NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9666 | 1om2 | 4496 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1H ARG 1 1.883 -0.160 0.483 2 2H ARG 1 2H ARG 1 0.732 0.834 -0.145 3 3H ARG 1 3H ARG 1 0.731 -0.773 -0.523 4 HA ARG 1 HA ARG 1 2.812 -0.582 -1.636 5 1HB ARG 1 1HB ARG 1 0.692 1.392 -2.575 6 2HB ARG 1 2HB ARG 1 2.098 0.928 -3.540 7 1HG ARG 1 1HG ARG 1 -0.025 -1.029 -2.539 8 2HG ARG 1 2HG ARG 1 -0.010 -0.247 -4.119 9 1HD ARG 1 1HD ARG 1 2.258 -1.292 -4.572 10 2HD ARG 1 2HD ARG 1 2.098 -2.177 -3.056 11 HE ARG 1 HE ARG 1 0.616 -3.622 -3.974 12 1HH1 ARG 1 1HH1 ARG 1 0.927 -0.864 -6.184 13 2HH1 ARG 1 2HH1 ARG 1 0.088 -1.649 -7.492 14 1HH2 ARG 1 1HH2 ARG 1 -0.498 -4.645 -5.692 15 2HH2 ARG 1 2HH2 ARG 1 -0.739 -3.816 -7.201 16 H ALA 2 H ALA 2 1.960 2.876 -1.913 17 HA ALA 2 HA ALA 2 4.064 3.772 -0.143 18 1HB ALA 2 1HB ALA 2 5.413 3.044 -2.111 19 2HB ALA 2 2HB ALA 2 4.395 4.042 -3.171 20 3HB ALA 2 3HB ALA 2 5.426 4.806 -1.943 21 H GLY 3 H GLY 3 4.310 6.265 -0.592 22 1HA GLY 3 1HA GLY 3 1.653 7.426 -0.429 23 2HA GLY 3 2HA GLY 3 3.214 8.253 -0.294 24 H LEU 4 H LEU 4 1.682 9.806 -1.588 25 HA LEU 4 HA LEU 4 2.471 9.661 -4.406 26 1HB LEU 4 1HB LEU 4 0.032 8.643 -3.810 27 2HB LEU 4 2HB LEU 4 -0.396 10.346 -3.844 28 HG LEU 4 HG LEU 4 -0.859 9.434 -5.944 29 1HD1 LEU 4 1HD1 LEU 4 0.297 11.661 -6.028 30 2HD1 LEU 4 2HD1 LEU 4 1.794 10.798 -6.471 31 3HD1 LEU 4 3HD1 LEU 4 0.380 10.715 -7.524 32 1HD2 LEU 4 1HD2 LEU 4 0.446 7.369 -5.812 33 2HD2 LEU 4 2HD2 LEU 4 0.655 8.176 -7.372 34 3HD2 LEU 4 3HD2 LEU 4 1.939 8.267 -6.153 35 H SER 5 H SER 5 3.031 11.738 -5.100 36 HA SER 5 HA SER 5 1.837 14.058 -4.111 37 1HB SER 5 1HB SER 5 3.466 13.433 -2.170 38 2HB SER 5 2HB SER 5 4.772 13.757 -3.325 39 HG SER 5 HG SER 5 2.846 15.496 -2.222 40 H LYS 6 H LYS 6 3.442 15.986 -4.852 41 HA LYS 6 HA LYS 6 3.854 15.506 -7.725 42 1HB LYS 6 1HB LYS 6 3.936 18.042 -5.982 43 2HB LYS 6 2HB LYS 6 4.227 18.040 -7.704 44 1HG LYS 6 1HG LYS 6 2.061 18.420 -8.056 45 2HG LYS 6 2HG LYS 6 1.663 16.815 -7.462 46 1HD LYS 6 1HD LYS 6 1.875 19.383 -5.823 47 2HD LYS 6 2HD LYS 6 0.394 18.635 -6.435 48 1HE LYS 6 1HE LYS 6 0.971 16.559 -5.079 49 2HE LYS 6 2HE LYS 6 2.258 17.516 -4.305 50 1HZ LYS 6 1HZ LYS 6 0.580 19.057 -3.587 51 2HZ LYS 6 2HZ LYS 6 -0.605 18.155 -4.295 52 3HZ LYS 6 3HZ LYS 6 0.254 17.540 -3.031 53 H LEU 7 H LEU 7 5.917 15.785 -8.773 54 HA LEU 7 HA LEU 7 8.124 15.314 -8.890 55 1HB LEU 7 1HB LEU 7 8.247 17.800 -7.153 56 2HB LEU 7 2HB LEU 7 9.483 17.240 -8.287 57 HG LEU 7 HG LEU 7 6.672 18.189 -9.031 58 1HD1 LEU 7 1HD1 LEU 7 8.109 19.997 -8.201 59 2HD1 LEU 7 2HD1 LEU 7 9.375 19.540 -9.363 60 3HD1 LEU 7 3HD1 LEU 7 7.811 20.156 -9.942 61 1HD2 LEU 7 1HD2 LEU 7 7.553 16.534 -10.705 62 2HD2 LEU 7 2HD2 LEU 7 7.480 18.174 -11.340 63 3HD2 LEU 7 3HD2 LEU 7 9.031 17.525 -10.856 64 HA PRO 8 HA PRO 8 8.537 13.313 -4.748 65 1HB PRO 8 1HB PRO 8 8.686 10.698 -5.636 66 2HB PRO 8 2HB PRO 8 7.181 11.551 -5.201 67 1HG PRO 8 1HG PRO 8 8.324 11.114 -7.956 68 2HG PRO 8 2HG PRO 8 6.632 10.955 -7.407 69 1HD PRO 8 1HD PRO 8 7.558 13.195 -8.705 70 2HD PRO 8 2HD PRO 8 6.303 13.294 -7.449 71 H ASP 9 H ASP 9 10.166 11.963 -7.694 72 HA ASP 9 HA ASP 9 12.735 12.906 -6.668 73 1HB ASP 9 1HB ASP 9 12.119 10.563 -5.679 74 2HB ASP 9 2HB ASP 9 12.467 9.947 -7.299 75 H LEU 10 H LEU 10 10.765 11.840 -9.307 76 HA LEU 10 HA LEU 10 10.891 12.112 -11.481 77 1HB LEU 10 1HB LEU 10 13.638 13.422 -11.279 78 2HB LEU 10 2HB LEU 10 12.436 13.612 -12.550 79 HG LEU 10 HG LEU 10 12.152 14.645 -9.684 80 1HD1 LEU 10 1HD1 LEU 10 12.624 16.084 -12.316 81 2HD1 LEU 10 2HD1 LEU 10 12.357 16.845 -10.729 82 3HD1 LEU 10 3HD1 LEU 10 13.812 15.864 -11.009 83 1HD2 LEU 10 1HD2 LEU 10 9.959 13.995 -10.739 84 2HD2 LEU 10 2HD2 LEU 10 10.153 15.724 -10.470 85 3HD2 LEU 10 3HD2 LEU 10 10.361 15.062 -12.109 86 H LYS 11 H LYS 11 13.254 10.354 -9.986 87 HA LYS 11 HA LYS 11 14.547 9.204 -12.299 88 1HB LYS 11 1HB LYS 11 13.894 7.891 -9.618 89 2HB LYS 11 2HB LYS 11 14.747 7.099 -10.939 90 1HG LYS 11 1HG LYS 11 16.577 7.776 -9.872 91 2HG LYS 11 2HG LYS 11 16.339 9.255 -10.815 92 1HD LYS 11 1HD LYS 11 15.203 10.295 -8.876 93 2HD LYS 11 2HD LYS 11 15.287 8.749 -8.002 94 1HE LYS 11 1HE LYS 11 17.787 8.865 -8.086 95 2HE LYS 11 2HE LYS 11 17.663 10.472 -8.835 96 1HZ LYS 11 1HZ LYS 11 16.518 9.749 -6.219 97 2HZ LYS 11 2HZ LYS 11 17.960 10.557 -6.415 98 3HZ LYS 11 3HZ LYS 11 16.506 11.217 -6.870 99 H ASP 12 H ASP 12 11.413 8.543 -10.689 100 HA ASP 12 HA ASP 12 10.721 6.391 -12.503 101 1HB ASP 12 1HB ASP 12 8.885 8.009 -10.728 102 2HB ASP 12 2HB ASP 12 8.624 6.387 -11.399 103 H ALA 13 H ALA 13 9.587 6.582 -14.304 104 HA ALA 13 HA ALA 13 9.187 9.203 -15.556 105 1HB ALA 13 1HB ALA 13 10.100 7.303 -16.862 106 2HB ALA 13 2HB ALA 13 8.602 6.386 -16.580 107 3HB ALA 13 3HB ALA 13 8.566 7.877 -17.547 108 H GLU 14 H GLU 14 7.232 6.606 -14.270 109 HA GLU 14 HA GLU 14 4.678 7.478 -15.118 110 1HB GLU 14 1HB GLU 14 5.478 5.942 -12.603 111 2HB GLU 14 2HB GLU 14 3.828 6.113 -13.228 112 1HG GLU 14 1HG GLU 14 4.526 5.022 -15.358 113 2HG GLU 14 2HG GLU 14 6.151 4.776 -14.693 114 H ALA 15 H ALA 15 6.616 8.369 -12.277 115 HA ALA 15 HA ALA 15 4.606 9.947 -10.946 116 1HB ALA 15 1HB ALA 15 7.654 10.187 -10.852 117 2HB ALA 15 2HB ALA 15 6.510 10.968 -9.757 118 3HB ALA 15 3HB ALA 15 6.650 9.195 -9.759 119 H VAL 16 H VAL 16 7.117 10.590 -13.287 120 HA VAL 16 HA VAL 16 6.808 13.483 -13.316 121 HB VAL 16 HB VAL 16 8.560 11.548 -14.617 122 1HG1 VAL 16 1HG1 VAL 16 7.806 13.899 -16.311 123 2HG1 VAL 16 2HG1 VAL 16 9.181 12.790 -16.545 124 3HG1 VAL 16 3HG1 VAL 16 7.533 12.170 -16.705 125 1HG2 VAL 16 1HG2 VAL 16 9.251 13.008 -12.924 126 2HG2 VAL 16 2HG2 VAL 16 10.199 13.124 -14.420 127 3HG2 VAL 16 3HG2 VAL 16 9.003 14.396 -14.036 128 H GLN 17 H GLN 17 5.497 10.742 -15.151 129 HA GLN 17 HA GLN 17 4.082 12.392 -17.023 130 1HB GLN 17 1HB GLN 17 4.560 9.961 -17.440 131 2HB GLN 17 2HB GLN 17 3.377 9.553 -16.184 132 1HG GLN 17 1HG GLN 17 2.378 9.311 -18.358 133 2HG GLN 17 2HG GLN 17 1.594 10.636 -17.497 134 1HE2 GLN 17 2HE2 GLN 17 0.860 11.110 -19.787 135 2HE2 GLN 17 1HE2 GLN 17 1.910 12.100 -20.778 136 H LYS 18 H LYS 18 3.232 10.916 -13.890 137 HA LYS 18 HA LYS 18 0.489 11.723 -13.931 138 1HB LYS 18 1HB LYS 18 2.356 11.273 -11.554 139 2HB LYS 18 2HB LYS 18 0.626 11.543 -11.413 140 1HG LYS 18 1HG LYS 18 1.051 9.354 -13.285 141 2HG LYS 18 2HG LYS 18 2.031 9.091 -11.842 142 1HD LYS 18 1HD LYS 18 -0.009 8.005 -11.447 143 2HD LYS 18 2HD LYS 18 0.044 9.429 -10.398 144 1HE LYS 18 1HE LYS 18 -1.447 10.633 -12.055 145 2HE LYS 18 2HE LYS 18 -1.500 9.150 -13.030 146 1HZ LYS 18 1HZ LYS 18 -2.457 9.413 -10.268 147 2HZ LYS 18 2HZ LYS 18 -3.396 9.380 -11.618 148 3HZ LYS 18 3HZ LYS 18 -2.530 8.047 -11.189 149 H PHE 19 H PHE 19 3.299 13.319 -12.405 150 HA PHE 19 HA PHE 19 1.872 15.652 -11.605 151 1HB PHE 19 1HB PHE 19 3.933 15.348 -10.526 152 2HB PHE 19 2HB PHE 19 4.780 14.944 -12.021 153 HD1 PHE 19 HD1 PHE 19 5.430 16.614 -13.658 154 HD2 PHE 19 HD2 PHE 19 3.688 17.754 -9.895 155 HE1 PHE 19 HE1 PHE 19 6.165 18.968 -14.000 156 HE2 PHE 19 HE2 PHE 19 4.462 20.081 -10.241 157 HZ PHE 19 HZ PHE 19 5.740 20.651 -12.414 158 H PHE 20 H PHE 20 3.724 14.965 -14.585 159 HA PHE 20 HA PHE 20 3.686 17.528 -15.724 160 1HB PHE 20 1HB PHE 20 5.042 15.848 -16.648 161 2HB PHE 20 2HB PHE 20 3.672 14.764 -16.947 162 HD1 PHE 20 HD1 PHE 20 4.826 18.193 -17.921 163 HD2 PHE 20 HD2 PHE 20 3.168 14.413 -19.161 164 HE1 PHE 20 HE1 PHE 20 4.882 18.939 -20.290 165 HE2 PHE 20 HE2 PHE 20 3.231 15.159 -21.520 166 HZ PHE 20 HZ PHE 20 4.102 17.410 -22.085 167 H LEU 21 H LEU 21 1.337 14.821 -16.012 168 HA LEU 21 HA LEU 21 -0.613 16.324 -17.490 169 1HB LEU 21 1HB LEU 21 -0.362 13.626 -16.179 170 2HB LEU 21 2HB LEU 21 -1.974 14.255 -16.122 171 HG LEU 21 HG LEU 21 -0.504 13.977 -18.821 172 1HD1 LEU 21 1HD1 LEU 21 -2.330 12.046 -17.338 173 2HD1 LEU 21 2HD1 LEU 21 -1.762 11.882 -19.013 174 3HD1 LEU 21 3HD1 LEU 21 -0.605 11.811 -17.681 175 1HD2 LEU 21 1HD2 LEU 21 -3.337 14.518 -17.862 176 2HD2 LEU 21 2HD2 LEU 21 -2.321 15.546 -18.898 177 3HD2 LEU 21 3HD2 LEU 21 -2.945 14.008 -19.497 178 H GLU 22 H GLU 22 -0.177 15.778 -14.009 179 HA GLU 22 HA GLU 22 -2.657 16.912 -13.224 180 1HB GLU 22 1HB GLU 22 -1.061 15.751 -11.661 181 2HB GLU 22 2HB GLU 22 0.006 17.166 -11.750 182 1HG GLU 22 1HG GLU 22 -1.815 18.584 -10.823 183 2HG GLU 22 2HG GLU 22 -2.840 17.147 -10.687 184 H GLU 23 H GLU 23 0.402 18.397 -14.268 185 HA GLU 23 HA GLU 23 -0.383 21.070 -13.501 186 1HB GLU 23 1HB GLU 23 1.959 20.189 -13.485 187 2HB GLU 23 2HB GLU 23 1.981 20.311 -15.255 188 1HG GLU 23 1HG GLU 23 1.639 22.669 -15.161 189 2HG GLU 23 2HG GLU 23 1.154 22.630 -13.455 190 H ILE 24 H ILE 24 -0.091 19.242 -16.506 191 HA ILE 24 HA ILE 24 -0.939 21.217 -18.391 192 HB ILE 24 HB ILE 24 -0.942 18.193 -18.268 193 1HG1 ILE 24 1HG1 ILE 24 0.414 20.156 -20.009 194 2HG1 ILE 24 2HG1 ILE 24 0.926 18.568 -19.446 195 1HG2 ILE 24 1HG2 ILE 24 -3.218 18.351 -18.978 196 2HG2 ILE 24 2HG2 ILE 24 -2.653 19.265 -20.389 197 3HG2 ILE 24 3HG2 ILE 24 -2.138 17.615 -20.102 198 1HD1 ILE 24 1HD1 ILE 24 -1.030 18.975 -21.775 199 2HD1 ILE 24 2HD1 ILE 24 0.693 18.756 -21.872 200 3HD1 ILE 24 3HD1 ILE 24 -0.280 17.459 -21.206 201 H GLN 25 H GLN 25 -2.882 18.937 -16.450 202 HA GLN 25 HA GLN 25 -5.409 20.101 -17.338 203 1HB GLN 25 1HB GLN 25 -4.794 18.261 -14.965 204 2HB GLN 25 2HB GLN 25 -6.404 18.691 -15.548 205 1HG GLN 25 1HG GLN 25 -5.842 17.541 -17.755 206 2HG GLN 25 2HG GLN 25 -4.372 16.924 -17.000 207 1HE2 GLN 25 2HE2 GLN 25 -4.571 15.499 -15.135 208 2HE2 GLN 25 1HE2 GLN 25 -6.054 14.589 -14.908 209 H LEU 26 H LEU 26 -3.621 20.369 -14.320 210 HA LEU 26 HA LEU 26 -5.411 22.041 -12.925 211 1HB LEU 26 1HB LEU 26 -3.556 21.069 -11.814 212 2HB LEU 26 2HB LEU 26 -2.386 21.931 -12.844 213 HG LEU 26 HG LEU 26 -2.316 22.712 -10.647 214 1HD1 LEU 26 1HD1 LEU 26 -2.093 24.419 -12.524 215 2HD1 LEU 26 2HD1 LEU 26 -3.729 24.966 -12.071 216 3HD1 LEU 26 3HD1 LEU 26 -2.430 25.028 -10.887 217 1HD2 LEU 26 1HD2 LEU 26 -4.538 22.046 -9.949 218 2HD2 LEU 26 2HD2 LEU 26 -4.191 23.736 -9.508 219 3HD2 LEU 26 3HD2 LEU 26 -5.253 23.377 -10.902 220 H GLY 27 H GLY 27 -2.801 22.945 -15.209 221 1HA GLY 27 1HA GLY 27 -3.194 25.772 -15.189 222 2HA GLY 27 2HA GLY 27 -2.529 24.846 -16.555 223 H GLU 28 H GLU 28 -4.425 23.404 -17.715 224 HA GLU 28 HA GLU 28 -6.115 25.234 -18.926 225 1HB GLU 28 1HB GLU 28 -5.718 22.885 -19.686 226 2HB GLU 28 2HB GLU 28 -6.907 22.336 -18.484 227 1HG GLU 28 1HG GLU 28 -8.626 23.818 -19.566 228 2HG GLU 28 2HG GLU 28 -7.413 24.349 -20.739 229 H GLU 29 H GLU 29 -6.832 23.435 -15.995 230 HA GLU 29 HA GLU 29 -9.529 24.362 -15.688 231 1HB GLU 29 1HB GLU 29 -8.757 22.323 -14.649 232 2HB GLU 29 2HB GLU 29 -7.657 23.219 -13.581 233 1HG GLU 29 1HG GLU 29 -9.424 24.189 -12.367 234 2HG GLU 29 2HG GLU 29 -10.626 23.793 -13.607 235 H LEU 30 H LEU 30 -6.428 25.688 -14.412 236 HA LEU 30 HA LEU 30 -7.797 27.744 -12.906 237 1HB LEU 30 1HB LEU 30 -4.945 27.231 -13.850 238 2HB LEU 30 2HB LEU 30 -5.359 28.875 -13.426 239 HG LEU 30 HG LEU 30 -5.470 26.512 -11.505 240 1HD1 LEU 30 1HD1 LEU 30 -3.206 27.320 -12.209 241 2HD1 LEU 30 2HD1 LEU 30 -3.643 28.937 -11.621 242 3HD1 LEU 30 3HD1 LEU 30 -3.550 27.574 -10.487 243 1HD2 LEU 30 1HD2 LEU 30 -5.994 29.509 -11.059 244 2HD2 LEU 30 2HD2 LEU 30 -7.179 28.207 -10.825 245 3HD2 LEU 30 3HD2 LEU 30 -5.771 28.318 -9.770 246 H LEU 31 H LEU 31 -6.594 27.495 -16.219 247 HA LEU 31 HA LEU 31 -7.278 30.259 -16.924 248 1HB LEU 31 1HB LEU 31 -6.892 27.706 -18.504 249 2HB LEU 31 2HB LEU 31 -7.189 29.278 -19.254 250 HG LEU 31 HG LEU 31 -5.131 30.098 -18.796 251 1HD1 LEU 31 1HD1 LEU 31 -5.225 29.890 -16.239 252 2HD1 LEU 31 2HD1 LEU 31 -4.405 28.335 -16.448 253 3HD1 LEU 31 3HD1 LEU 31 -3.698 29.831 -17.041 254 1HD2 LEU 31 1HD2 LEU 31 -4.996 27.977 -20.070 255 2HD2 LEU 31 2HD2 LEU 31 -3.499 28.332 -19.162 256 3HD2 LEU 31 3HD2 LEU 31 -4.639 27.124 -18.556 257 H ALA 32 H ALA 32 -9.043 27.244 -16.703 258 HA ALA 32 HA ALA 32 -11.397 28.166 -17.994 259 1HB ALA 32 1HB ALA 32 -10.879 25.757 -17.318 260 2HB ALA 32 2HB ALA 32 -11.404 26.190 -15.677 261 3HB ALA 32 3HB ALA 32 -12.537 26.308 -17.013 262 H GLN 33 H GLN 33 -9.923 29.080 -15.002 263 HA GLN 33 HA GLN 33 -12.358 30.367 -13.943 264 1HB GLN 33 1HB GLN 33 -10.026 29.171 -12.780 265 2HB GLN 33 2HB GLN 33 -9.899 30.910 -12.478 266 1HG GLN 33 1HG GLN 33 -12.199 30.886 -11.529 267 2HG GLN 33 2HG GLN 33 -12.297 29.140 -11.824 268 1HE2 GLN 33 2HE2 GLN 33 -10.261 27.884 -10.887 269 2HE2 GLN 33 1HE2 GLN 33 -9.826 28.337 -9.251 270 H GLY 34 H GLY 34 -9.212 30.919 -15.341 271 1HA GLY 34 1HA GLY 34 -9.190 32.743 -17.067 272 2HA GLY 34 2HA GLY 34 -9.757 33.827 -15.797 273 H ASP 35 H ASP 35 -7.464 31.482 -14.589 274 HA ASP 35 HA ASP 35 -5.586 33.737 -14.299 275 1HB ASP 35 1HB ASP 35 -6.252 32.226 -12.418 276 2HB ASP 35 2HB ASP 35 -5.182 31.009 -13.121 277 H TYR 36 H TYR 36 -5.498 33.465 -16.805 278 HA TYR 36 HA TYR 36 -3.895 31.798 -18.294 279 1HB TYR 36 1HB TYR 36 -3.702 34.773 -18.569 280 2HB TYR 36 2HB TYR 36 -3.685 33.528 -19.818 281 HD1 TYR 36 HD1 TYR 36 -6.030 31.986 -19.659 282 HD2 TYR 36 HD2 TYR 36 -5.585 36.141 -18.589 283 HE1 TYR 36 HE1 TYR 36 -8.450 32.332 -20.006 284 HE2 TYR 36 HE2 TYR 36 -8.009 36.484 -18.941 285 HH TYR 36 HH TYR 36 -10.194 33.835 -19.946 286 H GLU 37 H GLU 37 -2.813 34.390 -16.252 287 HA GLU 37 HA GLU 37 -0.070 34.299 -16.917 288 1HB GLU 37 1HB GLU 37 -1.240 35.110 -14.220 289 2HB GLU 37 2HB GLU 37 0.336 35.562 -14.898 290 1HG GLU 37 1HG GLU 37 -2.407 36.395 -15.963 291 2HG GLU 37 2HG GLU 37 -1.228 37.417 -15.148 292 H LYS 38 H LYS 38 -1.886 32.558 -14.491 293 HA LYS 38 HA LYS 38 0.479 31.085 -13.603 294 1HB LYS 38 1HB LYS 38 -2.457 30.985 -12.960 295 2HB LYS 38 2HB LYS 38 -1.592 29.484 -12.756 296 1HG LYS 38 1HG LYS 38 -0.530 32.036 -11.519 297 2HG LYS 38 2HG LYS 38 -1.741 31.045 -10.703 298 1HD LYS 38 1HD LYS 38 -0.375 29.236 -10.384 299 2HD LYS 38 2HD LYS 38 0.653 29.547 -11.779 300 1HE LYS 38 1HE LYS 38 0.707 31.377 -9.355 301 2HE LYS 38 2HE LYS 38 1.652 29.878 -9.425 302 1HZ LYS 38 1HZ LYS 38 1.864 32.000 -11.440 303 2HZ LYS 38 2HZ LYS 38 2.907 31.779 -10.179 304 3HZ LYS 38 3HZ LYS 38 2.768 30.622 -11.330 305 H GLY 39 H GLY 39 -1.989 30.598 -16.089 306 1HA GLY 39 1HA GLY 39 -1.366 27.862 -16.652 307 2HA GLY 39 2HA GLY 39 -1.940 29.057 -17.840 308 H VAL 40 H VAL 40 0.119 30.965 -17.690 309 HA VAL 40 HA VAL 40 1.889 29.741 -19.597 310 HB VAL 40 HB VAL 40 2.120 32.393 -18.069 311 1HG1 VAL 40 1HG1 VAL 40 3.889 31.252 -20.241 312 2HG1 VAL 40 2HG1 VAL 40 3.827 32.968 -19.816 313 3HG1 VAL 40 3HG1 VAL 40 4.372 31.796 -18.621 314 1HG2 VAL 40 1HG2 VAL 40 1.284 31.730 -20.934 315 2HG2 VAL 40 2HG2 VAL 40 0.300 32.508 -19.689 316 3HG2 VAL 40 3HG2 VAL 40 1.678 33.355 -20.383 317 H ASP 41 H ASP 41 2.327 30.605 -16.220 318 HA ASP 41 HA ASP 41 5.020 29.710 -15.910 319 1HB ASP 41 1HB ASP 41 4.153 31.201 -14.277 320 2HB ASP 41 2HB ASP 41 2.747 30.170 -13.957 321 H HIS 42 H HIS 42 1.992 28.095 -15.110 322 HA HIS 42 HA HIS 42 3.143 25.631 -14.253 323 1HB HIS 42 1HB HIS 42 0.352 26.416 -15.164 324 2HB HIS 42 2HB HIS 42 0.754 24.737 -14.847 325 HD1 HIS 42 HD1 HIS 42 2.258 24.538 -12.368 326 HD2 HIS 42 HD2 HIS 42 -0.783 27.387 -12.840 327 HE1 HIS 42 HE1 HIS 42 1.469 25.202 -10.042 328 H LEU 43 H LEU 43 2.051 26.784 -17.478 329 HA LEU 43 HA LEU 43 2.491 24.134 -18.569 330 1HB LEU 43 1HB LEU 43 1.129 26.155 -19.642 331 2HB LEU 43 2HB LEU 43 2.706 26.541 -20.348 332 HG LEU 43 HG LEU 43 2.686 23.960 -20.956 333 1HD1 LEU 43 1HD1 LEU 43 0.603 23.403 -19.620 334 2HD1 LEU 43 2HD1 LEU 43 -0.321 24.520 -20.640 335 3HD1 LEU 43 3HD1 LEU 43 0.390 23.062 -21.344 336 1HD2 LEU 43 1HD2 LEU 43 0.831 25.973 -22.320 337 2HD2 LEU 43 2HD2 LEU 43 2.560 25.713 -22.663 338 3HD2 LEU 43 3HD2 LEU 43 1.380 24.448 -23.050 339 H THR 44 H THR 44 4.471 27.110 -18.241 340 HA THR 44 HA THR 44 6.749 26.223 -19.592 341 HB THR 44 HB THR 44 6.649 28.015 -17.164 342 HG1 THR 44 HG1 THR 44 6.770 28.425 -19.973 343 1HG2 THR 44 1HG2 THR 44 8.892 27.440 -19.149 344 2HG2 THR 44 2HG2 THR 44 8.855 28.808 -18.016 345 3HG2 THR 44 3HG2 THR 44 8.931 27.154 -17.394 346 H ASN 45 H ASN 45 5.583 25.481 -16.372 347 HA ASN 45 HA ASN 45 7.918 24.036 -15.459 348 1HB ASN 45 1HB ASN 45 5.142 24.333 -14.388 349 2HB ASN 45 2HB ASN 45 6.213 23.061 -13.770 350 1HD2 ASN 45 2HD2 ASN 45 5.923 26.612 -14.155 351 2HD2 ASN 45 1HD2 ASN 45 7.021 26.996 -12.865 352 H ALA 46 H ALA 46 4.827 23.083 -17.021 353 HA ALA 46 HA ALA 46 5.205 20.317 -16.910 354 1HB ALA 46 1HB ALA 46 3.101 21.446 -17.525 355 2HB ALA 46 2HB ALA 46 3.764 21.816 -19.128 356 3HB ALA 46 3HB ALA 46 3.520 20.141 -18.615 357 H ILE 47 H ILE 47 6.398 22.767 -19.247 358 HA ILE 47 HA ILE 47 7.853 20.919 -20.906 359 HB ILE 47 HB ILE 47 8.237 23.893 -20.479 360 1HG1 ILE 47 1HG1 ILE 47 7.512 23.947 -22.966 361 2HG1 ILE 47 2HG1 ILE 47 6.978 22.272 -22.764 362 1HG2 ILE 47 1HG2 ILE 47 9.843 22.148 -22.296 363 2HG2 ILE 47 2HG2 ILE 47 9.769 23.925 -22.391 364 3HG2 ILE 47 3HG2 ILE 47 10.419 23.167 -20.966 365 1HD1 ILE 47 1HD1 ILE 47 6.061 24.639 -21.103 366 2HD1 ILE 47 2HD1 ILE 47 5.200 24.044 -22.521 367 3HD1 ILE 47 3HD1 ILE 47 5.351 22.986 -21.120 368 H ALA 48 H ALA 48 8.660 22.531 -17.931 369 HA ALA 48 HA ALA 48 11.473 22.072 -18.041 370 1HB ALA 48 1HB ALA 48 10.442 23.733 -16.493 371 2HB ALA 48 2HB ALA 48 9.845 22.379 -15.495 372 3HB ALA 48 3HB ALA 48 11.581 22.619 -15.712 373 H VAL 49 H VAL 49 8.778 20.030 -17.093 374 HA VAL 49 HA VAL 49 10.696 17.971 -16.084 375 HB VAL 49 HB VAL 49 8.871 16.883 -15.179 376 1HG1 VAL 49 1HG1 VAL 49 9.836 19.009 -14.100 377 2HG1 VAL 49 2HG1 VAL 49 8.346 19.823 -14.609 378 3HG1 VAL 49 3HG1 VAL 49 8.272 18.441 -13.498 379 1HG2 VAL 49 1HG2 VAL 49 7.154 17.420 -17.029 380 2HG2 VAL 49 2HG2 VAL 49 6.597 17.387 -15.374 381 3HG2 VAL 49 3HG2 VAL 49 6.895 18.949 -16.159 382 H CYS 50 H CYS 50 8.872 18.821 -18.951 383 HA CYS 50 HA CYS 50 8.843 16.009 -19.903 384 1HB CYS 50 1HB CYS 50 6.968 17.294 -20.448 385 2HB CYS 50 2HB CYS 50 7.943 18.609 -21.151 386 HG CYS 50 HG CYS 50 6.763 17.317 -23.059 387 H GLY 51 H GLY 51 10.457 19.106 -20.839 388 1HA GLY 51 1HA GLY 51 12.576 19.435 -21.652 389 2HA GLY 51 2HA GLY 51 12.911 17.704 -21.548 390 H GLN 52 H GLN 52 10.022 18.199 -23.225 391 HA GLN 52 HA GLN 52 11.264 18.382 -25.975 392 1HB GLN 52 1HB GLN 52 10.824 16.003 -25.213 393 2HB GLN 52 2HB GLN 52 9.111 16.418 -25.187 394 1HG GLN 52 1HG GLN 52 9.589 15.430 -27.329 395 2HG GLN 52 2HG GLN 52 9.339 17.162 -27.598 396 1HE2 GLN 52 2HE2 GLN 52 12.040 14.852 -26.891 397 2HE2 GLN 52 1HE2 GLN 52 13.173 15.633 -27.975 398 HA PRO 53 HA PRO 53 7.814 21.357 -24.752 399 1HB PRO 53 1HB PRO 53 8.896 23.544 -26.163 400 2HB PRO 53 2HB PRO 53 9.094 23.205 -24.432 401 1HG PRO 53 1HG PRO 53 10.973 22.469 -26.678 402 2HG PRO 53 2HG PRO 53 11.371 23.205 -25.098 403 1HD PRO 53 1HD PRO 53 11.717 20.607 -25.424 404 2HD PRO 53 2HD PRO 53 10.913 21.189 -23.947 405 H GLN 54 H GLN 54 9.541 21.366 -27.829 406 HA GLN 54 HA GLN 54 7.414 22.228 -29.464 407 1HB GLN 54 1HB GLN 54 9.698 20.357 -30.276 408 2HB GLN 54 2HB GLN 54 8.711 21.355 -31.354 409 1HG GLN 54 1HG GLN 54 9.639 23.416 -30.154 410 2HG GLN 54 2HG GLN 54 10.777 22.348 -29.320 411 1HE2 GLN 54 2HE2 GLN 54 11.507 24.508 -31.079 412 2HE2 GLN 54 1HE2 GLN 54 12.332 23.785 -32.446 413 H GLN 55 H GLN 55 8.106 18.874 -28.490 414 HA GLN 55 HA GLN 55 6.098 17.797 -30.247 415 1HB GLN 55 1HB GLN 55 7.795 16.332 -29.139 416 2HB GLN 55 2HB GLN 55 7.056 16.689 -27.561 417 1HG GLN 55 1HG GLN 55 6.325 14.521 -28.339 418 2HG GLN 55 2HG GLN 55 4.949 15.619 -28.298 419 1HE2 GLN 55 2HE2 GLN 55 7.460 14.270 -30.515 420 2HE2 GLN 55 1HE2 GLN 55 6.436 14.287 -31.937 421 H LEU 56 H LEU 56 6.027 18.856 -26.867 422 HA LEU 56 HA LEU 56 3.298 18.350 -26.593 423 1HB LEU 56 1HB LEU 56 4.827 18.671 -24.641 424 2HB LEU 56 2HB LEU 56 4.920 20.396 -25.028 425 HG LEU 56 HG LEU 56 2.429 20.546 -24.681 426 1HD1 LEU 56 1HD1 LEU 56 2.384 17.730 -24.737 427 2HD1 LEU 56 2HD1 LEU 56 2.339 18.065 -23.033 428 3HD1 LEU 56 3HD1 LEU 56 1.109 18.749 -24.070 429 1HD2 LEU 56 1HD2 LEU 56 4.242 19.706 -22.429 430 2HD2 LEU 56 2HD2 LEU 56 3.929 21.335 -23.041 431 3HD2 LEU 56 3HD2 LEU 56 2.639 20.451 -22.202 432 H LEU 57 H LEU 57 5.015 21.250 -27.798 433 HA LEU 57 HA LEU 57 2.648 22.900 -27.842 434 1HB LEU 57 1HB LEU 57 5.095 23.092 -29.652 435 2HB LEU 57 2HB LEU 57 3.846 24.319 -29.445 436 HG LEU 57 HG LEU 57 5.927 23.490 -27.383 437 1HD1 LEU 57 1HD1 LEU 57 5.492 25.988 -29.000 438 2HD1 LEU 57 2HD1 LEU 57 6.602 25.852 -27.616 439 3HD1 LEU 57 3HD1 LEU 57 6.839 24.851 -29.057 440 1HD2 LEU 57 1HD2 LEU 57 3.548 25.314 -26.963 441 2HD2 LEU 57 2HD2 LEU 57 3.969 23.850 -26.061 442 3HD2 LEU 57 3HD2 LEU 57 4.993 25.277 -25.932 443 H GLN 58 H GLN 58 3.918 20.580 -30.222 444 HA GLN 58 HA GLN 58 1.931 21.235 -32.212 445 1HB GLN 58 1HB GLN 58 3.582 18.737 -31.647 446 2HB GLN 58 2HB GLN 58 2.503 18.889 -33.043 447 1HG GLN 58 1HG GLN 58 3.752 20.678 -33.986 448 2HG GLN 58 2HG GLN 58 4.673 20.954 -32.505 449 1HE2 GLN 58 2HE2 GLN 58 6.264 19.388 -31.834 450 2HE2 GLN 58 1HE2 GLN 58 7.018 18.332 -33.025 451 H VAL 59 H VAL 59 2.060 19.015 -29.455 452 HA VAL 59 HA VAL 59 -0.448 17.793 -29.982 453 HB VAL 59 HB VAL 59 1.607 17.112 -28.405 454 1HG1 VAL 59 1HG1 VAL 59 -0.628 17.926 -26.437 455 2HG1 VAL 59 2HG1 VAL 59 0.731 16.844 -26.067 456 3HG1 VAL 59 3HG1 VAL 59 1.011 18.523 -26.398 457 1HG2 VAL 59 1HG2 VAL 59 0.213 15.661 -29.400 458 2HG2 VAL 59 2HG2 VAL 59 0.399 15.345 -27.670 459 3HG2 VAL 59 3HG2 VAL 59 -1.116 16.080 -28.279 460 H LEU 60 H LEU 60 0.434 20.693 -28.226 461 HA LEU 60 HA LEU 60 -2.233 21.141 -27.053 462 1HB LEU 60 1HB LEU 60 0.360 22.673 -27.385 463 2HB LEU 60 2HB LEU 60 -1.082 23.574 -27.001 464 HG LEU 60 HG LEU 60 0.606 22.835 -25.202 465 1HD1 LEU 60 1HD1 LEU 60 -1.504 24.133 -24.767 466 2HD1 LEU 60 2HD1 LEU 60 -2.435 22.619 -24.760 467 3HD1 LEU 60 3HD1 LEU 60 -1.242 22.937 -23.489 468 1HD2 LEU 60 1HD2 LEU 60 0.357 20.375 -25.552 469 2HD2 LEU 60 2HD2 LEU 60 0.005 20.880 -23.897 470 3HD2 LEU 60 3HD2 LEU 60 -1.318 20.457 -24.999 471 H GLN 61 H GLN 61 -0.528 22.037 -30.077 472 HA GLN 61 HA GLN 61 -2.502 24.066 -30.708 473 1HB GLN 61 1HB GLN 61 -0.295 24.347 -31.574 474 2HB GLN 61 2HB GLN 61 -0.279 22.742 -32.324 475 1HG GLN 61 1HG GLN 61 -1.836 23.425 -34.042 476 2HG GLN 61 2HG GLN 61 -2.160 24.962 -33.215 477 1HE2 GLN 61 2HE2 GLN 61 -1.612 25.776 -35.440 478 2HE2 GLN 61 1HE2 GLN 61 0.080 26.084 -35.779 479 H GLN 62 H GLN 62 -2.248 20.617 -31.218 480 HA GLN 62 HA GLN 62 -4.341 20.602 -33.291 481 1HB GLN 62 1HB GLN 62 -3.621 18.503 -33.847 482 2HB GLN 62 2HB GLN 62 -2.136 19.327 -33.354 483 1HG GLN 62 1HG GLN 62 -2.479 18.239 -31.052 484 2HG GLN 62 2HG GLN 62 -3.779 17.283 -31.782 485 1HE2 GLN 62 2HE2 GLN 62 -0.362 18.212 -32.505 486 2HE2 GLN 62 1HE2 GLN 62 0.128 16.605 -33.024 487 H THR 63 H THR 63 -4.037 19.957 -29.820 488 HA THR 63 HA THR 63 -6.440 18.318 -29.788 489 HB THR 63 HB THR 63 -4.617 17.894 -28.313 490 HG1 THR 63 HG1 THR 63 -6.240 17.983 -26.386 491 1HG2 THR 63 1HG2 THR 63 -4.381 20.487 -27.710 492 2HG2 THR 63 2HG2 THR 63 -5.470 19.991 -26.389 493 3HG2 THR 63 3HG2 THR 63 -3.894 19.209 -26.602 494 H LEU 64 H LEU 64 -5.651 21.707 -29.309 495 HA LEU 64 HA LEU 64 -8.315 22.486 -29.901 496 1HB LEU 64 1HB LEU 64 -9.238 23.286 -27.953 497 2HB LEU 64 2HB LEU 64 -8.580 21.760 -27.412 498 HG LEU 64 HG LEU 64 -7.281 24.496 -26.961 499 1HD1 LEU 64 1HD1 LEU 64 -8.919 22.736 -25.101 500 2HD1 LEU 64 2HD1 LEU 64 -8.079 24.234 -24.653 501 3HD1 LEU 64 3HD1 LEU 64 -9.428 24.289 -25.800 502 1HD2 LEU 64 1HD2 LEU 64 -5.640 22.591 -26.908 503 2HD2 LEU 64 2HD2 LEU 64 -5.895 23.309 -25.310 504 3HD2 LEU 64 3HD2 LEU 64 -6.689 21.777 -25.722 505 HA PRO 65 HA PRO 65 -5.910 26.062 -31.024 506 1HB PRO 65 1HB PRO 65 -7.730 28.109 -31.023 507 2HB PRO 65 2HB PRO 65 -7.644 26.832 -32.266 508 1HG PRO 65 1HG PRO 65 -9.476 26.935 -29.860 509 2HG PRO 65 2HG PRO 65 -9.909 26.580 -31.557 510 1HD PRO 65 1HD PRO 65 -9.510 24.599 -29.762 511 2HD PRO 65 2HD PRO 65 -8.919 24.416 -31.438 512 HA PRO 66 HA PRO 66 -5.406 27.427 -26.648 513 1HB PRO 66 1HB PRO 66 -2.808 27.247 -26.381 514 2HB PRO 66 2HB PRO 66 -3.797 25.813 -26.724 515 1HG PRO 66 1HG PRO 66 -2.072 27.305 -28.709 516 2HG PRO 66 2HG PRO 66 -2.317 25.556 -28.505 517 1HD PRO 66 1HD PRO 66 -3.725 27.358 -30.249 518 2HD PRO 66 2HD PRO 66 -4.086 25.648 -29.933 519 HA PRO 67 HA PRO 67 -4.562 31.791 -27.956 520 1HB PRO 67 1HB PRO 67 -6.095 33.090 -26.127 521 2HB PRO 67 2HB PRO 67 -6.802 32.282 -27.555 522 1HG PRO 67 1HG PRO 67 -6.624 31.208 -24.731 523 2HG PRO 67 2HG PRO 67 -8.035 31.214 -25.820 524 1HD PRO 67 1HD PRO 67 -6.403 29.034 -25.532 525 2HD PRO 67 2HD PRO 67 -7.201 29.434 -27.082 526 H VAL 68 H VAL 68 -4.625 30.343 -24.740 527 HA VAL 68 HA VAL 68 -2.992 32.129 -23.284 528 HB VAL 68 HB VAL 68 -3.515 29.130 -22.972 529 1HG1 VAL 68 1HG1 VAL 68 -1.823 30.979 -21.268 530 2HG1 VAL 68 2HG1 VAL 68 -2.482 29.422 -20.722 531 3HG1 VAL 68 3HG1 VAL 68 -1.333 29.455 -22.049 532 1HG2 VAL 68 1HG2 VAL 68 -5.395 30.767 -22.584 533 2HG2 VAL 68 2HG2 VAL 68 -4.894 29.953 -21.104 534 3HG2 VAL 68 3HG2 VAL 68 -4.371 31.618 -21.410 535 H PHE 69 H PHE 69 -2.148 29.251 -25.163 536 HA PHE 69 HA PHE 69 0.645 29.101 -24.859 537 1HB PHE 69 1HB PHE 69 -0.416 27.437 -26.152 538 2HB PHE 69 2HB PHE 69 -1.224 28.650 -27.146 539 HD1 PHE 69 HD1 PHE 69 2.248 27.455 -26.380 540 HD2 PHE 69 HD2 PHE 69 -0.484 29.109 -29.271 541 HE1 PHE 69 HE1 PHE 69 3.984 27.289 -28.130 542 HE2 PHE 69 HE2 PHE 69 1.261 28.936 -31.028 543 HZ PHE 69 HZ PHE 69 3.503 28.021 -30.461 544 H GLN 70 H GLN 70 -1.195 31.217 -27.022 545 HA GLN 70 HA GLN 70 1.046 32.478 -28.238 546 1HB GLN 70 1HB GLN 70 -1.794 32.691 -28.432 547 2HB GLN 70 2HB GLN 70 -1.238 34.299 -27.983 548 1HG GLN 70 1HG GLN 70 -1.260 34.141 -30.389 549 2HG GLN 70 2HG GLN 70 0.425 34.216 -29.853 550 1HE2 GLN 70 1HE2 GLN 70 -2.068 31.589 -30.221 551 2HE2 GLN 70 2HE2 GLN 70 -1.030 30.530 -31.154 552 H MET 71 H MET 71 -0.638 33.134 -25.231 553 HA MET 71 HA MET 71 0.777 35.602 -24.667 554 1HB MET 71 1HB MET 71 -0.846 33.914 -22.716 555 2HB MET 71 2HB MET 71 -0.323 35.592 -22.566 556 1HG MET 71 1HG MET 71 -1.710 35.763 -24.919 557 2HG MET 71 2HG MET 71 -2.595 34.450 -24.146 558 1HE MET 71 1HE MET 71 -3.880 34.707 -21.867 559 2HE MET 71 2HE MET 71 -2.398 35.276 -21.051 560 3HE MET 71 3HE MET 71 -3.909 36.200 -20.899 561 H LEU 72 H LEU 72 1.209 32.110 -23.992 562 HA LEU 72 HA LEU 72 3.291 32.434 -22.087 563 1HB LEU 72 1HB LEU 72 2.602 30.259 -22.032 564 2HB LEU 72 2HB LEU 72 2.187 30.246 -23.726 565 HG LEU 72 HG LEU 72 4.583 30.053 -24.305 566 1HD1 LEU 72 1HD1 LEU 72 5.549 30.861 -22.070 567 2HD1 LEU 72 2HD1 LEU 72 4.890 29.400 -21.320 568 3HD1 LEU 72 3HD1 LEU 72 6.158 29.269 -22.548 569 1HD2 LEU 72 1HD2 LEU 72 3.064 28.123 -24.259 570 2HD2 LEU 72 2HD2 LEU 72 4.688 27.647 -23.729 571 3HD2 LEU 72 3HD2 LEU 72 3.398 27.891 -22.530 572 H LEU 73 H LEU 73 3.135 32.316 -25.580 573 HA LEU 73 HA LEU 73 5.989 32.589 -25.992 574 1HB LEU 73 1HB LEU 73 3.801 33.539 -27.882 575 2HB LEU 73 2HB LEU 73 5.479 33.200 -28.286 576 HG LEU 73 HG LEU 73 3.303 31.156 -27.715 577 1HD1 LEU 73 1HD1 LEU 73 3.276 32.391 -29.777 578 2HD1 LEU 73 2HD1 LEU 73 4.960 31.916 -30.099 579 3HD1 LEU 73 3HD1 LEU 73 3.670 30.678 -30.026 580 1HD2 LEU 73 1HD2 LEU 73 6.288 30.716 -28.094 581 2HD2 LEU 73 2HD2 LEU 73 5.298 30.234 -26.694 582 3HD2 LEU 73 3HD2 LEU 73 5.044 29.466 -28.263 583 H THR 74 H THR 74 3.604 34.902 -25.211 584 HA THR 74 HA THR 74 5.334 37.116 -26.096 585 HB THR 74 HB THR 74 2.772 37.008 -26.461 586 HG1 THR 74 HG1 THR 74 4.193 38.619 -27.151 587 1HG2 THR 74 1HG2 THR 74 2.335 37.021 -23.930 588 2HG2 THR 74 2HG2 THR 74 3.027 38.650 -23.912 589 3HG2 THR 74 3HG2 THR 74 1.556 38.316 -24.863 590 H LYS 75 H LYS 75 4.519 35.273 -23.245 591 HA LYS 75 HA LYS 75 5.462 37.302 -21.406 592 1HB LYS 75 1HB LYS 75 4.065 34.823 -21.229 593 2HB LYS 75 2HB LYS 75 5.644 34.475 -20.537 594 1HG LYS 75 1HG LYS 75 4.225 35.024 -18.814 595 2HG LYS 75 2HG LYS 75 5.380 36.362 -19.032 596 1HD LYS 75 1HD LYS 75 3.202 37.216 -18.429 597 2HD LYS 75 2HD LYS 75 3.544 37.697 -20.103 598 1HE LYS 75 1HE LYS 75 2.039 35.859 -20.895 599 2HE LYS 75 2HE LYS 75 1.786 35.373 -19.199 600 1HZ LYS 75 1HZ LYS 75 0.904 37.567 -18.799 601 2HZ LYS 75 2HZ LYS 75 0.960 37.919 -20.415 602 3HZ LYS 75 3HZ LYS 75 -0.012 36.712 -19.806 603 H LEU 76 H LEU 76 6.862 34.512 -23.055 604 HA LEU 76 HA LEU 76 9.317 34.336 -21.721 605 1HB LEU 76 1HB LEU 76 8.373 33.620 -24.498 606 2HB LEU 76 2HB LEU 76 10.046 33.304 -24.008 607 HG LEU 76 HG LEU 76 7.567 32.145 -22.592 608 1HD1 LEU 76 1HD1 LEU 76 9.258 30.994 -24.827 609 2HD1 LEU 76 2HD1 LEU 76 8.016 30.125 -23.893 610 3HD1 LEU 76 3HD1 LEU 76 7.557 31.483 -24.920 611 1HD2 LEU 76 1HD2 LEU 76 10.510 31.328 -22.602 612 2HD2 LEU 76 2HD2 LEU 76 9.662 32.100 -21.242 613 3HD2 LEU 76 3HD2 LEU 76 9.184 30.482 -21.780 614 HA PRO 77 HA PRO 77 11.661 37.375 -24.354 615 1HB PRO 77 1HB PRO 77 10.764 38.517 -26.612 616 2HB PRO 77 2HB PRO 77 11.182 36.778 -26.591 617 1HG PRO 77 1HG PRO 77 8.407 37.997 -26.250 618 2HG PRO 77 2HG PRO 77 8.902 36.722 -27.398 619 1HD PRO 77 1HD PRO 77 7.832 36.135 -24.911 620 2HD PRO 77 2HD PRO 77 9.106 35.135 -25.708 621 H THR 78 H THR 78 12.003 39.583 -23.987 622 HA THR 78 HA THR 78 9.680 41.314 -23.291 623 HB THR 78 HB THR 78 12.328 40.901 -21.832 624 HG1 THR 78 HG1 THR 78 10.923 40.239 -20.192 625 1HG2 THR 78 1HG2 THR 78 10.079 42.888 -21.355 626 2HG2 THR 78 2HG2 THR 78 11.420 42.554 -20.226 627 3HG2 THR 78 3HG2 THR 78 11.758 43.279 -21.809 628 H ILE 79 H ILE 79 13.149 41.180 -24.194 629 HA ILE 79 HA ILE 79 13.404 43.894 -24.924 630 HB ILE 79 HB ILE 79 14.951 41.456 -25.952 631 1HG1 ILE 79 1HG1 ILE 79 16.764 42.369 -24.410 632 2HG1 ILE 79 2HG1 ILE 79 15.524 43.346 -23.621 633 1HG2 ILE 79 1HG2 ILE 79 15.599 44.421 -26.130 634 2HG2 ILE 79 2HG2 ILE 79 16.727 43.109 -26.527 635 3HG2 ILE 79 3HG2 ILE 79 15.265 43.309 -27.479 636 1HD1 ILE 79 1HD1 ILE 79 15.335 40.310 -23.919 637 2HD1 ILE 79 2HD1 ILE 79 16.193 41.091 -22.578 638 3HD1 ILE 79 3HD1 ILE 79 14.461 41.354 -22.764 639 H SER 80 H SER 80 12.600 41.056 -26.803 640 HA SER 80 HA SER 80 12.507 42.103 -29.375 641 1HB SER 80 1HB SER 80 12.133 39.700 -28.777 642 2HB SER 80 2HB SER 80 10.490 40.125 -28.242 643 HG SER 80 HG SER 80 11.561 40.486 -30.848 644 H GLN 81 H GLN 81 9.842 42.154 -26.964 645 HA GLN 81 HA GLN 81 8.007 43.531 -28.593 646 1HB GLN 81 1HB GLN 81 8.177 43.515 -25.553 647 2HB GLN 81 2HB GLN 81 6.801 44.041 -26.539 648 1HG GLN 81 1HG GLN 81 6.909 41.676 -27.618 649 2HG GLN 81 2HG GLN 81 7.908 41.225 -26.229 650 1HE2 GLN 81 2HE2 GLN 81 6.899 41.307 -24.062 651 2HE2 GLN 81 1HE2 GLN 81 5.152 41.288 -23.925 652 H ARG 82 H ARG 82 10.583 44.724 -26.523 653 HA ARG 82 HA ARG 82 9.796 47.478 -26.621 654 1HB ARG 82 1HB ARG 82 11.380 46.544 -24.946 655 2HB ARG 82 2HB ARG 82 12.627 46.456 -26.213 656 1HG ARG 82 1HG ARG 82 12.460 48.896 -26.553 657 2HG ARG 82 2HG ARG 82 11.182 48.981 -25.321 658 1HD ARG 82 1HD ARG 82 12.767 48.113 -23.626 659 2HD ARG 82 2HD ARG 82 14.040 48.024 -24.868 660 HE ARG 82 HE ARG 82 12.988 50.656 -24.846 661 1HH1 ARG 82 1HH1 ARG 82 14.904 48.528 -22.768 662 2HH1 ARG 82 2HH1 ARG 82 15.760 49.826 -21.981 663 1HH2 ARG 82 1HH2 ARG 82 14.105 52.378 -23.814 664 2HH2 ARG 82 2HH2 ARG 82 15.295 52.046 -22.587 665 H ILE 83 H ILE 83 11.895 45.495 -28.802 666 HA ILE 83 HA ILE 83 12.842 47.690 -30.322 667 HB ILE 83 HB ILE 83 12.234 44.908 -31.488 668 1HG1 ILE 83 1HG1 ILE 83 13.297 44.297 -29.691 669 2HG1 ILE 83 2HG1 ILE 83 14.480 44.302 -31.019 670 1HG2 ILE 83 1HG2 ILE 83 12.865 46.595 -33.171 671 2HG2 ILE 83 2HG2 ILE 83 14.345 46.962 -32.259 672 3HG2 ILE 83 3HG2 ILE 83 14.107 45.365 -32.991 673 1HD1 ILE 83 1HD1 ILE 83 15.401 46.440 -30.075 674 2HD1 ILE 83 2HD1 ILE 83 14.311 46.225 -28.670 675 3HD1 ILE 83 3HD1 ILE 83 15.568 45.024 -29.012 676 H VAL 84 H VAL 84 10.101 45.489 -30.824 677 HA VAL 84 HA VAL 84 9.057 46.825 -33.118 678 HB VAL 84 HB VAL 84 7.468 45.291 -31.008 679 1HG1 VAL 84 1HG1 VAL 84 6.798 45.975 -33.901 680 2HG1 VAL 84 2HG1 VAL 84 5.868 44.865 -32.874 681 3HG1 VAL 84 3HG1 VAL 84 5.966 46.575 -32.450 682 1HG2 VAL 84 1HG2 VAL 84 8.740 44.290 -33.600 683 2HG2 VAL 84 2HG2 VAL 84 9.282 43.876 -31.963 684 3HG2 VAL 84 3HG2 VAL 84 7.697 43.340 -32.523 685 H SER 85 H SER 85 8.385 47.398 -29.724 686 HA SER 85 HA SER 85 6.597 49.593 -30.251 687 1HB SER 85 1HB SER 85 7.992 48.829 -27.669 688 2HB SER 85 2HB SER 85 6.564 49.872 -27.846 689 HG SER 85 HG SER 85 6.785 47.095 -28.383 690 H ALA 86 H ALA 86 8.960 50.038 -31.654 691 HA ALA 86 HA ALA 86 9.630 52.691 -30.833 692 1HB ALA 86 1HB ALA 86 11.819 50.571 -30.551 693 2HB ALA 86 2HB ALA 86 12.089 52.326 -30.545 694 3HB ALA 86 3HB ALA 86 11.146 51.571 -29.252 695 H GLN 87 H GLN 87 11.123 49.995 -32.568 696 HA GLN 87 HA GLN 87 12.299 51.126 -34.702 697 1HB GLN 87 1HB GLN 87 12.304 48.701 -34.213 698 2HB GLN 87 2HB GLN 87 10.643 48.574 -34.823 699 1HG GLN 87 1HG GLN 87 11.418 49.227 -37.075 700 2HG GLN 87 2HG GLN 87 13.053 49.494 -36.445 701 1HE2 GLN 87 2HE2 GLN 87 10.501 46.920 -36.546 702 2HE2 GLN 87 1HE2 GLN 87 11.633 45.605 -36.802 703 H SER 88 H SER 88 9.029 50.274 -34.654 704 HA SER 88 HA SER 88 8.319 52.213 -36.813 705 1HB SER 88 1HB SER 88 6.601 50.553 -37.560 706 2HB SER 88 2HB SER 88 8.277 50.008 -37.795 707 HG SER 88 HG SER 88 6.813 48.434 -36.808 708 H LEU 89 H LEU 89 8.373 52.418 -33.938 709 HA LEU 89 HA LEU 89 7.164 52.788 -32.069 710 1HB LEU 89 1HB LEU 89 5.637 54.760 -32.309 711 2HB LEU 89 2HB LEU 89 7.295 54.894 -32.872 712 HG LEU 89 HG LEU 89 6.477 54.554 -35.248 713 1HD1 LEU 89 1HD1 LEU 89 3.775 55.159 -33.941 714 2HD1 LEU 89 2HD1 LEU 89 4.109 55.161 -35.686 715 3HD1 LEU 89 3HD1 LEU 89 4.200 53.654 -34.776 716 1HD2 LEU 89 1HD2 LEU 89 5.530 56.984 -33.686 717 2HD2 LEU 89 2HD2 LEU 89 7.161 56.722 -34.343 718 3HD2 LEU 89 3HD2 LEU 89 5.786 56.905 -35.443 719 H GLY 90 H GLY 90 6.489 50.383 -32.915 720 1HA GLY 90 1HA GLY 90 4.925 48.883 -31.989 721 2HA GLY 90 2HA GLY 90 3.675 50.131 -31.960 722 H GLU 91 H GLU 91 3.439 51.109 -34.428 723 HA GLU 91 HA GLU 91 3.532 49.043 -36.469 724 1HB GLU 91 1HB GLU 91 1.456 48.503 -35.206 725 2HB GLU 91 2HB GLU 91 0.860 50.149 -35.480 726 1HG GLU 91 1HG GLU 91 0.794 49.732 -37.914 727 2HG GLU 91 2HG GLU 91 1.510 48.126 -37.672 728 H ASP 92 H ASP 92 3.341 50.055 -38.625 729 HA ASP 92 HA ASP 92 2.765 52.924 -38.776 730 1HB ASP 92 1HB ASP 92 5.209 52.716 -38.293 731 2HB ASP 92 2HB ASP 92 5.384 51.633 -39.686 732 H ASP 93 H ASP 93 2.638 53.548 -41.173 733 HA ASP 93 HA ASP 93 1.255 51.386 -42.626 734 1HB ASP 93 1HB ASP 93 0.347 53.086 -44.022 735 2HB ASP 93 2HB ASP 93 0.197 53.598 -42.343 736 H VAL 94 H VAL 94 1.529 51.618 -45.139 737 HA VAL 94 HA VAL 94 4.347 51.822 -45.984 738 HB VAL 94 HB VAL 94 2.611 49.327 -46.339 739 1HG1 VAL 94 1HG1 VAL 94 5.413 49.969 -47.358 740 2HG1 VAL 94 2HG1 VAL 94 4.664 48.360 -47.401 741 3HG1 VAL 94 3HG1 VAL 94 3.964 49.671 -48.347 742 1HG2 VAL 94 1HG2 VAL 94 5.173 49.747 -44.741 743 2HG2 VAL 94 2HG2 VAL 94 3.569 49.346 -44.085 744 3HG2 VAL 94 3HG2 VAL 94 4.431 48.170 -45.076 745 H GLU 95 H GLU 95 4.521 52.215 -48.228 746 HA GLU 95 HA GLU 95 2.066 52.538 -49.838 747 1HB GLU 95 1HB GLU 95 2.633 54.740 -48.769 748 2HB GLU 95 2HB GLU 95 4.247 54.649 -49.499 749 1HG GLU 95 1HG GLU 95 3.213 54.631 -51.760 750 2HG GLU 95 2HG GLU 95 1.603 54.686 -51.025 751 1H GLY 1 1H GLY 1 -13.350 20.102 -22.062 752 2H GLY 1 2H GLY 1 -14.892 20.705 -22.169 753 3H GLY 1 3H GLY 1 -13.580 21.716 -22.206 754 1HA GLY 1 1HA GLY 1 -14.594 21.851 -20.082 755 2HA GLY 1 2HA GLY 1 -14.418 20.085 -19.919 756 HA PRO 2 HA PRO 2 -10.483 22.397 -18.499 757 1HB PRO 2 1HB PRO 2 -10.769 22.395 -15.783 758 2HB PRO 2 2HB PRO 2 -11.577 23.580 -16.837 759 1HG PRO 2 1HG PRO 2 -12.752 21.033 -15.715 760 2HG PRO 2 2HG PRO 2 -13.424 22.683 -15.619 761 1HD PRO 2 1HD PRO 2 -14.188 20.915 -17.562 762 2HD PRO 2 2HD PRO 2 -14.028 22.665 -17.896 763 H ARG 3 H ARG 3 -10.337 20.007 -19.553 764 HA ARG 3 HA ARG 3 -8.559 18.466 -17.806 765 1HB ARG 3 1HB ARG 3 -11.096 17.227 -19.003 766 2HB ARG 3 2HB ARG 3 -9.655 16.322 -18.537 767 1HG ARG 3 1HG ARG 3 -10.854 16.041 -16.642 768 2HG ARG 3 2HG ARG 3 -9.899 17.453 -16.213 769 1HD ARG 3 1HD ARG 3 -12.219 18.552 -17.358 770 2HD ARG 3 2HD ARG 3 -12.823 17.101 -16.583 771 HE ARG 3 HE ARG 3 -11.145 19.225 -15.260 772 1HH1 ARG 3 1HH1 ARG 3 -14.010 17.104 -15.027 773 2HH1 ARG 3 2HH1 ARG 3 -14.418 17.649 -13.428 774 1HH2 ARG 3 1HH2 ARG 3 -11.722 19.932 -13.174 775 2HH2 ARG 3 2HH2 ARG 3 -13.090 19.238 -12.352 776 H LEU 4 H LEU 4 -7.053 19.378 -19.240 777 HA LEU 4 HA LEU 4 -7.170 19.108 -22.079 778 1HB LEU 4 1HB LEU 4 -5.917 20.838 -20.947 779 2HB LEU 4 2HB LEU 4 -4.917 19.656 -20.127 780 HG LEU 4 HG LEU 4 -3.781 19.100 -22.221 781 1HD1 LEU 4 1HD1 LEU 4 -5.687 21.026 -23.579 782 2HD1 LEU 4 2HD1 LEU 4 -4.226 20.310 -24.299 783 3HD1 LEU 4 3HD1 LEU 4 -5.590 19.275 -23.860 784 1HD2 LEU 4 1HD2 LEU 4 -3.188 21.259 -20.885 785 2HD2 LEU 4 2HD2 LEU 4 -2.603 21.124 -22.549 786 3HD2 LEU 4 3HD2 LEU 4 -4.022 22.127 -22.169 787 H SER 5 H SER 5 -6.879 16.596 -19.840 788 HA SER 5 HA SER 5 -4.799 15.063 -21.125 789 1HB SER 5 1HB SER 5 -5.420 13.358 -19.538 790 2HB SER 5 2HB SER 5 -5.290 14.948 -18.753 791 HG SER 5 HG SER 5 -7.692 13.704 -19.597 792 H ARG 6 H ARG 6 -6.305 15.738 -23.220 793 HA ARG 6 HA ARG 6 -8.102 13.465 -23.894 794 1HB ARG 6 1HB ARG 6 -8.800 15.794 -24.385 795 2HB ARG 6 2HB ARG 6 -7.403 16.012 -25.442 796 1HG ARG 6 1HG ARG 6 -8.238 14.135 -26.883 797 2HG ARG 6 2HG ARG 6 -9.625 13.951 -25.792 798 1HD ARG 6 1HD ARG 6 -10.200 16.405 -26.289 799 2HD ARG 6 2HD ARG 6 -8.898 16.393 -27.473 800 HE ARG 6 HE ARG 6 -10.198 15.241 -28.950 801 1HH1 ARG 6 1HH1 ARG 6 -11.700 14.976 -25.754 802 2HH1 ARG 6 2HH1 ARG 6 -13.191 14.303 -26.352 803 1HH2 ARG 6 1HH2 ARG 6 -12.156 14.338 -29.745 804 2HH2 ARG 6 2HH2 ARG 6 -13.445 13.930 -28.649 805 H LEU 7 H LEU 7 -5.492 15.295 -25.538 806 HA LEU 7 HA LEU 7 -4.460 13.143 -27.114 807 1HB LEU 7 1HB LEU 7 -2.619 14.509 -27.555 808 2HB LEU 7 2HB LEU 7 -4.098 15.443 -27.674 809 HG LEU 7 HG LEU 7 -2.464 16.861 -26.877 810 1HD1 LEU 7 1HD1 LEU 7 -4.485 17.325 -25.759 811 2HD1 LEU 7 2HD1 LEU 7 -4.070 16.252 -24.444 812 3HD1 LEU 7 3HD1 LEU 7 -3.087 17.700 -24.736 813 1HD2 LEU 7 1HD2 LEU 7 -0.790 15.176 -25.978 814 2HD2 LEU 7 2HD2 LEU 7 -1.043 16.547 -24.868 815 3HD2 LEU 7 3HD2 LEU 7 -1.795 15.033 -24.582 816 H LEU 8 H LEU 8 -3.703 14.049 -23.778 817 HA LEU 8 HA LEU 8 -1.366 12.473 -23.654 818 1HB LEU 8 1HB LEU 8 -3.143 13.320 -21.442 819 2HB LEU 8 2HB LEU 8 -1.565 12.534 -21.242 820 HG LEU 8 HG LEU 8 -1.106 14.751 -20.819 821 1HD1 LEU 8 1HD1 LEU 8 -0.117 14.322 -23.632 822 2HD1 LEU 8 2HD1 LEU 8 0.375 15.610 -22.548 823 3HD1 LEU 8 3HD1 LEU 8 0.650 13.922 -22.105 824 1HD2 LEU 8 1HD2 LEU 8 -3.078 15.464 -22.871 825 2HD2 LEU 8 2HD2 LEU 8 -2.836 16.074 -21.290 826 3HD2 LEU 8 3HD2 LEU 8 -1.767 16.600 -22.602 827 H SER 9 H SER 9 -4.587 11.324 -23.923 828 HA SER 9 HA SER 9 -4.279 8.863 -22.488 829 1HB SER 9 1HB SER 9 -6.447 9.798 -23.341 830 2HB SER 9 2HB SER 9 -5.919 9.429 -24.996 831 HG SER 9 HG SER 9 -5.627 7.209 -24.145 832 H TYR 10 H TYR 10 -2.745 10.105 -25.327 833 HA TYR 10 HA TYR 10 -2.242 7.687 -26.763 834 1HB TYR 10 1HB TYR 10 -0.923 9.082 -28.144 835 2HB TYR 10 2HB TYR 10 -2.363 9.986 -27.712 836 HD1 TYR 10 HD1 TYR 10 -0.520 10.501 -24.771 837 HD2 TYR 10 HD2 TYR 10 -0.339 11.463 -28.983 838 HE1 TYR 10 HE1 TYR 10 0.890 12.349 -24.247 839 HE2 TYR 10 HE2 TYR 10 1.105 13.370 -28.428 840 HH TYR 10 HH TYR 10 2.103 14.149 -25.077 841 H ALA 11 H ALA 11 -0.934 8.646 -23.751 842 HA ALA 11 HA ALA 11 1.370 6.860 -24.051 843 1HB ALA 11 1HB ALA 11 1.665 9.865 -23.529 844 2HB ALA 11 2HB ALA 11 2.973 8.672 -23.425 845 3HB ALA 11 3HB ALA 11 2.202 9.018 -24.986 Start of MODEL 2 1 1H ARG 1 1H ARG 1 1.312 6.272 6.055 2 2H ARG 1 2H ARG 1 0.838 5.244 4.861 3 3H ARG 1 3H ARG 1 1.136 4.666 6.377 4 HA ARG 1 HA ARG 1 3.411 5.237 6.248 5 1HB ARG 1 1HB ARG 1 2.659 2.992 5.530 6 2HB ARG 1 2HB ARG 1 2.552 3.552 3.852 7 1HG ARG 1 1HG ARG 1 4.990 4.042 3.866 8 2HG ARG 1 2HG ARG 1 5.078 3.564 5.574 9 1HD ARG 1 1HD ARG 1 4.301 1.282 4.973 10 2HD ARG 1 2HD ARG 1 4.269 1.722 3.267 11 HE ARG 1 HE ARG 1 6.558 1.069 4.951 12 1HH1 ARG 1 1HH1 ARG 1 5.616 2.779 1.994 13 2HH1 ARG 1 2HH1 ARG 1 7.193 2.666 1.264 14 1HH2 ARG 1 1HH2 ARG 1 8.632 0.925 3.997 15 2HH2 ARG 1 2HH2 ARG 1 8.929 1.602 2.422 16 H ALA 2 H ALA 2 2.024 5.532 2.897 17 HA ALA 2 HA ALA 2 3.173 8.159 2.512 18 1HB ALA 2 1HB ALA 2 4.228 5.760 0.932 19 2HB ALA 2 2HB ALA 2 4.572 7.467 0.577 20 3HB ALA 2 3HB ALA 2 5.169 6.741 2.081 21 H GLY 3 H GLY 3 2.529 8.896 0.192 22 1HA GLY 3 1HA GLY 3 0.840 7.494 -1.497 23 2HA GLY 3 2HA GLY 3 -0.234 8.165 -0.255 24 H LEU 4 H LEU 4 0.285 10.592 0.257 25 HA LEU 4 HA LEU 4 -0.116 12.085 -2.203 26 1HB LEU 4 1HB LEU 4 0.166 12.990 0.650 27 2HB LEU 4 2HB LEU 4 -0.375 13.992 -0.708 28 HG LEU 4 HG LEU 4 -1.847 11.512 0.319 29 1HD1 LEU 4 1HD1 LEU 4 -1.775 13.333 1.955 30 2HD1 LEU 4 2HD1 LEU 4 -2.357 14.479 0.721 31 3HD1 LEU 4 3HD1 LEU 4 -3.409 13.151 1.276 32 1HD2 LEU 4 1HD2 LEU 4 -2.724 13.684 -1.657 33 2HD2 LEU 4 2HD2 LEU 4 -2.427 11.973 -2.053 34 3HD2 LEU 4 3HD2 LEU 4 -3.763 12.416 -0.987 35 H SER 5 H SER 5 2.106 11.230 -2.906 36 HA SER 5 HA SER 5 4.239 13.086 -2.191 37 1HB SER 5 1HB SER 5 4.445 10.287 -3.315 38 2HB SER 5 2HB SER 5 5.795 11.350 -2.851 39 HG SER 5 HG SER 5 5.259 9.873 -1.181 40 H LYS 6 H LYS 6 3.185 14.580 -3.723 41 HA LYS 6 HA LYS 6 3.153 13.929 -6.548 42 1HB LYS 6 1HB LYS 6 2.637 16.391 -4.867 43 2HB LYS 6 2HB LYS 6 3.141 16.661 -6.531 44 1HG LYS 6 1HG LYS 6 0.779 16.730 -6.441 45 2HG LYS 6 2HG LYS 6 1.289 15.345 -7.407 46 1HD LYS 6 1HD LYS 6 0.907 13.876 -5.353 47 2HD LYS 6 2HD LYS 6 0.230 15.294 -4.537 48 1HE LYS 6 1HE LYS 6 -0.780 13.975 -7.106 49 2HE LYS 6 2HE LYS 6 -1.554 13.880 -5.514 50 1HZ LYS 6 1HZ LYS 6 -1.172 16.344 -7.086 51 2HZ LYS 6 2HZ LYS 6 -2.536 15.510 -7.061 52 3HZ LYS 6 3HZ LYS 6 -2.008 16.229 -5.657 53 H LEU 7 H LEU 7 4.623 14.870 -8.194 54 HA LEU 7 HA LEU 7 6.667 14.834 -8.989 55 1HB LEU 7 1HB LEU 7 5.736 17.287 -8.363 56 2HB LEU 7 2HB LEU 7 7.123 17.347 -7.315 57 HG LEU 7 HG LEU 7 6.927 17.405 -10.327 58 1HD1 LEU 7 1HD1 LEU 7 7.043 19.462 -8.976 59 2HD1 LEU 7 2HD1 LEU 7 8.624 18.948 -8.347 60 3HD1 LEU 7 3HD1 LEU 7 8.419 19.286 -10.080 61 1HD2 LEU 7 1HD2 LEU 7 9.491 16.606 -8.909 62 2HD2 LEU 7 2HD2 LEU 7 8.557 15.592 -10.044 63 3HD2 LEU 7 3HD2 LEU 7 9.317 17.082 -10.612 64 HA PRO 8 HA PRO 8 8.825 13.258 -5.180 65 1HB PRO 8 1HB PRO 8 9.239 10.655 -5.949 66 2HB PRO 8 2HB PRO 8 7.743 11.257 -5.182 67 1HG PRO 8 1HG PRO 8 8.240 10.770 -8.115 68 2HG PRO 8 2HG PRO 8 6.811 10.343 -7.138 69 1HD PRO 8 1HD PRO 8 6.932 12.602 -8.725 70 2HD PRO 8 2HD PRO 8 5.982 12.534 -7.217 71 H ASP 9 H ASP 9 9.730 12.062 -8.489 72 HA ASP 9 HA ASP 9 12.261 13.487 -8.372 73 1HB ASP 9 1HB ASP 9 12.431 11.157 -7.154 74 2HB ASP 9 2HB ASP 9 12.356 10.478 -8.782 75 H LEU 10 H LEU 10 13.498 12.710 -10.439 76 HA LEU 10 HA LEU 10 11.712 12.753 -12.829 77 1HB LEU 10 1HB LEU 10 14.339 14.042 -12.066 78 2HB LEU 10 2HB LEU 10 14.028 13.682 -13.757 79 HG LEU 10 HG LEU 10 13.488 16.019 -12.818 80 1HD1 LEU 10 1HD1 LEU 10 11.540 14.487 -14.584 81 2HD1 LEU 10 2HD1 LEU 10 11.604 16.257 -14.451 82 3HD1 LEU 10 3HD1 LEU 10 12.992 15.363 -15.095 83 1HD2 LEU 10 1HD2 LEU 10 12.024 15.377 -10.913 84 2HD2 LEU 10 2HD2 LEU 10 11.229 16.454 -12.069 85 3HD2 LEU 10 3HD2 LEU 10 10.827 14.741 -12.066 86 H LYS 11 H LYS 11 14.103 10.958 -11.084 87 HA LYS 11 HA LYS 11 15.153 9.439 -13.242 88 1HB LYS 11 1HB LYS 11 15.727 9.512 -10.622 89 2HB LYS 11 2HB LYS 11 14.626 8.134 -10.553 90 1HG LYS 11 1HG LYS 11 17.133 8.423 -12.266 91 2HG LYS 11 2HG LYS 11 16.994 7.520 -10.749 92 1HD LYS 11 1HD LYS 11 15.248 6.056 -11.818 93 2HD LYS 11 2HD LYS 11 15.582 6.846 -13.368 94 1HE LYS 11 1HE LYS 11 17.632 5.323 -11.703 95 2HE LYS 11 2HE LYS 11 16.778 4.691 -13.120 96 1HZ LYS 11 1HZ LYS 11 17.786 6.411 -14.438 97 2HZ LYS 11 2HZ LYS 11 18.596 7.000 -13.130 98 3HZ LYS 11 3HZ LYS 11 18.936 5.494 -13.699 99 H ASP 12 H ASP 12 12.204 9.154 -11.209 100 HA ASP 12 HA ASP 12 11.212 6.841 -12.732 101 1HB ASP 12 1HB ASP 12 9.829 8.563 -10.667 102 2HB ASP 12 2HB ASP 12 9.226 7.051 -11.386 103 H ALA 13 H ALA 13 9.816 6.963 -14.333 104 HA ALA 13 HA ALA 13 9.211 9.590 -15.524 105 1HB ALA 13 1HB ALA 13 10.270 7.861 -16.939 106 2HB ALA 13 2HB ALA 13 8.888 6.778 -16.663 107 3HB ALA 13 3HB ALA 13 8.665 8.298 -17.557 108 H GLU 14 H GLU 14 7.422 6.695 -14.639 109 HA GLU 14 HA GLU 14 4.845 7.500 -15.397 110 1HB GLU 14 1HB GLU 14 5.714 5.743 -13.062 111 2HB GLU 14 2HB GLU 14 4.056 5.867 -13.675 112 1HG GLU 14 1HG GLU 14 4.758 5.038 -15.876 113 2HG GLU 14 2HG GLU 14 6.446 4.953 -15.348 114 H ALA 15 H ALA 15 6.536 8.075 -12.343 115 HA ALA 15 HA ALA 15 4.414 9.410 -10.956 116 1HB ALA 15 1HB ALA 15 6.416 8.451 -9.832 117 2HB ALA 15 2HB ALA 15 7.436 9.685 -10.610 118 3HB ALA 15 3HB ALA 15 6.181 10.169 -9.451 119 H VAL 16 H VAL 16 6.782 10.411 -13.327 120 HA VAL 16 HA VAL 16 6.326 13.293 -12.911 121 HB VAL 16 HB VAL 16 8.358 11.721 -14.238 122 1HG1 VAL 16 1HG1 VAL 16 7.365 14.112 -15.818 123 2HG1 VAL 16 2HG1 VAL 16 8.869 13.211 -16.081 124 3HG1 VAL 16 3HG1 VAL 16 7.320 12.420 -16.387 125 1HG2 VAL 16 1HG2 VAL 16 8.686 13.137 -12.429 126 2HG2 VAL 16 2HG2 VAL 16 9.710 13.436 -13.851 127 3HG2 VAL 16 3HG2 VAL 16 8.348 14.547 -13.494 128 H GLN 17 H GLN 17 5.232 10.623 -14.988 129 HA GLN 17 HA GLN 17 3.915 12.335 -16.875 130 1HB GLN 17 1HB GLN 17 4.359 9.855 -17.287 131 2HB GLN 17 2HB GLN 17 3.068 9.506 -16.121 132 1HG GLN 17 1HG GLN 17 2.133 9.253 -18.237 133 2HG GLN 17 2HG GLN 17 1.467 10.758 -17.605 134 1HE2 GLN 17 2HE2 GLN 17 1.513 9.934 -20.410 135 2HE2 GLN 17 1HE2 GLN 17 2.512 11.108 -21.241 136 H LYS 18 H LYS 18 2.912 10.739 -13.869 137 HA LYS 18 HA LYS 18 0.194 11.580 -13.895 138 1HB LYS 18 1HB LYS 18 2.054 11.161 -11.506 139 2HB LYS 18 2HB LYS 18 0.305 11.311 -11.412 140 1HG LYS 18 1HG LYS 18 0.868 9.219 -13.329 141 2HG LYS 18 2HG LYS 18 1.941 8.980 -11.952 142 1HD LYS 18 1HD LYS 18 -0.008 7.727 -11.509 143 2HD LYS 18 2HD LYS 18 -0.031 9.117 -10.412 144 1HE LYS 18 1HE LYS 18 -1.660 10.261 -11.960 145 2HE LYS 18 2HE LYS 18 -1.593 8.855 -13.038 146 1HZ LYS 18 1HZ LYS 18 -2.544 8.831 -10.258 147 2HZ LYS 18 2HZ LYS 18 -3.489 8.806 -11.605 148 3HZ LYS 18 3HZ LYS 18 -2.500 7.533 -11.273 149 H PHE 19 H PHE 19 2.963 13.150 -12.278 150 HA PHE 19 HA PHE 19 1.527 15.473 -11.470 151 1HB PHE 19 1HB PHE 19 3.459 15.156 -10.257 152 2HB PHE 19 2HB PHE 19 4.391 14.609 -11.644 153 HD1 PHE 19 HD1 PHE 19 5.351 16.140 -13.293 154 HD2 PHE 19 HD2 PHE 19 3.431 17.593 -9.706 155 HE1 PHE 19 HE1 PHE 19 6.381 18.357 -13.599 156 HE2 PHE 19 HE2 PHE 19 4.509 19.802 -10.039 157 HZ PHE 19 HZ PHE 19 6.029 20.147 -12.071 158 H PHE 20 H PHE 20 3.480 14.856 -14.378 159 HA PHE 20 HA PHE 20 3.602 17.459 -15.444 160 1HB PHE 20 1HB PHE 20 4.941 15.772 -16.376 161 2HB PHE 20 2HB PHE 20 3.558 14.722 -16.721 162 HD1 PHE 20 HD1 PHE 20 4.768 18.152 -17.648 163 HD2 PHE 20 HD2 PHE 20 3.082 14.396 -18.931 164 HE1 PHE 20 HE1 PHE 20 4.853 18.909 -20.015 165 HE2 PHE 20 HE2 PHE 20 3.175 15.159 -21.282 166 HZ PHE 20 HZ PHE 20 4.076 17.402 -21.821 167 H LEU 21 H LEU 21 1.225 14.783 -15.941 168 HA LEU 21 HA LEU 21 -0.649 16.313 -17.453 169 1HB LEU 21 1HB LEU 21 -0.497 13.629 -16.108 170 2HB LEU 21 2HB LEU 21 -2.086 14.307 -16.016 171 HG LEU 21 HG LEU 21 -0.683 13.946 -18.728 172 1HD1 LEU 21 1HD1 LEU 21 -2.523 12.101 -17.160 173 2HD1 LEU 21 2HD1 LEU 21 -2.041 11.894 -18.858 174 3HD1 LEU 21 3HD1 LEU 21 -0.824 11.811 -17.583 175 1HD2 LEU 21 1HD2 LEU 21 -3.504 14.614 -17.752 176 2HD2 LEU 21 2HD2 LEU 21 -2.445 15.601 -18.783 177 3HD2 LEU 21 3HD2 LEU 21 -3.131 14.095 -19.383 178 H GLU 22 H GLU 22 -0.410 15.687 -13.949 179 HA GLU 22 HA GLU 22 -2.840 16.972 -13.303 180 1HB GLU 22 1HB GLU 22 -1.481 15.643 -11.699 181 2HB GLU 22 2HB GLU 22 -0.308 16.974 -11.600 182 1HG GLU 22 1HG GLU 22 -1.952 18.446 -10.627 183 2HG GLU 22 2HG GLU 22 -3.258 17.297 -10.951 184 H GLU 23 H GLU 23 0.301 18.361 -14.243 185 HA GLU 23 HA GLU 23 -0.448 21.047 -13.413 186 1HB GLU 23 1HB GLU 23 1.871 20.143 -13.328 187 2HB GLU 23 2HB GLU 23 1.948 20.243 -15.099 188 1HG GLU 23 1HG GLU 23 1.645 22.616 -15.043 189 2HG GLU 23 2HG GLU 23 1.117 22.599 -13.350 190 H ILE 24 H ILE 24 -0.154 19.207 -16.411 191 HA ILE 24 HA ILE 24 -0.912 21.218 -18.317 192 HB ILE 24 HB ILE 24 -0.895 18.198 -18.246 193 1HG1 ILE 24 1HG1 ILE 24 0.303 20.207 -20.066 194 2HG1 ILE 24 2HG1 ILE 24 0.930 18.675 -19.453 195 1HG2 ILE 24 1HG2 ILE 24 -3.181 18.252 -18.826 196 2HG2 ILE 24 2HG2 ILE 24 -2.809 19.342 -20.177 197 3HG2 ILE 24 3HG2 ILE 24 -2.210 17.677 -20.107 198 1HD1 ILE 24 1HD1 ILE 24 -1.136 18.897 -21.693 199 2HD1 ILE 24 2HD1 ILE 24 0.589 18.741 -21.870 200 3HD1 ILE 24 3HD1 ILE 24 -0.298 17.432 -21.100 201 H GLN 25 H GLN 25 -2.929 18.977 -16.446 202 HA GLN 25 HA GLN 25 -5.397 20.222 -17.349 203 1HB GLN 25 1HB GLN 25 -4.944 18.285 -15.027 204 2HB GLN 25 2HB GLN 25 -6.494 18.707 -15.766 205 1HG GLN 25 1HG GLN 25 -5.640 17.654 -17.945 206 2HG GLN 25 2HG GLN 25 -4.251 17.060 -17.041 207 1HE2 GLN 25 2HE2 GLN 25 -7.670 16.666 -17.644 208 2HE2 GLN 25 1HE2 GLN 25 -7.826 15.183 -16.723 209 H LEU 26 H LEU 26 -3.560 20.464 -14.347 210 HA LEU 26 HA LEU 26 -5.417 22.096 -12.950 211 1HB LEU 26 1HB LEU 26 -3.633 21.118 -11.763 212 2HB LEU 26 2HB LEU 26 -2.405 21.941 -12.758 213 HG LEU 26 HG LEU 26 -2.410 22.741 -10.559 214 1HD1 LEU 26 1HD1 LEU 26 -2.034 24.420 -12.437 215 2HD1 LEU 26 2HD1 LEU 26 -3.672 25.028 -12.071 216 3HD1 LEU 26 3HD1 LEU 26 -2.431 25.057 -10.828 217 1HD2 LEU 26 1HD2 LEU 26 -4.676 22.162 -9.956 218 2HD2 LEU 26 2HD2 LEU 26 -4.303 23.852 -9.534 219 3HD2 LEU 26 3HD2 LEU 26 -5.306 23.491 -10.972 220 H GLY 27 H GLY 27 -2.673 23.077 -15.072 221 1HA GLY 27 1HA GLY 27 -3.146 25.896 -14.981 222 2HA GLY 27 2HA GLY 27 -2.359 25.041 -16.331 223 H GLU 28 H GLU 28 -4.117 23.573 -17.634 224 HA GLU 28 HA GLU 28 -5.819 25.337 -18.915 225 1HB GLU 28 1HB GLU 28 -5.804 22.346 -18.567 226 2HB GLU 28 2HB GLU 28 -7.141 23.099 -19.420 227 1HG GLU 28 1HG GLU 28 -4.295 23.833 -20.175 228 2HG GLU 28 2HG GLU 28 -5.038 22.356 -20.782 229 H GLU 29 H GLU 29 -6.589 23.591 -15.980 230 HA GLU 29 HA GLU 29 -9.397 24.327 -15.932 231 1HB GLU 29 1HB GLU 29 -8.734 22.354 -14.804 232 2HB GLU 29 2HB GLU 29 -7.568 23.224 -13.782 233 1HG GLU 29 1HG GLU 29 -9.334 24.380 -12.621 234 2HG GLU 29 2HG GLU 29 -10.557 23.728 -13.732 235 H LEU 30 H LEU 30 -6.424 25.730 -14.430 236 HA LEU 30 HA LEU 30 -7.890 27.785 -13.039 237 1HB LEU 30 1HB LEU 30 -4.999 27.303 -13.875 238 2HB LEU 30 2HB LEU 30 -5.445 28.946 -13.492 239 HG LEU 30 HG LEU 30 -5.596 26.611 -11.537 240 1HD1 LEU 30 1HD1 LEU 30 -3.320 27.402 -12.194 241 2HD1 LEU 30 2HD1 LEU 30 -3.777 29.042 -11.686 242 3HD1 LEU 30 3HD1 LEU 30 -3.710 27.726 -10.493 243 1HD2 LEU 30 1HD2 LEU 30 -6.159 29.616 -11.194 244 2HD2 LEU 30 2HD2 LEU 30 -7.334 28.308 -10.945 245 3HD2 LEU 30 3HD2 LEU 30 -5.953 28.476 -9.857 246 H LEU 31 H LEU 31 -6.528 27.517 -16.286 247 HA LEU 31 HA LEU 31 -7.212 30.252 -17.087 248 1HB LEU 31 1HB LEU 31 -6.716 27.654 -18.563 249 2HB LEU 31 2HB LEU 31 -7.028 29.182 -19.391 250 HG LEU 31 HG LEU 31 -5.018 30.098 -18.872 251 1HD1 LEU 31 1HD1 LEU 31 -5.190 29.915 -16.304 252 2HD1 LEU 31 2HD1 LEU 31 -4.312 28.392 -16.474 253 3HD1 LEU 31 3HD1 LEU 31 -3.636 29.898 -17.061 254 1HD2 LEU 31 1HD2 LEU 31 -4.811 27.923 -20.080 255 2HD2 LEU 31 2HD2 LEU 31 -3.336 28.384 -19.185 256 3HD2 LEU 31 3HD2 LEU 31 -4.423 27.155 -18.528 257 H ALA 32 H ALA 32 -8.954 27.215 -16.891 258 HA ALA 32 HA ALA 32 -11.253 28.102 -18.305 259 1HB ALA 32 1HB ALA 32 -10.730 25.707 -17.513 260 2HB ALA 32 2HB ALA 32 -11.415 