 -21.865 10 HA SER 3 HA SER 3 12.755 -3.520 -21.515 11 HB2 SER 3 1HB SER 3 13.605 -1.355 -22.443 12 HB3 SER 3 2HB SER 3 12.385 -2.127 -23.455 13 HG SER 3 HG SER 3 12.145 0.208 -23.025 14 H GLY 4 H GLY 4 13.954 -3.477 -19.740 15 HA2 GLY 4 1HA GLY 4 14.810 -2.850 -17.705 16 HA3 GLY 4 2HA GLY 4 14.529 -1.196 -18.230 17 H SER 5 H SER 5 14.280 -1.558 -15.636 18 HA SER 5 HA SER 5 11.525 -0.967 -15.140 19 HB2 SER 5 1HB SER 5 12.629 -3.640 -14.424 20 HB3 SER 5 2HB SER 5 11.578 -2.852 -13.247 21 HG SER 5 HG SER 5 10.742 -4.256 -15.181 22 H SER 6 H SER 6 11.166 -0.610 -12.721 23 HA SER 6 HA SER 6 13.640 0.202 -11.368 24 HB2 SER 6 1HB SER 6 11.192 1.962 -11.648 25 HB3 SER 6 2HB SER 6 12.653 2.356 -10.743 26 HG SER 6 HG SER 6 13.368 3.126 -12.553 27 H GLY 7 H GLY 7 13.224 0.776 -9.038 28 HA2 GLY 7 1HA GLY 7 11.211 0.459 -7.397 29 HA3 GLY 7 2HA GLY 7 11.369 -1.208 -7.933 30 H GLU 8 H GLU 8 11.939 0.528 -5.369 31 HA GLU 8 HA GLU 8 14.486 -0.823 -4.765 32 HB2 GLU 8 1HB GLU 8 13.590 1.918 -3.858 33 HB3 GLU 8 2HB GLU 8 15.010 1.082 -3.245 34 HG2 GLU 8 1HG GLU 8 15.998 2.372 -4.821 35 HG3 GLU 8 2HG GLU 8 15.612 0.968 -5.814 36 H HIS 9 H HIS 9 14.548 -2.004 -2.940 37 HA HIS 9 HA HIS 9 12.172 -1.923 -1.201 38 HB2 HIS 9 1HB HIS 9 12.481 -4.031 -2.497 39 HB3 HIS 9 2HB HIS 9 14.023 -4.266 -1.680 40 HD1 HIS 9 1HD HIS 9 13.579 -6.224 -0.208 41 HD2 HIS 9 2HD HIS 9 10.587 -3.354 0.052 42 HE1 HIS 9 1HE HIS 9 12.061 -7.001 1.640 43 HE2 HIS 9 2HE HIS 9 10.212 -5.293 1.722 44 H GLY 10 H GLY 10 13.029 -0.353 0.202 45 HA2 GLY 10 1HA GLY 10 14.309 -1.234 2.474 46 HA3 GLY 10 2HA GLY 10 15.593 -0.644 1.429 47 H LEU 11 H LEU 11 14.522 1.550 0.263 48 HA LEU 11 HA LEU 11 14.661 3.466 2.360 49 HB2 LEU 11 1HB LEU 11 14.619 5.096 0.694 50 HB3 LEU 11 2HB LEU 11 15.424 3.719 -0.055 51 HG LEU 11 HG LEU 11 14.001 4.590 -1.706 52 HD11 LEU 11 1HD1 LEU 11 12.691 2.243 -0.353 53 HD12 LEU 11 2HD1 LEU 11 13.854 2.218 -1.678 54 HD13 LEU 11 3HD1 LEU 11 12.225 2.838 -1.946 55 HD21 LEU 11 3HD2 LEU 11 12.601 5.746 0.267 56 HD22 LEU 11 1HD2 LEU 11 11.501 4.430 -0.143 57 HD23 LEU 11 2HD2 LEU 11 11.996 5.583 -1.383 58 H LEU 12 H LEU 12 12.169 1.531 1.418 59 HA LEU 12 HA LEU 12 9.985 3.364 1.511 60 HB2 LEU 12 1HB LEU 12 10.221 0.380 1.682 61 HB3 LEU 12 2HB LEU 12 8.675 1.189 1.929 62 HG LEU 12 HG LEU 12 10.316 1.486 -0.580 63 HD11 LEU 12 1HD1 LEU 12 9.787 -0.810 -0.506 64 HD12 LEU 12 2HD1 LEU 12 8.571 -0.069 -1.545 65 HD13 LEU 12 3HD1 LEU 12 8.167 -0.496 0.118 66 HD21 LEU 12 3HD2 LEU 12 8.707 2.851 -1.309 67 HD22 LEU 12 1HD2 LEU 12 8.213 2.973 0.380 68 HD23 LEU 12 2HD2 LEU 12 7.423 1.812 -0.688 69 H VAL 13 H VAL 13 11.004 0.825 3.806 70 HA VAL 13 HA VAL 13 9.326 1.538 5.900 71 HB VAL 13 HB VAL 13 10.974 0.415 7.394 72 HG11 VAL 13 1HG1 VAL 13 9.637 -1.246 6.696 73 HG12 VAL 13 2HG1 VAL 13 9.729 -0.741 5.008 74 HG13 VAL 13 3HG1 VAL 13 11.016 -1.724 5.707 75 HG21 VAL 13 3HG2 VAL 13 12.604 0.264 4.862 76 HG22 VAL 13 1HG2 VAL 13 13.038 1.085 6.361 77 HG23 VAL 13 2HG2 VAL 13 12.932 -0.674 6.318 78 H HIS 14 H HIS 14 12.604 2.669 5.165 79 HA HIS 14 HA HIS 14 13.036 4.216 7.441 80 HB2 HIS 14 1HB HIS 14 14.921 3.918 6.102 81 HB3 HIS 14 2HB HIS 14 14.064 4.353 4.626 82 HD1 HIS 14 1HD HIS 14 14.261 6.726 3.863 83 HD2 HIS 14 2HD HIS 14 15.538 6.210 7.783 84 HE1 HIS 14 1HE HIS 14 15.279 8.925 4.534 85 HE2 HIS 14 2HE HIS 14 16.121 8.562 6.880 86 H LYS 15 H LYS 15 11.499 5.081 4.366 87 HA LYS 15 HA LYS 15 10.880 7.748 5.339 88 HB2 LYS 15 1HB LYS 15 11.557 7.476 3.006 89 HB3 LYS 15 2HB LYS 15 10.212 6.377 2.727 90 HG2 LYS 15 1HG LYS 15 8.704 8.315 3.404 91 HG3 LYS 15 2HG LYS 15 10.136 9.333 3.228 92 HD2 LYS 15 1HD LYS 15 10.323 8.160 0.899 93 HD3 LYS 15 2HD LYS 15 8.609 7.822 1.150 94 HE2 LYS 15 1HE LYS 15 8.443 9.833 0.089 95 HE3 LYS 15 2HE LYS 15 8.562 10.396 1.756 96 HZ1 LYS 15 3HZ LYS 15 10.440 11.447 1.285 97 HZ2 LYS 15 1HZ LYS 15 10.206 11.076 -0.350 98 HZ3 LYS 15 2HZ LYS 15 11.140 10.056 0.623 99 H ALA 16 H ALA 16 8.870 8.500 5.872 100 HA ALA 16 HA ALA 16 6.991 6.654 6.893 101 HB1 ALA 16 3HB ALA 16 7.320 8.931 7.788 102 HB2 ALA 16 1HB ALA 16 6.580 9.587 6.327 103 HB3 ALA 16 2HB ALA 16 5.631 8.579 7.420 104 H VAL 17 H VAL 17 5.132 5.838 6.081 105 HA VAL 17 HA VAL 17 4.756 5.708 3.298 106 HB VAL 17 HB VAL 17 2.799 5.062 5.507 107 HG11 VAL 17 1HG1 VAL 17 2.469 5.135 2.662 108 HG12 VAL 17 2HG1 VAL 17 2.329 3.473 3.239 109 HG13 VAL 17 3HG1 VAL 17 1.291 4.731 3.911 110 HG21 VAL 17 3HG2 VAL 17 4.912 3.802 5.613 111 HG22 VAL 17 1HG2 VAL 17 3.536 2.769 5.228 112 HG23 VAL 17 2HG2 VAL 17 4.655 3.258 3.956 113 H ASP 18 H ASP 18 3.424 7.816 5.751 114 HA ASP 18 HA ASP 18 1.292 8.875 4.220 115 HB2 ASP 18 1HB ASP 18 1.673 10.873 5.893 116 HB3 ASP 18 2HB ASP 18 1.035 9.334 6.467 117 H LYS 19 H LYS 19 4.534 9.059 3.679 118 HA LYS 19 HA LYS 19 4.312 11.683 2.354 119 HB2 LYS 19 1HB LYS 19 6.566 10.335 3.770 120 HB3 LYS 19 2HB LYS 19 6.949 11.381 2.409 121 HG2 LYS 19 1HG LYS 19 7.094 12.602 4.493 122 HG3 LYS 19 2HG LYS 19 5.775 13.229 3.501 123 HD2 LYS 19 1HD LYS 19 4.137 12.238 4.856 124 HD3 LYS 19 2HD LYS 19 5.302 11.154 5.620 125 HE2 LYS 19 1HE LYS 19 4.882 12.780 7.245 126 HE3 LYS 19 2HE LYS 19 6.408 13.282 6.518 127 HZ1 LYS 19 3HZ LYS 19 5.420 15.040 5.442 128 HZ2 LYS 19 1HZ LYS 19 4.539 15.007 6.887 129 HZ3 LYS 19 2HZ LYS 19 3.874 14.354 5.476 130 H TRP 20 H TRP 20 3.989 8.588 1.647 131 HA TRP 20 HA TRP 20 5.780 8.294 -0.577 132 HB2 TRP 20 1HB TRP 20 3.352 6.710 0.282 133 HB3 TRP 20 2HB TRP 20 4.385 6.270 -1.075 134 HD1 TRP 20 HD TRP 20 6.512 7.613 1.609 135 HE1 TRP 20 1HE TRP 20 7.622 5.707 2.936 136 HE3 TRP 20 3HE TRP 20 3.709 3.695 -0.101 137 HZ2 TRP 20 2HZ TRP 20 7.345 2.912 3.220 138 HZ3 TRP 20 3HZ TRP 20 4.196 1.437 0.747 139 HH2 TRP 20 HH TRP 20 5.977 1.056 2.373 140 H THR 21 H THR 21 4.845 7.749 -2.785 141 HA THR 21 HA THR 21 2.687 9.648 -3.441 142 HB THR 21 HB THR 21 3.844 9.793 -5.722 143 HG1 THR 21 1HG THR 21 5.360 7.972 -4.809 144 HG21 THR 21 3HG2 THR 21 4.988 10.969 -3.201 145 HG22 THR 21 1HG2 THR 21 3.895 11.717 -4.365 146 HG23 THR 21 2HG2 THR 21 5.579 11.426 -4.798 147 H THR 22 H THR 22 1.398 9.121 -5.313 148 HA THR 22 HA THR 22 0.191 6.724 -5.358 149 HB THR 22 HB THR 22 0.738 8.049 -8.000 150 HG1 THR 22 1HG THR 22 -1.312 8.983 -6.314 151 HG21 THR 22 3HG2 THR 22 -1.450 7.340 -8.561 152 HG22 THR 22 1HG2 THR 22 -1.845 6.979 -6.881 153 HG23 THR 22 2HG2 THR 22 -0.694 5.966 -7.754 154 H GLU 23 H GLU 23 3.306 7.435 -6.747 155 HA GLU 23 HA GLU 23 3.489 5.015 -8.275 156 HB2 GLU 23 1HB GLU 23 4.782 7.311 -8.506 157 HB3 GLU 23 2HB GLU 23 5.914 6.528 -7.412 158 HG2 GLU 23 1HG GLU 23 6.180 4.689 -8.987 159 HG3 GLU 23 2HG GLU 23 5.028 5.454 -10.081 160 H GLU 24 H GLU 24 5.185 6.164 -5.351 161 HA GLU 24 HA GLU 24 6.456 3.752 -4.746 162 HB2 GLU 24 1HB GLU 24 5.571 6.000 -2.933 163 HB3 GLU 24 2HB GLU 24 6.598 4.671 -2.414 164 HG2 GLU 24 1HG GLU 24 7.213 6.960 -4.204 165 HG3 GLU 24 2HG GLU 24 8.159 6.267 -2.888 166 H VAL 25 H VAL 25 3.280 4.978 -3.805 167 HA VAL 25 HA VAL 25 2.539 3.136 -1.897 168 HB VAL 25 HB VAL 25 0.812 4.360 -4.051 169 HG11 VAL 25 1HG1 VAL 25 0.009 2.987 -1.488 170 HG12 VAL 25 2HG1 VAL 25 -1.080 3.853 -2.572 171 HG13 VAL 25 3HG1 VAL 25 -0.267 2.388 -3.123 172 HG21 VAL 25 3HG2 VAL 25 1.181 6.239 -2.910 173 HG22 VAL 25 1HG2 VAL 25 0.245 5.523 -1.598 174 HG23 VAL 25 2HG2 VAL 25 2.003 5.373 -1.612 175 H VAL 26 H VAL 26 2.193 2.847 -5.425 176 HA VAL 26 HA VAL 26 1.072 0.232 -5.334 177 HB VAL 26 HB VAL 26 2.416 1.688 -7.615 178 HG11 VAL 26 1HG1 VAL 26 0.858 -0.884 -7.528 179 HG12 VAL 26 2HG1 VAL 26 1.095 0.044 -9.010 180 HG13 VAL 26 3HG1 VAL 26 2.486 -0.615 -8.149 181 HG21 VAL 26 3HG2 VAL 26 0.125 2.402 -6.388 182 HG22 VAL 26 1HG2 VAL 26 0.434 2.653 -8.106 183 HG23 VAL 26 2HG2 VAL 26 -0.502 1.256 -7.573 184 H LEU 27 H LEU 27 4.330 1.502 -5.569 185 HA LEU 27 HA LEU 27 5.649 -0.833 -6.392 186 HB2 LEU 27 1HB LEU 27 6.427 1.679 -5.024 187 HB3 LEU 27 2HB LEU 27 7.552 0.325 -4.930 188 HG LEU 27 HG LEU 27 6.556 1.651 -7.451 189 HD11 LEU 27 1HD1 LEU 27 8.165 3.116 -6.932 190 HD12 LEU 27 2HD1 LEU 27 9.277 1.835 -7.412 191 HD13 LEU 27 3HD1 LEU 27 8.871 2.057 -5.710 192 HD21 LEU 27 3HD2 LEU 27 8.295 -0.752 -6.981 193 HD22 LEU 27 1HD2 LEU 27 8.379 0.190 -8.469 194 HD23 LEU 27 2HD2 LEU 27 6.872 -0.605 -8.013 195 H TRP 28 H TRP 28 5.186 0.475 -3.109 196 HA TRP 28 HA TRP 28 6.395 -1.601 -1.706 197 HB2 TRP 28 1HB TRP 28 5.912 0.299 -0.434 198 HB3 TRP 28 2HB TRP 28 4.248 0.377 -1.006 199 HD1 TRP 28 HD TRP 28 6.458 -1.572 1.470 200 HE1 TRP 28 1HE TRP 28 4.935 -2.626 3.257 201 HE3 TRP 28 3HE TRP 28 1.909 -0.373 -0.532 202 HZ2 TRP 28 2HZ TRP 28 2.170 -2.912 3.752 203 HZ3 TRP 28 3HZ TRP 28 -0.126 -1.075 0.660 204 HH2 TRP 28 HH TRP 28 0.004 -2.318 2.758 205 H LEU 29 H LEU 29 3.074 -1.278 -2.866 206 HA LEU 29 HA LEU 29 2.169 -3.699 -1.638 207 HB2 LEU 29 1HB LEU 29 0.533 -2.052 -2.055 208 HB3 LEU 29 2HB LEU 29 1.028 -1.878 -3.737 209 HG LEU 29 HG LEU 29 0.221 -4.358 -3.929 210 HD11 LEU 29 1HD1 LEU 29 -0.151 -4.693 -1.543 211 HD12 LEU 29 2HD1 LEU 29 -1.653 -4.863 -2.451 212 HD13 LEU 29 3HD1 LEU 29 -1.338 -3.388 -1.537 213 HD21 LEU 29 3HD2 LEU 29 -2.232 -2.988 -3.808 214 HD22 LEU 29 1HD2 LEU 29 -1.220 -3.278 -5.223 215 HD23 LEU 29 2HD2 LEU 29 -1.016 -1.801 -4.281 216 H GLU 30 H GLU 30 3.695 -2.864 -4.638 217 HA GLU 30 HA GLU 30 2.991 -5.292 -6.002 218 HB2 GLU 30 1HB GLU 30 4.755 -2.953 -6.570 219 HB3 GLU 30 2HB GLU 30 5.023 -4.438 -7.473 220 HG2 GLU 30 1HG GLU 30 2.539 -4.360 -8.021 221 HG3 GLU 30 2HG GLU 30 2.580 -2.703 -7.421 222 H GLN 31 H GLN 31 4.705 -4.996 -3.355 223 HA GLN 31 HA GLN 31 6.824 -6.865 -4.181 224 HB2 GLN 31 1HB GLN 31 6.687 -4.814 -1.995 225 HB3 GLN 31 2HB GLN 31 7.798 -6.171 -1.875 226 HG2 GLN 31 1HG GLN 31 8.898 -5.508 -3.914 227 HG3 GLN 31 2HG GLN 31 7.728 -4.211 -4.156 228 HE21 GLN 31 2HE2 GLN 31 9.190 -2.014 -1.852 229 HE22 GLN 31 1HE2 GLN 31 7.761 -2.422 -2.733 230 H LEU 32 H LEU 32 4.116 -6.352 -2.063 231 HA LEU 32 HA LEU 32 4.562 -8.449 -0.243 232 HB2 LEU 32 1HB LEU 32 1.815 -7.651 -1.112 233 HB3 LEU 32 2HB LEU 32 2.386 -8.112 0.490 234 HG LEU 32 HG LEU 32 2.782 -5.481 -0.921 235 HD11 LEU 32 1HD1 LEU 32 1.357 -6.315 1.597 236 HD12 LEU 32 2HD1 LEU 32 0.646 -5.648 0.128 237 HD13 LEU 32 3HD1 LEU 32 1.671 -4.638 1.149 238 HD21 LEU 32 3HD2 LEU 32 4.454 -4.898 0.461 239 HD22 LEU 32 1HD2 LEU 32 4.703 -6.638 0.606 240 HD23 LEU 32 2HD2 LEU 32 3.768 -5.776 1.829 241 H GLY 33 H GLY 33 3.376 -8.405 -3.507 242 HA2 GLY 33 1HA GLY 33 3.725 -11.141 -3.923 243 HA3 GLY 33 2HA GLY 33 2.035 -10.895 -3.511 244 HA PRO 34 HA PRO 34 2.985 -10.056 -8.100 245 HB2 PRO 34 2HB PRO 34 3.623 -12.185 -8.682 246 HB3 PRO 34 1HB PRO 34 1.923 -12.327 -9.143 247 HG2 PRO 34 1HG PRO 34 1.349 -13.420 -7.177 248 HG3 PRO 34 2HG PRO 34 3.005 -14.018 -7.391 249 HD2 PRO 34 1HD PRO 34 2.189 -12.768 -5.132 250 HD3 PRO 34 2HD PRO 34 3.850 -12.641 -5.747 251 H TRP 35 H TRP 35 0.291 -11.237 -6.231 252 HA TRP 35 HA TRP 35 -1.748 -10.701 -8.132 253 HB2 TRP 35 1HB TRP 35 -3.243 -10.743 -6.067 254 HB3 TRP 35 2HB TRP 35 -2.305 -12.199 -6.386 255 HD1 TRP 35 HD TRP 35 -0.966 -13.109 -4.399 256 HE1 TRP 35 1HE TRP 35 -0.223 -12.197 -2.110 257 HE3 TRP 35 3HE TRP 35 -2.529 -8.269 -4.909 258 HZ2 TRP 35 2HZ TRP 35 -0.291 -9.749 -0.706 259 HZ3 TRP 35 3HZ TRP 35 -2.153 -6.706 -3.046 260 HH2 TRP 35 HH TRP 35 -1.058 -7.432 -0.989 261 H ALA 36 H ALA 36 0.178 -8.684 -6.198 262 HA ALA 36 HA ALA 36 -1.522 -6.574 -5.565 263 HB1 ALA 36 3HB ALA 36 0.606 -5.171 -5.755 264 HB2 ALA 36 1HB ALA 36 0.614 -6.515 -4.612 265 HB3 ALA 36 2HB ALA 36 1.414 -6.681 -6.175 266 H SER 37 H SER 37 0.176 -7.304 -8.571 267 HA SER 37 HA SER 37 -0.331 -4.893 -9.910 268 HB2 SER 37 1HB SER 37 1.217 -6.851 -10.583 269 HB3 SER 37 2HB SER 37 -0.224 -7.551 -11.320 270 HG SER 37 HG SER 37 0.012 -6.218 -12.914 271 H LEU 38 H LEU 38 -2.460 -7.320 -8.924 272 HA LEU 38 HA LEU 38 -4.407 -6.896 -11.027 273 HB2 LEU 38 1HB LEU 38 -4.606 -8.439 -8.445 274 HB3 LEU 38 2HB LEU 38 -5.805 -8.444 -9.737 275 HG LEU 38 HG LEU 38 -2.988 -9.349 -10.236 276 HD11 LEU 38 1HD1 LEU 38 -5.192 -11.230 -9.468 277 HD12 LEU 38 2HD1 LEU 38 -4.104 -10.546 -8.261 278 HD13 LEU 38 3HD1 LEU 38 -3.457 -11.532 -9.572 279 HD21 LEU 38 3HD2 LEU 38 -3.912 -9.359 -12.284 280 HD22 LEU 38 1HD2 LEU 38 -5.560 -9.351 -11.656 281 HD23 LEU 38 2HD2 LEU 38 -4.657 -10.864 -11.743 282 H TYR 39 H TYR 39 -3.513 -5.324 -8.206 283 HA TYR 39 HA TYR 39 -6.171 -4.071 -7.970 284 HB2 TYR 39 1HB TYR 39 -4.058 -4.353 -5.822 285 HB3 TYR 39 2HB TYR 39 -5.625 -3.575 -5.630 286 HD1 TYR 39 1HD TYR 39 -4.003 -6.837 -6.348 287 HD2 TYR 39 2HD TYR 39 -7.527 -4.833 -5.057 288 HE1 TYR 39 1HE TYR 39 -4.986 -8.996 -5.700 289 HE2 TYR 39 2HE TYR 39 -8.520 -6.986 -4.405 290 HH TYR 39 HH TYR 39 -7.958 -9.197 -3.906 291 H ARG 40 H ARG 40 -2.766 -3.614 -8.398 292 HA ARG 40 HA ARG 40 -2.214 -1.064 -7.731 293 HB2 ARG 40 1HB ARG 40 -0.590 -1.003 -9.437 294 HB3 ARG 40 2HB ARG 40 -0.769 -2.707 -9.043 295 HG2 ARG 40 1HG ARG 40 -2.321 -2.910 -10.992 296 HG3 ARG 40 2HG ARG 40 -1.889 -1.255 -11.425 297 HD2 ARG 40 1HD ARG 40 0.564 -2.242 -11.187 298 HD3 ARG 40 2HD ARG 40 -0.278 -3.745 -11.565 299 HE ARG 40 HE ARG 40 -1.161 -2.030 -13.468 300 HH11 ARG 40 2HH1 ARG 40 2.000 -2.987 -12.367 301 HH12 ARG 40 1HH1 ARG 40 2.750 -2.759 -13.912 302 HH21 ARG 40 1HH2 ARG 40 1.507 -2.041 -15.698 303 HH22 ARG 40 2HH2 ARG 40 -0.185 -1.727 -15.508 304 H ASP 41 H ASP 41 -4.109 -2.057 -10.552 305 HA ASP 41 HA ASP 41 -4.446 0.327 -11.858 306 HB2 ASP 41 1HB ASP 41 -6.830 -1.443 -11.447 307 HB3 ASP 41 2HB ASP 41 -6.296 -0.615 -12.907 308 H ARG 42 H ARG 42 -6.229 -0.836 -9.025 309 HA ARG 42 HA ARG 42 -8.044 1.307 -8.857 310 HB2 ARG 42 1HB ARG 42 -6.973 -0.307 -6.539 311 HB3 ARG 42 2HB ARG 42 -8.512 0.541 -6.628 312 HG2 ARG 42 1HG ARG 42 -9.122 -1.013 -8.518 313 HG3 ARG 42 2HG ARG 42 -7.684 -1.944 -8.097 314 HD2 ARG 42 1HD ARG 42 -10.189 -1.508 -6.520 315 HD3 ARG 42 2HD ARG 42 -9.374 -3.019 -6.920 316 HE ARG 42 HE ARG 42 -7.904 -1.221 -5.188 317 HH11 ARG 42 2HH1 ARG 42 -10.061 -3.943 -5.429 318 HH12 ARG 42 1HH1 ARG 42 -9.688 -4.545 -3.848 319 HH21 ARG 42 1HH2 ARG 42 -8.176 -3.441 -2.526 320 HH22 ARG 42 2HH2 ARG 42 -7.404 -2.004 -3.105 321 H PHE 43 H PHE 43 -4.901 0.775 -7.288 322 HA PHE 43 HA PHE 43 -4.851 3.096 -5.736 323 HB2 PHE 43 1HB PHE 43 -2.657 1.415 -6.935 324 HB3 PHE 43 2HB PHE 43 -2.308 2.819 -5.932 325 HD1 PHE 43 2HD PHE 43 -4.042 -0.454 -5.946 326 HD2 PHE 43 1HD PHE 43 -2.346 2.669 -3.602 327 HE1 PHE 43 2HE PHE 43 -4.285 -1.841 -3.928 328 HE2 PHE 43 1HE PHE 43 -2.586 1.286 -1.581 329 HZ PHE 43 HZ PHE 43 -3.557 -0.971 -1.742 330 H LEU 44 H LEU 44 -3.496 2.532 -8.980 331 HA LEU 44 HA LEU 44 -2.564 5.160 -9.372 332 HB2 LEU 44 1HB LEU 44 -3.308 2.962 -11.282 333 HB3 LEU 44 2HB LEU 44 -2.675 4.515 -11.826 334 HG LEU 44 HG LEU 44 -0.818 3.110 -11.833 335 HD11 LEU 44 1HD1 LEU 44 -0.493 5.254 -10.593 336 HD12 LEU 44 2HD1 LEU 44 0.647 3.979 -10.164 337 HD13 LEU 44 3HD1 LEU 44 -0.702 4.352 -9.092 338 HD21 LEU 44 3HD2 LEU 44 -1.861 1.231 -10.655 339 HD22 LEU 44 1HD2 LEU 44 -1.657 2.082 -9.124 340 HD23 LEU 44 2HD2 LEU 44 -0.241 1.568 -10.042 341 H SER 45 H SER 45 -5.473 3.569 -10.692 342 HA SER 45 HA SER 45 -6.597 5.763 -11.943 343 HB2 SER 45 1HB SER 45 -7.348 3.237 -11.807 344 HB3 SER 45 2HB SER 45 -8.389 3.836 -10.516 345 HG SER 45 HG SER 45 -8.950 3.897 -13.013 346 H GLU 46 H GLU 46 -7.140 4.642 -8.609 347 HA GLU 46 HA GLU 46 -8.690 7.007 -7.986 348 HB2 GLU 46 1HB GLU 46 -7.801 4.661 -6.304 349 HB3 GLU 46 2HB GLU 46 -8.770 5.993 -5.688 350 HG2 GLU 46 1HG GLU 46 -9.629 4.318 -8.026 351 HG3 GLU 46 2HG GLU 46 -10.008 3.894 -6.357 352 H ARG 47 H ARG 47 -5.563 6.673 -8.478 353 HA ARG 47 HA ARG 47 -3.615 7.536 -7.617 354 HB2 ARG 47 1HB ARG 47 -5.495 9.832 -7.036 355 HB3 ARG 47 2HB ARG 47 -3.748 9.940 -7.214 356 HG2 ARG 47 1HG ARG 47 -5.556 8.970 -9.409 357 HG3 ARG 47 2HG ARG 47 -5.110 10.665 -9.199 358 HD2 ARG 47 1HD ARG 47 -2.694 9.869 -9.248 359 HD3 ARG 47 2HD ARG 47 -3.326 8.327 -9.824 360 HE ARG 47 HE ARG 47 -4.426 10.071 -11.545 361 HH11 ARG 47 2HH1 ARG 47 -1.161 9.644 -10.416 362 HH12 ARG 47 1HH1 ARG 47 -0.440 10.215 -11.884 363 HH21 ARG 47 1HH2 ARG 47 -1.765 10.887 -13.628 364 HH22 ARG 47 2HH2 ARG 47 -3.489 10.824 -13.483 365 H VAL 48 H VAL 48 -4.779 5.853 -5.747 366 HA VAL 48 HA VAL 48 -5.131 7.020 -3.199 367 HB VAL 48 HB VAL 48 -4.307 4.209 -3.937 368 HG11 VAL 48 1HG1 VAL 48 -4.507 5.533 -1.368 369 HG12 VAL 48 2HG1 VAL 48 -5.595 4.148 -1.483 370 HG13 VAL 48 3HG1 VAL 48 -3.867 3.939 -1.769 371 HG21 VAL 48 3HG2 VAL 48 -7.002 5.332 -3.174 372 HG22 VAL 48 1HG2 VAL 48 -6.496 4.908 -4.810 373 HG23 VAL 48 2HG2 VAL 48 -6.645 3.653 -3.580 374 H ASN 49 H ASN 49 -3.447 8.462 -2.800 375 HA ASN 49 HA ASN 49 -0.701 7.711 -2.962 376 HB2 ASN 49 1HB ASN 49 -0.239 9.850 -1.923 377 HB3 ASN 49 2HB ASN 49 -1.502 10.061 -3.133 378 HD21 ASN 49 2HD2 ASN 49 -4.033 10.845 -0.817 379 HD22 ASN 49 1HD2 ASN 49 -3.705 10.195 -2.384 380 H GLY 50 H GLY 50 0.747 7.950 -0.975 381 HA2 GLY 50 1HA GLY 50 0.303 5.876 0.795 382 HA3 GLY 50 2HA GLY 50 1.403 7.212 1.100 383 H ARG 51 H ARG 51 -0.120 9.349 1.490 384 HA ARG 51 HA ARG 51 -0.997 9.192 4.082 385 HB2 ARG 51 1HB ARG 51 -0.679 11.228 2.417 386 HB3 ARG 51 2HB ARG 51 -2.422 11.071 2.254 387 HG2 ARG 51 1HG ARG 51 -1.105 11.283 4.938 388 HG3 ARG 51 2HG ARG 51 -1.533 12.708 3.991 389 HD2 ARG 51 1HD ARG 51 -3.853 12.063 3.980 390 HD3 ARG 51 2HD ARG 51 -3.470 10.534 4.769 391 HE ARG 51 HE ARG 51 -3.879 13.042 6.035 392 HH11 ARG 51 2HH1 ARG 51 -1.999 10.118 6.230 393 HH12 ARG 51 1HH1 ARG 51 -1.759 10.232 7.942 394 HH21 ARG 51 1HH2 ARG 51 -2.653 11.987 9.112 395 HH22 ARG 51 2HH2 ARG 51 -3.569 13.203 8.289 396 H LEU 52 H LEU 52 -2.946 8.850 1.137 397 HA LEU 52 HA LEU 52 -5.409 8.476 2.511 398 HB2 LEU 52 1HB LEU 52 -5.353 9.249 0.217 399 HB3 LEU 52 2HB LEU 52 -4.574 7.753 -0.294 400 HG LEU 52 HG LEU 52 -6.608 6.507 0.245 401 HD11 LEU 52 1HD1 LEU 52 -8.609 7.547 0.969 402 HD12 LEU 52 2HD1 LEU 52 -7.922 9.160 0.779 403 HD13 LEU 52 3HD1 LEU 52 -7.334 8.096 2.057 404 HD21 LEU 52 3HD2 LEU 52 -6.193 8.187 -1.902 405 HD22 LEU 52 1HD2 LEU 52 -7.832 8.579 -1.384 406 HD23 LEU 52 2HD2 LEU 52 -7.412 6.916 -1.794 407 H LEU 53 H LEU 53 -2.873 6.333 1.396 408 HA LEU 53 HA LEU 53 -4.273 3.899 1.621 409 HB2 LEU 53 1HB LEU 53 -1.908 4.524 0.623 410 HB3 LEU 53 2HB LEU 53 -1.362 4.028 2.224 411 HG LEU 53 HG LEU 53 -2.710 2.360 0.116 412 HD11 LEU 53 1HD1 LEU 53 -0.706 1.417 -0.194 413 HD12 LEU 53 2HD1 LEU 53 -0.348 1.381 1.532 414 HD13 LEU 53 3HD1 LEU 53 -0.072 2.856 0.605 415 HD21 LEU 53 3HD2 LEU 53 -2.544 0.523 1.858 416 HD22 LEU 53 1HD2 LEU 53 -3.834 1.706 2.081 417 HD23 LEU 53 2HD2 LEU 53 -2.364 1.809 3.052 418 H LEU 54 H LEU 54 -2.276 5.700 3.928 419 HA LEU 54 HA LEU 54 -2.328 3.818 6.007 420 HB2 LEU 54 1HB LEU 54 -1.905 6.771 5.870 421 HB3 LEU 54 2HB LEU 54 -2.049 5.982 7.439 422 HG LEU 54 HG LEU 54 -0.006 5.210 5.362 423 HD11 LEU 54 1HD1 LEU 54 1.162 6.481 7.610 424 HD12 LEU 54 2HD1 LEU 54 -0.092 7.544 6.973 425 HD13 LEU 54 3HD1 LEU 54 1.204 6.979 5.919 426 HD21 LEU 54 3HD2 LEU 54 0.742 3.676 6.825 427 HD22 LEU 54 1HD2 LEU 54 -0.885 3.789 7.496 428 HD23 LEU 54 2HD2 LEU 54 0.433 4.707 8.224 429 H THR 55 H THR 55 -4.354 6.712 5.529 430 HA THR 55 HA THR 55 -6.018 6.484 7.702 431 HB THR 55 HB THR 55 -7.680 7.744 6.485 432 HG1 THR 55 1HG THR 55 -6.200 7.337 4.097 433 HG21 THR 55 3HG2 THR 55 -5.911 9.337 5.204 434 HG22 THR 55 1HG2 THR 55 -4.819 8.416 6.237 435 HG23 THR 55 2HG2 THR 55 -6.143 9.336 6.952 436 H LEU 56 H LEU 56 -6.321 4.856 4.568 437 HA LEU 56 HA LEU 56 -8.781 3.660 4.842 438 HB2 LEU 56 1HB LEU 56 -6.253 2.622 3.585 439 HB3 LEU 56 2HB LEU 56 -7.802 1.792 3.450 440 HG LEU 56 HG LEU 56 -7.457 4.634 2.541 441 HD11 LEU 56 1HD1 LEU 56 -6.552 4.047 0.560 442 HD12 LEU 56 2HD1 LEU 56 -7.355 2.478 0.532 443 HD13 LEU 56 3HD1 LEU 56 -5.902 2.707 1.504 444 HD21 LEU 56 3HD2 LEU 56 -9.253 2.950 1.049 445 HD22 LEU 56 1HD2 LEU 56 -9.579 4.452 1.914 446 HD23 LEU 56 2HD2 LEU 56 -9.644 2.911 2.769 447 H THR 57 H THR 57 -9.528 1.692 5.657 448 HA THR 57 HA THR 57 -7.740 0.308 7.542 449 HB THR 57 HB THR 57 -9.567 0.082 9.150 450 HG1 THR 57 1HG THR 57 -10.991 1.508 7.162 451 HG21 THR 57 3HG2 THR 57 -9.674 2.399 9.920 452 HG22 THR 57 1HG2 THR 57 -9.124 2.959 8.341 453 HG23 THR 57 2HG2 THR 57 -8.050 2.000 9.360 454 H GLU 58 H GLU 58 -8.597 -1.856 8.190 455 HA GLU 58 HA GLU 58 -8.894 -3.573 6.112 456 HB2 GLU 58 1HB GLU 58 -8.479 -4.475 8.267 457 HB3 GLU 58 2HB GLU 58 -9.954 -3.780 8.925 458 HG2 GLU 58 1HG GLU 58 -11.197 -5.293 7.300 459 HG3 GLU 58 2HG GLU 58 -9.659 -6.124 7.081 460 H GLU 59 H GLU 59 -11.309 -1.477 7.400 461 HA GLU 59 HA GLU 59 -13.536 -2.883 6.216 462 HB2 GLU 59 1HB GLU 59 -14.348 -1.762 8.023 463 HB3 GLU 59 2HB GLU 59 -13.164 -0.470 7.888 464 HG2 GLU 59 1HG GLU 59 -15.324 0.446 7.484 465 HG3 GLU 59 2HG GLU 59 -14.439 0.428 5.960 466 H GLU 60 H GLU 60 -12.116 0.353 5.706 467 HA GLU 60 HA GLU 60 -13.496 1.023 3.406 468 HB2 GLU 60 1HB GLU 60 -10.651 1.744 4.131 469 HB3 GLU 60 2HB GLU 60 -11.624 2.559 2.914 470 HG2 GLU 60 1HG GLU 60 -12.189 2.444 5.867 471 HG3 GLU 60 2HG GLU 60 -11.586 3.833 4.965 472 H PHE 61 H PHE 61 -10.774 -1.114 3.812 473 HA PHE 61 HA PHE 61 -10.000 -1.240 1.083 474 HB2 PHE 61 1HB PHE 61 -9.542 -3.093 3.421 475 HB3 PHE 61 2HB PHE 61 -8.884 -3.403 1.818 476 HD1 PHE 61 1HD PHE 61 -7.751 -1.114 0.808 477 HD2 PHE 61 2HD PHE 61 -8.042 -2.226 4.906 478 HE1 PHE 61 1HE PHE 61 -5.812 0.309 1.328 479 HE2 PHE 61 2HE PHE 61 -6.105 -0.804 5.433 480 HZ PHE 61 HZ PHE 61 -4.988 0.467 3.644 481 H SER 62 H SER 62 -12.377 -2.920 3.019 482 HA SER 62 HA SER 62 -12.938 -4.840 0.909 483 HB2 SER 62 1HB SER 62 -14.691 -4.586 3.310 484 HB3 SER 62 2HB SER 62 -14.137 -6.035 2.470 485 HG SER 62 HG SER 62 -12.882 -6.091 4.194 486 H ARG 63 H ARG 63 -13.532 -1.751 1.034 487 HA ARG 63 HA ARG 63 -16.346 -1.948 0.187 488 HB2 ARG 63 1HB ARG 63 -14.850 0.529 1.060 489 HB3 ARG 63 2HB ARG 63 -16.570 0.405 0.715 490 HG2 ARG 63 1HG ARG 63 -15.450 -1.365 2.816 491 HG3 ARG 63 2HG ARG 63 -15.624 0.353 3.180 492 HD2 ARG 63 1HD ARG 63 -17.900 -1.159 1.967 493 HD3 ARG 63 2HD ARG 63 -17.577 -1.292 3.695 494 HE ARG 63 HE ARG 63 -17.617 1.389 3.236 495 HH11 ARG 63 2HH1 ARG 63 -19.826 -1.225 2.600 496 HH12 ARG 63 1HH1 ARG 63 -21.241 -0.236 2.738 497 HH21 ARG 63 1HH2 ARG 63 -21.039 1.998 3.204 498 HH22 ARG 63 2HH2 ARG 63 -19.472 2.702 3.420 499 H ALA 64 H ALA 64 -17.012 -0.831 -1.694 500 HA ALA 64 HA ALA 64 -15.252 -1.013 -3.875 501 HB1 ALA 64 3HB ALA 64 -17.544 -1.224 -4.344 502 HB2 ALA 64 1HB ALA 64 -17.935 0.295 -3.539 503 HB3 ALA 64 2HB ALA 64 -17.067 0.308 -5.074 504 HA PRO 65 HA PRO 65 -15.319 0.054 -6.009 505 HB2 PRO 65 2HB PRO 65 -14.385 1.612 -7.416 506 HB3 PRO 65 1HB PRO 65 -12.987 0.535 -7.314 507 HG2 PRO 65 1HG PRO 65 -11.925 1.855 -5.727 508 HG3 PRO 65 2HG PRO 65 -12.776 3.107 -6.651 509 HD2 PRO 65 1HD PRO 65 -13.074 2.815 -3.976 510 HD3 PRO 65 2HD PRO 65 -14.385 3.391 -5.026 511 H TYR 66 H TYR 66 -12.422 0.250 -4.019 512 HA TYR 66 HA TYR 66 -10.938 -1.892 -4.707 513 HB2 TYR 66 1HB TYR 66 -11.627 -1.632 -1.807 514 HB3 TYR 66 2HB TYR 66 -10.060 -1.897 -2.563 515 HD1 TYR 66 1HD TYR 66 -9.385 0.164 -4.207 516 HD2 TYR 66 2HD TYR 66 -11.915 0.411 -0.795 517 HE1 TYR 66 1HE TYR 66 -8.883 2.565 -4.016 518 HE2 TYR 66 2HE TYR 66 -11.421 2.812 -0.595 519 HH TYR 66 HH TYR 66 -8.954 4.346 -2.505 520 H THR 67 H THR 67 -13.917 -2.033 -2.785 521 HA THR 67 HA THR 67 -15.067 -3.874 -1.974 522 HB THR 67 HB THR 67 -15.962 -3.371 -4.260 523 HG1 THR 67 1HG THR 67 -17.056 -4.895 -3.030 524 HG21 THR 67 3HG2 THR 67 -13.871 -4.126 -5.450 525 HG22 THR 67 1HG2 THR 67 -15.381 -4.733 -6.128 526 HG23 THR 67 2HG2 THR 67 -14.378 -5.785 -5.130 527 H ILE 68 H ILE 68 -12.236 -4.273 -1.726 528 HA ILE 68 HA ILE 68 -11.163 -6.594 -2.684 529 HB ILE 68 HB ILE 68 -10.950 -5.514 0.127 530 HG12 ILE 68 1HG1 ILE 68 -9.049 -5.267 -2.213 531 HG13 ILE 68 2HG1 ILE 68 -10.208 -4.026 -1.747 532 HG21 ILE 68 1HG2 ILE 68 -9.202 -7.540 -1.262 533 HG22 ILE 68 2HG2 ILE 68 -8.928 -6.856 0.339 534 HG23 ILE 68 3HG2 ILE 68 -10.333 -7.881 0.047 535 HD11 ILE 68 3HD1 ILE 68 -8.575 -4.858 0.487 536 HD12 ILE 68 1HD1 ILE 68 -7.604 -4.276 -0.865 537 HD13 ILE 68 2HD1 ILE 68 -8.858 -3.247 -0.173 538 H GLU 69 H GLU 69 -12.651 -8.233 -3.012 539 HA GLU 69 HA GLU 69 -14.175 -9.275 -0.778 540 HB2 GLU 69 1HB GLU 69 -13.935 -10.385 -3.578 541 HB3 GLU 69 2HB GLU 69 -15.158 -10.794 -2.383 542 HG2 GLU 69 1HG GLU 69 -15.674 -8.232 -2.480 543 HG3 GLU 69 2HG GLU 69 -14.877 -8.344 -4.048 544 H ASN 70 H ASN 70 -11.208 -9.379 -0.788 545 HA ASN 70 HA ASN 70 -10.968 -12.234 -0.190 546 HB2 ASN 70 1HB ASN 70 -10.021 -11.539 -2.526 547 HB3 ASN 70 2HB ASN 70 -8.697 -10.857 -1.585 548 HD21 ASN 70 2HD2 ASN 70 -7.091 -13.876 -1.242 549 HD22 ASN 70 1HD2 ASN 70 -7.051 -12.148 -1.240 550 H SER 71 H SER 71 -10.676 -12.128 1.953 551 HA SER 71 HA SER 71 -9.616 -10.076 3.448 552 HB2 SER 71 1HB SER 71 -9.420 -13.037 4.053 553 HB3 SER 71 2HB SER 71 -9.249 -11.733 5.228 554 HG SER 71 HG SER 71 -11.561 -11.756 3.677 555 H SER 72 H SER 72 -7.878 -12.970 2.306 556 HA SER 72 HA SER 72 -5.406 -12.693 3.260 557 HB2 SER 72 1HB SER 72 -5.984 -13.137 0.321 558 HB3 SER 72 2HB SER 72 -4.506 -13.596 1.166 559 HG SER 72 HG SER 72 -5.711 -15.407 1.180 560 H HIS 73 H HIS 73 -6.564 -10.849 0.442 561 HA HIS 73 HA HIS 73 -4.306 -9.353 -0.077 562 HB2 HIS 73 1HB HIS 73 -6.530 -9.417 -1.353 563 HB3 HIS 73 2HB HIS 73 -7.079 -8.180 -0.226 564 HD1 HIS 73 1HD HIS 73 -6.509 -5.823 -0.800 565 HD2 HIS 73 2HD HIS 73 -4.213 -8.558 -2.924 566 HE1 HIS 73 1HE HIS 73 -5.198 -4.458 -2.456 567 HE2 HIS 73 2HE HIS 73 -3.881 -6.143 -3.787 568 H ARG 74 H ARG 74 -7.012 -8.450 2.062 569 HA ARG 74 HA ARG 74 -5.909 -6.043 2.976 570 HB2 ARG 74 1HB ARG 74 -7.920 -7.940 4.171 571 HB3 ARG 74 2HB ARG 74 -7.450 -6.453 4.983 572 HG2 ARG 74 1HG ARG 74 -8.112 -5.258 2.838 573 HG3 ARG 74 2HG ARG 74 -8.879 -6.776 2.368 574 HD2 ARG 74 1HD ARG 74 -9.467 -5.244 4.898 575 HD3 ARG 74 2HD ARG 74 -10.446 -5.189 3.433 576 HE ARG 74 HE ARG 74 -10.485 -7.210 5.431 577 HH11 ARG 74 2HH1 ARG 74 -10.811 -6.689 2.004 578 HH12 ARG 74 1HH1 ARG 74 -11.821 -8.075 1.757 579 HH21 ARG 74 1HH2 ARG 74 -12.392 -9.409 3.530 580 HH22 ARG 74 2HH2 ARG 74 -11.815 -9.037 5.119 581 H ARG 75 H ARG 75 -5.862 -9.277 4.468 582 HA ARG 75 HA ARG 75 -4.465 -8.727 6.766 583 HB2 ARG 75 1HB ARG 75 -5.417 -10.939 6.160 584 HB3 ARG 75 2HB ARG 75 -4.094 -11.170 5.025 585 HG2 ARG 75 1HG ARG 75 -3.451 -10.583 7.870 586 HG3 ARG 75 2HG ARG 75 -4.013 -12.198 7.433 587 HD2 ARG 75 1HD ARG 75 -2.222 -12.368 5.773 588 HD3 ARG 75 2HD ARG 75 -1.664 -10.753 6.210 589 HE ARG 75 HE ARG 75 -1.757 -12.482 8.470 590 HH11 ARG 75 2HH1 ARG 75 0.117 -11.676 5.649 591 HH12 ARG 75 1HH1 ARG 75 1.616 -12.215 6.331 592 HH21 ARG 75 1HH2 ARG 75 1.668 -13.079 8.452 593 HH22 ARG 75 2HH2 ARG 75 0.210 -13.195 9.378 594 H VAL 76 H VAL 76 -3.185 -9.228 3.513 595 HA VAL 76 HA VAL 76 -0.443 -9.149 4.278 596 HB VAL 76 HB VAL 76 -1.656 -8.588 1.568 597 HG11 VAL 76 1HG1 VAL 76 0.409 -8.187 0.866 598 HG12 VAL 76 2HG1 VAL 76 1.009 -8.377 2.515 599 HG13 VAL 76 3HG1 VAL 76 0.922 -9.773 1.441 600 HG21 VAL 76 3HG2 VAL 76 -2.065 -10.864 2.808 601 HG22 VAL 76 1HG2 VAL 76 -1.628 -10.838 1.099 602 HG23 VAL 76 2HG2 VAL 76 -0.402 -11.189 2.317 603 H ILE 77 H ILE 77 -2.226 -6.805 2.267 604 HA ILE 77 HA ILE 77 -0.484 -4.724 2.307 605 HB ILE 77 HB ILE 77 -3.486 -4.497 2.552 606 HG12 ILE 77 1HG1 ILE 77 -1.715 -4.472 0.099 607 HG13 ILE 77 2HG1 ILE 77 -2.673 -5.849 0.629 608 HG21 ILE 77 1HG2 ILE 77 -1.723 -2.445 1.281 609 HG22 ILE 77 2HG2 ILE 77 -3.351 -2.272 1.935 610 HG23 ILE 77 3HG2 ILE 77 -1.976 -2.440 3.026 611 HD11 ILE 77 3HD1 ILE 77 -4.039 -3.250 0.169 612 HD12 ILE 77 1HD1 ILE 77 -3.548 -4.221 -1.220 613 HD13 ILE 77 2HD1 ILE 77 -4.645 -4.896 -0.015 614 H LEU 78 H LEU 78 -3.151 -5.062 4.657 615 HA LEU 78 HA LEU 78 -2.467 -2.968 6.326 616 HB2 LEU 78 1HB LEU 78 -3.946 -5.518 6.679 617 HB3 LEU 78 2HB LEU 78 -3.494 -4.624 8.129 618 HG LEU 78 HG LEU 78 -4.688 -2.636 7.136 619 HD11 LEU 78 1HD1 LEU 78 -5.390 -4.728 5.116 620 HD12 LEU 78 2HD1 LEU 78 -4.878 -3.060 4.866 621 HD13 LEU 78 3HD1 LEU 78 -6.501 -3.403 5.465 622 HD21 LEU 78 3HD2 LEU 78 -5.631 -4.112 8.895 623 HD22 LEU 78 1HD2 LEU 78 -6.392 -5.075 7.628 624 HD23 LEU 78 2HD2 LEU 78 -6.856 -3.388 7.852 625 H THR 79 H THR 79 -1.837 -6.375 7.161 626 HA THR 79 HA THR 79 -0.175 -6.125 9.256 627 HB THR 79 HB THR 79 0.196 -8.031 6.939 628 HG1 THR 79 1HG THR 79 -1.368 -9.098 7.881 629 HG21 THR 79 3HG2 THR 79 1.135 -9.035 9.459 630 HG22 THR 79 1HG2 THR 79 1.966 -7.530 9.069 631 HG23 THR 79 2HG2 THR 79 2.002 -8.877 7.932 632 H GLU 80 H GLU 80 0.952 -6.041 5.873 633 HA GLU 80 HA GLU 80 3.639 -5.459 6.488 634 HB2 GLU 80 1HB GLU 80 2.027 -4.940 3.986 635 HB3 GLU 80 2HB GLU 80 3.766 -4.706 4.097 636 HG2 GLU 80 1HG GLU 80 2.662 -7.347 4.879 637 HG3 GLU 80 2HG GLU 80 2.712 -6.935 3.165 638 H LEU 81 H LEU 81 0.836 -3.411 5.923 639 HA LEU 81 HA LEU 81 2.163 -0.949 5.695 640 HB2 LEU 81 1HB LEU 81 -0.354 -1.661 5.372 641 HB3 LEU 81 2HB LEU 81 -0.488 -1.114 7.042 642 HG LEU 81 HG LEU 81 0.453 1.095 6.278 643 HD11 LEU 81 1HD1 LEU 81 0.179 1.566 3.843 644 HD12 LEU 81 2HD1 LEU 81 -0.007 -0.168 3.583 645 HD13 LEU 81 3HD1 LEU 81 1.505 0.470 4.229 646 HD21 LEU 81 3HD2 LEU 81 -2.196 -0.017 5.502 647 HD22 LEU 81 1HD2 LEU 81 -1.764 1.602 4.950 648 HD23 LEU 81 2HD2 LEU 81 -1.794 1.238 6.676 649 H GLU 82 H GLU 82 0.834 -2.619 8.533 650 HA GLU 82 HA GLU 82 1.299 -0.683 10.456 651 HB2 GLU 82 1HB GLU 82 0.049 -2.654 11.012 652 HB3 GLU 82 2HB GLU 82 1.422 -3.693 10.656 653 HG2 GLU 82 1HG GLU 82 1.277 -3.580 12.997 654 HG3 GLU 82 2HG GLU 82 2.631 -2.546 12.544 655 H ARG 83 H ARG 83 3.530 -2.983 9.012 656 HA ARG 83 HA ARG 83 5.679 -2.480 10.813 657 HB2 ARG 83 1HB ARG 83 5.849 -3.546 7.991 658 HB3 ARG 83 2HB ARG 83 7.039 -3.743 9.271 659 HG2 ARG 83 1HG ARG 83 5.072 -4.903 10.531 660 HG3 ARG 83 2HG ARG 83 4.407 -5.090 8.907 661 HD2 ARG 83 1HD ARG 83 5.638 -7.061 9.357 662 HD3 ARG 83 2HD ARG 83 6.617 -6.105 8.246 663 HE ARG 83 HE ARG 83 8.208 -5.894 9.880 664 HH11 ARG 83 2HH1 ARG 83 5.240 -7.024 11.306 665 HH12 ARG 83 1HH1 ARG 83 5.951 -7.339 12.855 666 HH21 ARG 83 1HH2 ARG 83 8.179 -6.929 13.199 667 HH22 ARG 83 2HH2 ARG 83 9.156 -6.305 11.914 668 H VAL 84 H VAL 84 5.404 -1.664 7.348 669 HA VAL 84 HA VAL 84 7.513 0.027 7.076 670 HB VAL 84 HB VAL 84 6.142 1.284 5.373 671 HG11 VAL 84 1HG1 VAL 84 6.757 -1.581 5.424 672 HG12 VAL 84 2HG1 VAL 84 5.585 -1.104 4.194 673 HG13 VAL 84 3HG1 VAL 84 7.179 -0.349 4.235 674 HG21 VAL 84 3HG2 VAL 84 4.012 -0.601 6.367 675 HG22 VAL 84 1HG2 VAL 84 3.962 1.162 6.335 676 HG23 VAL 84 2HG2 VAL 84 3.925 0.251 4.825 677 H ARG 85 H ARG 85 4.284 0.920 8.259 678 HA ARG 85 HA ARG 85 4.862 3.660 8.638 679 HB2 ARG 85 1HB ARG 85 2.783 3.798 9.768 680 HB3 ARG 85 2HB ARG 85 2.571 2.583 8.515 681 HG2 ARG 85 1HG ARG 85 2.618 0.820 10.063 682 HG3 ARG 85 2HG ARG 85 3.275 1.850 11.337 683 HD2 ARG 85 1HD ARG 85 0.628 2.521 10.136 684 HD3 ARG 85 2HD ARG 85 0.732 1.206 11.305 685 HE ARG 85 HE ARG 85 1.987 3.633 12.190 686 HH11 ARG 85 2HH1 ARG 85 -1.009 1.874 11.983 687 HH12 ARG 85 1HH1 ARG 85 -1.735 2.693 13.326 688 HH21 ARG 85 1HH2 ARG 85 -0.566 4.313 14.449 689 HH22 ARG 85 2HH2 ARG 85 1.044 4.720 13.960 690 H SER 86 H SER 86 5.216 0.825 10.680 691 HA SER 86 HA SER 86 5.724 2.192 13.104 692 HB2 SER 86 1HB SER 86 5.102 -0.154 13.122 693 HB3 SER 86 2HB SER 86 6.542 -0.578 12.197 694 HG SER 86 HG SER 86 6.912 0.802 14.589 695 H GLY 87 H GLY 87 7.589 2.909 14.036 696 HA2 GLY 87 1HA GLY 87 9.648 3.905 12.506 697 HA3 GLY 87 2HA GLY 87 9.786 3.559 14.224 698 HA PRO 88 HA PRO 88 12.033 0.375 11.331 699 HB2 PRO 88 2HB PRO 88 12.714 1.635 9.534 700 HB3 PRO 88 1HB PRO 88 14.222 1.719 10.452 701 HG2 PRO 88 1HG PRO 88 13.741 3.828 11.294 702 HG3 PRO 88 2HG PRO 88 12.955 3.941 9.708 703 HD2 PRO 88 1HD PRO 88 11.631 4.394 12.026 704 HD3 PRO 88 2HD PRO 88 10.843 3.694 10.598 705 H SER 89 H SER 89 13.810 -0.814 12.052 706 HA SER 89 HA SER 89 15.162 0.270 14.437 707 HB2 SER 89 1HB SER 89 13.483 -1.645 14.769 708 HB3 SER 89 2HB SER 89 14.668 -2.666 13.955 709 HG SER 89 HG SER 89 15.069 -2.790 16.133 710 H SER 90 H SER 90 17.294 -0.734 14.890 711 HA SER 90 HA SER 90 18.849 -0.819 12.442 712 HB2 SER 90 1HB SER 90 19.649 0.552 14.312 713 HB3 SER 90 2HB SER 90 19.728 -0.879 15.340 714 HG SER 90 HG SER 90 21.171 -1.668 13.506 715 H GLY 91 H GLY 91 18.799 -2.814 15.407 716 HA2 GLY 91 1HA GLY 91 18.464 -5.271 14.097 717 HA3 GLY 91 2HA GLY 91 20.189 -4.984 14.278 Start of MODEL 9 1 H1 GLY 1 H GLY 1 7.641 16.079 -12.993 2 HA2 GLY 1 1HA GLY 1 8.290 16.221 -15.845 3 HA3 GLY 1 2HA GLY 1 9.359 16.649 -14.518 4 H SER 2 H SER 2 11.040 15.401 -15.406 5 HA SER 2 HA SER 2 10.691 12.508 -14.991 6 HB2 SER 2 1HB SER 2 12.002 13.923 -17.306 7 HB3 SER 2 2HB SER 2 12.418 12.261 -16.888 8 HG SER 2 HG SER 2 9.833 13.240 -17.538 9 H SER 3 H SER 3 11.662 12.542 -12.981 10 HA SER 3 HA SER 3 14.508 12.464 -12.954 11 HB2 SER 3 1HB SER 3 13.111 14.864 -11.813 12 HB3 SER 3 2HB SER 3 14.605 14.281 -11.080 13 HG SER 3 HG SER 3 15.409 14.364 -13.369 14 H GLY 4 H GLY 4 15.269 11.301 -11.239 15 HA2 GLY 4 1HA GLY 4 13.592 10.891 -8.897 16 HA3 GLY 4 2HA GLY 4 13.848 9.475 -9.906 17 H SER 5 H SER 5 14.656 9.922 -7.143 18 HA SER 5 HA SER 5 17.568 9.623 -7.483 19 HB2 SER 5 1HB SER 5 16.674 11.729 -6.239 20 HB3 SER 5 2HB SER 5 16.352 10.607 -4.916 21 HG SER 5 HG SER 5 18.870 10.508 -6.108 22 H SER 6 H SER 6 14.946 8.918 -5.168 23 HA SER 6 HA SER 6 16.336 6.557 -4.234 24 HB2 SER 6 1HB SER 6 13.676 7.787 -3.488 25 HB3 SER 6 2HB SER 6 14.309 6.314 -2.754 26 HG SER 6 HG SER 6 14.764 8.350 -1.625 27 H GLY 7 H GLY 7 16.342 4.921 -5.672 28 HA2 GLY 7 1HA GLY 7 13.708 3.960 -6.590 29 HA3 GLY 7 2HA GLY 7 15.064 4.059 -7.704 30 H GLU 8 H GLU 8 15.028 2.981 -4.327 31 HA GLU 8 HA GLU 8 15.756 0.285 -5.259 32 HB2 GLU 8 1HB GLU 8 17.099 1.998 -3.192 33 HB3 GLU 8 2HB GLU 8 17.187 0.245 -3.089 34 HG2 GLU 8 1HG GLU 8 18.411 0.064 -5.054 35 HG3 GLU 8 2HG GLU 8 17.942 1.670 -5.607 36 H HIS 9 H HIS 9 15.129 -1.445 -3.920 37 HA HIS 9 HA HIS 9 12.721 -0.929 -2.416 38 HB2 HIS 9 1HB HIS 9 12.505 -3.345 -2.293 39 HB3 HIS 9 2HB HIS 9 12.913 -2.873 -3.940 40 HD1 HIS 9 1HD HIS 9 13.450 -5.732 -2.938 41 HD2 HIS 9 2HD HIS 9 16.251 -2.665 -2.860 42 HE1 HIS 9 1HE HIS 9 15.692 -6.870 -2.898 43 HE2 HIS 9 2HE HIS 9 17.369 -4.995 -2.765 44 H GLY 10 H GLY 10 12.947 -0.151 -0.411 45 HA2 GLY 10 1HA GLY 10 13.626 -1.503 1.796 46 HA3 GLY 10 2HA GLY 10 15.199 -0.949 1.243 47 H LEU 11 H LEU 11 14.742 1.565 0.370 48 HA LEU 11 HA LEU 11 14.760 3.096 2.678 49 HB2 LEU 11 1HB LEU 11 15.012 4.907 1.322 50 HB3 LEU 11 2HB LEU 11 15.418 3.619 0.189 51 HG LEU 11 HG LEU 11 14.045 5.165 -0.971 52 HD11 LEU 11 1HD1 LEU 11 13.311 2.496 -0.590 53 HD12 LEU 11 2HD1 LEU 11 12.877 3.547 -1.938 54 HD13 LEU 11 3HD1 LEU 11 11.805 3.414 -0.543 55 HD21 LEU 11 3HD2 LEU 11 13.019 5.842 1.445 56 HD22 LEU 11 1HD2 LEU 11 11.677 4.932 0.751 57 HD23 LEU 11 2HD2 LEU 11 12.330 6.330 -0.104 58 H LEU 12 H LEU 12 12.088 1.823 0.939 59 HA LEU 12 HA LEU 12 10.007 3.506 1.290 60 HB2 LEU 12 1HB LEU 12 10.218 0.545 1.626 61 HB3 LEU 12 2HB LEU 12 8.687 1.355 1.953 62 HG LEU 12 HG LEU 12 10.134 1.592 -0.677 63 HD11 LEU 12 1HD1 LEU 12 9.697 -0.635 -0.794 64 HD12 LEU 12 2HD1 LEU 12 8.121 -0.021 -1.292 65 HD13 LEU 12 3HD1 LEU 12 8.374 -0.553 0.370 66 HD21 LEU 12 3HD2 LEU 12 8.470 2.942 -1.272 67 HD22 LEU 12 1HD2 LEU 12 7.986 2.977 0.423 68 HD23 LEU 12 2HD2 LEU 12 7.255 1.810 -0.678 69 H VAL 13 H VAL 13 11.027 1.179 3.797 70 HA VAL 13 HA VAL 13 9.341 2.098 5.819 71 HB VAL 13 HB VAL 13 10.842 0.997 7.401 72 HG11 VAL 13 1HG1 VAL 13 10.474 -0.533 4.828 73 HG12 VAL 13 2HG1 VAL 13 10.822 -1.254 6.401 74 HG13 VAL 13 3HG1 VAL 13 9.306 -0.391 6.142 75 HG21 VAL 13 3HG2 VAL 13 13.014 1.501 6.793 76 HG22 VAL 13 1HG2 VAL 13 12.876 -0.181 6.281 77 HG23 VAL 13 2HG2 VAL 13 12.739 1.116 5.094 78 H HIS 14 H HIS 14 12.685 3.023 5.060 79 HA HIS 14 HA HIS 14 13.193 4.733 7.167 80 HB2 HIS 14 1HB HIS 14 14.154 4.558 4.353 81 HB3 HIS 14 2HB HIS 14 14.534 6.021 5.256 82 HD1 HIS 14 1HD HIS 14 15.405 5.142 7.908 83 HD2 HIS 14 2HD HIS 14 16.275 2.910 4.513 84 HE1 HIS 14 1HE HIS 14 17.386 3.722 8.527 85 HE2 HIS 14 2HE HIS 14 17.948 2.443 6.431 86 H LYS 15 H LYS 15 11.637 5.491 4.064 87 HA LYS 15 HA LYS 15 11.055 8.197 4.936 88 HB2 LYS 15 1HB LYS 15 11.667 7.968 2.637 89 HB3 LYS 15 2HB LYS 15 10.490 6.686 2.386 90 HG2 LYS 15 1HG LYS 15 8.782 8.551 3.084 91 HG3 LYS 15 2HG LYS 15 10.085 9.626 2.572 92 HD2 LYS 15 1HD LYS 15 10.153 8.344 0.410 93 HD3 LYS 15 2HD LYS 15 8.681 7.522 0.934 94 HE2 LYS 15 1HE LYS 15 7.967 9.302 -0.438 95 HE3 LYS 15 2HE LYS 15 7.664 9.825 1.217 96 HZ1 LYS 15 3HZ LYS 15 10.095 10.794 0.878 97 HZ2 LYS 15 1HZ LYS 15 8.705 11.665 0.465 98 HZ3 LYS 15 2HZ LYS 15 9.574 10.843 -0.731 99 H ALA 16 H ALA 16 9.212 8.848 5.841 100 HA ALA 16 HA ALA 16 7.301 7.172 6.881 101 HB1 ALA 16 3HB ALA 16 5.960 9.105 7.300 102 HB2 ALA 16 1HB ALA 16 7.652 9.572 7.472 103 HB3 ALA 16 2HB ALA 16 6.760 10.006 6.013 104 H VAL 17 H VAL 17 5.466 6.219 6.191 105 HA VAL 17 HA VAL 17 5.011 5.907 3.412 106 HB VAL 17 HB VAL 17 3.329 5.131 5.794 107 HG11 VAL 17 1HG1 VAL 17 1.967 5.479 3.738 108 HG12 VAL 17 2HG1 VAL 17 2.950 4.253 2.935 109 HG13 VAL 17 3HG1 VAL 17 1.960 3.818 4.330 110 HG21 VAL 17 3HG2 VAL 17 4.474 3.198 5.842 111 HG22 VAL 17 1HG2 VAL 17 4.536 3.078 4.084 112 HG23 VAL 17 2HG2 VAL 17 5.698 4.091 4.940 113 H ASP 18 H ASP 18 3.705 8.043 5.829 114 HA ASP 18 HA ASP 18 1.377 8.830 4.401 115 HB2 ASP 18 1HB ASP 18 1.077 10.466 6.068 116 HB3 ASP 18 2HB ASP 18 1.877 9.134 6.899 117 H LYS 19 H LYS 19 4.526 9.223 3.607 118 HA LYS 19 HA LYS 19 4.036 11.796 2.257 119 HB2 LYS 19 1HB LYS 19 6.453 10.634 3.544 120 HB3 LYS 19 2HB LYS 19 6.698 11.600 2.095 121 HG2 LYS 19 1HG LYS 19 6.942 13.039 3.964 122 HG3 LYS 19 2HG LYS 19 5.402 13.432 3.196 123 HD2 LYS 19 1HD LYS 19 4.161 12.422 4.896 124 HD3 LYS 19 2HD LYS 19 5.542 11.485 5.473 125 HE2 LYS 19 1HE LYS 19 5.441 14.489 5.607 126 HE3 LYS 19 2HE LYS 19 4.827 13.459 6.899 127 HZ1 LYS 19 3HZ LYS 19 7.094 12.413 6.924 128 HZ2 LYS 19 1HZ LYS 19 7.029 14.014 7.467 129 HZ3 LYS 19 2HZ LYS 19 7.614 13.670 5.918 130 H TRP 20 H TRP 20 4.118 8.559 1.733 131 HA TRP 20 HA TRP 20 5.663 8.284 -0.602 132 HB2 TRP 20 1HB TRP 20 3.256 6.746 0.384 133 HB3 TRP 20 2HB TRP 20 4.200 6.276 -1.027 134 HD1 TRP 20 HD TRP 20 6.502 7.612 1.512 135 HE1 TRP 20 1HE TRP 20 7.660 5.702 2.791 136 HE3 TRP 20 3HE TRP 20 3.546 3.721 0.011 137 HZ2 TRP 20 2HZ TRP 20 7.360 2.914 3.120 138 HZ3 TRP 20 3HZ TRP 20 4.049 1.464 0.853 139 HH2 TRP 20 HH TRP 20 5.918 1.071 2.374 140 H THR 21 H THR 21 4.745 7.797 -2.788 141 HA THR 21 HA THR 21 2.545 9.659 -3.414 142 HB THR 21 HB THR 21 3.651 9.848 -5.696 143 HG1 THR 21 1HG THR 21 5.107 8.147 -5.601 144 HG21 THR 21 3HG2 THR 21 5.358 10.897 -3.448 145 HG22 THR 21 1HG2 THR 21 3.761 11.549 -3.814 146 HG23 THR 21 2HG2 THR 21 5.047 11.637 -5.018 147 H THR 22 H THR 22 1.206 9.112 -5.229 148 HA THR 22 HA THR 22 0.026 6.708 -5.261 149 HB THR 22 HB THR 22 0.535 8.135 -7.870 150 HG1 THR 22 1HG THR 22 -0.467 9.794 -7.042 151 HG21 THR 22 3HG2 THR 22 -1.399 7.145 -8.634 152 HG22 THR 22 1HG2 THR 22 -2.068 6.950 -7.014 153 HG23 THR 22 2HG2 THR 22 -0.783 5.879 -7.572 154 H GLU 23 H GLU 23 3.096 7.451 -6.745 155 HA GLU 23 HA GLU 23 3.272 5.022 -8.255 156 HB2 GLU 23 1HB GLU 23 4.537 7.335 -8.518 157 HB3 GLU 23 2HB GLU 23 5.706 6.555 -7.462 158 HG2 GLU 23 1HG GLU 23 5.980 4.747 -9.042 159 HG3 GLU 23 2HG GLU 23 4.736 5.438 -10.083 160 H GLU 24 H GLU 24 5.029 6.204 -5.381 161 HA GLU 24 HA GLU 24 6.339 3.810 -4.794 162 HB2 GLU 24 1HB GLU 24 5.459 6.019 -2.928 163 HB3 GLU 24 2HB GLU 24 6.582 4.737 -2.497 164 HG2 GLU 24 1HG GLU 24 7.894 5.596 -4.589 165 HG3 GLU 24 2HG GLU 24 6.968 7.069 -4.305 166 H VAL 25 H VAL 25 3.172 5.003 -3.791 167 HA VAL 25 HA VAL 25 2.505 3.151 -1.857 168 HB VAL 25 HB VAL 25 0.775 4.497 -3.924 169 HG11 VAL 25 1HG1 VAL 25 0.100 2.385 -1.989 170 HG12 VAL 25 2HG1 VAL 25 -0.975 3.785 -1.994 171 HG13 VAL 25 3HG1 VAL 25 -0.714 2.866 -3.477 172 HG21 VAL 25 3HG2 VAL 25 1.948 5.313 -1.467 173 HG22 VAL 25 1HG2 VAL 25 0.890 6.229 -2.540 174 HG23 VAL 25 2HG2 VAL 25 0.199 5.246 -1.249 175 H VAL 26 H VAL 26 1.962 2.893 -5.368 176 HA VAL 26 HA VAL 26 0.900 0.259 -5.244 177 HB VAL 26 HB VAL 26 2.089 1.776 -7.571 178 HG11 VAL 26 1HG1 VAL 26 0.892 0.125 -8.975 179 HG12 VAL 26 2HG1 VAL 26 2.198 -0.590 -8.029 180 HG13 VAL 26 3HG1 VAL 26 0.522 -0.801 -7.521 181 HG21 VAL 26 3HG2 VAL 26 -0.796 1.246 -7.456 182 HG22 VAL 26 1HG2 VAL 26 -0.193 2.335 -6.208 183 HG23 VAL 26 2HG2 VAL 26 0.072 2.712 -7.910 184 H LEU 27 H LEU 27 4.124 1.578 -5.671 185 HA LEU 27 HA LEU 27 5.429 -0.728 -6.578 186 HB2 LEU 27 1HB LEU 27 6.243 1.779 -5.222 187 HB3 LEU 27 2HB LEU 27 7.389 0.440 -5.199 188 HG LEU 27 HG LEU 27 6.255 1.791 -7.647 189 HD11 LEU 27 1HD1 LEU 27 7.891 3.247 -7.190 190 HD12 LEU 27 2HD1 LEU 27 8.972 1.974 -7.757 191 HD13 LEU 27 3HD1 LEU 27 8.664 2.164 -6.031 192 HD21 LEU 27 3HD2 LEU 27 6.537 -0.450 -8.270 193 HD22 LEU 27 1HD2 LEU 27 8.004 -0.625 -7.307 194 HD23 LEU 27 2HD2 LEU 27 8.027 0.344 -8.780 195 H TRP 28 H TRP 28 5.063 0.518 -3.261 196 HA TRP 28 HA TRP 28 6.400 -1.525 -1.931 197 HB2 TRP 28 1HB TRP 28 5.885 0.327 -0.608 198 HB3 TRP 28 2HB TRP 28 4.204 0.358 -1.134 199 HD1 TRP 28 HD TRP 28 6.544 -1.540 1.257 200 HE1 TRP 28 1HE TRP 28 5.106 -2.681 3.061 201 HE3 TRP 28 3HE TRP 28 1.906 -0.502 -0.626 202 HZ2 TRP 28 2HZ TRP 28 2.368 -3.088 3.613 203 HZ3 TRP 28 3HZ TRP 28 -0.071 -1.303 0.600 204 HH2 TRP 28 HH TRP 28 0.157 -2.570 2.675 205 H LEU 29 H LEU 29 3.033 -1.328 -2.980 206 HA LEU 29 HA LEU 29 2.249 -3.782 -1.750 207 HB2 LEU 29 1HB LEU 29 0.543 -2.204 -2.159 208 HB3 LEU 29 2HB LEU 29 1.013 -2.022 -3.847 209 HG LEU 29 HG LEU 29 0.306 -4.539 -4.004 210 HD11 LEU 29 1HD1 LEU 29 -0.973 -3.598 -1.465 211 HD12 LEU 29 2HD1 LEU 29 -0.150 -5.121 -1.801 212 HD13 LEU 29 3HD1 LEU 29 -1.748 -4.814 -2.480 213 HD21 LEU 29 3HD2 LEU 29 -1.708 -3.854 -4.914 214 HD22 LEU 29 1HD2 LEU 29 -0.745 -2.377 -4.977 215 HD23 LEU 29 2HD2 LEU 29 -1.946 -2.593 -3.703 216 H GLU 30 H GLU 30 3.757 -2.919 -4.739 217 HA GLU 30 HA GLU 30 3.116 -5.366 -6.105 218 HB2 GLU 30 1HB GLU 30 4.800 -2.972 -6.675 219 HB3 GLU 30 2HB GLU 30 5.138 -4.451 -7.564 220 HG2 GLU 30 1HG GLU 30 2.644 -4.471 -8.120 221 HG3 GLU 30 2HG GLU 30 2.640 -2.799 -7.562 222 H GLN 31 H GLN 31 4.822 -5.008 -3.457 223 HA GLN 31 HA GLN 31 6.983 -6.834 -4.274 224 HB2 GLN 31 1HB GLN 31 6.811 -4.791 -2.073 225 HB3 GLN 31 2HB GLN 31 7.991 -6.094 -2.019 226 HG2 GLN 31 1HG GLN 31 9.045 -5.331 -4.007 227 HG3 GLN 31 2HG GLN 31 7.752 -4.174 -4.317 228 HE21 GLN 31 2HE2 GLN 31 8.997 -1.708 -2.193 229 HE22 GLN 31 1HE2 GLN 31 7.664 -2.273 -3.136 230 H LEU 32 H LEU 32 4.210 -6.417 -2.262 231 HA LEU 32 HA LEU 32 4.739 -8.475 -0.385 232 HB2 LEU 32 1HB LEU 32 1.971 -7.721 -1.224 233 HB3 LEU 32 2HB LEU 32 2.570 -8.164 0.373 234 HG LEU 32 HG LEU 32 2.922 -5.536 -1.057 235 HD11 LEU 32 1HD1 LEU 32 1.884 -5.676 1.685 236 HD12 LEU 32 2HD1 LEU 32 0.847 -6.397 0.455 237 HD13 LEU 32 3HD1 LEU 32 1.345 -4.712 0.310 238 HD21 LEU 32 3HD2 LEU 32 4.666 -5.012 0.225 239 HD22 LEU 32 1HD2 LEU 32 4.785 -6.728 0.612 240 HD23 LEU 32 2HD2 LEU 32 3.884 -5.646 1.674 241 H GLY 33 H GLY 33 3.482 -8.446 -3.629 242 HA2 GLY 33 1HA GLY 33 3.874 -11.183 -4.043 243 HA3 GLY 33 2HA GLY 33 2.183 -10.950 -3.623 244 HA PRO 34 HA PRO 34 3.122 -10.088 -8.217 245 HB2 PRO 34 2HB PRO 34 3.845 -12.189 -8.804 246 HB3 PRO 34 1HB PRO 34 2.153 -12.395 -9.270 247 HG2 PRO 34 1HG PRO 34 1.617 -13.516 -7.309 248 HG3 PRO 34 2HG PRO 34 3.296 -14.049 -7.521 249 HD2 PRO 34 1HD PRO 34 2.426 -12.839 -5.260 250 HD3 PRO 34 2HD PRO 34 4.082 -12.646 -5.870 251 H TRP 35 H TRP 35 0.495 -11.234 -6.284 252 HA TRP 35 HA TRP 35 -1.573 -10.818 -8.213 253 HB2 TRP 35 1HB TRP 35 -3.062 -10.912 -6.142 254 HB3 TRP 35 2HB TRP 35 -2.083 -12.339 -6.474 255 HD1 TRP 35 HD TRP 35 -0.716 -13.223 -4.495 256 HE1 TRP 35 1HE TRP 35 0.010 -12.303 -2.204 257 HE3 TRP 35 3HE TRP 35 -2.409 -8.424 -4.974 258 HZ2 TRP 35 2HZ TRP 35 -0.119 -9.865 -0.787 259 HZ3 TRP 35 3HZ TRP 35 -2.069 -6.861 -3.105 260 HH2 TRP 35 HH TRP 35 -0.947 -7.569 -1.055 261 H ALA 36 H ALA 36 0.323 -8.733 -6.358 262 HA ALA 36 HA ALA 36 -1.427 -6.683 -5.658 263 HB1 ALA 36 3HB ALA 36 0.778 -6.605 -4.812 264 HB2 ALA 36 1HB ALA 36 1.479 -6.630 -6.431 265 HB3 ALA 36 2HB ALA 36 0.609 -5.202 -5.868 266 H SER 37 H SER 37 0.193 -7.348 -8.724 267 HA SER 37 HA SER 37 -0.489 -4.960 -10.038 268 HB2 SER 37 1HB SER 37 1.203 -6.646 -10.825 269 HB3 SER 37 2HB SER 37 -0.138 -7.675 -11.328 270 HG SER 37 HG SER 37 -0.825 -5.764 -12.591 271 H LEU 38 H LEU 38 -2.460 -7.435 -8.937 272 HA LEU 38 HA LEU 38 -4.466 -7.217 -11.016 273 HB2 LEU 38 1HB LEU 38 -4.580 -8.623 -8.353 274 HB3 LEU 38 2HB LEU 38 -5.745 -8.788 -9.665 275 HG LEU 38 HG LEU 38 -2.851 -9.619 -9.846 276 HD11 LEU 38 1HD1 LEU 38 -3.859 -11.034 -8.229 277 HD12 LEU 38 2HD1 LEU 38 -3.820 -11.933 -9.745 278 HD13 LEU 38 3HD1 LEU 38 -5.326 -11.201 -9.193 279 HD21 LEU 38 3HD2 LEU 38 -4.086 -11.018 -11.738 280 HD22 LEU 38 1HD2 LEU 38 -3.445 -9.401 -12.030 281 HD23 LEU 38 2HD2 LEU 38 -5.164 -9.621 -11.703 282 H TYR 39 H TYR 39 -3.623 -5.537 -8.210 283 HA TYR 39 HA TYR 39 -6.304 -4.321 -8.079 284 HB2 TYR 39 1HB TYR 39 -4.331 -4.439 -5.797 285 HB3 TYR 39 2HB TYR 39 -6.016 -3.935 -5.733 286 HD1 TYR 39 1HD TYR 39 -3.816 -6.870 -6.300 287 HD2 TYR 39 2HD TYR 39 -7.725 -5.500 -5.328 288 HE1 TYR 39 1HE TYR 39 -4.475 -9.171 -5.732 289 HE2 TYR 39 2HE TYR 39 -8.395 -7.797 -4.757 290 HH TYR 39 HH TYR 39 -7.286 -10.310 -5.645 291 H ARG 40 H ARG 40 -2.869 -3.842 -8.264 292 HA ARG 40 HA ARG 40 -2.398 -1.281 -7.579 293 HB2 ARG 40 1HB ARG 40 -0.626 -1.235 -9.111 294 HB3 ARG 40 2HB ARG 40 -0.859 -2.947 -8.785 295 HG2 ARG 40 1HG ARG 40 -2.189 -3.115 -10.867 296 HG3 ARG 40 2HG ARG 40 -1.801 -1.427 -11.205 297 HD2 ARG 40 1HD ARG 40 0.438 -3.292 -10.622 298 HD3 ARG 40 2HD ARG 40 -0.362 -3.422 -12.188 299 HE ARG 40 HE ARG 40 0.393 -0.737 -11.505 300 HH11 ARG 40 2HH1 ARG 40 1.462 -3.736 -12.913 301 HH12 ARG 40 1HH1 ARG 40 2.702 -2.996 -13.870 302 HH21 ARG 40 1HH2 ARG 40 3.020 -0.729 -13.782 303 HH22 ARG 40 2HH2 ARG 40 2.022 0.249 -12.761 304 H ASP 41 H ASP 41 -4.296 -2.346 -10.324 305 HA ASP 41 HA ASP 41 -4.480 0.029 -11.761 306 HB2 ASP 41 1HB ASP 41 -6.834 -1.815 -11.445 307 HB3 ASP 41 2HB ASP 41 -6.316 -0.921 -12.872 308 H ARG 42 H ARG 42 -6.466 -1.130 -9.058 309 HA ARG 42 HA ARG 42 -8.232 1.080 -9.030 310 HB2 ARG 42 1HB ARG 42 -7.536 -0.584 -6.618 311 HB3 ARG 42 2HB ARG 42 -9.058 0.215 -6.989 312 HG2 ARG 42 1HG ARG 42 -9.382 -1.353 -8.869 313 HG3 ARG 42 2HG ARG 42 -7.904 -2.188 -8.387 314 HD2 ARG 42 1HD ARG 42 -10.240 -1.780 -6.534 315 HD3 ARG 42 2HD ARG 42 -10.075 -3.197 -7.571 316 HE ARG 42 HE ARG 42 -8.395 -3.981 -6.199 317 HH11 ARG 42 2HH1 ARG 42 -9.216 -0.710 -5.336 318 HH12 ARG 42 1HH1 ARG 42 -8.313 -0.735 -3.858 319 HH21 ARG 42 1HH2 ARG 42 -7.167 -2.621 -3.244 320 HH22 ARG 42 2HH2 ARG 42 -7.202 -4.026 -4.255 321 H PHE 43 H PHE 43 -5.080 0.516 -7.657 322 HA PHE 43 HA PHE 43 -5.135 2.663 -5.786 323 HB2 PHE 43 1HB PHE 43 -2.898 1.053 -7.010 324 HB3 PHE 43 2HB PHE 43 -2.599 2.359 -5.867 325 HD1 PHE 43 2HD PHE 43 -4.621 -0.753 -6.213 326 HD2 PHE 43 1HD PHE 43 -2.490 1.868 -3.623 327 HE1 PHE 43 2HE PHE 43 -4.980 -2.312 -4.345 328 HE2 PHE 43 1HE PHE 43 -2.845 0.312 -1.751 329 HZ PHE 43 HZ PHE 43 -4.093 -1.781 -2.110 330 H LEU 44 H LEU 44 -3.627 2.298 -8.992 331 HA LEU 44 HA LEU 44 -2.649 4.929 -9.167 332 HB2 LEU 44 1HB LEU 44 -3.318 2.849 -11.224 333 HB3 LEU 44 2HB LEU 44 -2.711 4.440 -11.679 334 HG LEU 44 HG LEU 44 -0.836 3.040 -11.714 335 HD11 LEU 44 1HD1 LEU 44 -0.731 4.221 -8.950 336 HD12 LEU 44 2HD1 LEU 44 -0.597 5.186 -10.420 337 HD13 LEU 44 3HD1 LEU 44 0.605 3.945 -10.068 338 HD21 LEU 44 3HD2 LEU 44 -0.240 1.534 -9.854 339 HD22 LEU 44 1HD2 LEU 44 -1.775 1.107 -10.609 340 HD23 LEU 44 2HD2 LEU 44 -1.760 1.947 -9.059 341 H SER 45 H SER 45 -5.537 3.481 -10.682 342 HA SER 45 HA SER 45 -6.582 5.731 -11.872 343 HB2 SER 45 1HB SER 45 -7.421 3.230 -11.790 344 HB3 SER 45 2HB SER 45 -8.460 3.843 -10.504 345 HG SER 45 HG SER 45 -9.539 5.033 -11.915 346 H GLU 46 H GLU 46 -7.171 4.582 -8.558 347 HA GLU 46 HA GLU 46 -8.713 6.931 -7.901 348 HB2 GLU 46 1HB GLU 46 -7.741 4.593 -6.259 349 HB3 GLU 46 2HB GLU 46 -8.664 5.926 -5.580 350 HG2 GLU 46 1HG GLU 46 -9.603 4.117 -7.794 351 HG3 GLU 46 2HG GLU 46 -10.055 3.974 -6.096 352 H ARG 47 H ARG 47 -5.701 6.893 -8.610 353 HA ARG 47 HA ARG 47 -3.718 7.759 -7.795 354 HB2 ARG 47 1HB ARG 47 -5.720 9.935 -7.161 355 HB3 ARG 47 2HB ARG 47 -3.980 10.165 -7.266 356 HG2 ARG 47 1HG ARG 47 -5.536 9.060 -9.573 357 HG3 ARG 47 2HG ARG 47 -5.421 10.798 -9.287 358 HD2 ARG 47 1HD ARG 47 -2.945 9.125 -9.338 359 HD3 ARG 47 2HD ARG 47 -3.705 9.614 -10.852 360 HE ARG 47 HE ARG 47 -2.227 11.279 -9.041 361 HH11 ARG 47 2HH1 ARG 47 -4.689 11.222 -11.501 362 HH12 ARG 47 1HH1 ARG 47 -4.455 12.877 -11.958 363 HH21 ARG 47 1HH2 ARG 47 -2.871 14.147 -10.896 364 HH22 ARG 47 2HH2 ARG 47 -1.908 13.458 -9.634 365 H VAL 48 H VAL 48 -4.681 5.999 -5.898 366 HA VAL 48 HA VAL 48 -4.938 7.142 -3.314 367 HB VAL 48 HB VAL 48 -4.055 4.348 -4.053 368 HG11 VAL 48 1HG1 VAL 48 -5.386 4.201 -1.665 369 HG12 VAL 48 2HG1 VAL 48 -3.632 4.209 -1.859 370 HG13 VAL 48 3HG1 VAL 48 -4.489 5.710 -1.506 371 HG21 VAL 48 3HG2 VAL 48 -6.821 5.287 -3.316 372 HG22 VAL 48 1HG2 VAL 48 -6.269 5.081 -4.979 373 HG23 VAL 48 2HG2 VAL 48 -6.340 3.692 -3.894 374 H ASN 49 H ASN 49 -3.360 8.388 -2.513 375 HA ASN 49 HA ASN 49 -0.567 7.660 -2.938 376 HB2 ASN 49 1HB ASN 49 -0.027 9.852 -2.082 377 HB3 ASN 49 2HB ASN 49 -1.330 10.018 -3.256 378 HD21 ASN 49 2HD2 ASN 49 -1.796 11.668 0.239 379 HD22 ASN 49 1HD2 ASN 49 -0.309 11.314 -0.568 380 H GLY 50 H GLY 50 0.905 8.047 -0.969 381 HA2 GLY 50 1HA GLY 50 0.481 6.093 0.928 382 HA3 GLY 50 2HA GLY 50 1.557 7.463 1.157 383 H ARG 51 H ARG 51 0.154 9.594 1.545 384 HA ARG 51 HA ARG 51 -0.798 9.546 4.091 385 HB2 ARG 51 1HB ARG 51 -0.419 11.525 2.403 386 HB3 ARG 51 2HB ARG 51 -2.149 11.362 2.136 387 HG2 ARG 51 1HG ARG 51 -0.984 11.683 4.882 388 HG3 ARG 51 2HG ARG 51 -1.393 13.063 3.860 389 HD2 ARG 51 1HD ARG 51 -3.688 11.784 3.645 390 HD3 ARG 51 2HD ARG 51 -3.172 11.067 5.171 391 HE ARG 51 HE ARG 51 -2.830 13.747 5.535 392 HH11 ARG 51 2HH1 ARG 51 -5.499 11.721 4.590 393 HH12 ARG 51 1HH1 ARG 51 -6.702 12.764 5.272 394 HH21 ARG 51 1HH2 ARG 51 -6.079 14.702 6.322 395 HH22 ARG 51 2HH2 ARG 51 -4.405 15.128 6.437 396 H LEU 52 H LEU 52 -2.578 8.797 1.158 397 HA LEU 52 HA LEU 52 -5.111 8.585 2.521 398 HB2 LEU 52 1HB LEU 52 -5.137 9.295 0.241 399 HB3 LEU 52 2HB LEU 52 -4.214 7.882 -0.266 400 HG LEU 52 HG LEU 52 -6.133 6.448 0.234 401 HD11 LEU 52 1HD1 LEU 52 -7.713 8.955 0.740 402 HD12 LEU 52 2HD1 LEU 52 -7.027 7.976 2.036 403 HD13 LEU 52 3HD1 LEU 52 -8.224 7.279 0.944 404 HD21 LEU 52 3HD2 LEU 52 -5.897 8.303 -1.862 405 HD22 LEU 52 1HD2 LEU 52 -7.600 8.284 -1.405 406 HD23 LEU 52 2HD2 LEU 52 -6.792 6.783 -1.858 407 H LEU 53 H LEU 53 -2.557 6.431 1.467 408 HA LEU 53 HA LEU 53 -3.940 3.995 1.752 409 HB2 LEU 53 1HB LEU 53 -1.795 4.256 0.566 410 HB3 LEU 53 2HB LEU 53 -0.996 4.537 2.112 411 HG LEU 53 HG LEU 53 -1.567 2.248 2.806 412 HD11 LEU 53 1HD1 LEU 53 -3.389 1.427 1.768 413 HD12 LEU 53 2HD1 LEU 53 -2.203 0.838 0.604 414 HD13 LEU 53 3HD1 LEU 53 -3.086 2.330 0.283 415 HD21 LEU 53 3HD2 LEU 53 -0.201 2.199 0.126 416 HD22 LEU 53 1HD2 LEU 53 0.086 1.154 1.518 417 HD23 LEU 53 2HD2 LEU 53 0.557 2.853 1.578 418 H LEU 54 H LEU 54 -1.874 5.798 4.010 419 HA LEU 54 HA LEU 54 -1.953 3.991 6.134 420 HB2 LEU 54 1HB LEU 54 -1.584 6.958 5.969 421 HB3 LEU 54 2HB LEU 54 -1.644 6.146 7.532 422 HG LEU 54 HG LEU 54 0.351 5.544 5.350 423 HD11 LEU 54 1HD1 LEU 54 0.386 7.829 6.648 424 HD12 LEU 54 2HD1 LEU 54 1.870 6.921 6.364 425 HD13 LEU 54 3HD1 LEU 54 1.071 6.834 7.934 426 HD21 LEU 54 3HD2 LEU 54 0.628 3.658 6.506 427 HD22 LEU 54 1HD2 LEU 54 -0.381 4.228 7.836 428 HD23 LEU 54 2HD2 LEU 54 1.328 4.663 7.775 429 H THR 55 H THR 55 -4.070 6.762 5.441 430 HA THR 55 HA THR 55 -5.715 6.605 7.672 431 HB THR 55 HB THR 55 -7.376 7.831 6.422 432 HG1 THR 55 1HG THR 55 -5.874 7.377 4.054 433 HG21 THR 55 3HG2 THR 55 -5.638 9.433 5.140 434 HG22 THR 55 1HG2 THR 55 -4.513 8.519 6.144 435 HG23 THR 55 2HG2 THR 55 -5.829 9.423 6.893 436 H LEU 56 H LEU 56 -6.056 4.983 4.530 437 HA LEU 56 HA LEU 56 -8.488 3.747 4.868 438 HB2 LEU 56 1HB LEU 56 -5.990 2.743 3.523 439 HB3 LEU 56 2HB LEU 56 -7.545 1.920 3.413 440 HG LEU 56 HG LEU 56 -7.144 4.765 2.518 441 HD11 LEU 56 1HD1 LEU 56 -7.385 3.070 0.292 442 HD12 LEU 56 2HD1 LEU 56 -6.128 2.375 1.315 443 HD13 LEU 56 3HD1 LEU 56 -5.994 4.046 0.766 444 HD21 LEU 56 3HD2 LEU 56 -9.447 3.996 2.986 445 HD22 LEU 56 1HD2 LEU 56 -9.229 2.708 1.801 446 HD23 LEU 56 2HD2 LEU 56 -9.185 4.395 1.287 447 H THR 57 H THR 57 -9.183 1.764 5.687 448 HA THR 57 HA THR 57 -7.316 0.385 7.498 449 HB THR 57 HB THR 57 -9.204 0.054 9.094 450 HG1 THR 57 1HG THR 57 -10.835 0.603 7.422 451 HG21 THR 57 3HG2 THR 57 -7.746 1.704 9.816 452 HG22 THR 57 1HG2 THR 57 -9.283 2.567 9.779 453 HG23 THR 57 2HG2 THR 57 -8.124 2.773 8.466 454 H GLU 58 H GLU 58 -8.242 -1.782 8.213 455 HA GLU 58 HA GLU 58 -8.506 -3.506 6.120 456 HB2 GLU 58 1HB GLU 58 -8.083 -4.397 8.280 457 HB3 GLU 58 2HB GLU 58 -9.569 -3.719 8.931 458 HG2 GLU 58 1HG GLU 58 -10.899 -5.273 7.694 459 