26.191 -15.946 261 3HB ALA 32 3HB ALA 32 -12.418 26.255 -17.386 262 H GLN 33 H GLN 33 -9.939 29.047 -15.246 263 HA GLN 33 HA GLN 33 -12.426 30.322 -14.308 264 1HB GLN 33 1HB GLN 33 -10.139 29.165 -13.043 265 2HB GLN 33 2HB GLN 33 -10.015 30.908 -12.768 266 1HG GLN 33 1HG GLN 33 -12.349 30.898 -11.893 267 2HG GLN 33 2HG GLN 33 -12.429 29.145 -12.157 268 1HE2 GLN 33 2HE2 GLN 33 -10.430 27.912 -11.132 269 2HE2 GLN 33 1HE2 GLN 33 -10.038 28.398 -9.495 270 H GLY 34 H GLY 34 -9.255 30.907 -15.625 271 1HA GLY 34 1HA GLY 34 -9.182 32.704 -17.359 272 2HA GLY 34 2HA GLY 34 -9.832 33.799 -16.141 273 H ASP 35 H ASP 35 -7.532 31.499 -14.840 274 HA ASP 35 HA ASP 35 -5.705 33.794 -14.450 275 1HB ASP 35 1HB ASP 35 -6.465 32.291 -12.601 276 2HB ASP 35 2HB ASP 35 -5.370 31.064 -13.247 277 H TYR 36 H TYR 36 -5.495 33.495 -16.953 278 HA TYR 36 HA TYR 36 -3.798 31.827 -18.344 279 1HB TYR 36 1HB TYR 36 -3.647 34.796 -18.674 280 2HB TYR 36 2HB TYR 36 -3.573 33.517 -19.888 281 HD1 TYR 36 HD1 TYR 36 -5.896 31.965 -19.807 282 HD2 TYR 36 HD2 TYR 36 -5.548 36.135 -18.760 283 HE1 TYR 36 HE1 TYR 36 -8.305 32.273 -20.250 284 HE2 TYR 36 HE2 TYR 36 -7.962 36.441 -19.209 285 HH TYR 36 HH TYR 36 -10.071 33.746 -20.264 286 H GLU 37 H GLU 37 -2.885 34.491 -16.322 287 HA GLU 37 HA GLU 37 -0.122 34.579 -16.786 288 1HB GLU 37 1HB GLU 37 -1.782 35.245 -14.321 289 2HB GLU 37 2HB GLU 37 -0.045 35.554 -14.428 290 1HG GLU 37 1HG GLU 37 -1.294 37.580 -14.960 291 2HG GLU 37 2HG GLU 37 -0.345 37.033 -16.347 292 H LYS 38 H LYS 38 -1.962 32.685 -14.485 293 HA LYS 38 HA LYS 38 0.408 31.269 -13.533 294 1HB LYS 38 1HB LYS 38 -2.532 31.162 -12.955 295 2HB LYS 38 2HB LYS 38 -1.731 29.620 -12.829 296 1HG LYS 38 1HG LYS 38 -0.604 32.066 -11.424 297 2HG LYS 38 2HG LYS 38 -1.843 31.051 -10.679 298 1HD LYS 38 1HD LYS 38 -0.521 29.151 -10.588 299 2HD LYS 38 2HD LYS 38 0.545 29.658 -11.908 300 1HE LYS 38 1HE LYS 38 1.573 31.372 -10.430 301 2HE LYS 38 2HE LYS 38 0.586 30.768 -9.081 302 1HZ LYS 38 1HZ LYS 38 1.633 28.592 -9.473 303 2HZ LYS 38 2HZ LYS 38 2.582 29.255 -10.642 304 3HZ LYS 38 3HZ LYS 38 2.745 29.758 -9.091 305 H GLY 39 H GLY 39 -1.961 30.723 -16.090 306 1HA GLY 39 1HA GLY 39 -1.309 28.000 -16.652 307 2HA GLY 39 2HA GLY 39 -1.822 29.212 -17.858 308 H VAL 40 H VAL 40 0.259 31.089 -17.608 309 HA VAL 40 HA VAL 40 2.079 29.849 -19.448 310 HB VAL 40 HB VAL 40 2.330 32.486 -17.897 311 1HG1 VAL 40 1HG1 VAL 40 4.016 31.369 -20.153 312 2HG1 VAL 40 2HG1 VAL 40 4.036 33.063 -19.646 313 3HG1 VAL 40 3HG1 VAL 40 4.565 31.811 -18.528 314 1HG2 VAL 40 1HG2 VAL 40 1.456 31.930 -20.781 315 2HG2 VAL 40 2HG2 VAL 40 0.477 32.644 -19.494 316 3HG2 VAL 40 3HG2 VAL 40 1.846 33.524 -20.153 317 H ASP 41 H ASP 41 2.336 30.612 -16.012 318 HA ASP 41 HA ASP 41 5.021 29.710 -15.616 319 1HB ASP 41 1HB ASP 41 4.093 31.121 -13.934 320 2HB ASP 41 2HB ASP 41 2.668 30.093 -13.739 321 H HIS 42 H HIS 42 1.942 28.109 -14.990 322 HA HIS 42 HA HIS 42 3.092 25.620 -14.165 323 1HB HIS 42 1HB HIS 42 0.294 26.426 -15.005 324 2HB HIS 42 2HB HIS 42 0.700 24.743 -14.682 325 HD1 HIS 42 HD1 HIS 42 2.248 24.514 -12.270 326 HD2 HIS 42 HD2 HIS 42 -0.649 27.528 -12.639 327 HE1 HIS 42 HE1 HIS 42 1.620 25.258 -9.922 328 H LEU 43 H LEU 43 2.093 26.842 -17.384 329 HA LEU 43 HA LEU 43 2.510 24.204 -18.527 330 1HB LEU 43 1HB LEU 43 1.266 26.312 -19.610 331 2HB LEU 43 2HB LEU 43 2.892 26.645 -20.229 332 HG LEU 43 HG LEU 43 2.783 24.040 -20.837 333 1HD1 LEU 43 1HD1 LEU 43 0.558 23.678 -19.678 334 2HD1 LEU 43 2HD1 LEU 43 -0.183 24.829 -20.806 335 3HD1 LEU 43 3HD1 LEU 43 0.483 23.305 -21.411 336 1HD2 LEU 43 1HD2 LEU 43 1.235 26.193 -22.357 337 2HD2 LEU 43 2HD2 LEU 43 2.956 25.763 -22.553 338 3HD2 LEU 43 3HD2 LEU 43 1.695 24.615 -23.034 339 H THR 44 H THR 44 4.500 27.172 -18.065 340 HA THR 44 HA THR 44 6.825 26.333 -19.323 341 HB THR 44 HB THR 44 6.634 28.065 -16.868 342 HG1 THR 44 HG1 THR 44 5.682 28.852 -18.771 343 1HG2 THR 44 1HG2 THR 44 8.974 27.477 -18.727 344 2HG2 THR 44 2HG2 THR 44 8.894 28.831 -17.582 345 3HG2 THR 44 3HG2 THR 44 8.912 27.169 -16.976 346 H ASN 45 H ASN 45 5.573 25.487 -16.153 347 HA ASN 45 HA ASN 45 7.889 24.012 -15.227 348 1HB ASN 45 1HB ASN 45 5.081 24.272 -14.227 349 2HB ASN 45 2HB ASN 45 6.155 23.006 -13.599 350 1HD2 ASN 45 2HD2 ASN 45 5.906 26.566 -14.006 351 2HD2 ASN 45 1HD2 ASN 45 6.919 26.946 -12.644 352 H ALA 46 H ALA 46 4.814 23.089 -16.853 353 HA ALA 46 HA ALA 46 5.243 20.316 -16.811 354 1HB ALA 46 1HB ALA 46 3.107 21.401 -17.370 355 2HB ALA 46 2HB ALA 46 3.750 21.875 -18.955 356 3HB ALA 46 3HB ALA 46 3.552 20.168 -18.530 357 H ILE 47 H ILE 47 6.388 22.848 -19.085 358 HA ILE 47 HA ILE 47 7.836 21.088 -20.830 359 HB ILE 47 HB ILE 47 8.251 24.021 -20.222 360 1HG1 ILE 47 1HG1 ILE 47 7.574 24.246 -22.703 361 2HG1 ILE 47 2HG1 ILE 47 7.046 22.557 -22.632 362 1HG2 ILE 47 1HG2 ILE 47 9.907 22.374 -22.076 363 2HG2 ILE 47 2HG2 ILE 47 9.822 24.152 -22.107 364 3HG2 ILE 47 3HG2 ILE 47 10.433 23.342 -20.690 365 1HD1 ILE 47 1HD1 ILE 47 6.058 24.826 -20.895 366 2HD1 ILE 47 2HD1 ILE 47 5.246 24.262 -22.353 367 3HD1 ILE 47 3HD1 ILE 47 5.376 23.162 -20.982 368 H ALA 48 H ALA 48 8.664 22.580 -17.797 369 HA ALA 48 HA ALA 48 11.459 22.093 -17.881 370 1HB ALA 48 1HB ALA 48 10.391 23.672 -16.258 371 2HB ALA 48 2HB ALA 48 9.812 22.260 -15.332 372 3HB ALA 48 3HB ALA 48 11.542 22.533 -15.531 373 H VAL 49 H VAL 49 8.738 20.035 -17.018 374 HA VAL 49 HA VAL 49 10.657 17.918 -16.155 375 HB VAL 49 HB VAL 49 8.891 16.822 -15.205 376 1HG1 VAL 49 1HG1 VAL 49 9.826 19.084 -14.222 377 2HG1 VAL 49 2HG1 VAL 49 8.180 19.675 -14.503 378 3HG1 VAL 49 3HG1 VAL 49 8.471 18.280 -13.433 379 1HG2 VAL 49 1HG2 VAL 49 7.112 17.361 -17.011 380 2HG2 VAL 49 2HG2 VAL 49 6.595 17.213 -15.347 381 3HG2 VAL 49 3HG2 VAL 49 6.799 18.825 -16.057 382 H CYS 50 H CYS 50 8.861 18.912 -18.969 383 HA CYS 50 HA CYS 50 8.734 16.133 -20.012 384 1HB CYS 50 1HB CYS 50 6.888 17.478 -20.479 385 2HB CYS 50 2HB CYS 50 7.880 18.797 -21.147 386 HG CYS 50 HG CYS 50 6.637 17.613 -23.082 387 H GLY 51 H GLY 51 10.428 19.221 -20.865 388 1HA GLY 51 1HA GLY 51 12.549 19.498 -21.702 389 2HA GLY 51 2HA GLY 51 12.821 17.754 -21.664 390 H GLN 52 H GLN 52 9.935 18.309 -23.266 391 HA GLN 52 HA GLN 52 11.098 18.628 -26.040 392 1HB GLN 52 1HB GLN 52 10.626 16.196 -25.277 393 2HB GLN 52 2HB GLN 52 8.927 16.654 -25.345 394 1HG GLN 52 1HG GLN 52 9.389 15.754 -27.469 395 2HG GLN 52 2HG GLN 52 9.458 17.503 -27.751 396 1HE2 GLN 52 2HE2 GLN 52 11.446 18.422 -28.448 397 2HE2 GLN 52 1HE2 GLN 52 12.875 17.448 -28.724 398 HA PRO 53 HA PRO 53 7.703 21.524 -24.503 399 1HB PRO 53 1HB PRO 53 8.786 23.792 -25.806 400 2HB PRO 53 2HB PRO 53 9.016 23.342 -24.106 401 1HG PRO 53 1HG PRO 53 10.843 22.718 -26.418 402 2HG PRO 53 2HG PRO 53 11.271 23.353 -24.801 403 1HD PRO 53 1HD PRO 53 11.576 20.781 -25.276 404 2HD PRO 53 2HD PRO 53 10.772 21.274 -23.764 405 H GLN 54 H GLN 54 9.337 21.766 -27.610 406 HA GLN 54 HA GLN 54 7.128 22.716 -29.110 407 1HB GLN 54 1HB GLN 54 9.453 20.998 -30.119 408 2HB GLN 54 2HB GLN 54 8.429 22.065 -31.092 409 1HG GLN 54 1HG GLN 54 9.327 24.043 -29.803 410 2HG GLN 54 2HG GLN 54 10.429 22.961 -28.941 411 1HE2 GLN 54 2HE2 GLN 54 11.462 25.079 -30.380 412 2HE2 GLN 54 1HE2 GLN 54 12.306 24.449 -31.781 413 H GLN 55 H GLN 55 8.071 19.316 -28.523 414 HA GLN 55 HA GLN 55 6.049 18.299 -30.250 415 1HB GLN 55 1HB GLN 55 7.871 16.855 -29.366 416 2HB GLN 55 2HB GLN 55 7.155 16.970 -27.740 417 1HG GLN 55 1HG GLN 55 6.574 14.859 -28.859 418 2HG GLN 55 2HG GLN 55 5.142 15.821 -28.493 419 1HE2 GLN 55 2HE2 GLN 55 7.547 15.397 -31.191 420 2HE2 GLN 55 1HE2 GLN 55 6.338 15.461 -32.459 421 H LEU 56 H LEU 56 6.033 19.146 -26.797 422 HA LEU 56 HA LEU 56 3.382 18.418 -26.424 423 1HB LEU 56 1HB LEU 56 4.926 18.771 -24.526 424 2HB LEU 56 2HB LEU 56 4.903 20.511 -24.848 425 HG LEU 56 HG LEU 56 2.427 20.515 -24.423 426 1HD1 LEU 56 1HD1 LEU 56 2.601 17.661 -24.534 427 2HD1 LEU 56 2HD1 LEU 56 2.364 18.038 -22.845 428 3HD1 LEU 56 3HD1 LEU 56 1.215 18.622 -24.011 429 1HD2 LEU 56 1HD2 LEU 56 4.337 19.646 -22.255 430 2HD2 LEU 56 2HD2 LEU 56 3.958 21.290 -22.788 431 3HD2 LEU 56 3HD2 LEU 56 2.716 20.330 -21.959 432 H LEU 57 H LEU 57 4.804 21.543 -27.454 433 HA LEU 57 HA LEU 57 2.260 22.933 -27.399 434 1HB LEU 57 1HB LEU 57 4.598 23.666 -29.191 435 2HB LEU 57 2HB LEU 57 3.257 24.686 -28.664 436 HG LEU 57 HG LEU 57 5.661 23.770 -27.084 437 1HD1 LEU 57 1HD1 LEU 57 5.737 25.852 -28.422 438 2HD1 LEU 57 2HD1 LEU 57 4.564 26.535 -27.267 439 3HD1 LEU 57 3HD1 LEU 57 6.139 25.982 -26.700 440 1HD2 LEU 57 1HD2 LEU 57 3.135 24.948 -25.846 441 2HD2 LEU 57 2HD2 LEU 57 3.813 23.341 -25.504 442 3HD2 LEU 57 3HD2 LEU 57 4.705 24.786 -25.038 443 H GLN 58 H GLN 58 3.759 20.890 -29.832 444 HA GLN 58 HA GLN 58 1.769 21.410 -31.841 445 1HB GLN 58 1HB GLN 58 4.062 20.207 -32.092 446 2HB GLN 58 2HB GLN 58 3.221 18.748 -31.554 447 1HG GLN 58 1HG GLN 58 2.547 20.479 -33.972 448 2HG GLN 58 2HG GLN 58 3.359 18.911 -33.996 449 1HE2 GLN 58 2HE2 GLN 58 0.373 20.389 -34.439 450 2HE2 GLN 58 1HE2 GLN 58 -0.649 18.990 -34.170 451 H VAL 59 H VAL 59 2.125 18.957 -29.289 452 HA VAL 59 HA VAL 59 -0.255 17.598 -29.834 453 HB VAL 59 HB VAL 59 1.811 17.057 -28.209 454 1HG1 VAL 59 1HG1 VAL 59 -0.484 17.728 -26.264 455 2HG1 VAL 59 2HG1 VAL 59 0.908 16.708 -25.861 456 3HG1 VAL 59 3HG1 VAL 59 1.117 18.396 -26.220 457 1HG2 VAL 59 1HG2 VAL 59 -0.794 15.739 -28.150 458 2HG2 VAL 59 2HG2 VAL 59 0.627 15.448 -29.183 459 3HG2 VAL 59 3HG2 VAL 59 0.743 15.175 -27.436 460 H LEU 60 H LEU 60 0.236 20.506 -27.988 461 HA LEU 60 HA LEU 60 -2.473 20.554 -26.824 462 1HB LEU 60 1HB LEU 60 -0.130 22.450 -27.158 463 2HB LEU 60 2HB LEU 60 -1.696 23.132 -26.792 464 HG LEU 60 HG LEU 60 0.043 22.655 -24.954 465 1HD1 LEU 60 1HD1 LEU 60 -2.293 23.536 -24.558 466 2HD1 LEU 60 2HD1 LEU 60 -2.935 21.884 -24.644 467 3HD1 LEU 60 3HD1 LEU 60 -1.884 22.356 -23.301 468 1HD2 LEU 60 1HD2 LEU 60 0.315 20.242 -25.324 469 2HD2 LEU 60 2HD2 LEU 60 -0.228 20.610 -23.688 470 3HD2 LEU 60 3HD2 LEU 60 -1.370 19.949 -24.873 471 H GLN 61 H GLN 61 -0.793 21.854 -29.714 472 HA GLN 61 HA GLN 61 -3.024 23.417 -30.624 473 1HB GLN 61 1HB GLN 61 -0.903 23.974 -31.534 474 2HB GLN 61 2HB GLN 61 -0.564 22.302 -32.004 475 1HG GLN 61 1HG GLN 61 -2.255 22.425 -33.800 476 2HG GLN 61 2HG GLN 61 -2.629 24.094 -33.326 477 1HE2 GLN 61 2HE2 GLN 61 -2.068 24.536 -35.627 478 2HE2 GLN 61 1HE2 GLN 61 -0.377 24.715 -36.051 479 H GLN 62 H GLN 62 -2.132 20.032 -31.013 480 HA GLN 62 HA GLN 62 -3.965 19.448 -33.122 481 1HB GLN 62 1HB GLN 62 -2.954 17.498 -33.207 482 2HB GLN 62 2HB GLN 62 -1.861 18.105 -31.988 483 1HG GLN 62 1HG GLN 62 -2.513 15.929 -31.327 484 2HG GLN 62 2HG GLN 62 -3.306 17.038 -30.211 485 1HE2 GLN 62 2HE2 GLN 62 -4.099 15.747 -33.524 486 2HE2 GLN 62 1HE2 GLN 62 -5.688 15.171 -33.064 487 H THR 63 H THR 63 -4.244 19.336 -29.556 488 HA THR 63 HA THR 63 -6.908 18.172 -29.755 489 HB THR 63 HB THR 63 -5.580 17.503 -27.990 490 HG1 THR 63 HG1 THR 63 -7.859 19.014 -27.278 491 1HG2 THR 63 1HG2 THR 63 -5.516 20.376 -27.068 492 2HG2 THR 63 2HG2 THR 63 -5.274 18.999 -25.981 493 3HG2 THR 63 3HG2 THR 63 -4.185 19.226 -27.352 494 H LEU 64 H LEU 64 -5.565 21.404 -29.314 495 HA LEU 64 HA LEU 64 -7.992 22.534 -30.337 496 1HB LEU 64 1HB LEU 64 -9.238 23.174 -28.607 497 2HB LEU 64 2HB LEU 64 -8.445 21.902 -27.719 498 HG LEU 64 HG LEU 64 -7.522 24.807 -27.631 499 1HD1 LEU 64 1HD1 LEU 64 -9.840 24.557 -26.845 500 2HD1 LEU 64 2HD1 LEU 64 -9.301 23.321 -25.688 501 3HD1 LEU 64 3HD1 LEU 64 -8.700 24.998 -25.571 502 1HD2 LEU 64 1HD2 LEU 64 -5.804 23.076 -26.964 503 2HD2 LEU 64 2HD2 LEU 64 -6.336 24.088 -25.612 504 3HD2 LEU 64 3HD2 LEU 64 -6.961 22.434 -25.786 505 HA PRO 65 HA PRO 65 -5.321 25.964 -31.153 506 1HB PRO 65 1HB PRO 65 -6.991 28.113 -31.318 507 2HB PRO 65 2HB PRO 65 -6.929 26.803 -32.530 508 1HG PRO 65 1HG PRO 65 -8.889 27.097 -30.241 509 2HG PRO 65 2HG PRO 65 -9.245 26.743 -31.955 510 1HD PRO 65 1HD PRO 65 -9.089 24.790 -30.088 511 2HD PRO 65 2HD PRO 65 -8.469 24.510 -31.739 512 HA PRO 66 HA PRO 66 -5.064 27.337 -26.733 513 1HB PRO 66 1HB PRO 66 -2.508 27.098 -26.315 514 2HB PRO 66 2HB PRO 66 -3.490 25.690 -26.746 515 1HG PRO 66 1HG PRO 66 -1.651 27.190 -28.630 516 2HG PRO 66 2HG PRO 66 -1.880 25.440 -28.424 517 1HD PRO 66 1HD PRO 66 -3.205 27.175 -30.271 518 2HD PRO 66 2HD PRO 66 -3.613 25.488 -29.895 519 HA PRO 67 HA PRO 67 -4.172 31.680 -28.025 520 1HB PRO 67 1HB PRO 67 -5.746 32.993 -26.243 521 2HB PRO 67 2HB PRO 67 -6.423 32.156 -27.670 522 1HG PRO 67 1HG PRO 67 -6.291 31.136 -24.825 523 2HG PRO 67 2HG PRO 67 -7.677 31.106 -25.943 524 1HD PRO 67 1HD PRO 67 -6.010 28.955 -25.570 525 2HD PRO 67 2HD PRO 67 -6.811 29.294 -27.132 526 H VAL 68 H VAL 68 -4.292 30.291 -24.794 527 HA VAL 68 HA VAL 68 -2.706 32.094 -23.313 528 HB VAL 68 HB VAL 68 -3.197 29.090 -23.001 529 1HG1 VAL 68 1HG1 VAL 68 -1.589 30.988 -21.273 530 2HG1 VAL 68 2HG1 VAL 68 -2.226 29.417 -20.730 531 3HG1 VAL 68 3HG1 VAL 68 -1.046 29.467 -22.030 532 1HG2 VAL 68 1HG2 VAL 68 -5.125 30.669 -22.665 533 2HG2 VAL 68 2HG2 VAL 68 -4.625 29.899 -21.159 534 3HG2 VAL 68 3HG2 VAL 68 -4.149 31.573 -21.488 535 H PHE 69 H PHE 69 -1.843 29.236 -25.175 536 HA PHE 69 HA PHE 69 0.932 29.049 -24.822 537 1HB PHE 69 1HB PHE 69 0.086 27.380 -26.160 538 2HB PHE 69 2HB PHE 69 -1.001 28.490 -26.972 539 HD1 PHE 69 HD1 PHE 69 -0.471 29.768 -28.903 540 HD2 PHE 69 HD2 PHE 69 2.337 27.014 -27.161 541 HE1 PHE 69 HE1 PHE 69 0.857 29.824 -30.996 542 HE2 PHE 69 HE2 PHE 69 3.677 27.074 -29.287 543 HZ PHE 69 HZ PHE 69 2.935 28.470 -31.181 544 H GLN 70 H GLN 70 -0.807 31.257 -26.988 545 HA GLN 70 HA GLN 70 1.548 32.476 -28.082 546 1HB GLN 70 1HB GLN 70 -0.740 32.690 -29.080 547 2HB GLN 70 2HB GLN 70 -1.171 33.810 -27.772 548 1HG GLN 70 1HG GLN 70 0.669 35.334 -28.490 549 2HG GLN 70 2HG GLN 70 1.076 34.201 -29.788 550 1HE2 GLN 70 2HE2 GLN 70 -1.771 35.996 -28.447 551 2HE2 GLN 70 1HE2 GLN 70 -2.448 36.395 -30.013 552 H MET 71 H MET 71 -0.448 33.291 -25.339 553 HA MET 71 HA MET 71 0.748 35.731 -24.450 554 1HB MET 71 1HB MET 71 -0.799 33.773 -22.739 555 2HB MET 71 2HB MET 71 -0.424 35.464 -22.442 556 1HG MET 71 1HG MET 71 -1.674 35.560 -24.949 557 2HG MET 71 2HG MET 71 -2.574 34.306 -24.107 558 1HE MET 71 1HE MET 71 -3.935 34.701 -21.905 559 2HE MET 71 2HE MET 71 -2.469 35.310 -21.088 560 3HE MET 71 3HE MET 71 -3.977 36.251 -21.028 561 H LEU 72 H LEU 72 1.464 32.291 -23.944 562 HA LEU 72 HA LEU 72 3.469 32.625 -21.931 563 1HB LEU 72 1HB LEU 72 2.718 30.439 -21.835 564 2HB LEU 72 2HB LEU 72 2.290 30.419 -23.520 565 HG LEU 72 HG LEU 72 4.723 30.112 -24.095 566 1HD1 LEU 72 1HD1 LEU 72 5.685 30.879 -21.848 567 2HD1 LEU 72 2HD1 LEU 72 4.960 29.437 -21.118 568 3HD1 LEU 72 3HD1 LEU 72 6.225 29.273 -22.347 569 1HD2 LEU 72 1HD2 LEU 72 3.334 28.047 -22.370 570 2HD2 LEU 72 2HD2 LEU 72 3.131 28.274 -24.122 571 3HD2 LEU 72 3HD2 LEU 72 4.684 27.715 -23.479 572 H LEU 73 H LEU 73 3.387 32.413 -25.456 573 HA LEU 73 HA LEU 73 6.285 32.488 -25.613 574 1HB LEU 73 1HB LEU 73 4.327 33.351 -27.786 575 2HB LEU 73 2HB LEU 73 6.035 32.983 -28.007 576 HG LEU 73 HG LEU 73 3.831 30.977 -27.409 577 1HD1 LEU 73 1HD1 LEU 73 5.533 31.546 -29.818 578 2HD1 LEU 73 2HD1 LEU 73 4.354 30.221 -29.643 579 3HD1 LEU 73 3HD1 LEU 73 3.802 31.909 -29.607 580 1HD2 LEU 73 1HD2 LEU 73 6.791 30.436 -27.785 581 2HD2 LEU 73 2HD2 LEU 73 5.868 30.198 -26.279 582 3HD2 LEU 73 3HD2 LEU 73 5.489 29.228 -27.706 583 H THR 74 H THR 74 3.887 34.991 -25.450 584 HA THR 74 HA THR 74 5.660 37.154 -26.182 585 HB THR 74 HB THR 74 3.382 38.266 -25.139 586 HG1 THR 74 HG1 THR 74 2.904 36.482 -24.062 587 1HG2 THR 74 1HG2 THR 74 3.183 36.437 -27.594 588 2HG2 THR 74 2HG2 THR 74 2.038 37.709 -27.152 589 3HG2 THR 74 3HG2 THR 74 3.678 38.143 -27.674 590 H LYS 75 H LYS 75 4.612 35.403 -23.206 591 HA LYS 75 HA LYS 75 5.485 37.473 -21.425 592 1HB LYS 75 1HB LYS 75 4.658 34.612 -21.380 593 2HB LYS 75 2HB LYS 75 5.736 35.036 -20.082 594 1HG LYS 75 1HG LYS 75 3.197 36.611 -20.722 595 2HG LYS 75 2HG LYS 75 3.183 35.220 -19.651 596 1HD LYS 75 1HD LYS 75 4.826 37.722 -19.132 597 2HD LYS 75 2HD LYS 75 3.240 37.344 -18.432 598 1HE LYS 75 1HE LYS 75 4.183 35.286 -17.400 599 2HE LYS 75 2HE LYS 75 5.792 35.721 -18.011 600 1HZ LYS 75 1HZ LYS 75 4.195 37.335 -16.160 601 2HZ LYS 75 2HZ LYS 75 5.497 36.407 -15.769 602 3HZ LYS 75 3HZ LYS 75 5.690 37.723 -16.741 603 H LEU 76 H LEU 76 7.267 35.179 -23.327 604 HA LEU 76 HA LEU 76 9.591 35.035 -21.665 605 1HB LEU 76 1HB LEU 76 9.126 34.464 -24.593 606 2HB LEU 76 2HB LEU 76 10.678 34.188 -23.798 607 HG LEU 76 HG LEU 76 8.036 32.854 -22.956 608 1HD1 LEU 76 1HD1 LEU 76 8.537 32.385 -25.312 609 2HD1 LEU 76 2HD1 LEU 76 10.150 31.814 -24.851 610 3HD1 LEU 76 3HD1 LEU 76 8.694 30.961 -24.276 611 1HD2 LEU 76 1HD2 LEU 76 10.957 32.124 -22.444 612 2HD2 LEU 76 2HD2 LEU 76 9.831 32.778 -21.233 613 3HD2 LEU 76 3HD2 LEU 76 9.535 31.186 -21.946 614 HA PRO 77 HA PRO 77 11.784 38.473 -23.936 615 1HB PRO 77 1HB PRO 77 10.818 39.820 -26.003 616 2HB PRO 77 2HB PRO 77 11.532 38.176 -26.136 617 1HG PRO 77 1HG PRO 77 8.556 38.868 -25.916 618 2HG PRO 77 2HG PRO 77 9.327 37.861 -27.179 619 1HD PRO 77 1HD PRO 77 8.240 36.723 -24.935 620 2HD PRO 77 2HD PRO 77 9.783 36.132 -25.646 621 H THR 78 H THR 78 11.093 39.116 -21.954 622 HA THR 78 HA THR 78 9.138 41.343 -21.634 623 HB THR 78 HB THR 78 10.749 39.747 -19.582 624 HG1 THR 78 HG1 THR 78 8.989 38.632 -20.534 625 1HG2 THR 78 1HG2 THR 78 8.677 41.938 -19.219 626 2HG2 THR 78 2HG2 THR 78 9.289 40.864 -17.937 627 3HG2 THR 78 3HG2 THR 78 10.391 42.005 -18.729 628 H ILE 79 H ILE 79 12.608 40.642 -21.121 629 HA ILE 79 HA ILE 79 13.380 43.290 -20.382 630 HB ILE 79 HB ILE 79 15.038 41.073 -21.703 631 1HG1 ILE 79 1HG1 ILE 79 15.961 40.820 -19.322 632 2HG1 ILE 79 2HG1 ILE 79 14.525 41.676 -18.755 633 1HG2 ILE 79 1HG2 ILE 79 15.890 43.576 -20.202 634 2HG2 ILE 79 2HG2 ILE 79 16.984 42.266 -20.697 635 3HG2 ILE 79 3HG2 ILE 79 16.157 43.213 -21.923 636 1HD1 ILE 79 1HD1 ILE 79 14.409 39.158 -20.490 637 2HD1 ILE 79 2HD1 ILE 79 14.551 39.100 -18.724 638 3HD1 ILE 79 3HD1 ILE 79 13.124 39.831 -19.451 639 H SER 80 H SER 80 13.051 41.647 -23.438 640 HA SER 80 HA SER 80 14.317 43.350 -25.209 641 1HB SER 80 1HB SER 80 13.168 41.225 -25.829 642 2HB SER 80 2HB SER 80 11.598 42.042 -25.650 643 HG SER 80 HG SER 80 12.340 42.040 -27.815 644 H GLN 81 H GLN 81 10.995 43.738 -23.909 645 HA GLN 81 HA GLN 81 10.300 46.034 -25.300 646 1HB GLN 81 1HB GLN 81 8.737 44.643 -23.980 647 2HB GLN 81 2HB GLN 81 9.480 45.226 -22.482 648 1HG GLN 81 1HG GLN 81 7.380 46.391 -22.955 649 2HG GLN 81 2HG GLN 81 8.728 47.527 -22.969 650 1HE2 GLN 81 2HE2 GLN 81 9.237 48.638 -24.927 651 2HE2 GLN 81 1HE2 GLN 81 8.277 48.440 -26.382 652 H ARG 82 H ARG 82 12.072 45.687 -22.290 653 HA ARG 82 HA ARG 82 12.183 48.448 -21.591 654 1HB ARG 82 1HB ARG 82 12.697 46.602 -20.010 655 2HB ARG 82 2HB ARG 82 14.234 46.318 -20.850 656 1HG ARG 82 1HG ARG 82 15.002 48.571 -20.314 657 2HG ARG 82 2HG ARG 82 13.437 48.958 -19.571 658 1HD ARG 82 1HD ARG 82 13.821 47.187 -17.856 659 2HD ARG 82 2HD ARG 82 15.320 46.734 -18.667 660 HE ARG 82 HE ARG 82 16.431 48.460 -17.704 661 1HH1 ARG 82 1HH1 ARG 82 12.965 49.117 -17.373 662 2HH1 ARG 82 2HH1 ARG 82 13.184 50.472 -16.300 663 1HH2 ARG 82 1HH2 ARG 82 16.727 50.245 -16.304 664 2HH2 ARG 82 2HH2 ARG 82 15.354 51.128 -15.701 665 H ILE 83 H ILE 83 14.376 46.455 -23.667 666 HA ILE 83 HA ILE 83 16.345 48.485 -23.915 667 HB ILE 83 HB ILE 83 15.665 46.461 -26.123 668 1HG1 ILE 83 1HG1 ILE 83 15.688 45.086 -24.413 669 2HG1 ILE 83 2HG1 ILE 83 17.285 44.991 -25.193 670 1HG2 ILE 83 1HG2 ILE 83 17.322 48.171 -26.761 671 2HG2 ILE 83 2HG2 ILE 83 18.321 47.729 -25.360 672 3HG2 ILE 83 3HG2 ILE 83 18.036 46.567 -26.667 673 1HD1 ILE 83 1HD1 ILE 83 18.174 46.393 -23.297 674 2HD1 ILE 83 2HD1 ILE 83 16.584 46.196 -22.497 675 3HD1 ILE 83 3HD1 ILE 83 17.585 44.776 -22.843 676 H VAL 84 H VAL 84 13.622 47.536 -25.995 677 HA VAL 84 HA VAL 84 13.953 49.641 -27.888 678 HB VAL 84 HB VAL 84 11.358 48.236 -27.100 679 1HG1 VAL 84 1HG1 VAL 84 12.075 49.791 -29.618 680 2HG1 VAL 84 2HG1 VAL 84 10.605 48.819 -29.400 681 3HG1 VAL 84 3HG1 VAL 84 10.865 50.250 -28.400 682 1HG2 VAL 84 1HG2 VAL 84 13.093 46.607 -27.858 683 2HG2 VAL 84 2HG2 VAL 84 11.788 46.753 -29.035 684 3HG2 VAL 84 3HG2 VAL 84 13.338 47.565 -29.330 685 H SER 85 H SER 85 11.999 49.632 -24.969 686 HA SER 85 HA SER 85 11.138 52.355 -25.346 687 1HB SER 85 1HB SER 85 11.056 50.569 -22.894 688 2HB SER 85 2HB SER 85 10.156 52.087 -23.108 689 HG SER 85 HG SER 85 9.099 51.118 -24.888 690 H ALA 86 H ALA 86 13.905 52.327 -25.574 691 HA ALA 86 HA ALA 86 14.665 54.377 -23.737 692 1HB ALA 86 1HB ALA 86 16.029 51.659 -23.374 693 2HB ALA 86 2HB ALA 86 16.588 53.189 -22.667 694 3HB ALA 86 3HB ALA 86 15.041 52.497 -22.162 695 H GLN 87 H GLN 87 15.934 51.810 -25.818 696 HA GLN 87 HA GLN 87 18.248 53.033 -26.692 697 1HB GLN 87 1HB GLN 87 17.700 50.640 -27.050 698 2HB GLN 87 2HB GLN 87 16.513 51.088 -28.290 699 1HG GLN 87 1HG GLN 87 18.276 51.936 -29.735 700 2HG GLN 87 2HG GLN 87 19.490 51.712 -28.462 701 1HE2 GLN 87 2HE2 GLN 87 19.929 49.446 -27.743 702 2HE2 GLN 87 1HE2 GLN 87 19.698 48.149 -28.900 703 H SER 88 H SER 88 15.154 53.843 -27.628 704 HA SER 88 HA SER 88 16.184 56.025 -29.349 705 1HB SER 88 1HB SER 88 15.507 54.143 -30.860 706 2HB SER 88 2HB SER 88 13.878 54.192 -30.155 707 HG SER 88 HG SER 88 13.815 56.415 -30.847 708 H LEU 89 H LEU 89 15.224 55.746 -26.583 709 HA LEU 89 HA LEU 89 13.650 56.376 -25.116 710 1HB LEU 89 1HB LEU 89 13.504 58.849 -24.982 711 2HB LEU 89 2HB LEU 89 15.098 58.114 -25.069 712 HG LEU 89 HG LEU 89 15.248 58.736 -27.504 713 1HD1 LEU 89 1HD1 LEU 89 12.765 60.393 -26.830 714 2HD1 LEU 89 2HD1 LEU 89 13.802 60.647 -28.247 715 3HD1 LEU 89 3HD1 LEU 89 12.887 59.150 -28.094 716 1HD2 LEU 89 1HD2 LEU 89 16.352 59.995 -25.709 717 2HD2 LEU 89 2HD2 LEU 89 15.796 61.082 -26.992 718 3HD2 LEU 89 3HD2 LEU 89 14.884 60.969 -25.471 719 H GLY 90 H GLY 90 12.370 55.000 -26.850 720 1HA GLY 90 1HA GLY 90 10.280 55.700 -28.374 721 2HA GLY 90 2HA GLY 90 10.186 54.375 -27.212 722 H GLU 91 H GLU 91 9.145 57.614 -27.981 723 HA GLU 91 HA GLU 91 6.913 57.437 -26.200 724 1HB GLU 91 1HB GLU 91 9.204 58.610 -25.086 725 2HB GLU 91 2HB GLU 91 8.338 60.015 -25.704 726 1HG GLU 91 1HG GLU 91 7.169 57.870 -23.862 727 2HG GLU 91 2HG GLU 91 7.844 59.410 -23.324 728 H ASP 92 H ASP 92 5.380 59.276 -26.733 729 HA ASP 92 HA ASP 92 5.655 60.040 -29.583 730 1HB ASP 92 1HB ASP 92 3.618 58.914 -28.863 731 2HB ASP 92 2HB ASP 92 3.294 60.194 -27.686 732 H ASP 93 H ASP 93 7.433 61.623 -29.002 733 HA ASP 93 HA ASP 93 6.313 64.221 -28.080 734 1HB ASP 93 1HB ASP 93 7.803 63.216 -26.379 735 2HB ASP 93 2HB ASP 93 9.097 63.082 -27.583 736 H VAL 94 H VAL 94 7.574 66.107 -28.986 737 HA VAL 94 HA VAL 94 8.982 65.630 -31.544 738 HB VAL 94 HB VAL 94 6.491 67.382 -31.287 739 1HG1 VAL 94 1HG1 VAL 94 8.368 66.886 -33.643 740 2HG1 VAL 94 2HG1 VAL 94 6.833 67.775 -33.724 741 3HG1 VAL 94 3HG1 VAL 94 8.167 68.417 -32.763 742 1HG2 VAL 94 1HG2 VAL 94 6.951 64.824 -32.882 743 2HG2 VAL 94 2HG2 VAL 94 5.817 65.040 -31.528 744 3HG2 VAL 94 3HG2 VAL 94 5.544 65.893 -33.047 745 H GLU 95 H GLU 95 10.783 66.838 -31.413 746 HA GLU 95 HA GLU 95 11.023 68.975 -29.435 747 1HB GLU 95 1HB GLU 95 13.371 68.995 -30.084 748 2HB GLU 95 2HB GLU 95 12.817 67.374 -29.637 749 1HG GLU 95 1HG GLU 95 12.669 66.770 -32.060 750 2HG GLU 95 2HG GLU 95 13.237 68.393 -32.482 751 1H GLY 1 1H GLY 1 -8.345 23.187 -22.856 752 2H GLY 1 2H GLY 1 -8.808 24.559 -23.656 753 3H GLY 1 3H GLY 1 -8.119 24.639 -22.162 754 1HA GLY 1 1HA GLY 1 -10.412 25.025 -21.902 755 2HA GLY 1 2HA GLY 1 -10.769 23.528 -22.798 756 HA PRO 2 HA PRO 2 -10.073 22.961 -18.023 757 1HB PRO 2 1HB PRO 2 -12.724 22.187 -17.429 758 2HB PRO 2 2HB PRO 2 -12.000 23.782 -17.138 759 1HG PRO 2 1HG PRO 2 -13.652 22.861 -19.490 760 2HG PRO 2 2HG PRO 2 -13.771 24.414 -18.613 761 1HD PRO 2 1HD PRO 2 -12.504 24.241 -20.984 762 2HD PRO 2 2HD PRO 2 -11.784 25.239 -19.687 763 H ARG 3 H ARG 3 -9.491 20.972 -17.342 764 HA ARG 3 HA ARG 3 -8.991 18.791 -17.366 765 1HB ARG 3 1HB ARG 3 -11.377 18.598 -16.693 766 2HB ARG 3 2HB ARG 3 -11.822 18.348 -18.392 767 1HG ARG 3 1HG ARG 3 -10.217 16.369 -18.425 768 2HG ARG 3 2HG ARG 3 -9.995 16.602 -16.680 769 1HD ARG 3 1HD ARG 3 -12.351 16.134 -16.282 770 2HD ARG 3 2HD ARG 3 -12.674 16.120 -18.035 771 HE ARG 3 HE ARG 3 -10.631 14.228 -17.444 772 1HH1 ARG 3 1HH1 ARG 3 -14.114 14.660 -17.011 773 2HH1 ARG 3 2HH1 ARG 3 -14.483 12.960 -17.120 774 1HH2 ARG 3 1HH2 ARG 3 -11.097 11.998 -17.612 775 2HH2 ARG 3 2HH2 ARG 3 -12.734 11.424 -17.459 776 H LEU 4 H LEU 4 -7.381 19.126 -18.974 777 HA LEU 4 HA LEU 4 -7.979 18.771 -21.785 778 1HB LEU 4 1HB LEU 4 -6.142 20.191 -20.762 779 2HB LEU 4 2HB LEU 4 -5.265 18.729 -20.396 780 HG LEU 4 HG LEU 4 -5.727 18.272 -23.055 781 1HD1 LEU 4 1HD1 LEU 4 -5.694 21.298 -22.723 782 2HD1 LEU 4 2HD1 LEU 4 -5.597 20.451 -24.264 783 3HD1 LEU 4 3HD1 LEU 4 -7.088 20.361 -23.295 784 1HD2 LEU 4 1HD2 LEU 4 -3.609 20.192 -21.998 785 2HD2 LEU 4 2HD2 LEU 4 -3.480 18.410 -22.086 786 3HD2 LEU 4 3HD2 LEU 4 -3.552 19.377 -23.560 787 H SER 5 H SER 5 -5.223 16.915 -20.952 788 HA SER 5 HA SER 5 -4.667 14.832 -21.137 789 1HB SER 5 1HB SER 5 -5.641 13.189 -19.793 790 2HB SER 5 2HB SER 5 -5.653 14.748 -18.966 791 HG SER 5 HG SER 5 -7.923 14.855 -19.917 792 H ARG 6 H ARG 6 -7.240 15.681 -23.084 793 HA ARG 6 HA ARG 6 -8.183 13.341 -24.235 794 1HB ARG 6 1HB ARG 6 -7.415 16.021 -25.469 795 2HB ARG 6 2HB ARG 6 -8.241 14.741 -26.376 796 1HG ARG 6 1HG ARG 6 -10.139 14.789 -24.888 797 2HG ARG 6 2HG ARG 6 -9.346 15.937 -23.792 798 1HD ARG 6 1HD ARG 6 -9.373 17.692 -25.399 799 2HD ARG 6 2HD ARG 6 -9.807 16.622 -26.727 800 HE ARG 6 HE ARG 6 -11.564 17.825 -24.722 801 1HH1 ARG 6 1HH1 ARG 6 -11.257 15.143 -27.010 802 2HH1 ARG 6 2HH1 ARG 6 -12.970 14.982 -27.281 803 1HH2 ARG 6 1HH2 ARG 6 -13.834 17.621 -25.068 804 2HH2 ARG 6 2HH2 ARG 6 -14.451 16.394 -26.138 805 H LEU 7 H LEU 7 -5.299 15.191 -25.352 806 HA LEU 7 HA LEU 7 -4.324 12.983 -27.000 807 1HB LEU 7 1HB LEU 7 -2.448 14.259 -27.447 808 2HB LEU 7 2HB LEU 7 -3.892 15.235 -27.644 809 HG LEU 7 HG LEU 7 -2.184 16.575 -26.892 810 1HD1 LEU 7 1HD1 LEU 7 -4.287 17.135 -26.033 811 2HD1 LEU 7 2HD1 LEU 7 -3.908 16.416 -24.471 812 3HD1 LEU 7 3HD1 LEU 7 -2.920 17.756 -25.082 813 1HD2 LEU 7 1HD2 LEU 7 -0.616 15.002 -25.794 814 2HD2 LEU 7 2HD2 LEU 7 -0.954 16.377 -24.717 815 3HD2 LEU 7 3HD2 LEU 7 -1.724 14.863 -24.468 816 H LEU 8 H LEU 8 -3.708 13.944 -23.648 817 HA LEU 8 HA LEU 8 -1.389 12.356 -23.412 818 1HB LEU 8 1HB LEU 8 -3.213 13.231 -21.253 819 2HB LEU 8 2HB LEU 8 -1.624 12.503 -21.026 820 HG LEU 8 HG LEU 8 -1.248 14.764 -20.664 821 1HD1 LEU 8 1HD1 LEU 8 -0.111 14.175 -23.382 822 2HD1 LEU 8 2HD1 LEU 8 0.315 15.535 -22.356 823 3HD1 LEU 8 3HD1 LEU 8 0.569 13.881 -21.790 824 1HD2 LEU 8 1HD2 LEU 8 -3.105 15.427 -22.853 825 2HD2 LEU 8 2HD2 LEU 8 -2.918 16.087 -21.271 826 3HD2 LEU 8 3HD2 LEU 8 -1.777 16.530 -22.539 827 H SER 9 H SER 9 -4.649 11.268 -23.665 828 HA SER 9 HA SER 9 -4.433 8.810 -22.253 829 1HB SER 9 1HB SER 9 -5.944 9.408 -24.835 830 2HB SER 9 2HB SER 9 -6.265 8.087 -23.694 831 HG SER 9 HG SER 9 -6.548 9.848 -22.099 832 H TYR 10 H TYR 10 -2.824 9.977 -25.109 833 HA TYR 10 HA TYR 10 -2.278 7.519 -26.442 834 1HB TYR 10 1HB TYR 10 -0.837 8.834 -27.780 835 2HB TYR 10 2HB TYR 10 -2.271 9.794 -27.457 836 HD1 TYR 10 HD1 TYR 10 -0.524 10.331 -24.444 837 HD2 TYR 10 HD2 TYR 10 -0.182 11.199 -28.661 838 HE1 TYR 10 HE1 TYR 10 0.906 12.157 -23.907 839 HE2 TYR 10 HE2 TYR 10 1.282 13.085 -28.098 840 HH TYR 10 HH TYR 10 2.182 13.914 -24.728 841 H ALA 11 H ALA 11 -1.129 8.537 -23.398 842 HA ALA 11 HA ALA 11 1.134 6.683 -23.457 843 1HB ALA 11 1HB ALA 11 1.461 9.710 -23.080 844 2HB ALA 11 2HB ALA 11 2.728 8.505 -22.779 845 3HB ALA 11 3HB ALA 11 2.105 8.760 -24.420 Start of MODEL 3 1 1H ARG 1 1H ARG 1 -6.702 8.767 -7.257 2 2H ARG 1 2H ARG 1 -5.114 8.348 -7.224 3 3H ARG 1 3H ARG 1 -6.275 7.201 -6.954 4 HA ARG 1 HA ARG 1 -6.965 8.237 -4.966 5 1HB ARG 1 1HB ARG 1 -3.931 7.918 -4.991 6 2HB ARG 1 2HB ARG 1 -4.985 7.929 -3.560 7 1HG ARG 1 1HG ARG 1 -6.191 5.934 -4.463 8 2HG ARG 1 2HG ARG 1 -5.000 5.845 -5.779 9 1HD ARG 1 1HD ARG 1 -3.180 5.596 -4.126 10 2HD ARG 1 2HD ARG 1 -4.365 5.713 -2.804 11 HE ARG 1 HE ARG 1 -5.153 3.636 -4.581 12 1HH1 ARG 1 1HH1 ARG 1 -2.641 4.331 -2.184 13 2HH1 ARG 1 2HH1 ARG 1 -2.418 2.664 -1.729 14 1HH2 ARG 1 1HH2 ARG 1 -4.862 1.436 -3.985 15 2HH2 ARG 1 2HH2 ARG 1 -3.695 1.002 -2.771 16 H ALA 2 H ALA 2 -4.364 9.862 -3.828 17 HA ALA 2 HA ALA 2 -5.648 12.355 -3.786 18 1HB ALA 2 1HB ALA 2 -4.050 11.639 -2.112 19 2HB ALA 2 2HB ALA 2 -2.735 11.647 -3.309 20 3HB ALA 2 3HB ALA 2 -3.530 13.167 -2.848 21 H GLY 3 H GLY 3 -5.974 13.636 -5.730 22 1HA GLY 3 1HA GLY 3 -4.124 13.474 -7.971 23 2HA GLY 3 2HA GLY 3 -5.581 14.463 -7.811 24 H LEU 4 H LEU 4 -2.410 14.153 -6.181 25 HA LEU 4 HA LEU 4 -1.654 16.882 -6.745 26 1HB LEU 4 1HB LEU 4 -3.109 17.159 -4.819 27 2HB LEU 4 2HB LEU 4 -2.196 15.951 -3.910 28 HG LEU 4 HG LEU 4 -1.144 18.765 -4.673 29 1HD1 LEU 4 1HD1 LEU 4 -2.204 17.582 -2.117 30 2HD1 LEU 4 2HD1 LEU 4 -1.508 19.210 -2.350 31 3HD1 LEU 4 3HD1 LEU 4 -3.021 18.769 -3.164 32 1HD2 LEU 4 1HD2 LEU 4 0.036 16.507 -2.982 33 2HD2 LEU 4 2HD2 LEU 4 0.776 17.272 -4.409 34 3HD2 LEU 4 3HD2 LEU 4 0.569 18.199 -2.927 35 H SER 5 H SER 5 0.481 16.609 -7.267 36 HA SER 5 HA SER 5 2.250 14.988 -5.721 37 1HB SER 5 1HB SER 5 1.311 13.211 -7.057 38 2HB SER 5 2HB SER 5 1.445 14.189 -8.541 39 HG SER 5 HG SER 5 3.645 13.965 -8.462 40 H LYS 6 H LYS 6 3.773 16.418 -5.497 41 HA LYS 6 HA LYS 6 4.631 18.236 -7.717 42 1HB LYS 6 1HB LYS 6 5.158 18.387 -4.722 43 2HB LYS 6 2HB LYS 6 5.496 19.625 -5.936 44 1HG LYS 6 1HG LYS 6 3.007 19.959 -6.227 45 2HG LYS 6 2HG LYS 6 2.710 18.658 -5.071 46 1HD LYS 6 1HD LYS 6 2.427 20.625 -3.869 47 2HD LYS 6 2HD LYS 6 3.956 19.919 -3.329 48 1HE LYS 6 1HE LYS 6 5.185 21.560 -4.810 49 2HE LYS 6 2HE LYS 6 3.626 22.248 -5.292 50 1HZ LYS 6 1HZ LYS 6 3.263 22.826 -2.993 51 2HZ LYS 6 2HZ LYS 6 4.723 22.192 -2.565 52 3HZ LYS 6 3HZ LYS 6 4.654 23.497 -3.564 53 H LEU 7 H LEU 7 5.844 16.307 -8.682 54 HA LEU 7 HA LEU 7 7.757 15.083 -9.004 55 1HB LEU 7 1HB LEU 7 8.873 17.730 -7.995 56 2HB LEU 7 2HB LEU 7 9.815 16.536 -8.876 57 HG LEU 7 HG LEU 7 7.352 17.922 -10.024 58 1HD1 LEU 7 1HD1 LEU 7 10.300 18.586 -10.348 59 2HD1 LEU 7 2HD1 LEU 7 8.964 19.311 -11.271 60 3HD1 LEU 7 3HD1 LEU 7 9.071 19.570 -9.521 61 1HD2 LEU 7 1HD2 LEU 7 7.951 15.757 -11.155 62 2HD2 LEU 7 2HD2 LEU 7 8.245 17.154 -12.189 63 3HD2 LEU 7 3HD2 LEU 7 9.606 16.369 -11.390 64 HA PRO 8 HA PRO 8 8.316 14.003 -4.499 65 1HB PRO 8 1HB PRO 8 7.547 11.347 -4.647 66 2HB PRO 8 2HB PRO 8 6.458 12.727 -4.373 67 1HG PRO 8 1HG PRO 8 7.044 11.367 -7.018 68 2HG PRO 8 2HG PRO 8 5.453 11.783 -6.319 69 1HD PRO 8 1HD PRO 8 6.638 13.373 -8.150 70 2HD PRO 8 2HD PRO 8 5.767 14.088 -6.767 71 H ASP 9 H ASP 9 8.966 11.025 -6.384 72 HA ASP 9 HA ASP 9 11.701 11.047 -5.335 73 1HB ASP 9 1HB ASP 9 10.299 8.993 -5.319 74 2HB ASP 9 2HB ASP 9 10.369 8.960 -7.093 75 H LEU 10 H LEU 10 10.112 11.527 -8.442 76 HA LEU 10 HA LEU 10 10.664 12.262 -10.371 77 1HB LEU 10 1HB LEU 10 12.358 13.619 -8.477 78 2HB LEU 10 2HB LEU 10 13.440 13.189 -9.784 79 HG LEU 10 HG LEU 10 10.925 14.976 -10.025 80 1HD1 LEU 10 1HD1 LEU 10 13.851 15.565 -9.811 81 2HD1 LEU 10 2HD1 LEU 10 12.529 16.727 -10.146 82 3HD1 LEU 10 3HD1 LEU 10 12.583 15.862 -8.593 83 1HD2 LEU 10 1HD2 LEU 10 13.210 14.345 -11.971 84 2HD2 LEU 10 2HD2 LEU 10 11.544 13.776 -12.158 85 3HD2 LEU 10 3HD2 LEU 10 11.893 15.512 -12.237 86 H LYS 11 H LYS 11 12.800 9.984 -9.084 87 HA LYS 11 HA LYS 11 14.343 9.466 -11.462 88 1HB LYS 11 1HB LYS 11 13.461 7.364 -9.459 89 2HB LYS 11 2HB LYS 11 14.901 7.323 -10.470 90 1HG LYS 11 1HG LYS 11 14.419 9.249 -8.174 91 2HG LYS 11 2HG LYS 11 15.246 7.716 -8.000 92 1HD LYS 11 1HD LYS 11 17.087 8.407 -9.394 93 2HD LYS 11 2HD LYS 11 16.282 9.926 -9.830 94 1HE LYS 11 1HE LYS 11 17.154 9.083 -7.021 95 2HE LYS 11 2HE LYS 11 17.987 10.246 -8.065 96 1HZ LYS 11 1HZ LYS 11 16.008 11.618 -7.978 97 2HZ LYS 11 2HZ LYS 11 15.267 10.565 -6.960 98 3HZ LYS 11 3HZ LYS 11 16.628 11.348 -6.474 99 H ASP 12 H ASP 12 11.158 8.369 -10.326 100 HA ASP 12 HA ASP 12 10.856 6.430 -12.465 101 1HB ASP 12 1HB ASP 12 8.801 7.609 -10.568 102 2HB ASP 12 2HB ASP 12 8.553 6.228 -11.652 103 H ALA 13 H ALA 13 9.752 6.600 -14.272 104 HA ALA 13 HA ALA 13 9.389 9.215 -15.465 105 1HB ALA 13 1HB ALA 13 10.377 7.365 -16.742 106 2HB ALA 13 2HB ALA 13 8.871 6.432 -16.589 107 3HB ALA 13 3HB ALA 13 8.892 7.949 -17.515 108 H GLU 14 H GLU 14 7.284 6.623 -14.369 109 HA GLU 14 HA GLU 14 4.881 7.751 -15.425 110 1HB GLU 14 1HB GLU 14 3.663 6.174 -14.232 111 2HB GLU 14 2HB GLU 14 5.180 5.398 -14.681 112 1HG GLU 14 1HG GLU 14 4.851 4.655 -12.508 113 2HG GLU 14 2HG GLU 14 5.993 5.972 -12.257 114 H ALA 15 H ALA 15 6.576 8.165 -12.363 115 HA ALA 15 HA ALA 15 4.634 9.767 -11.009 116 1HB ALA 15 1HB ALA 15 6.577 8.688 -9.890 117 2HB ALA 15 2HB ALA 15 7.677 9.799 -10.736 118 3HB ALA 15 3HB ALA 15 6.521 10.429 -9.552 119 H VAL 16 H VAL 16 7.182 10.478 -13.275 120 HA VAL 16 HA VAL 16 6.933 13.397 -13.111 121 HB VAL 16 HB VAL 16 8.728 11.516 -14.420 122 1HG1 VAL 16 1HG1 VAL 16 8.029 13.920 -16.075 123 2HG1 VAL 16 2HG1 VAL 16 9.420 12.834 -16.293 124 3HG1 VAL 16 3HG1 VAL 16 7.788 12.207 -16.522 125 1HG2 VAL 16 1HG2 VAL 16 9.382 12.853 -12.631 126 2HG2 VAL 16 2HG2 VAL 16 10.366 13.068 -14.091 127 3HG2 VAL 16 3HG2 VAL 16 9.171 14.318 -13.639 128 H GLN 17 H GLN 17 5.664 10.756 -15.111 129 HA GLN 17 HA GLN 17 4.393 12.434 -17.059 130 1HB GLN 17 1HB GLN 17 4.766 9.922 -17.278 131 2HB GLN 17 2HB GLN 17 3.385 9.702 -16.176 132 1HG GLN 17 1HG GLN 17 1.912 10.839 -17.762 133 2HG GLN 17 2HG GLN 17 3.288 11.172 -18.832 134 1HE2 GLN 17 2HE2 GLN 17 1.700 9.976 -20.360 135 2HE2 GLN 17 1HE2 GLN 17 1.908 8.243 -20.464 136 H LYS 18 H LYS 18 3.369 11.062 -13.942 137 HA LYS 18 HA LYS 18 0.679 12.089 -14.049 138 1HB LYS 18 1HB LYS 18 2.433 11.307 -11.652 139 2HB LYS 18 2HB LYS 18 0.715 11.715 -11.581 140 1HG LYS 18 1HG LYS 18 0.600 9.715 -13.438 141 2HG LYS 18 2HG LYS 18 2.006 9.167 -12.539 142 1HD LYS 18 1HD LYS 18 -0.673 9.850 -11.300 143 2HD LYS 18 2HD LYS 18 -0.121 8.226 -11.732 144 1HE LYS 18 1HE LYS 18 1.310 10.034 -9.734 145 2HE LYS 18 2HE LYS 18 0.145 8.769 -9.310 146 1HZ LYS 18 1HZ LYS 18 1.659 7.179 -10.450 147 2HZ LYS 18 2HZ LYS 18 2.763 8.339 -10.604 148 3HZ LYS 18 3HZ LYS 18 2.301 7.884 -9.108 149 H PHE 19 H PHE 19 3.614 13.449 -12.488 150 HA PHE 19 HA PHE 19 2.274 15.834 -11.635 151 1HB PHE 19 1HB PHE 19 4.329 15.522 -10.594 152 2HB PHE 19 2HB PHE 19 5.154 15.080 -12.086 153 HD1 PHE 19 HD1 PHE 19 5.782 16.752 -13.776 154 HD2 PHE 19 HD2 PHE 19 4.198 17.948 -9.952 155 HE1 PHE 19 HE1 PHE 19 6.568 19.094 -14.127 156 HE2 PHE 19 HE2 PHE 19 5.025 20.243 -10.327 157 HZ PHE 19 HZ PHE 19 6.244 20.774 -12.516 158 H PHE 20 H PHE 20 4.006 15.061 -14.664 159 HA PHE 20 HA PHE 20 4.014 17.618 -15.832 160 1HB PHE 20 1HB PHE 20 5.316 15.916 -16.768 161 2HB PHE 20 2HB PHE 20 3.941 14.832 -16.994 162 HD1 PHE 20 HD1 PHE 20 4.929 18.289 -18.078 163 HD2 PHE 20 HD2 PHE 20 3.444 14.400 -19.202 164 HE1 PHE 20 HE1 PHE 20 4.859 18.995 -20.460 165 HE2 PHE 20 HE2 PHE 20 3.381 15.111 -21.573 166 HZ PHE 20 HZ PHE 20 4.099 17.395 -22.202 167 H LEU 21 H LEU 21 1.593 14.945 -16.110 168 HA LEU 21 HA LEU 21 -0.385 16.496 -17.509 169 1HB LEU 21 1HB LEU 21 -0.114 13.794 -16.209 170 2HB LEU 21 2HB LEU 21 -1.711 14.447 -16.045 171 HG LEU 21 HG LEU 21 -0.434 14.131 -18.822 172 1HD1 LEU 21 1HD1 LEU 21 -2.115 12.206 -17.169 173 2HD1 LEU 21 2HD1 LEU 21 -1.725 12.029 -18.893 174 3HD1 LEU 21 3HD1 LEU 21 -0.435 11.980 -17.689 175 1HD2 LEU 21 1HD2 LEU 21 -3.252 14.619 -17.724 176 2HD2 LEU 21 2HD2 LEU 21 -2.285 15.707 -18.745 177 3HD2 LEU 21 3HD2 LEU 21 -2.898 14.180 -19.383 178 H GLU 22 H GLU 22 0.304 16.069 -14.079 179 HA GLU 22 HA GLU 22 -2.155 17.161 -13.161 180 1HB GLU 22 1HB GLU 22 -0.467 15.985 -11.730 181 2HB GLU 22 2HB GLU 22 0.552 17.439 -11.783 182 1HG GLU 22 1HG GLU 22 -1.126 18.729 -10.633 183 2HG GLU 22 2HG GLU 22 -2.302 17.408 -10.757 184 H GLU 23 H GLU 23 0.824 18.673 -14.406 185 HA GLU 23 HA GLU 23 -0.024 21.397 -13.753 186 1HB GLU 23 1HB GLU 23 2.314 20.311 -15.358 187 2HB GLU 23 2HB GLU 23 1.898 22.025 -15.214 188 1HG GLU 23 1HG GLU 23 1.854 21.593 -12.622 189 2HG GLU 23 2HG GLU 23 2.796 20.147 -13.024 190 H ILE 24 H ILE 24 0.202 19.419 -16.707 191 HA ILE 24 HA ILE 24 -0.781 21.332 -18.568 192 HB ILE 24 HB ILE 24 -0.695 18.319 -18.468 193 1HG1 ILE 24 1HG1 ILE 24 0.308 20.348 -20.407 194 2HG1 ILE 24 2HG1 ILE 24 1.035 18.851 -19.823 195 1HG2 ILE 24 1HG2 ILE 24 -3.034 18.402 -18.904 196 2HG2 ILE 24 2HG2 ILE 24 -2.709 19.422 -20.322 197 3HG2 ILE 24 3HG2 ILE 24 -2.133 17.750 -20.213 198 1HD1 ILE 24 1HD1 ILE 24 -1.205 18.934 -21.912 199 2HD1 ILE 24 2HD1 ILE 24 0.498 18.871 -22.220 200 3HD1 ILE 24 3HD1 ILE 24 -0.244 17.535 -21.353 201 H GLN 25 H GLN 25 -2.568 19.089 -16.467 202 HA GLN 25 HA GLN 25 -5.177 20.197 -17.196 203 1HB GLN 25 1HB GLN 25 -4.321 18.383 -14.881 204 2HB GLN 25 2HB GLN 25 -5.996 18.752 -15.301 205 1HG GLN 25 1HG GLN 25 -5.805 17.508 -17.421 206 2HG GLN 25 2HG GLN 25 -4.092 17.194 -17.127 207 1HE2 GLN 25 2HE2 GLN 25 -3.461 15.843 -15.396 208 2HE2 GLN 25 1HE2 GLN 25 -4.576 14.652 -14.741 209 H LEU 26 H LEU 26 -3.217 20.500 -14.289 210 HA LEU 26 HA LEU 26 -4.972 22.121 -12.787 211 1HB LEU 26 1HB LEU 26 -3.030 21.198 -11.772 212 2HB LEU 26 2HB LEU 26 -1.949 22.119 -12.850 213 HG LEU 26 HG LEU 26 -1.792 22.890 -10.665 214 1HD1 LEU 26 1HD1 LEU 26 -1.804 24.634 -12.530 215 2HD1 LEU 26 2HD1 LEU 26 -3.428 25.072 -11.940 216 3HD1 LEU 26 3HD1 LEU 26 -2.047 25.196 -10.862 217 1HD2 LEU 26 1HD2 LEU 26 -3.915 22.076 -9.837 218 2HD2 LEU 26 2HD2 LEU 26 -3.659 23.783 -9.397 219 3HD2 LEU 26 3HD2 LEU 26 -4.775 23.361 -10.732 220 H GLY 27 H GLY 27 -2.523 23.097 -15.211 221 1HA GLY 27 1HA GLY 27 -3.012 25.915 -15.145 222 2HA GLY 27 2HA GLY 27 -2.381 25.024 -16.550 223 H GLU 28 H GLU 28 -4.288 23.498 -17.615 224 HA GLU 28 HA GLU 28 -6.079 25.279 -18.752 225 1HB GLU 28 1HB GLU 28 -5.640 22.870 -19.446 226 2HB GLU 28 2HB GLU 28 -6.801 22.409 -18.189 227 1HG GLU 28 1HG GLU 28 -8.411 24.143 -19.410 228 2HG GLU 28 2HG GLU 28 -7.234 24.065 -20.726 229 H GLU 29 H GLU 29 -6.642 23.405 -15.844 230 HA GLU 29 HA GLU 29 -9.364 24.153 -15.385 231 1HB GLU 29 1HB GLU 29 -8.196 22.173 -14.442 232 2HB GLU 29 2HB GLU 29 -7.351 23.241 -13.301 233 1HG GLU 29 1HG GLU 29 -9.081 23.175 -11.894 234 2HG GLU 29 2HG GLU 29 -10.198 23.729 -13.149 235 H LEU 30 H LEU 30 -6.277 25.627 -14.206 236 HA LEU 30 HA LEU 30 -7.697 27.594 -12.621 237 1HB LEU 30 1HB LEU 30 -4.848 27.178 -13.603 238 2HB LEU 30 2HB LEU 30 -5.296 28.804 -13.159 239 HG LEU 30 HG LEU 30 -5.324 26.412 -11.265 240 1HD1 LEU 30 1HD1 LEU 30 -3.086 27.349 -11.992 241 2HD1 LEU 30 2HD1 LEU 30 -3.591 28.905 -11.306 242 3HD1 LEU 30 3HD1 LEU 30 -3.420 27.487 -10.254 243 1HD2 LEU 30 1HD2 LEU 30 -5.908 29.388 -10.754 244 2HD2 LEU 30 2HD2 LEU 30 -7.074 28.062 -10.549 245 3HD2 LEU 30 3HD2 LEU 30 -5.662 28.165 -9.498 246 H LEU 31 H LEU 31 -6.556 27.452 -15.970 247 HA LEU 31 HA LEU 31 -7.365 30.186 -16.624 248 1HB LEU 31 1HB LEU 31 -6.949 27.646 -18.216 249 2HB LEU 31 2HB LEU 31 -7.442 29.164 -18.971 250 HG LEU 31 HG LEU 31 -5.437 30.206 -18.618 251 1HD1 LEU 31 1HD1 LEU 31 -5.252 29.806 -16.090 252 2HD1 LEU 31 2HD1 LEU 31 -4.346 28.347 -16.496 253 3HD1 LEU 31 3HD1 LEU 31 -3.807 29.920 -17.052 254 1HD2 LEU 31 1HD2 LEU 31 -5.308 28.167 -20.033 255 2HD2 LEU 31 2HD2 LEU 31 -3.744 28.615 -19.290 256 3HD2 LEU 31 3HD2 LEU 31 -4.698 27.273 -18.617 257 H ALA 32 H ALA 32 -9.003 27.100 -16.410 258 HA ALA 32 HA ALA 32 -11.455 27.897 -17.574 259 1HB ALA 32 1HB ALA 32 -10.761 25.514 -16.847 260 2HB ALA 32 2HB ALA 32 -11.325 25.965 -15.226 261 3HB ALA 32 3HB ALA 32 -12.447 25.993 -16.572 262 H GLN 33 H GLN 33 -9.934 28.883 -14.627 263 HA GLN 33 HA GLN 33 -12.396 30.075 -13.521 264 1HB GLN 33 1HB GLN 33 -10.219 28.808 -12.344 265 2HB GLN 33 2HB GLN 33 -9.796 30.504 -12.122 266 1HG GLN 33 1HG GLN 33 -12.563 29.437 -11.392 267 2HG GLN 33 2HG GLN 33 -11.177 29.175 -10.346 268 1HE2 GLN 33 2HE2 GLN 33 -12.318 32.113 -12.222 269 2HE2 GLN 33 1HE2 GLN 33 -12.279 33.140 -10.808 270 H GLY 34 H GLY 34 -9.284 30.753 -14.939 271 1HA GLY 34 1HA GLY 34 -9.380 32.629 -16.616 272 2HA GLY 34 2HA GLY 34 -9.916 33.658 -15.288 273 H ASP 35 H ASP 35 -7.503 31.323 -14.281 274 HA ASP 35 HA ASP 35 -5.658 33.624 -14.009 275 1HB ASP 35 1HB ASP 35 -6.200 32.141 -12.106 276 2HB ASP 35 2HB ASP 35 -5.224 30.889 -12.873 277 H TYR 36 H TYR 36 -5.608 33.495 -16.451 278 HA TYR 36 HA TYR 36 -4.106 31.898 -18.124 279 1HB TYR 36 1HB TYR 36 -3.974 34.897 -18.162 280 2HB TYR 36 2HB TYR 36 -3.895 33.758 -19.511 281 HD1 TYR 36 HD1 TYR 36 -6.071 32.107 -19.611 282 HD2 TYR 36 HD2 TYR 36 -6.002 36.077 -17.933 283 HE1 TYR 36 HE1 TYR 36 -8.514 32.274 -19.919 284 HE2 TYR 36 HE2 TYR 36 -8.451 36.244 -18.247 285 HH TYR 36 HH TYR 36 -10.392 33.567 -19.617 286 H GLU 37 H GLU 37 -2.947 34.275 -15.901 287 HA GLU 37 HA GLU 37 -0.202 34.289 -16.556 288 1HB GLU 37 1HB GLU 37 -0.416 36.011 -15.139 289 2HB GLU 37 2HB GLU 37 -1.906 35.371 -14.462 290 1HG GLU 37 1HG GLU 37 -0.277 35.781 -12.740 291 2HG GLU 37 2HG GLU 37 -0.734 34.087 -12.809 292 H LYS 38 H LYS 38 -1.979 32.395 -14.206 293 HA LYS 38 HA LYS 38 0.345 30.794 -13.562 294 1HB LYS 38 1HB LYS 38 -2.589 30.558 -12.899 295 2HB LYS 38 2HB LYS 38 -1.560 29.166 -12.624 296 1HG LYS 38 1HG LYS 38 -0.810 31.903 -11.558 297 2HG LYS 38 2HG LYS 38 -1.832 30.791 -10.645 298 1HD LYS 38 1HD LYS 38 -0.180 29.278 -10.227 299 2HD LYS 38 2HD LYS 38 0.703 29.564 -11.720 300 1HE LYS 38 1HE LYS 38 0.649 31.705 -9.582 301 2HE LYS 38 2HE LYS 38 1.720 30.300 -9.433 302 1HZ LYS 38 1HZ LYS 38 2.679 30.807 -11.541 303 2HZ LYS 38 2HZ LYS 38 1.750 32.169 -11.716 304 3HZ LYS 38 3HZ LYS 38 2.843 32.073 -10.506 305 H GLY 39 H GLY 39 -2.116 30.460 -16.076 306 1HA GLY 39 1HA GLY 39 -1.449 27.717 -16.712 307 2HA GLY 39 2HA GLY 39 -2.096 28.911 -17.855 308 H VAL 40 H VAL 40 -0.052 30.883 -17.638 309 HA VAL 40 HA VAL 40 1.733 29.776 -19.607 310 HB VAL 40 HB VAL 40 1.906 32.377 -17.963 311 1HG1 VAL 40 1HG1 VAL 40 3.641 31.466 -20.255 312 2HG1 VAL 40 2HG1 VAL 40 3.593 33.109 -19.598 313 3HG1 VAL 40 3HG1 VAL 40 4.178 31.788 -18.599 314 1HG2 VAL 40 1HG2 VAL 40 0.992 31.838 -20.832 315 2HG2 VAL 40 2HG2 VAL 40 0.092 32.625 -19.530 316 3HG2 VAL 40 3HG2 VAL 40 1.481 33.421 -20.251 317 H ASP 41 H ASP 41 2.156 30.573 -16.206 318 HA ASP 41 HA ASP 41 4.869 29.754 -15.946 319 1HB ASP 41 1HB ASP 41 4.041 31.182 -14.274 320 2HB ASP 41 2HB ASP 41 2.600 30.194 -14.004 321 H HIS 42 H HIS 42 1.914 28.011 -15.089 322 HA HIS 42 HA HIS 42 3.278 25.598 -14.364 323 1HB HIS 42 1HB HIS 42 0.365 26.145 -14.993 324 2HB HIS 42 2HB HIS 42 0.966 24.514 -14.696 325 HD1 HIS 42 HD1 HIS 42 2.584 24.325 -12.394 326 HD2 HIS 42 HD2 HIS 42 -0.400 27.272 -12.569 327 HE1 HIS 42 HE1 HIS 42 2.072 25.038 -10.011 328 H LEU 43 H LEU 43 2.045 26.772 -17.528 329 HA LEU 43 HA LEU 43 2.522 24.121 -18.637 330 1HB LEU 43 1HB LEU 43 1.024 26.019 -19.662 331 2HB LEU 43 2HB LEU 43 2.551 26.582 -20.361 332 HG LEU 43 HG LEU 43 2.766 24.047 -21.112 333 1HD1 LEU 43 1HD1 LEU 43 0.805 23.188 -19.773 334 2HD1 LEU 43 2HD1 LEU 43 -0.268 24.268 -20.679 335 3HD1 LEU 43 3HD1 LEU 43 0.561 22.944 -21.506 336 1HD2 LEU 43 1HD2 LEU 43 0.694 25.942 -22.320 337 2HD2 LEU 43 2HD2 LEU 43 2.430 25.867 -22.707 338 3HD2 LEU 43 3HD2 LEU 43 1.367 24.518 -23.145 339 H THR 44 H THR 44 4.383 27.162 -18.268 340 HA THR 44 HA THR 44 6.669 26.406 -19.719 341 HB THR 44 HB THR 44 6.566 28.131 -17.237 342 HG1 THR 44 HG1 THR 44 5.399 28.870 -19.039 343 1HG2 THR 44 1HG2 THR 44 8.764 27.713 -19.308 344 2HG2 THR 44 2HG2 THR 44 8.709 29.032 -18.121 345 3HG2 THR 44 3HG2 THR 44 8.873 27.359 -17.568 346 H ASN 45 H ASN 45 5.629 25.566 -16.485 347 HA ASN 45 HA ASN 45 8.045 24.174 -15.685 348 1HB ASN 45 1HB ASN 45 5.277 24.235 -14.508 349 2HB ASN 45 2HB ASN 45 6.527 23.107 -13.945 350 1HD2 ASN 45 2HD2 ASN 45 5.846 26.603 -14.325 351 2HD2 ASN 45 1HD2 ASN 45 6.912 27.106 -13.052 352 H ALA 46 H ALA 46 4.945 23.180 -17.199 353 HA ALA 46 HA ALA 46 5.366 20.424 -17.205 354 1HB ALA 46 1HB ALA 46 3.258 21.642 -17.856 355 2HB ALA 46 2HB ALA 46 3.974 21.928 -19.455 356 3HB ALA 46 3HB ALA 46 3.678 20.286 -18.883 357 H ILE 47 H ILE 47 6.512 22.957 -19.473 358 HA ILE 47 HA ILE 47 7.978 21.173 -21.196 359 HB ILE 47 HB ILE 47 8.300 24.152 -20.711 360 1HG1 ILE 47 1HG1 ILE 47 7.517 24.240 -23.167 361 2HG1 ILE 47 2HG1 ILE 47 7.042 22.542 -23.002 362 1HG2 ILE 47 1HG2 ILE 47 9.937 22.457 -22.560 363 2HG2 ILE 47 2HG2 ILE 47 9.781 24.222 -22.695 364 3HG2 ILE 47 3HG2 ILE 47 10.485 23.523 -21.258 365 1HD1 ILE 47 1HD1 ILE 47 6.097 24.819 -21.232 366 2HD1 ILE 47 2HD1 ILE 47 5.216 24.270 -22.656 367 3HD1 ILE 47 3HD1 ILE 47 5.425 23.154 -21.307 368 H ALA 48 H ALA 48 8.819 22.788 -18.233 369 HA ALA 48 HA ALA 48 11.636 22.367 -18.414 370 1HB ALA 48 1HB ALA 48 10.641 24.023 -16.876 371 2HB ALA 48 2HB ALA 48 10.044 22.690 -15.848 372 3HB ALA 48 3HB ALA 48 11.785 22.923 -16.081 373 H VAL 49 H VAL 49 9.002 20.286 -17.375 374 HA VAL 49 HA VAL 49 10.982 18.250 -16.468 375 HB VAL 49 HB VAL 49 9.221 17.145 -15.460 376 1HG1 VAL 49 1HG1 VAL 49 10.173 19.325 -14.461 377 2HG1 VAL 49 2HG1 VAL 49 8.621 20.068 -14.894 378 3HG1 VAL 49 3HG1 VAL 49 8.675 18.705 -13.763 379 1HG2 VAL 49 1HG2 VAL 49 7.409 17.618 -17.244 380 2HG2 VAL 49 2HG2 VAL 49 6.926 17.573 -15.567 381 3HG2 VAL 49 3HG2 VAL 49 7.136 19.141 -16.371 382 H CYS 50 H CYS 50 9.014 19.075 -19.238 383 HA CYS 50 HA CYS 50 8.937 16.268 -20.171 384 1HB CYS 50 1HB CYS 50 7.050 17.560 -20.636 385 2HB CYS 50 2HB CYS 50 7.989 18.863 -21.401 386 HG CYS 50 HG CYS 50 7.837 15.699 -22.309 387 H GLY 51 H GLY 51 10.539 19.357 -21.168 388 1HA GLY 51 1HA GLY 51 12.621 19.669 -22.076 389 2HA GLY 51 2HA GLY 51 12.970 17.944 -21.910 390 H GLN 52 H GLN 52 10.053 18.249 -23.511 391 HA GLN 52 HA GLN 52 11.192 18.393 -26.303 392 1HB GLN 52 1HB GLN 52 10.823 16.018 -25.385 393 2HB GLN 52 2HB GLN 52 9.104 16.401 -25.404 394 1HG GLN 52 1HG GLN 52 9.527 15.366 -27.486 395 2HG GLN 52 2HG GLN 52 9.464 17.095 -27.873 396 1HE2 GLN 52 2HE2 GLN 52 11.315 18.078 -28.778 397 2HE2 GLN 52 1HE2 GLN 52 12.807 17.203 -29.053 398 HA PRO 53 HA PRO 53 7.627 21.218 -24.991 399 1HB PRO 53 1HB PRO 53 8.586 23.488 -26.335 400 2HB PRO 53 2HB PRO 53 8.830 23.097 -24.618 401 1HG PRO 53 1HG PRO 53 10.708 22.515 -26.905 402 2HG PRO 53 2HG PRO 53 11.089 23.237 -25.312 403 1HD PRO 53 1HD PRO 53 11.550 20.663 -25.692 404 2HD PRO 53 2HD PRO 53 10.722 21.171 -24.195 405 H GLN 54 H GLN 54 9.332 21.312 -28.094 406 HA GLN 54 HA GLN 54 7.135 22.096 -29.690 407 1HB GLN 54 1HB GLN 54 9.452 20.282 -30.538 408 2HB GLN 54 2HB GLN 54 8.428 21.258 -31.599 409 1HG GLN 54 1HG GLN 54 9.366 23.348 -30.501 410 2HG GLN 54 2HG GLN 54 10.438 22.329 -29.540 411 1HE2 GLN 54 2HE2 GLN 54 9.519 22.971 -32.976 412 2HE2 GLN 54 1HE2 GLN 54 11.137 22.703 -33.595 413 H GLN 55 H GLN 55 8.013 18.773 -28.776 414 HA GLN 55 HA GLN 55 6.032 17.584 -30.446 415 1HB GLN 55 1HB GLN 55 7.902 16.313 -29.264 416 2HB GLN 55 2HB GLN 55 7.005 16.522 -27.746 417 1HG GLN 55 1HG GLN 55 6.470 14.375 -28.419 418 2HG GLN 55 2HG GLN 55 5.066 15.276 -28.987 419 1HE2 GLN 55 2HE2 GLN 55 4.999 15.799 -31.349 420 2HE2 GLN 55 1HE2 GLN 55 5.902 14.803 -32.476 421 H LEU 56 H LEU 56 5.923 18.821 -27.149 422 HA LEU 56 HA LEU 56 3.190 18.132 -26.767 423 1HB LEU 56 1HB LEU 56 4.768 18.556 -24.858 424 2HB LEU 56 2HB LEU 56 4.853 20.260 -25.327 425 HG LEU 56 HG LEU 56 2.387 20.439 -24.930 426 1HD1 LEU 56 1HD1 LEU 56 2.409 17.608 -24.817 427 2HD1 LEU 56 2HD1 LEU 56 2.309 18.084 -23.138 428 3HD1 LEU 56 3HD1 LEU 56 1.102 18.661 -24.275 429 1HD2 LEU 56 1HD2 LEU 56 4.210 19.692 -22.641 430 2HD2 LEU 56 2HD2 LEU 56 3.947 21.294 -23.341 431 3HD2 LEU 56 3HD2 LEU 56 2.631 20.495 -22.462 432 H LEU 57 H LEU 57 4.838 21.062 -28.020 433 HA LEU 57 HA LEU 57 2.439 22.623 -28.111 434 1HB LEU 57 1HB LEU 57 4.899 22.898 -29.886 435 2HB LEU 57 2HB LEU 57 3.599 24.076 -29.717 436 HG LEU 57 HG LEU 57 5.659 23.348 -27.596 437 1HD1 LEU 57 1HD1 LEU 57 5.104 25.858 -29.170 438 2HD1 LEU 57 2HD1 LEU 57 6.282 25.698 -27.846 439 3HD1 LEU 57 3HD1 LEU 57 6.484 24.764 -29.337 440 1HD2 LEU 57 1HD2 LEU 57 3.188 25.078 -27.278 441 2HD2 LEU 57 2HD2 LEU 57 3.657 23.662 -26.320 442 3HD2 LEU 57 3HD2 LEU 57 4.606 25.141 -26.210 443 H GLN 58 H GLN 58 3.712 20.284 -30.505 444 HA GLN 58 HA GLN 58 1.618 21.057 -32.363 445 1HB GLN 58 1HB GLN 58 1.980 18.968 -33.527 446 2HB GLN 58 2HB GLN 58 3.449 19.928 -33.321 447 1HG GLN 58 1HG GLN 58 4.255 18.462 -31.596 448 2HG GLN 58 2HG GLN 58 2.741 17.529 -31.577 449 1HE2 GLN 58 2HE2 GLN 58 2.336 16.026 -33.269 450 2HE2 GLN 58 1HE2 GLN 58 3.594 15.559 -34.405 451 H VAL 59 H VAL 59 1.859 18.762 -29.671 452 HA VAL 59 HA VAL 59 -0.679 17.592 -30.065 453 HB VAL 59 HB VAL 59 1.364 16.945 -28.458 454 1HG1 VAL 59 1HG1 VAL 59 -0.813 17.846 -26.450 455 2HG1 VAL 59 2HG1 VAL 59 0.533 16.762 -26.086 456 3HG1 VAL 59 3HG1 VAL 59 0.846 18.412 -26.463 457 1HG2 VAL 59 1HG2 VAL 59 -1.408 16.042 -28.318 458 2HG2 VAL 59 2HG2 VAL 59 -0.053 15.489 -29.371 459 3HG2 VAL 59 3HG2 VAL 59 0.045 15.259 -27.616 460 H LEU 60 H LEU 60 0.254 20.557 -28.412 461 HA LEU 60 HA LEU 60 -2.427 21.038 -27.316 462 1HB LEU 60 1HB LEU 60 0.162 22.546 -27.595 463 2HB LEU 60 2HB LEU 60 -1.294 23.458 -27.267 464 HG LEU 60 HG LEU 60 0.225 22.771 -25.381 465 1HD1 LEU 60 1HD1 LEU 60 -2.812 22.218 -25.239 466 2HD1 LEU 60 2HD1 LEU 60 -1.813 22.502 -23.808 467 3HD1 LEU 60 3HD1 LEU 60 -2.047 23.797 -24.993 468 1HD2 LEU 60 1HD2 LEU 60 0.356 20.374 -25.780 469 2HD2 LEU 60 2HD2 LEU 60 -0.264 20.715 -24.169 470 3HD2 LEU 60 3HD2 LEU 60 -1.370 20.166 -25.443 471 H GLN 61 H GLN 61 -0.731 21.840 -30.371 472 HA GLN 61 HA GLN 61 -2.712 23.869 -31.070 473 1HB GLN 61 1HB GLN 61 -0.497 24.105 -31.997 474 2HB GLN 61 2HB GLN 61 -0.512 22.462 -32.655 475 1HG GLN 61 1HG GLN 61 -2.149 23.076 -34.357 476 2HG GLN 61 2HG GLN 61 -2.357 24.679 -33.629 477 1HE2 GLN 61 2HE2 GLN 61 -1.758 25.690 -35.636 478 2HE2 GLN 61 1HE2 GLN 61 -0.087 25.694 -36.163 479 H GLN 62 H GLN 62 -2.104 20.511 -31.663 480 HA GLN 62 HA GLN 62 -4.026 19.934 -33.682 481 1HB GLN 62 1HB GLN 62 -2.045 18.618 -33.369 482 2HB GLN 62 2HB GLN 62 -2.434 18.318 -31.655 483 1HG GLN 62 1HG GLN 62 -4.317 16.972 -32.234 484 2HG GLN 62 2HG GLN 62 -4.088 17.356 -33.966 485 1HE2 GLN 62 2HE2 GLN 62 -2.449 15.882 -31.102 486 2HE2 GLN 62 1HE2 GLN 62 -1.528 14.707 -32.022 487 H THR 63 H THR 63 -4.022 19.658 -30.089 488 HA THR 63 HA THR 63 -6.663 18.446 -30.097 489 HB THR 63 HB THR 63 -4.838 17.933 -28.463 490 HG1 THR 63 HG1 THR 63 -6.377 17.682 -26.809 491 1HG2 THR 63 1HG2 THR 63 -4.409 20.422 -27.986 492 2HG2 THR 63 2HG2 THR 63 -5.888 20.378 -26.990 493 3HG2 THR 63 3HG2 THR 63 -4.491 19.411 -26.566 494 H LEU 64 H LEU 64 -5.369 21.699 -29.557 495 HA LEU 64 HA LEU 64 -7.925 22.939 -30.067 496 1HB LEU 64 1HB LEU 64 -8.553 22.108 -27.870 497 2HB LEU 64 2HB LEU 64 -7.011 22.621 -27.193 498 HG LEU 64 HG LEU 64 -7.726 25.016 -27.479 499 1HD1 LEU 64 1HD1 LEU 64 -10.380 23.741 -28.291 500 2HD1 LEU 64 2HD1 LEU 64 -10.126 25.455 -27.904 501 3HD1 LEU 64 3HD1 LEU 64 -9.351 24.753 -29.330 502 1HD2 LEU 64 1HD2 LEU 64 -9.562 23.170 -25.908 503 2HD2 LEU 64 2HD2 LEU 64 -7.981 23.781 -25.378 504 3HD2 LEU 64 3HD2 LEU 64 -9.329 24.910 -25.614 505 HA PRO 65 HA PRO 65 -4.260 25.731 -30.716 506 1HB PRO 65 1HB PRO 65 -5.603 27.824 -31.906 507 2HB PRO 65 2HB PRO 65 -4.950 26.377 -32.718 508 1HG PRO 65 1HG PRO 65 -7.772 26.837 -31.757 509 2HG PRO 65 2HG PRO 65 -7.238 26.203 -33.343 510 1HD PRO 65 1HD PRO 65 -8.066 24.554 -31.426 511 2HD PRO 65 2HD PRO 65 -6.612 24.096 -32.358 512 HA PRO 66 HA