HG3 GLU 58 2HG GLU 58 -9.484 -5.864 6.825 460 H GLU 59 H GLU 59 -10.903 -1.381 7.358 461 HA GLU 59 HA GLU 59 -13.120 -2.808 6.145 462 HB2 GLU 59 1HB GLU 59 -13.984 -1.791 7.984 463 HB3 GLU 59 2HB GLU 59 -12.801 -0.491 7.950 464 HG2 GLU 59 1HG GLU 59 -14.062 0.814 6.561 465 HG3 GLU 59 2HG GLU 59 -14.890 -0.564 5.838 466 H GLU 60 H GLU 60 -11.884 0.528 5.840 467 HA GLU 60 HA GLU 60 -13.202 1.359 3.625 468 HB2 GLU 60 1HB GLU 60 -10.248 1.850 3.997 469 HB3 GLU 60 2HB GLU 60 -11.413 2.892 3.193 470 HG2 GLU 60 1HG GLU 60 -11.091 2.358 6.122 471 HG3 GLU 60 2HG GLU 60 -11.018 3.896 5.264 472 H PHE 61 H PHE 61 -10.332 -0.706 3.675 473 HA PHE 61 HA PHE 61 -9.879 -0.812 0.914 474 HB2 PHE 61 1HB PHE 61 -9.281 -2.793 3.113 475 HB3 PHE 61 2HB PHE 61 -8.748 -3.019 1.450 476 HD1 PHE 61 1HD PHE 61 -7.531 -0.853 0.446 477 HD2 PHE 61 2HD PHE 61 -7.779 -1.873 4.571 478 HE1 PHE 61 1HE PHE 61 -5.533 0.510 0.900 479 HE2 PHE 61 2HE PHE 61 -5.783 -0.511 5.031 480 HZ PHE 61 HZ PHE 61 -4.657 0.683 3.195 481 H SER 62 H SER 62 -11.980 -2.726 3.002 482 HA SER 62 HA SER 62 -12.787 -4.493 0.875 483 HB2 SER 62 1HB SER 62 -13.926 -5.685 2.487 484 HB3 SER 62 2HB SER 62 -12.734 -4.873 3.501 485 HG SER 62 HG SER 62 -14.279 -3.367 4.073 486 H ARG 63 H ARG 63 -13.302 -1.400 1.065 487 HA ARG 63 HA ARG 63 -16.154 -1.540 0.338 488 HB2 ARG 63 1HB ARG 63 -14.607 0.851 1.355 489 HB3 ARG 63 2HB ARG 63 -16.322 0.816 0.968 490 HG2 ARG 63 1HG ARG 63 -15.199 -1.045 3.019 491 HG3 ARG 63 2HG ARG 63 -15.575 0.630 3.431 492 HD2 ARG 63 1HD ARG 63 -17.634 -0.960 1.991 493 HD3 ARG 63 2HD ARG 63 -17.355 -1.314 3.696 494 HE ARG 63 HE ARG 63 -17.738 1.482 3.099 495 HH11 ARG 63 2HH1 ARG 63 -19.264 -1.532 3.943 496 HH12 ARG 63 1HH1 ARG 63 -20.671 -0.780 4.619 497 HH21 ARG 63 1HH2 ARG 63 -20.853 1.504 4.642 498 HH22 ARG 63 2HH2 ARG 63 -19.586 2.483 3.986 499 H ALA 64 H ALA 64 -16.865 -0.423 -1.495 500 HA ALA 64 HA ALA 64 -15.168 -0.450 -3.713 501 HB1 ALA 64 3HB ALA 64 -17.464 -0.639 -4.144 502 HB2 ALA 64 1HB ALA 64 -17.845 0.823 -3.234 503 HB3 ALA 64 2HB ALA 64 -17.017 0.941 -4.787 504 HA PRO 65 HA PRO 65 -15.307 0.731 -5.790 505 HB2 PRO 65 2HB PRO 65 -14.419 2.363 -7.141 506 HB3 PRO 65 1HB PRO 65 -13.019 1.284 -7.143 507 HG2 PRO 65 1HG PRO 65 -11.905 2.520 -5.523 508 HG3 PRO 65 2HG PRO 65 -12.785 3.817 -6.351 509 HD2 PRO 65 1HD PRO 65 -12.996 3.384 -3.687 510 HD3 PRO 65 2HD PRO 65 -14.340 4.012 -4.661 511 H TYR 66 H TYR 66 -12.379 0.811 -3.849 512 HA TYR 66 HA TYR 66 -10.919 -1.298 -4.719 513 HB2 TYR 66 1HB TYR 66 -11.465 -1.174 -1.784 514 HB3 TYR 66 2HB TYR 66 -9.935 -1.379 -2.629 515 HD1 TYR 66 1HD TYR 66 -9.629 0.843 -4.345 516 HD2 TYR 66 2HD TYR 66 -11.461 0.741 -0.507 517 HE1 TYR 66 1HE TYR 66 -9.144 3.237 -4.057 518 HE2 TYR 66 2HE TYR 66 -10.983 3.135 -0.208 519 HH TYR 66 HH TYR 66 -10.373 5.042 -1.307 520 H THR 67 H THR 67 -13.736 -1.533 -2.560 521 HA THR 67 HA THR 67 -14.823 -3.424 -1.772 522 HB THR 67 HB THR 67 -15.955 -2.726 -3.893 523 HG1 THR 67 1HG THR 67 -17.276 -4.420 -3.715 524 HG21 THR 67 3HG2 THR 67 -14.002 -3.411 -5.353 525 HG22 THR 67 1HG2 THR 67 -15.597 -3.898 -5.926 526 HG23 THR 67 2HG2 THR 67 -14.543 -5.076 -5.143 527 H ILE 68 H ILE 68 -12.009 -3.885 -1.823 528 HA ILE 68 HA ILE 68 -11.066 -6.113 -3.089 529 HB ILE 68 HB ILE 68 -10.585 -5.382 -0.198 530 HG12 ILE 68 1HG1 ILE 68 -9.218 -4.585 -2.770 531 HG13 ILE 68 2HG1 ILE 68 -9.996 -3.530 -1.594 532 HG21 ILE 68 1HG2 ILE 68 -9.957 -7.742 -1.105 533 HG22 ILE 68 2HG2 ILE 68 -8.645 -6.877 -1.905 534 HG23 ILE 68 3HG2 ILE 68 -8.790 -6.829 -0.148 535 HD11 ILE 68 3HD1 ILE 68 -7.290 -4.580 -1.663 536 HD12 ILE 68 1HD1 ILE 68 -7.948 -3.188 -0.804 537 HD13 ILE 68 2HD1 ILE 68 -8.079 -4.801 -0.102 538 H GLU 69 H GLU 69 -12.619 -7.692 -3.434 539 HA GLU 69 HA GLU 69 -14.025 -8.902 -1.229 540 HB2 GLU 69 1HB GLU 69 -13.823 -9.845 -4.094 541 HB3 GLU 69 2HB GLU 69 -15.004 -10.364 -2.900 542 HG2 GLU 69 1HG GLU 69 -15.613 -7.833 -2.813 543 HG3 GLU 69 2HG GLU 69 -14.821 -7.789 -4.386 544 H ASN 70 H ASN 70 -11.304 -9.039 -0.771 545 HA ASN 70 HA ASN 70 -10.955 -11.896 -0.521 546 HB2 ASN 70 1HB ASN 70 -9.988 -11.285 -2.778 547 HB3 ASN 70 2HB ASN 70 -8.795 -10.315 -1.920 548 HD21 ASN 70 2HD2 ASN 70 -8.374 -14.292 -2.259 549 HD22 ASN 70 1HD2 ASN 70 -9.683 -13.416 -2.970 550 H SER 71 H SER 71 -10.708 -11.908 1.630 551 HA SER 71 HA SER 71 -9.621 -9.894 3.209 552 HB2 SER 71 1HB SER 71 -9.727 -12.870 3.761 553 HB3 SER 71 2HB SER 71 -9.423 -11.625 4.972 554 HG SER 71 HG SER 71 -11.724 -12.526 4.384 555 H SER 72 H SER 72 -8.054 -12.958 2.262 556 HA SER 72 HA SER 72 -5.598 -12.739 3.307 557 HB2 SER 72 1HB SER 72 -6.436 -13.659 0.572 558 HB3 SER 72 2HB SER 72 -4.737 -13.690 1.042 559 HG SER 72 HG SER 72 -5.162 -15.451 2.083 560 H HIS 73 H HIS 73 -6.741 -10.937 0.491 561 HA HIS 73 HA HIS 73 -4.294 -9.704 -0.160 562 HB2 HIS 73 1HB HIS 73 -6.274 -9.790 -1.663 563 HB3 HIS 73 2HB HIS 73 -7.086 -8.631 -0.615 564 HD1 HIS 73 1HD HIS 73 -6.527 -6.188 -0.930 565 HD2 HIS 73 2HD HIS 73 -4.052 -8.709 -3.116 566 HE1 HIS 73 1HE HIS 73 -5.212 -4.682 -2.455 567 HE2 HIS 73 2HE HIS 73 -3.783 -6.237 -3.828 568 H ARG 74 H ARG 74 -6.960 -8.706 1.946 569 HA ARG 74 HA ARG 74 -5.894 -6.158 2.578 570 HB2 ARG 74 1HB ARG 74 -7.992 -7.923 3.792 571 HB3 ARG 74 2HB ARG 74 -7.461 -6.479 4.644 572 HG2 ARG 74 1HG ARG 74 -8.041 -5.149 2.623 573 HG3 ARG 74 2HG ARG 74 -8.718 -6.617 1.915 574 HD2 ARG 74 1HD ARG 74 -9.623 -5.822 4.632 575 HD3 ARG 74 2HD ARG 74 -10.212 -4.891 3.256 576 HE ARG 74 HE ARG 74 -10.692 -7.417 2.482 577 HH11 ARG 74 2HH1 ARG 74 -11.388 -5.702 5.431 578 HH12 ARG 74 1HH1 ARG 74 -12.817 -6.618 5.779 579 HH21 ARG 74 1HH2 ARG 74 -13.489 -8.282 4.356 580 HH22 ARG 74 2HH2 ARG 74 -12.572 -8.629 2.929 581 H ARG 75 H ARG 75 -5.667 -9.330 4.123 582 HA ARG 75 HA ARG 75 -4.398 -8.578 6.485 583 HB2 ARG 75 1HB ARG 75 -5.273 -10.827 6.120 584 HB3 ARG 75 2HB ARG 75 -4.062 -11.116 4.878 585 HG2 ARG 75 1HG ARG 75 -3.123 -10.359 7.589 586 HG3 ARG 75 2HG ARG 75 -3.762 -11.986 7.347 587 HD2 ARG 75 1HD ARG 75 -2.181 -12.250 5.441 588 HD3 ARG 75 2HD ARG 75 -1.483 -10.686 5.863 589 HE ARG 75 HE ARG 75 -0.324 -11.722 7.529 590 HH11 ARG 75 2HH1 ARG 75 -3.036 -13.723 6.657 591 HH12 ARG 75 1HH1 ARG 75 -2.572 -15.030 7.695 592 HH21 ARG 75 1HH2 ARG 75 -0.676 -14.866 8.970 593 HH22 ARG 75 2HH2 ARG 75 0.298 -13.437 8.899 594 H VAL 76 H VAL 76 -3.015 -9.385 3.323 595 HA VAL 76 HA VAL 76 -0.307 -9.190 4.097 596 HB VAL 76 HB VAL 76 -1.531 -8.779 1.365 597 HG11 VAL 76 1HG1 VAL 76 1.141 -9.817 1.348 598 HG12 VAL 76 2HG1 VAL 76 0.504 -8.362 0.580 599 HG13 VAL 76 3HG1 VAL 76 1.093 -8.298 2.242 600 HG21 VAL 76 3HG2 VAL 76 -1.818 -11.012 2.688 601 HG22 VAL 76 1HG2 VAL 76 -1.347 -11.045 0.989 602 HG23 VAL 76 2HG2 VAL 76 -0.130 -11.265 2.246 603 H ILE 77 H ILE 77 -2.566 -6.841 2.711 604 HA ILE 77 HA ILE 77 -0.675 -4.744 2.446 605 HB ILE 77 HB ILE 77 -3.681 -4.786 2.526 606 HG12 ILE 77 1HG1 ILE 77 -1.757 -3.993 0.332 607 HG13 ILE 77 2HG1 ILE 77 -2.424 -5.612 0.513 608 HG21 ILE 77 1HG2 ILE 77 -3.123 -2.303 1.608 609 HG22 ILE 77 2HG2 ILE 77 -3.568 -2.669 3.274 610 HG23 ILE 77 3HG2 ILE 77 -1.869 -2.493 2.834 611 HD11 ILE 77 3HD1 ILE 77 -3.952 -3.082 -0.040 612 HD12 ILE 77 1HD1 ILE 77 -3.664 -4.419 -1.153 613 HD13 ILE 77 2HD1 ILE 77 -4.688 -4.656 0.264 614 H LEU 78 H LEU 78 -3.381 -5.048 4.756 615 HA LEU 78 HA LEU 78 -2.710 -2.968 6.432 616 HB2 LEU 78 1HB LEU 78 -4.132 -5.558 6.855 617 HB3 LEU 78 2HB LEU 78 -3.785 -4.525 8.240 618 HG LEU 78 HG LEU 78 -6.082 -4.282 7.272 619 HD11 LEU 78 1HD1 LEU 78 -5.307 -1.602 6.873 620 HD12 LEU 78 2HD1 LEU 78 -4.222 -2.279 8.087 621 HD13 LEU 78 3HD1 LEU 78 -5.967 -2.342 8.332 622 HD21 LEU 78 3HD2 LEU 78 -5.262 -4.493 4.889 623 HD22 LEU 78 1HD2 LEU 78 -4.708 -2.824 5.029 624 HD23 LEU 78 2HD2 LEU 78 -6.423 -3.201 5.199 625 H THR 79 H THR 79 -1.915 -6.398 7.024 626 HA THR 79 HA THR 79 -0.329 -6.150 9.230 627 HB THR 79 HB THR 79 0.190 -7.998 6.891 628 HG1 THR 79 1HG THR 79 -1.172 -9.399 7.969 629 HG21 THR 79 3HG2 THR 79 1.306 -9.430 8.536 630 HG22 THR 79 1HG2 THR 79 1.050 -8.207 9.780 631 HG23 THR 79 2HG2 THR 79 2.106 -7.864 8.410 632 H GLU 80 H GLU 80 0.935 -6.187 5.889 633 HA GLU 80 HA GLU 80 3.564 -5.543 6.491 634 HB2 GLU 80 1HB GLU 80 1.890 -4.998 4.046 635 HB3 GLU 80 2HB GLU 80 3.595 -4.576 4.123 636 HG2 GLU 80 1HG GLU 80 2.816 -7.352 4.818 637 HG3 GLU 80 2HG GLU 80 2.766 -6.870 3.123 638 H LEU 81 H LEU 81 0.804 -3.413 5.919 639 HA LEU 81 HA LEU 81 2.246 -0.984 5.956 640 HB2 LEU 81 1HB LEU 81 -0.575 -1.814 6.096 641 HB3 LEU 81 2HB LEU 81 -0.209 -0.255 6.833 642 HG LEU 81 HG LEU 81 0.630 -0.887 4.021 643 HD11 LEU 81 1HD1 LEU 81 -1.413 -0.573 3.173 644 HD12 LEU 81 2HD1 LEU 81 -1.799 0.706 4.324 645 HD13 LEU 81 3HD1 LEU 81 -1.992 -0.985 4.787 646 HD21 LEU 81 3HD2 LEU 81 1.582 1.070 5.248 647 HD22 LEU 81 1HD2 LEU 81 -0.051 1.727 5.356 648 HD23 LEU 81 2HD2 LEU 81 0.701 1.488 3.778 649 H GLU 82 H GLU 82 0.886 -2.996 8.476 650 HA GLU 82 HA GLU 82 0.990 -1.129 10.584 651 HB2 GLU 82 1HB GLU 82 -0.291 -3.174 10.797 652 HB3 GLU 82 2HB GLU 82 1.164 -4.145 10.619 653 HG2 GLU 82 1HG GLU 82 0.626 -4.143 12.913 654 HG3 GLU 82 2HG GLU 82 2.015 -3.075 12.722 655 H ARG 83 H ARG 83 3.425 -3.031 9.023 656 HA ARG 83 HA ARG 83 5.361 -2.664 11.152 657 HB2 ARG 83 1HB ARG 83 5.919 -3.718 8.384 658 HB3 ARG 83 2HB ARG 83 6.828 -4.009 9.861 659 HG2 ARG 83 1HG ARG 83 4.899 -5.273 10.753 660 HG3 ARG 83 2HG ARG 83 4.083 -5.053 9.204 661 HD2 ARG 83 1HD ARG 83 5.833 -6.270 8.066 662 HD3 ARG 83 2HD ARG 83 6.756 -6.401 9.563 663 HE ARG 83 HE ARG 83 4.643 -8.093 8.724 664 HH11 ARG 83 2HH1 ARG 83 6.021 -6.602 11.552 665 HH12 ARG 83 1HH1 ARG 83 5.456 -7.831 12.635 666 HH21 ARG 83 1HH2 ARG 83 4.247 -9.602 11.831 667 HH22 ARG 83 2HH2 ARG 83 3.893 -9.717 10.140 668 H VAL 84 H VAL 84 5.216 -1.779 7.696 669 HA VAL 84 HA VAL 84 7.396 -0.137 7.532 670 HB VAL 84 HB VAL 84 6.200 1.112 5.751 671 HG11 VAL 84 1HG1 VAL 84 5.734 -1.860 5.574 672 HG12 VAL 84 2HG1 VAL 84 5.992 -0.735 4.239 673 HG13 VAL 84 3HG1 VAL 84 7.305 -1.089 5.362 674 HG21 VAL 84 3HG2 VAL 84 3.868 -0.334 6.925 675 HG22 VAL 84 1HG2 VAL 84 3.996 1.338 6.378 676 HG23 VAL 84 2HG2 VAL 84 3.884 0.031 5.199 677 H ARG 85 H ARG 85 4.189 0.678 8.770 678 HA ARG 85 HA ARG 85 4.850 3.440 9.209 679 HB2 ARG 85 1HB ARG 85 2.659 3.721 9.862 680 HB3 ARG 85 2HB ARG 85 2.513 2.307 8.827 681 HG2 ARG 85 1HG ARG 85 2.592 0.869 10.827 682 HG3 ARG 85 2HG ARG 85 2.649 2.317 11.835 683 HD2 ARG 85 1HD ARG 85 0.449 1.844 9.846 684 HD3 ARG 85 2HD ARG 85 0.375 1.205 11.488 685 HE ARG 85 HE ARG 85 0.883 3.803 11.918 686 HH11 ARG 85 2HH1 ARG 85 -1.453 2.188 9.905 687 HH12 ARG 85 1HH1 ARG 85 -2.634 3.450 10.038 688 HH21 ARG 85 1HH2 ARG 85 -2.182 5.317 11.286 689 HH22 ARG 85 2HH2 ARG 85 -0.663 5.471 12.101 690 H SER 86 H SER 86 4.519 0.550 11.231 691 HA SER 86 HA SER 86 6.105 1.902 13.297 692 HB2 SER 86 1HB SER 86 3.633 1.940 13.862 693 HB3 SER 86 2HB SER 86 3.711 0.181 13.964 694 HG SER 86 HG SER 86 4.076 1.587 15.950 695 H GLY 87 H GLY 87 7.932 0.760 13.337 696 HA2 GLY 87 1HA GLY 87 8.324 -1.667 14.427 697 HA3 GLY 87 2HA GLY 87 7.931 -2.083 12.766 698 HA PRO 88 HA PRO 88 12.116 0.400 12.818 699 HB2 PRO 88 2HB PRO 88 12.304 1.628 14.751 700 HB3 PRO 88 1HB PRO 88 13.425 0.335 15.195 701 HG2 PRO 88 1HG PRO 88 11.838 -0.774 16.476 702 HG3 PRO 88 2HG PRO 88 11.324 0.903 16.732 703 HD2 PRO 88 1HD PRO 88 9.654 -1.003 15.779 704 HD3 PRO 88 2HD PRO 88 9.527 0.702 15.303 705 H SER 89 H SER 89 12.380 -1.607 11.613 706 HA SER 89 HA SER 89 13.596 -3.862 12.952 707 HB2 SER 89 1HB SER 89 13.722 -4.805 10.623 708 HB3 SER 89 2HB SER 89 12.095 -4.365 11.141 709 HG SER 89 HG SER 89 13.714 -2.561 9.697 710 H SER 90 H SER 90 15.628 -4.816 12.002 711 HA SER 90 HA SER 90 17.521 -2.819 11.019 712 HB2 SER 90 1HB SER 90 19.165 -3.307 12.734 713 HB3 SER 90 2HB SER 90 17.666 -2.797 13.510 714 HG SER 90 HG SER 90 18.873 -5.316 13.435 715 H GLY 91 H GLY 91 18.296 -3.707 9.224 716 HA2 GLY 91 1HA GLY 91 19.731 -5.226 8.118 717 HA3 GLY 91 2HA GLY 91 19.385 -6.420 9.361 Start of MODEL 10 1 H1 GLY 1 H GLY 1 10.774 18.948 -3.512 2 HA2 GLY 1 1HA GLY 1 12.717 17.411 -4.113 3 HA3 GLY 1 2HA GLY 1 11.727 16.159 -3.380 4 H SER 2 H SER 2 12.344 15.464 -5.755 5 HA SER 2 HA SER 2 10.098 16.262 -7.489 6 HB2 SER 2 1HB SER 2 12.968 15.678 -8.128 7 HB3 SER 2 2HB SER 2 11.728 15.363 -9.342 8 HG SER 2 HG SER 2 11.524 17.432 -9.652 9 H SER 3 H SER 3 12.092 13.634 -6.291 10 HA SER 3 HA SER 3 11.920 11.352 -6.523 11 HB2 SER 3 1HB SER 3 9.054 12.128 -5.929 12 HB3 SER 3 2HB SER 3 9.720 10.505 -5.748 13 HG SER 3 HG SER 3 10.762 12.784 -4.422 14 H GLY 4 H GLY 4 11.950 12.515 -9.039 15 HA2 GLY 4 1HA GLY 4 9.897 10.990 -10.514 16 HA3 GLY 4 2HA GLY 4 10.703 12.426 -11.128 17 H SER 5 H SER 5 10.457 9.540 -12.063 18 HA SER 5 HA SER 5 11.744 7.934 -13.047 19 HB2 SER 5 1HB SER 5 13.356 10.441 -13.496 20 HB3 SER 5 2HB SER 5 13.865 8.885 -14.151 21 HG SER 5 HG SER 5 12.559 10.153 -15.600 22 H SER 6 H SER 6 11.999 8.002 -10.264 23 HA SER 6 HA SER 6 14.736 6.984 -9.971 24 HB2 SER 6 1HB SER 6 14.955 8.033 -7.772 25 HB3 SER 6 2HB SER 6 14.670 9.261 -9.005 26 HG SER 6 HG SER 6 13.339 9.671 -7.251 27 H GLY 7 H GLY 7 14.501 4.888 -9.561 28 HA2 GLY 7 1HA GLY 7 12.315 4.063 -7.752 29 HA3 GLY 7 2HA GLY 7 12.925 3.067 -9.065 30 H GLU 8 H GLU 8 12.807 3.038 -5.920 31 HA GLU 8 HA GLU 8 15.350 1.643 -5.663 32 HB2 GLU 8 1HB GLU 8 14.640 4.151 -4.227 33 HB3 GLU 8 2HB GLU 8 15.464 2.897 -3.310 34 HG2 GLU 8 1HG GLU 8 17.297 2.905 -4.899 35 HG3 GLU 8 2HG GLU 8 16.465 4.116 -5.874 36 H HIS 9 H HIS 9 15.336 0.015 -4.142 37 HA HIS 9 HA HIS 9 12.748 -0.464 -2.816 38 HB2 HIS 9 1HB HIS 9 12.953 -2.766 -3.206 39 HB3 HIS 9 2HB HIS 9 13.513 -2.039 -4.709 40 HD1 HIS 9 1HD HIS 9 16.079 -2.157 -5.192 41 HD2 HIS 9 2HD HIS 9 14.853 -4.219 -1.801 42 HE1 HIS 9 1HE HIS 9 18.012 -3.642 -4.573 43 HE2 HIS 9 2HE HIS 9 17.215 -4.942 -2.569 44 H GLY 10 H GLY 10 12.845 -0.221 -0.687 45 HA2 GLY 10 1HA GLY 10 13.929 -1.425 1.289 46 HA3 GLY 10 2HA GLY 10 15.416 -0.726 0.666 47 H LEU 11 H LEU 11 14.663 1.814 0.013 48 HA LEU 11 HA LEU 11 14.735 3.127 2.490 49 HB2 LEU 11 1HB LEU 11 14.959 5.045 1.300 50 HB3 LEU 11 2HB LEU 11 15.345 3.882 0.033 51 HG LEU 11 HG LEU 11 13.927 5.526 -0.925 52 HD11 LEU 11 1HD1 LEU 11 12.987 2.805 -0.550 53 HD12 LEU 11 2HD1 LEU 11 13.048 3.792 -2.010 54 HD13 LEU 11 3HD1 LEU 11 11.677 3.931 -0.908 55 HD21 LEU 11 3HD2 LEU 11 11.620 5.068 0.845 56 HD22 LEU 11 1HD2 LEU 11 12.198 6.553 0.088 57 HD23 LEU 11 2HD2 LEU 11 12.965 5.957 1.560 58 H LEU 12 H LEU 12 12.129 1.768 0.815 59 HA LEU 12 HA LEU 12 9.950 3.315 1.153 60 HB2 LEU 12 1HB LEU 12 10.411 0.403 1.475 61 HB3 LEU 12 2HB LEU 12 8.863 1.045 2.020 62 HG LEU 12 HG LEU 12 8.744 0.135 -0.253 63 HD11 LEU 12 1HD1 LEU 12 7.506 2.275 0.626 64 HD12 LEU 12 2HD1 LEU 12 7.375 1.781 -1.062 65 HD13 LEU 12 3HD1 LEU 12 8.479 3.079 -0.606 66 HD21 LEU 12 3HD2 LEU 12 10.983 2.056 -0.692 67 HD22 LEU 12 1HD2 LEU 12 9.871 1.704 -2.015 68 HD23 LEU 12 2HD2 LEU 12 10.791 0.399 -1.265 69 H VAL 13 H VAL 13 11.230 1.206 3.731 70 HA VAL 13 HA VAL 13 9.501 2.146 5.744 71 HB VAL 13 HB VAL 13 11.099 1.145 7.341 72 HG11 VAL 13 1HG1 VAL 13 10.539 -1.016 6.820 73 HG12 VAL 13 2HG1 VAL 13 9.421 -0.138 5.774 74 HG13 VAL 13 3HG1 VAL 13 10.907 -0.815 5.107 75 HG21 VAL 13 3HG2 VAL 13 12.815 1.005 4.891 76 HG22 VAL 13 1HG2 VAL 13 13.227 1.563 6.513 77 HG23 VAL 13 2HG2 VAL 13 13.020 -0.160 6.200 78 H HIS 14 H HIS 14 12.846 3.034 4.933 79 HA HIS 14 HA HIS 14 13.425 4.800 6.942 80 HB2 HIS 14 1HB HIS 14 14.109 5.073 4.008 81 HB3 HIS 14 2HB HIS 14 14.882 5.977 5.307 82 HD1 HIS 14 1HD HIS 14 16.398 4.007 3.386 83 HD2 HIS 14 2HD HIS 14 15.057 3.098 7.212 84 HE1 HIS 14 1HE HIS 14 17.833 2.095 4.165 85 HE2 HIS 14 2HE HIS 14 16.947 1.507 6.448 86 H LYS 15 H LYS 15 11.385 5.331 4.129 87 HA LYS 15 HA LYS 15 10.835 8.068 5.043 88 HB2 LYS 15 1HB LYS 15 11.495 7.945 2.724 89 HB3 LYS 15 2HB LYS 15 10.297 6.698 2.404 90 HG2 LYS 15 1HG LYS 15 8.608 8.520 3.203 91 HG3 LYS 15 2HG LYS 15 9.925 9.627 2.806 92 HD2 LYS 15 1HD LYS 15 10.023 8.576 0.542 93 HD3 LYS 15 2HD LYS 15 8.578 7.654 0.964 94 HE2 LYS 15 1HE LYS 15 7.287 9.652 1.191 95 HE3 LYS 15 2HE LYS 15 8.725 10.663 1.047 96 HZ1 LYS 15 3HZ LYS 15 7.333 9.127 -1.051 97 HZ2 LYS 15 1HZ LYS 15 8.957 9.562 -1.240 98 HZ3 LYS 15 2HZ LYS 15 7.778 10.759 -1.047 99 H ALA 16 H ALA 16 8.985 8.519 6.037 100 HA ALA 16 HA ALA 16 7.157 6.706 6.942 101 HB1 ALA 16 3HB ALA 16 7.345 9.071 7.677 102 HB2 ALA 16 1HB ALA 16 6.483 9.552 6.215 103 HB3 ALA 16 2HB ALA 16 5.683 8.540 7.418 104 H VAL 17 H VAL 17 5.046 6.080 6.339 105 HA VAL 17 HA VAL 17 4.732 5.625 3.526 106 HB VAL 17 HB VAL 17 2.886 5.006 5.836 107 HG11 VAL 17 1HG1 VAL 17 1.781 5.257 3.579 108 HG12 VAL 17 2HG1 VAL 17 2.740 3.872 3.053 109 HG13 VAL 17 3HG1 VAL 17 1.576 3.693 4.367 110 HG21 VAL 17 3HG2 VAL 17 3.798 2.872 5.887 111 HG22 VAL 17 1HG2 VAL 17 4.470 3.013 4.262 112 HG23 VAL 17 2HG2 VAL 17 5.211 3.888 5.602 113 H ASP 18 H ASP 18 3.357 7.806 5.891 114 HA ASP 18 HA ASP 18 1.166 8.683 4.305 115 HB2 ASP 18 1HB ASP 18 0.766 10.271 5.984 116 HB3 ASP 18 2HB ASP 18 1.512 8.930 6.849 117 H LYS 19 H LYS 19 4.370 8.988 3.750 118 HA LYS 19 HA LYS 19 4.070 11.610 2.438 119 HB2 LYS 19 1HB LYS 19 6.351 10.312 3.839 120 HB3 LYS 19 2HB LYS 19 6.727 11.306 2.438 121 HG2 LYS 19 1HG LYS 19 6.909 12.684 4.357 122 HG3 LYS 19 2HG LYS 19 5.434 13.159 3.513 123 HD2 LYS 19 1HD LYS 19 4.058 12.222 5.121 124 HD3 LYS 19 2HD LYS 19 5.310 11.119 5.696 125 HE2 LYS 19 1HE LYS 19 5.521 14.100 6.018 126 HE3 LYS 19 2HE LYS 19 4.705 13.082 7.204 127 HZ1 LYS 19 3HZ LYS 19 7.428 13.600 6.991 128 HZ2 LYS 19 1HZ LYS 19 7.216 11.970 6.592 129 HZ3 LYS 19 2HZ LYS 19 6.655 12.557 8.075 130 H TRP 20 H TRP 20 4.074 8.380 1.834 131 HA TRP 20 HA TRP 20 5.740 8.140 -0.430 132 HB2 TRP 20 1HB TRP 20 3.279 6.595 0.404 133 HB3 TRP 20 2HB TRP 20 4.298 6.148 -0.961 134 HD1 TRP 20 HD TRP 20 6.497 7.415 1.684 135 HE1 TRP 20 1HE TRP 20 7.561 5.478 3.004 136 HE3 TRP 20 3HE TRP 20 3.527 3.589 0.047 137 HZ2 TRP 20 2HZ TRP 20 7.191 2.696 3.310 138 HZ3 TRP 20 3HZ TRP 20 3.949 1.321 0.902 139 HH2 TRP 20 HH TRP 20 5.743 0.885 2.499 140 H THR 21 H THR 21 5.004 7.815 -2.669 141 HA THR 21 HA THR 21 2.875 9.732 -3.350 142 HB THR 21 HB THR 21 4.023 9.819 -5.610 143 HG1 THR 21 1HG THR 21 5.784 8.673 -5.896 144 HG21 THR 21 3HG2 THR 21 5.646 10.733 -3.232 145 HG22 THR 21 1HG2 THR 21 4.261 11.589 -3.908 146 HG23 THR 21 2HG2 THR 21 5.728 11.389 -4.867 147 H THR 22 H THR 22 1.586 9.269 -5.255 148 HA THR 22 HA THR 22 0.230 6.928 -5.244 149 HB THR 22 HB THR 22 0.788 8.278 -7.876 150 HG1 THR 22 1HG THR 22 -0.003 10.061 -7.078 151 HG21 THR 22 3HG2 THR 22 -0.739 6.195 -7.500 152 HG22 THR 22 1HG2 THR 22 -1.305 7.520 -8.516 153 HG23 THR 22 2HG2 THR 22 -1.876 7.377 -6.854 154 H GLU 23 H GLU 23 3.390 7.443 -6.538 155 HA GLU 23 HA GLU 23 3.409 5.040 -8.137 156 HB2 GLU 23 1HB GLU 23 4.793 7.264 -8.423 157 HB3 GLU 23 2HB GLU 23 5.908 6.464 -7.324 158 HG2 GLU 23 1HG GLU 23 6.217 4.650 -8.842 159 HG3 GLU 23 2HG GLU 23 4.933 5.245 -9.893 160 H GLU 24 H GLU 24 5.163 6.119 -5.223 161 HA GLU 24 HA GLU 24 6.405 3.703 -4.632 162 HB2 GLU 24 1HB GLU 24 5.555 6.031 -2.936 163 HB3 GLU 24 2HB GLU 24 6.290 4.612 -2.203 164 HG2 GLU 24 1HG GLU 24 7.677 5.852 -4.512 165 HG3 GLU 24 2HG GLU 24 7.712 6.703 -2.968 166 H VAL 25 H VAL 25 3.255 4.934 -3.558 167 HA VAL 25 HA VAL 25 2.481 3.019 -1.772 168 HB VAL 25 HB VAL 25 0.739 4.254 -3.910 169 HG11 VAL 25 1HG1 VAL 25 -0.314 3.387 -1.269 170 HG12 VAL 25 2HG1 VAL 25 -1.123 3.482 -2.835 171 HG13 VAL 25 3HG1 VAL 25 -0.014 2.153 -2.492 172 HG21 VAL 25 3HG2 VAL 25 2.072 5.399 -1.683 173 HG22 VAL 25 1HG2 VAL 25 0.935 6.162 -2.795 174 HG23 VAL 25 2HG2 VAL 25 0.345 5.377 -1.330 175 H VAL 26 H VAL 26 2.181 2.831 -5.310 176 HA VAL 26 HA VAL 26 1.050 0.217 -5.309 177 HB VAL 26 HB VAL 26 2.459 1.681 -7.547 178 HG11 VAL 26 1HG1 VAL 26 1.293 0.151 -9.034 179 HG12 VAL 26 2HG1 VAL 26 2.315 -0.744 -7.908 180 HG13 VAL 26 3HG1 VAL 26 0.572 -0.671 -7.651 181 HG21 VAL 26 3HG2 VAL 26 0.219 2.519 -6.313 182 HG22 VAL 26 1HG2 VAL 26 0.536 2.765 -8.030 183 HG23 VAL 26 2HG2 VAL 26 -0.481 1.423 -7.504 184 H LEU 27 H LEU 27 4.318 1.485 -5.499 185 HA LEU 27 HA LEU 27 5.624 -0.856 -6.339 186 HB2 LEU 27 1HB LEU 27 6.419 1.654 -4.974 187 HB3 LEU 27 2HB LEU 27 7.537 0.295 -4.884 188 HG LEU 27 HG LEU 27 6.535 1.617 -7.405 189 HD11 LEU 27 1HD1 LEU 27 9.256 1.810 -7.370 190 HD12 LEU 27 2HD1 LEU 27 8.850 2.038 -5.670 191 HD13 LEU 27 3HD1 LEU 27 8.139 3.089 -6.895 192 HD21 LEU 27 3HD2 LEU 27 8.504 0.134 -8.301 193 HD22 LEU 27 1HD2 LEU 27 6.883 -0.537 -8.114 194 HD23 LEU 27 2HD2 LEU 27 8.116 -0.858 -6.894 195 H TRP 28 H TRP 28 5.222 0.463 -3.050 196 HA TRP 28 HA TRP 28 6.406 -1.644 -1.668 197 HB2 TRP 28 1HB TRP 28 5.999 0.277 -0.397 198 HB3 TRP 28 2HB TRP 28 4.323 0.388 -0.925 199 HD1 TRP 28 HD TRP 28 6.556 -1.610 1.493 200 HE1 TRP 28 1HE TRP 28 5.059 -2.623 3.325 201 HE3 TRP 28 3HE TRP 28 1.983 -0.299 -0.379 202 HZ2 TRP 28 2HZ TRP 28 2.304 -2.838 3.901 203 HZ3 TRP 28 3HZ TRP 28 -0.034 -0.947 0.873 204 HH2 TRP 28 HH TRP 28 0.125 -2.190 2.968 205 H LEU 29 H LEU 29 3.069 -1.226 -2.754 206 HA LEU 29 HA LEU 29 2.124 -3.622 -1.509 207 HB2 LEU 29 1HB LEU 29 0.538 -1.909 -1.896 208 HB3 LEU 29 2HB LEU 29 0.983 -1.785 -3.596 209 HG LEU 29 HG LEU 29 0.085 -4.224 -3.735 210 HD11 LEU 29 1HD1 LEU 29 -1.706 -4.703 -2.165 211 HD12 LEU 29 2HD1 LEU 29 -1.350 -3.219 -1.281 212 HD13 LEU 29 3HD1 LEU 29 -0.169 -4.528 -1.318 213 HD21 LEU 29 3HD2 LEU 29 -2.211 -2.461 -3.340 214 HD22 LEU 29 1HD2 LEU 29 -1.664 -3.309 -4.787 215 HD23 LEU 29 2HD2 LEU 29 -0.940 -1.763 -4.345 216 H GLU 30 H GLU 30 3.575 -2.816 -4.561 217 HA GLU 30 HA GLU 30 2.785 -5.234 -5.894 218 HB2 GLU 30 1HB GLU 30 4.568 -2.926 -6.525 219 HB3 GLU 30 2HB GLU 30 4.788 -4.418 -7.429 220 HG2 GLU 30 1HG GLU 30 2.309 -4.316 -7.932 221 HG3 GLU 30 2HG GLU 30 2.352 -2.672 -7.296 222 H GLN 31 H GLN 31 4.644 -4.906 -3.320 223 HA GLN 31 HA GLN 31 6.676 -6.842 -4.205 224 HB2 GLN 31 1HB GLN 31 6.664 -4.768 -2.036 225 HB3 GLN 31 2HB GLN 31 7.754 -6.145 -1.946 226 HG2 GLN 31 1HG GLN 31 8.757 -5.521 -4.063 227 HG3 GLN 31 2HG GLN 31 7.630 -4.175 -4.218 228 HE21 GLN 31 2HE2 GLN 31 9.292 -2.096 -1.925 229 HE22 GLN 31 1HE2 GLN 31 7.785 -2.443 -2.696 230 H LEU 32 H LEU 32 4.031 -6.283 -2.038 231 HA LEU 32 HA LEU 32 4.519 -8.364 -0.196 232 HB2 LEU 32 1HB LEU 32 1.754 -7.534 -0.964 233 HB3 LEU 32 2HB LEU 32 2.388 -7.971 0.621 234 HG LEU 32 HG LEU 32 2.814 -5.379 -0.859 235 HD11 LEU 32 1HD1 LEU 32 1.690 -5.565 1.878 236 HD12 LEU 32 2HD1 LEU 32 0.657 -6.044 0.532 237 HD13 LEU 32 3HD1 LEU 32 1.342 -4.420 0.582 238 HD21 LEU 32 3HD2 LEU 32 3.748 -5.291 1.822 239 HD22 LEU 32 1HD2 LEU 32 4.653 -5.036 0.330 240 HD23 LEU 32 2HD2 LEU 32 4.518 -6.656 1.013 241 H GLY 33 H GLY 33 3.148 -8.309 -3.399 242 HA2 GLY 33 1HA GLY 33 3.450 -11.062 -3.808 243 HA3 GLY 33 2HA GLY 33 1.781 -10.772 -3.340 244 HA PRO 34 HA PRO 34 2.591 -9.996 -7.968 245 HB2 PRO 34 2HB PRO 34 3.164 -12.143 -8.551 246 HB3 PRO 34 1HB PRO 34 1.446 -12.251 -8.952 247 HG2 PRO 34 1HG PRO 34 0.916 -13.315 -6.957 248 HG3 PRO 34 2HG PRO 34 2.550 -13.951 -7.222 249 HD2 PRO 34 1HD PRO 34 1.839 -12.664 -4.949 250 HD3 PRO 34 2HD PRO 34 3.480 -12.579 -5.621 251 H TRP 35 H TRP 35 -0.056 -11.077 -5.984 252 HA TRP 35 HA TRP 35 -2.158 -10.546 -7.812 253 HB2 TRP 35 1HB TRP 35 -3.540 -10.431 -5.641 254 HB3 TRP 35 2HB TRP 35 -2.734 -11.950 -6.021 255 HD1 TRP 35 HD TRP 35 -1.097 -12.893 -4.250 256 HE1 TRP 35 1HE TRP 35 -0.213 -12.062 -1.980 257 HE3 TRP 35 3HE TRP 35 -2.879 -8.103 -4.388 258 HZ2 TRP 35 2HZ TRP 35 -0.264 -9.690 -0.450 259 HZ3 TRP 35 3HZ TRP 35 -2.418 -6.617 -2.482 260 HH2 TRP 35 HH TRP 35 -1.138 -7.397 -0.554 261 H ALA 36 H ALA 36 -0.110 -8.514 -6.015 262 HA ALA 36 HA ALA 36 -1.756 -6.336 -5.430 263 HB1 ALA 36 3HB ALA 36 1.156 -6.713 -5.854 264 HB2 ALA 36 1HB ALA 36 0.528 -5.065 -5.876 265 HB3 ALA 36 2HB ALA 36 0.285 -6.083 -4.456 266 H SER 37 H SER 37 -0.266 -7.342 -8.434 267 HA SER 37 HA SER 37 -0.606 -4.934 -9.867 268 HB2 SER 37 1HB SER 37 0.733 -7.140 -10.436 269 HB3 SER 37 2HB SER 37 -0.764 -7.576 -11.261 270 HG SER 37 HG SER 37 0.013 -6.405 -12.821 271 H LEU 38 H LEU 38 -2.863 -7.142 -8.697 272 HA LEU 38 HA LEU 38 -4.833 -6.702 -10.780 273 HB2 LEU 38 1HB LEU 38 -5.113 -8.081 -8.115 274 HB3 LEU 38 2HB LEU 38 -6.281 -8.118 -9.435 275 HG LEU 38 HG LEU 38 -3.523 -9.139 -9.929 276 HD11 LEU 38 1HD1 LEU 38 -4.285 -10.117 -7.763 277 HD12 LEU 38 2HD1 LEU 38 -4.038 -11.296 -9.050 278 HD13 LEU 38 3HD1 LEU 38 -5.672 -10.793 -8.618 279 HD21 LEU 38 3HD2 LEU 38 -6.171 -9.260 -11.150 280 HD22 LEU 38 1HD2 LEU 38 -5.369 -10.827 -11.049 281 HD23 LEU 38 2HD2 LEU 38 -4.575 -9.483 -11.870 282 H TYR 39 H TYR 39 -3.786 -5.112 -7.999 283 HA TYR 39 HA TYR 39 -6.331 -3.636 -7.810 284 HB2 TYR 39 1HB TYR 39 -4.256 -4.042 -5.646 285 HB3 TYR 39 2HB TYR 39 -5.747 -3.121 -5.482 286 HD1 TYR 39 2HD TYR 39 -7.895 -4.251 -5.304 287 HD2 TYR 39 1HD TYR 39 -4.284 -6.469 -5.684 288 HE1 TYR 39 2HE TYR 39 -9.080 -6.288 -4.600 289 HE2 TYR 39 1HE TYR 39 -5.459 -8.513 -4.982 290 HH TYR 39 HH TYR 39 -8.734 -8.429 -3.783 291 H ARG 40 H ARG 40 -2.976 -3.487 -8.451 292 HA ARG 40 HA ARG 40 -2.207 -0.948 -7.782 293 HB2 ARG 40 1HB ARG 40 -0.523 -1.125 -9.385 294 HB3 ARG 40 2HB ARG 40 -0.916 -2.802 -9.033 295 HG2 ARG 40 1HG ARG 40 -2.389 -2.805 -11.043 296 HG3 ARG 40 2HG ARG 40 -1.779 -1.194 -11.423 297 HD2 ARG 40 1HD ARG 40 0.553 -2.425 -11.124 298 HD3 ARG 40 2HD ARG 40 -0.419 -3.830 -11.560 299 HE ARG 40 HE ARG 40 -0.530 -3.042 -13.704 300 HH11 ARG 40 2HH1 ARG 40 0.508 -0.470 -11.600 301 HH12 ARG 40 1HH1 ARG 40 0.862 0.623 -12.896 302 HH21 ARG 40 1HH2 ARG 40 0.534 -0.027 -15.068 303 HH22 ARG 40 2HH2 ARG 40 -0.067 -1.612 -15.419 304 H ASP 41 H ASP 41 -4.030 -1.925 -10.667 305 HA ASP 41 HA ASP 41 -4.189 0.455 -12.018 306 HB2 ASP 41 1HB ASP 41 -5.263 -1.926 -12.462 307 HB3 ASP 41 2HB ASP 41 -6.689 -1.159 -11.769 308 H ARG 42 H ARG 42 -6.149 -0.596 -9.265 309 HA ARG 42 HA ARG 42 -7.841 1.688 -9.249 310 HB2 ARG 42 1HB ARG 42 -7.203 -0.087 -6.893 311 HB3 ARG 42 2HB ARG 42 -8.650 0.879 -7.147 312 HG2 ARG 42 1HG ARG 42 -8.959 -0.613 -9.251 313 HG3 ARG 42 2HG ARG 42 -7.853 -1.702 -8.411 314 HD2 ARG 42 1HD ARG 42 -9.327 -1.965 -6.595 315 HD3 ARG 42 2HD ARG 42 -10.301 -0.578 -7.082 316 HE ARG 42 HE ARG 42 -10.602 -3.261 -7.964 317 HH11 ARG 42 2HH1 ARG 42 -10.875 0.049 -9.008 318 HH12 ARG 42 1HH1 ARG 42 -12.066 -0.294 -10.218 319 HH21 ARG 42 1HH2 ARG 42 -12.803 -2.442 -10.528 320 HH22 ARG 42 2HH2 ARG 42 -12.170 -3.726 -9.554 321 H PHE 43 H PHE 43 -4.818 0.866 -7.638 322 HA PHE 43 HA PHE 43 -4.734 3.015 -5.833 323 HB2 PHE 43 1HB PHE 43 -2.624 1.275 -7.079 324 HB3 PHE 43 2HB PHE 43 -2.177 2.618 -6.031 325 HD1 PHE 43 2HD PHE 43 -4.870 0.037 -5.887 326 HD2 PHE 43 1HD PHE 43 -1.524 1.846 -3.976 327 HE1 PHE 43 2HE PHE 43 -5.230 -1.388 -3.914 328 HE2 PHE 43 1HE PHE 43 -1.878 0.423 -2.000 329 HZ PHE 43 HZ PHE 43 -3.734 -1.196 -1.967 330 H LEU 44 H LEU 44 -3.504 2.696 -9.141 331 HA LEU 44 HA LEU 44 -2.393 5.329 -9.212 332 HB2 LEU 44 1HB LEU 44 -3.024 3.319 -11.361 333 HB3 LEU 44 2HB LEU 44 -2.282 4.883 -11.691 334 HG LEU 44 HG LEU 44 -0.524 3.315 -11.674 335 HD11 LEU 44 1HD1 LEU 44 0.892 4.111 -9.956 336 HD12 LEU 44 2HD1 LEU 44 -0.471 4.471 -8.898 337 HD13 LEU 44 3HD1 LEU 44 -0.204 5.436 -10.349 338 HD21 LEU 44 3HD2 LEU 44 -1.691 1.464 -10.615 339 HD22 LEU 44 1HD2 LEU 44 -1.631 2.294 -9.060 340 HD23 LEU 44 2HD2 LEU 44 -0.139 1.748 -9.825 341 H SER 45 H SER 45 -5.223 3.858 -10.810 342 HA SER 45 HA SER 45 -6.253 6.101 -12.030 343 HB2 SER 45 1HB SER 45 -7.072 3.586 -11.959 344 HB3 SER 45 2HB SER 45 -8.163 4.207 -10.720 345 HG SER 45 HG SER 45 -8.449 5.941 -12.523 346 H GLU 46 H GLU 46 -7.019 4.914 -8.759 347 HA GLU 46 HA GLU 46 -8.551 7.275 -8.142 348 HB2 GLU 46 1HB GLU 46 -7.669 4.920 -6.472 349 HB3 GLU 46 2HB GLU 46 -8.630 6.248 -5.838 350 HG2 GLU 46 1HG GLU 46 -9.444 4.453 -8.112 351 HG3 GLU 46 2HG GLU 46 -9.984 4.293 -6.442 352 H ARG 47 H ARG 47 -5.467 7.125 -8.664 353 HA ARG 47 HA ARG 47 -3.547 8.064 -7.838 354 HB2 ARG 47 1HB ARG 47 -5.567 10.140 -6.970 355 HB3 ARG 47 2HB ARG 47 -3.835 10.404 -7.123 356 HG2 ARG 47 1HG ARG 47 -5.503 9.498 -9.443 357 HG3 ARG 47 2HG ARG 47 -5.328 11.203 -9.024 358 HD2 ARG 47 1HD ARG 47 -2.763 10.563 -9.015 359 HD3 ARG 47 2HD ARG 47 -3.322 9.286 -10.094 360 HE ARG 47 HE ARG 47 -4.410 11.658 -11.026 361 HH11 ARG 47 2HH1 ARG 47 -1.249 10.277 -10.554 362 HH12 ARG 47 1HH1 ARG 47 -0.526 11.158 -11.859 363 HH21 ARG 47 1HH2 ARG 47 -1.789 12.608 -13.104 364 HH22 ARG 47 2HH2 ARG 47 -3.469 12.824 -12.746 365 H VAL 48 H VAL 48 -4.729 6.168 -6.052 366 HA VAL 48 HA VAL 48 -4.913 7.046 -3.402 367 HB VAL 48 HB VAL 48 -3.995 4.360 -4.437 368 HG11 VAL 48 1HG1 VAL 48 -5.076 3.804 -2.054 369 HG12 VAL 48 2HG1 VAL 48 -3.358 4.142 -2.272 370 HG13 VAL 48 3HG1 VAL 48 -4.444 5.413 -1.710 371 HG21 VAL 48 3HG2 VAL 48 -6.196 3.682 -4.467 372 HG22 VAL 48 1HG2 VAL 48 -6.704 4.920 -3.318 373 HG23 VAL 48 2HG2 VAL 48 -6.349 5.360 -4.989 374 H ASN 49 H ASN 49 -3.356 8.336 -2.587 375 HA ASN 49 HA ASN 49 -0.548 7.638 -2.974 376 HB2 ASN 49 1HB ASN 49 -0.035 9.817 -2.098 377 HB3 ASN 49 2HB ASN 49 -1.348 10.000 -3.258 378 HD21 ASN 49 2HD2 ASN 49 -2.495 12.076 -0.602 379 HD22 ASN 49 1HD2 ASN 49 -1.453 12.065 -1.980 380 H GLY 50 H GLY 50 0.918 7.764 -1.069 381 HA2 GLY 50 1HA GLY 50 0.496 5.856 0.799 382 HA3 GLY 50 2HA GLY 50 1.502 7.262 1.113 383 H ARG 51 H ARG 51 0.068 9.307 1.601 384 HA ARG 51 HA ARG 51 -0.950 9.187 4.077 385 HB2 ARG 51 1HB ARG 51 -0.774 11.173 2.332 386 HB3 ARG 51 2HB ARG 51 -2.497 10.866 2.156 387 HG2 ARG 51 1HG ARG 51 -1.192 11.351 4.818 388 HG3 ARG 51 2HG ARG 51 -1.846 12.646 3.813 389 HD2 ARG 51 1HD ARG 51 -4.042 11.806 3.985 390 HD3 ARG 51 2HD ARG 51 -3.483 10.259 4.619 391 HE ARG 51 HE ARG 51 -3.320 11.199 6.719 392 HH11 ARG 51 2HH1 ARG 51 -3.903 13.675 4.341 393 HH12 ARG 51 1HH1 ARG 51 -4.236 14.905 5.515 394 HH21 ARG 51 1HH2 ARG 51 -4.151 14.413 7.750 395 HH22 ARG 51 2HH2 ARG 51 -3.757 12.810 8.273 396 H LEU 52 H LEU 52 -2.933 8.761 1.149 397 HA LEU 52 HA LEU 52 -5.319 8.154 2.543 398 HB2 LEU 52 1HB LEU 52 -5.415 8.926 0.278 399 HB3 LEU 52 2HB LEU 52 -4.437 7.569 -0.276 400 HG LEU 52 HG LEU 52 -6.334 6.061 0.408 401 HD11 LEU 52 1HD1 LEU 52 -7.441 7.599 1.948 402 HD12 LEU 52 2HD1 LEU 52 -8.536 7.069 0.671 403 HD13 LEU 52 3HD1 LEU 52 -7.818 8.678 0.605 404 HD21 LEU 52 3HD2 LEU 52 -7.822 7.013 -1.549 405 HD22 LEU 52 1HD2 LEU 52 -6.240 6.299 -1.864 406 HD23 LEU 52 2HD2 LEU 52 -6.419 8.053 -1.801 407 H LEU 53 H LEU 53 -2.737 6.158 1.200 408 HA LEU 53 HA LEU 53 -3.904 3.649 1.470 409 HB2 LEU 53 1HB LEU 53 -1.785 4.073 0.313 410 HB3 LEU 53 2HB LEU 53 -1.010 4.403 1.861 411 HG LEU 53 HG LEU 53 -1.682 1.987 2.465 412 HD11 LEU 53 1HD1 LEU 53 -2.883 0.914 0.934 413 HD12 LEU 53 2HD1 LEU 53 -1.430 0.872 -0.064 414 HD13 LEU 53 3HD1 LEU 53 -2.603 2.173 -0.269 415 HD21 LEU 53 3HD2 LEU 53 0.612 2.662 2.162 416 HD22 LEU 53 1HD2 LEU 53 0.437 2.600 0.408 417 HD23 LEU 53 2HD2 LEU 53 0.352 1.114 1.356 418 H LEU 54 H LEU 54 -2.258 5.655 3.853 419 HA LEU 54 HA LEU 54 -2.215 3.676 5.902 420 HB2 LEU 54 1HB LEU 54 -1.855 6.654 5.867 421 HB3 LEU 54 2HB LEU 54 -1.882 5.751 7.380 422 HG LEU 54 HG LEU 54 0.065 5.192 5.149 423 HD11 LEU 54 1HD1 LEU 54 1.675 6.350 6.779 424 HD12 LEU 54 2HD1 LEU 54 0.227 7.089 7.464 425 HD13 LEU 54 3HD1 LEU 54 0.639 7.361 5.771 426 HD21 LEU 54 3HD2 LEU 54 1.052 4.494 7.688 427 HD22 LEU 54 1HD2 LEU 54 0.568 3.415 6.379 428 HD23 LEU 54 2HD2 LEU 54 -0.603 3.888 7.610 429 H THR 55 H THR 55 -4.276 6.518 5.315 430 HA THR 55 HA THR 55 -5.964 6.273 7.501 431 HB THR 55 HB THR 55 -7.599 7.570 6.267 432 HG1 THR 55 1HG THR 55 -6.058 6.777 4.013 433 HG21 THR 55 3HG2 THR 55 -5.799 9.232 5.149 434 HG22 THR 55 1HG2 THR 55 -4.727 8.258 6.154 435 HG23 THR 55 2HG2 THR 55 -6.074 9.129 6.887 436 H LEU 56 H LEU 56 -6.232 4.771 4.298 437 HA LEU 56 HA LEU 56 -8.683 3.600 4.398 438 HB2 LEU 56 1HB LEU 56 -6.082 2.491 3.377 439 HB3 LEU 56 2HB LEU 56 -7.623 1.670 3.137 440 HG LEU 56 HG LEU 56 -7.114 4.476 2.177 441 HD11 LEU 56 1HD1 LEU 56 -5.702 2.332 1.270 442 HD12 LEU 56 2HD1 LEU 56 -6.087 3.766 0.319 443 HD13 LEU 56 3HD1 LEU 56 -7.097 2.327 0.190 444 HD21 LEU 56 3HD2 LEU 56 -8.966 3.820 0.605 445 HD22 LEU 56 1HD2 LEU 56 -9.430 3.973 2.300 446 HD23 LEU 56 2HD2 LEU 56 -9.190 2.375 1.592 447 H THR 57 H THR 57 -9.616 1.787 5.280 448 HA THR 57 HA THR 57 -8.024 0.303 7.263 449 HB THR 57 HB THR 57 -10.016 0.206 8.731 450 HG1 THR 57 1HG THR 57 -11.594 2.006 8.152 451 HG21 THR 57 3HG2 THR 57 -8.627 2.740 8.055 452 HG22 THR 57 1HG2 THR 57 -8.639 1.825 9.561 453 HG23 THR 57 2HG2 THR 57 -10.016 2.842 9.136 454 H GLU 58 H GLU 58 -9.132 -1.766 7.933 455 HA GLU 58 HA GLU 58 -9.338 -3.589 5.994 456 HB2 GLU 58 1HB GLU 58 -9.475 -4.354 8.227 457 HB3 GLU 58 2HB GLU 58 -10.925 -3.412 8.545 458 HG2 GLU 58 1HG GLU 58 -11.040 -5.512 6.448 459 HG3 GLU 58 2HG GLU 58 -11.024 -6.007 8.140 460 H GLU 59 H GLU 59 -12.062 -1.598 7.097 461 HA GLU 59 HA GLU 59 -14.002 -2.703 5.389 462 HB2 GLU 59 1HB GLU 59 -13.742 -0.200 6.973 463 HB3 GLU 59 2HB GLU 59 -14.962 -0.229 5.708 464 HG2 GLU 59 1HG GLU 59 -16.229 -1.807 6.766 465 HG3 GLU 59 2HG GLU 59 -14.851 -2.500 7.619 466 H GLU 60 H GLU 60 -12.660 0.579 5.056 467 HA GLU 60 HA GLU 60 -13.406 1.239 2.576 468 HB2 GLU 60 1HB GLU 60 -10.596 1.608 3.631 469 HB3 GLU 60 2HB GLU 60 -11.323 2.523 2.318 470 HG2 GLU 60 1HG GLU 60 -12.876 3.558 3.785 471 HG3 GLU 60 2HG GLU 60 -12.438 2.478 5.107 472 H PHE 61 H PHE 61 -10.636 -0.861 3.295 473 HA PHE 61 HA PHE 61 -9.809 -1.273 0.647 474 HB2 PHE 61 1HB PHE 61 -9.448 -2.789 3.207 475 HB3 PHE 61 2HB PHE 61 -8.913 -3.503 1.689 476 HD1 PHE 61 1HD PHE 61 -7.792 -1.329 0.203 477 HD2 PHE 61 2HD PHE 61 -7.610 -2.086 4.387 478 HE1 PHE 61 1HE PHE 61 -5.696 -0.049 0.340 479 HE2 PHE 61 2HE PHE 61 -5.513 -0.807 4.531 480 HZ PHE 61 HZ PHE 61 -4.554 0.215 2.506 481 H SER 62 H SER 62 -12.110 -3.037 2.674 482 HA SER 62 HA SER 62 -12.660 -4.994 0.636 483 HB2 SER 62 1HB SER 62 -12.857 -5.683 2.941 484 HB3 SER 62 2HB SER 62 -14.004 -4.387 3.279 485 HG SER 62 HG SER 62 -15.490 -5.406 1.926 486 H ARG 63 H ARG 63 -13.499 -1.821 0.995 487 HA ARG 63 HA ARG 63 -16.173 -2.133 -0.162 488 HB2 ARG 63 1HB ARG 63 -14.749 0.325 0.877 489 HB3 ARG 63 2HB ARG 63 -16.387 0.302 0.237 490 HG2 ARG 63 1HG ARG 63 -15.456 -1.231 2.655 491 HG3 ARG 63 2HG ARG 63 -16.318 0.308 2.693 492 HD2 ARG 63 1HD ARG 63 -17.336 -2.298 1.567 493 HD3 ARG 63 2HD ARG 63 -17.857 -1.528 3.066 494 HE ARG 63 HE ARG 63 -18.216 0.215 0.860 495 HH11 ARG 63 2HH1 ARG 63 -19.564 -2.606 2.390 496 HH12 ARG 63 1HH1 ARG 63 -21.170 -2.313 1.810 497 HH21 ARG 63 1HH2 ARG 63 -21.602 -0.483 0.502 498 HH22 ARG 63 2HH2 ARG 63 -20.326 0.612 0.091 499 H ALA 64 H ALA 64 -16.755 -1.162 -2.121 500 HA ALA 64 HA ALA 64 -14.909 -1.316 -4.199 501 HB1 ALA 64 3HB ALA 64 -16.644 -0.056 -5.522 502 HB2 ALA 64 1HB ALA 64 -17.214 -1.515 -4.711 503 HB3 ALA 64 2HB ALA 64 -17.574 0.071 -4.029 504 HA PRO 65 HA PRO 65 -14.847 -0.293 -6.344 505 HB2 PRO 65 2HB PRO 65 -13.826 1.230 -7.728 506 HB3 PRO 65 1HB PRO 65 -12.445 0.144 -7.530 507 HG2 PRO 65 1HG PRO 65 -11.459 1.488 -5.913 508 HG3 PRO 65 2HG PRO 65 -12.248 2.727 -6.906 509 HD2 PRO 65 1HD PRO 65 -12.692 2.491 -4.246 510 HD3 PRO 65 2HD PRO 65 -13.940 3.055 -5.376 511 H TYR 66 H TYR 66 -11.843 -0.031 -4.464 512 HA TYR 66 HA TYR 66 -10.495 -2.282 -5.003 513 HB2 TYR 66 1HB TYR 66 -11.041 -1.762 -2.107 514 HB3 TYR 66 2HB TYR 66 -9.521 -2.153 -2.904 515 HD1 TYR 66 1HD TYR 66 -9.542 -0.090 -5.066 516 HD2 TYR 66 2HD TYR 66 -10.508 0.196 -0.932 517 HE1 TYR 66 1HE TYR 66 -8.943 2.295 -5.097 518 HE2 TYR 66 2HE TYR 66 -9.913 2.582 -0.952 519 HH TYR 66 HH TYR 66 -8.625 4.147 -2.214 520 H THR 67 H THR 67 -13.394 -2.150 -2.964 521 HA THR 67 HA THR 67 -14.602 -3.857 -1.979 522 HB THR 67 HB THR 67 -15.484 -3.574 -4.319 523 HG1 THR 67 1HG THR 67 -15.770 -6.278 -3.574 524 HG21 THR 67 3HG2 THR 67 -15.013 -5.272 -5.969 525 HG22 THR 67 1HG2 THR 67 -13.944 -6.117 -4.849 526 HG23 THR 67 2HG2 THR 67 -13.496 -4.526 -5.466 527 H ILE 68 H ILE 68 -11.714 -4.305 -1.851 528 HA ILE 68 HA ILE 68 -10.730 -6.732 -2.517 529 HB ILE 68 HB ILE 68 -10.475 -5.331 0.141 530 HG12 ILE 68 1HG1 ILE 68 -8.542 -5.556 -2.174 531 HG13 ILE 68 2HG1 ILE 68 -9.613 -4.184 -1.909 532 HG21 ILE 68 1HG2 ILE 68 -9.986 -7.641 0.541 533 HG22 ILE 68 2HG2 ILE 68 -8.981 -7.729 -0.904 534 HG23 ILE 68 3HG2 ILE 68 -8.461 -6.759 0.474 535 HD11 ILE 68 3HD1 ILE 68 -8.229 -3.284 -0.431 536 HD12 ILE 68 1HD1 ILE 68 -8.048 -4.805 0.443 537 HD13 ILE 68 2HD1 ILE 68 -7.040 -4.472 -0.965 538 H GLU 69 H GLU 69 -11.797 -8.608 -2.546 539 HA GLU 69 HA GLU 69 -13.498 -9.324 -0.268 540 HB2 GLU 69 1HB GLU 69 -13.254 -10.706 -2.945 541 HB3 GLU 69 2HB GLU 69 -14.463 -11.017 -1.708 542 HG2 GLU 69 1HG GLU 69 -15.042 -8.498 -2.039 543 HG3 GLU 69 2HG GLU 69 -14.222 -8.717 -3.585 544 H ASN 70 H ASN 70 -10.517 -10.108 -1.814 545 HA ASN 70 HA ASN 70 -10.247 -12.718 -0.638 546 HB2 ASN 70 1HB ASN 70 -8.580 -10.948 -2.348 547 HB3 ASN 70 2HB ASN 70 -7.732 -12.144 -1.371 548 HD21 ASN 70 2HD2 ASN 70 -8.232 -13.977 -4.379 549 HD22 ASN 70 1HD2 ASN 70 -7.182 -12.827 -3.630 550 H SER 71 H SER 71 -10.590 -12.269 1.586 551 HA SER 71 HA SER 71 -9.567 -10.483 3.275 552 HB2 SER 71 1HB SER 71 -10.843 -12.273 4.188 553 HB3 SER 71 2HB SER 71 -9.676 -13.478 3.645 554 HG SER 71 HG SER 71 -9.746 -12.183 5.964 555 H SER 72 H SER 72 -7.721 -13.396 2.359 556 HA SER 72 HA SER 72 -5.382 -13.104 3.601 557 HB2 SER 72 1HB SER 72 -5.831 -13.760 0.690 558 HB3 SER 72 2HB SER 72 -4.243 -13.876 1.448 559 HG SER 72 HG SER 72 -5.643 -15.174 3.085 560 H HIS 73 H HIS 73 -6.301 -11.225 0.734 561 HA HIS 73 HA HIS 73 -3.934 -9.770 0.447 562 HB2 HIS 73 1HB HIS 73 -6.790 -9.079 -0.248 563 HB3 HIS 73 2HB HIS 73 -5.424 -8.058 -0.687 564 HD1 HIS 73 1HD HIS 73 -7.299 -9.473 -2.769 565 HD2 HIS 73 2HD HIS 73 -3.592 -10.871 -1.520 566 HE1 HIS 73 1HE HIS 73 -6.488 -10.971 -4.619 567 HE2 HIS 73 2HE HIS 73 -4.282 -11.872 -3.803 568 H ARG 74 H ARG 74 -6.949 -8.773 2.074 569 HA ARG 74 HA ARG 74 -6.160 -6.334 3.049 570 HB2 ARG 74 1HB ARG 74 -8.076 -8.409 3.986 571 HB3 ARG 74 2HB ARG 74 -7.677 -7.110 5.103 572 HG2 ARG 74 1HG ARG 74 -8.235 -5.557 3.106 573 HG3 ARG 74 2HG ARG 74 -9.072 -6.973 2.468 574 HD2 ARG 74 1HD ARG 74 -9.589 -5.533 5.061 575 HD3 ARG 74 2HD ARG 74 -10.667 -5.677 3.673 576 HE ARG 74 HE ARG 74 -11.163 -7.870 4.305 577 HH11 ARG 74 2HH1 ARG 74 -8.817 -6.412 6.425 578 HH12 ARG 74 1HH1 ARG 74 -8.996 -7.613 7.662 579 HH21 ARG 74 1HH2 ARG 74 -10.469 -9.344 7.377 580 HH22 ARG 74 2HH2 ARG 74 -11.407 -9.456 5.926 581 H ARG 75 H ARG 75 -5.635 -9.513 4.536 582 HA ARG 75 HA ARG 75 -4.417 -8.622 6.894 583 HB2 ARG 75 1HB ARG 75 -5.223 -10.939 6.494 584 HB3 ARG 75 2HB ARG 75 -3.867 -11.194 5.404 585 HG2 ARG 75 1HG ARG 75 -3.281 -10.278 8.166 586 HG3 ARG 75 2HG ARG 75 -3.790 -11.951 7.928 587 HD2 ARG 75 1HD ARG 75 -1.940 -12.455 6.610 588 HD3 ARG 75 2HD ARG 75 -1.622 -10.761 6.242 589 HE ARG 75 HE ARG 75 -0.361 -10.631 8.142 590 HH11 ARG 75 2HH1 ARG 75 -2.392 -13.452 8.328 591 HH12 ARG 75 1HH1 ARG 75 -1.655 -14.047 9.779 592 HH21 ARG 75 1HH2 ARG 75 0.055 -12.880 10.760 593 HH22 ARG 75 2HH2 ARG 75 0.617 -11.403 10.053 594 H VAL 76 H VAL 76 -3.015 -9.499 3.757 595 HA VAL 76 HA VAL 76 -0.315 -9.176 4.485 596 HB VAL 76 HB VAL 76 -1.551 -8.796 1.754 597 HG11 VAL 76 1HG1 VAL 76 0.866 -9.709 1.198 598 HG12 VAL 76 2HG1 VAL 76 0.564 -7.987 1.442 599 HG13 VAL 76 3HG1 VAL 76 1.247 -8.958 2.747 600 HG21 VAL 76 3HG2 VAL 76 -1.486 -11.055 1.414 601 HG22 VAL 76 1HG2 VAL 76 -0.177 -11.303 2.570 602 HG23 VAL 76 2HG2 VAL 76 -1.822 -11.031 3.145 603 H ILE 77 H ILE 77 -2.515 -6.946 2.783 604 HA ILE 77 HA ILE 77 -0.749 -4.796 2.573 605 HB ILE 77 HB ILE 77 -3.751 -4.914 2.691 606 HG12 ILE 77 1HG1 ILE 77 -1.933 -4.067 0.436 607 HG13 ILE 77 2HG1 ILE 77 -2.409 -5.742 0.691 608 HG21 ILE 77 1HG2 ILE 77 -3.210 -2.437 1.686 609 HG22 ILE 77 2HG2 ILE 77 -3.728 -2.771 3.338 610 HG23 ILE 77 3HG2 ILE 77 -2.013 -2.579 2.973 611 HD11 ILE 77 3HD1 ILE 77 -3.716 -4.104 -0.936 612 HD12 ILE 77 1HD1 ILE 77 -4.519 -5.393 -0.039 613 HD13 ILE 77 2HD1 ILE 77 -4.573 -3.734 0.560 614 H LEU 78 H LEU 78 -3.357 -5.223 4.974 615 HA LEU 78 HA LEU 78 -2.746 -3.044 6.575 616 HB2 LEU 78 1HB LEU 78 -4.030 -5.689 7.153 617 HB3 LEU 78 2HB LEU 78 -3.785 -4.500 8.431 618 HG LEU 78 HG LEU 78 -5.316 -3.881 5.915 619 HD11 LEU 78 1HD1 LEU 78 -7.321 -4.177 7.501 620 HD12 LEU 78 2HD1 LEU 78 -6.229 -5.180 8.454 621 HD13 LEU 78 3HD1 LEU 78 -6.594 -5.616 6.785 622 HD21 LEU 78 3HD2 LEU 78 -4.525 -2.427 8.292 623 HD22 LEU 78 1HD2 LEU 78 -6.274 -2.415 8.063 624 HD23 LEU 78 2HD2 LEU 78 -5.214 -1.832 6.780 625 H THR 79 H THR 79 -1.783 -6.434 7.133 626 HA THR 79 HA THR 79 -0.164 -6.054 9.334 627 HB THR 79 HB THR 79 0.203 -8.036 7.080 628 HG1 THR 79 1HG THR 79 -1.498 -8.878 8.006 629 HG21 THR 79 3HG2 THR 79 1.885 -7.453 9.332 630 HG22 THR 79 1HG2 THR 79 2.108 -8.652 8.058 631 HG23 THR 79 2HG2 THR 79 1.191 -9.065 9.507 632 H GLU 80 H GLU 80 0.883 -6.125 5.923 633 HA GLU 80 HA GLU 80 3.565 -5.518 6.356 634 HB2 GLU 80 1HB GLU 80 1.722 -5.062 4.026 635 HB3 GLU 80 2HB GLU 80 3.393 -4.519 3.974 636 HG2 GLU 80 1HG GLU 80 2.815 -7.340 4.724 637 HG3 GLU 80 2HG GLU 80 2.707 -6.857 3.032 638 H LEU 81 H LEU 81 0.806 -3.355 5.845 639 HA LEU 81 HA LEU 81 2.215 -0.940 5.754 640 HB2 LEU 81 1HB LEU 81 -0.323 -1.555 5.377 641 HB3 LEU 81 2HB LEU 81 -0.457 -1.054 7.061 642 HG LEU 81 HG LEU 81 0.526 1.147 6.407 643 HD11 LEU 81 1HD1 LEU 81 1.699 0.659 4.421 644 HD12 LEU 81 2HD1 LEU 81 0.343 1.677 3.940 645 HD13 LEU 81 3HD1 LEU 81 0.278 -0.064 3.666 646 HD21 LEU 81 3HD2 LEU 81 -2.090 0.134 5.996 647 HD22 LEU 81 1HD2 LEU 81 -1.735 1.266 4.690 648 HD23 LEU 81 2HD2 LEU 81 -1.597 1.786 6.370 649 H GLU 82 H GLU 82 0.886 -2.738 8.499 650 HA GLU 82 HA GLU 82 1.344 -0.876 10.511 651 HB2 GLU 82 1HB GLU 82 0.075 -2.988 10.793 652 HB3 GLU 82 2HB GLU 82 1.588 -3.881 10.728 653 HG2 GLU 82 1HG GLU 82 0.972 -3.674 13.007 654 HG3 GLU 82 2HG GLU 82 2.344 -2.604 12.730 655 H ARG 83 H ARG 83 3.580 -2.750 8.695 656 HA ARG 83 HA ARG 83 5.730 -2.470 10.621 657 HB2 ARG 83 1HB ARG 83 5.838 -3.493 7.779 658 HB3 ARG 83 2HB ARG 83 7.084 -3.676 9.007 659 HG2 ARG 83 1HG ARG 83 5.330 -4.942 10.357 660 HG3 ARG 83 2HG ARG 83 4.398 -4.999 8.859 661 HD2 ARG 83 1HD ARG 83 5.872 -6.416 7.835 662 HD3 ARG 83 2HD ARG 83 7.249 -5.829 8.766 663 HE ARG 83 HE ARG 83 5.576 -8.036 9.409 664 HH11 ARG 83 2HH1 ARG 83 7.420 -5.443 10.823 665 HH12 ARG 83 1HH1 ARG 83 7.693 -6.278 12.316 666 HH21 ARG 83 1HH2 ARG 83 6.845 -8.383 12.627 667 HH22 ARG 83 2HH2 ARG 83 5.929 -9.144 11.371 668 H VAL 84 H VAL 84 5.477 -1.609 7.167 669 HA VAL 84 HA VAL 84 7.577 0.134 6.996 670 HB VAL 84 HB VAL 84 6.332 1.288 5.171 671 HG11 VAL 84 1HG1 VAL 84 7.477 -1.108 5.129 672 HG12 VAL 84 2HG1 VAL 84 5.831 -1.602 4.728 673 HG13 VAL 84 3HG1 VAL 84 6.673 -0.428 3.715 674 HG21 VAL 84 3HG2 VAL 84 4.102 -0.589 5.196 675 HG22 VAL 84 1HG2 VAL 84 4.090 0.526 6.563 676 HG23 VAL 84 2HG2 VAL 84 4.114 1.152 4.914 677 H ARG 85 H ARG 85 4.439 0.699 8.423 678 HA ARG 85 HA ARG 85 4.785 3.546 8.645 679 HB2 ARG 85 1HB ARG 85 2.675 3.585 9.675 680 HB3 ARG 85 2HB ARG 85 2.566 2.274 8.507 681 HG2 ARG 85 1HG ARG 85 2.804 0.631 10.217 682 HG3 ARG 85 2HG ARG 85 3.190 1.863 11.420 683 HD2 ARG 85 1HD ARG 85 0.575 1.803 9.935 684 HD3 ARG 85 2HD ARG 85 0.826 0.940 11.452 685 HE ARG 85 HE ARG 85 0.454 3.761 11.110 686 HH11 ARG 85 2HH1 ARG 85 1.864 1.305 13.135 687 HH12 ARG 85 1HH1 ARG 85 1.840 2.285 14.564 688 HH21 ARG 85 1HH2 ARG 85 1.016 4.420 14.477 689 HH22 ARG 85 2HH2 ARG 85 0.417 5.061 12.985 690 H SER 86 H SER 86 5.128 0.749 10.770 691 HA SER 86 HA SER 86 5.756 2.338 13.081 692 HB2 SER 86 1HB SER 86 5.557 -0.563 12.459 693 HB3 SER 86 2HB SER 86 6.586 -0.104 13.816 694 HG SER 86 HG SER 86 4.754 -0.077 14.856 695 H GLY 87 H GLY 87 7.714 2.909 13.861 696 HA2 GLY 87 1HA GLY 87 10.093 2.442 14.106 697 HA3 GLY 87 2HA GLY 87 10.093 1.896 12.436 698 HA PRO 88 HA PRO 88 9.692 6.714 12.258 699 HB2 PRO 88 2HB PRO 88 8.425 7.498 14.008 700 HB3 PRO 88 1HB PRO 88 9.997 8.046 14.604 701 HG2 PRO 88 1HG PRO 88 10.223 6.239 16.044 702 HG3 PRO 88 2HG PRO 88 8.462 6.446 16.081 703 HD2 PRO 88 1HD PRO 88 9.641 4.101 15.415 704 HD3 PRO 88 2HD PRO 88 8.094 4.624 14.718 705 H SER 89 H SER 89 11.820 5.560 14.865 706 HA SER 89 HA SER 89 14.043 7.015 13.591 707 HB2 SER 89 1HB SER 89 15.145 6.850 15.858 708 HB3 SER 89 2HB SER 89 13.705 7.867 15.807 709 HG SER 89 HG SER 89 13.210 6.638 17.470 710 H SER 90 H SER 90 15.907 5.945 13.095 711 HA SER 90 HA SER 90 15.863 3.023 13.472 712 HB2 SER 90 1HB SER 90 17.194 2.864 11.408 713 HB3 SER 90 2HB SER 90 15.668 3.697 11.115 714 HG SER 90 HG SER 90 17.878 5.253 11.796 715 H GLY 91 H GLY 91 17.657 1.993 14.250 716 HA2 GLY 91 1HA GLY 91 19.930 3.724 15.007 717 HA3 GLY 91 2HA GLY 91 19.277 2.501 16.088 Start of MODEL 11 1 H1 GLY 1 H GLY 1 9.848 -3.444 -22.969 2 HA2 GLY 1 1HA GLY 1 11.647 -1.770 -21.482 3 HA3 GLY 1 2HA GLY 1 11.194 -1.576 -23.169 4 H SER 2 H SER 2 11.214 0.034 -20.409 5 HA SER 2 HA SER 2 9.138 1.839 -21.243 6 HB2 SER 2 1HB SER 2 7.958 0.036 -19.876 7 HB3 SER 2 2HB SER 2 8.849 0.648 -18.483 8 HG SER 2 HG SER 2 7.522 2.541 -20.012 9 H SER 3 H SER 3 9.363 3.887 -20.366 10 HA SER 3 HA SER 3 11.936 4.594 -19.456 11 HB2 SER 3 1HB SER 3 10.178 6.032 -20.703 12 HB3 SER 3 2HB SER 3 9.525 6.360 -19.097 13 HG SER 3 HG SER 3 10.989 7.881 -19.122 14 H GLY 4 H GLY 4 12.535 3.643 -17.557 15 HA2 GLY 4 1HA GLY 4 11.181 4.647 -15.159 16 HA3 GLY 4 2HA GLY 4 11.373 2.909 -15.328 17 H SER 5 H SER 5 13.158 2.021 -14.522 18 HA SER 5 HA SER 5 15.168 1.818 -13.473 19 HB2 SER 5 1HB SER 5 15.767 2.649 -15.894 20 HB3 SER 5 2HB SER 5 16.243 4.126 -15.056 21 HG SER 5 HG SER 5 17.497 2.618 -13.659 22 H SER 6 H SER 6 13.317 3.359 -12.101 23 HA SER 6 HA SER 6 15.105 5.090 -10.573 24 HB2 SER 6 1HB SER 6 13.853 6.537 -12.192 25 HB3 SER 6 2HB SER 6 12.352 6.009 -11.430 26 HG SER 6 HG SER 6 13.136 6.901 -9.469 27 H GLY 7 H GLY 7 14.919 4.720 -8.458 28 HA2 GLY 7 1HA GLY 7 13.546 4.521 -6.479 29 HA3 GLY 7 2HA GLY 7 12.373 3.635 -7.442 30 H GLU 8 H GLU 8 13.898 3.002 -4.916 31 HA GLU 8 HA GLU 8 15.018 0.431 -5.823 32 HB2 GLU 8 1HB GLU 8 15.912 2.189 -3.536 33 HB3 GLU 8 2HB GLU 8 16.447 0.529 -3.751 34 HG2 GLU 8 1HG GLU 8 18.134 1.949 -4.621 35 HG3 GLU 8 2HG GLU 8 17.331 1.178 -5.988 36 H HIS 9 H HIS 9 15.123 -1.131 -3.819 37 HA HIS 9 HA HIS 9 12.492 -1.024 -2.493 38 HB2 HIS 9 1HB HIS 9 12.373 -3.429 -2.619 39 HB3 HIS 9 2HB HIS 9 12.709 -2.805 -4.231 40 HD1 HIS 9 1HD HIS 9 15.456 -2.805 -4.769 41 HD2 HIS 9 2HD HIS 9 13.989 -5.483 -1.952 42 HE1 HIS 9 1HE HIS 9 17.210 -4.595 -4.566 43 HE2 HIS 9 2HE HIS 9 16.262 -6.248 -2.919 44 H GLY 10 H GLY 10 12.925 -0.328 -0.477 45 HA2 GLY 10 1HA GLY 10 13.742 -1.792 1.587 46 HA3 GLY 10 2HA GLY 10 15.292 -1.292 0.926 47 H LEU 11 H LEU 11 14.459 1.319 0.090 48 HA LEU 11 HA LEU 11 14.796 2.695 2.575 49 HB2 LEU 11 1HB LEU 11 15.079 4.632 1.312 50 HB3 LEU 11 2HB LEU 11 15.726 3.346 0.294 51 HG LEU 11 HG LEU 11 14.530 4.775 -1.145 52 HD11 LEU 11 1HD1 LEU 11 12.836 2.391 -0.425 53 HD12 LEU 11 2HD1 LEU 11 14.097 2.483 -1.654 54 HD13 LEU 11 3HD1 LEU 11 12.593 3.379 -1.866 55 HD21 LEU 11 3HD2 LEU 11 13.160 5.609 1.012 56 HD22 LEU 11 1HD2 LEU 11 11.935 4.596 0.247 57 HD23 LEU 11 2HD2 LEU 11 12.657 5.933 -0.648 58 H LEU 12 H LEU 12 12.122 1.409 1.125 59 HA LEU 12 HA LEU 12 10.153 3.371 1.361 60 HB2 LEU 12 1HB LEU 12 10.109 0.382 1.515 61 HB3 LEU 12 2HB LEU 12 8.640 1.316 1.793 62 HG LEU 12 HG LEU 12 10.245 1.641 -0.723 63 HD11 LEU 12 1HD1 LEU 12 9.784 -0.711 -0.610 64 HD12 LEU 12 2HD1 LEU 12 8.679 0.028 -1.768 65 HD13 LEU 12 3HD1 LEU 12 8.107 -0.405 -0.157 66 HD21 LEU 12 3HD2 LEU 12 8.330 2.640 -1.585 67 HD22 LEU 12 1HD2 LEU 12 8.384 3.235 0.074 68 HD23 LEU 12 2HD2 LEU 12 7.284 1.925 -0.358 69 H VAL 13 H VAL 13 11.336 1.027 3.745 70 HA VAL 13 HA VAL 13 9.543 1.832 5.804 71 HB VAL 13 HB VAL 13 11.184 0.624 7.316 72 HG11 VAL 13 1HG1 VAL 13 10.138 -1.328 6.866 73 HG12 VAL 13 2HG1 VAL 13 9.192 -0.312 5.777 74 HG13 VAL 13 3HG1 VAL 13 10.533 -1.271 5.148 75 HG21 VAL 13 3HG2 VAL 13 13.081 1.059 5.607 76 HG22 VAL 13 1HG2 VAL 13 13.033 -0.485 6.458 77 HG23 VAL 13 2HG2 VAL 13 12.455 -0.377 4.796 78 H HIS 14 H HIS 14 12.397 3.188 4.534 79 HA HIS 14 HA HIS 14 13.197 4.559 6.946 80 HB2 HIS 14 1HB HIS 14 14.120 4.679 4.079 81 HB3 HIS 14 2HB HIS 14 14.734 5.786 5.303 82 HD1 HIS 14 1HD HIS 14 16.552 3.732 3.837 83 HD2 HIS 14 2HD HIS 14 14.800 3.127 7.555 84 HE1 HIS 14 1HE HIS 14 17.975 2.001 4.977 85 HE2 HIS 14 2HE HIS 14 16.847 1.589 7.191 86 H LYS 15 H LYS 15 11.479 5.337 3.964 87 HA LYS 15 HA LYS 15 11.051 8.080 4.876 88 HB2 LYS 15 1HB LYS 15 11.690 7.891 2.572 89 HB3 LYS 15 2HB LYS 15 10.450 6.682 2.269 90 HG2 LYS 15 1HG LYS 15 8.857 8.636 3.059 91 HG3 LYS 15 2HG LYS 15 10.213 9.628 2.517 92 HD2 LYS 15 1HD LYS 15 10.134 8.532 0.327 93 HD3 LYS 15 2HD LYS 15 8.777 7.543 0.872 94 HE2 LYS 15 1HE LYS 15 7.682 9.232 -0.242 95 HE3 LYS 15 2HE LYS 15 7.686 9.856 1.406 96 HZ1 LYS 15 3HZ LYS 15 10.028 10.762 0.348 97 HZ2 LYS 15 1HZ LYS 15 8.611 11.666 0.539 98 HZ3 LYS 15 2HZ LYS 15 8.940 10.911 -0.938 99 H ALA 16 H ALA 16 9.231 8.714 5.831 100 HA ALA 16 HA ALA 16 7.282 7.109 6.828 101 HB1 ALA 16 3HB ALA 16 5.817 9.330 6.467 102 HB2 ALA 16 1HB ALA 16 7.053 9.172 7.715 103 HB3 ALA 16 2HB ALA 16 7.431 9.987 6.196 104 H VAL 17 H VAL 17 5.360 6.244 6.185 105 HA VAL 17 HA VAL 17 4.971 5.795 3.399 106 HB VAL 17 HB VAL 17 3.243 5.126 5.781 107 HG11 VAL 17 1HG1 VAL 17 2.564 3.464 3.640 108 HG12 VAL 17 2HG1 VAL 17 1.575 4.734 4.364 109 HG13 VAL 17 3HG1 VAL 17 2.600 5.096 2.975 110 HG21 VAL 17 3HG2 VAL 17 4.410 3.225 5.960 111 HG22 VAL 17 1HG2 VAL 17 4.428 2.969 4.215 112 HG23 VAL 17 2HG2 VAL 17 5.623 4.029 4.964 113 H ASP 18 H ASP 18 3.544 7.942 5.769 114 HA ASP 18 HA ASP 18 1.316 8.737 4.188 115 HB2 ASP 18 1HB ASP 18 0.798 10.188 5.906 116 HB3 ASP 18 2HB ASP 18 1.793 9.015 6.764 117 H LYS 19 H LYS 19 4.497 9.149 3.609 118 HA LYS 19 HA LYS 19 4.113 11.773 2.326 119 HB2 LYS 19 1HB LYS 19 6.443 10.510 3.674 120 HB3 LYS 19 2HB LYS 19 6.777 11.519 2.273 121 HG2 LYS 19 1HG LYS 19 6.964 12.951 4.109 122 HG3 LYS 19 2HG LYS 19 5.376 13.304 3.422 123 HD2 LYS 19 1HD LYS 19 4.263 12.117 5.132 124 HD3 LYS 19 2HD LYS 19 5.755 11.345 5.673 125 HE2 LYS 19 1HE LYS 19 5.120 13.091 7.223 126 HE3 LYS 19 2HE LYS 19 6.606 13.541 6.388 127 HZ1 LYS 19 3HZ LYS 19 5.618 15.274 5.393 128 HZ2 LYS 19 1HZ LYS 19 4.477 15.140 6.636 129 HZ3 LYS 19 2HZ LYS 19 4.165 14.449 5.124 130 H TRP 20 H TRP 20 4.203 8.541 1.692 131 HA TRP 20 HA TRP 20 5.820 8.372 -0.610 132 HB2 TRP 20 1HB TRP 20 3.409 6.754 0.233 133 HB3 TRP 20 2HB TRP 20 4.445 6.343 -1.131 134 HD1 TRP 20 HD TRP 20 6.654 7.646 1.460 135 HE1 TRP 20 1HE TRP 20 7.749 5.740 2.799 136 HE3 TRP 20 3HE TRP 20 3.669 3.778 -0.044 137 HZ2 TRP 20 2HZ TRP 20 7.394 2.964 3.169 138 HZ3 TRP 20 3HZ TRP 20 4.114 1.528 0.849 139 HH2 TRP 20 HH TRP 20 5.938 1.132 2.421 140 H THR 21 H THR 21 4.770 7.739 -2.801 141 HA THR 21 HA THR 21 2.641 9.679 -3.428 142 HB THR 21 HB THR 21 3.734 9.894 -5.700 143 HG1 THR 21 1HG THR 21 5.319 8.518 -5.992 144 HG21 THR 21 3HG2 THR 21 5.465 11.481 -4.903 145 HG22 THR 21 1HG2 THR 21 5.252 10.851 -3.270 146 HG23 THR 21 2HG2 THR 21 3.920 11.679 -4.077 147 H THR 22 H THR 22 1.305 9.153 -5.258 148 HA THR 22 HA THR 22 0.125 6.733 -5.283 149 HB THR 22 HB THR 22 0.546 8.181 -7.891 150 HG1 THR 22 1HG THR 22 -0.031 9.809 -6.509 151 HG21 THR 22 3HG2 THR 22 -2.010 7.000 -6.867 152 HG22 THR 22 1HG2 THR 22 -0.784 5.968 -7.602 153 HG23 THR 22 2HG2 THR 22 -1.501 7.284 -8.531 154 H GLU 23 H GLU 23 3.186 7.507 -6.727 155 HA GLU 23 HA GLU 23 3.336 5.127 -8.334 156 HB2 GLU 23 1HB GLU 23 4.569 7.437 -8.607 157 HB3 GLU 23 2HB GLU 23 5.754 6.697 -7.538 158 HG2 GLU 23 1HG GLU 23 6.127 4.910 -9.093 159 HG3 GLU 23 2HG GLU 23 4.821 5.486 -10.129 160 H GLU 24 H GLU 24 4.964 6.249 -5.370 161 HA GLU 24 HA GLU 24 6.367 3.856 -4.886 162 HB2 GLU 24 1HB GLU 24 5.460 5.950 -2.902 163 HB3 GLU 24 2HB GLU 24 6.687 4.725 -2.610 164 HG2 GLU 24 1HG GLU 24 8.024 5.708 -4.457 165 HG3 GLU 24 2HG GLU 24 6.829 6.999 -4.574 166 H VAL 25 H VAL 25 3.196 4.997 -3.828 167 HA VAL 25 HA VAL 25 2.541 3.119 -1.931 168 HB VAL 25 HB VAL 25 0.759 4.346 -4.036 169 HG11 VAL 25 1HG1 VAL 25 0.166 2.486 -1.790 170 HG12 VAL 25 2HG1 VAL 25 -0.985 3.776 -2.143 171 HG13 VAL 25 3HG1 VAL 25 -0.569 2.599 -3.389 172 HG21 VAL 25 3HG2 VAL 25 0.793 6.177 -2.776 173 HG22 VAL 25 1HG2 VAL 25 0.323 5.249 -1.352 174 HG23 VAL 25 2HG2 VAL 25 2.028 5.424 -1.768 175 H VAL 26 H VAL 26 2.058 2.849 -5.449 176 HA VAL 26 HA VAL 26 1.037 0.203 -5.352 177 HB VAL 26 HB VAL 26 2.290 1.705 -7.654 178 HG11 VAL 26 1HG1 VAL 26 1.003 0.045 -9.039 179 HG12 VAL 26 2HG1 VAL 26 2.396 -0.611 -8.177 180 HG13 VAL 26 3HG1 VAL 26 0.766 -0.890 -7.563 181 HG21 VAL 26 3HG2 VAL 26 0.347 2.762 -7.921 182 HG22 VAL 26 1HG2 VAL 26 -0.567 1.261 -7.761 183 HG23 VAL 26 2HG2 VAL 26 -0.103 2.169 -6.322 184 H LEU 27 H LEU 27 4.254 1.557 -5.639 185 HA LEU 27 HA LEU 27 5.616 -0.735 -6.516 186 HB2 LEU 27 1HB LEU 27 6.356 1.783 -5.138 187 HB3 LEU 27 2HB LEU 27 7.516 0.458 -5.076 188 HG LEU 27 HG LEU 27 6.447 1.796 -7.560 189 HD11 LEU 27 1HD1 LEU 27 8.056 3.265 -7.059 190 HD12 LEU 27 2HD1 LEU 27 9.168 2.000 -7.578 191 HD13 LEU 27 3HD1 LEU 27 8.795 2.197 -5.866 192 HD21 LEU 27 3HD2 LEU 27 8.306 0.359 -8.608 193 HD22 LEU 27 1HD2 LEU 27 6.772 -0.417 -8.211 194 HD23 LEU 27 2HD2 LEU 27 8.166 -0.626 -7.151 195 H TRP 28 H TRP 28 5.146 0.516 -3.213 196 HA TRP 28 HA TRP 28 6.448 -1.543 -1.856 197 HB2 TRP 28 1HB TRP 28 5.946 0.337 -0.559 198 HB3 TRP 28 2HB TRP 28 4.267 0.373 -1.089 199 HD1 TRP 28 HD TRP 28 6.590 -1.499 1.335 200 HE1 TRP 28 1HE TRP 28 5.141 -2.626 3.139 201 HE3 TRP 28 3HE TRP 28 1.964 -0.498 -0.596 202 HZ2 TRP 28 2HZ TRP 28 2.400 -3.037 3.673 203 HZ3 TRP 28 3HZ TRP 28 -0.020 -1.294 0.622 204 HH2 TRP 28 HH TRP 28 0.195 -2.537 2.712 205 H LEU 29 H LEU 29 3.075 -1.266 -2.892 206 HA LEU 29 HA LEU 29 2.259 -3.725 -1.693 207 HB2 LEU 29 1HB LEU 29 0.583 -2.101 -2.057 208 HB3 LEU 29 2HB LEU 29 1.031 -1.913 -3.751 209 HG LEU 29 HG LEU 29 0.228 -4.312 -4.063 210 HD11 LEU 29 1HD1 LEU 29 -0.882 -5.419 -2.434 211 HD12 LEU 29 2HD1 LEU 29 -1.508 -3.943 -1.700 212 HD13 LEU 29 3HD1 LEU 29 0.156 -4.442 -1.394 213 HD21 LEU 29 3HD2 LEU 29 -2.126 -2.745 -3.248 214 HD22 LEU 29 1HD2 LEU 29 -1.731 -3.485 -4.800 215 HD23 LEU 29 2HD2 LEU 29 -1.018 -1.934 -4.357 216 H GLU 30 H GLU 30 3.704 -2.827 -4.713 217 HA GLU 30 HA GLU 30 3.014 -5.244 -6.099 218 HB2 GLU 30 1HB GLU 30 4.731 -2.872 -6.657 219 HB3 GLU 30 2HB GLU 30 5.028 -4.341 -7.576 220 HG2 GLU 30 1HG GLU 30 2.520 -4.304 -8.082 221 HG3 GLU 30 2HG GLU 30 2.567 -2.638 -7.510 222 H GLN 31 H GLN 31 4.784 -4.944 -3.478 223 HA GLN 31 HA GLN 31 6.902 -6.788 -4.359 224 HB2 GLN 31 1HB GLN 31 6.775 -4.765 -2.145 225 HB3 GLN 31 2HB GLN 31 7.900 -6.114 -2.054 226 HG2 GLN 31 1HG GLN 31 8.983 -5.417 -4.081 227 HG3 GLN 31 2HG GLN 31 7.785 -4.148 -4.328 228 HE21 GLN 31 2HE2 GLN 31 9.205 -1.904 -2.047 229 HE22 GLN 31 1HE2 GLN 31 7.788 -2.345 -2.931 230 H LEU 32 H LEU 32 4.246 -6.315 -2.153 231 HA LEU 32 HA LEU 32 4.733 -8.431 -0.378 232 HB2 LEU 32 1HB LEU 32 1.966 -7.664 -1.214 233 HB3 LEU 32 2HB LEU 32 2.555 -8.142 0.377 234 HG LEU 32 HG LEU 32 2.918 -5.485 -0.997 235 HD11 LEU 32 1HD1 LEU 32 1.414 -4.646 0.478 236 HD12 LEU 32 2HD1 LEU 32 1.840 -5.798 1.743 237 HD13 LEU 32 3HD1 LEU 32 0.808 -6.301 0.405 238 HD21 LEU 32 3HD2 LEU 32 3.880 -5.657 1.731 239 HD22 LEU 32 1HD2 LEU 32 4.660 -4.989 0.297 240 HD23 LEU 32 2HD2 LEU 32 4.781 -6.714 0.644 241 H GLY 33 H GLY 33 3.525 -8.382 -3.631 242 HA2 GLY 33 1HA GLY 33 3.912 -11.105 -4.077 243 HA3 GLY 33 2HA GLY 33 2.223 -10.896 -3.638 244 HA PRO 34 HA PRO 34 3.099 -9.980 -8.231 245 HB2 PRO 34 2HB PRO 34 3.808 -12.077 -8.848 246 HB3 PRO 34 1HB PRO 34 2.109 -12.274 -9.293 247 HG2 PRO 34 1HG PRO 34 1.596 -13.412 -7.336 248 HG3 PRO 34 2HG PRO 34 3.269 -13.947 -7.575 249 HD2 PRO 34 1HD PRO 34 2.433 -12.757 -5.291 250 HD3 PRO 34 2HD PRO 34 4.082 -12.563 -5.921 251 H TRP 35 H TRP 35 0.481 -11.213 -6.313 252 HA TRP 35 HA TRP 35 -1.601 -10.741 -8.201 253 HB2 TRP 35 1HB TRP 35 -3.074 -10.880 -6.128 254 HB3 TRP 35 2HB TRP 35 -2.081 -12.293 -6.475 255 HD1 TRP 35 HD TRP 35 -0.693 -13.179 -4.510 256 HE1 TRP 35 1HE TRP 35 0.027 -12.273 -2.211 257 HE3 TRP 35 3HE TRP 35 -2.453 -8.398 -4.935 258 HZ2 TRP 35 2HZ TRP 35 -0.131 -9.852 -0.769 259 HZ3 TRP 35 3HZ TRP 35 -2.129 -6.850 -3.050 260 HH2 TRP 35 HH TRP 35 -0.992 -7.564 -1.011 261 H ALA 36 H ALA 36 0.294 -8.692 -6.287 262 HA ALA 36 HA ALA 36 -1.489 -6.652 -5.599 263 HB1 ALA 36 3HB ALA 36 1.448 -6.819 -6.018 264 HB2 ALA 36 1HB ALA 36 0.709 -5.220 -5.924 265 HB3 ALA 36 2HB ALA 36 0.532 -6.354 -4.584 266 H SER 37 H SER 37 -0.073 -7.510 -8.650 267 HA SER 37 HA SER 37 -0.480 -5.017 -9.960 268 HB2 SER 37 1HB SER 37 0.994 -7.095 -10.632 269 HB3 SER 37 2HB SER 37 -0.473 -7.606 -11.466 270 HG SER 37 HG SER 37 0.078 -6.271 -12.976 271 H LEU 38 H LEU 38 -2.617 -7.379 -8.890 272 HA LEU 38 HA LEU 38 -4.600 -6.963 -10.967 273 HB2 LEU 38 1HB LEU 38 -4.771 -8.491 -8.373 274 HB3 LEU 38 2HB LEU 38 -5.980 -8.500 -9.655 275 HG LEU 38 HG LEU 38 -3.173 -9.422 -10.171 276 HD11 LEU 38 1HD1 LEU 38 -3.893 -10.716 -8.273 277 HD12 LEU 38 2HD1 LEU 38 -3.963 -11.720 -9.721 278 HD13 LEU 38 3HD1 LEU 38 -5.446 -11.048 -9.041 279 HD21 LEU 38 3HD2 LEU 38 -4.915 -10.938 -11.631 280 HD22 LEU 38 1HD2 LEU 38 -4.086 -9.494 -12.213 281 HD23 LEU 38 2HD2 LEU 38 -5.731 -9.374 -11.587 282 H TYR 39 H TYR 39 -3.634 -5.403 -8.158 283 HA TYR 39 HA TYR 39 -6.273 -4.123 -7.869 284 HB2 TYR 39 1HB TYR 39 -4.110 -4.427 -5.775 285 HB3 TYR 39 2HB TYR 39 -5.654 -3.614 -5.545 286 HD1 TYR 39 1HD TYR 39 -4.032 -6.884 -6.064 287 HD2 TYR 39 2HD TYR 39 -7.657 -4.857 -5.141 288 HE1 TYR 39 1HE TYR 39 -5.044 -9.019 -5.380 289 HE2 TYR 39 2HE TYR 39 -8.679 -6.986 -4.452 290 HH TYR 39 HH TYR 39 -8.446 -9.265 -4.579 291 H ARG 40 H ARG 40 -2.858 -3.686 -8.324 292 HA ARG 40 HA ARG 40 -2.276 -1.145 -7.698 293 HB2 ARG 40 1HB ARG 40 -0.695 -1.097 -9.444 294 HB3 ARG 40 2HB ARG 40 -0.881 -2.800 -9.049 295 HG2 ARG 40 1HG ARG 40 -2.490 -2.977 -10.958 296 HG3 ARG 40 2HG ARG 40 -2.040 -1.330 -11.401 297 HD2 ARG 40 1HD ARG 40 0.400 -2.363 -11.221 298 HD3 ARG 40 2HD ARG 40 -0.478 -3.849 -11.582 299 HE ARG 40 HE ARG 40 -0.753 -3.113 -13.727 300 HH11 ARG 40 2HH1 ARG 40 0.111 -0.411 -11.711 301 HH12 ARG 40 1HH1 ARG 40 0.282 0.692 -13.036 302 HH21 ARG 40 1HH2 ARG 40 -0.084 -0.027 -15.181 303 HH22 ARG 40 2HH2 ARG 40 -0.531 -1.672 -15.481 304 H ASP 41 H ASP 41 -4.126 -2.089 -10.581 305 HA ASP 41 HA ASP 41 -4.510 0.331 -11.791 306 HB2 ASP 41 1HB ASP 41 -5.459 -2.089 -12.303 307 HB3 ASP 41 2HB ASP 41 -6.894 -1.446 -11.510 308 H ARG 42 H ARG 42 -6.334 -0.982 -9.049 309 HA ARG 42 HA ARG 42 -8.139 1.188 -8.837 310 HB2 ARG 42 1HB ARG 42 -7.277 -0.625 -6.585 311 HB3 ARG 42 2HB ARG 42 -8.800 0.239 -6.747 312 HG2 ARG 42 1HG ARG 42 -9.069 -1.199 -8.901 313 HG3 ARG 42 2HG ARG 42 -7.872 -2.236 -8.123 314 HD2 ARG 42 1HD ARG 42 -9.298 -2.459 -6.172 315 HD3 ARG 42 2HD ARG 42 -10.473 -1.351 -6.879 316 HE ARG 42 HE ARG 42 -10.122 -4.137 -7.500 317 HH11 ARG 42 2HH1 ARG 42 -11.303 -1.069 -8.646 318 HH12 ARG 42 1HH1 ARG 42 -12.422 -1.771 -9.768 319 HH21 ARG 42 1HH2 ARG 42 -12.585 -4.048 -9.953 320 HH22 ARG 42 2HH2 ARG 42 -11.591 -5.073 -8.974 321 H PHE 43 H PHE 43 -4.901 0.653 -7.698 322 HA PHE 43 HA PHE 43 -4.914 2.726 -5.728 323 HB2 PHE 43 1HB PHE 43 -2.770 1.077 -7.035 324 HB3 PHE 43 2HB PHE 43 -2.347 2.442 -6.007 325 HD1 PHE 43 2HD PHE 43 -3.938 -0.869 -6.097 326 HD2 PHE 43 1HD PHE 43 -2.580 2.331 -3.641 327 HE1 PHE 43 2HE PHE 43 -4.173 -2.300 -4.109 328 HE2 PHE 43 1HE PHE 43 -2.811 0.905 -1.649 329 HZ PHE 43 HZ PHE 43 -3.610 -1.413 -1.881 330 H LEU 44 H LEU 44 -3.741 2.465 -9.064 331 HA LEU 44 HA LEU 44 -2.738 5.131 -9.169 332 HB2 LEU 44 1HB LEU 44 -3.436 3.154 -11.331 333 HB3 LEU 44 2HB LEU 44 -2.689 4.720 -11.638 334 HG LEU 44 HG LEU 44 -0.949 3.131 -11.718 335 HD11 LEU 44 1HD1 LEU 44 0.530 3.875 -10.033 336 HD12 LEU 44 2HD1 LEU 44 -0.793 4.214 -8.917 337 HD13 LEU 44 3HD1 LEU 44 -0.570 5.217 -10.350 338 HD21 LEU 44 3HD2 LEU 44 -2.202 1.308 -10.603 339 HD22 LEU 44 1HD2 LEU 44 -1.868 2.072 -9.049 340 HD23 LEU 44 2HD2 LEU 44 -0.539 1.460 -10.033 341 H SER 45 H SER 45 -5.611 3.593 -10.618 342 HA SER 45 HA SER 45 -6.757 5.806 -11.786 343 HB2 SER 45 1HB SER 45 -7.514 3.280 -11.677 344 HB3 SER 45 2HB SER 45 -8.537 3.863 -10.365 345 HG SER 45 HG SER 45 -9.617 5.142 -11.754 346 H GLU 46 H GLU 46 -7.243 4.639 -8.460 347 HA GLU 46 HA GLU 46 -8.807 6.971 -7.772 348 HB2 GLU 46 1HB GLU 46 -7.811 4.633 -6.140 349 HB3 GLU 46 2HB GLU 46 -8.773 5.945 -5.473 350 HG2 GLU 46 1HG GLU 46 -9.645 4.129 -7.708 351 HG3 GLU 46 2HG GLU 46 -10.103 3.951 -6.015 352 H ARG 47 H ARG 47 -5.714 6.771 -8.403 353 HA ARG 47 HA ARG 47 -3.762 7.699 -7.636 354 HB2 ARG 47 1HB ARG 47 -5.717 9.869 -6.850 355 HB3 ARG 47 2HB ARG 47 -3.986 10.078 -7.081 356 HG2 ARG 47 1HG ARG 47 -5.819 9.121 -9.261 357 HG3 ARG 47 2HG ARG 47 -5.459 10.825 -8.979 358 HD2 ARG 47 1HD ARG 47 -2.987 10.079 -9.102 359 HD3 ARG 47 2HD ARG 47 -3.629 8.629 -9.873 360 HE ARG 47 HE ARG 47 -4.619 11.015 -11.083 361 HH11 ARG 47 2HH1 ARG 47 -1.883 8.867 -10.944 362 HH12 ARG 47 1HH1 ARG 47 -1.326 9.263 -12.536 363 HH21 ARG 47 1HH2 ARG 47 -2.471 10.787 -13.807 364 HH22 ARG 47 2HH2 ARG 47 -3.896 11.544 -13.180 365 H VAL 48 H VAL 48 -4.839 5.901 -5.759 366 HA VAL 48 HA VAL 48 -5.025 6.941 -3.150 367 HB VAL 48 HB VAL 48 -4.149 4.186 -4.030 368 HG11 VAL 48 1HG1 VAL 48 -4.542 5.416 -1.382 369 HG12 VAL 48 2HG1 VAL 48 -5.281 3.829 -1.609 370 HG13 VAL 48 3HG1 VAL 48 -3.548 4.041 -1.861 371 HG21 VAL 48 3HG2 VAL 48 -6.391 3.518 -3.895 372 HG22 VAL 48 1HG2 VAL 48 -6.864 4.976 -3.022 373 HG23 VAL 48 2HG2 VAL 48 -6.448 5.069 -4.733 374 H ASN 49 H ASN 49 -3.402 8.330 -2.589 375 HA ASN 49 HA ASN 49 -0.626 7.576 -2.949 376 HB2 ASN 49 1HB ASN 49 -0.099 9.773 -2.082 377 HB3 ASN 49 2HB ASN 49 -1.395 9.925 -3.265 378 HD21 ASN 49 2HD2 ASN 49 -1.883 11.483 0.302 379 HD22 ASN 49 1HD2 ASN 49 -0.377 11.077 -0.441 380 H GLY 50 H GLY 50 0.879 7.891 -1.031 381 HA2 GLY 50 1HA GLY 50 0.497 5.963 0.877 382 HA3 GLY 50 2HA GLY 50 1.549 7.353 1.105 383 H ARG 51 H ARG 51 0.053 9.455 1.469 384 HA ARG 51 HA ARG 51 -0.841 9.415 4.033 385 HB2 ARG 51 1HB ARG 51 -0.623 11.362 2.253 386 HB3 ARG 51 2HB ARG 51 -2.359 11.120 2.111 387 HG2 ARG 51 1HG ARG 51 -1.050 11.537 4.774 388 HG3 ARG 51 2HG ARG 51 -1.520 12.892 3.747 389 HD2 ARG 51 1HD ARG 51 -3.826 11.787 3.663 390 HD3 ARG 51 2HD ARG 51 -3.266 10.805 5.015 391 HE ARG 51 HE ARG 51 -2.751 13.321 5.844 392 HH11 ARG 51 2HH1 ARG 51 -5.591 11.780 4.547 393 HH12 ARG 51 1HH1 ARG 51 -6.696 12.791 5.417 394 HH21 ARG 51 1HH2 ARG 51 -5.902 14.429 6.808 395 HH22 ARG 51 2HH2 ARG 51 -4.196 14.659 6.995 396 H LEU 52 H LEU 52 -2.768 8.744 1.140 397 HA LEU 52 HA LEU 52 -5.212 8.373 2.565 398 HB2 LEU 52 1HB LEU 52 -5.156 9.009 0.206 399 HB3 LEU 52 2HB LEU 52 -4.403 7.467 -0.195 400 HG LEU 52 HG LEU 52 -6.453 6.306 0.526 401 HD11 LEU 52 1HD1 LEU 52 -7.230 7.970 2.148 402 HD12 LEU 52 2HD1 LEU 52 -8.480 7.569 0.970 403 HD13 LEU 52 3HD1 LEU 52 -7.588 9.083 0.827 404 HD21 LEU 52 3HD2 LEU 52 -6.428 6.602 -1.760 405 HD22 LEU 52 1HD2 LEU 52 -6.511 8.360 -1.642 406 HD23 LEU 52 2HD2 LEU 52 -7.945 7.385 -1.316 407 H LEU 53 H LEU 53 -2.700 6.216 1.332 408 HA LEU 53 HA LEU 53 -3.921 3.764 1.738 409 HB2 LEU 53 1HB LEU 53 -1.749 4.102 0.625 410 HB3 LEU 53 2HB LEU 53 -1.019 4.447 2.191 411 HG LEU 53 HG LEU 53 -1.675 2.107 2.877 412 HD11 LEU 53 1HD1 LEU 53 -2.665 2.146 0.105 413 HD12 LEU 53 2HD1 LEU 53 -3.196 1.194 1.490 414 HD13 LEU 53 3HD1 LEU 53 -1.766 0.705 0.581 415 HD21 LEU 53 3HD2 LEU 53 0.136 1.808 0.564 416 HD22 LEU 53 1HD2 LEU 53 0.365 1.360 2.254 417 HD23 LEU 53 2HD2 LEU 53 0.574 3.038 1.751 418 H LEU 54 H LEU 54 -2.186 5.806 4.046 419 HA LEU 54 HA LEU 54 -2.263 3.970 6.201 420 HB2 LEU 54 1HB LEU 54 -1.887 6.942 6.023 421 HB3 LEU 54 2HB LEU 54 -1.940 6.110 7.576 422 HG LEU 54 HG LEU 54 0.054 5.525 5.389 423 HD11 LEU 54 1HD1 LEU 54 1.563 6.933 6.372 424 HD12 LEU 54 2HD1 LEU 54 0.778 6.858 7.949 425 HD13 LEU 54 3HD1 LEU 54 0.070 7.828 6.658 426 HD21 LEU 54 3HD2 LEU 54 0.711 3.791 6.614 427 HD22 LEU 54 1HD2 LEU 54 -0.735 4.015 7.599 428 HD23 LEU 54 2HD2 LEU 54 0.783 4.777 8.075 429 H THR 55 H THR 55 -4.301 6.770 5.386 430 HA THR 55 HA THR 55 -6.046 6.607 7.560 431 HB THR 55 HB THR 55 -7.596 7.949 6.282 432 HG1 THR 55 1HG THR 55 -7.398 6.741 4.296 433 HG21 THR 55 3HG2 THR 55 -4.689 8.547 6.119 434 HG22 THR 55 1HG2 THR 55 -5.976 9.413 6.958 435 HG23 THR 55 2HG2 THR 55 -5.791 9.583 5.212 436 H LEU 56 H LEU 56 -5.777 4.628 4.757 437 HA LEU 56 HA LEU 56 -8.445 3.620 4.743 438 HB2 LEU 56 1HB LEU 56 -5.863 2.674 3.536 439 HB3 LEU 56 2HB LEU 56 -7.356 1.751 3.384 440 HG LEU 56 HG LEU 56 -7.091 4.599 2.445 441 HD11 LEU 56 1HD1 LEU 56 -7.171 2.737 0.294 442 HD12 LEU 56 2HD1 LEU 56 -5.826 2.320 1.355 443 HD13 LEU 56 3HD1 LEU 56 -5.939 3.942 0.672 444 HD21 LEU 56 3HD2 LEU 56 -9.353 3.462 2.910 445 HD22 LEU 56 1HD2 LEU 56 -9.002 2.507 1.469 446 HD23 LEU 56 2HD2 LEU 56 -9.121 4.263 1.356 447 H THR 57 H THR 57 -9.333 1.976 5.846 448 HA THR 57 HA THR 57 -7.599 0.518 7.728 449 HB THR 57 HB THR 57 -9.587 0.170 9.118 450 HG1 THR 57 1HG THR 57 -11.544 0.722 8.443 451 HG21 THR 57 3HG2 THR 57 -8.808 2.956 8.349 452 HG22 THR 57 1HG2 THR 57 -8.450 2.063 9.827 453 HG23 THR 57 2HG2 THR 57 -10.074 2.693 9.548 454 H GLU 58 H GLU 58 -8.531 -1.679 8.356 455 HA GLU 58 HA GLU 58 -8.486 -3.395 6.192 456 HB2 GLU 58 1HB GLU 58 -8.068 -4.198 8.429 457 HB3 GLU 58 2HB GLU 58 -9.707 -3.797 8.925 458 HG2 GLU 58 1HG GLU 58 -10.626 -5.525 7.584 459 HG3 GLU 58 2HG GLU 58 -9.080 -5.814 6.788 460 H GLU 59 H GLU 59 -11.029 -1.402 7.239 461 HA GLU 59 HA GLU 59 -13.115 -3.019 6.011 462 HB2 GLU 59 1HB GLU 59 -14.110 -2.043 7.805 463 HB3 GLU 59 2HB GLU 59 -13.021 -0.663 7.791 464 HG2 GLU 59 1HG GLU 59 -14.321 0.531 6.339 465 HG3 GLU 59 2HG GLU 59 -15.025 -0.911 5.611 466 H GLU 60 H GLU 60 -11.918 0.325 5.660 467 HA GLU 60 HA GLU 60 -13.266 1.080 3.406 468 HB2 GLU 60 1HB GLU 60 -10.388 1.701 4.093 469 HB3 GLU 60 2HB GLU 60 -11.350 2.573 2.908 470 HG2 GLU 60 1HG GLU 60 -11.888 2.400 5.863 471 HG3 GLU 60 2HG GLU 60 -11.252 3.793 4.991 472 H PHE 61 H PHE 61 -10.307 -0.849 3.579 473 HA PHE 61 HA PHE 61 -9.756 -0.977 0.838 474 HB2 PHE 61 1HB PHE 61 -9.132 -2.830 3.129 475 HB3 PHE 61 2HB PHE 61 -8.613 -3.187 1.485 476 HD1 PHE 61 1HD PHE 61 -7.402 -1.135 0.291 477 HD2 PHE 61 2HD PHE 61 -7.653 -1.743 4.496 478 HE1 PHE 61 1HE PHE 61 -5.414 0.280 0.610 479 HE2 PHE 61 2HE PHE 61 -5.667 -0.329 4.822 480 HZ PHE 61 HZ PHE 61 -4.545 0.685 2.879 481 H SER 62 H SER 62 -12.010 -2.756 2.829 482 HA SER 62 HA SER 62 -12.625 -4.645 0.715 483 HB2 SER 62 1HB SER 62 -12.648 -5.489 2.985 484 HB3 SER 62 2HB SER 62 -13.805 -4.251 3.475 485 HG SER 62 HG SER 62 -15.359 -5.445 2.724 486 H ARG 63 H ARG 63 -13.199 -1.595 0.746 487 HA ARG 63 HA ARG 63 -16.048 -1.794 0.023 488 HB2 ARG 63 1HB ARG 63 -14.504 0.656 0.895 489 HB3 ARG 63 2HB ARG 63 -16.216 0.604 0.493 490 HG2 ARG 63 1HG ARG 63 -15.123 -1.132 2.666 491 HG3 ARG 63 2HG ARG 63 -15.491 0.567 2.970 492 HD2 ARG 63 1HD ARG 63 -17.770 -0.067 1.815 493 HD3 ARG 63 2HD ARG 63 -17.321 -1.694 2.326 494 HE ARG 63 HE ARG 63 -17.001 -0.218 4.574 495 HH11 ARG 63 2HH1 ARG 63 -19.621 -0.628 2.319 496 HH12 ARG 63 1HH1 ARG 63 -20.856 -0.354 3.503 497 HH21 ARG 63 1HH2 ARG 63 -20.283 0.087 5.678 498 HH22 ARG 63 2HH2 ARG 63 -18.617 0.145 6.143 499 H ALA 64 H ALA 64 -16.766 -0.767 -1.869 500 HA ALA 64 HA ALA 64 -15.078 -0.946 -4.090 501 HB1 ALA 64 3HB ALA 64 -17.682 0.541 -3.778 502 HB2 ALA 64 1HB ALA 64 -16.887 0.210 -5.317 503 HB3 ALA 64 2HB ALA 64 -17.471 -1.124 -4.321 504 HA PRO 65 HA PRO 65 -15.118 0.056 -6.220 505 HB2 PRO 65 2HB PRO 65 -14.172 1.569 -7.667 506 HB3 PRO 65 1HB PRO 65 -12.782 0.485 -7.534 507 HG2 PRO 65 1HG PRO 65 -11.712 1.840 -5.982 508 HG3 PRO 65 2HG PRO 65 -12.553 3.072 -6.941 509 HD2 PRO 65 1HD PRO 65 -12.856 2.856 -4.259 510 HD3 PRO 65 2HD PRO 65 -14.162 3.411 -5.326 511 H TYR 66 H TYR 66 -12.198 0.292 -4.261 512 HA TYR 66 HA TYR 66 -10.729 -1.870 -4.874 513 HB2 TYR 66 1HB TYR 66 -11.442 -1.558 -1.987 514 HB3 TYR 66 2HB TYR 66 -9.869 -1.834 -2.725 515 HD1 TYR 66 1HD TYR 66 -9.195 0.203 -4.407 516 HD2 TYR 66 2HD TYR 66 -11.730 0.499 -1.003 517 HE1 TYR 66 1HE TYR 66 -8.697 2.607 -4.253 518 HE2 TYR 66 2HE TYR 66 -11.241 2.904 -0.840 519 HH TYR 66 HH TYR 66 -9.349 4.449 -1.563 520 H THR 67 H THR 67 -13.732 -1.966 -2.989 521 HA THR 67 HA THR 67 -14.892 -3.790 -2.150 522 HB THR 67 HB THR 67 -15.765 -3.328 -4.452 523 HG1 THR 67 1HG THR 67 -15.824 -5.994 -3.454 524 HG21 THR 67 3HG2 THR 67 -14.199 -5.767 -5.274 525 HG22 THR 67 1HG2 THR 67 -13.650 -4.123 -5.595 526 HG23 THR 67 2HG2 THR 67 -15.163 -4.700 -6.295 527 H ILE 68 H ILE 68 -12.078 -4.196 -1.843 528 HA ILE 68 HA ILE 68 -10.995 -6.535 -2.755 529 HB ILE 68 HB ILE 68 -10.796 -5.248 -0.045 530 HG12 ILE 68 1HG1 ILE 68 -8.802 -5.544 -2.301 531 HG13 ILE 68 2HG1 ILE 68 -9.790 -4.115 -2.018 532 HG21 ILE 68 1HG2 ILE 68 -9.737 -7.865 -0.954 533 HG22 ILE 68 2HG2 ILE 68 -8.676 -6.841 0.012 534 HG23 ILE 68 3HG2 ILE 68 -10.240 -7.342 0.653 535 HD11 ILE 68 3HD1 ILE 68 -7.260 -4.640 -1.006 536 HD12 ILE 68 1HD1 ILE 68 -8.350 -3.338 -0.530 537 HD13 ILE 68 2HD1 ILE 68 -8.352 -4.861 0.361 538 H GLU 69 H GLU 69 -12.501 -8.166 -3.073 539 HA GLU 69 HA GLU 69 -14.044 -9.168 -0.835 540 HB2 GLU 69 1HB GLU 69 -13.790 -10.326 -3.613 541 HB3 GLU 69 2HB GLU 69 -15.028 -10.701 -2.422 542 HG2 GLU 69 1HG GLU 69 -15.487 -8.116 -2.579 543 HG3 GLU 69 2HG GLU 69 -14.721 -8.309 -4.155 544 H ASN 70 H ASN 70 -11.024 -9.302 -0.984 545 HA ASN 70 HA ASN 70 -10.813 -12.164 -0.347 546 HB2 ASN 70 1HB ASN 70 -9.789 -11.876 -2.528 547 HB3 ASN 70 2HB ASN 70 -8.824 -10.528 -1.934 548 HD21 ASN 70 2HD2 ASN 70 -7.853 -14.344 -0.814 549 HD22 ASN 70 1HD2 ASN 70 -9.485 -13.934 -1.203 550 H SER 71 H SER 71 -10.610 -12.119 1.808 551 HA SER 71 HA SER 71 -9.587 -10.080 3.376 552 HB2 SER 71 1HB SER 71 -10.066 -12.990 3.782 553 HB3 SER 71 2HB SER 71 -9.058 -12.163 4.969 554 HG SER 71 HG SER 71 -11.434 -10.916 4.229 555 H SER 72 H SER 72 -7.899 -13.111 2.538 556 HA SER 72 HA SER 72 -5.465 -12.774 3.588 557 HB2 SER 72 1HB SER 72 -6.119 -13.703 0.788 558 HB3 SER 72 2HB SER 72 -4.507 -13.837 1.491 559 HG SER 72 HG SER 72 -5.220 -15.628 2.313 560 H HIS 73 H HIS 73 -6.602 -11.129 0.665 561 HA HIS 73 HA HIS 73 -4.209 -9.813 0.022 562 HB2 HIS 73 1HB HIS 73 -6.107 -9.975 -1.530 563 HB3 HIS 73 2HB HIS 73 -7.056 -8.920 -0.487 564 HD1 HIS 73 1HD HIS 73 -6.636 -6.414 -0.650 565 HD2 HIS 73 2HD HIS 73 -4.043 -8.674 -2.981 566 HE1 HIS 73 1HE HIS 73 -5.448 -4.762 -2.129 567 HE2 HIS 73 2HE HIS 73 -3.947 -6.161 -3.589 568 H ARG 74 H ARG 74 -6.957 -8.788 2.020 569 HA ARG 74 HA ARG 74 -6.004 -6.208 2.605 570 HB2 ARG 74 1HB ARG 74 -7.981 -8.056 3.887 571 HB3 ARG 74 2HB ARG 74 -7.504 -6.585 4.725 572 HG2 ARG 74 1HG ARG 74 -8.178 -5.299 2.699 573 HG3 ARG 74 2HG ARG 74 -8.813 -6.802 2.025 574 HD2 ARG 74 1HD ARG 74 -9.671 -5.926 4.747 575 HD3 ARG 74 2HD ARG 74 -10.382 -5.163 3.326 576 HE ARG 74 HE ARG 74 -10.647 -7.806 2.810 577 HH11 ARG 74 2HH1 ARG 74 -11.502 -5.795 5.520 578 HH12 ARG 74 1HH1 ARG 74 -12.868 -6.760 5.973 579 HH21 ARG 74 1HH2 ARG 74 -13.402 -8.631 4.764 580 HH22 ARG 74 2HH2 ARG 74 -12.443 -9.084 3.396 581 H ARG 75 H ARG 75 -5.641 -9.289 4.325 582 HA ARG 75 HA ARG 75 -4.334 -8.377 6.596 583 HB2 ARG 75 1HB ARG 75 -5.165 -10.740 6.037 584 HB3 ARG 75 2HB ARG 75 -3.619 -10.962 5.229 585 HG2 ARG 75 1HG ARG 75 -3.673 -10.004 8.052 586 HG3 ARG 75 2HG ARG 75 -3.937 -11.714 7.701 587 HD2 ARG 75 1HD ARG 75 -1.814 -11.837 6.545 588 HD3 ARG 75 2HD ARG 75 -1.562 -10.107 6.768 589 HE ARG 75 HE ARG 75 -0.819 -10.536 8.883 590 HH11 ARG 75 2HH1 ARG 75 -2.625 -13.288 7.748 591 HH12 ARG 75 1HH1 ARG 75 -2.237 -14.273 9.119 592 HH21 ARG 75 1HH2 ARG 75 -0.916 -13.438 10.795 593 HH22 ARG 75 2HH2 ARG 75 -0.301 -11.823 10.694 594 H VAL 76 H VAL 76 -2.953 -9.370 3.478 595 HA VAL 76 HA VAL 76 -0.255 -9.053 4.137 596 HB VAL 76 HB VAL 76 -1.545 -8.617 1.439 597 HG11 VAL 76 1HG1 VAL 76 0.487 -8.265 0.611 598 HG12 VAL 76 2HG1 VAL 76 1.098 -8.193 2.265 599 HG13 VAL 76 3HG1 VAL 76 1.107 -9.722 1.386 600 HG21 VAL 76 3HG2 VAL 76 -1.455 -10.880 1.049 601 HG22 VAL 76 1HG2 VAL 76 -0.185 -11.146 2.243 602 HG23 VAL 76 2HG2 VAL 76 -1.844 -10.860 2.769 603 H ILE 77 H ILE 77 -2.536 -6.744 2.688 604 HA ILE 77 HA ILE 77 -0.687 -4.619 2.453 605 HB ILE 77 HB ILE 77 -3.696 -4.665 2.552 606 HG12 ILE 77 1HG1 ILE 77 -1.833 -3.959 0.282 607 HG13 ILE 77 2HG1 ILE 77 -2.427 -5.592 0.564 608 HG21 ILE 77 1HG2 ILE 77 -1.843 -2.378 2.688 609 HG22 ILE 77 2HG2 ILE 77 -3.156 -2.239 1.520 610 HG23 ILE 77 3HG2 ILE 77 -3.517 -2.519 3.224 611 HD11 ILE 77 3HD1 ILE 77 -4.308 -3.287 0.240 612 HD12 ILE 77 1HD1 ILE 77 -3.639 -4.140 -1.151 613 HD13 ILE 77 2HD1 ILE 77 -4.616 -5.011 0.032 614 H LEU 78 H LEU 78 -3.387 -4.982 4.762 615 HA LEU 78 HA LEU 78 -2.753 -2.870 6.426 616 HB2 LEU 78 1HB LEU 78 -4.205 -5.439 6.789 617 HB3 LEU 78 2HB LEU 78 -3.808 -4.499 8.226 618 HG LEU 78 HG LEU 78 -6.093 -4.084 7.417 619 HD11 LEU 78 1HD1 LEU 78 -5.091 -1.467 6.830 620 HD12 LEU 78 2HD1 LEU 78 -4.142 -2.195 8.125 621 HD13 LEU 78 3HD1 LEU 78 -5.892 -2.057 8.287 622 HD21 LEU 78 3HD2 LEU 78 -6.596 -3.221 5.330 623 HD22 LEU 78 1HD2 LEU 78 -5.320 -4.381 4.960 624 HD23 LEU 78 2HD2 LEU 78 -4.947 -2.659 5.049 625 H THR 79 H THR 79 -1.941 -6.292 7.039 626 HA THR 79 HA THR 79 -0.377 -6.026 9.257 627 HB THR 79 HB THR 79 0.099 -7.887 6.922 628 HG1 THR 79 1HG THR 79 -1.948 -7.891 8.280 629 HG21 THR 79 3HG2 THR 79 1.247 -9.300 8.661 630 HG22 THR 79 1HG2 THR 79 1.229 -7.889 9.718 631 HG23 THR 79 2HG2 THR 79 2.117 -7.838 8.195 632 H GLU 80 H GLU 80 0.950 -6.122 5.941 633 HA GLU 80 HA GLU 80 3.556 -5.428 6.577 634 HB2 GLU 80 1HB GLU 80 1.927 -4.948 4.087 635 HB3 GLU 80 2HB GLU 80 3.630 -4.523 4.191 636 HG2 GLU 80 1HG GLU 80 2.840 -7.283 4.934 637 HG3 GLU 80 2HG GLU 80 2.816 -6.841 3.227 638 H LEU 81 H LEU 81 0.772 -3.353 5.952 639 HA LEU 81 HA LEU 81 2.161 -0.899 5.909 640 HB2 LEU 81 1HB LEU 81 -0.633 -1.785 6.119 641 HB3 LEU 81 2HB LEU 81 -0.296 -0.213 6.841 642 HG LEU 81 HG LEU 81 0.448 -0.880 4.003 643 HD11 LEU 81 1HD1 LEU 81 -2.121 -0.912 4.850 644 HD12 LEU 81 2HD1 LEU 81 -1.611 -0.418 3.236 645 HD13 LEU 81 3HD1 LEU 81 -1.914 0.799 4.476 646 HD21 LEU 81 3HD2 LEU 81 0.915 1.324 5.734 647 HD22 LEU 81 1HD2 LEU 81 -0.191 1.843 4.462 648 HD23 LEU 81 2HD2 LEU 81 1.369 1.136 4.040 649 H GLU 82 H GLU 82 0.810 -2.828 8.517 650 HA GLU 82 HA GLU 82 1.001 -0.898 10.561 651 HB2 GLU 82 1HB GLU 82 -0.336 -2.773 11.038 652 HB3 GLU 82 2HB GLU 82 0.922 -3.903 10.555 653 HG2 GLU 82 1HG GLU 82 2.013 -3.764 12.546 654 HG3 GLU 82 2HG GLU 82 1.476 -2.113 12.853 655 H ARG 83 H ARG 83 3.345 -3.002 9.084 656 HA ARG 83 HA ARG 83 5.322 -2.627 11.152 657 HB2 ARG 83 1HB ARG 83 5.689 -3.760 8.375 658 HB3 ARG 83 2HB ARG 83 6.785 -3.937 9.738 659 HG2 ARG 83 1HG ARG 83 4.659 -5.013 10.866 660 HG3 ARG 83 2HG ARG 83 4.205 -5.297 9.184 661 HD2 ARG 83 1HD ARG 83 5.368 -7.229 9.830 662 HD3 ARG 83 2HD ARG 83 6.531 -6.291 8.895 663 HE ARG 83 HE ARG 83 6.989 -5.523 11.460 664 HH11 ARG 83 2HH1 ARG 83 6.853 -8.598 9.834 665 HH12 ARG 83 1HH1 ARG 83 8.000 -9.354 10.890 666 HH21 ARG 83 1HH2 ARG 83 8.936 -8.164 12.609 667 HH22 ARG 83 2HH2 ARG 83 8.500 -6.507 12.857 668 H VAL 84 H VAL 84 5.085 -1.693 7.717 669 HA VAL 84 HA VAL 84 7.341 -0.099 7.569 670 HB VAL 84 HB VAL 84 6.189 1.113 5.724 671 HG11 VAL 84 1HG1 VAL 84 5.837 -1.882 5.633 672 HG12 VAL 84 2HG1 VAL 84 6.008 -0.798 4.250 673 HG13 VAL 84 3HG1 VAL 84 7.357 -1.030 5.363 674 HG21 VAL 84 3HG2 VAL 84 3.916 -0.007 5.106 675 HG22 VAL 84 1HG2 VAL 84 3.844 -0.370 6.831 676 HG23 VAL 84 2HG2 VAL 84 3.957 1.303 6.286 677 H ARG 85 H ARG 85 4.128 0.690 8.773 678 HA ARG 85 HA ARG 85 4.818 3.475 9.184 679 HB2 ARG 85 1HB ARG 85 2.590 3.843 9.594 680 HB3 ARG 85 2HB ARG 85 2.480 2.399 8.597 681 HG2 ARG 85 1HG ARG 85 2.509 1.109 10.817 682 HG3 ARG 85 2HG ARG 85 2.137 2.667 11.557 683 HD2 ARG 85 1HD ARG 85 0.211 2.834 9.927 684 HD3 ARG 85 2HD ARG 85 0.521 1.145 9.526 685 HE ARG 85 HE ARG 85 0.285 1.215 12.261 686 HH11 ARG 85 2HH1 ARG 85 -1.714 2.083 9.546 687 HH12 ARG 85 1HH1 ARG 85 -3.202 1.756 10.370 688 HH21 ARG 85 1HH2 ARG 85 -3.175 1.016 12.538 689 HH22 ARG 85 2HH2 ARG 85 -1.668 0.781 13.357 690 H SER 86 H SER 86 3.805 4.209 11.522 691 HA SER 86 HA SER 86 5.775 3.428 13.389 692 HB2 SER 86 1HB SER 86 4.380 5.628 13.234 693 HB3 SER 86 2HB SER 86 3.209 4.752 14.219 694 HG SER 86 HG SER 86 5.707 5.739 14.885 695 H GLY 87 H GLY 87 5.816 1.366 14.081 696 HA2 GLY 87 1HA GLY 87 4.363 0.351 16.095 697 HA3 GLY 87 2HA GLY 87 3.358 -0.043 14.708 698 HA PRO 88 HA PRO 88 7.514 -2.466 14.134 699 HB2 PRO 88 2HB PRO 88 9.280 -1.288 15.013 700 HB3 PRO 88 1HB PRO 88 9.177 -2.516 16.280 701 HG2 PRO 88 1HG PRO 88 7.996 -1.123 17.713 702 HG3 PRO 88 2HG PRO 88 9.004 0.074 16.878 703 HD2 PRO 88 1HD PRO 88 6.303 0.246 16.959 704 HD3 PRO 88 2HD PRO 88 7.255 0.824 15.577 705 H SER 89 H SER 89 6.322 -4.322 14.189 706 HA SER 89 HA SER 89 5.201 -6.142 15.037 707 HB2 SER 89 1HB SER 89 7.716 -6.635 15.142 708 HB3 SER 89 2HB SER 89 7.583 -6.349 16.876 709 HG SER 89 HG SER 89 5.686 -7.962 16.513 710 H SER 90 H SER 90 4.240 -3.836 16.242 711 HA SER 90 HA SER 90 3.570 -4.857 18.913 712 HB2 SER 90 1HB SER 90 5.276 -2.859 18.814 713 HB3 SER 90 2HB SER 90 3.831 -1.900 18.499 714 HG SER 90 HG SER 90 3.077 -3.269 20.474 715 H GLY 91 H GLY 91 1.513 -4.144 19.729 716 HA2 GLY 91 1HA GLY 91 -0.553 -4.235 17.851 717 HA3 GLY 91 2HA GLY 91 -0.733 -3.724 19.523 Start of MODEL 12 1 H1 GLY 1 H GLY 1 20.309 13.994 1.793 2 HA2 GLY 1 1HA GLY 1 21.659 13.204 0.113 3 HA3 GLY 1 2HA GLY 1 21.262 11.604 0.723 4 H SER 2 H SER 2 19.425 14.150 -0.968 5 HA SER 2 HA SER 2 17.753 12.455 -2.387 6 HB2 SER 2 1HB SER 2 17.434 14.908 -2.194 7 HB3 SER 2 2HB SER 2 18.783 15.152 -3.303 8 HG SER 2 HG SER 2 16.232 14.080 -3.812 9 H SER 3 H SER 3 17.936 11.239 -4.172 10 HA SER 3 HA SER 3 20.015 11.672 -6.116 11 HB2 SER 3 1HB SER 3 20.109 9.316 -4.237 12 HB3 SER 3 2HB SER 3 20.853 9.257 -5.835 13 HG SER 3 HG SER 3 21.954 11.266 -5.132 14 H GLY 4 H GLY 4 19.914 9.970 -7.869 15 HA2 GLY 4 1HA GLY 4 18.718 8.720 -9.386 16 HA3 GLY 4 2HA GLY 4 17.631 8.287 -8.075 17 H SER 5 H SER 5 16.254 8.496 -10.182 18 HA SER 5 HA SER 5 15.114 11.213 -10.182 19 HB2 SER 5 1HB SER 5 15.856 9.451 -12.471 20 HB3 SER 5 2HB SER 5 14.403 10.439 -12.629 21 HG SER 5 HG SER 5 16.921 11.190 -12.929 22 H SER 6 H SER 6 14.489 7.777 -10.801 23 HA SER 6 HA SER 6 11.981 7.908 -9.415 24 HB2 SER 6 1HB SER 6 11.204 8.778 -11.536 25 HB3 SER 6 2HB SER 6 11.993 7.464 -12.409 26 HG SER 6 HG SER 6 10.248 6.356 -12.106 27 H GLY 7 H GLY 7 11.330 5.924 -8.694 28 HA2 GLY 7 1HA GLY 7 11.214 3.557 -8.738 29 HA3 GLY 7 2HA GLY 7 12.590 3.536 -9.831 30 H GLU 8 H GLU 8 11.640 2.810 -6.779 31 HA GLU 8 HA GLU 8 14.307 2.355 -5.884 32 HB2 GLU 8 1HB GLU 8 14.019 3.773 -3.781 33 HB3 GLU 8 2HB GLU 8 14.404 4.625 -5.270 34 HG2 GLU 8 1HG GLU 8 11.630 4.338 -4.143 35 HG3 GLU 8 2HG GLU 8 12.675 5.735 -3.891 36 H HIS 9 H HIS 9 14.256 0.565 -4.701 37 HA HIS 9 HA HIS 9 11.827 -0.032 -3.148 38 HB2 HIS 9 1HB HIS 9 12.254 -2.458 -3.699 39 HB3 HIS 9 2HB HIS 9 11.723 -1.467 -5.054 40 HD1 HIS 9 1HD HIS 9 13.552 -0.861 -6.851 41 HD2 HIS 9 2HD HIS 9 14.739 -3.624 -3.985 42 HE1 HIS 9 1HE HIS 9 15.642 -1.920 -7.764 43 HE2 HIS 9 2HE HIS 9 16.294 -3.649 -6.051 44 H GLY 10 H GLY 10 12.488 0.297 -1.104 45 HA2 GLY 10 1HA GLY 10 13.759 -1.365 0.499 46 HA3 GLY 10 2HA GLY 10 15.143 -0.616 -0.283 47 H LEU 11 H LEU 11 13.778 1.990 -0.484 48 HA LEU 11 HA LEU 11 14.425 2.915 2.189 49 HB2 LEU 11 1HB LEU 11 14.545 5.064 1.289 50 HB3 LEU 11 2HB LEU 11 15.181 4.015 0.024 51 HG LEU 11 HG LEU 11 13.856 5.559 -1.115 52 HD11 LEU 11 1HD1 LEU 11 13.362 3.360 -1.897 53 HD12 LEU 11 2HD1 LEU 11 11.852 4.270 -1.856 54 HD13 LEU 11 3HD1 LEU 11 12.207 3.094 -0.591 55 HD21 LEU 11 3HD2 LEU 11 12.664 6.070 1.248 56 HD22 LEU 11 1HD2 LEU 11 11.373 5.193 0.427 57 HD23 LEU 11 2HD2 LEU 11 12.055 6.646 -0.304 58 H LEU 12 H LEU 12 11.742 1.659 0.876 59 HA LEU 12 HA LEU 12 9.696 3.483 1.497 60 HB2 LEU 12 1HB LEU 12 9.857 0.539 1.093 61 HB3 LEU 12 2HB LEU 12 8.389 1.210 1.801 62 HG LEU 12 HG LEU 12 8.240 0.842 -0.644 63 HD11 LEU 12 1HD1 LEU 12 7.606 3.334 -1.127 64 HD12 LEU 12 2HD1 LEU 12 7.911 3.532 0.598 65 HD13 LEU 12 3HD1 LEU 12 6.689 2.387 0.045 66 HD21 LEU 12 3HD2 LEU 12 10.225 3.098 -0.864 67 HD22 LEU 12 1HD2 LEU 12 9.479 2.187 -2.177 68 HD23 LEU 12 2HD2 LEU 12 10.633 1.398 -1.102 69 H VAL 13 H VAL 13 10.679 0.590 3.346 70 HA VAL 13 HA VAL 13 9.193 0.969 5.611 71 HB VAL 13 HB VAL 13 10.990 -0.221 6.861 72 HG11 VAL 13 1HG1 VAL 13 9.558 -1.742 5.938 73 HG12 VAL 13 2HG1 VAL 13 9.858 -1.191 4.288 74 HG13 VAL 13 3HG1 VAL 13 11.047 -2.200 5.113 75 HG21 VAL 13 3HG2 VAL 13 12.745 0.933 5.222 76 HG22 VAL 13 1HG2 VAL 13 13.079 -0.592 6.042 77 HG23 VAL 13 2HG2 VAL 13 12.542 -0.593 4.362 78 H HIS 14 H HIS 14 12.125 2.633 4.663 79 HA HIS 14 HA HIS 14 12.509 3.909 7.209 80 HB2 HIS 14 1HB HIS 14 14.535 3.818 6.158 81 HB3 HIS 14 2HB HIS 14 13.830 3.973 4.552 82 HD1 HIS 14 1HD HIS 14 14.713 6.112 7.550 83 HD2 HIS 14 2HD HIS 14 13.965 6.480 3.480 84 HE1 HIS 14 1HE HIS 14 15.260 8.499 6.979 85 HE2 HIS 14 2HE HIS 14 14.719 8.721 4.529 86 H LYS 15 H LYS 15 11.837 5.288 3.986 87 HA LYS 15 HA LYS 15 11.009 7.792 4.935 88 HB2 LYS 15 1HB LYS 15 11.669 7.500 2.630 89 HB3 LYS 15 2HB LYS 15 10.362 6.356 2.356 90 HG2 LYS 15 1HG LYS 15 8.841 8.355 3.051 91 HG3 LYS 15 2HG LYS 15 10.257 9.322 2.629 92 HD2 LYS 15 1HD LYS 15 10.283 8.297 0.402 93 HD3 LYS 15 2HD LYS 15 8.861 7.342 0.827 94 HE2 LYS 15 1HE LYS 15 7.490 9.258 0.950 95 HE3 LYS 15 2HE LYS 15 8.878 10.345 0.956 96 HZ1 LYS 15 3HZ LYS 15 9.042 10.280 -1.265 97 HZ2 LYS 15 1HZ LYS 15 7.431 9.766 -1.216 98 HZ3 LYS 15 2HZ LYS 15 8.675 8.631 -1.367 99 H ALA 16 H ALA 16 9.230 8.401 5.964 100 HA ALA 16 HA ALA 16 7.233 6.800 6.891 101 HB1 ALA 16 3HB ALA 16 6.717 9.652 6.090 102 HB2 ALA 16 1HB ALA 16 5.999 8.743 7.420 103 HB3 ALA 16 2HB ALA 16 7.698 9.214 7.488 104 H VAL 17 H VAL 17 5.277 6.046 6.209 105 HA VAL 17 HA VAL 17 4.865 5.748 3.413 106 HB VAL 17 HB VAL 17 3.009 5.123 5.713 107 HG11 VAL 17 1HG1 VAL 17 1.451 4.594 4.224 108 HG12 VAL 17 2HG1 VAL 17 2.497 5.181 2.930 109 HG13 VAL 17 3HG1 VAL 17 2.568 3.489 3.424 110 HG21 VAL 17 3HG2 VAL 17 4.396 2.995 4.202 111 HG22 VAL 17 1HG2 VAL 17 5.393 3.979 5.274 112 HG23 VAL 17 2HG2 VAL 17 4.007 3.099 5.919 113 H ASP 18 H ASP 18 3.575 7.897 5.853 114 HA ASP 18 HA ASP 18 1.361 8.859 4.375 115 HB2 ASP 18 1HB ASP 18 1.160 10.536 6.038 116 HB3 ASP 18 2HB ASP 18 1.782 9.116 6.874 117 H LYS 19 H LYS 19 4.575 9.104 3.706 118 HA LYS 19 HA LYS 19 4.257 11.698 2.347 119 HB2 LYS 19 1HB LYS 19 6.566 10.389 3.684 120 HB3 LYS 19 2HB LYS 19 6.908 11.339 2.245 121 HG2 LYS 19 1HG LYS 19 7.192 12.766 4.112 122 HG3 LYS 19 2HG LYS 19 5.688 13.243 3.322 123 HD2 LYS 19 1HD LYS 19 4.368 12.316 5.003 124 HD3 LYS 19 2HD LYS 19 5.674 11.283 5.590 125 HE2 LYS 19 1HE LYS 19 6.868 13.293 6.375 126 HE3 LYS 19 2HE LYS 19 5.511 14.285 5.844 127 HZ1 LYS 19 3HZ LYS 19 5.808 13.136 8.305 128 HZ2 LYS 19 1HZ LYS 19 4.675 12.144 7.535 129 HZ3 LYS 19 2HZ LYS 19 4.385 13.803 7.680 130 H TRP 20 H TRP 20 4.165 8.466 1.792 131 HA TRP 20 HA TRP 20 5.740 8.150 -0.527 132 HB2 TRP 20 1HB TRP 20 3.275 6.680 0.422 133 HB3 TRP 20 2HB TRP 20 4.231 6.187 -0.973 134 HD1 TRP 20 HD TRP 20 6.577 7.431 1.544 135 HE1 TRP 20 1HE TRP 20 7.634 5.490 2.864 136 HE3 TRP 20 3HE TRP 20 3.409 3.673 0.138 137 HZ2 TRP 20 2HZ TRP 20 7.184 2.731 3.257 138 HZ3 TRP 20 3HZ TRP 20 3.792 1.412 1.031 139 HH2 TRP 20 HH TRP 20 5.641 0.953 2.557 140 H THR 21 H THR 21 4.863 7.750 -2.727 141 HA THR 21 HA THR 21 2.687 9.640 -3.349 142 HB THR 21 HB THR 21 3.833 9.917 -5.589 143 HG1 THR 21 1HG THR 21 5.258 8.203 -5.595 144 HG21 THR 21 3HG2 THR 21 5.321 11.613 -4.805 145 HG22 THR 21 1HG2 THR 21 5.500 10.818 -3.242 146 HG23 THR 21 2HG2 THR 21 3.960 11.555 -3.686 147 H THR 22 H THR 22 1.373 9.144 -5.188 148 HA THR 22 HA THR 22 0.204 6.736 -5.315 149 HB THR 22 HB THR 22 0.692 8.090 -7.944 150 HG1 THR 22 1HG THR 22 -0.700 9.740 -7.356 151 HG21 THR 22 3HG2 THR 22 -1.928 7.220 -6.773 152 HG22 THR 22 1HG2 THR 22 -0.837 6.049 -7.510 153 HG23 THR 22 2HG2 THR 22 -1.469 7.388 -8.467 154 H GLU 23 H GLU 23 3.300 7.533 -6.696 155 HA GLU 23 HA GLU 23 3.502 5.168 -8.308 156 HB2 GLU 23 1HB GLU 23 4.762 7.490 -8.470 157 HB3 GLU 23 2HB GLU 23 5.916 6.683 -7.418 158 HG2 GLU 23 1HG GLU 23 6.457 5.091 -9.023 159 HG3 GLU 23 2HG GLU 23 4.996 5.401 -9.959 160 H GLU 24 H GLU 24 5.113 6.243 -5.313 161 HA GLU 24 HA GLU 24 6.452 3.827 -4.811 162 HB2 GLU 24 1HB GLU 24 5.549 5.987 -2.900 163 HB3 GLU 24 2HB GLU 24 6.635 4.674 -2.469 164 HG2 GLU 24 1HG GLU 24 7.996 5.584 -4.534 165 HG3 GLU 24 2HG GLU 24 7.123 7.066 -4.153 166 H VAL 25 H VAL 25 3.286 5.009 -3.769 167 HA VAL 25 HA VAL 25 2.558 3.126 -1.919 168 HB VAL 25 HB VAL 25 0.878 4.431 -4.055 169 HG11 VAL 25 1HG1 VAL 25 0.191 2.300 -2.173 170 HG12 VAL 25 2HG1 VAL 25 -0.880 3.701 -2.098 171 HG13 VAL 25 3HG1 VAL 25 -0.647 2.847 -3.624 172 HG21 VAL 25 3HG2 VAL 25 0.242 5.193 -1.384 173 HG22 VAL 25 1HG2 VAL 25 1.986 5.324 -1.610 174 HG23 VAL 25 2HG2 VAL 25 0.889 6.184 -2.691 175 H VAL 26 H VAL 26 2.120 2.867 -5.446 176 HA VAL 26 HA VAL 26 1.095 0.225 -5.375 177 HB VAL 26 HB VAL 26 2.402 1.727 -7.647 178 HG11 VAL 26 1HG1 VAL 26 2.515 -0.594 -8.162 179 HG12 VAL 26 2HG1 VAL 26 0.862 -0.862 -7.604 180 HG13 VAL 26 3HG1 VAL 26 1.159 0.074 -9.070 181 HG21 VAL 26 3HG2 VAL 26 -0.514 1.223 -7.543 182 HG22 VAL 26 1HG2 VAL 26 0.131 2.427 -6.428 183 HG23 VAL 26 2HG2 VAL 26 0.376 2.613 -8.165 184 H LEU 27 H LEU 27 4.330 1.561 -5.657 185 HA LEU 27 HA LEU 27 5.690 -0.739 -6.488 186 HB2 LEU 27 1HB LEU 27 6.423 1.774 -5.097 187 HB3 LEU 27 2HB LEU 27 7.574 0.442 -5.017 188 HG LEU 27 HG LEU 27 6.537 1.732 -7.541 189 HD11 LEU 27 1HD1 LEU 27 9.225 2.093 -7.505 190 HD12 LEU 27 2HD1 LEU 27 8.834 2.253 -5.794 191 HD13 LEU 27 3HD1 LEU 27 8.045 3.294 -6.979 192 HD21 LEU 27 3HD2 LEU 27 8.472 -0.523 -7.063 193 HD22 LEU 27 1HD2 LEU 27 8.380 0.372 -8.580 194 HD23 LEU 27 2HD2 LEU 27 6.986 -0.549 -8.014 195 H TRP 28 H TRP 28 5.267 0.534 -3.184 196 HA TRP 28 HA TRP 28 6.503 -1.545 -1.818 197 HB2 TRP 28 1HB TRP 28 6.000 0.363 -0.545 198 HB3 TRP 28 2HB TRP 28 4.315 0.374 -1.060 199 HD1 TRP 28 HD TRP 28 6.685 -1.479 1.339 200 HE1 TRP 28 1HE TRP 28 5.267 -2.599 3.172 201 HE3 TRP 28 3HE TRP 28 2.027 -0.482 -0.516 202 HZ2 TRP 28 2HZ TRP 28 2.535 -3.006 3.754 203 HZ3 TRP 28 3HZ TRP 28 0.063 -1.272 0.739 204 HH2 TRP 28 HH TRP 28 0.314 -2.508 2.830 205 H LEU 29 H LEU 29 3.136 -1.229 -2.868 206 HA LEU 29 HA LEU 29 2.291 -3.683 -1.680 207 HB2 LEU 29 1HB LEU 29 0.660 -1.992 -2.067 208 HB3 LEU 29 2HB LEU 29 1.078 -1.897 -3.776 209 HG LEU 29 HG LEU 29 0.251 -4.364 -3.844 210 HD11 LEU 29 1HD1 LEU 29 0.055 -4.566 -1.388 211 HD12 LEU 29 2HD1 LEU 29 -1.454 -4.906 -2.234 212 HD13 LEU 29 3HD1 LEU 29 -1.229 -3.358 -1.419 213 HD21 LEU 29 3HD2 LEU 29 -0.786 -2.235 -4.822 214 HD22 LEU 29 1HD2 LEU 29 -1.868 -2.281 -3.430 215 HD23 LEU 29 2HD2 LEU 29 -1.843 -3.625 -4.571 216 H GLU 30 H GLU 30 3.779 -2.800 -4.678 217 HA GLU 30 HA GLU 30 3.063 -5.206 -6.076 218 HB2 GLU 30 1HB GLU 30 4.780 -2.836 -6.627 219 HB3 GLU 30 2HB GLU 30 5.103 -4.307 -7.535 220 HG2 GLU 30 1HG GLU 30 2.609 -4.299 -8.086 221 HG3 GLU 30 2HG GLU 30 2.619 -2.635 -7.506 222 H GLN 31 H GLN 31 4.813 -4.938 -3.446 223 HA GLN 31 HA GLN 31 6.920 -6.798 -4.325 224 HB2 GLN 31 1HB GLN 31 6.819 -4.769 -2.114 225 HB3 GLN 31 2HB GLN 31 7.934 -6.126 -2.030 226 HG2 GLN 31 1HG GLN 31 9.001 -5.437 -4.075 227 HG3 GLN 31 2HG GLN 31 7.820 -4.146 -4.292 228 HE21 GLN 31 2HE2 GLN 31 9.300 -1.954 -1.994 229 HE22 GLN 31 1HE2 GLN 31 7.861 -2.366 -2.856 230 H LEU 32 H LEU 32 4.282 -6.280 -2.104 231 HA LEU 32 HA LEU 32 4.743 -8.391 -0.323 232 HB2 LEU 32 1HB LEU 32 1.986 -7.597 -1.169 233 HB3 LEU 32 2HB LEU 32 2.563 -8.084 0.424 234 HG LEU 32 HG LEU 32 2.977 -5.432 -0.946 235 HD11 LEU 32 1HD1 LEU 32 0.808 -6.122 0.333 236 HD12 LEU 32 2HD1 LEU 32 1.538 -4.540 0.607 237 HD13 LEU 32 3HD1 LEU 32 1.802 -5.845 1.764 238 HD21 LEU 32 3HD2 LEU 32 4.750 -6.719 0.798 239 HD22 LEU 32 1HD2 LEU 32 3.890 -5.530 1.776 240 HD23 LEU 32 2HD2 LEU 32 4.751 -5.020 0.323 241 H GLY 33 H GLY 33 3.438 -8.336 -3.556 242 HA2 GLY 33 1HA GLY 33 3.837 -11.069 -4.000 243 HA3 GLY 33 2HA GLY 33 2.154 -10.847 -3.548 244 HA PRO 34 HA PRO 34 2.978 -9.981 -8.154 245 HB2 PRO 34 2HB PRO 34 3.610 -12.106 -8.759 246 HB3 PRO 34 1HB PRO 34 1.899 -12.253 -9.177 247 HG2 PRO 34 1HG PRO 34 1.380 -13.354 -7.200 248 HG3 PRO 34 2HG PRO 34 3.032 -13.945 -7.459 249 HD2 PRO 34 1HD PRO 34 2.270 -12.706 -5.175 250 HD3 PRO 34 2HD PRO 34 3.914 -12.570 -5.832 251 H TRP 35 H TRP 35 0.326 -11.246 -6.260 252 HA TRP 35 HA TRP 35 -1.761 -10.704 -8.088 253 HB2 TRP 35 1HB TRP 35 -3.192 -10.720 -5.968 254 HB3 TRP 35 2HB TRP 35 -2.278 -12.183 -6.322 255 HD1 TRP 35 HD TRP 35 -0.889 -13.110 -4.380 256 HE1 TRP 35 1HE TRP 35 -0.048 -12.204 -2.123 257 HE3 TRP 35 3HE TRP 35 -2.395 -8.247 -4.846 258 HZ2 TRP 35 2HZ TRP 35 -0.026 -9.752 -0.724 259 HZ3 TRP 35 3HZ TRP 35 -1.926 -6.685 -3.003 260 HH2 TRP 35 HH TRP 35 -0.767 -7.425 -0.985 261 H ALA 36 H ALA 36 0.182 -8.664 -6.172 262 HA ALA 36 HA ALA 36 -1.482 -6.560 -5.506 263 HB1 ALA 36 3HB ALA 36 0.576 -5.129 -5.750 264 HB2 ALA 36 1HB ALA 36 0.752 -6.546 -4.715 265 HB3 ALA 36 2HB ALA 36 1.405 -6.564 -6.353 266 H SER 37 H SER 37 0.051 -7.289 -8.602 267 HA SER 37 HA SER 37 -0.548 -4.907 -9.937 268 HB2 SER 37 1HB SER 37 0.932 -6.888 -10.690 269 HB3 SER 37 2HB SER 37 -0.563 -7.584 -11.315 270 HG SER 37 HG SER 37 0.200 -6.425 -12.983 271 H LEU 38 H LEU 38 -2.635 -7.252 -8.734 272 HA LEU 38 HA LEU 38 -4.712 -6.908 -10.718 273 HB2 LEU 38 1HB LEU 38 -4.804 -8.256 -8.023 274 HB3 LEU 38 2HB LEU 38 -6.042 -8.353 -9.273 275 HG LEU 38 HG LEU 38 -3.243 -9.332 -9.749 276 HD11 LEU 38 1HD1 LEU 38 -3.924 -10.552 -7.828 277 HD12 LEU 38 2HD1 LEU 38 -4.167 -11.604 -9.222 278 HD13 LEU 38 3HD1 LEU 38 -5.546 -10.795 -8.477 279 HD21 LEU 38 3HD2 LEU 38 -4.956 -10.896 -11.158 280 HD22 LEU 38 1HD2 LEU 38 -4.163 -9.455 -11.793 281 HD23 LEU 38 2HD2 LEU 38 -5.810 -9.353 -11.171 282 H TYR 39 H TYR 39 -3.682 -5.350 -7.859 283 HA TYR 39 HA TYR 39 -6.257 -3.935 -7.648 284 HB2 TYR 39 1HB TYR 39 -4.098 -4.246 -5.551 285 HB3 TYR 39 2HB TYR 39 -5.619 -3.385 -5.340 286 HD1 TYR 39 1HD TYR 39 -4.080 -6.706 -5.742 287 HD2 TYR 39 2HD TYR 39 -7.665 -4.565 -4.928 288 HE1 TYR 39 1HE TYR 39 -5.149 -8.792 -4.997 289 HE2 TYR 39 2HE TYR 39 -8.744 -6.644 -4.180 290 HH TYR 39 HH TYR 39 -6.940 -9.636 -3.850 291 H ARG 40 H ARG 40 -2.790 -3.602 -7.967 292 HA ARG 40 HA ARG 40 -2.214 -1.031 -7.463 293 HB2 ARG 40 1HB ARG 40 -0.498 -1.128 -9.058 294 HB3 ARG 40 2HB ARG 40 -0.771 -2.809 -8.620 295 HG2 ARG 40 1HG ARG 40 -2.161 -3.077 -10.640 296 HG3 ARG 40 2HG ARG 40 -1.780 -1.413 -11.089 297 HD2 ARG 40 1HD ARG 40 0.469 -3.267 -10.495 298 HD3 ARG 40 2HD ARG 40 -0.391 -3.461 -12.023 299 HE ARG 40 HE ARG 40 0.403 -0.754 -11.506 300 HH11 ARG 40 2HH1 ARG 40 1.431 -3.832 -12.767 301 HH12 ARG 40 1HH1 ARG 40 2.650 -3.151 -13.793 302 HH21 ARG 40 1HH2 ARG 40 2.976 -0.884 -13.840 303 HH22 ARG 40 2HH2 ARG 40 2.005 0.154 -12.853 304 H ASP 41 H ASP 41 -3.899 -2.148 -10.382 305 HA ASP 41 HA ASP 41 -4.147 0.181 -11.791 306 HB2 ASP 41 1HB ASP 41 -6.105 -2.079 -11.405 307 HB3 ASP 41 2HB ASP 41 -6.429 -0.742 -12.505 308 H ARG 42 H ARG 42 -6.159 -0.882 -9.073 309 HA ARG 42 HA ARG 42 -7.918 1.338 -9.137 310 HB2 ARG 42 1HB ARG 42 -7.240 -0.370 -6.740 311 HB3 ARG 42 2HB ARG 42 -8.702 0.573 -6.994 312 HG2 ARG 42 1HG ARG 42 -9.090 -0.924 -9.033 313 HG3 ARG 42 2HG ARG 42 -7.860 -1.973 -8.325 314 HD2 ARG 42 1HD ARG 42 -9.159 -2.316 -6.367 315 HD3 ARG 42 2HD ARG 42 -10.285 -1.035 -6.812 316 HE ARG 42 HE ARG 42 -10.356 -3.754 -7.672 317 HH11 ARG 42 2HH1 ARG 42 -11.108 -0.491 -8.625 318 HH12 ARG 42 1HH1 ARG 42 -12.356 -0.962 -9.729 319 HH21 ARG 42 1HH2 ARG 42 -12.863 -3.179 -10.011 320 HH22 ARG 42 2HH2 ARG 42 -11.998 -4.387 -9.123 321 H PHE 43 H PHE 43 -4.883 0.696 -7.474 322 HA PHE 43 HA PHE 43 -4.914 2.892 -5.724 323 HB2 PHE 43 1HB PHE 43 -2.660 1.298 -6.937 324 HB3 PHE 43 2HB PHE 43 -2.376 2.604 -5.792 325 HD1 PHE 43 2HD PHE 43 -3.861 -0.732 -6.230 326 HD2 PHE 43 1HD PHE 43 -2.787 2.323 -3.468 327 HE1 PHE 43 2HE PHE 43 -4.219 -2.297 -4.365 328 HE2 PHE 43 1HE PHE 43 -3.142 0.763 -1.599 329 HZ PHE 43 HZ PHE 43 -3.860 -1.550 -2.046 330 H LEU 44 H LEU 44 -3.656 2.544 -9.017 331 HA LEU 44 HA LEU 44 -2.604 5.184 -9.167 332 HB2 LEU 44 1HB LEU 44 -3.293 3.126 -11.247 333 HB3 LEU 44 2HB LEU 44 -2.629 4.706 -11.660 334 HG LEU 44 HG LEU 44 -0.797 3.253 -11.700 335 HD11 LEU 44 1HD1 LEU 44 -0.743 4.409 -8.919 336 HD12 LEU 44 2HD1 LEU 44 -0.459 5.343 -10.388 337 HD13 LEU 44 3HD1 LEU 44 0.636 4.031 -9.952 338 HD21 LEU 44 3HD2 LEU 44 -1.974 1.379 -10.555 339 HD22 LEU 44 1HD2 LEU 44 -1.612 2.155 -9.014 340 HD23 LEU 44 2HD2 LEU 44 -0.298 1.592 -10.047 341 H SER 45 H SER 45 -5.478 3.697 -10.671 342 HA SER 45 HA SER 45 -6.557 5.953 -11.835 343 HB2 SER 45 1HB SER 45 -7.341 3.421 -11.788 344 HB3 SER 45 2HB SER 45 -8.421 4.016 -10.527 345 HG SER 45 HG SER 45 -9.615 4.750 -12.078 346 H GLU 46 H GLU 46 -7.006 4.766 -8.524 347 HA GLU 46 HA GLU 46 -8.623 7.078 -7.835 348 HB2 GLU 46 1HB GLU 46 -7.723 4.653 -6.286 349 HB3 GLU 46 2HB GLU 46 -8.589 5.986 -5.535 350 HG2 GLU 46 1HG GLU 46 -9.604 4.298 -7.811 351 HG3 GLU 46 2HG GLU 46 -10.075 4.142 -6.120 352 H ARG 47 H ARG 47 -5.606 7.048 -8.496 353 HA ARG 47 HA ARG 47 -3.627 7.860 -7.610 354 HB2 ARG 47 1HB ARG 47 -5.646 10.023 -6.991 355 HB3 ARG 47 2HB ARG 47 -3.903 10.255 -6.969 356 HG2 ARG 47 1HG ARG 47 -5.539 9.454 -9.367 357 HG3 ARG 47 2HG ARG 47 -4.897 11.065 -9.041 358 HD2 ARG 47 1HD ARG 47 -2.606 9.914 -8.939 359 HD3 ARG 47 2HD ARG 47 -3.408 8.547 -9.710 360 HE ARG 47 HE ARG 47 -3.817 11.048 -11.068 361 HH11 ARG 47 2HH1 ARG 47 -1.725 8.288 -10.711 362 HH12 ARG 47 1HH1 ARG 47 -1.025 8.452 -12.288 363 HH21 ARG 47 1HH2 ARG 47 -1.695 10.151 -13.671 364 HH22 ARG 47 2HH2 ARG 47 -2.903 11.273 -13.145 365 H VAL 48 H VAL 48 -4.704 6.061 -5.781 366 HA VAL 48 HA VAL 48 -4.993 7.114 -3.174 367 HB VAL 48 HB VAL 48 -4.102 4.346 -3.996 368 HG11 VAL 48 1HG1 VAL 48 -3.842 3.932 -1.831 369 HG12 VAL 48 2HG1 VAL 48 -4.309 5.587 -1.432 370 HG13 VAL 48 3HG1 VAL 48 -5.539 4.330 -1.568 371 HG21 VAL 48 3HG2 VAL 48 -6.863 5.348 -3.306 372 HG22 VAL 48 1HG2 VAL 48 -6.281 5.026 -4.940 373 HG23 VAL 48 2HG2 VAL 48 -6.424 3.706 -3.779 374 H ASN 49 H ASN 49 -3.358 8.506 -2.616 375 HA ASN 49 HA ASN 49 -0.589 7.743 -2.898 376 HB2 ASN 49 1HB ASN 49 -0.079 9.911 -1.957 377 HB3 ASN 49 2HB ASN 49 -1.360 10.101 -3.150 378 HD21 ASN 49 2HD2 ASN 49 -3.652 11.422 -0.930 379 HD22 ASN 49 1HD2 ASN 49 -3.249 10.968 -2.548 380 H GLY 50 H GLY 50 0.880 7.998 -0.941 381 HA2 GLY 50 1HA GLY 50 0.411 6.011 0.909 382 HA3 GLY 50 2HA GLY 50 1.529 7.343 1.164 383 H ARG 51 H ARG 51 0.091 9.511 1.531 384 HA ARG 51 HA ARG 51 -0.827 9.408 4.116 385 HB2 ARG 51 1HB ARG 51 -0.374 11.420 2.454 386 HB3 ARG 51 2HB ARG 51 -2.120 11.351 2.256 387 HG2 ARG 51 1HG ARG 51 -0.679 11.680 4.880 388 HG3 ARG 51 2HG ARG 51 -1.436 12.977 3.953 389 HD2 ARG 51 1HD ARG 51 -3.554 11.463 4.101 390 HD3 ARG 51 2HD ARG 51 -2.702 10.728 5.459 391 HE ARG 51 HE ARG 51 -3.270 12.550 6.696 392 HH11 ARG 51 2HH1 ARG 51 -3.296 13.458 3.335 393 HH12 ARG 51 1HH1 ARG 51 -3.860 15.067 3.639 394 HH21 ARG 51 1HH2 ARG 51 -4.266 15.754 5.787 395 HH22 ARG 51 2HH2 ARG 51 -4.013 14.666 7.110 396 H LEU 52 H LEU 52 -2.607 8.819 1.150 397 HA LEU 52 HA LEU 52 -5.162 8.678 2.478 398 HB2 LEU 52 1HB LEU 52 -5.049 9.441 0.186 399 HB3 LEU 52 2HB LEU 52 -4.301 7.925 -0.311 400 HG LEU 52 HG LEU 52 -6.345 6.724 0.073 401 HD11 LEU 52 1HD1 LEU 52 -8.344 7.729 0.917 402 HD12 LEU 52 2HD1 LEU 52 -7.584 9.319 0.970 403 HD13 LEU 52 3HD1 LEU 52 -7.042 8.047 2.064 404 HD21 LEU 52 3HD2 LEU 52 -5.961 8.486 -1.940 405 HD22 LEU 52 1HD2 LEU 52 -7.497 9.061 -1.293 406 HD23 LEU 52 2HD2 LEU 52 -7.339 7.390 -1.834 407 H LEU 53 H LEU 53 -2.708 6.434 1.353 408 HA LEU 53 HA LEU 53 -4.184 4.056 1.578 409 HB2 LEU 53 1HB LEU 53 -1.781 4.597 0.626 410 HB3 LEU 53 2HB LEU 53 -1.283 4.083 2.236 411 HG LEU 53 HG LEU 53 -2.877 2.407 0.298 412 HD11 LEU 53 1HD1 LEU 53 -0.194 3.043 0.157 413 HD12 LEU 53 2HD1 LEU 53 -0.980 1.650 -0.586 414 HD13 LEU 53 3HD1 LEU 53 -0.214 1.490 0.994 415 HD21 LEU 53 3HD2 LEU 53 -1.647 1.796 2.982 416 HD22 LEU 53 1HD2 LEU 53 -2.292 0.583 1.876 417 HD23 LEU 53 2HD2 LEU 53 -3.362 1.800 2.571 418 H LEU 54 H LEU 54 -2.215 5.822 3.928 419 HA LEU 54 HA LEU 54 -2.338 3.939 6.006 420 HB2 LEU 54 1HB LEU 54 -1.873 6.888 5.881 421 HB3 LEU 54 2HB LEU 54 -2.055 6.095 7.444 422 HG LEU 54 HG LEU 54 0.040 5.400 5.386 423 HD11 LEU 54 1HD1 LEU 54 1.473 6.370 7.373 424 HD12 LEU 54 2HD1 LEU 54 0.001 7.293 7.678 425 HD13 LEU 54 3HD1 LEU 54 0.813 7.419 6.118 426 HD21 LEU 54 3HD2 LEU 54 0.392 3.570 6.587 427 HD22 LEU 54 1HD2 LEU 54 -0.952 3.995 7.647 428 HD23 LEU 54 2HD2 LEU 54 0.677 4.560 8.019 429 H THR 55 H THR 55 -4.421 6.711 5.251 430 HA THR 55 HA THR 55 -6.113 6.572 7.459 431 HB THR 55 HB THR 55 -7.763 7.779 6.123 432 HG1 THR 55 1HG THR 55 -6.042 7.400 3.889 433 HG21 THR 55 3HG2 THR 55 -6.007 9.497 5.085 434 HG22 THR 55 1HG2 THR 55 -4.895 8.544 6.066 435 HG23 THR 55 2HG2 THR 55 -6.267 9.352 6.823 436 H LEU 56 H LEU 56 -6.310 4.907 4.338 437 HA LEU 56 HA LEU 56 -8.797 3.705 4.632 438 HB2 LEU 56 1HB LEU 56 -6.322 2.659 3.267 439 HB3 LEU 56 2HB LEU 56 -7.934 1.971 3.079 440 HG LEU 56 HG LEU 56 -7.256 4.810 2.333 441 HD11 LEU 56 1HD1 LEU 56 -6.657 4.192 0.227 442 HD12 LEU 56 2HD1 LEU 56 -7.602 2.705 0.271 443 HD13 LEU 56 3HD1 LEU 56 -6.054 2.790 1.110 444 HD21 LEU 56 3HD2 LEU 56 -9.488 3.123 1.263 445 HD22 LEU 56 1HD2 LEU 56 -9.335 4.880 1.301 446 HD23 LEU 56 2HD2 LEU 56 -9.661 3.991 2.790 447 H THR 57 H THR 57 -9.530 1.828 5.548 448 HA THR 57 HA THR 57 -7.629 0.367 7.263 449 HB THR 57 HB THR 57 -9.305 0.104 8.961 450 HG1 THR 57 1HG THR 57 -11.176 1.775 7.769 451 HG21 THR 57 3HG2 THR 57 -9.819 2.538 9.490 452 HG22 THR 57 1HG2 THR 57 -9.020 2.932 7.969 453 HG23 THR 57 2HG2 THR 57 -8.120 2.129 9.255 454 H GLU 58 H GLU 58 -9.048 -1.701 8.122 455 HA GLU 58 HA GLU 58 -9.141 -3.448 5.933 456 HB2 GLU 58 1HB GLU 58 -8.732 -4.243 8.197 457 HB3 GLU 58 2HB GLU 58 -10.344 -3.743 8.690 458 HG2 GLU 58 1HG GLU 58 -11.273 -5.365 7.042 459 HG3 GLU 58 2HG GLU 58 -9.630 -5.939 6.765 460 H GLU 59 H GLU 59 -11.455 -1.238 7.118 461 HA GLU 59 HA GLU 59 -13.758 -2.620 6.054 462 HB2 GLU 59 1HB GLU 59 -14.522 -1.354 7.777 463 HB3 GLU 59 2HB GLU 59 -13.259 -0.146 7.587 464 HG2 GLU 59 1HG GLU 59 -14.462 1.087 6.092 465 HG3 GLU 59 2HG GLU 59 -15.379 -0.303 5.514 466 H GLU 60 H GLU 60 -12.101 0.448 5.299 467 HA GLU 60 HA GLU 60 -13.491 1.151 3.031 468 HB2 GLU 60 1HB GLU 60 -10.557 1.521 3.648 469 HB3 GLU 60 2HB GLU 60 -11.383 2.309 2.311 470 HG2 GLU 60 1HG GLU 60 -11.431 3.939 3.923 471 HG3 GLU 60 2HG GLU 60 -12.998 3.165 4.150 472 H PHE 61 H PHE 61 -10.530 -0.823 3.177 473 HA PHE 61 HA PHE 61 -10.327 -1.364 0.447 474 HB2 PHE 61 1HB PHE 61 -9.443 -2.977 2.844 475 HB3 PHE 61 2HB PHE 61 -9.016 -3.390 1.187 476 HD1 PHE 61 1HD PHE 61 -8.434 -0.792 0.007 477 HD2 PHE 61 2HD PHE 61 -7.485 -2.312 3.868 478 HE1 PHE 61 1HE PHE 61 -6.501 0.726 0.127 479 HE2 PHE 61 2HE PHE 61 -5.552 -0.796 3.994 480 HZ PHE 61 HZ PHE 61 -5.058 0.727 2.122 481 H SER 62 H SER 62 -12.379 -2.736 2.892 482 HA SER 62 HA SER 62 -13.118 -5.054 1.364 483 HB2 SER 62 1HB SER 62 -13.259 -5.240 3.748 484 HB3 SER 62 2HB SER 62 -14.266 -3.796 3.862 485 HG SER 62 HG SER 62 -15.972 -4.916 3.255 486 H ARG 63 H ARG 63 -14.328 -1.803 1.795 487 HA ARG 63 HA ARG 63 -16.740 -2.397 0.261 488 HB2 ARG 63 1HB ARG 63 -17.619 -0.407 1.041 489 HB3 ARG 63 2HB ARG 63 -16.572 -0.870 2.376 490 HG2 ARG 63 1HG ARG 63 -14.818 0.588 1.054 491 HG3 ARG 63 2HG ARG 63 -16.282 1.334 0.411 492 HD2 ARG 63 1HD ARG 63 -17.053 1.794 2.678 493 HD3 ARG 63 2HD ARG 63 -15.614 1.015 3.335 494 HE ARG 63 HE ARG 63 -14.488 2.963 2.989 495 HH11 ARG 63 2HH1 ARG 63 -17.263 2.908 0.888 496 HH12 ARG 63 1HH1 ARG 63 -17.003 4.512 0.287 497 HH21 ARG 63 1HH2 ARG 63 -15.222 5.743 1.036 498 HH22 ARG 63 2HH2 ARG 63 -14.134 5.075 2.205 499 H ALA 64 H ALA 64 -17.346 -0.841 -1.490 500 HA ALA 64 HA ALA 64 -15.404 -0.841 -3.518 501 HB1 ALA 64 3HB ALA 64 -17.422 1.118 -4.053 502 HB2 ALA 64 1HB ALA 64 -17.187 -0.470 -4.784 503 HB3 ALA 64 2HB ALA 64 -18.155 -0.308 -3.319 504 HA PRO 65 HA PRO 65 -15.557 0.660 -5.532 505 HB2 PRO 65 2HB PRO 65 -14.610 2.425 -6.657 506 HB3 PRO 65 1HB PRO 65 -13.251 1.305 -6.812 507 HG2 PRO 65 1HG PRO 65 -12.091 2.270 -5.048 508 HG3 PRO 65 2HG PRO 65 -12.923 3.698 -5.689 509 HD2 PRO 65 1HD PRO 65 -13.147 2.918 -3.106 510 HD3 PRO 65 2HD PRO 65 -14.468 3.721 -3.979 511 H TYR 66 H TYR 66 -12.322 0.521 -4.044 512 HA TYR 66 HA TYR 66 -11.232 -1.677 -5.172 513 HB2 TYR 66 1HB TYR 66 -11.158 -1.498 -2.182 514 HB3 TYR 66 2HB TYR 66 -9.859 -1.880 -3.308 515 HD1 TYR 66 1HD TYR 66 -9.071 0.055 -4.852 516 HD2 TYR 66 2HD TYR 66 -11.311 0.639 -1.282 517 HE1 TYR 66 1HE TYR 66 -8.294 2.386 -4.753 518 HE2 TYR 66 2HE TYR 66 -10.541 2.972 -1.174 519 HH TYR 66 HH TYR 66 -9.228 4.521 -2.073 520 H THR 67 H THR 67 -13.558 -1.737 -2.482 521 HA THR 67 HA THR 67 -14.751 -3.456 -1.550 522 HB THR 67 HB THR 67 -15.945 -2.992 -3.715 523 HG1 THR 67 1HG THR 67 -16.977 -5.212 -3.636 524 HG21 THR 67 3HG2 THR 67 -14.436 -3.756 -5.365 525 HG22 THR 67 1HG2 THR 67 -15.780 -4.896 -5.395 526 HG23 THR 67 2HG2 THR 67 -14.270 -5.333 -4.595 527 H ILE 68 H ILE 68 -11.875 -3.962 -1.910 528 HA ILE 68 HA ILE 68 -10.985 -6.289 -2.847 529 HB ILE 68 HB ILE 68 -10.557 -5.418 0.014 530 HG12 ILE 68 1HG1 ILE 68 -9.160 -4.704 -2.567 531 HG13 ILE 68 2HG1 ILE 68 -9.959 -3.614 -1.438 532 HG21 ILE 68 1HG2 ILE 68 -8.705 -7.063 -1.688 533 HG22 ILE 68 2HG2 ILE 68 -8.619 -6.763 0.047 534 HG23 ILE 68 3HG2 ILE 68 -9.899 -7.783 -0.609 535 HD11 ILE 68 3HD1 ILE 68 -8.037 -4.851 0.102 536 HD12 ILE 68 1HD1 ILE 68 -7.243 -4.610 -1.454 537 HD13 ILE 68 2HD1 ILE 68 -7.943 -3.236 -0.598 538 H GLU 69 H GLU 69 -12.472 -7.919 -3.129 539 HA GLU 69 HA GLU 69 -13.912 -8.990 -0.853 540 HB2 GLU 69 1HB GLU 69 -13.806 -10.032 -3.687 541 HB3 GLU 69 2HB GLU 69 -14.972 -10.473 -2.449 542 HG2 GLU 69 1HG GLU 69 -15.658 -8.037 -2.421 543 HG3 GLU 69 2HG GLU 69 -14.697 -7.855 -3.888 544 H ASN 70 H ASN 70 -11.187 -9.170 -0.455 545 HA ASN 70 HA ASN 70 -10.884 -12.027 -0.146 546 HB2 ASN 70 1HB ASN 70 -9.939 -11.676 -2.384 547 HB3 ASN 70 2HB ASN 70 -8.862 -10.439 -1.743 548 HD21 ASN 70 2HD2 ASN 70 -8.155 -14.380 -0.901 549 HD22 ASN 70 1HD2 ASN 70 -9.753 -13.833 -1.264 550 H SER 71 H SER 71 -10.579 -12.025 1.993 551 HA SER 71 HA SER 71 -9.430 -9.987 3.511 552 HB2 SER 71 1HB SER 71 -9.716 -12.941 4.092 553 HB3 SER 71 2HB SER 71 -9.185 -11.758 5.287 554 HG SER 71 HG SER 71 -11.573 -12.368 5.017 555 H SER 72 H SER 72 -7.972 -13.084 2.512 556 HA SER 72 HA SER 72 -5.509 -13.009 3.537 557 HB2 SER 72 1HB SER 72 -6.548 -14.526 1.646 558 HB3 SER 72 2HB SER 72 -5.633 -13.460 0.580 559 HG SER 72 HG SER 72 -4.018 -14.712 1.058 560 H HIS 73 H HIS 73 -6.415 -11.200 0.608 561 HA HIS 73 HA HIS 73 -3.942 -9.940 0.216 562 HB2 HIS 73 1HB HIS 73 -5.589 -9.963 -1.547 563 HB3 HIS 73 2HB HIS 73 -6.734 -9.070 -0.550 564 HD1 HIS 73 1HD HIS 73 -6.896 -7.150 -2.258 565 HD2 HIS 73 2HD HIS 73 -3.059 -7.790 -0.798 566 HE1 HIS 73 1HE HIS 73 -5.562 -5.142 -2.973 567 HE2 HIS 73 2HE HIS 73 -3.223 -5.592 -2.152 568 H ARG 74 H ARG 74 -6.844 -8.835 1.943 569 HA ARG 74 HA ARG 74 -5.933 -6.304 2.667 570 HB2 ARG 74 1HB ARG 74 -7.974 -8.192 3.731 571 HB3 ARG 74 2HB ARG 74 -7.500 -6.843 4.756 572 HG2 ARG 74 1HG ARG 74 -7.938 -5.457 2.561 573 HG3 ARG 74 2HG ARG 74 -8.958 -6.843 2.169 574 HD2 ARG 74 1HD ARG 74 -9.135 -5.280 4.740 575 HD3 ARG 74 2HD ARG 74 -10.146 -4.977 3.328 576 HE ARG 74 HE ARG 74 -10.426 -7.105 5.227 577 HH11 ARG 74 2HH1 ARG 74 -11.025 -6.132 1.939 578 HH12 ARG 74 1HH1 ARG 74 -12.348 -7.228 1.718 579 HH21 ARG 74 1HH2 ARG 74 -12.998 -8.603 3.431 580 HH22 ARG 74 2HH2 ARG 74 -12.167 -8.552 4.949 581 H ARG 75 H ARG 75 -5.554 -9.417 4.313 582 HA ARG 75 HA ARG 75 -4.353 -8.500 6.658 583 HB2 ARG 75 1HB ARG 75 -5.172 -10.828 6.229 584 HB3 ARG 75 2HB ARG 75 -3.743 -11.097 5.240 585 HG2 ARG 75 1HG ARG 75 -3.361 -10.133 8.023 586 HG3 ARG 75 2HG ARG 75 -3.832 -11.815 7.770 587 HD2 ARG 75 1HD ARG 75 -1.910 -12.194 6.372 588 HD3 ARG 75 2HD ARG 75 -1.482 -10.485 6.430 589 HE ARG 75 HE ARG 75 -1.584 -11.582 9.040 590 HH11 ARG 75 2HH1 ARG 75 0.369 -11.509 6.159 591 HH12 ARG 75 1HH1 ARG 75 1.855 -11.800 7.002 592 HH21 ARG 75 1HH2 ARG 75 1.851 -12.061 9.278 593 HH22 ARG 75 2HH2 ARG 75 0.365 -11.966 10.161 594 H VAL 76 H VAL 76 -2.959 -9.257 3.507 595 HA VAL 76 HA VAL 76 -0.245 -9.023 4.278 596 HB VAL 76 HB VAL 76 -1.472 -8.603 1.549 597 HG11 VAL 76 1HG1 VAL 76 1.131 -9.633 1.355 598 HG12 VAL 76 2HG1 VAL 76 0.570 -8.025 0.893 599 HG13 VAL 76 3HG1 VAL 76 1.213 -8.305 2.512 600 HG21 VAL 76 3HG2 VAL 76 -0.118 -11.098 2.521 601 HG22 VAL 76 1HG2 VAL 76 -1.845 -10.833 2.761 602 HG23 VAL 76 2HG2 VAL 76 -1.179 -10.885 1.129 603 H ILE 77 H ILE 77 -2.431 -6.739 2.635 604 HA ILE 77 HA ILE 77 -0.637 -4.602 2.463 605 HB ILE 77 HB ILE 77 -3.647 -4.560 2.686 606 HG12 ILE 77 1HG1 ILE 77 -1.869 -4.230 0.263 607 HG13 ILE 77 2HG1 ILE 77 -2.624 -5.752 0.725 608 HG21 ILE 77 1HG2 ILE 77 -3.067 -2.278 1.402 609 HG22 ILE 77 2HG2 ILE 77 -3.286 -2.378 3.149 610 HG23 ILE 77 3HG2 ILE 77 -1.661 -2.388 2.462 611 HD11 ILE 77 3HD1 ILE 77 -3.695 -4.032 -1.020 612 HD12 ILE 77 1HD1 ILE 77 -4.651 -5.120 -0.014 613 HD13 ILE 77 2HD1 ILE 77 -4.427 -3.439 0.471 614 H LEU 78 H LEU 78 -3.290 -4.998 4.820 615 HA LEU 78 HA LEU 78 -2.640 -2.875 6.472 616 HB2 LEU 78 1HB LEU 78 -3.990 -5.499 6.993 617 HB3 LEU 78 2HB LEU 78 -3.739 -4.332 8.289 618 HG LEU 78 HG LEU 78 -5.205 -3.619 5.762 619 HD11 LEU 78 1HD1 LEU 78 -6.122 -5.627 7.202 620 HD12 LEU 78 2HD1 LEU 78 -7.199 -4.385 6.565 621 HD13 LEU 78 3HD1 LEU 78 -6.677 -4.320 8.248 622 HD21 LEU 78 3HD2 LEU 78 -5.721 -1.676 6.793 623 HD22 LEU 78 1HD2 LEU 78 -4.243 -2.020 7.691 624 HD23 LEU 78 2HD2 LEU 78 -5.813 -2.418 8.390 625 H THR 79 H THR 79 -1.849 -6.297 7.108 626 HA THR 79 HA THR 79 -0.259 -6.054 9.295 627 HB THR 79 HB THR 79 0.193 -7.877 6.927 628 HG1 THR 79 1HG THR 79 -1.196 -9.178 7.926 629 HG21 THR 79 3HG2 THR 79 1.585 -7.646 9.548 630 HG22 THR 79 1HG2 THR 79 2.223 -8.102 7.969 631 HG23 THR 79 2HG2 THR 79 1.278 -9.259 8.905 632 H GLU 80 H GLU 80 1.074 -6.113 5.981 633 HA GLU 80 HA GLU 