PRO 66 -5.609 27.764 -26.833 513 1HB PRO 66 1HB PRO 66 -2.857 27.896 -25.977 514 2HB PRO 66 2HB PRO 66 -4.198 26.949 -25.313 515 1HG PRO 66 1HG PRO 66 -2.040 25.822 -26.643 516 2HG PRO 66 2HG PRO 66 -3.682 25.116 -26.640 517 1HD PRO 66 1HD PRO 66 -2.444 26.913 -28.742 518 2HD PRO 66 2HD PRO 66 -3.260 25.345 -28.930 519 HA PRO 67 HA PRO 67 -4.409 31.945 -28.244 520 1HB PRO 67 1HB PRO 67 -6.025 33.436 -26.639 521 2HB PRO 67 2HB PRO 67 -6.658 32.526 -28.041 522 1HG PRO 67 1HG PRO 67 -6.710 31.698 -25.136 523 2HG PRO 67 2HG PRO 67 -8.039 31.630 -26.325 524 1HD PRO 67 1HD PRO 67 -6.472 29.466 -25.706 525 2HD PRO 67 2HD PRO 67 -7.148 29.700 -27.347 526 H VAL 68 H VAL 68 -4.677 30.653 -25.008 527 HA VAL 68 HA VAL 68 -3.100 32.384 -23.444 528 HB VAL 68 HB VAL 68 -3.662 29.373 -23.272 529 1HG1 VAL 68 1HG1 VAL 68 -2.036 31.078 -21.375 530 2HG1 VAL 68 2HG1 VAL 68 -2.722 29.478 -21.002 531 3HG1 VAL 68 3HG1 VAL 68 -1.510 29.622 -22.259 532 1HG2 VAL 68 1HG2 VAL 68 -5.550 30.978 -22.837 533 2HG2 VAL 68 2HG2 VAL 68 -5.076 30.079 -21.389 534 3HG2 VAL 68 3HG2 VAL 68 -4.557 31.762 -21.589 535 H PHE 69 H PHE 69 -2.241 29.547 -25.386 536 HA PHE 69 HA PHE 69 0.533 29.367 -24.885 537 1HB PHE 69 1HB PHE 69 -0.410 27.652 -26.158 538 2HB PHE 69 2HB PHE 69 -1.115 28.762 -27.322 539 HD1 PHE 69 HD1 PHE 69 2.226 27.586 -26.102 540 HD2 PHE 69 HD2 PHE 69 -0.094 29.199 -29.361 541 HE1 PHE 69 HE1 PHE 69 4.161 27.324 -27.615 542 HE2 PHE 69 HE2 PHE 69 1.848 28.923 -30.875 543 HZ PHE 69 HZ PHE 69 3.978 27.986 -30.009 544 H GLN 70 H GLN 70 -1.137 31.501 -27.153 545 HA GLN 70 HA GLN 70 1.241 32.692 -28.222 546 1HB GLN 70 1HB GLN 70 -1.008 32.854 -29.294 547 2HB GLN 70 2HB GLN 70 -1.492 34.016 -28.044 548 1HG GLN 70 1HG GLN 70 0.322 35.547 -28.762 549 2HG GLN 70 2HG GLN 70 0.847 34.357 -29.967 550 1HE2 GLN 70 2HE2 GLN 70 -2.145 36.110 -28.914 551 2HE2 GLN 70 1HE2 GLN 70 -2.722 36.407 -30.543 552 H MET 71 H MET 71 -0.689 33.438 -25.343 553 HA MET 71 HA MET 71 0.750 35.856 -24.762 554 1HB MET 71 1HB MET 71 -0.797 36.342 -23.334 555 2HB MET 71 2HB MET 71 -1.704 34.982 -23.991 556 1HG MET 71 1HG MET 71 -1.032 33.595 -22.096 557 2HG MET 71 2HG MET 71 0.142 34.811 -21.571 558 1HE MET 71 1HE MET 71 -3.715 34.133 -21.993 559 2HE MET 71 2HE MET 71 -4.379 35.587 -21.214 560 3HE MET 71 3HE MET 71 -3.528 35.730 -22.762 561 H LEU 72 H LEU 72 1.097 32.399 -24.002 562 HA LEU 72 HA LEU 72 3.058 32.722 -21.959 563 1HB LEU 72 1HB LEU 72 2.312 30.528 -21.921 564 2HB LEU 72 2HB LEU 72 1.957 30.537 -23.625 565 HG LEU 72 HG LEU 72 4.363 30.198 -24.114 566 1HD1 LEU 72 1HD1 LEU 72 5.288 30.980 -21.859 567 2HD1 LEU 72 2HD1 LEU 72 4.532 29.560 -21.118 568 3HD1 LEU 72 3HD1 LEU 72 5.824 29.351 -22.306 569 1HD2 LEU 72 1HD2 LEU 72 2.697 28.368 -24.048 570 2HD2 LEU 72 2HD2 LEU 72 4.290 27.807 -23.505 571 3HD2 LEU 72 3HD2 LEU 72 3.009 28.145 -22.319 572 H LEU 73 H LEU 73 3.098 32.571 -25.467 573 HA LEU 73 HA LEU 73 5.981 32.765 -25.640 574 1HB LEU 73 1HB LEU 73 3.996 33.763 -27.731 575 2HB LEU 73 2HB LEU 73 5.695 33.382 -27.981 576 HG LEU 73 HG LEU 73 3.431 31.393 -27.567 577 1HD1 LEU 73 1HD1 LEU 73 3.561 32.526 -29.669 578 2HD1 LEU 73 2HD1 LEU 73 5.265 32.039 -29.847 579 3HD1 LEU 73 3HD1 LEU 73 3.973 30.805 -29.817 580 1HD2 LEU 73 1HD2 LEU 73 6.419 30.860 -27.740 581 2HD2 LEU 73 2HD2 LEU 73 5.332 30.447 -26.389 582 3HD2 LEU 73 3HD2 LEU 73 5.148 29.646 -27.951 583 H THR 74 H THR 74 3.579 35.138 -25.173 584 HA THR 74 HA THR 74 5.463 37.313 -25.745 585 HB THR 74 HB THR 74 2.939 37.276 -26.366 586 HG1 THR 74 HG1 THR 74 4.496 38.847 -26.884 587 1HG2 THR 74 1HG2 THR 74 2.238 37.268 -23.920 588 2HG2 THR 74 2HG2 THR 74 2.991 38.864 -23.773 589 3HG2 THR 74 3HG2 THR 74 1.618 38.622 -24.885 590 H LYS 75 H LYS 75 4.321 35.474 -22.990 591 HA LYS 75 HA LYS 75 5.151 37.473 -21.016 592 1HB LYS 75 1HB LYS 75 4.138 34.638 -21.129 593 2HB LYS 75 2HB LYS 75 4.880 35.190 -19.629 594 1HG LYS 75 1HG LYS 75 2.744 36.914 -20.902 595 2HG LYS 75 2HG LYS 75 2.227 35.449 -20.095 596 1HD LYS 75 1HD LYS 75 4.035 37.451 -18.695 597 2HD LYS 75 2HD LYS 75 2.265 37.573 -18.690 598 1HE LYS 75 1HE LYS 75 2.085 35.307 -17.689 599 2HE LYS 75 2HE LYS 75 3.849 35.190 -17.600 600 1HZ LYS 75 1HZ LYS 75 2.243 37.249 -16.257 601 2HZ LYS 75 2HZ LYS 75 2.804 35.884 -15.557 602 3HZ LYS 75 3HZ LYS 75 3.870 37.015 -16.106 603 H LEU 76 H LEU 76 6.571 34.598 -22.550 604 HA LEU 76 HA LEU 76 8.818 34.295 -20.883 605 1HB LEU 76 1HB LEU 76 8.287 33.713 -23.813 606 2HB LEU 76 2HB LEU 76 9.840 33.314 -23.076 607 HG LEU 76 HG LEU 76 7.167 32.203 -22.048 608 1HD1 LEU 76 1HD1 LEU 76 9.028 31.123 -24.176 609 2HD1 LEU 76 2HD1 LEU 76 7.739 30.197 -23.371 610 3HD1 LEU 76 3HD1 LEU 76 7.331 31.607 -24.351 611 1HD2 LEU 76 1HD2 LEU 76 10.049 31.245 -21.761 612 2HD2 LEU 76 2HD2 LEU 76 9.112 32.051 -20.483 613 3HD2 LEU 76 3HD2 LEU 76 8.600 30.467 -21.088 614 HA PRO 77 HA PRO 77 11.523 37.301 -23.254 615 1HB PRO 77 1HB PRO 77 10.629 38.886 -25.274 616 2HB PRO 77 2HB PRO 77 10.998 37.159 -25.541 617 1HG PRO 77 1HG PRO 77 8.277 38.365 -24.917 618 2HG PRO 77 2HG PRO 77 8.704 37.314 -26.302 619 1HD PRO 77 1HD PRO 77 7.654 36.271 -24.023 620 2HD PRO 77 2HD PRO 77 8.981 35.423 -24.881 621 H THR 78 H THR 78 11.784 39.752 -23.347 622 HA THR 78 HA THR 78 9.774 41.343 -21.901 623 HB THR 78 HB THR 78 12.544 40.567 -20.910 624 HG1 THR 78 HG1 THR 78 10.305 39.590 -20.380 625 1HG2 THR 78 1HG2 THR 78 10.825 42.915 -20.048 626 2HG2 THR 78 2HG2 THR 78 12.210 42.261 -19.133 627 3HG2 THR 78 3HG2 THR 78 12.473 42.987 -20.732 628 H ILE 79 H ILE 79 12.985 41.158 -23.501 629 HA ILE 79 HA ILE 79 13.234 43.916 -24.035 630 HB ILE 79 HB ILE 79 14.345 41.525 -25.602 631 1HG1 ILE 79 1HG1 ILE 79 16.515 42.211 -24.514 632 2HG1 ILE 79 2HG1 ILE 79 15.601 43.236 -23.405 633 1HG2 ILE 79 1HG2 ILE 79 15.051 44.478 -25.741 634 2HG2 ILE 79 2HG2 ILE 79 15.996 43.175 -26.489 635 3HG2 ILE 79 3HG2 ILE 79 14.353 43.477 -27.037 636 1HD1 ILE 79 1HD1 ILE 79 15.101 40.239 -23.731 637 2HD1 ILE 79 2HD1 ILE 79 16.314 40.899 -22.621 638 3HD1 ILE 79 3HD1 ILE 79 14.612 41.285 -22.369 639 H SER 80 H SER 80 11.869 41.283 -25.900 640 HA SER 80 HA SER 80 11.113 42.658 -28.225 641 1HB SER 80 1HB SER 80 10.976 40.170 -27.874 642 2HB SER 80 2HB SER 80 9.500 40.418 -26.918 643 HG SER 80 HG SER 80 8.624 41.449 -28.815 644 H GLN 81 H GLN 81 9.250 42.239 -25.184 645 HA GLN 81 HA GLN 81 6.968 43.664 -25.957 646 1HB GLN 81 1HB GLN 81 7.164 42.250 -23.918 647 2HB GLN 81 2HB GLN 81 8.191 43.495 -23.178 648 1HG GLN 81 1HG GLN 81 6.316 45.135 -23.375 649 2HG GLN 81 2HG GLN 81 5.303 43.863 -24.080 650 1HE2 GLN 81 2HE2 GLN 81 4.137 44.929 -21.999 651 2HE2 GLN 81 1HE2 GLN 81 4.345 43.980 -20.540 652 H ARG 82 H ARG 82 10.031 44.756 -24.587 653 HA ARG 82 HA ARG 82 9.244 47.463 -24.217 654 1HB ARG 82 1HB ARG 82 11.304 46.235 -23.249 655 2HB ARG 82 2HB ARG 82 12.121 46.752 -24.747 656 1HG ARG 82 1HG ARG 82 11.372 49.112 -24.210 657 2HG ARG 82 2HG ARG 82 10.738 48.500 -22.672 658 1HD ARG 82 1HD ARG 82 13.039 47.622 -22.132 659 2HD ARG 82 2HD ARG 82 13.658 48.419 -23.579 660 HE ARG 82 HE ARG 82 13.005 49.584 -21.015 661 1HH1 ARG 82 1HH1 ARG 82 13.111 50.364 -24.470 662 2HH1 ARG 82 2HH1 ARG 82 13.252 52.082 -24.218 663 1HH2 ARG 82 1HH2 ARG 82 13.170 51.836 -20.681 664 2HH2 ARG 82 2HH2 ARG 82 13.292 52.926 -22.031 665 H ILE 83 H ILE 83 10.765 45.862 -27.110 666 HA ILE 83 HA ILE 83 11.260 48.296 -28.474 667 HB ILE 83 HB ILE 83 10.427 45.693 -29.871 668 1HG1 ILE 83 1HG1 ILE 83 11.888 44.837 -28.506 669 2HG1 ILE 83 2HG1 ILE 83 12.738 45.111 -30.039 670 1HG2 ILE 83 1HG2 ILE 83 10.665 47.680 -31.350 671 2HG2 ILE 83 2HG2 ILE 83 12.334 47.888 -30.782 672 3HG2 ILE 83 3HG2 ILE 83 11.866 46.438 -31.687 673 1HD1 ILE 83 1HD1 ILE 83 13.845 47.099 -28.995 674 2HD1 ILE 83 2HD1 ILE 83 13.088 46.652 -27.438 675 3HD1 ILE 83 3HD1 ILE 83 14.237 45.551 -28.211 676 H VAL 84 H VAL 84 8.539 46.034 -28.554 677 HA VAL 84 HA VAL 84 6.880 47.547 -30.311 678 HB VAL 84 HB VAL 84 6.032 45.649 -28.072 679 1HG1 VAL 84 1HG1 VAL 84 4.469 46.696 -30.468 680 2HG1 VAL 84 2HG1 VAL 84 3.936 45.379 -29.404 681 3HG1 VAL 84 3HG1 VAL 84 4.120 47.011 -28.754 682 1HG2 VAL 84 1HG2 VAL 84 7.489 44.531 -29.766 683 2HG2 VAL 84 2HG2 VAL 84 5.825 43.948 -29.853 684 3HG2 VAL 84 3HG2 VAL 84 6.418 45.109 -31.054 685 H SER 85 H SER 85 7.151 47.641 -26.809 686 HA SER 85 HA SER 85 5.313 49.862 -26.569 687 1HB SER 85 1HB SER 85 7.204 48.719 -24.482 688 2HB SER 85 2HB SER 85 5.792 49.751 -24.192 689 HG SER 85 HG SER 85 5.838 47.108 -25.222 690 H ALA 86 H ALA 86 7.412 50.390 -28.354 691 HA ALA 86 HA ALA 86 8.305 52.970 -27.552 692 1HB ALA 86 1HB ALA 86 10.001 51.623 -26.282 693 2HB ALA 86 2HB ALA 86 10.467 50.825 -27.800 694 3HB ALA 86 3HB ALA 86 10.724 52.567 -27.585 695 H GLN 87 H GLN 87 6.743 51.811 -29.619 696 HA GLN 87 HA GLN 87 8.284 51.487 -32.030 697 1HB GLN 87 1HB GLN 87 6.102 50.355 -31.620 698 2HB GLN 87 2HB GLN 87 5.298 51.920 -31.729 699 1HG GLN 87 1HG GLN 87 6.868 51.795 -34.080 700 2HG GLN 87 2HG GLN 87 6.360 50.128 -33.832 701 1HE2 GLN 87 2HE2 GLN 87 5.019 53.470 -33.663 702 2HE2 GLN 87 1HE2 GLN 87 3.503 53.092 -34.475 703 H SER 88 H SER 88 9.406 53.614 -31.406 704 HA SER 88 HA SER 88 9.178 55.622 -33.274 705 1HB SER 88 1HB SER 88 7.574 56.259 -30.761 706 2HB SER 88 2HB SER 88 8.459 57.527 -31.622 707 HG SER 88 HG SER 88 6.521 55.854 -32.806 708 H LEU 89 H LEU 89 9.789 54.872 -29.846 709 HA LEU 89 HA LEU 89 12.428 56.276 -29.936 710 1HB LEU 89 1HB LEU 89 10.605 55.571 -27.596 711 2HB LEU 89 2HB LEU 89 12.124 56.469 -27.479 712 HG LEU 89 HG LEU 89 9.614 57.447 -28.928 713 1HD1 LEU 89 1HD1 LEU 89 9.281 57.254 -26.499 714 2HD1 LEU 89 2HD1 LEU 89 10.756 58.201 -26.210 715 3HD1 LEU 89 3HD1 LEU 89 9.356 58.951 -27.004 716 1HD2 LEU 89 1HD2 LEU 89 12.202 58.903 -28.210 717 2HD2 LEU 89 2HD2 LEU 89 11.661 58.489 -29.854 718 3HD2 LEU 89 3HD2 LEU 89 10.744 59.652 -28.889 719 H GLY 90 H GLY 90 12.234 53.815 -31.110 720 1HA GLY 90 1HA GLY 90 13.756 52.058 -29.208 721 2HA GLY 90 2HA GLY 90 12.477 51.420 -30.248 722 H GLU 91 H GLU 91 12.744 51.796 -32.607 723 HA GLU 91 HA GLU 91 15.441 51.077 -33.400 724 1HB GLU 91 1HB GLU 91 13.356 50.020 -34.317 725 2HB GLU 91 2HB GLU 91 13.020 51.519 -35.203 726 1HG GLU 91 1HG GLU 91 15.088 51.231 -36.491 727 2HG GLU 91 2HG GLU 91 15.550 49.838 -35.491 728 H ASP 92 H ASP 92 16.758 52.327 -34.979 729 HA ASP 92 HA ASP 92 16.484 55.220 -34.648 730 1HB ASP 92 1HB ASP 92 18.660 54.236 -34.298 731 2HB ASP 92 2HB ASP 92 18.643 53.493 -35.908 732 H ASP 93 H ASP 93 15.238 56.396 -36.265 733 HA ASP 93 HA ASP 93 14.596 55.094 -38.770 734 1HB ASP 93 1HB ASP 93 13.214 57.065 -39.142 735 2HB ASP 93 2HB ASP 93 12.956 56.427 -37.514 736 H VAL 94 H VAL 94 14.755 56.534 -40.822 737 HA VAL 94 HA VAL 94 17.318 58.022 -41.012 738 HB VAL 94 HB VAL 94 16.460 55.695 -42.793 739 1HG1 VAL 94 1HG1 VAL 94 18.856 57.573 -42.994 740 2HG1 VAL 94 2HG1 VAL 94 18.618 56.104 -43.963 741 3HG1 VAL 94 3HG1 VAL 94 17.506 57.461 -44.148 742 1HG2 VAL 94 1HG2 VAL 94 18.838 56.002 -40.908 743 2HG2 VAL 94 2HG2 VAL 94 17.478 54.874 -40.715 744 3HG2 VAL 94 3HG2 VAL 94 18.603 54.670 -42.059 745 H GLU 95 H GLU 95 16.895 59.904 -41.918 746 HA GLU 95 HA GLU 95 15.871 61.620 -42.943 747 1HB GLU 95 1HB GLU 95 15.544 59.512 -45.108 748 2HB GLU 95 2HB GLU 95 15.376 61.258 -45.343 749 1HG GLU 95 1HG GLU 95 17.703 61.628 -44.638 750 2HG GLU 95 2HG GLU 95 17.920 59.899 -44.332 751 1H GLY 1 1H GLY 1 -10.834 24.773 -21.776 752 2H GLY 1 2H GLY 1 -9.614 23.703 -22.032 753 3H GLY 1 3H GLY 1 -9.958 24.832 -23.192 754 1HA GLY 1 1HA GLY 1 -12.042 23.771 -23.654 755 2HA GLY 1 2HA GLY 1 -10.705 22.602 -23.716 756 HA PRO 2 HA PRO 2 -13.968 21.050 -20.739 757 1HB PRO 2 1HB PRO 2 -14.014 18.421 -21.538 758 2HB PRO 2 2HB PRO 2 -14.966 19.721 -22.304 759 1HG PRO 2 1HG PRO 2 -12.355 18.549 -23.262 760 2HG PRO 2 2HG PRO 2 -13.799 18.968 -24.219 761 1HD PRO 2 1HD PRO 2 -11.606 20.594 -24.032 762 2HD PRO 2 2HD PRO 2 -13.259 21.250 -24.222 763 H ARG 3 H ARG 3 -11.127 19.016 -21.736 764 HA ARG 3 HA ARG 3 -9.862 19.455 -19.244 765 1HB ARG 3 1HB ARG 3 -11.593 17.727 -18.601 766 2HB ARG 3 2HB ARG 3 -10.676 16.552 -19.559 767 1HG ARG 3 1HG ARG 3 -8.701 16.867 -18.157 768 2HG ARG 3 2HG ARG 3 -9.358 18.351 -17.479 769 1HD ARG 3 1HD ARG 3 -11.277 16.793 -16.534 770 2HD ARG 3 2HD ARG 3 -10.093 15.517 -16.808 771 HE ARG 3 HE ARG 3 -8.805 16.324 -15.068 772 1HH1 ARG 3 1HH1 ARG 3 -11.088 18.877 -16.036 773 2HH1 ARG 3 2HH1 ARG 3 -10.774 19.872 -14.636 774 1HH2 ARG 3 1HH2 ARG 3 -8.436 17.660 -13.191 775 2HH2 ARG 3 2HH2 ARG 3 -9.270 19.191 -13.031 776 H LEU 4 H LEU 4 -7.853 19.687 -19.861 777 HA LEU 4 HA LEU 4 -6.775 18.846 -22.351 778 1HB LEU 4 1HB LEU 4 -6.224 20.848 -20.724 779 2HB LEU 4 2HB LEU 4 -5.098 19.755 -19.987 780 HG LEU 4 HG LEU 4 -3.800 20.952 -21.473 781 1HD1 LEU 4 1HD1 LEU 4 -3.554 18.488 -22.115 782 2HD1 LEU 4 2HD1 LEU 4 -4.673 18.804 -23.446 783 3HD1 LEU 4 3HD1 LEU 4 -3.117 19.657 -23.363 784 1HD2 LEU 4 1HD2 LEU 4 -5.553 22.283 -22.423 785 2HD2 LEU 4 2HD2 LEU 4 -4.440 21.721 -23.676 786 3HD2 LEU 4 3HD2 LEU 4 -6.033 20.948 -23.504 787 H SER 5 H SER 5 -7.332 16.493 -22.045 788 HA SER 5 HA SER 5 -4.929 15.022 -21.377 789 1HB SER 5 1HB SER 5 -5.874 13.518 -19.722 790 2HB SER 5 2HB SER 5 -5.706 15.175 -19.141 791 HG SER 5 HG SER 5 -7.964 15.468 -19.703 792 H ARG 6 H ARG 6 -7.814 15.279 -23.147 793 HA ARG 6 HA ARG 6 -8.361 12.592 -23.809 794 1HB ARG 6 1HB ARG 6 -8.389 15.112 -25.550 795 2HB ARG 6 2HB ARG 6 -9.082 13.563 -26.029 796 1HG ARG 6 1HG ARG 6 -9.996 15.265 -23.661 797 2HG ARG 6 2HG ARG 6 -10.788 15.116 -25.232 798 1HD ARG 6 1HD ARG 6 -10.923 12.560 -24.744 799 2HD ARG 6 2HD ARG 6 -10.470 12.978 -23.092 800 HE ARG 6 HE ARG 6 -12.541 13.816 -22.676 801 1HH1 ARG 6 1HH1 ARG 6 -12.201 13.429 -26.181 802 2HH1 ARG 6 2HH1 ARG 6 -13.893 13.685 -26.515 803 1HH2 ARG 6 1HH2 ARG 6 -14.760 14.179 -23.114 804 2HH2 ARG 6 2HH2 ARG 6 -15.362 14.135 -24.747 805 H LEU 7 H LEU 7 -6.005 14.900 -25.215 806 HA LEU 7 HA LEU 7 -4.788 13.028 -27.013 807 1HB LEU 7 1HB LEU 7 -2.984 14.566 -27.208 808 2HB LEU 7 2HB LEU 7 -4.516 15.433 -27.300 809 HG LEU 7 HG LEU 7 -4.019 15.639 -24.631 810 1HD1 LEU 7 1HD1 LEU 7 -1.709 14.545 -24.994 811 2HD1 LEU 7 2HD1 LEU 7 -1.379 15.783 -26.128 812 3HD1 LEU 7 3HD1 LEU 7 -1.500 16.238 -24.454 813 1HD2 LEU 7 1HD2 LEU 7 -3.122 17.564 -26.731 814 2HD2 LEU 7 2HD2 LEU 7 -4.593 17.535 -25.692 815 3HD2 LEU 7 3HD2 LEU 7 -3.006 17.879 -24.992 816 H LEU 8 H LEU 8 -3.895 13.982 -23.621 817 HA LEU 8 HA LEU 8 -1.552 12.463 -23.595 818 1HB LEU 8 1HB LEU 8 -3.220 13.299 -21.281 819 2HB LEU 8 2HB LEU 8 -1.641 12.514 -21.165 820 HG LEU 8 HG LEU 8 -1.154 14.723 -20.783 821 1HD1 LEU 8 1HD1 LEU 8 -0.266 14.282 -23.619 822 2HD1 LEU 8 2HD1 LEU 8 0.240 15.589 -22.577 823 3HD1 LEU 8 3HD1 LEU 8 0.553 13.911 -22.123 824 1HD2 LEU 8 1HD2 LEU 8 -3.136 15.496 -22.834 825 2HD2 LEU 8 2HD2 LEU 8 -2.970 15.971 -21.173 826 3HD2 LEU 8 3HD2 LEU 8 -1.872 16.615 -22.384 827 H SER 9 H SER 9 -4.740 11.185 -23.607 828 HA SER 9 HA SER 9 -4.159 8.723 -22.230 829 1HB SER 9 1HB SER 9 -6.459 9.599 -22.749 830 2HB SER 9 2HB SER 9 -6.166 9.235 -24.464 831 HG SER 9 HG SER 9 -5.661 7.037 -23.654 832 H TYR 10 H TYR 10 -2.953 10.025 -25.149 833 HA TYR 10 HA TYR 10 -2.640 7.674 -26.754 834 1HB TYR 10 1HB TYR 10 -1.421 9.126 -28.184 835 2HB TYR 10 2HB TYR 10 -2.808 10.020 -27.592 836 HD1 TYR 10 HD1 TYR 10 -0.781 10.417 -24.766 837 HD2 TYR 10 HD2 TYR 10 -0.784 11.507 -28.963 838 HE1 TYR 10 HE1 TYR 10 0.679 12.225 -24.271 839 HE2 TYR 10 HE2 TYR 10 0.705 13.342 -28.440 840 HH TYR 10 HH TYR 10 1.920 14.469 -26.796 841 H ALA 11 H ALA 11 -1.113 8.375 -23.825 842 HA ALA 11 HA ALA 11 1.197 6.695 -24.422 843 1HB ALA 11 1HB ALA 11 1.887 9.010 -25.165 844 2HB ALA 11 2HB ALA 11 1.452 9.626 -23.564 845 3HB ALA 11 3HB ALA 11 2.797 8.479 -23.741 Start of MODEL 4 1 1H ARG 1 1H ARG 1 4.270 1.579 2.661 2 2H ARG 1 2H ARG 1 3.031 1.337 1.606 3 3H ARG 1 3H ARG 1 3.435 0.161 2.687 4 HA ARG 1 HA ARG 1 5.524 -0.181 1.720 5 1HB ARG 1 1HB ARG 1 4.904 -1.232 -0.350 6 2HB ARG 1 2HB ARG 1 3.677 -1.526 0.886 7 1HG ARG 1 1HG ARG 1 2.239 0.250 -0.156 8 2HG ARG 1 2HG ARG 1 3.468 0.463 -1.424 9 1HD ARG 1 1HD ARG 1 3.193 -1.930 -2.080 10 2HD ARG 1 2HD ARG 1 2.000 -2.129 -0.800 11 HE ARG 1 HE ARG 1 0.394 -1.116 -2.044 12 1HH1 ARG 1 1HH1 ARG 1 3.516 -0.460 -3.592 13 2HH1 ARG 1 2HH1 ARG 1 2.809 0.209 -5.036 14 1HH2 ARG 1 1HH2 ARG 1 -0.535 -0.252 -3.943 15 2HH2 ARG 1 2HH2 ARG 1 0.474 0.328 -5.235 16 H ALA 2 H ALA 2 3.755 2.503 0.106 17 HA ALA 2 HA ALA 2 6.273 3.781 -0.575 18 1HB ALA 2 1HB ALA 2 5.917 2.257 -2.518 19 2HB ALA 2 2HB ALA 2 4.284 2.921 -2.734 20 3HB ALA 2 3HB ALA 2 5.710 3.950 -2.985 21 H GLY 3 H GLY 3 5.579 5.905 -1.845 22 1HA GLY 3 1HA GLY 3 2.968 6.988 -0.998 23 2HA GLY 3 2HA GLY 3 4.448 7.761 -0.378 24 H LEU 4 H LEU 4 2.735 9.257 -1.990 25 HA LEU 4 HA LEU 4 4.467 9.897 -4.203 26 1HB LEU 4 1HB LEU 4 3.302 8.188 -5.331 27 2HB LEU 4 2HB LEU 4 1.757 8.576 -4.594 28 HG LEU 4 HG LEU 4 2.958 10.526 -6.630 29 1HD1 LEU 4 1HD1 LEU 4 1.360 8.024 -7.234 30 2HD1 LEU 4 2HD1 LEU 4 1.821 9.317 -8.368 31 3HD1 LEU 4 3HD1 LEU 4 3.070 8.296 -7.643 32 1HD2 LEU 4 1HD2 LEU 4 0.110 9.707 -5.899 33 2HD2 LEU 4 2HD2 LEU 4 0.889 11.184 -5.316 34 3HD2 LEU 4 3HD2 LEU 4 0.599 10.976 -7.042 35 H SER 5 H SER 5 3.893 11.899 -5.219 36 HA SER 5 HA SER 5 1.795 13.560 -4.540 37 1HB SER 5 1HB SER 5 2.990 13.685 -2.298 38 2HB SER 5 2HB SER 5 4.439 14.258 -3.152 39 HG SER 5 HG SER 5 3.134 15.948 -2.288 40 H LYS 6 H LYS 6 3.000 16.009 -5.070 41 HA LYS 6 HA LYS 6 3.638 15.771 -7.883 42 1HB LYS 6 1HB LYS 6 3.938 18.082 -5.883 43 2HB LYS 6 2HB LYS 6 4.110 18.269 -7.624 44 1HG LYS 6 1HG LYS 6 1.710 17.843 -7.955 45 2HG LYS 6 2HG LYS 6 1.497 17.458 -6.233 46 1HD LYS 6 1HD LYS 6 2.053 19.692 -5.568 47 2HD LYS 6 2HD LYS 6 2.606 20.119 -7.193 48 1HE LYS 6 1HE LYS 6 0.377 21.068 -6.636 49 2HE LYS 6 2HE LYS 6 0.375 20.057 -8.091 50 1HZ LYS 6 1HZ LYS 6 -0.456 19.044 -5.458 51 2HZ LYS 6 2HZ LYS 6 -1.491 19.671 -6.582 52 3HZ LYS 6 3HZ LYS 6 -0.625 18.336 -6.950 53 H LEU 7 H LEU 7 5.743 15.439 -8.793 54 HA LEU 7 HA LEU 7 7.927 14.949 -8.844 55 1HB LEU 7 1HB LEU 7 8.159 17.488 -7.188 56 2HB LEU 7 2HB LEU 7 9.413 16.782 -8.211 57 HG LEU 7 HG LEU 7 6.748 17.908 -9.189 58 1HD1 LEU 7 1HD1 LEU 7 8.247 19.641 -8.298 59 2HD1 LEU 7 2HD1 LEU 7 9.558 19.060 -9.347 60 3HD1 LEU 7 3HD1 LEU 7 8.091 19.766 -10.059 61 1HD2 LEU 7 1HD2 LEU 7 9.187 16.925 -10.747 62 2HD2 LEU 7 2HD2 LEU 7 7.569 16.184 -10.765 63 3HD2 LEU 7 3HD2 LEU 7 7.817 17.794 -11.438 64 HA PRO 8 HA PRO 8 8.235 13.065 -4.670 65 1HB PRO 8 1HB PRO 8 7.897 10.443 -5.291 66 2HB PRO 8 2HB PRO 8 6.541 11.587 -5.183 67 1HG PRO 8 1HG PRO 8 7.902 10.646 -7.719 68 2HG PRO 8 2HG PRO 8 6.162 10.777 -7.368 69 1HD PRO 8 1HD PRO 8 7.660 12.717 -8.689 70 2HD PRO 8 2HD PRO 8 6.172 13.068 -7.784 71 H ASP 9 H ASP 9 9.520 10.447 -6.599 72 HA ASP 9 HA ASP 9 12.235 11.100 -5.732 73 1HB ASP 9 1HB ASP 9 11.248 8.770 -5.693 74 2HB ASP 9 2HB ASP 9 11.360 8.759 -7.463 75 H LEU 10 H LEU 10 10.296 11.576 -8.574 76 HA LEU 10 HA LEU 10 10.522 12.494 -10.492 77 1HB LEU 10 1HB LEU 10 12.584 13.741 -8.792 78 2HB LEU 10 2HB LEU 10 13.226 13.609 -10.412 79 HG LEU 10 HG LEU 10 10.680 15.158 -9.593 80 1HD1 LEU 10 1HD1 LEU 10 13.474 15.976 -10.324 81 2HD1 LEU 10 2HD1 LEU 10 12.071 17.047 -10.022 82 3HD1 LEU 10 3HD1 LEU 10 12.712 16.031 -8.713 83 1HD2 LEU 10 1HD2 LEU 10 12.186 14.773 -12.252 84 2HD2 LEU 10 2HD2 LEU 10 10.501 14.320 -11.930 85 3HD2 LEU 10 3HD2 LEU 10 10.963 16.028 -11.972 86 H LYS 11 H LYS 11 12.980 10.292 -9.691 87 HA LYS 11 HA LYS 11 14.211 10.042 -12.258 88 1HB LYS 11 1HB LYS 11 13.735 7.989 -10.060 89 2HB LYS 11 2HB LYS 11 14.866 7.755 -11.391 90 1HG LYS 11 1HG LYS 11 15.146 10.058 -9.409 91 2HG LYS 11 2HG LYS 11 15.794 8.451 -9.096 92 1HD LYS 11 1HD LYS 11 17.295 8.532 -10.950 93 2HD LYS 11 2HD LYS 11 16.573 10.036 -11.570 94 1HE LYS 11 1HE LYS 11 17.288 11.252 -9.559 95 2HE LYS 11 2HE LYS 11 17.924 9.760 -8.844 96 1HZ LYS 11 1HZ LYS 11 18.923 11.023 -11.306 97 2HZ LYS 11 2HZ LYS 11 19.638 11.095 -9.824 98 3HZ LYS 11 3HZ LYS 11 19.519 9.652 -10.608 99 H ASP 12 H ASP 12 11.187 8.704 -10.951 100 HA ASP 12 HA ASP 12 10.944 6.715 -13.042 101 1HB ASP 12 1HB ASP 12 8.851 7.798 -11.148 102 2HB ASP 12 2HB ASP 12 8.715 6.345 -12.158 103 H ALA 13 H ALA 13 9.850 6.747 -14.830 104 HA ALA 13 HA ALA 13 9.144 9.209 -16.165 105 1HB ALA 13 1HB ALA 13 10.173 7.329 -17.365 106 2HB ALA 13 2HB ALA 13 8.758 6.311 -17.013 107 3HB ALA 13 3HB ALA 13 8.591 7.742 -18.058 108 H GLU 14 H GLU 14 7.447 6.530 -14.730 109 HA GLU 14 HA GLU 14 4.786 7.176 -15.529 110 1HB GLU 14 1HB GLU 14 5.608 5.009 -14.507 111 2HB GLU 14 2HB GLU 14 5.574 5.772 -12.918 112 1HG GLU 14 1HG GLU 14 3.150 5.615 -14.766 113 2HG GLU 14 2HG GLU 14 3.606 4.309 -13.670 114 H ALA 15 H ALA 15 6.700 8.071 -12.685 115 HA ALA 15 HA ALA 15 4.686 9.627 -11.358 116 1HB ALA 15 1HB ALA 15 6.676 8.725 -10.182 117 2HB ALA 15 2HB ALA 15 7.718 9.836 -11.109 118 3HB ALA 15 3HB ALA 15 6.515 10.482 -9.984 119 H VAL 16 H VAL 16 7.231 10.372 -13.659 120 HA VAL 16 HA VAL 16 6.886 13.265 -13.522 121 HB VAL 16 HB VAL 16 8.618 11.440 -15.026 122 1HG1 VAL 16 1HG1 VAL 16 7.839 13.965 -16.432 123 2HG1 VAL 16 2HG1 VAL 16 9.217 12.901 -16.810 124 3HG1 VAL 16 3HG1 VAL 16 7.576 12.289 -17.004 125 1HG2 VAL 16 1HG2 VAL 16 9.369 12.644 -13.163 126 2HG2 VAL 16 2HG2 VAL 16 10.282 12.992 -14.644 127 3HG2 VAL 16 3HG2 VAL 16 9.089 14.181 -14.044 128 H GLN 17 H GLN 17 5.553 10.606 -15.468 129 HA GLN 17 HA GLN 17 4.141 12.384 -17.244 130 1HB GLN 17 1HB GLN 17 4.563 10.048 -17.913 131 2HB GLN 17 2HB GLN 17 3.530 9.478 -16.590 132 1HG GLN 17 1HG GLN 17 2.317 9.320 -18.630 133 2HG GLN 17 2HG GLN 17 1.575 10.574 -17.646 134 1HE2 GLN 17 2HE2 GLN 17 0.747 10.708 -20.137 135 2HE2 GLN 17 1HE2 GLN 17 1.575 11.948 -21.052 136 H LYS 18 H LYS 18 3.345 10.761 -14.182 137 HA LYS 18 HA LYS 18 0.593 11.574 -14.113 138 1HB LYS 18 1HB LYS 18 2.513 10.948 -11.839 139 2HB LYS 18 2HB LYS 18 0.766 11.137 -11.659 140 1HG LYS 18 1HG LYS 18 1.396 9.231 -13.814 141 2HG LYS 18 2HG LYS 18 2.200 8.786 -12.318 142 1HD LYS 18 1HD LYS 18 -0.760 9.464 -12.399 143 2HD LYS 18 2HD LYS 18 -0.166 7.851 -12.812 144 1HE LYS 18 1HE LYS 18 0.363 9.234 -10.148 145 2HE LYS 18 2HE LYS 18 -0.879 8.009 -10.448 146 1HZ LYS 18 1HZ LYS 18 0.909 6.512 -11.155 147 2HZ LYS 18 2HZ LYS 18 2.032 7.564 -10.702 148 3HZ LYS 18 3HZ LYS 18 1.026 6.935 -9.555 149 H PHE 19 H PHE 19 3.451 13.090 -12.563 150 HA PHE 19 HA PHE 19 2.001 15.374 -11.619 151 1HB PHE 19 1HB PHE 19 4.070 15.063 -10.559 152 2HB PHE 19 2HB PHE 19 4.922 14.757 -12.072 153 HD1 PHE 19 HD1 PHE 19 5.537 16.530 -13.612 154 HD2 PHE 19 HD2 PHE 19 3.736 17.447 -9.811 155 HE1 PHE 19 HE1 PHE 19 6.213 18.931 -13.828 156 HE2 PHE 19 HE2 PHE 19 4.454 19.815 -10.051 157 HZ PHE 19 HZ PHE 19 5.734 20.512 -12.175 158 H PHE 20 H PHE 20 3.816 14.815 -14.666 159 HA PHE 20 HA PHE 20 3.696 17.440 -15.669 160 1HB PHE 20 1HB PHE 20 5.083 15.875 -16.741 161 2HB PHE 20 2HB PHE 20 3.748 14.752 -17.038 162 HD1 PHE 20 HD1 PHE 20 4.621 18.319 -17.878 163 HD2 PHE 20 HD2 PHE 20 3.172 14.489 -19.235 164 HE1 PHE 20 HE1 PHE 20 4.466 19.186 -20.202 165 HE2 PHE 20 HE2 PHE 20 3.022 15.363 -21.544 166 HZ PHE 20 HZ PHE 20 3.680 17.700 -22.026 167 H LEU 21 H LEU 21 1.388 14.678 -16.084 168 HA LEU 21 HA LEU 21 -0.580 16.232 -17.452 169 1HB LEU 21 1HB LEU 21 -0.356 13.503 -16.207 170 2HB LEU 21 2HB LEU 21 -1.958 14.162 -16.092 171 HG LEU 21 HG LEU 21 -0.595 13.945 -18.835 172 1HD1 LEU 21 1HD1 LEU 21 -2.295 11.946 -17.285 173 2HD1 LEU 21 2HD1 LEU 21 -1.879 11.821 -19.004 174 3HD1 LEU 21 3HD1 LEU 21 -0.606 11.745 -17.780 175 1HD2 LEU 21 1HD2 LEU 21 -3.426 14.377 -17.828 176 2HD2 LEU 21 2HD2 LEU 21 -2.408 15.511 -18.742 177 3HD2 LEU 21 3HD2 LEU 21 -2.996 14.036 -19.498 178 H GLU 22 H GLU 22 -0.054 15.611 -14.000 179 HA GLU 22 HA GLU 22 -2.503 16.799 -13.175 180 1HB GLU 22 1HB GLU 22 -0.964 15.506 -11.678 181 2HB GLU 22 2HB GLU 22 0.141 16.894 -11.651 182 1HG GLU 22 1HG GLU 22 -1.565 18.302 -10.630 183 2HG GLU 22 2HG GLU 22 -2.771 17.013 -10.772 184 H GLU 23 H GLU 23 0.531 18.210 -14.389 185 HA GLU 23 HA GLU 23 -0.112 20.881 -13.490 186 1HB GLU 23 1HB GLU 23 2.201 19.872 -13.774 187 2HB GLU 23 2HB GLU 23 2.051 20.171 -15.510 188 1HG GLU 23 1HG GLU 23 2.021 22.493 -15.194 189 2HG GLU 23 2HG GLU 23 1.467 22.392 -13.510 190 H ILE 24 H ILE 24 0.067 19.181 -16.630 191 HA ILE 24 HA ILE 24 -1.005 20.927 -18.517 192 HB ILE 24 HB ILE 24 -1.442 17.983 -18.065 193 1HG1 ILE 24 1HG1 ILE 24 0.600 19.441 -19.620 194 2HG1 ILE 24 2HG1 ILE 24 0.620 17.822 -18.938 195 1HG2 ILE 24 1HG2 ILE 24 -3.463 18.689 -19.246 196 2HG2 ILE 24 2HG2 ILE 24 -2.403 19.022 -20.641 197 3HG2 ILE 24 3HG2 ILE 24 -2.489 17.430 -19.902 198 1HD1 ILE 24 1HD1 ILE 24 -0.689 16.983 -20.894 199 2HD1 ILE 24 2HD1 ILE 24 -0.563 18.580 -21.658 200 3HD1 ILE 24 3HD1 ILE 24 0.862 17.617 -21.302 201 H GLN 25 H GLN 25 -2.900 18.842 -16.294 202 HA GLN 25 HA GLN 25 -5.410 20.156 -16.985 203 1HB GLN 25 1HB GLN 25 -4.757 18.175 -14.747 204 2HB GLN 25 2HB GLN 25 -6.372 18.613 -15.316 205 1HG GLN 25 1HG GLN 25 -5.855 17.544 -17.540 206 2HG GLN 25 2HG GLN 25 -4.271 17.067 -16.938 207 1HE2 GLN 25 2HE2 GLN 25 -7.781 16.739 -16.256 208 2HE2 GLN 25 1HE2 GLN 25 -7.642 15.127 -15.583 209 H LEU 26 H LEU 26 -3.357 20.331 -14.127 210 HA LEU 26 HA LEU 26 -5.074 21.942 -12.516 211 1HB LEU 26 1HB LEU 26 -3.173 20.953 -11.539 212 2HB LEU 26 2HB LEU 26 -2.057 21.759 -12.674 213 HG LEU 26 HG LEU 26 -1.790 22.538 -10.481 214 1HD1 LEU 26 1HD1 LEU 26 -1.565 24.178 -12.405 215 2HD1 LEU 26 2HD1 LEU 26 -3.129 24.862 -11.875 216 3HD1 LEU 26 3HD1 LEU 26 -1.757 24.842 -10.770 217 1HD2 LEU 26 1HD2 LEU 26 -3.998 22.033 -9.648 218 2HD2 LEU 26 2HD2 LEU 26 -3.504 23.706 -9.259 219 3HD2 LEU 26 3HD2 LEU 26 -4.679 23.404 -10.575 220 H GLY 27 H GLY 27 -2.516 23.043 -14.789 221 1HA GLY 27 1HA GLY 27 -3.106 25.834 -14.578 222 2HA GLY 27 2HA GLY 27 -2.366 25.032 -15.966 223 H GLU 28 H GLU 28 -4.017 23.505 -17.284 224 HA GLU 28 HA GLU 28 -5.770 25.106 -18.626 225 1HB GLU 28 1HB GLU 28 -5.306 22.706 -19.154 226 2HB GLU 28 2HB GLU 28 -6.325 22.273 -17.772 227 1HG GLU 28 1HG GLU 28 -8.153 23.766 -19.088 228 2HG GLU 28 2HG GLU 28 -7.071 23.501 -20.446 229 H GLU 29 H GLU 29 -6.608 23.396 -15.630 230 HA GLU 29 HA GLU 29 -9.340 24.266 -15.523 231 1HB GLU 29 1HB GLU 29 -8.620 22.337 -14.261 232 2HB GLU 29 2HB GLU 29 -7.521 23.335 -13.284 233 1HG GLU 29 1HG GLU 29 -9.432 22.830 -11.971 234 2HG GLU 29 2HG GLU 29 -9.523 24.545 -12.362 235 H LEU 30 H LEU 30 -6.382 25.711 -13.940 236 HA LEU 30 HA LEU 30 -8.009 27.842 -12.841 237 1HB LEU 30 1HB LEU 30 -5.015 27.798 -13.417 238 2HB LEU 30 2HB LEU 30 -5.868 29.052 -12.498 239 HG LEU 30 HG LEU 30 -5.727 26.154 -11.648 240 1HD1 LEU 30 1HD1 LEU 30 -3.527 27.300 -11.574 241 2HD1 LEU 30 2HD1 LEU 30 -4.243 28.599 -10.597 242 3HD1 LEU 30 3HD1 LEU 30 -4.142 26.945 -9.950 243 1HD2 LEU 30 1HD2 LEU 30 -6.804 28.651 -10.250 244 2HD2 LEU 30 2HD2 LEU 30 -7.740 27.218 -10.723 245 3HD2 LEU 30 3HD2 LEU 30 -6.527 27.095 -9.448 246 H LEU 31 H LEU 31 -6.479 27.432 -15.982 247 HA LEU 31 HA LEU 31 -7.078 30.163 -16.897 248 1HB LEU 31 1HB LEU 31 -6.510 27.524 -18.271 249 2HB LEU 31 2HB LEU 31 -6.827 29.016 -19.158 250 HG LEU 31 HG LEU 31 -4.851 29.991 -18.601 251 1HD1 LEU 31 1HD1 LEU 31 -5.070 29.885 -16.059 252 2HD1 LEU 31 2HD1 LEU 31 -4.328 28.282 -16.135 253 3HD1 LEU 31 3HD1 LEU 31 -3.469 29.687 -16.709 254 1HD2 LEU 31 1HD2 LEU 31 -4.510 27.829 -19.753 255 2HD2 LEU 31 2HD2 LEU 31 -3.099 28.323 -18.772 256 3HD2 LEU 31 3HD2 LEU 31 -4.210 27.071 -18.170 257 H ALA 32 H ALA 32 -8.798 27.132 -16.687 258 HA ALA 32 HA ALA 32 -11.089 27.956 -18.141 259 1HB ALA 32 1HB ALA 32 -10.545 25.566 -17.243 260 2HB ALA 32 2HB ALA 32 -11.302 26.111 -15.734 261 3HB ALA 32 3HB ALA 32 -12.236 26.095 -17.214 262 H GLN 33 H GLN 33 -9.857 28.884 -15.012 263 HA GLN 33 HA GLN 33 -12.362 30.192 -14.199 264 1HB GLN 33 1HB GLN 33 -10.144 29.069 -12.831 265 2HB GLN 33 2HB GLN 33 -9.981 30.817 -12.609 266 1HG GLN 33 1HG GLN 33 -12.362 30.884 -11.834 267 2HG GLN 33 2HG GLN 33 -12.449 29.121 -12.018 268 1HE2 GLN 33 2HE2 GLN 33 -10.499 27.927 -10.865 269 2HE2 GLN 33 1HE2 GLN 33 -10.173 28.479 -9.234 270 H GLY 34 H GLY 34 -9.211 30.824 -15.524 271 1HA GLY 34 1HA GLY 34 -9.180 32.652 -17.220 272 2HA GLY 34 2HA GLY 34 -9.801 33.726 -15.971 273 H ASP 35 H ASP 35 -7.488 31.409 -14.765 274 HA ASP 35 HA ASP 35 -5.681 33.634 -14.233 275 1HB ASP 35 1HB ASP 35 -6.316 31.680 -12.650 276 2HB ASP 35 2HB ASP 35 -5.047 30.787 -13.501 277 H TYR 36 H TYR 36 -5.607 33.433 -16.914 278 HA TYR 36 HA TYR 36 -3.705 31.890 -18.254 279 1HB TYR 36 1HB TYR 36 -4.005 34.816 -18.817 280 2HB TYR 36 2HB TYR 36 -3.787 33.470 -19.941 281 HD1 TYR 36 HD1 TYR 36 -5.870 31.639 -19.692 282 HD2 TYR 36 HD2 TYR 36 -6.080 35.879 -18.941 283 HE1 TYR 36 HE1 TYR 36 -8.308 31.589 -20.097 284 HE2 TYR 36 HE2 TYR 36 -8.516 35.826 -19.348 285 HH TYR 36 HH TYR 36 -10.340 34.526 -19.842 286 H GLU 37 H GLU 37 -3.131 34.699 -16.302 287 HA GLU 37 HA GLU 37 -0.386 35.070 -16.945 288 1HB GLU 37 1HB GLU 37 -1.890 35.652 -14.344 289 2HB GLU 37 2HB GLU 37 -0.272 36.258 -14.729 290 1HG GLU 37 1HG GLU 37 -2.834 36.905 -16.267 291 2HG GLU 37 2HG GLU 37 -1.959 37.982 -15.173 292 H LYS 38 H LYS 38 -1.933 33.054 -14.537 293 HA LYS 38 HA LYS 38 0.649 31.921 -13.700 294 1HB LYS 38 1HB LYS 38 -2.237 31.197 -13.122 295 2HB LYS 38 2HB LYS 38 -0.983 30.070 -12.714 296 1HG LYS 38 1HG LYS 38 -1.105 32.941 -11.706 297 2HG LYS 38 2HG LYS 38 -1.652 31.528 -10.801 298 1HD LYS 38 1HD LYS 38 1.231 32.110 -11.642 299 2HD LYS 38 2HD LYS 38 0.543 32.231 -10.027 300 1HE LYS 38 1HE LYS 38 0.126 29.807 -9.964 301 2HE LYS 38 2HE LYS 38 0.779 29.617 -11.608 302 1HZ LYS 38 1HZ LYS 38 2.396 30.646 -9.407 303 2HZ LYS 38 2HZ LYS 38 2.338 29.069 -9.887 304 3HZ LYS 38 3HZ LYS 38 2.880 30.187 -10.926 305 H GLY 39 H GLY 39 -1.868 31.133 -16.055 306 1HA GLY 39 1HA GLY 39 -1.258 28.577 -16.746 307 2HA GLY 39 2HA GLY 39 -1.690 29.846 -17.925 308 H VAL 40 H VAL 40 0.424 31.562 -17.762 309 HA VAL 40 HA VAL 40 2.174 30.253 -19.597 310 HB VAL 40 HB VAL 40 2.510 32.899 -18.058 311 1HG1 VAL 40 1HG1 VAL 40 4.060 31.697 -20.373 312 2HG1 VAL 40 2HG1 VAL 40 4.052 33.422 -20.006 313 3HG1 VAL 40 3HG1 VAL 40 4.699 32.282 -18.825 314 1HG2 VAL 40 1HG2 VAL 40 1.355 32.257 -20.814 315 2HG2 VAL 40 2HG2 VAL 40 0.551 33.056 -19.462 316 3HG2 VAL 40 3HG2 VAL 40 1.843 33.883 -20.318 317 H ASP 41 H ASP 41 2.518 30.893 -16.162 318 HA ASP 41 HA ASP 41 5.214 29.875 -15.913 319 1HB ASP 41 1HB ASP 41 4.495 31.404 -14.235 320 2HB ASP 41 2HB ASP 41 3.007 30.504 -13.922 321 H HIS 42 H HIS 42 2.014 28.557 -15.242 322 HA HIS 42 HA HIS 42 2.737 26.036 -14.294 323 1HB HIS 42 1HB HIS 42 0.459 25.854 -14.146 324 2HB HIS 42 2HB HIS 42 0.254 27.336 -15.076 325 HD1 HIS 42 HD1 HIS 42 0.505 23.584 -15.455 326 HD2 HIS 42 HD2 HIS 42 -0.735 26.850 -17.765 327 HE1 HIS 42 HE1 HIS 42 -0.607 22.712 -17.559 328 H LEU 43 H LEU 43 2.162 27.153 -17.627 329 HA LEU 43 HA LEU 43 2.627 24.461 -18.584 330 1HB LEU 43 1HB LEU 43 1.260 26.456 -19.713 331 2HB LEU 43 2HB LEU 43 2.836 26.814 -20.431 332 HG LEU 43 HG LEU 43 2.888 24.326 -21.078 333 1HD1 LEU 43 1HD1 LEU 43 0.950 23.473 -19.683 334 2HD1 LEU 43 2HD1 LEU 43 -0.140 24.553 -20.580 335 3HD1 LEU 43 3HD1 LEU 43 0.652 23.216 -21.400 336 1HD2 LEU 43 1HD2 LEU 43 0.689 26.135 -22.222 337 2HD2 LEU 43 2HD2 LEU 43 2.397 26.133 -22.718 338 3HD2 LEU 43 3HD2 LEU 43 1.369 24.728 -23.066 339 H THR 44 H THR 44 4.587 27.388 -18.180 340 HA THR 44 HA THR 44 6.909 26.498 -19.473 341 HB THR 44 HB THR 44 6.770 28.222 -17.002 342 HG1 THR 44 HG1 THR 44 5.837 29.027 -18.932 343 1HG2 THR 44 1HG2 THR 44 9.076 27.532 -18.875 344 2HG2 THR 44 2HG2 THR 44 9.068 28.914 -17.759 345 3HG2 THR 44 3HG2 THR 44 9.019 27.265 -17.117 346 H ASN 45 H ASN 45 5.588 25.680 -16.333 347 HA ASN 45 HA ASN 45 7.860 24.144 -15.378 348 1HB ASN 45 1HB ASN 45 5.032 24.392 -14.378 349 2HB ASN 45 2HB ASN 45 6.163 23.179 -13.749 350 1HD2 ASN 45 2HD2 ASN 45 5.687 26.703 -14.099 351 2HD2 ASN 45 1HD2 ASN 45 6.769 27.149 -12.818 352 H ALA 46 H ALA 46 4.773 23.329 -17.029 353 HA ALA 46 HA ALA 46 5.117 20.547 -16.963 354 1HB ALA 46 1HB ALA 46 3.025 21.724 -17.491 355 2HB ALA 46 2HB ALA 46 3.645 22.088 -19.115 356 3HB ALA 46 3HB ALA 46 3.384 20.411 -18.587 357 H ILE 47 H ILE 47 6.390 23.037 -19.206 358 HA ILE 47 HA ILE 47 7.774 21.196 -20.937 359 HB ILE 47 HB ILE 47 8.258 24.134 -20.403 360 1HG1 ILE 47 1HG1 ILE 47 7.596 24.291 -22.903 361 2HG1 ILE 47 2HG1 ILE 47 7.022 22.622 -22.776 362 1HG2 ILE 47 1HG2 ILE 47 9.869 22.393 -22.223 363 2HG2 ILE 47 2HG2 ILE 47 9.828 24.166 -22.304 364 3HG2 ILE 47 3HG2 ILE 47 10.428 23.382 -20.867 365 1HD1 ILE 47 1HD1 ILE 47 6.109 24.972 -21.095 366 2HD1 ILE 47 2HD1 ILE 47 5.265 24.395 -22.532 367 3HD1 ILE 47 3HD1 ILE 47 5.375 23.327 -21.133 368 H ALA 48 H ALA 48 8.616 22.676 -17.900 369 HA ALA 48 HA ALA 48 11.401 22.141 -17.977 370 1HB ALA 48 1HB ALA 48 10.329 23.706 -16.324 371 2HB ALA 48 2HB ALA 48 9.720 22.281 -15.442 372 3HB ALA 48 3HB ALA 48 11.455 22.536 -15.603 373 H VAL 49 H VAL 49 8.636 20.147 -17.102 374 HA VAL 49 HA VAL 49 10.510 17.975 -16.267 375 HB VAL 49 HB VAL 49 8.680 16.934 -15.305 376 1HG1 VAL 49 1HG1 VAL 49 9.830 19.003 -14.263 377 2HG1 VAL 49 2HG1 VAL 49 8.333 19.879 -14.625 378 3HG1 VAL 49 3HG1 VAL 49 8.311 18.473 -13.540 379 1HG2 VAL 49 1HG2 VAL 49 6.924 17.648 -17.076 380 2HG2 VAL 49 2HG2 VAL 49 6.419 17.526 -15.411 381 3HG2 VAL 49 3HG2 VAL 49 6.751 19.124 -16.102 382 H CYS 50 H CYS 50 8.658 19.002 -19.033 383 HA CYS 50 HA CYS 50 8.439 16.231 -20.067 384 1HB CYS 50 1HB CYS 50 6.651 17.646 -20.559 385 2HB CYS 50 2HB CYS 50 7.703 18.922 -21.215 386 HG CYS 50 HG CYS 50 6.431 17.795 -23.165 387 H GLY 51 H GLY 51 10.277 19.239 -20.862 388 1HA GLY 51 1HA GLY 51 12.391 19.473 -21.701 389 2HA GLY 51 2HA GLY 51 12.646 17.727 -21.574 390 H GLN 52 H GLN 52 9.814 18.394 -23.298 391 HA GLN 52 HA GLN 52 11.068 18.515 -26.035 392 1HB GLN 52 1HB GLN 52 10.575 16.124 -25.191 393 2HB GLN 52 2HB GLN 52 8.877 16.579 -25.291 394 1HG GLN 52 1HG GLN 52 9.297 15.626 -27.373 395 2HG GLN 52 2HG GLN 52 9.484 17.357 -27.728 396 1HE2 GLN 52 2HE2 GLN 52 11.627 18.181 -28.185 397 2HE2 GLN 52 1HE2 GLN 52 12.949 17.084 -28.525 398 HA PRO 53 HA PRO 53 7.659 21.514 -24.718 399 1HB PRO 53 1HB PRO 53 8.782 23.701 -26.108 400 2HB PRO 53 2HB PRO 53 8.980 23.331 -24.381 401 1HG PRO 53 1HG PRO 53 10.835 22.572 -26.636 402 2HG PRO 53 2HG PRO 53 11.249 23.292 -25.052 403 1HD PRO 53 1HD PRO 53 11.540 20.696 -25.369 404 2HD PRO 53 2HD PRO 53 10.708 21.278 -23.907 405 H GLN 54 H GLN 54 9.343 21.553 -27.812 406 HA GLN 54 HA GLN 54 7.184 22.400 -29.432 407 1HB GLN 54 1HB GLN 54 9.473 20.538 -30.250 408 2HB GLN 54 2HB GLN 54 8.495 21.550 -31.325 409 1HG GLN 54 1HG GLN 54 9.455 23.602 -30.185 410 2HG GLN 54 2HG GLN 54 10.524 22.547 -29.246 411 1HE2 GLN 54 2HE2 GLN 54 11.658 24.495 -30.792 412 2HE2 GLN 54 1HE2 GLN 54 12.455 23.751 -32.162 413 H GLN 55 H GLN 55 8.002 19.076 -28.474 414 HA GLN 55 HA GLN 55 6.014 17.887 -30.151 415 1HB GLN 55 1HB GLN 55 7.855 16.589 -29.023 416 2HB GLN 55 2HB GLN 55 7.034 16.840 -27.466 417 1HG GLN 55 1HG GLN 55 6.489 14.653 -28.199 418 2HG GLN 55 2HG GLN 55 5.033 15.615 -28.460 419 1HE2 GLN 55 2HE2 GLN 55 7.927 14.202 -30.074 420 2HE2 GLN 55 1HE2 GLN 55 7.206 14.145 -31.670 421 H LEU 56 H LEU 56 5.939 19.037 -26.797 422 HA LEU 56 HA LEU 56 3.264 18.388 -26.383 423 1HB LEU 56 1HB LEU 56 4.793 18.928 -24.518 424 2HB LEU 56 2HB LEU 56 4.825 20.616 -25.043 425 HG LEU 56 HG LEU 56 2.354 20.757 -24.649 426 1HD1 LEU 56 1HD1 LEU 56 2.607 17.843 -24.152 427 2HD1 LEU 56 2HD1 LEU 56 1.900 18.726 -22.787 428 3HD1 LEU 56 3HD1 LEU 56 1.150 18.815 -24.327 429 1HD2 LEU 56 1HD2 LEU 56 4.180 20.041 -22.351 430 2HD2 LEU 56 2HD2 LEU 56 3.933 21.633 -23.083 431 3HD2 LEU 56 3HD2 LEU 56 2.611 20.867 -22.187 432 H LEU 57 H LEU 57 4.823 21.312 -27.746 433 HA LEU 57 HA LEU 57 2.411 22.865 -27.844 434 1HB LEU 57 1HB LEU 57 4.838 23.051 -29.687 435 2HB LEU 57 2HB LEU 57 3.552 24.246 -29.546 436 HG LEU 57 HG LEU 57 5.650 23.607 -27.429 437 1HD1 LEU 57 1HD1 LEU 57 5.131 25.993 -29.184 438 2HD1 LEU 57 2HD1 LEU 57 6.300 25.934 -27.843 439 3HD1 LEU 57 3HD1 LEU 57 6.496 24.875 -29.248 440 1HD2 LEU 57 1HD2 LEU 57 3.199 25.377 -27.200 441 2HD2 LEU 57 2HD2 LEU 57 3.673 24.031 -26.150 442 3HD2 LEU 57 3HD2 LEU 57 4.629 25.511 -26.155 443 H GLN 58 H GLN 58 3.765 20.613 -30.311 444 HA GLN 58 HA GLN 58 1.596 21.264 -32.081 445 1HB GLN 58 1HB GLN 58 2.181 19.524 -33.487 446 2HB GLN 58 2HB GLN 58 3.636 20.329 -32.920 447 1HG GLN 58 1HG GLN 58 4.113 18.020 -33.037 448 2HG GLN 58 2HG GLN 58 4.032 18.450 -31.338 449 1HE2 GLN 58 2HE2 GLN 58 3.249 16.600 -30.330 450 2HE2 GLN 58 1HE2 GLN 58 1.870 15.660 -30.882 451 H VAL 59 H VAL 59 2.054 18.863 -29.523 452 HA VAL 59 HA VAL 59 -0.404 17.547 -29.923 453 HB VAL 59 HB VAL 59 1.746 17.043 -28.301 454 1HG1 VAL 59 1HG1 VAL 59 -0.567 17.684 -26.362 455 2HG1 VAL 59 2HG1 VAL 59 0.867 16.724 -25.961 456 3HG1 VAL 59 3HG1 VAL 59 1.001 18.408 -26.364 457 1HG2 VAL 59 1HG2 VAL 59 -0.853 15.707 -28.253 458 2HG2 VAL 59 2HG2 VAL 59 0.568 15.401 -29.272 459 3HG2 VAL 59 3HG2 VAL 59 0.684 15.164 -27.522 460 H LEU 60 H LEU 60 0.267 20.523 -28.302 461 HA LEU 60 HA LEU 60 -2.384 20.692 -26.977 462 1HB LEU 60 1HB LEU 60 -0.064 22.568 -27.554 463 2HB LEU 60 2HB LEU 60 -1.605 23.255 -27.122 464 HG LEU 60 HG LEU 60 0.375 22.814 -25.420 465 1HD1 LEU 60 1HD1 LEU 60 -1.682 24.102 -24.926 466 2HD1 LEU 60 2HD1 LEU 60 -2.610 22.596 -24.741 467 3HD1 LEU 60 3HD1 LEU 60 -1.330 23.002 -23.584 468 1HD2 LEU 60 1HD2 LEU 60 0.152 20.304 -25.554 469 2HD2 LEU 60 2HD2 LEU 60 0.000 20.972 -23.922 470 3HD2 LEU 60 3HD2 LEU 60 -1.439 20.429 -24.797 471 H GLN 61 H GLN 61 -0.848 21.830 -29.980 472 HA GLN 61 HA GLN 61 -3.123 23.404 -30.813 473 1HB GLN 61 1HB GLN 61 -0.803 23.735 -31.663 474 2HB GLN 61 2HB GLN 61 -0.941 22.215 -32.567 475 1HG GLN 61 1HG GLN 61 -1.296 24.071 -34.037 476 2HG GLN 61 2HG GLN 61 -2.812 23.185 -33.878 477 1HE2 GLN 61 2HE2 GLN 61 -4.500 24.638 -33.870 478 2HE2 GLN 61 1HE2 GLN 61 -4.469 26.213 -33.102 479 H GLN 62 H GLN 62 -2.358 20.028 -31.016 480 HA GLN 62 HA GLN 62 -4.226 19.261 -33.082 481 1HB GLN 62 1HB GLN 62 -2.680 17.815 -30.904 482 2HB GLN 62 2HB GLN 62 -3.798 16.953 -31.964 483 1HG GLN 62 1HG GLN 62 -1.548 18.651 -33.086 484 2HG GLN 62 2HG GLN 62 -1.318 16.968 -32.586 485 1HE2 GLN 62 2HE2 GLN 62 -2.800 19.125 -34.970 486 2HE2 GLN 62 1HE2 GLN 62 -3.271 17.862 -36.090 487 H THR 63 H THR 63 -4.330 19.410 -29.496 488 HA THR 63 HA THR 63 -6.999 18.235 -29.483 489 HB THR 63 HB THR 63 -5.671 17.577 -27.774 490 HG1 THR 63 HG1 THR 63 -7.974 18.225 -27.411 491 1HG2 THR 63 1HG2 THR 63 -5.300 20.441 -26.885 492 2HG2 THR 63 2HG2 THR 63 -4.872 19.001 -25.959 493 3HG2 THR 63 3HG2 THR 63 -4.074 19.310 -27.478 494 H LEU 64 H LEU 64 -5.632 21.471 -29.092 495 HA LEU 64 HA LEU 64 -8.056 22.612 -30.130 496 1HB LEU 64 1HB LEU 64 -9.103 23.634 -28.344 497 2HB LEU 64 2HB LEU 64 -8.735 22.059 -27.684 498 HG LEU 64 HG LEU 64 -7.192 24.637 -27.123 499 1HD1 LEU 64 1HD1 LEU 64 -9.469 24.614 -26.199 500 2HD1 LEU 64 2HD1 LEU 64 -9.145 23.048 -25.421 501 3HD1 LEU 64 3HD1 LEU 64 -8.246 24.497 -24.922 502 1HD2 LEU 64 1HD2 LEU 64 -6.939 21.850 -25.906 503 2HD2 LEU 64 2HD2 LEU 64 -5.697 22.690 -26.867 504 3HD2 LEU 64 3HD2 LEU 64 -6.154 23.317 -25.284 505 HA PRO 65 HA PRO 65 -5.211 25.888 -31.021 506 1HB PRO 65 1HB PRO 65 -6.834 28.076 -31.364 507 2HB PRO 65 2HB PRO 65 -6.689 26.736 -32.538 508 1HG PRO 65 1HG PRO 65 -8.813 27.096 -30.412 509 2HG PRO 65 2HG PRO 65 -9.042 26.704 -32.141 510 1HD PRO 65 1HD PRO 65 -9.060 24.777 -30.251 511 2HD PRO 65 2HD PRO 65 -8.260 24.477 -31.817 512 HA PRO 66 HA PRO 66 -5.099 27.347 -26.662 513 1HB PRO 66 1HB PRO 66 -2.501 27.393 -26.257 514 2HB PRO 66 2HB PRO 66 -3.377 25.874 -26.555 515 1HG PRO 66 1HG PRO 66 -1.701 27.395 -28.571 516 2HG PRO 66 2HG PRO 66 -1.756 25.649 -28.247 517 1HD PRO 66 1HD PRO 66 -3.209 27.092 -30.201 518 2HD PRO 66 2HD PRO 66 -3.549 25.434 -29.638 519 HA PRO 67 HA PRO 67 -4.504 31.737 -27.948 520 1HB PRO 67 1HB PRO 67 -6.105 32.946 -26.118 521 2HB PRO 67 2HB PRO 67 -6.769 32.087 -27.537 522 1HG PRO 67 1HG PRO 67 -6.506 31.045 -24.707 523 2HG PRO 67 2HG PRO 67 -7.921 30.953 -25.787 524 1HD PRO 67 1HD PRO 67 -6.143 28.888 -25.489 525 2HD PRO 67 2HD PRO 67 -6.987 29.213 -27.031 526 H VAL 68 H VAL 68 -4.445 30.269 -24.758 527 HA VAL 68 HA VAL 68 -2.936 32.118 -23.256 528 HB VAL 68 HB VAL 68 -3.218 29.070 -23.053 529 1HG1 VAL 68 1HG1 VAL 68 -1.727 30.967 -21.222 530 2HG1 VAL 68 2HG1 VAL 68 -2.244 29.315 -20.794 531 3HG1 VAL 68 3HG1 VAL 68 -1.076 29.553 -22.090 532 1HG2 VAL 68 1HG2 VAL 68 -4.302 31.417 -21.430 533 2HG2 VAL 68 2HG2 VAL 68 -5.243 30.466 -22.597 534 3HG2 VAL 68 3HG2 VAL 68 -4.634 29.701 -21.124 535 H PHE 69 H PHE 69 -1.902 29.332 -25.191 536 HA PHE 69 HA PHE 69 0.891 29.374 -24.933 537 1HB PHE 69 1HB PHE 69 -0.206 27.685 -26.217 538 2HB PHE 69 2HB PHE 69 -0.900 28.917 -27.282 539 HD1 PHE 69 HD1 PHE 69 2.552 27.950 -26.139 540 HD2 PHE 69 HD2 PHE 69 -0.047 28.945 -29.430 541 HE1 PHE 69 HE1 PHE 69 4.434 27.675 -27.707 542 HE2 PHE 69 HE2 PHE 69 1.844 28.660 -31.006 543 HZ PHE 69 HZ PHE 69 4.090 28.025 -30.153 544 H GLN 70 H GLN 70 -1.083 31.372 -27.083 545 HA GLN 70 HA GLN 70 1.109 32.704 -28.323 546 1HB GLN 70 1HB GLN 70 -1.147 32.716 -29.305 547 2HB GLN 70 2HB GLN 70 -1.733 33.746 -27.990 548 1HG GLN 70 1HG GLN 70 -1.349 35.032 -29.996 549 2HG GLN 70 2HG GLN 70 -0.284 35.578 -28.706 550 1HE2 GLN 70 2HE2 GLN 70 2.022 35.045 -28.849 551 2HE2 GLN 70 1HE2 GLN 70 2.726 34.659 -30.413 552 H MET 71 H MET 71 -0.575 33.355 -25.303 553 HA MET 71 HA MET 71 0.741 35.913 -24.841 554 1HB MET 71 1HB MET 71 -0.822 34.227 -22.837 555 2HB MET 71 2HB MET 71 -0.403 35.941 -22.759 556 1HG MET 71 1HG MET 71 -1.783 36.017 -25.068 557 2HG MET 71 2HG MET 71 -2.536 34.572 -24.389 558 1HE MET 71 1HE MET 71 -3.876 34.570 -22.106 559 2HE MET 71 2HE MET 71 -2.506 35.314 -21.237 560 3HE MET 71 3HE MET 71 -4.133 36.023 -21.109 561 H LEU 72 H LEU 72 1.202 32.464 -24.013 562 HA LEU 72 HA LEU 72 3.231 32.846 -22.096 563 1HB LEU 72 1HB LEU 72 2.598 30.683 -21.968 564 2HB LEU 72 2HB LEU 72 2.132 30.635 -23.646 565 HG LEU 72 HG LEU 72 4.485 30.332 -24.309 566 1HD1 LEU 72 1HD1 LEU 72 5.592 31.208 -22.158 567 2HD1 LEU 72 2HD1 LEU 72 4.966 29.777 -21.330 568 3HD1 LEU 72 3HD1 LEU 72 6.137 29.600 -22.644 569 1HD2 LEU 72 1HD2 LEU 72 2.860 28.456 -23.990 570 2HD2 LEU 72 2HD2 LEU 72 4.535 27.964 -23.684 571 3HD2 LEU 72 3HD2 LEU 72 3.430 28.271 -22.328 572 H LEU 73 H LEU 73 3.221 32.607 -25.577 573 HA LEU 73 HA LEU 73 6.090 32.900 -25.887 574 1HB LEU 73 1HB LEU 73 3.880 33.674 -27.844 575 2HB LEU 73 2HB LEU 73 5.583 33.464 -28.240 576 HG LEU 73 HG LEU 73 3.591 31.253 -27.609 577 1HD1 LEU 73 1HD1 LEU 73 3.433 32.408 -29.710 578 2HD1 LEU 73 2HD1 LEU 73 5.165 32.136 -30.017 579 3HD1 LEU 73 3HD1 LEU 73 4.038 30.753 -29.927 580 1HD2 LEU 73 1HD2 LEU 73 6.600 31.089 -27.946 581 2HD2 LEU 73 2HD2 LEU 73 5.612 30.494 -26.586 582 3HD2 LEU 73 3HD2 LEU 73 5.488 29.728 -28.172 583 H THR 74 H THR 74 3.664 35.202 -25.282 584 HA THR 74 HA THR 74 5.367 37.403 -26.252 585 HB THR 74 HB THR 74 2.815 37.174 -26.691 586 HG1 THR 74 HG1 THR 74 2.908 39.398 -27.058 587 1HG2 THR 74 1HG2 THR 74 2.298 37.395 -24.193 588 2HG2 THR 74 2HG2 THR 74 2.934 39.044 -24.301 589 3HG2 THR 74 3HG2 THR 74 1.508 38.572 -25.263 590 H LYS 75 H LYS 75 4.495 35.717 -23.366 591 HA LYS 75 HA LYS 75 5.239 37.823 -21.533 592 1HB LYS 75 1HB LYS 75 3.837 35.496 -21.252 593 2HB LYS 75 2HB LYS 75 5.453 34.910 -20.847 594 1HG LYS 75 1HG LYS 75 4.412 35.375 -18.885 595 2HG LYS 75 2HG LYS 75 5.608 36.667 -19.164 596 1HD LYS 75 1HD LYS 75 3.570 37.551 -18.144 597 2HD LYS 75 2HD LYS 75 3.745 38.206 -19.781 598 1HE LYS 75 1HE LYS 75 2.037 36.544 -20.582 599 2HE LYS 75 2HE LYS 75 1.921 35.904 -18.929 600 1HZ LYS 75 1HZ LYS 75 1.149 38.082 -18.233 601 2HZ LYS 75 2HZ LYS 75 1.216 38.632 -19.790 602 3HZ LYS 75 3HZ LYS 75 0.169 37.438 -19.327 603 H LEU 76 H LEU 76 6.823 35.009 -22.990 604 HA LEU 76 HA LEU 76 9.232 34.975 -21.581 605 1HB LEU 76 1HB LEU 76 8.456 34.135 -24.383 606 2HB LEU 76 2HB LEU 76 10.098 33.883 -23.780 607 HG LEU 76 HG LEU 76 7.584 32.695 -22.461 608 1HD1 LEU 76 1HD1 LEU 76 9.431 31.500 -24.542 609 2HD1 LEU 76 2HD1 LEU 76 8.160 30.641 -23.636 610 3HD1 LEU 76 3HD1 LEU 76 7.725 31.932 -24.757 611 1HD2 LEU 76 1HD2 LEU 76 10.542 31.968 -22.287 612 2HD2 LEU 76 2HD2 LEU 76 9.611 32.780 -21.006 613 3HD2 LEU 76 3HD2 LEU 76 9.200 31.126 -21.489 614 HA PRO 77 HA PRO 77 11.535 37.984 -24.332 615 1HB PRO 77 1HB PRO 77 10.497 39.167 -26.522 616 2HB PRO 77 2HB PRO 77 10.951 37.439 -26.563 617 1HG PRO 77 1HG PRO 77 8.181 38.584 -26.001 618 2HG PRO 77 2HG PRO 77 8.621 37.384 -27.255 619 1HD PRO 77 1HD PRO 77 7.722 36.592 -24.799 620 2HD PRO 77 2HD PRO 77 9.053 35.721 -25.637 621 H THR 78 H THR 78 11.467 40.468 -24.899 622 HA THR 78 HA THR 78 9.308 42.030 -23.729 623 HB THR 78 HB THR 78 12.075 41.708 -22.489 624 HG1 THR 78 HG1 THR 78 10.029 40.581 -21.814 625 1HG2 THR 78 1HG2 THR 78 10.133 44.025 -22.212 626 2HG2 THR 78 2HG2 THR 78 11.489 43.689 -21.102 627 3HG2 THR 78 3HG2 THR 78 11.819 44.095 -22.795 628 H ILE 79 H ILE 79 12.689 41.990 -24.936 629 HA ILE 79 HA ILE 79 12.618 44.591 -26.077 630 HB ILE 79 HB ILE 79 14.321 42.152 -26.847 631 1HG1 ILE 79 1HG1 ILE 79 16.156 43.465 -25.707 632 2HG1 ILE 79 2HG1 ILE 79 14.924 44.525 -25.017 633 1HG2 ILE 79 1HG2 ILE 79 14.590 45.064 -27.661 634 2HG2 ILE 79 2HG2 ILE 79 15.834 43.821 -27.914 635 3HG2 ILE 79 3HG2 ILE 79 14.280 43.666 -28.719 636 1HD1 ILE 79 1HD1 ILE 79 14.932 41.493 -24.651 637 2HD1 ILE 79 2HD1 ILE 79 15.826 42.595 -23.585 638 3HD1 ILE 79 3HD1 ILE 79 14.067 42.708 -23.669 639 H SER 80 H SER 80 11.985 41.405 -27.409 640 HA SER 80 HA SER 80 11.478 42.059 -30.054 641 1HB SER 80 1HB SER 80 9.822 40.000 -28.551 642 2HB SER 80 2HB SER 80 10.324 39.991 -30.250 643 HG SER 80 HG SER 80 11.677 38.647 -29.025 644 H GLN 81 H GLN 81 9.170 42.074 -27.322 645 HA GLN 81 HA GLN 81 6.883 42.900 -28.706 646 1HB GLN 81 1HB GLN 81 6.856 41.965 -26.482 647 2HB GLN 81 2HB GLN 81 7.705 43.349 -25.808 648 1HG GLN 81 1HG GLN 81 5.001 43.556 -27.195 649 2HG GLN 81 2HG GLN 81 5.179 43.229 -25.465 650 1HE2 GLN 81 2HE2 GLN 81 3.855 45.544 -26.704 651 2HE2 GLN 81 1HE2 GLN 81 4.711 46.947 -26.105 652 H ARG 82 H ARG 82 9.488 44.762 -27.246 653 HA ARG 82 HA ARG 82 8.331 47.333 -27.719 654 1HB ARG 82 1HB ARG 82 10.045 47.031 -26.071 655 2HB ARG 82 2HB ARG 82 11.267 46.648 -27.291 656 1HG ARG 82 1HG ARG 82 9.762 49.260 -27.479 657 2HG ARG 82 2HG ARG 82 11.011 49.059 -26.245 658 1HD ARG 82 1HD ARG 82 12.681 48.466 -27.934 659 2HD ARG 82 2HD ARG 82 11.486 48.675 -29.230 660 HE ARG 82 HE ARG 82 11.521 51.042 -27.694 661 1HH1 ARG 82 1HH1 ARG 82 13.625 49.237 -29.892 662 2HH1 ARG 82 2HH1 ARG 82 14.473 50.644 -30.472 663 1HH2 ARG 82 1HH2 ARG 82 12.648 52.908 -28.432 664 2HH2 ARG 82 2HH2 ARG 82 13.898 52.764 -29.631 665 H ILE 83 H ILE 83 10.557 45.335 -29.804 666 HA ILE 83 HA ILE 83 10.950 47.418 -31.684 667 HB ILE 83 HB ILE 83 10.785 44.463 -32.467 668 1HG1 ILE 83 1HG1 ILE 83 12.063 44.194 -30.725 669 2HG1 ILE 83 2HG1 ILE 83 13.162 44.309 -32.113 670 1HG2 ILE 83 1HG2 ILE 83 11.025 46.037 -34.348 671 2HG2 ILE 83 2HG2 ILE 83 12.494 46.703 -33.605 672 3HG2 ILE 83 3HG2 ILE 83 12.444 45.019 -34.155 673 1HD1 ILE 83 1HD1 ILE 83 13.653 46.680 -31.407 674 2HD1 ILE 83 2HD1 ILE 83 12.730 46.355 -29.908 675 3HD1 ILE 83 3HD1 ILE 83 14.187 45.419 -30.269 676 H VAL 84 H VAL 84 8.658 44.704 -31.592 677 HA VAL 84 HA VAL 84 7.221 45.426 -33.943 678 HB VAL 84 HB VAL 84 6.176 43.988 -31.456 679 1HG1 VAL 84 1HG1 VAL 84 5.043 44.099 -34.283 680 2HG1 VAL 84 2HG1 VAL 84 4.481 43.001 -33.006 681 3HG1 VAL 84 3HG1 VAL 84 4.281 44.744 -32.811 682 1HG2 VAL 84 1HG2 VAL 84 8.117 42.804 -32.528 683 2HG2 VAL 84 2HG2 VAL 84 6.610 41.901 -32.694 684 3HG2 VAL 84 3HG2 VAL 84 7.246 42.821 -34.070 685 H SER 85 H SER 85 6.744 46.540 -30.651 686 HA SER 85 HA SER 85 4.488 48.188 -31.370 687 1HB SER 85 1HB SER 85 6.200 48.229 -28.872 688 2HB SER 85 2HB SER 85 4.605 48.992 -29.090 689 HG SER 85 HG SER 85 5.252 46.232 -29.105 690 H ALA 86 H ALA 86 6.491 48.781 -33.138 691 HA ALA 86 HA ALA 86 6.652 51.605 -33.054 692 1HB ALA 86 1HB ALA 86 9.292 50.124 -32.528 693 2HB ALA 86 2HB ALA 86 9.156 51.841 -32.965 694 3HB ALA 86 3HB ALA 86 8.515 51.270 -31.417 695 H GLN 87 H GLN 87 8.155 48.641 -34.268 696 HA GLN 87 HA GLN 87 8.648 49.658 -36.929 697 1HB GLN 87 1HB GLN 87 10.056 47.915 -35.810 698 2HB GLN 87 2HB GLN 87 8.703 46.782 -35.935 699 1HG GLN 87 1HG GLN 87 8.793 47.133 -38.466 700 2HG GLN 87 2HG GLN 87 10.222 48.139 -38.206 701 1HE2 GLN 87 2HE2 GLN 87 8.870 44.864 -37.540 702 2HE2 GLN 87 1HE2 GLN 87 10.414 44.033 -37.595 703 H SER 88 H SER 88 6.307 50.406 -36.752 704 HA SER 88 HA SER 88 4.541 49.148 -38.557 705 1HB SER 88 1HB SER 88 3.901 48.823 -35.584 706 2HB SER 88 2HB SER 88 2.633 48.913 -36.816 707 HG SER 88 HG SER 88 4.753 47.043 -36.875 708 H LEU 89 H LEU 89 4.961 51.274 -35.691 709 HA LEU 89 HA LEU 89 3.199 53.311 -36.898 710 1HB LEU 89 1HB LEU 89 3.101 54.337 -34.781 711 2HB LEU 89 2HB LEU 89 2.867 52.598 -34.557 712 HG LEU 89 HG LEU 89 5.629 53.123 -34.134 713 1HD1 LEU 89 1HD1 LEU 89 5.053 55.520 -33.778 714 2HD1 LEU 89 2HD1 LEU 89 3.859 55.038 -32.559 715 3HD1 LEU 89 3HD1 LEU 89 5.585 54.725 -32.292 716 1HD2 LEU 89 1HD2 LEU 89 3.262 52.618 -32.236 717 2HD2 LEU 89 2HD2 LEU 89 4.247 51.366 -33.017 718 3HD2 LEU 89 3HD2 LEU 89 4.957 52.428 -31.777 719 H GLY 90 H GLY 90 5.585 52.705 -38.215 720 1HA GLY 90 1HA GLY 90 6.606 55.321 -38.684 721 2HA GLY 90 2HA GLY 90 7.772 54.385 -37.715 722 H GLU 91 H GLU 91 8.290 55.276 -40.333 723 HA GLU 91 HA GLU 91 8.221 52.827 -42.011 724 1HB GLU 91 1HB GLU 91 7.129 54.810 -42.953 725 2HB GLU 91 2HB GLU 91 8.594 55.773 -42.693 726 1HG GLU 91 1HG GLU 91 8.294 55.127 -45.043 727 2HG GLU 91 2HG GLU 91 9.797 54.490 -44.388 728 H ASP 92 H ASP 92 10.275 52.333 -43.187 729 HA ASP 92 HA ASP 92 12.745 53.645 -42.389 730 1HB ASP 92 1HB ASP 92 12.324 52.141 -40.440 731 2HB ASP 92 2HB ASP 92 12.262 50.756 -41.537 732 H ASP 93 H ASP 93 11.987 53.846 -44.770 733 HA ASP 93 HA ASP 93 12.414 51.556 -46.503 734 1HB ASP 93 1HB ASP 93 10.815 53.309 -47.103 735 2HB ASP 93 2HB ASP 93 12.121 54.504 -47.191 736 H VAL 94 H VAL 94 14.581 51.128 -45.412 737 HA VAL 94 HA VAL 94 16.833 52.737 -46.540 738 HB VAL 94 HB VAL 94 16.744 50.785 -44.202 739 1HG1 VAL 94 1HG1 VAL 94 19.014 52.517 -45.281 740 2HG1 VAL 94 2HG1 VAL 94 19.040 51.605 -43.757 741 3HG1 VAL 94 3HG1 VAL 94 18.952 50.740 -45.296 742 1HG2 VAL 94 1HG2 VAL 94 17.028 53.825 -44.305 743 2HG2 VAL 94 2HG2 VAL 94 15.614 52.936 -43.705 744 3HG2 VAL 94 3HG2 VAL 94 17.155 52.818 -42.848 745 H GLU 95 H GLU 95 17.611 51.921 -48.397 746 HA GLU 95 HA GLU 95 18.244 49.084 -48.660 747 1HB GLU 95 1HB GLU 95 15.889 49.329 -49.538 748 2HB GLU 95 2HB GLU 95 16.474 50.570 -50.656 749 1HG GLU 95 1HG GLU 95 16.298 48.508 -51.869 750 2HG GLU 95 2HG GLU 95 18.022 48.835 -51.663 751 1H GLY 1 1H GLY 1 -13.571 22.319 -22.509 752 2H GLY 1 2H GLY 1 -14.173 20.821 -22.211 753 3H GLY 1 3H GLY 1 -15.212 22.090 -22.431 754 1HA GLY 1 1HA GLY 1 -14.432 23.127 -20.431 755 2HA GLY 1 2HA GLY 1 -15.004 21.467 -20.113 756 HA PRO 2 HA PRO 2 -10.555 22.073 -18.640 757 1HB PRO 2 1HB PRO 2 -10.839 21.421 -16.013 758 2HB PRO 2 2HB PRO 2 -11.202 23.038 -16.666 759 1HG PRO 2 1HG PRO 2 -13.175 20.795 -16.162 760 2HG PRO 2 2HG PRO 2 -13.280 22.493 -15.611 761 1HD PRO 2 1HD PRO 2 -14.545 21.657 -17.858 762 2HD PRO 2 2HD PRO 2 -13.756 23.260 -17.818 763 H ARG 3 H ARG 3 -10.231 20.264 -20.109 764 HA ARG 3 HA ARG 3 -9.496 17.856 -18.752 765 1HB ARG 3 1HB ARG 