80 3.667 -5.379 6.638 634 HB2 GLU 80 1HB GLU 80 2.058 -4.935 4.128 635 HB3 GLU 80 2HB GLU 80 3.756 -4.498 4.248 636 HG2 GLU 80 1HG GLU 80 2.978 -7.259 5.001 637 HG3 GLU 80 2HG GLU 80 2.967 -6.828 3.292 638 H LEU 81 H LEU 81 0.874 -3.340 5.901 639 HA LEU 81 HA LEU 81 2.158 -0.868 5.811 640 HB2 LEU 81 1HB LEU 81 -0.584 -1.832 6.238 641 HB3 LEU 81 2HB LEU 81 -0.245 -0.239 6.912 642 HG LEU 81 HG LEU 81 0.336 -0.914 4.040 643 HD11 LEU 81 1HD1 LEU 81 -2.177 -1.059 5.063 644 HD12 LEU 81 2HD1 LEU 81 -1.790 -0.608 3.403 645 HD13 LEU 81 3HD1 LEU 81 -2.080 0.643 4.611 646 HD21 LEU 81 3HD2 LEU 81 -0.162 1.697 5.467 647 HD22 LEU 81 1HD2 LEU 81 0.235 1.496 3.760 648 HD23 LEU 81 2HD2 LEU 81 1.419 1.070 4.997 649 H GLU 82 H GLU 82 1.164 -2.828 8.533 650 HA GLU 82 HA GLU 82 1.450 -0.816 10.519 651 HB2 GLU 82 1HB GLU 82 0.123 -2.823 10.924 652 HB3 GLU 82 2HB GLU 82 1.555 -3.828 10.751 653 HG2 GLU 82 1HG GLU 82 1.292 -3.690 13.038 654 HG3 GLU 82 2HG GLU 82 2.495 -2.445 12.707 655 H ARG 83 H ARG 83 3.665 -2.906 8.872 656 HA ARG 83 HA ARG 83 5.788 -2.627 10.794 657 HB2 ARG 83 1HB ARG 83 5.864 -3.615 7.937 658 HB3 ARG 83 2HB ARG 83 7.165 -3.769 9.110 659 HG2 ARG 83 1HG ARG 83 5.264 -4.974 10.506 660 HG3 ARG 83 2HG ARG 83 4.618 -5.265 8.889 661 HD2 ARG 83 1HD ARG 83 5.970 -7.130 9.367 662 HD3 ARG 83 2HD ARG 83 6.928 -6.123 8.282 663 HE ARG 83 HE ARG 83 7.750 -5.300 10.704 664 HH11 ARG 83 2HH1 ARG 83 7.380 -8.467 9.308 665 HH12 ARG 83 1HH1 ARG 83 8.663 -9.170 10.237 666 HH21 ARG 83 1HH2 ARG 83 9.834 -7.887 11.730 667 HH22 ARG 83 2HH2 ARG 83 9.441 -6.213 11.933 668 H VAL 84 H VAL 84 5.312 -1.469 7.453 669 HA VAL 84 HA VAL 84 7.553 0.165 7.295 670 HB VAL 84 HB VAL 84 6.267 1.461 5.574 671 HG11 VAL 84 1HG1 VAL 84 5.916 -0.569 4.074 672 HG12 VAL 84 2HG1 VAL 84 7.522 -0.358 4.773 673 HG13 VAL 84 3HG1 VAL 84 6.407 -1.538 5.462 674 HG21 VAL 84 3HG2 VAL 84 4.065 -0.492 6.235 675 HG22 VAL 84 1HG2 VAL 84 4.052 1.228 6.624 676 HG23 VAL 84 2HG2 VAL 84 4.052 0.704 4.940 677 H ARG 85 H ARG 85 4.312 0.894 8.515 678 HA ARG 85 HA ARG 85 4.854 3.653 9.002 679 HB2 ARG 85 1HB ARG 85 2.686 3.798 9.765 680 HB3 ARG 85 2HB ARG 85 2.573 2.376 8.737 681 HG2 ARG 85 1HG ARG 85 2.920 0.976 10.779 682 HG3 ARG 85 2HG ARG 85 2.788 2.453 11.735 683 HD2 ARG 85 1HD ARG 85 0.669 1.572 9.791 684 HD3 ARG 85 2HD ARG 85 0.676 1.076 11.483 685 HE ARG 85 HE ARG 85 0.038 3.694 10.432 686 HH11 ARG 85 2HH1 ARG 85 0.918 1.812 13.226 687 HH12 ARG 85 1HH1 ARG 85 0.292 2.962 14.360 688 HH21 ARG 85 1HH2 ARG 85 -0.681 4.898 13.614 689 HH22 ARG 85 2HH2 ARG 85 -0.790 5.216 11.916 690 H SER 86 H SER 86 4.820 0.738 11.011 691 HA SER 86 HA SER 86 6.069 2.299 13.175 692 HB2 SER 86 1HB SER 86 3.791 1.118 13.549 693 HB3 SER 86 2HB SER 86 4.740 -0.368 13.592 694 HG SER 86 HG SER 86 5.283 1.892 15.216 695 H GLY 87 H GLY 87 8.170 1.952 13.406 696 HA2 GLY 87 1HA GLY 87 9.217 -0.758 13.306 697 HA3 GLY 87 2HA GLY 87 9.839 0.337 12.080 698 HA PRO 88 HA PRO 88 12.813 1.988 14.838 699 HB2 PRO 88 2HB PRO 88 13.340 3.561 13.249 700 HB3 PRO 88 1HB PRO 88 12.671 4.671 14.451 701 HG2 PRO 88 1HG PRO 88 10.616 4.796 13.378 702 HG3 PRO 88 2HG PRO 88 11.684 4.584 11.978 703 HD2 PRO 88 1HD PRO 88 9.597 2.934 12.481 704 HD3 PRO 88 2HD PRO 88 11.089 2.375 11.699 705 H SER 89 H SER 89 9.538 2.709 15.310 706 HA SER 89 HA SER 89 9.630 4.518 17.455 707 HB2 SER 89 1HB SER 89 7.582 3.828 16.133 708 HB3 SER 89 2HB SER 89 7.560 2.345 17.088 709 HG SER 89 HG SER 89 6.970 3.449 18.828 710 H SER 90 H SER 90 8.723 3.806 19.699 711 HA SER 90 HA SER 90 10.524 1.708 20.682 712 HB2 SER 90 1HB SER 90 9.198 4.051 22.051 713 HB3 SER 90 2HB SER 90 10.032 2.776 22.938 714 HG SER 90 HG SER 90 11.385 3.985 20.819 715 H GLY 91 H GLY 91 9.720 0.414 22.557 716 HA2 GLY 91 1HA GLY 91 7.333 -0.935 21.843 717 HA3 GLY 91 2HA GLY 91 8.264 -1.196 23.311 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.350 5.567 -19.366 2 HA2 GLY 1 1HA GLY 1 8.750 3.701 -17.821 3 HA3 GLY 1 2HA GLY 1 9.867 3.056 -19.015 4 H SER 2 H SER 2 11.414 5.150 -19.691 5 HA SER 2 HA SER 2 13.299 5.293 -17.673 6 HB2 SER 2 1HB SER 2 13.809 5.812 -20.016 7 HB3 SER 2 2HB SER 2 12.838 7.280 -19.912 8 HG SER 2 HG SER 2 15.395 6.812 -19.068 9 H SER 3 H SER 3 13.773 6.702 -16.043 10 HA SER 3 HA SER 3 12.298 9.154 -15.690 11 HB2 SER 3 1HB SER 3 10.741 7.400 -14.807 12 HB3 SER 3 2HB SER 3 11.971 6.971 -13.618 13 HG SER 3 HG SER 3 10.316 9.195 -13.749 14 H GLY 4 H GLY 4 12.903 10.145 -13.470 15 HA2 GLY 4 1HA GLY 4 15.759 10.230 -13.357 16 HA3 GLY 4 2HA GLY 4 14.650 11.111 -12.317 17 H SER 5 H SER 5 13.544 9.757 -10.617 18 HA SER 5 HA SER 5 15.525 8.454 -9.060 19 HB2 SER 5 1HB SER 5 13.795 9.635 -7.905 20 HB3 SER 5 2HB SER 5 12.532 8.721 -8.731 21 HG SER 5 HG SER 5 13.145 8.084 -6.489 22 H SER 6 H SER 6 15.804 6.308 -8.548 23 HA SER 6 HA SER 6 14.620 4.416 -10.444 24 HB2 SER 6 1HB SER 6 17.034 4.376 -10.376 25 HB3 SER 6 2HB SER 6 17.026 4.197 -8.622 26 HG SER 6 HG SER 6 17.209 2.155 -9.223 27 H GLY 7 H GLY 7 13.232 2.862 -9.850 28 HA2 GLY 7 1HA GLY 7 12.004 2.929 -7.303 29 HA3 GLY 7 2HA GLY 7 11.749 1.702 -8.535 30 H GLU 8 H GLU 8 13.559 2.596 -5.696 31 HA GLU 8 HA GLU 8 15.057 0.107 -5.692 32 HB2 GLU 8 1HB GLU 8 15.071 2.603 -4.061 33 HB3 GLU 8 2HB GLU 8 15.693 1.131 -3.328 34 HG2 GLU 8 1HG GLU 8 16.660 2.337 -5.911 35 HG3 GLU 8 2HG GLU 8 17.459 2.482 -4.346 36 H HIS 9 H HIS 9 15.146 -0.996 -3.421 37 HA HIS 9 HA HIS 9 12.442 -1.220 -2.300 38 HB2 HIS 9 1HB HIS 9 12.578 -3.651 -2.303 39 HB3 HIS 9 2HB HIS 9 12.756 -3.039 -3.945 40 HD1 HIS 9 1HD HIS 9 14.197 -5.415 -1.729 41 HD2 HIS 9 2HD HIS 9 15.703 -2.828 -4.610 42 HE1 HIS 9 1HE HIS 9 16.464 -6.323 -2.329 43 HE2 HIS 9 2HE HIS 9 17.391 -4.694 -4.011 44 H GLY 10 H GLY 10 13.022 -0.183 -0.412 45 HA2 GLY 10 1HA GLY 10 13.876 -1.582 1.753 46 HA3 GLY 10 2HA GLY 10 15.373 -0.970 1.063 47 H LEU 11 H LEU 11 14.717 1.528 0.235 48 HA LEU 11 HA LEU 11 14.774 3.003 2.634 49 HB2 LEU 11 1HB LEU 11 15.085 4.859 1.328 50 HB3 LEU 11 2HB LEU 11 15.615 3.580 0.237 51 HG LEU 11 HG LEU 11 14.333 5.104 -1.046 52 HD11 LEU 11 1HD1 LEU 11 13.787 3.026 -1.853 53 HD12 LEU 11 2HD1 LEU 11 12.191 3.661 -1.455 54 HD13 LEU 11 3HD1 LEU 11 12.989 2.533 -0.359 55 HD21 LEU 11 3HD2 LEU 11 11.846 4.822 0.523 56 HD22 LEU 11 1HD2 LEU 11 12.475 6.203 -0.376 57 HD23 LEU 11 2HD2 LEU 11 13.111 5.832 1.226 58 H LEU 12 H LEU 12 12.200 1.548 1.106 59 HA LEU 12 HA LEU 12 10.114 3.371 1.277 60 HB2 LEU 12 1HB LEU 12 10.252 0.392 1.535 61 HB3 LEU 12 2HB LEU 12 8.723 1.240 1.757 62 HG LEU 12 HG LEU 12 10.387 1.446 -0.747 63 HD11 LEU 12 1HD1 LEU 12 8.541 -0.062 -1.666 64 HD12 LEU 12 2HD1 LEU 12 8.224 -0.487 0.015 65 HD13 LEU 12 3HD1 LEU 12 9.804 -0.817 -0.694 66 HD21 LEU 12 3HD2 LEU 12 8.573 3.179 -0.007 67 HD22 LEU 12 1HD2 LEU 12 7.451 1.930 -0.546 68 HD23 LEU 12 2HD2 LEU 12 8.629 2.602 -1.673 69 H VAL 13 H VAL 13 10.937 0.887 3.706 70 HA VAL 13 HA VAL 13 9.208 1.732 5.701 71 HB VAL 13 HB VAL 13 10.602 0.542 7.285 72 HG11 VAL 13 1HG1 VAL 13 10.903 -1.100 4.817 73 HG12 VAL 13 2HG1 VAL 13 10.299 -1.557 6.411 74 HG13 VAL 13 3HG1 VAL 13 9.287 -0.607 5.322 75 HG21 VAL 13 3HG2 VAL 13 12.791 -0.361 6.639 76 HG22 VAL 13 1HG2 VAL 13 12.679 0.489 5.098 77 HG23 VAL 13 2HG2 VAL 13 12.776 1.403 6.603 78 H HIS 14 H HIS 14 12.458 2.857 4.923 79 HA HIS 14 HA HIS 14 12.959 4.417 7.174 80 HB2 HIS 14 1HB HIS 14 14.540 3.856 5.250 81 HB3 HIS 14 2HB HIS 14 13.793 5.193 4.381 82 HD1 HIS 14 1HD HIS 14 14.837 7.412 4.731 83 HD2 HIS 14 2HD HIS 14 15.742 4.767 7.804 84 HE1 HIS 14 1HE HIS 14 16.468 8.630 6.208 85 HE2 HIS 14 2HE HIS 14 17.067 6.978 8.013 86 H LYS 15 H LYS 15 11.644 5.508 4.040 87 HA LYS 15 HA LYS 15 10.895 8.064 5.110 88 HB2 LYS 15 1HB LYS 15 11.499 8.043 2.818 89 HB3 LYS 15 2HB LYS 15 10.426 6.694 2.468 90 HG2 LYS 15 1HG LYS 15 8.527 8.282 3.126 91 HG3 LYS 15 2HG LYS 15 9.730 9.564 2.966 92 HD2 LYS 15 1HD LYS 15 10.199 8.505 0.651 93 HD3 LYS 15 2HD LYS 15 8.628 7.730 0.867 94 HE2 LYS 15 1HE LYS 15 7.482 9.701 0.712 95 HE3 LYS 15 2HE LYS 15 8.819 10.655 1.354 96 HZ1 LYS 15 3HZ LYS 15 9.978 10.350 -0.761 97 HZ2 LYS 15 1HZ LYS 15 8.488 11.123 -0.976 98 HZ3 LYS 15 2HZ LYS 15 8.657 9.488 -1.373 99 H ALA 16 H ALA 16 9.034 8.630 6.039 100 HA ALA 16 HA ALA 16 7.152 6.875 6.982 101 HB1 ALA 16 3HB ALA 16 5.631 9.069 6.818 102 HB2 ALA 16 1HB ALA 16 6.911 8.874 8.015 103 HB3 ALA 16 2HB ALA 16 7.213 9.798 6.543 104 H VAL 17 H VAL 17 5.235 6.028 6.294 105 HA VAL 17 HA VAL 17 4.846 5.682 3.514 106 HB VAL 17 HB VAL 17 2.986 5.083 5.817 107 HG11 VAL 17 1HG1 VAL 17 2.440 3.386 3.660 108 HG12 VAL 17 2HG1 VAL 17 1.418 4.675 4.296 109 HG13 VAL 17 3HG1 VAL 17 2.542 5.009 2.978 110 HG21 VAL 17 3HG2 VAL 17 4.183 2.835 4.435 111 HG22 VAL 17 1HG2 VAL 17 5.399 3.909 5.125 112 HG23 VAL 17 2HG2 VAL 17 4.151 3.212 6.157 113 H ASP 18 H ASP 18 3.496 7.888 5.866 114 HA ASP 18 HA ASP 18 1.313 8.780 4.273 115 HB2 ASP 18 1HB ASP 18 0.846 10.239 5.992 116 HB3 ASP 18 2HB ASP 18 1.816 9.048 6.855 117 H LYS 19 H LYS 19 4.510 9.036 3.701 118 HA LYS 19 HA LYS 19 4.261 11.678 2.419 119 HB2 LYS 19 1HB LYS 19 6.526 10.285 3.753 120 HB3 LYS 19 2HB LYS 19 6.906 11.286 2.357 121 HG2 LYS 19 1HG LYS 19 7.173 12.703 4.188 122 HG3 LYS 19 2HG LYS 19 5.590 13.127 3.533 123 HD2 LYS 19 1HD LYS 19 4.455 12.024 5.264 124 HD3 LYS 19 2HD LYS 19 5.891 11.115 5.743 125 HE2 LYS 19 1HE LYS 19 5.540 12.816 7.374 126 HE3 LYS 19 2HE LYS 19 6.937 13.289 6.409 127 HZ1 LYS 19 3HZ LYS 19 4.353 14.274 5.507 128 HZ2 LYS 19 1HZ LYS 19 5.857 15.049 5.542 129 HZ3 LYS 19 2HZ LYS 19 4.934 14.929 6.954 130 H TRP 20 H TRP 20 4.130 8.466 1.762 131 HA TRP 20 HA TRP 20 5.737 8.239 -0.560 132 HB2 TRP 20 1HB TRP 20 3.303 6.679 0.327 133 HB3 TRP 20 2HB TRP 20 4.314 6.240 -1.047 134 HD1 TRP 20 HD TRP 20 6.531 7.516 1.576 135 HE1 TRP 20 1HE TRP 20 7.615 5.585 2.888 136 HE3 TRP 20 3HE TRP 20 3.559 3.677 -0.026 137 HZ2 TRP 20 2HZ TRP 20 7.258 2.802 3.201 138 HZ3 TRP 20 3HZ TRP 20 3.997 1.411 0.827 139 HH2 TRP 20 HH TRP 20 5.809 0.985 2.407 140 H THR 21 H THR 21 4.730 7.734 -2.748 141 HA THR 21 HA THR 21 2.577 9.666 -3.318 142 HB THR 21 HB THR 21 3.658 9.927 -5.591 143 HG1 THR 21 1HG THR 21 5.743 8.549 -4.227 144 HG21 THR 21 3HG2 THR 21 3.853 11.601 -3.763 145 HG22 THR 21 1HG2 THR 21 5.249 11.579 -4.840 146 HG23 THR 21 2HG2 THR 21 5.347 10.817 -3.252 147 H THR 22 H THR 22 1.456 9.215 -5.426 148 HA THR 22 HA THR 22 0.167 6.799 -5.421 149 HB THR 22 HB THR 22 0.634 8.124 -8.063 150 HG1 THR 22 1HG THR 22 -1.251 9.230 -6.298 151 HG21 THR 22 3HG2 THR 22 -1.791 7.715 -8.284 152 HG22 THR 22 1HG2 THR 22 -1.803 7.009 -6.669 153 HG23 THR 22 2HG2 THR 22 -0.889 6.234 -7.963 154 H GLU 23 H GLU 23 3.336 7.462 -6.540 155 HA GLU 23 HA GLU 23 3.482 5.106 -8.231 156 HB2 GLU 23 1HB GLU 23 4.723 7.416 -8.505 157 HB3 GLU 23 2HB GLU 23 5.890 6.678 -7.416 158 HG2 GLU 23 1HG GLU 23 5.777 4.696 -9.112 159 HG3 GLU 23 2HG GLU 23 5.169 5.937 -10.207 160 H GLU 24 H GLU 24 5.155 6.274 -5.305 161 HA GLU 24 HA GLU 24 6.518 3.893 -4.748 162 HB2 GLU 24 1HB GLU 24 5.573 6.034 -2.835 163 HB3 GLU 24 2HB GLU 24 6.753 4.788 -2.453 164 HG2 GLU 24 1HG GLU 24 8.204 5.679 -4.250 165 HG3 GLU 24 2HG GLU 24 7.045 6.985 -4.487 166 H VAL 25 H VAL 25 3.347 5.048 -3.680 167 HA VAL 25 HA VAL 25 2.689 3.140 -1.813 168 HB VAL 25 HB VAL 25 0.892 4.417 -3.877 169 HG11 VAL 25 1HG1 VAL 25 0.168 2.886 -1.381 170 HG12 VAL 25 2HG1 VAL 25 -0.962 3.814 -2.369 171 HG13 VAL 25 3HG1 VAL 25 -0.155 2.397 -3.044 172 HG21 VAL 25 3HG2 VAL 25 0.921 6.236 -2.595 173 HG22 VAL 25 1HG2 VAL 25 0.559 5.289 -1.152 174 HG23 VAL 25 2HG2 VAL 25 2.231 5.496 -1.674 175 H VAL 26 H VAL 26 2.126 2.954 -5.327 176 HA VAL 26 HA VAL 26 1.092 0.314 -5.269 177 HB VAL 26 HB VAL 26 2.316 1.855 -7.561 178 HG11 VAL 26 1HG1 VAL 26 2.369 -0.515 -8.034 179 HG12 VAL 26 2HG1 VAL 26 0.677 -0.677 -7.563 180 HG13 VAL 26 3HG1 VAL 26 1.108 0.253 -8.998 181 HG21 VAL 26 3HG2 VAL 26 0.309 2.818 -7.924 182 HG22 VAL 26 1HG2 VAL 26 -0.586 1.382 -7.430 183 HG23 VAL 26 2HG2 VAL 26 0.058 2.482 -6.212 184 H LEU 27 H LEU 27 4.310 1.636 -5.466 185 HA LEU 27 HA LEU 27 5.636 -0.655 -6.452 186 HB2 LEU 27 1HB LEU 27 6.426 1.840 -5.058 187 HB3 LEU 27 2HB LEU 27 7.574 0.502 -5.037 188 HG LEU 27 HG LEU 27 6.464 1.867 -7.488 189 HD11 LEU 27 1HD1 LEU 27 8.814 2.295 -5.818 190 HD12 LEU 27 2HD1 LEU 27 8.077 3.341 -7.031 191 HD13 LEU 27 3HD1 LEU 27 9.197 2.070 -7.525 192 HD21 LEU 27 3HD2 LEU 27 8.273 -0.508 -7.145 193 HD22 LEU 27 1HD2 LEU 27 8.248 0.459 -8.620 194 HD23 LEU 27 2HD2 LEU 27 6.791 -0.383 -8.094 195 H TRP 28 H TRP 28 5.288 0.575 -3.124 196 HA TRP 28 HA TRP 28 6.570 -1.536 -1.831 197 HB2 TRP 28 1HB TRP 28 6.188 0.299 -0.460 198 HB3 TRP 28 2HB TRP 28 4.519 0.479 -0.995 199 HD1 TRP 28 HD TRP 28 6.677 -1.607 1.404 200 HE1 TRP 28 1HE TRP 28 5.135 -2.663 3.174 201 HE3 TRP 28 3HE TRP 28 2.151 -0.242 -0.543 202 HZ2 TRP 28 2HZ TRP 28 2.367 -2.888 3.678 203 HZ3 TRP 28 3HZ TRP 28 0.104 -0.918 0.644 204 HH2 TRP 28 HH TRP 28 0.212 -2.214 2.710 205 H LEU 29 H LEU 29 3.219 -1.182 -2.866 206 HA LEU 29 HA LEU 29 2.337 -3.605 -1.618 207 HB2 LEU 29 1HB LEU 29 0.665 -2.005 -1.936 208 HB3 LEU 29 2HB LEU 29 1.148 -1.702 -3.604 209 HG LEU 29 HG LEU 29 0.361 -4.186 -3.946 210 HD11 LEU 29 1HD1 LEU 29 -0.900 -3.367 -1.361 211 HD12 LEU 29 2HD1 LEU 29 -0.175 -4.909 -1.813 212 HD13 LEU 29 3HD1 LEU 29 -1.745 -4.448 -2.470 213 HD21 LEU 29 3HD2 LEU 29 -1.809 -2.162 -3.556 214 HD22 LEU 29 1HD2 LEU 29 -1.617 -3.364 -4.832 215 HD23 LEU 29 2HD2 LEU 29 -0.583 -1.935 -4.805 216 H GLU 30 H GLU 30 3.788 -2.762 -4.645 217 HA GLU 30 HA GLU 30 3.009 -5.179 -6.002 218 HB2 GLU 30 1HB GLU 30 4.702 -2.813 -6.638 219 HB3 GLU 30 2HB GLU 30 5.000 -4.293 -7.538 220 HG2 GLU 30 1HG GLU 30 2.393 -4.231 -7.863 221 HG3 GLU 30 2HG GLU 30 2.623 -2.512 -7.546 222 H GLN 31 H GLN 31 4.764 -4.975 -3.417 223 HA GLN 31 HA GLN 31 6.859 -6.825 -4.349 224 HB2 GLN 31 1HB GLN 31 6.868 -4.769 -2.156 225 HB3 GLN 31 2HB GLN 31 7.995 -6.119 -2.139 226 HG2 GLN 31 1HG GLN 31 8.916 -5.424 -4.261 227 HG3 GLN 31 2HG GLN 31 7.733 -4.122 -4.375 228 HE21 GLN 31 2HE2 GLN 31 9.390 -1.977 -2.152 229 HE22 GLN 31 1HE2 GLN 31 7.888 -2.367 -2.912 230 H LEU 32 H LEU 32 4.198 -6.324 -2.215 231 HA LEU 32 HA LEU 32 4.741 -8.367 -0.337 232 HB2 LEU 32 1HB LEU 32 1.958 -7.608 -1.113 233 HB3 LEU 32 2HB LEU 32 2.603 -8.012 0.477 234 HG LEU 32 HG LEU 32 2.915 -5.424 -1.033 235 HD11 LEU 32 1HD1 LEU 32 2.019 -4.767 1.398 236 HD12 LEU 32 2HD1 LEU 32 1.312 -6.376 1.260 237 HD13 LEU 32 3HD1 LEU 32 0.949 -5.147 0.049 238 HD21 LEU 32 3HD2 LEU 32 4.671 -4.827 0.213 239 HD22 LEU 32 1HD2 LEU 32 4.870 -6.551 0.527 240 HD23 LEU 32 2HD2 LEU 32 3.991 -5.541 1.676 241 H GLY 33 H GLY 33 3.488 -8.394 -3.566 242 HA2 GLY 33 1HA GLY 33 3.812 -11.137 -3.931 243 HA3 GLY 33 2HA GLY 33 2.132 -10.878 -3.484 244 HA PRO 34 HA PRO 34 2.978 -10.130 -8.111 245 HB2 PRO 34 2HB PRO 34 3.618 -12.265 -8.666 246 HB3 PRO 34 1HB PRO 34 1.909 -12.427 -9.086 247 HG2 PRO 34 1HG PRO 34 1.387 -13.485 -7.087 248 HG3 PRO 34 2HG PRO 34 3.041 -14.077 -7.327 249 HD2 PRO 34 1HD PRO 34 2.267 -12.789 -5.075 250 HD3 PRO 34 2HD PRO 34 3.912 -12.664 -5.728 251 H TRP 35 H TRP 35 0.346 -11.236 -6.132 252 HA TRP 35 HA TRP 35 -1.743 -10.761 -8.009 253 HB2 TRP 35 1HB TRP 35 -3.198 -10.795 -5.922 254 HB3 TRP 35 2HB TRP 35 -2.241 -12.243 -6.225 255 HD1 TRP 35 HD TRP 35 -0.855 -13.091 -4.242 256 HE1 TRP 35 1HE TRP 35 -0.097 -12.121 -1.982 257 HE3 TRP 35 3HE TRP 35 -2.514 -8.290 -4.821 258 HZ2 TRP 35 2HZ TRP 35 -0.190 -9.649 -0.623 259 HZ3 TRP 35 3HZ TRP 35 -2.140 -6.685 -2.994 260 HH2 TRP 35 HH TRP 35 -1.003 -7.352 -0.939 261 H ALA 36 H ALA 36 0.231 -8.706 -6.183 262 HA ALA 36 HA ALA 36 -1.459 -6.597 -5.511 263 HB1 ALA 36 3HB ALA 36 0.607 -6.290 -4.609 264 HB2 ALA 36 1HB ALA 36 1.446 -6.865 -6.050 265 HB3 ALA 36 2HB ALA 36 0.763 -5.239 -6.016 266 H SER 37 H SER 37 0.127 -7.364 -8.569 267 HA SER 37 HA SER 37 -0.436 -4.977 -9.926 268 HB2 SER 37 1HB SER 37 1.021 -7.084 -10.585 269 HB3 SER 37 2HB SER 37 -0.460 -7.576 -11.406 270 HG SER 37 HG SER 37 0.701 -6.382 -12.856 271 H LEU 38 H LEU 38 -2.518 -7.416 -8.840 272 HA LEU 38 HA LEU 38 -4.548 -7.033 -10.862 273 HB2 LEU 38 1HB LEU 38 -4.662 -8.477 -8.217 274 HB3 LEU 38 2HB LEU 38 -5.900 -8.531 -9.471 275 HG LEU 38 HG LEU 38 -3.099 -9.461 -10.014 276 HD11 LEU 38 1HD1 LEU 38 -3.886 -10.659 -8.028 277 HD12 LEU 38 2HD1 LEU 38 -3.779 -11.719 -9.433 278 HD13 LEU 38 3HD1 LEU 38 -5.350 -11.126 -8.894 279 HD21 LEU 38 3HD2 LEU 38 -5.701 -9.494 -11.372 280 HD22 LEU 38 1HD2 LEU 38 -4.820 -11.022 -11.419 281 HD23 LEU 38 2HD2 LEU 38 -4.068 -9.551 -12.038 282 H TYR 39 H TYR 39 -3.562 -5.411 -8.078 283 HA TYR 39 HA TYR 39 -6.187 -4.091 -7.847 284 HB2 TYR 39 1HB TYR 39 -4.085 -4.385 -5.691 285 HB3 TYR 39 2HB TYR 39 -5.651 -3.600 -5.514 286 HD1 TYR 39 1HD TYR 39 -3.911 -6.813 -5.811 287 HD2 TYR 39 2HD TYR 39 -7.683 -4.907 -5.322 288 HE1 TYR 39 1HE TYR 39 -4.904 -8.963 -5.148 289 HE2 TYR 39 2HE TYR 39 -8.687 -7.052 -4.656 290 HH TYR 39 HH TYR 39 -8.334 -9.362 -4.768 291 H ARG 40 H ARG 40 -2.740 -3.720 -8.166 292 HA ARG 40 HA ARG 40 -2.164 -1.168 -7.557 293 HB2 ARG 40 1HB ARG 40 -0.511 -1.155 -9.269 294 HB3 ARG 40 2HB ARG 40 -0.669 -2.823 -8.733 295 HG2 ARG 40 1HG ARG 40 -2.103 -3.288 -10.679 296 HG3 ARG 40 2HG ARG 40 -1.859 -1.628 -11.227 297 HD2 ARG 40 1HD ARG 40 0.516 -3.337 -10.648 298 HD3 ARG 40 2HD ARG 40 -0.373 -3.582 -12.151 299 HE ARG 40 HE ARG 40 1.282 -1.318 -11.452 300 HH11 ARG 40 2HH1 ARG 40 -1.206 -2.566 -13.543 301 HH12 ARG 40 1HH1 ARG 40 -0.909 -1.413 -14.801 302 HH21 ARG 40 1HH2 ARG 40 0.735 0.162 -14.550 303 HH22 ARG 40 2HH2 ARG 40 1.683 0.205 -13.102 304 H ASP 41 H ASP 41 -3.911 -2.182 -10.474 305 HA ASP 41 HA ASP 41 -4.172 0.185 -11.814 306 HB2 ASP 41 1HB ASP 41 -5.181 -2.224 -12.243 307 HB3 ASP 41 2HB ASP 41 -6.621 -1.501 -11.531 308 H ARG 42 H ARG 42 -6.234 -0.960 -9.153 309 HA ARG 42 HA ARG 42 -7.957 1.255 -9.088 310 HB2 ARG 42 1HB ARG 42 -7.159 -0.427 -6.711 311 HB3 ARG 42 2HB ARG 42 -8.657 0.467 -6.934 312 HG2 ARG 42 1HG ARG 42 -8.883 -1.106 -9.037 313 HG3 ARG 42 2HG ARG 42 -7.807 -2.133 -8.087 314 HD2 ARG 42 1HD ARG 42 -9.353 -2.302 -6.323 315 HD3 ARG 42 2HD ARG 42 -10.310 -0.949 -6.925 316 HE ARG 42 HE ARG 42 -10.578 -3.677 -7.661 317 HH11 ARG 42 2HH1 ARG 42 -10.790 -0.439 -8.922 318 HH12 ARG 42 1HH1 ARG 42 -11.925 -0.856 -10.162 319 HH21 ARG 42 1HH2 ARG 42 -12.655 -3.018 -10.370 320 HH22 ARG 42 2HH2 ARG 42 -12.073 -4.239 -9.290 321 H PHE 43 H PHE 43 -4.894 0.621 -7.443 322 HA PHE 43 HA PHE 43 -4.882 2.833 -5.734 323 HB2 PHE 43 1HB PHE 43 -2.687 1.195 -6.977 324 HB3 PHE 43 2HB PHE 43 -2.320 2.568 -5.938 325 HD1 PHE 43 2HD PHE 43 -4.243 -0.612 -6.009 326 HD2 PHE 43 1HD PHE 43 -2.218 2.289 -3.643 327 HE1 PHE 43 2HE PHE 43 -4.507 -2.048 -4.028 328 HE2 PHE 43 1HE PHE 43 -2.479 0.858 -1.659 329 HZ PHE 43 HZ PHE 43 -3.625 -1.313 -1.849 330 H LEU 44 H LEU 44 -3.512 2.479 -8.997 331 HA LEU 44 HA LEU 44 -2.568 5.136 -9.189 332 HB2 LEU 44 1HB LEU 44 -3.234 3.058 -11.258 333 HB3 LEU 44 2HB LEU 44 -2.588 4.644 -11.676 334 HG LEU 44 HG LEU 44 -0.744 3.198 -11.713 335 HD11 LEU 44 1HD1 LEU 44 -0.654 4.359 -8.938 336 HD12 LEU 44 2HD1 LEU 44 -0.459 5.320 -10.403 337 HD13 LEU 44 3HD1 LEU 44 0.697 4.043 -10.027 338 HD21 LEU 44 3HD2 LEU 44 -1.804 1.294 -10.601 339 HD22 LEU 44 1HD2 LEU 44 -1.648 2.114 -9.047 340 HD23 LEU 44 2HD2 LEU 44 -0.204 1.623 -9.933 341 H SER 45 H SER 45 -5.426 3.593 -10.667 342 HA SER 45 HA SER 45 -6.544 5.824 -11.843 343 HB2 SER 45 1HB SER 45 -7.287 3.287 -11.794 344 HB3 SER 45 2HB SER 45 -8.361 3.854 -10.515 345 HG SER 45 HG SER 45 -8.975 3.938 -12.936 346 H GLU 46 H GLU 46 -7.063 4.610 -8.543 347 HA GLU 46 HA GLU 46 -8.682 6.911 -7.859 348 HB2 GLU 46 1HB GLU 46 -7.722 4.532 -6.269 349 HB3 GLU 46 2HB GLU 46 -8.665 5.838 -5.566 350 HG2 GLU 46 1HG GLU 46 -9.568 4.135 -7.876 351 HG3 GLU 46 2HG GLU 46 -10.005 3.858 -6.191 352 H ARG 47 H ARG 47 -5.500 6.562 -8.295 353 HA ARG 47 HA ARG 47 -3.588 7.487 -7.437 354 HB2 ARG 47 1HB ARG 47 -5.596 9.706 -7.014 355 HB3 ARG 47 2HB ARG 47 -3.855 9.917 -6.884 356 HG2 ARG 47 1HG ARG 47 -4.156 10.591 -9.030 357 HG3 ARG 47 2HG ARG 47 -3.906 8.866 -9.307 358 HD2 ARG 47 1HD ARG 47 -5.797 9.270 -10.561 359 HD3 ARG 47 2HD ARG 47 -6.492 8.730 -9.033 360 HE ARG 47 HE ARG 47 -6.433 11.373 -8.678 361 HH11 ARG 47 2HH1 ARG 47 -7.505 9.449 -11.374 362 HH12 ARG 47 1HH1 ARG 47 -8.706 10.592 -11.880 363 HH21 ARG 47 1HH2 ARG 47 -8.991 12.546 -10.720 364 HH22 ARG 47 2HH2 ARG 47 -8.010 12.885 -9.334 365 H VAL 48 H VAL 48 -4.608 5.762 -5.594 366 HA VAL 48 HA VAL 48 -5.049 6.921 -3.038 367 HB VAL 48 HB VAL 48 -4.155 4.128 -3.767 368 HG11 VAL 48 1HG1 VAL 48 -3.748 3.889 -1.588 369 HG12 VAL 48 2HG1 VAL 48 -4.466 5.454 -1.203 370 HG13 VAL 48 3HG1 VAL 48 -5.489 4.024 -1.348 371 HG21 VAL 48 3HG2 VAL 48 -6.288 3.634 -4.203 372 HG22 VAL 48 1HG2 VAL 48 -6.858 4.478 -2.763 373 HG23 VAL 48 2HG2 VAL 48 -6.573 5.373 -4.255 374 H ASN 49 H ASN 49 -3.360 8.420 -2.734 375 HA ASN 49 HA ASN 49 -0.613 7.640 -2.809 376 HB2 ASN 49 1HB ASN 49 -0.127 9.842 -2.033 377 HB3 ASN 49 2HB ASN 49 -1.495 9.992 -3.133 378 HD21 ASN 49 2HD2 ASN 49 -3.804 10.917 -0.638 379 HD22 ASN 49 1HD2 ASN 49 -3.627 10.156 -2.179 380 H GLY 50 H GLY 50 0.840 7.682 -0.947 381 HA2 GLY 50 1HA GLY 50 0.346 5.862 0.988 382 HA3 GLY 50 2HA GLY 50 1.432 7.221 1.243 383 H ARG 51 H ARG 51 -0.057 9.367 1.526 384 HA ARG 51 HA ARG 51 -0.997 9.367 4.080 385 HB2 ARG 51 1HB ARG 51 -0.698 11.295 2.294 386 HB3 ARG 51 2HB ARG 51 -2.434 11.084 2.105 387 HG2 ARG 51 1HG ARG 51 -0.987 11.752 4.660 388 HG3 ARG 51 2HG ARG 51 -1.957 12.854 3.682 389 HD2 ARG 51 1HD ARG 51 -3.800 11.002 4.053 390 HD3 ARG 51 2HD ARG 51 -2.814 10.633 5.467 391 HE ARG 51 HE ARG 51 -3.680 12.488 6.456 392 HH11 ARG 51 2HH1 ARG 51 -3.918 12.876 3.005 393 HH12 ARG 51 1HH1 ARG 51 -4.757 14.388 3.101 394 HH21 ARG 51 1HH2 ARG 51 -5.250 15.300 5.145 395 HH22 ARG 51 2HH2 ARG 51 -4.785 14.479 6.596 396 H LEU 52 H LEU 52 -2.932 8.835 1.149 397 HA LEU 52 HA LEU 52 -5.376 8.449 2.565 398 HB2 LEU 52 1HB LEU 52 -5.370 9.186 0.259 399 HB3 LEU 52 2HB LEU 52 -4.564 7.699 -0.240 400 HG LEU 52 HG LEU 52 -6.555 6.413 0.325 401 HD11 LEU 52 1HD1 LEU 52 -7.917 9.031 0.915 402 HD12 LEU 52 2HD1 LEU 52 -7.286 7.958 2.164 403 HD13 LEU 52 3HD1 LEU 52 -8.571 7.403 1.091 404 HD21 LEU 52 3HD2 LEU 52 -7.820 8.515 -1.270 405 HD22 LEU 52 1HD2 LEU 52 -7.490 6.829 -1.667 406 HD23 LEU 52 2HD2 LEU 52 -6.220 8.041 -1.840 407 H LEU 53 H LEU 53 -2.782 6.363 1.509 408 HA LEU 53 HA LEU 53 -4.087 3.886 1.711 409 HB2 LEU 53 1HB LEU 53 -1.753 4.502 0.772 410 HB3 LEU 53 2HB LEU 53 -1.203 4.253 2.428 411 HG LEU 53 HG LEU 53 -2.455 2.208 0.600 412 HD11 LEU 53 1HD1 LEU 53 -0.388 1.535 0.130 413 HD12 LEU 53 2HD1 LEU 53 0.099 1.598 1.824 414 HD13 LEU 53 3HD1 LEU 53 0.167 3.055 0.832 415 HD21 LEU 53 3HD2 LEU 53 -1.998 2.230 3.537 416 HD22 LEU 53 1HD2 LEU 53 -1.693 0.735 2.653 417 HD23 LEU 53 2HD2 LEU 53 -3.290 1.481 2.597 418 H LEU 54 H LEU 54 -2.289 5.777 4.110 419 HA LEU 54 HA LEU 54 -2.507 3.874 6.198 420 HB2 LEU 54 1HB LEU 54 -1.984 6.835 6.184 421 HB3 LEU 54 2HB LEU 54 -2.006 5.878 7.664 422 HG LEU 54 HG LEU 54 -0.140 5.336 5.361 423 HD11 LEU 54 1HD1 LEU 54 1.578 6.475 6.628 424 HD12 LEU 54 2HD1 LEU 54 0.416 6.877 7.892 425 HD13 LEU 54 3HD1 LEU 54 0.249 7.582 6.284 426 HD21 LEU 54 3HD2 LEU 54 0.846 4.504 7.879 427 HD22 LEU 54 1HD2 LEU 54 0.372 3.506 6.504 428 HD23 LEU 54 2HD2 LEU 54 -0.814 3.923 7.741 429 H THR 55 H THR 55 -4.379 6.783 5.397 430 HA THR 55 HA THR 55 -6.125 6.783 7.555 431 HB THR 55 HB THR 55 -7.660 8.075 6.187 432 HG1 THR 55 1HG THR 55 -6.106 7.033 4.051 433 HG21 THR 55 3HG2 THR 55 -6.091 9.604 6.749 434 HG22 THR 55 1HG2 THR 55 -5.725 9.560 5.025 435 HG23 THR 55 2HG2 THR 55 -4.759 8.612 6.157 436 H LEU 56 H LEU 56 -6.210 4.902 4.585 437 HA LEU 56 HA LEU 56 -8.796 3.922 4.658 438 HB2 LEU 56 1HB LEU 56 -6.210 2.750 3.704 439 HB3 LEU 56 2HB LEU 56 -7.707 1.825 3.611 440 HG LEU 56 HG LEU 56 -7.426 4.541 2.352 441 HD11 LEU 56 1HD1 LEU 56 -7.302 2.650 0.328 442 HD12 LEU 56 2HD1 LEU 56 -6.179 2.059 1.552 443 HD13 LEU 56 3HD1 LEU 56 -5.988 3.683 0.892 444 HD21 LEU 56 3HD2 LEU 56 -9.247 3.618 0.912 445 HD22 LEU 56 1HD2 LEU 56 -9.690 3.824 2.607 446 HD23 LEU 56 2HD2 LEU 56 -9.310 2.218 1.984 447 H THR 57 H THR 57 -9.693 1.952 5.436 448 HA THR 57 HA THR 57 -8.275 0.794 7.745 449 HB THR 57 HB THR 57 -10.558 0.487 8.796 450 HG1 THR 57 1HG THR 57 -11.435 1.291 6.520 451 HG21 THR 57 3HG2 THR 57 -9.796 3.374 8.378 452 HG22 THR 57 1HG2 THR 57 -8.890 2.274 9.416 453 HG23 THR 57 2HG2 THR 57 -10.572 2.654 9.789 454 H GLU 58 H GLU 58 -9.224 -1.352 8.408 455 HA GLU 58 HA GLU 58 -9.055 -3.187 6.332 456 HB2 GLU 58 1HB GLU 58 -8.740 -3.725 8.731 457 HB3 GLU 58 2HB GLU 58 -10.474 -3.567 8.974 458 HG2 GLU 58 1HG GLU 58 -10.925 -5.462 7.625 459 HG3 GLU 58 2HG GLU 58 -9.261 -5.528 7.049 460 H GLU 59 H GLU 59 -11.706 -1.253 7.317 461 HA GLU 59 HA GLU 59 -13.744 -2.941 6.166 462 HB2 GLU 59 1HB GLU 59 -14.762 -1.727 7.793 463 HB3 GLU 59 2HB GLU 59 -13.653 -0.374 7.625 464 HG2 GLU 59 1HG GLU 59 -14.907 0.640 6.008 465 HG3 GLU 59 2HG GLU 59 -15.614 -0.875 5.450 466 H GLU 60 H GLU 60 -12.699 0.392 5.428 467 HA GLU 60 HA GLU 60 -13.943 0.787 3.050 468 HB2 GLU 60 1HB GLU 60 -11.151 1.606 3.853 469 HB3 GLU 60 2HB GLU 60 -11.947 2.197 2.401 470 HG2 GLU 60 1HG GLU 60 -13.311 2.478 5.035 471 HG3 GLU 60 2HG GLU 60 -12.006 3.583 4.605 472 H PHE 61 H PHE 61 -10.864 -0.912 3.515 473 HA PHE 61 HA PHE 61 -10.223 -1.396 0.860 474 HB2 PHE 61 1HB PHE 61 -9.647 -2.861 3.412 475 HB3 PHE 61 2HB PHE 61 -9.149 -3.554 1.872 476 HD1 PHE 61 1HD PHE 61 -8.110 -1.505 0.291 477 HD2 PHE 61 2HD PHE 61 -7.915 -1.875 4.527 478 HE1 PHE 61 1HE PHE 61 -6.084 -0.108 0.317 479 HE2 PHE 61 2HE PHE 61 -5.890 -0.478 4.559 480 HZ PHE 61 HZ PHE 61 -4.972 0.408 2.453 481 H SER 62 H SER 62 -12.470 -3.068 2.977 482 HA SER 62 HA SER 62 -12.949 -5.222 1.134 483 HB2 SER 62 1HB SER 62 -13.253 -5.146 3.746 484 HB3 SER 62 2HB SER 62 -14.854 -4.527 3.340 485 HG SER 62 HG SER 62 -14.466 -6.936 3.544 486 H ARG 63 H ARG 63 -14.270 -2.071 1.725 487 HA ARG 63 HA ARG 63 -16.698 -2.551 0.236 488 HB2 ARG 63 1HB ARG 63 -15.467 -0.142 1.543 489 HB3 ARG 63 2HB ARG 63 -16.841 0.029 0.459 490 HG2 ARG 63 1HG ARG 63 -18.195 -1.370 1.873 491 HG3 ARG 63 2HG ARG 63 -16.812 -1.712 2.914 492 HD2 ARG 63 1HD ARG 63 -18.443 0.040 3.745 493 HD3 ARG 63 2HD ARG 63 -16.742 0.502 3.718 494 HE ARG 63 HE ARG 63 -17.208 2.048 2.072 495 HH11 ARG 63 2HH1 ARG 63 -19.967 -0.011 2.592 496 HH12 ARG 63 1HH1 ARG 63 -21.040 0.968 1.648 497 HH21 ARG 63 1HH2 ARG 63 -20.267 2.877 0.644 498 HH22 ARG 63 2HH2 ARG 63 -18.610 3.346 0.827 499 H ALA 64 H ALA 64 -17.248 -0.990 -1.581 500 HA ALA 64 HA ALA 64 -15.316 -1.320 -3.659 501 HB1 ALA 64 3HB ALA 64 -17.093 -1.120 -4.976 502 HB2 ALA 64 1HB ALA 64 -18.075 -0.914 -3.526 503 HB3 ALA 64 2HB ALA 64 -17.433 0.499 -4.365 504 HA PRO 65 HA PRO 65 -15.417 -0.128 -5.823 505 HB2 PRO 65 2HB PRO 65 -14.479 1.497 -7.150 506 HB3 PRO 65 1HB PRO 65 -13.083 0.414 -7.099 507 HG2 PRO 65 1HG PRO 65 -12.022 1.653 -5.447 508 HG3 PRO 65 2HG PRO 65 -12.870 2.950 -6.310 509 HD2 PRO 65 1HD PRO 65 -13.173 2.527 -3.652 510 HD3 PRO 65 2HD PRO 65 -14.482 3.155 -4.675 511 H TYR 66 H TYR 66 -12.253 0.051 -4.197 512 HA TYR 66 HA TYR 66 -10.931 -2.128 -4.917 513 HB2 TYR 66 1HB TYR 66 -11.350 -1.916 -1.970 514 HB3 TYR 66 2HB TYR 66 -9.857 -2.125 -2.877 515 HD1 TYR 66 1HD TYR 66 -9.515 0.026 -4.593 516 HD2 TYR 66 2HD TYR 66 -11.450 0.062 -0.804 517 HE1 TYR 66 1HE TYR 66 -9.047 2.431 -4.383 518 HE2 TYR 66 2HE TYR 66 -10.988 2.467 -0.584 519 HH TYR 66 HH TYR 66 -8.781 4.088 -2.397 520 H THR 67 H THR 67 -13.841 -2.203 -2.922 521 HA THR 67 HA THR 67 -14.981 -4.009 -2.014 522 HB THR 67 HB THR 67 -15.697 -3.565 -4.490 523 HG1 THR 67 1HG THR 67 -17.298 -5.072 -4.172 524 HG21 THR 67 3HG2 THR 67 -13.705 -5.402 -4.981 525 HG22 THR 67 1HG2 THR 67 -14.991 -4.955 -6.101 526 HG23 THR 67 2HG2 THR 67 -15.172 -6.375 -5.071 527 H ILE 68 H ILE 68 -12.144 -4.414 -1.803 528 HA ILE 68 HA ILE 68 -11.167 -6.830 -2.697 529 HB ILE 68 HB ILE 68 -10.701 -5.633 0.037 530 HG12 ILE 68 1HG1 ILE 68 -9.002 -5.295 -2.434 531 HG13 ILE 68 2HG1 ILE 68 -10.272 -4.156 -1.999 532 HG21 ILE 68 1HG2 ILE 68 -8.416 -6.950 -0.975 533 HG22 ILE 68 2HG2 ILE 68 -9.394 -7.382 0.427 534 HG23 ILE 68 3HG2 ILE 68 -9.782 -8.051 -1.158 535 HD11 ILE 68 3HD1 ILE 68 -9.061 -3.239 -0.347 536 HD12 ILE 68 1HD1 ILE 68 -8.339 -4.776 0.127 537 HD13 ILE 68 2HD1 ILE 68 -7.706 -3.896 -1.264 538 H GLU 69 H GLU 69 -12.672 -8.474 -2.756 539 HA GLU 69 HA GLU 69 -14.154 -9.245 -0.416 540 HB2 GLU 69 1HB GLU 69 -13.782 -10.793 -2.984 541 HB3 GLU 69 2HB GLU 69 -15.043 -11.026 -1.782 542 HG2 GLU 69 1HG GLU 69 -15.726 -8.618 -2.298 543 HG3 GLU 69 2HG GLU 69 -14.705 -8.775 -3.726 544 H ASN 70 H ASN 70 -11.090 -10.006 -1.782 545 HA ASN 70 HA ASN 70 -10.821 -12.506 -0.331 546 HB2 ASN 70 1HB ASN 70 -9.799 -12.430 -2.508 547 HB3 ASN 70 2HB ASN 70 -8.917 -10.961 -2.099 548 HD21 ASN 70 2HD2 ASN 70 -6.157 -12.770 -1.140 549 HD22 ASN 70 1HD2 ASN 70 -6.849 -11.393 -1.921 550 H SER 71 H SER 71 -10.987 -11.825 1.825 551 HA SER 71 HA SER 71 -9.845 -9.779 3.157 552 HB2 SER 71 1HB SER 71 -10.051 -12.666 4.025 553 HB3 SER 71 2HB SER 71 -9.571 -11.367 5.117 554 HG SER 71 HG SER 71 -11.877 -10.916 3.656 555 H SER 72 H SER 72 -8.187 -12.871 2.530 556 HA SER 72 HA SER 72 -5.789 -12.592 3.653 557 HB2 SER 72 1HB SER 72 -6.512 -13.582 0.917 558 HB3 SER 72 2HB SER 72 -4.818 -13.528 1.403 559 HG SER 72 HG SER 72 -5.204 -14.992 2.969 560 H HIS 73 H HIS 73 -6.791 -10.872 0.728 561 HA HIS 73 HA HIS 73 -4.358 -9.610 0.159 562 HB2 HIS 73 1HB HIS 73 -6.246 -9.663 -1.414 563 HB3 HIS 73 2HB HIS 73 -7.165 -8.602 -0.351 564 HD1 HIS 73 1HD HIS 73 -6.710 -6.116 -0.504 565 HD2 HIS 73 2HD HIS 73 -4.062 -8.396 -2.752 566 HE1 HIS 73 1HE HIS 73 -5.433 -4.469 -1.912 567 HE2 HIS 73 2HE HIS 73 -3.896 -5.879 -3.325 568 H ARG 74 H ARG 74 -7.114 -8.498 2.107 569 HA ARG 74 HA ARG 74 -6.067 -5.989 2.790 570 HB2 ARG 74 1HB ARG 74 -8.119 -7.795 4.019 571 HB3 ARG 74 2HB ARG 74 -7.613 -6.340 4.868 572 HG2 ARG 74 1HG ARG 74 -8.193 -5.069 2.759 573 HG3 ARG 74 2HG ARG 74 -8.965 -6.553 2.197 574 HD2 ARG 74 1HD ARG 74 -9.640 -5.392 4.874 575 HD3 ARG 74 2HD ARG 74 -10.394 -4.768 3.408 576 HE ARG 74 HE ARG 74 -11.610 -6.718 3.225 577 HH11 ARG 74 2HH1 ARG 74 -9.179 -7.052 5.694 578 HH12 ARG 74 1HH1 ARG 74 -9.826 -8.534 6.315 579 HH21 ARG 74 1HH2 ARG 74 -11.698 -9.454 5.369 580 HH22 ARG 74 2HH2 ARG 74 -12.472 -8.670 4.033 581 H ARG 75 H ARG 75 -5.762 -9.147 4.352 582 HA ARG 75 HA ARG 75 -4.474 -8.328 6.692 583 HB2 ARG 75 1HB ARG 75 -5.396 -10.616 6.217 584 HB3 ARG 75 2HB ARG 75 -3.987 -10.914 5.209 585 HG2 ARG 75 1HG ARG 75 -3.570 -10.034 8.020 586 HG3 ARG 75 2HG ARG 75 -4.063 -11.699 7.708 587 HD2 ARG 75 1HD ARG 75 -2.140 -12.115 6.387 588 HD3 ARG 75 2HD ARG 75 -1.733 -10.401 6.318 589 HE ARG 75 HE ARG 75 -1.682 -11.049 8.983 590 HH11 ARG 75 2HH1 ARG 75 -0.066 -12.158 6.106 591 HH12 ARG 75 1HH1 ARG 75 1.383 -12.614 6.939 592 HH21 ARG 75 1HH2 ARG 75 1.545 -12.323 9.206 593 HH22 ARG 75 2HH2 ARG 75 0.220 -11.645 10.091 594 H VAL 76 H VAL 76 -3.134 -9.251 3.540 595 HA VAL 76 HA VAL 76 -0.419 -9.062 4.245 596 HB VAL 76 HB VAL 76 -1.684 -8.611 1.539 597 HG11 VAL 76 1HG1 VAL 76 0.353 -8.172 0.776 598 HG12 VAL 76 2HG1 VAL 76 1.000 -8.298 2.413 599 HG13 VAL 76 3HG1 VAL 76 0.920 -9.728 1.382 600 HG21 VAL 76 3HG2 VAL 76 -0.341 -11.144 2.365 601 HG22 VAL 76 1HG2 VAL 76 -2.004 -10.843 2.869 602 HG23 VAL 76 2HG2 VAL 76 -1.596 -10.878 1.154 603 H ILE 77 H ILE 77 -2.577 -6.693 2.697 604 HA ILE 77 HA ILE 77 -0.687 -4.627 2.477 605 HB ILE 77 HB ILE 77 -3.691 -4.610 2.591 606 HG12 ILE 77 1HG1 ILE 77 -1.791 -3.860 0.364 607 HG13 ILE 77 2HG1 ILE 77 -2.454 -5.477 0.573 608 HG21 ILE 77 1HG2 ILE 77 -3.567 -2.481 3.279 609 HG22 ILE 77 2HG2 ILE 77 -1.847 -2.363 2.912 610 HG23 ILE 77 3HG2 ILE 77 -3.038 -2.143 1.631 611 HD11 ILE 77 3HD1 ILE 77 -4.674 -4.682 0.195 612 HD12 ILE 77 1HD1 ILE 77 -4.124 -3.006 0.191 613 HD13 ILE 77 2HD1 ILE 77 -3.639 -4.098 -1.108 614 H LEU 78 H LEU 78 -3.362 -4.883 4.829 615 HA LEU 78 HA LEU 78 -2.638 -2.795 6.478 616 HB2 LEU 78 1HB LEU 78 -4.102 -5.355 6.932 617 HB3 LEU 78 2HB LEU 78 -3.714 -4.328 8.310 618 HG LEU 78 HG LEU 78 -5.166 -3.198 5.948 619 HD11 LEU 78 1HD1 LEU 78 -6.603 -4.964 6.358 620 HD12 LEU 78 2HD1 LEU 78 -7.252 -3.694 7.395 621 HD13 LEU 78 3HD1 LEU 78 -6.260 -4.978 8.088 622 HD21 LEU 78 3HD2 LEU 78 -5.870 -1.550 7.450 623 HD22 LEU 78 1HD2 LEU 78 -4.183 -1.836 7.880 624 HD23 LEU 78 2HD2 LEU 78 -5.473 -2.535 8.859 625 H THR 79 H THR 79 -1.782 -6.229 6.915 626 HA THR 79 HA THR 79 -0.160 -5.939 9.151 627 HB THR 79 HB THR 79 0.142 -7.935 6.899 628 HG1 THR 79 1HG THR 79 -1.500 -8.912 7.806 629 HG21 THR 79 3HG2 THR 79 1.234 -7.933 9.713 630 HG22 THR 79 1HG2 THR 79 2.162 -7.890 8.215 631 HG23 THR 79 2HG2 THR 79 1.243 -9.333 8.641 632 H GLU 80 H GLU 80 0.830 -6.014 5.725 633 HA GLU 80 HA GLU 80 3.554 -5.568 6.141 634 HB2 GLU 80 1HB GLU 80 1.733 -4.971 3.820 635 HB3 GLU 80 2HB GLU 80 3.450 -4.594 3.765 636 HG2 GLU 80 1HG GLU 80 2.638 -7.344 4.536 637 HG3 GLU 80 2HG GLU 80 2.498 -6.868 2.845 638 H LEU 81 H LEU 81 0.866 -3.314 5.890 639 HA LEU 81 HA LEU 81 2.441 -0.956 5.746 640 HB2 LEU 81 1HB LEU 81 -0.058 -1.333 5.189 641 HB3 LEU 81 2HB LEU 81 -0.317 -1.043 6.909 642 HG LEU 81 HG LEU 81 1.066 1.148 6.390 643 HD11 LEU 81 1HD1 LEU 81 0.239 1.968 4.107 644 HD12 LEU 81 2HD1 LEU 81 0.020 0.261 3.724 645 HD13 LEU 81 3HD1 LEU 81 1.621 0.871 4.142 646 HD21 LEU 81 3HD2 LEU 81 -0.964 1.658 7.228 647 HD22 LEU 81 1HD2 LEU 81 -1.798 0.475 6.219 648 HD23 LEU 81 2HD2 LEU 81 -1.332 2.038 5.545 649 H GLU 82 H GLU 82 1.160 -2.877 8.384 650 HA GLU 82 HA GLU 82 1.550 -1.026 10.466 651 HB2 GLU 82 1HB GLU 82 0.203 -3.095 10.671 652 HB3 GLU 82 2HB GLU 82 1.681 -4.043 10.603 653 HG2 GLU 82 1HG GLU 82 1.037 -3.879 12.878 654 HG3 GLU 82 2HG GLU 82 2.453 -2.854 12.653 655 H ARG 83 H ARG 83 3.757 -2.960 8.664 656 HA ARG 83 HA ARG 83 5.875 -2.768 10.639 657 HB2 ARG 83 1HB ARG 83 6.072 -3.763 7.794 658 HB3 ARG 83 2HB ARG 83 7.198 -4.066 9.111 659 HG2 ARG 83 1HG ARG 83 5.067 -5.131 10.235 660 HG3 ARG 83 2HG ARG 83 4.550 -5.288 8.556 661 HD2 ARG 83 1HD ARG 83 6.436 -6.613 8.005 662 HD3 ARG 83 2HD ARG 83 7.234 -6.232 9.531 663 HE ARG 83 HE ARG 83 4.904 -7.474 10.248 664 HH11 ARG 83 2HH1 ARG 83 7.636 -8.285 8.249 665 HH12 ARG 83 1HH1 ARG 83 7.518 -9.987 8.551 666 HH21 ARG 83 1HH2 ARG 83 5.868 -10.797 9.918 667 HH22 ARG 83 2HH2 ARG 83 4.737 -9.712 10.653 668 H VAL 84 H VAL 84 5.401 -1.677 7.275 669 HA VAL 84 HA VAL 84 7.673 -0.096 7.061 670 HB VAL 84 HB VAL 84 6.378 1.203 5.336 671 HG11 VAL 84 1HG1 VAL 84 7.411 -1.346 5.259 672 HG12 VAL 84 2HG1 VAL 84 5.808 -1.540 4.548 673 HG13 VAL 84 3HG1 VAL 84 6.943 -0.377 3.862 674 HG21 VAL 84 3HG2 VAL 84 4.164 -0.171 4.787 675 HG22 VAL 84 1HG2 VAL 84 4.184 -0.385 6.538 676 HG23 VAL 84 2HG2 VAL 84 4.162 1.238 5.848 677 H ARG 85 H ARG 85 4.501 0.677 8.393 678 HA ARG 85 HA ARG 85 5.080 3.454 8.781 679 HB2 ARG 85 1HB ARG 85 2.939 3.640 9.628 680 HB3 ARG 85 2HB ARG 85 2.776 2.227 8.594 681 HG2 ARG 85 1HG ARG 85 2.964 0.760 10.503 682 HG3 ARG 85 2HG ARG 85 3.252 2.140 11.565 683 HD2 ARG 85 1HD ARG 85 0.783 2.100 9.900 684 HD3 ARG 85 2HD ARG 85 0.857 1.069 11.328 685 HE ARG 85 HE ARG 85 1.625 3.453 12.302 686 HH11 ARG 85 2HH1 ARG 85 -1.076 2.486 10.329 687 HH12 ARG 85 1HH1 ARG 85 -2.129 3.720 10.937 688 HH21 ARG 85 1HH2 ARG 85 -1.375 5.196 12.518 689 HH22 ARG 85 2HH2 ARG 85 0.247 5.081 13.110 690 H SER 86 H SER 86 4.929 0.620 10.919 691 HA SER 86 HA SER 86 5.392 1.755 13.359 692 HB2 SER 86 1HB SER 86 5.070 -0.563 13.387 693 HB3 SER 86 2HB SER 86 6.312 -0.847 12.168 694 HG SER 86 HG SER 86 7.038 0.278 14.633 695 H GLY 87 H GLY 87 8.035 0.422 11.359 696 HA2 GLY 87 1HA GLY 87 9.896 1.988 10.830 697 HA3 GLY 87 2HA GLY 87 9.783 2.514 12.503 698 HA PRO 88 HA PRO 88 13.191 -0.435 12.715 699 HB2 PRO 88 2HB PRO 88 14.490 1.275 13.530 700 HB3 PRO 88 1HB PRO 88 14.138 0.502 15.080 701 HG2 PRO 88 1HG PRO 88 12.453 2.013 15.596 702 HG3 PRO 88 2HG PRO 88 13.539 3.065 14.670 703 HD2 PRO 88 1HD PRO 88 10.933 2.727 14.018 704 HD3 PRO 88 2HD PRO 88 12.191 3.023 12.801 705 H SER 89 H SER 89 12.068 -2.333 13.079 706 HA SER 89 HA SER 89 11.852 -3.153 15.839 707 HB2 SER 89 1HB SER 89 9.404 -3.025 14.066 708 HB3 SER 89 2HB SER 89 9.481 -3.937 15.573 709 HG SER 89 HG SER 89 9.994 -1.925 16.615 710 H SER 90 H SER 90 12.067 -5.337 16.095 711 HA SER 90 HA SER 90 12.994 -6.813 13.814 712 HB2 SER 90 1HB SER 90 14.169 -7.233 15.829 713 HB3 SER 90 2HB SER 90 12.679 -7.484 16.738 714 HG SER 90 HG SER 90 13.897 -9.423 16.083 715 H GLY 91 H GLY 91 10.285 -7.188 16.098 716 HA2 GLY 91 1HA GLY 91 8.125 -7.683 14.849 717 HA3 GLY 91 2HA GLY 91 9.028 -9.023 14.158 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.194 0.247 -17.375 2 HA2 GLY 1 1HA GLY 1 7.224 2.156 -15.809 3 HA3 GLY 1 2HA GLY 1 7.101 0.821 -14.674 4 H SER 2 H SER 2 8.607 -0.771 -14.701 5 HA SER 2 HA SER 2 10.678 -1.667 -15.049 6 HB2 SER 2 1HB SER 2 9.696 -1.387 -17.897 7 HB3 SER 2 2HB SER 2 11.125 -2.312 -17.436 8 HG SER 2 HG SER 2 9.741 -3.583 -16.098 9 H SER 3 H SER 3 10.903 0.980 -14.490 10 HA SER 3 HA SER 3 13.203 1.748 -16.140 11 HB2 SER 3 1HB SER 3 10.934 3.578 -15.327 12 HB3 SER 3 2HB SER 3 12.467 4.139 -15.995 13 HG SER 3 HG SER 3 10.341 3.348 -17.321 14 H GLY 4 H GLY 4 14.942 2.164 -14.944 15 HA2 GLY 4 1HA GLY 4 14.733 2.182 -12.068 16 HA3 GLY 4 2HA GLY 4 16.216 2.252 -13.009 17 H SER 5 H SER 5 13.367 4.381 -12.939 18 HA SER 5 HA SER 5 15.168 6.666 -12.643 19 HB2 SER 5 1HB SER 5 13.129 8.011 -13.195 20 HB3 SER 5 2HB SER 5 13.574 6.856 -14.451 21 HG SER 5 HG SER 5 11.584 6.215 -14.250 22 H SER 6 H SER 6 15.677 6.918 -10.538 23 HA SER 6 HA SER 6 15.460 7.272 -8.297 24 HB2 SER 6 1HB SER 6 13.164 8.707 -9.540 25 HB3 SER 6 2HB SER 6 13.165 8.541 -7.785 26 HG SER 6 HG SER 6 14.272 10.443 -8.796 27 H GLY 7 H GLY 7 14.433 4.744 -9.396 28 HA2 GLY 7 1HA GLY 7 12.321 4.143 -7.425 29 HA3 GLY 7 2HA GLY 7 12.602 3.233 -8.902 30 H GLU 8 H GLU 8 13.424 3.619 -5.589 31 HA GLU 8 HA GLU 8 15.351 1.399 -5.810 32 HB2 GLU 8 1HB GLU 8 15.234 3.681 -3.839 33 HB3 GLU 8 2HB GLU 8 16.237 2.258 -3.600 34 HG2 GLU 8 1HG GLU 8 16.453 4.321 -5.770 35 HG3 GLU 8 2HG GLU 8 17.621 3.947 -4.504 36 H HIS 9 H HIS 9 15.481 0.072 -3.757 37 HA HIS 9 HA HIS 9 12.829 -0.217 -2.514 38 HB2 HIS 9 1HB HIS 9 12.896 -2.592 -2.735 39 HB3 HIS 9 2HB HIS 9 13.262 -1.927 -4.324 40 HD1 HIS 9 1HD HIS 9 16.003 -1.751 -4.769 41 HD2 HIS 9 2HD HIS 9 14.644 -4.499 -1.965 42 HE1 HIS 9 1HE HIS 9 17.877 -3.404 -4.484 43 HE2 HIS 9 2HE HIS 9 16.999 -5.104 -2.847 44 H GLY 10 H GLY 10 13.007 0.102 -0.401 45 HA2 GLY 10 1HA GLY 10 14.072 -1.180 1.571 46 HA3 GLY 10 2HA GLY 10 15.564 -0.527 0.912 47 H LEU 11 H LEU 11 14.330 2.011 0.144 48 HA LEU 11 HA LEU 11 14.640 3.352 2.667 49 HB2 LEU 11 1HB LEU 11 14.668 5.349 1.452 50 HB3 LEU 11 2HB LEU 11 15.458 4.168 0.408 51 HG LEU 11 HG LEU 11 14.087 5.494 -0.986 52 HD11 LEU 11 1HD1 LEU 11 12.674 2.903 -0.374 53 HD12 LEU 11 2HD1 LEU 11 13.993 3.142 -1.518 54 HD13 LEU 11 3HD1 LEU 11 12.420 3.880 -1.820 55 HD21 LEU 11 3HD2 LEU 11 11.563 4.895 0.448 56 HD22 LEU 11 1HD2 LEU 11 12.026 6.313 -0.492 57 HD23 LEU 11 2HD2 LEU 11 12.630 6.110 1.153 58 H LEU 12 H LEU 12 12.080 1.829 1.253 59 HA LEU 12 HA LEU 12 9.922 3.565 1.566 60 HB2 LEU 12 1HB LEU 12 10.111 0.574 1.832 61 HB3 LEU 12 2HB LEU 12 8.583 1.451 1.888 62 HG LEU 12 HG LEU 12 10.457 1.560 -0.467 63 HD11 LEU 12 1HD1 LEU 12 8.759 -0.006 -1.505 64 HD12 LEU 12 2HD1 LEU 12 8.210 -0.341 0.137 65 HD13 LEU 12 3HD1 LEU 12 9.869 -0.715 -0.331 66 HD21 LEU 12 3HD2 LEU 12 7.682 2.511 0.113 67 HD22 LEU 12 1HD2 LEU 12 8.161 2.119 -1.539 68 HD23 LEU 12 2HD2 LEU 12 9.026 3.368 -0.643 69 H VAL 13 H VAL 13 11.053 1.072 3.857 70 HA VAL 13 HA VAL 13 9.354 1.735 5.963 71 HB VAL 13 HB VAL 13 10.965 0.607 7.440 72 HG11 VAL 13 1HG1 VAL 13 9.385 -0.611 5.853 73 HG12 VAL 13 2HG1 VAL 13 10.811 -0.934 4.866 74 HG13 VAL 13 3HG1 VAL 13 10.727 -1.540 6.521 75 HG21 VAL 13 3HG2 VAL 13 12.748 0.433 5.013 76 HG22 VAL 13 1HG2 VAL 13 13.006 1.527 6.372 77 HG23 VAL 13 2HG2 VAL 13 13.075 -0.218 6.619 78 H HIS 14 H HIS 14 12.497 3.053 5.064 79 HA HIS 14 HA HIS 14 12.953 4.581 7.380 80 HB2 HIS 14 1HB HIS 14 14.658 4.065 5.625 81 HB3 HIS 14 2HB HIS 14 13.861 5.227 4.569 82 HD1 HIS 14 1HD HIS 14 13.742 7.757 5.663 83 HD2 HIS 14 2HD HIS 14 16.622 5.150 7.136 84 HE1 HIS 14 1HE HIS 14 15.441 9.212 6.812 85 HE2 HIS 14 2HE HIS 14 17.218 7.620 7.621 86 H LYS 15 H LYS 15 11.645 5.585 4.217 87 HA LYS 15 HA LYS 15 10.849 8.154 5.245 88 HB2 LYS 15 1HB LYS 15 11.560 8.028 2.948 89 HB3 LYS 15 2HB LYS 15 10.370 6.782 2.597 90 HG2 LYS 15 1HG LYS 15 8.645 8.581 3.305 91 HG3 LYS 15 2HG LYS 15 9.971 9.711 3.021 92 HD2 LYS 15 1HD LYS 15 10.218 8.775 0.739 93 HD3 LYS 15 2HD LYS 15 8.809 7.754 1.038 94 HE2 LYS 15 1HE LYS 15 7.360 9.593 1.133 95 HE3 LYS 15 2HE LYS 15 8.683 10.736 1.355 96 HZ1 LYS 15 3HZ LYS 15 7.636 9.565 -1.087 97 HZ2 LYS 15 1HZ LYS 15 9.320 9.706 -1.008 98 HZ3 LYS 15 2HZ LYS 15 8.347 11.078 -0.829 99 H ALA 16 H ALA 16 8.979 8.649 6.181 100 HA ALA 16 HA ALA 16 7.095 6.866 7.042 101 HB1 ALA 16 3HB ALA 16 6.729 8.819 8.098 102 HB2 ALA 16 1HB ALA 16 7.175 9.784 6.691 103 HB3 ALA 16 2HB ALA 16 5.561 9.080 6.803 104 H VAL 17 H VAL 17 5.166 6.047 6.317 105 HA VAL 17 HA VAL 17 4.861 5.707 3.518 106 HB VAL 17 HB VAL 17 2.960 5.061 5.775 107 HG11 VAL 17 1HG1 VAL 17 1.422 4.607 4.241 108 HG12 VAL 17 2HG1 VAL 17 2.533 5.063 2.948 109 HG13 VAL 17 3HG1 VAL 17 2.505 3.403 3.543 110 HG21 VAL 17 3HG2 VAL 17 5.316 3.949 5.507 111 HG22 VAL 17 1HG2 VAL 17 3.900 2.964 5.872 112 HG23 VAL 17 2HG2 VAL 17 4.517 3.044 4.222 113 H ASP 18 H ASP 18 3.433 7.874 5.860 114 HA ASP 18 HA ASP 18 1.268 8.756 4.248 115 HB2 ASP 18 1HB ASP 18 0.791 10.238 5.951 116 HB3 ASP 18 2HB ASP 18 1.730 9.031 6.826 117 H LYS 19 H LYS 19 4.481 9.052 3.724 118 HA LYS 19 HA LYS 19 4.211 11.677 2.414 119 HB2 LYS 19 1HB LYS 19 6.479 10.322 3.782 120 HB3 LYS 19 2HB LYS 19 6.859 11.327 2.389 121 HG2 LYS 19 1HG LYS 19 7.082 12.755 4.214 122 HG3 LYS 19 2HG LYS 19 5.494 13.146 3.550 123 HD2 LYS 19 1HD LYS 19 4.369 12.134 5.300 124 HD3 LYS 19 2HD LYS 19 5.735 11.095 5.712 125 HE2 LYS 19 1HE LYS 19 5.486 12.777 7.414 126 HE3 LYS 19 2HE LYS 19 6.961 13.096 6.502 127 HZ1 LYS 19 3HZ LYS 19 5.827 15.145 6.814 128 HZ2 LYS 19 1HZ LYS 19 4.363 14.507 6.256 129 HZ3 LYS 19 2HZ LYS 19 5.652 14.727 5.185 130 H TRP 20 H TRP 20 4.212 8.429 1.806 131 HA TRP 20 HA TRP 20 5.828 8.212 -0.495 132 HB2 TRP 20 1HB TRP 20 3.386 6.640 0.349 133 HB3 TRP 20 2HB TRP 20 4.436 6.196 -0.994 134 HD1 TRP 20 HD TRP 20 6.612 7.505 1.628 135 HE1 TRP 20 1HE TRP 20 7.664 5.600 3.003 136 HE3 TRP 20 3HE TRP 20 3.623 3.652 0.094 137 HZ2 TRP 20 2HZ TRP 20 7.277 2.830 3.386 138 HZ3 TRP 20 3HZ TRP 20 4.031 1.406 1.012 139 HH2 TRP 20 HH TRP 20 5.821 1.005 2.623 140 H THR 21 H THR 21 4.923 7.739 -2.707 141 HA THR 21 HA THR 21 2.757 9.638 -3.335 142 HB THR 21 HB THR 21 3.885 9.863 -5.594 143 HG1 THR 21 1HG THR 21 5.848 9.009 -5.876 144 HG21 THR 21 3HG2 THR 21 4.049 11.491 -3.631 145 HG22 THR 21 1HG2 THR 21 5.292 11.610 -4.875 146 HG23 THR 21 2HG2 THR 21 5.648 10.806 -3.346 147 H THR 22 H THR 22 1.485 9.143 -5.241 148 HA THR 22 HA THR 22 0.261 6.744 -5.296 149 HB THR 22 HB THR 22 0.770 8.055 -7.944 150 HG1 THR 22 1HG THR 22 -0.713 9.117 -5.760 151 HG21 THR 22 3HG2 THR 22 -1.462 7.434 -8.418 152 HG22 THR 22 1HG2 THR 22 -1.821 7.133 -6.718 153 HG23 THR 22 2HG2 THR 22 -0.750 6.044 -7.599 154 H GLU 23 H GLU 23 3.396 7.444 -6.594 155 HA GLU 23 HA GLU 23 3.559 5.059 -8.200 156 HB2 GLU 23 1HB GLU 23 4.850 7.354 -8.411 157 HB3 GLU 23 2HB GLU 23 5.985 6.566 -7.324 158 HG2 GLU 23 1HG GLU 23 6.501 4.902 -8.879 159 HG3 GLU 23 2HG GLU 23 5.077 5.252 -9.858 160 H GLU 24 H GLU 24 5.273 6.167 -5.271 161 HA GLU 24 HA GLU 24 6.539 3.743 -4.704 162 HB2 GLU 24 1HB GLU 24 5.699 6.011 -2.900 163 HB3 GLU 24 2HB GLU 24 6.653 4.645 -2.339 164 HG2 GLU 24 1HG GLU 24 7.411 6.859 -4.178 165 HG3 GLU 24 2HG GLU 24 8.275 6.202 -2.789 166 H VAL 25 H VAL 25 3.378 4.975 -3.722 167 HA VAL 25 HA VAL 25 2.646 3.109 -1.831 168 HB VAL 25 HB VAL 25 0.951 4.461 -3.927 169 HG11 VAL 25 1HG1 VAL 25 -1.002 3.805 -2.658 170 HG12 VAL 25 2HG1 VAL 25 -0.111 2.369 -3.167 171 HG13 VAL 25 3HG1 VAL 25 0.008 2.938 -1.502 172 HG21 VAL 25 3HG2 VAL 25 1.164 6.230 -2.599 173 HG22 VAL 25 1HG2 VAL 25 0.362 5.327 -1.314 174 HG23 VAL 25 2HG2 VAL 25 2.120 5.294 -1.450 175 H VAL 26 H VAL 26 2.243 2.885 -5.358 176 HA VAL 26 HA VAL 26 1.110 0.274 -5.293 177 HB VAL 26 HB VAL 26 2.409 1.779 -7.567 178 HG11 VAL 26 1HG1 VAL 26 0.974 -0.851 -7.464 179 HG12 VAL 26 2HG1 VAL 26 0.984 0.127 -8.932 180 HG13 VAL 26 3HG1 VAL 26 2.503 -0.449 -8.245 181 HG21 VAL 26 3HG2 VAL 26 -0.489 1.329 -7.563 182 HG22 VAL 26 1HG2 VAL 26 0.092 2.379 -6.270 183 HG23 VAL 26 2HG2 VAL 26 0.435 2.779 -7.954 184 H LEU 27 H LEU 27 4.368 1.533 -5.555 185 HA LEU 27 HA LEU 27 5.658 -0.798 -6.446 186 HB2 LEU 27 1HB LEU 27 6.478 1.693 -5.062 187 HB3 LEU 27 2HB LEU 27 7.597 0.333 -5.011 188 HG LEU 27 HG LEU 27 6.552 1.693 -7.494 189 HD11 LEU 27 1HD1 LEU 27 8.917 2.060 -5.805 190 HD12 LEU 27 2HD1 LEU 27 8.169 3.152 -6.969 191 HD13 LEU 27 3HD1 LEU 27 9.264 1.887 -7.526 192 HD21 LEU 27 3HD2 LEU 27 8.352 0.241 -8.566 193 HD22 LEU 27 1HD2 LEU 27 6.853 -0.556 -8.088 194 HD23 LEU 27 2HD2 LEU 27 8.296 -0.719 -7.087 195 H TRP 28 H TRP 28 5.292 0.475 -3.135 196 HA TRP 28 HA TRP 28 6.511 -1.635 -1.792 197 HB2 TRP 28 1HB TRP 28 6.093 0.254 -0.483 198 HB3 TRP 28 2HB TRP 28 4.416 0.367 -1.009 199 HD1 TRP 28 HD TRP 28 6.658 -1.648 1.384 200 HE1 TRP 28 1HE TRP 28 5.165 -2.700 3.198 201 HE3 TRP 28 3HE TRP 28 2.078 -0.355 -0.484 202 HZ2 TRP 28 2HZ TRP 28 2.410 -2.950 3.761 203 HZ3 TRP 28 3HZ TRP 28 0.064 -1.040 0.752 204 HH2 TRP 28 HH TRP 28 0.229 -2.311 2.830 205 H LEU 29 H LEU 29 3.162 -1.249 -2.850 206 HA LEU 29 HA LEU 29 2.256 -3.671 -1.626 207 HB2 LEU 29 1HB LEU 29 0.621 -2.018 -1.972 208 HB3 LEU 29 2HB LEU 29 1.091 -1.791 -3.655 209 HG LEU 29 HG LEU 29 0.256 -4.254 -3.919 210 HD11 LEU 29 1HD1 LEU 29 -1.595 -4.795 -2.426 211 HD12 LEU 29 2HD1 LEU 29 -1.251 -3.356 -1.467 212 HD13 LEU 29 3HD1 LEU 29 -0.076 -4.669 -1.539 213 HD21 LEU 29 3HD2 LEU 29 -0.714 -1.968 -4.730 214 HD22 LEU 29 1HD2 LEU 29 -1.927 -2.266 -3.485 215 HD23 LEU 29 2HD2 LEU 29 -1.705 -3.426 -4.795 216 H GLU 30 H GLU 30 3.696 -2.819 -4.668 217 HA GLU 30 HA GLU 30 2.926 -5.230 -6.027 218 HB2 GLU 30 1HB GLU 30 4.699 -2.906 -6.637 219 HB3 GLU 30 2HB GLU 30 4.901 -4.383 -7.569 220 HG2 GLU 30 1HG GLU 30 2.424 -4.265 -8.050 221 HG3 GLU 30 2HG GLU 30 2.466 -2.640 -7.369 222 H GLN 31 H GLN 31 4.744 -4.956 -3.442 223 HA GLN 31 HA GLN 31 6.811 -6.843 -4.356 224 HB2 GLN 31 1HB GLN 31 6.777 -4.804 -2.152 225 HB3 GLN 31 2HB GLN 31 7.886 -6.167 -2.092 226 HG2 GLN 31 1HG GLN 31 8.914 -5.490 -4.155 227 HG3 GLN 31 2HG GLN 31 7.727 -4.203 -4.365 228 HE21 GLN 31 2HE2 GLN 31 9.248 -1.982 -2.124 229 HE22 GLN 31 1HE2 GLN 31 7.795 -2.405 -2.957 230 H LEU 32 H LEU 32 4.183 -6.320 -2.146 231 HA LEU 32 HA LEU 32 4.675 -8.411 -0.335 232 HB2 LEU 32 1HB LEU 32 1.905 -7.629 -1.140 233 HB3 LEU 32 2HB LEU 32 2.519 -8.076 0.451 234 HG LEU 32 HG LEU 32 2.895 -5.455 -0.989 235 HD11 LEU 32 1HD1 LEU 32 1.674 -4.528 0.868 236 HD12 LEU 32 2HD1 LEU 32 1.598 -6.105 1.653 237 HD13 LEU 32 3HD1 LEU 32 0.730 -5.830 0.143 238 HD21 LEU 32 3HD2 LEU 32 4.649 -6.720 0.848 239 HD22 LEU 32 1HD2 LEU 32 3.860 -5.379 1.679 240 HD23 LEU 32 2HD2 LEU 32 4.743 -5.089 0.180 241 H GLY 33 H GLY 33 3.474 -8.400 -3.581 242 HA2 GLY 33 1HA GLY 33 3.802 -11.131 -3.985 243 HA3 GLY 33 2HA GLY 33 2.119 -10.890 -3.539 244 HA PRO 34 HA PRO 34 2.957 -10.082 -8.152 245 HB2 PRO 34 2HB PRO 34 3.569 -12.219 -8.733 246 HB3 PRO 34 1HB PRO 34 1.856 -12.354 -9.151 247 HG2 PRO 34 1HG PRO 34 1.325 -13.428 -7.163 248 HG3 PRO 34 2HG PRO 34 2.971 -14.038 -7.413 249 HD2 PRO 34 1HD PRO 34 2.219 -12.766 -5.145 250 HD3 PRO 34 2HD PRO 34 3.864 -12.655 -5.801 251 H TRP 35 H TRP 35 0.301 -11.248 -6.217 252 HA TRP 35 HA TRP 35 -1.776 -10.691 -8.075 253 HB2 TRP 35 1HB TRP 35 -3.237 -10.765 -5.998 254 HB3 TRP 35 2HB TRP 35 -2.283 -12.210 -6.322 255 HD1 TRP 35 HD TRP 35 -0.909 -13.096 -4.347 256 HE1 TRP 35 1HE TRP 35 -0.163 -12.170 -2.064 257 HE3 TRP 35 3HE TRP 35 -2.557 -8.283 -4.847 258 HZ2 TRP 35 2HZ TRP 35 -0.261 -9.722 -0.661 259 HZ3 TRP 35 3HZ TRP 35 -2.192 -6.712 -2.988 260 HH2 TRP 35 HH TRP 35 -1.068 -7.419 -0.940 261 H ALA 36 H ALA 36 0.201 -8.700 -6.170 262 HA ALA 36 HA ALA 36 -1.461 -6.593 -5.457 263 HB1 ALA 36 3HB ALA 36 1.439 -6.625 -6.256 264 HB2 ALA 36 1HB ALA 36 0.620 -5.184 -5.652 265 HB3 ALA 36 2HB ALA 36 0.757 -6.614 -4.630 266 H SER 37 H SER 37 -0.120 -7.448 -8.569 267 HA SER 37 HA SER 37 -0.605 -4.976 -9.869 268 HB2 SER 37 1HB SER 37 0.838 -7.058 -10.594 269 HB3 SER 37 2HB SER 37 -0.661 -7.569 -11.368 270 HG SER 37 HG SER 37 0.988 -5.381 -11.932 271 H LEU 38 H LEU 38 -2.712 -7.282 -8.673 272 HA LEU 38 HA LEU 38 -4.765 -6.956 -10.689 273 HB2 LEU 38 1HB LEU 38 -4.851 -8.301 -7.992 274 HB3 LEU 38 2HB LEU 38 -6.123 -8.367 -9.209 275 HG LEU 38 HG LEU 38 -3.362 -9.383 -9.797 276 HD11 LEU 38 1HD1 LEU 38 -4.740 -10.371 -7.694 277 HD12 LEU 38 2HD1 LEU 38 -3.662 -11.327 -8.710 278 HD13 LEU 38 3HD1 LEU 38 -5.400 -11.349 -9.005 279 HD21 LEU 38 3HD2 LEU 38 -5.046 -10.954 -11.144 280 HD22 LEU 38 1HD2 LEU 38 -4.461 -9.417 -11.781 281 HD23 LEU 38 2HD2 LEU 38 -6.053 -9.509 -11.027 282 H TYR 39 H TYR 39 -3.686 -5.228 -8.017 283 HA TYR 39 HA TYR 39 -6.283 -3.854 -7.779 284 HB2 TYR 39 1HB TYR 39 -4.144 -4.133 -5.657 285 HB3 TYR 39 2HB TYR 39 -5.666 -3.267 -5.477 286 HD1 TYR 39 1HD TYR 39 -4.130 -6.599 -5.813 287 HD2 TYR 39 2HD TYR 39 -7.712 -4.434 -5.049 288 HE1 TYR 39 1HE TYR 39 -5.208 -8.669 -5.038 289 HE2 TYR 39 2HE TYR 39 -8.800 -6.499 -4.271 290 HH TYR 39 HH TYR 39 -8.184 -8.682 -3.381 291 H ARG 40 H ARG 40 -2.816 -3.555 -8.098 292 HA ARG 40 HA ARG 40 -2.199 -0.993 -7.630 293 HB2 ARG 40 1HB ARG 40 -0.550 -1.088 -9.340 294 HB3 ARG 40 2HB ARG 40 -0.743 -2.731 -8.743 295 HG2 ARG 40 1HG ARG 40 -2.193 -3.235 -10.667 296 HG3 ARG 40 2HG ARG 40 -1.915 -1.602 -11.275 297 HD2 ARG 40 1HD ARG 40 0.448 -3.287 -10.631 298 HD3 ARG 40 2HD ARG 40 -0.468 -3.664 -12.089 299 HE ARG 40 HE ARG 40 1.216 -1.371 -11.638 300 HH11 ARG 40 2HH1 ARG 40 -1.411 -2.696 -13.499 301 HH12 ARG 40 1HH1 ARG 40 -1.169 -1.629 -14.843 302 HH21 ARG 40 1HH2 ARG 40 0.512 -0.074 -14.786 303 HH22 ARG 40 2HH2 ARG 40 1.544 0.040 -13.400 304 H ASP 41 H ASP 41 -3.934 -2.099 -10.525 305 HA ASP 41 HA ASP 41 -4.174 0.210 -11.952 306 HB2 ASP 41 1HB ASP 41 -6.365 -1.820 -11.468 307 HB3 ASP 41 2HB ASP 41 -6.331 -0.650 -12.785 308 H ARG 42 H ARG 42 -6.207 -0.775 -9.212 309 HA ARG 42 HA ARG 42 -7.865 1.520 -9.261 310 HB2 ARG 42 1HB ARG 42 -7.331 0.014 -6.731 311 HB3 ARG 42 2HB ARG 42 -8.841 0.688 -7.329 312 HG2 ARG 42 1HG ARG 42 -8.587 -1.109 -9.194 313 HG3 ARG 42 2HG ARG 42 -7.502 -1.880 -8.035 314 HD2 ARG 42 1HD ARG 42 -9.524 -2.846 -7.496 315 HD3 ARG 42 2HD ARG 42 -9.458 -1.497 -6.363 316 HE ARG 42 HE ARG 42 -11.192 -1.735 -8.698 317 HH11 ARG 42 2HH1 ARG 42 -10.059 0.155 -6.003 318 HH12 ARG 42 1HH1 ARG 42 -11.401 1.251 -6.040 319 HH21 ARG 42 1HH2 ARG 42 -13.052 0.991 -7.606 320 HH22 ARG 42 2HH2 ARG 42 -12.963 -0.299 -8.757 321 H PHE 43 H PHE 43 -4.881 0.727 -7.556 322 HA PHE 43 HA PHE 43 -4.797 2.902 -5.806 323 HB2 PHE 43 1HB PHE 43 -2.691 1.155 -7.039 324 HB3 PHE 43 2HB PHE 43 -2.224 2.538 -6.054 325 HD1 PHE 43 2HD PHE 43 -4.181 -0.607 -6.012 326 HD2 PHE 43 1HD PHE 43 -2.240 2.410 -3.721 327 HE1 PHE 43 2HE PHE 43 -4.486 -1.958 -3.979 328 HE2 PHE 43 1HE PHE 43 -2.541 1.063 -1.685 329 HZ PHE 43 HZ PHE 43 -3.666 -1.124 -1.812 330 H LEU 44 H LEU 44 -3.631 2.582 -9.132 331 HA LEU 44 HA LEU 44 -2.524 5.216 -9.234 332 HB2 LEU 44 1HB LEU 44 -3.203 3.198 -11.359 333 HB3 LEU 44 2HB LEU 44 -2.484 4.766 -11.718 334 HG LEU 44 HG LEU 44 -0.718 3.202 -11.743 335 HD11 LEU 44 1HD1 LEU 44 -0.544 4.352 -8.976 336 HD12 LEU 44 2HD1 LEU 44 -0.411 5.353 -10.421 337 HD13 LEU 44 3HD1 LEU 44 0.755 4.062 -10.133 338 HD21 LEU 44 3HD2 LEU 44 -1.730 2.209 -9.080 339 HD22 LEU 44 1HD2 LEU 44 -0.264 1.660 -9.893 340 HD23 LEU 44 2HD2 LEU 44 -1.842 1.360 -10.622 341 H SER 45 H SER 45 -5.395 3.742 -10.752 342 HA SER 45 HA SER 45 -6.452 6.001 -11.934 343 HB2 SER 45 1HB SER 45 -7.251 3.494 -11.933 344 HB3 SER 45 2HB SER 45 -8.302 4.040 -10.626 345 HG SER 45 HG SER 45 -9.012 4.185 -12.981 346 H GLU 46 H GLU 46 -6.948 4.816 -8.627 347 HA GLU 46 HA GLU 46 -8.558 7.134 -7.953 348 HB2 GLU 46 1HB GLU 46 -7.661 4.715 -6.393 349 HB3 GLU 46 2HB GLU 46 -8.524 6.052 -5.646 350 HG2 GLU 46 1HG GLU 46 -9.509 4.210 -7.805 351 HG3 GLU 46 2HG GLU 46 -10.107 4.360 -6.154 352 H ARG 47 H ARG 47 -5.538 7.107 -8.603 353 HA ARG 47 HA ARG 47 -3.568 7.941 -7.730 354 HB2 ARG 47 1HB ARG 47 -5.560 10.097 -7.003 355 HB3 ARG 47 2HB ARG 47 -3.820 10.319 -7.126 356 HG2 ARG 47 1HG ARG 47 -5.645 9.521 -9.384 357 HG3 ARG 47 2HG ARG 47 -4.993 11.137 -9.106 358 HD2 ARG 47 1HD ARG 47 -2.702 9.807 -9.110 359 HD3 ARG 47 2HD ARG 47 -3.642 8.676 -10.083 360 HE ARG 47 HE ARG 47 -3.581 10.173 -11.811 361 HH11 ARG 47 2HH1 ARG 47 -2.716 11.808 -8.862 362 HH12 ARG 47 1HH1 ARG 47 -2.264 13.280 -9.657 363 HH21 ARG 47 1HH2 ARG 47 -2.420 13.448 -11.936 364 HH22 ARG 47 2HH2 ARG 47 -2.989 12.105 -12.869 365 H VAL 48 H VAL 48 -4.694 6.126 -5.901 366 HA VAL 48 HA VAL 48 -4.935 7.151 -3.286 367 HB VAL 48 HB VAL 48 -4.022 4.385 -4.087 368 HG11 VAL 48 1HG1 VAL 48 -4.697 5.666 -1.530 369 HG12 VAL 48 2HG1 VAL 48 -5.455 4.097 -1.806 370 HG13 VAL 48 3HG1 VAL 48 -3.699 4.251 -1.865 371 HG21 VAL 48 3HG2 VAL 48 -6.220 5.245 -5.078 372 HG22 VAL 48 1HG2 VAL 48 -6.262 3.712 -4.206 373 HG23 VAL 48 2HG2 VAL 48 -6.840 5.185 -3.428 374 H ASN 49 H ASN 49 -3.352 8.396 -2.470 375 HA ASN 49 HA ASN 49 -0.561 7.697 -2.879 376 HB2 ASN 49 1HB ASN 49 -0.044 9.821 -1.883 377 HB3 ASN 49 2HB ASN 49 -1.384 10.068 -3.000 378 HD21 ASN 49 2HD2 ASN 49 -3.722 10.911 -0.528 379 HD22 ASN 49 1HD2 ASN 49 -3.496 10.329 -2.139 380 H GLY 50 H GLY 50 0.927 7.770 -0.963 381 HA2 GLY 50 1HA GLY 50 0.454 5.729 0.806 382 HA3 GLY 50 2HA GLY 50 1.583 7.039 1.118 383 H ARG 51 H ARG 51 -0.071 9.194 1.419 384 HA ARG 51 HA ARG 51 -0.866 9.031 4.068 385 HB2 ARG 51 1HB ARG 51 -0.524 11.081 2.449 386 HB3 ARG 51 2HB ARG 51 -2.262 10.930 2.229 387 HG2 ARG 51 1HG ARG 51 -0.956 11.188 4.924 388 HG3 ARG 51 2HG ARG 51 -1.529 12.565 3.980 389 HD2 ARG 51 1HD ARG 51 -3.762 11.242 3.892 390 HD3 ARG 51 2HD ARG 51 -3.096 10.366 5.269 391 HE ARG 51 HE ARG 51 -4.047 13.090 5.231 392 HH11 ARG 51 2HH1 ARG 51 -2.091 10.729 6.880 393 HH12 ARG 51 1HH1 ARG 51 -2.158 11.547 8.406 394 HH21 ARG 51 1HH2 ARG 51 -3.326 13.508 8.606 395 HH22 ARG 51 2HH2 ARG 51 -4.143 14.176 7.234 396 H LEU 52 H LEU 52 -2.761 8.556 1.127 397 HA LEU 52 HA LEU 52 -5.253 8.259 2.500 398 HB2 LEU 52 1HB LEU 52 -4.969 8.975 0.111 399 HB3 LEU 52 2HB LEU 52 -4.549 7.306 -0.269 400 HG LEU 52 HG LEU 52 -6.811 6.632 0.559 401 HD11 LEU 52 1HD1 LEU 52 -7.224 8.595 1.973 402 HD12 LEU 52 2HD1 LEU 52 -8.519 8.336 0.805 403 HD13 LEU 52 3HD1 LEU 52 -7.324 9.603 0.529 404 HD21 LEU 52 3HD2 LEU 52 -7.974 7.337 -1.447 405 HD22 LEU 52 1HD2 LEU 52 -6.301 6.930 -1.829 406 HD23 LEU 52 2HD2 LEU 52 -6.791 8.620 -1.711 407 H LEU 53 H LEU 53 -2.776 6.068 1.292 408 HA LEU 53 HA LEU 53 -4.156 3.653 1.573 409 HB2 LEU 53 1HB LEU 53 -1.871 4.140 0.506 410 HB3 LEU 53 2HB LEU 53 -1.223 3.944 2.134 411 HG LEU 53 HG LEU 53 -2.677 1.847 0.521 412 HD11 LEU 53 1HD1 LEU 53 -0.691 1.274 -0.272 413 HD12 LEU 53 2HD1 LEU 53 -0.060 1.110 1.366 414 HD13 LEU 53 3HD1 LEU 53 0.027 2.666 0.540 415 HD21 LEU 53 3HD2 LEU 53 -3.254 1.238 2.649 416 HD22 LEU 53 1HD2 LEU 53 -1.830 1.987 3.371 417 HD23 LEU 53 2HD2 LEU 53 -1.681 0.450 2.519 418 H LEU 54 H LEU 54 -2.367 5.581 3.914 419 HA LEU 54 HA LEU 54 -2.351 3.687 6.005 420 HB2 LEU 54 1HB LEU 54 -2.102 6.672 5.905 421 HB3 LEU 54 2HB LEU 54 -2.140 5.815 7.444 422 HG LEU 54 HG LEU 54 -0.090 5.425 5.263 423 HD11 LEU 54 1HD1 LEU 54 0.286 6.661 7.979 424 HD12 LEU 54 2HD1 LEU 54 -0.017 7.604 6.521 425 HD13 LEU 54 3HD1 LEU 54 1.432 6.606 6.640 426 HD21 LEU 54 3HD2 LEU 54 1.013 4.294 7.394 427 HD22 LEU 54 1HD2 LEU 54 -0.026 3.395 6.289 428 HD23 LEU 54 2HD2 LEU 54 -0.679 4.013 7.806 429 H THR 55 H THR 55 -4.505 6.455 5.384 430 HA THR 55 HA THR 55 -6.209 6.197 7.535 431 HB THR 55 HB THR 55 -7.909 7.337 6.222 432 HG1 THR 55 1HG THR 55 -6.482 7.471 3.883 433 HG21 THR 55 3HG2 THR 55 -5.066 8.206 6.002 434 HG22 THR 55 1HG2 THR 55 -6.399 8.931 6.900 435 HG23 THR 55 2HG2 THR 55 -6.302 9.132 5.150 436 H LEU 56 H LEU 56 -6.490 4.624 4.356 437 HA LEU 56 HA LEU 56 -8.855 3.300 4.597 438 HB2 LEU 56 1HB LEU 56 -6.258 2.326 3.428 439 HB3 LEU 56 2HB LEU 56 -7.783 1.461 3.245 440 HG LEU 56 HG LEU 56 -7.420 4.299 2.316 441 HD11 LEU 56 1HD1 LEU 56 -7.412 2.295 0.226 442 HD12 LEU 56 2HD1 LEU 56 -6.024 2.135 1.302 443 HD13 LEU 56 3HD1 LEU 56 -6.332 3.666 0.483 444 HD21 LEU 56 3HD2 LEU 56 -9.716 3.416 2.641 445 HD22 LEU 56 1HD2 LEU 56 -9.355 2.148 1.470 446 HD23 LEU 56 2HD2 LEU 56 -9.355 3.839 0.967 447 H THR 57 H THR 57 -9.643 1.514 5.610 448 HA THR 57 HA THR 57 -7.836 0.143 7.493 449 HB THR 57 HB THR 57 -9.780 -0.143 9.009 450 HG1 THR 57 1HG THR 57 -11.279 0.362 7.105 451 HG21 THR 57 3HG2 THR 57 -8.796 2.591 8.281 452 HG22 THR 57 1HG2 THR 57 -8.400 1.603 9.685 453 HG23 THR 57 2HG2 THR 57 -9.978 2.382 9.572 454 H GLU 58 H GLU 58 -9.159 -1.923 8.354 455 HA GLU 58 HA GLU 58 -9.166 -3.768 6.273 456 HB2 GLU 58 1HB GLU 58 -8.888 -4.464 8.575 457 HB3 GLU 58 2HB GLU 58 -10.507 -3.911 8.976 458 HG2 GLU 58 1HG GLU 58 -11.393 -5.603 7.364 459 HG3 GLU 58 2HG GLU 58 -9.752 -6.227 7.217 460 H GLU 59 H GLU 59 -11.560 -1.518 7.183 461 HA GLU 59 HA GLU 59 -13.734 -2.995 5.928 462 HB2 GLU 59 1HB GLU 59 -14.700 -1.902 7.671 463 HB3 GLU 59 2HB GLU 59 -13.504 -0.613 7.663 464 HG2 GLU 59 1HG GLU 59 -14.652 0.633 6.116 465 HG3 GLU 59 2HG GLU 59 -15.486 -0.768 5.447 466 H GLU 60 H GLU 60 -12.483 0.332 5.588 467 HA GLU 60 HA GLU 60 -13.634 1.099 3.273 468 HB2 GLU 60 1HB GLU 60 -10.722 1.531 3.963 469 HB3 GLU 60 2HB GLU 60 -11.654 2.481 2.815 470 HG2 GLU 60 1HG GLU 60 -13.165 3.136 4.677 471 HG3 GLU 60 2HG GLU 60 -12.075 2.307 5.787 472 H PHE 61 H PHE 61 -11.007 -1.201 3.599 473 HA PHE 61 HA PHE 61 -10.458 -1.376 0.796 474 HB2 PHE 61 1HB PHE 61 -9.673 -3.034 3.184 475 HB3 PHE 61 2HB PHE 61 -9.249 -3.522 1.547 476 HD1 PHE 61 1HD PHE 61 -8.545 -1.024 0.261 477 HD2 PHE 61 2HD PHE 61 -7.725 -2.366 4.217 478 HE1 PHE 61 1HE PHE 61 -6.562 0.432 0.341 479 HE2 PHE 61 2HE PHE 61 -5.742 -0.912 4.303 480 HZ PHE 61 HZ PHE 61 -5.159 0.490 2.364 481 H SER 62 H SER 62 -12.448 -3.162 3.084 482 HA SER 62 HA SER 62 -13.136 -5.249 1.259 483 HB2 SER 62 1HB SER 62 -13.239 -5.598 3.684 484 HB3 SER 62 2HB SER 62 -14.494 -4.367 3.818 485 HG SER 62 HG SER 62 -15.925 -5.761 3.148 486 H ARG 63 H ARG 63 -14.326 -2.067 1.905 487 HA ARG 63 HA ARG 63 -16.741 -2.569 0.315 488 HB2 ARG 63 1HB ARG 63 -17.711 -0.697 1.303 489 HB3 ARG 63 2HB ARG 63 -16.758 -1.379 2.614 490 HG2 ARG 63 1HG ARG 63 -14.925 0.259 1.817 491 HG3 ARG 63 2HG ARG 63 -16.254 1.081 0.997 492 HD2 ARG 63 1HD ARG 63 -16.174 0.430 3.941 493 HD3 ARG 63 2HD ARG 63 -15.775 2.000 3.244 494 HE ARG 63 HE ARG 63 -18.383 0.952 3.724 495 HH11 ARG 63 2HH1 ARG 63 -16.537 3.019 1.618 496 HH12 ARG 63 1HH1 ARG 63 -17.899 3.984 1.155 497 HH21 ARG 63 1HH2 ARG 63 -19.974 3.526 2.013 498 HH22 ARG 63 2HH2 ARG 63 -20.185 2.215 3.123 499 H ALA 64 H ALA 64 -17.371 -0.804 -1.217 500 HA ALA 64 HA ALA 64 -15.424 -0.457 -3.189 501 HB1 ALA 64 3HB ALA 64 -17.499 -0.287 -4.099 502 HB2 ALA 64 1HB ALA 64 -18.155 0.592 -2.718 503 HB3 ALA 64 2HB ALA 64 -17.156 1.432 -3.905 504 HA PRO 65 HA PRO 65 -15.470 1.286 -4.950 505 HB2 PRO 65 2HB PRO 65 -14.464 3.173 -5.789 506 HB3 PRO 65 1HB PRO 65 -13.110 2.065 -6.043 507 HG2 PRO 65 1HG PRO 65 -12.011 2.766 -4.121 508 HG3 PRO 65 2HG PRO 65 -12.804 4.280 -4.593 509 HD2 PRO 65 1HD PRO 65 -13.137 3.161 -2.150 510 HD3 PRO 65 2HD PRO 65 -14.415 4.093 -2.955 511 H TYR 66 H TYR 66 -12.272 0.918 -3.416 512 HA TYR 66 HA TYR 66 -11.203 -1.152 -4.794 513 HB2 TYR 66 1HB TYR 66 -11.132 -1.306 -1.803 514 HB3 TYR 66 2HB TYR 66 -9.837 -1.581 -2.963 515 HD1 TYR 66 1HD TYR 66 -8.833 0.415 -4.149 516 HD2 TYR 66 2HD TYR 66 -11.438 0.807 -0.808 517 HE1 TYR 66 1HE TYR 66 -8.021 2.709 -3.794 518 HE2 TYR 66 2HE TYR 66 -10.635 3.103 -0.444 519 HH TYR 66 HH TYR 66 -8.692 4.757 -2.744 520 H THR 67 H THR 67 -13.666 -1.411 -2.264 521 HA THR 67 HA THR 67 -14.888 -3.202 -1.511 522 HB THR 67 HB THR 67 -15.961 -2.550 -3.698 523 HG1 THR 67 1HG THR 67 -17.121 -4.631 -3.806 524 HG21 THR 67 3HG2 THR 67 -14.339 -4.900 -4.668 525 HG22 THR 67 1HG2 THR 67 -14.308 -3.246 -5.279 526 HG23 THR 67 2HG2 THR 67 -15.734 -4.254 -5.531 527 H ILE 68 H ILE 68 -11.979 -3.693 -1.841 528 HA ILE 68 HA ILE 68 -11.143 -6.004 -2.914 529 HB ILE 68 HB ILE 68 -10.611 -5.204 -0.050 530 HG12 ILE 68 1HG1 ILE 68 -9.166 -4.527 -2.621 531 HG13 ILE 68 2HG1 ILE 68 -10.072 -3.409 -1.608 532 HG21 ILE 68 1HG2 ILE 68 -8.912 -6.720 0.046 533 HG22 ILE 68 2HG2 ILE 68 -10.010 -7.588 -1.025 534 HG23 ILE 68 3HG2 ILE 68 -8.643 -6.698 -1.696 535 HD11 ILE 68 3HD1 ILE 68 -7.336 -4.329 -1.380 536 HD12 ILE 68 1HD1 ILE 68 -8.125 -2.924 -0.663 537 HD13 ILE 68 2HD1 ILE 68 -8.235 -4.497 0.128 538 H GLU 69 H GLU 69 -12.711 -7.573 -3.187 539 HA GLU 69 HA GLU 69 -14.117 -8.673 -0.920 540 HB2 GLU 69 1HB GLU 69 -13.993 -9.654 -3.777 541 HB3 GLU 69 2HB GLU 69 -15.125 -10.197 -2.547 542 HG2 GLU 69 1HG GLU 69 -15.773 -7.678 -2.427 543 HG3 GLU 69 2HG GLU 69 -15.032 -7.611 -4.025 544 H ASN 70 H ASN 70 -11.376 -8.856 -0.537 545 HA ASN 70 HA ASN 70 -11.086 -11.730 -0.261 546 HB2 ASN 70 1HB ASN 70 -10.058 -11.053 -2.491 547 HB3 ASN 70 2HB ASN 70 -8.856 -10.164 -1.560 548 HD21 ASN 70 2HD2 ASN 70 -8.410 -14.054 -2.204 549 HD22 ASN 70 1HD2 ASN 70 -9.560 -13.048 -3.010 550 H SER 71 H SER 71 -10.808 -11.849 1.872 551 HA SER 71 HA SER 71 -9.790 -9.848 3.527 552 HB2 SER 71 1HB SER 71 -9.940 -12.838 3.958 553 HB3 SER 71 2HB SER 71 -9.539 -11.679 5.225 554 HG SER 71 HG SER 71 -11.969 -12.284 4.094 555 H SER 72 H SER 72 -8.168 -12.900 2.634 556 HA SER 72 HA SER 72 -5.728 -12.621 3.694 557 HB2 SER 72 1HB SER 72 -6.662 -14.331 1.911 558 HB3 SER 72 2HB SER 72 -5.774 -13.308 0.782 559 HG SER 72 HG SER 72 -4.693 -15.209 1.937 560 H HIS 73 H HIS 73 -6.791 -10.975 0.739 561 HA HIS 73 HA HIS 73 -4.383 -9.697 0.118 562 HB2 HIS 73 1HB HIS 73 -6.303 -9.811 -1.422 563 HB3 HIS 73 2HB HIS 73 -7.200 -8.711 -0.380 564 HD1 HIS 73 1HD HIS 73 -6.771 -6.239 -0.655 565 HD2 HIS 73 2HD HIS 73 -4.107 -8.592 -2.805 566 HE1 HIS 73 1HE HIS 73 -5.504 -4.644 -2.129 567 HE2 HIS 73 2HE HIS 73 -3.957 -6.100 -3.482 568 H ARG 74 H ARG 74 -7.126 -8.568 2.076 569 HA ARG 74 HA ARG 74 -6.088 -6.034 2.687 570 HB2 ARG 74 1HB ARG 74 -8.121 -7.821 3.977 571 HB3 ARG 74 2HB ARG 74 -7.619 -6.340 4.782 572 HG2 ARG 74 1HG ARG 74 -8.176 -5.226 2.501 573 HG3 ARG 74 2HG ARG 74 -9.122 -6.691 2.230 574 HD2 ARG 74 1HD ARG 74 -9.398 -4.844 4.598 575 HD3 ARG 74 2HD ARG 74 -10.465 -4.868 3.195 576 HE ARG 74 HE ARG 74 -10.531 -6.641 5.422 577 HH11 ARG 74 2HH1 ARG 74 -11.096 -6.448 1.992 578 HH12 ARG 74 1HH1 ARG 74 -12.252 -7.739 1.978 579 HH21 ARG 74 1HH2 ARG 74 -12.795 -8.815 3.926 580 HH22 ARG 74 2HH2 ARG 74 -12.051 -8.342 5.416 581 H ARG 75 H ARG 75 -5.832 -9.130 4.397 582 HA ARG 75 HA ARG 75 -4.510 -8.258 6.680 583 HB2 ARG 75 1HB ARG 75 -5.404 -10.537 6.382 584 HB3 ARG 75 2HB ARG 75 -4.128 -10.877 5.221 585 HG2 ARG 75 1HG ARG 75 -3.475 -10.017 8.011 586 HG3 ARG 75 2HG ARG 75 -3.852 -11.700 7.637 587 HD2 ARG 75 1HD ARG 75 -2.075 -11.462 5.790 588 HD3 ARG 75 2HD ARG 75 -1.568 -10.017 6.664 589 HE ARG 75 HE ARG 75 -1.770 -12.316 8.355 590 HH11 ARG 75 2HH1 ARG 75 0.271 -10.651 6.079 591 HH12 ARG 75 1HH1 ARG 75 1.741 -11.312 6.714 592 HH21 ARG 75 1HH2 ARG 75 1.675 -12.760 8.488 593 HH22 ARG 75 2HH2 ARG 75 0.158 -13.194 9.200 594 H VAL 76 H VAL 76 -3.170 -9.262 3.553 595 HA VAL 76 HA VAL 76 -0.456 -9.054 4.237 596 HB VAL 76 HB VAL 76 -1.724 -8.617 1.529 597 HG11 VAL 76 1HG1 VAL 76 0.984 -8.401 2.424 598 HG12 VAL 76 2HG1 VAL 76 0.837 -9.768 1.319 599 HG13 VAL 76 3HG1 VAL 76 0.325 -8.160 0.807 600 HG21 VAL 76 3HG2 VAL 76 -2.145 -10.819 2.808 601 HG22 VAL 76 1HG2 VAL 76 -1.579 -10.905 1.140 602 HG23 VAL 76 2HG2 VAL 76 -0.448 -11.160 2.470 603 H ILE 77 H ILE 77 -2.639 -6.692 2.719 604 HA ILE 77 HA ILE 77 -0.749 -4.631 2.439 605 HB ILE 77 HB ILE 77 -3.752 -4.556 2.668 606 HG12 ILE 77 1HG1 ILE 77 -1.992 -3.957 0.292 607 HG13 ILE 77 2HG1 ILE 77 -2.585 -5.575 0.646 608 HG21 ILE 77 1HG2 ILE 77 -3.214 -2.430 3.424 609 HG22 ILE 77 2HG2 ILE 77 -1.789 -2.316 2.393 610 HG23 ILE 77 3HG2 ILE 77 -3.399 -2.192 1.686 611 HD11 ILE 77 3HD1 ILE 77 -4.761 -5.030 0.145 612 HD12 ILE 77 1HD1 ILE 77 -4.508 -3.309 0.431 613 HD13 ILE 77 2HD1 ILE 77 -3.860 -4.066 -1.025 614 H LEU 78 H LEU 78 -3.346 -4.925 4.873 615 HA LEU 78 HA LEU 78 -2.618 -2.809 6.488 616 HB2 LEU 78 1HB LEU 78 -3.952 -5.427 7.079 617 HB3 LEU 78 2HB LEU 78 -3.642 -4.256 8.359 618 HG LEU 78 HG LEU 78 -5.188 -3.502 5.899 619 HD11 LEU 78 1HD1 LEU 78 -5.978 -5.493 7.696 620 HD12 LEU 78 2HD1 LEU 78 -6.980 -4.654 6.513 621 HD13 LEU 78 3HD1 LEU 78 -6.869 -4.045 8.164 622 HD21 LEU 78 3HD2 LEU 78 -4.204 -1.999 7.926 623 HD22 LEU 78 1HD2 LEU 78 -5.807 -2.392 8.548 624 HD23 LEU 78 2HD2 LEU 78 -5.640 -1.588 6.987 625 H THR 79 H THR 79 -1.827 -6.225 7.159 626 HA THR 79 HA THR 79 -0.125 -5.924 9.261 627 HB THR 79 HB THR 79 0.261 -7.850 6.962 628 HG1 THR 79 1HG THR 79 -1.808 -7.896 8.111 629 HG21 THR 79 3HG2 THR 79 2.148 -8.394 8.039 630 HG22 THR 79 1HG2 THR 79 1.104 -9.076 9.285 631 HG23 THR 79 2HG2 THR 79 1.717 -7.431 9.451 632 H GLU 80 H GLU 80 1.061 -6.219 5.905 633 HA GLU 80 HA GLU 80 3.688 -5.541 6.347 634 HB2 GLU 80 1HB GLU 80 1.910 -5.053 3.964 635 HB3 GLU 80 2HB GLU 80 3.622 -4.652 3.948 636 HG2 GLU 80 1HG GLU 80 2.823 -7.394 4.763 637 HG3 GLU 80 2HG GLU 80 2.735 -6.960 3.057 638 H LEU 81 H LEU 81 0.975 -3.355 5.672 639 HA LEU 81 HA LEU 81 2.379 -0.960 5.544 640 HB2 LEU 81 1HB LEU 81 -0.115 -1.480 5.122 641 HB3 LEU 81 2HB LEU 81 -0.314 -1.156 6.843 642 HG LEU 81 HG LEU 81 0.840 1.104 6.292 643 HD11 LEU 81 1HD1 LEU 81 0.163 1.837 3.957 644 HD12 LEU 81 2HD1 LEU 81 0.005 0.122 3.579 645 HD13 LEU 81 3HD1 LEU 81 1.564 0.773 4.082 646 HD21 LEU 81 3HD2 LEU 81 -1.966 0.245 5.796 647 HD22 LEU 81 1HD2 LEU 81 -1.497 1.890 5.366 648 HD23 LEU 81 2HD2 LEU 81 -1.315 1.328 7.028 649 H GLU 82 H GLU 82 1.118 -2.697 8.353 650 HA GLU 82 HA GLU 82 1.566 -0.789 10.318 651 HB2 GLU 82 1HB GLU 82 0.373 -2.943 10.656 652 HB3 GLU 82 2HB GLU 82 1.920 -3.777 10.599 653 HG2 GLU 82 1HG GLU 82 1.367 -3.553 12.874 654 HG3 GLU 82 2HG GLU 82 2.632 -2.368 12.553 655 H ARG 83 H ARG 83 3.798 -3.128 8.897 656 HA ARG 83 HA ARG 83 5.963 -2.585 10.644 657 HB2 ARG 83 1HB ARG 83 6.071 -3.654 7.818 658 HB3 ARG 83 2HB ARG 83 7.327 -3.800 9.040 659 HG2 ARG 83 1HG ARG 83 5.443 -4.998 10.403 660 HG3 ARG 83 2HG ARG 83 4.732 -5.238 8.806 661 HD2 ARG 83 1HD ARG 83 6.006 -7.135 8.992 662 HD3 ARG 83 2HD ARG 83 7.148 -6.052 8.197 663 HE ARG 83 HE ARG 83 8.448 -6.094 10.082 664 HH11 ARG 83 2HH1 ARG 83 5.290 -7.348 10.840 665 HH12 ARG 83 1HH1 ARG 83 5.738 -7.879 12.427 666 HH21 ARG 83 1HH2 ARG 83 7.877 -7.559 13.183 667 HH22 ARG 83 2HH2 ARG 83 9.050 -6.788 12.170 668 H VAL 84 H VAL 84 5.598 -1.719 7.199 669 HA VAL 84 HA VAL 84 7.707 -0.019 6.908 670 HB VAL 84 HB VAL 84 6.259 1.264 5.260 671 HG11 VAL 84 1HG1 VAL 84 5.939 -0.850 3.812 672 HG12 VAL 84 2HG1 VAL 84 7.569 -0.411 4.325 673 HG13 VAL 84 3HG1 VAL 84 6.696 -1.697 5.161 674 HG21 VAL 84 3HG2 VAL 84 4.095 0.115 4.703 675 HG22 VAL 84 1HG2 VAL 84 4.243 -0.751 6.232 676 HG23 VAL 84 2HG2 VAL 84 4.097 1.006 6.225 677 H ARG 85 H ARG 85 4.492 0.834 8.155 678 HA ARG 85 HA ARG 85 5.136 3.574 8.593 679 HB2 ARG 85 1HB ARG 85 2.989 3.799 9.445 680 HB3 ARG 85 2HB ARG 85 2.812 2.433 8.353 681 HG2 ARG 85 1HG ARG 85 2.873 0.884 10.177 682 HG3 ARG 85 2HG ARG 85 3.271 2.173 11.315 683 HD2 ARG 85 1HD ARG 85 0.780 2.379 9.687 684 HD3 ARG 85 2HD ARG 85 0.809 1.300 11.081 685 HE ARG 85 HE ARG 85 1.780 3.658 12.040 686 HH11 ARG 85 2HH1 ARG 85 -1.117 2.705 10.359 687 HH12 ARG 85 1HH1 ARG 85 -2.099 3.932 11.088 688 HH21 ARG 85 1HH2 ARG 85 -1.181 5.394 12.593 689 HH22 ARG 85 2HH2 ARG 85 0.496 5.277 13.007 690 H SER 86 H SER 86 4.997 0.714 10.682 691 HA SER 86 HA SER 86 5.629 2.087 13.081 692 HB2 SER 86 1HB SER 86 4.578 -0.043 13.286 693 HB3 SER 86 2HB SER 86 5.804 -0.822 12.285 694 HG SER 86 HG SER 86 6.665 -1.266 14.157 695 H GLY 87 H GLY 87 7.539 2.600 14.003 696 HA2 GLY 87 1HA GLY 87 10.016 1.389 13.417 697 HA3 GLY 87 2HA GLY 87 9.852 2.844 12.445 698 HA PRO 88 HA PRO 88 10.473 3.727 17.204 699 HB2 PRO 88 2HB PRO 88 11.152 1.759 18.177 700 HB3 PRO 88 1HB PRO 88 12.754 2.481 17.987 701 HG2 PRO 88 1HG PRO 88 13.210 1.270 16.060 702 HG3 PRO 88 2HG PRO 88 12.197 0.101 16.927 703 HD2 PRO 88 1HD PRO 88 11.624 0.949 14.420 704 HD3 PRO 88 2HD PRO 88 10.364 0.509 15.590 705 H SER 89 H SER 89 12.331 4.953 18.199 706 HA SER 89 HA SER 89 13.466 6.682 16.241 707 HB2 SER 89 1HB SER 89 13.815 6.474 19.235 708 HB3 SER 89 2HB SER 89 14.627 7.699 18.261 709 HG SER 89 HG SER 89 11.833 7.338 18.123 710 H SER 90 H SER 90 15.338 6.523 15.206 711 HA SER 90 HA SER 90 17.071 4.297 15.635 712 HB2 SER 90 1HB SER 90 16.578 5.466 13.412 713 HB3 SER 90 2HB SER 90 17.710 6.710 13.940 714 HG SER 90 HG SER 90 19.345 5.245 13.911 715 H GLY 91 H GLY 91 17.608 7.820 15.870 716 HA2 GLY 91 1HA GLY 91 18.762 8.910 17.610 717 HA3 GLY 91 2HA GLY 91 19.394 7.356 18.134 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.929 13.716 -12.156 2 HA2 GLY 1 1HA GLY 1 6.018 13.185 -13.733 3 HA3 GLY 1 2HA GLY 1 5.870 14.741 -12.929 4 H SER 2 H SER 2 8.055 12.525 -13.590 5 HA SER 2 HA SER 2 9.684 13.215 -11.294 6 HB2 SER 2 1HB SER 2 10.153 11.018 -10.558 7 HB3 SER 2 2HB SER 2 8.401 11.058 -10.754 8 HG SER 2 HG SER 2 10.282 9.587 -12.093 9 H SER 3 H SER 3 11.558 13.852 -12.103 10 HA SER 3 HA SER 3 12.341 13.356 -14.778 11 HB2 SER 3 1HB SER 3 13.603 14.680 -12.411 12 HB3 SER 3 2HB SER 3 14.607 14.303 -13.810 13 HG SER 3 HG SER 3 12.637 16.202 -13.509 14 H GLY 4 H GLY 4 14.193 12.219 -15.551 15 HA2 GLY 4 1HA GLY 4 15.328 10.223 -15.777 16 HA3 GLY 4 2HA GLY 4 15.978 10.663 -14.205 17 H SER 5 H SER 5 13.708 8.679 -15.924 18 HA SER 5 HA SER 5 12.188 7.633 -13.857 19 HB2 SER 5 1HB SER 5 11.649 5.840 -15.308 20 HB3 SER 5 2HB SER 5 11.976 7.207 -16.374 21 HG SER 5 HG SER 5 13.877 6.321 -16.954 22 H SER 6 H SER 6 12.700 6.540 -12.091 23 HA SER 6 HA SER 6 14.528 4.374 -12.054 24 HB2 SER 6 1HB SER 6 15.981 6.562 -12.043 25 HB3 SER 6 2HB SER 6 15.507 6.634 -10.346 26 HG SER 6 HG SER 6 17.469 5.480 -10.670 27 H GLY 7 H GLY 7 14.187 3.088 -10.302 28 HA2 GLY 7 1HA GLY 7 12.649 4.215 -8.057 29 HA3 GLY 7 2HA GLY 7 12.076 2.767 -8.871 30 H GLU 8 H GLU 8 13.192 3.483 -6.082 31 HA GLU 8 HA GLU 8 15.152 1.284 -5.963 32 HB2 GLU 8 1HB GLU 8 15.881 3.691 -5.351 33 HB3 GLU 8 2HB GLU 8 14.943 3.445 -3.885 34 HG2 GLU 8 1HG GLU 8 16.321 1.595 -3.241 35 HG3 GLU 8 2HG GLU 8 17.182 1.647 -4.778 36 H HIS 9 H HIS 9 14.943 -0.258 -4.361 37 HA HIS 9 HA HIS 9 12.412 -0.184 -2.851 38 HB2 HIS 9 1HB HIS 9 12.503 -2.698 -2.962 39 HB3 HIS 9 2HB HIS 9 12.238 -1.901 -4.510 40 HD1 HIS 9 1HD HIS 9 14.283 -4.414 -2.948 41 HD2 HIS 9 2HD HIS 9 14.781 -1.688 -6.044 42 HE1 HIS 9 1HE HIS 9 16.247 -5.255 -4.275 43 HE2 HIS 9 2HE HIS 9 16.582 -3.545 -6.092 44 H GLY 10 H GLY 10 13.018 0.446 -0.853 45 HA2 GLY 10 1HA GLY 10 14.074 -1.228 1.013 46 HA3 GLY 10 2HA GLY 10 15.489 -0.431 0.341 47 H LEU 11 H LEU 11 14.367 2.115 -0.110 48 HA LEU 11 HA LEU 11 14.552 3.185 2.545 49 HB2 LEU 11 1HB LEU 11 14.619 5.303 1.538 50 HB3 LEU 11 2HB LEU 11 15.482 4.228 0.440 51 HG LEU 11 HG LEU 11 14.215 5.611 -0.954 52 HD11 LEU 11 1HD1 LEU 11 14.006 3.330 -1.643 53 HD12 LEU 11 2HD1 LEU 11 12.451 4.124 -1.885 54 HD13 LEU 11 3HD1 LEU 11 12.688 3.054 -0.504 55 HD21 LEU 11 3HD2 LEU 11 11.617 5.089 0.389 56 HD22 LEU 11 1HD2 LEU 11 12.162 6.501 -0.517 57 HD23 LEU 11 2HD2 LEU 11 12.721 6.245 1.136 58 H LEU 12 H LEU 12 12.066 1.742 1.035 59 HA LEU 12 HA LEU 12 9.883 3.464 1.331 60 HB2 LEU 12 1HB LEU 12 10.214 0.499 1.268 61 HB3 LEU 12 2HB LEU 12 8.646 1.184 1.692 62 HG LEU 12 HG LEU 12 10.082 1.861 -0.866 63 HD11 LEU 12 1HD1 LEU 12 8.441 -0.502 -0.148 64 HD12 LEU 12 2HD1 LEU 12 9.766 -0.347 -1.300 65 HD13 LEU 12 3HD1 LEU 12 8.159 0.246 -1.720 66 HD21 LEU 12 3HD2 LEU 12 7.279 2.229 0.162 67 HD22 LEU 12 1HD2 LEU 12 7.703 2.379 -1.544 68 HD23 LEU 12 2HD2 LEU 12 8.424 3.466 -0.357 69 H VAL 13 H VAL 13 11.022 0.919 3.558 70 HA VAL 13 HA VAL 13 9.237 1.424 5.633 71 HB VAL 13 HB VAL 13 10.860 0.324 7.118 72 HG11 VAL 13 1HG1 VAL 13 9.777 -1.407 6.191 73 HG12 VAL 13 2HG1 VAL 13 9.952 -0.767 4.556 74 HG13 VAL 13 3HG1 VAL 13 11.277 -1.663 5.300 75 HG21 VAL 13 3HG2 VAL 13 12.982 1.002 6.588 76 HG22 VAL 13 1HG2 VAL 13 12.951 -0.567 5.783 77 HG23 VAL 13 2HG2 VAL 13 12.697 0.907 4.850 78 H HIS 14 H HIS 14 12.373 2.887 4.923 79 HA HIS 14 HA HIS 14 12.636 4.373 7.296 80 HB2 HIS 14 1HB HIS 14 13.826 4.509 4.566 81 HB3 HIS 14 2HB HIS 14 14.018 5.908 5.619 82 HD1 HIS 14 1HD HIS 14 14.536 2.143 5.929 83 HD2 HIS 14 2HD HIS 14 16.264 5.736 7.098 84 HE1 HIS 14 1HE HIS 14 16.623 1.509 7.181 85 HE2 HIS 14 2HE HIS 14 17.606 3.696 7.951 86 H LYS 15 H LYS 15 11.545 5.453 4.075 87 HA LYS 15 HA LYS 15 10.647 7.983 5.033 88 HB2 LYS 15 1HB LYS 15 11.330 7.743 2.725 89 HB3 LYS 15 2HB LYS 15 10.106 6.511 2.450 90 HG2 LYS 15 1HG LYS 15 8.406 8.317 3.059 91 HG3 LYS 15 2HG LYS 15 9.737 9.457 2.856 92 HD2 LYS 15 1HD LYS 15 10.075 8.641 0.566 93 HD3 LYS 15 2HD LYS 15 8.730 7.517 0.773 94 HE2 LYS 15 1HE LYS 15 7.149 9.211 0.782 95 HE3 LYS 15 2HE LYS 15 8.323 10.441 1.246 96 HZ1 LYS 15 3HZ LYS 15 7.478 10.407 -1.155 97 HZ2 LYS 15 1HZ LYS 15 8.513 9.085 -1.367 98 HZ3 LYS 15 2HZ LYS 15 9.142 10.585 -0.902 99 H ALA 16 H ALA 16 8.827 8.441 6.068 100 HA ALA 16 HA ALA 16 6.948 6.628 6.923 101 HB1 ALA 16 3HB ALA 16 7.184 8.866 7.867 102 HB2 ALA 16 1HB ALA 16 6.502 9.564 6.398 103 HB3 ALA 16 2HB ALA 16 5.508 8.534 7.429 104 H VAL 17 H VAL 17 5.146 5.706 6.123 105 HA VAL 17 HA VAL 17 4.695 5.568 3.368 106 HB VAL 17 HB VAL 17 2.760 4.929 5.600 107 HG11 VAL 17 1HG1 VAL 17 2.501 3.340 3.209 108 HG12 VAL 17 2HG1 VAL 17 1.282 4.281 4.070 109 HG13 VAL 17 3HG1 VAL 17 2.296 5.054 2.852 110 HG21 VAL 17 3HG2 VAL 17 5.073 3.785 5.507 111 HG22 VAL 17 1HG2 VAL 17 3.636 2.775 5.667 112 HG23 VAL 17 2HG2 VAL 17 4.427 2.941 4.099 113 H ASP 18 H ASP 18 3.324 7.657 5.826 114 HA ASP 18 HA ASP 18 1.177 8.671 4.284 115 HB2 ASP 18 1HB ASP 18 0.778 10.105 6.046 116 HB3 ASP 18 2HB ASP 18 1.704 8.847 6.859 117 H LYS 19 H LYS 19 4.413 8.927 3.759 118 HA LYS 19 HA LYS 19 4.162 11.573 2.488 119 HB2 LYS 19 1HB LYS 19 6.408 10.200 3.869 120 HB3 LYS 19 2HB LYS 19 6.815 11.197 2.478 121 HG2 LYS 19 1HG LYS 19 7.024 12.512 4.465 122 HG3 LYS 19 2HG LYS 19 5.632 13.092 3.547 123 HD2 LYS 19 1HD LYS 19 4.154 11.764 5.014 124 HD3 LYS 19 2HD LYS 19 5.563 11.274 5.956 125 HE2 LYS 19 1HE LYS 19 4.963 14.173 5.513 126 HE3 LYS 19 2HE LYS 19 4.117 13.268 6.767 127 HZ1 LYS 19 3HZ LYS 19 5.919 13.243 8.062 128 HZ2 LYS 19 1HZ LYS 19 6.499 14.492 7.079 129 HZ3 LYS 19 2HZ LYS 19 6.972 12.895 6.784 130 H TRP 20 H TRP 20 4.064 8.370 1.803 131 HA TRP 20 HA TRP 20 5.730 8.151 -0.473 132 HB2 TRP 20 1HB TRP 20 3.256 6.615 0.339 133 HB3 TRP 20 2HB TRP 20 4.276 6.182 -1.031 134 HD1 TRP 20 HD TRP 20 6.499 7.376 1.618 135 HE1 TRP 20 1HE TRP 20 7.532 5.409 2.917 136 HE3 TRP 20 3HE TRP 20 3.447 3.621 -0.033 137 HZ2 TRP 20 2HZ TRP 20 7.109 2.633 3.204 138 HZ3 TRP 20 3HZ TRP 20 3.829 1.339 0.803 139 HH2 TRP 20 HH TRP 20 5.623 0.857 2.387 140 H THR 21 H THR 21 4.855 7.748 -2.706 141 HA THR 21 HA THR 21 2.767 9.735 -3.329 142 HB THR 21 HB THR 21 3.922 9.797 -5.626 143 HG1 THR 21 1HG THR 21 5.567 8.481 -5.779 144 HG21 THR 21 3HG2 THR 21 5.500 11.495 -4.891 145 HG22 THR 21 1HG2 THR 21 5.416 10.889 -3.238 146 HG23 THR 21 2HG2 THR 21 3.998 11.631 -3.978 147 H THR 22 H THR 22 1.510 9.313 -5.290 148 HA THR 22 HA THR 22 0.086 7.036 -5.325 149 HB THR 22 HB THR 22 0.780 8.102 -8.024 150 HG1 THR 22 1HG THR 22 -0.551 9.565 -5.972 151 HG21 THR 22 3HG2 THR 22 -0.986 6.513 -7.957 152 HG22 THR 22 1HG2 THR 22 -1.745 8.090 -8.168 153 HG23 THR 22 2HG2 THR 22 -1.748 7.315 -6.584 154 H GLU 23 H GLU 23 3.248 7.470 -6.784 155 HA GLU 23 HA GLU 23 3.241 4.938 -8.133 156 HB2 GLU 23 1HB GLU 23 4.691 7.186 -8.464 157 HB3 GLU 23 2HB GLU 23 5.821 6.248 -7.499 158 HG2 GLU 23 1HG GLU 23 6.007 6.087 -10.031 159 HG3 GLU 23 2HG GLU 23 6.011 4.583 -9.113 160 H GLU 24 H GLU 24 5.278 6.168 -5.470 161 HA GLU 24 HA GLU 24 6.448 3.828 -4.683 162 HB2 GLU 24 1HB GLU 24 5.441 5.960 -2.792 163 HB3 GLU 24 2HB GLU 24 6.739 4.815 -2.483 164 HG2 GLU 24 1HG GLU 24 8.094 5.835 -4.207 165 HG3 GLU 24 2HG GLU 24 6.782 6.939 -4.614 166 H VAL 25 H VAL 25 3.257 5.036 -3.737 167 HA VAL 25 HA VAL 25 2.556 3.184 -1.820 168 HB VAL 25 HB VAL 25 0.767 4.382 -3.939 169 HG11 VAL 25 1HG1 VAL 25 -0.158 3.428 -1.258 170 HG12 VAL 25 2HG1 VAL 25 -1.091 3.705 -2.730 171 HG13 VAL 25 3HG1 VAL 25 -0.026 2.304 -2.610 172 HG21 VAL 25 3HG2 VAL 25 2.108 5.516 -1.682 173 HG22 VAL 25 1HG2 VAL 25 1.047 6.299 -2.853 174 HG23 VAL 25 2HG2 VAL 25 0.367 5.554 -1.406 175 H VAL 26 H VAL 26 2.156 2.913 -5.343 176 HA VAL 26 HA VAL 26 1.034 0.299 -5.251 177 HB VAL 26 HB VAL 26 2.349 1.769 -7.539 178 HG11 VAL 26 1HG1 VAL 26 2.389 -0.619 -7.945 179 HG12 VAL 26 2HG1 VAL 26 0.674 -0.740 -7.545 180 HG13 VAL 26 3HG1 VAL 26 1.185 0.148 -8.981 181 HG21 VAL 26 3HG2 VAL 26 0.009 2.374 -6.255 182 HG22 VAL 26 1HG2 VAL 26 0.396 2.797 -7.923 183 HG23 VAL 26 2HG2 VAL 26 -0.544 1.346 -7.577 184 H LEU 27 H LEU 27 4.288 1.563 -5.478 185 HA LEU 27 HA LEU 27 5.598 -0.767 -6.344 186 HB2 LEU 27 1HB LEU 27 6.391 1.734 -4.963 187 HB3 LEU 27 2HB LEU 27 7.513 0.377 -4.887 188 HG LEU 27 HG LEU 27 6.511 1.750 -7.379 189 HD11 LEU 27 1HD1 LEU 27 8.871 2.045 -5.673 190 HD12 LEU 27 2HD1 LEU 27 8.167 3.159 -6.843 191 HD13 LEU 27 3HD1 LEU 27 9.230 1.863 -7.391 192 HD21 LEU 27 3HD2 LEU 27 8.450 0.212 -8.302 193 HD22 LEU 27 1HD2 LEU 27 6.790 -0.371 -8.176 194 HD23 LEU 27 2HD2 LEU 27 7.972 -0.802 -6.940 195 H TRP 28 H TRP 28 5.179 0.519 -3.045 196 HA TRP 28 HA TRP 28 6.382 -1.597 -1.685 197 HB2 TRP 28 1HB TRP 28 5.981 0.317 -0.398 198 HB3 TRP 28 2HB TRP 28 4.300 0.427 -0.914 199 HD1 TRP 28 HD TRP 28 6.556 -1.582 1.474 200 HE1 TRP 28 1HE TRP 28 5.075 -2.613 3.309 201 HE3 TRP 28 3HE TRP 28 1.966 -0.272 -0.357 202 HZ2 TRP 28 2HZ TRP 28 2.325 -2.841 3.902 203 HZ3 TRP 28 3HZ TRP 28 -0.040 -0.936 0.904 204 HH2 TRP 28 HH TRP 28 0.138 -2.195 2.989 205 H LEU 29 H LEU 29 3.038 -1.167 -2.746 206 HA LEU 29 HA LEU 29 2.103 -3.578 -1.520 207 HB2 LEU 29 1HB LEU 29 0.489 -1.903 -1.855 208 HB3 LEU 29 2HB LEU 29 0.955 -1.677 -3.540 209 HG LEU 29 HG LEU 29 0.088 -4.130 -3.805 210 HD11 LEU 29 1HD1 LEU 29 -0.260 -4.585 -1.455 211 HD12 LEU 29 2HD1 LEU 29 -1.803 -4.605 -2.307 212 HD13 LEU 29 3HD1 LEU 29 -1.357 -3.210 -1.324 213 HD21 LEU 29 3HD2 LEU 29 -1.198 -2.802 -5.069 214 HD22 LEU 29 1HD2 LEU 29 -1.236 -1.523 -3.856 215 HD23 LEU 29 2HD2 LEU 29 -2.345 -2.889 -3.731 216 H GLU 30 H GLU 30 3.572 -2.750 -4.547 217 HA GLU 30 HA GLU 30 2.755 -5.145 -5.915 218 HB2 GLU 30 1HB GLU 30 4.524 -2.825 -6.527 219 HB3 GLU 30 2HB GLU 30 4.763 -4.307 -7.442 220 HG2 GLU 30 1HG GLU 30 2.285 -4.228 -7.951 221 HG3 GLU 30 2HG GLU 30 2.308 -2.589 -7.304 222 H GLN 31 H GLN 31 4.545 -4.939 -3.326 223 HA GLN 31 HA GLN 31 6.583 -6.856 -4.248 224 HB2 GLN 31 1HB GLN 31 6.633 -4.850 -2.000 225 HB3 GLN 31 2HB GLN 31 7.777 -6.183 -2.093 226 HG2 GLN 31 1HG GLN 31 8.728 -5.361 -4.086 227 HG3 GLN 31 2HG GLN 31 7.410 -4.216 -4.329 228 HE21 GLN 31 2HE2 GLN 31 8.732 -1.741 -2.264 229 HE22 GLN 31 1HE2 GLN 31 7.361 -2.319 -3.140 230 H LEU 32 H LEU 32 4.011 -6.229 -1.996 231 HA LEU 32 HA LEU 32 4.476 -8.289 -0.152 232 HB2 LEU 32 1HB LEU 32 1.716 -7.475 -0.969 233 HB3 LEU 32 2HB LEU 32 2.317 -7.918 0.627 234 HG LEU 32 HG LEU 32 2.790 -5.325 -0.837 235 HD11 LEU 32 1HD1 LEU 32 0.573 -5.885 0.396 236 HD12 LEU 32 2HD1 LEU 32 1.361 -4.333 0.677 237 HD13 LEU 32 3HD1 LEU 32 1.532 -5.634 1.855 238 HD21 LEU 32 3HD2 LEU 32 3.642 -5.371 1.914 239 HD22 LEU 32 1HD2 LEU 32 4.535 -4.897 0.468 240 HD23 LEU 32 2HD2 LEU 32 4.503 -6.587 0.969 241 H GLY 33 H GLY 33 3.291 -8.350 -3.397 242 HA2 GLY 33 1HA GLY 33 3.558 -11.104 -3.707 243 HA3 GLY 33 2HA GLY 33 1.875 -10.801 -3.303 244 HA PRO 34 HA PRO 34 2.813 -10.184 -7.923 245 HB2 PRO 34 2HB PRO 34 3.339 -12.366 -8.416 246 HB3 PRO 34 1HB PRO 34 1.629 -12.441 -8.858 247 HG2 PRO 34 1HG PRO 34 1.020 -13.418 -6.842 248 HG3 PRO 34 2HG PRO 34 2.641 -14.107 -7.043 249 HD2 PRO 34 1HD PRO 34 1.911 -12.722 -4.834 250 HD3 PRO 34 2HD PRO 34 3.570 -12.706 -5.466 251 H TRP 35 H TRP 35 0.069 -11.199 -6.013 252 HA TRP 35 HA TRP 35 -1.949 -10.614 -7.917 253 HB2 TRP 35 1HB TRP 35 -3.438 -10.530 -5.852 254 HB3 TRP 35 2HB TRP 35 -2.559 -12.033 -6.120 255 HD1 TRP 35 HD TRP 35 -1.238 -12.923 -4.110 256 HE1 TRP 35 1HE TRP 35 -0.466 -11.965 -1.849 257 HE3 TRP 35 3HE TRP 35 -2.651 -8.054 -4.768 258 HZ2 TRP 35 2HZ TRP 35 -0.458 -9.474 -0.521 259 HZ3 TRP 35 3HZ TRP 35 -2.226 -6.447 -2.954 260 HH2 TRP 35 HH TRP 35 -1.152 -7.145 -0.875 261 H ALA 36 H ALA 36 0.068 -8.635 -6.027 262 HA ALA 36 HA ALA 36 -1.574 -6.424 -5.521 263 HB1 ALA 36 3HB ALA 36 0.546 -6.563 -4.447 264 HB2 ALA 36 1HB ALA 36 1.394 -6.609 -5.993 265 HB3 ALA 36 2HB ALA 36 0.575 -5.133 -5.480 266 H SER 37 H SER 37 -0.123 -7.565 -8.447 267 HA SER 37 HA SER 37 -0.204 -5.108 -9.887 268 HB2 SER 37 1HB SER 37 1.102 -7.324 -10.394 269 HB3 SER 37 2HB SER 37 -0.374 -7.777 -11.247 270 HG SER 37 HG SER 37 1.424 -5.681 -11.785 271 H LEU 38 H LEU 38 -2.602 -7.264 -8.874 272 HA LEU 38 HA LEU 38 -4.435 -6.726 -11.053 273 HB2 LEU 38 1HB LEU 38 -4.964 -8.089 -8.418 274 HB3 LEU 38 2HB LEU 38 -5.992 -8.121 -9.849 275 HG LEU 38 HG LEU 38 -3.219 -9.203 -10.041 276 HD11 LEU 38 1HD1 LEU 38 -5.495 -10.893 -9.061 277 HD12 LEU 38 2HD1 LEU 38 -4.372 -10.107 -7.952 278 HD13 LEU 38 3HD1 LEU 38 -3.776 -11.282 -9.124 279 HD21 LEU 38 3HD2 LEU 38 -4.055 -9.552 -12.082 280 HD22 LEU 38 1HD2 LEU 38 -5.712 -9.265 -11.549 281 HD23 LEU 38 2HD2 LEU 38 -4.983 -10.858 -11.342 282 H TYR 39 H TYR 39 -3.517 -5.235 -8.155 283 HA TYR 39 HA TYR 39 -6.031 -3.705 -8.053 284 HB2 TYR 39 1HB TYR 39 -3.945 -3.974 -5.880 285 HB3 TYR 39 2HB TYR 39 -5.512 -3.183 -5.742 286 HD1 TYR 39 1HD TYR 39 -3.941 -6.494 -6.400 287 HD2 TYR 39 2HD TYR 39 -7.376 -4.393 -5.026 288 HE1 TYR 39 1HE TYR 39 -4.940 -8.619 -5.667 289 HE2 TYR 39 2HE TYR 39 -8.383 -6.511 -4.288 290 HH TYR 39 HH TYR 39 -6.811 -9.613 -4.922 291 H ARG 40 H ARG 40 -2.572 -3.531 -8.394 292 HA ARG 40 HA ARG 40 -1.807 -1.029 -7.879 293 HB2 ARG 40 1HB ARG 40 -0.235 -1.143 -9.650 294 HB3 ARG 40 2HB ARG 40 -0.509 -2.803 -9.139 295 HG2 ARG 40 1HG ARG 40 -2.143 -3.015 -11.029 296 HG3 ARG 40 2HG ARG 40 -1.590 -1.434 -11.587 297 HD2 ARG 40 1HD ARG 40 0.780 -2.604 -11.334 298 HD3 ARG 40 2HD ARG 40 -0.191 -4.054 -11.585 299 HE ARG 40 HE ARG 40 -0.962 -2.344 -13.575 300 HH11 ARG 40 2HH1 ARG 40 2.059 -3.715 -12.519 301 HH12 ARG 40 1HH1 ARG 40 2.763 -3.712 -14.102 302 HH21 ARG 40 1HH2 ARG 40 1.565 -2.927 -15.890 303 HH22 ARG 40 2HH2 ARG 40 -0.046 -2.336 -15.664 304 H ASP 41 H ASP 41 -3.669 -1.911 -10.779 305 HA ASP 41 HA ASP 41 -3.864 0.586 -11.953 306 HB2 ASP 41 1HB ASP 41 -4.763 -1.802 -12.667 307 HB3 ASP 41 2HB ASP 41 -6.264 -1.189 -11.979 308 H ARG 42 H ARG 42 -5.921 -0.851 -9.450 309 HA ARG 42 HA ARG 42 -7.786 1.249 -9.295 310 HB2 ARG 42 1HB ARG 42 -6.946 -0.581 -7.043 311 HB3 ARG 42 2HB ARG 42 -8.472 0.279 -7.197 312 HG2 ARG 42 1HG ARG 42 -8.623 -1.113 -9.436 313 HG3 ARG 42 2HG ARG 42 -7.535 -2.186 -8.553 314 HD2 ARG 42 1HD ARG 42 -9.535 -3.047 -7.878 315 HD3 ARG 42 2HD ARG 42 -9.315 -1.818 -6.633 316 HE ARG 42 HE ARG 42 -11.183 -0.791 -7.427 317 HH11 ARG 42 2HH1 ARG 42 -9.840 -2.745 -9.976 318 HH12 ARG 42 1HH1 ARG 42 -11.126 -2.412 -11.087 319 HH21 ARG 42 1HH2 ARG 42 -12.856 -1.045 -10.464 320 HH22 ARG 42 2HH2 ARG 42 -12.883 -0.344 -8.881 321 H PHE 43 H PHE 43 -4.620 0.806 -7.892 322 HA PHE 43 HA PHE 43 -4.819 2.868 -5.944 323 HB2 PHE 43 1HB PHE 43 -2.524 1.374 -7.184 324 HB3 PHE 43 2HB PHE 43 -2.235 2.730 -6.099 325 HD1 PHE 43 2HD PHE 43 -4.309 -0.372 -6.222 326 HD2 PHE 43 1HD PHE 43 -1.890 2.241 -3.890 327 HE1 PHE 43 2HE PHE 43 -4.557 -1.872 -4.289 328 HE2 PHE 43 1HE PHE 43 -2.134 0.744 -1.953 329 HZ PHE 43 HZ PHE 43 -3.470 -1.315 -2.150 330 H LEU 44 H LEU 44 -3.129 2.747 -9.082 331 HA LEU 44 HA LEU 44 -2.371 5.438 -9.143 332 HB2 LEU 44 1HB LEU 44 -2.887 3.452 -11.342 333 HB3 LEU 44 2HB LEU 44 -2.279 5.078 -11.649 334 HG LEU 44 HG LEU 44 -0.401 3.656 -11.694 335 HD11 LEU 44 1HD1 LEU 44 -0.403 4.765 -8.898 336 HD12 LEU 44 2HD1 LEU 44 -0.214 5.765 -10.338 337 HD13 LEU 44 3HD1 LEU 44 0.976 4.517 -9.969 338 HD21 LEU 44 3HD2 LEU 44 -1.518 1.733 -10.584 339 HD22 LEU 44 1HD2 LEU 44 -1.245 2.522 -9.031 340 HD23 LEU 44 2HD2 LEU 44 0.128 2.020 -10.017 341 H SER 45 H SER 45 -5.125 3.867 -10.777 342 HA SER 45 HA SER 45 -6.288 6.087 -11.913 343 HB2 SER 45 1HB SER 45 -6.967 3.544 -11.952 344 HB3 SER 45 2HB SER 45 -8.056 4.024 -10.651 345 HG SER 45 HG SER 45 -9.298 4.904 -12.087 346 H GLU 46 H GLU 46 -6.980 4.745 -8.686 347 HA GLU 46 HA GLU 46 -8.661 6.959 -7.971 348 HB2 GLU 46 1HB GLU 46 -7.517 4.661 -6.384 349 HB3 GLU 46 2HB GLU 46 -8.550 5.895 -5.676 350 HG2 GLU 46 1HG GLU 46 -9.328 4.101 -7.963 351 HG3 GLU 46 2HG GLU 46 -9.764 3.843 -6.274 352 H ARG 47 H ARG 47 -5.529 6.988 -8.515 353 HA ARG 47 HA ARG 47 -3.696 8.110 -7.736 354 HB2 ARG 47 1HB ARG 47 -5.925 9.991 -6.947 355 HB3 ARG 47 2HB ARG 47 -4.221 10.422 -6.909 356 HG2 ARG 47 1HG ARG 47 -5.615 9.472 -9.396 357 HG3 ARG 47 2HG ARG 47 -5.501 11.172 -8.936 358 HD2 ARG 47 1HD ARG 47 -3.060 9.440 -9.129 359 HD3 ARG 47 2HD ARG 47 -3.744 10.217 -10.556 360 HE ARG 47 HE ARG 47 -3.389 12.116 -8.497 361 HH11 ARG 47 2HH1 ARG 47 -1.586 10.213 -10.788 362 HH12 ARG 47 1HH1 ARG 47 -0.275 11.341 -10.892 363 HH21 ARG 47 1HH2 ARG 47 -0.324 13.273 -9.661 364 HH22 ARG 47 2HH2 ARG 47 -1.670 13.610 -8.626 365 H VAL 48 H VAL 48 -4.721 6.133 -5.929 366 HA VAL 48 HA VAL 48 -4.911 7.021 -3.277 367 HB VAL 48 HB VAL 48 -3.905 4.379 -4.341 368 HG11 VAL 48 1HG1 VAL 48 -3.294 3.907 -2.257 369 HG12 VAL 48 2HG1 VAL 48 -3.942 5.436 -1.662 370 HG13 VAL 48 3HG1 VAL 48 -4.991 4.025 -1.794 371 HG21 VAL 48 3HG2 VAL 48 -6.600 5.013 -3.162 372 HG22 VAL 48 1HG2 VAL 48 -6.265 5.105 -4.891 373 HG23 VAL 48 2HG2 VAL 48 -6.108 3.567 -4.043 374 H ASN 49 H ASN 49 -3.388 8.452 -2.598 375 HA ASN 49 HA ASN 49 -0.565 7.873 -3.009 376 HB2 ASN 49 1HB ASN 49 -0.132 10.083 -2.301 377 HB3 ASN 49 2HB ASN 49 -1.621 10.197 -3.234 378 HD21 ASN 49 2HD2 ASN 49 -1.919 12.109 -0.056 379 HD22 ASN 49 1HD2 ASN 49 -0.787 12.097 -1.361 380 H GLY 50 H GLY 50 0.954 7.912 -1.215 381 HA2 GLY 50 1HA GLY 50 0.692 6.065 0.689 382 HA3 GLY 50 2HA GLY 50 1.605 7.536 0.991 383 H ARG 51 H ARG 51 0.082 9.471 1.554 384 HA ARG 51 HA ARG 51 -0.935 9.171 4.044 385 HB2 ARG 51 1HB ARG 51 -0.698 11.285 2.496 386 HB3 ARG 51 2HB ARG 51 -2.405 10.996 2.184 387 HG2 ARG 51 1HG ARG 51 -1.309 11.230 4.967 388 HG3 ARG 51 2HG ARG 51 -1.824 12.634 4.030 389 HD2 ARG 51 1HD ARG 51 -4.052 11.642 3.786 390 HD3 ARG 51 2HD ARG 51 -3.532 10.250 4.735 391 HE ARG 51 HE ARG 51 -3.764 11.500 6.645 392 HH11 ARG 51 2HH1 ARG 51 -3.855 13.598 3.867 393 HH12 ARG 51 1HH1 ARG 51 -4.336 14.993 4.774 394 HH21 ARG 51 1HH2 ARG 51 -4.643 14.841 7.040 395 HH22 ARG 51 2HH2 ARG 51 -4.396 13.331 7.850 396 H LEU 52 H LEU 52 -2.824 8.901 1.041 397 HA LEU 52 HA LEU 52 -5.287 8.319 2.256 398 HB2 LEU 52 1HB LEU 52 -4.915 8.996 -0.123 399 HB3 LEU 52 2HB LEU 52 -4.339 7.360 -0.438 400 HG LEU 52 HG LEU 52 -6.720 7.873 -1.118 401 HD11 LEU 52 1HD1 LEU 52 -7.521 5.703 -0.475 402 HD12 LEU 52 2HD1 LEU 52 -6.361 5.621 0.851 403 HD13 LEU 52 3HD1 LEU 52 -5.795 5.594 -0.819 404 HD21 LEU 52 3HD2 LEU 52 -8.351 8.314 0.396 405 HD22 LEU 52 1HD2 LEU 52 -6.995 9.027 1.271 406 HD23 LEU 52 2HD2 LEU 52 -7.557 7.406 1.684 407 H LEU 53 H LEU 53 -2.806 6.150 0.914 408 HA LEU 53 HA LEU 53 -4.020 3.717 1.322 409 HB2 LEU 53 1HB LEU 53 -1.716 4.320 0.313 410 HB3 LEU 53 2HB LEU 53 -1.118 4.101 1.956 411 HG LEU 53 HG LEU 53 -2.374 2.030 0.165 412 HD11 LEU 53 1HD1 LEU 53 0.088 1.265 1.359 413 HD12 LEU 53 2HD1 LEU 53 0.292 2.859 0.632 414 HD13 LEU 53 3HD1 LEU 53 -0.284 1.510 -0.348 415 HD21 LEU 53 3HD2 LEU 53 -3.272 1.483 2.244 416 HD22 LEU 53 1HD2 LEU 53 -1.826 2.000 3.112 417 HD23 LEU 53 2HD2 LEU 53 -1.800 0.515 2.161 418 H LEU 54 H LEU 54 -2.208 5.664 3.658 419 HA LEU 54 HA LEU 54 -2.238 3.815 5.773 420 HB2 LEU 54 1HB LEU 54 -1.948 6.783 5.593 421 HB3 LEU 54 2HB LEU 54 -2.100 6.011 7.170 422 HG LEU 54 HG LEU 54 0.066 5.462 5.141 423 HD11 LEU 54 1HD1 LEU 54 1.457 6.846 6.301 424 HD12 LEU 54 2HD1 LEU 54 0.573 6.654 7.814 425 HD13 LEU 54 3HD1 LEU 54 -0.070 7.694 6.544 426 HD21 LEU 54 3HD2 LEU 54 -0.158 3.470 6.312 427 HD22 LEU 54 1HD2 LEU 54 -0.598 4.285 7.813 428 HD23 LEU 54 2HD2 LEU 54 1.069 4.335 7.239 429 H THR 55 H THR 55 -4.349 6.637 5.219 430 HA THR 55 HA THR 55 -6.081 6.361 7.321 431 HB THR 55 HB THR 55 -7.768 7.509 6.007 432 HG1 THR 55 1HG THR 55 -6.114 7.149 3.722 433 HG21 THR 55 3HG2 THR 55 -6.007 9.198 4.831 434 HG22 THR 55 1HG2 THR 55 -4.943 8.345 5.948 435 HG23 THR 55 2HG2 THR 55 -6.364 9.192 6.558 436 H LEU 56 H LEU 56 -6.010 4.515 4.333 437 HA LEU 56 HA LEU 56 -8.502 3.259 4.524 438 HB2 LEU 56 1HB LEU 56 -5.918 2.238 3.357 439 HB3 LEU 56 2HB LEU 56 -7.496 1.495 3.105 440 HG LEU 56 HG LEU 56 -6.877 4.323 2.278 441 HD11 LEU 56 1HD1 LEU 56 -6.104 3.653 0.241 442 HD12 LEU 56 2HD1 LEU 56 -6.945 2.104 0.303 443 HD13 LEU 56 3HD1 LEU 56 -5.471 2.345 1.240 444 HD21 LEU 56 3HD2 LEU 56 -9.269 3.342 2.581 445 HD22 LEU 56 1HD2 LEU 56 -8.918 2.506 1.068 446 HD23 LEU 56 2HD2 LEU 56 -8.879 4.268 1.131 447 H THR 57 H THR 57 -9.256 1.534 5.628 448 HA THR 57 HA THR 57 -7.367 0.065 7.344 449 HB THR 57 HB THR 57 -8.894 0.068 9.180 450 HG1 THR 57 1HG THR 57 -10.699 0.807 7.232 451 HG21 THR 57 3HG2 THR 57 -8.647 2.819 7.965 452 HG22 THR 57 1HG2 THR 57 -7.549 2.053 9.112 453 HG23 THR 57 2HG2 THR 57 -9.173 2.516 9.621 454 H GLU 58 H GLU 58 -8.441 -1.979 8.243 455 HA GLU 58 HA GLU 58 -8.957 -3.781 6.274 456 HB2 GLU 58 1HB GLU 58 -8.644 -4.107 8.839 457 HB3 GLU 58 2HB GLU 58 -10.400 -4.044 8.892 458 HG2 GLU 58 1HG GLU 58 -10.594 -5.965 7.508 459 HG3 GLU 58 2HG GLU 58 -8.869 -5.949 7.144 460 H GLU 59 H GLU 59 -11.156 -1.455 7.596 461 HA GLU 59 HA GLU 59 -13.535 -2.703 6.571 462 HB2 GLU 59 1HB GLU 59 -14.184 -1.389 8.304 463 HB3 GLU 59 2HB GLU 59 -12.868 -0.247 8.069 464 HG2 GLU 59 1HG GLU 59 -14.058 1.047 6.624 465 HG3 GLU 59 2HG GLU 59 -15.038 -0.300 6.048 466 H GLU 60 H GLU 60 -12.030 0.445 5.814 467 HA GLU 60 HA GLU 60 -13.388 1.092 3.550 468 HB2 GLU 60 1HB GLU 60 -10.446 1.479 4.115 469 HB3 GLU 60 2HB GLU 60 -11.297 2.258 2.788 470 HG2 GLU 60 1HG GLU 60 -11.407 3.911 4.337 471 HG3 GLU 60 2HG GLU 60 -12.896 3.049 4.722 472 H PHE 61 H PHE 61 -10.445 -0.907 3.667 473 HA PHE 61 HA PHE 61 -10.198 -1.429 0.953 474 HB2 PHE 61 1HB PHE 61 -9.474 -3.098 3.361 475 HB3 PHE 61 2HB PHE 61 -9.058 -3.572 1.717 476 HD1 PHE 61 1HD PHE 61 -8.202 -1.152 0.448 477 HD2 PHE 61 2HD PHE 61 -7.561 -2.450 4.450 478 HE1 PHE 61 1HE PHE 61 -6.167 0.226 0.565 479 HE2 PHE 61 2HE PHE 61 -5.525 -1.073 4.575 480 HZ PHE 61 HZ PHE 61 -4.826 0.268 2.631 481 H SER 62 H SER 62 -12.298 -2.892 3.345 482 HA SER 62 HA SER 62 -13.134 -5.076 1.711 483 HB2 SER 62 1HB SER 62 -13.285 -5.041 4.212 484 HB3 SER 62 2HB SER 62 -14.589 -3.862 4.071 485 HG SER 62 HG SER 62 -15.911 -5.377 3.353 486 H ARG 63 H ARG 63 -13.983 -1.755 1.906 487 HA ARG 63 HA ARG 63 -16.490 -2.182 0.453 488 HB2 ARG 63 1HB ARG 63 -15.311 0.330 1.655 489 HB3 ARG 63 2HB ARG 63 -16.866 0.236 0.838 490 HG2 ARG 63 1HG ARG 63 -17.764 -1.165 2.540 491 HG3 ARG 63 2HG ARG 63 -16.178 -1.368 3.287 492 HD2 ARG 63 1HD ARG 63 -16.149 1.091 3.714 493 HD3 ARG 63 2HD ARG 63 -17.811 1.161 3.129 494 HE ARG 63 HE ARG 63 -16.901 0.156 5.674 495 HH11 ARG 63 2HH1 ARG 63 -19.461 0.154 3.314 496 HH12 ARG 63 1HH1 ARG 63 -20.685 -0.304 4.451 497 HH21 ARG 63 1HH2 ARG 63 -20.141 -0.645 6.650 498 HH22 ARG 63 2HH2 ARG 63 -18.504 -0.448 7.180 499 H ALA 64 H ALA 64 -16.943 -0.753 -1.411 500 HA ALA 64 HA ALA 64 -14.930 -0.989 -3.376 501 HB1 ALA 64 3HB ALA 64 -16.932 -1.005 -4.419 502 HB2 ALA 64 1HB ALA 64 -17.672 0.089 -3.251 503 HB3 ALA 64 2HB ALA 64 -16.642 0.731 -4.531 504 HA PRO 65 HA PRO 65 -14.954 0.316 -5.509 505 HB2 PRO 65 2HB PRO 65 -13.927 1.960 -6.742 506 HB3 PRO 65 1HB PRO 65 -12.578 0.817 -6.723 507 HG2 PRO 65 1HG PRO 65 -11.493 1.929 -4.998 508 HG3 PRO 65 2HG PRO 65 -12.271 3.301 -5.810 509 HD2 PRO 65 1HD PRO 65 -12.635 2.765 -3.180 510 HD3 PRO 65 2HD PRO 65 -13.899 3.497 -4.190 511 H TYR 66 H TYR 66 -11.800 0.284 -3.851 512 HA TYR 66 HA TYR 66 -10.662 -1.999 -4.703 513 HB2 TYR 66 1HB TYR 66 -10.818 -1.610 -1.738 514 HB3 TYR 66 2HB TYR 66 -9.439 -2.068 -2.731 515 HD1 TYR 66 1HD TYR 66 -8.440 -0.270 -4.264 516 HD2 TYR 66 2HD TYR 66 -11.112 0.611 -1.072 517 HE1 TYR 66 1HE TYR 66 -7.662 2.063 -4.264 518 HE2 TYR 66 2HE TYR 66 -10.342 2.947 -1.065 519 HH TYR 66 HH TYR 66 -8.414 4.251 -1.756 520 H THR 67 H THR 67 -13.360 -1.802 -2.433 521 HA THR 67 HA THR 67 -14.594 -3.462 -1.409 522 HB THR 67 HB THR 67 -15.563 -3.140 -3.716 523 HG1 THR 67 1HG THR 67 -16.252 -4.742 -1.897 524 HG21 THR 67 3HG2 THR 67 -15.261 -4.926 -5.345 525 HG22 THR 67 1HG2 THR 67 -14.119 -5.735 -4.273 526 HG23 THR 67 2HG2 THR 67 -13.712 -4.169 -4.975 527 H ILE 68 H ILE 68 -11.696 -4.019 -1.490 528 HA ILE 68 HA ILE 68 -10.877 -6.500 -2.181 529 HB ILE 68 HB ILE 68 -10.358 -5.163 0.477 530 HG12 ILE 68 1HG1 ILE 68 -8.680 -5.204 -2.038 531 HG13 ILE 68 2HG1 ILE 68 -9.741 -3.876 -1.581 532 HG21 ILE 68 1HG2 ILE 68 -9.872 -7.612 0.435 533 HG22 ILE 68 2HG2 ILE 68 -8.723 -7.305 -0.867 534 HG23 ILE 68 3HG2 ILE 68 -8.460 -6.595 0.725 535 HD11 ILE 68 3HD1 ILE 68 -7.820 -4.694 0.478 536 HD12 ILE 68 1HD1 ILE 68 -7.114 -4.013 -0.987 537 HD13 ILE 68 2HD1 ILE 68 -8.296 -3.085 -0.064 538 H GLU 69 H GLU 69 -12.050 -8.313 -2.098 539 HA GLU 69 HA GLU 69 -13.577 -8.919 0.330 540 HB2 GLU 69 1HB GLU 69 -13.644 -10.345 -2.333 541 HB3 GLU 69 2HB GLU 69 -14.762 -10.561 -0.993 542 HG2 GLU 69 1HG GLU 69 -15.173 -7.992 -1.346 543 HG3 GLU 69 2HG GLU 69 -14.564 -8.344 -2.962 544 H ASN 70 H ASN 70 -10.787 -9.868 -1.458 545 HA ASN 70 HA ASN 70 -10.548 -12.485 -0.300 546 HB2 ASN 70 1HB ASN 70 -8.931 -10.787 -2.127 547 HB3 ASN 70 2HB ASN 70 -8.070 -12.025 -1.217 548 HD21 ASN 70 2HD2 ASN 70 -8.807 -14.200 -3.812 549 HD22 ASN 70 1HD2 ASN 70 -7.608 -13.344 -2.908 550 H SER 71 H SER 71 -10.526 -12.321 1.914 551 HA SER 71 HA SER 71 -9.484 -10.574 3.631 552 HB2 SER 71 1HB SER 71 -9.512 -13.561 3.686 553 HB3 SER 71 2HB SER 71 -8.646 -12.707 4.963 554 HG SER 71 HG SER 71 -10.764 -13.000 5.613 555 H SER 72 H SER 72 -7.492 -13.193 2.253 556 HA SER 72 HA SER 72 -5.059 -12.729 3.265 557 HB2 SER 72 1HB SER 72 -5.688 -13.200 0.343 558 HB3 SER 72 2HB SER 72 -4.081 -13.365 1.050 559 HG SER 72 HG SER 72 -4.693 -15.323 1.482 560 H HIS 73 H HIS 73 -6.400 -10.884 0.533 561 HA HIS 73 HA HIS 73 -4.279 -9.166 0.085 562 HB2 HIS 73 1HB HIS 73 -6.593 -9.435 -1.129 563 HB3 HIS 73 2HB HIS 73 -7.084 -8.123 -0.061 564 HD1 HIS 73 1HD HIS 73 -6.562 -5.822 -0.844 565 HD2 HIS 73 2HD HIS 73 -4.288 -8.694 -2.804 566 HE1 HIS 73 1HE HIS 73 -5.296 -4.577 -2.624 567 HE2 HIS 73 2HE HIS 73 -3.992 -6.348 -3.852 568 H ARG 74 H ARG 74 -7.056 -8.669 2.259 569 HA ARG 74 HA ARG 74 -6.234 -6.177 3.257 570 HB2 ARG 74 1HB ARG 74 -8.051 -8.326 4.314 571 HB3 ARG 74 2HB ARG 74 -7.707 -6.885 5.262 572 HG2 ARG 74 1HG ARG 74 -8.461 -5.569 3.207 573 HG3 ARG 74 2HG ARG 74 -9.127 -7.099 2.634 574 HD2 ARG 74 1HD ARG 74 -9.763 -6.013 5.360 575 HD3 ARG 74 2HD ARG 74 -10.680 -5.533 3.932 576 HE ARG 74 HE ARG 74 -10.611 -8.308 3.963 577 HH11 ARG 74 2HH1 ARG 74 -11.854 -5.724 5.938 578 HH12 ARG 74 1HH1 ARG 74 -13.179 -6.655 6.552 579 HH21 ARG 74 1HH2 ARG 74 -13.462 -8.828 5.884 580 HH22 ARG 74 2HH2 ARG 74 -12.353 -9.544 4.764 581 H ARG 75 H ARG 75 -5.796 -9.450 4.583 582 HA ARG 75 HA ARG 75 -4.428 -8.764 6.903 583 HB2 ARG 75 1HB ARG 75 -5.277 -11.030 6.400 584 HB3 ARG 75 2HB ARG 75 -4.016 -11.221 5.190 585 HG2 ARG 75 1HG ARG 75 -3.261 -10.568 7.999 586 HG3 ARG 75 2HG ARG 75 -3.721 -12.219 7.577 587 HD2 ARG 75 1HD ARG 75 -2.019 -11.802 5.597 588 HD3 ARG 75 2HD ARG 75 -1.361 -10.620 6.727 589 HE ARG 75 HE ARG 75 -1.652 -12.946 8.167 590 HH11 ARG 75 2HH1 ARG 75 0.074 -11.940 5.316 591 HH12 ARG 75 1HH1 ARG 75 1.371 -13.065 5.546 592 HH21 ARG 75 1HH2 ARG 75 1.357 -14.482 7.346 593 HH22 ARG 75 2HH2 ARG 75 0.051 -14.431 8.481 594 H VAL 76 H VAL 76 -3.218 -9.263 3.623 595 HA VAL 76 HA VAL 76 -0.464 -9.067 4.282 596 HB VAL 76 HB VAL 76 -1.798 -8.504 1.630 597 HG11 VAL 76 1HG1 VAL 76 0.785 -9.590 1.323 598 HG12 VAL 76 2HG1 VAL 76 0.231 -7.967 0.906 599 HG13 VAL 76 3HG1 VAL 76 0.915 -8.284 2.501 600 HG21 VAL 76 3HG2 VAL 76 -0.410 -11.061 2.080 601 HG22 VAL 76 1HG2 VAL 76 -1.923 -10.850 2.961 602 HG23 VAL 76 2HG2 VAL 76 -1.900 -10.716 1.203 603 H ILE 77 H ILE 77 -2.532 -6.744 2.528 604 HA ILE 77 HA ILE 77 -0.820 -4.597 2.498 605 HB ILE 77 HB ILE 77 -3.824 -4.632 2.737 606 HG12 ILE 77 1HG1 ILE 77 -2.035 -3.980 0.388 607 HG13 ILE 77 2HG1 ILE 77 -2.734 -5.569 0.679 608 HG21 ILE 77 1HG2 ILE 77 -3.080 -2.192 1.637 609 HG22 ILE 77 2HG2 ILE 77 -3.749 -2.468 3.245 610 HG23 ILE 77 3HG2 ILE 77 -2.001 -2.407 3.016 611 HD11 ILE 77 3HD1 ILE 77 -4.559 -3.232 0.573 612 HD12 ILE 77 1HD1 ILE 77 -3.868 -3.833 -0.934 613 HD13 ILE 77 2HD1 ILE 77 -4.828 -4.905 0.085 614 H LEU 78 H LEU 78 -3.413 -5.059 4.909 615 HA LEU 78 HA LEU 78 -2.783 -2.994 6.608 616 HB2 LEU 78 1HB LEU 78 -3.986 -5.693 7.065 617 HB3 LEU 78 2HB LEU 78 -3.675 -4.621 8.429 618 HG LEU 78 HG LEU 78 -5.334 -3.756 6.076 619 HD11 LEU 78 1HD1 LEU 78 -6.427 -4.937 8.616 620 HD12 LEU 78 2HD1 LEU 78 -6.215 -5.869 7.135 621 HD13 LEU 78 3HD1 LEU 78 -7.306 -4.483 7.156 622 HD21 LEU 78 3HD2 LEU 78 -4.805 -2.766 8.847 623 HD22 LEU 78 1HD2 LEU 78 -6.327 -2.378 8.043 624 HD23 LEU 78 2HD2 LEU 78 -4.797 -1.884 7.318 625 H THR 79 H THR 79 -1.801 -6.378 7.175 626 HA THR 79 HA THR 79 -0.084 -6.030 9.261 627 HB THR 79 HB THR 79 0.278 -7.909 6.920 628 HG1 THR 79 1HG THR 79 -0.834 -9.347 8.224 629 HG21 THR 79 3HG2 THR 79 1.798 -9.167 8.237 630 HG22 THR 79 1HG2 THR 79 1.464 -8.203 9.674 631 HG23 THR 79 2HG2 THR 79 2.348 -7.494 8.323 632 H GLU 80 H GLU 80 1.123 -6.299 5.913 633 HA GLU 80 HA GLU 80 3.697 -5.479 6.318 634 HB2 GLU 80 1HB GLU 80 1.877 -4.996 3.962 635 HB3 GLU 80 2HB GLU 80 3.585 -4.581 3.939 636 HG2 GLU 80 1HG GLU 80 2.777 -7.345 4.691 637 HG3 GLU 80 2HG GLU 80 2.747 -6.866 2.995 638 H LEU 81 H LEU 81 0.873 -3.412 5.762 639 HA LEU 81 HA LEU 81 2.230 -0.956 5.693 640 HB2 LEU 81 1HB LEU 81 -0.207 -1.522 5.094 641 HB3 LEU 81 2HB LEU 81 -0.534 -1.285 6.810 642 HG LEU 81 HG LEU 81 0.439 1.037 6.540 643 HD11 LEU 81 1HD1 LEU 81 0.177 1.843 4.105 644 HD12 LEU 81 2HD1 LEU 81 0.383 0.144 3.684 645 HD13 LEU 81 3HD1 LEU 81 1.653 0.994 4.564 646 HD21 LEU 81 3HD2 LEU 81 -2.125 0.029 5.457 647 HD22 LEU 81 1HD2 LEU 81 -1.696 1.698 5.084 648 HD23 LEU 81 2HD2 LEU 81 -1.814 1.173 6.763 649 H GLU 82 H GLU 82 1.136 -2.948 8.351 650 HA GLU 82 HA GLU 82 1.384 -0.989 10.388 651 HB2 GLU 82 1HB GLU 82 0.081 -3.099 10.613 652 HB3 GLU 82 2HB GLU 82 1.595 -3.993 10.648 653 HG2 GLU 82 1HG GLU 82 0.992 -3.794 12.883 654 HG3 GLU 82 2HG GLU 82 2.208 -2.539 12.651 655 H ARG 83 H ARG 83 3.675 -2.724 8.578 656 HA ARG 83 HA ARG 83 5.757 -2.481 10.612 657 HB2 ARG 83 1HB ARG 83 6.008 -3.601 7.818 658 HB3 ARG 83 2HB ARG 83 7.133 -3.806 9.154 659 HG2 ARG 83 1HG ARG 83 5.046 -4.890 10.323 660 HG3 ARG 83 2HG ARG 83 4.517 -5.124 8.656 661 HD2 ARG 83 1HD ARG 83 5.711 -7.083 9.410 662 HD3 ARG 83 2HD ARG 83 6.653 -6.257 8.169 663 HE ARG 83 HE ARG 83 7.365 -5.474 10.834 664 HH11 ARG 83 2HH1 ARG 83 7.866 -7.847 8.336 665 HH12 ARG 83 1HH1 ARG 83 9.433 -8.311 8.910 666 HH21 ARG 83 1HH2 ARG 83 10.320 -7.304 10.767 667 HH22 ARG 83 2HH2 ARG 83 9.428 -6.076 11.599 668 H VAL 84 H VAL 84 5.509 -1.706 7.135 669 HA VAL 84 HA VAL 84 7.657 -0.058 6.850 670 HB VAL 84 HB VAL 84 6.288 1.210 5.134 671 HG11 VAL 84 1HG1 VAL 84 6.497 -0.489 3.579 672 HG12 VAL 84 2HG1 VAL 84 7.595 -1.016 4.856 673 HG13 VAL 84 3HG1 VAL 84 5.990 -1.736 4.719 674 HG21 VAL 84 3HG2 VAL 84 4.147 0.348 6.585 675 HG22 VAL 84 1HG2 VAL 84 4.071 0.937 4.925 676 HG23 VAL 84 2HG2 VAL 84 4.154 -0.796 5.242 677 H ARG 85 H ARG 85 4.597 0.704 8.380 678 HA ARG 85 HA ARG 85 5.102 3.517 8.586 679 HB2 ARG 85 1HB ARG 85 3.103 3.608 9.916 680 HB3 ARG 85 2HB ARG 85 2.820 2.509 8.573 681 HG2 ARG 85 1HG ARG 85 3.141 0.600 10.027 682 HG3 ARG 85 2HG ARG 85 3.522 1.670 11.378 683 HD2 ARG 85 1HD ARG 85 1.287 1.134 11.731 684 HD3 ARG 85 2HD ARG 85 1.208 2.704 10.932 685 HE ARG 85 HE ARG 85 1.046 0.903 8.893 686 HH11 ARG 85 2HH1 ARG 85 -0.730 1.436 11.839 687 HH12 ARG 85 1HH1 ARG 85 -2.222 0.828 11.204 688 HH21 ARG 85 1HH2 ARG 85 -2.325 0.067 9.045 689 HH22 ARG 85 2HH2 ARG 85 -0.913 0.099 8.044 690 H SER 86 H SER 86 5.344 0.751 10.790 691 HA SER 86 HA SER 86 6.076 2.187 13.089 692 HB2 SER 86 1HB SER 86 5.352 -0.237 12.978 693 HB3 SER 86 2HB SER 86 6.979 -0.619 12.416 694 HG SER 86 HG SER 86 6.113 0.241 14.932 695 H GLY 87 H GLY 87 8.152 0.399 10.798 696 HA2 GLY 87 1HA GLY 87 10.437 0.505 10.471 697 HA3 GLY 87 2HA GLY 87 10.114 2.230 10.384 698 HA PRO 88 HA PRO 88 11.322 1.519 14.987 699 HB2 PRO 88 2HB PRO 88 10.265 -0.339 15.830 700 HB3 PRO 88 1HB PRO 88 11.896 -1.016 15.769 701 HG2 PRO 88 1HG PRO 88 11.496 -2.133 13.774 702 HG3 PRO 88 2HG PRO 88 9.879 -2.206 14.499 703 HD2 PRO 88 1HD PRO 88 10.329 -1.155 12.044 704 HD3 PRO 88 2HD PRO 88 9.048 -0.557 13.119 705 H SER 89 H SER 89 12.887 -1.004 13.007 706 HA SER 89 HA SER 89 15.469 0.305 13.539 707 HB2 SER 89 1HB SER 89 15.092 -1.859 14.848 708 HB3 SER 89 2HB SER 89 15.165 -2.688 13.293 709 HG SER 89 HG SER 89 17.228 -2.704 13.874 710 H SER 90 H SER 90 17.181 -0.508 11.948 711 HA SER 90 HA SER 90 16.175 -0.056 9.299 712 HB2 SER 90 1HB SER 90 18.299 0.925 9.902 713 HB3 SER 90 2HB SER 90 18.958 -0.655 10.327 714 HG SER 90 HG SER 90 18.982 0.541 7.965 715 H GLY 91 H GLY 91 18.076 -2.713 10.745 716 HA2 GLY 91 1HA GLY 91 17.149 -4.461 8.570 717 HA3 GLY 91 2HA GLY 91 18.529 -4.769 9.615 Start of MODEL 16 1 H1 GLY 1 H GLY 1 15.981 17.535 -5.919 2 HA2 GLY 1 1HA GLY 1 13.460 16.813 -7.094 3 HA3 GLY 1 2HA GLY 1 14.967 15.919 -7.225 4 H SER 2 H SER 2 12.955 16.843 -4.436 5 HA SER 2 HA SER 2 13.358 14.731 -2.811 6 HB2 SER 2 1HB SER 2 10.803 16.235 -3.362 7 HB3 SER 2 2HB SER 2 10.904 15.004 -2.104 8 HG SER 2 HG SER 2 12.932 16.417 -1.581 9 H SER 3 H SER 3 11.023 14.795 -5.486 10 HA SER 3 HA SER 3 10.193 12.087 -5.080 11 HB2 SER 3 1HB SER 3 9.685 14.181 -7.159 12 HB3 SER 3 2HB SER 3 9.269 12.504 -7.512 13 HG SER 3 HG SER 3 8.376 13.989 -5.261 14 H GLY 4 H GLY 4 10.884 10.245 -6.046 15 HA2 GLY 4 1HA GLY 4 13.349 10.463 -7.630 16 HA3 GLY 4 2HA GLY 4 12.823 9.039 -6.745 17 H SER 5 H SER 5 13.564 9.649 -9.649 18 HA SER 5 HA SER 5 11.117 9.001 -11.062 19 HB2 SER 5 1HB SER 5 13.961 9.461 -11.970 20 HB3 SER 5 2HB SER 5 12.672 8.978 -13.072 21 HG SER 5 HG SER 5 12.231 11.022 -13.167 22 H SER 6 H SER 6 14.297 7.480 -10.562 23 HA SER 6 HA SER 6 13.559 5.029 -11.806 24 HB2 SER 6 1HB SER 6 15.918 5.889 -11.524 25 HB3 SER 6 2HB SER 6 15.802 5.445 -9.821 26 HG SER 6 HG SER 6 16.557 3.621 -10.613 27 H GLY 7 H GLY 7 14.185 5.825 -8.380 28 HA2 GLY 7 1HA GLY 7 13.038 5.101 -6.496 29 HA3 GLY 7 2HA GLY 7 11.963 4.184 -7.541 30 H GLU 8 H GLU 8 13.499 3.532 -5.017 31 HA GLU 8 HA GLU 8 14.719 1.054 -6.032 32 HB2 GLU 8 1HB GLU 8 15.727 2.723 -3.721 33 HB3 GLU 8 2HB GLU 8 16.387 1.174 -4.228 34 HG2 GLU 8 1HG GLU 8 16.301 3.607 -5.991 35 HG3 GLU 8 2HG GLU 8 17.676 3.173 -4.977 36 H HIS 9 H HIS 9 15.043 -0.514 -4.064 37 HA HIS 9 HA HIS 9 12.509 -0.533 -2.560 38 HB2 HIS 9 1HB HIS 9 12.494 -2.910 -2.669 39 HB3 HIS 9 2HB HIS 9 12.865 -2.347 -4.296 40 HD1 HIS 9 1HD HIS 9 13.814 -4.926 -2.176 41 HD2 HIS 9 2HD HIS 9 15.983 -2.184 -4.420 42 HE1 HIS 9 1HE HIS 9 16.090 -5.954 -2.477 43 HE2 HIS 9 2HE HIS 9 17.411 -4.239 -3.765 44 H GLY 10 H GLY 10 12.792 -0.045 -0.489 45 HA2 GLY 10 1HA GLY 10 13.908 -1.302 1.507 46 HA3 GLY 10 2HA GLY 10 15.367 -0.644 0.782 47 H LEU 11 H LEU 11 14.535 1.874 0.042 48 HA LEU 11 HA LEU 11 14.732 3.277 2.484 49 HB2 LEU 11 1HB LEU 11 14.678 5.252 1.200 50 HB3 LEU 11 2HB LEU 11 15.520 4.049 0.226 51 HG LEU 11 HG LEU 11 14.119 5.294 -1.232 52 HD11 LEU 11 1HD1 LEU 11 12.698 3.583 -2.155 53 HD12 LEU 11 2HD1 LEU 11 12.704 2.702 -0.628 54 HD13 LEU 11 3HD1 LEU 11 14.189 2.845 -1.568 55 HD21 LEU 11 3HD2 LEU 11 12.051 6.064 -0.767 56 HD22 LEU 11 1HD2 LEU 11 12.555 5.799 0.903 57 HD23 LEU 11 2HD2 LEU 11 11.573 4.590 0.075 58 H LEU 12 H LEU 12 12.094 1.829 1.020 59 HA LEU 12 HA LEU 12 9.971 3.548 1.387 60 HB2 LEU 12 1HB LEU 12 10.179 0.569 1.708 61 HB3 LEU 12 2HB LEU 12 8.647 1.424 1.875 62 HG LEU 12 HG LEU 12 10.301 1.658 -0.619 63 HD11 LEU 12 1HD1 LEU 12 10.047 -0.624 -0.657 64 HD12 LEU 12 2HD1 LEU 12 8.556 -0.104 -1.444 65 HD13 LEU 12 3HD1 LEU 12 8.537 -0.582 0.254 66 HD21 LEU 12 3HD2 LEU 12 8.366 2.477 -1.600 67 HD22 LEU 12 1HD2 LEU 12 8.308 3.175 0.019 68 HD23 LEU 12 2HD2 LEU 12 7.320 1.766 -0.369 69 H VAL 13 H VAL 13 11.218 1.193 3.757 70 HA VAL 13 HA VAL 13 9.540 1.937 5.871 71 HB VAL 13 HB VAL 13 11.177 0.856 7.355 72 HG11 VAL 13 1HG1 VAL 13 9.718 -0.313 5.304 73 HG12 VAL 13 2HG1 VAL 13 11.300 -1.088 5.215 74 HG13 VAL 13 3HG1 VAL 13 10.383 -1.125 6.721 75 HG21 VAL 13 3HG2 VAL 13 12.912 1.086 4.934 76 HG22 VAL 13 1HG2 VAL 13 13.291 1.420 6.623 77 HG23 VAL 13 2HG2 VAL 13 13.156 -0.247 6.063 78 H HIS 14 H HIS 14 12.796 3.054 5.009 79 HA HIS 14 HA HIS 14 13.308 4.693 7.181 80 HB2 HIS 14 1HB HIS 14 14.089 5.080 4.285 81 HB3 HIS 14 2HB HIS 14 14.780 5.983 5.630 82 HD1 HIS 14 1HD HIS 14 16.736 4.950 6.784 83 HD2 HIS 14 2HD HIS 14 14.682 2.224 4.415 84 HE1 HIS 14 1HE HIS 14 18.132 2.858 6.802 85 HE2 HIS 14 2HE HIS 14 16.912 1.252 5.293 86 H LYS 15 H LYS 15 11.514 5.415 4.217 87 HA LYS 15 HA LYS 15 10.870 8.084 5.207 88 HB2 LYS 15 1HB LYS 15 11.506 7.912 2.870 89 HB3 LYS 15 2HB LYS 15 10.251 6.713 2.584 90 HG2 LYS 15 1HG LYS 15 8.654 8.601 3.413 91 HG3 LYS 15 2HG LYS 15 10.004 9.656 2.988 92 HD2 LYS 15 1HD LYS 15 10.014 8.655 0.721 93 HD3 LYS 15 2HD LYS 15 8.589 7.712 1.164 94 HE2 LYS 15 1HE LYS 15 7.228 9.595 1.277 95 HE3 LYS 15 2HE LYS 15 8.597 10.693 1.452 96 HZ1 LYS 15 3HZ LYS 15 7.629 10.857 -0.747 97 HZ2 LYS 15 1HZ LYS 15 7.869 9.203 -1.013 98 HZ3 LYS 15 2HZ LYS 15 