3 -12.029 17.525 -19.088 766 2HB ARG 3 2HB ARG 3 -11.685 17.413 -20.817 767 1HG ARG 3 1HG ARG 3 -10.073 15.505 -20.279 768 2HG ARG 3 2HG ARG 3 -10.488 15.703 -18.573 769 1HD ARG 3 1HD ARG 3 -11.753 13.874 -19.406 770 2HD ARG 3 2HD ARG 3 -12.888 15.218 -19.151 771 HE ARG 3 HE ARG 3 -11.961 15.338 -21.824 772 1HH1 ARG 3 1HH1 ARG 3 -13.897 13.188 -19.788 773 2HH1 ARG 3 2HH1 ARG 3 -14.817 12.519 -21.107 774 1HH2 ARG 3 1HH2 ARG 3 -13.184 14.474 -23.581 775 2HH2 ARG 3 2HH2 ARG 3 -14.405 13.267 -23.294 776 H LEU 4 H LEU 4 -7.770 19.322 -19.835 777 HA LEU 4 HA LEU 4 -7.305 19.071 -22.632 778 1HB LEU 4 1HB LEU 4 -6.307 20.841 -21.294 779 2HB LEU 4 2HB LEU 4 -5.441 19.665 -20.298 780 HG LEU 4 HG LEU 4 -4.040 19.081 -22.263 781 1HD1 LEU 4 1HD1 LEU 4 -5.633 21.260 -23.695 782 2HD1 LEU 4 2HD1 LEU 4 -4.185 20.439 -24.318 783 3HD1 LEU 4 3HD1 LEU 4 -5.685 19.527 -24.058 784 1HD2 LEU 4 1HD2 LEU 4 -3.430 21.013 -20.736 785 2HD2 LEU 4 2HD2 LEU 4 -2.768 21.121 -22.378 786 3HD2 LEU 4 3HD2 LEU 4 -4.173 22.103 -21.916 787 H SER 5 H SER 5 -7.027 16.768 -20.070 788 HA SER 5 HA SER 5 -4.920 15.133 -21.172 789 1HB SER 5 1HB SER 5 -5.656 13.574 -19.413 790 2HB SER 5 2HB SER 5 -5.350 15.219 -18.819 791 HG SER 5 HG SER 5 -7.885 14.129 -19.476 792 H ARG 6 H ARG 6 -6.013 15.395 -23.344 793 HA ARG 6 HA ARG 6 -7.937 13.183 -23.942 794 1HB ARG 6 1HB ARG 6 -8.734 15.426 -24.459 795 2HB ARG 6 2HB ARG 6 -7.309 15.798 -25.417 796 1HG ARG 6 1HG ARG 6 -9.170 13.473 -26.098 797 2HG ARG 6 2HG ARG 6 -9.505 15.139 -26.588 798 1HD ARG 6 1HD ARG 6 -7.273 15.232 -27.722 799 2HD ARG 6 2HD ARG 6 -7.104 13.480 -27.441 800 HE ARG 6 HE ARG 6 -9.582 13.764 -28.623 801 1HH1 ARG 6 1HH1 ARG 6 -6.241 14.533 -29.528 802 2HH1 ARG 6 2HH1 ARG 6 -6.528 14.386 -31.241 803 1HH2 ARG 6 1HH2 ARG 6 -9.957 13.566 -30.879 804 2HH2 ARG 6 2HH2 ARG 6 -8.664 13.827 -32.012 805 H LEU 7 H LEU 7 -5.275 15.060 -25.484 806 HA LEU 7 HA LEU 7 -4.252 12.881 -27.066 807 1HB LEU 7 1HB LEU 7 -2.398 14.206 -27.505 808 2HB LEU 7 2HB LEU 7 -3.866 15.153 -27.663 809 HG LEU 7 HG LEU 7 -2.200 16.523 -26.920 810 1HD1 LEU 7 1HD1 LEU 7 -4.294 17.007 -25.949 811 2HD1 LEU 7 2HD1 LEU 7 -3.808 16.238 -24.443 812 3HD1 LEU 7 3HD1 LEU 7 -2.904 17.642 -25.026 813 1HD2 LEU 7 1HD2 LEU 7 -0.566 14.936 -25.824 814 2HD2 LEU 7 2HD2 LEU 7 -0.901 16.325 -24.767 815 3HD2 LEU 7 3HD2 LEU 7 -1.683 14.822 -24.495 816 H LEU 8 H LEU 8 -3.576 13.789 -23.754 817 HA LEU 8 HA LEU 8 -1.245 12.222 -23.515 818 1HB LEU 8 1HB LEU 8 -3.108 13.069 -21.356 819 2HB LEU 8 2HB LEU 8 -1.490 12.380 -21.136 820 HG LEU 8 HG LEU 8 -1.181 14.639 -20.784 821 1HD1 LEU 8 1HD1 LEU 8 -0.053 14.054 -23.503 822 2HD1 LEU 8 2HD1 LEU 8 0.265 15.517 -22.587 823 3HD1 LEU 8 3HD1 LEU 8 0.675 13.939 -21.916 824 1HD2 LEU 8 1HD2 LEU 8 -3.219 15.195 -22.788 825 2HD2 LEU 8 2HD2 LEU 8 -2.853 15.945 -21.298 826 3HD2 LEU 8 3HD2 LEU 8 -1.895 16.360 -22.714 827 H SER 9 H SER 9 -4.423 11.050 -23.927 828 HA SER 9 HA SER 9 -4.132 8.595 -22.453 829 1HB SER 9 1HB SER 9 -6.296 9.531 -23.337 830 2HB SER 9 2HB SER 9 -5.744 9.143 -24.981 831 HG SER 9 HG SER 9 -5.442 6.934 -24.071 832 H TYR 10 H TYR 10 -2.549 9.858 -25.244 833 HA TYR 10 HA TYR 10 -2.038 7.462 -26.711 834 1HB TYR 10 1HB TYR 10 -0.667 8.871 -28.035 835 2HB TYR 10 2HB TYR 10 -2.122 9.765 -27.636 836 HD1 TYR 10 HD1 TYR 10 -0.357 10.249 -24.628 837 HD2 TYR 10 HD2 TYR 10 -0.069 11.263 -28.825 838 HE1 TYR 10 HE1 TYR 10 1.032 12.095 -24.047 839 HE2 TYR 10 HE2 TYR 10 1.353 13.163 -28.211 840 HH TYR 10 HH TYR 10 2.277 13.898 -24.829 841 H ALA 11 H ALA 11 -0.768 8.377 -23.668 842 HA ALA 11 HA ALA 11 1.512 6.567 -23.933 843 1HB ALA 11 1HB ALA 11 2.386 8.717 -24.874 844 2HB ALA 11 2HB ALA 11 1.853 9.573 -23.424 845 3HB ALA 11 3HB ALA 11 3.138 8.358 -23.307 Start of MODEL 5 1 1H ARG 1 1H ARG 1 4.426 7.899 10.460 2 2H ARG 1 2H ARG 1 3.491 6.538 10.309 3 3H ARG 1 3H ARG 1 4.779 6.796 9.304 4 HA ARG 1 HA ARG 1 2.840 7.242 8.111 5 1HB ARG 1 1HB ARG 1 1.351 9.141 8.815 6 2HB ARG 1 2HB ARG 1 1.268 7.673 9.776 7 1HG ARG 1 1HG ARG 1 1.101 9.418 11.286 8 2HG ARG 1 2HG ARG 1 2.711 8.764 11.540 9 1HD ARG 1 1HD ARG 1 3.708 10.664 10.330 10 2HD ARG 1 2HD ARG 1 2.116 11.263 9.862 11 HE ARG 1 HE ARG 1 3.531 11.584 12.377 12 1HH1 ARG 1 1HH1 ARG 1 0.284 11.530 10.956 13 2HH1 ARG 1 2HH1 ARG 1 -0.431 12.496 12.216 14 1HH2 ARG 1 1HH2 ARG 1 2.590 12.849 14.039 15 2HH2 ARG 1 2HH2 ARG 1 0.898 13.247 13.991 16 H ALA 2 H ALA 2 2.642 9.088 6.590 17 HA ALA 2 HA ALA 2 4.417 11.328 6.704 18 1HB ALA 2 1HB ALA 2 5.209 8.979 4.907 19 2HB ALA 2 2HB ALA 2 5.951 10.592 4.877 20 3HB ALA 2 3HB ALA 2 6.143 9.565 6.298 21 H GLY 3 H GLY 3 4.596 12.120 4.215 22 1HA GLY 3 1HA GLY 3 2.161 11.567 2.643 23 2HA GLY 3 2HA GLY 3 2.429 13.224 3.237 24 H LEU 4 H LEU 4 2.489 12.234 0.406 25 HA LEU 4 HA LEU 4 4.987 13.453 -0.382 26 1HB LEU 4 1HB LEU 4 5.846 11.291 0.048 27 2HB LEU 4 2HB LEU 4 4.449 10.467 -0.622 28 HG LEU 4 HG LEU 4 6.377 11.960 -2.474 29 1HD1 LEU 4 1HD1 LEU 4 6.590 9.145 -1.366 30 2HD1 LEU 4 2HD1 LEU 4 7.569 9.826 -2.684 31 3HD1 LEU 4 3HD1 LEU 4 7.706 10.492 -1.051 32 1HD2 LEU 4 1HD2 LEU 4 4.477 9.577 -2.782 33 2HD2 LEU 4 2HD2 LEU 4 4.262 11.174 -3.522 34 3HD2 LEU 4 3HD2 LEU 4 5.603 10.146 -4.022 35 H SER 5 H SER 5 4.907 14.170 -2.559 36 HA SER 5 HA SER 5 3.100 13.413 -4.505 37 1HB SER 5 1HB SER 5 1.409 14.531 -2.913 38 2HB SER 5 2HB SER 5 2.329 16.030 -3.109 39 HG SER 5 HG SER 5 0.902 14.541 -5.059 40 H LYS 6 H LYS 6 2.854 15.987 -5.672 41 HA LYS 6 HA LYS 6 4.129 16.795 -7.482 42 1HB LYS 6 1HB LYS 6 3.947 18.414 -4.997 43 2HB LYS 6 2HB LYS 6 5.102 19.019 -6.175 44 1HG LYS 6 1HG LYS 6 3.076 20.150 -6.507 45 2HG LYS 6 2HG LYS 6 3.418 19.157 -7.916 46 1HD LYS 6 1HD LYS 6 1.724 17.469 -7.097 47 2HD LYS 6 2HD LYS 6 1.455 18.484 -5.669 48 1HE LYS 6 1HE LYS 6 -0.326 18.937 -7.202 49 2HE LYS 6 2HE LYS 6 0.730 20.357 -7.217 50 1HZ LYS 6 1HZ LYS 6 1.691 19.434 -9.317 51 2HZ LYS 6 2HZ LYS 6 0.640 18.167 -9.182 52 3HZ LYS 6 3HZ LYS 6 0.110 19.701 -9.456 53 H LEU 7 H LEU 7 6.010 15.696 -8.309 54 HA LEU 7 HA LEU 7 8.140 15.165 -8.632 55 1HB LEU 7 1HB LEU 7 8.680 17.791 -7.216 56 2HB LEU 7 2HB LEU 7 9.830 16.898 -8.209 57 HG LEU 7 HG LEU 7 7.195 18.028 -9.246 58 1HD1 LEU 7 1HD1 LEU 7 8.666 19.830 -8.461 59 2HD1 LEU 7 2HD1 LEU 7 10.008 19.170 -9.420 60 3HD1 LEU 7 3HD1 LEU 7 8.567 19.823 -10.229 61 1HD2 LEU 7 1HD2 LEU 7 9.667 17.002 -10.725 62 2HD2 LEU 7 2HD2 LEU 7 8.080 16.197 -10.682 63 3HD2 LEU 7 3HD2 LEU 7 8.269 17.764 -11.472 64 HA PRO 8 HA PRO 8 8.626 13.507 -4.347 65 1HB PRO 8 1HB PRO 8 8.177 10.868 -4.823 66 2HB PRO 8 2HB PRO 8 6.871 12.072 -4.718 67 1HG PRO 8 1HG PRO 8 8.113 11.024 -7.270 68 2HG PRO 8 2HG PRO 8 6.384 11.116 -6.833 69 1HD PRO 8 1HD PRO 8 7.643 13.055 -8.298 70 2HD PRO 8 2HD PRO 8 6.332 13.444 -7.150 71 H ASP 9 H ASP 9 9.793 10.697 -6.075 72 HA ASP 9 HA ASP 9 12.512 11.400 -5.322 73 1HB ASP 9 1HB ASP 9 11.692 9.073 -5.158 74 2HB ASP 9 2HB ASP 9 11.565 9.006 -6.926 75 H LEU 10 H LEU 10 10.545 11.693 -8.220 76 HA LEU 10 HA LEU 10 10.769 12.643 -10.120 77 1HB LEU 10 1HB LEU 10 12.436 14.029 -8.306 78 2HB LEU 10 2HB LEU 10 13.530 13.723 -9.645 79 HG LEU 10 HG LEU 10 10.945 15.414 -9.644 80 1HD1 LEU 10 1HD1 LEU 10 13.895 15.957 -9.712 81 2HD1 LEU 10 2HD1 LEU 10 12.573 17.166 -9.829 82 3HD1 LEU 10 3HD1 LEU 10 12.774 16.197 -8.347 83 1HD2 LEU 10 1HD2 LEU 10 12.992 14.839 -11.857 84 2HD2 LEU 10 2HD2 LEU 10 11.279 14.369 -11.882 85 3HD2 LEU 10 3HD2 LEU 10 11.720 16.084 -11.919 86 H LYS 11 H LYS 11 13.012 10.338 -9.327 87 HA LYS 11 HA LYS 11 14.451 10.233 -11.878 88 1HB LYS 11 1HB LYS 11 14.182 8.265 -9.583 89 2HB LYS 11 2HB LYS 11 15.001 7.872 -11.088 90 1HG LYS 11 1HG LYS 11 16.676 8.500 -9.524 91 2HG LYS 11 2HG LYS 11 16.608 9.760 -10.775 92 1HD LYS 11 1HD LYS 11 15.486 11.283 -9.308 93 2HD LYS 11 2HD LYS 11 15.028 9.930 -8.235 94 1HE LYS 11 1HE LYS 11 17.478 9.722 -7.626 95 2HE LYS 11 2HE LYS 11 17.692 11.300 -8.417 96 1HZ LYS 11 1HZ LYS 11 15.937 12.131 -6.949 97 2HZ LYS 11 2HZ LYS 11 15.805 10.677 -6.220 98 3HZ LYS 11 3HZ LYS 11 17.208 11.538 -6.065 99 H ASP 12 H ASP 12 11.455 8.829 -10.569 100 HA ASP 12 HA ASP 12 11.220 6.871 -12.693 101 1HB ASP 12 1HB ASP 12 9.136 7.902 -10.753 102 2HB ASP 12 2HB ASP 12 8.978 6.487 -11.812 103 H ALA 13 H ALA 13 10.097 6.947 -14.471 104 HA ALA 13 HA ALA 13 9.449 9.467 -15.714 105 1HB ALA 13 1HB ALA 13 10.446 7.595 -16.983 106 2HB ALA 13 2HB ALA 13 9.001 6.605 -16.671 107 3HB ALA 13 3HB ALA 13 8.881 8.070 -17.671 108 H GLU 14 H GLU 14 7.604 6.777 -14.438 109 HA GLU 14 HA GLU 14 5.030 7.685 -15.280 110 1HB GLU 14 1HB GLU 14 5.546 5.360 -14.363 111 2HB GLU 14 2HB GLU 14 5.572 6.081 -12.748 112 1HG GLU 14 1HG GLU 14 3.151 6.997 -13.977 113 2HG GLU 14 2HG GLU 14 3.311 5.308 -14.435 114 H ALA 15 H ALA 15 6.942 8.291 -12.350 115 HA ALA 15 HA ALA 15 4.966 9.803 -10.923 116 1HB ALA 15 1HB ALA 15 6.968 8.812 -9.846 117 2HB ALA 15 2HB ALA 15 8.002 9.972 -10.718 118 3HB ALA 15 3HB ALA 15 6.825 10.550 -9.526 119 H VAL 16 H VAL 16 7.438 10.617 -13.261 120 HA VAL 16 HA VAL 16 7.112 13.517 -13.039 121 HB VAL 16 HB VAL 16 8.846 11.701 -14.549 122 1HG1 VAL 16 1HG1 VAL 16 8.079 14.218 -15.974 123 2HG1 VAL 16 2HG1 VAL 16 9.464 13.156 -16.330 124 3HG1 VAL 16 3HG1 VAL 16 7.827 12.538 -16.535 125 1HG2 VAL 16 1HG2 VAL 16 9.593 12.893 -12.683 126 2HG2 VAL 16 2HG2 VAL 16 10.512 13.234 -14.159 127 3HG2 VAL 16 3HG2 VAL 16 9.333 14.436 -13.560 128 H GLN 17 H GLN 17 5.830 10.900 -15.035 129 HA GLN 17 HA GLN 17 4.436 12.589 -16.890 130 1HB GLN 17 1HB GLN 17 4.904 10.118 -17.263 131 2HB GLN 17 2HB GLN 17 3.666 9.754 -16.053 132 1HG GLN 17 1HG GLN 17 2.742 9.493 -18.247 133 2HG GLN 17 2HG GLN 17 1.954 10.847 -17.437 134 1HE2 GLN 17 2HE2 GLN 17 4.992 10.405 -19.396 135 2HE2 GLN 17 1HE2 GLN 17 4.646 11.728 -20.490 136 H LYS 18 H LYS 18 3.561 11.045 -13.823 137 HA LYS 18 HA LYS 18 0.805 11.792 -13.787 138 1HB LYS 18 1HB LYS 18 2.761 11.262 -11.516 139 2HB LYS 18 2HB LYS 18 1.018 11.443 -11.298 140 1HG LYS 18 1HG LYS 18 1.725 9.483 -13.411 141 2HG LYS 18 2HG LYS 18 2.398 9.053 -11.853 142 1HD LYS 18 1HD LYS 18 -0.542 9.759 -12.289 143 2HD LYS 18 2HD LYS 18 0.104 8.124 -12.473 144 1HE LYS 18 1HE LYS 18 0.127 9.749 -9.888 145 2HE LYS 18 2HE LYS 18 -0.907 8.368 -10.284 146 1HZ LYS 18 1HZ LYS 18 1.233 7.108 -10.582 147 2HZ LYS 18 2HZ LYS 18 1.991 8.355 -9.862 148 3HZ LYS 18 3HZ LYS 18 0.843 7.527 -9.024 149 H PHE 19 H PHE 19 3.627 13.370 -12.264 150 HA PHE 19 HA PHE 19 2.217 15.682 -11.360 151 1HB PHE 19 1HB PHE 19 4.303 15.397 -10.340 152 2HB PHE 19 2HB PHE 19 5.093 14.901 -11.833 153 HD1 PHE 19 HD1 PHE 19 5.847 16.462 -13.525 154 HD2 PHE 19 HD2 PHE 19 4.191 17.842 -9.792 155 HE1 PHE 19 HE1 PHE 19 6.740 18.745 -13.933 156 HE2 PHE 19 HE2 PHE 19 5.123 20.101 -10.222 157 HZ PHE 19 HZ PHE 19 6.426 20.504 -12.384 158 H PHE 20 H PHE 20 4.022 15.097 -14.394 159 HA PHE 20 HA PHE 20 3.913 17.661 -15.492 160 1HB PHE 20 1HB PHE 20 5.233 16.253 -16.714 161 2HB PHE 20 2HB PHE 20 4.118 14.901 -16.601 162 HD1 PHE 20 HD1 PHE 20 2.308 14.512 -18.075 163 HD2 PHE 20 HD2 PHE 20 4.952 17.883 -18.579 164 HE1 PHE 20 HE1 PHE 20 1.470 14.819 -20.354 165 HE2 PHE 20 HE2 PHE 20 4.105 18.188 -20.889 166 HZ PHE 20 HZ PHE 20 2.340 16.618 -21.777 167 H LEU 21 H LEU 21 1.592 14.915 -15.847 168 HA LEU 21 HA LEU 21 -0.407 16.423 -17.240 169 1HB LEU 21 1HB LEU 21 -0.109 13.697 -16.012 170 2HB LEU 21 2HB LEU 21 -1.733 14.305 -15.940 171 HG LEU 21 HG LEU 21 -0.271 14.085 -18.643 172 1HD1 LEU 21 1HD1 LEU 21 -2.057 12.099 -17.200 173 2HD1 LEU 21 2HD1 LEU 21 -1.464 11.978 -18.872 174 3HD1 LEU 21 3HD1 LEU 21 -0.322 11.914 -17.525 175 1HD2 LEU 21 1HD2 LEU 21 -3.154 14.524 -17.726 176 2HD2 LEU 21 2HD2 LEU 21 -2.140 15.611 -18.702 177 3HD2 LEU 21 3HD2 LEU 21 -2.693 14.065 -19.356 178 H GLU 22 H GLU 22 0.172 15.921 -13.778 179 HA GLU 22 HA GLU 22 -2.366 16.928 -13.003 180 1HB GLU 22 1HB GLU 22 -0.678 15.804 -11.499 181 2HB GLU 22 2HB GLU 22 0.213 17.340 -11.438 182 1HG GLU 22 1HG GLU 22 -1.699 18.450 -10.413 183 2HG GLU 22 2HG GLU 22 -2.736 17.045 -10.701 184 H GLU 23 H GLU 23 0.605 18.581 -14.088 185 HA GLU 23 HA GLU 23 -0.504 21.252 -13.503 186 1HB GLU 23 1HB GLU 23 2.170 20.141 -14.161 187 2HB GLU 23 2HB GLU 23 1.795 21.763 -14.767 188 1HG GLU 23 1HG GLU 23 2.798 21.881 -12.499 189 2HG GLU 23 2HG GLU 23 1.168 22.546 -12.551 190 H ILE 24 H ILE 24 -0.064 19.157 -16.323 191 HA ILE 24 HA ILE 24 -0.811 21.180 -18.292 192 HB ILE 24 HB ILE 24 -0.713 18.168 -18.288 193 1HG1 ILE 24 1HG1 ILE 24 0.405 20.256 -20.085 194 2HG1 ILE 24 2HG1 ILE 24 1.089 18.740 -19.503 195 1HG2 ILE 24 1HG2 ILE 24 -3.045 18.275 -18.867 196 2HG2 ILE 24 2HG2 ILE 24 -2.641 19.282 -20.278 197 3HG2 ILE 24 3HG2 ILE 24 -2.045 17.628 -20.104 198 1HD1 ILE 24 1HD1 ILE 24 -0.984 18.935 -21.744 199 2HD1 ILE 24 2HD1 ILE 24 0.751 18.809 -21.915 200 3HD1 ILE 24 3HD1 ILE 24 -0.116 17.486 -21.159 201 H GLN 25 H GLN 25 -2.664 18.906 -16.311 202 HA GLN 25 HA GLN 25 -5.227 19.959 -17.117 203 1HB GLN 25 1HB GLN 25 -4.425 18.226 -14.737 204 2HB GLN 25 2HB GLN 25 -6.086 18.498 -15.260 205 1HG GLN 25 1HG GLN 25 -5.734 17.245 -17.325 206 2HG GLN 25 2HG GLN 25 -4.012 17.054 -17.002 207 1HE2 GLN 25 2HE2 GLN 25 -3.447 16.034 -14.864 208 2HE2 GLN 25 1HE2 GLN 25 -4.404 14.639 -14.387 209 H LEU 26 H LEU 26 -3.344 20.414 -14.181 210 HA LEU 26 HA LEU 26 -5.292 22.073 -12.890 211 1HB LEU 26 1HB LEU 26 -3.642 21.090 -11.560 212 2HB LEU 26 2HB LEU 26 -2.317 21.812 -12.487 213 HG LEU 26 HG LEU 26 -2.460 22.699 -10.317 214 1HD1 LEU 26 1HD1 LEU 26 -1.752 24.137 -12.301 215 2HD1 LEU 26 2HD1 LEU 26 -3.321 24.959 -12.114 216 3HD1 LEU 26 3HD1 LEU 26 -2.176 24.955 -10.776 217 1HD2 LEU 26 1HD2 LEU 26 -4.832 22.408 -9.929 218 2HD2 LEU 26 2HD2 LEU 26 -4.314 24.079 -9.581 219 3HD2 LEU 26 3HD2 LEU 26 -5.205 23.715 -11.087 220 H GLY 27 H GLY 27 -2.582 22.936 -15.084 221 1HA GLY 27 1HA GLY 27 -3.017 25.774 -15.028 222 2HA GLY 27 2HA GLY 27 -2.239 24.883 -16.357 223 H GLU 28 H GLU 28 -3.958 23.519 -17.765 224 HA GLU 28 HA GLU 28 -5.625 25.383 -18.961 225 1HB GLU 28 1HB GLU 28 -6.758 23.529 -20.089 226 2HB GLU 28 2HB GLU 28 -4.999 23.368 -20.036 227 1HG GLU 28 1HG GLU 28 -5.473 21.272 -19.351 228 2HG GLU 28 2HG GLU 28 -5.501 22.062 -17.791 229 H GLU 29 H GLU 29 -6.470 23.411 -16.173 230 HA GLU 29 HA GLU 29 -9.280 24.115 -16.194 231 1HB GLU 29 1HB GLU 29 -8.495 22.124 -15.042 232 2HB GLU 29 2HB GLU 29 -7.540 23.121 -13.917 233 1HG GLU 29 1HG GLU 29 -9.539 22.384 -12.826 234 2HG GLU 29 2HG GLU 29 -9.631 24.131 -13.054 235 H LEU 30 H LEU 30 -6.373 25.515 -14.546 236 HA LEU 30 HA LEU 30 -7.920 27.558 -13.225 237 1HB LEU 30 1HB LEU 30 -4.979 27.156 -13.932 238 2HB LEU 30 2HB LEU 30 -5.511 28.751 -13.473 239 HG LEU 30 HG LEU 30 -5.673 26.308 -11.687 240 1HD1 LEU 30 1HD1 LEU 30 -3.389 27.237 -12.163 241 2HD1 LEU 30 2HD1 LEU 30 -3.948 28.795 -11.526 242 3HD1 LEU 30 3HD1 LEU 30 -3.880 27.374 -10.463 243 1HD2 LEU 30 1HD2 LEU 30 -6.348 29.251 -11.132 244 2HD2 LEU 30 2HD2 LEU 30 -7.493 27.894 -11.058 245 3HD2 LEU 30 3HD2 LEU 30 -6.174 28.003 -9.891 246 H LEU 31 H LEU 31 -6.442 27.314 -16.442 247 HA LEU 31 HA LEU 31 -7.040 30.030 -17.251 248 1HB LEU 31 1HB LEU 31 -6.670 27.414 -18.722 249 2HB LEU 31 2HB LEU 31 -7.271 28.838 -19.578 250 HG LEU 31 HG LEU 31 -5.374 30.128 -19.055 251 1HD1 LEU 31 1HD1 LEU 31 -4.918 29.185 -16.689 252 2HD1 LEU 31 2HD1 LEU 31 -4.096 27.855 -17.525 253 3HD1 LEU 31 3HD1 LEU 31 -3.575 29.538 -17.730 254 1HD2 LEU 31 1HD2 LEU 31 -4.626 27.272 -19.777 255 2HD2 LEU 31 2HD2 LEU 31 -5.224 28.521 -20.899 256 3HD2 LEU 31 3HD2 LEU 31 -3.623 28.695 -20.110 257 H ALA 32 H ALA 32 -8.841 27.011 -17.320 258 HA ALA 32 HA ALA 32 -11.215 27.926 -18.520 259 1HB ALA 32 1HB ALA 32 -10.599 25.491 -17.811 260 2HB ALA 32 2HB ALA 32 -11.294 25.916 -16.235 261 3HB ALA 32 3HB ALA 32 -12.295 25.992 -17.668 262 H GLN 33 H GLN 33 -9.894 28.731 -15.426 263 HA GLN 33 HA GLN 33 -12.418 29.836 -14.404 264 1HB GLN 33 1HB GLN 33 -10.265 28.553 -13.157 265 2HB GLN 33 2HB GLN 33 -9.949 30.267 -12.835 266 1HG GLN 33 1HG GLN 33 -12.378 30.423 -12.054 267 2HG GLN 33 2HG GLN 33 -12.479 28.665 -12.263 268 1HE2 GLN 33 2HE2 GLN 33 -10.471 31.193 -10.612 269 2HE2 GLN 33 1HE2 GLN 33 -10.170 30.233 -9.177 270 H GLY 34 H GLY 34 -9.329 30.740 -15.760 271 1HA GLY 34 1HA GLY 34 -9.511 32.812 -17.159 272 2HA GLY 34 2HA GLY 34 -9.993 33.649 -15.680 273 H ASP 35 H ASP 35 -7.592 31.249 -14.947 274 HA ASP 35 HA ASP 35 -5.673 33.499 -14.663 275 1HB ASP 35 1HB ASP 35 -6.312 32.004 -12.738 276 2HB ASP 35 2HB ASP 35 -5.272 30.794 -13.474 277 H TYR 36 H TYR 36 -5.501 33.429 -17.064 278 HA TYR 36 HA TYR 36 -3.924 31.618 -18.578 279 1HB TYR 36 1HB TYR 36 -3.332 33.789 -19.836 280 2HB TYR 36 2HB TYR 36 -4.975 33.155 -19.847 281 HD1 TYR 36 HD1 TYR 36 -2.851 35.763 -18.195 282 HD2 TYR 36 HD2 TYR 36 -6.832 34.383 -19.108 283 HE1 TYR 36 HE1 TYR 36 -3.788 37.886 -17.346 284 HE2 TYR 36 HE2 TYR 36 -7.769 36.501 -18.267 285 HH TYR 36 HH TYR 36 -5.690 39.118 -16.951 286 H GLU 37 H GLU 37 -2.848 34.049 -16.350 287 HA GLU 37 HA GLU 37 -0.092 33.847 -17.050 288 1HB GLU 37 1HB GLU 37 -1.308 34.730 -14.399 289 2HB GLU 37 2HB GLU 37 0.392 34.883 -14.877 290 1HG GLU 37 1HG GLU 37 -0.593 36.114 -17.012 291 2HG GLU 37 2HG GLU 37 -2.020 36.332 -15.984 292 H LYS 38 H LYS 38 -2.065 32.164 -14.697 293 HA LYS 38 HA LYS 38 0.115 30.537 -13.767 294 1HB LYS 38 1HB LYS 38 -2.879 30.426 -13.442 295 2HB LYS 38 2HB LYS 38 -2.002 28.941 -13.164 296 1HG LYS 38 1HG LYS 38 -1.097 31.500 -11.806 297 2HG LYS 38 2HG LYS 38 -2.364 30.496 -11.097 298 1HD LYS 38 1HD LYS 38 -1.013 28.577 -10.950 299 2HD LYS 38 2HD LYS 38 0.235 29.222 -12.029 300 1HE LYS 38 1HE LYS 38 0.797 30.920 -10.257 301 2HE LYS 38 2HE LYS 38 -0.303 30.045 -9.166 302 1HZ LYS 38 1HZ LYS 38 1.039 28.050 -9.673 303 2HZ LYS 38 2HZ LYS 38 2.077 28.964 -10.542 304 3HZ LYS 38 3HZ LYS 38 1.932 29.229 -8.921 305 H GLY 39 H GLY 39 -1.999 30.225 -16.602 306 1HA GLY 39 1HA GLY 39 -1.184 27.475 -17.135 307 2HA GLY 39 2HA GLY 39 -1.750 28.638 -18.361 308 H VAL 40 H VAL 40 0.247 30.704 -17.826 309 HA VAL 40 HA VAL 40 2.239 29.580 -19.569 310 HB VAL 40 HB VAL 40 2.314 32.166 -17.916 311 1HG1 VAL 40 1HG1 VAL 40 4.103 31.259 -20.190 312 2HG1 VAL 40 2HG1 VAL 40 3.999 32.910 -19.559 313 3HG1 VAL 40 3HG1 VAL 40 4.563 31.611 -18.519 314 1HG2 VAL 40 1HG2 VAL 40 1.353 31.676 -20.771 315 2HG2 VAL 40 2HG2 VAL 40 0.494 32.454 -19.441 316 3HG2 VAL 40 3HG2 VAL 40 1.846 33.260 -20.192 317 H ASP 41 H ASP 41 2.224 30.309 -16.119 318 HA ASP 41 HA ASP 41 4.906 29.477 -15.547 319 1HB ASP 41 1HB ASP 41 3.924 30.806 -13.893 320 2HB ASP 41 2HB ASP 41 2.406 29.900 -13.906 321 H HIS 42 H HIS 42 1.849 27.766 -15.107 322 HA HIS 42 HA HIS 42 3.171 25.365 -14.329 323 1HB HIS 42 1HB HIS 42 0.262 25.885 -14.952 324 2HB HIS 42 2HB HIS 42 0.879 24.280 -14.549 325 HD1 HIS 42 HD1 HIS 42 2.755 24.565 -12.315 326 HD2 HIS 42 HD2 HIS 42 -0.713 26.899 -12.571 327 HE1 HIS 42 HE1 HIS 42 2.214 25.369 -9.961 328 H LEU 43 H LEU 43 2.098 26.536 -17.501 329 HA LEU 43 HA LEU 43 2.483 23.862 -18.623 330 1HB LEU 43 1HB LEU 43 1.089 25.754 -19.698 331 2HB LEU 43 2HB LEU 43 2.651 26.392 -20.256 332 HG LEU 43 HG LEU 43 2.883 23.760 -20.977 333 1HD1 LEU 43 1HD1 LEU 43 0.608 23.198 -20.031 334 2HD1 LEU 43 2HD1 LEU 43 -0.118 24.359 -21.160 335 3HD1 LEU 43 3HD1 LEU 43 0.699 22.918 -21.782 336 1HD2 LEU 43 1HD2 LEU 43 1.310 25.896 -22.495 337 2HD2 LEU 43 2HD2 LEU 43 3.072 25.637 -22.539 338 3HD2 LEU 43 3HD2 LEU 43 1.980 24.417 -23.221 339 H THR 44 H THR 44 4.409 26.903 -18.178 340 HA THR 44 HA THR 44 6.722 26.153 -19.497 341 HB THR 44 HB THR 44 6.485 27.847 -17.031 342 HG1 THR 44 HG1 THR 44 5.652 28.642 -18.983 343 1HG2 THR 44 1HG2 THR 44 8.914 27.211 -18.759 344 2HG2 THR 44 2HG2 THR 44 8.796 28.593 -17.652 345 3HG2 THR 44 3HG2 THR 44 8.761 26.947 -17.005 346 H ASN 45 H ASN 45 5.597 25.219 -16.276 347 HA ASN 45 HA ASN 45 8.016 23.780 -15.605 348 1HB ASN 45 1HB ASN 45 7.172 23.088 -13.659 349 2HB ASN 45 2HB ASN 45 6.410 24.666 -13.934 350 1HD2 ASN 45 2HD2 ASN 45 5.598 21.156 -14.701 351 2HD2 ASN 45 1HD2 ASN 45 4.015 21.270 -13.976 352 H ALA 46 H ALA 46 4.935 22.836 -16.997 353 HA ALA 46 HA ALA 46 5.334 20.058 -17.144 354 1HB ALA 46 1HB ALA 46 3.197 21.150 -17.602 355 2HB ALA 46 2HB ALA 46 3.806 21.709 -19.176 356 3HB ALA 46 3HB ALA 46 3.647 19.980 -18.838 357 H ILE 47 H ILE 47 6.423 22.672 -19.338 358 HA ILE 47 HA ILE 47 7.806 20.989 -21.214 359 HB ILE 47 HB ILE 47 8.209 23.908 -20.484 360 1HG1 ILE 47 1HG1 ILE 47 7.478 24.200 -22.958 361 2HG1 ILE 47 2HG1 ILE 47 6.959 22.507 -22.902 362 1HG2 ILE 47 1HG2 ILE 47 9.860 22.400 -22.448 363 2HG2 ILE 47 2HG2 ILE 47 9.727 24.173 -22.375 364 3HG2 ILE 47 3HG2 ILE 47 10.391 23.302 -21.023 365 1HD1 ILE 47 1HD1 ILE 47 6.017 24.700 -21.043 366 2HD1 ILE 47 2HD1 ILE 47 5.162 24.214 -22.504 367 3HD1 ILE 47 3HD1 ILE 47 5.340 23.040 -21.200 368 H ALA 48 H ALA 48 8.782 22.448 -18.207 369 HA ALA 48 HA ALA 48 11.565 21.968 -18.472 370 1HB ALA 48 1HB ALA 48 10.604 23.580 -16.845 371 2HB ALA 48 2HB ALA 48 10.034 22.211 -15.858 372 3HB ALA 48 3HB ALA 48 11.768 22.455 -16.122 373 H VAL 49 H VAL 49 8.923 19.911 -17.399 374 HA VAL 49 HA VAL 49 10.889 17.793 -16.680 375 HB VAL 49 HB VAL 49 9.195 16.733 -15.549 376 1HG1 VAL 49 1HG1 VAL 49 10.289 18.882 -14.613 377 2HG1 VAL 49 2HG1 VAL 49 8.723 19.662 -14.890 378 3HG1 VAL 49 3HG1 VAL 49 8.847 18.275 -13.787 379 1HG2 VAL 49 1HG2 VAL 49 7.263 17.295 -17.158 380 2HG2 VAL 49 2HG2 VAL 49 6.924 17.242 -15.435 381 3HG2 VAL 49 3HG2 VAL 49 7.108 18.811 -16.243 382 H CYS 50 H CYS 50 8.861 18.772 -19.341 383 HA CYS 50 HA CYS 50 8.593 15.996 -20.334 384 1HB CYS 50 1HB CYS 50 6.750 17.429 -20.734 385 2HB CYS 50 2HB CYS 50 7.782 18.680 -21.468 386 HG CYS 50 HG CYS 50 6.393 17.492 -23.320 387 H GLY 51 H GLY 51 10.285 19.042 -21.318 388 1HA GLY 51 1HA GLY 51 12.439 19.240 -22.122 389 2HA GLY 51 2HA GLY 51 12.612 17.487 -22.221 390 H GLN 52 H GLN 52 9.726 18.182 -23.699 391 HA GLN 52 HA GLN 52 10.868 18.693 -26.469 392 1HB GLN 52 1HB GLN 52 10.263 16.222 -25.816 393 2HB GLN 52 2HB GLN 52 8.604 16.781 -25.969 394 1HG GLN 52 1HG GLN 52 9.229 15.961 -28.125 395 2HG GLN 52 2HG GLN 52 9.293 17.734 -28.263 396 1HE2 GLN 52 2HE2 GLN 52 10.642 17.234 -30.206 397 2HE2 GLN 52 1HE2 GLN 52 12.352 16.945 -29.953 398 HA PRO 53 HA PRO 53 7.649 21.663 -24.797 399 1HB PRO 53 1HB PRO 53 8.816 23.903 -26.098 400 2HB PRO 53 2HB PRO 53 9.010 23.440 -24.400 401 1HG PRO 53 1HG PRO 53 10.824 22.766 -26.709 402 2HG PRO 53 2HG PRO 53 11.273 23.336 -25.073 403 1HD PRO 53 1HD PRO 53 11.464 20.771 -25.631 404 2HD PRO 53 2HD PRO 53 10.693 21.251 -24.101 405 H GLN 54 H GLN 54 9.209 21.952 -27.935 406 HA GLN 54 HA GLN 54 6.943 22.980 -29.313 407 1HB GLN 54 1HB GLN 54 9.254 21.375 -30.516 408 2HB GLN 54 2HB GLN 54 8.179 22.499 -31.365 409 1HG GLN 54 1HG GLN 54 9.096 24.375 -29.908 410 2HG GLN 54 2HG GLN 54 10.273 23.235 -29.244 411 1HE2 GLN 54 2HE2 GLN 54 11.255 25.465 -30.425 412 2HE2 GLN 54 1HE2 GLN 54 11.972 25.052 -31.970 413 H GLN 55 H GLN 55 7.930 19.550 -28.983 414 HA GLN 55 HA GLN 55 5.825 18.637 -30.676 415 1HB GLN 55 1HB GLN 55 7.662 17.125 -30.018 416 2HB GLN 55 2HB GLN 55 7.101 17.190 -28.328 417 1HG GLN 55 1HG GLN 55 6.453 15.120 -29.442 418 2HG GLN 55 2HG GLN 55 5.054 16.029 -28.881 419 1HE2 GLN 55 2HE2 GLN 55 3.679 17.102 -30.482 420 2HE2 GLN 55 1HE2 GLN 55 3.693 16.536 -32.142 421 H LEU 56 H LEU 56 5.992 19.370 -27.211 422 HA LEU 56 HA LEU 56 3.355 18.549 -26.685 423 1HB LEU 56 1HB LEU 56 5.001 18.862 -24.861 424 2HB LEU 56 2HB LEU 56 5.024 20.601 -25.172 425 HG LEU 56 HG LEU 56 2.561 20.678 -24.633 426 1HD1 LEU 56 1HD1 LEU 56 2.647 17.855 -24.768 427 2HD1 LEU 56 2HD1 LEU 56 2.742 18.197 -23.059 428 3HD1 LEU 56 3HD1 LEU 56 1.378 18.802 -23.997 429 1HD2 LEU 56 1HD2 LEU 56 4.543 19.792 -22.527 430 2HD2 LEU 56 2HD2 LEU 56 4.221 21.443 -23.087 431 3HD2 LEU 56 3HD2 LEU 56 2.967 20.559 -22.197 432 H LEU 57 H LEU 57 4.684 21.763 -27.582 433 HA LEU 57 HA LEU 57 2.120 23.080 -27.407 434 1HB LEU 57 1HB LEU 57 4.383 23.951 -29.236 435 2HB LEU 57 2HB LEU 57 3.050 24.919 -28.602 436 HG LEU 57 HG LEU 57 5.545 23.977 -27.184 437 1HD1 LEU 57 1HD1 LEU 57 5.496 26.143 -28.374 438 2HD1 LEU 57 2HD1 LEU 57 4.358 26.702 -27.116 439 3HD1 LEU 57 3HD1 LEU 57 5.974 26.162 -26.668 440 1HD2 LEU 57 1HD2 LEU 57 3.030 25.002 -25.775 441 2HD2 LEU 57 2HD2 LEU 57 3.757 23.397 -25.551 442 3HD2 LEU 57 3HD2 LEU 57 4.629 24.836 -25.032 443 H GLN 58 H GLN 58 3.576 21.169 -29.949 444 HA GLN 58 HA GLN 58 1.525 21.719 -31.881 445 1HB GLN 58 1HB GLN 58 3.734 20.689 -32.467 446 2HB GLN 58 2HB GLN 58 3.247 19.211 -31.633 447 1HG GLN 58 1HG GLN 58 2.921 18.960 -34.015 448 2HG GLN 58 2HG GLN 58 1.361 18.918 -33.192 449 1HE2 GLN 58 2HE2 GLN 58 3.614 21.348 -34.677 450 2HE2 GLN 58 1HE2 GLN 58 2.341 22.258 -35.471 451 H VAL 59 H VAL 59 1.955 19.223 -29.371 452 HA VAL 59 HA VAL 59 -0.412 17.840 -29.933 453 HB VAL 59 HB VAL 59 1.656 17.215 -28.370 454 1HG1 VAL 59 1HG1 VAL 59 -0.526 17.871 -26.262 455 2HG1 VAL 59 2HG1 VAL 59 0.861 16.833 -25.973 456 3HG1 VAL 59 3HG1 VAL 59 1.083 18.527 -26.260 457 1HG2 VAL 59 1HG2 VAL 59 -1.058 16.149 -28.235 458 2HG2 VAL 59 2HG2 VAL 59 0.320 15.720 -29.315 459 3HG2 VAL 59 3HG2 VAL 59 0.438 15.410 -27.569 460 H LEU 60 H LEU 60 0.117 20.680 -28.006 461 HA LEU 60 HA LEU 60 -2.548 20.649 -26.774 462 1HB LEU 60 1HB LEU 60 -0.267 22.609 -27.131 463 2HB LEU 60 2HB LEU 60 -1.836 23.231 -26.673 464 HG LEU 60 HG LEU 60 -0.049 22.750 -24.906 465 1HD1 LEU 60 1HD1 LEU 60 -2.457 23.411 -24.408 466 2HD1 LEU 60 2HD1 LEU 60 -2.937 21.713 -24.592 467 3HD1 LEU 60 3HD1 LEU 60 -1.915 22.200 -23.231 468 1HD2 LEU 60 1HD2 LEU 60 0.421 20.421 -25.388 469 2HD2 LEU 60 2HD2 LEU 60 -0.179 20.617 -23.746 470 3HD2 LEU 60 3HD2 LEU 60 -1.239 19.943 -24.998 471 H GLN 61 H GLN 61 -0.992 22.083 -29.695 472 HA GLN 61 HA GLN 61 -3.312 23.603 -30.462 473 1HB GLN 61 1HB GLN 61 -1.028 24.034 -31.311 474 2HB GLN 61 2HB GLN 61 -1.097 22.555 -32.282 475 1HG GLN 61 1HG GLN 61 -2.978 24.941 -32.552 476 2HG GLN 61 2HG GLN 61 -1.516 24.694 -33.511 477 1HE2 GLN 61 2HE2 GLN 61 -4.485 24.808 -34.256 478 2HE2 GLN 61 1HE2 GLN 61 -4.706 23.359 -35.216 479 H GLN 62 H GLN 62 -2.312 20.288 -31.112 480 HA GLN 62 HA GLN 62 -4.262 19.688 -33.064 481 1HB GLN 62 1HB GLN 62 -3.210 17.759 -33.205 482 2HB GLN 62 2HB GLN 62 -2.099 18.364 -31.998 483 1HG GLN 62 1HG GLN 62 -2.691 16.193 -31.326 484 2HG GLN 62 2HG GLN 62 -3.549 17.258 -30.218 485 1HE2 GLN 62 2HE2 GLN 62 -5.474 16.223 -29.732 486 2HE2 GLN 62 1HE2 GLN 62 -6.523 15.471 -30.917 487 H THR 63 H THR 63 -4.409 19.513 -29.487 488 HA THR 63 HA THR 63 -7.077 18.326 -29.607 489 HB THR 63 HB THR 63 -5.613 17.717 -27.836 490 HG1 THR 63 HG1 THR 63 -8.023 19.034 -27.183 491 1HG2 THR 63 1HG2 THR 63 -5.739 20.624 -27.025 492 2HG2 THR 63 2HG2 THR 63 -5.518 19.341 -25.845 493 3HG2 THR 63 3HG2 THR 63 -4.359 19.512 -27.183 494 H LEU 64 H LEU 64 -5.717 21.548 -29.286 495 HA LEU 64 HA LEU 64 -8.158 22.825 -30.068 496 1HB LEU 64 1HB LEU 64 -9.107 22.372 -27.978 497 2HB LEU 64 2HB LEU 64 -7.595 22.587 -27.105 498 HG LEU 64 HG LEU 64 -8.628 25.056 -28.425 499 1HD1 LEU 64 1HD1 LEU 64 -10.126 23.775 -26.110 500 2HD1 LEU 64 2HD1 LEU 64 -10.356 25.429 -26.717 501 3HD1 LEU 64 3HD1 LEU 64 -10.757 24.047 -27.750 502 1HD2 LEU 64 1HD2 LEU 64 -6.673 25.035 -26.827 503 2HD2 LEU 64 2HD2 LEU 64 -8.014 26.015 -26.229 504 3HD2 LEU 64 3HD2 LEU 64 -7.740 24.388 -25.573 505 HA PRO 65 HA PRO 65 -4.697 25.596 -30.842 506 1HB PRO 65 1HB PRO 65 -6.013 27.858 -31.711 507 2HB PRO 65 2HB PRO 65 -5.712 26.396 -32.691 508 1HG PRO 65 1HG PRO 65 -8.218 27.097 -31.149 509 2HG PRO 65 2HG PRO 65 -8.092 26.526 -32.840 510 1HD PRO 65 1HD PRO 65 -8.685 24.832 -30.833 511 2HD PRO 65 2HD PRO 65 -7.564 24.304 -32.126 512 HA PRO 66 HA PRO 66 -5.132 27.521 -26.679 513 1HB PRO 66 1HB PRO 66 -2.628 27.564 -25.917 514 2HB PRO 66 2HB PRO 66 -3.491 26.041 -26.182 515 1HG PRO 66 1HG PRO 66 -1.607 27.326 -28.208 516 2HG PRO 66 2HG PRO 66 -1.591 25.664 -27.574 517 1HD PRO 66 1HD PRO 66 -2.834 26.469 -29.894 518 2HD PRO 66 2HD PRO 66 -3.387 25.107 -28.879 519 HA PRO 67 HA PRO 67 -4.346 31.719 -28.325 520 1HB PRO 67 1HB PRO 67 -6.025 33.136 -26.729 521 2HB PRO 67 2HB PRO 67 -6.625 32.109 -28.062 522 1HG PRO 67 1HG PRO 67 -6.541 31.445 -25.119 523 2HG PRO 67 2HG PRO 67 -7.866 31.174 -26.275 524 1HD PRO 67 1HD PRO 67 -6.035 29.227 -25.551 525 2HD PRO 67 2HD PRO 67 -6.861 29.260 -27.134 526 H VAL 68 H VAL 68 -4.551 30.772 -24.935 527 HA VAL 68 HA VAL 68 -3.027 32.768 -23.658 528 HB VAL 68 HB VAL 68 -3.507 29.816 -22.958 529 1HG1 VAL 68 1HG1 VAL 68 -1.939 31.959 -21.524 530 2HG1 VAL 68 2HG1 VAL 68 -2.662 30.569 -20.685 531 3HG1 VAL 68 3HG1 VAL 68 -1.451 30.296 -21.942 532 1HG2 VAL 68 1HG2 VAL 68 -4.633 32.485 -21.988 533 2HG2 VAL 68 2HG2 VAL 68 -5.507 31.235 -22.889 534 3HG2 VAL 68 3HG2 VAL 68 -4.978 30.919 -21.231 535 H PHE 69 H PHE 69 -2.090 29.750 -25.146 536 HA PHE 69 HA PHE 69 0.649 29.554 -24.647 537 1HB PHE 69 1HB PHE 69 -0.053 27.815 -25.940 538 2HB PHE 69 2HB PHE 69 -1.159 28.860 -26.813 539 HD1 PHE 69 HD1 PHE 69 -0.631 30.087 -28.781 540 HD2 PHE 69 HD2 PHE 69 2.203 27.434 -26.931 541 HE1 PHE 69 HE1 PHE 69 0.708 30.095 -30.866 542 HE2 PHE 69 HE2 PHE 69 3.554 27.447 -29.055 543 HZ PHE 69 HZ PHE 69 2.806 28.767 -30.994 544 H GLN 70 H GLN 70 -0.931 31.715 -26.949 545 HA GLN 70 HA GLN 70 1.424 32.788 -28.159 546 1HB GLN 70 1HB GLN 70 -0.993 33.128 -28.904 547 2HB GLN 70 2HB GLN 70 -1.125 34.373 -27.644 548 1HG GLN 70 1HG GLN 70 0.866 35.537 -28.711 549 2HG GLN 70 2HG GLN 70 0.740 34.377 -30.044 550 1HE2 GLN 70 2HE2 GLN 70 -1.998 34.151 -30.438 551 2HE2 GLN 70 1HE2 GLN 70 -2.668 35.717 -30.862 552 H MET 71 H MET 71 -0.308 33.656 -25.247 553 HA MET 71 HA MET 71 1.286 35.961 -24.542 554 1HB MET 71 1HB MET 71 -0.608 34.408 -22.720 555 2HB MET 71 2HB MET 71 -0.021 36.061 -22.554 556 1HG MET 71 1HG MET 71 -1.210 36.441 -24.890 557 2HG MET 71 2HG MET 71 -2.106 34.980 -24.469 558 1HE MET 71 1HE MET 71 -3.631 34.787 -22.308 559 2HE MET 71 2HE MET 71 -2.332 35.389 -21.243 560 3HE MET 71 3HE MET 71 -3.943 36.143 -21.200 561 H LEU 72 H LEU 72 1.327 32.457 -23.815 562 HA LEU 72 HA LEU 72 3.331 32.604 -21.820 563 1HB LEU 72 1HB LEU 72 2.868 30.396 -21.740 564 2HB LEU 72 2HB LEU 72 1.886 30.563 -23.160 565 HG LEU 72 HG LEU 72 3.914 29.989 -24.556 566 1HD1 LEU 72 1HD1 LEU 72 5.163 29.524 -21.796 567 2HD1 LEU 72 2HD1 LEU 72 5.754 28.757 -23.279 568 3HD1 LEU 72 3HD1 LEU 72 5.850 30.494 -23.113 569 1HD2 LEU 72 1HD2 LEU 72 2.237 28.295 -23.847 570 2HD2 LEU 72 2HD2 LEU 72 3.859 27.612 -23.942 571 3HD2 LEU 72 3HD2 LEU 72 3.163 28.028 -22.360 572 H LEU 73 H LEU 73 3.412 32.453 -25.320 573 HA LEU 73 HA LEU 73 6.298 32.414 -25.411 574 1HB LEU 73 1HB LEU 73 4.465 33.532 -27.573 575 2HB LEU 73 2HB LEU 73 6.138 33.013 -27.766 576 HG LEU 73 HG LEU 73 3.712 31.213 -27.375 577 1HD1 LEU 73 1HD1 LEU 73 5.631 31.705 -29.633 578 2HD1 LEU 73 2HD1 LEU 73 4.300 30.519 -29.609 579 3HD1 LEU 73 3HD1 LEU 73 3.941 32.257 -29.509 580 1HD2 LEU 73 1HD2 LEU 73 6.622 30.376 -27.610 581 2HD2 LEU 73 2HD2 LEU 73 5.613 30.194 -26.156 582 3HD2 LEU 73 3HD2 LEU 73 5.195 29.314 -27.629 583 H THR 74 H THR 74 4.052 34.973 -25.071 584 HA THR 74 HA THR 74 6.088 37.008 -25.625 585 HB THR 74 HB THR 74 3.536 37.118 -26.245 586 HG1 THR 74 HG1 THR 74 5.170 38.525 -26.883 587 1HG2 THR 74 1HG2 THR 74 2.904 37.279 -23.764 588 2HG2 THR 74 2HG2 THR 74 3.754 38.835 -23.747 589 3HG2 THR 74 3HG2 THR 74 2.341 38.603 -24.808 590 H LYS 75 H LYS 75 4.800 35.285 -22.849 591 HA LYS 75 HA LYS 75 5.651 37.256 -20.890 592 1HB LYS 75 1HB LYS 75 4.655 34.422 -21.038 593 2HB LYS 75 2HB LYS 75 5.360 34.967 -19.523 594 1HG LYS 75 1HG LYS 75 3.235 36.665 -20.863 595 2HG LYS 75 2HG LYS 75 2.719 35.209 -20.047 596 1HD LYS 75 1HD LYS 75 4.394 37.335 -18.667 597 2HD LYS 75 2HD LYS 75 2.619 37.304 -18.671 598 1HE LYS 75 1HE LYS 75 2.663 35.017 -17.639 599 2HE LYS 75 2HE LYS 75 4.427 35.140 -17.504 600 1HZ LYS 75 1HZ LYS 75 4.081 37.101 -16.128 601 2HZ LYS 75 2HZ LYS 75 2.448 36.878 -16.190 602 3HZ LYS 75 3HZ LYS 75 3.395 35.747 -15.488 603 H LEU 76 H LEU 76 7.242 34.697 -22.681 604 HA LEU 76 HA LEU 76 9.423 34.264 -20.902 605 1HB LEU 76 1HB LEU 76 9.073 33.855 -23.880 606 2HB LEU 76 2HB LEU 76 10.555 33.402 -23.035 607 HG LEU 76 HG LEU 76 7.775 32.276 -22.358 608 1HD1 LEU 76 1HD1 LEU 76 8.339 31.857 -24.707 609 2HD1 LEU 76 2HD1 LEU 76 9.884 31.146 -24.212 610 3HD1 LEU 76 3HD1 LEU 76 8.348 30.381 -23.734 611 1HD2 LEU 76 1HD2 LEU 76 10.597 31.275 -21.757 612 2HD2 LEU 76 2HD2 LEU 76 9.480 31.981 -20.569 613 3HD2 LEU 76 3HD2 LEU 76 9.080 30.447 -21.355 614 HA PRO 77 HA PRO 77 12.064 37.562 -22.987 615 1HB PRO 77 1HB PRO 77 11.155 39.156 -25.011 616 2HB PRO 77 2HB PRO 77 11.689 37.478 -25.303 617 1HG PRO 77 1HG PRO 77 8.838 38.427 -24.823 618 2HG PRO 77 2HG PRO 77 9.447 37.473 -26.210 619 1HD PRO 77 1HD PRO 77 8.340 36.246 -24.057 620 2HD PRO 77 2HD PRO 77 9.805 35.573 -24.843 621 H THR 78 H THR 78 12.013 40.111 -23.172 622 HA THR 78 HA THR 78 9.838 41.357 -21.601 623 HB THR 78 HB THR 78 11.750 40.460 -20.181 624 HG1 THR 78 HG1 THR 78 11.346 42.120 -18.763 625 1HG2 THR 78 1HG2 THR 78 13.728 41.293 -21.298 626 2HG2 THR 78 2HG2 THR 78 13.213 42.978 -20.982 627 3HG2 THR 78 3HG2 THR 78 13.599 41.892 -19.647 628 H ILE 79 H ILE 79 12.946 41.827 -23.098 629 HA ILE 79 HA ILE 79 12.821 44.494 -23.810 630 HB ILE 79 HB ILE 79 14.107 42.328 -25.530 631 1HG1 ILE 79 1HG1 ILE 79 16.202 43.405 -24.098 632 2HG1 ILE 79 2HG1 ILE 79 14.938 43.436 -22.869 633 1HG2 ILE 79 1HG2 ILE 79 14.695 45.299 -25.272 634 2HG2 ILE 79 2HG2 ILE 79 15.669 44.133 -26.197 635 3HG2 ILE 79 3HG2 ILE 79 14.008 44.455 -26.680 636 1HD1 ILE 79 1HD1 ILE 79 14.540 40.952 -23.462 637 2HD1 ILE 79 2HD1 ILE 79 15.957 41.092 -24.509 638 3HD1 ILE 79 3HD1 ILE 79 16.120 41.347 -22.753 639 H SER 80 H SER 80 11.609 41.764 -25.687 640 HA SER 80 HA SER 80 10.765 43.074 -27.987 641 1HB SER 80 1HB SER 80 9.274 40.801 -26.587 642 2HB SER 80 2HB SER 80 9.287 41.173 -28.323 643 HG SER 80 HG SER 80 10.758 39.497 -27.770 644 H GLN 81 H GLN 81 8.910 42.606 -24.934 645 HA GLN 81 HA GLN 81 6.612 44.005 -25.821 646 1HB GLN 81 1HB GLN 81 7.593 43.693 -22.952 647 2HB GLN 81 2HB GLN 81 5.986 44.187 -23.490 648 1HG GLN 81 1HG GLN 81 5.521 41.993 -23.173 649 2HG GLN 81 2HG GLN 81 6.074 41.872 -24.841 650 1HE2 GLN 81 2HE2 GLN 81 6.539 40.813 -21.598 651 2HE2 GLN 81 1HE2 GLN 81 8.016 39.909 -21.869 652 H ARG 82 H ARG 82 9.601 45.106 -24.318 653 HA ARG 82 HA ARG 82 8.747 47.794 -23.833 654 1HB ARG 82 1HB ARG 82 11.577 46.781 -24.296 655 2HB ARG 82 2HB ARG 82 11.121 48.389 -23.744 656 1HG ARG 82 1HG ARG 82 9.986 47.407 -21.766 657 2HG ARG 82 2HG ARG 82 10.520 45.790 -22.269 658 1HD ARG 82 1HD ARG 82 12.884 46.533 -22.145 659 2HD ARG 82 2HD ARG 82 12.339 48.159 -21.671 660 HE ARG 82 HE ARG 82 11.260 46.168 -19.906 661 1HH1 ARG 82 1HH1 ARG 82 14.275 47.864 -20.652 662 2HH1 ARG 82 2HH1 ARG 82 14.906 47.764 -19.032 663 1HH2 ARG 82 2HH2 ARG 82 12.078 46.035 -17.760 664 2HH2 ARG 82 1HH2 ARG 82 13.635 46.708 -17.364 665 H ILE 83 H ILE 83 10.225 46.282 -26.782 666 HA ILE 83 HA ILE 83 10.630 48.748 -28.122 667 HB ILE 83 HB ILE 83 9.820 46.122 -29.518 668 1HG1 ILE 83 1HG1 ILE 83 11.377 45.323 -28.262 669 2HG1 ILE 83 2HG1 ILE 83 12.129 45.671 -29.833 670 1HG2 ILE 83 1HG2 ILE 83 9.862 48.128 -30.993 671 2HG2 ILE 83 2HG2 ILE 83 11.543 48.429 -30.508 672 3HG2 ILE 83 3HG2 ILE 83 11.112 46.961 -31.403 673 1HD1 ILE 83 1HD1 ILE 83 13.155 47.724 -28.770 674 2HD1 ILE 83 2HD1 ILE 83 12.562 47.115 -27.194 675 3HD1 ILE 83 3HD1 ILE 83 13.727 46.166 -28.136 676 H VAL 84 H VAL 84 7.952 46.429 -28.267 677 HA VAL 84 HA VAL 84 6.273 48.053 -29.913 678 HB VAL 84 HB VAL 84 5.436 45.900 -27.909 679 1HG1 VAL 84 1HG1 VAL 84 3.965 47.041 -30.324 680 2HG1 VAL 84 2HG1 VAL 84 3.443 45.632 -29.378 681 3HG1 VAL 84 3HG1 VAL 84 3.494 47.226 -28.621 682 1HG2 VAL 84 1HG2 VAL 84 6.074 45.658 -30.886 683 2HG2 VAL 84 2HG2 VAL 84 7.050 44.991 -29.564 684 3HG2 VAL 84 3HG2 VAL 84 5.428 44.363 -29.858 685 H SER 85 H SER 85 6.463 47.876 -26.419 686 HA SER 85 HA SER 85 4.381 49.831 -26.034 687 1HB SER 85 1HB SER 85 6.441 48.812 -24.061 688 2HB SER 85 2HB SER 85 4.934 49.676 -23.688 689 HG SER 85 HG SER 85 5.231 47.105 -24.839 690 H ALA 86 H ALA 86 6.169 50.910 -27.811 691 HA ALA 86 HA ALA 86 6.721 53.442 -26.693 692 1HB ALA 86 1HB ALA 86 9.188 51.689 -27.265 693 2HB ALA 86 2HB ALA 86 9.239 53.443 -26.992 694 3HB ALA 86 3HB ALA 86 8.747 52.361 -25.681 695 H GLN 87 H GLN 87 7.683 51.137 -29.212 696 HA GLN 87 HA GLN 87 7.877 53.125 -31.300 697 1HB GLN 87 1HB GLN 87 9.238 51.021 -31.226 698 2HB GLN 87 2HB GLN 87 7.769 50.093 -31.563 699 1HG GLN 87 1HG GLN 87 7.536 51.360 -33.725 700 2HG GLN 87 2HG GLN 87 9.003 52.261 -33.321 701 1HE2 GLN 87 2HE2 GLN 87 7.835 48.840 -33.574 702 2HE2 GLN 87 1HE2 GLN 87 9.305 48.234 -34.309 703 H SER 88 H SER 88 5.678 53.809 -30.394 704 HA SER 88 HA SER 88 3.541 53.489 -32.214 705 1HB SER 88 1HB SER 88 3.327 51.985 -29.560 706 2HB SER 88 2HB SER 88 1.904 52.623 -30.403 707 HG SER 88 HG SER 88 3.778 50.888 -31.614 708 H LEU 89 H LEU 89 4.595 54.202 -28.845 709 HA LEU 89 HA LEU 89 2.968 56.671 -28.823 710 1HB LEU 89 1HB LEU 89 3.139 56.634 -26.485 711 2HB LEU 89 2HB LEU 89 2.805 54.970 -26.993 712 HG LEU 89 HG LEU 89 5.631 55.251 -26.738 713 1HD1 LEU 89 1HD1 LEU 89 5.192 57.219 -25.266 714 2HD1 LEU 89 2HD1 LEU 89 4.112 56.220 -24.279 715 3HD1 LEU 89 3HD1 LEU 89 5.844 55.844 -24.367 716 1HD2 LEU 89 1HD2 LEU 89 3.482 53.911 -25.001 717 2HD2 LEU 89 2HD2 LEU 89 4.301 53.169 -26.390 718 3HD2 LEU 89 3HD2 LEU 89 5.210 53.562 -24.909 719 H GLY 90 H GLY 90 5.160 56.524 -30.550 720 1HA GLY 90 1HA GLY 90 7.249 58.294 -29.349 721 2HA GLY 90 2HA GLY 90 7.364 57.369 -30.852 722 H GLU 91 H GLU 91 8.142 59.805 -31.185 723 HA GLU 91 HA GLU 91 6.028 61.694 -31.820 724 1HB GLU 91 1HB GLU 91 8.800 61.862 -31.304 725 2HB GLU 91 2HB GLU 91 8.680 62.211 -33.028 726 1HG GLU 91 1HG GLU 91 8.534 64.273 -31.804 727 2HG GLU 91 2HG GLU 91 6.928 63.956 -32.469 728 H ASP 92 H ASP 92 6.426 62.794 -34.201 729 HA ASP 92 HA ASP 92 5.380 60.854 -36.023 730 1HB ASP 92 1HB ASP 92 5.353 62.743 -37.615 731 2HB ASP 92 2HB ASP 92 4.625 63.158 -36.058 732 H ASP 93 H ASP 93 6.332 60.465 -38.253 733 HA ASP 93 HA ASP 93 8.959 59.426 -38.006 734 1HB ASP 93 1HB ASP 93 7.257 59.875 -40.493 735 2HB ASP 93 2HB ASP 93 8.672 58.818 -40.380 736 H VAL 94 H VAL 94 10.799 59.953 -39.530 737 HA VAL 94 HA VAL 94 10.922 62.767 -40.448 738 HB VAL 94 HB VAL 94 12.982 61.391 -38.662 739 1HG1 VAL 94 1HG1 VAL 94 12.953 64.169 -39.924 740 2HG1 VAL 94 2HG1 VAL 94 14.133 63.598 -38.726 741 3HG1 VAL 94 3HG1 VAL 94 14.072 62.845 -40.321 742 1HG2 VAL 94 1HG2 VAL 94 11.130 63.749 -38.100 743 2HG2 VAL 94 2HG2 VAL 94 11.090 62.160 -37.304 744 3HG2 VAL 94 3HG2 VAL 94 12.470 63.230 -37.057 745 H GLU 95 H GLU 95 11.934 62.918 -42.360 746 HA GLU 95 HA GLU 95 12.960 62.455 -44.258 747 1HB GLU 95 1HB GLU 95 14.855 61.772 -42.674 748 2HB GLU 95 2HB GLU 95 14.382 60.096 -42.976 749 1HG GLU 95 1HG GLU 95 16.179 60.627 -44.465 750 2HG GLU 95 2HG GLU 95 14.713 60.538 -45.452 751 1H GLY 1 1H GLY 1 -15.040 19.878 -13.458 752 2H GLY 1 2H GLY 1 -15.125 21.286 -12.594 753 3H GLY 1 3H GLY 1 -15.966 21.128 -14.009 754 1HA GLY 1 1HA GLY 1 -14.043 22.478 -14.326 755 2HA GLY 1 2HA GLY 1 -13.068 21.143 -13.687 756 HA PRO 2 HA PRO 2 -14.490 20.007 -18.167 757 1HB PRO 2 1HB PRO 2 -14.208 21.943 -20.023 758 2HB PRO 2 2HB PRO 2 -15.605 21.921 -18.915 759 1HG PRO 2 1HG PRO 2 -13.054 23.530 -18.601 760 2HG PRO 2 2HG PRO 2 -14.735 24.126 -18.518 761 1HD PRO 2 1HD PRO 2 -13.265 23.429 -16.301 762 2HD PRO 2 2HD PRO 2 -15.041 23.209 -16.373 763 H ARG 3 H ARG 3 -12.426 19.047 -17.185 764 HA ARG 3 HA ARG 3 -9.874 19.927 -17.757 765 1HB ARG 3 1HB ARG 3 -11.035 17.176 -17.310 766 2HB ARG 3 2HB ARG 3 -9.306 17.376 -17.658 767 1HG ARG 3 1HG ARG 3 -8.930 18.751 -15.766 768 2HG ARG 3 2HG ARG 3 -10.655 18.992 -15.465 769 1HD ARG 3 1HD ARG 3 -9.528 17.403 -13.891 770 2HD ARG 3 2HD ARG 3 -10.963 16.776 -14.678 771 HE ARG 3 HE ARG 3 -8.096 16.092 -15.297 772 1HH1 ARG 3 1HH1 ARG 3 -11.529 15.215 -15.729 773 2HH1 ARG 3 2HH1 ARG 3 -11.158 13.605 -16.267 774 1HH2 ARG 3 1HH2 ARG 3 -7.656 14.028 -15.997 775 2HH2 ARG 3 2HH2 ARG 3 -8.930 12.919 -16.457 776 H LEU 4 H LEU 4 -8.367 19.578 -19.250 777 HA LEU 4 HA LEU 4 -9.073 19.521 -22.047 778 1HB LEU 4 1HB LEU 4 -7.486 21.053 -21.121 779 2HB LEU 4 2HB LEU 4 -6.491 19.737 -20.471 780 HG LEU 4 HG LEU 4 -6.847 20.107 -23.457 781 1HD1 LEU 4 1HD1 LEU 4 -6.036 22.257 -22.410 782 2HD1 LEU 4 2HD1 LEU 4 -4.687 21.351 -21.688 783 3HD1 LEU 4 3HD1 LEU 4 -4.836 21.485 -23.447 784 1HD2 LEU 4 1HD2 LEU 4 -4.683 18.822 -21.693 785 2HD2 LEU 4 2HD2 LEU 4 -5.674 17.998 -22.918 786 3HD2 LEU 4 3HD2 LEU 4 -4.459 19.168 -23.408 787 H SER 5 H SER 5 -7.044 17.514 -19.904 788 HA SER 5 HA SER 5 -5.721 15.847 -21.446 789 1HB SER 5 1HB SER 5 -6.091 14.055 -19.669 790 2HB SER 5 2HB SER 5 -5.385 15.615 -19.231 791 HG SER 5 HG SER 5 -6.952 15.156 -17.731 792 H ARG 6 H ARG 6 -6.262 15.195 -23.306 793 HA ARG 6 HA ARG 6 -8.208 12.995 -23.724 794 1HB ARG 6 1HB ARG 6 -7.993 15.623 -25.265 795 2HB ARG 6 2HB ARG 6 -8.618 14.146 -26.024 796 1HG ARG 6 1HG ARG 6 -10.443 13.992 -24.489 797 2HG ARG 6 2HG ARG 6 -9.766 15.248 -23.448 798 1HD ARG 6 1HD ARG 6 -10.009 16.899 -25.361 799 2HD ARG 6 2HD ARG 6 -10.767 15.617 -26.309 800 HE ARG 6 HE ARG 6 -12.730 15.944 -25.179 801 1HH1 ARG 6 1HH1 ARG 6 -10.083 17.359 -23.259 802 2HH1 ARG 6 2HH1 ARG 6 -11.143 17.954 -22.014 803 1HH2 ARG 6 1HH2 ARG 6 -14.101 16.660 -23.447 804 2HH2 ARG 6 2HH2 ARG 6 -13.413 17.542 -22.109 805 H LEU 7 H LEU 7 -5.830 15.157 -25.335 806 HA LEU 7 HA LEU 7 -4.660 13.287 -27.074 807 1HB LEU 7 1HB LEU 7 -2.786 14.761 -27.223 808 2HB LEU 7 2HB LEU 7 -4.279 15.700 -27.259 809 HG LEU 7 HG LEU 7 -3.772 15.722 -24.605 810 1HD1 LEU 7 1HD1 LEU 7 -1.527 14.541 -25.054 811 2HD1 LEU 7 2HD1 LEU 7 -1.099 15.837 -26.076 812 3HD1 LEU 7 3HD1 LEU 7 -1.228 16.171 -24.368 813 1HD2 LEU 7 1HD2 LEU 7 -2.737 17.819 -26.436 814 2HD2 LEU 7 2HD2 LEU 7 -4.251 17.729 -25.504 815 3HD2 LEU 7 3HD2 LEU 7 -2.711 17.919 -24.673 816 H LEU 8 H LEU 8 -3.780 14.035 -23.665 817 HA LEU 8 HA LEU 8 -1.483 12.415 -23.673 818 1HB LEU 8 1HB LEU 8 -3.125 13.230 -21.323 819 2HB LEU 8 2HB LEU 8 -1.571 12.390 -21.250 820 HG LEU 8 HG LEU 8 -1.019 14.560 -20.770 821 1HD1 LEU 8 1HD1 LEU 8 -0.166 14.200 -23.638 822 2HD1 LEU 8 2HD1 LEU 8 0.360 15.490 -22.586 823 3HD1 LEU 8 3HD1 LEU 8 0.668 13.794 -22.179 824 1HD2 LEU 8 1HD2 LEU 8 -2.942 15.483 -22.831 825 2HD2 LEU 8 2HD2 LEU 8 -2.898 15.842 -21.144 826 3HD2 LEU 8 3HD2 LEU 8 -1.708 16.557 -22.244 827 H SER 9 H SER 9 -4.692 11.252 -23.888 828 HA SER 9 HA SER 9 -4.230 8.725 -22.558 829 1HB SER 9 1HB SER 9 -6.494 9.713 -23.074 830 2HB SER 9 2HB SER 9 -6.189 9.387 -24.795 831 HG SER 9 HG SER 9 -5.779 7.153 -24.048 832 H TYR 10 H TYR 10 -2.953 10.123 -25.400 833 HA TYR 10 HA TYR 10 -2.714 7.850 -27.123 834 1HB TYR 10 1HB TYR 10 -1.417 9.328 -28.458 835 2HB TYR 10 2HB TYR 10 -2.776 10.238 -27.832 836 HD1 TYR 10 HD1 TYR 10 -0.777 10.405 -24.962 837 HD2 TYR 10 HD2 TYR 10 -0.686 11.715 -29.095 838 HE1 TYR 10 HE1 TYR 10 0.743 12.130 -24.356 839 HE2 TYR 10 HE2 TYR 10 0.863 13.463 -28.458 840 HH TYR 10 HH TYR 10 2.117 14.438 -26.746 841 H ALA 11 H ALA 11 -1.189 8.330 -24.148 842 HA ALA 11 HA ALA 11 1.066 6.602 -24.830 843 1HB ALA 11 1HB ALA 11 1.863 8.910 -25.411 844 2HB ALA 11 2HB ALA 11 1.392 9.470 -23.799 845 3HB ALA 11 3HB ALA 11 2.704 8.288 -23.980 Start of MODEL 6 1 1H ARG 1 1H ARG 1 -4.129 4.920 1.518 2 2H ARG 1 2H ARG 1 -3.518 4.530 0.051 3 3H ARG 1 3H ARG 1 -3.707 3.351 1.202 4 HA ARG 1 HA ARG 1 -2.077 4.375 2.591 5 1HB ARG 1 1HB ARG 1 -1.092 4.015 -0.277 6 2HB ARG 1 2HB ARG 1 -0.061 4.079 1.161 7 1HG ARG 1 1HG ARG 1 -1.252 2.086 2.090 8 2HG ARG 1 2HG ARG 1 -2.151 1.945 0.562 9 1HD ARG 1 1HD ARG 1 -0.021 1.711 -0.675 10 2HD ARG 1 2HD ARG 1 0.880 1.867 0.851 11 HE ARG 1 HE ARG 1 -1.015 -0.239 1.110 12 1HH1 ARG 1 1HH1 ARG 1 2.006 0.485 -0.595 13 2HH1 ARG 1 2HH1 ARG 1 2.523 -1.177 -0.670 14 1HH2 ARG 1 1HH2 ARG 1 -0.337 -2.434 1.009 15 2HH2 ARG 1 2HH2 ARG 1 1.170 -2.852 0.250 16 H ALA 2 H ALA 2 -0.005 5.948 2.220 17 HA ALA 2 HA ALA 2 -1.112 8.593 2.192 18 1HB ALA 2 1HB ALA 2 0.755 7.882 3.650 19 2HB ALA 2 2HB ALA 2 1.786 7.647 2.221 20 3HB ALA 2 3HB ALA 2 1.211 9.272 2.652 21 H GLY 3 H GLY 3 0.169 10.368 0.938 22 1HA GLY 3 1HA GLY 3 0.864 9.667 -1.845 23 2HA GLY 3 2HA GLY 3 -0.513 10.759 -1.561 24 H LEU 4 H LEU 4 1.461 11.897 -2.953 25 HA LEU 4 HA LEU 4 2.511 13.919 -1.146 26 1HB LEU 4 1HB LEU 4 4.150 11.812 -1.301 27 2HB LEU 4 2HB LEU 4 4.617 12.564 -2.810 28 HG LEU 4 HG LEU 4 6.122 13.243 -1.160 29 1HD1 LEU 4 1HD1 LEU 4 5.433 15.094 -2.632 30 2HD1 LEU 4 2HD1 LEU 4 4.255 15.626 -1.405 31 3HD1 LEU 4 3HD1 LEU 4 5.989 15.653 -1.048 32 1HD2 LEU 4 1HD2 LEU 4 4.851 12.644 0.847 33 2HD2 LEU 4 2HD2 LEU 4 5.620 14.229 0.993 34 3HD2 LEU 4 3HD2 LEU 4 3.878 14.123 0.687 35 H SER 5 H SER 5 3.089 12.625 -4.426 36 HA SER 5 HA SER 5 2.896 13.587 -6.555 37 1HB SER 5 1HB SER 5 1.025 15.609 -5.270 38 2HB SER 5 2HB SER 5 1.106 15.128 -6.969 39 HG SER 5 HG SER 5 0.488 13.028 -6.319 40 H LYS 6 H LYS 6 2.935 16.066 -7.615 41 HA LYS 6 HA LYS 6 4.354 17.722 -8.184 42 1HB LYS 6 1HB LYS 6 4.429 18.099 -5.166 43 2HB LYS 6 2HB LYS 6 5.214 19.174 -6.318 44 1HG LYS 6 1HG LYS 6 3.185 20.137 -5.650 45 2HG LYS 6 2HG LYS 6 3.122 19.744 -7.369 46 1HD LYS 6 1HD LYS 6 1.695 17.811 -6.945 47 2HD LYS 6 2HD LYS 6 1.954 17.928 -5.196 48 1HE LYS 6 1HE LYS 6 0.471 19.918 -5.104 49 2HE LYS 6 2HE LYS 6 0.299 19.901 -6.871 50 1HZ LYS 6 1HZ LYS 6 -0.552 17.747 -5.079 51 2HZ LYS 6 2HZ LYS 6 -1.519 18.883 -5.785 52 3HZ LYS 6 3HZ LYS 6 -0.737 17.799 -6.717 53 H LEU 7 H LEU 7 5.701 15.813 -8.992 54 HA LEU 7 HA LEU 7 7.666 14.742 -9.275 55 1HB LEU 7 1HB LEU 7 8.723 17.373 -8.154 56 2HB LEU 7 2HB LEU 7 9.677 16.225 -9.081 57 HG LEU 7 HG LEU 7 7.198 17.632 -10.185 58 1HD1 LEU 7 1HD1 LEU 7 8.935 19.264 -9.576 59 2HD1 LEU 7 2HD1 LEU 7 10.131 18.353 -10.525 60 3HD1 LEU 7 3HD1 LEU 7 8.749 19.130 -11.331 61 1HD2 LEU 7 1HD2 LEU 7 7.854 15.517 -11.387 62 2HD2 LEU 7 2HD2 LEU 7 8.121 16.953 -12.371 63 3HD2 LEU 7 3HD2 LEU 7 9.494 16.188 -11.597 64 HA PRO 8 HA PRO 8 8.199 13.671 -4.790 65 1HB PRO 8 1HB PRO 8 6.886 11.300 -4.625 66 2HB PRO 8 2HB PRO 8 6.074 12.889 -4.553 67 1HG PRO 8 1HG PRO 8 6.251 11.042 -6.940 68 2HG PRO 8 2HG PRO 8 4.845 11.933 -6.320 69 1HD PRO 8 1HD PRO 8 6.459 12.866 -8.388 70 2HD PRO 8 2HD PRO 8 5.525 13.909 -7.289 71 H ASP 9 H ASP 9 8.140 11.059 -7.286 72 HA ASP 9 HA ASP 9 10.620 9.902 -6.196 73 1HB ASP 9 1HB ASP 9 8.802 8.379 -6.699 74 2HB ASP 9 2HB ASP 9 8.702 8.972 -8.365 75 H LEU 10 H LEU 10 9.423 11.012 -9.367 76 HA LEU 10 HA LEU 10 10.273 11.906 -11.129 77 1HB LEU 10 1HB LEU 10 11.783 13.017 -8.899 78 2HB LEU 10 2HB LEU 10 12.950 12.718 -10.168 79 HG LEU 10 HG LEU 10 10.468 14.543 -10.393 80 1HD1 LEU 10 1HD1 LEU 10 13.368 15.085 -9.898 81 2HD1 LEU 10 2HD1 LEU 10 12.078 16.287 -10.212 82 3HD1 LEU 10 3HD1 LEU 10 12.011 15.266 -8.757 83 1HD2 LEU 10 1HD2 LEU 10 12.913 14.121 -12.210 84 2HD2 LEU 10 2HD2 LEU 10 11.278 13.572 -12.607 85 3HD2 LEU 10 3HD2 LEU 10 11.616 15.305 -12.465 86 H LYS 11 H LYS 11 12.186 9.476 -9.706 87 HA LYS 11 HA LYS 11 13.920 9.108 -12.017 88 1HB LYS 11 1HB LYS 11 13.183 7.319 -9.665 89 2HB LYS 11 2HB LYS 11 14.309 6.817 -10.926 90 1HG LYS 11 1HG LYS 11 14.743 9.442 -9.487 91 2HG LYS 11 2HG LYS 11 15.190 7.927 -8.703 92 1HD LYS 11 1HD LYS 11 16.775 7.329 -10.316 93 2HD LYS 11 2HD LYS 11 16.182 8.469 -11.525 94 1HE LYS 11 1HE LYS 11 17.441 9.334 -8.884 95 2HE LYS 11 2HE LYS 11 18.365 9.090 -10.376 96 1HZ LYS 11 1HZ LYS 11 16.156 11.002 -10.077 97 2HZ LYS 11 2HZ LYS 11 17.761 11.370 -10.094 98 3HZ LYS 11 3HZ LYS 11 17.045 10.750 -11.439 99 H ASP 12 H ASP 12 10.782 7.766 -10.928 100 HA ASP 12 HA ASP 12 10.612 6.014 -13.273 101 1HB ASP 12 1HB ASP 12 8.650 6.717 -11.062 102 2HB ASP 12 2HB ASP 12 8.225 5.692 -12.442 103 H ALA 13 H ALA 13 9.310 6.170 -14.961 104 HA ALA 13 HA ALA 13 8.838 8.788 -16.073 105 1HB ALA 13 1HB ALA 13 9.513 6.854 -17.473 106 2HB ALA 13 2HB ALA 13 7.994 6.023 -17.067 107 3HB ALA 13 3HB ALA 13 7.963 7.528 -18.012 108 H GLU 14 H GLU 14 6.793 6.265 -14.747 109 HA GLU 14 HA GLU 14 4.302 7.471 -15.382 110 1HB GLU 14 1HB GLU 14 5.040 5.069 -14.238 111 2HB GLU 14 2HB GLU 14 4.391 5.908 -12.833 112 1HG GLU 14 1HG GLU 14 2.991 5.385 -15.494 113 2HG GLU 14 2HG GLU 14 2.675 4.582 -13.958 114 H ALA 15 H ALA 15 6.460 7.778 -12.602 115 HA ALA 15 HA ALA 15 4.789 9.414 -10.942 116 1HB ALA 15 1HB ALA 15 6.753 8.194 -10.094 117 2HB ALA 15 2HB ALA 15 7.832 9.233 -11.054 118 3HB ALA 15 3HB ALA 15 6.868 9.930 -9.736 119 H VAL 16 H VAL 16 6.906 10.057 -13.629 120 HA VAL 16 HA VAL 16 6.865 12.991 -13.296 121 HB VAL 16 HB VAL 16 8.394 11.073 -14.878 122 1HG1 VAL 16 1HG1 VAL 16 7.615 13.571 -16.338 123 2HG1 VAL 16 2HG1 VAL 16 8.908 12.428 -16.774 124 3HG1 VAL 16 3HG1 VAL 16 7.229 11.891 -16.821 125 1HG2 VAL 16 1HG2 VAL 16 9.316 12.301 -13.150 126 2HG2 VAL 16 2HG2 VAL 16 10.128 12.559 -14.704 127 3HG2 VAL 16 3HG2 VAL 16 9.043 13.824 -14.054 128 H GLN 17 H GLN 17 5.229 10.462 -15.195 129 HA GLN 17 HA GLN 17 3.894 12.332 -16.916 130 1HB GLN 17 1HB GLN 17 4.087 10.017 -17.582 131 2HB GLN 17 2HB GLN 17 3.046 9.508 -16.238 132 1HG GLN 17 1HG GLN 17 1.883 9.591 -18.426 133 2HG GLN 17 2HG GLN 17 1.140 10.613 -17.200 134 1HE2 GLN 17 2HE2 GLN 17 3.054 10.614 -20.241 135 2HE2 GLN 17 1HE2 GLN 17 2.760 12.301 -20.594 136 H LYS 18 H LYS 18 3.080 10.834 -13.784 137 HA LYS 18 HA LYS 18 0.441 11.807 -13.527 138 1HB LYS 18 1HB LYS 18 2.606 11.287 -11.469 139 2HB LYS 18 2HB LYS 18 0.979 11.758 -10.995 140 1HG LYS 18 1HG LYS 18 1.521 9.291 -12.712 141 2HG LYS 18 2HG LYS 18 1.603 9.291 -10.964 142 1HD LYS 18 1HD LYS 18 -0.511 8.606 -11.105 143 2HD LYS 18 2HD LYS 18 -0.845 10.334 -11.114 144 1HE LYS 18 1HE LYS 18 -2.187 9.083 -12.756 145 2HE LYS 18 2HE LYS 18 -1.152 10.239 -13.593 146 1HZ LYS 18 1HZ LYS 18 -0.418 7.401 -13.242 147 2HZ LYS 18 2HZ LYS 18 -1.235 7.980 -14.563 148 3HZ LYS 18 3HZ LYS 18 0.297 8.451 -14.216 149 H PHE 19 H PHE 19 3.420 13.368 -12.302 150 HA PHE 19 HA PHE 19 2.070 15.774 -11.566 151 1HB PHE 19 1HB PHE 19 4.067 15.472 -10.463 152 2HB PHE 19 2HB PHE 19 4.942 15.006 -11.929 153 HD1 PHE 19 HD1 PHE 19 3.436 17.965 -10.155 154 HD2 PHE 19 HD2 PHE 19 5.919 16.589 -13.399 155 HE1 PHE 19 HE1 PHE 19 4.180 20.294 -10.580 156 HE2 PHE 19 HE2 PHE 19 6.625 18.943 -13.810 157 HZ PHE 19 HZ PHE 19 5.820 20.741 -12.484 158 H PHE 20 H PHE 20 3.916 14.941 -14.542 159 HA PHE 20 HA PHE 20 3.974 17.469 -15.727 160 1HB PHE 20 1HB PHE 20 5.201 15.690 -16.680 161 2HB PHE 20 2HB PHE 20 3.749 14.718 -16.960 162 HD1 PHE 20 HD1 PHE 20 4.630 18.256 -17.869 163 HD2 PHE 20 HD2 PHE 20 3.626 14.295 -19.232 164 HE1 PHE 20 HE1 PHE 20 4.630 19.058 -20.227 165 HE2 PHE 20 HE2 PHE 20 3.632 15.107 -21.573 166 HZ PHE 20 HZ PHE 20 4.141 17.467 -22.068 167 H LEU 21 H LEU 21 1.447 14.895 -15.998 168 HA LEU 21 HA LEU 21 -0.441 16.542 -17.397 169 1HB LEU 21 1HB LEU 21 -0.354 13.820 -16.094 170 2HB LEU 21 2HB LEU 21 -1.903 14.584 -15.934 171 HG LEU 21 HG LEU 21 -0.623 14.127 -18.684 172 1HD1 LEU 21 1HD1 LEU 21 -2.614 12.466 -17.083 173 2HD1 LEU 21 2HD1 LEU 21 -2.144 12.186 -18.773 174 3HD1 LEU 21 3HD1 LEU 21 -0.949 12.007 -17.486 175 1HD2 LEU 21 1HD2 LEU 21 -3.352 14.999 -17.636 176 2HD2 LEU 21 2HD2 LEU 21 -2.248 15.917 -18.681 177 3HD2 LEU 21 3HD2 LEU 21 -3.073 14.481 -19.287 178 H GLU 22 H GLU 22 0.061 15.906 -13.941 179 HA GLU 22 HA GLU 22 -2.252 17.171 -12.976 180 1HB GLU 22 1HB GLU 22 -0.561 15.993 -11.543 181 2HB GLU 22 2HB GLU 22 0.522 17.391 -11.730 182 1HG GLU 22 1HG GLU 22 -1.008 18.837 -10.576 183 2HG GLU 22 2HG GLU 22 -2.224 17.554 -10.490 184 H GLU 23 H GLU 23 0.760 18.607 -14.256 185 HA GLU 23 HA GLU 23 -0.015 21.286 -13.531 186 1HB GLU 23 1HB GLU 23 2.426 20.152 -13.966 187 2HB GLU 23 2HB GLU 23 2.160 21.043 -15.476 188 1HG GLU 23 1HG GLU 23 3.096 22.671 -14.051 189 2HG GLU 23 2HG GLU 23 1.367 22.997 -13.907 190 H ILE 24 H ILE 24 0.137 19.402 -16.524 191 HA ILE 24 HA ILE 24 -0.848 21.409 -18.348 192 HB ILE 24 HB ILE 24 -0.626 18.412 -18.394 193 1HG1 ILE 24 1HG1 ILE 24 0.053 20.566 -20.390 194 2HG1 ILE 24 2HG1 ILE 24 1.035 19.243 -19.741 195 1HG2 ILE 24 1HG2 ILE 24 -3.012 18.443 -18.701 196 2HG2 ILE 24 2HG2 ILE 24 -2.790 19.484 -20.121 197 3HG2 ILE 24 3HG2 ILE 24 -2.160 17.847 -20.066 198 1HD1 ILE 24 1HD1 ILE 24 -1.234 18.935 -21.748 199 2HD1 ILE 24 2HD1 ILE 24 0.482 18.929 -22.058 200 3HD1 ILE 24 3HD1 ILE 24 -0.196 17.647 -21.050 201 H GLN 25 H GLN 25 -2.633 19.182 -16.254 202 HA GLN 25 HA GLN 25 -5.196 20.345 -17.052 203 1HB GLN 25 1HB GLN 25 -4.561 18.471 -14.716 204 2HB GLN 25 2HB GLN 25 -6.160 18.899 -15.339 205 1HG GLN 25 1HG GLN 25 -5.190 17.928 -17.630 206 2HG GLN 25 2HG GLN 25 -4.094 17.047 -16.562 207 1HE2 GLN 25 2HE2 GLN 25 -5.211 15.866 -14.677 208 2HE2 GLN 25 1HE2 GLN 25 -6.723 15.075 -15.080 209 H LEU 26 H LEU 26 -3.204 20.655 -14.163 210 HA LEU 26 HA LEU 26 -4.941 22.343 -12.677 211 1HB LEU 26 1HB LEU 26 -3.068 21.409 -11.616 212 2HB LEU 26 2HB LEU 26 -1.931 22.153 -12.766 213 HG LEU 26 HG LEU 26 -1.691 23.058 -10.631 214 1HD1 LEU 26 1HD1 LEU 26 -1.470 24.588 -12.642 215 2HD1 LEU 26 2HD1 LEU 26 -3.034 25.295 -12.152 216 3HD1 LEU 26 3HD1 LEU 26 -1.677 25.336 -11.038 217 1HD2 LEU 26 1HD2 LEU 26 -3.898 22.613 -9.763 218 2HD2 LEU 26 2HD2 LEU 26 -3.414 24.306 -9.490 219 3HD2 LEU 26 3HD2 LEU 26 -4.579 23.910 -10.789 220 H GLY 27 H GLY 27 -2.469 23.210 -15.128 221 1HA GLY 27 1HA GLY 27 -2.940 26.040 -15.113 222 2HA GLY 27 2HA GLY 27 -2.270 25.122 -16.482 223 H GLU 28 H GLU 28 -4.112 23.640 -17.635 224 HA GLU 28 HA GLU 28 -5.916 25.467 -18.734 225 1HB GLU 28 1HB GLU 28 -6.095 22.456 -18.573 226 2HB GLU 28 2HB GLU 28 -7.195 23.458 -19.539 227 1HG GLU 28 1HG GLU 28 -4.149 23.483 -19.826 228 2HG GLU 28 2HG GLU 28 -5.292 22.616 -20.863 229 H GLU 29 H GLU 29 -6.419 23.678 -15.784 230 HA GLU 29 HA GLU 29 -9.234 24.302 -15.554 231 1HB GLU 29 1HB GLU 29 -8.188 22.402 -14.382 232 2HB GLU 29 2HB GLU 29 -7.273 23.544 -13.367 233 1HG GLU 29 1HG GLU 29 -9.157 22.745 -12.138 234 2HG GLU 29 2HG GLU 29 -9.456 24.444 -12.520 235 H LEU 30 H LEU 30 -6.207 25.844 -14.273 236 HA LEU 30 HA LEU 30 -7.675 27.926 -12.922 237 1HB LEU 30 1HB LEU 30 -4.796 27.533 -13.861 238 2HB LEU 30 2HB LEU 30 -5.310 29.152 -13.446 239 HG LEU 30 HG LEU 30 -5.292 26.803 -11.508 240 1HD1 LEU 30 1HD1 LEU 30 -3.066 27.700 -12.222 241 2HD1 LEU 30 2HD1 LEU 30 -3.576 29.304 -11.651 242 3HD1 LEU 30 3HD1 LEU 30 -3.423 27.958 -10.503 243 1HD2 LEU 30 1HD2 LEU 30 -5.961 29.779 -11.114 244 2HD2 LEU 30 2HD2 LEU 30 -7.076 28.423 -10.848 245 3HD2 LEU 30 3HD2 LEU 30 -5.674 28.631 -9.799 246 H LEU 31 H LEU 31 -6.450 27.568 -16.219 247 HA LEU 31 HA LEU 31 -7.267 30.253 -17.067 248 1HB LEU 31 1HB LEU 31 -6.766 27.647 -18.520 249 2HB LEU 31 2HB LEU 31 -7.131 29.161 -19.347 250 HG LEU 31 HG LEU 31 -5.097 30.093 -18.939 251 1HD1 LEU 31 1HD1 LEU 31 -5.194 30.008 -16.376 252 2HD1 LEU 31 2HD1 LEU 31 -4.303 28.485 -16.518 253 3HD1 LEU 31 3HD1 LEU 31 -3.665 29.979 -17.183 254 1HD2 LEU 31 1HD2 LEU 31 -4.897 27.903 -20.094 255 2HD2 LEU 31 2HD2 LEU 31 -3.404 28.399 -19.245 256 3HD2 LEU 31 3HD2 LEU 31 -4.459 27.173 -18.534 257 H ALA 32 H ALA 32 -8.887 27.183 -16.671 258 HA ALA 32 HA ALA 32 -11.296 27.886 -17.994 259 1HB ALA 32 1HB ALA 32 -10.652 25.555 -17.012 260 2HB ALA 32 2HB ALA 32 -11.300 26.176 -15.479 261 3HB ALA 32 3HB ALA 32 -12.343 26.070 -16.879 262 H GLN 33 H GLN 33 -9.860 29.037 -15.050 263 HA GLN 33 HA GLN 33 -12.339 30.302 -14.100 264 1HB GLN 33 1HB GLN 33 -10.121 29.185 -12.801 265 2HB GLN 33 2HB GLN 33 -9.797 30.919 -12.698 266 1HG GLN 33 1HG GLN 33 -12.383 29.515 -11.872 267 2HG GLN 33 2HG GLN 33 -11.068 29.963 -10.781 268 1HE2 GLN 33 2HE2 GLN 33 -13.867 31.153 -12.536 269 2HE2 GLN 33 1HE2 GLN 33 -13.766 32.804 -11.961 270 H GLY 34 H GLY 34 -9.232 30.903 -15.543 271 1HA GLY 34 1HA GLY 34 -9.266 32.618 -17.353 272 2HA GLY 34 2HA GLY 34 -9.892 33.759 -16.163 273 H ASP 35 H ASP 35 -7.499 31.572 -14.844 274 HA ASP 35 HA ASP 35 -5.715 33.924 -14.645 275 1HB ASP 35 1HB ASP 35 -6.401 32.374 -12.713 276 2HB ASP 35 2HB ASP 35 -5.151 31.286 -13.323 277 H TYR 36 H TYR 36 -5.610 33.525 -17.099 278 HA TYR 36 HA TYR 36 -3.913 31.874 -18.519 279 1HB TYR 36 1HB TYR 36 -3.915 34.832 -18.945 280 2HB TYR 36 2HB TYR 36 -3.837 33.520 -20.122 281 HD1 TYR 36 HD1 TYR 36 -6.094 31.847 -19.799 282 HD2 TYR 36 HD2 TYR 36 -5.873 36.095 -19.089 283 HE1 TYR 36 HE1 TYR 36 -8.529 32.028 -20.149 284 HE2 TYR 36 HE2 TYR 36 -8.316 36.272 -19.445 285 HH TYR 36 HH TYR 36 -10.360 33.428 -20.174 286 H GLU 37 H GLU 37 -2.902 34.602 -16.617 287 HA GLU 37 HA GLU 37 -0.171 34.455 -17.431 288 1HB GLU 37 1HB GLU 37 -1.070 36.475 -16.390 289 2HB GLU 37 2HB GLU 37 -1.226 35.636 -14.831 290 1HG GLU 37 1HG GLU 37 1.147 35.426 -14.601 291 2HG GLU 37 2HG GLU 37 1.434 35.787 -16.307 292 H LYS 38 H LYS 38 -1.907 32.940 -14.821 293 HA LYS 38 HA LYS 38 0.451 31.593 -13.773 294 1HB LYS 38 1HB LYS 38 -2.413 31.753 -13.113 295 2HB LYS 38 2HB LYS 38 -1.861 30.098 -13.014 296 1HG LYS 38 1HG LYS 38 -0.401 32.381 -11.606 297 2HG LYS 38 2HG LYS 38 -1.730 31.488 -10.855 298 1HD LYS 38 1HD LYS 38 -0.645 29.412 -11.038 299 2HD LYS 38 2HD LYS 38 0.634 30.032 -12.109 300 1HE LYS 38 1HE LYS 38 1.483 31.404 -10.180 301 2HE LYS 38 2HE LYS 38 0.292 30.578 -9.147 302 1HZ LYS 38 1HZ LYS 38 1.305 28.477 -9.909 303 2HZ LYS 38 2HZ LYS 38 2.472 29.319 -10.690 304 3HZ LYS 38 3HZ LYS 38 2.368 29.420 -9.047 305 H GLY 39 H GLY 39 -1.972 30.845 -16.251 306 1HA GLY 39 1HA GLY 39 -1.305 28.090 -16.623 307 2HA GLY 39 2HA GLY 39 -1.868 29.197 -17.902 308 H VAL 40 H VAL 40 0.234 31.125 -17.798 309 HA VAL 40 HA VAL 40 1.996 29.821 -19.622 310 HB VAL 40 HB VAL 40 2.390 32.438 -18.069 311 1HG1 VAL 40 1HG1 VAL 40 3.914 31.219 -20.378 312 2HG1 VAL 40 2HG1 VAL 40 4.041 32.922 -19.909 313 3HG1 VAL 40 3HG1 VAL 40 4.556 31.665 -18.788 314 1HG2 VAL 40 1HG2 VAL 40 1.305 31.922 -20.883 315 2HG2 VAL 40 2HG2 VAL 40 0.465 32.695 -19.538 316 3HG2 VAL 40 3HG2 VAL 40 1.828 33.503 -20.290 317 H ASP 41 H ASP 41 2.335 30.638 -16.209 318 HA ASP 41 HA ASP 41 5.000 29.669 -15.827 319 1HB ASP 41 1HB ASP 41 4.257 31.111 -14.144 320 2HB ASP 41 2HB ASP 41 2.693 30.307 -13.980 321 H HIS 42 H HIS 42 1.886 28.161 -15.140 322 HA HIS 42 HA HIS 42 2.986 25.653 -14.292 323 1HB HIS 42 1HB HIS 42 0.207 26.541 -15.086 324 2HB HIS 42 2HB HIS 42 0.550 24.857 -14.701 325 HD1 HIS 42 HD1 HIS 42 2.066 24.626 -12.251 326 HD2 HIS 42 HD2 HIS 42 -0.463 27.926 -12.816 327 HE1 HIS 42 HE1 HIS 42 1.594 25.597 -9.978 328 H LEU 43 H LEU 43 2.056 26.850 -17.529 329 HA LEU 43 HA LEU 43 2.388 24.168 -18.653 330 1HB LEU 43 1HB LEU 43 1.139 26.279 -19.717 331 2HB LEU 43 2HB LEU 43 2.758 26.624 -20.344 332 HG LEU 43 HG LEU 43 2.647 24.010 -20.967 333 1HD1 LEU 43 1HD1 LEU 43 0.403 23.678 -19.844 334 2HD1 LEU 43 2HD1 LEU 43 -0.306 24.838 -20.984 335 3HD1 LEU 43 3HD1 LEU 43 0.354 23.306 -21.577 336 1HD2 LEU 43 1HD2 LEU 43 1.180 26.197 -22.503 337 2HD2 LEU 43 2HD2 LEU 43 2.891 25.715 -22.662 338 3HD2 LEU 43 3HD2 LEU 43 1.608 24.607 -23.173 339 H THR 44 H THR 44 4.397 27.132 -18.206 340 HA THR 44 HA THR 44 6.700 26.292 -19.514 341 HB THR 44 HB THR 44 6.555 28.034 -17.065 342 HG1 THR 44 HG1 THR 44 5.584 28.802 -18.987 343 1HG2 THR 44 1HG2 THR 44 8.869 27.433 -18.955 344 2HG2 THR 44 2HG2 THR 44 8.810 28.791 -17.815 345 3HG2 THR 44 3HG2 THR 44 8.832 27.134 -17.202 346 H ASN 45 H ASN 45 5.519 25.465 -16.323 347 HA ASN 45 HA ASN 45 7.813 23.980 -15.369 348 1HB ASN 45 1HB ASN 45 4.922 24.129 -14.509 349 2HB ASN 45 2HB ASN 45 5.961 22.840 -13.903 350 1HD2 ASN 45 2HD2 ASN 45 5.749 26.432 -14.147 351 2HD2 ASN 45 1HD2 ASN 45 6.657 26.731 -12.694 352 H ALA 46 H ALA 46 4.786 23.061 -17.055 353 HA ALA 46 HA ALA 46 5.178 20.318 -17.133 354 1HB ALA 46 1HB ALA 46 3.145 21.709 -17.805 355 2HB ALA 46 2HB ALA 46 3.892 21.840 -19.413 356 3HB ALA 46 3HB ALA 46 3.463 20.260 -18.738 357 H ILE 47 H ILE 47 6.337 22.854 -19.403 358 HA ILE 47 HA ILE 47 7.795 21.096 -21.140 359 HB ILE 47 HB ILE 47 8.187 24.046 -20.554 360 1HG1 ILE 47 1HG1 ILE 47 7.393 24.238 -23.014 361 2HG1 ILE 47 2HG1 ILE 47 6.869 22.551 -22.887 362 1HG2 ILE 47 1HG2 ILE 47 9.753 22.401 -22.494 363 2HG2 ILE 47 2HG2 ILE 47 9.671 24.181 -22.505 364 3HG2 ILE 47 3HG2 ILE 47 10.354 23.358 -21.132 365 1HD1 ILE 47 1HD1 ILE 47 5.981 24.810 -21.074 366 2HD1 ILE 47 2HD1 ILE 47 5.100 24.315 -22.518 367 3HD1 ILE 47 3HD1 ILE 47 5.267 23.166 -21.192 368 H ALA 48 H ALA 48 8.652 22.656 -18.156 369 HA ALA 48 HA ALA 48 11.454 22.239 -18.298 370 1HB ALA 48 1HB ALA 48 10.376 23.826 -16.702 371 2HB ALA 48 2HB ALA 48 9.821 22.433 -15.739 372 3HB ALA 48 3HB ALA 48 11.549 22.732 -15.944 373 H VAL 49 H VAL 49 8.807 20.143 -17.313 374 HA VAL 49 HA VAL 49 10.780 18.060 -16.499 375 HB VAL 49 HB VAL 49 9.035 16.981 -15.437 376 1HG1 VAL 49 1HG1 VAL 49 10.138 19.141 -14.513 377 2HG1 VAL 49 2HG1 VAL 49 8.573 19.918 -14.811 378 3HG1 VAL 49 3HG1 VAL 49 8.699 18.550 -13.695 379 1HG2 VAL 49 1HG2 VAL 49 7.157 17.542 -17.119 380 2HG2 VAL 49 2HG2 VAL 49 6.744 17.503 -15.417 381 3HG2 VAL 49 3HG2 VAL 49 6.979 19.064 -16.219 382 H CYS 50 H CYS 50 8.860 18.974 -19.248 383 HA CYS 50 HA CYS 50 8.720 16.173 -20.219 384 1HB CYS 50 1HB CYS 50 6.840 17.458 -20.633 385 2HB CYS 50 2HB CYS 50 7.753 18.807 -21.345 386 HG CYS 50 HG CYS 50 7.703 15.687 -22.412 387 H GLY 51 H GLY 51 10.338 19.264 -21.168 388 1HA GLY 51 1HA GLY 51 12.464 19.538 -22.007 389 2HA GLY 51 2HA GLY 51 12.709 17.790 -22.047 390 H GLN 52 H GLN 52 9.813 18.265 -23.562 391 HA GLN 52 HA GLN 52 10.941 18.708 -26.332 392 1HB GLN 52 1HB GLN 52 10.593 16.320 -25.835 393 2HB GLN 52 2HB GLN 52 8.888 16.656 -25.518 394 1HG GLN 52 1HG GLN 52 9.176 15.865 -27.822 395 2HG GLN 52 2HG GLN 52 8.657 17.556 -27.810 396 1HE2 GLN 52 2HE2 GLN 52 11.754 15.693 -27.870 397 2HE2 GLN 52 1HE2 GLN 52 12.522 16.765 -29.023 398 HA PRO 53 HA PRO 53 7.550 21.622 -24.844 399 1HB PRO 53 1HB PRO 53 8.569 23.887 -26.168 400 2HB PRO 53 2HB PRO 53 8.878 23.438 -24.482 401 1HG PRO 53 1HG PRO 53 10.607 22.831 -26.879 402 2HG PRO 53 2HG PRO 53 11.103 23.484 -25.292 403 1HD PRO 53 1HD PRO 53 11.418 20.912 -25.769 404 2HD PRO 53 2HD PRO 53 10.709 21.420 -24.217 405 H GLN 54 H GLN 54 9.134 21.748 -27.984 406 HA GLN 54 HA GLN 54 6.989 22.790 -29.495 407 1HB GLN 54 1HB GLN 54 9.154 20.857 -30.474 408 2HB GLN 54 2HB GLN 54 8.228 21.994 -31.465 409 1HG GLN 54 1HG GLN 54 9.320 23.908 -30.222 410 2HG GLN 54 2HG GLN 54 10.324 22.746 -29.350 411 1HE2 GLN 54 2HE2 GLN 54 11.359 20.996 -30.988 412 2HE2 GLN 54 1HE2 GLN 54 12.174 21.759 -32.338 413 H GLN 55 H GLN 55 7.763 19.333 -29.020 414 HA GLN 55 HA GLN 55 5.613 18.416 -30.642 415 1HB GLN 55 1HB GLN 55 7.473 16.953 -29.673 416 2HB GLN 55 2HB GLN 55 6.591 17.027 -28.120 417 1HG GLN 55 1HG GLN 55 4.605 16.012 -29.312 418 2HG GLN 55 2HG GLN 55 5.644 15.824 -30.739 419 1HE2 GLN 55 2HE2 GLN 55 5.337 14.968 -27.246 420 2HE2 GLN 55 1HE2 GLN 55 6.274 13.495 -27.373 421 H LEU 56 H LEU 56 5.778 19.270 -27.217 422 HA LEU 56 HA LEU 56 3.103 18.609 -26.669 423 1HB LEU 56 1HB LEU 56 4.837 18.867 -24.890 424 2HB LEU 56 2HB LEU 56 4.837 20.612 -25.171 425 HG LEU 56 HG LEU 56 2.409 20.671 -24.526 426 1HD1 LEU 56 1HD1 LEU 56 2.612 17.784 -24.635 427 2HD1 LEU 56 2HD1 LEU 56 2.354 18.237 -22.956 428 3HD1 LEU 56 3HD1 LEU 56 1.220 18.771 -24.169 429 1HD2 LEU 56 1HD2 LEU 56 4.489 19.705 -22.556 430 2HD2 LEU 56 2HD2 LEU 56 4.106 21.370 -23.011 431 3HD2 LEU 56 3HD2 LEU 56 2.921 20.420 -22.098 432 H LEU 57 H LEU 57 4.603 21.690 -27.733 433 HA LEU 57 HA LEU 57 2.125 23.178 -27.497 434 1HB LEU 57 1HB LEU 57 4.353 23.817 -29.463 435 2HB LEU 57 2HB LEU 57 3.093 24.884 -28.841 436 HG LEU 57 HG LEU 57 5.614 23.937 -27.504 437 1HD1 LEU 57 1HD1 LEU 57 5.533 26.056 -28.783 438 2HD1 LEU 57 2HD1 LEU 57 4.424 26.685 -27.536 439 3HD1 LEU 57 3HD1 LEU 57 6.060 26.188 -27.096 440 1HD2 LEU 57 1HD2 LEU 57 3.214 25.059 -25.981 441 2HD2 LEU 57 2HD2 LEU 57 3.940 23.454 -25.744 442 3HD2 LEU 57 3HD2 LEU 57 4.857 24.900 -25.337 443 H GLN 58 H GLN 58 3.444 21.104 -30.053 444 HA GLN 58 HA GLN 58 1.296 21.778 -31.817 445 1HB GLN 58 1HB GLN 58 3.361 20.749 -32.664 446 2HB GLN 58 2HB GLN 58 2.954 19.231 -31.852 447 1HG GLN 58 1HG GLN 58 2.362 19.297 -34.301 448 2HG GLN 58 2HG GLN 58 1.002 18.919 -33.242 449 1HE2 GLN 58 2HE2 GLN 58 2.600 21.962 -34.440 450 2HE2 GLN 58 1HE2 GLN 58 1.087 22.732 -34.903 451 H VAL 59 H VAL 59 1.765 19.162 -29.427 452 HA VAL 59 HA VAL 59 -0.676 17.882 -29.880 453 HB VAL 59 HB VAL 59 1.402 17.225 -28.342 454 1HG1 VAL 59 1HG1 VAL 59 -0.772 17.884 -26.237 455 2HG1 VAL 59 2HG1 VAL 59 0.735 17.022 -25.942 456 3HG1 VAL 59 3HG1 VAL 59 0.765 18.714 -26.323 457 1HG2 VAL 59 1HG2 VAL 59 -1.337 16.237 -28.004 458 2HG2 VAL 59 2HG2 VAL 59 -0.083 15.753 -29.213 459 3HG2 VAL 59 3HG2 VAL 59 0.192 15.473 -27.483 460 H LEU 60 H LEU 60 -0.013 20.751 -28.063 461 HA LEU 60 HA LEU 60 -2.648 20.895 -26.741 462 1HB LEU 60 1HB LEU 60 -0.260 22.711 -27.250 463 2HB LEU 60 2HB LEU 60 -1.767 23.456 -26.798 464 HG LEU 60 HG LEU 60 0.109 22.941 -25.079 465 1HD1 LEU 60 1HD1 LEU 60 -2.885 22.472 -24.557 466 2HD1 LEU 60 2HD1 LEU 60 -1.703 22.884 -23.296 467 3HD1 LEU 60 3HD1 LEU 60 -2.072 24.049 -24.576 468 1HD2 LEU 60 1HD2 LEU 60 0.205 20.517 -25.310 469 2HD2 LEU 60 2HD2 LEU 60 -0.281 20.972 -23.685 470 3HD2 LEU 60 3HD2 LEU 60 -1.488 20.345 -24.824 471 H GLN 61 H GLN 61 -1.115 22.127 -29.722 472 HA GLN 61 HA GLN 61 -3.364 23.777 -30.470 473 1HB GLN 61 1HB GLN 61 -1.278 24.453 -31.303 474 2HB GLN 61 2HB GLN 61 -0.872 22.844 -31.915 475 1HG GLN 61 1HG GLN 61 -2.455 23.039 -33.735 476 2HG GLN 61 2HG GLN 61 -3.035 24.599 -33.121 477 1HE2 GLN 61 2HE2 GLN 61 -1.434 26.429 -33.085 478 2HE2 GLN 61 1HE2 GLN 61 -0.119 26.408 -34.239 479 H GLN 62 H GLN 62 -2.482 20.448 -31.078 480 HA GLN 62 HA GLN 62 -4.295 19.851 -33.205 481 1HB GLN 62 1HB GLN 62 -2.942 18.212 -31.017 482 2HB GLN 62 2HB GLN 62 -4.019 17.461 -32.201 483 1HG GLN 62 1HG GLN 62 -1.516 19.007 -32.894 484 2HG GLN 62 2HG GLN 62 -1.647 17.247 -32.777 485 1HE2 GLN 62 2HE2 GLN 62 -1.853 19.916 -34.888 486 2HE2 GLN 62 1HE2 GLN 62 -2.722 19.137 -36.203 487 H THR 63 H THR 63 -4.553 19.578 -29.651 488 HA THR 63 HA THR 63 -7.220 18.445 -29.860 489 HB THR 63 HB THR 63 -5.685 17.685 -28.244 490 HG1 THR 63 HG1 THR 63 -8.030 18.895 -27.218 491 1HG2 THR 63 1HG2 THR 63 -5.939 20.383 -26.908 492 2HG2 THR 63 2HG2 THR 63 -5.268 18.918 -26.186 493 3HG2 THR 63 3HG2 THR 63 -4.486 19.635 -27.585 494 H LEU 64 H LEU 64 -5.917 21.659 -29.318 495 HA LEU 64 HA LEU 64 -8.509 22.785 -29.923 496 1HB LEU 64 1HB LEU 64 -9.007 23.919 -27.802 497 2HB LEU 64 2HB LEU 64 -9.001 22.185 -27.610 498 HG LEU 64 HG LEU 64 -6.387 22.772 -26.914 499 1HD1 LEU 64 1HD1 LEU 64 -8.133 25.069 -25.909 500 2HD1 LEU 64 2HD1 LEU 64 -6.483 24.702 -25.372 501 3HD1 LEU 64 3HD1 LEU 64 -6.772 25.223 -27.034 502 1HD2 LEU 64 1HD2 LEU 64 -8.839 22.756 -25.108 503 2HD2 LEU 64 2HD2 LEU 64 -7.939 21.328 -25.666 504 3HD2 LEU 64 3HD2 LEU 64 -7.160 22.499 -24.588 505 HA PRO 65 HA PRO 65 -5.882 26.186 -31.117 506 1HB PRO 65 1HB PRO 65 -7.616 28.296 -31.160 507 2HB PRO 65 2HB PRO 65 -7.590 26.995 -32.381 508 1HG PRO 65 1HG PRO 65 -9.414 27.230 -29.976 509 2HG PRO 65 2HG PRO 65 -9.862 26.854 -31.663 510 1HD PRO 65 1HD PRO 65 -9.542 24.904 -29.811 511 2HD PRO 65 2HD PRO 65 -8.988 24.651 -31.490 512 HA PRO 66 HA PRO 66 -5.405 27.556 -26.713 513 1HB PRO 66 1HB PRO 66 -2.848 27.220 -26.389 514 2HB PRO 66 2HB PRO 66 -3.895 25.851 -26.792 515 1HG PRO 66 1HG PRO 66 -2.031 27.265 -28.707 516 2HG PRO 66 2HG PRO 66 -2.394 25.533 -28.535 517 1HD PRO 66 1HD PRO 66 -3.653 27.470 -30.264 518 2HD PRO 66 2HD PRO 66 -4.097 25.770 -30.031 519 HA PRO 67 HA PRO 67 -4.416 31.857 -28.108 520 1HB PRO 67 1HB PRO 67 -5.921 33.239 -26.308 521 2HB PRO 67 2HB PRO 67 -6.634 32.453 -27.744 522 1HG PRO 67 1HG PRO 67 -6.540 31.380 -24.914 523 2HG PRO 67 2HG PRO 67 -7.940 31.449 -26.017 524 1HD PRO 67 1HD PRO 67 -6.440 29.196 -25.720 525 2HD PRO 67 2HD PRO 67 -7.152 29.653 -27.298 526 H VAL 68 H VAL 68 -4.550 30.456 -24.884 527 HA VAL 68 HA VAL 68 -2.925 32.188 -23.385 528 HB VAL 68 HB VAL 68 -3.396 29.169 -23.161 529 1HG1 VAL 68 1HG1 VAL 68 -1.834 31.021 -21.337 530 2HG1 VAL 68 2HG1 VAL 68 -2.430 29.404 -20.894 531 3HG1 VAL 68 3HG1 VAL 68 -1.238 29.565 -22.172 532 1HG2 VAL 68 1HG2 VAL 68 -5.347 30.686 -22.770 533 2HG2 VAL 68 2HG2 VAL 68 -4.825 29.874 -21.293 534 3HG2 VAL 68 3HG2 VAL 68 -4.391 31.572 -21.564 535 H PHE 69 H PHE 69 -2.067 29.325 -25.282 536 HA PHE 69 HA PHE 69 0.706 29.176 -24.960 537 1HB PHE 69 1HB PHE 69 -0.078 27.465 -26.245 538 2HB PHE 69 2HB PHE 69 -1.250 28.497 -27.035 539 HD1 PHE 69 HD1 PHE 69 -0.838 29.779 -29.004 540 HD2 PHE 69 HD2 PHE 69 2.145 27.170 -27.326 541 HE1 PHE 69 HE1 PHE 69 0.415 29.863 -31.142 542 HE2 PHE 69 HE2 PHE 69 3.404 27.257 -29.496 543 HZ PHE 69 HZ PHE 69 2.540 28.595 -31.382 544 H GLN 70 H GLN 70 -1.066 31.343 -27.129 545 HA GLN 70 HA GLN 70 1.295 32.475 -28.296 546 1HB GLN 70 1HB GLN 70 -0.904 32.647 -29.385 547 2HB GLN 70 2HB GLN 70 -1.472 33.733 -28.108 548 1HG GLN 70 1HG GLN 70 -0.885 34.961 -30.109 549 2HG GLN 70 2HG GLN 70 0.149 35.442 -28.768 550 1HE2 GLN 70 2HE2 GLN 70 2.408 34.746 -28.782 551 2HE2 GLN 70 1HE2 GLN 70 3.166 34.286 -30.299 552 H MET 71 H MET 71 -0.478 33.256 -25.376 553 HA MET 71 HA MET 71 0.951 35.730 -24.835 554 1HB MET 71 1HB MET 71 -0.772 34.120 -22.904 555 2HB MET 71 2HB MET 71 -0.302 35.822 -22.819 556 1HG MET 71 1HG MET 71 -1.568 35.973 -25.163 557 2HG MET 71 2HG MET 71 -2.365 34.504 -24.597 558 1HE MET 71 1HE MET 71 -3.899 34.383 -22.483 559 2HE MET 71 2HE MET 71 -2.605 35.065 -21.460 560 3HE MET 71 3HE MET 71 -4.238 35.776 -21.427 561 H LEU 72 H LEU 72 1.233 32.272 -24.043 562 HA LEU 72 HA LEU 72 3.274 32.553 -22.082 563 1HB LEU 72 1HB LEU 72 2.517 30.366 -22.020 564 2HB LEU 72 2HB LEU 72 2.060 30.396 -23.698 565 HG LEU 72 HG LEU 72 4.460 30.049 -24.337 566 1HD1 LEU 72 1HD1 LEU 72 5.452 30.755 -22.078 567 2HD1 LEU 72 2HD1 LEU 72 4.768 29.273 -21.390 568 3HD1 LEU 72 3HD1 LEU 72 6.004 29.174 -22.656 569 1HD2 LEU 72 1HD2 LEU 72 3.056 27.988 -22.631 570 2HD2 LEU 72 2HD2 LEU 72 2.852 28.239 -24.379 571 3HD2 LEU 72 3HD2 LEU 72 4.395 27.638 -23.749 572 H LEU 73 H LEU 73 3.267 32.241 -25.580 573 HA LEU 73 HA LEU 73 6.157 32.411 -25.792 574 1HB LEU 73 1HB LEU 73 4.100 33.279 -27.881 575 2HB LEU 73 2HB LEU 73 5.804 32.940 -28.171 576 HG LEU 73 HG LEU 73 3.620 30.901 -27.596 577 1HD1 LEU 73 1HD1 LEU 73 5.318 31.565 -29.983 578 2HD1 LEU 73 2HD1 LEU 73 4.150 30.221 -29.852 579 3HD1 LEU 73 3HD1 LEU 73 3.584 31.903 -29.754 580 1HD2 LEU 73 1HD2 LEU 73 6.580 30.377 -27.966 581 2HD2 LEU 73 2HD2 LEU 73 5.644 30.107 -26.473 582 3HD2 LEU 73 3HD2 LEU 73 5.274 29.169 -27.923 583 H THR 74 H THR 74 3.719 34.864 -25.478 584 HA THR 74 HA THR 74 5.619 36.947 -26.233 585 HB THR 74 HB THR 74 3.060 36.952 -26.676 586 HG1 THR 74 HG1 THR 74 3.341 39.182 -26.917 587 1HG2 THR 74 1HG2 THR 74 2.566 37.109 -24.159 588 2HG2 THR 74 2HG2 THR 74 3.331 38.703 -24.205 589 3HG2 THR 74 3HG2 THR 74 1.871 38.384 -25.180 590 H LYS 75 H LYS 75 4.640 35.282 -23.287 591 HA LYS 75 HA LYS 75 5.455 37.358 -21.497 592 1HB LYS 75 1HB LYS 75 4.511 34.562 -21.413 593 2HB LYS 75 2HB LYS 75 5.830 34.794 -20.284 594 1HG LYS 75 1HG LYS 75 3.806 35.122 -19.109 595 2HG LYS 75 2HG LYS 75 4.624 36.684 -19.255 596 1HD LYS 75 1HD LYS 75 3.000 37.298 -21.096 597 2HD LYS 75 2HD LYS 75 2.263 35.700 -20.940 598 1HE LYS 75 1HE LYS 75 0.918 37.358 -19.768 599 2HE LYS 75 2HE LYS 75 1.560 36.136 -18.664 600 1HZ LYS 75 1HZ LYS 75 3.259 37.717 -18.023 601 2HZ LYS 75 2HZ LYS 75 2.612 38.866 -19.016 602 3HZ LYS 75 3HZ LYS 75 1.765 38.287 -17.721 603 H LEU 76 H LEU 76 7.319 34.378 -22.489 604 HA LEU 76 HA LEU 76 9.577 35.036 -21.098 605 1HB LEU 76 1HB LEU 76 9.179 33.555 -23.759 606 2HB LEU 76 2HB LEU 76 10.759 33.677 -22.994 607 HG LEU 76 HG LEU 76 9.728 32.297 -21.035 608 1HD1 LEU 76 1HD1 LEU 76 7.546 31.867 -23.074 609 2HD1 LEU 76 2HD1 LEU 76 7.798 30.962 -21.569 610 3HD1 LEU 76 3HD1 LEU 76 7.334 32.661 -21.484 611 1HD2 LEU 76 1HD2 LEU 76 9.829 31.120 -23.826 612 2HD2 LEU 76 2HD2 LEU 76 11.224 31.382 -22.759 613 3HD2 LEU 76 3HD2 LEU 76 9.961 30.233 -22.293 614 HA PRO 77 HA PRO 77 11.708 37.675 -24.301 615 1HB PRO 77 1HB PRO 77 10.583 38.529 -26.534 616 2HB PRO 77 2HB PRO 77 11.263 36.872 -26.345 617 1HG PRO 77 1HG PRO 77 8.335 37.719 -26.101 618 2HG PRO 77 2HG PRO 77 8.985 36.385 -27.099 619 1HD PRO 77 1HD PRO 77 8.014 35.992 -24.540 620 2HD PRO 77 2HD PRO 77 9.387 35.054 -25.214 621 H THR 78 H THR 78 11.066 38.660 -22.429 622 HA THR 78 HA THR 78 9.062 40.826 -22.387 623 HB THR 78 HB THR 78 9.689 39.334 -20.462 624 HG1 THR 78 HG1 THR 78 9.171 41.013 -19.028 625 1HG2 THR 78 1HG2 THR 78 12.102 39.534 -20.332 626 2HG2 THR 78 2HG2 THR 78 11.941 41.263 -19.895 627 3HG2 THR 78 3HG2 THR 78 11.302 40.007 -18.834 628 H ILE 79 H ILE 79 12.504 40.539 -22.091 629 HA ILE 79 HA ILE 79 13.291 43.236 -22.187 630 HB ILE 79 HB ILE 79 14.842 40.941 -23.487 631 1HG1 ILE 79 1HG1 ILE 79 16.099 41.318 -21.063 632 2HG1 ILE 79 2HG1 ILE 79 14.420 41.592 -20.592 633 1HG2 ILE 79 1HG2 ILE 79 15.786 43.621 -22.416 634 2HG2 ILE 79 2HG2 ILE 79 16.840 42.311 -22.993 635 3HG2 ILE 79 3HG2 ILE 79 15.751 43.112 -24.118 636 1HD1 ILE 79 1HD1 ILE 79 13.899 39.359 -21.786 637 2HD1 ILE 79 2HD1 ILE 79 15.647 39.188 -21.985 638 3HD1 ILE 79 3HD1 ILE 79 14.939 39.258 -20.350 639 H SER 80 H SER 80 12.533 41.111 -24.876 640 HA SER 80 HA SER 80 13.348 42.642 -27.005 641 1HB SER 80 1HB SER 80 10.756 41.049 -26.809 642 2HB SER 80 2HB SER 80 11.599 41.506 -28.307 643 HG SER 80 HG SER 80 12.206 39.415 -27.675 644 H GLN 81 H GLN 81 10.480 43.139 -24.950 645 HA GLN 81 HA GLN 81 9.115 45.009 -26.475 646 1HB GLN 81 1HB GLN 81 8.280 43.953 -24.376 647 2HB GLN 81 2HB GLN 81 9.400 44.967 -23.452 648 1HG GLN 81 1HG GLN 81 7.155 45.898 -23.397 649 2HG GLN 81 2HG GLN 81 8.263 47.003 -24.210 650 1HE2 GLN 81 2HE2 GLN 81 7.168 48.024 -25.884 651 2HE2 GLN 81 1HE2 GLN 81 6.054 47.213 -26.964 652 H ARG 82 H ARG 82 11.798 45.483 -24.211 653 HA ARG 82 HA ARG 82 11.752 48.326 -24.393 654 1HB ARG 82 1HB ARG 82 13.520 48.431 -22.995 655 2HB ARG 82 2HB ARG 82 12.797 46.892 -22.580 656 1HG ARG 82 1HG ARG 82 14.847 46.018 -22.737 657 2HG ARG 82 2HG ARG 82 14.716 46.159 -24.484 658 1HD ARG 82 1HD ARG 82 15.961 48.159 -22.547 659 2HD ARG 82 2HD ARG 82 16.796 47.119 -23.715 660 HE ARG 82 HE ARG 82 14.799 49.010 -24.798 661 1HH1 ARG 82 1HH1 ARG 82 18.252 48.601 -24.104 662 2HH1 ARG 82 2HH1 ARG 82 18.746 49.721 -25.343 663 1HH2 ARG 82 1HH2 ARG 82 15.421 50.383 -26.410 664 2HH2 ARG 82 2HH2 ARG 82 17.099 50.794 -26.659 665 H ILE 83 H ILE 83 13.201 45.952 -26.596 666 HA ILE 83 HA ILE 83 14.912 47.959 -27.835 667 HB ILE 83 HB ILE 83 13.982 45.345 -29.150 668 1HG1 ILE 83 1HG1 ILE 83 14.657 44.603 -27.128 669 2HG1 ILE 83 2HG1 ILE 83 15.894 44.233 -28.359 670 1HG2 ILE 83 1HG2 ILE 83 15.173 46.907 -30.636 671 2HG2 ILE 83 2HG2 ILE 83 16.549 46.936 -29.514 672 3HG2 ILE 83 3HG2 ILE 83 16.098 45.438 -30.346 673 1HD1 ILE 83 1HD1 ILE 83 16.104 46.426 -26.277 674 2HD1 ILE 83 2HD1 ILE 83 16.810 44.801 -26.147 675 3HD1 ILE 83 3HD1 ILE 83 17.363 45.904 -27.434 676 H VAL 84 H VAL 84 11.886 46.256 -28.639 677 HA VAL 84 HA VAL 84 11.328 47.752 -30.998 678 HB VAL 84 HB VAL 84 9.328 46.424 -29.123 679 1HG1 VAL 84 1HG1 VAL 84 9.056 47.278 -32.030 680 2HG1 VAL 84 2HG1 VAL 84 7.890 46.262 -31.158 681 3HG1 VAL 84 3HG1 VAL 84 8.157 47.928 -30.642 682 1HG2 VAL 84 1HG2 VAL 84 11.032 44.794 -29.968 683 2HG2 VAL 84 2HG2 VAL 84 9.440 44.493 -30.668 684 3HG2 VAL 84 3HG2 VAL 84 10.686 45.316 -31.626 685 H SER 85 H SER 85 10.646 48.532 -27.660 686 HA SER 85 HA SER 85 9.106 50.889 -28.305 687 1HB SER 85 1HB SER 85 10.393 50.073 -25.684 688 2HB SER 85 2HB SER 85 9.157 51.329 -25.915 689 HG SER 85 HG SER 85 8.897 48.557 -26.440 690 H ALA 86 H ALA 86 11.325 51.041 -29.790 691 HA ALA 86 HA ALA 86 12.413 53.583 -29.388 692 1HB ALA 86 1HB ALA 86 14.318 51.258 -28.690 693 2HB ALA 86 2HB ALA 86 14.842 52.918 -29.024 694 3HB ALA 86 3HB ALA 86 13.854 52.576 -27.597 695 H GLN 87 H GLN 87 13.032 50.305 -30.674 696 HA GLN 87 HA GLN 87 14.116 51.261 -33.164 697 1HB GLN 87 1HB GLN 87 14.616 49.042 -31.959 698 2HB GLN 87 2HB GLN 87 13.151 48.424 -32.727 699 1HG GLN 87 1HG GLN 87 15.637 49.595 -34.064 700 2HG GLN 87 2HG GLN 87 15.143 47.901 -34.027 701 1HE2 GLN 87 2HE2 GLN 87 14.429 51.105 -35.435 702 2HE2 GLN 87 1HE2 GLN 87 13.439 50.483 -36.739 703 H SER 88 H SER 88 12.213 52.723 -33.276 704 HA SER 88 HA SER 88 10.335 52.236 -35.304 705 1HB SER 88 1HB SER 88 9.265 52.035 -32.447 706 2HB SER 88 2HB SER 88 8.276 52.658 -33.780 707 HG SER 88 HG SER 88 9.551 50.131 -33.799 708 H LEU 89 H LEU 89 11.241 53.901 -32.296 709 HA LEU 89 HA LEU 89 10.751 56.576 -33.496 710 1HB LEU 89 1HB LEU 89 10.711 57.376 -31.192 711 2HB LEU 89 2HB LEU 89 9.373 56.255 -31.550 712 HG LEU 89 HG LEU 89 11.828 55.392 -30.109 713 1HD1 LEU 89 1HD1 LEU 89 11.005 57.362 -28.921 714 2HD1 LEU 89 2HD1 LEU 89 9.356 56.696 -28.916 715 3HD1 LEU 89 3HD1 LEU 89 10.647 55.904 -27.984 716 1HD2 LEU 89 1HD2 LEU 89 8.871 54.499 -30.174 717 2HD2 LEU 89 2HD2 LEU 89 10.248 53.525 -30.709 718 3HD2 LEU 89 3HD2 LEU 89 10.024 53.879 -28.995 719 H GLY 90 H GLY 90 12.899 55.113 -34.337 720 1HA GLY 90 1HA GLY 90 15.310 56.106 -32.882 721 2HA GLY 90 2HA GLY 90 15.226 54.811 -34.085 722 H GLU 91 H GLU 91 15.253 58.283 -33.592 723 HA GLU 91 HA GLU 91 14.840 59.014 -36.308 724 1HB GLU 91 1HB GLU 91 14.504 60.580 -34.427 725 2HB GLU 91 2HB GLU 91 16.249 60.601 -34.106 726 1HG GLU 91 1HG GLU 91 15.449 62.591 -35.318 727 2HG GLU 91 2HG GLU 91 16.662 61.702 -36.238 728 H ASP 92 H ASP 92 16.485 59.876 -37.861 729 HA ASP 92 HA ASP 92 19.114 58.488 -37.622 730 1HB ASP 92 1HB ASP 92 17.610 57.618 -39.365 731 2HB ASP 92 2HB ASP 92 17.438 59.245 -40.049 732 H ASP 93 H ASP 93 20.881 59.577 -38.942 733 HA ASP 93 HA ASP 93 20.752 62.354 -39.552 734 1HB ASP 93 1HB ASP 93 20.890 62.528 -37.051 735 2HB ASP 93 2HB ASP 93 22.364 61.548 -37.080 736 H VAL 94 H VAL 94 22.993 63.055 -40.353 737 HA VAL 94 HA VAL 94 24.870 60.845 -40.950 738 HB VAL 94 HB VAL 94 23.604 62.580 -43.117 739 1HG1 VAL 94 1HG1 VAL 94 25.657 60.329 -43.258 740 2HG1 VAL 94 2HG1 VAL 94 24.867 61.069 -44.664 741 3HG1 VAL 94 3HG1 VAL 94 25.932 62.038 -43.653 742 1HG2 VAL 94 1HG2 VAL 94 23.236 59.607 -42.551 743 2HG2 VAL 94 2HG2 VAL 94 21.979 60.865 -42.465 744 3HG2 VAL 94 3HG2 VAL 94 22.691 60.442 -44.018 745 H GLU 95 H GLU 95 26.972 61.563 -41.178 746 HA GLU 95 HA GLU 95 27.670 64.077 -40.050 747 1HB GLU 95 1HB GLU 95 29.356 62.095 -41.654 748 2HB GLU 95 2HB GLU 95 29.946 63.426 -40.661 749 1HG GLU 95 1HG GLU 95 30.229 61.568 -39.288 750 2HG GLU 95 2HG GLU 95 28.767 62.339 -38.662 751 1H GLY 1 1H GLY 1 -11.668 19.973 -24.723 752 2H GLY 1 2H GLY 1 -12.954 20.657 -25.518 753 3H GLY 1 3H GLY 1 -11.718 21.595 -24.943 754 1HA GLY 1 1HA GLY 1 -13.600 21.813 -23.517 755 2HA GLY 1 2HA GLY 1 -13.591 20.041 -23.314 756 HA PRO 2 HA PRO 2 -10.743 22.102 -20.139 757 1HB PRO 2 1HB PRO 2 -12.158 21.767 -17.839 758 2HB PRO 2 2HB PRO 2 -12.506 23.090 -18.979 759 1HG PRO 2 1HG PRO 2 -13.908 20.404 -18.831 760 2HG PRO 2 2HG PRO 2 -14.660 22.029 -18.810 761 1HD PRO 2 1HD PRO 2 -14.420 20.582 -21.110 762 2HD PRO 2 2HD PRO 2 -14.201 22.357 -21.116 763 H ARG 3 H ARG 3 -9.717 20.938 -18.230 764 HA ARG 3 HA ARG 3 -8.521 19.200 -17.450 765 1HB ARG 3 1HB ARG 3 -11.129 17.685 -17.902 766 2HB ARG 3 2HB ARG 3 -9.663 16.937 -17.291 767 1HG ARG 3 1HG ARG 3 -10.759 17.438 -15.341 768 2HG ARG 3 2HG ARG 3 -9.566 18.724 -15.476 769 1HD ARG 3 1HD ARG 3 -11.647 19.691 -14.748 770 2HD ARG 3 2HD ARG 3 -11.354 20.237 -16.378 771 HE ARG 3 HE ARG 3 -13.133 18.944 -17.181 772 1HH1 ARG 3 1HH1 ARG 3 -12.627 18.306 -13.724 773 2HH1 ARG 3 2HH1 ARG 3 -14.097 17.398 -13.536 774 1HH2 ARG 3 1HH2 ARG 3 -15.070 17.735 -16.929 775 2HH2 ARG 3 2HH2 ARG 3 -15.494 17.067 -15.381 776 H LEU 4 H LEU 4 -7.382 19.845 -19.374 777 HA LEU 4 HA LEU 4 -7.285 18.506 -21.827 778 1HB LEU 4 1HB LEU 4 -6.331 20.672 -21.387 779 2HB LEU 4 2HB LEU 4 -5.257 20.023 -20.144 780 HG LEU 4 HG LEU 4 -3.975 18.793 -21.902 781 1HD1 LEU 4 1HD1 LEU 4 -5.912 20.187 -23.771 782 2HD1 LEU 4 2HD1 LEU 4 -4.342 19.517 -24.251 783 3HD1 LEU 4 3HD1 LEU 4 -5.607 18.436 -23.617 784 1HD2 LEU 4 1HD2 LEU 4 -3.438 21.223 -21.173 785 2HD2 LEU 4 2HD2 LEU 4 -2.789 20.666 -22.717 786 3HD2 LEU 4 3HD2 LEU 4 -4.221 21.714 -22.679 787 H SER 5 H SER 5 -7.354 16.173 -21.574 788 HA SER 5 HA SER 5 -4.738 15.013 -21.145 789 1HB SER 5 1HB SER 5 -5.331 13.505 -19.305 790 2HB SER 5 2HB SER 5 -5.316 15.201 -18.832 791 HG SER 5 HG SER 5 -7.511 15.263 -18.813 792 H ARG 6 H ARG 6 -6.940 15.042 -23.245 793 HA ARG 6 HA ARG 6 -7.702 12.234 -23.439 794 1HB ARG 6 1HB ARG 6 -9.029 14.033 -24.464 795 2HB ARG 6 2HB ARG 6 -7.679 14.448 -25.536 796 1HG ARG 6 1HG ARG 6 -7.803 12.210 -26.589 797 2HG ARG 6 2HG ARG 6 -9.031 11.710 -25.416 798 1HD ARG 6 1HD ARG 6 -10.084 12.229 -27.517 799 2HD ARG 6 2HD ARG 6 -10.589 13.415 -26.296 800 HE ARG 6 HE ARG 6 -8.363 14.524 -27.594 801 1HH1 ARG 6 1HH1 ARG 6 -11.617 13.475 -28.507 802 2HH1 ARG 6 2HH1 ARG 6 -11.774 14.610 -29.818 803 1HH2 ARG 6 1HH2 ARG 6 -8.579 16.071 -29.292 804 2HH2 ARG 6 2HH2 ARG 6 -10.016 16.097 -30.273 805 H LEU 7 H LEU 7 -5.322 14.386 -24.932 806 HA LEU 7 HA LEU 7 -3.905 12.486 -26.538 807 1HB LEU 7 1HB LEU 7 -2.342 14.295 -26.853 808 2HB LEU 7 2HB LEU 7 -4.008 14.833 -27.014 809 HG LEU 7 HG LEU 7 -3.672 15.441 -24.409 810 1HD1 LEU 7 1HD1 LEU 7 -0.922 15.667 -25.713 811 2HD1 LEU 7 2HD1 LEU 7 -1.339 16.614 -24.290 812 3HD1 LEU 7 3HD1 LEU 7 -1.331 14.848 -24.264 813 1HD2 LEU 7 1HD2 LEU 7 -2.927 17.263 -26.653 814 2HD2 LEU 7 2HD2 LEU 7 -4.516 16.986 -25.887 815 3HD2 LEU 7 3HD2 LEU 7 -3.192 17.735 -24.966 816 H LEU 8 H LEU 8 -3.132 13.802 -23.283 817 HA LEU 8 HA LEU 8 -0.704 12.269 -23.033 818 1HB LEU 8 1HB LEU 8 -2.326 13.304 -20.785 819 2HB LEU 8 2HB LEU 8 -0.610 12.852 -20.795 820 HG LEU 8 HG LEU 8 -0.691 15.175 -20.519 821 1HD1 LEU 8 1HD1 LEU 8 0.303 14.467 -23.216 822 2HD1 LEU 8 2HD1 LEU 8 0.403 16.105 -22.600 823 3HD1 LEU 8 3HD1 LEU 8 1.156 14.761 -21.726 824 1HD2 LEU 8 1HD2 LEU 8 -2.832 15.373 -22.558 825 2HD2 LEU 8 2HD2 LEU 8 -2.744 15.957 -20.948 826 3HD2 LEU 8 3HD2 LEU 8 -1.811 16.737 -22.207 827 H SER 9 H SER 9 -0.682 10.239 -22.958 828 HA SER 9 HA SER 9 -1.512 8.190 -21.493 829 1HB SER 9 1HB SER 9 -3.911 8.628 -21.802 830 2HB SER 9 2HB SER 9 -3.699 8.776 -23.563 831 HG SER 9 HG SER 9 -4.484 6.724 -22.897 832 H TYR 10 H TYR 10 -1.379 9.652 -24.703 833 HA TYR 10 HA TYR 10 -0.320 7.595 -26.297 834 1HB TYR 10 1HB TYR 10 0.174 9.358 -27.787 835 2HB TYR 10 2HB TYR 10 -1.319 9.826 -26.990 836 HD1 TYR 10 HD1 TYR 10 0.474 10.891 -24.355 837 HD2 TYR 10 HD2 TYR 10 0.455 11.684 -28.612 838 HE1 TYR 10 HE1 TYR 10 1.507 12.968 -23.934 839 HE2 TYR 10 HE2 TYR 10 1.511 13.842 -28.151 840 HH TYR 10 HH TYR 10 2.353 14.945 -24.861 841 H ALA 11 H ALA 11 1.025 9.156 -23.583 842 HA ALA 11 HA ALA 11 3.648 8.046 -23.666 843 1HB ALA 11 1HB ALA 11 3.895 10.201 -24.997 844 2HB ALA 11 2HB ALA 11 3.143 11.075 -23.650 845 3HB ALA 11 3HB ALA 11 4.711 10.290 -23.416 Start of MODEL 7 1 1H ARG 1 1H ARG 1 -1.838 5.738 -3.650 2 2H ARG 1 2H ARG 1 -1.671 4.106 -3.898 3 3H ARG 1 3H ARG 1 -2.122 4.692 -2.420 4 HA ARG 1 HA ARG 1 0.146 4.062 -2.312 5 1HB ARG 1 1HB ARG 1 0.474 6.097 -4.563 6 2HB ARG 1 2HB ARG 1 1.794 5.361 -3.649 7 1HG ARG 1 1HG ARG 1 1.080 3.103 -4.478 8 2HG ARG 1 2HG ARG 1 -0.140 3.896 -5.504 9 1HD ARG 1 1HD ARG 1 1.692 5.223 -6.594 10 2HD ARG 1 2HD ARG 1 2.867 4.411 -5.574 11 HE ARG 1 HE ARG 1 2.667 2.432 -6.750 12 1HH1 ARG 1 1HH1 ARG 1 0.407 4.807 -8.124 13 2HH1 ARG 1 2HH1 ARG 1 0.497 4.130 -9.726 14 1HH2 ARG 1 1HH2 ARG 1 2.767 1.575 -8.868 15 2HH2 ARG 1 2HH2 ARG 1 1.833 2.296 -10.143 16 H ALA 2 H ALA 2 1.533 5.255 -0.873 17 HA ALA 2 HA ALA 2 0.255 7.593 0.328 18 1HB ALA 2 1HB ALA 2 1.196 5.815 1.741 19 2HB ALA 2 2HB ALA 2 2.807 6.087 1.040 20 3HB ALA 2 3HB ALA 2 2.036 7.353 2.020 21 H GLY 3 H GLY 3 1.497 9.678 0.635 22 1HA GLY 3 1HA GLY 3 2.702 11.434 -0.168 23 2HA GLY 3 2HA GLY 3 3.968 10.260 -0.576 24 H LEU 4 H LEU 4 4.505 10.477 -2.652 25 HA LEU 4 HA LEU 4 4.422 10.576 -4.975 26 1HB LEU 4 1HB LEU 4 2.832 8.721 -4.568 27 2HB LEU 4 2HB LEU 4 1.512 9.882 -4.732 28 HG LEU 4 HG LEU 4 2.168 10.320 -7.090 29 1HD1 LEU 4 1HD1 LEU 4 4.156 8.020 -6.679 30 2HD1 LEU 4 2HD1 LEU 4 3.670 8.704 -8.236 31 3HD1 LEU 4 3HD1 LEU 4 4.597 9.689 -7.106 32 1HD2 LEU 4 1HD2 LEU 4 1.732 7.465 -6.249 33 2HD2 LEU 4 2HD2 LEU 4 0.484 8.718 -6.463 34 3HD2 LEU 4 3HD2 LEU 4 1.403 8.129 -7.872 35 H SER 5 H SER 5 3.560 11.747 -6.805 36 HA SER 5 HA SER 5 2.891 13.664 -7.935 37 1HB SER 5 1HB SER 5 1.106 14.275 -5.559 38 2HB SER 5 2HB SER 5 0.944 14.833 -7.233 39 HG SER 5 HG SER 5 -0.367 12.974 -6.557 40 H LYS 6 H LYS 6 2.826 16.043 -7.889 41 HA LYS 6 HA LYS 6 4.119 17.891 -7.838 42 1HB LYS 6 1HB LYS 6 3.938 17.576 -4.808 43 2HB LYS 6 2HB LYS 6 4.204 19.050 -5.732 44 1HG LYS 6 1HG LYS 6 2.014 19.399 -5.393 45 2HG LYS 6 2HG LYS 6 1.796 18.333 -6.785 46 1HD LYS 6 1HD LYS 6 1.595 16.405 -5.114 47 2HD LYS 6 2HD LYS 6 1.780 17.582 -3.818 48 1HE LYS 6 1HE LYS 6 -0.557 17.141 -4.002 49 2HE LYS 6 2HE LYS 6 -0.285 18.772 -4.636 50 1HZ LYS 6 1HZ LYS 6 -0.358 17.770 -6.881 51 2HZ LYS 6 2HZ LYS 6 -0.689 16.315 -6.219 52 3HZ LYS 6 3HZ LYS 6 -1.753 17.553 -6.038 53 H LEU 7 H LEU 7 5.779 16.034 -8.582 54 HA LEU 7 HA LEU 7 7.926 15.332 -8.668 55 1HB LEU 7 1HB LEU 7 8.428 18.047 -7.406 56 2HB LEU 7 2HB LEU 7 9.624 17.081 -8.267 57 HG LEU 7 HG LEU 7 7.071 18.189 -9.518 58 1HD1 LEU 7 1HD1 LEU 7 8.558 20.000 -8.780 59 2HD1 LEU 7 2HD1 LEU 7 9.915 19.255 -9.652 60 3HD1 LEU 7 3HD1 LEU 7 8.514 19.885 -10.545 61 1HD2 LEU 7 1HD2 LEU 7 9.574 17.007 -10.810 62 2HD2 LEU 7 2HD2 LEU 7 7.966 16.243 -10.786 63 3HD2 LEU 7 3HD2 LEU 7 8.231 17.748 -11.667 64 HA PRO 8 HA PRO 8 8.205 14.022 -4.242 65 1HB PRO 8 1HB PRO 8 7.748 11.362 -4.484 66 2HB PRO 8 2HB PRO 8 6.440 12.565 -4.583 67 1HG PRO 8 1HG PRO 8 7.848 11.258 -6.929 68 2HG PRO 8 2HG PRO 8 6.101 11.422 -6.636 69 1HD PRO 8 1HD PRO 8 7.547 13.172 -8.182 70 2HD PRO 8 2HD PRO 8 6.107 13.673 -7.252 71 H ASP 9 H ASP 9 9.436 11.087 -5.706 72 HA ASP 9 HA ASP 9 12.135 11.810 -4.905 73 1HB ASP 9 1HB ASP 9 11.247 9.489 -4.672 74 2HB ASP 9 2HB ASP 9 11.204 9.353 -6.439 75 H LEU 10 H LEU 10 10.276 11.873 -7.876 76 HA LEU 10 HA LEU 10 10.503 12.716 -9.816 77 1HB LEU 10 1HB LEU 10 12.166 14.219 -8.116 78 2HB LEU 10 2HB LEU 10 13.280 13.773 -9.401 79 HG LEU 10 HG LEU 10 10.744 15.518 -9.572 80 1HD1 LEU 10 1HD1 LEU 10 13.715 15.931 -9.698 81 2HD1 LEU 10 2HD1 LEU 10 12.447 17.185 -9.896 82 3HD1 LEU 10 3HD1 LEU 10 12.622 16.321 -8.347 83 1HD2 LEU 10 1HD2 LEU 10 12.758 14.693 -11.739 84 2HD2 LEU 10 2HD2 LEU 10 11.035 14.260 -11.712 85 3HD2 LEU 10 3HD2 LEU 10 11.514 15.952 -11.911 86 H LYS 11 H LYS 11 12.624 10.396 -8.876 87 HA LYS 11 HA LYS 11 14.121 10.124 -11.394 88 1HB LYS 11 1HB LYS 11 13.801 8.299 -8.995 89 2HB LYS 11 2HB LYS 11 14.682 7.849 -10.450 90 1HG LYS 11 1HG LYS 11 16.253 8.545 -8.812 91 2HG LYS 11 2HG LYS 11 16.291 9.700 -10.156 92 1HD LYS 11 1HD LYS 11 15.269 11.404 -8.862 93 2HD LYS 11 2HD LYS 11 14.528 10.194 -7.794 94 1HE LYS 11 1HE LYS 11 16.872 9.703 -6.901 95 2HE LYS 11 2HE LYS 11 17.353 11.211 -7.708 96 1HZ LYS 11 1HZ LYS 11 15.463 12.227 -6.459 97 2HZ LYS 11 2HZ LYS 11 15.309 10.839 -5.611 98 3HZ LYS 11 3HZ LYS 11 16.708 11.706 -5.495 99 H ASP 12 H ASP 12 11.110 8.837 -10.023 100 HA ASP 12 HA ASP 12 10.873 6.689 -11.954 101 1HB ASP 12 1HB ASP 12 8.810 7.922 -10.103 102 2HB ASP 12 2HB ASP 12 8.616 6.414 -11.014 103 H ALA 13 H ALA 13 9.658 6.550 -13.701 104 HA ALA 13 HA ALA 13 9.103 8.932 -15.218 105 1HB ALA 13 1HB ALA 13 10.062 6.919 -16.253 106 2HB ALA 13 2HB ALA 13 8.586 6.005 -15.868 107 3HB ALA 13 3HB ALA 13 8.522 7.358 -17.019 108 H GLU 14 H GLU 14 7.100 6.480 -13.673 109 HA GLU 14 HA GLU 14 4.612 7.437 -14.720 110 1HB GLU 14 1HB GLU 14 3.517 6.147 -13.016 111 2HB GLU 14 2HB GLU 14 4.798 5.204 -13.792 112 1HG GLU 14 1HG GLU 14 6.226 5.464 -11.812 113 2HG GLU 14 2HG GLU 14 5.026 6.520 -11.045 114 H ALA 15 H ALA 15 6.507 8.312 -11.904 115 HA ALA 15 HA ALA 15 4.537 10.020 -10.658 116 1HB ALA 15 1HB ALA 15 6.434 9.033 -9.407 117 2HB ALA 15 2HB ALA 15 7.572 10.011 -10.365 118 3HB ALA 15 3HB ALA 15 6.414 10.804 -9.281 119 H VAL 16 H VAL 16 7.111 10.443 -12.984 120 HA VAL 16 HA VAL 16 6.996 13.374 -13.036 121 HB VAL 16 HB VAL 16 8.663 11.304 -14.281 122 1HG1 VAL 16 1HG1 VAL 16 8.184 13.740 -15.940 123 2HG1 VAL 16 2HG1 VAL 16 9.489 12.541 -16.125 124 3HG1 VAL 16 3HG1 VAL 16 7.820 12.043 -16.377 125 1HG2 VAL 16 1HG2 VAL 16 9.397 12.586 -12.463 126 2HG2 VAL 16 2HG2 VAL 16 10.425 12.725 -13.901 127 3HG2 VAL 16 3HG2 VAL 16 9.315 14.062 -13.478 128 H GLN 17 H GLN 17 5.692 10.663 -14.900 129 HA GLN 17 HA GLN 17 4.500 12.295 -16.937 130 1HB GLN 17 1HB GLN 17 4.850 9.800 -17.181 131 2HB GLN 17 2HB GLN 17 3.566 9.543 -15.993 132 1HG GLN 17 1HG GLN 17 2.678 9.264 -18.236 133 2HG GLN 17 2HG GLN 17 1.932 10.661 -17.471 134 1HE2 GLN 17 2HE2 GLN 17 5.076 10.181 -19.236 135 2HE2 GLN 17 1HE2 GLN 17 4.776 11.453 -20.401 136 H LYS 18 H LYS 18 3.296 10.885 -13.861 137 HA LYS 18 HA LYS 18 0.683 11.980 -14.270 138 1HB LYS 18 1HB LYS 18 -0.016 11.096 -12.350 139 2HB LYS 18 2HB LYS 18 1.302 10.041 -12.795 140 1HG LYS 18 1HG LYS 18 1.547 10.265 -10.529 141 2HG LYS 18 2HG LYS 18 2.773 11.346 -11.173 142 1HD LYS 18 1HD LYS 18 1.525 12.105 -9.151 143 2HD LYS 18 2HD LYS 18 1.548 13.299 -10.430 144 1HE LYS 18 1HE LYS 18 -0.827 11.424 -10.348 145 2HE LYS 18 2HE LYS 18 -0.683 12.574 -9.032 146 1HZ LYS 18 1HZ LYS 18 -0.546 13.511 -11.794 147 2HZ LYS 18 2HZ LYS 18 -1.954 13.384 -10.932 148 3HZ LYS 18 3HZ LYS 18 -0.753 14.359 -10.388 149 H PHE 19 H PHE 19 3.585 13.332 -12.731 150 HA PHE 19 HA PHE 19 2.261 15.661 -11.639 151 1HB PHE 19 1HB PHE 19 4.345 15.261 -10.664 152 2HB PHE 19 2HB PHE 19 5.106 14.856 -12.203 153 HD1 PHE 19 HD1 PHE 19 4.008 17.733 -10.097 154 HD2 PHE 19 HD2 PHE 19 5.937 16.472 -13.740 155 HE1 PHE 19 HE1 PHE 19 4.861 20.047 -10.462 156 HE2 PHE 19 HE2 PHE 19 6.744 18.810 -14.076 157 HZ PHE 19 HZ PHE 19 6.265 20.523 -12.543 158 H PHE 20 H PHE 20 4.052 14.981 -14.650 159 HA PHE 20 HA PHE 20 4.062 17.530 -15.819 160 1HB PHE 20 1HB PHE 20 5.367 15.836 -16.774 161 2HB PHE 20 2HB PHE 20 4.012 14.730 -16.957 162 HD1 PHE 20 HD1 PHE 20 5.197 18.062 -18.182 163 HD2 PHE 20 HD2 PHE 20 3.147 14.382 -19.062 164 HE1 PHE 20 HE1 PHE 20 5.040 18.717 -20.570 165 HE2 PHE 20 HE2 PHE 20 2.995 15.034 -21.448 166 HZ PHE 20 HZ PHE 20 3.957 17.190 -22.200 167 H LEU 21 H LEU 21 1.672 14.870 -16.085 168 HA LEU 21 HA LEU 21 -0.336 16.391 -17.509 169 1HB LEU 21 1HB LEU 21 -0.039 13.686 -16.196 170 2HB LEU 21 2HB LEU 21 -1.656 14.313 -16.164 171 HG LEU 21 HG LEU 21 -0.165 14.012 -18.851 172 1HD1 LEU 21 1HD1 LEU 21 -1.986 12.079 -17.358 173 2HD1 LEU 21 2HD1 LEU 21 -1.400 11.906 -19.028 174 3HD1 LEU 21 3HD1 LEU 21 -0.256 11.852 -17.684 175 1HD2 LEU 21 1HD2 LEU 21 -3.041 14.473 -17.930 176 2HD2 LEU 21 2HD2 LEU 21 -2.020 15.553 -18.913 177 3HD2 LEU 21 3HD2 LEU 21 -2.579 14.005 -19.553 178 H GLU 22 H GLU 22 0.359 15.954 -14.086 179 HA GLU 22 HA GLU 22 -2.101 16.966 -13.131 180 1HB GLU 22 1HB GLU 22 -0.158 15.965 -11.766 181 2HB GLU 22 2HB GLU 22 0.565 17.578 -11.781 182 1HG GLU 22 1HG GLU 22 -1.317 18.490 -10.595 183 2HG GLU 22 2HG GLU 22 -2.230 16.982 -10.760 184 H GLU 23 H GLU 23 0.817 18.617 -14.379 185 HA GLU 23 HA GLU 23 -0.184 21.303 -13.769 186 1HB GLU 23 1HB GLU 23 2.241 20.290 -15.306 187 2HB GLU 23 2HB GLU 23 1.797 21.996 -15.141 188 1HG GLU 23 1HG GLU 23 1.756 21.642 -12.606 189 2HG GLU 23 2HG GLU 23 2.544 20.082 -12.909 190 H ILE 24 H ILE 24 0.170 19.261 -16.678 191 HA ILE 24 HA ILE 24 -0.774 21.192 -18.576 192 HB ILE 24 HB ILE 24 -0.539 18.195 -18.537 193 1HG1 ILE 24 1HG1 ILE 24 0.299 20.306 -20.474 194 2HG1 ILE 24 2HG1 ILE 24 1.156 18.887 -19.866 195 1HG2 ILE 24 1HG2 ILE 24 -2.904 18.170 -18.964 196 2HG2 ILE 24 2HG2 ILE 24 -2.630 19.203 -20.384 197 3HG2 ILE 24 3HG2 ILE 24 -1.954 17.565 -20.257 198 1HD1 ILE 24 1HD1 ILE 24 -1.078 18.760 -21.945 199 2HD1 ILE 24 2HD1 ILE 24 0.624 18.824 -22.252 200 3HD1 ILE 24 3HD1 ILE 24 -0.008 17.447 -21.357 201 H GLN 25 H GLN 25 -2.554 18.935 -16.494 202 HA GLN 25 HA GLN 25 -5.158 20.005 -17.332 203 1HB GLN 25 1HB GLN 25 -4.408 18.147 -15.028 204 2HB GLN 25 2HB GLN 25 -6.048 18.438 -15.617 205 1HG GLN 25 1HG GLN 25 -5.550 17.294 -17.749 206 2HG GLN 25 2HG GLN 25 -3.866 17.064 -17.286 207 1HE2 GLN 25 2HE2 GLN 25 -3.524 15.980 -15.094 208 2HE2 GLN 25 1HE2 GLN 25 -4.518 14.553 -14.823 209 H LEU 26 H LEU 26 -3.302 20.296 -14.352 210 HA LEU 26 HA LEU 26 -5.150 21.901 -12.917 211 1HB LEU 26 1HB LEU 26 -3.278 20.929 -11.803 212 2HB LEU 26 2HB LEU 26 -2.120 21.830 -12.815 213 HG LEU 26 HG LEU 26 -2.076 22.548 -10.594 214 1HD1 LEU 26 1HD1 LEU 26 -1.785 24.251 -12.462 215 2HD1 LEU 26 2HD1 LEU 26 -3.408 24.844 -12.028 216 3HD1 LEU 26 3HD1 LEU 26 -2.125 24.863 -10.825 217 1HD2 LEU 26 1HD2 LEU 26 -4.318 21.913 -9.961 218 2HD2 LEU 26 2HD2 LEU 26 -3.959 23.596 -9.493 219 3HD2 LEU 26 3HD2 LEU 26 -4.988 23.263 -10.922 220 H GLY 27 H GLY 27 -2.550 22.844 -15.174 221 1HA GLY 27 1HA GLY 27 -2.956 25.677 -15.099 222 2HA GLY 27 2HA GLY 27 -2.242 24.782 -16.464 223 H GLU 28 H GLU 28 -4.099 23.328 -17.702 224 HA GLU 28 HA GLU 28 -5.774 25.164 -18.903 225 1HB GLU 28 1HB GLU 28 -5.365 22.700 -19.585 226 2HB GLU 28 2HB GLU 28 -6.722 22.337 -18.504 227 1HG GLU 28 1HG GLU 28 -7.857 24.397 -19.885 228 2HG GLU 28 2HG GLU 28 -6.638 23.965 -21.078 229 H GLU 29 H GLU 29 -6.575 23.267 -16.048 230 HA GLU 29 HA GLU 29 -9.291 24.126 -15.754 231 1HB GLU 29 1HB GLU 29 -8.552 22.169 -14.605 232 2HB GLU 29 2HB GLU 29 -7.325 23.076 -13.694 233 1HG GLU 29 1HG GLU 29 -9.083 24.294 -12.492 234 2HG GLU 29 2HG GLU 29 -10.326 23.466 -13.454 235 H LEU 30 H LEU 30 -6.253 25.503 -14.323 236 HA LEU 30 HA LEU 30 -7.698 27.570 -12.951 237 1HB LEU 30 1HB LEU 30 -4.805 27.115 -13.814 238 2HB LEU 30 2HB LEU 30 -5.266 28.740 -13.364 239 HG LEU 30 HG LEU 30 -5.385 26.321 -11.515 240 1HD1 LEU 30 1HD1 LEU 30 -3.116 27.215 -12.114 241 2HD1 LEU 30 2HD1 LEU 30 -3.624 28.797 -11.487 242 3HD1 LEU 30 3HD1 LEU 30 -3.529 27.398 -10.397 243 1HD2 LEU 30 1HD2 LEU 30 -6.018 29.287 -11.013 244 2HD2 LEU 30 2HD2 LEU 30 -7.163 27.941 -10.845 245 3HD2 LEU 30 3HD2 LEU 30 -5.793 28.077 -9.742 246 H LEU 31 H LEU 31 -6.371 27.344 -16.217 247 HA LEU 31 HA LEU 31 -7.106 30.088 -16.949 248 1HB LEU 31 1HB LEU 31 -6.597 27.540 -18.502 249 2HB LEU 31 2HB LEU 31 -6.933 29.090 -19.276 250 HG LEU 31 HG LEU 31 -4.928 30.001 -18.745 251 1HD1 LEU 31 1HD1 LEU 31 -5.069 29.767 -16.190 252 2HD1 LEU 31 2HD1 LEU 31 -4.184 28.249 -16.397 253 3HD1 LEU 31 3HD1 LEU 31 -3.527 29.783 -16.957 254 1HD2 LEU 31 1HD2 LEU 31 -4.749 27.858 -20.019 255 2HD2 LEU 31 2HD2 LEU 31 -3.249 28.335 -19.186 256 3HD2 LEU 31 3HD2 LEU 31 -4.282 27.061 -18.503 257 H ALA 32 H ALA 32 -8.811 27.039 -16.796 258 HA ALA 32 HA ALA 32 -11.146 27.897 -18.164 259 1HB ALA 32 1HB ALA 32 -10.585 25.489 -17.392 260 2HB ALA 32 2HB ALA 32 -11.241 25.967 -15.810 261 3HB ALA 32 3HB ALA 32 -12.269 26.019 -17.227 262 H GLN 33 H GLN 33 -9.795 28.813 -15.105 263 HA GLN 33 HA GLN 33 -12.297 30.033 -14.158 264 1HB GLN 33 1HB GLN 33 -10.148 28.787 -12.863 265 2HB GLN 33 2HB GLN 33 -9.815 30.503 -12.608 266 1HG GLN 33 1HG GLN 33 -12.461 29.088 -12.020 267 2HG GLN 33 2HG GLN 33 -11.191 29.395 -10.834 268 1HE2 GLN 33 2HE2 GLN 33 -13.784 30.887 -12.734 269 2HE2 GLN 33 1HE2 GLN 33 -13.703 32.447 -11.944 270 H GLY 34 H GLY 34 -9.130 30.694 -15.442 271 1HA GLY 34 1HA GLY 34 -9.083 32.545 -17.114 272 2HA GLY 34 2HA GLY 34 -9.736 33.599 -15.859 273 H ASP 35 H ASP 35 -7.418 31.292 -14.624 274 HA ASP 35 HA ASP 35 -5.591 33.592 -14.216 275 1HB ASP 35 1HB ASP 35 -6.353 32.023 -12.377 276 2HB ASP 35 2HB ASP 35 -5.223 30.844 -13.047 277 H TYR 36 H TYR 36 -5.458 33.308 -16.684 278 HA TYR 36 HA TYR 36 -3.835 31.743 -18.197 279 1HB TYR 36 1HB TYR 36 -3.689 34.729 -18.350 280 2HB TYR 36 2HB TYR 36 -3.593 33.540 -19.646 281 HD1 TYR 36 HD1 TYR 36 -5.921 31.883 -19.493 282 HD2 TYR 36 HD2 TYR 36 -5.584 36.075 -18.533 283 HE1 TYR 36 HE1 TYR 36 -8.330 32.172 -19.923 284 HE2 TYR 36 HE2 TYR 36 -8.002 36.361 -18.969 285 HH TYR 36 HH TYR 36 -10.108 33.642 -19.953 286 H GLU 37 H GLU 37 -2.720 34.286 -16.102 287 HA GLU 37 HA GLU 37 0.012 34.130 -16.877 288 1HB GLU 37 1HB GLU 37 -1.146 35.166 -14.257 289 2HB GLU 37 2HB GLU 37 0.536 35.335 -14.792 290 1HG GLU 37 1HG GLU 37 -0.557 36.355 -16.992 291 2HG GLU 37 2HG GLU 37 -1.947 36.629 -15.931 292 H LYS 38 H LYS 38 -1.782 32.418 -14.429 293 HA LYS 38 HA LYS 38 0.594 31.032 -13.469 294 1HB LYS 38 1HB LYS 38 -2.163 31.293 -12.647 295 2HB LYS 38 2HB LYS 38 -1.862 29.578 -12.847 296 1HG LYS 38 1HG LYS 38 -0.127 31.456 -11.175 297 2HG LYS 38 2HG LYS 38 -1.478 30.520 -10.524 298 1HD LYS 38 1HD LYS 38 -0.501 28.442 -11.053 299 2HD LYS 38 2HD LYS 38 0.758 29.157 -12.084 300 1HE LYS 38 1HE LYS 38 1.745 30.223 -10.030 301 2HE LYS 38 2HE LYS 38 0.559 29.323 -9.059 302 1HZ LYS 38 1HZ LYS 38 1.464 27.293 -10.081 303 2HZ LYS 38 2HZ LYS 38 2.616 28.180 -10.839 304 3HZ LYS 38 3HZ LYS 38 2.603 28.113 -9.194 305 H GLY 39 H GLY 39 -1.816 30.496 -15.992 306 1HA GLY 39 1HA GLY 39 -1.156 27.736 -16.500 307 2HA GLY 39 2HA GLY 39 -1.800 28.886 -17.691 308 H VAL 40 H VAL 40 0.257 30.871 -17.524 309 HA VAL 40 HA VAL 40 2.018 29.719 -19.477 310 HB VAL 40 HB VAL 40 2.265 32.316 -17.871 311 1HG1 VAL 40 1HG1 VAL 40 3.972 31.334 -20.166 312 2HG1 VAL 40 2HG1 VAL 40 3.926 33.000 -19.564 313 3HG1 VAL 40 3HG1 VAL 40 4.508 31.711 -18.520 314 1HG2 VAL 40 1HG2 VAL 40 1.334 31.718 -20.730 315 2HG2 VAL 40 2HG2 VAL 40 0.421 32.519 -19.444 316 3HG2 VAL 40 3HG2 VAL 40 1.785 33.316 -20.194 317 H ASP 41 H ASP 41 2.352 30.294 -15.999 318 HA ASP 41 HA ASP 41 5.062 29.391 -15.743 319 1HB ASP 41 1HB ASP 41 4.293 30.653 -13.920 320 2HB ASP 41 2HB ASP 41 2.773 29.767 -13.801 321 H HIS 42 H HIS 42 2.004 27.739 -15.126 322 HA HIS 42 HA HIS 42 3.220 25.218 -14.489 323 1HB HIS 42 1HB HIS 42 0.374 26.008 -15.127 324 2HB HIS 42 2HB HIS 42 0.835 24.308 -14.965 325 HD1 HIS 42 HD1 HIS 42 2.498 23.921 -12.637 326 HD2 HIS 42 HD2 HIS 42 -0.472 26.879 -12.665 327 HE1 HIS 42 HE1 HIS 42 1.957 24.453 -10.227 328 H LEU 43 H LEU 43 2.149 26.621 -17.587 329 HA LEU 43 HA LEU 43 2.513 24.042 -18.884 330 1HB LEU 43 1HB LEU 43 1.217 26.227 -19.781 331 2HB LEU 43 2HB LEU 43 2.810 26.565 -20.472 332 HG LEU 43 HG LEU 43 2.642 23.984 -21.157 333 1HD1 LEU 43 1HD1 LEU 43 0.456 23.621 -19.921 334 2HD1 LEU 43 2HD1 LEU 43 -0.310 24.824 -20.975 335 3HD1 LEU 43 3HD1 LEU 43 0.297 23.308 -21.658 336 1HD2 LEU 43 1HD2 LEU 43 1.073 26.218 -22.534 337 2HD2 LEU 43 2HD2 LEU 43 2.770 25.750 -22.828 338 3HD2 LEU 43 3HD2 LEU 43 1.454 24.654 -23.287 339 H THR 44 H THR 44 4.474 27.027 -18.356 340 HA THR 44 HA THR 44 6.764 26.257 -19.762 341 HB THR 44 HB THR 44 6.647 27.911 -17.242 342 HG1 THR 44 HG1 THR 44 5.618 28.759 -19.071 343 1HG2 THR 44 1HG2 THR 44 8.920 27.396 -19.212 344 2HG2 THR 44 2HG2 THR 44 8.881 28.729 -18.042 345 3HG2 THR 44 3HG2 THR 44 8.934 27.058 -17.466 346 H ASN 45 H ASN 45 5.683 25.358 -16.568 347 HA ASN 45 HA ASN 45 7.993 23.908 -15.668 348 1HB ASN 45 1HB ASN 45 5.105 23.683 -14.853 349 2HB ASN 45 2HB ASN 45 6.468 22.924 -13.997 350 1HD2 ASN 45 2HD2 ASN 45 4.723 24.487 -12.654 351 2HD2 ASN 45 1HD2 ASN 45 5.420 26.075 -12.270 352 H ALA 46 H ALA 46 4.935 22.955 -17.324 353 HA ALA 46 HA ALA 46 5.367 20.199 -17.354 354 1HB ALA 46 1HB ALA 46 3.248 21.342 -17.935 355 2HB ALA 46 2HB ALA 46 3.927 21.802 -19.507 356 3HB ALA 46 3HB ALA 46 3.696 20.099 -19.090 357 H ILE 47 H ILE 47 6.458 22.754 -19.624 358 HA ILE 47 HA ILE 47 7.936 21.012 -21.368 359 HB ILE 47 HB ILE 47 8.260 23.980 -20.797 360 1HG1 ILE 47 1HG1 ILE 47 7.493 24.116 -23.282 361 2HG1 ILE 47 2HG1 ILE 47 6.963 22.436 -23.103 362 1HG2 ILE 47 1HG2 ILE 47 9.876 22.385 -22.735 363 2HG2 ILE 47 2HG2 ILE 47 9.751 24.164 -22.721 364 3HG2 ILE 47 3HG2 ILE 47 10.449 23.339 -21.357 365 1HD1 ILE 47 1HD1 ILE 47 6.091 24.739 -21.337 366 2HD1 ILE 47 2HD1 ILE 47 5.204 24.224 -22.770 367 3HD1 ILE 47 3HD1 ILE 47 5.374 23.091 -21.430 368 H ALA 48 H ALA 48 8.788 22.572 -18.376 369 HA ALA 48 HA ALA 48 11.598 22.191 -18.564 370 1HB ALA 48 1HB ALA 48 10.544 23.793 -16.978 371 2HB ALA 48 2HB ALA 48 9.998 22.412 -15.991 372 3HB ALA 48 3HB ALA 48 11.726 22.707 -16.218 373 H VAL 49 H VAL 49 8.991 20.070 -17.537 374 HA VAL 49 HA VAL 49 11.000 18.038 -16.688 375 HB VAL 49 HB VAL 49 9.268 16.925 -15.638 376 1HG1 VAL 49 1HG1 VAL 49 10.292 19.120 -14.692 377 2HG1 VAL 49 2HG1 VAL 49 8.706 19.841 -15.003 378 3HG1 VAL 49 3HG1 VAL 49 8.861 18.460 -13.894 379 1HG2 VAL 49 1HG2 VAL 49 7.399 17.452 -17.340 380 2HG2 VAL 49 2HG2 VAL 49 6.974 17.386 -15.642 381 3HG2 VAL 49 3HG2 VAL 49 7.170 18.961 -16.428 382 H CYS 50 H CYS 50 9.033 18.890 -19.434 383 HA CYS 50 HA CYS 50 8.969 16.089 -20.406 384 1HB CYS 50 1HB CYS 50 7.066 17.362 -20.829 385 2HB CYS 50 2HB CYS 50 7.974 18.693 -21.585 386 HG CYS 50 HG CYS 50 7.875 15.534 -22.541 387 H GLY 51 H GLY 51 10.511 19.208 -21.416 388 1HA GLY 51 1HA GLY 51 12.601 19.526 -22.320 389 2HA GLY 51 2HA GLY 51 12.916 17.789 -22.281 390 H GLN 52 H GLN 52 9.942 18.405 -23.772 391 HA GLN 52 HA GLN 52 11.021 18.636 -26.585 392 1HB GLN 52 1HB GLN 52 10.549 16.240 -25.822 393 2HB GLN 52 2HB GLN 52 8.854 16.710 -25.739 394 1HG GLN 52 1HG GLN 52 9.238 15.745 -27.912 395 2HG GLN 52 2HG GLN 52 9.039 17.494 -28.139 396 1HE2 GLN 52 2HE2 GLN 52 11.723 15.145 -27.474 397 2HE2 GLN 52 1HE2 GLN 52 12.829 15.890 -28.608 398 HA PRO 53 HA PRO 53 7.731 21.647 -25.048 399 1HB PRO 53 1HB PRO 53 8.812 23.851 -26.457 400 2HB PRO 53 2HB PRO 53 9.066 23.465 -24.747 401 1HG PRO 53 1HG PRO 53 10.835 22.745 -27.080 402 2HG PRO 53 2HG PRO 53 11.313 23.404 -25.487 403 1HD PRO 53 1HD PRO 53 11.566 20.814 -25.935 404 2HD PRO 53 2HD PRO 53 10.840 21.355 -24.403 405 H GLN 54 H GLN 54 9.270 21.739 -28.216 406 HA GLN 54 HA GLN 54 7.036 22.734 -29.638 407 1HB GLN 54 1HB GLN 54 9.284 20.978 -30.750 408 2HB GLN 54 2HB GLN 54 8.219 22.056 -31.664 409 1HG GLN 54 1HG GLN 54 9.197 24.004 -30.288 410 2HG GLN 54 2HG GLN 54 10.417 22.873 -29.694 411 1HE2 GLN 54 2HE2 GLN 54 11.725 21.687 -31.405 412 2HE2 GLN 54 1HE2 GLN 54 12.085 22.574 -32.874 413 H GLN 55 H GLN 55 7.931 19.281 -29.195 414 HA GLN 55 HA GLN 55 5.776 18.360 -30.795 415 1HB GLN 55 1HB GLN 55 7.588 16.840 -29.950 416 2HB GLN 55 2HB GLN 55 6.875 16.959 -28.323 417 1HG GLN 55 1HG GLN 55 6.210 14.888 -29.456 418 2HG GLN 55 2HG GLN 55 4.823 15.902 -29.067 419 1HE2 GLN 55 2HE2 GLN 55 7.188 15.511 -31.802 420 2HE2 GLN 55 1HE2 GLN 55 5.960 15.579 -33.052 421 H LEU 56 H LEU 56 5.935 19.211 -27.365 422 HA LEU 56 HA LEU 56 3.248 18.553 -26.864 423 1HB LEU 56 1HB LEU 56 4.944 18.831 -25.046 424 2HB LEU 56 2HB LEU 56 4.958 20.572 -25.354 425 HG LEU 56 HG LEU 56 2.529 20.663 -24.759 426 1HD1 LEU 56 1HD1 LEU 56 2.644 17.783 -24.893 427 2HD1 LEU 56 2HD1 LEU 56 2.444 18.202 -23.204 428 3HD1 LEU 56 3HD1 LEU 56 1.289 18.785 -24.360 429 1HD2 LEU 56 1HD2 LEU 56 4.475 19.600 -22.700 430 2HD2 LEU 56 2HD2 LEU 56 4.255 21.287 -23.192 431 3HD2 LEU 56 3HD2 LEU 56 2.951 20.444 -22.333 432 H LEU 57 H LEU 57 4.746 21.643 -27.944 433 HA LEU 57 HA LEU 57 2.228 23.071 -27.766 434 1HB LEU 57 1HB LEU 57 4.485 23.810 -29.645 435 2HB LEU 57 2HB LEU 57 3.179 24.827 -29.035 436 HG LEU 57 HG LEU 57 5.674 23.905 -27.628 437 1HD1 LEU 57 1HD1 LEU 57 5.560 