9.199 10.235 -0.850 99 H ALA 16 H ALA 16 8.904 8.696 5.936 100 HA ALA 16 HA ALA 16 7.112 6.821 6.958 101 HB1 ALA 16 3HB ALA 16 5.599 9.108 6.678 102 HB2 ALA 16 1HB ALA 16 6.632 8.705 8.050 103 HB3 ALA 16 2HB ALA 16 7.253 9.717 6.745 104 H VAL 17 H VAL 17 5.093 6.092 6.310 105 HA VAL 17 HA VAL 17 4.735 5.733 3.509 106 HB VAL 17 HB VAL 17 2.850 5.119 5.789 107 HG11 VAL 17 1HG1 VAL 17 2.513 3.459 3.478 108 HG12 VAL 17 2HG1 VAL 17 1.332 4.482 4.298 109 HG13 VAL 17 3HG1 VAL 17 2.350 5.155 3.024 110 HG21 VAL 17 3HG2 VAL 17 3.942 3.183 6.113 111 HG22 VAL 17 1HG2 VAL 17 4.209 2.933 4.388 112 HG23 VAL 17 2HG2 VAL 17 5.282 3.992 5.303 113 H ASP 18 H ASP 18 3.329 7.866 5.911 114 HA ASP 18 HA ASP 18 1.166 8.791 4.325 115 HB2 ASP 18 1HB ASP 18 0.705 10.246 6.058 116 HB3 ASP 18 2HB ASP 18 1.639 9.015 6.904 117 H LYS 19 H LYS 19 4.390 9.104 3.818 118 HA LYS 19 HA LYS 19 4.103 11.735 2.524 119 HB2 LYS 19 1HB LYS 19 6.365 10.416 3.932 120 HB3 LYS 19 2HB LYS 19 6.760 11.417 2.541 121 HG2 LYS 19 1HG LYS 19 6.933 12.787 4.464 122 HG3 LYS 19 2HG LYS 19 5.461 13.268 3.617 123 HD2 LYS 19 1HD LYS 19 4.098 12.050 5.172 124 HD3 LYS 19 2HD LYS 19 5.522 11.346 5.940 125 HE2 LYS 19 1HE LYS 19 5.103 13.037 7.411 126 HE3 LYS 19 2HE LYS 19 6.149 13.894 6.279 127 HZ1 LYS 19 3HZ LYS 19 3.179 13.934 6.263 128 HZ2 LYS 19 1HZ LYS 19 4.179 14.751 5.169 129 HZ3 LYS 19 2HZ LYS 19 4.182 15.185 6.804 130 H TRP 20 H TRP 20 4.101 8.513 1.881 131 HA TRP 20 HA TRP 20 5.779 8.320 -0.387 132 HB2 TRP 20 1HB TRP 20 3.351 6.715 0.433 133 HB3 TRP 20 2HB TRP 20 4.395 6.297 -0.923 134 HD1 TRP 20 HD TRP 20 6.505 7.612 1.786 135 HE1 TRP 20 1HE TRP 20 7.613 5.693 3.096 136 HE3 TRP 20 3HE TRP 20 3.717 3.707 0.019 137 HZ2 TRP 20 2HZ TRP 20 7.341 2.895 3.347 138 HZ3 TRP 20 3HZ TRP 20 4.205 1.441 0.845 139 HH2 TRP 20 HH TRP 20 5.980 1.046 2.474 140 H THR 21 H THR 21 4.751 7.681 -2.589 141 HA THR 21 HA THR 21 2.611 9.597 -3.246 142 HB THR 21 HB THR 21 3.762 9.894 -5.479 143 HG1 THR 21 1HG THR 21 6.101 9.456 -5.322 144 HG21 THR 21 3HG2 THR 21 3.838 11.580 -3.663 145 HG22 THR 21 1HG2 THR 21 5.288 11.588 -4.666 146 HG23 THR 21 2HG2 THR 21 5.323 10.836 -3.071 147 H THR 22 H THR 22 1.415 9.086 -5.211 148 HA THR 22 HA THR 22 0.252 6.657 -5.305 149 HB THR 22 HB THR 22 0.811 8.000 -7.928 150 HG1 THR 22 1HG THR 22 -0.118 9.780 -7.270 151 HG21 THR 22 3HG2 THR 22 -0.702 5.910 -7.471 152 HG22 THR 22 1HG2 THR 22 -1.248 7.176 -8.570 153 HG23 THR 22 2HG2 THR 22 -1.859 7.120 -6.917 154 H GLU 23 H GLU 23 3.411 7.431 -6.490 155 HA GLU 23 HA GLU 23 3.685 5.068 -8.109 156 HB2 GLU 23 1HB GLU 23 4.938 7.384 -8.252 157 HB3 GLU 23 2HB GLU 23 6.039 6.618 -7.116 158 HG2 GLU 23 1HG GLU 23 6.442 4.815 -8.690 159 HG3 GLU 23 2HG GLU 23 5.301 5.534 -9.825 160 H GLU 24 H GLU 24 5.284 6.171 -5.114 161 HA GLU 24 HA GLU 24 6.541 3.742 -4.528 162 HB2 GLU 24 1HB GLU 24 5.682 6.032 -2.764 163 HB3 GLU 24 2HB GLU 24 6.577 4.649 -2.149 164 HG2 GLU 24 1HG GLU 24 7.466 6.803 -4.007 165 HG3 GLU 24 2HG GLU 24 8.243 6.184 -2.551 166 H VAL 25 H VAL 25 3.379 5.001 -3.565 167 HA VAL 25 HA VAL 25 2.599 3.126 -1.710 168 HB VAL 25 HB VAL 25 0.890 4.407 -3.846 169 HG11 VAL 25 1HG1 VAL 25 -0.407 3.693 -1.342 170 HG12 VAL 25 2HG1 VAL 25 -0.924 3.412 -3.006 171 HG13 VAL 25 3HG1 VAL 25 0.193 2.290 -2.226 172 HG21 VAL 25 3HG2 VAL 25 1.217 6.278 -2.690 173 HG22 VAL 25 1HG2 VAL 25 0.394 5.523 -1.325 174 HG23 VAL 25 2HG2 VAL 25 2.148 5.416 -1.466 175 H VAL 26 H VAL 26 2.144 2.935 -5.239 176 HA VAL 26 HA VAL 26 1.036 0.322 -5.194 177 HB VAL 26 HB VAL 26 2.360 1.805 -7.470 178 HG11 VAL 26 1HG1 VAL 26 2.359 -0.401 -8.181 179 HG12 VAL 26 2HG1 VAL 26 0.857 -0.779 -7.336 180 HG13 VAL 26 3HG1 VAL 26 0.823 0.203 -8.801 181 HG21 VAL 26 3HG2 VAL 26 -0.562 1.462 -7.390 182 HG22 VAL 26 1HG2 VAL 26 0.110 2.543 -6.169 183 HG23 VAL 26 2HG2 VAL 26 0.406 2.853 -7.880 184 H LEU 27 H LEU 27 4.299 1.574 -5.453 185 HA LEU 27 HA LEU 27 5.584 -0.752 -6.357 186 HB2 LEU 27 1HB LEU 27 6.408 1.725 -4.951 187 HB3 LEU 27 2HB LEU 27 7.523 0.361 -4.906 188 HG LEU 27 HG LEU 27 6.482 1.723 -7.390 189 HD11 LEU 27 1HD1 LEU 27 9.184 1.974 -7.406 190 HD12 LEU 27 2HD1 LEU 27 8.834 2.121 -5.685 191 HD13 LEU 27 3HD1 LEU 27 8.064 3.212 -6.837 192 HD21 LEU 27 3HD2 LEU 27 8.338 -0.614 -6.994 193 HD22 LEU 27 1HD2 LEU 27 8.243 0.308 -8.495 194 HD23 LEU 27 2HD2 LEU 27 6.829 -0.568 -7.908 195 H TRP 28 H TRP 28 5.219 0.492 -3.035 196 HA TRP 28 HA TRP 28 6.428 -1.633 -1.709 197 HB2 TRP 28 1HB TRP 28 6.010 0.246 -0.385 198 HB3 TRP 28 2HB TRP 28 4.334 0.365 -0.912 199 HD1 TRP 28 HD TRP 28 6.572 -1.670 1.468 200 HE1 TRP 28 1HE TRP 28 5.076 -2.739 3.269 201 HE3 TRP 28 3HE TRP 28 1.995 -0.364 -0.398 202 HZ2 TRP 28 2HZ TRP 28 2.320 -2.995 3.825 203 HZ3 TRP 28 3HZ TRP 28 -0.021 -1.060 0.828 204 HH2 TRP 28 HH TRP 28 0.140 -2.349 2.896 205 H LEU 29 H LEU 29 3.081 -1.231 -2.770 206 HA LEU 29 HA LEU 29 2.174 -3.667 -1.573 207 HB2 LEU 29 1HB LEU 29 0.535 -2.016 -1.886 208 HB3 LEU 29 2HB LEU 29 1.007 -1.749 -3.563 209 HG LEU 29 HG LEU 29 0.168 -4.184 -3.917 210 HD11 LEU 29 1HD1 LEU 29 -1.480 -3.461 -1.508 211 HD12 LEU 29 2HD1 LEU 29 -0.087 -4.540 -1.433 212 HD13 LEU 29 3HD1 LEU 29 -1.483 -4.970 -2.421 213 HD21 LEU 29 3HD2 LEU 29 -1.652 -3.261 -4.865 214 HD22 LEU 29 1HD2 LEU 29 -0.890 -1.741 -4.396 215 HD23 LEU 29 2HD2 LEU 29 -2.145 -2.449 -3.378 216 H GLU 30 H GLU 30 3.649 -2.788 -4.580 217 HA GLU 30 HA GLU 30 2.858 -5.174 -5.981 218 HB2 GLU 30 1HB GLU 30 4.611 -2.832 -6.562 219 HB3 GLU 30 2HB GLU 30 4.848 -4.299 -7.502 220 HG2 GLU 30 1HG GLU 30 2.363 -4.215 -7.990 221 HG3 GLU 30 2HG GLU 30 2.395 -2.582 -7.327 222 H GLN 31 H GLN 31 4.686 -4.928 -3.397 223 HA GLN 31 HA GLN 31 6.749 -6.806 -4.337 224 HB2 GLN 31 1HB GLN 31 6.721 -4.788 -2.115 225 HB3 GLN 31 2HB GLN 31 7.823 -6.157 -2.062 226 HG2 GLN 31 1HG GLN 31 8.851 -5.471 -4.127 227 HG3 GLN 31 2HG GLN 31 7.678 -4.169 -4.315 228 HE21 GLN 31 2HE2 GLN 31 9.218 -2.007 -2.021 229 HE22 GLN 31 1HE2 GLN 31 7.750 -2.409 -2.836 230 H LEU 32 H LEU 32 4.153 -6.289 -2.075 231 HA LEU 32 HA LEU 32 4.634 -8.390 -0.291 232 HB2 LEU 32 1HB LEU 32 1.863 -7.636 -1.125 233 HB3 LEU 32 2HB LEU 32 2.461 -8.088 0.470 234 HG LEU 32 HG LEU 32 2.819 -5.454 -0.948 235 HD11 LEU 32 1HD1 LEU 32 1.688 -4.617 1.110 236 HD12 LEU 32 2HD1 LEU 32 1.397 -6.294 1.570 237 HD13 LEU 32 3HD1 LEU 32 0.679 -5.648 0.095 238 HD21 LEU 32 3HD2 LEU 32 4.581 -6.712 0.889 239 HD22 LEU 32 1HD2 LEU 32 3.778 -5.380 1.720 240 HD23 LEU 32 2HD2 LEU 32 4.662 -5.079 0.224 241 H GLY 33 H GLY 33 3.450 -8.389 -3.547 242 HA2 GLY 33 1HA GLY 33 3.825 -11.112 -3.960 243 HA3 GLY 33 2HA GLY 33 2.138 -10.904 -3.514 244 HA PRO 34 HA PRO 34 2.971 -10.058 -8.124 245 HB2 PRO 34 2HB PRO 34 3.637 -12.177 -8.713 246 HB3 PRO 34 1HB PRO 34 1.930 -12.352 -9.137 247 HG2 PRO 34 1HG PRO 34 1.420 -13.449 -7.156 248 HG3 PRO 34 2HG PRO 34 3.081 -14.016 -7.404 249 HD2 PRO 34 1HD PRO 34 2.291 -12.775 -5.131 250 HD3 PRO 34 2HD PRO 34 3.935 -12.619 -5.782 251 H TRP 35 H TRP 35 0.349 -11.244 -6.172 252 HA TRP 35 HA TRP 35 -1.742 -10.753 -8.042 253 HB2 TRP 35 1HB TRP 35 -3.195 -10.841 -5.949 254 HB3 TRP 35 2HB TRP 35 -2.235 -12.276 -6.297 255 HD1 TRP 35 HD TRP 35 -0.844 -13.175 -4.342 256 HE1 TRP 35 1HE TRP 35 -0.075 -12.265 -2.060 257 HE3 TRP 35 3HE TRP 35 -2.506 -8.361 -4.787 258 HZ2 TRP 35 2HZ TRP 35 -0.163 -9.829 -0.637 259 HZ3 TRP 35 3HZ TRP 35 -2.124 -6.804 -2.920 260 HH2 TRP 35 HH TRP 35 -0.977 -7.525 -0.889 261 H ALA 36 H ALA 36 0.201 -8.712 -6.167 262 HA ALA 36 HA ALA 36 -1.502 -6.641 -5.441 263 HB1 ALA 36 3HB ALA 36 1.384 -6.566 -6.299 264 HB2 ALA 36 1HB ALA 36 0.525 -5.187 -5.612 265 HB3 ALA 36 2HB ALA 36 0.750 -6.652 -4.656 266 H SER 37 H SER 37 -0.292 -7.549 -8.567 267 HA SER 37 HA SER 37 -0.752 -5.085 -9.895 268 HB2 SER 37 1HB SER 37 0.719 -6.824 -10.824 269 HB3 SER 37 2HB SER 37 -0.669 -7.892 -11.030 270 HG SER 37 HG SER 37 -1.534 -6.368 -12.490 271 H LEU 38 H LEU 38 -2.874 -7.309 -8.574 272 HA LEU 38 HA LEU 38 -4.990 -7.035 -10.511 273 HB2 LEU 38 1HB LEU 38 -5.077 -8.103 -7.694 274 HB3 LEU 38 2HB LEU 38 -6.337 -8.282 -8.913 275 HG LEU 38 HG LEU 38 -3.572 -9.428 -9.236 276 HD11 LEU 38 1HD1 LEU 38 -5.763 -11.263 -8.603 277 HD12 LEU 38 2HD1 LEU 38 -5.284 -10.211 -7.271 278 HD13 LEU 38 3HD1 LEU 38 -4.090 -11.252 -8.045 279 HD21 LEU 38 3HD2 LEU 38 -4.420 -9.558 -11.326 280 HD22 LEU 38 1HD2 LEU 38 -6.092 -9.454 -10.774 281 HD23 LEU 38 2HD2 LEU 38 -5.223 -10.985 -10.668 282 H TYR 39 H TYR 39 -3.893 -5.342 -7.716 283 HA TYR 39 HA TYR 39 -6.361 -3.734 -7.700 284 HB2 TYR 39 1HB TYR 39 -4.316 -3.985 -5.486 285 HB3 TYR 39 2HB TYR 39 -5.857 -3.138 -5.405 286 HD1 TYR 39 1HD TYR 39 -4.239 -6.436 -5.480 287 HD2 TYR 39 2HD TYR 39 -7.922 -4.341 -5.095 288 HE1 TYR 39 1HE TYR 39 -5.319 -8.495 -4.676 289 HE2 TYR 39 2HE TYR 39 -9.012 -6.393 -4.289 290 HH TYR 39 HH TYR 39 -8.595 -8.488 -3.440 291 H ARG 40 H ARG 40 -2.845 -3.640 -7.742 292 HA ARG 40 HA ARG 40 -2.115 -1.104 -7.401 293 HB2 ARG 40 1HB ARG 40 -0.317 -1.438 -8.840 294 HB3 ARG 40 2HB ARG 40 -0.787 -3.080 -8.421 295 HG2 ARG 40 1HG ARG 40 -1.954 -3.324 -10.521 296 HG3 ARG 40 2HG ARG 40 -1.611 -1.643 -10.935 297 HD2 ARG 40 1HD ARG 40 0.660 -3.457 -10.282 298 HD3 ARG 40 2HD ARG 40 -0.121 -3.608 -11.856 299 HE ARG 40 HE ARG 40 0.575 -0.906 -11.219 300 HH11 ARG 40 2HH1 ARG 40 1.785 -3.920 -12.471 301 HH12 ARG 40 1HH1 ARG 40 3.051 -3.179 -13.393 302 HH21 ARG 40 1HH2 ARG 40 3.308 -0.903 -13.367 303 HH22 ARG 40 2HH2 ARG 40 2.238 0.082 -12.428 304 H ASP 41 H ASP 41 -3.780 -2.268 -10.309 305 HA ASP 41 HA ASP 41 -3.773 0.012 -11.847 306 HB2 ASP 41 1HB ASP 41 -5.919 -2.083 -11.501 307 HB3 ASP 41 2HB ASP 41 -6.008 -0.815 -12.720 308 H ARG 42 H ARG 42 -6.107 -0.863 -9.312 309 HA ARG 42 HA ARG 42 -7.694 1.455 -9.552 310 HB2 ARG 42 1HB ARG 42 -7.356 0.001 -6.950 311 HB3 ARG 42 2HB ARG 42 -8.803 0.735 -7.629 312 HG2 ARG 42 1HG ARG 42 -8.445 -1.120 -9.476 313 HG3 ARG 42 2HG ARG 42 -7.594 -1.921 -8.153 314 HD2 ARG 42 1HD ARG 42 -9.743 -2.702 -7.864 315 HD3 ARG 42 2HD ARG 42 -9.722 -1.310 -6.782 316 HE ARG 42 HE ARG 42 -11.120 -1.514 -9.340 317 HH11 ARG 42 2HH1 ARG 42 -10.270 0.364 -6.535 318 HH12 ARG 42 1HH1 ARG 42 -11.512 1.545 -6.788 319 HH21 ARG 42 1HH2 ARG 42 -12.929 1.355 -8.579 320 HH22 ARG 42 2HH2 ARG 42 -12.759 0.033 -9.684 321 H PHE 43 H PHE 43 -4.848 0.707 -7.614 322 HA PHE 43 HA PHE 43 -4.864 2.925 -5.923 323 HB2 PHE 43 1HB PHE 43 -2.629 1.234 -7.026 324 HB3 PHE 43 2HB PHE 43 -2.317 2.570 -5.923 325 HD1 PHE 43 2HD PHE 43 -3.993 -0.694 -6.269 326 HD2 PHE 43 1HD PHE 43 -2.723 2.371 -3.604 327 HE1 PHE 43 2HE PHE 43 -4.455 -2.171 -4.357 328 HE2 PHE 43 1HE PHE 43 -3.182 0.899 -1.686 329 HZ PHE 43 HZ PHE 43 -4.050 -1.375 -2.061 330 H LEU 44 H LEU 44 -3.518 2.537 -9.172 331 HA LEU 44 HA LEU 44 -2.383 5.151 -9.280 332 HB2 LEU 44 1HB LEU 44 -3.014 3.088 -11.373 333 HB3 LEU 44 2HB LEU 44 -2.314 4.656 -11.773 334 HG LEU 44 HG LEU 44 -0.503 3.171 -11.723 335 HD11 LEU 44 1HD1 LEU 44 -0.205 5.287 -10.427 336 HD12 LEU 44 2HD1 LEU 44 0.878 3.977 -9.958 337 HD13 LEU 44 3HD1 LEU 44 -0.523 4.363 -8.958 338 HD21 LEU 44 3HD2 LEU 44 -0.077 1.586 -9.928 339 HD22 LEU 44 1HD2 LEU 44 -1.664 1.301 -10.643 340 HD23 LEU 44 2HD2 LEU 44 -1.534 2.122 -9.088 341 H SER 45 H SER 45 -5.215 3.715 -10.908 342 HA SER 45 HA SER 45 -6.189 6.000 -12.119 343 HB2 SER 45 1HB SER 45 -7.012 3.499 -12.178 344 HB3 SER 45 2HB SER 45 -8.123 4.049 -10.924 345 HG SER 45 HG SER 45 -8.175 4.505 -13.602 346 H GLU 46 H GLU 46 -6.880 4.773 -8.860 347 HA GLU 46 HA GLU 46 -8.530 7.057 -8.224 348 HB2 GLU 46 1HB GLU 46 -7.569 4.687 -6.629 349 HB3 GLU 46 2HB GLU 46 -8.486 5.999 -5.902 350 HG2 GLU 46 1HG GLU 46 -9.391 4.151 -8.095 351 HG3 GLU 46 2HG GLU 46 -9.974 4.203 -6.433 352 H ARG 47 H ARG 47 -5.405 6.946 -8.714 353 HA ARG 47 HA ARG 47 -3.520 7.937 -7.866 354 HB2 ARG 47 1HB ARG 47 -5.706 9.951 -7.384 355 HB3 ARG 47 2HB ARG 47 -4.022 10.314 -7.030 356 HG2 ARG 47 1HG ARG 47 -4.889 9.346 -9.731 357 HG3 ARG 47 2HG ARG 47 -4.950 11.052 -9.285 358 HD2 ARG 47 1HD ARG 47 -2.434 9.514 -8.839 359 HD3 ARG 47 2HD ARG 47 -2.837 10.049 -10.470 360 HE ARG 47 HE ARG 47 -2.970 12.109 -8.452 361 HH11 ARG 47 2HH1 ARG 47 -0.989 10.475 -10.802 362 HH12 ARG 47 1HH1 ARG 47 0.132 11.787 -10.963 363 HH21 ARG 47 1HH2 ARG 47 -0.161 13.702 -9.740 364 HH22 ARG 47 2HH2 ARG 47 -1.502 13.843 -8.654 365 H VAL 48 H VAL 48 -4.725 6.095 -6.043 366 HA VAL 48 HA VAL 48 -4.967 7.108 -3.432 367 HB VAL 48 HB VAL 48 -4.118 4.350 -4.327 368 HG11 VAL 48 1HG1 VAL 48 -5.465 4.459 -1.788 369 HG12 VAL 48 2HG1 VAL 48 -3.896 3.762 -2.195 370 HG13 VAL 48 3HG1 VAL 48 -4.020 5.468 -1.764 371 HG21 VAL 48 3HG2 VAL 48 -6.835 5.191 -3.359 372 HG22 VAL 48 1HG2 VAL 48 -6.382 5.270 -5.062 373 HG23 VAL 48 2HG2 VAL 48 -6.378 3.721 -4.218 374 H ASN 49 H ASN 49 -3.391 8.360 -2.609 375 HA ASN 49 HA ASN 49 -0.596 7.635 -2.973 376 HB2 ASN 49 1HB ASN 49 -0.089 9.781 -1.957 377 HB3 ASN 49 2HB ASN 49 -1.319 10.000 -3.199 378 HD21 ASN 49 2HD2 ASN 49 -1.993 11.192 0.533 379 HD22 ASN 49 1HD2 ASN 49 -0.456 10.684 -0.070 380 H GLY 50 H GLY 50 0.811 8.005 -0.916 381 HA2 GLY 50 1HA GLY 50 0.449 5.930 0.841 382 HA3 GLY 50 2HA GLY 50 1.390 7.366 1.218 383 H ARG 51 H ARG 51 -0.146 9.336 1.725 384 HA ARG 51 HA ARG 51 -1.204 9.109 4.175 385 HB2 ARG 51 1HB ARG 51 -1.138 11.115 2.379 386 HB3 ARG 51 2HB ARG 51 -2.861 10.763 2.358 387 HG2 ARG 51 1HG ARG 51 -1.223 11.472 4.783 388 HG3 ARG 51 2HG ARG 51 -2.361 12.526 3.941 389 HD2 ARG 51 1HD ARG 51 -3.344 9.894 4.906 390 HD3 ARG 51 2HD ARG 51 -3.047 11.154 6.103 391 HE ARG 51 HE ARG 51 -5.187 11.049 4.205 392 HH11 ARG 51 2HH1 ARG 51 -3.165 13.174 6.080 393 HH12 ARG 51 1HH1 ARG 51 -4.319 14.466 6.102 394 HH21 ARG 51 1HH2 ARG 51 -6.339 14.219 5.048 395 HH22 ARG 51 2HH2 ARG 51 -6.715 12.743 4.227 396 H LEU 52 H LEU 52 -3.251 8.885 1.258 397 HA LEU 52 HA LEU 52 -5.595 8.107 2.530 398 HB2 LEU 52 1HB LEU 52 -5.594 8.816 0.236 399 HB3 LEU 52 2HB LEU 52 -4.574 7.456 -0.228 400 HG LEU 52 HG LEU 52 -6.459 5.932 0.382 401 HD11 LEU 52 1HD1 LEU 52 -8.304 8.263 0.267 402 HD12 LEU 52 2HD1 LEU 52 -7.506 7.889 1.794 403 HD13 LEU 52 3HD1 LEU 52 -8.524 6.680 1.012 404 HD21 LEU 52 3HD2 LEU 52 -6.826 8.001 -1.772 405 HD22 LEU 52 1HD2 LEU 52 -7.857 6.578 -1.616 406 HD23 LEU 52 2HD2 LEU 52 -6.129 6.386 -1.917 407 H LEU 53 H LEU 53 -2.941 6.126 1.281 408 HA LEU 53 HA LEU 53 -4.074 3.609 1.655 409 HB2 LEU 53 1HB LEU 53 -1.975 4.048 0.443 410 HB3 LEU 53 2HB LEU 53 -1.181 4.394 1.978 411 HG LEU 53 HG LEU 53 -1.671 2.030 2.660 412 HD11 LEU 53 1HD1 LEU 53 -1.955 0.587 0.454 413 HD12 LEU 53 2HD1 LEU 53 -2.832 2.025 -0.068 414 HD13 LEU 53 3HD1 LEU 53 -3.339 1.162 1.384 415 HD21 LEU 53 3HD2 LEU 53 0.535 2.570 1.954 416 HD22 LEU 53 1HD2 LEU 53 0.058 2.576 0.256 417 HD23 LEU 53 2HD2 LEU 53 0.090 1.060 1.157 418 H LEU 54 H LEU 54 -2.590 5.802 3.939 419 HA LEU 54 HA LEU 54 -2.400 3.884 6.061 420 HB2 LEU 54 1HB LEU 54 -2.088 6.853 5.857 421 HB3 LEU 54 2HB LEU 54 -2.161 6.072 7.435 422 HG LEU 54 HG LEU 54 -0.115 5.483 5.296 423 HD11 LEU 54 1HD1 LEU 54 1.362 6.877 6.348 424 HD12 LEU 54 2HD1 LEU 54 0.525 6.781 7.897 425 HD13 LEU 54 3HD1 LEU 54 -0.142 7.765 6.594 426 HD21 LEU 54 3HD2 LEU 54 0.864 4.587 7.684 427 HD22 LEU 54 1HD2 LEU 54 0.096 3.580 6.457 428 HD23 LEU 54 2HD2 LEU 54 -0.850 4.190 7.815 429 H THR 55 H THR 55 -4.622 6.528 5.251 430 HA THR 55 HA THR 55 -6.263 6.360 7.509 431 HB THR 55 HB THR 55 -7.973 7.506 6.192 432 HG1 THR 55 1HG THR 55 -7.513 7.883 3.934 433 HG21 THR 55 3HG2 THR 55 -5.164 8.362 6.246 434 HG22 THR 55 1HG2 THR 55 -6.616 9.206 6.781 435 HG23 THR 55 2HG2 THR 55 -6.170 9.214 5.075 436 H LEU 56 H LEU 56 -6.533 4.745 4.357 437 HA LEU 56 HA LEU 56 -8.932 3.470 4.586 438 HB2 LEU 56 1HB LEU 56 -6.349 2.380 3.484 439 HB3 LEU 56 2HB LEU 56 -7.921 1.622 3.243 440 HG LEU 56 HG LEU 56 -7.358 4.437 2.352 441 HD11 LEU 56 1HD1 LEU 56 -6.133 2.098 1.344 442 HD12 LEU 56 2HD1 LEU 56 -6.086 3.732 0.683 443 HD13 LEU 56 3HD1 LEU 56 -7.347 2.610 0.171 444 HD21 LEU 56 3HD2 LEU 56 -9.226 2.633 0.950 445 HD22 LEU 56 1HD2 LEU 56 -9.369 4.349 1.328 446 HD23 LEU 56 2HD2 LEU 56 -9.701 3.143 2.571 447 H THR 57 H THR 57 -9.806 1.941 5.832 448 HA THR 57 HA THR 57 -8.056 0.583 7.768 449 HB THR 57 HB THR 57 -10.053 0.252 9.148 450 HG1 THR 57 1HG THR 57 -11.303 1.293 6.867 451 HG21 THR 57 3HG2 THR 57 -9.546 3.077 8.228 452 HG22 THR 57 1HG2 THR 57 -8.838 2.249 9.613 453 HG23 THR 57 2HG2 THR 57 -10.549 2.678 9.622 454 H GLU 58 H GLU 58 -9.047 -1.589 8.524 455 HA GLU 58 HA GLU 58 -8.902 -3.412 6.425 456 HB2 GLU 58 1HB GLU 58 -8.569 -3.858 8.900 457 HB3 GLU 58 2HB GLU 58 -10.320 -3.926 9.037 458 HG2 GLU 58 1HG GLU 58 -10.474 -5.914 7.930 459 HG3 GLU 58 2HG GLU 58 -9.004 -5.636 6.998 460 H GLU 59 H GLU 59 -11.470 -1.408 7.325 461 HA GLU 59 HA GLU 59 -13.510 -3.150 6.166 462 HB2 GLU 59 1HB GLU 59 -14.538 -2.197 7.957 463 HB3 GLU 59 2HB GLU 59 -13.514 -0.769 7.920 464 HG2 GLU 59 1HG GLU 59 -15.745 -0.099 7.440 465 HG3 GLU 59 2HG GLU 59 -14.801 0.037 5.958 466 H GLU 60 H GLU 60 -12.457 0.240 5.789 467 HA GLU 60 HA GLU 60 -13.828 0.927 3.533 468 HB2 GLU 60 1HB GLU 60 -11.031 1.658 4.384 469 HB3 GLU 60 2HB GLU 60 -11.800 2.376 2.975 470 HG2 GLU 60 1HG GLU 60 -12.977 2.470 5.739 471 HG3 GLU 60 2HG GLU 60 -11.935 3.726 5.073 472 H PHE 61 H PHE 61 -10.836 -0.939 3.717 473 HA PHE 61 HA PHE 61 -10.259 -1.060 0.983 474 HB2 PHE 61 1HB PHE 61 -9.591 -2.790 3.335 475 HB3 PHE 61 2HB PHE 61 -9.186 -3.343 1.713 476 HD1 PHE 61 1HD PHE 61 -8.253 -1.068 0.307 477 HD2 PHE 61 2HD PHE 61 -7.714 -2.045 4.415 478 HE1 PHE 61 1HE PHE 61 -6.200 0.287 0.357 479 HE2 PHE 61 2HE PHE 61 -5.661 -0.690 4.471 480 HZ PHE 61 HZ PHE 61 -4.902 0.478 2.441 481 H SER 62 H SER 62 -12.466 -2.925 2.968 482 HA SER 62 HA SER 62 -13.068 -4.769 0.808 483 HB2 SER 62 1HB SER 62 -13.056 -5.749 2.987 484 HB3 SER 62 2HB SER 62 -14.112 -4.491 3.630 485 HG SER 62 HG SER 62 -15.792 -5.513 2.866 486 H ARG 63 H ARG 63 -13.864 -1.680 1.354 487 HA ARG 63 HA ARG 63 -16.639 -1.984 0.421 488 HB2 ARG 63 1HB ARG 63 -15.312 0.413 1.699 489 HB3 ARG 63 2HB ARG 63 -16.996 0.315 1.204 490 HG2 ARG 63 1HG ARG 63 -15.706 -1.407 3.310 491 HG3 ARG 63 2HG ARG 63 -16.700 0.017 3.621 492 HD2 ARG 63 1HD ARG 63 -17.588 -2.498 2.212 493 HD3 ARG 63 2HD ARG 63 -17.994 -2.039 3.865 494 HE ARG 63 HE ARG 63 -18.756 -0.116 1.850 495 HH11 ARG 63 2HH1 ARG 63 -19.705 -2.902 3.709 496 HH12 ARG 63 1HH1 ARG 63 -21.403 -2.610 3.524 497 HH21 ARG 63 1HH2 ARG 63 -22.131 -0.800 2.323 498 HH22 ARG 63 2HH2 ARG 63 -20.988 0.280 1.599 499 H ALA 64 H ALA 64 -17.359 -0.838 -1.374 500 HA ALA 64 HA ALA 64 -15.654 -0.589 -3.534 501 HB1 ALA 64 3HB ALA 64 -18.313 0.721 -3.011 502 HB2 ALA 64 1HB ALA 64 -17.478 0.795 -4.563 503 HB3 ALA 64 2HB ALA 64 -17.995 -0.761 -3.912 504 HA PRO 65 HA PRO 65 -15.728 0.733 -5.503 505 HB2 PRO 65 2HB PRO 65 -14.809 2.463 -6.705 506 HB3 PRO 65 1HB PRO 65 -13.405 1.390 -6.744 507 HG2 PRO 65 1HG PRO 65 -12.344 2.506 -5.007 508 HG3 PRO 65 2HG PRO 65 -13.206 3.859 -5.763 509 HD2 PRO 65 1HD PRO 65 -13.492 3.230 -3.144 510 HD3 PRO 65 2HD PRO 65 -14.810 3.925 -4.109 511 H TYR 66 H TYR 66 -12.526 0.822 -3.938 512 HA TYR 66 HA TYR 66 -11.262 -1.343 -4.850 513 HB2 TYR 66 1HB TYR 66 -11.532 -1.033 -1.869 514 HB3 TYR 66 2HB TYR 66 -10.124 -1.537 -2.797 515 HD1 TYR 66 1HD TYR 66 -8.924 0.185 -4.203 516 HD2 TYR 66 2HD TYR 66 -11.887 1.235 -1.336 517 HE1 TYR 66 1HE TYR 66 -8.084 2.497 -4.191 518 HE2 TYR 66 2HE TYR 66 -11.056 3.550 -1.317 519 HH TYR 66 HH TYR 66 -8.522 4.600 -1.956 520 H THR 67 H THR 67 -13.937 -1.469 -2.528 521 HA THR 67 HA THR 67 -14.989 -3.312 -1.588 522 HB THR 67 HB THR 67 -16.208 -2.713 -3.694 523 HG1 THR 67 1HG THR 67 -16.659 -4.607 -2.125 524 HG21 THR 67 3HG2 THR 67 -15.938 -3.962 -5.678 525 HG22 THR 67 1HG2 THR 67 -14.913 -5.156 -4.883 526 HG23 THR 67 2HG2 THR 67 -14.304 -3.528 -5.180 527 H ILE 68 H ILE 68 -12.191 -3.799 -1.721 528 HA ILE 68 HA ILE 68 -11.289 -6.076 -2.916 529 HB ILE 68 HB ILE 68 -10.746 -5.255 -0.060 530 HG12 ILE 68 1HG1 ILE 68 -9.247 -4.633 -2.614 531 HG13 ILE 68 2HG1 ILE 68 -10.255 -3.498 -1.723 532 HG21 ILE 68 1HG2 ILE 68 -10.117 -7.645 -1.094 533 HG22 ILE 68 2HG2 ILE 68 -8.727 -6.713 -1.647 534 HG23 ILE 68 3HG2 ILE 68 -9.100 -6.801 0.074 535 HD11 ILE 68 3HD1 ILE 68 -7.505 -4.287 -1.283 536 HD12 ILE 68 1HD1 ILE 68 -8.391 -2.882 -0.693 537 HD13 ILE 68 2HD1 ILE 68 -8.486 -4.413 0.177 538 H GLU 69 H GLU 69 -12.851 -7.660 -3.178 539 HA GLU 69 HA GLU 69 -14.208 -8.793 -0.900 540 HB2 GLU 69 1HB GLU 69 -14.102 -9.783 -3.754 541 HB3 GLU 69 2HB GLU 69 -15.229 -10.310 -2.511 542 HG2 GLU 69 1HG GLU 69 -15.873 -7.791 -2.416 543 HG3 GLU 69 2HG GLU 69 -15.138 -7.741 -4.017 544 H ASN 70 H ASN 70 -11.455 -8.934 -0.557 545 HA ASN 70 HA ASN 70 -11.123 -11.797 -0.263 546 HB2 ASN 70 1HB ASN 70 -10.153 -10.982 -2.547 547 HB3 ASN 70 2HB ASN 70 -8.850 -10.327 -1.559 548 HD21 ASN 70 2HD2 ASN 70 -7.977 -13.679 -0.367 549 HD22 ASN 70 1HD2 ASN 70 -8.449 -12.170 0.329 550 H SER 71 H SER 71 -10.803 -11.852 1.869 551 HA SER 71 HA SER 71 -9.694 -9.808 3.425 552 HB2 SER 71 1HB SER 71 -9.988 -12.768 3.966 553 HB3 SER 71 2HB SER 71 -9.450 -11.608 5.180 554 HG SER 71 HG SER 71 -11.434 -10.537 4.956 555 H SER 72 H SER 72 -8.214 -12.932 2.539 556 HA SER 72 HA SER 72 -5.751 -12.775 3.558 557 HB2 SER 72 1HB SER 72 -6.306 -13.506 0.672 558 HB3 SER 72 2HB SER 72 -4.886 -13.983 1.602 559 HG SER 72 HG SER 72 -6.075 -15.364 2.751 560 H HIS 73 H HIS 73 -6.883 -10.897 0.798 561 HA HIS 73 HA HIS 73 -4.375 -9.736 0.157 562 HB2 HIS 73 1HB HIS 73 -6.233 -9.800 -1.445 563 HB3 HIS 73 2HB HIS 73 -7.172 -8.728 -0.409 564 HD1 HIS 73 1HD HIS 73 -6.687 -6.239 -0.548 565 HD2 HIS 73 2HD HIS 73 -4.064 -8.548 -2.795 566 HE1 HIS 73 1HE HIS 73 -5.397 -4.607 -1.961 567 HE2 HIS 73 2HE HIS 73 -3.876 -6.034 -3.374 568 H ARG 74 H ARG 74 -7.145 -8.584 2.061 569 HA ARG 74 HA ARG 74 -6.127 -6.061 2.705 570 HB2 ARG 74 1HB ARG 74 -8.143 -7.881 3.964 571 HB3 ARG 74 2HB ARG 74 -7.637 -6.431 4.821 572 HG2 ARG 74 1HG ARG 74 -8.319 -5.072 2.891 573 HG3 ARG 74 2HG ARG 74 -8.872 -6.537 2.078 574 HD2 ARG 74 1HD ARG 74 -9.894 -5.913 4.809 575 HD3 ARG 74 2HD ARG 74 -10.544 -5.030 3.428 576 HE ARG 74 HE ARG 74 -10.789 -7.555 2.601 577 HH11 ARG 74 2HH1 ARG 74 -11.600 -6.052 5.635 578 HH12 ARG 74 1HH1 ARG 74 -12.914 -7.131 5.967 579 HH21 ARG 74 1HH2 ARG 74 -13.435 -8.797 4.483 580 HH22 ARG 74 2HH2 ARG 74 -12.518 -8.981 3.027 581 H ARG 75 H ARG 75 -5.758 -9.182 4.329 582 HA ARG 75 HA ARG 75 -4.454 -8.305 6.634 583 HB2 ARG 75 1HB ARG 75 -5.318 -10.600 6.298 584 HB3 ARG 75 2HB ARG 75 -4.022 -10.903 5.149 585 HG2 ARG 75 1HG ARG 75 -3.417 -10.054 7.953 586 HG3 ARG 75 2HG ARG 75 -3.761 -11.740 7.564 587 HD2 ARG 75 1HD ARG 75 -1.969 -11.272 5.667 588 HD3 ARG 75 2HD ARG 75 -1.439 -10.046 6.817 589 HE ARG 75 HE ARG 75 -0.607 -11.710 8.142 590 HH11 ARG 75 2HH1 ARG 75 -2.854 -13.093 5.870 591 HH12 ARG 75 1HH1 ARG 75 -2.495 -14.729 6.312 592 HH21 ARG 75 1HH2 ARG 75 -0.944 -15.165 7.941 593 HH22 ARG 75 2HH2 ARG 75 -0.126 -13.861 8.733 594 H VAL 76 H VAL 76 -3.073 -9.397 3.541 595 HA VAL 76 HA VAL 76 -0.380 -9.107 4.188 596 HB VAL 76 HB VAL 76 -1.651 -8.651 1.485 597 HG11 VAL 76 1HG1 VAL 76 0.857 -9.805 1.174 598 HG12 VAL 76 2HG1 VAL 76 0.417 -8.128 0.846 599 HG13 VAL 76 3HG1 VAL 76 1.086 -8.574 2.415 600 HG21 VAL 76 3HG2 VAL 76 -0.390 -11.216 2.366 601 HG22 VAL 76 1HG2 VAL 76 -2.069 -10.865 2.778 602 HG23 VAL 76 2HG2 VAL 76 -1.570 -10.930 1.087 603 H ILE 77 H ILE 77 -2.626 -6.753 2.765 604 HA ILE 77 HA ILE 77 -0.750 -4.670 2.462 605 HB ILE 77 HB ILE 77 -3.750 -4.682 2.671 606 HG12 ILE 77 1HG1 ILE 77 -1.905 -3.942 0.392 607 HG13 ILE 77 2HG1 ILE 77 -2.608 -5.541 0.612 608 HG21 ILE 77 1HG2 ILE 77 -3.692 -2.540 3.281 609 HG22 ILE 77 2HG2 ILE 77 -1.950 -2.439 3.033 610 HG23 ILE 77 3HG2 ILE 77 -3.049 -2.201 1.674 611 HD11 ILE 77 3HD1 ILE 77 -4.310 -3.085 0.399 612 HD12 ILE 77 1HD1 ILE 77 -3.746 -3.962 -1.023 613 HD13 ILE 77 2HD1 ILE 77 -4.767 -4.772 0.165 614 H LEU 78 H LEU 78 -3.337 -4.986 4.904 615 HA LEU 78 HA LEU 78 -2.594 -2.888 6.535 616 HB2 LEU 78 1HB LEU 78 -3.962 -5.493 7.081 617 HB3 LEU 78 2HB LEU 78 -3.612 -4.374 8.397 618 HG LEU 78 HG LEU 78 -5.150 -3.468 5.989 619 HD11 LEU 78 1HD1 LEU 78 -6.062 -5.613 7.219 620 HD12 LEU 78 2HD1 LEU 78 -7.140 -4.304 6.734 621 HD13 LEU 78 3HD1 LEU 78 -6.594 -4.422 8.407 622 HD21 LEU 78 3HD2 LEU 78 -5.882 -1.738 7.370 623 HD22 LEU 78 1HD2 LEU 78 -4.186 -1.936 7.811 624 HD23 LEU 78 2HD2 LEU 78 -5.449 -2.603 8.846 625 H THR 79 H THR 79 -1.782 -6.316 7.108 626 HA THR 79 HA THR 79 -0.079 -6.032 9.232 627 HB THR 79 HB THR 79 0.284 -7.961 6.931 628 HG1 THR 79 1HG THR 79 -1.767 -8.163 7.884 629 HG21 THR 79 3HG2 THR 79 1.427 -9.371 8.584 630 HG22 THR 79 1HG2 THR 79 1.265 -8.091 9.786 631 HG23 THR 79 2HG2 THR 79 2.266 -7.837 8.356 632 H GLU 80 H GLU 80 0.963 -6.165 5.818 633 HA GLU 80 HA GLU 80 3.644 -5.579 6.235 634 HB2 GLU 80 1HB GLU 80 1.807 -5.100 3.903 635 HB3 GLU 80 2HB GLU 80 3.495 -4.611 3.845 636 HG2 GLU 80 1HG GLU 80 2.875 -7.399 4.650 637 HG3 GLU 80 2HG GLU 80 2.688 -6.957 2.954 638 H LEU 81 H LEU 81 0.894 -3.402 5.850 639 HA LEU 81 HA LEU 81 2.313 -0.993 5.654 640 HB2 LEU 81 1HB LEU 81 -0.242 -1.590 5.406 641 HB3 LEU 81 2HB LEU 81 -0.291 -1.090 7.096 642 HG LEU 81 HG LEU 81 0.769 1.092 6.315 643 HD11 LEU 81 1HD1 LEU 81 1.570 0.771 4.192 644 HD12 LEU 81 2HD1 LEU 81 0.006 1.506 3.844 645 HD13 LEU 81 3HD1 LEU 81 0.208 -0.241 3.710 646 HD21 LEU 81 3HD2 LEU 81 -1.994 0.140 5.975 647 HD22 LEU 81 1HD2 LEU 81 -1.600 1.640 5.135 648 HD23 LEU 81 2HD2 LEU 81 -1.368 1.520 6.879 649 H GLU 82 H GLU 82 1.339 -2.907 8.430 650 HA GLU 82 HA GLU 82 1.816 -1.006 10.439 651 HB2 GLU 82 1HB GLU 82 0.610 -3.134 10.801 652 HB3 GLU 82 2HB GLU 82 2.121 -4.010 10.600 653 HG2 GLU 82 1HG GLU 82 1.640 -3.824 12.932 654 HG3 GLU 82 2HG GLU 82 3.032 -2.809 12.558 655 H ARG 83 H ARG 83 3.962 -3.111 8.656 656 HA ARG 83 HA ARG 83 6.219 -2.706 10.379 657 HB2 ARG 83 1HB ARG 83 6.231 -3.673 7.518 658 HB3 ARG 83 2HB ARG 83 7.479 -3.924 8.731 659 HG2 ARG 83 1HG ARG 83 5.536 -5.112 10.030 660 HG3 ARG 83 2HG ARG 83 4.843 -5.263 8.414 661 HD2 ARG 83 1HD ARG 83 6.101 -7.239 8.832 662 HD3 ARG 83 2HD ARG 83 7.016 -6.270 7.678 663 HE ARG 83 HE ARG 83 8.658 -5.965 9.267 664 HH11 ARG 83 2HH1 ARG 83 5.851 -7.424 10.719 665 HH12 ARG 83 1HH1 ARG 83 6.655 -7.803 12.206 666 HH21 ARG 83 1HH2 ARG 83 8.861 -7.252 12.490 667 HH22 ARG 83 2HH2 ARG 83 9.729 -6.458 11.220 668 H VAL 84 H VAL 84 5.403 -1.588 7.092 669 HA VAL 84 HA VAL 84 7.600 0.122 6.775 670 HB VAL 84 HB VAL 84 6.205 1.276 5.049 671 HG11 VAL 84 1HG1 VAL 84 6.081 -0.642 3.548 672 HG12 VAL 84 2HG1 VAL 84 7.561 -0.688 4.507 673 HG13 VAL 84 3HG1 VAL 84 6.207 -1.738 4.923 674 HG21 VAL 84 3HG2 VAL 84 4.028 -0.135 4.575 675 HG22 VAL 84 1HG2 VAL 84 4.110 -0.418 6.314 676 HG23 VAL 84 2HG2 VAL 84 4.006 1.229 5.692 677 H ARG 85 H ARG 85 4.443 0.634 8.239 678 HA ARG 85 HA ARG 85 4.905 3.465 8.616 679 HB2 ARG 85 1HB ARG 85 2.707 3.610 9.266 680 HB3 ARG 85 2HB ARG 85 2.636 2.161 8.272 681 HG2 ARG 85 1HG ARG 85 3.043 0.894 10.477 682 HG3 ARG 85 2HG ARG 85 2.564 2.406 11.250 683 HD2 ARG 85 1HD ARG 85 0.905 1.004 9.165 684 HD3 ARG 85 2HD ARG 85 0.717 0.734 10.897 685 HE ARG 85 HE ARG 85 -0.190 2.999 9.393 686 HH11 ARG 85 2HH1 ARG 85 0.831 1.895 12.533 687 HH12 ARG 85 1HH1 ARG 85 -0.034 3.127 13.392 688 HH21 ARG 85 1HH2 ARG 85 -1.265 4.679 12.241 689 HH22 ARG 85 2HH2 ARG 85 -1.333 4.626 10.512 690 H SER 86 H SER 86 4.097 4.116 11.048 691 HA SER 86 HA SER 86 6.315 3.543 12.689 692 HB2 SER 86 1HB SER 86 4.723 5.591 12.716 693 HB3 SER 86 2HB SER 86 3.713 4.600 13.769 694 HG SER 86 HG SER 86 6.421 4.766 14.391 695 H GLY 87 H GLY 87 6.212 2.630 14.895 696 HA2 GLY 87 1HA GLY 87 4.818 1.223 16.416 697 HA3 GLY 87 2HA GLY 87 4.373 0.317 14.977 698 HA PRO 88 HA PRO 88 7.662 -2.469 15.794 699 HB2 PRO 88 2HB PRO 88 6.720 -3.835 14.205 700 HB3 PRO 88 1HB PRO 88 8.159 -3.378 13.285 701 HG2 PRO 88 1HG PRO 88 7.020 -1.768 12.061 702 HG3 PRO 88 2HG PRO 88 5.720 -2.949 12.302 703 HD2 PRO 88 1HD PRO 88 5.485 -0.354 13.039 704 HD3 PRO 88 2HD PRO 88 4.690 -1.674 13.922 705 H SER 89 H SER 89 8.097 0.432 14.239 706 HA SER 89 HA SER 89 10.381 0.546 12.873 707 HB2 SER 89 1HB SER 89 9.742 2.312 15.248 708 HB3 SER 89 2HB SER 89 10.913 2.695 13.987 709 HG SER 89 HG SER 89 8.173 2.854 13.951 710 H SER 90 H SER 90 12.349 -0.273 13.046 711 HA SER 90 HA SER 90 13.817 -0.218 15.510 712 HB2 SER 90 1HB SER 90 12.298 -2.307 15.603 713 HB3 SER 90 2HB SER 90 13.370 -2.968 14.369 714 HG SER 90 HG SER 90 15.027 -2.125 16.090 715 H GLY 91 H GLY 91 16.008 -0.363 15.186 716 HA2 GLY 91 1HA GLY 91 17.521 -1.576 13.339 717 HA3 GLY 91 2HA GLY 91 16.871 -0.231 12.415 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.083 5.653 -17.889 2 HA2 GLY 1 1HA GLY 1 10.995 3.244 -17.588 3 HA3 GLY 1 2HA GLY 1 10.466 3.078 -19.255 4 H SER 2 H SER 2 12.975 4.040 -17.195 5 HA SER 2 HA SER 2 14.499 5.034 -19.507 6 HB2 SER 2 1HB SER 2 15.561 6.726 -18.157 7 HB3 SER 2 2HB SER 2 13.815 6.907 -17.981 8 HG SER 2 HG SER 2 13.974 5.787 -15.999 9 H SER 3 H SER 3 16.784 4.683 -19.399 10 HA SER 3 HA SER 3 17.438 2.198 -18.067 11 HB2 SER 3 1HB SER 3 19.147 3.922 -19.877 12 HB3 SER 3 2HB SER 3 19.498 2.268 -19.378 13 HG SER 3 HG SER 3 17.909 1.526 -20.652 14 H GLY 4 H GLY 4 18.086 2.236 -16.018 15 HA2 GLY 4 1HA GLY 4 20.061 2.732 -14.622 16 HA3 GLY 4 2HA GLY 4 19.939 4.388 -15.197 17 H SER 5 H SER 5 18.901 5.797 -13.948 18 HA SER 5 HA SER 5 18.101 5.384 -11.398 19 HB2 SER 5 1HB SER 5 18.284 7.614 -12.452 20 HB3 SER 5 2HB SER 5 16.772 7.320 -13.310 21 HG SER 5 HG SER 5 17.168 8.159 -10.769 22 H SER 6 H SER 6 16.836 3.761 -10.732 23 HA SER 6 HA SER 6 14.108 3.629 -11.823 24 HB2 SER 6 1HB SER 6 14.149 1.193 -11.714 25 HB3 SER 6 2HB SER 6 15.458 1.766 -12.748 26 HG SER 6 HG SER 6 16.018 1.401 -10.042 27 H GLY 7 H GLY 7 12.510 2.797 -10.358 28 HA2 GLY 7 1HA GLY 7 12.467 3.866 -7.856 29 HA3 GLY 7 2HA GLY 7 11.551 2.431 -8.292 30 H GLU 8 H GLU 8 12.995 3.287 -5.789 31 HA GLU 8 HA GLU 8 14.969 1.136 -5.555 32 HB2 GLU 8 1HB GLU 8 14.301 3.431 -3.705 33 HB3 GLU 8 2HB GLU 8 15.521 2.209 -3.375 34 HG2 GLU 8 1HG GLU 8 16.453 2.974 -5.707 35 HG3 GLU 8 2HG GLU 8 15.555 4.444 -5.332 36 H HIS 9 H HIS 9 14.827 -0.474 -3.993 37 HA HIS 9 HA HIS 9 12.205 -0.743 -2.676 38 HB2 HIS 9 1HB HIS 9 12.694 -3.287 -2.958 39 HB3 HIS 9 2HB HIS 9 12.064 -2.376 -4.327 40 HD1 HIS 9 1HD HIS 9 13.115 -4.145 -5.935 41 HD2 HIS 9 2HD HIS 9 15.861 -2.042 -3.633 42 HE1 HIS 9 1HE HIS 9 15.356 -4.591 -6.986 43 HE2 HIS 9 2HE HIS 9 17.011 -3.378 -5.526 44 H GLY 10 H GLY 10 12.735 -0.187 -0.622 45 HA2 GLY 10 1HA GLY 10 13.646 -1.836 1.256 46 HA3 GLY 10 2HA GLY 10 15.163 -1.249 0.590 47 H LEU 11 H LEU 11 14.167 1.419 0.037 48 HA LEU 11 HA LEU 11 14.588 2.540 2.654 49 HB2 LEU 11 1HB LEU 11 14.821 4.609 1.583 50 HB3 LEU 11 2HB LEU 11 15.520 3.431 0.474 51 HG LEU 11 HG LEU 11 14.310 4.969 -0.849 52 HD11 LEU 11 1HD1 LEU 11 12.625 2.504 -0.437 53 HD12 LEU 11 2HD1 LEU 11 14.007 2.662 -1.520 54 HD13 LEU 11 3HD1 LEU 11 12.535 3.583 -1.829 55 HD21 LEU 11 3HD2 LEU 11 11.722 4.515 0.537 56 HD22 LEU 11 1HD2 LEU 11 12.303 5.926 -0.347 57 HD23 LEU 11 2HD2 LEU 11 12.885 5.609 1.287 58 H LEU 12 H LEU 12 11.897 1.476 0.993 59 HA LEU 12 HA LEU 12 9.913 3.333 1.399 60 HB2 LEU 12 1HB LEU 12 9.834 0.335 1.623 61 HB3 LEU 12 2HB LEU 12 8.388 1.339 1.699 62 HG LEU 12 HG LEU 12 10.241 1.439 -0.661 63 HD11 LEU 12 1HD1 LEU 12 9.644 -0.884 -0.433 64 HD12 LEU 12 2HD1 LEU 12 8.727 -0.174 -1.762 65 HD13 LEU 12 3HD1 LEU 12 7.947 -0.463 -0.207 66 HD21 LEU 12 3HD2 LEU 12 7.610 2.519 0.078 67 HD22 LEU 12 1HD2 LEU 12 7.716 1.846 -1.549 68 HD23 LEU 12 2HD2 LEU 12 8.816 3.133 -1.054 69 H VAL 13 H VAL 13 10.676 0.678 3.661 70 HA VAL 13 HA VAL 13 9.058 1.426 5.755 71 HB VAL 13 HB VAL 13 10.597 0.236 7.250 72 HG11 VAL 13 1HG1 VAL 13 9.151 -1.210 6.131 73 HG12 VAL 13 2HG1 VAL 13 9.958 -0.970 4.581 74 HG13 VAL 13 3HG1 VAL 13 10.743 -1.913 5.848 75 HG21 VAL 13 3HG2 VAL 13 12.638 -0.818 6.069 76 HG22 VAL 13 1HG2 VAL 13 12.455 0.504 4.916 77 HG23 VAL 13 2HG2 VAL 13 12.749 0.853 6.619 78 H HIS 14 H HIS 14 12.303 2.596 4.980 79 HA HIS 14 HA HIS 14 12.765 4.106 7.284 80 HB2 HIS 14 1HB HIS 14 14.462 3.578 5.528 81 HB3 HIS 14 2HB HIS 14 13.693 4.769 4.483 82 HD1 HIS 14 1HD HIS 14 15.879 6.172 4.448 83 HD2 HIS 14 2HD HIS 14 14.187 5.725 8.216 84 HE1 HIS 14 1HE HIS 14 17.036 7.861 5.909 85 HE2 HIS 14 2HE HIS 14 16.056 7.513 8.203 86 H LYS 15 H LYS 15 11.616 5.286 4.117 87 HA LYS 15 HA LYS 15 10.864 7.832 5.177 88 HB2 LYS 15 1HB LYS 15 11.544 7.624 2.854 89 HB3 LYS 15 2HB LYS 15 10.226 6.504 2.537 90 HG2 LYS 15 1HG LYS 15 8.704 8.450 3.293 91 HG3 LYS 15 2HG LYS 15 10.125 9.455 2.998 92 HD2 LYS 15 1HD LYS 15 10.238 8.582 0.699 93 HD3 LYS 15 2HD LYS 15 8.785 7.627 1.003 94 HE2 LYS 15 1HE LYS 15 7.455 9.576 1.256 95 HE3 LYS 15 2HE LYS 15 8.875 10.619 1.316 96 HZ1 LYS 15 3HZ LYS 15 7.547 10.483 -0.853 97 HZ2 LYS 15 1HZ LYS 15 8.307 8.988 -1.075 98 HZ3 LYS 15 2HZ LYS 15 9.234 10.397 -0.946 99 H ALA 16 H ALA 16 9.033 8.390 6.153 100 HA ALA 16 HA ALA 16 7.085 6.645 6.998 101 HB1 ALA 16 3HB ALA 16 7.486 9.479 7.031 102 HB2 ALA 16 1HB ALA 16 5.791 9.122 6.700 103 HB3 ALA 16 2HB ALA 16 6.565 8.470 8.146 104 H VAL 17 H VAL 17 5.209 5.839 6.215 105 HA VAL 17 HA VAL 17 4.794 5.698 3.440 106 HB VAL 17 HB VAL 17 2.806 5.116 5.640 107 HG11 VAL 17 1HG1 VAL 17 2.269 5.312 2.990 108 HG12 VAL 17 2HG1 VAL 17 2.708 3.608 3.121 109 HG13 VAL 17 3HG1 VAL 17 1.400 4.261 4.108 110 HG21 VAL 17 3HG2 VAL 17 5.242 3.897 5.196 111 HG22 VAL 17 1HG2 VAL 17 3.875 3.203 6.068 112 HG23 VAL 17 2HG2 VAL 17 4.098 2.850 4.355 113 H ASP 18 H ASP 18 3.443 7.793 5.911 114 HA ASP 18 HA ASP 18 1.332 8.877 4.389 115 HB2 ASP 18 1HB ASP 18 1.769 10.886 6.051 116 HB3 ASP 18 2HB ASP 18 1.085 9.367 6.624 117 H LYS 19 H LYS 19 4.591 9.062 3.859 118 HA LYS 19 HA LYS 19 4.385 11.688 2.541 119 HB2 LYS 19 1HB LYS 19 6.635 10.253 3.870 120 HB3 LYS 19 2HB LYS 19 7.014 11.298 2.507 121 HG2 LYS 19 1HG LYS 19 7.280 12.616 4.436 122 HG3 LYS 19 2HG LYS 19 5.751 13.121 3.712 123 HD2 LYS 19 1HD LYS 19 4.486 12.119 5.369 124 HD3 LYS 19 2HD LYS 19 5.768 10.987 5.806 125 HE2 LYS 19 1HE LYS 19 5.913 13.959 6.283 126 HE3 LYS 19 2HE LYS 19 5.340 12.801 7.482 127 HZ1 LYS 19 3HZ LYS 19 8.043 13.328 6.556 128 HZ2 LYS 19 1HZ LYS 19 7.662 11.701 6.821 129 HZ3 LYS 19 2HZ LYS 19 7.497 12.823 8.075 130 H TRP 20 H TRP 20 4.211 8.475 1.900 131 HA TRP 20 HA TRP 20 5.842 8.191 -0.392 132 HB2 TRP 20 1HB TRP 20 3.345 6.722 0.472 133 HB3 TRP 20 2HB TRP 20 4.330 6.251 -0.910 134 HD1 TRP 20 HD TRP 20 6.590 7.431 1.733 135 HE1 TRP 20 1HE TRP 20 7.613 5.450 3.018 136 HE3 TRP 20 3HE TRP 20 3.510 3.706 0.067 137 HZ2 TRP 20 2HZ TRP 20 7.173 2.675 3.289 138 HZ3 TRP 20 3HZ TRP 20 3.878 1.416 0.887 139 HH2 TRP 20 HH TRP 20 5.673 0.913 2.465 140 H THR 21 H THR 21 4.764 7.624 -2.583 141 HA THR 21 HA THR 21 2.705 9.635 -3.208 142 HB THR 21 HB THR 21 3.859 9.901 -5.449 143 HG1 THR 21 1HG THR 21 5.315 8.282 -5.565 144 HG21 THR 21 3HG2 THR 21 4.006 11.663 -3.823 145 HG22 THR 21 1HG2 THR 21 5.601 11.443 -4.539 146 HG23 THR 21 2HG2 THR 21 5.260 10.802 -2.932 147 H THR 22 H THR 22 1.480 9.194 -5.173 148 HA THR 22 HA THR 22 0.233 6.802 -5.284 149 HB THR 22 HB THR 22 0.807 8.224 -7.869 150 HG1 THR 22 1HG THR 22 -1.090 9.556 -7.124 151 HG21 THR 22 3HG2 THR 22 -1.776 7.097 -6.803 152 HG22 THR 22 1HG2 THR 22 -0.627 6.145 -7.742 153 HG23 THR 22 2HG2 THR 22 -1.396 7.560 -8.461 154 H GLU 23 H GLU 23 3.394 7.505 -6.512 155 HA GLU 23 HA GLU 23 3.566 5.150 -8.163 156 HB2 GLU 23 1HB GLU 23 4.867 7.442 -8.323 157 HB3 GLU 23 2HB GLU 23 5.984 6.636 -7.231 158 HG2 GLU 23 1HG GLU 23 6.422 4.918 -8.810 159 HG3 GLU 23 2HG GLU 23 5.113 5.464 -9.856 160 H GLU 24 H GLU 24 5.249 6.201 -5.196 161 HA GLU 24 HA GLU 24 6.495 3.759 -4.655 162 HB2 GLU 24 1HB GLU 24 5.609 5.912 -2.725 163 HB3 GLU 24 2HB GLU 24 6.720 4.606 -2.336 164 HG2 GLU 24 1HG GLU 24 8.180 5.474 -4.213 165 HG3 GLU 24 2HG GLU 24 7.143 6.900 -4.222 166 H VAL 25 H VAL 25 3.361 5.025 -3.596 167 HA VAL 25 HA VAL 25 2.583 3.145 -1.767 168 HB VAL 25 HB VAL 25 0.956 4.551 -3.875 169 HG11 VAL 25 1HG1 VAL 25 -0.623 2.999 -3.541 170 HG12 VAL 25 2HG1 VAL 25 0.179 2.355 -2.107 171 HG13 VAL 25 3HG1 VAL 25 -0.852 3.780 -1.978 172 HG21 VAL 25 3HG2 VAL 25 2.044 5.315 -1.382 173 HG22 VAL 25 1HG2 VAL 25 0.973 6.240 -2.434 174 HG23 VAL 25 2HG2 VAL 25 0.296 5.205 -1.177 175 H VAL 26 H VAL 26 2.146 2.927 -5.296 176 HA VAL 26 HA VAL 26 1.050 0.307 -5.235 177 HB VAL 26 HB VAL 26 2.327 1.852 -7.494 178 HG11 VAL 26 1HG1 VAL 26 2.514 -0.442 -8.075 179 HG12 VAL 26 2HG1 VAL 26 0.885 -0.791 -7.493 180 HG13 VAL 26 3HG1 VAL 26 1.113 0.188 -8.942 181 HG21 VAL 26 3HG2 VAL 26 0.301 2.739 -7.931 182 HG22 VAL 26 1HG2 VAL 26 -0.558 1.268 -7.474 183 HG23 VAL 26 2HG2 VAL 26 -0.001 2.388 -6.230 184 H LEU 27 H LEU 27 4.307 1.583 -5.579 185 HA LEU 27 HA LEU 27 5.601 -0.747 -6.435 186 HB2 LEU 27 1HB LEU 27 6.418 1.755 -5.070 187 HB3 LEU 27 2HB LEU 27 7.543 0.399 -5.015 188 HG LEU 27 HG LEU 27 6.494 1.773 -7.488 189 HD11 LEU 27 1HD1 LEU 27 8.884 2.068 -5.826 190 HD12 LEU 27 2HD1 LEU 27 8.161 3.180 -6.987 191 HD13 LEU 27 3HD1 LEU 27 9.214 1.881 -7.548 192 HD21 LEU 27 3HD2 LEU 27 6.722 -0.476 -8.107 193 HD22 LEU 27 1HD2 LEU 27 8.167 -0.693 -7.119 194 HD23 LEU 27 2HD2 LEU 27 8.243 0.276 -8.590 195 H TRP 28 H TRP 28 5.182 0.525 -3.134 196 HA TRP 28 HA TRP 28 6.444 -1.552 -1.774 197 HB2 TRP 28 1HB TRP 28 5.973 0.340 -0.482 198 HB3 TRP 28 2HB TRP 28 4.294 0.400 -1.010 199 HD1 TRP 28 HD TRP 28 6.591 -1.553 1.386 200 HE1 TRP 28 1HE TRP 28 5.128 -2.632 3.207 201 HE3 TRP 28 3HE TRP 28 1.978 -0.362 -0.468 202 HZ2 TRP 28 2HZ TRP 28 2.382 -2.939 3.782 203 HZ3 TRP 28 3HZ TRP 28 -0.016 -1.087 0.778 204 HH2 TRP 28 HH TRP 28 0.183 -2.349 2.858 205 H LEU 29 H LEU 29 3.095 -1.239 -2.856 206 HA LEU 29 HA LEU 29 2.239 -3.683 -1.637 207 HB2 LEU 29 1HB LEU 29 0.589 -2.026 -1.990 208 HB3 LEU 29 2HB LEU 29 1.026 -1.853 -3.688 209 HG LEU 29 HG LEU 29 0.219 -4.333 -3.853 210 HD11 LEU 29 1HD1 LEU 29 -1.653 -4.781 -2.302 211 HD12 LEU 29 2HD1 LEU 29 -1.175 -3.368 -1.361 212 HD13 LEU 29 3HD1 LEU 29 -0.082 -4.745 -1.501 213 HD21 LEU 29 3HD2 LEU 29 -1.119 -1.767 -4.044 214 HD22 LEU 29 1HD2 LEU 29 -2.244 -3.084 -3.715 215 HD23 LEU 29 2HD2 LEU 29 -1.185 -3.161 -5.124 216 H GLU 30 H GLU 30 3.654 -2.786 -4.678 217 HA GLU 30 HA GLU 30 2.944 -5.217 -6.037 218 HB2 GLU 30 1HB GLU 30 4.626 -2.832 -6.659 219 HB3 GLU 30 2HB GLU 30 4.888 -4.302 -7.587 220 HG2 GLU 30 1HG GLU 30 2.368 -4.271 -8.006 221 HG3 GLU 30 2HG GLU 30 2.424 -2.608 -7.422 222 H GLN 31 H GLN 31 4.745 -4.920 -3.459 223 HA GLN 31 HA GLN 31 6.859 -6.747 -4.391 224 HB2 GLN 31 1HB GLN 31 6.824 -4.689 -2.201 225 HB3 GLN 31 2HB GLN 31 7.978 -6.016 -2.177 226 HG2 GLN 31 1HG GLN 31 8.844 -5.309 -4.345 227 HG3 GLN 31 2HG GLN 31 7.682 -3.983 -4.378 228 HE21 GLN 31 2HE2 GLN 31 9.417 -1.981 -2.062 229 HE22 GLN 31 1HE2 GLN 31 7.871 -2.339 -2.744 230 H LEU 32 H LEU 32 4.181 -6.319 -2.270 231 HA LEU 32 HA LEU 32 4.786 -8.367 -0.402 232 HB2 LEU 32 1HB LEU 32 1.987 -7.611 -1.127 233 HB3 LEU 32 2HB LEU 32 2.652 -8.046 0.446 234 HG LEU 32 HG LEU 32 2.980 -5.429 -1.014 235 HD11 LEU 32 1HD1 LEU 32 1.953 -5.602 1.746 236 HD12 LEU 32 2HD1 LEU 32 0.896 -6.221 0.478 237 HD13 LEU 32 3HD1 LEU 32 1.468 -4.554 0.413 238 HD21 LEU 32 3HD2 LEU 32 4.768 -4.943 0.212 239 HD22 LEU 32 1HD2 LEU 32 4.830 -6.642 0.683 240 HD23 LEU 32 2HD2 LEU 32 3.972 -5.477 1.693 241 H GLY 33 H GLY 33 3.454 -8.360 -3.605 242 HA2 GLY 33 1HA GLY 33 3.805 -11.092 -4.023 243 HA3 GLY 33 2HA GLY 33 2.136 -10.864 -3.524 244 HA PRO 34 HA PRO 34 2.820 -10.053 -8.162 245 HB2 PRO 34 2HB PRO 34 3.421 -12.188 -8.760 246 HB3 PRO 34 1HB PRO 34 1.697 -12.331 -9.122 247 HG2 PRO 34 1HG PRO 34 1.234 -13.405 -7.117 248 HG3 PRO 34 2HG PRO 34 2.874 -14.009 -7.420 249 HD2 PRO 34 1HD PRO 34 2.190 -12.738 -5.130 250 HD3 PRO 34 2HD PRO 34 3.813 -12.620 -5.839 251 H TRP 35 H TRP 35 0.227 -11.249 -6.153 252 HA TRP 35 HA TRP 35 -1.912 -10.714 -7.933 253 HB2 TRP 35 1HB TRP 35 -3.288 -10.735 -5.785 254 HB3 TRP 35 2HB TRP 35 -2.374 -12.196 -6.148 255 HD1 TRP 35 HD TRP 35 -0.916 -13.095 -4.240 256 HE1 TRP 35 1HE TRP 35 -0.044 -12.172 -2.002 257 HE3 TRP 35 3HE TRP 35 -2.515 -8.259 -4.679 258 HZ2 TRP 35 2HZ TRP 35 -0.035 -9.718 -0.607 259 HZ3 TRP 35 3HZ TRP 35 -2.035 -6.687 -2.849 260 HH2 TRP 35 HH TRP 35 -0.821 -7.404 -0.855 261 H ALA 36 H ALA 36 0.111 -8.684 -6.105 262 HA ALA 36 HA ALA 36 -1.539 -6.570 -5.391 263 HB1 ALA 36 3HB ALA 36 0.668 -6.513 -4.597 264 HB2 ALA 36 1HB ALA 36 1.347 -6.662 -6.219 265 HB3 ALA 36 2HB ALA 36 0.560 -5.162 -5.726 266 H SER 37 H SER 37 -0.020 -7.292 -8.499 267 HA SER 37 HA SER 37 -0.621 -4.907 -9.824 268 HB2 SER 37 1HB SER 37 0.884 -6.346 -10.924 269 HB3 SER 37 2HB SER 37 -0.200 -7.730 -10.785 270 HG SER 37 HG SER 37 -0.084 -5.785 -12.701 271 H LEU 38 H LEU 38 -2.699 -7.308 -8.666 272 HA LEU 38 HA LEU 38 -4.786 -6.950 -10.620 273 HB2 LEU 38 1HB LEU 38 -4.934 -8.226 -7.894 274 HB3 LEU 38 2HB LEU 38 -6.108 -8.389 -9.198 275 HG LEU 38 HG LEU 38 -3.268 -9.356 -9.438 276 HD11 LEU 38 1HD1 LEU 38 -4.024 -11.557 -8.841 277 HD12 LEU 38 2HD1 LEU 38 -5.676 -10.977 -8.626 278 HD13 LEU 38 3HD1 LEU 38 -4.405 -10.446 -7.525 279 HD21 LEU 38 3HD2 LEU 38 -3.970 -9.493 -11.566 280 HD22 LEU 38 1HD2 LEU 38 -5.672 -9.365 -11.120 281 HD23 LEU 38 2HD2 LEU 38 -4.846 -10.919 -11.007 282 H TYR 39 H TYR 39 -3.704 -5.265 -7.889 283 HA TYR 39 HA TYR 39 -6.276 -3.839 -7.694 284 HB2 TYR 39 1HB TYR 39 -4.181 -4.132 -5.532 285 HB3 TYR 39 2HB TYR 39 -5.729 -3.308 -5.378 286 HD1 TYR 39 1HD TYR 39 -4.100 -6.595 -5.722 287 HD2 TYR 39 2HD TYR 39 -7.752 -4.533 -5.008 288 HE1 TYR 39 1HE TYR 39 -5.141 -8.702 -4.997 289 HE2 TYR 39 2HE TYR 39 -8.803 -6.634 -4.280 290 HH TYR 39 HH TYR 39 -8.234 -8.794 -3.472 291 H ARG 40 H ARG 40 -2.790 -3.587 -7.899 292 HA ARG 40 HA ARG 40 -2.196 -1.010 -7.413 293 HB2 ARG 40 1HB ARG 40 -0.418 -1.155 -8.964 294 HB3 ARG 40 2HB ARG 40 -0.693 -2.802 -8.411 295 HG2 ARG 40 1HG ARG 40 -1.968 -3.268 -10.449 296 HG3 ARG 40 2HG ARG 40 -1.661 -1.621 -11.005 297 HD2 ARG 40 1HD ARG 40 0.664 -3.303 -10.226 298 HD3 ARG 40 2HD ARG 40 -0.142 -3.654 -11.755 299 HE ARG 40 HE ARG 40 1.472 -1.346 -11.125 300 HH11 ARG 40 2HH1 ARG 40 -0.947 -2.700 -13.231 301 HH12 ARG 40 1HH1 ARG 40 -0.604 -1.615 -14.537 302 HH21 ARG 40 1HH2 ARG 40 1.034 -0.030 -14.313 303 HH22 ARG 40 2HH2 ARG 40 1.933 0.088 -12.838 304 H ASP 41 H ASP 41 -3.883 -2.192 -10.287 305 HA ASP 41 HA ASP 41 -3.976 0.125 -11.793 306 HB2 ASP 41 1HB ASP 41 -6.021 -2.077 -11.482 307 HB3 ASP 41 2HB ASP 41 -6.159 -0.796 -12.683 308 H ARG 42 H ARG 42 -6.148 -0.902 -9.185 309 HA ARG 42 HA ARG 42 -7.925 1.279 -9.371 310 HB2 ARG 42 1HB ARG 42 -7.268 -0.330 -6.899 311 HB3 ARG 42 2HB ARG 42 -8.731 0.599 -7.196 312 HG2 ARG 42 1HG ARG 42 -8.978 -0.990 -9.251 313 HG3 ARG 42 2HG ARG 42 -7.890 -2.026 -8.325 314 HD2 ARG 42 1HD ARG 42 -9.414 -2.295 -6.595 315 HD3 ARG 42 2HD ARG 42 -10.316 -0.845 -7.033 316 HE ARG 42 HE ARG 42 -10.716 -3.491 -8.041 317 HH11 ARG 42 2HH1 ARG 42 -11.008 -0.106 -8.797 318 HH12 ARG 42 1HH1 ARG 42 -12.269 -0.340 -9.962 319 HH21 ARG 42 1HH2 ARG 42 -13.047 -2.450 -10.401 320 HH22 ARG 42 2HH2 ARG 42 -12.376 -3.814 -9.572 321 H PHE 43 H PHE 43 -4.973 0.765 -7.502 322 HA PHE 43 HA PHE 43 -5.099 3.040 -5.886 323 HB2 PHE 43 1HB PHE 43 -2.745 1.494 -6.972 324 HB3 PHE 43 2HB PHE 43 -2.569 2.821 -5.827 325 HD1 PHE 43 2HD PHE 43 -3.853 -0.587 -6.303 326 HD2 PHE 43 1HD PHE 43 -3.124 2.553 -3.524 327 HE1 PHE 43 2HE PHE 43 -4.238 -2.150 -4.442 328 HE2 PHE 43 1HE PHE 43 -3.507 0.995 -1.658 329 HZ PHE 43 HZ PHE 43 -4.066 -1.359 -2.116 330 H LEU 44 H LEU 44 -3.370 2.606 -8.974 331 HA LEU 44 HA LEU 44 -2.479 5.236 -9.245 332 HB2 LEU 44 1HB LEU 44 -3.116 3.110 -11.270 333 HB3 LEU 44 2HB LEU 44 -2.464 4.681 -11.729 334 HG LEU 44 HG LEU 44 -0.596 3.300 -11.685 335 HD11 LEU 44 1HD1 LEU 44 -0.612 4.370 -8.874 336 HD12 LEU 44 2HD1 LEU 44 -0.402 5.392 -10.295 337 HD13 LEU 44 3HD1 LEU 44 0.772 4.125 -9.939 338 HD21 LEU 44 3HD2 LEU 44 -0.118 1.648 -9.997 339 HD22 LEU 44 1HD2 LEU 44 -1.743 1.379 -10.628 340 HD23 LEU 44 2HD2 LEU 44 -1.524 2.148 -9.056 341 H SER 45 H SER 45 -5.310 3.719 -10.802 342 HA SER 45 HA SER 45 -6.348 5.973 -12.021 343 HB2 SER 45 1HB SER 45 -7.113 3.439 -12.023 344 HB3 SER 45 2HB SER 45 -8.246 4.012 -10.799 345 HG SER 45 HG SER 45 -8.418 5.781 -12.657 346 H GLU 46 H GLU 46 -6.882 4.790 -8.726 347 HA GLU 46 HA GLU 46 -8.617 7.018 -8.088 348 HB2 GLU 46 1HB GLU 46 -7.551 4.695 -6.492 349 HB3 GLU 46 2HB GLU 46 -8.481 5.991 -5.753 350 HG2 GLU 46 1HG GLU 46 -9.387 4.061 -7.870 351 HG3 GLU 46 2HG GLU 46 -9.964 4.193 -6.209 352 H ARG 47 H ARG 47 -5.494 6.983 -8.637 353 HA ARG 47 HA ARG 47 -3.618 8.021 -7.817 354 HB2 ARG 47 1HB ARG 47 -5.757 10.076 -7.232 355 HB3 ARG 47 2HB ARG 47 -4.030 10.407 -7.248 356 HG2 ARG 47 1HG ARG 47 -5.547 9.346 -9.619 357 HG3 ARG 47 2HG ARG 47 -5.251 11.060 -9.323 358 HD2 ARG 47 1HD ARG 47 -2.762 10.304 -9.126 359 HD3 ARG 47 2HD ARG 47 -3.319 8.892 -10.022 360 HE ARG 47 HE ARG 47 -4.161 11.297 -11.274 361 HH11 ARG 47 2HH1 ARG 47 -1.388 9.245 -10.801 362 HH12 ARG 47 1HH1 ARG 47 -0.619 9.724 -12.278 363 HH21 ARG 47 1HH2 ARG 47 -1.626 11.255 -13.653 364 HH22 ARG 47 2HH2 ARG 47 -3.158 11.935 -13.221 365 H VAL 48 H VAL 48 -4.656 6.211 -5.938 366 HA VAL 48 HA VAL 48 -4.915 7.375 -3.357 367 HB VAL 48 HB VAL 48 -4.116 4.544 -4.043 368 HG11 VAL 48 1HG1 VAL 48 -3.855 4.364 -1.837 369 HG12 VAL 48 2HG1 VAL 48 -4.558 5.956 -1.547 370 HG13 VAL 48 3HG1 VAL 48 -5.605 4.546 -1.713 371 HG21 VAL 48 3HG2 VAL 48 -6.894 5.473 -3.389 372 HG22 VAL 48 1HG2 VAL 48 -6.292 5.450 -5.046 373 HG23 VAL 48 2HG2 VAL 48 -6.379 3.953 -4.119 374 H ASN 49 H ASN 49 -3.300 8.539 -2.516 375 HA ASN 49 HA ASN 49 -0.532 7.773 -2.968 376 HB2 ASN 49 1HB ASN 49 0.030 9.883 -1.879 377 HB3 ASN 49 2HB ASN 49 -1.189 10.150 -3.121 378 HD21 ASN 49 2HD2 ASN 49 -3.609 11.354 -0.951 379 HD22 ASN 49 1HD2 ASN 49 -3.182 10.882 -2.558 380 H GLY 50 H GLY 50 0.885 8.235 -0.854 381 HA2 GLY 50 1HA GLY 50 0.594 6.063 0.825 382 HA3 GLY 50 2HA GLY 50 1.516 7.503 1.230 383 H ARG 51 H ARG 51 -0.031 9.431 1.823 384 HA ARG 51 HA ARG 51 -1.110 9.012 4.277 385 HB2 ARG 51 1HB ARG 51 -0.831 11.192 2.775 386 HB3 ARG 51 2HB ARG 51 -2.556 10.948 2.536 387 HG2 ARG 51 1HG ARG 51 -2.589 12.323 4.352 388 HG3 ARG 51 2HG ARG 51 -2.560 10.752 5.156 389 HD2 ARG 51 1HD ARG 51 -0.042 10.977 5.218 390 HD3 ARG 51 2HD ARG 51 -0.269 12.650 4.709 391 HE ARG 51 HE ARG 51 -1.753 11.860 7.064 392 HH11 ARG 51 2HH1 ARG 51 1.167 13.267 5.792 393 HH12 ARG 51 1HH1 ARG 51 1.561 14.098 7.260 394 HH21 ARG 51 1HH2 ARG 51 0.189 13.916 9.086 395 HH22 ARG 51 2HH2 ARG 51 -1.245 12.949 9.003 396 H LEU 52 H LEU 52 -3.166 9.370 1.380 397 HA LEU 52 HA LEU 52 -5.569 8.624 2.443 398 HB2 LEU 52 1HB LEU 52 -5.370 9.430 0.184 399 HB3 LEU 52 2HB LEU 52 -4.462 7.995 -0.288 400 HG LEU 52 HG LEU 52 -6.431 6.619 -0.050 401 HD11 LEU 52 1HD1 LEU 52 -8.585 7.521 0.563 402 HD12 LEU 52 2HD1 LEU 52 -7.890 9.129 0.761 403 HD13 LEU 52 3HD1 LEU 52 -7.424 7.827 1.855 404 HD21 LEU 52 3HD2 LEU 52 -6.422 9.002 -1.782 405 HD22 LEU 52 1HD2 LEU 52 -7.968 8.166 -1.634 406 HD23 LEU 52 2HD2 LEU 52 -6.544 7.292 -2.198 407 H LEU 53 H LEU 53 -2.947 6.522 1.395 408 HA LEU 53 HA LEU 53 -4.337 4.076 1.567 409 HB2 LEU 53 1HB LEU 53 -2.075 4.564 0.493 410 HB3 LEU 53 2HB LEU 53 -1.403 4.424 2.116 411 HG LEU 53 HG LEU 53 -2.847 2.245 0.607 412 HD11 LEU 53 1HD1 LEU 53 -0.853 2.102 -0.416 413 HD12 LEU 53 2HD1 LEU 53 -0.349 1.330 1.087 414 HD13 LEU 53 3HD1 LEU 53 -0.028 3.044 0.826 415 HD21 LEU 53 3HD2 LEU 53 -1.968 2.538 3.411 416 HD22 LEU 53 1HD2 LEU 53 -1.599 1.000 2.629 417 HD23 LEU 53 2HD2 LEU 53 -3.268 1.564 2.721 418 H LEU 54 H LEU 54 -2.220 5.725 3.905 419 HA LEU 54 HA LEU 54 -2.462 3.824 5.957 420 HB2 LEU 54 1HB LEU 54 -1.715 6.714 5.858 421 HB3 LEU 54 2HB LEU 54 -1.938 5.924 7.417 422 HG LEU 54 HG LEU 54 -0.054 4.810 5.364 423 HD11 LEU 54 1HD1 LEU 54 0.208 7.298 6.818 424 HD12 LEU 54 2HD1 LEU 54 1.224 6.619 5.547 425 HD13 LEU 54 3HD1 LEU 54 1.488 6.156 7.228 426 HD21 LEU 54 3HD2 LEU 54 -0.930 3.700 7.611 427 HD22 LEU 54 1HD2 LEU 54 0.364 4.684 8.298 428 HD23 LEU 54 2HD2 LEU 54 0.730 3.495 7.047 429 H THR 55 H THR 55 -4.279 6.808 5.325 430 HA THR 55 HA THR 55 -5.910 6.816 7.569 431 HB THR 55 HB THR 55 -7.463 8.189 6.324 432 HG1 THR 55 1HG THR 55 -6.022 7.398 3.993 433 HG21 THR 55 3HG2 THR 55 -4.542 8.611 5.918 434 HG22 THR 55 1HG2 THR 55 -5.697 9.556 6.856 435 HG23 THR 55 2HG2 THR 55 -5.669 9.692 5.098 436 H LEU 56 H LEU 56 -6.325 5.109 4.498 437 HA LEU 56 HA LEU 56 -8.900 4.156 4.805 438 HB2 LEU 56 1HB LEU 56 -6.479 2.917 3.526 439 HB3 LEU 56 2HB LEU 56 -8.075 2.173 3.450 440 HG LEU 56 HG LEU 56 -7.664 4.979 2.485 441 HD11 LEU 56 1HD1 LEU 56 -7.587 2.993 0.381 442 HD12 LEU 56 2HD1 LEU 56 -6.208 2.854 1.470 443 HD13 LEU 56 3HD1 LEU 56 -6.541 4.385 0.661 444 HD21 LEU 56 3HD2 LEU 56 -9.716 2.863 2.296 445 HD22 LEU 56 1HD2 LEU 56 -9.447 3.828 0.844 446 HD23 LEU 56 2HD2 LEU 56 -9.892 4.618 2.358 447 H THR 57 H THR 57 -9.688 2.046 5.442 448 HA THR 57 HA THR 57 -8.135 0.891 7.667 449 HB THR 57 HB THR 57 -10.260 0.305 8.747 450 HG1 THR 57 1HG THR 57 -11.376 1.653 6.501 451 HG21 THR 57 3HG2 THR 57 -9.334 2.355 9.489 452 HG22 THR 57 1HG2 THR 57 -11.046 2.672 9.215 453 HG23 THR 57 2HG2 THR 57 -9.850 3.201 8.031 454 H GLU 58 H GLU 58 -8.852 -1.400 8.192 455 HA GLU 58 HA GLU 58 -8.396 -3.051 5.970 456 HB2 GLU 58 1HB GLU 58 -8.050 -3.526 8.489 457 HB3 GLU 58 2HB GLU 58 -9.736 -4.024 8.478 458 HG2 GLU 58 1HG GLU 58 -9.302 -5.781 6.954 459 HG3 GLU 58 2HG GLU 58 -7.680 -5.179 6.619 460 H GLU 59 H GLU 59 -11.298 -1.711 7.264 461 HA GLU 59 HA GLU 59 -13.052 -3.606 5.967 462 HB2 GLU 59 1HB GLU 59 -14.140 -2.834 7.817 463 HB3 GLU 59 2HB GLU 59 -13.371 -1.255 7.743 464 HG2 GLU 59 1HG GLU 59 -15.676 -0.932 7.331 465 HG3 GLU 59 2HG GLU 59 -14.841 -0.724 5.793 466 H GLU 60 H GLU 60 -12.410 -0.115 5.611 467 HA GLU 60 HA GLU 60 -13.943 0.455 3.426 468 HB2 GLU 60 1HB GLU 60 -11.241 1.469 4.263 469 HB3 GLU 60 2HB GLU 60 -12.012 2.068 2.801 470 HG2 GLU 60 1HG GLU 60 -13.388 2.115 5.465 471 HG3 GLU 60 2HG GLU 60 -12.332 3.418 4.923 472 H PHE 61 H PHE 61 -10.682 -0.943 3.408 473 HA PHE 61 HA PHE 61 -10.276 -1.021 0.657 474 HB2 PHE 61 1HB PHE 61 -9.275 -2.752 2.907 475 HB3 PHE 61 2HB PHE 61 -8.810 -3.066 1.238 476 HD1 PHE 61 1HD PHE 61 -8.249 -0.594 0.038 477 HD2 PHE 61 2HD PHE 61 -7.591 -1.749 4.081 478 HE1 PHE 61 1HE PHE 61 -6.457 1.082 0.221 479 HE2 PHE 61 2HE PHE 61 -5.798 -0.074 4.271 480 HZ PHE 61 HZ PHE 61 -5.230 1.344 2.340 481 H SER 62 H SER 62 -12.211 -3.059 2.713 482 HA SER 62 HA SER 62 -12.682 -4.962 0.546 483 HB2 SER 62 1HB SER 62 -12.342 -6.084 2.594 484 HB3 SER 62 2HB SER 62 -13.359 -4.949 3.482 485 HG SER 62 HG SER 62 -15.159 -5.806 2.381 486 H ARG 63 H ARG 63 -13.797 -2.044 1.167 487 HA ARG 63 HA ARG 63 -16.638 -2.660 0.785 488 HB2 ARG 63 1HB ARG 63 -15.209 -0.103 1.520 489 HB3 ARG 63 2HB ARG 63 -16.932 -0.187 1.178 490 HG2 ARG 63 1HG ARG 63 -15.515 -1.686 3.372 491 HG3 ARG 63 2HG ARG 63 -16.463 -0.212 3.577 492 HD2 ARG 63 1HD ARG 63 -18.289 -1.689 2.326 493 HD3 ARG 63 2HD ARG 63 -17.350 -2.994 3.053 494 HE ARG 63 HE ARG 63 -17.770 -1.309 5.125 495 HH11 ARG 63 2HH1 ARG 63 -19.878 -2.790 2.784 496 HH12 ARG 63 1HH1 ARG 63 -21.238 -2.852 3.855 497 HH21 ARG 63 1HH2 ARG 63 -21.053 -2.052 5.994 498 HH22 ARG 63 2HH2 ARG 63 -19.553 -1.386 6.545 499 H ALA 64 H ALA 64 -14.719 0.088 -0.375 500 HA ALA 64 HA ALA 64 -14.665 -0.617 -3.088 501 HB1 ALA 64 3HB ALA 64 -17.229 0.169 -2.239 502 HB2 ALA 64 1HB ALA 64 -16.578 1.507 -3.185 503 HB3 ALA 64 2HB ALA 64 -16.670 -0.108 -3.888 504 HA PRO 65 HA PRO 65 -14.831 0.626 -5.094 505 HB2 PRO 65 2HB PRO 65 -13.866 2.164 -6.501 506 HB3 PRO 65 1HB PRO 65 -12.637 0.905 -6.667 507 HG2 PRO 65 1HG PRO 65 -11.205 1.925 -5.151 508 HG3 PRO 65 2HG PRO 65 -11.975 3.357 -5.860 509 HD2 PRO 65 1HD PRO 65 -11.975 2.871 -3.196 510 HD3 PRO 65 2HD PRO 65 -13.311 3.708 -4.014 511 H TYR 66 H TYR 66 -11.536 0.307 -3.802 512 HA TYR 66 HA TYR 66 -10.605 -1.994 -4.777 513 HB2 TYR 66 1HB TYR 66 -10.651 -1.761 -1.789 514 HB3 TYR 66 2HB TYR 66 -9.340 -2.279 -2.843 515 HD1 TYR 66 1HD TYR 66 -8.518 -0.368 -4.527 516 HD2 TYR 66 2HD TYR 66 -10.465 0.315 -0.806 517 HE1 TYR 66 1HE TYR 66 -7.552 1.893 -4.443 518 HE2 TYR 66 2HE TYR 66 -9.505 2.577 -0.712 519 HH TYR 66 HH TYR 66 -8.412 4.164 -1.880 520 H THR 67 H THR 67 -13.152 -1.793 -2.324 521 HA THR 67 HA THR 67 -14.453 -3.440 -1.369 522 HB THR 67 HB THR 67 -15.543 -2.861 -3.559 523 HG1 THR 67 1HG THR 67 -16.210 -4.601 -1.859 524 HG21 THR 67 3HG2 THR 67 -13.876 -3.828 -5.060 525 HG22 THR 67 1HG2 THR 67 -15.463 -4.539 -5.350 526 HG23 THR 67 2HG2 THR 67 -14.245 -5.440 -4.447 527 H ILE 68 H ILE 68 -11.602 -4.187 -1.728 528 HA ILE 68 HA ILE 68 -10.923 -6.590 -2.640 529 HB ILE 68 HB ILE 68 -10.411 -5.625 0.174 530 HG12 ILE 68 1HG1 ILE 68 -8.643 -5.555 -2.279 531 HG13 ILE 68 2HG1 ILE 68 -9.607 -4.194 -1.717 532 HG21 ILE 68 1HG2 ILE 68 -8.421 -7.189 0.014 533 HG22 ILE 68 2HG2 ILE 68 -9.998 -7.943 0.242 534 HG23 ILE 68 3HG2 ILE 68 -9.248 -7.937 -1.353 535 HD11 ILE 68 3HD1 ILE 68 -8.159 -4.984 0.511 536 HD12 ILE 68 1HD1 ILE 68 -7.024 -5.115 -0.833 537 HD13 ILE 68 2HD1 ILE 68 -7.848 -3.587 -0.519 538 H GLU 69 H GLU 69 -12.396 -8.194 -2.894 539 HA GLU 69 HA GLU 69 -14.042 -9.057 -0.667 540 HB2 GLU 69 1HB GLU 69 -13.819 -10.274 -3.423 541 HB3 GLU 69 2HB GLU 69 -15.095 -10.550 -2.247 542 HG2 GLU 69 1HG