26.065 -28.852 438 2HD1 LEU 57 2HD1 LEU 57 4.407 26.610 -27.604 439 3HD1 LEU 57 3HD1 LEU 57 6.048 26.147 -27.150 440 1HD2 LEU 57 1HD2 LEU 57 3.183 24.923 -26.171 441 2HD2 LEU 57 2HD2 LEU 57 3.953 23.341 -25.927 442 3HD2 LEU 57 3HD2 LEU 57 4.803 24.809 -25.467 443 H GLN 58 H GLN 58 3.578 21.021 -30.306 444 HA GLN 58 HA GLN 58 1.472 21.612 -32.192 445 1HB GLN 58 1HB GLN 58 3.204 19.113 -31.865 446 2HB GLN 58 2HB GLN 58 2.073 19.397 -33.196 447 1HG GLN 58 1HG GLN 58 4.589 20.978 -32.572 448 2HG GLN 58 2HG GLN 58 4.280 19.946 -33.968 449 1HE2 GLN 58 2HE2 GLN 58 2.215 20.638 -35.282 450 2HE2 GLN 58 1HE2 GLN 58 2.041 22.366 -35.529 451 H VAL 59 H VAL 59 1.897 19.166 -29.644 452 HA VAL 59 HA VAL 59 -0.535 17.860 -30.077 453 HB VAL 59 HB VAL 59 1.520 17.240 -28.546 454 1HG1 VAL 59 1HG1 VAL 59 -0.657 17.926 -26.461 455 2HG1 VAL 59 2HG1 VAL 59 0.743 16.899 -26.168 456 3HG1 VAL 59 3HG1 VAL 59 0.964 18.590 -26.497 457 1HG2 VAL 59 1HG2 VAL 59 -1.195 16.186 -28.414 458 2HG2 VAL 59 2HG2 VAL 59 0.170 15.774 -29.518 459 3HG2 VAL 59 3HG2 VAL 59 0.316 15.448 -27.782 460 H LEU 60 H LEU 60 0.172 20.758 -28.188 461 HA LEU 60 HA LEU 60 -2.519 21.010 -27.045 462 1HB LEU 60 1HB LEU 60 -0.014 22.693 -27.283 463 2HB LEU 60 2HB LEU 60 -1.509 23.493 -26.856 464 HG LEU 60 HG LEU 60 0.131 22.789 -25.057 465 1HD1 LEU 60 1HD1 LEU 60 -2.185 23.704 -24.602 466 2HD1 LEU 60 2HD1 LEU 60 -2.869 22.084 -24.833 467 3HD1 LEU 60 3HD1 LEU 60 -1.823 22.414 -23.443 468 1HD2 LEU 60 1HD2 LEU 60 0.374 20.446 -25.571 469 2HD2 LEU 60 2HD2 LEU 60 -0.273 20.648 -23.946 470 3HD2 LEU 60 3HD2 LEU 60 -1.342 20.123 -25.262 471 H GLN 61 H GLN 61 -0.980 21.960 -30.117 472 HA GLN 61 HA GLN 61 -3.095 23.920 -30.687 473 1HB GLN 61 1HB GLN 61 -0.891 24.423 -31.471 474 2HB GLN 61 2HB GLN 61 -0.710 22.849 -32.254 475 1HG GLN 61 1HG GLN 61 -2.273 23.444 -34.005 476 2HG GLN 61 2HG GLN 61 -2.693 24.959 -33.179 477 1HE2 GLN 61 2HE2 GLN 61 -2.075 25.598 -35.531 478 2HE2 GLN 61 1HE2 GLN 61 -0.398 26.055 -35.762 479 H GLN 62 H GLN 62 -2.804 20.550 -30.759 480 HA GLN 62 HA GLN 62 -4.511 20.093 -33.097 481 1HB GLN 62 1HB GLN 62 -2.367 18.838 -32.387 482 2HB GLN 62 2HB GLN 62 -3.405 18.038 -31.179 483 1HG GLN 62 1HG GLN 62 -4.913 17.423 -33.115 484 2HG GLN 62 2HG GLN 62 -3.652 18.073 -34.195 485 1HE2 GLN 62 2HE2 GLN 62 -1.286 17.168 -33.242 486 2HE2 GLN 62 1HE2 GLN 62 -1.263 15.421 -33.129 487 H THR 63 H THR 63 -4.679 19.929 -29.518 488 HA THR 63 HA THR 63 -7.214 18.500 -29.580 489 HB THR 63 HB THR 63 -5.891 17.928 -27.821 490 HG1 THR 63 HG1 THR 63 -8.148 18.362 -27.378 491 1HG2 THR 63 1HG2 THR 63 -5.382 20.846 -27.392 492 2HG2 THR 63 2HG2 THR 63 -5.321 19.730 -26.013 493 3HG2 THR 63 3HG2 THR 63 -4.283 19.478 -27.421 494 H LEU 64 H LEU 64 -6.200 21.830 -29.014 495 HA LEU 64 HA LEU 64 -8.653 22.887 -30.020 496 1HB LEU 64 1HB LEU 64 -9.639 23.912 -28.095 497 2HB LEU 64 2HB LEU 64 -9.488 22.209 -27.796 498 HG LEU 64 HG LEU 64 -9.124 23.341 -25.808 499 1HD1 LEU 64 1HD1 LEU 64 -7.584 21.417 -26.265 500 2HD1 LEU 64 2HD1 LEU 64 -6.323 22.629 -26.660 501 3HD1 LEU 64 3HD1 LEU 64 -7.020 22.569 -25.035 502 1HD2 LEU 64 1HD2 LEU 64 -8.440 25.570 -26.766 503 2HD2 LEU 64 2HD2 LEU 64 -7.588 25.038 -25.299 504 3HD2 LEU 64 3HD2 LEU 64 -6.775 24.941 -26.855 505 HA PRO 65 HA PRO 65 -5.742 26.097 -30.790 506 1HB PRO 65 1HB PRO 65 -7.225 28.385 -31.025 507 2HB PRO 65 2HB PRO 65 -7.232 27.056 -32.216 508 1HG PRO 65 1HG PRO 65 -9.226 27.550 -29.998 509 2HG PRO 65 2HG PRO 65 -9.558 27.173 -31.712 510 1HD PRO 65 1HD PRO 65 -9.601 25.270 -29.768 511 2HD PRO 65 2HD PRO 65 -8.987 24.884 -31.400 512 HA PRO 66 HA PRO 66 -5.303 27.464 -26.396 513 1HB PRO 66 1HB PRO 66 -2.709 27.386 -26.140 514 2HB PRO 66 2HB PRO 66 -3.636 25.915 -26.478 515 1HG PRO 66 1HG PRO 66 -2.095 27.528 -28.546 516 2HG PRO 66 2HG PRO 66 -2.066 25.773 -28.251 517 1HD PRO 66 1HD PRO 66 -3.685 27.092 -30.109 518 2HD PRO 66 2HD PRO 66 -4.038 25.501 -29.387 519 HA PRO 67 HA PRO 67 -4.626 31.838 -27.656 520 1HB PRO 67 1HB PRO 67 -6.370 33.067 -25.982 521 2HB PRO 67 2HB PRO 67 -6.998 32.067 -27.339 522 1HG PRO 67 1HG PRO 67 -6.622 31.231 -24.444 523 2HG PRO 67 2HG PRO 67 -8.095 31.066 -25.439 524 1HD PRO 67 1HD PRO 67 -6.282 29.033 -25.154 525 2HD PRO 67 2HD PRO 67 -7.195 29.312 -26.664 526 H VAL 68 H VAL 68 -4.207 30.123 -24.785 527 HA VAL 68 HA VAL 68 -2.911 32.235 -23.210 528 HB VAL 68 HB VAL 68 -3.208 29.205 -22.814 529 1HG1 VAL 68 1HG1 VAL 68 -1.668 31.241 -21.190 530 2HG1 VAL 68 2HG1 VAL 68 -2.184 29.646 -20.590 531 3HG1 VAL 68 3HG1 VAL 68 -1.056 29.743 -21.937 532 1HG2 VAL 68 1HG2 VAL 68 -5.217 30.689 -22.463 533 2HG2 VAL 68 2HG2 VAL 68 -4.644 29.934 -20.978 534 3HG2 VAL 68 3HG2 VAL 68 -4.267 31.638 -21.300 535 H PHE 69 H PHE 69 -1.986 29.369 -25.033 536 HA PHE 69 HA PHE 69 0.765 29.219 -24.853 537 1HB PHE 69 1HB PHE 69 -0.132 27.607 -26.216 538 2HB PHE 69 2HB PHE 69 -1.240 28.754 -26.950 539 HD1 PHE 69 HD1 PHE 69 2.246 27.507 -27.187 540 HD2 PHE 69 HD2 PHE 69 -0.904 29.852 -28.953 541 HE1 PHE 69 HE1 PHE 69 3.520 27.646 -29.350 542 HE2 PHE 69 HE2 PHE 69 0.367 29.984 -31.080 543 HZ PHE 69 HZ PHE 69 2.582 28.874 -31.269 544 H GLN 70 H GLN 70 -0.931 31.422 -27.055 545 HA GLN 70 HA GLN 70 1.442 32.637 -28.098 546 1HB GLN 70 1HB GLN 70 -0.012 34.480 -28.885 547 2HB GLN 70 2HB GLN 70 -0.569 32.861 -29.343 548 1HG GLN 70 1HG GLN 70 -2.215 32.862 -27.571 549 2HG GLN 70 2HG GLN 70 -1.677 34.461 -26.989 550 1HE2 GLN 70 2HE2 GLN 70 -4.221 34.320 -27.339 551 2HE2 GLN 70 1HE2 GLN 70 -4.752 35.061 -28.845 552 H MET 71 H MET 71 -0.397 33.345 -25.172 553 HA MET 71 HA MET 71 1.072 35.790 -24.586 554 1HB MET 71 1HB MET 71 -0.728 34.179 -22.719 555 2HB MET 71 2HB MET 71 -0.183 35.849 -22.544 556 1HG MET 71 1HG MET 71 -1.442 36.263 -24.813 557 2HG MET 71 2HG MET 71 -2.251 34.737 -24.458 558 1HE MET 71 1HE MET 71 -3.875 34.350 -22.423 559 2HE MET 71 2HE MET 71 -2.578 34.846 -21.299 560 3HE MET 71 3HE MET 71 -4.191 35.585 -21.184 561 H LEU 72 H LEU 72 1.334 32.301 -23.884 562 HA LEU 72 HA LEU 72 3.333 32.589 -21.861 563 1HB LEU 72 1HB LEU 72 2.654 30.377 -21.838 564 2HB LEU 72 2HB LEU 72 2.167 30.427 -23.505 565 HG LEU 72 HG LEU 72 4.593 30.137 -24.162 566 1HD1 LEU 72 1HD1 LEU 72 5.621 30.811 -21.923 567 2HD1 LEU 72 2HD1 LEU 72 4.868 29.374 -21.210 568 3HD1 LEU 72 3HD1 LEU 72 6.112 29.199 -22.460 569 1HD2 LEU 72 1HD2 LEU 72 3.218 28.018 -22.493 570 2HD2 LEU 72 2HD2 LEU 72 2.989 28.314 -24.231 571 3HD2 LEU 72 3HD2 LEU 72 4.547 27.716 -23.636 572 H LEU 73 H LEU 73 3.350 32.391 -25.356 573 HA LEU 73 HA LEU 73 6.217 32.535 -25.549 574 1HB LEU 73 1HB LEU 73 4.212 33.485 -27.643 575 2HB LEU 73 2HB LEU 73 5.913 33.112 -27.918 576 HG LEU 73 HG LEU 73 3.686 31.101 -27.381 577 1HD1 LEU 73 1HD1 LEU 73 5.406 31.769 -29.761 578 2HD1 LEU 73 2HD1 LEU 73 4.194 30.465 -29.661 579 3HD1 LEU 73 3HD1 LEU 73 3.683 32.162 -29.534 580 1HD2 LEU 73 1HD2 LEU 73 6.639 30.543 -27.802 581 2HD2 LEU 73 2HD2 LEU 73 5.741 30.275 -26.290 582 3HD2 LEU 73 3HD2 LEU 73 5.321 29.352 -27.735 583 H THR 74 H THR 74 3.856 34.972 -25.156 584 HA THR 74 HA THR 74 5.762 37.096 -25.822 585 HB THR 74 HB THR 74 3.206 37.077 -26.376 586 HG1 THR 74 HG1 THR 74 4.794 39.295 -25.640 587 1HG2 THR 74 1HG2 THR 74 2.629 37.184 -23.878 588 2HG2 THR 74 2HG2 THR 74 3.358 38.799 -23.875 589 3HG2 THR 74 3HG2 THR 74 1.944 38.460 -24.909 590 H LYS 75 H LYS 75 4.601 35.364 -22.985 591 HA LYS 75 HA LYS 75 5.384 37.418 -21.085 592 1HB LYS 75 1HB LYS 75 4.587 34.514 -21.124 593 2HB LYS 75 2HB LYS 75 5.316 35.147 -19.652 594 1HG LYS 75 1HG LYS 75 3.014 36.646 -20.946 595 2HG LYS 75 2HG LYS 75 2.655 35.205 -20.025 596 1HD LYS 75 1HD LYS 75 4.218 37.517 -18.851 597 2HD LYS 75 2HD LYS 75 2.452 37.333 -18.760 598 1HE LYS 75 1HE LYS 75 2.729 35.146 -17.604 599 2HE LYS 75 2HE LYS 75 4.484 35.390 -17.579 600 1HZ LYS 75 1HZ LYS 75 4.106 37.382 -16.287 601 2HZ LYS 75 2HZ LYS 75 2.479 37.126 -16.295 602 3HZ LYS 75 3HZ LYS 75 3.469 36.060 -15.543 603 H LEU 76 H LEU 76 7.020 34.755 -22.729 604 HA LEU 76 HA LEU 76 9.325 34.584 -21.101 605 1HB LEU 76 1HB LEU 76 8.792 34.054 -24.031 606 2HB LEU 76 2HB LEU 76 10.386 33.763 -23.320 607 HG LEU 76 HG LEU 76 7.788 32.409 -22.372 608 1HD1 LEU 76 1HD1 LEU 76 8.186 31.985 -24.747 609 2HD1 LEU 76 2HD1 LEU 76 9.829 31.439 -24.383 610 3HD1 LEU 76 3HD1 LEU 76 8.421 30.543 -23.755 611 1HD2 LEU 76 1HD2 LEU 76 10.742 31.708 -22.011 612 2HD2 LEU 76 2HD2 LEU 76 9.666 32.321 -20.734 613 3HD2 LEU 76 3HD2 LEU 76 9.362 30.739 -21.464 614 HA PRO 77 HA PRO 77 11.648 37.979 -23.344 615 1HB PRO 77 1HB PRO 77 10.670 39.393 -25.385 616 2HB PRO 77 2HB PRO 77 11.388 37.757 -25.573 617 1HG PRO 77 1HG PRO 77 8.417 38.457 -25.348 618 2HG PRO 77 2HG PRO 77 9.192 37.442 -26.598 619 1HD PRO 77 1HD PRO 77 8.055 36.348 -24.349 620 2HD PRO 77 2HD PRO 77 9.565 35.696 -25.074 621 H THR 78 H THR 78 11.177 38.810 -21.405 622 HA THR 78 HA THR 78 9.179 41.032 -21.121 623 HB THR 78 HB THR 78 10.565 39.263 -19.055 624 HG1 THR 78 HG1 THR 78 8.680 38.422 -19.985 625 1HG2 THR 78 1HG2 THR 78 8.855 41.740 -18.653 626 2HG2 THR 78 2HG2 THR 78 9.274 40.558 -17.393 627 3HG2 THR 78 3HG2 THR 78 10.552 41.529 -18.144 628 H ILE 79 H ILE 79 12.580 40.158 -20.408 629 HA ILE 79 HA ILE 79 13.376 42.831 -19.747 630 HB ILE 79 HB ILE 79 15.085 40.459 -20.665 631 1HG1 ILE 79 1HG1 ILE 79 15.699 40.356 -18.199 632 2HG1 ILE 79 2HG1 ILE 79 14.305 41.388 -17.859 633 1HG2 ILE 79 1HG2 ILE 79 15.856 43.059 -19.282 634 2HG2 ILE 79 2HG2 ILE 79 16.943 41.680 -19.537 635 3HG2 ILE 79 3HG2 ILE 79 16.318 42.556 -20.925 636 1HD1 ILE 79 1HD1 ILE 79 14.075 38.739 -19.360 637 2HD1 ILE 79 2HD1 ILE 79 14.088 38.831 -17.588 638 3HD1 ILE 79 3HD1 ILE 79 12.798 39.627 -18.482 639 H SER 80 H SER 80 13.346 40.930 -22.677 640 HA SER 80 HA SER 80 14.894 42.482 -24.374 641 1HB SER 80 1HB SER 80 13.861 40.285 -24.967 642 2HB SER 80 2HB SER 80 12.279 41.087 -25.110 643 HG SER 80 HG SER 80 13.362 40.881 -27.124 644 H GLN 81 H GLN 81 11.404 42.993 -23.631 645 HA GLN 81 HA GLN 81 11.116 45.240 -25.346 646 1HB GLN 81 1HB GLN 81 9.236 43.863 -24.417 647 2HB GLN 81 2HB GLN 81 9.600 44.479 -22.802 648 1HG GLN 81 1HG GLN 81 7.671 45.622 -23.772 649 2HG GLN 81 2HG GLN 81 8.992 46.758 -23.490 650 1HE2 GLN 81 2HE2 GLN 81 8.144 48.257 -25.044 651 2HE2 GLN 81 1HE2 GLN 81 8.222 47.926 -26.766 652 H ARG 82 H ARG 82 12.523 44.945 -22.172 653 HA ARG 82 HA ARG 82 12.362 47.739 -21.489 654 1HB ARG 82 1HB ARG 82 12.865 45.751 -19.921 655 2HB ARG 82 2HB ARG 82 14.546 45.889 -20.488 656 1HG ARG 82 1HG ARG 82 14.600 48.240 -19.714 657 2HG ARG 82 2HG ARG 82 12.915 48.095 -19.175 658 1HD ARG 82 1HD ARG 82 13.630 46.207 -17.643 659 2HD ARG 82 2HD ARG 82 15.288 46.447 -18.189 660 HE ARG 82 HE ARG 82 15.520 48.279 -16.855 661 1HH1 ARG 82 1HH1 ARG 82 12.064 47.534 -17.085 662 2HH1 ARG 82 2HH1 ARG 82 11.600 48.631 -15.815 663 1HH2 ARG 82 1HH2 ARG 82 14.913 49.742 -15.200 664 2HH2 ARG 82 2HH2 ARG 82 13.242 49.914 -14.744 665 H ILE 83 H ILE 83 14.366 45.907 -23.713 666 HA ILE 83 HA ILE 83 16.416 48.013 -23.918 667 HB ILE 83 HB ILE 83 16.018 45.513 -25.666 668 1HG1 ILE 83 1HG1 ILE 83 16.164 44.407 -23.887 669 2HG1 ILE 83 2HG1 ILE 83 17.846 44.517 -24.439 670 1HG2 ILE 83 1HG2 ILE 83 17.715 47.376 -26.449 671 2HG2 ILE 83 2HG2 ILE 83 18.626 46.965 -24.995 672 3HG2 ILE 83 3HG2 ILE 83 18.349 45.751 -26.253 673 1HD1 ILE 83 1HD1 ILE 83 18.243 46.225 -22.653 674 2HD1 ILE 83 2HD1 ILE 83 16.585 45.923 -22.054 675 3HD1 ILE 83 3HD1 ILE 83 17.767 44.614 -22.051 676 H VAL 84 H VAL 84 15.892 47.068 -26.939 677 HA VAL 84 HA VAL 84 15.044 47.772 -28.878 678 HB VAL 84 HB VAL 84 12.867 47.473 -27.209 679 1HG1 VAL 84 1HG1 VAL 84 12.636 49.943 -26.754 680 2HG1 VAL 84 2HG1 VAL 84 12.466 50.223 -28.496 681 3HG1 VAL 84 3HG1 VAL 84 11.252 49.285 -27.615 682 1HG2 VAL 84 1HG2 VAL 84 12.888 46.654 -29.535 683 2HG2 VAL 84 2HG2 VAL 84 11.383 47.489 -29.160 684 3HG2 VAL 84 3HG2 VAL 84 12.607 48.307 -30.133 685 H SER 85 H SER 85 14.919 50.162 -26.421 686 HA SER 85 HA SER 85 15.564 52.352 -28.256 687 1HB SER 85 1HB SER 85 15.284 52.316 -25.224 688 2HB SER 85 2HB SER 85 15.412 53.763 -26.247 689 HG SER 85 HG SER 85 13.468 53.020 -27.298 690 H ALA 86 H ALA 86 17.375 50.341 -28.373 691 HA ALA 86 HA ALA 86 19.900 51.539 -27.845 692 1HB ALA 86 1HB ALA 86 19.090 49.185 -26.068 693 2HB ALA 86 2HB ALA 86 20.755 49.757 -26.274 694 3HB ALA 86 3HB ALA 86 19.544 50.803 -25.516 695 H GLN 87 H GLN 87 18.018 48.588 -28.412 696 HA GLN 87 HA GLN 87 19.923 47.069 -29.726 697 1HB GLN 87 1HB GLN 87 17.611 46.312 -28.955 698 2HB GLN 87 2HB GLN 87 16.954 47.048 -30.430 699 1HG GLN 87 1HG GLN 87 18.276 45.493 -31.807 700 2HG GLN 87 2HG GLN 87 19.096 44.879 -30.361 701 1HE2 GLN 87 2HE2 GLN 87 15.730 45.366 -31.622 702 2HE2 GLN 87 1HE2 GLN 87 15.128 43.841 -31.000 703 H SER 88 H SER 88 18.292 49.726 -30.896 704 HA SER 88 HA SER 88 19.833 49.680 -33.426 705 1HB SER 88 1HB SER 88 17.451 48.866 -33.832 706 2HB SER 88 2HB SER 88 16.896 50.490 -33.368 707 HG SER 88 HG SER 88 17.205 50.334 -35.618 708 H LEU 89 H LEU 89 20.325 50.883 -30.939 709 HA LEU 89 HA LEU 89 20.574 52.751 -29.752 710 1HB LEU 89 1HB LEU 89 22.235 54.241 -30.811 711 2HB LEU 89 2HB LEU 89 22.559 52.514 -30.859 712 HG LEU 89 HG LEU 89 21.805 52.428 -33.244 713 1HD1 LEU 89 1HD1 LEU 89 21.836 55.479 -32.995 714 2HD1 LEU 89 2HD1 LEU 89 21.793 54.576 -34.523 715 3HD1 LEU 89 3HD1 LEU 89 20.427 54.482 -33.415 716 1HD2 LEU 89 1HD2 LEU 89 24.168 52.551 -32.585 717 2HD2 LEU 89 2HD2 LEU 89 23.888 53.440 -34.093 718 3HD2 LEU 89 3HD2 LEU 89 24.084 54.327 -32.564 719 H GLY 90 H GLY 90 18.003 52.777 -30.724 720 1HA GLY 90 1HA GLY 90 16.160 54.170 -30.956 721 2HA GLY 90 2HA GLY 90 17.087 55.326 -29.983 722 H GLU 91 H GLU 91 17.652 54.019 -33.263 723 HA GLU 91 HA GLU 91 18.611 56.364 -34.382 724 1HB GLU 91 1HB GLU 91 18.869 54.094 -35.377 725 2HB GLU 91 2HB GLU 91 17.174 54.130 -35.887 726 1HG GLU 91 1HG GLU 91 17.657 56.045 -37.367 727 2HG GLU 91 2HG GLU 91 19.329 56.092 -36.775 728 H ASP 92 H ASP 92 17.665 58.046 -35.763 729 HA ASP 92 HA ASP 92 14.793 58.132 -36.198 730 1HB ASP 92 1HB ASP 92 15.011 59.184 -33.977 731 2HB ASP 92 2HB ASP 92 16.342 60.199 -34.562 732 H ASP 93 H ASP 93 14.357 59.947 -37.780 733 HA ASP 93 HA ASP 93 16.580 60.161 -39.708 734 1HB ASP 93 1HB ASP 93 14.330 59.559 -40.490 735 2HB ASP 93 2HB ASP 93 13.694 61.105 -39.906 736 H VAL 94 H VAL 94 17.648 61.389 -37.792 737 HA VAL 94 HA VAL 94 16.873 64.189 -37.516 738 HB VAL 94 HB VAL 94 17.707 62.883 -35.622 739 1HG1 VAL 94 1HG1 VAL 94 19.426 61.479 -36.754 740 2HG1 VAL 94 2HG1 VAL 94 20.437 62.921 -36.990 741 3HG1 VAL 94 3HG1 VAL 94 20.073 62.345 -35.356 742 1HG2 VAL 94 1HG2 VAL 94 17.910 65.362 -35.680 743 2HG2 VAL 94 2HG2 VAL 94 19.164 64.584 -34.696 744 3HG2 VAL 94 3HG2 VAL 94 19.564 65.200 -36.312 745 H GLU 95 H GLU 95 17.902 65.972 -38.408 746 HA GLU 95 HA GLU 95 20.323 65.725 -40.003 747 1HB GLU 95 1HB GLU 95 18.292 65.061 -41.459 748 2HB GLU 95 2HB GLU 95 17.765 66.743 -41.324 749 1HG GLU 95 1HG GLU 95 20.483 65.825 -42.398 750 2HG GLU 95 2HG GLU 95 19.062 66.118 -43.409 751 1H GLY 1 1H GLY 1 -17.052 15.571 -22.887 752 2H GLY 1 2H GLY 1 -18.286 15.724 -22.860 753 3H GLY 1 3H GLY 1 -18.392 15.828 -24.143 754 1HA GLY 1 1HA GLY 1 -16.783 15.321 -25.462 755 2HA GLY 1 2HA GLY 1 -16.972 16.924 -24.716 756 HA PRO 2 HA PRO 2 -12.686 15.113 -23.735 757 1HB PRO 2 1HB PRO 2 -11.071 16.468 -25.474 758 2HB PRO 2 2HB PRO 2 -11.971 15.002 -25.958 759 1HG PRO 2 1HG PRO 2 -12.823 17.886 -26.362 760 2HG PRO 2 2HG PRO 2 -12.712 16.602 -27.603 761 1HD PRO 2 1HD PRO 2 -15.063 17.184 -26.359 762 2HD PRO 2 2HD PRO 2 -14.627 15.490 -26.732 763 H ARG 3 H ARG 3 -10.704 16.581 -23.099 764 HA ARG 3 HA ARG 3 -11.595 19.250 -22.209 765 1HB ARG 3 1HB ARG 3 -12.071 17.620 -20.407 766 2HB ARG 3 2HB ARG 3 -10.378 17.140 -20.376 767 1HG ARG 3 1HG ARG 3 -10.936 18.645 -18.548 768 2HG ARG 3 2HG ARG 3 -9.734 19.393 -19.598 769 1HD ARG 3 1HD ARG 3 -12.717 19.933 -19.919 770 2HD ARG 3 2HD ARG 3 -11.743 20.814 -18.732 771 HE ARG 3 HE ARG 3 -10.179 21.340 -20.669 772 1HH1 ARG 3 1HH1 ARG 3 -13.727 21.382 -20.936 773 2HH1 ARG 3 2HH1 ARG 3 -13.720 22.408 -22.345 774 1HH2 ARG 3 1HH2 ARG 3 -10.189 22.642 -22.475 775 2HH2 ARG 3 2HH2 ARG 3 -11.679 23.183 -23.217 776 H LEU 4 H LEU 4 -8.692 17.222 -21.636 777 HA LEU 4 HA LEU 4 -7.072 18.794 -23.490 778 1HB LEU 4 1HB LEU 4 -7.175 20.078 -21.247 779 2HB LEU 4 2HB LEU 4 -6.274 18.752 -20.547 780 HG LEU 4 HG LEU 4 -4.701 20.396 -20.994 781 1HD1 LEU 4 1HD1 LEU 4 -3.944 18.178 -21.955 782 2HD1 LEU 4 2HD1 LEU 4 -4.456 18.776 -23.552 783 3HD1 LEU 4 3HD1 LEU 4 -3.174 19.606 -22.676 784 1HD2 LEU 4 1HD2 LEU 4 -6.066 21.884 -22.383 785 2HD2 LEU 4 2HD2 LEU 4 -4.443 21.676 -23.037 786 3HD2 LEU 4 3HD2 LEU 4 -5.809 20.825 -23.786 787 H SER 5 H SER 5 -6.882 16.637 -20.603 788 HA SER 5 HA SER 5 -4.709 15.110 -21.455 789 1HB SER 5 1HB SER 5 -5.653 13.474 -19.685 790 2HB SER 5 2HB SER 5 -5.096 15.090 -19.227 791 HG SER 5 HG SER 5 -7.063 14.811 -18.279 792 H ARG 6 H ARG 6 -7.704 15.081 -22.986 793 HA ARG 6 HA ARG 6 -8.047 12.368 -23.639 794 1HB ARG 6 1HB ARG 6 -9.729 13.963 -24.293 795 2HB ARG 6 2HB ARG 6 -8.557 14.940 -25.188 796 1HG ARG 6 1HG ARG 6 -9.984 13.684 -26.718 797 2HG ARG 6 2HG ARG 6 -8.304 13.202 -26.888 798 1HD ARG 6 1HD ARG 6 -8.872 11.180 -25.350 799 2HD ARG 6 2HD ARG 6 -10.547 11.705 -25.470 800 HE ARG 6 HE ARG 6 -10.671 10.891 -27.609 801 1HH1 ARG 6 1HH1 ARG 6 -7.220 10.992 -26.681 802 2HH1 ARG 6 2HH1 ARG 6 -6.713 10.031 -28.037 803 1HH2 ARG 6 1HH2 ARG 6 -9.964 9.637 -29.385 804 2HH2 ARG 6 2HH2 ARG 6 -8.277 9.262 -29.585 805 H LEU 7 H LEU 7 -5.847 14.906 -25.003 806 HA LEU 7 HA LEU 7 -4.754 13.155 -27.030 807 1HB LEU 7 1HB LEU 7 -2.957 14.672 -27.300 808 2HB LEU 7 2HB LEU 7 -4.485 15.548 -27.267 809 HG LEU 7 HG LEU 7 -3.798 15.736 -24.665 810 1HD1 LEU 7 1HD1 LEU 7 -1.553 14.587 -25.097 811 2HD1 LEU 7 2HD1 LEU 7 -1.202 15.789 -26.268 812 3HD1 LEU 7 3HD1 LEU 7 -1.277 16.271 -24.594 813 1HD2 LEU 7 1HD2 LEU 7 -2.889 17.641 -26.790 814 2HD2 LEU 7 2HD2 LEU 7 -4.375 17.680 -25.800 815 3HD2 LEU 7 3HD2 LEU 7 -2.799 17.963 -25.050 816 H LEU 8 H LEU 8 -3.644 13.961 -23.688 817 HA LEU 8 HA LEU 8 -1.309 12.430 -23.828 818 1HB LEU 8 1HB LEU 8 -2.892 13.184 -21.438 819 2HB LEU 8 2HB LEU 8 -1.314 12.387 -21.378 820 HG LEU 8 HG LEU 8 -0.809 14.584 -20.932 821 1HD1 LEU 8 1HD1 LEU 8 -0.015 14.259 -23.822 822 2HD1 LEU 8 2HD1 LEU 8 0.530 15.523 -22.743 823 3HD1 LEU 8 3HD1 LEU 8 0.862 13.827 -22.373 824 1HD2 LEU 8 1HD2 LEU 8 -2.814 15.417 -22.951 825 2HD2 LEU 8 2HD2 LEU 8 -2.673 15.834 -21.277 826 3HD2 LEU 8 3HD2 LEU 8 -1.569 16.526 -22.466 827 H SER 9 H SER 9 -4.515 11.198 -23.686 828 HA SER 9 HA SER 9 -3.957 8.678 -22.441 829 1HB SER 9 1HB SER 9 -6.228 9.641 -22.868 830 2HB SER 9 2HB SER 9 -5.994 9.359 -24.607 831 HG SER 9 HG SER 9 -5.828 7.324 -22.641 832 H TYR 10 H TYR 10 -2.937 10.053 -25.434 833 HA TYR 10 HA TYR 10 -2.643 7.753 -27.081 834 1HB TYR 10 1HB TYR 10 -1.478 9.237 -28.520 835 2HB TYR 10 2HB TYR 10 -2.831 10.119 -27.846 836 HD1 TYR 10 HD1 TYR 10 -0.640 10.411 -25.120 837 HD2 TYR 10 HD2 TYR 10 -0.904 11.662 -29.259 838 HE1 TYR 10 HE1 TYR 10 0.858 12.191 -24.644 839 HE2 TYR 10 HE2 TYR 10 0.630 13.480 -28.754 840 HH TYR 10 HH TYR 10 2.037 13.995 -25.480 841 H ALA 11 H ALA 11 -0.973 8.410 -24.209 842 HA ALA 11 HA ALA 11 1.297 6.713 -24.954 843 1HB ALA 11 1HB ALA 11 1.985 9.023 -25.647 844 2HB ALA 11 2HB ALA 11 1.590 9.617 -24.026 845 3HB ALA 11 3HB ALA 11 2.925 8.469 -24.249 Start of MODEL 8 1 1H ARG 1 1H ARG 1 1.614 16.272 5.713 2 2H ARG 1 2H ARG 1 1.800 14.756 5.101 3 3H ARG 1 3H ARG 1 0.601 15.064 6.192 4 HA ARG 1 HA ARG 1 2.157 15.558 7.896 5 1HB ARG 1 1HB ARG 1 2.621 12.858 6.561 6 2HB ARG 1 2HB ARG 1 3.211 13.311 8.167 7 1HG ARG 1 1HG ARG 1 0.857 13.736 8.904 8 2HG ARG 1 2HG ARG 1 0.285 13.233 7.304 9 1HD ARG 1 1HD ARG 1 0.041 11.385 8.810 10 2HD ARG 1 2HD ARG 1 1.324 10.997 7.645 11 HE ARG 1 HE ARG 1 2.477 12.189 9.973 12 1HH1 ARG 1 1HH1 ARG 1 0.864 9.188 8.999 13 2HH1 ARG 1 2HH1 ARG 1 1.656 8.208 10.200 14 1HH2 ARG 1 1HH2 ARG 1 3.528 10.900 11.558 15 2HH2 ARG 1 2HH2 ARG 1 3.185 9.198 11.676 16 H ALA 2 H ALA 2 4.141 13.862 5.386 17 HA ALA 2 HA ALA 2 6.091 16.066 5.365 18 1HB ALA 2 1HB ALA 2 6.786 13.273 6.374 19 2HB ALA 2 2HB ALA 2 7.945 14.573 6.022 20 3HB ALA 2 3HB ALA 2 6.775 14.763 7.339 21 H GLY 3 H GLY 3 4.772 15.834 3.222 22 1HA GLY 3 1HA GLY 3 6.475 15.011 1.187 23 2HA GLY 3 2HA GLY 3 5.339 13.665 1.447 24 H LEU 4 H LEU 4 5.335 15.033 -0.970 25 HA LEU 4 HA LEU 4 2.609 15.983 -1.120 26 1HB LEU 4 1HB LEU 4 4.584 17.943 -0.704 27 2HB LEU 4 2HB LEU 4 4.429 17.903 -2.452 28 HG LEU 4 HG LEU 4 3.040 19.590 -1.571 29 1HD1 LEU 4 1HD1 LEU 4 2.082 18.268 -3.464 30 2HD1 LEU 4 2HD1 LEU 4 1.096 17.369 -2.282 31 3HD1 LEU 4 3HD1 LEU 4 0.881 19.114 -2.473 32 1HD2 LEU 4 1HD2 LEU 4 2.798 18.778 0.744 33 2HD2 LEU 4 2HD2 LEU 4 1.265 19.323 0.047 34 3HD2 LEU 4 3HD2 LEU 4 1.592 17.589 0.200 35 H SER 5 H SER 5 1.852 15.760 -3.319 36 HA SER 5 HA SER 5 3.238 13.832 -4.823 37 1HB SER 5 1HB SER 5 0.707 15.390 -5.440 38 2HB SER 5 2HB SER 5 1.275 13.965 -6.325 39 HG SER 5 HG SER 5 0.649 14.043 -3.557 40 H LYS 6 H LYS 6 4.229 16.926 -4.735 41 HA LYS 6 HA LYS 6 4.376 17.434 -7.633 42 1HB LYS 6 1HB LYS 6 5.182 19.058 -5.233 43 2HB LYS 6 2HB LYS 6 5.463 19.538 -6.912 44 1HG LYS 6 1HG LYS 6 2.762 18.954 -5.654 45 2HG LYS 6 2HG LYS 6 3.461 20.552 -5.970 46 1HD LYS 6 1HD LYS 6 3.638 19.602 -8.475 47 2HD LYS 6 2HD LYS 6 2.374 18.500 -7.918 48 1HE LYS 6 1HE LYS 6 0.973 20.633 -7.405 49 2HE LYS 6 2HE LYS 6 2.230 21.532 -8.281 50 1HZ LYS 6 1HZ LYS 6 1.815 20.015 -10.143 51 2HZ LYS 6 2HZ LYS 6 0.540 19.380 -9.299 52 3HZ LYS 6 3HZ LYS 6 0.563 20.974 -9.777 53 H LEU 7 H LEU 7 6.001 15.968 -8.540 54 HA LEU 7 HA LEU 7 7.979 14.965 -8.843 55 1HB LEU 7 1HB LEU 7 8.991 17.638 -7.788 56 2HB LEU 7 2HB LEU 7 9.926 16.524 -8.766 57 HG LEU 7 HG LEU 7 7.378 17.941 -9.661 58 1HD1 LEU 7 1HD1 LEU 7 9.230 19.504 -9.298 59 2HD1 LEU 7 2HD1 LEU 7 10.286 18.518 -10.336 60 3HD1 LEU 7 3HD1 LEU 7 8.866 19.337 -11.025 61 1HD2 LEU 7 1HD2 LEU 7 9.381 16.338 -11.328 62 2HD2 LEU 7 2HD2 LEU 7 7.723 15.823 -10.936 63 3HD2 LEU 7 3HD2 LEU 7 8.004 17.246 -11.935 64 HA PRO 8 HA PRO 8 8.670 13.949 -4.348 65 1HB PRO 8 1HB PRO 8 7.597 11.424 -4.291 66 2HB PRO 8 2HB PRO 8 6.650 12.915 -4.027 67 1HG PRO 8 1HG PRO 8 6.875 11.305 -6.577 68 2HG PRO 8 2HG PRO 8 5.413 11.982 -5.815 69 1HD PRO 8 1HD PRO 8 6.699 13.264 -7.867 70 2HD PRO 8 2HD PRO 8 5.901 14.144 -6.534 71 H ASP 9 H ASP 9 8.789 11.548 -7.025 72 HA ASP 9 HA ASP 9 11.383 10.510 -6.045 73 1HB ASP 9 1HB ASP 9 9.619 8.890 -6.454 74 2HB ASP 9 2HB ASP 9 9.428 9.463 -8.122 75 H LEU 10 H LEU 10 9.956 11.625 -9.122 76 HA LEU 10 HA LEU 10 10.672 12.539 -10.930 77 1HB LEU 10 1HB LEU 10 12.324 13.657 -8.804 78 2HB LEU 10 2HB LEU 10 13.398 13.377 -10.159 79 HG LEU 10 HG LEU 10 10.901 15.182 -10.150 80 1HD1 LEU 10 1HD1 LEU 10 13.846 15.691 -10.002 81 2HD1 LEU 10 2HD1 LEU 10 12.544 16.916 -10.157 82 3HD1 LEU 10 3HD1 LEU 10 12.632 15.886 -8.707 83 1HD2 LEU 10 1HD2 LEU 10 13.070 14.701 -12.269 84 2HD2 LEU 10 2HD2 LEU 10 11.371 14.225 -12.432 85 3HD2 LEU 10 3HD2 LEU 10 11.795 15.941 -12.342 86 H LYS 11 H LYS 11 12.701 10.102 -9.673 87 HA LYS 11 HA LYS 11 14.233 9.822 -12.146 88 1HB LYS 11 1HB LYS 11 14.007 8.289 -9.545 89 2HB LYS 11 2HB LYS 11 14.705 7.474 -10.943 90 1HG LYS 11 1HG LYS 11 15.709 10.220 -10.179 91 2HG LYS 11 2HG LYS 11 16.248 8.803 -9.266 92 1HD LYS 11 1HD LYS 11 17.165 7.728 -11.204 93 2HD LYS 11 2HD LYS 11 16.433 8.912 -12.302 94 1HE LYS 11 1HE LYS 11 17.858 10.704 -11.302 95 2HE LYS 11 2HE LYS 11 18.618 9.490 -10.252 96 1HZ LYS 11 1HZ LYS 11 19.383 8.370 -12.235 97 2HZ LYS 11 2HZ LYS 11 18.678 9.510 -13.195 98 3HZ LYS 11 3HZ LYS 11 19.920 9.926 -12.199 99 H ASP 12 H ASP 12 11.275 8.416 -10.743 100 HA ASP 12 HA ASP 12 11.039 6.459 -12.907 101 1HB ASP 12 1HB ASP 12 9.058 7.398 -10.804 102 2HB ASP 12 2HB ASP 12 8.761 6.096 -11.970 103 H ALA 13 H ALA 13 9.745 6.541 -14.627 104 HA ALA 13 HA ALA 13 9.204 9.134 -15.773 105 1HB ALA 13 1HB ALA 13 10.043 7.265 -17.146 106 2HB ALA 13 2HB ALA 13 8.561 6.339 -16.814 107 3HB ALA 13 3HB ALA 13 8.481 7.848 -17.751 108 H GLU 14 H GLU 14 7.159 6.468 -14.719 109 HA GLU 14 HA GLU 14 4.653 7.607 -15.394 110 1HB GLU 14 1HB GLU 14 3.699 6.021 -13.759 111 2HB GLU 14 2HB GLU 14 4.837 5.281 -14.890 112 1HG GLU 14 1HG GLU 14 6.605 5.303 -13.123 113 2HG GLU 14 2HG GLU 14 5.436 5.999 -11.987 114 H ALA 15 H ALA 15 6.661 8.001 -12.515 115 HA ALA 15 HA ALA 15 4.763 9.518 -10.973 116 1HB ALA 15 1HB ALA 15 6.720 8.341 -9.966 117 2HB ALA 15 2HB ALA 15 7.813 9.473 -10.801 118 3HB ALA 15 3HB ALA 15 6.699 10.069 -9.555 119 H VAL 16 H VAL 16 6.933 10.258 -13.576 120 HA VAL 16 HA VAL 16 6.812 13.192 -13.142 121 HB VAL 16 HB VAL 16 8.578 11.388 -14.575 122 1HG1 VAL 16 1HG1 VAL 16 7.734 13.821 -16.145 123 2HG1 VAL 16 2HG1 VAL 16 9.127 12.765 -16.471 124 3HG1 VAL 16 3HG1 VAL 16 7.495 12.117 -16.635 125 1HG2 VAL 16 1HG2 VAL 16 9.275 12.717 -12.821 126 2HG2 VAL 16 2HG2 VAL 16 10.182 12.974 -14.320 127 3HG2 VAL 16 3HG2 VAL 16 8.974 14.189 -13.803 128 H GLN 17 H GLN 17 5.412 10.597 -15.126 129 HA GLN 17 HA GLN 17 4.121 12.333 -16.973 130 1HB GLN 17 1HB GLN 17 4.439 9.817 -17.296 131 2HB GLN 17 2HB GLN 17 3.071 9.602 -16.190 132 1HG GLN 17 1HG GLN 17 2.212 9.447 -18.381 133 2HG GLN 17 2HG GLN 17 1.674 11.007 -17.759 134 1HE2 GLN 17 2HE2 GLN 17 1.638 10.429 -20.525 135 2HE2 GLN 17 1HE2 GLN 17 2.831 11.459 -21.290 136 H LYS 18 H LYS 18 3.095 10.852 -13.884 137 HA LYS 18 HA LYS 18 0.471 11.931 -13.975 138 1HB LYS 18 1HB LYS 18 0.155 11.324 -11.774 139 2HB LYS 18 2HB LYS 18 1.200 10.083 -12.475 140 1HG LYS 18 1HG LYS 18 3.116 10.963 -11.348 141 2HG LYS 18 2HG LYS 18 2.225 12.343 -10.689 142 1HD LYS 18 1HD LYS 18 1.528 9.447 -10.062 143 2HD LYS 18 2HD LYS 18 2.617 10.451 -9.088 144 1HE LYS 18 1HE LYS 18 0.776 12.135 -8.793 145 2HE LYS 18 2HE LYS 18 -0.333 11.036 -9.629 146 1HZ LYS 18 1HZ LYS 18 0.084 9.419 -7.917 147 2HZ LYS 18 2HZ LYS 18 1.099 10.459 -7.136 148 3HZ LYS 18 3HZ LYS 18 -0.498 10.824 -7.284 149 H PHE 19 H PHE 19 3.474 13.339 -12.657 150 HA PHE 19 HA PHE 19 2.214 15.709 -11.620 151 1HB PHE 19 1HB PHE 19 4.326 15.246 -10.700 152 2HB PHE 19 2HB PHE 19 5.047 14.881 -12.268 153 HD1 PHE 19 HD1 PHE 19 5.595 16.639 -13.893 154 HD2 PHE 19 HD2 PHE 19 4.302 17.604 -9.906 155 HE1 PHE 19 HE1 PHE 19 6.414 18.979 -14.166 156 HE2 PHE 19 HE2 PHE 19 5.169 19.927 -10.204 157 HZ PHE 19 HZ PHE 19 6.240 20.560 -12.435 158 H PHE 20 H PHE 20 3.874 14.967 -14.659 159 HA PHE 20 HA PHE 20 3.909 17.507 -15.846 160 1HB PHE 20 1HB PHE 20 5.167 15.773 -16.795 161 2HB PHE 20 2HB PHE 20 3.767 14.715 -16.997 162 HD1 PHE 20 HD1 PHE 20 5.050 18.036 -18.144 163 HD2 PHE 20 HD2 PHE 20 2.967 14.400 -19.146 164 HE1 PHE 20 HE1 PHE 20 4.960 18.743 -20.520 165 HE2 PHE 20 HE2 PHE 20 2.882 15.108 -21.518 166 HZ PHE 20 HZ PHE 20 3.889 17.266 -22.207 167 H LEU 21 H LEU 21 1.440 14.877 -16.112 168 HA LEU 21 HA LEU 21 -0.512 16.496 -17.455 169 1HB LEU 21 1HB LEU 21 -0.307 13.768 -16.220 170 2HB LEU 21 2HB LEU 21 -1.888 14.466 -16.036 171 HG LEU 21 HG LEU 21 -0.630 14.177 -18.833 172 1HD1 LEU 21 1HD1 LEU 21 -2.352 12.275 -17.191 173 2HD1 LEU 21 2HD1 LEU 21 -1.981 12.099 -18.918 174 3HD1 LEU 21 3HD1 LEU 21 -0.682 12.006 -17.727 175 1HD2 LEU 21 1HD2 LEU 21 -3.406 14.769 -17.729 176 2HD2 LEU 21 2HD2 LEU 21 -2.393 15.788 -18.780 177 3HD2 LEU 21 3HD2 LEU 21 -3.078 14.278 -19.383 178 H GLU 22 H GLU 22 0.187 16.000 -14.003 179 HA GLU 22 HA GLU 22 -2.217 17.224 -13.119 180 1HB GLU 22 1HB GLU 22 -0.674 15.992 -11.620 181 2HB GLU 22 2HB GLU 22 0.453 17.364 -11.681 182 1HG GLU 22 1HG GLU 22 -1.225 18.833 -10.683 183 2HG GLU 22 2HG GLU 22 -2.438 17.552 -10.746 184 H GLU 23 H GLU 23 0.799 18.559 -14.418 185 HA GLU 23 HA GLU 23 0.100 21.312 -13.748 186 1HB GLU 23 1HB GLU 23 2.516 19.967 -14.509 187 2HB GLU 23 2HB GLU 23 2.213 21.337 -15.594 188 1HG GLU 23 1HG GLU 23 3.462 22.040 -13.552 189 2HG GLU 23 2HG GLU 23 1.888 22.835 -13.692 190 H ILE 24 H ILE 24 0.131 19.352 -16.670 191 HA ILE 24 HA ILE 24 -0.879 21.334 -18.477 192 HB ILE 24 HB ILE 24 -0.947 18.299 -18.364 193 1HG1 ILE 24 1HG1 ILE 24 0.298 20.247 -20.212 194 2HG1 ILE 24 2HG1 ILE 24 0.823 18.644 -19.705 195 1HG2 ILE 24 1HG2 ILE 24 -3.252 18.499 -18.839 196 2HG2 ILE 24 2HG2 ILE 24 -2.867 19.528 -20.241 197 3HG2 ILE 24 3HG2 ILE 24 -2.354 17.832 -20.143 198 1HD1 ILE 24 1HD1 ILE 24 -1.341 19.108 -21.821 199 2HD1 ILE 24 2HD1 ILE 24 0.349 18.866 -22.124 200 3HD1 ILE 24 3HD1 ILE 24 -0.558 17.575 -21.357 201 H GLN 25 H GLN 25 -2.640 19.081 -16.326 202 HA GLN 25 HA GLN 25 -5.182 20.268 -16.993 203 1HB GLN 25 1HB GLN 25 -6.252 18.677 -15.814 204 2HB GLN 25 2HB GLN 25 -4.783 17.866 -16.387 205 1HG GLN 25 1HG GLN 25 -3.765 18.489 -14.150 206 2HG GLN 25 2HG GLN 25 -5.390 18.996 -13.632 207 1HE2 GLN 25 2HE2 GLN 25 -4.407 17.168 -12.012 208 2HE2 GLN 25 1HE2 GLN 25 -5.037 15.566 -12.342 209 H LEU 26 H LEU 26 -3.043 20.687 -14.238 210 HA LEU 26 HA LEU 26 -4.801 22.260 -12.617 211 1HB LEU 26 1HB LEU 26 -2.821 21.358 -11.665 212 2HB LEU 26 2HB LEU 26 -1.784 22.221 -12.832 213 HG LEU 26 HG LEU 26 -1.388 23.120 -10.794 214 1HD1 LEU 26 1HD1 LEU 26 -1.800 24.849 -12.605 215 2HD1 LEU 26 2HD1 LEU 26 -3.371 25.140 -11.811 216 3HD1 LEU 26 3HD1 LEU 26 -1.882 25.410 -10.919 217 1HD2 LEU 26 1HD2 LEU 26 -3.246 22.225 -9.560 218 2HD2 LEU 26 2HD2 LEU 26 -3.056 23.964 -9.241 219 3HD2 LEU 26 3HD2 LEU 26 -4.357 23.395 -10.328 220 H GLY 27 H GLY 27 -2.396 23.183 -15.143 221 1HA GLY 27 1HA GLY 27 -2.916 25.993 -15.122 222 2HA GLY 27 2HA GLY 27 -2.321 25.081 -16.529 223 H GLU 28 H GLU 28 -4.230 23.564 -17.540 224 HA GLU 28 HA GLU 28 -6.090 25.409 -18.538 225 1HB GLU 28 1HB GLU 28 -5.891 22.429 -18.602 226 2HB GLU 28 2HB GLU 28 -7.430 23.175 -19.062 227 1HG GLU 28 1HG GLU 28 -6.003 22.932 -21.025 228 2HG GLU 28 2HG GLU 28 -6.345 24.618 -20.701 229 H GLU 29 H GLU 29 -6.451 23.542 -15.607 230 HA GLU 29 HA GLU 29 -9.249 24.189 -15.218 231 1HB GLU 29 1HB GLU 29 -8.282 22.259 -14.149 232 2HB GLU 29 2HB GLU 29 -7.145 23.277 -13.230 233 1HG GLU 29 1HG GLU 29 -9.029 24.300 -12.024 234 2HG GLU 29 2HG GLU 29 -10.172 23.339 -12.981 235 H LEU 30 H LEU 30 -6.163 25.721 -14.130 236 HA LEU 30 HA LEU 30 -7.546 27.762 -12.625 237 1HB LEU 30 1HB LEU 30 -4.730 27.406 -13.754 238 2HB LEU 30 2HB LEU 30 -5.223 28.993 -13.219 239 HG LEU 30 HG LEU 30 -5.081 26.545 -11.429 240 1HD1 LEU 30 1HD1 LEU 30 -2.899 27.525 -12.228 241 2HD1 LEU 30 2HD1 LEU 30 -3.400 29.079 -11.532 242 3HD1 LEU 30 3HD1 LEU 30 -3.145 27.675 -10.478 243 1HD2 LEU 30 1HD2 LEU 30 -5.758 29.467 -10.798 244 2HD2 LEU 30 2HD2 LEU 30 -6.820 28.062 -10.547 245 3HD2 LEU 30 3HD2 LEU 30 -5.354 28.239 -9.586 246 H LEU 31 H LEU 31 -6.497 27.491 -15.996 247 HA LEU 31 HA LEU 31 -7.382 30.192 -16.715 248 1HB LEU 31 1HB LEU 31 -6.941 27.635 -18.272 249 2HB LEU 31 2HB LEU 31 -7.389 29.161 -19.038 250 HG LEU 31 HG LEU 31 -5.332 30.129 -18.747 251 1HD1 LEU 31 1HD1 LEU 31 -5.271 29.951 -16.192 252 2HD1 LEU 31 2HD1 LEU 31 -4.391 28.442 -16.423 253 3HD1 LEU 31 3HD1 LEU 31 -3.785 29.945 -17.090 254 1HD2 LEU 31 1HD2 LEU 31 -5.218 27.979 -19.974 255 2HD2 LEU 31 2HD2 LEU 31 -3.668 28.505 -19.251 256 3HD2 LEU 31 3HD2 LEU 31 -4.626 27.224 -18.472 257 H ALA 32 H ALA 32 -8.951 27.087 -16.343 258 HA ALA 32 HA ALA 32 -11.442 27.853 -17.471 259 1HB ALA 32 1HB ALA 32 -10.756 25.482 -16.680 260 2HB ALA 32 2HB ALA 32 -11.271 26.004 -15.062 261 3HB ALA 32 3HB ALA 32 -12.428 25.989 -16.377 262 H GLN 33 H GLN 33 -9.826 28.869 -14.569 263 HA GLN 33 HA GLN 33 -12.239 30.098 -13.416 264 1HB GLN 33 1HB GLN 33 -9.891 28.957 -12.313 265 2HB GLN 33 2HB GLN 33 -9.666 30.704 -12.132 266 1HG GLN 33 1HG GLN 33 -11.957 30.801 -11.076 267 2HG GLN 33 2HG GLN 33 -12.063 29.038 -11.243 268 1HE2 GLN 33 2HE2 GLN 33 -9.742 31.514 -9.945 269 2HE2 GLN 33 1HE2 GLN 33 -9.357 30.605 -8.497 270 H GLY 34 H GLY 34 -9.256 30.759 -15.080 271 1HA GLY 34 1HA GLY 34 -9.410 32.582 -16.772 272 2HA GLY 34 2HA GLY 34 -9.934 33.647 -15.469 273 H ASP 35 H ASP 35 -7.488 31.430 -14.361 274 HA ASP 35 HA ASP 35 -5.677 33.750 -14.229 275 1HB ASP 35 1HB ASP 35 -6.171 32.200 -12.301 276 2HB ASP 35 2HB ASP 35 -5.032 31.081 -13.048 277 H TYR 36 H TYR 36 -5.671 33.516 -16.701 278 HA TYR 36 HA TYR 36 -4.022 31.874 -18.276 279 1HB TYR 36 1HB TYR 36 -4.531 34.843 -18.455 280 2HB TYR 36 2HB TYR 36 -3.827 33.815 -19.704 281 HD1 TYR 36 HD1 TYR 36 -6.495 31.918 -18.190 282 HD2 TYR 36 HD2 TYR 36 -5.732 35.167 -20.940 283 HE1 TYR 36 HE1 TYR 36 -8.673 31.562 -19.218 284 HE2 TYR 36 HE2 TYR 36 -7.942 34.790 -21.966 285 HH TYR 36 HH TYR 36 -10.176 32.239 -20.821 286 H GLU 37 H GLU 37 -3.107 34.452 -16.165 287 HA GLU 37 HA GLU 37 -0.380 34.655 -16.910 288 1HB GLU 37 1HB GLU 37 -1.793 36.179 -15.319 289 2HB GLU 37 2HB GLU 37 -1.299 35.068 -14.039 290 1HG GLU 37 1HG GLU 37 0.534 36.662 -15.890 291 2HG GLU 37 2HG GLU 37 0.129 37.084 -14.220 292 H LYS 38 H LYS 38 -1.974 32.762 -14.428 293 HA LYS 38 HA LYS 38 0.434 31.322 -13.715 294 1HB LYS 38 1HB LYS 38 -2.478 30.858 -13.049 295 2HB LYS 38 2HB LYS 38 -1.229 29.727 -12.559 296 1HG LYS 38 1HG LYS 38 -1.084 32.699 -11.912 297 2HG LYS 38 2HG LYS 38 -1.881 31.545 -10.842 298 1HD LYS 38 1HD LYS 38 1.033 31.231 -11.693 299 2HD LYS 38 2HD LYS 38 0.537 32.145 -10.276 300 1HE LYS 38 1HE LYS 38 -0.305 30.228 -9.162 301 2HE LYS 38 2HE LYS 38 -0.374 29.264 -10.634 302 1HZ LYS 38 1HZ LYS 38 2.028 29.318 -10.732 303 2HZ LYS 38 2HZ LYS 38 2.091 30.105 -9.286 304 3HZ LYS 38 3HZ LYS 38 1.459 28.578 -9.395 305 H GLY 39 H GLY 39 -2.088 30.692 -16.135 306 1HA GLY 39 1HA GLY 39 -1.481 27.946 -16.623 307 2HA GLY 39 2HA GLY 39 -2.007 29.101 -17.871 308 H VAL 40 H VAL 40 0.131 30.945 -17.719 309 HA VAL 40 HA VAL 40 1.889 29.668 -19.561 310 HB VAL 40 HB VAL 40 2.284 32.235 -17.922 311 1HG1 VAL 40 1HG1 VAL 40 3.828 31.112 -20.259 312 2HG1 VAL 40 2HG1 VAL 40 3.951 32.787 -19.706 313 3HG1 VAL 40 3HG1 VAL 40 4.454 31.477 -18.646 314 1HG2 VAL 40 1HG2 VAL 40 1.183 31.768 -20.735 315 2HG2 VAL 40 2HG2 VAL 40 0.362 32.518 -19.365 316 3HG2 VAL 40 3HG2 VAL 40 1.699 33.349 -20.137 317 H ASP 41 H ASP 41 2.252 30.442 -16.130 318 HA ASP 41 HA ASP 41 4.901 29.441 -15.795 319 1HB ASP 41 1HB ASP 41 4.262 30.832 -14.048 320 2HB ASP 41 2HB ASP 41 2.628 30.181 -13.979 321 H HIS 42 H HIS 42 1.792 27.935 -15.094 322 HA HIS 42 HA HIS 42 2.927 25.420 -14.292 323 1HB HIS 42 1HB HIS 42 0.114 26.257 -14.940 324 2HB HIS 42 2HB HIS 42 0.526 24.568 -14.622 325 HD1 HIS 42 HD1 HIS 42 1.019 23.844 -12.160 326 HD2 HIS 42 HD2 HIS 42 0.622 28.002 -12.648 327 HE1 HIS 42 HE1 HIS 42 0.952 24.873 -9.867 328 H LEU 43 H LEU 43 1.966 26.670 -17.501 329 HA LEU 43 HA LEU 43 2.317 23.996 -18.643 330 1HB LEU 43 1HB LEU 43 0.959 26.030 -19.658 331 2HB LEU 43 2HB LEU 43 2.539 26.490 -20.307 332 HG LEU 43 HG LEU 43 2.593 23.926 -21.066 333 1HD1 LEU 43 1HD1 LEU 43 0.488 23.291 -19.839 334 2HD1 LEU 43 2HD1 LEU 43 -0.416 24.450 -20.831 335 3HD1 LEU 43 3HD1 LEU 43 0.344 23.038 -21.584 336 1HD2 LEU 43 1HD2 LEU 43 0.847 26.048 -22.387 337 2HD2 LEU 43 2HD2 LEU 43 2.577 25.729 -22.677 338 3HD2 LEU 43 3HD2 LEU 43 1.365 24.539 -23.172 339 H THR 44 H THR 44 4.303 26.966 -18.201 340 HA THR 44 HA THR 44 6.575 26.178 -19.616 341 HB THR 44 HB THR 44 6.409 27.867 -17.123 342 HG1 THR 44 HG1 THR 44 6.763 28.370 -19.897 343 1HG2 THR 44 1HG2 THR 44 8.785 27.303 -18.951 344 2HG2 THR 44 2HG2 THR 44 8.681 28.654 -17.800 345 3HG2 THR 44 3HG2 THR 44 8.692 26.992 -17.202 346 H ASN 45 H ASN 45 5.468 25.313 -16.421 347 HA ASN 45 HA ASN 45 7.796 23.867 -15.539 348 1HB ASN 45 1HB ASN 45 4.934 23.678 -14.569 349 2HB ASN 45 2HB ASN 45 6.348 22.972 -13.764 350 1HD2 ASN 45 2HD2 ASN 45 4.399 25.194 -12.883 351 2HD2 ASN 45 1HD2 ASN 45 5.394 26.625 -12.667 352 H ALA 46 H ALA 46 4.767 22.916 -17.197 353 HA ALA 46 HA ALA 46 5.175 20.155 -17.264 354 1HB ALA 46 1HB ALA 46 3.098 21.420 -17.959 355 2HB ALA 46 2HB ALA 46 3.874 21.735 -19.520 356 3HB ALA 46 3HB ALA 46 3.546 20.081 -19.005 357 H ILE 47 H ILE 47 6.325 22.737 -19.492 358 HA ILE 47 HA ILE 47 7.852 20.995 -21.195 359 HB ILE 47 HB ILE 47 8.148 23.968 -20.655 360 1HG1 ILE 47 1HG1 ILE 47 7.364 24.088 -23.124 361 2HG1 ILE 47 2HG1 ILE 47 6.874 22.395 -22.962 362 1HG2 ILE 47 1HG2 ILE 47 9.771 22.336 -22.558 363 2HG2 ILE 47 2HG2 ILE 47 9.626 24.108 -22.618 364 3HG2 ILE 47 3HG2 ILE 47 10.334 23.348 -21.218 365 1HD1 ILE 47 1HD1 ILE 47 5.942 24.660 -21.169 366 2HD1 ILE 47 2HD1 ILE 47 5.077 24.156 -22.619 367 3HD1 ILE 47 3HD1 ILE 47 5.248 23.009 -21.290 368 H ALA 48 H ALA 48 8.630 22.563 -18.189 369 HA ALA 48 HA ALA 48 11.456 22.215 -18.367 370 1HB ALA 48 1HB ALA 48 10.431 23.850 -16.829 371 2HB ALA 48 2HB ALA 48 9.828 22.505 -15.822 372 3HB ALA 48 3HB ALA 48 11.572 22.758 -16.023 373 H VAL 49 H VAL 49 8.862 20.077 -17.360 374 HA VAL 49 HA VAL 49 10.878 18.078 -16.444 375 HB VAL 49 HB VAL 49 9.107 16.932 -15.463 376 1HG1 VAL 49 1HG1 VAL 49 10.086 19.061 -14.410 377 2HG1 VAL 49 2HG1 VAL 49 8.571 19.865 -14.856 378 3HG1 VAL 49 3HG1 VAL 49 8.553 18.483 -13.747 379 1HG2 VAL 49 1HG2 VAL 49 7.306 17.456 -17.234 380 2HG2 VAL 49 2HG2 VAL 49 6.820 17.402 -15.556 381 3HG2 VAL 49 3HG2 VAL 49 7.051 18.974 -16.345 382 H CYS 50 H CYS 50 8.921 18.881 -19.229 383 HA CYS 50 HA CYS 50 8.936 16.083 -20.195 384 1HB CYS 50 1HB CYS 50 7.020 17.333 -20.676 385 2HB CYS 50 2HB CYS 50 7.936 18.671 -21.410 386 HG CYS 50 HG CYS 50 7.921 15.513 -22.362 387 H GLY 51 H GLY 51 10.426 19.235 -21.163 388 1HA GLY 51 1HA GLY 51 12.539 19.622 -21.975 389 2HA GLY 51 2HA GLY 51 12.913 17.895 -21.919 390 H GLN 52 H GLN 52 10.012 18.192 -23.512 391 HA GLN 52 HA GLN 52 11.164 18.505 -26.295 392 1HB GLN 52 1HB GLN 52 10.743 16.097 -25.456 393 2HB GLN 52 2HB GLN 52 9.037 16.512 -25.522 394 1HG GLN 52 1HG GLN 52 9.536 15.532 -27.617 395 2HG GLN 52 2HG GLN 52 9.456 17.274 -27.944 396 1HE2 GLN 52 2HE2 GLN 52 10.653 16.364 -29.940 397 2HE2 GLN 52 1HE2 GLN 52 12.401 16.320 -29.820 398 HA PRO 53 HA PRO 53 7.657 21.371 -24.927 399 1HB PRO 53 1HB PRO 53 8.634 23.604 -26.350 400 2HB PRO 53 2HB PRO 53 8.875 23.260 -24.626 401 1HG PRO 53 1HG PRO 53 10.734 22.607 -26.909 402 2HG PRO 53 2HG PRO 53 11.138 23.330 -25.324 403 1HD PRO 53 1HD PRO 53 11.556 20.751 -25.709 404 2HD PRO 53 2HD PRO 53 10.768 21.277 -24.200 405 H GLN 54 H GLN 54 9.293 21.449 -28.051 406 HA GLN 54 HA GLN 54 7.093 22.227 -29.633 407 1HB GLN 54 1HB GLN 54 9.407 20.415 -30.493 408 2HB GLN 54 2HB GLN 54 8.374 21.389 -31.549 409 1HG GLN 54 1HG GLN 54 9.275 23.476 -30.397 410 2HG GLN 54 2HG GLN 54 10.439 22.456 -29.547 411 1HE2 GLN 54 2HE2 GLN 54 11.833 20.994 -30.990 412 2HE2 GLN 54 1HE2 GLN 54 12.371 21.711 -32.496 413 H GLN 55 H GLN 55 7.935 18.921 -28.634 414 HA GLN 55 HA GLN 55 5.933 17.708 -30.292 415 1HB GLN 55 1HB GLN 55 7.702 16.330 -29.233 416 2HB GLN 55 2HB GLN 55 7.092 16.758 -27.622 417 1HG GLN 55 1HG GLN 55 6.391 14.521 -28.208 418 2HG GLN 55 2HG GLN 55 4.980 15.567 -28.091 419 1HE2 GLN 55 2HE2 GLN 55 7.273 14.073 -30.434 420 2HE2 GLN 55 1HE2 GLN 55 6.125 14.014 -31.756 421 H LEU 56 H LEU 56 5.874 18.876 -26.938 422 HA LEU 56 HA LEU 56 3.163 18.250 -26.645 423 1HB LEU 56 1HB LEU 56 4.686 18.659 -24.706 424 2HB LEU 56 2HB LEU 56 4.703 20.381 -25.115 425 HG LEU 56 HG LEU 56 2.230 20.447 -24.750 426 1HD1 LEU 56 1HD1 LEU 56 2.331 17.588 -24.747 427 2HD1 LEU 56 2HD1 LEU 56 2.100 18.023 -23.070 428 3HD1 LEU 56 3HD1 LEU 56 0.960 18.586 -24.263 429 1HD2 LEU 56 1HD2 LEU 56 4.023 19.607 -22.480 430 2HD2 LEU 56 2HD2 LEU 56 3.744 21.240 -23.097 431 3HD2 LEU 56 3HD2 LEU 56 2.426 20.373 -22.283 432 H LEU 57 H LEU 57 4.793 21.153 -27.953 433 HA LEU 57 HA LEU 57 2.378 22.729 -28.008 434 1HB LEU 57 1HB LEU 57 4.813 22.985 -29.821 435 2HB LEU 57 2HB LEU 57 3.517 24.164 -29.638 436 HG LEU 57 HG LEU 57 5.602 23.448 -27.539 437 1HD1 LEU 57 1HD1 LEU 57 5.060 25.906 -29.184 438 2HD1 LEU 57 2HD1 LEU 57 6.217 25.810 -27.834 439 3HD1 LEU 57 3HD1 LEU 57 6.447 24.815 -29.281 440 1HD2 LEU 57 1HD2 LEU 57 3.149 25.200 -27.215 441 2HD2 LEU 57 2HD2 LEU 57 3.606 23.780 -26.256 442 3HD2 LEU 57 3HD2 LEU 57 4.573 25.248 -26.154 443 H GLN 58 H GLN 58 3.673 20.423 -30.438 444 HA GLN 58 HA GLN 58 1.549 21.184 -32.251 445 1HB GLN 58 1HB GLN 58 2.158 19.534 -33.691 446 2HB GLN 58 2HB GLN 58 3.659 20.052 -32.944 447 1HG GLN 58 1HG GLN 58 3.757 17.698 -33.204 448 2HG GLN 58 2HG GLN 58 3.580 18.016 -31.487 449 1HE2 GLN 58 2HE2 GLN 58 2.699 15.921 -31.040 450 2HE2 GLN 58 1HE2 GLN 58 1.105 15.444 -31.602 451 H VAL 59 H VAL 59 1.911 18.771 -29.678 452 HA VAL 59 HA VAL 59 -0.575 17.535 -30.075 453 HB VAL 59 HB VAL 59 1.521 16.947 -28.459 454 1HG1 VAL 59 1HG1 VAL 59 -0.738 17.822 -26.546 455 2HG1 VAL 59 2HG1 VAL 59 0.603 16.749 -26.103 456 3HG1 VAL 59 3HG1 VAL 59 0.901 18.395 -26.515 457 1HG2 VAL 59 1HG2 VAL 59 -1.175 15.847 -28.523 458 2HG2 VAL 59 2HG2 VAL 59 0.342 15.327 -29.295 459 3HG2 VAL 59 3HG2 VAL 59 0.169 15.200 -27.544 460 H LEU 60 H LEU 60 0.214 20.479 -28.356 461 HA LEU 60 HA LEU 60 -2.440 20.794 -27.130 462 1HB LEU 60 1HB LEU 60 0.082 22.412 -27.535 463 2HB LEU 60 2HB LEU 60 -1.384 23.294 -27.200 464 HG LEU 60 HG LEU 60 0.258 22.708 -25.353 465 1HD1 LEU 60 1HD1 LEU 60 -2.784 22.273 -25.102 466 2HD1 LEU 60 2HD1 LEU 60 -1.745 22.598 -23.704 467 3HD1 LEU 60 3HD1 LEU 60 -1.954 23.833 -24.960 468 1HD2 LEU 60 1HD2 LEU 60 0.213 20.228 -25.642 469 2HD2 LEU 60 2HD2 LEU 60 -0.186 20.750 -24.004 470 3HD2 LEU 60 3HD2 LEU 60 -1.463 20.187 -25.098 471 H GLN 61 H GLN 61 -0.816 21.833 -30.126 472 HA GLN 61 HA GLN 61 -2.932 23.705 -30.839 473 1HB GLN 61 1HB GLN 61 -0.728 24.107 -31.668 474 2HB GLN 61 2HB GLN 61 -0.607 22.514 -32.415 475 1HG GLN 61 1HG GLN 61 -2.777 24.410 -33.357 476 2HG GLN 61 2HG GLN 61 -1.100 24.694 -33.815 477 1HE2 GLN 61 2HE2 GLN 61 -3.836 22.497 -34.277 478 2HE2 GLN 61 1HE2 GLN 61 -3.098 21.624 -35.611 479 H GLN 62 H GLN 62 -2.220 20.375 -31.429 480 HA GLN 62 HA GLN 62 -4.098 19.836 -33.509 481 1HB GLN 62 1HB GLN 62 -2.093 18.565 -33.256 482 2HB GLN 62 2HB GLN 62 -2.463 18.201 -31.558 483 1HG GLN 62 1HG GLN 62 -2.747 16.277 -32.828 484 2HG GLN 62 2HG GLN 62 -4.329 16.792 -32.226 485 1HE2 GLN 62 2HE2 GLN 62 -5.776 17.954 -33.863 486 2HE2 GLN 62 1HE2 GLN 62 -5.593 17.545 -35.562 487 H THR 63 H THR 63 -4.218 19.600 -29.905 488 HA THR 63 HA THR 63 -6.830 18.310 -30.047 489 HB THR 63 HB THR 63 -5.288 17.692 -28.356 490 HG1 THR 63 HG1 THR 63 -6.900 17.865 -26.646 491 1HG2 THR 63 1HG2 THR 63 -5.808 20.417 -27.150 492 2HG2 THR 63 2HG2 THR 63 -5.039 19.074 -26.309 493 3HG2 THR 63 3HG2 THR 63 -4.258 19.771 -27.734 494 H LEU 64 H LEU 64 -5.616 21.591 -29.554 495 HA LEU 64 HA LEU 64 -8.126 22.636 -30.450 496 1HB LEU 64 1HB LEU 64 -9.212 23.447 -28.627 497 2HB LEU 64 2HB LEU 64 -8.588 21.975 -27.929 498 HG LEU 64 HG LEU 64 -7.348 24.743 -27.554 499 1HD1 LEU 64 1HD1 LEU 64 -9.595 24.587 -26.587 500 2HD1 LEU 64 2HD1 LEU 64 -9.134 23.097 -25.730 501 3HD1 LEU 64 3HD1 LEU 64 -8.352 24.641 -25.324 502 1HD2 LEU 64 1HD2 LEU 64 -5.728 22.840 -27.226 503 2HD2 LEU 64 2HD2 LEU 64 -6.099 23.700 -25.724 504 3HD2 LEU 64 3HD2 LEU 64 -6.864 22.133 -26.051 505 HA PRO 65 HA PRO 65 -5.475 26.060 -31.388 506 1HB PRO 65 1HB PRO 65 -7.167 28.205 -31.551 507 2HB PRO 65 2HB PRO 65 -7.092 26.895 -32.761 508 1HG PRO 65 1HG PRO 65 -9.049 27.168 -30.469 509 2HG PRO 65 2HG PRO 65 -9.406 26.805 -32.182 510 1HD PRO 65 1HD PRO 65 -9.232 24.849 -30.323 511 2HD PRO 65 2HD PRO 65 -8.584 24.585 -31.966 512 HA PRO 66 HA PRO 66 -5.139 27.409 -26.994 513 1HB PRO 66 1HB PRO 66 -2.549 27.447 -26.701 514 2HB PRO 66 2HB PRO 66 -3.393 25.934 -27.089 515 1HG PRO 66 1HG PRO 66 -1.868 27.678 -29.053 516 2HG PRO 66 2HG PRO 66 -1.809 25.912 -28.849 517 1HD PRO 66 1HD PRO 66 -3.449 27.323 -30.665 518 2HD PRO 66 2HD PRO 66 -3.707 25.653 -30.103 519 HA PRO 67 HA PRO 67 -4.595 31.852 -28.148 520 1HB PRO 67 1HB PRO 67 -6.239 32.996 -26.312 521 2HB PRO 67 2HB PRO 67 -6.877 32.161 -27.757 522 1HG PRO 67 1HG PRO 67 -6.611 31.045 -24.952 523 2HG PRO 67 2HG PRO 67 -8.027 30.977 -26.032 524 1HD PRO 67 1HD PRO 67 -6.246 28.908 -25.810 525 2HD PRO 67 2HD PRO 67 -7.075 29.301 -27.344 526 H VAL 68 H VAL 68 -4.546 30.314 -24.989 527 HA VAL 68 HA VAL 68 -3.070 32.219 -23.470 528 HB VAL 68 HB VAL 68 -3.455 29.191 -23.176 529 1HG1 VAL 68 1HG1 VAL 68 -1.877 31.079 -21.417 530 2HG1 VAL 68 2HG1 VAL 68 -2.477 29.476 -20.920 531 3HG1 VAL 68 3HG1 VAL 68 -1.306 29.599 -22.229 532 1HG2 VAL 68 1HG2 VAL 68 -5.421 30.701 -22.768 533 2HG2 VAL 68 2HG2 VAL 68 -4.864 29.913 -21.287 534 3HG2 VAL 68 3HG2 VAL 68 -4.455 31.611 -21.588 535 H PHE 69 H PHE 69 -2.054 29.416 -25.364 536 HA PHE 69 HA PHE 69 0.707 29.337 -24.986 537 1HB PHE 69 1HB PHE 69 -0.366 27.730 -26.373 538 2HB PHE 69 2HB PHE 69 -0.957 28.995 -27.465 539 HD1 PHE 69 HD1 PHE 69 2.341 27.783 -26.118 540 HD2 PHE 69 HD2 PHE 69 0.092 29.128 -29.541 541 HE1 PHE 69 HE1 PHE 69 4.326 27.473 -27.547 542 HE2 PHE 69 HE2 PHE 69 2.085 28.806 -30.973 543 HZ PHE 69 HZ PHE 69 4.207 27.982 -29.986 544 H GLN 70 H GLN 70 -1.074 31.585 -27.074 545 HA GLN 70 HA GLN 70 1.240 32.836 -28.180 546 1HB GLN 70 1HB GLN 70 -0.164 34.131 -29.337 547 2HB GLN 70 2HB GLN 70 -1.384 33.003 -28.752 548 1HG GLN 70 1HG GLN 70 -1.722 34.713 -26.801 549 2HG GLN 70 2HG GLN 70 -0.728 35.808 -27.765 550 1HE2 GLN 70 2HE2 GLN 70 -3.752 33.992 -27.592 551 2HE2 GLN 70 1HE2 GLN 70 -4.606 34.906 -28.834 552 H MET 71 H MET 71 -0.486 33.411 -25.179 553 HA MET 71 HA MET 71 0.974 35.820 -24.474 554 1HB MET 71 1HB MET 71 -0.827 34.089 -22.717 555 2HB MET 71 2HB MET 71 -0.229 35.721 -22.409 556 1HG MET 71 1HG MET 71 -1.493 36.121 -24.816 557 2HG MET 71 2HG MET 71 -2.476 34.812 -24.152 558 1HE MET 71 1HE MET 71 -3.578 34.960 -21.764 559 2HE MET 71 2HE MET 71 -2.143 35.608 -20.939 560 3HE MET 71 3HE MET 71 -3.698 36.451 -20.790 561 H LEU 72 H LEU 72 1.233 32.309 -23.936 562 HA LEU 72 HA LEU 72 3.199 32.496 -21.882 563 1HB LEU 72 1HB LEU 72 2.411 30.320 -21.930 564 2HB LEU 72 2HB LEU 72 2.068 30.409 -23.637 565 HG LEU 72 HG LEU 72 4.408 30.005 -24.183 566 1HD1 LEU 72 1HD1 LEU 72 5.479 30.764 -21.961 567 2HD1 LEU 72 2HD1 LEU 72 4.765 29.326 -21.217 568 3HD1 LEU 72 3HD1 LEU 72 5.971 29.157 -22.501 569 1HD2 LEU 72 1HD2 LEU 72 2.689 28.187 -23.961 570 2HD2 LEU 72 2HD2 LEU 72 4.338 27.623 -23.629 571 3HD2 LEU 72 3HD2 LEU 72 3.214 27.942 -22.289 572 H LEU 73 H LEU 73 3.270 32.510 -25.400 573 HA LEU 73 HA LEU 73 6.163 32.683 -25.467 574 1HB LEU 73 1HB LEU 73 4.207 33.672 -27.590 575 2HB LEU 73 2HB LEU 73 5.927 33.353 -27.812 576 HG LEU 73 HG LEU 73 3.717 31.288 -27.462 577 1HD1 LEU 73 1HD1 LEU 73 3.896 32.399 -29.597 578 2HD1 LEU 73 2HD1 LEU 73 5.616 31.948 -29.701 579 3HD1 LEU 73 3HD1 LEU 73 4.357 30.688 -29.697 580 1HD2 LEU 73 1HD2 LEU 73 6.718 30.829 -27.548 581 2HD2 LEU 73 2HD2 LEU 73 5.594 30.377 -26.240 582 3HD2 LEU 73 3HD2 LEU 73 5.481 29.587 -27.814 583 H THR 74 H THR 74 3.672 35.091 -25.196 584 HA THR 74 HA THR 74 5.571 37.246 -25.663 585 HB THR 74 HB THR 74 3.025 37.279 -26.191 586 HG1 THR 74 HG1 THR 74 3.353 39.638 -25.970 587 1HG2 THR 74 1HG2 THR 74 2.486 37.218 -23.660 588 2HG2 THR 74 2HG2 THR 74 3.200 38.837 -23.586 589 3HG2 THR 74 3HG2 THR 74 1.766 38.540 -24.606 590 H LYS 75 H LYS 75 4.496 35.410 -22.881 591 HA LYS 75 HA LYS 75 5.255 37.324 -20.880 592 1HB LYS 75 1HB LYS 75 4.399 34.516 -21.148 593 2HB LYS 75 2HB LYS 75 5.625 34.647 -19.929 594 1HG LYS 75 1HG LYS 75 3.170 36.466 -19.951 595 2HG LYS 75 2HG LYS 75 3.094 34.861 -19.262 596 1HD LYS 75 1HD LYS 75 5.096 36.939 -18.306 597 2HD LYS 75 2HD LYS 75 3.494 36.655 -17.599 598 1HE LYS 75 1HE LYS 75 4.160 34.209 -17.270 599 2HE LYS 75 2HE LYS 75 5.819 34.679 -17.686 600 1HZ LYS 75 1HZ LYS 75 5.704 36.239 -15.826 601 2HZ LYS 75 2HZ LYS 75 4.187 35.683 -15.472 602 3HZ LYS 75 3HZ LYS 75 5.467 34.671 -15.351 603 H LEU 76 H LEU 76 7.183 35.528 -23.077 604 HA LEU 76 HA LEU 76 9.508 35.320 -21.346 605 1HB LEU 76 1HB LEU 76 9.003 34.619 -24.230 606 2HB LEU 76 2HB LEU 76 10.544 34.335 -23.409 607 HG LEU 76 HG LEU 76 7.830 33.159 -22.558 608 1HD1 LEU 76 1HD1 LEU 76 8.350 32.537 -24.869 609 2HD1 LEU 76 2HD1 LEU 76 9.935 31.933 -24.352 610 3HD1 LEU 76 3HD1 LEU 76 8.443 31.162 -23.762 611 1HD2 LEU 76 1HD2 LEU 76 10.697 32.306 -21.943 612 2HD2 LEU 76 2HD2 LEU 76 9.581 33.070 -20.790 613 3HD2 LEU 76 3HD2 LEU 76 9.219 31.465 -21.436 614 HA PRO 77 HA PRO 77 11.660 38.689 -23.709 615 1HB PRO 77 1HB PRO 77 10.905 39.762 -25.971 616 2HB PRO 77 2HB PRO 77 11.551 38.089 -25.868 617 1HG PRO 77 1HG PRO 77 8.590 38.896 -25.926 618 2HG PRO 77 2HG PRO 77 9.404 37.751 -27.036 619 1HD PRO 77 1HD PRO 77 8.165 36.876 -24.736 620 2HD PRO 77 2HD PRO 77 9.718 36.177 -25.341 621 H THR 78 H THR 78 10.606 39.378 -21.860 622 HA THR 78 HA THR 78 8.512 41.380 -21.727 623 HB THR 78 HB THR 78 9.316 39.989 -19.860 624 HG1 THR 78 HG1 THR 78 8.916 41.632 -18.334 625 1HG2 THR 78 1HG2 THR 78 11.738 40.241 -19.946 626 2HG2 THR 78 2HG2 THR 78 11.563 41.930 -19.371 627 3HG2 THR 78 3HG2 THR 78 11.047 40.579 -18.361 628 H ILE 79 H ILE 79 11.937 41.506 -21.629 629 HA ILE 79 HA ILE 79 12.352 44.267 -21.561 630 HB ILE 79 HB ILE 79 14.287 42.414 -23.021 631 1HG1 ILE 79 1HG1 ILE 79 15.416 42.648 -20.567 632 2HG1 ILE 79 2HG1 ILE 79 13.723 42.671 -20.079 633 1HG2 ILE 79 1HG2 ILE 79 14.725 44.817 -23.311 634 2HG2 ILE 79 2HG2 ILE 79 14.702 45.038 -21.548 635 3HG2 ILE 79 3HG2 ILE 79 15.965 44.054 -22.318 636 1HD1 ILE 79 1HD1 ILE 79 13.487 40.513 -21.525 637 2HD1 ILE 79 2HD1 ILE 79 15.244 40.580 -21.681 638 3HD1 ILE 79 3HD1 ILE 79 14.503 40.394 -20.073 639 H SER 80 H SER 80 12.295 42.280 -24.485 640 HA SER 80 HA SER 80 12.639 44.250 -26.403 641 1HB SER 80 1HB SER 80 10.729 41.901 -26.673 642 2HB SER 80 2HB SER 80 11.646 42.708 -27.955 643 HG SER 80 HG SER 80 13.564 41.983 -26.901 644 H GLN 81 H GLN 81 9.547 43.083 -24.967 645 HA GLN 81 HA GLN 81 7.849 44.845 -26.337 646 1HB GLN 81 1HB GLN 81 7.596 43.423 -23.683 647 2HB GLN 81 2HB GLN 81 6.298 44.437 -24.335 648 1HG GLN 81 1HG GLN 81 6.072 43.095 -26.309 649 2HG GLN 81 2HG GLN 81 7.538 42.172 -25.948 650 1HE2 GLN 81 2HE2 GLN 81 7.566 40.837 -23.992 651 2HE2 GLN 81 1HE2 GLN 81 6.080 40.037 -23.519 652 H ARG 82 H ARG 82 9.619 45.280 -23.310 653 HA ARG 82 HA ARG 82 8.410 47.772 -22.628 654 1HB ARG 82 1HB ARG 82 9.877 46.217 -21.185 655 2HB ARG 82 2HB ARG 82 11.259 47.123 -21.854 656 1HG ARG 82 1HG ARG 82 10.220 49.232 -20.998 657 2HG ARG 82 2HG ARG 82 8.874 48.277 -20.361 658 1HD ARG 82 1HD ARG 82 11.121 46.959 -19.299 659 2HD ARG 82 2HD ARG 82 11.632 48.639 -19.323 660 HE ARG 82 HE ARG 82 10.184 49.112 -17.612 661 1HH1 ARG 82 1HH1 ARG 82 9.178 46.061 -19.101 662 2HH1 ARG 82 2HH1 ARG 82 8.042 45.649 -17.849 663 1HH2 ARG 82 1HH2 ARG 82 8.657 48.593 -15.959 664 2HH2 ARG 82 2HH2 ARG 82 7.730 47.124 -16.053 665 H ILE 83 H ILE 83 11.063 47.021 -24.860 666 HA ILE 83 HA ILE 83 12.021 49.737 -25.064 667 HB ILE 83 HB ILE 83 12.277 47.594 -27.243 668 1HG1 ILE 83 1HG1 ILE 83 13.482 47.701 -24.553 669 2HG1 ILE 83 2HG1 ILE 83 13.151 46.355 -25.666 670 1HG2 ILE 83 1HG2 ILE 83 12.884 49.891 -27.927 671 2HG2 ILE 83 2HG2 ILE 83 14.049 49.977 -26.594 672 3HG2 ILE 83 3HG2 ILE 83 14.263 48.814 -27.921 673 1HD1 ILE 83 1HD1 ILE 83 15.147 46.927 -26.958 674 2HD1 ILE 83 2HD1 ILE 83 15.491 48.269 -25.821 675 3HD1 ILE 83 3HD1 ILE 83 15.512 46.590 -25.248 676 H VAL 84 H VAL 84 9.870 47.678 -26.958 677 HA VAL 84 HA VAL 84 9.143 49.642 -28.900 678 HB VAL 84 HB VAL 84 7.386 47.350 -27.941 679 1HG1 VAL 84 1HG1 VAL 84 7.350 48.978 -30.514 680 2HG1 VAL 84 2HG1 VAL 84 6.378 47.523 -30.209 681 3HG1 VAL 84 3HG1 VAL 84 6.107 48.977 -29.244 682 1HG2 VAL 84 1HG2 VAL 84 9.397 47.443 -30.247 683 2HG2 VAL 84 2HG2 VAL 84 9.587 46.496 -28.761 684 3HG2 VAL 84 3HG2 VAL 84 8.292 46.100 -29.892 685 H SER 85 H SER 85 7.695 48.867 -25.788 686 HA SER 85 HA SER 85 5.744 50.993 -25.954 687 1HB SER 85 1HB SER 85 6.623 49.298 -23.590 688 2HB SER 85 2HB SER 85 5.182 50.334 -23.651 689 HG SER 85 HG SER 85 4.489 49.043 -25.456 690 H ALA 86 H ALA 86 8.309 51.956 -26.440 691 HA ALA 86 HA ALA 86 8.475 54.274 -24.830 692 1HB ALA 86 1HB ALA 86 9.585 52.745 -23.199 693 2HB ALA 86 2HB ALA 86 10.723 52.233 -24.462 694 3HB ALA 86 3HB ALA 86 10.734 53.906 -23.869 695 H GLN 87 H GLN 87 8.116 53.547 -27.549 696 HA GLN 87 HA GLN 87 10.550 53.751 -29.041 697 1HB GLN 87 1HB GLN 87 8.501 52.584 -29.847 698 2HB GLN 87 2HB GLN 87 7.704 54.149 -30.035 699 1HG GLN 87 1HG GLN 87 8.528 53.445 -32.167 700 2HG GLN 87 2HG GLN 87 9.524 54.808 -31.663 701 1HE2 GLN 87 2HE2 GLN 87 9.411 51.198 -31.658 702 2HE2 GLN 87 1HE2 GLN 87 11.142 50.988 -31.828 703 H SER 88 H SER 88 11.284 55.698 -27.771 704 HA SER 88 HA SER 88 11.805 57.949 -29.051 705 1HB SER 88 1HB SER 88 9.011 58.288 -27.916 706 2HB SER 88 2HB SER 88 10.153 59.639 -27.855 707 HG SER 88 HG SER 88 8.861 59.547 -29.788 708 H LEU 89 H LEU 89 10.388 56.933 -25.940 709 HA LEU 89 HA LEU 89 12.533 58.364 -24.443 710 1HB LEU 89 1HB LEU 89 9.944 57.098 -23.469 711 2HB LEU 89 2HB LEU 89 11.032 58.120 -22.520 712 HG LEU 89 HG LEU 89 9.388 59.044 -24.930 713 1HD1 LEU 89 1HD1 LEU 89 7.994 58.457 -22.990 714 2HD1 LEU 89 2HD1 LEU 89 8.981 59.510 -21.952 715 3HD1 LEU 89 3HD1 LEU 89 8.011 60.208 -23.266 716 1HD2 LEU 89 1HD2 LEU 89 11.060 60.646 -22.935 717 2HD2 LEU 89 2HD2 LEU 89 11.421 60.432 -24.665 718 3HD2 LEU 89 3HD2 LEU 89 9.982 61.330 -24.165 719 H GLY 90 H GLY 90 13.250 56.155 -25.909 720 1HA GLY 90 1HA GLY 90 13.905 54.117 -23.796 721 2HA GLY 90 2HA GLY 90 13.530 53.705 -25.475 722 H GLU 91 H GLU 91 15.520 56.337 -24.031 723 HA GLU 91 HA GLU 91 18.021 55.164 -24.868 724 1HB GLU 91 1HB GLU 91 17.111 56.191 -26.991 725 2HB GLU 91 2HB GLU 91 17.091 57.767 -26.183 726 1HG GLU 91 1HG GLU 91 19.567 57.610 -25.876 727 2HG GLU 91 2HG GLU 91 19.551 56.026 -26.676 728 H ASP 92 H ASP 92 19.805 56.397 -23.796 729 HA ASP 92 HA ASP 92 18.848 58.122 -21.592 730 1HB ASP 92 1HB ASP 92 20.034 56.138 -20.884 731 2HB ASP 92 2HB ASP 92 21.381 56.493 -21.982 732 H ASP 93 H ASP 93 19.802 60.267 -21.353 733 HA ASP 93 HA ASP 93 22.067 61.126 -22.829 734 1HB ASP 93 1HB ASP 93 20.409 61.182 -24.699 735 2HB ASP 93 2HB ASP 93 19.323 62.160 -23.704 736 H VAL 94 H VAL 94 22.433 63.505 -22.291 737 HA VAL 94 HA VAL 94 20.879 64.565 -20.005 738 HB VAL 94 HB VAL 94 23.892 64.072 -19.905 739 1HG1 VAL 94 1HG1 VAL 94 21.997 65.398 -17.913 740 2HG1 VAL 94 2HG1 VAL 94 23.702 65.008 -17.605 741 3HG1 VAL 94 3HG1 VAL 94 23.283 66.208 -18.832 742 1HG2 VAL 94 1HG2 VAL 94 21.623 62.845 -18.277 743 2HG2 VAL 94 2HG2 VAL 94 22.699 61.988 -19.404 744 3HG2 VAL 94 3HG2 VAL 94 23.351 62.669 -17.914 745 H GLU 95 H GLU 95 20.370 66.562 -20.662 746 HA GLU 95 HA GLU 95 21.899 67.942 -22.722 747 1HB GLU 95 1HB GLU 95 20.143 69.626 -22.565 748 2HB GLU 95 2HB GLU 95 19.487 67.999 -22.806 749 1HG GLU 95 1HG GLU 95 18.899 67.881 -20.381 750 2HG GLU 95 2HG GLU 95 19.557 69.512 -20.158 751 1H GLY 1 1H GLY 1 -13.268 20.430 -27.167 752 2H GLY 1 2H GLY 1 -14.446 20.966 -28.202 753 3H GLY 1 3H GLY 1 -12.931 21.633 -28.226 754 1HA GLY 1 1HA GLY 1 -14.433 23.116 -27.144 755 2HA GLY 1 2HA GLY 1 -14.831 21.809 -26.004 756 HA PRO 2 HA PRO 2 -11.061 24.231 -24.478 757 1HB PRO 2 1HB PRO 2 -12.087 25.610 -22.387 758 2HB PRO 2 2HB PRO 2 -12.314 26.149 -24.071 759 1HG PRO 2 1HG PRO 2 -14.261 24.529 -22.403 760 2HG PRO 2 2HG PRO 2 -14.589 26.037 -23.305 761 1HD PRO 2 1HD PRO 2 -15.102 23.565 -24.363 762 2HD PRO 2 2HD PRO 2 -14.516 24.912 -25.383 763 H ARG 3 H ARG 3 -10.804 21.766 -24.210 764 HA ARG 3 HA ARG 3 -10.517 21.182 -21.339 765 1HB ARG 3 1HB ARG 3 -12.805 20.304 -22.051 766 2HB ARG 3 2HB ARG 3 -11.957 19.253 -23.195 767 1HG ARG 3 1HG ARG 3 -10.611 18.445 -21.077 768 2HG ARG 3 2HG ARG 3 -11.890 19.237 -20.155 769 1HD ARG 3 1HD ARG 3 -13.574 17.837 -21.319 770 2HD ARG 3 2HD ARG 3 -12.304 17.051 -22.261 771 HE ARG 3 HE ARG 3 -13.087 16.544 -19.507 772 1HH1 ARG 3 1HH1 ARG 3 -10.244 16.363 -21.652 773 2HH1 ARG 3 2HH1 ARG 3 -9.584 14.968 -20.880 774 1HH2 ARG 3 2HH2 ARG 3 -12.109 14.788 -18.395 775 2HH2 ARG 3 1HH2 ARG 3 -10.606 14.122 -18.971 776 H LEU 4 H LEU 4 -8.573 20.302 -21.043 777 HA LEU 4 HA LEU 4 -6.951 19.386 -23.327 778 1HB LEU 4 1HB LEU 4 -6.480 20.778 -20.910 779 2HB LEU 4 2HB LEU 4 -5.777 19.223 -20.601 780 HG LEU 4 HG LEU 4 -4.190 20.844 -21.451 781 1HD1 LEU 4 1HD1 LEU 4 -3.748 18.488 -21.994 782 2HD1 LEU 4 2HD1 LEU 4 -4.620 18.660 -23.523 783 3HD1 LEU 4 3HD1 LEU 4 -3.124 19.573 -23.241 784 1HD2 LEU 4 1HD2 LEU 4 -5.961 22.012 -22.990 785 2HD2 LEU 4 2HD2 LEU 4 -4.246 21.992 -23.411 786 3HD2 LEU 4 3HD2 LEU 4 -5.367 20.872 -24.210 787 H SER 5 H SER 5 -5.424 17.473 -21.749 788 HA SER 5 HA SER 5 -5.330 15.225 -21.613 789 1HB SER 5 1HB SER 5 -6.481 14.277 -19.747 790 2HB SER 5 2HB SER 5 -5.811 15.870 -19.377 791 HG SER 5 HG SER 5 -7.939 16.727 -19.748 792 H ARG 6 H ARG 6 -6.090 15.443 -23.875 793 HA ARG 6 HA ARG 6 -8.209 13.423 -24.399 794 1HB ARG 6 1HB ARG 6 -7.433 15.887 -26.027 795 2HB ARG 6 2HB ARG 6 -8.473 14.611 -26.653 796 1HG ARG 6 1HG ARG 6 -9.220 16.104 -24.112 797 2HG ARG 6 2HG ARG 6 -9.499 16.816 -25.696 798 1HD ARG 6 1HD ARG 6 -11.502 15.726 -24.872 799 2HD ARG 6 2HD ARG 6 -10.951 15.000 -26.368 800 HE ARG 6 HE ARG 6 -10.758 13.887 -23.588 801 1HH1 ARG 6 1HH1 ARG 6 -10.506 13.231 -27.085 802 2HH1 ARG 6 2HH1 ARG 6 -10.374 11.513 -26.866 803 1HH2 ARG 6 1HH2 ARG 6 -10.570 11.634 -23.337 804 2HH2 ARG 6 2HH2 ARG 6 -10.405 10.604 -24.728 805 H LEU 7 H LEU 7 -5.325 15.099 -25.599 806 HA LEU 7 HA LEU 7 -4.341 12.854 -27.147 807 1HB LEU 7 1HB LEU 7 -2.373 14.174 -27.455 808 2HB LEU 7 2HB LEU 7 -3.847 15.017 -27.888 809 HG LEU 7 HG LEU 7 -2.410 16.598 -27.080 810 1HD1 LEU 7 1HD1 LEU 7 -4.648 16.948 -26.293 811 2HD1 LEU 7 2HD1 LEU 7 -4.160 16.371 -24.691 812 3HD1 LEU 7 3HD1 LEU 7 -3.347 17.773 -25.390 813 1HD2 LEU 7 1HD2 LEU 7 -0.836 15.105 -25.708 814 2HD2 LEU 7 2HD2 LEU 7 -1.242 16.645 -24.897 815 3HD2 LEU 7 3HD2 LEU 7 -2.048 15.205 -24.470 816 H LEU 8 H LEU 8 -3.637 14.154 -23.911 817 HA LEU 8 HA LEU 8 -1.558 12.291 -23.288 818 1HB LEU 8 1HB LEU 8 -3.439 13.570 -21.350 819 2HB LEU 8 2HB LEU 8 -1.850 12.830 -21.036 820 HG LEU 8 HG LEU 8 -1.414 15.069 -20.815 821 1HD1 LEU 8 1HD1 LEU 8 -0.464 14.282 -23.533 822 2HD1 LEU 8 2HD1 LEU 8 -0.067 15.835 -22.803 823 3HD1 LEU 8 3HD1 LEU 8 0.379 14.328 -21.998 824 1HD2 LEU 8 1HD2 LEU 8 -3.466 15.606 -22.880 825 2HD2 LEU 8 2HD2 LEU 8 -3.221 16.271 -21.311 826 3HD2 LEU 8 3HD2 LEU 8 -2.180 16.784 -22.652 827 H SER 9 H SER 9 -1.634 10.399 -22.152 828 HA SER 9 HA SER 9 -2.608 8.500 -21.162 829 1HB SER 9 1HB SER 9 -4.999 8.827 -23.042 830 2HB SER 9 2HB SER 9 -4.674 7.483 -21.953 831 HG SER 9 HG SER 9 -4.663 9.026 -20.209 832 H TYR 10 H TYR 10 -2.321 9.700 -24.428 833 HA TYR 10 HA TYR 10 -1.682 7.348 -25.869 834 1HB TYR 10 1HB TYR 10 -0.797 8.869 -27.467 835 2HB TYR 10 2HB TYR 10 -2.259 9.589 -26.833 836 HD1 TYR 10 HD1 TYR 10 -0.369 10.608 -24.167 837 HD2 TYR 10 HD2 TYR 10 -0.298 11.117 -28.471 838 HE1 TYR 10 HE1 TYR 10 0.910 12.597 -23.885 839 HE2 TYR 10 HE2 TYR 10 1.008 13.165 -28.150 840 HH TYR 10 HH TYR 10 1.982 14.364 -24.922 841 H ALA 11 H ALA 11 -0.096 8.852 -23.252 842 HA ALA 11 HA ALA 11 2.392 7.380 -23.452 843 1HB ALA 11 1HB ALA 11 2.113 10.430 -23.224 844 2HB ALA 11 2HB ALA 11 3.627 9.531 -23.037 845 3HB ALA 11 3HB ALA 11 2.803 9.584 -24.618 Start of MODEL 9 1 1H ARG 1 1H ARG 1 2.799 0.093 1.431 2 2H ARG 1 2H ARG 1 4.139 0.234 0.498 3 3H ARG 1 3H ARG 1 4.273 -0.311 2.057 4 HA ARG 1 HA ARG 1 3.478 1.770 2.882 5 1HB ARG 1 1HB ARG 1 5.501 3.043 2.593 6 2HB ARG 1 2HB ARG 1 5.857 1.339 2.771 7 1HG ARG 1 1HG ARG 1 7.358 1.999 1.155 8 2HG ARG 1 2HG ARG 1 6.086 1.279 0.161 9 1HD ARG 1 1HD ARG 1 5.190 3.576 -0.266 10 2HD ARG 1 2HD ARG 1 6.444 4.247 0.809 11 HE ARG 1 HE ARG 1 7.708 2.805 -1.276 12 1HH1 ARG 1 1HH1 ARG 1 5.750 5.684 -0.680 13 2HH1 ARG 1 2HH1 ARG 1 6.121 6.463 -2.188 14 1HH2 ARG 1 1HH2 ARG 1 8.413 3.918 -3.216 15 2HH2 ARG 1 2HH2 ARG 1 7.788 5.501 -3.579 16 H ALA 2 H ALA 2 3.570 4.259 2.184 17 HA ALA 2 HA ALA 2 2.068 4.634 -0.378 18 1HB ALA 2 1HB ALA 2 1.518 5.870 2.353 19 2HB ALA 2 2HB ALA 2 0.679 6.285 0.847 20 3HB ALA 2 3HB ALA 2 0.510 4.661 1.527 21 H GLY 3 H GLY 3 1.930 7.248 -0.628 22 1HA GLY 3 1HA GLY 3 3.086 9.308 -0.423 23 2HA GLY 3 2HA GLY 3 4.592 8.476 -0.071 24 H LEU 4 H LEU 4 2.777 10.027 -2.459 25 HA LEU 4 HA LEU 4 4.799 9.495 -4.494 26 1HB LEU 4 1HB LEU 4 2.787 7.820 -4.663 27 2HB LEU 4 2HB LEU 4 1.897 9.223 -5.248 28 HG LEU 4 HG LEU 4 4.111 7.593 -6.574 29 1HD1 LEU 4 1HD1 LEU 4 1.766 7.130 -6.967 30 2HD1 LEU 4 2HD1 LEU 4 1.532 8.794 -7.565 31 3HD1 LEU 4 3HD1 LEU 4 2.614 7.675 -8.435 32 1HD2 LEU 4 1HD2 LEU 4 4.960 9.975 -6.759 33 2HD2 LEU 4 2HD2 LEU 4 4.475 9.254 -8.295 34 3HD2 LEU 4 3HD2 LEU 4 3.405 10.418 -7.509 35 H SER 5 H SER 5 4.799 11.542 -3.096 36 HA SER 5 HA SER 5 3.121 13.705 -3.586 37 1HB SER 5 1HB SER 5 6.059 13.711 -2.775 38 2HB SER 5 2HB SER 5 4.932 15.064 -2.579 39 HG SER 5 HG SER 5 4.729 12.505 -1.366 40 H LYS 6 H LYS 6 3.682 15.760 -4.713 41 HA LYS 6 HA LYS 6 4.323 15.385 -7.450 42 1HB LYS 6 1HB LYS 6 4.326 17.882 -5.650 43 2HB LYS 6 2HB LYS 6 4.414 17.965 -7.402 44 1HG LYS 6 1HG LYS 6 2.118 17.191 -7.638 45 2HG LYS 6 2HG LYS 6 2.003 16.798 -5.910 46 1HD LYS 6 1HD LYS 6 2.077 19.066 -5.257 47 2HD LYS 6 2HD LYS 6 2.645 19.605 -6.844 48 1HE LYS 6 1HE LYS 6 0.199 20.084 -6.368 49 2HE LYS 6 2HE LYS 6 0.550 19.243 -7.886 50 1HZ LYS 6 1HZ LYS 6 -0.390 17.882 -5.443 51 2HZ LYS 6 2HZ LYS 6 -1.297 18.256 -6.788 52 3HZ LYS 6 3HZ LYS 6 -0.087 17.219 -6.945 53 H LEU 7 H LEU 7 6.311 15.635 -8.606 54 HA LEU 7 HA LEU 7 8.535 15.380 -8.838 55 1HB LEU 7 1HB LEU 7 8.620 17.922 -7.181 56 2HB LEU 7 2HB LEU 7 9.813 17.380 -8.371 57 HG LEU 7 HG LEU 7 6.928 18.215 -8.937 58 1HD1 LEU 7 1HD1 LEU 7 8.445 20.071 -8.345 59 2HD1 LEU 7 2HD1 LEU 7 9.562 19.568 -9.632 60 3HD1 LEU 7 3HD1 LEU 7 7.933 20.147 -10.040 61 1HD2 LEU 7 1HD2 LEU 7 9.109 17.426 -10.930 62 2HD2 LEU 7 2HD2 LEU 7 7.627 16.489 -10.601 63 3HD2 LEU 7 3HD2 LEU 7 7.539 18.090 -11.314 64 HA PRO 8 HA PRO 8 9.262 13.458 -4.768 65 1HB PRO 8 1HB PRO 8 9.260 10.835 -5.533 66 2HB PRO 8 2HB PRO 8 7.778 11.768 -5.184 67 1HG PRO 8 1HG PRO 8 8.934 11.092 -7.882 68 2HG PRO 8 2HG PRO 8 7.236 11.075 -7.346 69 1HD PRO 8 1HD PRO 8 8.420 13.186 -8.747 70 2HD PRO 8 2HD PRO 8 7.009 13.366 -7.698 71 H ASP 9 H ASP 9 10.634 12.169 -7.834 72 HA ASP 9 HA ASP 9 13.385 12.713 -6.890 73 1HB ASP 9 1HB ASP 9 12.896 10.503 -5.993 74 2HB ASP 9 2HB ASP 9 12.302 9.952 -7.569 75 H LEU 10 H LEU 10 11.237 11.568 -9.472 76 HA LEU 10 HA LEU 10 11.079 12.051 -11.611 77 1HB LEU 10 1HB LEU 10 13.780 13.466 -11.657 78 2HB LEU 10 2HB LEU 10 12.461 13.611 -12.812 79 HG LEU 10 HG LEU 10 12.376 14.632 -9.922 80 1HD1 LEU 10 1HD1 LEU 10 13.864 15.882 -11.384 81 2HD1 LEU 10 2HD1 LEU 10 12.555 16.060 -12.580 82 3HD1 LEU 10 3HD1 LEU 10 12.406 16.814 -10.969 83 1HD2 LEU 10 1HD2 LEU 10 10.140 13.877 -10.743 84 2HD2 LEU 10 2HD2 LEU 10 10.279 15.623 -10.537 85 3HD2 LEU 10 3HD2 LEU 10 10.361 14.924 -12.171 86 H LYS 11 H LYS 11 13.624 10.339 -10.394 87 HA LYS 11 HA LYS 11 14.664 9.241 -12.868 88 1HB LYS 11 1HB LYS 11 14.376 7.942 -10.142 89 2HB LYS 11 2HB LYS 11 15.166 7.163 -11.513 90 1HG LYS 11 1HG LYS 11 16.882 8.819 -11.678 91 2HG LYS 11 2HG LYS 11 16.053 9.902 -10.557 92 1HD LYS 11 1HD LYS 11 16.266 7.932 -8.833 93 2HD LYS 11 2HD LYS 11 17.496 7.295 -9.931 94 1HE LYS 11 1HE LYS 11 17.438 10.021 -8.536 95 2HE LYS 11 2HE LYS 11 18.475 8.653 -8.109 96 1HZ LYS 11 1HZ LYS 11 19.524 8.872 -10.257 97 2HZ LYS 11 2HZ LYS 11 18.568 10.168 -10.625 98 3HZ LYS 11 3HZ LYS 11 19.647 10.263 -9.384 99 H ASP 12 H ASP 12 11.747 8.547 -10.928 100 HA ASP 12 HA ASP 12 10.895 6.344 -12.629 101 1HB ASP 12 1HB ASP 12 9.293 7.973 -10.635 102 2HB ASP 12 2HB ASP 12 8.863 6.403 -11.345 103 H ALA 13 H ALA 13 9.522 6.495 -14.276 104 HA ALA 13 HA ALA 13 9.065 9.097 -15.553 105 1HB ALA 13 1HB ALA 13 9.878 7.165 -16.873 106 2HB ALA 13 2HB ALA 13 8.402 6.262 -16.469 107 3HB ALA 13 3HB ALA 13 8.303 7.730 -17.466 108 H GLU 14 H GLU 14 7.138 6.500 -14.192 109 HA GLU 14 HA GLU 14 4.589 7.457 -14.917 110 1HB GLU 14 1HB GLU 14 3.719 6.069 -13.094 111 2HB GLU 14 2HB GLU 14 4.895 5.218 -14.103 112 1HG GLU 14 1HG GLU 14 6.637 5.520 -12.366 113 2HG GLU 14 2HG GLU 14 5.480 6.405 -11.352 114 H ALA 15 H ALA 15 6.621 8.301 -12.146 115 HA ALA 15 HA ALA 15 4.694 9.916 -10.733 116 1HB ALA 15 1HB ALA 15 7.747 10.113 -10.759 117 2HB ALA 15 2HB ALA 15 6.660 10.895 -9.606 118 3HB ALA 15 3HB ALA 15 6.780 9.122 -9.637 119 H VAL 16 H VAL 16 7.067 10.495 -13.223 120 HA VAL 16 HA VAL 16 6.806 13.399 -13.219 121 HB VAL 16 HB VAL 16 8.483 11.446 -14.592 122 1HG1 VAL 16 1HG1 VAL 16 7.696 13.809 -16.255 123 2HG1 VAL 16 2HG1 VAL 16 9.040 12.675 -16.543 124 3HG1 VAL 16 3HG1 VAL 16 7.376 12.086 -16.637 125 1HG2 VAL 16 1HG2 VAL 16 9.250 12.898 -12.925 126 2HG2 VAL 16 2HG2 VAL 16 10.142 13.006 -14.456 127 3HG2 VAL 16 3HG2 VAL 16 8.972 14.289 -14.029 128 H GLN 17 H GLN 17 5.353 10.668 -14.978 129 HA GLN 17 HA GLN 17 3.868 12.365 -16.766 130 1HB GLN 17 1HB GLN 17 4.230 10.019 -17.315 131 2HB GLN 17 2HB GLN 17 3.205 9.512 -15.948 132 1HG GLN 17 1HG GLN 17 1.258 10.553 -16.934 133 2HG GLN 17 2HG GLN 17 2.245 11.356 -18.169 134 1HE2 GLN 17 2HE2 GLN 17 0.601 10.341 -19.628 135 2HE2 GLN 17 1HE2 GLN 17 0.910 8.718 -20.197 136 H LYS 18 H LYS 18 3.168 10.881 -13.594 137 HA LYS 18 HA LYS 18 0.447 11.673 -13.447 138 1HB LYS 18 1HB LYS 18 2.492 11.384 -11.187 139 2HB LYS 18 2HB LYS 18 0.767 11.588 -10.937 140 1HG LYS 18 1HG LYS 18 1.156 9.339 -12.735 141 2HG LYS 18 2HG LYS 18 2.262 9.189 -11.367 142 1HD LYS 18 1HD LYS 18 0.320 8.024 -10.764 143 2HD LYS 18 2HD LYS 18 0.378 9.495 -9.781 144 1HE LYS 18 1HE LYS 18 -1.299 10.555 -11.328 145 2HE LYS 18 2HE LYS 18 -1.323 9.065 -12.293 146 1HZ LYS 18 1HZ LYS 18 -2.156 7.914 -10.377 147 2HZ LYS 18 2HZ LYS 18 -2.133 9.295 -9.478 148 3HZ LYS 18 3HZ LYS 18 -3.139 9.172 -10.774 149 H PHE 19 H PHE 19 3.305 13.346 -12.088 150 HA PHE 19 HA PHE 19 1.868 15.696 -11.337 151 1HB PHE 19 1HB PHE 19 3.938 15.404 -10.266 152 2HB PHE 19 2HB PHE 19 4.777 14.989 -11.759 153 HD1 PHE 19 HD1 PHE 19 5.354 16.665 -13.443 154 HD2 PHE 19 HD2 PHE 19 3.779 17.799 -9.605 155 HE1 PHE 19 HE1 PHE 19 6.116 19.007 -13.796 156 HE2 PHE 19 HE2 PHE 19 4.577 20.113 -9.963 157 HZ PHE 19 HZ PHE 19 5.781 20.682 -12.183 158 H PHE 20 H PHE 20 3.704 14.956 -14.324 159 HA PHE 20 HA PHE 20 3.637 17.491 -15.500 160 1HB PHE 20 1HB PHE 20 4.978 15.822 -16.454 161 2HB PHE 20 2HB PHE 20 3.605 14.718 -16.677 162 HD1 PHE 20 HD1 PHE 20 4.385 18.226 -17.744 163 HD2 PHE 20 HD2 PHE 20 3.278 14.219 -18.884 164 HE1 PHE 20 HE1 PHE 20 4.291 18.920 -20.129 165 HE2 PHE 20 HE2 PHE 20 3.192 14.917 -21.257 166 HZ PHE 20 HZ PHE 20 3.706 17.245 -21.878 167 H LEU 21 H LEU 21 1.252 14.791 -15.792 168 HA LEU 21 HA LEU 21 -0.671 16.391 -17.235 169 1HB LEU 21 1HB LEU 21 -0.486 13.636 -16.018 170 2HB LEU 21 2HB LEU 21 -2.085 14.307 -15.937 171 HG LEU 21 HG LEU 21 -0.613 14.036 -18.620 172 1HD1 LEU 21 1HD1 LEU 21 -2.519 12.171 -17.153 173 2HD1 LEU 21 2HD1 LEU 21 -1.994 12.000 -18.843 174 3HD1 LEU 21 3HD1 LEU 21 -0.814 11.870 -17.533 175 1HD2 LEU 21 1HD2 LEU 21 -3.472 14.674 -17.736 176 2HD2 LEU 21 2HD2 LEU 21 -2.360 15.710 -18.662 177 3HD2 LEU 21 3HD2 LEU 21 -3.022 14.247 -19.371 178 H GLU 22 H GLU 22 -0.179 15.815 -13.749 179 HA GLU 22 HA GLU 22 -2.686 16.967 -13.021 180 1HB GLU 22 1HB GLU 22 -1.129 15.805 -11.411 181 2HB GLU 22 2HB GLU 22 -0.079 17.239 -11.463 182 1HG GLU 22 1HG GLU 22 -1.962 18.634 -10.635 183 2HG GLU 22 2HG GLU 22 -3.011 17.214 -10.623 184 H GLU 23 H GLU 23 0.362 18.367 -14.157 185 HA GLU 23 HA GLU 23 -0.342 21.089 -13.453 186 1HB GLU 23 1HB GLU 23 1.964 20.131 -13.414 187 2HB GLU 23 2HB GLU 23 1.981 20.165 -15.188 188 1HG GLU 23 1HG GLU 23 1.758 22.529 -15.208 189 2HG GLU 23 2HG GLU 23 1.265 22.601 -13.509 190 H ILE 24 H ILE 24 -0.216 19.133 -16.417 191 HA ILE 24 HA ILE 24 -1.046 21.196 -18.271 192 HB ILE 24 HB ILE 24 -0.868 18.200 -18.367 193 1HG1 ILE 24 1HG1 ILE 24 -0.089 20.387 -20.284 194 2HG1 ILE 24 2HG1 ILE 24 0.852 19.038 -19.632 195 1HG2 ILE 24 1HG2 ILE 24 -3.246 18.245 -18.794 196 2HG2 ILE 24 2HG2 ILE 24 -2.946 19.290 -20.208 197 3HG2 ILE 24 3HG2 ILE 24 -2.287 17.656 -20.085 198 1HD1 ILE 24 1HD1 ILE 24 -1.341 18.764 -21.728 199 2HD1 ILE 24 2HD1 ILE 24 0.364 18.859 -21.999 200 3HD1 ILE 24 3HD1 ILE 24 -0.260 17.496 -21.063 201 H GLN 25 H GLN 25 -2.911 18.917 -16.309 202 HA GLN 25 HA GLN 25 -5.487 20.011 -17.075 203 1HB GLN 25 1HB GLN 25 -4.649 18.299 -14.686 204 2HB GLN 25 2HB GLN 25 -6.319 18.602 -15.168 205 1HG GLN 25 1HG GLN 25 -6.081 17.280 -17.197 206 2HG GLN 25 2HG GLN 25 -4.342 17.095 -16.973 207 1HE2 GLN 25 2HE2 GLN 25 -3.658 16.103 -14.848 208 2HE2 GLN 25 1HE2 GLN 25 -4.594 14.711 -14.316 209 H LEU 26 H LEU 26 -3.560 20.413 -14.155 210 HA LEU 26 HA LEU 26 -5.294 22.196 -12.793 211 1HB LEU 26 1HB LEU 26 -3.496 21.217 -11.632 212 2HB LEU 26 2HB LEU 26 -2.286 21.933 -12.726 213 HG LEU 26 HG LEU 26 -2.181 22.828 -10.556 214 1HD1 LEU 26 1HD1 LEU 26 -1.707 24.298 -12.574 215 2HD1 LEU 26 2HD1 LEU 26 -3.271 25.089 -12.233 216 3HD1 LEU 26 3HD1 LEU 26 -2.005 25.099 -11.012 217 1HD2 LEU 26 1HD2 LEU 26 -4.476 22.486 -9.895 218 2HD2 LEU 26 2HD2 LEU 26 -3.935 24.156 -9.578 219 3HD2 LEU 26 3HD2 LEU 26 -5.001 23.814 -10.973 220 H GLY 27 H GLY 27 -2.758 22.929 -15.211 221 1HA GLY 27 1HA GLY 27 -3.112 25.777 -15.209 222 2HA GLY 27 2HA GLY 27 -2.468 24.826 -16.571 223 H GLU 28 H GLU 28 -4.298 23.529 -17.870 224 HA GLU 28 HA GLU 28 -6.031 25.456 -18.854 225 1HB GLU 28 1HB GLU 28 -7.309 23.833 -19.941 226 2HB GLU 28 2HB GLU 28 -5.590 23.363 -20.011 227 1HG GLU 28 1HG GLU 28 -5.933 21.897 -18.104 228 2HG GLU 28 2HG GLU 28 -7.650 22.323 -18.020 229 H GLU 29 H GLU 29 -6.687 23.515 -16.006 230 HA GLU 29 HA GLU 29 -9.481 24.226 -15.781 231 1HB GLU 29 1HB GLU 29 -8.539 22.249 -14.672 232 2HB GLU 29 2HB GLU 29 -7.560 23.302 -13.622 233 1HG GLU 29 1HG GLU 29 -9.440 22.543 -12.384 234 2HG GLU 29 2HG GLU 29 -9.691 24.260 -12.702 235 H LEU 30 H LEU 30 -6.437 25.620 -14.402 236 HA LEU 30 HA LEU 30 -7.849 27.695 -12.979 237 1HB LEU 30 1HB LEU 30 -4.979 27.259 -13.928 238 2HB LEU 30 2HB LEU 30 -5.457 28.869 -13.457 239 HG LEU 30 HG LEU 30 -5.470 26.455 -11.617 240 1HD1 LEU 30 1HD1 LEU 30 -3.240 27.404 -12.310 241 2HD1 LEU 30 2HD1 LEU 30 -3.751 28.965 -11.638 242 3HD1 LEU 30 3HD1 LEU 30 -3.581 27.555 -10.574 243 1HD2 LEU 30 1HD2 LEU 30 -6.130 29.407 -11.082 244 2HD2 LEU 30 2HD2 LEU 30 -7.242 28.037 -10.871 245 3HD2 LEU 30 3HD2 LEU 30 -5.834 28.199 -9.822 246 H LEU 31 H LEU 31 -6.599 27.395 -16.278 247 HA LEU 31 HA LEU 31 -7.278 30.126 -17.053 248 1HB LEU 31 1HB LEU 31 -6.938 27.541 -18.585 249 2HB LEU 31 2HB LEU 31 -7.317 29.074 -19.373 250 HG LEU 31 HG LEU 31 -5.299 30.043 -18.902 251 1HD1 LEU 31 1HD1 LEU 31 -5.199 29.540 -16.368 252 2HD1 LEU 31 2HD1 LEU 31 -4.370 28.049 -16.838 253 3HD1 LEU 31 3HD1 LEU 31 -3.738 29.611 -17.296 254 1HD2 LEU 31 1HD2 LEU 31 -5.182 27.969 -20.331 255 2HD2 LEU 31 2HD2 LEU 31 -3.634 28.434 -19.547 256 3HD2 LEU 31 3HD2 LEU 31 -4.595 27.100 -18.890 257 H ALA 32 H ALA 32 -9.037 27.113 -16.855 258 HA ALA 32 HA ALA 32 -11.430 27.979 -18.098 259 1HB ALA 32 1HB ALA 32 -10.848 25.568 -17.343 260 2HB ALA 32 2HB ALA 32 -11.436 26.056 -15.741 261 3HB ALA 32 3HB ALA 32 -12.522 26.106 -17.112 262 H GLN 33 H GLN 33 -9.971 28.878 -15.084 263 HA GLN 33 HA GLN 33 -12.415 30.142 -14.031 264 1HB GLN 33 1HB GLN 33 -10.149 28.911 -12.843 265 2HB GLN 33 2HB GLN 33 -9.909 30.648 -12.588 266 1HG GLN 33 1HG GLN 33 -12.234 30.755 -11.638 267 2HG GLN 33 2HG GLN 33 -12.397 29.010 -11.916 268 1HE2 GLN 33 2HE2 GLN 33 -9.922 31.220 -10.418 269 2HE2 GLN 33 1HE2 GLN 33 -9.724 30.244 -8.976 270 H GLY 34 H GLY 34 -9.334 30.764 -15.525 271 1HA GLY 34 1HA GLY 34 -9.392 32.632 -17.186 272 2HA GLY 34 2HA GLY 34 -9.916 33.679 -15.868 273 H ASP 35 H ASP 35 -7.566 31.356 -14.768 274 HA ASP 35 HA ASP 35 -5.689 33.623 -14.563 275 1HB ASP 35 1HB ASP 35 -6.325 32.127 -12.640 276 2HB ASP 35 2HB ASP 35 -5.201 30.950 -13.322 277 H TYR 36 H TYR 36 -5.545 33.430 -17.004 278 HA TYR 36 HA TYR 36 -3.927 31.685 -18.476 279 1HB TYR 36 1HB TYR 36 -3.743 34.652 -18.823 280 2HB TYR 36 2HB TYR 36 -3.762 33.379 -20.039 281 HD1 TYR 36 HD1 TYR 36 -6.130 31.914 -19.907 282 HD2 TYR 36 HD2 TYR 36 -5.607 36.040 -18.765 283 HE1 TYR 36 HE1 TYR 36 -8.551 32.316 -20.235 284 HE2 TYR 36 HE2 TYR 36 -8.018 36.436 -19.097 285 HH TYR 36 HH TYR 36 -10.044 35.523 -19.679 286 H GLU 37 H GLU 37 -2.911 34.294 -16.424 287 HA GLU 37 HA GLU 37 -0.158 34.169 -17.088 288 1HB GLU 37 1HB GLU 37 -1.185 36.071 -15.877 289 2HB GLU 37 2HB GLU 37 -1.290 35.082 -14.409 290 1HG GLU 37 1HG GLU 37 0.935 35.323 -13.961 291 2HG GLU 37 2HG GLU 37 1.420 35.079 -15.640 292 H LYS 38 H LYS 38 -2.003 32.543 -14.583 293 HA LYS 38 HA LYS 38 0.294 31.018 -13.695 294 1HB LYS 38 1HB LYS 38 -2.670 30.653 -13.221 295 2HB LYS 38 2HB LYS 38 -1.511 29.462 -12.675 296 1HG LYS 38 1HG LYS 38 -1.398 32.412 -11.924 297 2HG LYS 38 2HG LYS 38 -2.162 31.180 -10.922 298 1HD LYS 38 1HD LYS 38 0.805 31.160 -11.662 299 2HD LYS 38 2HD LYS 38 0.147 31.856 -10.192 300 1HE LYS 38 1HE LYS 38 -0.422 29.807 -9.254 301 2HE LYS 38 2HE LYS 38 -0.558 28.990 -10.806 302 1HZ LYS 38 1HZ LYS 38 1.857 29.157 -11.032 303 2HZ LYS 38 2HZ LYS 38 1.954 29.778 -9.515 304 3HZ LYS 38 3HZ LYS 38 1.361 28.252 -9.768 305 H GLY 39 H GLY 39 -2.067 30.507 -16.295 306 1HA GLY 39 1HA GLY 39 -1.315 27.778 -16.810 307 2HA GLY 39 2HA GLY 39 -1.926 28.924 -18.028 308 H VAL 40 H VAL 40 0.114 30.957 -17.765 309 HA VAL 40 HA VAL 40 1.953 29.774 -19.634 310 HB VAL 40 HB VAL 40 2.172 32.388 -18.034 311 1HG1 VAL 40 1HG1 VAL 40 3.940 31.240 -20.201 312 2HG1 VAL 40 2HG1 VAL 40 3.894 32.960 -19.784 313 3HG1 VAL 40 3HG1 VAL 40 4.409 31.785 -18.579 314 1HG2 VAL 40 1HG2 VAL 40 1.311 31.867 -20.917 315 2HG2 VAL 40 2HG2 VAL 40 0.348 32.598 -19.633 316 3HG2 VAL 40 3HG2 VAL 40 1.736 33.461 -20.282 317 H ASP 41 H ASP 41 2.242 30.589 -16.224 318 HA ASP 41 HA ASP 41 4.930 29.736 -15.799 319 1HB ASP 41 1HB ASP 41 4.094 31.079 -14.085 320 2HB ASP 41 2HB ASP 41 2.534 30.251 -14.041 321 H HIS 42 H HIS 42 1.908 28.048 -15.140 322 HA HIS 42 HA HIS 42 3.164 25.600 -14.356 323 1HB HIS 42 1HB HIS 42 0.302 26.302 -15.031 324 2HB HIS 42 2HB HIS 42 0.789 24.636 -14.753 325 HD1 HIS 42 HD1 HIS 42 2.459 24.406 -12.436 326 HD2 HIS 42 HD2 HIS 42 -0.501 27.374 -12.600 327 HE1 HIS 42 HE1 HIS 42 1.956 25.107 -10.049 328 H LEU 43 H LEU 43 2.031 26.792 -17.536 329 HA LEU 43 HA LEU 43 2.395 24.147 -18.673 330 1HB LEU 43 1HB LEU 43 1.107 26.187 -19.744 331 2HB LEU 43 2HB LEU 43 2.709 26.600 -20.382 332 HG LEU 43 HG LEU 43 2.635 23.955 -20.981 333 1HD1 LEU 43 1HD1 LEU 43 0.375 23.634 -19.878 334 2HD1 LEU 43 2HD1 LEU 43 -0.317 24.808 -21.016 335 3HD1 LEU 43 3HD1 LEU 43 0.324 23.272 -21.613 336 1HD2 LEU 43 1HD2 LEU 43 1.140 26.133 -22.524 337 2HD2 LEU 43 2HD2 LEU 43 2.862 25.692 -22.685 338 3HD2 LEU 43 3HD2 LEU 43 1.603 24.555 -23.197 339 H THR 44 H THR 44 4.421 27.104 -18.283 340 HA THR 44 HA THR 44 6.705 26.196 -19.632 341 HB THR 44 HB THR 44 6.643 27.984 -17.198 342 HG1 THR 44 HG1 THR 44 5.532 28.759 -19.018 343 1HG2 THR 44 1HG2 THR 44 8.825 27.432 -19.260 344 2HG2 THR 44 2HG2 THR 44 8.835 28.762 -18.088 345 3HG2 THR 44 3HG2 THR 44 8.923 27.091 -17.517 346 H ASN 45 H ASN 45 5.561 25.517 -16.397 347 HA ASN 45 HA ASN 45 7.880 24.047 -15.468 348 1HB ASN 45 1HB ASN 45 5.077 24.311 -14.434 349 2HB ASN 45 2HB ASN 45 6.189 23.103 -13.768 350 1HD2 ASN 45 2HD2 ASN 45 5.541 26.566 -14.017 351 2HD2 ASN 45 1HD2 ASN 45 6.656 27.049 -12.777 352 H ALA 46 H ALA 46 4.769 23.125 -17.015 353 HA ALA 46 HA ALA 46 5.093 20.358 -16.842 354 1HB ALA 46 1HB ALA 46 3.017 21.554 -17.422 355 2HB ALA 46 2HB ALA 46 3.643 21.836 -19.059 356 3HB ALA 46 3HB ALA 46 3.346 20.192 -18.466 357 H ILE 47 H ILE 47 6.302 22.723 -19.242 358 HA ILE 47 HA ILE 47 7.672 20.822 -20.914 359 HB ILE 47 HB ILE 47 8.157 23.791 -20.466 360 1HG1 ILE 47 1HG1 ILE 47 7.492 23.834 -22.985 361 2HG1 ILE 47 2HG1 ILE 47 6.877 22.192 -22.742 362 1HG2 ILE 47 1HG2 ILE 47 9.759 22.030 -22.272 363 2HG2 ILE 47 2HG2 ILE 47 9.731 23.811 -22.319 364 3HG2 ILE 47 3HG2 ILE 47 10.334 23.001 -20.907 365 1HD1 ILE 47 1HD1 ILE 47 6.059 24.620 -21.122 366 2HD1 ILE 47 2HD1 ILE 47 5.182 24.061 -22.544 367 3HD1 ILE 47 3HD1 ILE 47 5.279 22.998 -21.142 368 H ALA 48 H ALA 48 8.599 22.484 -18.003 369 HA ALA 48 HA ALA 48 11.374 21.935 -18.106 370 1HB ALA 48 1HB ALA 48 10.354 23.595 -16.532 371 2HB ALA 48 2HB ALA 48 9.763 22.234 -15.542 372 3HB ALA 48 3HB ALA 48 11.495 22.470 -15.768 373 H VAL 49 H VAL 49 8.640 19.989 -17.055 374 HA VAL 49 HA VAL 49 10.518 17.854 -16.145 375 HB VAL 49 HB VAL 49 8.715 16.883 -15.084 376 1HG1 VAL 49 1HG1 VAL 49 9.816 19.007 -14.142 377 2HG1 VAL 49 2HG1 VAL 49 8.334 19.865 -14.601 378 3HG1 VAL 49 3HG1 VAL 49 8.265 18.535 -13.433 379 1HG2 VAL 49 1HG2 VAL 49 6.916 17.453 -16.874 380 2HG2 VAL 49 2HG2 VAL 49 6.457 17.429 -15.190 381 3HG2 VAL 49 3HG2 VAL 49 6.742 18.986 -15.991 382 H CYS 50 H CYS 50 8.681 18.745 -18.990 383 HA CYS 50 HA CYS 50 8.399 15.895 -19.762 384 1HB CYS 50 1HB CYS 50 6.596 17.469 -20.089 385 2HB CYS 50 2HB CYS 50 7.568 18.368 -21.282 386 HG CYS 50 HG CYS 50 5.809 16.820 -22.462 387 H GLY 51 H GLY 51 10.192 18.842 -20.831 388 1HA GLY 51 1HA GLY 51 12.333 18.915 -21.672 389 2HA GLY 51 2HA GLY 51 12.410 17.154 -21.743 390 H GLN 52 H GLN 52 9.605 17.690 -23.286 391 HA GLN 52 HA GLN 52 10.783 18.132 -26.042 392 1HB GLN 52 1HB GLN 52 9.153 16.612 -26.816 393 2HB GLN 52 2HB GLN 52 10.376 15.899 -25.735 394 1HG GLN 52 1HG GLN 52 8.804 15.632 -23.968 395 2HG GLN 52 2HG GLN 52 7.528 16.491 -24.871 396 1HE2 GLN 52 2HE2 GLN 52 9.790 13.692 -25.241 397 2HE2 GLN 52 1HE2 GLN 52 8.614 12.668 -26.045 398 HA PRO 53 HA PRO 53 7.693 21.407 -24.659 399 1HB PRO 53 1HB PRO 53 8.992 23.492 -26.061 400 2HB PRO 53 2HB PRO 53 9.156 23.125 -24.337 401 1HG PRO 53 1HG PRO 53 10.949 22.229 -26.587 402 2HG PRO 53 2HG PRO 53 11.415 22.875 -24.987 403 1HD PRO 53 1HD PRO 53 11.479 20.278 -25.406 404 2HD PRO 53 2HD PRO 53 10.755 20.886 -23.892 405 H GLN 54 H GLN 54 9.396 21.363 -27.737 406 HA GLN 54 HA GLN 54 7.326 22.411 -29.350 407 1HB GLN 54 1HB GLN 54 9.472 20.392 -30.192 408 2HB GLN 54 2HB GLN 54 8.587 21.503 -31.250 409 1HG GLN 54 1HG GLN 54 9.686 23.442 -30.039 410 2HG GLN 54 2HG GLN 54 10.658 22.283 -29.122 411 1HE2 GLN 54 2HE2 GLN 54 12.005 24.145 -30.556 412 2HE2 GLN 54 1HE2 GLN 54 12.741 23.398 -31.960 413 H GLN 55 H GLN 55 7.975 18.964 -28.611 414 HA GLN 55 HA GLN 55 5.863 18.064 -30.273 415 1HB GLN 55 1HB GLN 55 7.583 16.505 -29.388 416 2HB GLN 55 2HB GLN 55 6.935 16.725 -27.751 417 1HG GLN 55 1HG GLN 55 6.182 14.628 -28.762 418 2HG GLN 55 2HG GLN 55 4.818 15.679 -28.396 419 1HE2 GLN 55 2HE2 GLN 55 3.728 16.777 -30.220 420 2HE2 GLN 55 1HE2 GLN 55 3.870 16.118 -31.842 421 H LEU 56 H LEU 56 5.927 19.095 -26.886 422 HA LEU 56 HA LEU 56 3.192 18.513 -26.477 423 1HB LEU 56 1HB LEU 56 4.823 18.783 -24.592 424 2HB LEU 56 2HB LEU 56 4.913 20.514 -24.951 425 HG LEU 56 HG LEU 56 2.457 20.704 -24.472 426 1HD1 LEU 56 1HD1 LEU 56 2.477 17.822 -24.527 427 2HD1 LEU 56 2HD1 LEU 56 2.226 18.294 -22.859 428 3HD1 LEU 56 3HD1 LEU 56 1.138 18.889 -24.073 429 1HD2 LEU 56 1HD2 LEU 56 4.310 19.671 -22.319 430 2HD2 LEU 56 2HD2 LEU 56 4.087 21.348 -22.847 431 3HD2 LEU 56 3HD2 LEU 56 2.766 20.508 -22.014 432 H LEU 57 H LEU 57 4.864 21.486 -27.604 433 HA LEU 57 HA LEU 57 2.450 23.079 -27.547 434 1HB LEU 57 1HB LEU 57 4.804 23.540 -29.406 435 2HB LEU 57 2HB LEU 57 3.561 24.687 -28.903 436 HG LEU 57 HG LEU 57 5.967 23.701 -27.400 437 1HD1 LEU 57 1HD1 LEU 57 5.947 25.807 -28.750 438 2HD1 LEU 57 2HD1 LEU 57 4.864 26.480 -27.503 439 3HD1 LEU 57 3HD1 LEU 57 6.483 25.930 -27.064 440 1HD2 LEU 57 1HD2 LEU 57 3.532 24.926 -26.022 441 2HD2 LEU 57 2HD2 LEU 57 4.212 23.316 -25.700 442 3HD2 LEU 57 3HD2 LEU 57 5.143 24.756 -25.303 443 H GLN 58 H GLN 58 3.790 20.853 -29.912 444 HA GLN 58 HA GLN 58 1.851 21.423 -31.965 445 1HB GLN 58 1HB GLN 58 3.902 20.152 -32.452 446 2HB GLN 58 2HB GLN 58 3.392 18.854 -31.367 447 1HG GLN 58 1HG GLN 58 1.453 18.375 -32.804 448 2HG GLN 58 2HG GLN 58 1.938 19.680 -33.899 449 1HE2 GLN 58 2HE2 GLN 58 3.985 19.427 -35.083 450 2HE2 GLN 58 1HE2 GLN 58 4.656 17.827 -35.334 451 H VAL 59 H VAL 59 1.977 19.084 -29.288 452 HA VAL 59 HA VAL 59 -0.543 17.911 -29.773 453 HB VAL 59 HB VAL 59 1.475 17.227 -28.179 454 1HG1 VAL 59 1HG1 VAL 59 -0.765 17.946 -26.188 455 2HG1 VAL 59 2HG1 VAL 59 0.658 16.960 -25.839 456 3HG1 VAL 59 3HG1 VAL 59 0.844 18.656 -26.203 457 1HG2 VAL 59 1HG2 VAL 59 -1.256 16.207 -28.108 458 2HG2 VAL 59 2HG2 VAL 59 0.115 15.790 -29.205 459 3HG2 VAL 59 3HG2 VAL 59 0.245 15.456 -27.471 460 H LEU 60 H LEU 60 0.287 20.820 -27.995 461 HA LEU 60 HA LEU 60 -2.395 21.248 -26.876 462 1HB LEU 60 1HB LEU 60 0.175 22.810 -27.168 463 2HB LEU 60 2HB LEU 60 -1.290 23.688 -26.804 464 HG LEU 60 HG LEU 60 0.358 22.972 -24.961 465 1HD1 LEU 60 1HD1 LEU 60 -2.694 22.653 -24.688 466 2HD1 LEU 60 2HD1 LEU 60 -1.604 22.931 -23.321 467 3HD1 LEU 60 3HD1 LEU 60 -1.800 24.182 -24.560 468 1HD2 LEU 60 1HD2 LEU 60 0.289 20.549 -25.331 469 2HD2 LEU 60 2HD2 LEU 60 -0.219 20.979 -23.699 470 3HD2 LEU 60 3HD2 LEU 60 -1.430 20.493 -24.902 471 H GLN 61 H GLN 61 -0.670 22.136 -29.886 472 HA GLN 61 HA GLN 61 -2.695 24.100 -30.630 473 1HB GLN 61 1HB GLN 61 -0.449 24.430 -31.463 474 2HB GLN 61 2HB GLN 61 -0.372 22.786 -32.110 475 1HG GLN 61 1HG GLN 61 -1.994 23.351 -33.877 476 2HG GLN 61 2HG GLN 61 -2.184 24.977 -33.198 477 1HE2 GLN 61 2HE2 GLN 61 -1.314 26.228 -34.855 478 2HE2 GLN 61 1HE2 GLN 61 0.306 26.011 -35.486 479 H GLN 62 H GLN 62 -2.042 20.730 -31.154 480 HA GLN 62 HA GLN 62 -3.902 20.233 -33.294 481 1HB GLN 62 1HB GLN 62 -1.865 18.980 -33.091 482 2HB GLN 62 2HB GLN 62 -2.228 18.546 -31.412 483 1HG GLN 62 1HG GLN 62 -2.501 16.645 -32.729 484 2HG GLN 62 2HG GLN 62 -4.100 17.131 -32.173 485 1HE2 GLN 62 2HE2 GLN 62 -5.504 18.311 -33.796 486 2HE2 GLN 62 1HE2 GLN 62 -5.257 17.978 -35.503 487 H THR 63 H THR 63 -3.984 19.944 -29.718 488 HA THR 63 HA THR 63 -6.495 18.491 -29.804 489 HB THR 63 HB THR 63 -4.783 18.078 -28.160 490 HG1 THR 63 HG1 THR 63 -7.026 17.571 -27.845 491 1HG2 THR 63 1HG2 THR 63 -4.305 20.547 -27.735 492 2HG2 THR 63 2HG2 THR 63 -5.748 20.526 -26.694 493 3HG2 THR 63 3HG2 THR 63 -4.350 19.523 -26.316 494 H LEU 64 H LEU 64 -5.542 21.873 -29.437 495 HA LEU 64 HA LEU 64 -8.152 22.724 -30.218 496 1HB LEU 64 1HB LEU 64 -9.215 23.473 -28.360 497 2HB LEU 64 2HB LEU 64 -8.447 22.081 -27.648 498 HG LEU 64 HG LEU 64 -7.378 24.938 -27.419 499 1HD1 LEU 64 1HD1 LEU 64 -9.049 23.294 -25.504 500 2HD1 LEU 64 2HD1 LEU 64 -8.311 24.878 -25.160 501 3HD1 LEU 64 3HD1 LEU 64 -9.576 24.740 -26.391 502 1HD2 LEU 64 1HD2 LEU 64 -5.667 23.099 -27.064 503 2HD2 LEU 64 2HD2 LEU 64 -6.002 24.067 -25.621 504 3HD2 LEU 64 3HD2 LEU 64 -6.717 22.451 -25.786 505 HA PRO 65 HA PRO 65 -5.740 26.331 -31.252 506 1HB PRO 65 1HB PRO 65 -7.521 28.407 -31.200 507 2HB PRO 65 2HB PRO 65 -7.470 27.154 -32.470 508 1HG PRO 65 1HG PRO 65 -9.293 27.265 -30.061 509 2HG PRO 65 2HG PRO 65 -9.729 26.921 -31.760 510 1HD PRO 65 1HD PRO 65 -9.360 24.948 -29.945 511 2HD PRO 65 2HD PRO 65 -8.828 24.732 -31.635 512 HA PRO 66 HA PRO 66 -5.197 27.593 -26.824 513 1HB PRO 66 1HB PRO 66 -2.629 27.330 -26.573 514 2HB PRO 66 2HB PRO 66 -3.627 25.939 -27.026 515 1HG PRO 66 1HG PRO 66 -1.895 27.558 -28.909 516 2HG PRO 66 2HG PRO 66 -2.112 25.797 -28.797 517 1HD PRO 66 1HD PRO 66 -3.559 27.642 -30.455 518 2HD PRO 66 2HD PRO 66 -3.915 25.924 -30.188 519 HA PRO 67 HA PRO 67 -4.360 31.972 -28.097 520 1HB PRO 67 1HB PRO 67 -5.917 33.257 -26.274 521 2HB PRO 67 2HB PRO 67 -6.599 32.488 -27.736 522 1HG PRO 67 1HG PRO 67 -6.473 31.329 -24.940 523 2HG PRO 67 2HG PRO 67 -7.880 31.405 -26.032 524 1HD PRO 67 1HD PRO 67 -6.344 29.170 -25.838 525 2HD PRO 67 2HD PRO 67 -7.042 29.694 -27.401 526 H VAL 68 H VAL 68 -4.458 30.459 -24.898 527 HA VAL 68 HA VAL 68 -2.888 32.250 -23.391 528 HB VAL 68 HB VAL 68 -3.273 29.221 -23.149 529 1HG1 VAL 68 1HG1 VAL 68 -1.758 31.143 -21.359 530 2HG1 VAL 68 2HG1 VAL 68 -2.302 29.522 -20.872 531 3HG1 VAL 68 3HG1 VAL 68 -1.129 29.684 -22.165 532 1HG2 VAL 68 1HG2 VAL 68 -4.348 31.652 -21.636 533 2HG2 VAL 68 2HG2 VAL 68 -5.273 30.648 -22.772 534 3HG2 VAL 68 3HG2 VAL 68 -4.702 29.962 -21.251 535 H PHE 69 H PHE 69 -1.940 29.430 -25.290 536 HA PHE 69 HA PHE 69 0.846 29.345 -24.973 537 1HB PHE 69 1HB PHE 69 -0.018 27.638 -26.235 538 2HB PHE 69 2HB PHE 69 -1.068 28.720 -27.129 539 HD1 PHE 69 HD1 PHE 69 -0.438 29.959 -29.033 540 HD2 PHE 69 HD2 PHE 69 2.279 27.203 -27.143 541 HE1 PHE 69 HE1 PHE 69 0.975 29.971 -31.080 542 HE2 PHE 69 HE2 PHE 69 3.692 27.221 -29.216 543 HZ PHE 69 HZ PHE 69 3.044 28.593 -31.158 544 H GLN 70 H GLN 70 -0.997 31.522 -27.083 545 HA GLN 70 HA GLN 70 1.287 32.755 -28.261 546 1HB GLN 70 1HB GLN 70 -0.157 33.917 -29.492 547 2HB GLN 70 2HB GLN 70 -1.361 32.838 -28.795 548 1HG GLN 70 1HG GLN 70 -1.621 34.708 -26.962 549 2HG GLN 70 2HG GLN 70 -0.725 35.723 -28.091 550 1HE2 GLN 70 2HE2 GLN 70 -3.715 35.379 -27.050 551 2HE2 GLN 70 1HE2 GLN 70 -4.622 35.588 -28.536 552 H MET 71 H MET 71 -0.332 33.349 -25.229 553 HA MET 71 HA MET 71 1.079 35.839 -24.650 554 1HB MET 71 1HB MET 71 -0.673 34.185 -22.783 555 2HB MET 71 2HB MET 71 -0.170 35.871 -22.623 556 1HG MET 71 1HG MET 71 -1.445 36.181 -24.927 557 2HG MET 71 2HG MET 71 -2.254 34.679 -24.468 558 1HE MET 71 1HE MET 71 -3.750 34.434 -22.291 559 2HE MET 71 2HE MET 71 -2.425 35.055 -21.269 560 3HE MET 71 3HE MET 71 -4.050 35.773 -21.159 561 H LEU 72 H LEU 72 1.327 32.345 -23.980 562 HA LEU 72 HA LEU 72 3.282 32.510 -21.943 563 1HB LEU 72 1HB LEU 72 2.564 30.350 -22.020 564 2HB LEU 72 2HB LEU 72 2.181 30.462 -23.718 565 HG LEU 72 HG LEU 72 4.604 30.162 -24.256 566 1HD1 LEU 72 1HD1 LEU 72 5.554 30.742 -21.966 567 2HD1 LEU 72 2HD1 LEU 72 4.740 29.304 -21.316 568 3HD1 LEU 72 3HD1 LEU 72 6.034 29.129 -22.513 569 1HD2 LEU 72 1HD2 LEU 72 3.121 28.003 -22.739 570 2HD2 LEU 72 2HD2 LEU 72 3.013 28.354 -24.476 571 3HD2 LEU 72 3HD2 LEU 72 4.517 27.713 -23.800 572 H LEU 73 H LEU 73 3.422 32.419 -25.424 573 HA LEU 73 HA LEU 73 6.310 32.594 -25.616 574 1HB LEU 73 1HB LEU 73 4.249 33.562 -27.628 575 2HB LEU 73 2HB LEU 73 5.953 33.240 -27.946 576 HG LEU 73 HG LEU 73 3.798 31.148 -27.426 577 1HD1 LEU 73 1HD1 LEU 73 3.713 32.343 -29.484 578 2HD1 LEU 73 2HD1 LEU 73 5.430 31.990 -29.792 579 3HD1 LEU 73 3HD1 LEU 73 4.233 30.660 -29.728 580 1HD2 LEU 73 1HD2 LEU 73 6.758 30.690 -27.841 581 2HD2 LEU 73 2HD2 LEU 73 5.826 30.321 -26.369 582 3HD2 LEU 73 3HD2 LEU 73 5.467 29.462 -27.867 583 H THR 74 H THR 74 3.946 34.981 -24.972 584 HA THR 74 HA THR 74 5.782 37.154 -25.737 585 HB THR 74 HB THR 74 3.263 37.108 -26.326 586 HG1 THR 74 HG1 THR 74 3.510 39.343 -26.533 587 1HG2 THR 74 1HG2 THR 74 2.634 37.221 -23.817 588 2HG2 THR 74 2HG2 THR 74 3.343 38.842 -23.827 589 3HG2 THR 74 3HG2 THR 74 1.945 38.472 -24.874 590 H LYS 75 H LYS 75 4.802 35.312 -22.985 591 HA LYS 75 HA LYS 75 5.571 37.314 -21.039 592 1HB LYS 75 1HB LYS 75 4.055 35.044 -20.936 593 2HB LYS 75 2HB LYS 75 5.618 34.371 -20.472 594 1HG LYS 75 1HG LYS 75 4.436 34.844 -18.573 595 2HG LYS 75 2HG LYS 75 5.773 36.019 -18.703 596 1HD LYS 75 1HD LYS 75 3.651 36.959 -17.770 597 2HD LYS 75 2HD LYS 75 4.193 37.808 -19.221 598 1HE LYS 75 1HE LYS 75 2.491 36.666 -20.576 599 2HE LYS 75 2HE LYS 75 2.061 35.619 -19.200 600 1HZ LYS 75 1HZ LYS 75 1.315 37.547 -18.035 601 2HZ LYS 75 2HZ LYS 75 1.704 38.527 -19.301 602 3HZ LYS 75 3HZ LYS 75 0.520 37.388 -19.466 603 H LEU 76 H LEU 76 7.217 34.738 -22.818 604 HA LEU 76 HA LEU 76 9.465 34.509 -21.086 605 1HB LEU 76 1HB LEU 76 9.206 33.677 -23.987 606 2HB LEU 76 2HB LEU 76 10.531 33.239 -22.928 607 HG LEU 76 HG LEU 76 7.654 32.426 -22.266 608 1HD1 LEU 76 1HD1 LEU 76 8.146 31.722 -24.567 609 2HD1 LEU 76 2HD1 LEU 76 9.637 30.942 -24.006 610 3HD1 LEU 76 3HD1 LEU 76 8.050 30.358 -23.449 611 1HD2 LEU 76 1HD2 LEU 76 10.345 31.196 -21.590 612 2HD2 LEU 76 2HD2 LEU 76 9.353 32.175 -20.481 613 3HD2 LEU 76 3HD2 LEU 76 8.743 30.621 -21.084 614 HA PRO 77 HA PRO 77 12.060 37.377 -23.725 615 1HB PRO 77 1HB PRO 77 11.129 38.787 -25.826 616 2HB PRO 77 2HB PRO 77 11.503 37.040 -25.934 617 1HG PRO 77 1HG PRO 77 8.818 38.383 -25.631 618 2HG PRO 77 2HG PRO 77 9.247 36.996 -26.662 619 1HD PRO 77 1HD PRO 77 8.111 36.863 -24.074 620 2HD PRO 77 2HD PRO 77 8.948 35.519 -24.891 621 H THR 78 H THR 78 12.457 38.850 -22.242 622 HA THR 78 HA THR 78 10.633 41.173 -21.772 623 HB THR 78 HB THR 78 12.338 39.524 -19.858 624 HG1 THR 78 HG1 THR 78 10.321 39.192 -18.934 625 1HG2 THR 78 1HG2 THR 78 10.894 42.150 -19.360 626 2HG2 THR 78 2HG2 THR 78 11.563 41.073 -18.108 627 3HG2 THR 78 3HG2 THR 78 12.650 41.868 -19.255 628 H ILE 79 H ILE 79 14.030 40.006 -21.725 629 HA ILE 79 HA ILE 79 15.135 42.642 -21.585 630 HB ILE 79 HB ILE 79 16.456 40.008 -22.446 631 1HG1 ILE 79 1HG1 ILE 79 17.601 40.164 -20.250 632 2HG1 ILE 79 2HG1 ILE 79 16.528 41.491 -19.779 633 1HG2 ILE 79 1HG2 ILE 79 17.693 42.708 -21.795 634 2HG2 ILE 79 2HG2 ILE 79 18.591 41.198 -22.034 635 3HG2 ILE 79 3HG2 ILE 79 17.703 41.900 -23.378 636 1HD1 ILE 79 1HD1 ILE 79 15.495 38.753 -20.651 637 2HD1 ILE 79 2HD1 ILE 79 15.980 39.099 -18.978 638 3HD1 ILE 79 3HD1 ILE 79 14.648 40.004 -19.697 639 H SER 80 H SER 80 14.819 40.350 -24.237 640 HA SER 80 HA SER 80 15.840 41.923 -26.324 641 1HB SER 80 1HB SER 80 14.233 40.509 -27.765 642 2HB SER 80 2HB SER 80 15.421 39.645 -26.768 643 HG SER 80 HG SER 80 13.305 38.781 -26.552 644 H GLN 81 H GLN 81 12.492 41.628 -25.193 645 HA GLN 81 HA GLN 81 11.241 43.493 -26.831 646 1HB GLN 81 1HB GLN 81 10.231 41.815 -25.251 647 2HB GLN 81 2HB GLN 81 10.591 42.908 -23.913 648 1HG GLN 81 1HG GLN 81 8.770 43.468 -26.295 649 2HG GLN 81 2HG GLN 81 8.239 43.003 -24.673 650 1HE2 GLN 81 2HE2 GLN 81 8.194 45.595 -26.568 651 2HE2 GLN 81 1HE2 GLN 81 8.609 46.876 -25.446 652 H ARG 82 H ARG 82 12.915 43.977 -23.754 653 HA ARG 82 HA ARG 82 12.365 46.772 -23.567 654 1HB ARG 82 1HB ARG 82 13.016 45.370 -21.667 655 2HB ARG 82 2HB ARG 82 14.689 45.320 -22.267 656 1HG ARG 82 1HG ARG 82 14.864 47.762 -22.068 657 2HG ARG 82 2HG ARG 82 13.172 47.864 -21.548 658 1HD ARG 82 1HD ARG 82 15.411 46.379 -20.118 659 2HD ARG 82 2HD ARG 82 14.745 47.955 -19.634 660 HE ARG 82 HE ARG 82 12.526 46.353 -19.734 661 1HH1 ARG 82 1HH1 ARG 82 15.592 46.155 -17.979 662 2HH1 ARG 82 2HH1 ARG 82 14.960 45.154 -16.701 663 1HH2 ARG 82 1HH2 ARG 82 11.678 45.051 -18.059 664 2HH2 ARG 82 2HH2 ARG 82 12.694 44.518 -16.751 665 H ILE 83 H ILE 83 15.213 45.056 -25.077 666 HA ILE 83 HA ILE 83 16.690 47.441 -25.467 667 HB ILE 83 HB ILE 83 16.686 45.114 -27.464 668 1HG1 ILE 83 1HG1 ILE 83 16.860 43.901 -25.674 669 2HG1 ILE 83 2HG1 ILE 83 18.516 44.136 -26.252 670 1HG2 ILE 83 1HG2 ILE 83 18.005 47.058 -28.162 671 2HG2 ILE 83 2HG2 ILE 83 18.919 47.004 -26.640 672 3HG2 ILE 83 3HG2 ILE 83 19.039 45.682 -27.814 673 1HD1 ILE 83 1HD1 ILE 83 18.857 45.811 -24.429 674 2HD1 ILE 83 2HD1 ILE 83 17.241 45.390 -23.790 675 3HD1 ILE 83 3HD1 ILE 83 18.514 44.160 -23.853 676 H VAL 84 H VAL 84 14.429 45.678 -27.541 677 HA VAL 84 HA VAL 84 14.435 47.481 -29.737 678 HB VAL 84 HB VAL 84 12.157 45.725 -28.703 679 1HG1 VAL 84 1HG1 VAL 84 12.491 47.071 -31.416 680 2HG1 VAL 84 2HG1 VAL 84 11.277 45.831 -31.039 681 3HG1 VAL 84 3HG1 VAL 84 11.215 47.392 -30.220 682 1HG2 VAL 84 1HG2 VAL 84 14.211 44.428 -29.337 683 2HG2 VAL 84 2HG2 VAL 84 12.857 44.111 -30.421 684 3HG2 VAL 84 3HG2 VAL 84 14.169 45.185 -30.937 685 H SER 85 H SER 85 12.622 47.678 -26.750 686 HA SER 85 HA SER 85 11.143 50.022 -27.535 687 1HB SER 85 1HB SER 85 11.642 48.880 -24.767 688 2HB SER 85 2HB SER 85 10.399 50.063 -25.219 689 HG SER 85 HG SER 85 10.620 47.373 -26.100 690 H ALA 86 H ALA 86 13.787 50.524 -28.105 691 HA ALA 86 HA ALA 86 14.281 53.049 -26.991 692 1HB ALA 86 1HB ALA 86 16.098 50.799 -25.928 693 2HB ALA 86 2HB ALA 86 16.476 52.529 -25.814 694 3HB ALA 86 3HB ALA 86 15.090 51.874 -24.936 695 H GLN 87 H GLN 87 15.750 50.143 -28.385 696 HA GLN 87 HA GLN 87 17.595 51.535 -30.094 697 1HB GLN 87 1HB GLN 87 17.849 49.158 -29.116 698 2HB GLN 87 2HB GLN 87 16.676 48.626 -30.321 699 1HG GLN 87 1HG GLN 87 18.856 48.221 -31.191 700 2HG GLN 87 2HG GLN 87 18.196 49.588 -32.100 701 1HE2 GLN 87 2HE2 GLN 87 20.403 50.147 -32.664 702 2HE2 GLN 87 1HE2 GLN 87 21.482 50.905 -31.506 703 H SER 88 H SER 88 15.606 52.898 -30.636 704 HA SER 88 HA SER 88 14.688 52.616 -33.296 705 1HB SER 88 1HB SER 88 12.211 52.433 -32.648 706 2HB SER 88 2HB SER 88 13.127 50.923 -32.542 707 HG SER 88 HG SER 88 13.002 50.973 -30.404 708 H LEU 89 H LEU 89 14.039 53.787 -29.980 709 HA LEU 89 HA LEU 89 13.482 56.523 -30.984 710 1HB LEU 89 1HB LEU 89 12.327 56.907 -28.961 711 2HB LEU 89 2HB LEU 89 11.760 55.355 -29.614 712 HG LEU 89 HG LEU 89 13.893 54.951 -27.707 713 1HD1 LEU 89 1HD1 LEU 89 11.485 56.510 -26.699 714 2HD1 LEU 89 2HD1 LEU 89 12.703 55.709 -25.684 715 3HD1 LEU 89 3HD1 LEU 89 13.169 57.074 -26.712 716 1HD2 LEU 89 1HD2 LEU 89 10.897 54.269 -27.758 717 2HD2 LEU 89 2HD2 LEU 89 12.203 53.240 -28.381 718 3HD2 LEU 89 3HD2 LEU 89 12.062 53.563 -26.636 719 H GLY 90 H GLY 90 16.102 55.588 -31.086 720 1HA GLY 90 1HA GLY 90 17.438 57.655 -29.518 721 2HA GLY 90 2HA GLY 90 17.854 55.995 -29.034 722 H GLU 91 H GLU 91 19.751 57.725 -30.009 723 HA GLU 91 HA GLU 91 20.247 57.162 -32.844 724 1HB GLU 91 1HB GLU 91 20.695 59.390 -31.768 725 2HB GLU 91 2HB GLU 91 22.009 58.646 -30.840 726 1HG GLU 91 1HG GLU 91 23.227 58.173 -32.909 727 2HG GLU 91 2HG GLU 91 21.830 58.685 -33.883 728 H ASP 92 H ASP 92 22.273 55.966 -33.527 729 HA ASP 92 HA ASP 92 23.400 54.157 -31.471 730 1HB ASP 92 1HB ASP 92 21.523 53.082 -32.737 731 2HB ASP 92 2HB ASP 92 22.401 53.374 -34.245 732 H ASP 93 H ASP 93 25.711 53.761 -31.872 733 HA ASP 93 HA ASP 93 26.931 55.602 -33.770 734 1HB ASP 93 1HB ASP 93 28.128 53.706 -31.715 735 2HB ASP 93 2HB ASP 93 29.033 54.879 -32.680 736 H VAL 94 H VAL 94 28.620 54.886 -35.321 737 HA VAL 94 HA VAL 94 28.719 52.047 -36.060 738 HB VAL 94 HB VAL 94 27.938 54.297 -37.980 739 1HG1 VAL 94 1HG1 VAL 94 28.531 51.348 -38.481 740 2HG1 VAL 94 2HG1 VAL 94 27.792 52.442 -39.666 741 3HG1 VAL 94 3HG1 VAL 94 29.438 52.740 -39.115 742 1HG2 VAL 94 1HG2 VAL 94 26.374 51.858 -37.026 743 2HG2 VAL 94 2HG2 VAL 94 25.965 53.565 -36.733 744 3HG2 VAL 94 3HG2 VAL 94 25.889 52.913 -38.370 745 H GLU 95 H GLU 95 30.691 51.549 -37.016 746 HA GLU 95 HA GLU 95 32.802 53.648 -36.941 747 1HB GLU 95 1HB GLU 95 32.947 51.646 -35.388 748 2HB GLU 95 2HB GLU 95 33.029 50.613 -36.821 749 1HG GLU 95 1HG GLU 95 35.265 50.961 -36.017 750 2HG GLU 95 2HG GLU 95 35.105 51.860 -37.530 751 1H GLY 1 1H GLY 1 -8.024 22.736 -21.871 752 2H GLY 1 2H GLY 1 -7.881 23.721 -23.205 753 3H GLY 1 3H GLY 1 -8.278 24.351 -21.723 754 1HA GLY 1 1HA GLY 1 -10.274 24.274 -22.958 755 2HA GLY 1 2HA GLY 1 -9.896 22.582 -23.363 756 HA PRO 2 HA PRO 2 -12.418 22.437 -19.463 757 1HB PRO 2 1HB PRO 2 -14.227 20.546 -20.155 758 2HB PRO 2 2HB PRO 2 -14.346 22.221 -20.743 759 1HG PRO 2 1HG PRO 2 -13.163 19.857 -22.219 760 2HG PRO 2 2HG PRO 2 -14.372 21.026 -22.817 761 1HD PRO 2 1HD PRO 2 -11.690 21.267 -23.323 762 2HD PRO 2 2HD PRO 2 -12.733 22.704 -23.109 763 H ARG 3 H ARG 3 -10.931 19.986 -21.543 764 HA ARG 3 HA ARG 3 -9.295 18.894 -19.534 765 1HB ARG 3 1HB ARG 3 -10.117 16.564 -19.574 766 2HB ARG 3 2HB ARG 3 -11.045 17.677 -18.597 767 1HG ARG 3 1HG ARG 3 -12.048 17.295 -21.406 768 2HG ARG 3 2HG ARG 3 -12.092 15.857 -20.383 769 1HD ARG 3 1HD ARG 3 -13.351 18.530 -19.734 770 2HD ARG 3 2HD ARG 3 -14.217 17.084 -20.276 771 HE ARG 3 HE ARG 3 -12.903 16.170 -18.079 772 1HH1 ARG 3 1HH1 ARG 3 -14.984 19.006 -18.535 773 2HH1 ARG 3 2HH1 ARG 3 -15.440 19.107 -16.858 774 1HH2 ARG 3 1HH2 ARG 3 -13.550 16.266 -15.893 775 2HH2 ARG 3 2HH2 ARG 3 -14.620 17.522 -15.342 776 H LEU 4 H LEU 4 -8.086 19.810 -21.395 777 HA LEU 4 HA LEU 4 -8.131 18.540 -23.948 778 1HB LEU 4 1HB LEU 4 -6.228 19.788 -24.483 779 2HB LEU 4 2HB LEU 4 -7.224 20.792 -23.443 780 HG LEU 4 HG LEU 4 -5.576 19.883 -21.531 781 1HD1 LEU 4 1HD1 LEU 4 -3.885 19.669 -24.047 782 2HD1 LEU 4 2HD1 LEU 4 -3.250 19.739 -22.411 783 3HD1 LEU 4 3HD1 LEU 4 -4.202 18.341 -22.902 784 1HD2 LEU 4 1HD2 LEU 4 -4.742 21.957 -23.606 785 2HD2 LEU 4 2HD2 LEU 4 -5.807 22.268 -22.227 786 3HD2 LEU 4 3HD2 LEU 4 -4.117 21.839 -21.946 787 H SER 5 H SER 5 -6.998 17.423 -20.906 788 HA SER 5 HA SER 5 -4.796 15.941 -21.479 789 1HB SER 5 1HB SER 5 -5.575 14.483 -19.528 790 2HB SER 5 2HB SER 5 -5.374 16.218 -19.252 791 HG SER 5 HG SER 5 -7.837 14.915 -19.836 792 H ARG 6 H ARG 6 -7.812 15.300 -22.922 793 HA ARG 6 HA ARG 6 -7.984 12.547 -23.160 794 1HB ARG 6 1HB ARG 6 -9.526 14.276 -24.163 795 2HB ARG 6 2HB ARG 6 -8.297 14.601 -25.391 796 1HG ARG 6 1HG ARG 6 -8.469 12.034 -25.941 797 2HG ARG 6 2HG ARG 6 -9.912 12.064 -24.923 798 1HD ARG 6 1HD ARG 6 -10.577 12.292 -27.215 799 2HD ARG 6 2HD ARG 6 -10.852 13.862 -26.429 800 HE ARG 6 HE ARG 6 -8.254 13.914 -27.521 801 1HH1 ARG 6 1HH1 ARG 6 -11.571 13.661 -28.734 802 2HH1 ARG 6 2HH1 ARG 6 -11.200 14.334 -30.297 803 1HH2 ARG 6 1HH2 ARG 6 -7.759 14.807 -29.579 804 2HH2 ARG 6 2HH2 ARG 6 -9.013 15.035 -30.762 805 H LEU 7 H LEU 7 -5.860 14.823 -24.979 806 HA LEU 7 HA LEU 7 -4.624 12.935 -26.723 807 1HB LEU 7 1HB LEU 7 -2.875 14.528 -27.028 808 2HB LEU 7 2HB LEU 7 -4.449 15.319 -27.078 809 HG LEU 7 HG LEU 7 -3.880 15.720 -24.469 810 1HD1 LEU 7 1HD1 LEU 7 -1.196 15.689 -25.929 811 2HD1 LEU 7 2HD1 LEU 7 -1.406 16.457 -24.372 812 3HD1 LEU 7 3HD1 LEU 7 -1.594 14.708 -24.569 813 1HD2 LEU 7 1HD2 LEU 7 -2.978 17.432 -26.762 814 2HD2 LEU 7 2HD2 LEU 7 -4.492 17.484 -25.804 815 3HD2 LEU 7 3HD2 LEU 7 -2.946 17.940 -25.066 816 H LEU 8 H LEU 8 -3.711 13.860 -23.378 817 HA LEU 8 HA LEU 8 -1.257 12.466 -23.469 818 1HB LEU 8 1HB LEU 8 -2.898 13.199 -21.119 819 2HB LEU 8 2HB LEU 8 -1.285 12.491 -21.013 820 HG LEU 8 HG LEU 8 -0.930 14.731 -20.621 821 1HD1 LEU 8 1HD1 LEU 8 0.042 14.324 -23.442 822 2HD1 LEU 8 2HD1 LEU 8 0.431 15.681 -22.404 823 3HD1 LEU 8 3HD1 LEU 8 0.851 14.039 -21.916 824 1HD2 LEU 8 1HD2 LEU 8 -2.934 15.374 -22.692 825 2HD2 LEU 8 2HD2 LEU 8 -2.773 15.860 -21.033 826 3HD2 LEU 8 3HD2 LEU 8 -1.734 16.561 -22.265 827 H SER 9 H SER 9 -4.376 11.078 -23.467 828 HA SER 9 HA SER 9 -3.777 8.633 -22.084 829 1HB SER 9 1HB SER 9 -6.060 9.545 -22.733 830 2HB SER 9 2HB SER 9 -5.704 9.070 -24.406 831 HG SER 9 HG SER 9 -6.849 7.455 -23.257 832 H TYR 10 H TYR 10 -2.703 9.989 -25.084 833 HA TYR 10 HA TYR 10 -2.235 7.670 -26.652 834 1HB TYR 10 1HB TYR 10 -1.101 9.174 -28.091 835 2HB TYR 10 2HB TYR 10 -2.512 10.008 -27.468 836 HD1 TYR 10 HD1 TYR 10 -0.425 10.462 -24.684 837 HD2 TYR 10 HD2 TYR 10 -0.615 11.601 -28.862 838 HE1 TYR 10 HE1 TYR 10 0.970 12.324 -24.211 839 HE2 TYR 10 HE2 TYR 10 0.805 13.499 -28.361 840 HH TYR 10 HH TYR 10 2.057 14.629 -26.745 841 H ALA 11 H ALA 11 -0.663 8.495 -23.761 842 HA ALA 11 HA ALA 11 1.692 6.868 -24.442 843 1HB ALA 11 1HB ALA 11 2.270 9.204 -25.143 844 2HB ALA 11 2HB ALA 11 1.863 9.780 -23.520 845 3HB ALA 11 3HB ALA 11 3.235 8.676 -23.752 Start of MODEL 10 1 1H ARG 1 1H ARG 1 10.060 10.160 10.222 2 2H ARG 1 2H ARG 1 8.995 10.040 11.471 3 3H ARG 1 3H ARG 1 10.229 8.945 11.322 4 HA ARG 1 HA ARG 1 9.319 8.082 9.321 5 1HB ARG 1 1HB ARG 1 7.240 8.204 11.560 6 2HB ARG 1 2HB ARG 1 7.223 7.126 10.165 7 1HG ARG 1 1HG ARG 1 8.145 5.702 11.634 8 2HG ARG 1 2HG ARG 1 9.643 6.421 11.035 9 1HD ARG 1 1HD ARG 1 9.651 7.928 13.066 10 2HD ARG 1 2HD ARG 1 8.118 7.187 13.574 11 HE ARG 1 HE ARG 1 10.027 5.134 13.154 12 1HH1 ARG 1 1HH1 ARG 1 9.363 7.777 15.420 13 2HH1 ARG 1 2HH1 ARG 1 10.157 7.007 16.763 14 1HH2 ARG 1 1HH2 ARG 1 11.066 4.111 14.929 15 2HH2 ARG 1 2HH2 ARG 1 11.131 4.897 16.479 16 H ALA 2 H ALA 2 9.109 9.566 7.616 17 HA ALA 2 HA ALA 2 6.447 10.370 6.939 18 1HB ALA 2 1HB ALA 2 8.510 12.549 7.543 19 2HB ALA 2 2HB ALA 2 6.943 12.806 6.748 20 3HB ALA 2 3HB ALA 2 6.999 12.279 8.438 21 H GLY 3 H GLY 3 6.555 11.451 4.687 22 1HA GLY 3 1HA GLY 3 8.752 11.741 3.072 23 2HA GLY 3 2HA GLY 3 8.463 9.991 3.050 24 H LEU 4 H LEU 4 6.943 13.165 2.427 25 HA LEU 4 HA LEU 4 5.487 12.044 0.182 26 1HB LEU 4 1HB LEU 4 3.883 11.609 1.878 27 2HB LEU 4 2HB LEU 4 4.161 13.134 2.702 28 HG LEU 4 HG LEU 4 2.797 13.122 -0.048 29 1HD1 LEU 4 1HD1 LEU 4 1.551 12.707 2.683 30 2HD1 LEU 4 2HD1 LEU 4 0.682 13.003 1.159 31 3HD1 LEU 4 3HD1 LEU 4 1.623 11.517 1.363 32 1HD2 LEU 4 1HD2 LEU 4 2.712 14.986 2.372 33 2HD2 LEU 4 2HD2 LEU 4 3.460 15.356 0.806 34 3HD2 LEU 4 3HD2 LEU 4 1.718 15.137 0.912 35 H SER 5 H SER 5 5.358 13.570 -1.430 36 HA SER 5 HA SER 5 5.162 16.297 -1.200 37 1HB SER 5 1HB SER 5 7.540 16.914 -1.984 38 2HB SER 5 2HB SER 5 7.418 16.462 -0.286 39 HG SER 5 HG SER 5 8.099 14.355 -0.889 40 H LYS 6 H LYS 6 5.640 17.334 -3.378 41 HA LYS 6 HA LYS 6 4.867 15.467 -5.551 42 1HB LYS 6 1HB LYS 6 5.086 18.505 -5.640 43 2HB LYS 6 2HB LYS 6 4.181 17.448 -6.730 44 1HG LYS 6 1HG LYS 6 2.593 16.941 -4.776 45 2HG LYS 6 2HG LYS 6 3.549 18.058 -3.796 46 1HD LYS 6 1HD LYS 6 1.945 19.488 -4.373 47 2HD LYS 6 2HD LYS 6 3.038 19.801 -5.717 48 1HE LYS 6 1HE LYS 6 0.561 17.981 -5.735 49 2HE LYS 6 2HE LYS 6 0.662 19.619 -6.397 50 1HZ LYS 6 1HZ LYS 6 2.326 18.802 -7.943 51 2HZ LYS 6 2HZ LYS 6 2.077 17.257 -7.396 52 3HZ LYS 6 3HZ LYS 6 0.853 18.096 -8.099 53 H LEU 7 H LEU 7 6.135 15.606 -7.655 54 HA LEU 7 HA LEU 7 8.020 15.438 -8.768 55 1HB LEU 7 1HB LEU 7 8.642 18.046 -7.341 56 2HB LEU 7 2HB LEU 7 9.624 17.383 -8.643 57 HG LEU 7 HG LEU 7 6.684 18.148 -8.942 58 1HD1 LEU 7 1HD1 LEU 7 8.121 20.090 -8.489 59 2HD1 LEU 7 2HD1 LEU 7 9.220 19.596 -9.795 60 3HD1 LEU 7 3HD1 LEU 7 7.554 20.087 -10.167 61 1HD2 LEU 7 1HD2 LEU 7 8.834 17.323 -10.979 62 2HD2 LEU 7 2HD2 LEU 7 7.319 16.449 -10.642 63 3HD2 LEU 7 3HD2 LEU 7 7.291 18.039 -11.387 64 HA PRO 8 HA PRO 8 10.545 13.422 -5.596 65 1HB PRO 8 1HB PRO 8 10.514 10.890 -6.566 66 2HB PRO 8 2HB PRO 8 9.069 11.630 -5.852 67 1HG PRO 8 1HG PRO 8 9.755 11.475 -8.798 68 2HG PRO 8 2HG PRO 8 8.253 10.936 -7.994 69 1HD PRO 8 1HD PRO 8 8.552 13.412 -9.171 70 2HD PRO 8 2HD PRO 8 7.488 13.178 -7.763 71 H ASP 9 H ASP 9 12.331 11.400 -6.904 72 HA ASP 9 HA ASP 9 14.401 13.156 -7.708 73 1HB ASP 9 1HB ASP 9 14.441 10.655 -6.767 74 2HB ASP 9 2HB ASP 9 14.463 10.233 -8.481 75 H LEU 10 H LEU 10 11.778 12.022 -9.537 76 HA LEU 10 HA LEU 10 11.090 12.267 -11.600 77 1HB LEU 10 1HB LEU 10 13.631 13.722 -12.410 78 2HB LEU 10 2HB LEU 10 12.036 13.818 -13.154 79 HG LEU 10 HG LEU 10 12.798 14.891 -10.395 80 1HD1 LEU 10 1HD1 LEU 10 12.137 16.225 -13.031 81 2HD1 LEU 10 2HD1 LEU 10 12.440 17.054 -11.478 82 3HD1 LEU 10 3HD1 LEU 10 13.740 16.117 -12.258 83 1HD2 LEU 10 1HD2 LEU 10 10.393 14.143 -10.473 84 2HD2 LEU 10 2HD2 LEU 10 10.582 15.891 -10.336 85 3HD2 LEU 10 3HD2 LEU 10 10.156 15.172 -11.904 86 H LYS 11 H LYS 11 13.729 10.588 -10.901 87 HA LYS 11 HA LYS 11 14.444 9.349 -13.384 88 1HB LYS 11 1HB LYS 11 14.292 8.163 -10.565 89 2HB LYS 11 2HB LYS 11 15.165 7.420 -11.910 90 1HG LYS 11 1HG LYS 11 15.824 10.204 -10.856 91 2HG LYS 11 2HG LYS 11 16.490 8.727 -10.150 92 1HD LYS 11 1HD LYS 11 17.754 8.190 -12.059 93 2HD LYS 11 2HD LYS 11 16.818 9.257 -13.115 94 1HE LYS 11 1HE LYS 11 19.048 10.196 -12.581 95 2HE LYS 11 2HE LYS 11 17.716 11.250 -12.069 96 1HZ LYS 11 1HZ LYS 11 19.195 9.432 -10.285 97 2HZ LYS 11 2HZ LYS 11 19.431 11.061 -10.405 98 3HZ LYS 11 3HZ LYS 11 18.011 10.477 -9.836 99 H ASP 12 H ASP 12 11.769 8.957 -11.090 100 HA ASP 12 HA ASP 12 10.610 6.642 -12.386 101 1HB ASP 12 1HB ASP 12 9.217 8.614 -10.566 102 2HB ASP 12 2HB ASP 12 8.864 6.894 -10.827 103 H ALA 13 H ALA 13 9.153 6.740 -13.960 104 HA ALA 13 HA ALA 13 8.615 9.308 -15.314 105 1HB ALA 13 1HB ALA 13 9.519 7.412 -16.632 106 