GLU 69 -15.702 -8.149 -2.429 543 HG3 GLU 69 2HG GLU 69 -14.516 -7.995 -3.723 544 H ASN 70 H ASN 70 -11.096 -9.356 -0.586 545 HA ASN 70 HA ASN 70 -11.059 -12.191 0.119 546 HB2 ASN 70 1HB ASN 70 -10.048 -11.651 -2.244 547 HB3 ASN 70 2HB ASN 70 -8.674 -11.074 -1.307 548 HD21 ASN 70 2HD2 ASN 70 -7.380 -14.222 -0.817 549 HD22 ASN 70 1HD2 ASN 70 -7.176 -12.506 -0.837 550 H SER 71 H SER 71 -10.753 -12.019 2.254 551 HA SER 71 HA SER 71 -9.535 -9.972 3.646 552 HB2 SER 71 1HB SER 71 -9.523 -12.884 4.469 553 HB3 SER 71 2HB SER 71 -9.410 -11.484 5.535 554 HG SER 71 HG SER 71 -11.558 -12.570 5.199 555 H SER 72 H SER 72 -8.056 -13.096 2.766 556 HA SER 72 HA SER 72 -5.572 -12.943 3.713 557 HB2 SER 72 1HB SER 72 -6.573 -13.852 1.047 558 HB3 SER 72 2HB SER 72 -4.832 -13.811 1.325 559 HG SER 72 HG SER 72 -5.176 -15.686 2.214 560 H HIS 73 H HIS 73 -6.537 -11.307 0.699 561 HA HIS 73 HA HIS 73 -4.116 -10.032 0.177 562 HB2 HIS 73 1HB HIS 73 -5.830 -10.088 -1.507 563 HB3 HIS 73 2HB HIS 73 -6.948 -9.202 -0.474 564 HD1 HIS 73 1HD HIS 73 -7.244 -7.261 -2.106 565 HD2 HIS 73 2HD HIS 73 -3.293 -7.906 -0.997 566 HE1 HIS 73 1HE HIS 73 -5.978 -5.251 -2.932 567 HE2 HIS 73 2HE HIS 73 -3.576 -5.704 -2.325 568 H ARG 74 H ARG 74 -6.942 -8.827 1.971 569 HA ARG 74 HA ARG 74 -5.965 -6.297 2.592 570 HB2 ARG 74 1HB ARG 74 -7.955 -8.128 3.871 571 HB3 ARG 74 2HB ARG 74 -7.473 -6.664 4.717 572 HG2 ARG 74 1HG ARG 74 -8.138 -5.354 2.718 573 HG3 ARG 74 2HG ARG 74 -8.743 -6.846 1.995 574 HD2 ARG 74 1HD ARG 74 -9.664 -5.914 4.695 575 HD3 ARG 74 2HD ARG 74 -10.415 -5.329 3.212 576 HE ARG 74 HE ARG 74 -10.531 -7.985 2.881 577 HH11 ARG 74 2HH1 ARG 74 -11.384 -5.939 5.566 578 HH12 ARG 74 1HH1 ARG 74 -12.641 -6.987 6.134 579 HH21 ARG 74 1HH2 ARG 74 -13.095 -8.941 5.026 580 HH22 ARG 74 2HH2 ARG 74 -12.184 -9.373 3.619 581 H ARG 75 H ARG 75 -5.647 -9.339 4.396 582 HA ARG 75 HA ARG 75 -4.332 -8.386 6.641 583 HB2 ARG 75 1HB ARG 75 -5.154 -10.689 6.426 584 HB3 ARG 75 2HB ARG 75 -3.910 -11.026 5.229 585 HG2 ARG 75 1HG ARG 75 -3.047 -10.028 7.887 586 HG3 ARG 75 2HG ARG 75 -3.626 -11.690 7.765 587 HD2 ARG 75 1HD ARG 75 -1.951 -12.263 6.204 588 HD3 ARG 75 2HD ARG 75 -1.534 -10.574 5.918 589 HE ARG 75 HE ARG 75 -0.967 -10.848 8.520 590 HH11 ARG 75 2HH1 ARG 75 -0.161 -12.804 5.756 591 HH12 ARG 75 1HH1 ARG 75 1.334 -13.367 6.426 592 HH21 ARG 75 1HH2 ARG 75 1.993 -12.672 8.507 593 HH22 ARG 75 2HH2 ARG 75 0.999 -11.582 9.414 594 H VAL 76 H VAL 76 -3.023 -9.270 3.482 595 HA VAL 76 HA VAL 76 -0.294 -9.057 4.142 596 HB VAL 76 HB VAL 76 -1.593 -8.564 1.459 597 HG11 VAL 76 1HG1 VAL 76 0.996 -9.724 1.283 598 HG12 VAL 76 2HG1 VAL 76 0.446 -8.159 0.682 599 HG13 VAL 76 3HG1 VAL 76 1.096 -8.299 2.316 600 HG21 VAL 76 3HG2 VAL 76 -1.944 -10.815 2.752 601 HG22 VAL 76 1HG2 VAL 76 -1.544 -10.824 1.035 602 HG23 VAL 76 2HG2 VAL 76 -0.289 -11.134 2.234 603 H ILE 77 H ILE 77 -2.506 -6.705 2.641 604 HA ILE 77 HA ILE 77 -0.653 -4.607 2.430 605 HB ILE 77 HB ILE 77 -3.659 -4.524 2.681 606 HG12 ILE 77 1HG1 ILE 77 -1.808 -4.283 0.299 607 HG13 ILE 77 2HG1 ILE 77 -2.823 -5.670 0.683 608 HG21 ILE 77 1HG2 ILE 77 -3.589 -2.311 2.814 609 HG22 ILE 77 2HG2 ILE 77 -1.836 -2.400 2.976 610 HG23 ILE 77 3HG2 ILE 77 -2.566 -2.226 1.380 611 HD11 ILE 77 3HD1 ILE 77 -4.185 -3.066 0.417 612 HD12 ILE 77 1HD1 ILE 77 -3.529 -3.781 -1.055 613 HD13 ILE 77 2HD1 ILE 77 -4.698 -4.677 -0.084 614 H LEU 78 H LEU 78 -3.352 -4.805 4.757 615 HA LEU 78 HA LEU 78 -2.646 -2.769 6.431 616 HB2 LEU 78 1HB LEU 78 -4.022 -5.375 6.889 617 HB3 LEU 78 2HB LEU 78 -3.642 -4.349 8.271 618 HG LEU 78 HG LEU 78 -5.966 -4.105 7.408 619 HD11 LEU 78 1HD1 LEU 78 -5.466 -2.272 8.643 620 HD12 LEU 78 2HD1 LEU 78 -5.618 -1.486 7.072 621 HD13 LEU 78 3HD1 LEU 78 -4.023 -1.892 7.703 622 HD21 LEU 78 3HD2 LEU 78 -5.651 -4.373 5.060 623 HD22 LEU 78 1HD2 LEU 78 -4.515 -3.026 4.999 624 HD23 LEU 78 2HD2 LEU 78 -6.221 -2.726 5.333 625 H THR 79 H THR 79 -1.803 -6.182 7.049 626 HA THR 79 HA THR 79 -0.135 -5.857 9.194 627 HB THR 79 HB THR 79 0.164 -7.814 6.910 628 HG1 THR 79 1HG THR 79 -1.701 -8.282 7.942 629 HG21 THR 79 3HG2 THR 79 1.371 -8.008 9.669 630 HG22 THR 79 1HG2 THR 79 2.265 -7.495 8.238 631 HG23 THR 79 2HG2 THR 79 1.593 -9.123 8.322 632 H GLU 80 H GLU 80 1.065 -6.170 5.844 633 HA GLU 80 HA GLU 80 3.692 -5.483 6.304 634 HB2 GLU 80 1HB GLU 80 1.937 -5.037 3.896 635 HB3 GLU 80 2HB GLU 80 3.649 -4.638 3.892 636 HG2 GLU 80 1HG GLU 80 2.841 -7.365 4.744 637 HG3 GLU 80 2HG GLU 80 2.768 -6.961 3.030 638 H LEU 81 H LEU 81 0.907 -3.381 5.912 639 HA LEU 81 HA LEU 81 2.336 -0.950 5.666 640 HB2 LEU 81 1HB LEU 81 -0.150 -1.497 5.183 641 HB3 LEU 81 2HB LEU 81 -0.388 -1.140 6.893 642 HG LEU 81 HG LEU 81 0.788 1.109 6.313 643 HD11 LEU 81 1HD1 LEU 81 0.159 -0.041 3.641 644 HD12 LEU 81 2HD1 LEU 81 1.525 0.950 4.154 645 HD13 LEU 81 3HD1 LEU 81 -0.054 1.692 3.894 646 HD21 LEU 81 3HD2 LEU 81 -1.916 0.217 6.333 647 HD22 LEU 81 1HD2 LEU 81 -1.741 1.463 5.097 648 HD23 LEU 81 2HD2 LEU 81 -1.270 1.801 6.763 649 H GLU 82 H GLU 82 1.108 -2.765 8.422 650 HA GLU 82 HA GLU 82 1.478 -0.821 10.404 651 HB2 GLU 82 1HB GLU 82 0.221 -2.922 10.739 652 HB3 GLU 82 2HB GLU 82 1.730 -3.823 10.669 653 HG2 GLU 82 1HG GLU 82 1.229 -3.620 12.945 654 HG3 GLU 82 2HG GLU 82 2.494 -2.431 12.639 655 H ARG 83 H ARG 83 3.739 -2.812 8.707 656 HA ARG 83 HA ARG 83 5.870 -2.453 10.624 657 HB2 ARG 83 1HB ARG 83 6.117 -3.448 7.786 658 HB3 ARG 83 2HB ARG 83 7.224 -3.727 9.123 659 HG2 ARG 83 1HG ARG 83 5.111 -4.857 10.205 660 HG3 ARG 83 2HG ARG 83 4.614 -5.010 8.519 661 HD2 ARG 83 1HD ARG 83 7.366 -5.835 9.335 662 HD3 ARG 83 2HD ARG 83 6.002 -6.905 9.660 663 HE ARG 83 HE ARG 83 5.686 -6.315 7.049 664 HH11 ARG 83 2HH1 ARG 83 8.401 -7.451 8.908 665 HH12 ARG 83 1HH1 ARG 83 9.104 -8.329 7.590 666 HH21 ARG 83 1HH2 ARG 83 8.079 -8.336 5.541 667 HH22 ARG 83 2HH2 ARG 83 6.601 -7.466 5.305 668 H VAL 84 H VAL 84 5.584 -1.581 7.174 669 HA VAL 84 HA VAL 84 7.690 0.124 6.932 670 HB VAL 84 HB VAL 84 6.303 1.402 5.247 671 HG11 VAL 84 1HG1 VAL 84 7.181 -1.332 5.232 672 HG12 VAL 84 2HG1 VAL 84 5.779 -1.136 4.178 673 HG13 VAL 84 3HG1 VAL 84 7.215 -0.140 3.933 674 HG21 VAL 84 3HG2 VAL 84 4.115 0.305 4.666 675 HG22 VAL 84 1HG2 VAL 84 4.212 -0.538 6.212 676 HG23 VAL 84 2HG2 VAL 84 4.119 1.223 6.172 677 H ARG 85 H ARG 85 4.471 0.942 8.176 678 HA ARG 85 HA ARG 85 5.073 3.694 8.604 679 HB2 ARG 85 1HB ARG 85 2.925 3.890 9.440 680 HB3 ARG 85 2HB ARG 85 2.766 2.488 8.389 681 HG2 ARG 85 1HG ARG 85 2.873 0.996 10.260 682 HG3 ARG 85 2HG ARG 85 3.246 2.329 11.355 683 HD2 ARG 85 1HD ARG 85 0.755 2.487 9.740 684 HD3 ARG 85 2HD ARG 85 0.792 1.372 11.106 685 HE ARG 85 HE ARG 85 1.738 3.923 11.883 686 HH11 ARG 85 2HH1 ARG 85 -1.184 2.208 11.085 687 HH12 ARG 85 1HH1 ARG 85 -2.198 3.219 12.060 688 HH21 ARG 85 1HH2 ARG 85 -1.289 4.955 13.246 689 HH22 ARG 85 2HH2 ARG 85 0.414 5.261 13.171 690 H SER 86 H SER 86 5.019 0.828 10.684 691 HA SER 86 HA SER 86 5.748 2.294 13.041 692 HB2 SER 86 1HB SER 86 4.428 0.198 13.142 693 HB3 SER 86 2HB SER 86 5.826 -0.691 12.540 694 HG SER 86 HG SER 86 5.608 0.731 14.984 695 H GLY 87 H GLY 87 7.728 2.053 14.220 696 HA2 GLY 87 1HA GLY 87 10.023 0.956 12.802 697 HA3 GLY 87 2HA GLY 87 10.032 2.697 13.046 698 HA PRO 88 HA PRO 88 12.016 1.975 16.902 699 HB2 PRO 88 2HB PRO 88 12.668 4.176 16.806 700 HB3 PRO 88 1HB PRO 88 11.480 4.350 18.104 701 HG2 PRO 88 1HG PRO 88 9.839 5.145 16.667 702 HG3 PRO 88 2HG PRO 88 11.285 5.798 15.876 703 HD2 PRO 88 1HD PRO 88 9.499 4.228 14.581 704 HD3 PRO 88 2HD PRO 88 11.232 4.220 14.197 705 H SER 89 H SER 89 11.454 1.020 18.768 706 HA SER 89 HA SER 89 8.635 1.156 19.581 707 HB2 SER 89 1HB SER 89 8.906 -0.985 20.582 708 HB3 SER 89 2HB SER 89 9.730 -1.079 19.026 709 HG SER 89 HG SER 89 10.769 -1.125 21.599 710 H SER 90 H SER 90 8.038 1.921 21.526 711 HA SER 90 HA SER 90 10.022 2.304 23.624 712 HB2 SER 90 1HB SER 90 10.263 4.406 22.556 713 HB3 SER 90 2HB SER 90 8.527 4.556 22.282 714 HG SER 90 HG SER 90 9.877 4.664 24.777 715 H GLY 91 H GLY 91 9.174 2.260 25.667 716 HA2 GLY 91 1HA GLY 91 7.588 2.105 27.339 717 HA3 GLY 91 2HA GLY 91 6.378 2.641 26.182 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.739 13.013 -18.621 2 HA2 GLY 1 1HA GLY 1 9.932 15.426 -17.741 3 HA3 GLY 1 2HA GLY 1 9.343 14.363 -16.472 4 H SER 2 H SER 2 11.210 12.621 -15.944 5 HA SER 2 HA SER 2 13.785 13.995 -15.741 6 HB2 SER 2 1HB SER 2 12.343 12.837 -13.343 7 HB3 SER 2 2HB SER 2 13.948 13.567 -13.339 8 HG SER 2 HG SER 2 12.814 15.290 -12.856 9 H SER 3 H SER 3 15.531 12.557 -15.021 10 HA SER 3 HA SER 3 15.145 9.888 -16.129 11 HB2 SER 3 1HB SER 3 17.086 11.430 -16.763 12 HB3 SER 3 2HB SER 3 17.752 11.068 -15.171 13 HG SER 3 HG SER 3 17.599 9.491 -17.427 14 H GLY 4 H GLY 4 15.743 7.980 -15.037 15 HA2 GLY 4 1HA GLY 4 16.746 7.036 -12.962 16 HA3 GLY 4 2HA GLY 4 15.841 8.269 -12.097 17 H SER 5 H SER 5 13.584 8.060 -11.885 18 HA SER 5 HA SER 5 11.821 6.739 -11.213 19 HB2 SER 5 1HB SER 5 12.080 5.975 -14.132 20 HB3 SER 5 2HB SER 5 10.636 5.749 -13.144 21 HG SER 5 HG SER 5 10.151 7.753 -13.496 22 H SER 6 H SER 6 13.963 5.505 -10.238 23 HA SER 6 HA SER 6 13.581 2.666 -10.933 24 HB2 SER 6 1HB SER 6 15.848 2.223 -10.429 25 HB3 SER 6 2HB SER 6 15.883 3.720 -11.360 26 HG SER 6 HG SER 6 16.244 4.863 -9.514 27 H GLY 7 H GLY 7 12.822 1.365 -9.388 28 HA2 GLY 7 1HA GLY 7 11.958 2.397 -6.897 29 HA3 GLY 7 2HA GLY 7 11.960 0.703 -7.364 30 H GLU 8 H GLU 8 12.887 2.488 -4.952 31 HA GLU 8 HA GLU 8 15.533 1.233 -4.649 32 HB2 GLU 8 1HB GLU 8 15.245 3.798 -4.530 33 HB3 GLU 8 2HB GLU 8 14.519 3.501 -2.957 34 HG2 GLU 8 1HG GLU 8 16.623 2.268 -2.342 35 HG3 GLU 8 2HG GLU 8 17.324 2.888 -3.835 36 H HIS 9 H HIS 9 13.305 -0.346 -4.227 37 HA HIS 9 HA HIS 9 12.031 -0.583 -1.898 38 HB2 HIS 9 1HB HIS 9 11.706 -2.407 -3.283 39 HB3 HIS 9 2HB HIS 9 13.430 -2.641 -3.555 40 HD1 HIS 9 1HD HIS 9 11.273 -2.749 -0.411 41 HD2 HIS 9 2HD HIS 9 14.133 -4.985 -2.432 42 HE1 HIS 9 1HE HIS 9 11.660 -4.788 1.010 43 HE2 HIS 9 2HE HIS 9 13.456 -6.083 -0.190 44 H GLY 10 H GLY 10 12.776 0.104 0.024 45 HA2 GLY 10 1HA GLY 10 14.237 -1.340 1.761 46 HA3 GLY 10 2HA GLY 10 15.485 -0.481 0.872 47 H LEU 11 H LEU 11 14.697 1.990 0.565 48 HA LEU 11 HA LEU 11 14.780 3.070 3.209 49 HB2 LEU 11 1HB LEU 11 15.135 5.136 2.213 50 HB3 LEU 11 2HB LEU 11 15.857 3.995 1.080 51 HG LEU 11 HG LEU 11 14.741 5.569 -0.252 52 HD11 LEU 11 1HD1 LEU 11 12.940 4.305 -1.308 53 HD12 LEU 11 2HD1 LEU 11 12.869 3.230 0.088 54 HD13 LEU 11 3HD1 LEU 11 14.312 3.265 -0.925 55 HD21 LEU 11 3HD2 LEU 11 13.280 6.196 1.906 56 HD22 LEU 11 1HD2 LEU 11 12.081 5.275 0.999 57 HD23 LEU 11 2HD2 LEU 11 12.844 6.687 0.268 58 H LEU 12 H LEU 12 12.277 1.798 1.583 59 HA LEU 12 HA LEU 12 10.230 3.723 1.831 60 HB2 LEU 12 1HB LEU 12 10.368 0.788 1.436 61 HB3 LEU 12 2HB LEU 12 8.837 1.456 1.998 62 HG LEU 12 HG LEU 12 9.234 3.081 -0.072 63 HD11 LEU 12 1HD1 LEU 12 11.069 0.817 -0.489 64 HD12 LEU 12 2HD1 LEU 12 11.106 2.451 -1.150 65 HD13 LEU 12 3HD1 LEU 12 10.043 1.237 -1.860 66 HD21 LEU 12 3HD2 LEU 12 7.905 0.470 0.259 67 HD22 LEU 12 1HD2 LEU 12 8.094 1.038 -1.400 68 HD23 LEU 12 2HD2 LEU 12 7.241 2.033 -0.220 69 H VAL 13 H VAL 13 10.847 0.845 3.854 70 HA VAL 13 HA VAL 13 9.046 1.242 5.854 71 HB VAL 13 HB VAL 13 10.651 0.140 7.404 72 HG11 VAL 13 1HG1 VAL 13 10.324 -1.036 4.650 73 HG12 VAL 13 2HG1 VAL 13 10.890 -1.949 6.050 74 HG13 VAL 13 3HG1 VAL 13 9.268 -1.255 6.045 75 HG21 VAL 13 3HG2 VAL 13 12.540 0.329 5.058 76 HG22 VAL 13 1HG2 VAL 13 12.704 1.176 6.596 77 HG23 VAL 13 2HG2 VAL 13 12.828 -0.582 6.541 78 H HIS 14 H HIS 14 12.079 2.945 5.375 79 HA HIS 14 HA HIS 14 12.042 4.286 7.899 80 HB2 HIS 14 1HB HIS 14 13.550 4.907 5.351 81 HB3 HIS 14 2HB HIS 14 13.828 5.697 6.900 82 HD1 HIS 14 1HD HIS 14 15.453 3.388 4.956 83 HD2 HIS 14 2HD HIS 14 14.184 3.272 8.910 84 HE1 HIS 14 1HE HIS 14 16.867 1.628 6.064 85 HE2 HIS 14 2HE HIS 14 16.023 1.516 8.435 86 H LYS 15 H LYS 15 11.727 5.630 4.608 87 HA LYS 15 HA LYS 15 10.671 8.092 5.411 88 HB2 LYS 15 1HB LYS 15 11.578 7.881 3.212 89 HB3 LYS 15 2HB LYS 15 10.465 6.580 2.808 90 HG2 LYS 15 1HG LYS 15 8.653 8.424 3.285 91 HG3 LYS 15 2HG LYS 15 9.996 9.513 2.930 92 HD2 LYS 15 1HD LYS 15 10.323 8.015 0.835 93 HD3 LYS 15 2HD LYS 15 8.662 7.506 1.152 94 HE2 LYS 15 1HE LYS 15 7.801 9.608 0.732 95 HE3 LYS 15 2HE LYS 15 9.329 10.417 1.077 96 HZ1 LYS 15 3HZ LYS 15 9.405 8.609 -1.175 97 HZ2 LYS 15 1HZ LYS 15 10.017 10.179 -1.024 98 HZ3 LYS 15 2HZ LYS 15 8.383 9.940 -1.387 99 H ALA 16 H ALA 16 8.890 8.295 6.611 100 HA ALA 16 HA ALA 16 6.843 6.664 7.126 101 HB1 ALA 16 3HB ALA 16 5.974 9.427 6.513 102 HB2 ALA 16 1HB ALA 16 5.718 8.449 7.958 103 HB3 ALA 16 2HB ALA 16 7.275 9.234 7.687 104 H VAL 17 H VAL 17 5.024 5.866 6.197 105 HA VAL 17 HA VAL 17 4.851 5.684 3.404 106 HB VAL 17 HB VAL 17 2.719 5.153 5.478 107 HG11 VAL 17 1HG1 VAL 17 1.325 4.943 3.754 108 HG12 VAL 17 2HG1 VAL 17 2.635 5.106 2.583 109 HG13 VAL 17 3HG1 VAL 17 2.263 3.528 3.278 110 HG21 VAL 17 3HG2 VAL 17 3.526 3.026 5.686 111 HG22 VAL 17 1HG2 VAL 17 4.209 3.008 4.060 112 HG23 VAL 17 2HG2 VAL 17 5.034 3.877 5.354 113 H ASP 18 H ASP 18 3.431 7.923 5.676 114 HA ASP 18 HA ASP 18 1.429 8.989 3.994 115 HB2 ASP 18 1HB ASP 18 1.112 9.563 6.214 116 HB3 ASP 18 2HB ASP 18 2.819 9.912 6.476 117 H LYS 19 H LYS 19 4.700 9.023 3.597 118 HA LYS 19 HA LYS 19 4.696 11.625 2.222 119 HB2 LYS 19 1HB LYS 19 6.776 10.056 3.638 120 HB3 LYS 19 2HB LYS 19 7.297 10.928 2.202 121 HG2 LYS 19 1HG LYS 19 7.685 12.330 4.077 122 HG3 LYS 19 2HG LYS 19 6.309 12.995 3.194 123 HD2 LYS 19 1HD LYS 19 4.801 12.398 4.827 124 HD3 LYS 19 2HD LYS 19 5.808 11.076 5.422 125 HE2 LYS 19 1HE LYS 19 5.971 12.676 7.103 126 HE3 LYS 19 2HE LYS 19 7.434 12.933 6.154 127 HZ1 LYS 19 3HZ LYS 19 6.588 15.054 6.481 128 HZ2 LYS 19 1HZ LYS 19 4.984 14.576 6.240 129 HZ3 LYS 19 2HZ LYS 19 6.045 14.668 4.926 130 H TRP 20 H TRP 20 4.325 8.399 1.622 131 HA TRP 20 HA TRP 20 5.903 8.052 -0.711 132 HB2 TRP 20 1HB TRP 20 3.395 6.625 0.198 133 HB3 TRP 20 2HB TRP 20 4.413 6.105 -1.142 134 HD1 TRP 20 HD TRP 20 6.602 7.364 1.528 135 HE1 TRP 20 1HE TRP 20 7.585 5.421 2.899 136 HE3 TRP 20 3HE TRP 20 3.567 3.593 -0.118 137 HZ2 TRP 20 2HZ TRP 20 7.135 2.655 3.237 138 HZ3 TRP 20 3HZ TRP 20 3.910 1.327 0.779 139 HH2 TRP 20 HH TRP 20 5.657 0.870 2.421 140 H THR 21 H THR 21 4.926 7.639 -2.893 141 HA THR 21 HA THR 21 2.813 9.616 -3.462 142 HB THR 21 HB THR 21 3.924 9.790 -5.757 143 HG1 THR 21 1HG THR 21 5.390 7.879 -4.924 144 HG21 THR 21 3HG2 THR 21 5.385 11.530 -5.046 145 HG22 THR 21 1HG2 THR 21 5.604 10.789 -3.461 146 HG23 THR 21 2HG2 THR 21 4.047 11.494 -3.898 147 H THR 22 H THR 22 1.477 9.175 -5.326 148 HA THR 22 HA THR 22 0.177 6.833 -5.401 149 HB THR 22 HB THR 22 0.750 8.160 -8.034 150 HG1 THR 22 1HG THR 22 0.325 9.940 -6.858 151 HG21 THR 22 3HG2 THR 22 -1.562 7.643 -8.488 152 HG22 THR 22 1HG2 THR 22 -1.807 7.100 -6.829 153 HG23 THR 22 2HG2 THR 22 -0.756 6.185 -7.911 154 H GLU 23 H GLU 23 3.318 7.422 -6.770 155 HA GLU 23 HA GLU 23 3.380 5.009 -8.334 156 HB2 GLU 23 1HB GLU 23 4.747 7.266 -8.580 157 HB3 GLU 23 2HB GLU 23 5.876 6.430 -7.523 158 HG2 GLU 23 1HG GLU 23 6.306 4.767 -9.091 159 HG3 GLU 23 2HG GLU 23 4.852 5.134 -10.018 160 H GLU 24 H GLU 24 5.298 6.085 -5.520 161 HA GLU 24 HA GLU 24 6.470 3.653 -4.920 162 HB2 GLU 24 1HB GLU 24 5.655 5.904 -3.079 163 HB3 GLU 24 2HB GLU 24 6.652 4.547 -2.575 164 HG2 GLU 24 1HG GLU 24 7.312 6.829 -4.357 165 HG3 GLU 24 2HG GLU 24 8.251 6.103 -3.054 166 H VAL 25 H VAL 25 3.390 4.971 -3.748 167 HA VAL 25 HA VAL 25 2.634 3.114 -1.903 168 HB VAL 25 HB VAL 25 0.853 4.323 -4.023 169 HG11 VAL 25 1HG1 VAL 25 -0.977 3.545 -2.938 170 HG12 VAL 25 2HG1 VAL 25 0.142 2.266 -2.465 171 HG13 VAL 25 3HG1 VAL 25 -0.198 3.595 -1.357 172 HG21 VAL 25 3HG2 VAL 25 2.284 5.532 -1.929 173 HG22 VAL 25 1HG2 VAL 25 1.026 6.251 -2.934 174 HG23 VAL 25 2HG2 VAL 25 0.600 5.474 -1.409 175 H VAL 26 H VAL 26 2.155 2.846 -5.420 176 HA VAL 26 HA VAL 26 1.014 0.246 -5.310 177 HB VAL 26 HB VAL 26 2.280 1.768 -7.588 178 HG11 VAL 26 1HG1 VAL 26 2.525 -0.522 -8.156 179 HG12 VAL 26 2HG1 VAL 26 0.906 -0.911 -7.572 180 HG13 VAL 26 3HG1 VAL 26 1.110 0.065 -9.028 181 HG21 VAL 26 3HG2 VAL 26 -0.071 2.246 -6.334 182 HG22 VAL 26 1HG2 VAL 26 0.238 2.608 -8.032 183 HG23 VAL 26 2HG2 VAL 26 -0.589 1.116 -7.586 184 H LEU 27 H LEU 27 4.291 1.460 -5.766 185 HA LEU 27 HA LEU 27 5.530 -0.914 -6.561 186 HB2 LEU 27 1HB LEU 27 6.411 1.610 -5.281 187 HB3 LEU 27 2HB LEU 27 7.514 0.238 -5.202 188 HG LEU 27 HG LEU 27 6.458 1.573 -7.693 189 HD11 LEU 27 1HD1 LEU 27 9.185 1.576 -7.795 190 HD12 LEU 27 2HD1 LEU 27 8.880 1.834 -6.078 191 HD13 LEU 27 3HD1 LEU 27 8.184 2.931 -7.271 192 HD21 LEU 27 3HD2 LEU 27 7.862 -1.014 -7.253 193 HD22 LEU 27 1HD2 LEU 27 8.293 -0.048 -8.665 194 HD23 LEU 27 2HD2 LEU 27 6.627 -0.583 -8.438 195 H TRP 28 H TRP 28 5.100 0.434 -3.298 196 HA TRP 28 HA TRP 28 6.386 -1.598 -1.883 197 HB2 TRP 28 1HB TRP 28 5.907 0.318 -0.633 198 HB3 TRP 28 2HB TRP 28 4.231 0.368 -1.173 199 HD1 TRP 28 HD TRP 28 6.512 -1.521 1.287 200 HE1 TRP 28 1HE TRP 28 5.036 -2.559 3.123 201 HE3 TRP 28 3HE TRP 28 1.911 -0.392 -0.635 202 HZ2 TRP 28 2HZ TRP 28 2.285 -2.859 3.682 203 HZ3 TRP 28 3HZ TRP 28 -0.092 -1.090 0.611 204 HH2 TRP 28 HH TRP 28 0.093 -2.299 2.725 205 H LEU 29 H LEU 29 3.045 -1.335 -2.995 206 HA LEU 29 HA LEU 29 2.203 -3.757 -1.711 207 HB2 LEU 29 1HB LEU 29 0.524 -2.149 -2.069 208 HB3 LEU 29 2HB LEU 29 0.973 -1.940 -3.760 209 HG LEU 29 HG LEU 29 0.202 -4.430 -3.972 210 HD11 LEU 29 1HD1 LEU 29 -0.086 -4.692 -1.513 211 HD12 LEU 29 2HD1 LEU 29 -1.526 -5.084 -2.453 212 HD13 LEU 29 3HD1 LEU 29 -1.425 -3.546 -1.595 213 HD21 LEU 29 3HD2 LEU 29 -1.893 -3.686 -4.725 214 HD22 LEU 29 1HD2 LEU 29 -0.818 -2.302 -4.932 215 HD23 LEU 29 2HD2 LEU 29 -1.934 -2.356 -3.567 216 H GLU 30 H GLU 30 3.578 -2.900 -4.786 217 HA GLU 30 HA GLU 30 2.871 -5.343 -6.110 218 HB2 GLU 30 1HB GLU 30 4.618 -3.002 -6.747 219 HB3 GLU 30 2HB GLU 30 4.806 -4.482 -7.677 220 HG2 GLU 30 1HG GLU 30 2.187 -4.266 -7.894 221 HG3 GLU 30 2HG GLU 30 2.543 -2.566 -7.594 222 H GLN 31 H GLN 31 4.710 -4.981 -3.538 223 HA GLN 31 HA GLN 31 6.822 -6.822 -4.436 224 HB2 GLN 31 1HB GLN 31 6.700 -4.782 -2.242 225 HB3 GLN 31 2HB GLN 31 7.825 -6.129 -2.130 226 HG2 GLN 31 1HG GLN 31 8.883 -5.466 -4.197 227 HG3 GLN 31 2HG GLN 31 7.708 -4.168 -4.409 228 HE21 GLN 31 2HE2 GLN 31 9.202 -1.994 -2.095 229 HE22 GLN 31 1HE2 GLN 31 7.747 -2.405 -2.932 230 H LEU 32 H LEU 32 4.183 -6.377 -2.207 231 HA LEU 32 HA LEU 32 4.715 -8.482 -0.431 232 HB2 LEU 32 1HB LEU 32 1.941 -7.705 -1.253 233 HB3 LEU 32 2HB LEU 32 2.517 -8.244 0.323 234 HG LEU 32 HG LEU 32 2.851 -5.540 -0.952 235 HD11 LEU 32 1HD1 LEU 32 1.481 -6.596 1.501 236 HD12 LEU 32 2HD1 LEU 32 0.791 -5.682 0.160 237 HD13 LEU 32 3HD1 LEU 32 1.874 -4.888 1.304 238 HD21 LEU 32 3HD2 LEU 32 3.944 -5.535 1.639 239 HD22 LEU 32 1HD2 LEU 32 4.780 -5.271 0.108 240 HD23 LEU 32 2HD2 LEU 32 4.676 -6.896 0.787 241 H GLY 33 H GLY 33 3.454 -8.451 -3.667 242 HA2 GLY 33 1HA GLY 33 3.868 -11.174 -4.108 243 HA3 GLY 33 2HA GLY 33 2.181 -10.975 -3.659 244 HA PRO 34 HA PRO 34 2.999 -10.098 -8.263 245 HB2 PRO 34 2HB PRO 34 3.649 -12.217 -8.867 246 HB3 PRO 34 1HB PRO 34 1.939 -12.379 -9.286 247 HG2 PRO 34 1HG PRO 34 1.429 -13.484 -7.309 248 HG3 PRO 34 2HG PRO 34 3.086 -14.061 -7.567 249 HD2 PRO 34 1HD PRO 34 2.312 -12.828 -5.284 250 HD3 PRO 34 2HD PRO 34 3.955 -12.679 -5.940 251 H TRP 35 H TRP 35 0.366 -11.330 -6.337 252 HA TRP 35 HA TRP 35 -1.722 -10.795 -8.188 253 HB2 TRP 35 1HB TRP 35 -3.169 -10.890 -6.085 254 HB3 TRP 35 2HB TRP 35 -2.228 -12.330 -6.462 255 HD1 TRP 35 HD TRP 35 -0.807 -13.267 -4.543 256 HE1 TRP 35 1HE TRP 35 -0.020 -12.404 -2.250 257 HE3 TRP 35 3HE TRP 35 -2.477 -8.447 -4.875 258 HZ2 TRP 35 2HZ TRP 35 -0.098 -9.998 -0.776 259 HZ3 TRP 35 3HZ TRP 35 -2.081 -6.929 -2.979 260 HH2 TRP 35 HH TRP 35 -0.917 -7.690 -0.973 261 H ALA 36 H ALA 36 0.224 -8.783 -6.275 262 HA ALA 36 HA ALA 36 -1.490 -6.710 -5.558 263 HB1 ALA 36 3HB ALA 36 1.428 -6.731 -6.273 264 HB2 ALA 36 1HB ALA 36 0.594 -5.269 -5.746 265 HB3 ALA 36 2HB ALA 36 0.689 -6.667 -4.673 266 H SER 37 H SER 37 0.181 -7.327 -8.611 267 HA SER 37 HA SER 37 -0.412 -4.913 -9.895 268 HB2 SER 37 1HB SER 37 1.163 -6.191 -11.029 269 HB3 SER 37 2HB SER 37 0.237 -7.681 -10.847 270 HG SER 37 HG SER 37 -0.910 -5.627 -12.341 271 H LEU 38 H LEU 38 -2.472 -7.418 -8.929 272 HA LEU 38 HA LEU 38 -4.473 -6.998 -10.972 273 HB2 LEU 38 1HB LEU 38 -4.622 -8.535 -8.383 274 HB3 LEU 38 2HB LEU 38 -5.817 -8.575 -9.678 275 HG LEU 38 HG LEU 38 -2.967 -9.488 -10.028 276 HD11 LEU 38 1HD1 LEU 38 -4.003 -11.790 -9.916 277 HD12 LEU 38 2HD1 LEU 38 -5.411 -11.022 -9.183 278 HD13 LEU 38 3HD1 LEU 38 -3.842 -10.935 -8.382 279 HD21 LEU 38 3HD2 LEU 38 -3.754 -9.173 -12.152 280 HD22 LEU 38 1HD2 LEU 38 -5.432 -9.470 -11.695 281 HD23 LEU 38 2HD2 LEU 38 -4.311 -10.822 -11.862 282 H TYR 39 H TYR 39 -3.552 -5.439 -8.142 283 HA TYR 39 HA TYR 39 -6.209 -4.187 -7.891 284 HB2 TYR 39 1HB TYR 39 -4.126 -4.455 -5.715 285 HB3 TYR 39 2HB TYR 39 -5.745 -3.786 -5.543 286 HD1 TYR 39 1HD TYR 39 -3.864 -6.907 -6.205 287 HD2 TYR 39 2HD TYR 39 -7.605 -5.187 -5.133 288 HE1 TYR 39 1HE TYR 39 -4.718 -9.140 -5.630 289 HE2 TYR 39 2HE TYR 39 -8.470 -7.416 -4.554 290 HH TYR 39 HH TYR 39 -8.070 -9.605 -4.560 291 H ARG 40 H ARG 40 -2.738 -3.717 -8.009 292 HA ARG 40 HA ARG 40 -2.274 -1.163 -7.367 293 HB2 ARG 40 1HB ARG 40 -0.526 -1.087 -8.961 294 HB3 ARG 40 2HB ARG 40 -0.692 -2.780 -8.515 295 HG2 ARG 40 1HG ARG 40 -2.014 -3.160 -10.560 296 HG3 ARG 40 2HG ARG 40 -1.746 -1.476 -11.015 297 HD2 ARG 40 1HD ARG 40 0.607 -3.186 -10.370 298 HD3 ARG 40 2HD ARG 40 -0.197 -3.400 -11.924 299 HE ARG 40 HE ARG 40 0.401 -0.660 -11.359 300 HH11 ARG 40 2HH1 ARG 40 1.715 -3.652 -12.562 301 HH12 ARG 40 1HH1 ARG 40 2.936 -2.882 -13.520 302 HH21 ARG 40 1HH2 ARG 40 3.100 -0.597 -13.550 303 HH22 ARG 40 2HH2 ARG 40 2.004 0.365 -12.617 304 H ASP 41 H ASP 41 -3.946 -2.200 -10.305 305 HA ASP 41 HA ASP 41 -4.182 0.155 -11.681 306 HB2 ASP 41 1HB ASP 41 -5.178 -2.270 -12.092 307 HB3 ASP 41 2HB ASP 41 -6.634 -1.526 -11.436 308 H ARG 42 H ARG 42 -6.267 -0.970 -9.033 309 HA ARG 42 HA ARG 42 -8.049 1.179 -9.014 310 HB2 ARG 42 1HB ARG 42 -7.124 -0.391 -6.604 311 HB3 ARG 42 2HB ARG 42 -8.638 0.488 -6.775 312 HG2 ARG 42 1HG ARG 42 -9.223 -1.074 -8.647 313 HG3 ARG 42 2HG ARG 42 -7.801 -2.021 -8.203 314 HD2 ARG 42 1HD ARG 42 -9.982 -1.322 -6.251 315 HD3 ARG 42 2HD ARG 42 -10.007 -2.789 -7.230 316 HE ARG 42 HE ARG 42 -8.297 -3.661 -5.937 317 HH11 ARG 42 2HH1 ARG 42 -8.889 -0.334 -5.100 318 HH12 ARG 42 1HH1 ARG 42 -7.938 -0.393 -3.652 319 HH21 ARG 42 1HH2 ARG 42 -6.888 -2.338 -3.047 320 HH22 ARG 42 2HH2 ARG 42 -7.043 -3.752 -4.034 321 H PHE 43 H PHE 43 -4.950 0.750 -7.362 322 HA PHE 43 HA PHE 43 -5.000 3.045 -5.776 323 HB2 PHE 43 1HB PHE 43 -2.759 1.439 -6.979 324 HB3 PHE 43 2HB PHE 43 -2.429 2.882 -6.026 325 HD1 PHE 43 2HD PHE 43 -5.093 0.368 -5.467 326 HD2 PHE 43 1HD PHE 43 -1.395 1.997 -4.131 327 HE1 PHE 43 2HE PHE 43 -5.257 -0.962 -3.404 328 HE2 PHE 43 1HE PHE 43 -1.552 0.669 -2.065 329 HZ PHE 43 HZ PHE 43 -3.485 -0.812 -1.699 330 H LEU 44 H LEU 44 -3.379 2.628 -8.929 331 HA LEU 44 HA LEU 44 -2.632 5.277 -9.301 332 HB2 LEU 44 1HB LEU 44 -3.356 3.162 -11.318 333 HB3 LEU 44 2HB LEU 44 -2.639 4.714 -11.742 334 HG LEU 44 HG LEU 44 -0.758 3.443 -11.721 335 HD11 LEU 44 1HD1 LEU 44 -1.020 3.974 -8.767 336 HD12 LEU 44 2HD1 LEU 44 -0.529 5.169 -9.967 337 HD13 LEU 44 3HD1 LEU 44 0.474 3.748 -9.676 338 HD21 LEU 44 3HD2 LEU 44 -0.691 1.320 -11.030 339 HD22 LEU 44 1HD2 LEU 44 -2.399 1.523 -10.639 340 HD23 LEU 44 2HD2 LEU 44 -1.177 1.747 -9.388 341 H SER 45 H SER 45 -5.484 3.639 -10.688 342 HA SER 45 HA SER 45 -6.671 5.816 -11.892 343 HB2 SER 45 1HB SER 45 -7.364 3.278 -11.792 344 HB3 SER 45 2HB SER 45 -8.402 3.823 -10.474 345 HG SER 45 HG SER 45 -8.976 5.541 -12.169 346 H GLU 46 H GLU 46 -7.058 4.697 -8.545 347 HA GLU 46 HA GLU 46 -8.723 6.980 -7.891 348 HB2 GLU 46 1HB GLU 46 -7.715 4.631 -6.294 349 HB3 GLU 46 2HB GLU 46 -8.604 5.958 -5.559 350 HG2 GLU 46 1HG GLU 46 -9.626 4.207 -7.784 351 HG3 GLU 46 2HG GLU 46 -10.028 4.029 -6.077 352 H ARG 47 H ARG 47 -5.624 6.850 -8.504 353 HA ARG 47 HA ARG 47 -3.694 7.814 -7.716 354 HB2 ARG 47 1HB ARG 47 -5.706 9.963 -7.023 355 HB3 ARG 47 2HB ARG 47 -3.974 10.202 -7.209 356 HG2 ARG 47 1HG ARG 47 -5.721 9.162 -9.420 357 HG3 ARG 47 2HG ARG 47 -5.408 10.879 -9.164 358 HD2 ARG 47 1HD ARG 47 -3.329 8.752 -9.667 359 HD3 ARG 47 2HD ARG 47 -3.899 9.938 -10.840 360 HE ARG 47 HE ARG 47 -2.842 11.109 -8.439 361 HH11 ARG 47 2HH1 ARG 47 -2.065 9.852 -11.591 362 HH12 ARG 47 1HH1 ARG 47 -0.599 10.764 -11.737 363 HH21 ARG 47 1HH2 ARG 47 0.055 12.164 -10.045 364 HH22 ARG 47 2HH2 ARG 47 -0.914 12.315 -8.619 365 H VAL 48 H VAL 48 -4.736 6.034 -5.823 366 HA VAL 48 HA VAL 48 -4.976 7.151 -3.237 367 HB VAL 48 HB VAL 48 -4.126 4.366 -4.045 368 HG11 VAL 48 1HG1 VAL 48 -5.385 4.326 -1.546 369 HG12 VAL 48 2HG1 VAL 48 -3.681 4.028 -1.893 370 HG13 VAL 48 3HG1 VAL 48 -4.227 5.653 -1.475 371 HG21 VAL 48 3HG2 VAL 48 -6.307 4.805 -4.894 372 HG22 VAL 48 1HG2 VAL 48 -6.504 3.828 -3.439 373 HG23 VAL 48 2HG2 VAL 48 -6.810 5.564 -3.383 374 H ASN 49 H ASN 49 -3.384 8.455 -2.522 375 HA ASN 49 HA ASN 49 -0.599 7.811 -2.964 376 HB2 ASN 49 1HB ASN 49 -0.137 9.920 -1.824 377 HB3 ASN 49 2HB ASN 49 -1.382 10.151 -3.047 378 HD21 ASN 49 2HD2 ASN 49 -2.153 11.638 0.395 379 HD22 ASN 49 1HD2 ASN 49 -0.654 11.526 -0.456 380 H GLY 50 H GLY 50 0.936 7.916 -1.074 381 HA2 GLY 50 1HA GLY 50 0.614 5.815 0.646 382 HA3 GLY 50 2HA GLY 50 1.659 7.186 0.988 383 H ARG 51 H ARG 51 0.197 9.222 1.626 384 HA ARG 51 HA ARG 51 -0.645 8.927 4.179 385 HB2 ARG 51 1HB ARG 51 -0.418 11.080 2.865 386 HB3 ARG 51 2HB ARG 51 -2.040 10.785 2.253 387 HG2 ARG 51 1HG ARG 51 -1.384 10.991 5.181 388 HG3 ARG 51 2HG ARG 51 -1.896 12.359 4.191 389 HD2 ARG 51 1HD ARG 51 -3.853 10.679 3.564 390 HD3 ARG 51 2HD ARG 51 -3.442 10.009 5.142 391 HE ARG 51 HE ARG 51 -4.354 11.864 6.131 392 HH11 ARG 51 2HH1 ARG 51 -3.890 12.481 2.737 393 HH12 ARG 51 1HH1 ARG 51 -4.757 13.981 2.757 394 HH21 ARG 51 1HH2 ARG 51 -5.670 14.752 4.711 395 HH22 ARG 51 2HH2 ARG 51 -5.498 13.837 6.171 396 H LEU 52 H LEU 52 -2.813 8.818 1.350 397 HA LEU 52 HA LEU 52 -5.155 8.206 2.756 398 HB2 LEU 52 1HB LEU 52 -5.166 8.980 0.454 399 HB3 LEU 52 2HB LEU 52 -4.366 7.499 -0.067 400 HG LEU 52 HG LEU 52 -6.402 6.243 0.694 401 HD11 LEU 52 1HD1 LEU 52 -7.801 8.892 0.683 402 HD12 LEU 52 2HD1 LEU 52 -7.139 8.211 2.168 403 HD13 LEU 52 3HD1 LEU 52 -8.377 7.332 1.271 404 HD21 LEU 52 3HD2 LEU 52 -6.599 8.302 -1.492 405 HD22 LEU 52 1HD2 LEU 52 -7.801 7.034 -1.249 406 HD23 LEU 52 2HD2 LEU 52 -6.134 6.606 -1.631 407 H LEU 53 H LEU 53 -2.648 6.126 1.401 408 HA LEU 53 HA LEU 53 -3.897 3.656 1.690 409 HB2 LEU 53 1HB LEU 53 -1.724 4.126 0.540 410 HB3 LEU 53 2HB LEU 53 -0.969 4.212 2.130 411 HG LEU 53 HG LEU 53 -1.699 1.835 2.495 412 HD11 LEU 53 1HD1 LEU 53 -2.149 0.554 0.378 413 HD12 LEU 53 2HD1 LEU 53 -2.436 2.106 -0.409 414 HD13 LEU 53 3HD1 LEU 53 -3.462 1.595 0.930 415 HD21 LEU 53 3HD2 LEU 53 0.085 2.147 0.095 416 HD22 LEU 53 1HD2 LEU 53 0.161 0.926 1.365 417 HD23 LEU 53 2HD2 LEU 53 0.588 2.599 1.724 418 H LEU 54 H LEU 54 -2.216 5.647 4.048 419 HA LEU 54 HA LEU 54 -2.113 3.696 6.106 420 HB2 LEU 54 1HB LEU 54 -1.911 6.690 6.078 421 HB3 LEU 54 2HB LEU 54 -1.861 5.773 7.582 422 HG LEU 54 HG LEU 54 0.062 5.197 5.352 423 HD11 LEU 54 1HD1 LEU 54 1.626 6.753 6.258 424 HD12 LEU 54 2HD1 LEU 54 0.533 7.173 7.576 425 HD13 LEU 54 3HD1 LEU 54 0.132 7.628 5.919 426 HD21 LEU 54 3HD2 LEU 54 1.425 4.324 7.144 427 HD22 LEU 54 1HD2 LEU 54 -0.178 3.593 7.214 428 HD23 LEU 54 2HD2 LEU 54 0.256 4.875 8.345 429 H THR 55 H THR 55 -4.252 6.509 5.634 430 HA THR 55 HA THR 55 -5.937 6.144 7.785 431 HB THR 55 HB THR 55 -7.610 7.417 6.600 432 HG1 THR 55 1HG THR 55 -7.567 7.665 4.399 433 HG21 THR 55 3HG2 THR 55 -6.112 9.014 7.182 434 HG22 THR 55 1HG2 THR 55 -5.880 9.127 5.437 435 HG23 THR 55 2HG2 THR 55 -4.762 8.177 6.416 436 H LEU 56 H LEU 56 -5.885 4.449 4.720 437 HA LEU 56 HA LEU 56 -8.405 3.228 4.845 438 HB2 LEU 56 1HB LEU 56 -5.824 2.336 3.579 439 HB3 LEU 56 2HB LEU 56 -7.352 1.483 3.369 440 HG LEU 56 HG LEU 56 -6.970 4.366 2.590 441 HD11 LEU 56 1HD1 LEU 56 -5.706 2.180 1.408 442 HD12 LEU 56 2HD1 LEU 56 -5.914 3.792 0.725 443 HD13 LEU 56 3HD1 LEU 56 -7.094 2.528 0.377 444 HD21 LEU 56 3HD2 LEU 56 -9.012 4.192 1.517 445 HD22 LEU 56 1HD2 LEU 56 -9.275 3.237 2.976 446 HD23 LEU 56 2HD2 LEU 56 -8.942 2.431 1.443 447 H THR 57 H THR 57 -9.201 1.611 6.028 448 HA THR 57 HA THR 57 -7.315 -0.025 7.596 449 HB THR 57 HB THR 57 -8.997 -0.163 9.378 450 HG1 THR 57 1HG THR 57 -10.835 1.231 9.240 451 HG21 THR 57 3HG2 THR 57 -8.129 2.588 8.519 452 HG22 THR 57 1HG2 THR 57 -7.390 1.535 9.724 453 HG23 THR 57 2HG2 THR 57 -8.949 2.292 10.051 454 H GLU 58 H GLU 58 -8.305 -2.124 8.337 455 HA GLU 58 HA GLU 58 -8.868 -3.828 6.336 456 HB2 GLU 58 1HB GLU 58 -8.502 -4.681 8.539 457 HB3 GLU 58 2HB GLU 58 -9.941 -3.881 9.155 458 HG2 GLU 58 1HG GLU 58 -11.199 -5.362 7.446 459 HG3 GLU 58 2HG GLU 58 -9.723 -6.325 7.455 460 H GLU 59 H GLU 59 -11.071 -1.527 7.706 461 HA GLU 59 HA GLU 59 -13.415 -2.703 6.492 462 HB2 GLU 59 1HB GLU 59 -14.142 -1.605 8.343 463 HB3 GLU 59 2HB GLU 59 -12.839 -0.426 8.285 464 HG2 GLU 59 1HG GLU 59 -13.987 0.982 6.885 465 HG3 GLU 59 2HG GLU 59 -14.990 -0.311 6.229 466 H GLU 60 H GLU 60 -11.969 0.545 6.179 467 HA GLU 60 HA GLU 60 -13.224 1.443 3.959 468 HB2 GLU 60 1HB GLU 60 -10.245 1.776 4.243 469 HB3 GLU 60 2HB GLU 60 -11.409 2.913 3.578 470 HG2 GLU 60 1HG GLU 60 -12.408 3.032 5.902 471 HG3 GLU 60 2HG GLU 60 -10.968 2.177 6.452 472 H PHE 61 H PHE 61 -10.496 -0.803 4.021 473 HA PHE 61 HA PHE 61 -10.068 -0.935 1.246 474 HB2 PHE 61 1HB PHE 61 -9.505 -2.902 3.465 475 HB3 PHE 61 2HB PHE 61 -9.017 -3.181 1.796 476 HD1 PHE 61 1HD PHE 61 -7.740 -1.081 0.726 477 HD2 PHE 61 2HD PHE 61 -7.933 -2.021 4.872 478 HE1 PHE 61 1HE PHE 61 -5.679 0.208 1.111 479 HE2 PHE 61 2HE PHE 61 -5.874 -0.733 5.264 480 HZ PHE 61 HZ PHE 61 -4.745 0.384 3.382 481 H SER 62 H SER 62 -12.227 -2.712 3.387 482 HA SER 62 HA SER 62 -13.111 -4.524 1.341 483 HB2 SER 62 1HB SER 62 -14.329 -5.565 2.993 484 HB3 SER 62 2HB SER 62 -13.133 -4.739 3.992 485 HG SER 62 HG SER 62 -14.958 -4.097 4.912 486 H ARG 63 H ARG 63 -13.531 -1.347 1.561 487 HA ARG 63 HA ARG 63 -16.330 -1.413 0.648 488 HB2 ARG 63 1HB ARG 63 -14.749 0.899 1.787 489 HB3 ARG 63 2HB ARG 63 -16.416 0.982 1.233 490 HG2 ARG 63 1HG ARG 63 -15.444 -0.764 3.485 491 HG3 ARG 63 2HG ARG 63 -16.200 0.819 3.685 492 HD2 ARG 63 1HD ARG 63 -17.457 -1.605 2.403 493 HD3 ARG 63 2HD ARG 63 -17.817 -0.979 4.011 494 HE ARG 63 HE ARG 63 -18.215 0.893 1.844 495 HH11 ARG 63 2HH1 ARG 63 -19.638 -1.533 3.896 496 HH12 ARG 63 1HH1 ARG 63 -21.260 -0.973 3.653 497 HH21 ARG 63 1HH2 ARG 63 -21.661 0.830 2.299 498 HH22 ARG 63 2HH2 ARG 63 -20.346 1.639 1.516 499 H ALA 64 H ALA 64 -16.913 -0.265 -1.216 500 HA ALA 64 HA ALA 64 -15.057 -0.328 -3.327 501 HB1 ALA 64 3HB ALA 64 -17.037 1.334 -4.234 502 HB2 ALA 64 1HB ALA 64 -17.064 -0.428 -4.307 503 HB3 ALA 64 2HB ALA 64 -17.858 0.412 -2.975 504 HA PRO 65 HA PRO 65 -15.283 0.930 -5.446 505 HB2 PRO 65 2HB PRO 65 -14.446 2.621 -6.757 506 HB3 PRO 65 1HB PRO 65 -13.021 1.575 -6.801 507 HG2 PRO 65 1HG PRO 65 -11.922 2.790 -5.156 508 HG3 PRO 65 2HG PRO 65 -12.840 4.090 -5.939 509 HD2 PRO 65 1HD PRO 65 -13.017 3.575 -3.286 510 HD3 PRO 65 2HD PRO 65 -14.384 4.199 -4.231 511 H TYR 66 H TYR 66 -12.350 1.019 -3.517 512 HA TYR 66 HA TYR 66 -10.884 -1.068 -4.490 513 HB2 TYR 66 1HB TYR 66 -11.320 -0.818 -1.528 514 HB3 TYR 66 2HB TYR 66 -9.840 -1.208 -2.398 515 HD1 TYR 66 1HD TYR 66 -9.996 1.044 -4.437 516 HD2 TYR 66 2HD TYR 66 -10.525 0.988 -0.216 517 HE1 TYR 66 1HE TYR 66 -9.307 3.402 -4.326 518 HE2 TYR 66 2HE TYR 66 -9.838 3.346 -0.093 519 HH TYR 66 HH TYR 66 -9.348 5.271 -2.967 520 H THR 67 H THR 67 -13.687 -1.270 -2.332 521 HA THR 67 HA THR 67 -14.699 -3.169 -1.431 522 HB THR 67 HB THR 67 -15.868 -2.502 -3.567 523 HG1 THR 67 1HG THR 67 -15.936 -5.267 -2.867 524 HG21 THR 67 3HG2 THR 67 -13.855 -3.491 -4.929 525 HG22 THR 67 1HG2 THR 67 -15.495 -3.578 -5.571 526 HG23 THR 67 2HG2 THR 67 -14.773 -4.991 -4.801 527 H ILE 68 H ILE 68 -11.963 -3.658 -1.385 528 HA ILE 68 HA ILE 68 -11.023 -5.901 -2.702 529 HB ILE 68 HB ILE 68 -10.436 -5.044 0.134 530 HG12 ILE 68 1HG1 ILE 68 -9.130 -4.427 -2.519 531 HG13 ILE 68 2HG1 ILE 68 -9.869 -3.289 -1.398 532 HG21 ILE 68 1HG2 ILE 68 -9.814 -7.461 -0.973 533 HG22 ILE 68 2HG2 ILE 68 -8.378 -6.507 -1.340 534 HG23 ILE 68 3HG2 ILE 68 -8.919 -6.680 0.330 535 HD11 ILE 68 3HD1 ILE 68 -7.186 -3.970 -1.580 536 HD12 ILE 68 1HD1 ILE 68 -7.963 -3.033 -0.304 537 HD13 ILE 68 2HD1 ILE 68 -7.760 -4.776 -0.121 538 H GLU 69 H GLU 69 -12.583 -7.492 -2.937 539 HA GLU 69 HA GLU 69 -13.815 -8.665 -0.590 540 HB2 GLU 69 1HB GLU 69 -13.988 -9.569 -3.468 541 HB3 GLU 69 2HB GLU 69 -15.039 -10.058 -2.146 542 HG2 GLU 69 1HG GLU 69 -15.491 -7.474 -1.988 543 HG3 GLU 69 2HG GLU 69 -14.965 -7.510 -3.670 544 H ASN 70 H ASN 70 -11.078 -8.887 -0.437 545 HA ASN 70 HA ASN 70 -10.770 -11.779 -0.433 546 HB2 ASN 70 1HB ASN 70 -9.854 -10.899 -2.627 547 HB3 ASN 70 2HB ASN 70 -8.634 -10.048 -1.684 548 HD21 ASN 70 2HD2 ASN 70 -6.628 -12.842 -2.153 549 HD22 ASN 70 1HD2 ASN 70 -6.913 -11.172 -2.492 550 H SER 71 H SER 71 -10.384 -12.113 1.659 551 HA SER 71 HA SER 71 -9.388 -10.317 3.506 552 HB2 SER 71 1HB SER 71 -9.297 -13.338 3.477 553 HB3 SER 71 2HB SER 71 -8.804 -12.376 4.870 554 HG SER 71 HG SER 71 -11.287 -13.043 4.049 555 H SER 72 H SER 72 -7.554 -13.027 2.080 556 HA SER 72 HA SER 72 -5.086 -12.674 3.037 557 HB2 SER 72 1HB SER 72 -5.771 -14.293 1.227 558 HB3 SER 72 2HB SER 72 -5.549 -12.986 0.064 559 HG SER 72 HG SER 72 -3.470 -13.261 0.182 560 H HIS 73 H HIS 73 -6.414 -10.752 0.356 561 HA HIS 73 HA HIS 73 -4.210 -9.147 -0.151 562 HB2 HIS 73 1HB HIS 73 -6.566 -9.307 -1.312 563 HB3 HIS 73 2HB HIS 73 -6.957 -7.960 -0.246 564 HD1 HIS 73 1HD HIS 73 -6.590 -5.767 -1.302 565 HD2 HIS 73 2HD HIS 73 -3.998 -8.644 -2.807 566 HE1 HIS 73 1HE HIS 73 -5.231 -4.593 -3.062 567 HE2 HIS 73 2HE HIS 73 -3.729 -6.375 -4.018 568 H ARG 74 H ARG 74 -6.926 -8.497 2.061 569 HA ARG 74 HA ARG 74 -5.918 -6.060 3.048 570 HB2 ARG 74 1HB ARG 74 -7.902 -8.051 4.123 571 HB3 ARG 74 2HB ARG 74 -7.468 -6.607 5.028 572 HG2 ARG 74 1HG ARG 74 -8.080 -5.374 2.816 573 HG3 ARG 74 2HG ARG 74 -8.970 -6.857 2.466 574 HD2 ARG 74 1HD ARG 74 -9.290 -5.222 4.978 575 HD3 ARG 74 2HD ARG 74 -10.337 -5.094 3.565 576 HE ARG 74 HE ARG 74 -10.467 -7.068 5.594 577 HH11 ARG 74 2HH1 ARG 74 -10.852 -6.614 2.164 578 HH12 ARG 74 1HH1 ARG 74 -11.974 -7.922 1.985 579 HH21 ARG 74 1HH2 ARG 74 -12.595 -9.160 3.810 580 HH22 ARG 74 2HH2 ARG 74 -11.943 -8.793 5.371 581 H ARG 75 H ARG 75 -5.716 -9.370 4.325 582 HA ARG 75 HA ARG 75 -4.367 -8.836 6.689 583 HB2 ARG 75 1HB ARG 75 -5.278 -11.035 6.179 584 HB3 ARG 75 2HB ARG 75 -4.121 -11.237 4.870 585 HG2 ARG 75 1HG ARG 75 -3.071 -10.726 7.600 586 HG3 ARG 75 2HG ARG 75 -3.739 -12.319 7.240 587 HD2 ARG 75 1HD ARG 75 -2.233 -12.354 5.214 588 HD3 ARG 75 2HD ARG 75 -1.455 -10.915 5.871 589 HE ARG 75 HE ARG 75 -1.352 -12.688 7.921 590 HH11 ARG 75 2HH1 ARG 75 -0.382 -12.801 4.579 591 HH12 ARG 75 1HH1 ARG 75 0.926 -13.903 4.860 592 HH21 ARG 75 1HH2 ARG 75 1.350 -14.663 6.979 593 HH22 ARG 75 2HH2 ARG 75 0.367 -14.138 8.304 594 H VAL 76 H VAL 76 -3.079 -9.336 3.432 595 HA VAL 76 HA VAL 76 -0.341 -9.183 4.226 596 HB VAL 76 HB VAL 76 -1.552 -8.789 1.485 597 HG11 VAL 76 1HG1 VAL 76 1.027 -9.842 1.285 598 HG12 VAL 76 2HG1 VAL 76 0.502 -8.211 0.862 599 HG13 VAL 76 3HG1 VAL 76 1.142 -8.544 2.472 600 HG21 VAL 76 3HG2 VAL 76 -1.380 -11.061 1.113 601 HG22 VAL 76 1HG2 VAL 76 -0.196 -11.289 2.400 602 HG23 VAL 76 2HG2 VAL 76 -1.891 -11.014 2.800 603 H ILE 77 H ILE 77 -2.478 -6.921 2.483 604 HA ILE 77 HA ILE 77 -0.715 -4.792 2.269 605 HB ILE 77 HB ILE 77 -3.714 -4.827 2.536 606 HG12 ILE 77 1HG1 ILE 77 -1.868 -4.308 0.194 607 HG13 ILE 77 2HG1 ILE 77 -2.751 -5.802 0.490 608 HG21 ILE 77 1HG2 ILE 77 -3.678 -2.649 2.978 609 HG22 ILE 77 2HG2 ILE 77 -1.926 -2.583 2.795 610 HG23 ILE 77 3HG2 ILE 77 -2.967 -2.399 1.384 611 HD11 ILE 77 3HD1 ILE 77 -4.657 -4.978 -0.333 612 HD12 ILE 77 1HD1 ILE 77 -4.418 -3.397 0.411 613 HD13 ILE 77 2HD1 ILE 77 -3.604 -3.791 -1.103 614 H LEU 78 H LEU 78 -3.325 -5.026 4.694 615 HA LEU 78 HA LEU 78 -2.599 -2.926 6.299 616 HB2 LEU 78 1HB LEU 78 -3.997 -5.502 6.783 617 HB3 LEU 78 2HB LEU 78 -3.513 -4.552 8.187 618 HG LEU 78 HG LEU 78 -4.808 -2.634 7.232 619 HD11 LEU 78 1HD1 LEU 78 -6.632 -3.515 5.583 620 HD12 LEU 78 2HD1 LEU 78 -5.398 -4.706 5.171 621 HD13 LEU 78 3HD1 LEU 78 -5.062 -2.985 4.977 622 HD21 LEU 78 3HD2 LEU 78 -6.308 -5.183 7.823 623 HD22 LEU 78 1HD2 LEU 78 -7.006 -3.564 7.846 624 HD23 LEU 78 2HD2 LEU 78 -5.743 -3.995 8.999 625 H THR 79 H THR 79 -1.842 -6.298 7.177 626 HA THR 79 HA THR 79 -0.119 -5.978 9.204 627 HB THR 79 HB THR 79 0.240 -7.878 6.882 628 HG1 THR 79 1HG THR 79 -1.699 -7.983 8.274 629 HG21 THR 79 3HG2 THR 79 1.960 -7.351 9.145 630 HG22 THR 79 1HG2 THR 79 2.220 -8.414 7.763 631 HG23 THR 79 2HG2 THR 79 1.351 -9.005 9.179 632 H GLU 80 H GLU 80 1.051 -6.102 5.831 633 HA GLU 80 HA GLU 80 3.671 -5.330 6.364 634 HB2 GLU 80 1HB GLU 80 1.977 -4.965 3.892 635 HB3 GLU 80 2HB GLU 80 3.693 -4.585 3.946 636 HG2 GLU 80 1HG GLU 80 2.838 -7.287 4.823 637 HG3 GLU 80 2HG GLU 80 2.798 -6.918 3.100 638 H LEU 81 H LEU 81 0.786 -3.394 5.853 639 HA LEU 81 HA LEU 81 2.091 -0.893 5.598 640 HB2 LEU 81 1HB LEU 81 -0.377 -1.645 5.106 641 HB3 LEU 81 2HB LEU 81 -0.641 -1.121 6.768 642 HG LEU 81 HG LEU 81 0.319 1.116 6.079 643 HD11 LEU 81 1HD1 LEU 81 1.444 0.372 4.044 644 HD12 LEU 81 2HD1 LEU 81 0.281 1.652 3.703 645 HD13 LEU 81 3HD1 LEU 81 -0.116 -0.023 3.322 646 HD21 LEU 81 3HD2 LEU 81 -2.282 -0.055 5.399 647 HD22 LEU 81 1HD2 LEU 81 -1.891 1.429 4.528 648 HD23 LEU 81 2HD2 LEU 81 -1.894 1.417 6.291 649 H GLU 82 H GLU 82 0.844 -2.706 8.351 650 HA GLU 82 HA GLU 82 1.066 -0.702 10.297 651 HB2 GLU 82 1HB GLU 82 -0.152 -2.745 10.742 652 HB3 GLU 82 2HB GLU 82 1.310 -3.703 10.549 653 HG2 GLU 82 1HG GLU 82 0.915 -3.540 12.864 654 HG3 GLU 82 2HG GLU 82 2.262 -2.459 12.510 655 H ARG 83 H ARG 83 3.465 -2.541 8.666 656 HA ARG 83 HA ARG 83 5.507 -2.061 10.675 657 HB2 ARG 83 1HB ARG 83 5.950 -3.181 7.915 658 HB3 ARG 83 2HB ARG 83 6.938 -3.405 9.352 659 HG2 ARG 83 1HG ARG 83 4.975 -4.633 10.358 660 HG3 ARG 83 2HG ARG 83 4.252 -4.603 8.748 661 HD2 ARG 83 1HD ARG 83 6.074 -5.858 7.836 662 HD3 ARG 83 2HD ARG 83 6.984 -5.726 9.340 663 HE ARG 83 HE ARG 83 4.912 -7.610 8.734 664 HH11 ARG 83 2HH1 ARG 83 6.514 -5.878 11.294 665 HH12 ARG 83 1HH1 ARG 83 6.116 -7.045 12.510 666 HH21 ARG 83 1HH2 ARG 83 4.903 -8.909 11.959 667 HH22 ARG 83 2HH2 ARG 83 4.381 -9.154 10.327 668 H VAL 84 H VAL 84 5.204 -1.343 7.190 669 HA VAL 84 HA VAL 84 7.296 0.446 6.971 670 HB VAL 84 HB VAL 84 6.024 1.454 5.056 671 HG11 VAL 84 1HG1 VAL 84 5.713 -1.030 4.015 672 HG12 VAL 84 2HG1 VAL 84 7.263 -0.202 4.172 673 HG13 VAL 84 3HG1 VAL 84 6.759 -1.370 5.394 674 HG21 VAL 84 3HG2 VAL 84 3.969 -0.539 4.925 675 HG22 VAL 84 1HG2 VAL 84 3.823 0.371 6.429 676 HG23 VAL 84 2HG2 VAL 84 3.821 1.218 4.882 677 H ARG 85 H ARG 85 4.063 0.965 8.212 678 HA ARG 85 HA ARG 85 4.261 3.823 8.278 679 HB2 ARG 85 1HB ARG 85 2.141 3.804 9.307 680 HB3 ARG 85 2HB ARG 85 2.119 2.439 8.198 681 HG2 ARG 85 1HG ARG 85 2.410 0.886 9.974 682 HG3 ARG 85 2HG ARG 85 2.743 2.180 11.127 683 HD2 ARG 85 1HD ARG 85 0.134 1.937 9.650 684 HD3 ARG 85 2HD ARG 85 0.423 1.167 11.209 685 HE ARG 85 HE ARG 85 1.082 3.731 11.692 686 HH11 ARG 85 2HH1 ARG 85 -1.708 2.251 10.228 687 HH12 ARG 85 1HH1 ARG 85 -2.800 3.492 10.745 688 HH21 ARG 85 1HH2 ARG 85 -2.025 5.267 11.968 689 HH22 ARG 85 2HH2 ARG 85 -0.346 5.372 12.379 690 H SER 86 H SER 86 4.715 1.207 10.609 691 HA SER 86 HA SER 86 5.225 2.990 12.803 692 HB2 SER 86 1HB SER 86 5.148 0.055 12.390 693 HB3 SER 86 2HB SER 86 6.194 0.630 13.688 694 HG SER 86 HG SER 86 4.293 1.861 14.398 695 H GLY 87 H GLY 87 7.334 2.562 14.105 696 HA2 GLY 87 1HA GLY 87 9.614 2.537 12.227 697 HA3 GLY 87 2HA GLY 87 9.474 3.753 13.489 698 HA PRO 88 HA PRO 88 11.464 -0.399 14.924 699 HB2 PRO 88 2HB PRO 88 12.937 -0.823 13.212 700 HB3 PRO 88 1HB PRO 88 14.072 0.003 14.287 701 HG2 PRO 88 1HG PRO 88 13.883 2.017 13.148 702 HG3 PRO 88 2HG PRO 88 13.663 0.880 11.805 703 HD2 PRO 88 1HD PRO 88 11.852 2.805 12.397 704 HD3 PRO 88 2HD PRO 88 11.387 1.233 11.714 705 H SER 89 H SER 89 11.561 2.860 15.413 706 HA SER 89 HA SER 89 13.566 3.620 17.005 707 HB2 SER 89 1HB SER 89 12.130 5.144 18.045 708 HB3 SER 89 2HB SER 89 11.272 4.765 16.552 709 HG SER 89 HG SER 89 9.701 4.311 17.881 710 H SER 90 H SER 90 14.407 3.223 18.991 711 HA SER 90 HA SER 90 13.077 1.198 20.660 712 HB2 SER 90 1HB SER 90 14.820 -0.008 19.559 713 HB3 SER 90 2HB SER 90 15.981 1.291 19.832 714 HG SER 90 HG SER 90 16.207 -0.481 21.305 715 H GLY 91 H GLY 91 13.907 1.170 22.920 716 HA2 GLY 91 1HA GLY 91 15.477 2.775 24.306 717 HA3 GLY 91 2HA GLY 91 14.238 3.928 23.833 Start of MODEL 19 1 H1 GLY 1 H GLY 1 11.036 15.285 -21.111 2 HA2 GLY 1 1HA GLY 1 9.233 13.153 -20.808 3 HA3 GLY 1 2HA GLY 1 10.852 12.486 -20.953 4 H SER 2 H SER 2 11.982 12.261 -19.141 5 HA SER 2 HA SER 2 11.467 14.066 -16.894 6 HB2 SER 2 1HB SER 2 11.392 12.152 -15.321 7 HB3 SER 2 2HB SER 2 10.051 12.125 -16.466 8 HG SER 2 HG SER 2 11.778 10.745 -17.689 9 H SER 3 H SER 3 13.104 13.561 -15.071 10 HA SER 3 HA SER 3 15.734 13.497 -16.324 11 HB2 SER 3 1HB SER 3 15.478 15.341 -14.862 12 HB3 SER 3 2HB SER 3 14.748 14.345 -13.603 13 HG SER 3 HG SER 3 16.801 13.298 -13.400 14 H GLY 4 H GLY 4 14.181 12.028 -13.463 15 HA2 GLY 4 1HA GLY 4 15.328 9.462 -14.043 16 HA3 GLY 4 2HA GLY 4 16.127 10.264 -12.698 17 H SER 5 H SER 5 15.391 8.463 -11.407 18 HA SER 5 HA SER 5 12.614 8.843 -10.511 19 HB2 SER 5 1HB SER 5 12.544 6.362 -10.063 20 HB3 SER 5 2HB SER 5 12.586 6.799 -11.771 21 HG SER 5 HG SER 5 14.102 5.244 -11.562 22 H SER 6 H SER 6 15.692 7.271 -9.634 23 HA SER 6 HA SER 6 16.853 7.189 -7.679 24 HB2 SER 6 1HB SER 6 16.236 9.753 -7.860 25 HB3 SER 6 2HB SER 6 15.208 9.379 -6.477 26 HG SER 6 HG SER 6 16.962 9.572 -5.349 27 H GLY 7 H GLY 7 15.018 5.292 -7.836 28 HA2 GLY 7 1HA GLY 7 13.880 5.205 -5.114 29 HA3 GLY 7 2HA GLY 7 12.948 4.664 -6.502 30 H GLU 8 H GLU 8 15.252 3.813 -4.141 31 HA GLU 8 HA GLU 8 15.774 1.250 -5.493 32 HB2 GLU 8 1HB GLU 8 17.311 2.567 -3.246 33 HB3 GLU 8 2HB GLU 8 17.712 1.027 -3.994 34 HG2 GLU 8 1HG GLU 8 18.105 2.148 -6.119 35 HG3 GLU 8 2HG GLU 8 17.678 3.695 -5.389 36 H HIS 9 H HIS 9 14.277 -0.176 -4.861 37 HA HIS 9 HA HIS 9 12.605 -0.275 -2.786 38 HB2 HIS 9 1HB HIS 9 12.928 -2.822 -2.788 39 HB3 HIS 9 2HB HIS 9 12.478 -2.063 -4.313 40 HD1 HIS 9 1HD HIS 9 15.258 -3.886 -2.631 41 HD2 HIS 9 2HD HIS 9 14.473 -2.101 -6.299 42 HE1 HIS 9 1HE HIS 9 17.090 -4.669 -4.165 43 HE2 HIS 9 2HE HIS 9 16.642 -3.509 -6.355 44 H GLY 10 H GLY 10 12.994 0.303 -0.741 45 HA2 GLY 10 1HA GLY 10 14.022 -1.178 1.224 46 HA3 GLY 10 2HA GLY 10 15.484 -0.464 0.559 47 H LEU 11 H LEU 11 14.388 2.076 -0.101 48 HA LEU 11 HA LEU 11 14.608 3.342 2.449 49 HB2 LEU 11 1HB LEU 11 14.648 5.363 1.294 50 HB3 LEU 11 2HB LEU 11 15.399 4.216 0.187 51 HG LEU 11 HG LEU 11 14.031 5.530 -1.172 52 HD11 LEU 11 1HD1 LEU 11 12.086 4.016 -1.756 53 HD12 LEU 11 2HD1 LEU 11 12.611 2.990 -0.421 54 HD13 LEU 11 3HD1 LEU 11 13.690 3.283 -1.785 55 HD21 LEU 11 3HD2 LEU 11 12.148 6.591 -0.547 56 HD22 LEU 11 1HD2 LEU 11 12.698 6.204 1.084 57 HD23 LEU 11 2HD2 LEU 11 11.503 5.177 0.289 58 H LEU 12 H LEU 12 12.099 1.735 1.175 59 HA LEU 12 HA LEU 12 9.922 3.515 1.561 60 HB2 LEU 12 1HB LEU 12 10.003 0.502 1.589 61 HB3 LEU 12 2HB LEU 12 8.537 1.477 1.523 62 HG LEU 12 HG LEU 12 10.663 1.578 -0.606 63 HD11 LEU 12 1HD1 LEU 12 8.528 -0.401 -0.127 64 HD12 LEU 12 2HD1 LEU 12 10.052 -0.559 -0.999 65 HD13 LEU 12 3HD1 LEU 12 8.670 0.216 -1.774 66 HD21 LEU 12 3HD2 LEU 12 8.742 2.440 -1.944 67 HD22 LEU 12 1HD2 LEU 12 9.229 3.492 -0.615 68 HD23 LEU 12 2HD2 LEU 12 7.792 2.482 -0.458 69 H VAL 13 H VAL 13 11.292 0.926 3.579 70 HA VAL 13 HA VAL 13 9.529 1.282 5.754 71 HB VAL 13 HB VAL 13 11.331 0.099 7.081 72 HG11 VAL 13 1HG1 VAL 13 10.080 -0.995 4.597 73 HG12 VAL 13 2HG1 VAL 13 11.139 -2.013 5.575 74 HG13 VAL 13 3HG1 VAL 13 9.684 -1.313 6.286 75 HG21 VAL 13 3HG2 VAL 13 13.403 0.187 6.266 76 HG22 VAL 13 1HG2 VAL 13 12.881 -0.960 5.032 77 HG23 VAL 13 2HG2 VAL 13 12.835 0.772 4.702 78 H HIS 14 H HIS 14 12.345 2.997 4.729 79 HA HIS 14 HA HIS 14 12.837 4.228 7.297 80 HB2 HIS 14 1HB HIS 14 14.027 4.524 4.554 81 HB3 HIS 14 2HB HIS 14 14.392 5.693 5.820 82 HD1 HIS 14 1HD HIS 14 14.986 2.136 4.826 83 HD2 HIS 14 2HD HIS 14 16.076 4.768 7.850 84 HE1 HIS 14 1HE HIS 14 16.854 0.998 6.066 85 HE2 HIS 14 2HE HIS 14 17.440 2.572 7.943 86 H LYS 15 H LYS 15 11.516 5.222 4.158 87 HA LYS 15 HA LYS 15 10.857 7.860 5.126 88 HB2 LYS 15 1HB LYS 15 11.479 7.677 2.819 89 HB3 LYS 15 2HB LYS 15 10.282 6.420 2.536 90 HG2 LYS 15 1HG LYS 15 8.610 8.300 3.299 91 HG3 LYS 15 2HG LYS 15 9.927 9.359 2.790 92 HD2 LYS 15 1HD LYS 15 9.938 8.232 0.592 93 HD3 LYS 15 2HD LYS 15 8.564 7.253 1.111 94 HE2 LYS 15 1HE LYS 15 7.549 8.966 -0.074 95 HE3 LYS 15 2HE LYS 15 7.433 9.530 1.592 96 HZ1 LYS 15 3HZ LYS 15 8.607 10.830 -0.566 97 HZ2 LYS 15 1HZ LYS 15 9.867 10.401 0.478 98 HZ3 LYS 15 2HZ LYS 15 8.575 11.330 1.050 99 H ALA 16 H ALA 16 8.939 8.562 5.876 100 HA ALA 16 HA ALA 16 7.037 6.782 6.879 101 HB1 ALA 16 3HB ALA 16 7.544 9.340 7.360 102 HB2 ALA 16 1HB ALA 16 6.182 9.556 6.260 103 HB3 ALA 16 2HB ALA 16 5.983 8.609 7.736 104 H VAL 17 H VAL 17 5.194 5.918 6.102 105 HA VAL 17 HA VAL 17 4.754 5.777 3.325 106 HB VAL 17 HB VAL 17 2.824 5.098 5.548 107 HG11 VAL 17 1HG1 VAL 17 2.831 3.770 2.881 108 HG12 VAL 17 2HG1 VAL 17 1.506 4.001 4.024 109 HG13 VAL 17 3HG1 VAL 17 2.073 5.354 3.044 110 HG21 VAL 17 3HG2 VAL 17 5.270 3.996 5.196 111 HG22 VAL 17 1HG2 VAL 17 3.882 3.134 5.860 112 HG23 VAL 17 2HG2 VAL 17 4.292 2.963 4.154 113 H ASP 18 H ASP 18 3.396 7.817 5.829 114 HA ASP 18 HA ASP 18 1.202 8.827 4.376 115 HB2 ASP 18 1HB ASP 18 0.948 10.385 6.100 116 HB3 ASP 18 2HB ASP 18 1.748 9.035 6.899 117 H LYS 19 H LYS 19 4.442 9.127 3.751 118 HA LYS 19 HA LYS 19 4.078 11.713 2.385 119 HB2 LYS 19 1HB LYS 19 6.382 10.490 3.802 120 HB3 LYS 19 2HB LYS 19 6.748 11.417 2.353 121 HG2 LYS 19 1HG LYS 19 6.933 12.968 4.068 122 HG3 LYS 19 2HG LYS 19 5.323 13.266 3.410 123 HD2 LYS 19 1HD LYS 19 4.273 12.171 5.217 124 HD3 LYS 19 2HD LYS 19 5.788 11.441 5.755 125 HE2 LYS 19 1HE LYS 19 5.271 13.232 7.246 126 HE3 LYS 19 2HE LYS 19 6.629 13.742 6.245 127 HZ1 LYS 19 3HZ LYS 19 5.330 15.221 5.081 128 HZ2 LYS 19 1HZ LYS 19 4.660 15.344 6.630 129 HZ3 LYS 19 2HZ LYS 19 3.881 14.425 5.442 130 H TRP 20 H TRP 20 4.066 8.492 1.822 131 HA TRP 20 HA TRP 20 5.723 8.216 -0.450 132 HB2 TRP 20 1HB TRP 20 3.291 6.675 0.466 133 HB3 TRP 20 2HB TRP 20 4.253 6.217 -0.936 134 HD1 TRP 20 HD TRP 20 6.507 7.519 1.671 135 HE1 TRP 20 1HE TRP 20 7.646 5.588 2.936 136 HE3 TRP 20 3HE TRP 20 3.597 3.648 0.034 137 HZ2 TRP 20 2HZ TRP 20 7.350 2.794 3.204 138 HZ3 TRP 20 3HZ TRP 20 4.092 1.377 0.842 139 HH2 TRP 20 HH TRP 20 5.930 0.961 2.393 140 H THR 21 H THR 21 4.923 7.800 -2.672 141 HA THR 21 HA THR 21 2.777 9.700 -3.361 142 HB THR 21 HB THR 21 3.929 9.729 -5.649 143 HG1 THR 21 1HG THR 21 5.361 7.861 -4.682 144 HG21 THR 21 3HG2 THR 21 4.039 11.643 -4.195 145 HG22 THR 21 1HG2 THR 21 5.643 11.367 -4.873 146 HG23 THR 21 2HG2 THR 21 5.291 10.882 -3.214 147 H THR 22 H THR 22 1.462 9.189 -5.221 148 HA THR 22 HA THR 22 0.130 6.860 -5.199 149 HB THR 22 HB THR 22 0.691 7.920 -7.930 150 HG1 THR 22 1HG THR 22 -1.046 9.390 -6.290 151 HG21 THR 22 3HG2 THR 22 -1.618 6.827 -6.394 152 HG22 THR 22 1HG2 THR 22 -1.054 6.428 -8.016 153 HG23 THR 22 2HG2 THR 22 -1.941 7.926 -7.734 154 H GLU 23 H GLU 23 3.209 7.410 -6.803 155 HA GLU 23 HA GLU 23 3.273 4.904 -8.163 156 HB2 GLU 23 1HB GLU 23 4.689 7.183 -8.419 157 HB3 GLU 23 2HB GLU 23 5.828 6.235 -7.473 158 HG2 GLU 23 1HG GLU 23 6.509 5.608 -9.529 159 HG3 GLU 23 2HG GLU 23 5.231 4.413 -9.314 160 H GLU 24 H GLU 24 5.151 6.106 -5.374 161 HA GLU 24 HA GLU 24 6.380 3.736 -4.672 162 HB2 GLU 24 1HB GLU 24 5.424 5.990 -2.902 163 HB3 GLU 24 2HB GLU 24 6.472 4.690 -2.351 164 HG2 GLU 24 1HG GLU 24 7.063 6.950 -4.192 165 HG3 GLU 24 2HG GLU 24 7.990 6.339 -2.823 166 H VAL 25 H VAL 25 3.217 4.960 -3.633 167 HA VAL 25 HA VAL 25 2.500 3.076 -1.774 168 HB VAL 25 HB VAL 25 0.707 4.284 -3.885 169 HG11 VAL 25 1HG1 VAL 25 -0.320 3.482 -1.224 170 HG12 VAL 25 2HG1 VAL 25 -1.120 3.482 -2.797 171 HG13 VAL 25 3HG1 VAL 25 0.013 2.195 -2.383 172 HG21 VAL 25 3HG2 VAL 25 2.075 5.437 -1.668 173 HG22 VAL 25 1HG2 VAL 25 0.960 6.204 -2.799 174 HG23 VAL 25 2HG2 VAL 25 0.345 5.448 -1.330 175 H VAL 26 H VAL 26 2.017 2.853 -5.295 176 HA VAL 26 HA VAL 26 0.931 0.231 -5.224 177 HB VAL 26 HB VAL 26 2.229 1.709 -7.518 178 HG11 VAL 26 1HG1 VAL 26 0.223 -0.407 -7.998 179 HG12 VAL 26 2HG1 VAL 26 1.657 0.034 -8.928 180 HG13 VAL 26 3HG1 VAL 26 1.817 -0.941 -7.466 181 HG21 VAL 26 3HG2 VAL 26 0.280 2.763 -7.890 182 HG22 VAL 26 1HG2 VAL 26 -0.681 1.345 -7.467 183 HG23 VAL 26 2HG2 VAL 26 -0.051 2.394 -6.197 184 H LEU 27 H LEU 27 4.184 1.511 -5.694 185 HA LEU 27 HA LEU 27 5.465 -0.827 -6.515 186 HB2 LEU 27 1HB LEU 27 6.299 1.698 -5.207 187 HB3 LEU 27 2HB LEU 27 7.428 0.346 -5.136 188 HG LEU 27 HG LEU 27 6.342 1.653 -7.629 189 HD11 LEU 27 1HD1 LEU 27 9.025 1.846 -7.768 190 HD12 LEU 27 2HD1 LEU 27 8.791 1.962 -6.024 191 HD13 LEU 27 3HD1 LEU 27 7.982 3.102 -7.100 192 HD21 LEU 27 3HD2 LEU 27 8.059 0.156 -8.736 193 HD22 LEU 27 1HD2 LEU 27 6.594 -0.634 -8.151 194 HD23 LEU 27 2HD2 LEU 27 8.092 -0.760 -7.228 195 H TRP 28 H TRP 28 5.046 0.473 -3.228 196 HA TRP 28 HA TRP 28 6.366 -1.551 -1.843 197 HB2 TRP 28 1HB TRP 28 5.835 0.340 -0.572 198 HB3 TRP 28 2HB TRP 28 4.155 0.343 -1.103 199 HD1 TRP 28 HD TRP 28 6.506 -1.450 1.353 200 HE1 TRP 28 1HE TRP 28 5.075 -2.578 3.170 201 HE3 TRP 28 3HE TRP 28 1.867 -0.572 -0.607 202 HZ2 TRP 28 2HZ TRP 28 2.341 -3.036 3.702 203 HZ3 TRP 28 3HZ TRP 28 -0.105 -1.388 0.618 204 HH2 TRP 28 HH TRP 28 0.129 -2.595 2.727 205 H LEU 29 H LEU 29 3.003 -1.347 -2.915 206 HA LEU 29 HA LEU 29 2.211 -3.793 -1.671 207 HB2 LEU 29 1HB LEU 29 0.520 -2.191 -2.083 208 HB3 LEU 29 2HB LEU 29 0.971 -2.049 -3.781 209 HG LEU 29 HG LEU 29 0.232 -4.537 -3.918 210 HD11 LEU 29 1HD1 LEU 29 -1.832 -4.646 -2.246 211 HD12 LEU 29 2HD1 LEU 29 -0.733 -3.695 -1.248 212 HD13 LEU 29 3HD1 LEU 29 -0.242 -5.286 -1.830 213 HD21 LEU 29 3HD2 LEU 29 -1.349 -3.556 -5.124 214 HD22 LEU 29 1HD2 LEU 29 -1.097 -2.043 -4.254 215 HD23 LEU 29 2HD2 LEU 29 -2.261 -3.222 -3.651 216 H GLU 30 H GLU 30 3.653 -2.926 -4.705 217 HA GLU 30 HA GLU 30 3.015 -5.381 -6.046 218 HB2 GLU 30 1HB GLU 30 4.661 -2.976 -6.641 219 HB3 GLU 30 2HB GLU 30 5.050 -4.455 -7.507 220 HG2 GLU 30 1HG GLU 30 2.476 -4.502 -7.970 221 HG3 GLU 30 2HG GLU 30 2.597 -2.777 -7.627 222 H GLN 31 H GLN 31 4.776 -4.988 -3.424 223 HA GLN 31 HA GLN 31 6.906 -6.843 -4.255 224 HB2 GLN 31 1HB GLN 31 6.796 -4.748 -2.104 225 HB3 GLN 31 2HB GLN 31 7.953 -6.070 -2.020 226 HG2 GLN 31 1HG GLN 31 8.933 -5.397 -4.120 227 HG3 GLN 31 2HG GLN 31 7.719 -4.133 -4.311 228 HE21 GLN 31 2HE2 GLN 31 9.221 -1.897 -2.060 229 HE22 GLN 31 1HE2 GLN 31 7.752 -2.356 -2.846 230 H LEU 32 H LEU 32 4.141 -6.416 -2.263 231 HA LEU 32 HA LEU 32 4.717 -8.457 -0.355 232 HB2 LEU 32 1HB LEU 32 1.939 -7.633 -1.085 233 HB3 LEU 32 2HB LEU 32 2.590 -8.088 0.488 234 HG LEU 32 HG LEU 32 3.017 -5.479 -0.963 235 HD11 LEU 32 1HD1 LEU 32 0.891 -5.415 -0.003 236 HD12 LEU 32 2HD1 LEU 32 1.929 -4.646 1.198 237 HD13 LEU 32 3HD1 LEU 32 1.407 -6.315 1.424 238 HD21 LEU 32 3HD2 LEU 32 4.787 -6.734 0.765 239 HD22 LEU 32 1HD2 LEU 32 3.908 -5.597 1.789 240 HD23 LEU 32 2HD2 LEU 32 4.753 -5.019 0.352 241 H GLY 33 H GLY 33 3.381 -8.404 -3.559 242 HA2 GLY 33 1HA GLY 33 3.661 -11.158 -3.958 243 HA3 GLY 33 2HA GLY 33 1.988 -10.856 -3.510 244 HA PRO 34 HA PRO 34 2.858 -10.091 -8.129 245 HB2 PRO 34 2HB PRO 34 3.423 -12.243 -8.703 246 HB3 PRO 34 1HB PRO 34 1.709 -12.341 -9.124 247 HG2 PRO 34 1HG PRO 34 1.150 -13.398 -7.134 248 HG3 PRO 34 2HG PRO 34 2.783 -14.045 -7.380 249 HD2 PRO 34 1HD PRO 34 2.054 -12.751 -5.116 250 HD3 PRO 34 2HD PRO 34 3.703 -12.677 -5.769 251 H TRP 35 H TRP 35 0.164 -11.227 -6.216 252 HA TRP 35 HA TRP 35 -1.900 -10.648 -8.062 253 HB2 TRP 35 1HB TRP 35 -3.343 -10.603 -5.960 254 HB3 TRP 35 2HB TRP 35 -2.455 -12.092 -6.272 255 HD1 TRP 35 HD TRP 35 -1.060 -12.993 -4.316 256 HE1 TRP 35 1HE TRP 35 -0.245 -12.060 -2.060 257 HE3 TRP 35 3HE TRP 35 -2.574 -8.139 -4.851 258 HZ2 TRP 35 2HZ TRP 35 -0.245 -9.594 -0.688 259 HZ3 TRP 35 3HZ TRP 35 -2.128 -6.557 -3.020 260 HH2 TRP 35 HH TRP 35 -0.988 -7.271 -0.982 261 H ALA 36 H ALA 36 0.104 -8.650 -6.166 262 HA ALA 36 HA ALA 36 -1.539 -6.479 -5.583 263 HB1 ALA 36 3HB ALA 36 0.634 -5.144 -5.780 264 HB2 ALA 36 1HB ALA 36 0.586 -6.462 -4.608 265 HB3 ALA 36 2HB ALA 36 1.398 -6.688 -6.158 266 H SER 37 H SER 37 -0.068 -7.466 -8.593 267 HA SER 37 HA SER 37 -0.407 -5.014 -9.981 268 HB2 SER 37 1HB SER 37 1.151 -6.510 -10.932 269 HB3 SER 37 2HB SER 37 0.020 -7.862 -10.870 270 HG SER 37 HG SER 37 -0.561 -7.322 -12.803 271 H LEU 38 H LEU 38 -2.637 -7.233 -8.846 272 HA LEU 38 HA LEU 38 -4.569 -6.859 -10.983 273 HB2 LEU 38 1HB LEU 38 -4.827 -8.267 -8.330 274 HB3 LEU 38 2HB LEU 38 -6.020 -8.291 -9.627 275 HG LEU 38 HG LEU 38 -3.228 -9.379 -9.938 276 HD11 LEU 38 1HD1 LEU 38 -3.800 -11.339 -9.024 277 HD12 LEU 38 2HD1 LEU 38 -5.430 -11.290 -9.696 278 HD13 LEU 38 3HD1 LEU 38 -5.063 -10.416 -8.208 279 HD21 LEU 38 3HD2 LEU 38 -5.662 -9.221 -11.611 280 HD22 LEU 38 1HD2 LEU 38 -4.753 -10.732 -11.668 281 HD23 LEU 38 2HD2 LEU 38 -3.960 -9.210 -12.075 282 H TYR 39 H TYR 39 -3.599 -5.210 -8.226 283 HA TYR 39 HA TYR 39 -6.193 -3.818 -8.062 284 HB2 TYR 39 1HB TYR 39 -4.129 -4.063 -5.865 285 HB3 TYR 39 2HB TYR 39 -5.715 -3.310 -5.737 286 HD1 TYR 39 1HD TYR 39 -4.051 -6.573 -6.394 287 HD2 TYR 39 2HD TYR 39 -7.570 -4.573 -5.084 288 HE1 TYR 39 1HE TYR 39 -5.011 -8.729 -5.701 289 HE2 TYR 39 2HE TYR 39 -8.539 -6.723 -4.386 290 HH TYR 39 HH TYR 39 -8.079 -8.905 -3.981 291 H ARG 40 H ARG 40 -2.786 -3.564 -8.532 292 HA ARG 40 HA ARG 40 -2.054 -1.050 -7.921 293 HB2 ARG 40 1HB ARG 40 -0.514 -1.085 -9.730 294 HB3 ARG 40 2HB ARG 40 -0.722 -2.756 -9.222 295 HG2 ARG 40 1HG ARG 40 -2.374 -3.023 -11.083 296 HG3 ARG 40 2HG ARG 40 -1.905 -1.416 -11.639 297 HD2 ARG 40 1HD ARG 40 0.519 -2.475 -11.451 298 HD3 ARG 40 2HD ARG 40 -0.387 -3.969 -11.684 299 HE ARG 40 HE ARG 40 -1.298 -2.326 -13.654 300 HH11 ARG 40 2HH1 ARG 40 1.849 -3.432 -12.655 301 HH12 ARG 40 1HH1 ARG 40 2.523 -3.363 -14.250 302 HH21 ARG 40 1HH2 ARG 40 1.231 -2.680 -16.014 303 HH22 ARG 40 2HH2 ARG 40 -0.422 -2.232 -15.758 304 H ASP 41 H ASP 41 -3.956 -1.920 -10.796 305 HA ASP 41 HA ASP 41 -4.216 0.589 -11.933 306 HB2 ASP 41 1HB ASP 41 -6.481 -1.397 -11.874 307 HB3 ASP 41 2HB ASP 41 -6.048 -0.269 -13.156 308 H ARG 42 H ARG 42 -6.078 -0.876 -9.316 309 HA ARG 42 HA ARG 42 -8.010 1.188 -9.116 310 HB2 ARG 42 1HB ARG 42 -7.123 -0.607 -6.861 311 HB3 ARG 42 2HB ARG 42 -8.694 0.149 -7.087 312 HG2 ARG 42 1HG ARG 42 -8.656 -1.297 -9.306 313 HG3 ARG 42 2HG ARG 42 -7.556 -2.282 -8.340 314 HD2 ARG 42 1HD ARG 42 -9.565 -3.232 -7.781 315 HD3 ARG 42 2HD ARG 42 -9.426 -2.010 -6.518 316 HE ARG 42 HE ARG 42 -11.291 -1.020 -7.367 317 HH11 ARG 42 2HH1 ARG 42 -9.838 -2.959 -9.868 318 HH12 ARG 42 1HH1 ARG 42 -11.107 -2.669 -11.011 319 HH21 ARG 42 1HH2 ARG 42 -12.887 -1.344 -10.439 320 HH22 ARG 42 2HH2 ARG 42 -12.968 -0.631 -8.864 321 H PHE 43 H PHE 43 -4.851 0.675 -7.666 322 HA PHE 43 HA PHE 43 -5.021 2.745 -5.740 323 HB2 PHE 43 1HB PHE 43 -2.710 1.282 -7.000 324 HB3 PHE 43 2HB PHE 43 -2.459 2.578 -5.834 325 HD1 PHE 43 2HD PHE 43 -4.917 -0.222 -5.985 326 HD2 PHE 43 1HD PHE 43 -1.759 1.667 -3.847 327 HE1 PHE 43 2HE PHE 43 -5.208 -1.828 -4.144 328 HE2 PHE 43 1HE PHE 43 -2.043 0.063 -2.003 329 HZ PHE 43 HZ PHE 43 -3.770 -1.687 -2.149 330 H LEU 44 H LEU 44 -3.438 2.616 -8.929 331 HA LEU 44 HA LEU 44 -2.599 5.295 -8.967 332 HB2 LEU 44 1HB LEU 44 -3.157 3.300 -11.140 333 HB3 LEU 44 2HB LEU 44 -2.602 4.935 -11.496 334 HG LEU 44 HG LEU 44 -0.697 3.538 -11.580 335 HD11 LEU 44 1HD1 LEU 44 -0.364 4.550 -8.809 336 HD12 LEU 44 2HD1 LEU 44 -0.732 5.714 -10.082 337 HD13 LEU 44 3HD1 LEU 44 0.703 4.696 -10.206 338 HD21 LEU 44 3HD2 LEU 44 -0.046 2.057 -9.733 339 HD22 LEU 44 1HD2 LEU 44 -1.599 1.598 -10.433 340 HD23 LEU 44 2HD2 LEU 44 -1.546 2.458 -8.894 341 H SER 45 H SER 45 -5.401 3.789 -10.583 342 HA SER 45 HA SER 45 -6.539 6.056 -11.662 343 HB2 SER 45 1HB SER 45 -7.246 3.528 -11.782 344 HB3 SER 45 2HB SER 45 -8.315 3.968 -10.451 345 HG SER 45 HG SER 45 -8.266 5.598 -12.724 346 H GLU 46 H GLU 46 -7.143 4.657 -8.447 347 HA GLU 46 HA GLU 46 -8.862 6.812 -7.656 348 HB2 GLU 46 1HB GLU 46 -7.582 4.553 -6.116 349 HB3 GLU 46 2HB GLU 46 -8.646 5.740 -5.376 350 HG2 GLU 46 1HG GLU 46 -9.368 3.830 -7.586 351 HG3 GLU 46 2HG GLU 46 -9.858 3.716 -5.896 352 H ARG 47 H ARG 47 -5.740 6.923 -8.293 353 HA ARG 47 HA ARG 47 -3.927 8.118 -7.585 354 HB2 ARG 47 1HB ARG 47 -6.198 9.900 -6.698 355 HB3 ARG 47 2HB ARG 47 -4.511 10.397 -6.681 356 HG2 ARG 47 1HG ARG 47 -6.035 9.527 -9.128 357 HG3 ARG 47 2HG ARG 47 -5.716 11.199 -8.661 358 HD2 ARG 47 1HD ARG 47 -3.229 10.422 -8.628 359 HD3 ARG 47 2HD ARG 47 -3.821 9.106 -9.641 360 HE ARG 47 HE ARG 47 -4.799 11.250 -10.907 361 HH11 ARG 47 2HH1 ARG 47 -1.623 10.551 -9.666 362 HH12 ARG 47 1HH1 ARG 47 -0.804 11.504 -10.859 363 HH21 ARG 47 1HH2 ARG 47 -2.006 12.617 -12.461 364 HH22 ARG 47 2HH2 ARG 47 -3.734 12.508 -12.484 365 H VAL 48 H VAL 48 -4.869 6.091 -5.750 366 HA VAL 48 HA VAL 48 -4.932 6.964 -3.085 367 HB VAL 48 HB VAL 48 -3.938 4.322 -4.162 368 HG11 VAL 48 1HG1 VAL 48 -3.900 5.381 -1.530 369 HG12 VAL 48 2HG1 VAL 48 -5.120 4.108 -1.590 370 HG13 VAL 48 3HG1 VAL 48 -3.458 3.761 -2.070 371 HG21 VAL 48 3HG2 VAL 48 -6.403 5.293 -4.533 372 HG22 VAL 48 1HG2 VAL 48 -6.078 3.581 -4.259 373 HG23 VAL 48 2HG2 VAL 48 -6.610 4.603 -2.923 374 H ASN 49 H ASN 49 -3.362 8.416 -2.531 375 HA ASN 49 HA ASN 49 -0.565 7.767 -3.030 376 HB2 ASN 49 1HB ASN 49 -0.064 10.001 -2.410 377 HB3 ASN 49 2HB ASN 49 -1.549 10.096 -3.351 378 HD21 ASN 49 2HD2 ASN 49 -1.417 11.489 0.381 379 HD22 ASN 49 1HD2 ASN 49 -0.033 10.952 -0.501 380 H GLY 50 H GLY 50 1.012 8.014 -1.241 381 HA2 GLY 50 1HA GLY 50 0.868 6.221 0.725 382 HA3 GLY 50 2HA GLY 50 1.696 7.752 0.972 383 H ARG 51 H ARG 51 0.136 9.610 1.550 384 HA ARG 51 HA ARG 51 -0.890 9.280 4.035 385 HB2 ARG 51 1HB ARG 51 -0.694 11.397 2.454 386 HB3 ARG 51 2HB ARG 51 -2.408 11.088 2.211 387 HG2 ARG 51 1HG ARG 51 -1.014 11.661 4.814 388 HG3 ARG 51 2HG ARG 51 -2.158 12.696 3.958 389 HD2 ARG 51 1HD ARG 51 -3.736 10.613 4.204 390 HD3 ARG 51 2HD ARG 51 -2.647 10.211 5.531 391 HE ARG 51 HE ARG 51 -3.582 11.900 6.755 392 HH11 ARG 51 2HH1 ARG 51 -4.385 12.357 3.398 393 HH12 ARG 51 1HH1 ARG 51 -5.477 13.667 3.703 394 HH21 ARG 51 1HH2 ARG 51 -5.834 14.388 5.848 395 HH22 ARG 51 2HH2 ARG 51 -5.017 13.624 7.169 396 H LEU 52 H LEU 52 -2.677 8.870 0.998 397 HA LEU 52 HA LEU 52 -5.179 8.305 2.157 398 HB2 LEU 52 1HB LEU 52 -4.624 8.877 -0.265 399 HB3 LEU 52 2HB LEU 52 -4.210 7.174 -0.452 400 HG LEU 52 HG LEU 52 -6.470 7.717 -1.275 401 HD11 LEU 52 1HD1 LEU 52 -7.531 5.824 -0.366 402 HD12 LEU 52 2HD1 LEU 52 -6.666 5.972 1.163 403 HD13 LEU 52 3HD1 LEU 52 -5.803 5.477 -0.293 404 HD21 LEU 52 3HD2 LEU 52 -8.114 8.654 -0.009 405 HD22 LEU 52 1HD2 LEU 52 -6.715 9.421 0.741 406 HD23 LEU 52 2HD2 LEU 52 -7.466 8.020 1.505 407 H LEU 53 H LEU 53 -2.630 6.130 0.959 408 HA LEU 53 HA LEU 53 -3.800 3.693 1.403 409 HB2 LEU 53 1HB LEU 53 -1.518 4.198 0.432 410 HB3 LEU 53 2HB LEU 53 -0.931 4.281 2.091 411 HG LEU 53 HG LEU 53 -1.720 1.907 2.377 412 HD11 LEU 53 1HD1 LEU 53 -1.721 0.797 -0.045 413 HD12 LEU 53 2HD1 LEU 53 -2.428 2.358 -0.461 414 HD13 LEU 53 3HD1 LEU 53 -3.197 1.339 0.755 415 HD21 LEU 53 3HD2 LEU 53 0.554 2.899 0.834 416 HD22 LEU 53 1HD2 LEU 53 0.169 1.205 0.527 417 HD23 LEU 53 2HD2 LEU 53 0.502 1.749 2.171 418 H LEU 54 H LEU 54 -2.305 5.837 3.762 419 HA LEU 54 HA LEU 54 -2.431 3.996 5.934 420 HB2 LEU 54 1HB LEU 54 -1.959 6.934 5.671 421 HB3 LEU 54 2HB LEU 54 -2.240 6.231 7.263 422 HG LEU 54 HG LEU 54 -0.025 5.404 5.388 423 HD11 LEU 54 1HD1 LEU 54 -0.027 7.267 7.754 424 HD12 LEU 54 2HD1 LEU 54 0.406 7.645 6.087 425 HD13 LEU 54 3HD1 LEU 54 1.431 6.574 7.042 426 HD21 LEU 54 3HD2 LEU 54 0.822 4.495 7.671 427 HD22 LEU 54 1HD2 LEU 54 -0.374 3.577 6.756 428 HD23 LEU 54 2HD2 LEU 54 -0.880 4.565 8.127 429 H THR 55 H THR 55 -4.382 6.852 5.080 430 HA THR 55 HA THR 55 -6.228 6.760 7.127 431 HB THR 55 HB THR 55 -7.759 7.976 5.698 432 HG1 THR 55 1HG THR 55 -6.484 6.578 3.738 433 HG21 THR 55 3HG2 THR 55 -6.260 9.569 6.280 434 HG22 THR 55 1HG2 THR 55 -5.861 9.522 4.563 435 HG23 THR 55 2HG2 THR 55 -4.879 8.624 5.721 436 H LEU 56 H LEU 56 -5.784 4.522 4.585 437 HA LEU 56 HA LEU 56 -8.452 3.500 4.486 438 HB2 LEU 56 1HB LEU 56 -5.820 2.331 3.601 439 HB3 LEU 56 2HB LEU 56 -7.387 1.584 3.298 440 HG LEU 56 HG LEU 56 -6.667 4.330 2.296 441 HD11 LEU 56 1HD1 LEU 56 -6.654 1.976 0.490 442 HD12 LEU 56 2HD1 LEU 56 -5.244 2.240 1.515 443 HD13 LEU 56 3HD1 LEU 56 -5.760 3.493 0.385 444 HD21 LEU 56 3HD2 LEU 56 -8.471 3.296 0.581 445 HD22 LEU 56 1HD2 LEU 56 -8.898 4.271 1.987 446 HD23 LEU 56 2HD2 LEU 56 -8.974 2.511 2.079 447 H THR 57 H THR 57 -9.292 1.653 5.429 448 HA THR 57 HA THR 57 -7.658 0.307 7.461 449 HB THR 57 HB THR 57 -9.539 0.358 9.061 450 HG1 THR 57 1HG THR 57 -11.249 1.869 8.614 451 HG21 THR 57 3HG2 THR 57 -8.560 3.059 8.131 452 HG22 THR 57 1HG2 THR 57 -7.792 2.009 9.321 453 HG23 THR 57 2HG2 THR 57 -9.349 2.756 9.678 454 H GLU 58 H GLU 58 -8.667 -1.724 8.241 455 HA GLU 58 HA GLU 58 -9.111 -3.595 6.397 456 HB2 GLU 58 1HB GLU 58 -9.169 -3.741 9.006 457 HB3 GLU 58 2HB GLU 58 -10.912 -3.656 8.792 458 HG2 GLU 58 1HG GLU 58 -10.950 -5.667 7.546 459 HG3 GLU 58 2HG GLU 58 -9.194 -5.685 7.395 460 H GLU 59 H GLU 59 -11.493 -1.252 7.452 461 HA GLU 59 HA GLU 59 -13.702 -2.459 6.102 462 HB2 GLU 59 1HB GLU 59 -13.194 0.098 7.528 463 HB3 GLU 59 2HB GLU 59 -14.526 0.074 6.381 464 HG2 GLU 59 1HG GLU 59 -15.759 -1.392 7.623 465 HG3 GLU 59 2HG GLU 59 -14.341 -2.120 8.374 466 H GLU 60 H GLU 60 -12.371 0.777 5.471 467 HA GLU 60 HA GLU 60 -13.314 1.299 3.029 468 HB2 GLU 60 1HB GLU 60 -10.466 1.732 3.940 469 HB3 GLU 60 2HB GLU 60 -11.164 2.479 2.510 470 HG2 GLU 60 1HG GLU 60 -12.263 2.830 5.286 471 HG3 GLU 60 2HG GLU 60 -11.109 3.930 4.534 472 H PHE 61 H PHE 61 -10.636 -0.905 3.689 473 HA PHE 61 HA PHE 61 -9.913 -1.424 1.023 474 HB2 PHE 61 1HB PHE 61 -9.603 -2.997 3.572 475 HB3 PHE 61 2HB PHE 61 -9.026 -3.618 2.029 476 HD1 PHE 61 1HD PHE 61 -7.873 -1.350 0.711 477 HD2 PHE 61 2HD PHE 61 -7.792 -2.378 4.840 478 HE1 PHE 61 1HE PHE 61 -5.782 -0.082 0.982 479 HE2 PHE 61 2HE PHE 61 -5.701 -1.112 5.118 480 HZ PHE 61 HZ PHE 61 -4.694 0.040 3.188 481 H SER 62 H SER 62 -12.180 -3.073 3.195 482 HA SER 62 HA SER 62 -12.926 -5.031 1.242 483 HB2 SER 62 1HB SER 62 -14.214 -5.977 2.899 484 HB3 SER 62 2HB SER 62 -13.092 -5.052 3.896 485 HG SER 62 HG SER 62 -14.836 -3.326 3.567 486 H ARG 63 H ARG 63 -13.656 -1.791 1.630 487 HA ARG 63 HA ARG 63 -16.331 -2.008 0.472 488 HB2 ARG 63 1HB ARG 63 -14.828 0.464 1.349 489 HB3 ARG 63 2HB ARG 63 -16.527 0.375 0.903 490 HG2 ARG 63 1HG ARG 63 -15.234 -0.927 3.290 491 HG3 ARG 63 2HG ARG 63 -16.297 0.482 3.302 492 HD2 ARG 63 1HD ARG 63 -17.076 -2.274 2.355 493 HD3 ARG 63 2HD ARG 63 -17.453 -1.605 3.942 494 HE ARG 63 HE ARG 63 -18.818 -1.080 1.496 495 HH11 ARG 63 2HH1 ARG 63 -17.899 0.326 4.546 496 HH12 ARG 63 1HH1 ARG 63 -19.215 1.452 4.572 497 HH21 ARG 63 1HH2 ARG 63 -20.726 1.491 2.850 498 HH22 ARG 63 2HH2 ARG 63 -20.555 0.398 1.519 499 H ALA 64 H ALA 64 -16.897 -1.035 -1.493 500 HA ALA 64 HA ALA 64 -15.029 -1.265 -3.570 501 HB1 ALA 64 3HB ALA 64 -17.048 -1.437 -4.526 502 HB2 ALA 64 1HB ALA 64 -17.821 -0.429 -3.303 503 HB3 ALA 64 2HB ALA 64 -16.964 0.320 -4.651 504 HA PRO 65 HA PRO 65 -15.268 -0.158 -5.789 505 HB2 PRO 65 2HB PRO 65 -14.423 1.423 -7.226 506 HB3 PRO 65 1HB PRO 65 -13.011 0.360 -7.207 507 HG2 PRO 65 1HG PRO 65 -11.882 1.676 -5.664 508 HG3 PRO 65 2HG PRO 65 -12.792 2.927 -6.530 509 HD2 PRO 65 1HD PRO 65 -12.949 2.607 -3.846 510 HD3 PRO 65 2HD PRO 65 -14.318 3.178 -4.822 511 H TYR 66 H TYR 66 -12.349 0.020 -3.859 512 HA TYR 66 HA TYR 66 -10.932 -2.176 -4.717 513 HB2 TYR 66 1HB TYR 66 -11.196 -1.742 -1.774 514 HB3 TYR 66 2HB TYR 66 -9.755 -2.050 -2.736 515 HD1 TYR 66 1HD TYR 66 -9.546 -0.028 -4.664 516 HD2 TYR 66 2HD TYR 66 -11.124 0.304 -0.727 517 HE1 TYR 66 1HE TYR 66 -9.027 2.376 -4.665 518 HE2 TYR 66 2HE TYR 66 -10.611 2.709 -0.718 519 HH TYR 66 HH TYR 66 -8.547 4.156 -2.713 520 H THR 67 H THR 67 -13.691 -2.086 -2.505 521 HA THR 67 HA THR 67 -14.807 -3.808 -1.436 522 HB THR 67 HB THR 67 -15.831 -3.544 -3.720 523 HG1 THR 67 1HG THR 67 -16.592 -5.024 -1.984 524 HG21 THR 67 3HG2 THR 67 -15.425 -5.208 -5.404 525 HG22 THR 67 1HG2 THR 67 -14.323 -6.084 -4.343 526 HG23 THR 67 2HG2 THR 67 -13.877 -4.492 -4.958 527 H ILE 68 H ILE 68 -11.923 -4.215 -1.446 528 HA ILE 68 HA ILE 68 -10.959 -6.646 -2.174 529 HB ILE 68 HB ILE 68 -10.517 -5.313 0.499 530 HG12 ILE 68 1HG1 ILE 68 -8.839 -5.193 -2.012 531 HG13 ILE 68 2HG1 ILE 68 -10.000 -3.953 -1.549 532 HG21 ILE 68 1HG2 ILE 68 -8.992 -7.496 -0.906 533 HG22 ILE 68 2HG2 ILE 68 -8.359 -6.576 0.458 534 HG23 ILE 68 3HG2 ILE 68 -9.794 -7.581 0.662 535 HD11 ILE 68 3HD1 ILE 68 -8.102 -4.602 0.561 536 HD12 ILE 68 1HD1 ILE 68 -7.347 -3.980 -0.906 537 HD13 ILE 68 2HD1 ILE 68 -8.594 -3.038 -0.088 538 H GLU 69 H GLU 69 -12.064 -8.506 -2.110 539 HA GLU 69 HA GLU 69 -13.559 -9.202 0.311 540 HB2 GLU 69 1HB GLU 69 -13.520 -10.624 -2.355 541 HB3 GLU 69 2HB GLU 69 -14.630 -10.917 -1.023 542 HG2 GLU 69 1HG GLU 69 -15.183 -8.366 -1.373 543 HG3 GLU 69 2HG GLU 69 -14.569 -8.696 -2.991 544 H ASN 70 H ASN 70 -10.754 -10.078 -1.534 545 HA ASN 70 HA ASN 70 -10.373 -12.637 -0.295 546 HB2 ASN 70 1HB ASN 70 -8.878 -10.933 -2.216 547 HB3 ASN 70 2HB ASN 70 -7.936 -12.096 -1.287 548 HD21 ASN 70 2HD2 ASN 70 -8.638 -14.451 -3.716 549 HD22 ASN 70 1HD2 ASN 70 -7.463 -13.544 -2.830 550 H SER 71 H SER 71 -10.353 -12.340 1.921 551 HA SER 71 HA SER 71 -9.310 -10.507 3.539 552 HB2 SER 71 1HB SER 71 -9.186 -13.500 3.744 553 HB3 SER 71 2HB SER 71 -8.462 -12.499 5.003 554 HG SER 71 HG SER 71 -10.770 -13.158 5.229 555 H SER 72 H SER 72 -7.306 -13.114 2.161 556 HA SER 72 HA SER 72 -4.859 -12.626 3.120 557 HB2 SER 72 1HB SER 72 -5.671 -14.135 1.107 558 HB3 SER 72 2HB SER 72 -5.026 -12.810 0.139 559 HG SER 72 HG SER 72 -3.053 -13.087 1.400 560 H HIS 73 H HIS 73 -6.305 -10.757 0.462 561 HA HIS 73 HA HIS 73 -4.192 -9.005 0.008 562 HB2 HIS 73 1HB HIS 73 -6.482 -9.328 -1.234 563 HB3 HIS 73 2HB HIS 73 -7.021 -8.033 -0.168 564 HD1 HIS 73 1HD HIS 73 -6.597 -5.729 -0.978 565 HD2 HIS 73 2HD HIS 73 -4.132 -8.509 -2.837 566 HE1 HIS 73 1HE HIS 73 -5.331 -4.441 -2.728 567 HE2 HIS 73 2HE HIS 73 -3.909 -6.160 -3.896 568 H ARG 74 H ARG 74 -6.912 -8.718 2.267 569 HA ARG 74 HA ARG 74 -6.205 -6.159 3.246 570 HB2 ARG 74 1HB ARG 74 -8.020 -8.352 4.144 571 HB3 ARG 74 2HB ARG 74 -7.620 -7.076 5.286 572 HG2 ARG 74 1HG ARG 74 -8.304 -5.518 3.283 573 HG3 ARG 74 2HG ARG 74 -9.204 -6.949 2.777 574 HD2 ARG 74 1HD ARG 74 -9.440 -5.474 5.395 575 HD3 ARG 74 2HD ARG 74 -10.641 -5.555 4.106 576 HE ARG 74 HE ARG 74 -9.897 -8.113 5.210 577 HH11 ARG 74 2HH1 ARG 74 -12.041 -5.379 5.438 578 HH12 ARG 74 1HH1 ARG 74 -13.281 -6.256 6.271 579 HH21 ARG 74 1HH2 ARG 74 -12.986 -8.474 6.764 580 HH22 ARG 74 2HH2 ARG 74 -11.523 -9.279 6.305 581 H ARG 75 H ARG 75 -5.610 -9.437 4.482 582 HA ARG 75 HA ARG 75 -4.268 -8.712 6.825 583 HB2 ARG 75 1HB ARG 75 -5.109 -11.016 6.149 584 HB3 ARG 75 2HB ARG 75 -3.646 -11.164 5.184 585 HG2 ARG 75 1HG ARG 75 -3.391 -10.443 8.058 586 HG3 ARG 75 2HG ARG 75 -3.768 -12.112 7.624 587 HD2 ARG 75 1HD ARG 75 -1.786 -12.226 6.233 588 HD3 ARG 75 2HD ARG 75 -1.431 -10.531 6.560 589 HE ARG 75 HE ARG 75 -1.545 -11.750 9.022 590 HH11 ARG 75 2HH1 ARG 75 0.317 -12.133 6.106 591 HH12 ARG 75 1HH1 ARG 75 1.726 -12.720 6.927 592 HH21 ARG 75 1HH2 ARG 75 1.715 -12.941 9.207 593 HH22 ARG 75 2HH2 ARG 75 0.302 -12.521 10.115 594 H VAL 76 H VAL 76 -3.020 -9.359 3.568 595 HA VAL 76 HA VAL 76 -0.289 -9.059 4.195 596 HB VAL 76 HB VAL 76 -1.699 -8.601 1.562 597 HG11 VAL 76 1HG1 VAL 76 0.990 -9.459 1.248 598 HG12 VAL 76 2HG1 VAL 76 0.249 -7.946 0.724 599 HG13 VAL 76 3HG1 VAL 76 0.982 -8.063 2.324 600 HG21 VAL 76 3HG2 VAL 76 -0.098 -11.025 2.272 601 HG22 VAL 76 1HG2 VAL 76 -1.782 -10.895 2.778 602 HG23 VAL 76 2HG2 VAL 76 -1.369 -10.837 1.064 603 H ILE 77 H ILE 77 -2.472 -6.770 2.538 604 HA ILE 77 HA ILE 77 -0.747 -4.600 2.468 605 HB ILE 77 HB ILE 77 -3.751 -4.718 2.606 606 HG12 ILE 77 1HG1 ILE 77 -1.939 -3.864 0.346 607 HG13 ILE 77 2HG1 ILE 77 -2.468 -5.528 0.572 608 HG21 ILE 77 1HG2 ILE 77 -1.955 -2.380 2.779 609 HG22 ILE 77 2HG2 ILE 77 -3.324 -2.244 1.677 610 HG23 ILE 77 3HG2 ILE 77 -3.597 -2.598 3.383 611 HD11 ILE 77 3HD1 ILE 77 -4.756 -4.901 0.252 612 HD12 ILE 77 1HD1 ILE 77 -4.325 -3.192 0.206 613 HD13 ILE 77 2HD1 ILE 77 -3.797 -4.270 -1.086 614 H LEU 78 H LEU 78 -3.359 -5.137 4.843 615 HA LEU 78 HA LEU 78 -2.772 -3.033 6.540 616 HB2 LEU 78 1HB LEU 78 -3.965 -5.739 7.063 617 HB3 LEU 78 2HB LEU 78 -3.805 -4.526 8.332 618 HG LEU 78 HG LEU 78 -5.292 -3.956 5.785 619 HD11 LEU 78 1HD1 LEU 78 -7.343 -4.453 7.236 620 HD12 LEU 78 2HD1 LEU 78 -6.239 -5.392 8.240 621 HD13 LEU 78 3HD1 LEU 78 -6.469 -5.821 6.545 622 HD21 LEU 78 3HD2 LEU 78 -6.505 -2.530 7.674 623 HD22 LEU 78 1HD2 LEU 78 -5.075 -1.947 6.823 624 HD23 LEU 78 2HD2 LEU 78 -4.915 -2.664 8.426 625 H THR 79 H THR 79 -1.945 -6.422 7.277 626 HA THR 79 HA THR 79 -0.291 -6.141 9.374 627 HB THR 79 HB THR 79 0.181 -7.945 6.996 628 HG1 THR 79 1HG THR 79 -1.419 -9.005 7.869 629 HG21 THR 79 3HG2 THR 79 1.289 -9.261 9.070 630 HG22 THR 79 1HG2 THR 79 1.666 -7.601 9.527 631 HG23 THR 79 2HG2 THR 79 2.206 -8.232 7.971 632 H GLU 80 H GLU 80 1.013 -6.182 6.049 633 HA GLU 80 HA GLU 80 3.588 -5.378 6.656 634 HB2 GLU 80 1HB GLU 80 1.918 -4.926 4.187 635 HB3 GLU 80 2HB GLU 80 3.611 -4.465 4.279 636 HG2 GLU 80 1HG GLU 80 2.846 -7.253 4.974 637 HG3 GLU 80 2HG GLU 80 2.883 -6.772 3.279 638 H LEU 81 H LEU 81 0.797 -3.347 5.814 639 HA LEU 81 HA LEU 81 2.056 -0.871 5.846 640 HB2 LEU 81 1HB LEU 81 -0.696 -1.859 6.128 641 HB3 LEU 81 2HB LEU 81 -0.401 -0.274 6.840 642 HG LEU 81 HG LEU 81 0.236 -0.959 3.975 643 HD11 LEU 81 1HD1 LEU 81 -2.180 0.510 5.010 644 HD12 LEU 81 2HD1 LEU 81 -2.191 -1.176 4.496 645 HD13 LEU 81 3HD1 LEU 81 -1.810 0.096 3.336 646 HD21 LEU 81 3HD2 LEU 81 -0.273 1.768 4.333 647 HD22 LEU 81 1HD2 LEU 81 1.283 0.998 4.024 648 HD23 LEU 81 2HD2 LEU 81 0.760 1.295 5.682 649 H GLU 82 H GLU 82 0.980 -2.889 8.488 650 HA GLU 82 HA GLU 82 1.203 -0.872 10.503 651 HB2 GLU 82 1HB GLU 82 -0.256 -2.723 10.926 652 HB3 GLU 82 2HB GLU 82 1.034 -3.882 10.637 653 HG2 GLU 82 1HG GLU 82 2.005 -3.525 12.680 654 HG3 GLU 82 2HG GLU 82 1.355 -1.893 12.826 655 H ARG 83 H ARG 83 3.443 -2.763 8.795 656 HA ARG 83 HA ARG 83 5.470 -2.617 10.893 657 HB2 ARG 83 1HB ARG 83 5.622 -3.835 8.130 658 HB3 ARG 83 2HB ARG 83 6.846 -3.970 9.385 659 HG2 ARG 83 1HG ARG 83 4.803 -4.954 10.753 660 HG3 ARG 83 2HG ARG 83 4.229 -5.334 9.128 661 HD2 ARG 83 1HD ARG 83 7.042 -5.998 9.840 662 HD3 ARG 83 2HD ARG 83 5.750 -7.012 10.481 663 HE ARG 83 HE ARG 83 5.310 -6.708 7.747 664 HH11 ARG 83 2HH1 ARG 83 7.666 -8.129 9.879 665 HH12 ARG 83 1HH1 ARG 83 8.126 -9.367 8.758 666 HH21 ARG 83 1HH2 ARG 83 7.125 -9.481 6.700 667 HH22 ARG 83 2HH2 ARG 83 5.907 -8.333 6.262 668 H VAL 84 H VAL 84 5.160 -1.706 7.458 669 HA VAL 84 HA VAL 84 7.481 -0.245 7.181 670 HB VAL 84 HB VAL 84 6.235 1.094 5.446 671 HG11 VAL 84 1HG1 VAL 84 7.390 -1.104 5.048 672 HG12 VAL 84 2HG1 VAL 84 5.810 -1.876 5.195 673 HG13 VAL 84 3HG1 VAL 84 6.106 -0.710 3.905 674 HG21 VAL 84 3HG2 VAL 84 4.037 1.140 6.385 675 HG22 VAL 84 1HG2 VAL 84 3.956 0.237 4.873 676 HG23 VAL 84 2HG2 VAL 84 3.952 -0.621 6.413 677 H ARG 85 H ARG 85 4.343 0.835 8.418 678 HA ARG 85 HA ARG 85 4.981 3.557 8.695 679 HB2 ARG 85 1HB ARG 85 3.061 3.689 10.177 680 HB3 ARG 85 2HB ARG 85 2.682 2.666 8.797 681 HG2 ARG 85 1HG ARG 85 3.095 0.678 10.187 682 HG3 ARG 85 2HG ARG 85 3.396 1.733 11.569 683 HD2 ARG 85 1HD ARG 85 1.105 0.829 11.552 684 HD3 ARG 85 2HD ARG 85 1.139 2.589 11.454 685 HE ARG 85 HE ARG 85 0.999 1.273 8.898 686 HH11 ARG 85 2HH1 ARG 85 -0.819 2.544 11.581 687 HH12 ARG 85 1HH1 ARG 85 -2.266 2.778 10.658 688 HH21 ARG 85 1HH2 ARG 85 -2.312 2.226 8.435 689 HH22 ARG 85 2HH2 ARG 85 -0.900 1.577 7.672 690 H SER 86 H SER 86 5.209 0.863 10.997 691 HA SER 86 HA SER 86 5.888 2.033 13.318 692 HB2 SER 86 1HB SER 86 7.746 -0.130 12.455 693 HB3 SER 86 2HB SER 86 6.833 0.037 13.954 694 HG SER 86 HG SER 86 5.055 -0.758 12.977 695 H GLY 87 H GLY 87 8.521 1.005 11.145 696 HA2 GLY 87 1HA GLY 87 10.136 2.645 10.325 697 HA3 GLY 87 2HA GLY 87 9.929 3.505 11.843 698 HA PRO 88 HA PRO 88 13.597 1.476 13.199 699 HB2 PRO 88 2HB PRO 88 13.840 3.234 14.658 700 HB3 PRO 88 1HB PRO 88 13.373 2.015 15.851 701 HG2 PRO 88 1HG PRO 88 11.167 2.736 15.910 702 HG3 PRO 88 2HG PRO 88 11.987 4.277 15.599 703 HD2 PRO 88 1HD PRO 88 10.026 3.322 13.996 704 HD3 PRO 88 2HD PRO 88 11.371 4.301 13.378 705 H SER 89 H SER 89 10.419 0.647 14.268 706 HA SER 89 HA SER 89 11.109 -1.498 15.998 707 HB2 SER 89 1HB SER 89 8.604 -0.609 14.616 708 HB3 SER 89 2HB SER 89 8.656 -2.208 15.357 709 HG SER 89 HG SER 89 9.009 -1.285 17.327 710 H SER 90 H SER 90 9.669 -1.596 12.733 711 HA SER 90 HA SER 90 10.962 -4.215 12.348 712 HB2 SER 90 1HB SER 90 9.197 -4.796 10.838 713 HB3 SER 90 2HB SER 90 8.435 -4.112 12.274 714 HG SER 90 HG SER 90 7.500 -2.835 10.894 715 H GLY 91 H GLY 91 11.764 -4.716 10.206 716 HA2 GLY 91 1HA GLY 91 11.986 -2.937 8.084 717 HA3 GLY 91 2HA GLY 91 13.355 -2.622 9.141 Start of MODEL 20 1 H1 GLY 1 H GLY 1 5.056 22.385 -10.420 2 HA2 GLY 1 1HA GLY 1 6.627 21.121 -12.321 3 HA3 GLY 1 2HA GLY 1 7.208 21.656 -10.751 4 H SER 2 H SER 2 6.005 18.961 -12.607 5 HA SER 2 HA SER 2 5.992 17.071 -10.481 6 HB2 SER 2 1HB SER 2 4.678 16.526 -12.381 7 HB3 SER 2 2HB SER 2 6.026 16.796 -13.486 8 HG SER 2 HG SER 2 5.771 14.593 -13.188 9 H SER 3 H SER 3 7.775 16.596 -9.377 10 HA SER 3 HA SER 3 10.154 15.766 -10.865 11 HB2 SER 3 1HB SER 3 10.621 18.076 -10.273 12 HB3 SER 3 2HB SER 3 10.173 17.770 -8.595 13 HG SER 3 HG SER 3 12.148 16.144 -9.679 14 H GLY 4 H GLY 4 10.998 13.929 -10.102 15 HA2 GLY 4 1HA GLY 4 11.596 13.006 -7.700 16 HA3 GLY 4 2HA GLY 4 9.850 12.811 -7.657 17 H SER 5 H SER 5 12.794 11.835 -9.332 18 HA SER 5 HA SER 5 11.363 9.454 -10.313 19 HB2 SER 5 1HB SER 5 12.449 11.136 -11.976 20 HB3 SER 5 2HB SER 5 13.971 10.402 -11.469 21 HG SER 5 HG SER 5 13.473 8.630 -12.513 22 H SER 6 H SER 6 11.695 8.020 -8.683 23 HA SER 6 HA SER 6 14.291 6.844 -8.457 24 HB2 SER 6 1HB SER 6 14.493 8.794 -6.904 25 HB3 SER 6 2HB SER 6 13.161 8.128 -5.960 26 HG SER 6 HG SER 6 15.376 6.507 -6.531 27 H GLY 7 H GLY 7 14.267 4.836 -7.330 28 HA2 GLY 7 1HA GLY 7 11.972 3.845 -5.987 29 HA3 GLY 7 2HA GLY 7 11.971 3.308 -7.661 30 H GLU 8 H GLU 8 13.307 2.874 -4.532 31 HA GLU 8 HA GLU 8 14.728 0.505 -5.489 32 HB2 GLU 8 1HB GLU 8 15.956 2.726 -3.863 33 HB3 GLU 8 2HB GLU 8 16.626 1.101 -3.891 34 HG2 GLU 8 1HG GLU 8 16.418 3.072 -6.138 35 HG3 GLU 8 2HG GLU 8 17.861 2.318 -5.463 36 H HIS 9 H HIS 9 14.262 -1.208 -4.279 37 HA HIS 9 HA HIS 9 12.476 -1.150 -2.147 38 HB2 HIS 9 1HB HIS 9 12.980 -3.483 -1.827 39 HB3 HIS 9 2HB HIS 9 13.007 -3.146 -3.556 40 HD1 HIS 9 1HD HIS 9 15.481 -2.863 -4.607 41 HD2 HIS 9 2HD HIS 9 15.249 -4.636 -0.858 42 HE1 HIS 9 1HE HIS 9 17.685 -4.028 -4.278 43 HE2 HIS 9 2HE HIS 9 17.489 -5.165 -2.039 44 H GLY 10 H GLY 10 12.868 -0.003 -0.345 45 HA2 GLY 10 1HA GLY 10 14.407 -0.851 1.730 46 HA3 GLY 10 2HA GLY 10 15.503 0.170 0.810 47 H LEU 11 H LEU 11 14.882 2.410 0.467 48 HA LEU 11 HA LEU 11 14.392 3.884 2.639 49 HB2 LEU 11 1HB LEU 11 14.102 5.680 1.282 50 HB3 LEU 11 2HB LEU 11 14.725 4.528 0.102 51 HG LEU 11 HG LEU 11 11.773 4.903 0.481 52 HD11 LEU 11 1HD1 LEU 11 13.029 6.364 -1.730 53 HD12 LEU 11 2HD1 LEU 11 13.351 7.024 -0.127 54 HD13 LEU 11 3HD1 LEU 11 11.689 6.820 -0.678 55 HD21 LEU 11 3HD2 LEU 11 11.579 3.889 -1.597 56 HD22 LEU 11 1HD2 LEU 11 12.907 3.001 -0.850 57 HD23 LEU 11 2HD2 LEU 11 13.246 4.254 -2.045 58 H LEU 12 H LEU 12 11.954 2.194 0.787 59 HA LEU 12 HA LEU 12 9.582 3.224 1.401 60 HB2 LEU 12 1HB LEU 12 10.549 0.416 1.425 61 HB3 LEU 12 2HB LEU 12 8.928 0.732 2.041 62 HG LEU 12 HG LEU 12 9.008 0.021 -0.344 63 HD11 LEU 12 1HD1 LEU 12 7.950 2.812 0.063 64 HD12 LEU 12 2HD1 LEU 12 7.147 1.344 0.620 65 HD13 LEU 12 3HD1 LEU 12 7.386 1.618 -1.106 66 HD21 LEU 12 3HD2 LEU 12 9.940 1.337 -2.019 67 HD22 LEU 12 1HD2 LEU 12 11.152 1.396 -0.739 68 HD23 LEU 12 2HD2 LEU 12 10.055 2.756 -0.977 69 H VAL 13 H VAL 13 11.174 1.002 3.699 70 HA VAL 13 HA VAL 13 9.430 1.566 5.838 71 HB VAL 13 HB VAL 13 11.223 0.557 7.276 72 HG11 VAL 13 1HG1 VAL 13 11.186 -1.677 5.909 73 HG12 VAL 13 2HG1 VAL 13 9.696 -1.016 6.583 74 HG13 VAL 13 3HG1 VAL 13 10.071 -0.785 4.875 75 HG21 VAL 13 3HG2 VAL 13 12.766 1.033 4.852 76 HG22 VAL 13 1HG2 VAL 13 13.312 0.736 6.503 77 HG23 VAL 13 2HG2 VAL 13 12.913 -0.620 5.448 78 H HIS 14 H HIS 14 12.555 2.924 4.903 79 HA HIS 14 HA HIS 14 13.012 4.482 7.187 80 HB2 HIS 14 1HB HIS 14 13.851 4.983 4.324 81 HB3 HIS 14 2HB HIS 14 14.505 5.824 5.727 82 HD1 HIS 14 1HD HIS 14 16.368 4.695 6.982 83 HD2 HIS 14 2HD HIS 14 14.553 2.190 4.209 84 HE1 HIS 14 1HE HIS 14 17.806 2.633 6.896 85 HE2 HIS 14 2HE HIS 14 16.735 1.168 5.150 86 H LYS 15 H LYS 15 11.991 5.753 4.017 87 HA LYS 15 HA LYS 15 11.067 8.203 5.050 88 HB2 LYS 15 1HB LYS 15 11.636 8.114 2.745 89 HB3 LYS 15 2HB LYS 15 10.550 6.763 2.454 90 HG2 LYS 15 1HG LYS 15 8.668 8.363 3.096 91 HG3 LYS 15 2HG LYS 15 9.868 9.645 2.914 92 HD2 LYS 15 1HD LYS 15 10.322 8.611 0.605 93 HD3 LYS 15 2HD LYS 15 8.790 7.765 0.836 94 HE2 LYS 15 1HE LYS 15 7.563 9.752 0.862 95 HE3 LYS 15 2HE LYS 15 8.989 10.736 1.189 96 HZ1 LYS 15 3HZ LYS 15 9.153 9.273 -1.279 97 HZ2 LYS 15 1HZ LYS 15 9.442 10.912 -0.972 98 HZ3 LYS 15 2HZ LYS 15 7.863 10.368 -1.243 99 H ALA 16 H ALA 16 9.115 8.880 5.768 100 HA ALA 16 HA ALA 16 7.294 7.081 6.860 101 HB1 ALA 16 3HB ALA 16 7.209 10.005 6.269 102 HB2 ALA 16 1HB ALA 16 5.745 9.183 6.811 103 HB3 ALA 16 2HB ALA 16 7.191 9.169 7.822 104 H VAL 17 H VAL 17 5.505 6.074 6.138 105 HA VAL 17 HA VAL 17 5.058 5.762 3.378 106 HB VAL 17 HB VAL 17 3.293 5.068 5.727 107 HG11 VAL 17 1HG1 VAL 17 2.732 5.032 2.892 108 HG12 VAL 17 2HG1 VAL 17 2.634 3.415 3.591 109 HG13 VAL 17 3HG1 VAL 17 1.658 4.725 4.257 110 HG21 VAL 17 3HG2 VAL 17 5.690 3.973 4.913 111 HG22 VAL 17 1HG2 VAL 17 4.482 3.188 5.930 112 HG23 VAL 17 2HG2 VAL 17 4.487 2.906 4.189 113 H ASP 18 H ASP 18 3.705 7.942 5.739 114 HA ASP 18 HA ASP 18 1.435 8.743 4.231 115 HB2 ASP 18 1HB ASP 18 1.010 10.226 5.937 116 HB3 ASP 18 2HB ASP 18 2.066 9.095 6.778 117 H LYS 19 H LYS 19 4.605 9.084 3.518 118 HA LYS 19 HA LYS 19 4.207 11.669 2.161 119 HB2 LYS 19 1HB LYS 19 6.567 10.416 3.464 120 HB3 LYS 19 2HB LYS 19 6.864 11.368 2.015 121 HG2 LYS 19 1HG LYS 19 7.143 12.859 3.792 122 HG3 LYS 19 2HG LYS 19 5.541 13.220 3.145 123 HD2 LYS 19 1HD LYS 19 4.460 12.137 4.935 124 HD3 LYS 19 2HD LYS 19 5.943 11.327 5.446 125 HE2 LYS 19 1HE LYS 19 5.655 13.049 7.003 126 HE3 LYS 19 2HE LYS 19 6.859 13.675 5.878 127 HZ1 LYS 19 3HZ LYS 19 4.967 15.210 6.540 128 HZ2 LYS 19 1HZ LYS 19 3.981 14.261 5.545 129 HZ3 LYS 19 2HZ LYS 19 5.306 15.081 4.888 130 H TRP 20 H TRP 20 4.171 8.436 1.616 131 HA TRP 20 HA TRP 20 5.718 8.139 -0.723 132 HB2 TRP 20 1HB TRP 20 3.287 6.636 0.261 133 HB3 TRP 20 2HB TRP 20 4.229 6.154 -1.147 134 HD1 TRP 20 HD TRP 20 6.680 7.400 1.213 135 HE1 TRP 20 1HE TRP 20 7.751 5.489 2.565 136 HE3 TRP 20 3HE TRP 20 3.341 3.678 0.146 137 HZ2 TRP 20 2HZ TRP 20 7.247 2.765 3.108 138 HZ3 TRP 20 3HZ TRP 20 3.708 1.449 1.121 139 HH2 TRP 20 HH TRP 20 5.621 1.004 2.570 140 H THR 21 H THR 21 4.842 7.749 -2.914 141 HA THR 21 HA THR 21 2.638 9.613 -3.515 142 HB THR 21 HB THR 21 3.749 9.840 -5.787 143 HG1 THR 21 1HG THR 21 5.274 8.327 -5.949 144 HG21 THR 21 3HG2 THR 21 5.288 11.542 -5.037 145 HG22 THR 21 1HG2 THR 21 5.363 10.820 -3.431 146 HG23 THR 21 2HG2 THR 21 3.865 11.560 -3.996 147 H THR 22 H THR 22 1.334 9.112 -5.386 148 HA THR 22 HA THR 22 0.119 6.722 -5.451 149 HB THR 22 HB THR 22 0.651 8.029 -8.099 150 HG1 THR 22 1HG THR 22 -0.692 9.703 -7.556 151 HG21 THR 22 3HG2 THR 22 -0.843 6.002 -7.803 152 HG22 THR 22 1HG2 THR 22 -1.579 7.393 -8.598 153 HG23 THR 22 2HG2 THR 22 -1.937 7.053 -6.904 154 H GLU 23 H GLU 23 3.246 7.417 -6.801 155 HA GLU 23 HA GLU 23 3.406 5.004 -8.358 156 HB2 GLU 23 1HB GLU 23 4.698 7.304 -8.595 157 HB3 GLU 23 2HB GLU 23 5.842 6.512 -7.521 158 HG2 GLU 23 1HG GLU 23 6.324 4.836 -9.077 159 HG3 GLU 23 2HG GLU 23 4.894 5.200 -10.041 160 H GLU 24 H GLU 24 5.084 6.156 -5.426 161 HA GLU 24 HA GLU 24 6.372 3.739 -4.839 162 HB2 GLU 24 1HB GLU 24 5.509 5.974 -2.997 163 HB3 GLU 24 2HB GLU 24 6.581 4.661 -2.529 164 HG2 GLU 24 1HG GLU 24 8.072 5.406 -4.448 165 HG3 GLU 24 2HG GLU 24 7.084 6.865 -4.498 166 H VAL 25 H VAL 25 3.244 5.016 -3.777 167 HA VAL 25 HA VAL 25 2.509 3.177 -1.885 168 HB VAL 25 HB VAL 25 0.804 4.479 -4.006 169 HG11 VAL 25 1HG1 VAL 25 -0.118 2.991 -1.549 170 HG12 VAL 25 2HG1 VAL 25 -1.143 3.852 -2.699 171 HG13 VAL 25 3HG1 VAL 25 -0.262 2.411 -3.208 172 HG21 VAL 25 3HG2 VAL 25 0.261 5.368 -1.366 173 HG22 VAL 25 1HG2 VAL 25 2.008 5.404 -1.605 174 HG23 VAL 25 2HG2 VAL 25 0.948 6.278 -2.711 175 H VAL 26 H VAL 26 2.045 2.880 -5.402 176 HA VAL 26 HA VAL 26 0.952 0.253 -5.256 177 HB VAL 26 HB VAL 26 2.158 1.740 -7.592 178 HG11 VAL 26 1HG1 VAL 26 2.273 -0.592 -8.085 179 HG12 VAL 26 2HG1 VAL 26 0.634 -0.857 -7.485 180 HG13 VAL 26 3HG1 VAL 26 0.895 0.071 -8.963 181 HG21 VAL 26 3HG2 VAL 26 -0.137 2.311 -6.243 182 HG22 VAL 26 1HG2 VAL 26 0.154 2.691 -7.940 183 HG23 VAL 26 2HG2 VAL 26 -0.727 1.228 -7.503 184 H LEU 27 H LEU 27 4.182 1.558 -5.702 185 HA LEU 27 HA LEU 27 5.483 -0.763 -6.569 186 HB2 LEU 27 1HB LEU 27 6.300 1.758 -5.240 187 HB3 LEU 27 2HB LEU 27 7.442 0.416 -5.198 188 HG LEU 27 HG LEU 27 6.318 1.738 -7.667 189 HD11 LEU 27 1HD1 LEU 27 8.736 2.117 -6.054 190 HD12 LEU 27 2HD1 LEU 27 7.945 3.205 -7.194 191 HD13 LEU 27 3HD1 LEU 27 9.024 1.941 -7.785 192 HD21 LEU 27 3HD2 LEU 27 6.610 -0.479 -8.308 193 HD22 LEU 27 1HD2 LEU 27 8.019 -0.697 -7.270 194 HD23 LEU 27 2HD2 LEU 27 8.147 0.272 -8.738 195 H TRP 28 H TRP 28 5.104 0.522 -3.269 196 HA TRP 28 HA TRP 28 6.434 -1.506 -1.908 197 HB2 TRP 28 1HB TRP 28 5.911 0.361 -0.610 198 HB3 TRP 28 2HB TRP 28 4.233 0.386 -1.145 199 HD1 TRP 28 HD TRP 28 6.560 -1.476 1.286 200 HE1 TRP 28 1HE TRP 28 5.111 -2.600 3.093 201 HE3 TRP 28 3HE TRP 28 1.933 -0.481 -0.647 202 HZ2 TRP 28 2HZ TRP 28 2.370 -3.011 3.627 203 HZ3 TRP 28 3HZ TRP 28 -0.051 -1.275 0.573 204 HH2 TRP 28 HH TRP 28 0.165 -2.514 2.665 205 H LEU 29 H LEU 29 3.073 -1.321 -2.979 206 HA LEU 29 HA LEU 29 2.279 -3.759 -1.724 207 HB2 LEU 29 1HB LEU 29 0.567 -2.207 -2.161 208 HB3 LEU 29 2HB LEU 29 1.065 -2.010 -3.840 209 HG LEU 29 HG LEU 29 0.368 -4.512 -4.055 210 HD11 LEU 29 1HD1 LEU 29 -0.242 -5.346 -2.056 211 HD12 LEU 29 2HD1 LEU 29 -1.786 -4.584 -2.437 212 HD13 LEU 29 3HD1 LEU 29 -0.631 -3.759 -1.390 213 HD21 LEU 29 3HD2 LEU 29 -1.103 -2.008 -4.227 214 HD22 LEU 29 1HD2 LEU 29 -2.153 -3.407 -3.998 215 HD23 LEU 29 2HD2 LEU 29 -1.030 -3.360 -5.358 216 H GLU 30 H GLU 30 3.760 -2.923 -4.747 217 HA GLU 30 HA GLU 30 3.143 -5.386 -6.078 218 HB2 GLU 30 1HB GLU 30 4.846 -3.008 -6.653 219 HB3 GLU 30 2HB GLU 30 5.193 -4.498 -7.520 220 HG2 GLU 30 1HG GLU 30 2.767 -4.542 -8.186 221 HG3 GLU 30 2HG GLU 30 2.644 -2.910 -7.532 222 H GLN 31 H GLN 31 4.884 -4.944 -3.431 223 HA GLN 31 HA GLN 31 7.031 -6.803 -4.202 224 HB2 GLN 31 1HB GLN 31 6.812 -4.737 -2.034 225 HB3 GLN 31 2HB GLN 31 7.962 -6.060 -1.896 226 HG2 GLN 31 1HG GLN 31 9.114 -5.369 -3.858 227 HG3 GLN 31 2HG GLN 31 7.863 -4.189 -4.245 228 HE21 GLN 31 2HE2 GLN 31 9.055 -1.719 -2.085 229 HE22 GLN 31 1HE2 GLN 31 7.735 -2.281 -3.047 230 H LEU 32 H LEU 32 4.239 -6.379 -2.203 231 HA LEU 32 HA LEU 32 4.740 -8.459 -0.345 232 HB2 LEU 32 1HB LEU 32 1.977 -7.700 -1.179 233 HB3 LEU 32 2HB LEU 32 2.586 -8.120 0.420 234 HG LEU 32 HG LEU 32 2.953 -5.512 -1.047 235 HD11 LEU 32 1HD1 LEU 32 0.762 -5.981 0.083 236 HD12 LEU 32 2HD1 LEU 32 1.627 -4.565 0.679 237 HD13 LEU 32 3HD1 LEU 32 1.645 -6.064 1.607 238 HD21 LEU 32 3HD2 LEU 32 4.633 -4.936 0.307 239 HD22 LEU 32 1HD2 LEU 32 4.799 -6.662 0.634 240 HD23 LEU 32 2HD2 LEU 32 3.853 -5.646 1.722 241 H GLY 33 H GLY 33 3.477 -8.387 -3.590 242 HA2 GLY 33 1HA GLY 33 3.858 -11.123 -4.033 243 HA3 GLY 33 2HA GLY 33 2.169 -10.885 -3.610 244 HA PRO 34 HA PRO 34 3.099 -10.000 -8.197 245 HB2 PRO 34 2HB PRO 34 3.768 -12.114 -8.801 246 HB3 PRO 34 1HB PRO 34 2.068 -12.276 -9.259 247 HG2 PRO 34 1HG PRO 34 1.516 -13.396 -7.302 248 HG3 PRO 34 2HG PRO 34 3.180 -13.968 -7.527 249 HD2 PRO 34 1HD PRO 34 2.351 -12.751 -5.253 250 HD3 PRO 34 2HD PRO 34 4.008 -12.595 -5.871 251 H TRP 35 H TRP 35 0.433 -11.214 -6.320 252 HA TRP 35 HA TRP 35 -1.624 -10.704 -8.213 253 HB2 TRP 35 1HB TRP 35 -3.110 -10.776 -6.145 254 HB3 TRP 35 2HB TRP 35 -2.147 -12.216 -6.465 255 HD1 TRP 35 HD TRP 35 -0.790 -13.102 -4.480 256 HE1 TRP 35 1HE TRP 35 -0.060 -12.176 -2.192 257 HE3 TRP 35 3HE TRP 35 -2.438 -8.289 -4.989 258 HZ2 TRP 35 2HZ TRP 35 -0.169 -9.729 -0.788 259 HZ3 TRP 35 3HZ TRP 35 -2.087 -6.719 -3.127 260 HH2 TRP 35 HH TRP 35 -0.976 -7.426 -1.071 261 H ALA 36 H ALA 36 0.289 -8.667 -6.289 262 HA ALA 36 HA ALA 36 -1.412 -6.584 -5.610 263 HB1 ALA 36 3HB ALA 36 0.698 -5.147 -5.919 264 HB2 ALA 36 1HB ALA 36 0.741 -6.453 -4.734 265 HB3 ALA 36 2HB ALA 36 1.500 -6.667 -6.312 266 H SER 37 H SER 37 0.131 -7.319 -8.690 267 HA SER 37 HA SER 37 -0.490 -4.896 -9.995 268 HB2 SER 37 1HB SER 37 1.127 -6.794 -10.713 269 HB3 SER 37 2HB SER 37 -0.302 -7.530 -11.438 270 HG SER 37 HG SER 37 1.219 -5.627 -12.446 271 H LEU 38 H LEU 38 -2.478 -7.400 -8.938 272 HA LEU 38 HA LEU 38 -4.494 -7.105 -10.996 273 HB2 LEU 38 1HB LEU 38 -4.600 -8.579 -8.368 274 HB3 LEU 38 2HB LEU 38 -5.782 -8.695 -9.670 275 HG LEU 38 HG LEU 38 -2.905 -9.488 -10.044 276 HD11 LEU 38 1HD1 LEU 38 -4.952 -11.572 -9.604 277 HD12 LEU 38 2HD1 LEU 38 -4.394 -10.696 -8.180 278 HD13 LEU 38 3HD1 LEU 38 -3.237 -11.557 -9.195 279 HD21 LEU 38 3HD2 LEU 38 -5.453 -9.780 -11.568 280 HD22 LEU 38 1HD2 LEU 38 -4.200 -11.010 -11.733 281 HD23 LEU 38 2HD2 LEU 38 -3.845 -9.329 -12.136 282 H TYR 39 H TYR 39 -3.643 -5.548 -8.105 283 HA TYR 39 HA TYR 39 -6.320 -4.330 -7.913 284 HB2 TYR 39 1HB TYR 39 -4.238 -4.518 -5.727 285 HB3 TYR 39 2HB TYR 39 -5.875 -3.889 -5.568 286 HD1 TYR 39 1HD TYR 39 -3.923 -6.972 -6.221 287 HD2 TYR 39 2HD TYR 39 -7.688 -5.329 -5.114 288 HE1 TYR 39 1HE TYR 39 -4.721 -9.220 -5.622 289 HE2 TYR 39 2HE TYR 39 -8.496 -7.572 -4.511 290 HH TYR 39 HH TYR 39 -6.486 -10.447 -5.015 291 H ARG 40 H ARG 40 -2.886 -3.787 -8.158 292 HA ARG 40 HA ARG 40 -2.471 -1.209 -7.502 293 HB2 ARG 40 1HB ARG 40 -0.726 -1.121 -9.084 294 HB3 ARG 40 2HB ARG 40 -0.877 -2.822 -8.666 295 HG2 ARG 40 1HG ARG 40 -2.197 -3.181 -10.715 296 HG3 ARG 40 2HG ARG 40 -1.951 -1.486 -11.141 297 HD2 ARG 40 1HD ARG 40 0.423 -3.181 -10.533 298 HD3 ARG 40 2HD ARG 40 -0.381 -3.372 -12.090 299 HE ARG 40 HE ARG 40 0.217 -0.641 -11.437 300 HH11 ARG 40 2HH1 ARG 40 1.454 -3.583 -12.828 301 HH12 ARG 40 1HH1 ARG 40 2.638 -2.778 -13.802 302 HH21 ARG 40 1HH2 ARG 40 2.820 -0.495 -13.737 303 HH22 ARG 40 2HH2 ARG 40 1.773 0.430 -12.715 304 H ASP 41 H ASP 41 -4.269 -2.341 -10.307 305 HA ASP 41 HA ASP 41 -4.539 -0.012 -11.758 306 HB2 ASP 41 1HB ASP 41 -6.542 -2.227 -11.292 307 HB3 ASP 41 2HB ASP 41 -6.761 -0.951 -12.486 308 H ARG 42 H ARG 42 -6.473 -1.101 -8.990 309 HA ARG 42 HA ARG 42 -8.237 1.120 -9.004 310 HB2 ARG 42 1HB ARG 42 -7.556 -0.522 -6.573 311 HB3 ARG 42 2HB ARG 42 -9.069 0.291 -6.950 312 HG2 ARG 42 1HG ARG 42 -9.446 -1.293 -8.787 313 HG3 ARG 42 2HG ARG 42 -7.950 -2.124 -8.357 314 HD2 ARG 42 1HD ARG 42 -10.261 -1.740 -6.463 315 HD3 ARG 42 2HD ARG 42 -10.042 -3.175 -7.463 316 HE ARG 42 HE ARG 42 -8.322 -3.853 -6.083 317 HH11 ARG 42 2HH1 ARG 42 -9.287 -0.603 -5.292 318 HH12 ARG 42 1HH1 ARG 42 -8.381 -0.554 -3.816 319 HH21 ARG 42 1HH2 ARG 42 -7.152 -2.374 -3.163 320 HH22 ARG 42 2HH2 ARG 42 -7.126 -3.802 -4.142 321 H PHE 43 H PHE 43 -5.098 0.531 -7.600 322 HA PHE 43 HA PHE 43 -5.116 2.678 -5.747 323 HB2 PHE 43 1HB PHE 43 -2.941 1.026 -7.005 324 HB3 PHE 43 2HB PHE 43 -2.552 2.394 -5.966 325 HD1 PHE 43 2HD PHE 43 -4.817 -0.575 -5.935 326 HD2 PHE 43 1HD PHE 43 -2.139 1.924 -3.767 327 HE1 PHE 43 2HE PHE 43 -5.088 -2.009 -3.954 328 HE2 PHE 43 1HE PHE 43 -2.405 0.493 -1.782 329 HZ PHE 43 HZ PHE 43 -3.882 -1.475 -1.874 330 H LEU 44 H LEU 44 -3.716 2.351 -9.003 331 HA LEU 44 HA LEU 44 -2.759 5.000 -9.167 332 HB2 LEU 44 1HB LEU 44 -3.439 2.946 -11.253 333 HB3 LEU 44 2HB LEU 44 -2.796 4.535 -11.664 334 HG LEU 44 HG LEU 44 -0.958 3.073 -11.720 335 HD11 LEU 44 1HD1 LEU 44 -0.814 4.242 -8.954 336 HD12 LEU 44 2HD1 LEU 44 -0.677 5.214 -10.419 337 HD13 LEU 44 3HD1 LEU 44 0.507 3.950 -10.086 338 HD21 LEU 44 3HD2 LEU 44 -2.038 1.194 -10.555 339 HD22 LEU 44 1HD2 LEU 44 -1.796 2.026 -9.018 340 HD23 LEU 44 2HD2 LEU 44 -0.404 1.498 -9.964 341 H SER 45 H SER 45 -5.654 3.498 -10.608 342 HA SER 45 HA SER 45 -6.749 5.739 -11.792 343 HB2 SER 45 1HB SER 45 -7.536 3.217 -11.713 344 HB3 SER 45 2HB SER 45 -8.578 3.809 -10.419 345 HG SER 45 HG SER 45 -9.827 4.435 -11.982 346 H GLU 46 H GLU 46 -7.109 4.614 -8.451 347 HA GLU 46 HA GLU 46 -8.755 6.898 -7.759 348 HB2 GLU 46 1HB GLU 46 -7.681 4.582 -6.149 349 HB3 GLU 46 2HB GLU 46 -8.619 5.890 -5.442 350 HG2 GLU 46 1HG GLU 46 -9.564 4.046 -7.625 351 HG3 GLU 46 2HG GLU 46 -9.984 3.919 -5.918 352 H ARG 47 H ARG 47 -5.616 6.650 -8.372 353 HA ARG 47 HA ARG 47 -3.687 7.655 -7.661 354 HB2 ARG 47 1HB ARG 47 -5.581 9.854 -6.824 355 HB3 ARG 47 2HB ARG 47 -3.892 10.024 -7.283 356 HG2 ARG 47 1HG ARG 47 -5.765 8.843 -9.261 357 HG3 ARG 47 2HG ARG 47 -5.851 10.579 -8.954 358 HD2 ARG 47 1HD ARG 47 -3.368 9.058 -9.740 359 HD3 ARG 47 2HD ARG 47 -4.353 10.036 -10.827 360 HE ARG 47 HE ARG 47 -3.526 11.584 -8.617 361 HH11 ARG 47 2HH1 ARG 47 -2.302 10.133 -11.536 362 HH12 ARG 47 1HH1 ARG 47 -1.042 11.304 -11.744 363 HH21 ARG 47 1HH2 ARG 47 -0.796 13.008 -10.232 364 HH22 ARG 47 2HH2 ARG 47 -1.870 13.131 -8.880 365 H VAL 48 H VAL 48 -4.733 5.890 -5.736 366 HA VAL 48 HA VAL 48 -4.918 6.990 -3.152 367 HB VAL 48 HB VAL 48 -3.929 4.227 -3.864 368 HG11 VAL 48 1HG1 VAL 48 -5.524 4.326 -1.512 369 HG12 VAL 48 2HG1 VAL 48 -3.825 3.878 -1.675 370 HG13 VAL 48 3HG1 VAL 48 -4.271 5.560 -1.386 371 HG21 VAL 48 3HG2 VAL 48 -6.737 5.274 -3.542 372 HG22 VAL 48 1HG2 VAL 48 -6.017 4.560 -4.985 373 HG23 VAL 48 2HG2 VAL 48 -6.317 3.562 -3.563 374 H ASN 49 H ASN 49 -3.323 8.378 -2.561 375 HA ASN 49 HA ASN 49 -0.535 7.649 -2.934 376 HB2 ASN 49 1HB ASN 49 -0.018 9.874 -2.167 377 HB3 ASN 49 2HB ASN 49 -1.348 9.985 -3.316 378 HD21 ASN 49 2HD2 ASN 49 -1.960 12.051 -0.245 379 HD22 ASN 49 1HD2 ASN 49 -0.611 11.891 -1.313 380 H GLY 50 H GLY 50 0.990 7.832 -1.100 381 HA2 GLY 50 1HA GLY 50 0.618 6.035 0.883 382 HA3 GLY 50 2HA GLY 50 1.652 7.442 1.082 383 H ARG 51 H ARG 51 0.226 9.532 1.482 384 HA ARG 51 HA ARG 51 -0.727 9.483 4.023 385 HB2 ARG 51 1HB ARG 51 -0.421 11.444 2.265 386 HB3 ARG 51 2HB ARG 51 -2.162 11.257 2.101 387 HG2 ARG 51 1HG ARG 51 -0.760 11.718 4.722 388 HG3 ARG 51 2HG ARG 51 -1.458 12.999 3.729 389 HD2 ARG 51 1HD ARG 51 -3.645 11.776 3.865 390 HD3 ARG 51 2HD ARG 51 -2.896 10.702 5.045 391 HE ARG 51 HE ARG 51 -3.197 12.325 6.614 392 HH11 ARG 51 2HH1 ARG 51 -3.252 13.810 3.465 393 HH12 ARG 51 1HH1 ARG 51 -3.650 15.384 4.071 394 HH21 ARG 51 1HH2 ARG 51 -3.915 15.714 6.322 395 HH22 ARG 51 2HH2 ARG 51 -3.720 14.393 7.423 396 H LEU 52 H LEU 52 -2.617 8.920 1.080 397 HA LEU 52 HA LEU 52 -5.104 8.613 2.429 398 HB2 LEU 52 1HB LEU 52 -4.921 9.217 0.055 399 HB3 LEU 52 2HB LEU 52 -4.252 7.623 -0.290 400 HG LEU 52 HG LEU 52 -6.325 6.560 0.121 401 HD11 LEU 52 1HD1 LEU 52 -8.288 7.732 0.973 402 HD12 LEU 52 2HD1 LEU 52 -7.338 9.206 1.152 403 HD13 LEU 52 3HD1 LEU 52 -6.958 7.788 2.130 404 HD21 LEU 52 3HD2 LEU 52 -7.442 7.272 -1.713 405 HD22 LEU 52 1HD2 LEU 52 -5.985 8.240 -1.936 406 HD23 LEU 52 2HD2 LEU 52 -7.420 8.963 -1.208 407 H LEU 53 H LEU 53 -2.612 6.372 1.321 408 HA LEU 53 HA LEU 53 -3.937 3.964 1.726 409 HB2 LEU 53 1HB LEU 53 -1.764 4.163 0.623 410 HB3 LEU 53 2HB LEU 53 -1.019 4.582 2.164 411 HG LEU 53 HG LEU 53 -1.649 2.314 3.000 412 HD11 LEU 53 1HD1 LEU 53 -1.988 0.702 0.937 413 HD12 LEU 53 2HD1 LEU 53 -2.733 2.140 0.239 414 HD13 LEU 53 3HD1 LEU 53 -3.355 1.468 1.746 415 HD21 LEU 53 3HD2 LEU 53 0.066 2.251 0.523 416 HD22 LEU 53 1HD2 LEU 53 0.171 1.196 1.933 417 HD23 LEU 53 2HD2 LEU 53 0.597 2.902 2.075 418 H LEU 54 H LEU 54 -1.782 5.664 4.004 419 HA LEU 54 HA LEU 54 -1.997 3.993 6.172 420 HB2 LEU 54 1HB LEU 54 -1.757 6.984 6.018 421 HB3 LEU 54 2HB LEU 54 -1.722 6.118 7.553 422 HG LEU 54 HG LEU 54 0.236 5.697 5.296 423 HD11 LEU 54 1HD1 LEU 54 0.604 7.884 6.142 424 HD12 LEU 54 2HD1 LEU 54 1.820 6.839 6.874 425 HD13 LEU 54 3HD1 LEU 54 0.413 7.343 7.810 426 HD21 LEU 54 3HD2 LEU 54 0.122 4.667 8.127 427 HD22 LEU 54 1HD2 LEU 54 1.528 4.528 7.071 428 HD23 LEU 54 2HD2 LEU 54 0.019 3.723 6.640 429 H THR 55 H THR 55 -4.060 6.832 5.532 430 HA THR 55 HA THR 55 -5.805 6.593 7.650 431 HB THR 55 HB THR 55 -7.426 7.841 6.364 432 HG1 THR 55 1HG THR 55 -5.822 7.430 4.054 433 HG21 THR 55 3HG2 THR 55 -5.642 9.481 5.197 434 HG22 THR 55 1HG2 THR 55 -4.558 8.546 6.226 435 HG23 THR 55 2HG2 THR 55 -5.909 9.427 6.939 436 H LEU 56 H LEU 56 -6.026 5.031 4.468 437 HA LEU 56 HA LEU 56 -8.475 3.781 4.732 438 HB2 LEU 56 1HB LEU 56 -5.963 2.859 3.355 439 HB3 LEU 56 2HB LEU 56 -7.511 2.029 3.202 440 HG LEU 56 HG LEU 56 -7.063 4.901 2.402 441 HD11 LEU 56 1HD1 LEU 56 -5.738 3.853 0.854 442 HD12 LEU 56 2HD1 LEU 56 -7.309 3.745 0.061 443 HD13 LEU 56 3HD1 LEU 56 -6.658 2.350 0.919 444 HD21 LEU 56 3HD2 LEU 56 -9.217 3.187 1.301 445 HD22 LEU 56 1HD2 LEU 56 -9.204 4.918 1.643 446 HD23 LEU 56 2HD2 LEU 56 -9.399 3.760 2.959 447 H THR 57 H THR 57 -9.253 2.123 5.880 448 HA THR 57 HA THR 57 -7.342 0.539 7.472 449 HB THR 57 HB THR 57 -9.158 0.238 9.129 450 HG1 THR 57 1HG THR 57 -10.726 1.033 7.264 451 HG21 THR 57 3HG2 THR 57 -8.197 2.997 8.445 452 HG22 THR 57 1HG2 THR 57 -7.658 1.923 9.735 453 HG23 THR 57 2HG2 THR 57 -9.230 2.716 9.847 454 H GLU 58 H GLU 58 -8.383 -1.600 8.219 455 HA GLU 58 HA GLU 58 -8.637 -3.357 6.189 456 HB2 GLU 58 1HB GLU 58 -8.612 -3.789 8.725 457 HB3 GLU 58 2HB GLU 58 -10.363 -3.666 8.634 458 HG2 GLU 58 1HG GLU 58 -10.559 -5.586 7.343 459 HG3 GLU 58 2HG GLU 58 -8.866 -5.543 6.852 460 H GLU 59 H GLU 59 -11.289 -1.500 7.621 461 HA GLU 59 HA GLU 59 -13.363 -2.673 6.109 462 HB2 GLU 59 1HB GLU 59 -13.050 -0.225 7.764 463 HB3 GLU 59 2HB GLU 59 -14.391 -0.256 6.629 464 HG2 GLU 59 1HG GLU 59 -14.761 -1.073 9.045 465 HG3 GLU 59 2HG GLU 59 -15.446 -1.995 7.709 466 H GLU 60 H GLU 60 -12.187 0.672 5.763 467 HA GLU 60 HA GLU 60 -13.236 1.416 3.428 468 HB2 GLU 60 1HB GLU 60 -10.406 1.823 4.377 469 HB3 GLU 60 2HB GLU 60 -11.022 2.593 2.921 470 HG2 GLU 60 1HG GLU 60 -12.315 2.896 5.615 471 HG3 GLU 60 2HG GLU 60 -11.073 3.988 5.005 472 H PHE 61 H PHE 61 -10.410 -0.703 3.714 473 HA PHE 61 HA PHE 61 -9.820 -0.969 1.003 474 HB2 PHE 61 1HB PHE 61 -9.391 -2.757 3.380 475 HB3 PHE 61 2HB PHE 61 -8.926 -3.283 1.765 476 HD1 PHE 61 1HD PHE 61 -7.610 -1.298 0.438 477 HD2 PHE 61 2HD PHE 61 -7.698 -1.903 4.651 478 HE1 PHE 61 1HE PHE 61 -5.481 -0.083 0.654 479 HE2 PHE 61 2HE PHE 61 -5.570 -0.689 4.873 480 HZ PHE 61 HZ PHE 61 -4.459 0.224 2.873 481 H SER 62 H SER 62 -12.009 -2.863 3.051 482 HA SER 62 HA SER 62 -12.805 -4.599 0.911 483 HB2 SER 62 1HB SER 62 -12.878 -5.433 3.186 484 HB3 SER 62 2HB SER 62 -13.977 -4.139 3.665 485 HG SER 62 HG SER 62 -15.585 -5.250 2.895 486 H ARG 63 H ARG 63 -13.521 -1.433 1.656 487 HA ARG 63 HA ARG 63 -16.252 -1.547 0.616 488 HB2 ARG 63 1HB ARG 63 -14.715 0.829 1.676 489 HB3 ARG 63 2HB ARG 63 -16.432 0.777 1.302 490 HG2 ARG 63 1HG ARG 63 -15.077 -0.860 3.436 491 HG3 ARG 63 2HG ARG 63 -15.974 0.636 3.711 492 HD2 ARG 63 1HD ARG 63 -17.119 -1.871 2.485 493 HD3 ARG 63 2HD ARG 63 -17.305 -1.397 4.174 494 HE ARG 63 HE ARG 63 -18.195 0.562 2.242 495 HH11 ARG 63 2HH1 ARG 63 -19.060 -2.144 4.255 496 HH12 ARG 63 1HH1 ARG 63 -20.748 -1.753 4.280 497 HH21 ARG 63 1HH2 ARG 63 -21.517 0.084 3.147 498 HH22 ARG 63 2HH2 ARG 63 -20.414 1.086 2.266 499 H ALA 64 H ALA 64 -16.903 -0.463 -1.239 500 HA ALA 64 HA ALA 64 -15.137 -0.437 -3.400 501 HB1 ALA 64 3HB ALA 64 -17.148 -0.461 -4.354 502 HB2 ALA 64 1HB ALA 64 -17.916 0.240 -2.930 503 HB3 ALA 64 2HB ALA 64 -17.169 1.289 -4.136 504 HA PRO 65 HA PRO 65 -15.404 0.849 -5.482 505 HB2 PRO 65 2HB PRO 65 -14.590 2.552 -6.792 506 HB3 PRO 65 1HB PRO 65 -13.175 1.497 -6.889 507 HG2 PRO 65 1HG PRO 65 -12.022 2.681 -5.258 508 HG3 PRO 65 2HG PRO 65 -12.951 3.998 -5.997 509 HD2 PRO 65 1HD PRO 65 -13.060 3.447 -3.348 510 HD3 PRO 65 2HD PRO 65 -14.447 4.094 -4.247 511 H TYR 66 H TYR 66 -12.411 0.894 -3.644 512 HA TYR 66 HA TYR 66 -10.986 -1.186 -4.678 513 HB2 TYR 66 1HB TYR 66 -11.306 -1.099 -1.710 514 HB3 TYR 66 2HB TYR 66 -9.844 -1.280 -2.673 515 HD1 TYR 66 1HD TYR 66 -9.769 0.986 -4.406 516 HD2 TYR 66 2HD TYR 66 -11.138 0.779 -0.383 517 HE1 TYR 66 1HE TYR 66 -9.283 3.381 -4.124 518 HE2 TYR 66 2HE TYR 66 -10.657 3.174 -0.090 519 HH TYR 66 HH TYR 66 -9.450 5.148 -2.779 520 H THR 67 H THR 67 -13.733 -1.416 -2.451 521 HA THR 67 HA THR 67 -14.755 -3.315 -1.576 522 HB THR 67 HB THR 67 -15.969 -2.646 -3.661 523 HG1 THR 67 1HG THR 67 -16.999 -4.789 -3.854 524 HG21 THR 67 3HG2 THR 67 -15.628 -3.708 -5.709 525 HG22 THR 67 1HG2 THR 67 -14.715 -5.030 -4.982 526 HG23 THR 67 2HG2 THR 67 -13.987 -3.430 -5.127 527 H ILE 68 H ILE 68 -12.008 -3.800 -1.570 528 HA ILE 68 HA ILE 68 -11.056 -6.016 -2.896 529 HB ILE 68 HB ILE 68 -10.525 -5.255 -0.022 530 HG12 ILE 68 1HG1 ILE 68 -9.143 -4.532 -2.612 531 HG13 ILE 68 2HG1 ILE 68 -9.977 -3.438 -1.514 532 HG21 ILE 68 1HG2 ILE 68 -8.657 -6.815 -1.766 533 HG22 ILE 68 2HG2 ILE 68 -8.690 -6.678 -0.008 534 HG23 ILE 68 3HG2 ILE 68 -9.921 -7.627 -0.842 535 HD11 ILE 68 3HD1 ILE 68 -8.096 -3.086 -0.418 536 HD12 ILE 68 1HD1 ILE 68 -7.956 -4.807 -0.061 537 HD13 ILE 68 2HD1 ILE 68 -7.254 -4.154 -1.541 538 H GLU 69 H GLU 69 -12.692 -7.550 -3.196 539 HA GLU 69 HA GLU 69 -13.993 -8.780 -0.942 540 HB2 GLU 69 1HB GLU 69 -13.938 -9.685 -3.826 541 HB3 GLU 69 2HB GLU 69 -15.063 -10.216 -2.583 542 HG2 GLU 69 1HG GLU 69 -15.690 -7.714 -2.419 543 HG3 GLU 69 2HG GLU 69 -14.918 -7.590 -3.999 544 H ASN 70 H ASN 70 -11.275 -8.958 -0.581 545 HA ASN 70 HA ASN 70 -10.936 -11.824 -0.425 546 HB2 ASN 70 1HB ASN 70 -9.981 -10.869 -2.691 547 HB3 ASN 70 2HB ASN 70 -8.640 -10.362 -1.667 548 HD21 ASN 70 2HD2 ASN 70 -7.497 -13.639 -1.012 549 HD22 ASN 70 1HD2 ASN 70 -7.602 -12.038 -0.370 550 H SER 71 H SER 71 -10.412 -12.098 1.634 551 HA SER 71 HA SER 71 -9.406 -10.106 3.327 552 HB2 SER 71 1HB SER 71 -10.632 -12.203 4.024 553 HB3 SER 71 2HB SER 71 -9.127 -13.085 3.767 554 HG SER 71 HG SER 71 -8.684 -12.506 5.733 555 H SER 72 H SER 72 -7.728 -12.990 2.063 556 HA SER 72 HA SER 72 -5.241 -12.741 3.002 557 HB2 SER 72 1HB SER 72 -6.184 -14.289 1.119 558 HB3 SER 72 2HB SER 72 -5.506 -13.077 0.031 559 HG SER 72 HG SER 72 -3.567 -13.461 1.592 560 H HIS 73 H HIS 73 -6.587 -10.738 0.416 561 HA HIS 73 HA HIS 73 -4.233 -9.301 -0.167 562 HB2 HIS 73 1HB HIS 73 -6.367 -9.415 -1.551 563 HB3 HIS 73 2HB HIS 73 -7.038 -8.224 -0.442 564 HD1 HIS 73 1HD HIS 73 -6.577 -5.836 -0.974 565 HD2 HIS 73 2HD HIS 73 -3.998 -8.414 -2.965 566 HE1 HIS 73 1HE HIS 73 -5.246 -4.382 -2.534 567 HE2 HIS 73 2HE HIS 73 -3.752 -5.975 -3.790 568 H ARG 74 H ARG 74 -6.994 -8.509 1.933 569 HA ARG 74 HA ARG 74 -6.004 -6.033 2.828 570 HB2 ARG 74 1HB ARG 74 -8.012 -7.981 3.924 571 HB3 ARG 74 2HB ARG 74 -7.566 -6.543 4.833 572 HG2 ARG 74 1HG ARG 74 -8.180 -5.218 2.760 573 HG3 ARG 74 2HG ARG 74 -8.909 -6.708 2.155 574 HD2 ARG 74 1HD ARG 74 -9.614 -5.701 4.879 575 HD3 ARG 74 2HD ARG 74 -10.359 -4.972 3.456 576 HE ARG 74 HE ARG 74 -10.715 -7.646 3.095 577 HH11 ARG 74 2HH1 ARG 74 -11.473 -5.404 5.648 578 HH12 ARG 74 1HH1 ARG 74 -12.874 -6.276 6.176 579 HH21 ARG 74 1HH2 ARG 74 -13.490 -8.210 5.113 580 HH22 ARG 74 2HH2 ARG 74 -12.558 -8.803 3.780 581 H ARG 75 H ARG 75 -5.704 -9.305 4.153 582 HA ARG 75 HA ARG 75 -4.445 -8.695 6.554 583 HB2 ARG 75 1HB ARG 75 -5.245 -10.933 6.064 584 HB3 ARG 75 2HB ARG 75 -4.080 -11.097 4.757 585 HG2 ARG 75 1HG ARG 75 -3.048 -10.525 7.481 586 HG3 ARG 75 2HG ARG 75 -3.659 -12.144 7.138 587 HD2 ARG 75 1HD ARG 75 -2.159 -12.093 5.079 588 HD3 ARG 75 2HD ARG 75 -1.401 -10.676 5.805 589 HE ARG 75 HE ARG 75 -1.234 -12.444 7.797 590 HH11 ARG 75 2HH1 ARG 75 -0.502 -12.738 4.406 591 HH12 ARG 75 1HH1 ARG 75 0.744 -13.918 4.643 592 HH21 ARG 75 1HH2 ARG 75 1.258 -14.635 6.758 593 HH22 ARG 75 2HH2 ARG 75 0.405 -13.998 8.123 594 H VAL 76 H VAL 76 -2.993 -9.361 3.378 595 HA VAL 76 HA VAL 76 -0.311 -9.062 4.197 596 HB VAL 76 HB VAL 76 -1.467 -8.595 1.445 597 HG11 VAL 76 1HG1 VAL 76 1.202 -8.395 2.507 598 HG12 VAL 76 2HG1 VAL 76 1.112 -9.654 1.274 599 HG13 VAL 76 3HG1 VAL 76 0.605 -8.008 0.894 600 HG21 VAL 76 3HG2 VAL 76 -1.807 -10.869 2.724 601 HG22 VAL 76 1HG2 VAL 76 -1.356 -10.845 1.019 602 HG23 VAL 76 2HG2 VAL 76 -0.128 -11.131 2.252 603 H ILE 77 H ILE 77 -2.368 -6.802 2.351 604 HA ILE 77 HA ILE 77 -0.672 -4.640 2.269 605 HB ILE 77 HB ILE 77 -3.671 -4.761 2.444 606 HG12 ILE 77 1HG1 ILE 77 -1.835 -3.922 0.192 607 HG13 ILE 77 2HG1 ILE 77 -2.466 -5.554 0.391 608 HG21 ILE 77 1HG2 ILE 77 -1.952 -2.454 2.838 609 HG22 ILE 77 2HG2 ILE 77 -3.060 -2.247 1.482 610 HG23 ILE 77 3HG2 ILE 77 -3.690 -2.625 3.084 611 HD11 ILE 77 3HD1 ILE 77 -4.669 -4.861 -0.034 612 HD12 ILE 77 1HD1 ILE 77 -4.253 -3.158 0.153 613 HD13 ILE 77 2HD1 ILE 77 -3.670 -4.060 -1.246 614 H LEU 78 H LEU 78 -3.196 -5.195 4.731 615 HA LEU 78 HA LEU 78 -2.514 -3.040 6.377 616 HB2 LEU 78 1HB LEU 78 -4.005 -5.587 6.750 617 HB3 LEU 78 2HB LEU 78 -3.556 -4.663 8.182 618 HG LEU 78 HG LEU 78 -4.726 -2.688 7.009 619 HD11 LEU 78 1HD1 LEU 78 -4.893 -3.834 4.816 620 HD12 LEU 78 2HD1 LEU 78 -6.441 -3.252 5.428 621 HD13 LEU 78 3HD1 LEU 78 -6.038 -4.966 5.536 622 HD21 LEU 78 3HD2 LEU 78 -6.505 -4.952 7.874 623 HD22 LEU 78 1HD2 LEU 78 -6.764 -3.219 8.069 624 HD23 LEU 78 2HD2 LEU 78 -5.512 -4.034 9.007 625 H THR 79 H THR 79 -1.947 -6.453 7.224 626 HA THR 79 HA THR 79 -0.279 -6.288 9.292 627 HB THR 79 HB THR 79 0.163 -8.084 6.900 628 HG1 THR 79 1HG THR 79 -1.593 -8.963 7.681 629 HG21 THR 79 3HG2 THR 79 2.016 -8.807 7.903 630 HG22 THR 79 1HG2 THR 79 1.034 -9.320 9.275 631 HG23 THR 79 2HG2 THR 79 1.754 -7.710 9.259 632 H GLU 80 H GLU 80 0.857 -5.999 5.926 633 HA GLU 80 HA GLU 80 3.542 -5.443 6.582 634 HB2 GLU 80 1HB GLU 80 1.895 -4.892 4.119 635 HB3 GLU 80 2HB GLU 80 3.598 -4.469 4.224 636 HG2 GLU 80 1HG GLU 80 2.811 -7.252 4.885 637 HG3 GLU 80 2HG GLU 80 2.784 -6.756 3.194 638 H LEU 81 H LEU 81 0.803 -3.314 5.837 639 HA LEU 81 HA LEU 81 2.195 -0.883 5.959 640 HB2 LEU 81 1HB LEU 81 -0.620 -1.745 6.064 641 HB3 LEU 81 2HB LEU 81 -0.278 -0.175 6.790 642 HG LEU 81 HG LEU 81 0.608 -0.824 3.997 643 HD11 LEU 81 1HD1 LEU 81 -1.414 -0.373 3.081 644 HD12 LEU 81 2HD1 LEU 81 -1.907 0.680 4.407 645 HD13 LEU 81 3HD1 LEU 81 -1.977 -1.072 4.599 646 HD21 LEU 81 3HD2 LEU 81 0.555 1.509 5.760 647 HD22 LEU 81 1HD2 LEU 81 -0.077 1.815 4.142 648 HD23 LEU 81 2HD2 LEU 81 1.554 1.175 4.344 649 H GLU 82 H GLU 82 0.885 -2.941 8.454 650 HA GLU 82 HA GLU 82 0.912 -1.061 10.567 651 HB2 GLU 82 1HB GLU 82 -0.264 -3.307 10.533 652 HB3 GLU 82 2HB GLU 82 1.304 -4.040 10.841 653 HG2 GLU 82 1HG GLU 82 0.467 -3.894 12.960 654 HG3 GLU 82 2HG GLU 82 1.364 -2.380 12.852 655 H ARG 83 H ARG 83 3.377 -3.020 9.088 656 HA ARG 83 HA ARG 83 5.281 -2.598 11.226 657 HB2 ARG 83 1HB ARG 83 5.845 -3.695 8.473 658 HB3 ARG 83 2HB ARG 83 6.791 -3.924 9.938 659 HG2 ARG 83 1HG ARG 83 4.553 -5.015 10.803 660 HG3 ARG 83 2HG ARG 83 4.276 -5.243 9.075 661 HD2 ARG 83 1HD ARG 83 5.355 -7.204 9.760 662 HD3 ARG 83 2HD ARG 83 6.625 -6.240 9.008 663 HE ARG 83 HE ARG 83 6.789 -5.579 11.634 664 HH11 ARG 83 2HH1 ARG 83 6.801 -8.594 9.894 665 HH12 ARG 83 1HH1 ARG 83 7.805 -9.407 11.049 666 HH21 ARG 83 1HH2 ARG 83 8.548 -8.294 12.908 667 HH22 ARG 83 2HH2 ARG 83 8.111 -6.638 13.162 668 H VAL 84 H VAL 84 5.330 -1.834 7.738 669 HA VAL 84 HA VAL 84 7.457 -0.162 7.605 670 HB VAL 84 HB VAL 84 6.320 1.052 5.774 671 HG11 VAL 84 1HG1 VAL 84 7.349 -0.906 5.055 672 HG12 VAL 84 2HG1 VAL 84 6.195 -1.939 5.902 673 HG13 VAL 84 3HG1 VAL 84 5.701 -1.070 4.449 674 HG21 VAL 84 3HG2 VAL 84 4.105 1.310 6.498 675 HG22 VAL 84 1HG2 VAL 84 4.003 0.155 5.169 676 HG23 VAL 84 2HG2 VAL 84 3.922 -0.411 6.838 677 H ARG 85 H ARG 85 4.228 0.675 8.768 678 HA ARG 85 HA ARG 85 4.825 3.446 9.144 679 HB2 ARG 85 1HB ARG 85 2.651 3.671 9.892 680 HB3 ARG 85 2HB ARG 85 2.518 2.242 8.875 681 HG2 ARG 85 1HG ARG 85 2.642 0.812 10.837 682 HG3 ARG 85 2HG ARG 85 2.825 2.231 11.870 683 HD2 ARG 85 1HD ARG 85 0.467 1.947 10.043 684 HD3 ARG 85 2HD ARG 85 0.489 1.157 11.620 685 HE ARG 85 HE ARG 85 1.163 3.772 12.109 686 HH11 ARG 85 2HH1 ARG 85 -1.530 2.107 10.660 687 HH12 ARG 85 1HH1 ARG 85 -2.689 3.309 11.121 688 HH21 ARG 85 1HH2 ARG 85 -2.019 5.160 12.293 689 HH22 ARG 85 2HH2 ARG 85 -0.354 5.362 12.722 690 H SER 86 H SER 86 4.511 0.665 11.339 691 HA SER 86 HA SER 86 4.976 1.945 13.746 692 HB2 SER 86 1HB SER 86 4.339 -0.288 13.955 693 HB3 SER 86 2HB SER 86 5.523 -0.840 12.770 694 HG SER 86 HG SER 86 7.119 -0.644 14.263 695 H GLY 87 H GLY 87 6.756 2.576 14.890 696 HA2 GLY 87 1HA GLY 87 9.388 1.905 14.569 697 HA3 GLY 87 2HA GLY 87 9.122 3.168 13.377 698 HA PRO 88 HA PRO 88 9.654 4.761 17.901 699 HB2 PRO 88 2HB PRO 88 11.425 3.500 18.644 700 HB3 PRO 88 1HB PRO 88 12.356 4.909 18.122 701 HG2 PRO 88 1HG PRO 88 12.960 3.924 16.108 702 HG3 PRO 88 2HG PRO 88 12.889 2.488 17.146 703 HD2 PRO 88 1HD PRO 88 11.463 2.701 14.854 704 HD3 PRO 88 2HD PRO 88 10.875 1.795 16.263 705 H SER 89 H SER 89 10.724 6.852 18.486 706 HA SER 89 HA SER 89 10.514 8.678 16.277 707 HB2 SER 89 1HB SER 89 11.071 9.038 19.221 708 HB3 SER 89 2HB SER 89 11.092 10.389 18.088 709 HG SER 89 HG SER 89 9.017 9.554 19.297 710 H SER 90 H SER 90 12.103 9.804 15.263 711 HA SER 90 HA SER 90 14.834 8.867 15.703 712 HB2 SER 90 1HB SER 90 13.860 8.834 13.406 713 HB3 SER 90 2HB SER 90 13.752 10.594 13.463 714 HG SER 90 HG SER 90 15.837 9.102 12.787 715 H GLY 91 H GLY 91 13.016 11.908 15.459 716 HA2 GLY 91 1HA GLY 91 13.653 13.542 17.259 717 HA3 GLY 91 2HA GLY 91 15.308 13.265 16.738
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