2HB ALA 13 2HB ALA 13 8.085 6.442 -16.228 107 3HB ALA 13 3HB ALA 13 7.918 7.910 -17.214 108 H GLU 14 H GLU 14 6.837 6.645 -13.896 109 HA GLU 14 HA GLU 14 4.221 7.423 -14.616 110 1HB GLU 14 1HB GLU 14 4.913 5.251 -13.422 111 2HB GLU 14 2HB GLU 14 4.929 6.187 -11.920 112 1HG GLU 14 1HG GLU 14 2.477 6.863 -12.606 113 2HG GLU 14 2HG GLU 14 2.597 5.514 -13.737 114 H ALA 15 H ALA 15 6.144 8.324 -11.782 115 HA ALA 15 HA ALA 15 4.234 9.972 -10.442 116 1HB ALA 15 1HB ALA 15 6.322 9.132 -9.369 117 2HB ALA 15 2HB ALA 15 7.275 10.199 -10.432 118 3HB ALA 15 3HB ALA 15 6.162 10.897 -9.243 119 H VAL 16 H VAL 16 6.457 10.539 -13.052 120 HA VAL 16 HA VAL 16 6.133 13.471 -13.010 121 HB VAL 16 HB VAL 16 8.013 11.588 -14.248 122 1HG1 VAL 16 1HG1 VAL 16 7.350 14.078 -15.778 123 2HG1 VAL 16 2HG1 VAL 16 8.749 12.999 -16.014 124 3HG1 VAL 16 3HG1 VAL 16 7.123 12.389 -16.336 125 1HG2 VAL 16 1HG2 VAL 16 8.570 12.878 -12.379 126 2HG2 VAL 16 2HG2 VAL 16 9.600 13.175 -13.797 127 3HG2 VAL 16 3HG2 VAL 16 8.344 14.371 -13.353 128 H GLN 17 H GLN 17 4.827 10.629 -14.684 129 HA GLN 17 HA GLN 17 3.606 12.209 -16.781 130 1HB GLN 17 1HB GLN 17 3.923 9.820 -17.128 131 2HB GLN 17 2HB GLN 17 2.782 9.446 -15.805 132 1HG GLN 17 1HG GLN 17 0.944 10.394 -16.986 133 2HG GLN 17 2HG GLN 17 1.993 11.192 -18.165 134 1HE2 GLN 17 2HE2 GLN 17 2.982 9.955 -19.854 135 2HE2 GLN 17 1HE2 GLN 17 2.281 8.433 -20.339 136 H LYS 18 H LYS 18 2.574 10.854 -13.658 137 HA LYS 18 HA LYS 18 -0.099 11.958 -13.786 138 1HB LYS 18 1HB LYS 18 1.602 11.191 -11.353 139 2HB LYS 18 2HB LYS 18 -0.134 11.520 -11.324 140 1HG LYS 18 1HG LYS 18 -0.544 9.525 -12.785 141 2HG LYS 18 2HG LYS 18 1.162 9.135 -12.790 142 1HD LYS 18 1HD LYS 18 -0.615 9.181 -10.335 143 2HD LYS 18 2HD LYS 18 -0.157 7.769 -11.295 144 1HE LYS 18 1HE LYS 18 2.306 8.355 -10.757 145 2HE LYS 18 2HE LYS 18 1.649 9.458 -9.529 146 1HZ LYS 18 1HZ LYS 18 0.480 7.504 -8.632 147 2HZ LYS 18 2HZ LYS 18 1.283 6.558 -9.725 148 3HZ LYS 18 3HZ LYS 18 2.128 7.371 -8.584 149 H PHE 19 H PHE 19 2.908 13.274 -12.355 150 HA PHE 19 HA PHE 19 1.620 15.684 -11.459 151 1HB PHE 19 1HB PHE 19 3.735 15.257 -10.470 152 2HB PHE 19 2HB PHE 19 4.480 14.861 -12.017 153 HD1 PHE 19 HD1 PHE 19 5.067 16.542 -13.676 154 HD2 PHE 19 HD2 PHE 19 3.682 17.666 -9.758 155 HE1 PHE 19 HE1 PHE 19 5.884 18.864 -14.027 156 HE2 PHE 19 HE2 PHE 19 4.536 19.965 -10.125 157 HZ PHE 19 HZ PHE 19 5.658 20.523 -12.377 158 H PHE 20 H PHE 20 3.335 14.888 -14.473 159 HA PHE 20 HA PHE 20 3.386 17.421 -15.667 160 1HB PHE 20 1HB PHE 20 4.643 15.637 -16.559 161 2HB PHE 20 2HB PHE 20 3.201 14.643 -16.857 162 HD1 PHE 20 HD1 PHE 20 4.239 18.116 -17.822 163 HD2 PHE 20 HD2 PHE 20 3.107 14.162 -19.103 164 HE1 PHE 20 HE1 PHE 20 4.396 18.832 -20.193 165 HE2 PHE 20 HE2 PHE 20 3.271 14.879 -21.466 166 HZ PHE 20 HZ PHE 20 3.927 17.197 -22.015 167 H LEU 21 H LEU 21 0.918 14.822 -15.843 168 HA LEU 21 HA LEU 21 -1.011 16.404 -17.302 169 1HB LEU 21 1HB LEU 21 -0.863 13.700 -15.937 170 2HB LEU 21 2HB LEU 21 -2.452 14.403 -15.962 171 HG LEU 21 HG LEU 21 -0.884 13.971 -18.578 172 1HD1 LEU 21 1HD1 LEU 21 -2.855 12.178 -17.114 173 2HD1 LEU 21 2HD1 LEU 21 -2.260 11.945 -18.774 174 3HD1 LEU 21 3HD1 LEU 21 -1.137 11.854 -17.413 175 1HD2 LEU 21 1HD2 LEU 21 -3.751 14.708 -17.786 176 2HD2 LEU 21 2HD2 LEU 21 -2.612 15.643 -18.777 177 3HD2 LEU 21 3HD2 LEU 21 -3.314 14.144 -19.376 178 H GLU 22 H GLU 22 -0.499 15.839 -13.823 179 HA GLU 22 HA GLU 22 -2.900 17.060 -12.966 180 1HB GLU 22 1HB GLU 22 -1.213 15.942 -11.438 181 2HB GLU 22 2HB GLU 22 -0.160 17.348 -11.667 182 1HG GLU 22 1HG GLU 22 -2.155 18.749 -10.758 183 2HG GLU 22 2HG GLU 22 -2.792 17.193 -10.208 184 H GLU 23 H GLU 23 0.157 18.448 -14.139 185 HA GLU 23 HA GLU 23 -0.557 21.178 -13.491 186 1HB GLU 23 1HB GLU 23 1.752 20.187 -13.443 187 2HB GLU 23 2HB GLU 23 1.771 20.243 -15.215 188 1HG GLU 23 1HG GLU 23 1.579 22.601 -15.213 189 2HG GLU 23 2HG GLU 23 1.064 22.668 -13.515 190 H ILE 24 H ILE 24 -0.382 19.203 -16.426 191 HA ILE 24 HA ILE 24 -1.166 21.223 -18.321 192 HB ILE 24 HB ILE 24 -0.972 18.236 -18.353 193 1HG1 ILE 24 1HG1 ILE 24 -0.170 20.376 -20.307 194 2HG1 ILE 24 2HG1 ILE 24 0.765 19.053 -19.589 195 1HG2 ILE 24 1HG2 ILE 24 -3.343 18.247 -18.805 196 2HG2 ILE 24 2HG2 ILE 24 -3.027 19.266 -20.234 197 3HG2 ILE 24 3HG2 ILE 24 -2.377 17.630 -20.081 198 1HD1 ILE 24 1HD1 ILE 24 -1.376 18.726 -21.725 199 2HD1 ILE 24 2HD1 ILE 24 0.349 18.755 -21.945 200 3HD1 ILE 24 3HD1 ILE 24 -0.344 17.455 -20.976 201 H GLN 25 H GLN 25 -3.109 19.039 -16.312 202 HA GLN 25 HA GLN 25 -5.631 20.217 -17.236 203 1HB GLN 25 1HB GLN 25 -5.042 18.353 -14.875 204 2HB GLN 25 2HB GLN 25 -6.644 18.753 -15.504 205 1HG GLN 25 1HG GLN 25 -6.076 17.593 -17.660 206 2HG GLN 25 2HG GLN 25 -4.509 17.133 -16.997 207 1HE2 GLN 25 2HE2 GLN 25 -8.033 16.784 -16.527 208 2HE2 GLN 25 1HE2 GLN 25 -7.918 15.242 -15.698 209 H LEU 26 H LEU 26 -3.720 20.539 -14.298 210 HA LEU 26 HA LEU 26 -5.506 22.268 -12.888 211 1HB LEU 26 1HB LEU 26 -3.745 21.272 -11.711 212 2HB LEU 26 2HB LEU 26 -2.511 21.978 -12.783 213 HG LEU 26 HG LEU 26 -2.446 22.855 -10.589 214 1HD1 LEU 26 1HD1 LEU 26 -1.834 24.274 -12.589 215 2HD1 LEU 26 2HD1 LEU 26 -3.386 25.119 -12.352 216 3HD1 LEU 26 3HD1 LEU 26 -2.191 25.118 -11.061 217 1HD2 LEU 26 1HD2 LEU 26 -4.790 22.615 -10.008 218 2HD2 LEU 26 2HD2 LEU 26 -4.187 24.261 -9.682 219 3HD2 LEU 26 3HD2 LEU 26 -5.212 23.954 -11.113 220 H GLY 27 H GLY 27 -2.984 22.983 -15.301 221 1HA GLY 27 1HA GLY 27 -3.296 25.840 -15.331 222 2HA GLY 27 2HA GLY 27 -2.670 24.855 -16.678 223 H GLU 28 H GLU 28 -4.551 23.388 -17.726 224 HA GLU 28 HA GLU 28 -6.313 24.984 -19.057 225 1HB GLU 28 1HB GLU 28 -5.981 22.520 -19.437 226 2HB GLU 28 2HB GLU 28 -7.072 22.214 -18.073 227 1HG GLU 28 1HG GLU 28 -8.832 23.599 -19.287 228 2HG GLU 28 2HG GLU 28 -7.713 23.719 -20.647 229 H GLU 29 H GLU 29 -7.095 23.483 -15.952 230 HA GLU 29 HA GLU 29 -9.749 24.566 -15.712 231 1HB GLU 29 1HB GLU 29 -9.395 22.725 -14.378 232 2HB GLU 29 2HB GLU 29 -7.836 23.313 -13.766 233 1HG GLU 29 1HG GLU 29 -9.622 23.289 -12.059 234 2HG GLU 29 2HG GLU 29 -8.878 24.868 -12.275 235 H LEU 30 H LEU 30 -6.629 25.757 -14.271 236 HA LEU 30 HA LEU 30 -7.913 27.991 -13.059 237 1HB LEU 30 1HB LEU 30 -5.054 27.400 -13.953 238 2HB LEU 30 2HB LEU 30 -5.468 29.040 -13.497 239 HG LEU 30 HG LEU 30 -5.641 26.644 -11.638 240 1HD1 LEU 30 1HD1 LEU 30 -3.345 27.445 -12.284 241 2HD1 LEU 30 2HD1 LEU 30 -3.780 29.038 -11.637 242 3HD1 LEU 30 3HD1 LEU 30 -3.720 27.630 -10.559 243 1HD2 LEU 30 1HD2 LEU 30 -6.147 29.630 -11.141 244 2HD2 LEU 30 2HD2 LEU 30 -7.340 28.329 -10.949 245 3HD2 LEU 30 3HD2 LEU 30 -5.950 28.420 -9.866 246 H LEU 31 H LEU 31 -6.699 27.531 -16.338 247 HA LEU 31 HA LEU 31 -7.198 30.283 -17.169 248 1HB LEU 31 1HB LEU 31 -6.905 27.624 -18.589 249 2HB LEU 31 2HB LEU 31 -7.215 29.131 -19.461 250 HG LEU 31 HG LEU 31 -5.194 30.082 -18.913 251 1HD1 LEU 31 1HD1 LEU 31 -5.176 29.680 -16.387 252 2HD1 LEU 31 2HD1 LEU 31 -4.402 28.127 -16.748 253 3HD1 LEU 31 3HD1 LEU 31 -3.685 29.644 -17.246 254 1HD2 LEU 31 1HD2 LEU 31 -5.021 28.070 -20.351 255 2HD2 LEU 31 2HD2 LEU 31 -3.526 28.339 -19.406 256 3HD2 LEU 31 3HD2 LEU 31 -4.682 27.091 -18.902 257 H ALA 32 H ALA 32 -9.111 27.327 -17.035 258 HA ALA 32 HA ALA 32 -11.435 28.409 -18.256 259 1HB ALA 32 1HB ALA 32 -11.024 25.938 -17.739 260 2HB ALA 32 2HB ALA 32 -11.484 26.291 -16.061 261 3HB ALA 32 3HB ALA 32 -12.646 26.545 -17.356 262 H GLN 33 H GLN 33 -9.934 29.151 -15.230 263 HA GLN 33 HA GLN 33 -12.355 30.406 -14.104 264 1HB GLN 33 1HB GLN 33 -9.969 29.152 -13.022 265 2HB GLN 33 2HB GLN 33 -10.040 30.833 -12.478 266 1HG GLN 33 1HG GLN 33 -12.331 30.439 -11.624 267 2HG GLN 33 2HG GLN 33 -12.301 28.789 -12.271 268 1HE2 GLN 33 2HE2 GLN 33 -10.870 27.177 -11.287 269 2HE2 GLN 33 1HE2 GLN 33 -10.242 27.451 -9.673 270 H GLY 34 H GLY 34 -9.273 31.057 -15.610 271 1HA GLY 34 1HA GLY 34 -9.303 33.048 -17.079 272 2HA GLY 34 2HA GLY 34 -9.817 33.995 -15.683 273 H ASP 35 H ASP 35 -7.465 31.552 -14.827 274 HA ASP 35 HA ASP 35 -5.507 33.781 -14.580 275 1HB ASP 35 1HB ASP 35 -6.200 32.396 -12.583 276 2HB ASP 35 2HB ASP 35 -5.129 31.148 -13.216 277 H TYR 36 H TYR 36 -5.413 33.470 -17.019 278 HA TYR 36 HA TYR 36 -3.816 31.626 -18.384 279 1HB TYR 36 1HB TYR 36 -3.259 33.675 -19.824 280 2HB TYR 36 2HB TYR 36 -4.910 33.080 -19.730 281 HD1 TYR 36 HD1 TYR 36 -2.666 35.771 -18.393 282 HD2 TYR 36 HD2 TYR 36 -6.713 34.399 -18.990 283 HE1 TYR 36 HE1 TYR 36 -3.531 37.982 -17.688 284 HE2 TYR 36 HE2 TYR 36 -7.571 36.598 -18.293 285 HH TYR 36 HH TYR 36 -7.033 38.709 -17.520 286 H GLU 37 H GLU 37 -2.784 34.244 -16.339 287 HA GLU 37 HA GLU 37 -0.021 34.107 -17.015 288 1HB GLU 37 1HB GLU 37 -1.305 35.063 -14.423 289 2HB GLU 37 2HB GLU 37 0.410 35.197 -14.835 290 1HG GLU 37 1HG GLU 37 -0.572 36.341 -17.066 291 2HG GLU 37 2HG GLU 37 -1.932 36.687 -15.985 292 H LYS 38 H LYS 38 -1.918 32.458 -14.572 293 HA LYS 38 HA LYS 38 0.355 30.930 -13.590 294 1HB LYS 38 1HB LYS 38 -2.637 30.419 -13.352 295 2HB LYS 38 2HB LYS 38 -1.423 29.388 -12.605 296 1HG LYS 38 1HG LYS 38 -1.619 32.338 -12.049 297 2HG LYS 38 2HG LYS 38 -2.452 31.071 -11.103 298 1HD LYS 38 1HD LYS 38 -0.125 30.082 -10.670 299 2HD LYS 38 2HD LYS 38 0.535 31.582 -11.347 300 1HE LYS 38 1HE LYS 38 -1.228 31.223 -8.891 301 2HE LYS 38 2HE LYS 38 0.403 31.906 -8.966 302 1HZ LYS 38 1HZ LYS 38 -0.551 33.759 -10.209 303 2HZ LYS 38 2HZ LYS 38 -2.059 33.112 -10.080 304 3HZ LYS 38 3HZ LYS 38 -1.256 33.607 -8.729 305 H GLY 39 H GLY 39 -2.040 30.420 -16.179 306 1HA GLY 39 1HA GLY 39 -1.319 27.721 -16.778 307 2HA GLY 39 2HA GLY 39 -1.889 28.910 -17.973 308 H VAL 40 H VAL 40 0.191 30.860 -17.685 309 HA VAL 40 HA VAL 40 1.989 29.641 -19.576 310 HB VAL 40 HB VAL 40 2.204 32.281 -18.033 311 1HG1 VAL 40 1HG1 VAL 40 4.018 31.185 -20.185 312 2HG1 VAL 40 2HG1 VAL 40 3.955 32.884 -19.679 313 3HG1 VAL 40 3HG1 VAL 40 4.460 31.651 -18.535 314 1HG2 VAL 40 1HG2 VAL 40 1.394 31.622 -20.911 315 2HG2 VAL 40 2HG2 VAL 40 0.403 32.393 -19.673 316 3HG2 VAL 40 3HG2 VAL 40 1.771 33.244 -20.358 317 H ASP 41 H ASP 41 2.356 30.432 -16.149 318 HA ASP 41 HA ASP 41 5.057 29.525 -15.894 319 1HB ASP 41 1HB ASP 41 4.136 30.987 -14.197 320 2HB ASP 41 2HB ASP 41 2.843 29.835 -13.823 321 H HIS 42 H HIS 42 2.008 27.957 -15.098 322 HA HIS 42 HA HIS 42 3.112 25.464 -14.276 323 1HB HIS 42 1HB HIS 42 0.335 26.320 -15.159 324 2HB HIS 42 2HB HIS 42 0.689 24.640 -14.807 325 HD1 HIS 42 HD1 HIS 42 2.290 24.528 -12.344 326 HD2 HIS 42 HD2 HIS 42 -0.755 27.355 -12.866 327 HE1 HIS 42 HE1 HIS 42 1.567 25.300 -10.028 328 H LEU 43 H LEU 43 1.997 26.650 -17.482 329 HA LEU 43 HA LEU 43 2.377 24.002 -18.600 330 1HB LEU 43 1HB LEU 43 1.023 26.016 -19.636 331 2HB LEU 43 2HB LEU 43 2.596 26.451 -20.331 332 HG LEU 43 HG LEU 43 2.573 23.867 -21.004 333 1HD1 LEU 43 1HD1 LEU 43 0.462 23.337 -19.681 334 2HD1 LEU 43 2HD1 LEU 43 -0.430 24.473 -20.708 335 3HD1 LEU 43 3HD1 LEU 43 0.271 23.010 -21.412 336 1HD2 LEU 43 1HD2 LEU 43 0.720 25.950 -22.283 337 2HD2 LEU 43 2HD2 LEU 43 2.447 25.717 -22.648 338 3HD2 LEU 43 3HD2 LEU 43 1.268 24.463 -23.086 339 H THR 44 H THR 44 4.420 26.949 -18.266 340 HA THR 44 HA THR 44 6.670 26.021 -19.655 341 HB THR 44 HB THR 44 6.649 27.787 -17.205 342 HG1 THR 44 HG1 THR 44 5.577 28.596 -19.028 343 1HG2 THR 44 1HG2 THR 44 8.841 27.157 -19.229 344 2HG2 THR 44 2HG2 THR 44 8.871 28.515 -18.084 345 3HG2 THR 44 3HG2 THR 44 8.902 26.855 -17.476 346 H ASN 45 H ASN 45 5.534 25.311 -16.417 347 HA ASN 45 HA ASN 45 7.838 23.794 -15.542 348 1HB ASN 45 1HB ASN 45 5.098 24.211 -14.414 349 2HB ASN 45 2HB ASN 45 6.124 22.897 -13.811 350 1HD2 ASN 45 2HD2 ASN 45 5.946 26.454 -14.159 351 2HD2 ASN 45 1HD2 ASN 45 7.117 26.786 -12.913 352 H ALA 46 H ALA 46 4.691 22.942 -17.049 353 HA ALA 46 HA ALA 46 4.961 20.169 -16.897 354 1HB ALA 46 1HB ALA 46 2.902 21.387 -17.467 355 2HB ALA 46 2HB ALA 46 3.539 21.720 -19.091 356 3HB ALA 46 3HB ALA 46 3.220 20.061 -18.562 357 H ILE 47 H ILE 47 6.223 22.548 -19.257 358 HA ILE 47 HA ILE 47 7.578 20.633 -20.930 359 HB ILE 47 HB ILE 47 8.060 23.602 -20.515 360 1HG1 ILE 47 1HG1 ILE 47 7.378 23.601 -23.045 361 2HG1 ILE 47 2HG1 ILE 47 6.735 21.979 -22.750 362 1HG2 ILE 47 1HG2 ILE 47 9.613 21.852 -22.367 363 2HG2 ILE 47 2HG2 ILE 47 9.614 23.637 -22.353 364 3HG2 ILE 47 3HG2 ILE 47 10.235 22.774 -20.984 365 1HD1 ILE 47 1HD1 ILE 47 5.975 24.449 -21.160 366 2HD1 ILE 47 2HD1 ILE 47 5.077 23.887 -22.571 367 3HD1 ILE 47 3HD1 ILE 47 5.173 22.842 -21.154 368 H ALA 48 H ALA 48 8.496 22.251 -17.993 369 HA ALA 48 HA ALA 48 11.283 21.678 -18.152 370 1HB ALA 48 1HB ALA 48 10.355 23.404 -16.618 371 2HB ALA 48 2HB ALA 48 9.722 22.095 -15.581 372 3HB ALA 48 3HB ALA 48 11.465 22.262 -15.837 373 H VAL 49 H VAL 49 8.534 19.747 -17.143 374 HA VAL 49 HA VAL 49 10.399 17.641 -16.144 375 HB VAL 49 HB VAL 49 8.543 16.620 -15.194 376 1HG1 VAL 49 1HG1 VAL 49 9.600 18.707 -14.133 377 2HG1 VAL 49 2HG1 VAL 49 8.148 19.588 -14.645 378 3HG1 VAL 49 3HG1 VAL 49 8.010 18.220 -13.526 379 1HG2 VAL 49 1HG2 VAL 49 6.812 17.209 -17.014 380 2HG2 VAL 49 2HG2 VAL 49 6.290 17.224 -15.349 381 3HG2 VAL 49 3HG2 VAL 49 6.638 18.761 -16.162 382 H CYS 50 H CYS 50 8.499 18.511 -18.952 383 HA CYS 50 HA CYS 50 8.371 15.697 -19.877 384 1HB CYS 50 1HB CYS 50 6.574 17.120 -20.439 385 2HB CYS 50 2HB CYS 50 7.643 18.292 -21.248 386 HG CYS 50 HG CYS 50 8.595 16.499 -22.980 387 H GLY 51 H GLY 51 10.146 18.696 -20.829 388 1HA GLY 51 1HA GLY 51 12.255 18.925 -21.695 389 2HA GLY 51 2HA GLY 51 12.535 17.187 -21.514 390 H GLN 52 H GLN 52 9.762 18.481 -23.218 391 HA GLN 52 HA GLN 52 10.901 18.258 -25.950 392 1HB GLN 52 1HB GLN 52 9.758 15.976 -24.799 393 2HB GLN 52 2HB GLN 52 8.482 16.622 -25.812 394 1HG GLN 52 1HG GLN 52 11.348 15.974 -26.612 395 2HG GLN 52 2HG GLN 52 9.892 15.064 -27.035 396 1HE2 GLN 52 2HE2 GLN 52 11.152 15.467 -29.205 397 2HE2 GLN 52 1HE2 GLN 52 10.625 16.871 -30.111 398 HA PRO 53 HA PRO 53 7.856 21.597 -24.651 399 1HB PRO 53 1HB PRO 53 9.135 23.582 -26.223 400 2HB PRO 53 2HB PRO 53 9.310 23.337 -24.480 401 1HG PRO 53 1HG PRO 53 11.077 22.292 -26.690 402 2HG PRO 53 2HG PRO 53 11.564 23.012 -25.129 403 1HD PRO 53 1HD PRO 53 11.614 20.384 -25.410 404 2HD PRO 53 2HD PRO 53 10.910 21.088 -23.938 405 H GLN 54 H GLN 54 9.441 21.397 -27.779 406 HA GLN 54 HA GLN 54 7.344 22.402 -29.375 407 1HB GLN 54 1HB GLN 54 9.473 20.350 -30.185 408 2HB GLN 54 2HB GLN 54 8.575 21.422 -31.270 409 1HG GLN 54 1HG GLN 54 9.698 23.404 -30.188 410 2HG GLN 54 2HG GLN 54 10.650 22.301 -29.184 411 1HE2 GLN 54 2HE2 GLN 54 12.113 23.983 -30.623 412 2HE2 GLN 54 1HE2 GLN 54 12.835 23.164 -31.994 413 H GLN 55 H GLN 55 8.026 18.960 -28.661 414 HA GLN 55 HA GLN 55 5.868 17.997 -30.237 415 1HB GLN 55 1HB GLN 55 7.584 16.464 -29.297 416 2HB GLN 55 2HB GLN 55 7.012 16.818 -27.659 417 1HG GLN 55 1HG GLN 55 6.189 14.660 -28.414 418 2HG GLN 55 2HG GLN 55 4.845 15.768 -28.151 419 1HE2 GLN 55 2HE2 GLN 55 7.120 14.877 -30.842 420 2HE2 GLN 55 1HE2 GLN 55 5.865 14.760 -32.058 421 H LEU 56 H LEU 56 5.977 18.972 -26.834 422 HA LEU 56 HA LEU 56 3.250 18.480 -26.414 423 1HB LEU 56 1HB LEU 56 4.894 18.749 -24.549 424 2HB LEU 56 2HB LEU 56 4.982 20.477 -24.911 425 HG LEU 56 HG LEU 56 2.524 20.663 -24.405 426 1HD1 LEU 56 1HD1 LEU 56 2.579 17.764 -24.403 427 2HD1 LEU 56 2HD1 LEU 56 2.278 18.296 -22.754 428 3HD1 LEU 56 3HD1 LEU 56 1.219 18.826 -24.022 429 1HD2 LEU 56 1HD2 LEU 56 4.435 19.668 -22.293 430 2HD2 LEU 56 2HD2 LEU 56 4.157 21.335 -22.820 431 3HD2 LEU 56 3HD2 LEU 56 2.879 20.473 -21.944 432 H LEU 57 H LEU 57 4.910 21.479 -27.513 433 HA LEU 57 HA LEU 57 2.482 23.044 -27.441 434 1HB LEU 57 1HB LEU 57 4.785 23.567 -29.338 435 2HB LEU 57 2HB LEU 57 3.544 24.684 -28.769 436 HG LEU 57 HG LEU 57 6.025 23.726 -27.406 437 1HD1 LEU 57 1HD1 LEU 57 5.866 25.893 -28.623 438 2HD1 LEU 57 2HD1 LEU 57 4.801 26.447 -27.302 439 3HD1 LEU 57 3HD1 LEU 57 6.459 25.954 -26.953 440 1HD2 LEU 57 1HD2 LEU 57 3.608 24.766 -25.847 441 2HD2 LEU 57 2HD2 LEU 57 4.378 23.179 -25.631 442 3HD2 LEU 57 3HD2 LEU 57 5.259 24.640 -25.213 443 H GLN 58 H GLN 58 3.800 20.822 -29.856 444 HA GLN 58 HA GLN 58 1.841 21.489 -31.840 445 1HB GLN 58 1HB GLN 58 4.093 19.974 -31.937 446 2HB GLN 58 2HB GLN 58 2.928 18.678 -31.664 447 1HG GLN 58 1HG GLN 58 3.230 18.953 -34.035 448 2HG GLN 58 2HG GLN 58 1.606 19.528 -33.623 449 1HE2 GLN 58 2HE2 GLN 58 1.599 20.785 -35.629 450 2HE2 GLN 58 1HE2 GLN 58 2.491 22.290 -35.715 451 H VAL 59 H VAL 59 2.007 19.076 -29.243 452 HA VAL 59 HA VAL 59 -0.476 17.855 -29.748 453 HB VAL 59 HB VAL 59 1.553 17.177 -28.168 454 1HG1 VAL 59 1HG1 VAL 59 -0.662 17.863 -26.125 455 2HG1 VAL 59 2HG1 VAL 59 0.777 16.900 -25.808 456 3HG1 VAL 59 3HG1 VAL 59 0.929 18.598 -26.155 457 1HG2 VAL 59 1HG2 VAL 59 0.153 15.739 -29.162 458 2HG2 VAL 59 2HG2 VAL 59 0.349 15.411 -27.433 459 3HG2 VAL 59 3HG2 VAL 59 -1.175 16.154 -28.014 460 H LEU 60 H LEU 60 0.305 20.736 -27.925 461 HA LEU 60 HA LEU 60 -2.372 21.113 -26.761 462 1HB LEU 60 1HB LEU 60 0.186 22.713 -27.128 463 2HB LEU 60 2HB LEU 60 -1.272 23.577 -26.725 464 HG LEU 60 HG LEU 60 0.449 22.894 -24.926 465 1HD1 LEU 60 1HD1 LEU 60 -2.592 22.609 -24.589 466 2HD1 LEU 60 2HD1 LEU 60 -1.469 22.883 -23.242 467 3HD1 LEU 60 3HD1 LEU 60 -1.673 24.126 -24.490 468 1HD2 LEU 60 1HD2 LEU 60 0.372 20.473 -25.269 469 2HD2 LEU 60 2HD2 LEU 60 -0.107 20.910 -23.630 470 3HD2 LEU 60 3HD2 LEU 60 -1.334 20.413 -24.812 471 H GLN 61 H GLN 61 -0.662 22.100 -29.735 472 HA GLN 61 HA GLN 61 -2.751 24.005 -30.449 473 1HB GLN 61 1HB GLN 61 -0.462 24.437 -31.107 474 2HB GLN 61 2HB GLN 61 -0.343 22.909 -31.983 475 1HG GLN 61 1HG GLN 61 -1.781 23.677 -33.743 476 2HG GLN 61 2HG GLN 61 -2.249 25.123 -32.835 477 1HE2 GLN 61 2HE2 GLN 61 -0.320 26.591 -32.171 478 2HE2 GLN 61 1HE2 GLN 61 0.905 26.811 -33.404 479 H GLN 62 H GLN 62 -2.325 20.638 -30.706 480 HA GLN 62 HA GLN 62 -4.050 20.212 -33.030 481 1HB GLN 62 1HB GLN 62 -2.110 18.876 -32.917 482 2HB GLN 62 2HB GLN 62 -2.341 18.529 -31.199 483 1HG GLN 62 1HG GLN 62 -2.765 16.579 -32.463 484 2HG GLN 62 2HG GLN 62 -4.240 17.111 -31.652 485 1HE2 GLN 62 2HE2 GLN 62 -5.283 15.632 -33.301 486 2HE2 GLN 62 1HE2 GLN 62 -5.608 16.279 -34.898 487 H THR 63 H THR 63 -4.238 19.908 -29.429 488 HA THR 63 HA THR 63 -6.792 18.522 -29.672 489 HB THR 63 HB THR 63 -5.377 17.876 -27.963 490 HG1 THR 63 HG1 THR 63 -6.957 17.915 -26.326 491 1HG2 THR 63 1HG2 THR 63 -5.640 20.670 -26.855 492 2HG2 THR 63 2HG2 THR 63 -5.235 19.275 -25.857 493 3HG2 THR 63 3HG2 THR 63 -4.174 19.732 -27.186 494 H LEU 64 H LEU 64 -5.770 21.830 -28.967 495 HA LEU 64 HA LEU 64 -8.291 22.811 -29.959 496 1HB LEU 64 1HB LEU 64 -9.399 23.601 -28.113 497 2HB LEU 64 2HB LEU 64 -8.800 22.079 -27.492 498 HG LEU 64 HG LEU 64 -7.547 24.814 -26.942 499 1HD1 LEU 64 1HD1 LEU 64 -9.345 23.050 -25.237 500 2HD1 LEU 64 2HD1 LEU 64 -8.553 24.550 -24.714 501 3HD1 LEU 64 3HD1 LEU 64 -9.792 24.601 -25.979 502 1HD2 LEU 64 1HD2 LEU 64 -7.053 22.082 -25.680 503 2HD2 LEU 64 2HD2 LEU 64 -5.899 22.958 -26.716 504 3HD2 LEU 64 3HD2 LEU 64 -6.344 23.615 -25.139 505 HA PRO 65 HA PRO 65 -5.693 26.278 -30.865 506 1HB PRO 65 1HB PRO 65 -7.399 28.424 -30.879 507 2HB PRO 65 2HB PRO 65 -7.299 27.185 -32.160 508 1HG PRO 65 1HG PRO 65 -9.261 27.301 -29.861 509 2HG PRO 65 2HG PRO 65 -9.609 27.018 -31.592 510 1HD PRO 65 1HD PRO 65 -9.418 24.969 -29.852 511 2HD PRO 65 2HD PRO 65 -8.717 24.808 -31.487 512 HA PRO 66 HA PRO 66 -5.263 27.587 -26.437 513 1HB PRO 66 1HB PRO 66 -2.724 27.153 -26.079 514 2HB PRO 66 2HB PRO 66 -3.806 25.820 -26.509 515 1HG PRO 66 1HG PRO 66 -1.876 27.200 -28.386 516 2HG PRO 66 2HG PRO 66 -2.280 25.477 -28.232 517 1HD PRO 66 1HD PRO 66 -3.468 27.446 -29.973 518 2HD PRO 66 2HD PRO 66 -3.960 25.755 -29.735 519 HA PRO 67 HA PRO 67 -4.111 31.827 -28.006 520 1HB PRO 67 1HB PRO 67 -5.646 33.310 -26.288 521 2HB PRO 67 2HB PRO 67 -6.293 32.561 -27.775 522 1HG PRO 67 1HG PRO 67 -6.425 31.454 -24.956 523 2HG PRO 67 2HG PRO 67 -7.761 31.629 -26.128 524 1HD PRO 67 1HD PRO 67 -6.488 29.275 -25.841 525 2HD PRO 67 2HD PRO 67 -6.942 29.868 -27.469 526 H VAL 68 H VAL 68 -4.370 30.481 -24.751 527 HA VAL 68 HA VAL 68 -2.741 32.282 -23.311 528 HB VAL 68 HB VAL 68 -3.267 29.290 -22.921 529 1HG1 VAL 68 1HG1 VAL 68 -1.703 31.261 -21.236 530 2HG1 VAL 68 2HG1 VAL 68 -2.366 29.731 -20.619 531 3HG1 VAL 68 3HG1 VAL 68 -1.156 29.699 -21.896 532 1HG2 VAL 68 1HG2 VAL 68 -4.314 31.850 -21.618 533 2HG2 VAL 68 2HG2 VAL 68 -5.234 30.777 -22.691 534 3HG2 VAL 68 3HG2 VAL 68 -4.718 30.205 -21.105 535 H PHE 69 H PHE 69 -1.894 29.332 -25.053 536 HA PHE 69 HA PHE 69 0.866 29.175 -24.600 537 1HB PHE 69 1HB PHE 69 0.294 27.382 -25.828 538 2HB PHE 69 2HB PHE 69 -0.974 28.254 -26.659 539 HD1 PHE 69 HD1 PHE 69 -0.682 29.406 -28.731 540 HD2 PHE 69 HD2 PHE 69 2.574 27.296 -26.869 541 HE1 PHE 69 HE1 PHE 69 0.580 29.505 -30.864 542 HE2 PHE 69 HE2 PHE 69 3.841 27.405 -29.037 543 HZ PHE 69 HZ PHE 69 2.849 28.497 -31.005 544 H GLN 70 H GLN 70 -0.857 31.179 -26.950 545 HA GLN 70 HA GLN 70 1.403 32.331 -28.219 546 1HB GLN 70 1HB GLN 70 -1.028 32.575 -28.943 547 2HB GLN 70 2HB GLN 70 -1.184 33.848 -27.714 548 1HG GLN 70 1HG GLN 70 0.771 35.033 -28.793 549 2HG GLN 70 2HG GLN 70 0.681 33.849 -30.107 550 1HE2 GLN 70 2HE2 GLN 70 -1.983 33.555 -30.636 551 2HE2 GLN 70 1HE2 GLN 70 -2.701 35.100 -31.056 552 H MET 71 H MET 71 -0.421 33.369 -25.344 553 HA MET 71 HA MET 71 1.275 35.658 -24.777 554 1HB MET 71 1HB MET 71 -0.626 34.232 -22.843 555 2HB MET 71 2HB MET 71 0.005 35.879 -22.746 556 1HG MET 71 1HG MET 71 -1.221 36.203 -25.071 557 2HG MET 71 2HG MET 71 -2.141 34.777 -24.576 558 1HE MET 71 1HE MET 71 -3.598 34.680 -22.360 559 2HE MET 71 2HE MET 71 -2.267 35.314 -21.354 560 3HE MET 71 3HE MET 71 -3.868 36.088 -21.306 561 H LEU 72 H LEU 72 1.493 32.192 -24.002 562 HA LEU 72 HA LEU 72 3.443 32.521 -21.927 563 1HB LEU 72 1HB LEU 72 2.820 30.289 -21.907 564 2HB LEU 72 2HB LEU 72 2.362 30.332 -23.576 565 HG LEU 72 HG LEU 72 4.820 30.131 -24.190 566 1HD1 LEU 72 1HD1 LEU 72 5.739 30.770 -21.893 567 2HD1 LEU 72 2HD1 LEU 72 5.019 29.280 -21.261 568 3HD1 LEU 72 3HD1 LEU 72 6.310 29.199 -22.474 569 1HD2 LEU 72 1HD2 LEU 72 3.477 27.908 -22.616 570 2HD2 LEU 72 2HD2 LEU 72 3.244 28.268 -24.342 571 3HD2 LEU 72 3HD2 LEU 72 4.819 27.701 -23.762 572 H LEU 73 H LEU 73 3.399 32.607 -25.425 573 HA LEU 73 HA LEU 73 6.293 32.814 -25.593 574 1HB LEU 73 1HB LEU 73 4.487 33.949 -27.739 575 2HB LEU 73 2HB LEU 73 6.126 33.356 -27.883 576 HG LEU 73 HG LEU 73 3.633 31.637 -27.549 577 1HD1 LEU 73 1HD1 LEU 73 3.840 32.734 -29.660 578 2HD1 LEU 73 2HD1 LEU 73 5.497 32.113 -29.850 579 3HD1 LEU 73 3HD1 LEU 73 4.112 30.986 -29.802 580 1HD2 LEU 73 1HD2 LEU 73 6.539 30.782 -27.864 581 2HD2 LEU 73 2HD2 LEU 73 5.561 30.574 -26.395 582 3HD2 LEU 73 3HD2 LEU 73 5.112 29.720 -27.876 583 H THR 74 H THR 74 3.754 35.181 -25.107 584 HA THR 74 HA THR 74 5.370 37.462 -25.715 585 HB THR 74 HB THR 74 3.491 38.632 -24.957 586 HG1 THR 74 HG1 THR 74 2.785 36.572 -23.484 587 1HG2 THR 74 1HG2 THR 74 3.265 37.875 -27.175 588 2HG2 THR 74 2HG2 THR 74 2.424 36.429 -26.628 589 3HG2 THR 74 3HG2 THR 74 1.690 38.012 -26.367 590 H LYS 75 H LYS 75 4.626 35.445 -22.905 591 HA LYS 75 HA LYS 75 5.510 37.352 -20.916 592 1HB LYS 75 1HB LYS 75 4.708 34.466 -21.148 593 2HB LYS 75 2HB LYS 75 5.452 34.995 -19.644 594 1HG LYS 75 1HG LYS 75 3.108 36.519 -20.855 595 2HG LYS 75 2HG LYS 75 2.810 35.054 -19.944 596 1HD LYS 75 1HD LYS 75 4.288 37.429 -18.763 597 2HD LYS 75 2HD LYS 75 2.542 37.153 -18.642 598 1HE LYS 75 1HE LYS 75 2.958 34.952 -17.537 599 2HE LYS 75 2HE LYS 75 4.698 35.302 -17.537 600 1HZ LYS 75 1HZ LYS 75 4.236 37.238 -16.209 601 2HZ LYS 75 2HZ LYS 75 2.626 36.909 -16.198 602 3HZ LYS 75 3HZ LYS 75 3.673 35.876 -15.472 603 H LEU 76 H LEU 76 7.227 35.246 -23.073 604 HA LEU 76 HA LEU 76 9.537 34.841 -21.404 605 1HB LEU 76 1HB LEU 76 9.102 34.646 -24.392 606 2HB LEU 76 2HB LEU 76 10.640 34.250 -23.617 607 HG LEU 76 HG LEU 76 7.980 32.861 -22.976 608 1HD1 LEU 76 1HD1 LEU 76 8.523 32.707 -25.380 609 2HD1 LEU 76 2HD1 LEU 76 10.090 31.996 -24.957 610 3HD1 LEU 76 3HD1 LEU 76 8.575 31.157 -24.532 611 1HD2 LEU 76 1HD2 LEU 76 10.882 32.033 -22.524 612 2HD2 LEU 76 2HD2 LEU 76 9.739 32.536 -21.259 613 3HD2 LEU 76 3HD2 LEU 76 9.446 31.051 -22.174 614 HA PRO 77 HA PRO 77 11.606 38.619 -23.273 615 1HB PRO 77 1HB PRO 77 10.429 40.227 -25.123 616 2HB PRO 77 2HB PRO 77 11.166 38.665 -25.590 617 1HG PRO 77 1HG PRO 77 8.234 39.191 -24.944 618 2HG PRO 77 2HG PRO 77 8.901 38.440 -26.427 619 1HD PRO 77 1HD PRO 77 8.053 36.903 -24.351 620 2HD PRO 77 2HD PRO 77 9.557 36.494 -25.244 621 H THR 78 H THR 78 11.374 41.058 -22.951 622 HA THR 78 HA THR 78 8.977 42.111 -21.710 623 HB THR 78 HB THR 78 11.422 41.245 -20.125 624 HG1 THR 78 HG1 THR 78 9.288 40.136 -20.240 625 1HG2 THR 78 1HG2 THR 78 9.539 43.533 -19.477 626 2HG2 THR 78 2HG2 THR 78 10.607 42.726 -18.297 627 3HG2 THR 78 3HG2 THR 78 11.314 43.614 -19.656 628 H ILE 79 H ILE 79 12.520 42.435 -22.190 629 HA ILE 79 HA ILE 79 12.528 45.270 -22.239 630 HB ILE 79 HB ILE 79 14.501 43.295 -23.514 631 1HG1 ILE 79 1HG1 ILE 79 15.968 43.998 -21.591 632 2HG1 ILE 79 2HG1 ILE 79 14.556 44.720 -20.814 633 1HG2 ILE 79 1HG2 ILE 79 14.739 46.280 -22.993 634 2HG2 ILE 79 2HG2 ILE 79 16.075 45.222 -23.488 635 3HG2 ILE 79 3HG2 ILE 79 14.717 45.470 -24.577 636 1HD1 ILE 79 1HD1 ILE 79 14.694 41.790 -21.673 637 2HD1 ILE 79 2HD1 ILE 79 15.287 42.363 -20.104 638 3HD1 ILE 79 3HD1 ILE 79 13.577 42.530 -20.494 639 H SER 80 H SER 80 12.432 42.875 -24.813 640 HA SER 80 HA SER 80 12.336 44.518 -27.050 641 1HB SER 80 1HB SER 80 10.679 41.979 -26.760 642 2HB SER 80 2HB SER 80 11.431 42.645 -28.222 643 HG SER 80 HG SER 80 12.707 40.979 -27.364 644 H GLN 81 H GLN 81 9.598 43.350 -25.077 645 HA GLN 81 HA GLN 81 7.515 44.628 -26.434 646 1HB GLN 81 1HB GLN 81 7.150 42.869 -24.862 647 2HB GLN 81 2HB GLN 81 7.823 43.790 -23.531 648 1HG GLN 81 1HG GLN 81 5.313 44.587 -25.080 649 2HG GLN 81 2HG GLN 81 5.296 43.593 -23.620 650 1HE2 GLN 81 2HE2 GLN 81 7.192 44.901 -21.968 651 2HE2 GLN 81 1HE2 GLN 81 6.538 46.478 -21.580 652 H ARG 82 H ARG 82 9.618 45.778 -23.844 653 HA ARG 82 HA ARG 82 8.256 48.255 -23.465 654 1HB ARG 82 1HB ARG 82 9.836 47.167 -21.870 655 2HB ARG 82 2HB ARG 82 11.186 47.812 -22.832 656 1HG ARG 82 1HG ARG 82 10.452 50.093 -22.432 657 2HG ARG 82 2HG ARG 82 8.975 49.534 -21.627 658 1HD ARG 82 1HD ARG 82 11.820 49.011 -20.681 659 2HD ARG 82 2HD ARG 82 10.717 50.230 -20.003 660 HE ARG 82 HE ARG 82 9.259 47.917 -19.827 661 1HH1 ARG 82 1HH1 ARG 82 12.425 48.905 -18.597 662 2HH1 ARG 82 2HH1 ARG 82 12.447 47.733 -17.307 663 1HH2 ARG 82 1HH2 ARG 82 9.278 46.366 -18.140 664 2HH2 ARG 82 2HH2 ARG 82 10.617 46.289 -17.032 665 H ILE 83 H ILE 83 10.975 47.408 -25.710 666 HA ILE 83 HA ILE 83 11.496 50.101 -26.450 667 HB ILE 83 HB ILE 83 11.714 47.719 -28.376 668 1HG1 ILE 83 1HG1 ILE 83 12.697 46.799 -26.675 669 2HG1 ILE 83 2HG1 ILE 83 13.991 47.453 -27.696 670 1HG2 ILE 83 1HG2 ILE 83 12.124 49.948 -29.389 671 2HG2 ILE 83 2HG2 ILE 83 13.387 50.258 -28.180 672 3HG2 ILE 83 3HG2 ILE 83 13.575 48.952 -29.363 673 1HD1 ILE 83 1HD1 ILE 83 14.271 49.312 -26.050 674 2HD1 ILE 83 2HD1 ILE 83 13.077 48.505 -24.991 675 3HD1 ILE 83 3HD1 ILE 83 14.599 47.694 -25.385 676 H VAL 84 H VAL 84 9.437 47.580 -27.846 677 HA VAL 84 HA VAL 84 8.311 49.147 -29.939 678 HB VAL 84 HB VAL 84 6.987 46.865 -28.405 679 1HG1 VAL 84 1HG1 VAL 84 6.307 48.071 -31.118 680 2HG1 VAL 84 2HG1 VAL 84 5.615 46.572 -30.467 681 3HG1 VAL 84 3HG1 VAL 84 5.294 48.109 -29.658 682 1HG2 VAL 84 1HG2 VAL 84 9.140 46.180 -29.508 683 2HG2 VAL 84 2HG2 VAL 84 7.734 45.419 -30.255 684 3HG2 VAL 84 3HG2 VAL 84 8.521 46.797 -31.048 685 H SER 85 H SER 85 7.177 48.703 -26.634 686 HA SER 85 HA SER 85 5.094 50.685 -26.925 687 1HB SER 85 1HB SER 85 6.203 49.302 -24.458 688 2HB SER 85 2HB SER 85 4.706 50.257 -24.519 689 HG SER 85 HG SER 85 4.612 47.846 -24.829 690 H ALA 86 H ALA 86 7.600 51.697 -27.655 691 HA ALA 86 HA ALA 86 7.699 54.203 -26.314 692 1HB ALA 86 1HB ALA 86 8.989 52.881 -24.618 693 2HB ALA 86 2HB ALA 86 10.108 52.371 -25.901 694 3HB ALA 86 3HB ALA 86 9.993 54.080 -25.439 695 H GLN 87 H GLN 87 7.226 53.192 -28.926 696 HA GLN 87 HA GLN 87 9.581 53.426 -30.565 697 1HB GLN 87 1HB GLN 87 7.642 51.977 -31.144 698 2HB GLN 87 2HB GLN 87 6.668 53.423 -31.409 699 1HG GLN 87 1HG GLN 87 8.987 53.850 -32.981 700 2HG GLN 87 2HG GLN 87 8.707 52.116 -33.103 701 1HE2 GLN 87 2HE2 GLN 87 6.909 55.237 -33.193 702 2HE2 GLN 87 1HE2 GLN 87 5.855 54.793 -34.532 703 H SER 88 H SER 88 9.974 55.564 -29.341 704 HA SER 88 HA SER 88 10.100 57.777 -31.001 705 1HB SER 88 1HB SER 88 7.619 57.795 -29.242 706 2HB SER 88 2HB SER 88 8.526 59.293 -29.514 707 HG SER 88 HG SER 88 6.862 58.972 -31.053 708 H LEU 89 H LEU 89 9.434 56.788 -27.637 709 HA LEU 89 HA LEU 89 11.702 58.423 -26.608 710 1HB LEU 89 1HB LEU 89 9.392 57.014 -25.195 711 2HB LEU 89 2HB LEU 89 10.558 58.098 -24.426 712 HG LEU 89 HG LEU 89 8.512 58.924 -26.545 713 1HD1 LEU 89 1HD1 LEU 89 7.467 58.251 -24.421 714 2HD1 LEU 89 2HD1 LEU 89 8.536 59.359 -23.533 715 3HD1 LEU 89 3HD1 LEU 89 7.337 59.999 -24.679 716 1HD2 LEU 89 1HD2 LEU 89 10.381 60.612 -24.814 717 2HD2 LEU 89 2HD2 LEU 89 10.473 60.427 -26.582 718 3HD2 LEU 89 3HD2 LEU 89 9.085 61.240 -25.849 719 H GLY 90 H GLY 90 12.285 56.178 -28.112 720 1HA GLY 90 1HA GLY 90 12.799 53.866 -26.415 721 2HA GLY 90 2HA GLY 90 13.361 54.128 -28.072 722 H GLU 91 H GLU 91 14.901 56.199 -28.141 723 HA GLU 91 HA GLU 91 17.100 55.736 -26.195 724 1HB GLU 91 1HB GLU 91 17.418 55.048 -28.589 725 2HB GLU 91 2HB GLU 91 17.224 56.741 -29.071 726 1HG GLU 91 1HG GLU 91 19.266 57.341 -27.841 727 2HG GLU 91 2HG GLU 91 19.371 55.701 -27.165 728 H ASP 92 H ASP 92 18.338 57.732 -25.581 729 HA ASP 92 HA ASP 92 16.802 60.281 -25.819 730 1HB ASP 92 1HB ASP 92 16.519 59.304 -23.614 731 2HB ASP 92 2HB ASP 92 18.268 59.082 -23.445 732 H ASP 93 H ASP 93 18.205 60.906 -27.693 733 HA ASP 93 HA ASP 93 21.058 60.807 -27.429 734 1HB ASP 93 1HB ASP 93 21.013 62.072 -29.546 735 2HB ASP 93 2HB ASP 93 20.012 60.616 -29.594 736 H VAL 94 H VAL 94 22.482 62.639 -26.924 737 HA VAL 94 HA VAL 94 21.241 65.241 -26.269 738 HB VAL 94 HB VAL 94 22.895 63.621 -24.274 739 1HG1 VAL 94 1HG1 VAL 94 21.715 66.429 -24.085 740 2HG1 VAL 94 2HG1 VAL 94 22.505 65.547 -22.763 741 3HG1 VAL 94 3HG1 VAL 94 23.445 66.034 -24.176 742 1HG2 VAL 94 1HG2 VAL 94 19.980 64.496 -24.172 743 2HG2 VAL 94 2HG2 VAL 94 20.586 62.825 -24.243 744 3HG2 VAL 94 3HG2 VAL 94 20.892 63.809 -22.816 745 H GLU 95 H GLU 95 24.341 63.525 -25.808 746 HA GLU 95 HA GLU 95 26.473 64.089 -26.222 747 1HB GLU 95 1HB GLU 95 25.283 64.804 -28.934 748 2HB GLU 95 2HB GLU 95 26.997 64.541 -28.585 749 1HG GLU 95 1HG GLU 95 26.261 62.501 -29.484 750 2HG GLU 95 2HG GLU 95 26.402 62.211 -27.748 751 1H GLY 1 1H GLY 1 -10.861 21.099 -27.636 752 2H GLY 1 2H GLY 1 -10.213 20.638 -29.086 753 3H GLY 1 3H GLY 1 -11.836 21.000 -28.957 754 1HA GLY 1 1HA GLY 1 -11.703 18.679 -29.028 755 2HA GLY 1 2HA GLY 1 -10.377 18.718 -27.843 756 HA PRO 2 HA PRO 2 -14.611 18.393 -25.683 757 1HB PRO 2 1HB PRO 2 -14.459 15.822 -24.723 758 2HB PRO 2 2HB PRO 2 -15.112 16.237 -26.330 759 1HG PRO 2 1HG PRO 2 -12.316 15.280 -25.677 760 2HG PRO 2 2HG PRO 2 -13.410 14.689 -26.957 761 1HD PRO 2 1HD PRO 2 -11.449 16.511 -27.475 762 2HD PRO 2 2HD PRO 2 -13.040 16.621 -28.286 763 H ARG 3 H ARG 3 -11.339 17.200 -24.896 764 HA ARG 3 HA ARG 3 -11.192 18.816 -22.500 765 1HB ARG 3 1HB ARG 3 -10.655 16.939 -20.994 766 2HB ARG 3 2HB ARG 3 -12.318 16.855 -21.588 767 1HG ARG 3 1HG ARG 3 -11.429 15.211 -23.383 768 2HG ARG 3 2HG ARG 3 -9.941 15.145 -22.414 769 1HD ARG 3 1HD ARG 3 -11.283 14.376 -20.469 770 2HD ARG 3 2HD ARG 3 -12.755 14.515 -21.460 771 HE ARG 3 HE ARG 3 -10.624 12.811 -22.557 772 1HH1 ARG 3 1HH1 ARG 3 -13.582 12.846 -20.591 773 2HH1 ARG 3 2HH1 ARG 3 -13.935 11.164 -20.861 774 1HH2 ARG 3 1HH2 ARG 3 -11.077 10.589 -22.873 775 2HH2 ARG 3 2HH2 ARG 3 -12.501 9.874 -22.173 776 H LEU 4 H LEU 4 -9.063 19.460 -22.271 777 HA LEU 4 HA LEU 4 -7.286 19.138 -24.380 778 1HB LEU 4 1HB LEU 4 -7.379 20.874 -22.572 779 2HB LEU 4 2HB LEU 4 -6.480 19.774 -21.518 780 HG LEU 4 HG LEU 4 -5.554 20.934 -24.194 781 1HD1 LEU 4 1HD1 LEU 4 -5.818 22.630 -22.415 782 2HD1 LEU 4 2HD1 LEU 4 -4.764 21.667 -21.352 783 3HD1 LEU 4 3HD1 LEU 4 -4.120 22.383 -22.840 784 1HD2 LEU 4 1HD2 LEU 4 -4.107 19.231 -22.128 785 2HD2 LEU 4 2HD2 LEU 4 -4.321 18.895 -23.844 786 3HD2 LEU 4 3HD2 LEU 4 -3.260 20.206 -23.350 787 H SER 5 H SER 5 -7.256 17.425 -21.196 788 HA SER 5 HA SER 5 -5.001 15.860 -21.778 789 1HB SER 5 1HB SER 5 -5.768 14.498 -19.784 790 2HB SER 5 2HB SER 5 -5.533 16.230 -19.544 791 HG SER 5 HG SER 5 -8.000 14.881 -19.940 792 H ARG 6 H ARG 6 -7.653 15.500 -23.668 793 HA ARG 6 HA ARG 6 -8.053 12.674 -23.588 794 1HB ARG 6 1HB ARG 6 -9.557 14.285 -24.694 795 2HB ARG 6 2HB ARG 6 -8.341 14.605 -25.932 796 1HG ARG 6 1HG ARG 6 -8.963 11.711 -25.546 797 2HG ARG 6 2HG ARG 6 -10.369 12.666 -26.007 798 1HD ARG 6 1HD ARG 6 -7.735 12.717 -27.535 799 2HD ARG 6 2HD ARG 6 -9.109 11.660 -27.918 800 HE ARG 6 HE ARG 6 -10.053 14.330 -27.735 801 1HH1 ARG 6 1HH1 ARG 6 -8.051 12.327 -29.857 802 2HH1 ARG 6 2HH1 ARG 6 -8.474 13.190 -31.311 803 1HH2 ARG 6 1HH2 ARG 6 -10.617 15.477 -29.645 804 2HH2 ARG 6 2HH2 ARG 6 -9.933 15.021 -31.178 805 H LEU 7 H LEU 7 -5.600 14.733 -25.082 806 HA LEU 7 HA LEU 7 -4.380 12.770 -26.802 807 1HB LEU 7 1HB LEU 7 -2.613 14.388 -27.042 808 2HB LEU 7 2HB LEU 7 -4.199 15.141 -27.167 809 HG LEU 7 HG LEU 7 -3.801 15.621 -24.571 810 1HD1 LEU 7 1HD1 LEU 7 -1.000 15.582 -25.801 811 2HD1 LEU 7 2HD1 LEU 7 -1.359 16.381 -24.284 812 3HD1 LEU 7 3HD1 LEU 7 -1.525 14.632 -24.468 813 1HD2 LEU 7 1HD2 LEU 7 -2.746 17.319 -26.798 814 2HD2 LEU 7 2HD2 LEU 7 -4.331 17.342 -25.997 815 3HD2 LEU 7 3HD2 LEU 7 -2.881 17.843 -25.111 816 H LEU 8 H LEU 8 -3.519 13.840 -23.485 817 HA LEU 8 HA LEU 8 -1.263 12.067 -23.263 818 1HB LEU 8 1HB LEU 8 -2.955 13.190 -21.108 819 2HB LEU 8 2HB LEU 8 -1.337 12.485 -20.915 820 HG LEU 8 HG LEU 8 -1.050 14.750 -20.571 821 1HD1 LEU 8 1HD1 LEU 8 0.030 14.170 -23.295 822 2HD1 LEU 8 2HD1 LEU 8 0.284 15.697 -22.467 823 3HD1 LEU 8 3HD1 LEU 8 0.811 14.181 -21.733 824 1HD2 LEU 8 1HD2 LEU 8 -2.973 15.359 -22.738 825 2HD2 LEU 8 2HD2 LEU 8 -2.963 15.800 -21.068 826 3HD2 LEU 8 3HD2 LEU 8 -1.845 16.554 -22.194 827 H SER 9 H SER 9 -1.295 9.997 -22.999 828 HA SER 9 HA SER 9 -2.288 8.004 -21.731 829 1HB SER 9 1HB SER 9 -4.662 8.610 -21.895 830 2HB SER 9 2HB SER 9 -4.548 8.730 -23.671 831 HG SER 9 HG SER 9 -5.417 6.739 -22.920 832 H TYR 10 H TYR 10 -2.136 9.511 -24.897 833 HA TYR 10 HA TYR 10 -1.412 7.417 -26.616 834 1HB TYR 10 1HB TYR 10 -0.740 9.190 -28.042 835 2HB TYR 10 2HB TYR 10 -2.151 9.770 -27.182 836 HD1 TYR 10 HD1 TYR 10 -0.194 10.473 -24.533 837 HD2 TYR 10 HD2 TYR 10 -0.210 11.501 -28.741 838 HE1 TYR 10 HE1 TYR 10 1.069 12.420 -24.029 839 HE2 TYR 10 HE2 TYR 10 1.089 13.503 -28.198 840 HH TYR 10 HH TYR 10 2.125 14.315 -24.865 841 H ALA 11 H ALA 11 0.308 8.551 -23.896 842 HA ALA 11 HA ALA 11 2.860 7.356 -24.634 843 1HB ALA 11 1HB ALA 11 2.967 9.798 -25.301 844 2HB ALA 11 2HB ALA 11 2.433 10.235 -23.666 845 3HB ALA 11 3HB ALA 11 4.006 9.449 -23.898 Start of MODEL 11 1 1H ARG 1 1H ARG 1 3.209 9.881 5.203 2 2H ARG 1 2H ARG 1 2.202 9.704 6.511 3 3H ARG 1 3H ARG 1 2.179 8.609 5.272 4 HA ARG 1 HA ARG 1 0.290 10.024 5.094 5 1HB ARG 1 1HB ARG 1 2.402 12.217 4.854 6 2HB ARG 1 2HB ARG 1 0.685 12.415 4.490 7 1HG ARG 1 1HG ARG 1 0.096 11.917 6.833 8 2HG ARG 1 2HG ARG 1 1.823 11.760 7.241 9 1HD ARG 1 1HD ARG 1 2.244 14.069 6.550 10 2HD ARG 1 2HD ARG 1 0.554 14.246 6.009 11 HE ARG 1 HE ARG 1 0.471 13.481 8.715 12 1HH1 ARG 1 1HH1 ARG 1 1.623 16.222 6.785 13 2HH1 ARG 1 2HH1 ARG 1 1.289 17.411 8.013 14 1HH2 ARG 1 1HH2 ARG 1 0.000 15.056 10.335 15 2HH2 ARG 1 2HH2 ARG 1 0.352 16.735 10.054 16 H ALA 2 H ALA 2 -0.516 10.613 2.994 17 HA ALA 2 HA ALA 2 1.315 10.545 0.694 18 1HB ALA 2 1HB ALA 2 0.668 8.156 1.086 19 2HB ALA 2 2HB ALA 2 -1.045 8.617 0.943 20 3HB ALA 2 3HB ALA 2 0.051 8.794 -0.449 21 H GLY 3 H GLY 3 0.131 12.672 1.872 22 1HA GLY 3 1HA GLY 3 -2.376 13.363 0.488 23 2HA GLY 3 2HA GLY 3 -1.480 14.331 1.668 24 H LEU 4 H LEU 4 -1.038 12.923 -1.555 25 HA LEU 4 HA LEU 4 -0.192 13.750 -3.560 26 1HB LEU 4 1HB LEU 4 -1.706 15.374 -3.698 27 2HB LEU 4 2HB LEU 4 -1.230 16.245 -2.270 28 HG LEU 4 HG LEU 4 0.462 16.381 -4.808 29 1HD1 LEU 4 1HD1 LEU 4 -1.836 18.132 -3.880 30 2HD1 LEU 4 2HD1 LEU 4 -0.755 18.443 -5.260 31 3HD1 LEU 4 3HD1 LEU 4 -1.845 17.045 -5.291 32 1HD2 LEU 4 1HD2 LEU 4 0.161 18.145 -2.321 33 2HD2 LEU 4 2HD2 LEU 4 1.597 17.184 -2.720 34 3HD2 LEU 4 3HD2 LEU 4 1.128 18.537 -3.751 35 H SER 5 H SER 5 1.713 14.608 -4.606 36 HA SER 5 HA SER 5 3.871 15.617 -3.120 37 1HB SER 5 1HB SER 5 5.384 13.621 -3.364 38 2HB SER 5 2HB SER 5 4.075 13.348 -2.204 39 HG SER 5 HG SER 5 4.000 12.584 -4.937 40 H LYS 6 H LYS 6 4.051 17.122 -4.765 41 HA LYS 6 HA LYS 6 4.116 16.419 -7.561 42 1HB LYS 6 1HB LYS 6 5.151 18.882 -6.071 43 2HB LYS 6 2HB LYS 6 4.749 18.828 -7.783 44 1HG LYS 6 1HG LYS 6 2.383 18.720 -7.317 45 2HG LYS 6 2HG LYS 6 2.614 18.436 -5.594 46 1HD LYS 6 1HD LYS 6 3.538 20.942 -7.018 47 2HD LYS 6 2HD LYS 6 1.949 20.739 -6.254 48 1HE LYS 6 1HE LYS 6 3.045 20.292 -4.060 49 2HE LYS 6 2HE LYS 6 4.633 20.585 -4.788 50 1HZ LYS 6 1HZ LYS 6 2.457 22.540 -4.616 51 2HZ LYS 6 2HZ LYS 6 3.813 22.501 -3.681 52 3HZ LYS 6 3HZ LYS 6 3.936 22.803 -5.295 53 H LEU 7 H LEU 7 6.026 15.794 -8.772 54 HA LEU 7 HA LEU 7 8.107 14.970 -9.044 55 1HB LEU 7 1HB LEU 7 8.730 17.712 -7.882 56 2HB LEU 7 2HB LEU 7 9.881 16.731 -8.788 57 HG LEU 7 HG LEU 7 7.243 17.744 -9.949 58 1HD1 LEU 7 1HD1 LEU 7 10.044 18.889 -10.197 59 2HD1 LEU 7 2HD1 LEU 7 8.605 19.437 -11.087 60 3HD1 LEU 7 3HD1 LEU 7 8.679 19.621 -9.327 61 1HD2 LEU 7 1HD2 LEU 7 8.216 15.744 -11.138 62 2HD2 LEU 7 2HD2 LEU 7 8.315 17.202 -12.115 63 3HD2 LEU 7 3HD2 LEU 7 9.755 16.629 -11.287 64 HA PRO 8 HA PRO 8 8.835 13.663 -4.694 65 1HB PRO 8 1HB PRO 8 8.214 11.016 -4.886 66 2HB PRO 8 2HB PRO 8 6.987 12.293 -4.744 67 1HG PRO 8 1HG PRO 8 7.884 10.946 -7.306 68 2HG PRO 8 2HG PRO 8 6.225 11.240 -6.725 69 1HD PRO 8 1HD PRO 8 7.535 12.894 -8.489 70 2HD PRO 8 2HD PRO 8 6.322 13.495 -7.330 71 H ASP 9 H ASP 9 9.615 10.705 -6.388 72 HA ASP 9 HA ASP 9 12.418 11.014 -5.748 73 1HB ASP 9 1HB ASP 9 11.099 8.840 -5.672 74 2HB ASP 9 2HB ASP 9 11.196 8.802 -7.442 75 H LEU 10 H LEU 10 10.448 11.461 -8.632 76 HA LEU 10 HA LEU 10 10.745 12.294 -10.596 77 1HB LEU 10 1HB LEU 10 12.677 13.606 -8.881 78 2HB LEU 10 2HB LEU 10 13.535 13.270 -10.370 79 HG LEU 10 HG LEU 10 10.987 15.008 -10.097 80 1HD1 LEU 10 1HD1 LEU 10 13.908 15.633 -10.299 81 2HD1 LEU 10 2HD1 LEU 10 12.545 16.794 -10.383 82 3HD1 LEU 10 3HD1 LEU 10 12.830 15.858 -8.897 83 1HD2 LEU 10 1HD2 LEU 10 12.963 14.526 -12.405 84 2HD2 LEU 10 2HD2 LEU 10 11.291 13.938 -12.368 85 3HD2 LEU 10 3HD2 LEU 10 11.612 15.681 -12.412 86 H LYS 11 H LYS 11 13.092 10.022 -9.614 87 HA LYS 11 HA LYS 11 14.338 9.596 -12.156 88 1HB LYS 11 1HB LYS 11 13.782 7.670 -9.866 89 2HB LYS 11 2HB LYS 11 14.889 7.323 -11.189 90 1HG LYS 11 1HG LYS 11 15.301 9.743 -9.386 91 2HG LYS 11 2HG LYS 11 15.852 8.136 -8.921 92 1HD LYS 11 1HD LYS 11 17.338 7.949 -10.794 93 2HD LYS 11 2HD LYS 11 16.701 9.432 -11.542 94 1HE LYS 11 1HE LYS 11 17.516 10.776 -9.643 95 2HE LYS 11 2HE LYS 11 18.101 9.311 -8.831 96 1HZ LYS 11 1HZ LYS 11 19.076 10.331 -11.414 97 2HZ LYS 11 2HZ LYS 11 19.847 10.475 -9.967 98 3HZ LYS 11 3HZ LYS 11 19.628 8.987 -10.635 99 H ASP 12 H ASP 12 11.262 8.413 -10.792 100 HA ASP 12 HA ASP 12 10.926 6.397 -12.848 101 1HB ASP 12 1HB ASP 12 8.858 7.588 -10.990 102 2HB ASP 12 2HB ASP 12 8.731 6.078 -11.915 103 H ALA 13 H ALA 13 9.748 6.482 -14.650 104 HA ALA 13 HA ALA 13 9.268 9.029 -15.923 105 1HB ALA 13 1HB ALA 13 10.124 7.083 -17.174 106 2HB ALA 13 2HB ALA 13 8.622 6.195 -16.837 107 3HB ALA 13 3HB ALA 13 8.585 7.652 -17.852 108 H GLU 14 H GLU 14 7.272 6.446 -14.688 109 HA GLU 14 HA GLU 14 4.723 7.381 -15.453 110 1HB GLU 14 1HB GLU 14 5.467 5.744 -12.980 111 2HB GLU 14 2HB GLU 14 3.884 5.856 -13.762 112 1HG GLU 14 1HG GLU 14 4.548 3.946 -14.777 113 2HG GLU 14 2HG GLU 14 5.339 5.038 -15.911 114 H ALA 15 H ALA 15 6.687 8.035 -12.578 115 HA ALA 15 HA ALA 15 4.705 9.599 -11.171 116 1HB ALA 15 1HB ALA 15 6.633 8.513 -10.037 117 2HB ALA 15 2HB ALA 15 7.742 9.622 -10.883 118 3HB ALA 15 3HB ALA 15 6.563 10.258 -9.720 119 H VAL 16 H VAL 16 7.261 10.273 -13.495 120 HA VAL 16 HA VAL 16 7.078 13.181 -13.268 121 HB VAL 16 HB VAL 16 8.704 11.301 -14.784 122 1HG1 VAL 16 1HG1 VAL 16 7.942 13.773 -16.300 123 2HG1 VAL 16 2HG1 VAL 16 9.278 12.654 -16.663 124 3HG1 VAL 16 3HG1 VAL 16 7.616 12.082 -16.780 125 1HG2 VAL 16 1HG2 VAL 16 9.528 12.568 -13.013 126 2HG2 VAL 16 2HG2 VAL 16 10.404 12.821 -14.533 127 3HG2 VAL 16 3HG2 VAL 16 9.267 14.071 -13.956 128 H GLN 17 H GLN 17 5.622 10.637 -15.278 129 HA GLN 17 HA GLN 17 4.260 12.450 -17.014 130 1HB GLN 17 1HB GLN 17 4.620 9.991 -17.475 131 2HB GLN 17 2HB GLN 17 3.262 9.653 -16.376 132 1HG GLN 17 1HG GLN 17 1.760 10.976 -17.791 133 2HG GLN 17 2HG GLN 17 3.118 11.530 -18.779 134 1HE2 GLN 17 2HE2 GLN 17 0.899 8.850 -18.187 135 2HE2 GLN 17 1HE2 GLN 17 1.398 7.919 -19.592 136 H LYS 18 H LYS 18 3.415 10.899 -13.922 137 HA LYS 18 HA LYS 18 0.720 11.800 -13.782 138 1HB LYS 18 1HB LYS 18 2.770 11.138 -11.652 139 2HB LYS 18 2HB LYS 18 1.145 11.653 -11.230 140 1HG LYS 18 1HG LYS 18 1.539 9.371 -13.172 141 2HG LYS 18 2HG LYS 18 1.770 9.072 -11.458 142 1HD LYS 18 1HD LYS 18 -0.772 10.231 -12.699 143 2HD LYS 18 2HD LYS 18 -0.522 8.519 -12.371 144 1HE LYS 18 1HE LYS 18 -0.567 10.712 -10.233 145 2HE LYS 18 2HE LYS 18 -1.899 9.638 -10.647 146 1HZ LYS 18 1HZ LYS 18 -0.563 7.776 -9.987 147 2HZ LYS 18 2HZ LYS 18 0.695 8.765 -9.588 148 3HZ LYS 18 3HZ LYS 18 -0.718 8.858 -8.757 149 H PHE 19 H PHE 19 3.631 13.306 -12.325 150 HA PHE 19 HA PHE 19 2.276 15.670 -11.480 151 1HB PHE 19 1HB PHE 19 4.303 15.320 -10.413 152 2HB PHE 19 2HB PHE 19 5.156 14.925 -11.907 153 HD1 PHE 19 HD1 PHE 19 5.924 16.596 -13.457 154 HD2 PHE 19 HD2 PHE 19 3.921 17.750 -9.820 155 HE1 PHE 19 HE1 PHE 19 6.643 18.964 -13.769 156 HE2 PHE 19 HE2 PHE 19 4.684 20.098 -10.159 157 HZ PHE 19 HZ PHE 19 6.080 20.651 -12.221 158 H PHE 20 H PHE 20 4.049 14.968 -14.508 159 HA PHE 20 HA PHE 20 4.064 17.551 -15.627 160 1HB PHE 20 1HB PHE 20 5.355 15.902 -16.643 161 2HB PHE 20 2HB PHE 20 4.000 14.782 -16.815 162 HD1 PHE 20 HD1 PHE 20 5.256 18.057 -18.061 163 HD2 PHE 20 HD2 PHE 20 2.977 14.494 -18.879 164 HE1 PHE 20 HE1 PHE 20 5.058 18.728 -20.441 165 HE2 PHE 20 HE2 PHE 20 2.786 15.170 -21.258 166 HZ PHE 20 HZ PHE 20 3.841 17.272 -22.034 167 H LEU 21 H LEU 21 1.626 14.897 -15.965 168 HA LEU 21 HA LEU 21 -0.306 16.510 -17.332 169 1HB LEU 21 1HB LEU 21 -0.141 13.773 -16.108 170 2HB LEU 21 2HB LEU 21 -1.714 14.483 -15.940 171 HG LEU 21 HG LEU 21 -0.417 14.162 -18.712 172 1HD1 LEU 21 1HD1 LEU 21 -2.292 12.351 -17.138 173 2HD1 LEU 21 2HD1 LEU 21 -1.818 12.143 -18.836 174 3HD1 LEU 21 3HD1 LEU 21 -0.606 12.003 -17.562 175 1HD2 LEU 21 1HD2 LEU 21 -3.194 14.878 -17.659 176 2HD2 LEU 21 2HD2 LEU 21 -2.139 15.840 -18.715 177 3HD2 LEU 21 3HD2 LEU 21 -2.880 14.348 -19.299 178 H GLU 22 H GLU 22 0.312 15.974 -13.877 179 HA GLU 22 HA GLU 22 -2.093 17.132 -12.952 180 1HB GLU 22 1HB GLU 22 -0.371 16.040 -11.484 181 2HB GLU 22 2HB GLU 22 0.639 17.489 -11.644 182 1HG GLU 22 1HG GLU 22 -1.081 18.869 -10.605 183 2HG GLU 22 2HG GLU 22 -2.158 17.468 -10.482 184 H GLU 23 H GLU 23 0.888 18.660 -14.214 185 HA GLU 23 HA GLU 23 -0.033 21.372 -13.610 186 1HB GLU 23 1HB GLU 23 2.391 20.318 -15.041 187 2HB GLU 23 2HB GLU 23 1.991 22.036 -14.884 188 1HG GLU 23 1HG GLU 23 1.595 20.823 -12.271 189 2HG GLU 23 2HG GLU 23 3.136 20.265 -12.892 190 H ILE 24 H ILE 24 0.162 19.355 -16.537 191 HA ILE 24 HA ILE 24 -0.903 21.306 -18.364 192 HB ILE 24 HB ILE 24 -0.764 18.280 -18.328 193 1HG1 ILE 24 1HG1 ILE 24 0.240 20.374 -20.200 194 2HG1 ILE 24 2HG1 ILE 24 0.983 18.872 -19.643 195 1HG2 ILE 24 1HG2 ILE 24 -3.083 18.340 -18.762 196 2HG2 ILE 24 2HG2 ILE 24 -2.818 19.442 -20.131 197 3HG2 ILE 24 3HG2 ILE 24 -2.199 17.785 -20.122 198 1HD1 ILE 24 1HD1 ILE 24 -1.243 18.987 -21.738 199 2HD1 ILE 24 2HD1 ILE 24 0.458 18.948 -22.048 200 3HD1 ILE 24 3HD1 ILE 24 -0.273 17.581 -21.212 201 H GLN 25 H GLN 25 -2.511 19.017 -16.216 202 HA GLN 25 HA GLN 25 -5.215 19.672 -16.808 203 1HB GLN 25 1HB GLN 25 -3.911 18.472 -14.335 204 2HB GLN 25 2HB GLN 25 -5.653 18.583 -14.549 205 1HG GLN 25 1HG GLN 25 -4.054 17.194 -16.702 206 2HG GLN 25 2HG GLN 25 -4.257 16.397 -15.138 207 1HE2 GLN 25 2HE2 GLN 25 -5.762 17.106 -18.144 208 2HE2 GLN 25 1HE2 GLN 25 -7.338 16.440 -17.771 209 H LEU 26 H LEU 26 -3.320 20.486 -13.971 210 HA LEU 26 HA LEU 26 -5.036 22.214 -12.634 211 1HB LEU 26 1HB LEU 26 -3.007 21.256 -11.699 212 2HB LEU 26 2HB LEU 26 -2.000 22.292 -12.740 213 HG LEU 26 HG LEU 26 -1.803 23.038 -10.594 214 1HD1 LEU 26 1HD1 LEU 26 -2.242 24.840 -12.302 215 2HD1 LEU 26 2HD1 LEU 26 -3.887 24.953 -11.625 216 3HD1 LEU 26 3HD1 LEU 26 -2.489 25.283 -10.597 217 1HD2 LEU 26 1HD2 LEU 26 -3.647 21.859 -9.601 218 2HD2 LEU 26 2HD2 LEU 26 -3.652 23.566 -9.104 219 3HD2 LEU 26 3HD2 LEU 26 -4.812 22.993 -10.342 220 H GLY 27 H GLY 27 -2.459 23.173 -14.986 221 1HA GLY 27 1HA GLY 27 -3.087 25.963 -15.022 222 2HA GLY 27 2HA GLY 27 -2.319 25.080 -16.361 223 H GLU 28 H GLU 28 -4.021 23.533 -17.597 224 HA GLU 28 HA GLU 28 -5.832 25.251 -18.811 225 1HB GLU 28 1HB GLU 28 -5.788 22.241 -18.619 226 2HB GLU 28 2HB GLU 28 -6.933 23.129 -19.635 227 1HG GLU 28 1HG GLU 28 -3.929 23.612 -19.820 228 2HG GLU 28 2HG GLU 28 -4.763 22.416 -20.785 229 H GLU 29 H GLU 29 -6.454 23.497 -15.841 230 HA GLU 29 HA GLU 29 -9.314 24.093 -15.854 231 1HB GLU 29 1HB GLU 29 -8.585 22.157 -14.711 232 2HB GLU 29 2HB GLU 29 -7.528 23.099 -13.629 233 1HG GLU 29 1HG GLU 29 -9.428 24.160 -12.582 234 2HG GLU 29 2HG GLU 29 -10.537 23.497 -13.799 235 H LEU 30 H LEU 30 -6.408 25.655 -14.304 236 HA LEU 30 HA LEU 30 -8.091 27.663 -13.067 237 1HB LEU 30 1HB LEU 30 -5.121 27.668 -13.808 238 2HB LEU 30 2HB LEU 30 -5.928 29.033 -13.038 239 HG LEU 30 HG LEU 30 -5.670 26.305 -11.790 240 1HD1 LEU 30 1HD1 LEU 30 -3.524 27.563 -12.005 241 2HD1 LEU 30 2HD1 LEU 30 -4.270 28.954 -11.193 242 3HD1 LEU 30 3HD1 LEU 30 -4.032 27.434 -10.308 243 1HD2 LEU 30 1HD2 LEU 30 -6.769 28.924 -10.675 244 2HD2 LEU 30 2HD2 LEU 30 -7.677 27.411 -10.911 245 3HD2 LEU 30 3HD2 LEU 30 -6.395 27.489 -9.703 246 H LEU 31 H LEU 31 -6.593 27.371 -16.240 247 HA LEU 31 HA LEU 31 -7.362 30.054 -17.138 248 1HB LEU 31 1HB LEU 31 -6.779 27.415 -18.510 249 2HB LEU 31 2HB LEU 31 -7.151 28.892 -19.403 250 HG LEU 31 HG LEU 31 -5.189 29.911 -18.928 251 1HD1 LEU 31 1HD1 LEU 31 -5.338 29.806 -16.357 252 2HD1 LEU 31 2HD1 LEU 31 -4.382 28.328 -16.480 253 3HD1 LEU 31 3HD1 LEU 31 -3.796 29.853 -17.127 254 1HD2 LEU 31 1HD2 LEU 31 -4.959 27.638 -20.034 255 2HD2 LEU 31 2HD2 LEU 31 -3.463 28.304 -19.335 256 3HD2 LEU 31 3HD2 LEU 31 -4.361 27.037 -18.477 257 H ALA 32 H ALA 32 -8.997 26.962 -16.878 258 HA ALA 32 HA ALA 32 -11.324 27.750 -18.302 259 1HB ALA 32 1HB ALA 32 -10.734 25.380 -17.479 260 2HB ALA 32 2HB ALA 32 -11.428 25.864 -15.917 261 3HB ALA 32 3HB ALA 32 -12.432 25.878 -17.355 262 H GLN 33 H GLN 33 -10.068 28.736 -15.212 263 HA GLN 33 HA GLN 33 -12.601 29.970 -14.355 264 1HB GLN 33 1HB GLN 33 -10.338 28.871 -13.026 265 2HB GLN 33 2HB GLN 33 -10.224 30.618 -12.771 266 1HG GLN 33 1HG GLN 33 -12.579 30.614 -11.951 267 2HG GLN 33 2HG GLN 33 -12.657 28.860 -12.213 268 1HE2 GLN 33 2HE2 GLN 33 -10.708 27.614 -11.133 269 2HE2 GLN 33 1HE2 GLN 33 -10.358 28.097 -9.486 270 H GLY 34 H GLY 34 -9.472 30.645 -15.713 271 1HA GLY 34 1HA GLY 34 -9.465 32.459 -17.416 272 2HA GLY 34 2HA GLY 34 -10.124 33.528 -16.181 273 H ASP 35 H ASP 35 -7.752 31.284 -14.901 274 HA ASP 35 HA ASP 35 -6.009 33.630 -14.558 275 1HB ASP 35 1HB ASP 35 -6.680 31.838 -12.736 276 2HB ASP 35 2HB ASP 35 -5.226 31.031 -13.327 277 H TYR 36 H TYR 36 -5.830 33.286 -17.057 278 HA TYR 36 HA TYR 36 -4.032 31.730 -18.474 279 1HB TYR 36 1HB TYR 36 -4.145 34.704 -18.746 280 2HB TYR 36 2HB TYR 36 -3.945 33.479 -20.009 281 HD1 TYR 36 HD1 TYR 36 -6.056 31.698 -20.024 282 HD2 TYR 36 HD2 TYR 36 -6.197 35.818 -18.756 283 HE1 TYR 36 HE1 TYR 36 -8.485 31.746 -20.458 284 HE2 TYR 36 HE2 TYR 36 -8.632 35.863 -19.195 285 HH TYR 36 HH TYR 36 -10.421 32.999 -20.380 286 H GLU 37 H GLU 37 -3.141 34.351 -16.376 287 HA GLU 37 HA GLU 37 -0.378 34.303 -17.093 288 1HB GLU 37 1HB GLU 37 -1.586 35.386 -14.518 289 2HB GLU 37 2HB GLU 37 0.027 35.714 -15.175 290 1HG GLU 37 1HG GLU 37 -1.168 36.502 -17.325 291 2HG GLU 37 2HG GLU 37 -2.654 36.539 -16.366 292 H LYS 38 H LYS 38 -2.205 32.531 -14.715 293 HA LYS 38 HA LYS 38 0.172 31.271 -13.545 294 1HB LYS 38 1HB LYS 38 -2.710 30.257 -13.527 295 2HB LYS 38 2HB LYS 38 -1.389 29.638 -12.547 296 1HG LYS 38 1HG LYS 38 -2.060 32.541 -12.256 297 2HG LYS 38 2HG LYS 38 -3.153 31.277 -11.612 298 1HD LYS 38 1HD LYS 38 -1.442 30.338 -10.233 299 2HD LYS 38 2HD LYS 38 -0.218 31.420 -10.926 300 1HE LYS 38 1HE LYS 38 -1.085 32.172 -8.683 301 2HE LYS 38 2HE LYS 38 -1.260 33.375 -9.976 302 1HZ LYS 38 1HZ LYS 38 -3.417 31.627 -8.996 303 2HZ LYS 38 2HZ LYS 38 -3.219 33.218 -8.617 304 3HZ LYS 38 3HZ LYS 38 -3.588 32.780 -10.154 305 H GLY 39 H GLY 39 -2.187 30.575 -16.099 306 1HA GLY 39 1HA GLY 39 -1.474 27.924 -16.761 307 2HA GLY 39 2HA GLY 39 -1.998 29.157 -17.941 308 H VAL 40 H VAL 40 0.076 31.037 -17.637 309 HA VAL 40 HA VAL 40 1.857 29.863 -19.545 310 HB VAL 40 HB VAL 40 2.203 32.387 -17.834 311 1HG1 VAL 40 1HG1 VAL 40 3.824 31.282 -20.135 312 2HG1 VAL 40 2HG1 VAL 40 3.894 32.972 -19.616 313 3HG1 VAL 40 3HG1 VAL 40 4.401 31.693 -18.512 314 1HG2 VAL 40 1HG2 VAL 40 1.274 32.041 -20.733 315 2HG2 VAL 40 2HG2 VAL 40 0.330 32.687 -19.391 316 3HG2 VAL 40 3HG2 VAL 40 1.717 33.582 -19.990 317 H ASP 41 H ASP 41 2.211 30.455 -16.057 318 HA ASP 41 HA ASP 41 4.862 29.406 -15.866 319 1HB ASP 41 1HB ASP 41 3.967 30.893 -14.137 320 2HB ASP 41 2HB ASP 41 2.762 29.676 -13.678 321 H HIS 42 H HIS 42 1.710 27.959 -15.190 322 HA HIS 42 HA HIS 42 2.660 25.402 -14.399 323 1HB HIS 42 1HB HIS 42 -0.012 26.197 -15.646 324 2HB HIS 42 2HB HIS 42 0.333 24.603 -14.958 325 HD1 HIS 42 HD1 HIS 42 1.596 25.017 -12.356 326 HD2 HIS 42 HD2 HIS 42 -1.425 27.575 -13.729 327 HE1 HIS 42 HE1 HIS 42 0.581 26.164 -10.312 328 H LEU 43 H LEU 43 1.933 26.761 -17.635 329 HA LEU 43 HA LEU 43 2.365 24.142 -18.841 330 1HB LEU 43 1HB LEU 43 1.205 26.380 -19.876 331 2HB LEU 43 2HB LEU 43 2.853 26.584 -20.491 332 HG LEU 43 HG LEU 43 2.584 24.012 -21.074 333 1HD1 LEU 43 1HD1 LEU 43 0.317 23.799 -19.930 334 2HD1 LEU 43 2HD1 LEU 43 -0.340 24.971 -21.089 335 3HD1 LEU 43 3HD1 LEU 43 0.236 23.395 -21.655 336 1HD2 LEU 43 1HD2 LEU 43 1.161 26.211 -22.644 337 2HD2 LEU 43 2HD2 LEU 43 2.852 25.669 -22.828 338 3HD2 LEU 43 3HD2 LEU 43 1.522 24.594 -23.285 339 H THR 44 H THR 44 4.310 27.090 -18.208 340 HA THR 44 HA THR 44 6.686 26.335 -19.413 341 HB THR 44 HB THR 44 6.445 27.947 -16.879 342 HG1 THR 44 HG1 THR 44 6.689 28.535 -19.651 343 1HG2 THR 44 1HG2 THR 44 8.786 27.493 -18.778 344 2HG2 THR 44 2HG2 THR 44 8.689 28.794 -17.572 345 3HG2 THR 44 3HG2 THR 44 8.734 27.108 -17.042 346 H ASN 45 H ASN 45 5.344 25.342 -16.332 347 HA ASN 45 HA ASN 45 7.620 23.877 -15.319 348 1HB ASN 45 1HB ASN 45 4.678 23.850 -14.601 349 2HB ASN 45 2HB ASN 45 5.802 22.645 -13.972 350 1HD2 ASN 45 2HD2 ASN 45 5.043 26.124 -13.969 351 2HD2 ASN 45 1HD2 ASN 45 5.950 26.499 -12.534 352 H ALA 46 H ALA 46 4.661 22.931 -17.146 353 HA ALA 46 HA ALA 46 5.179 20.200 -17.292 354 1HB ALA 46 1HB ALA 46 3.059 21.302 -17.912 355 2HB ALA 46 2HB ALA 46 3.788 21.876 -19.420 356 3HB ALA 46 3HB ALA 46 3.594 20.144 -19.119 357 H ILE 47 H ILE 47 6.305 22.849 -19.451 358 HA ILE 47 HA ILE 47 7.895 21.191 -21.167 359 HB ILE 47 HB ILE 47 8.169 24.129 -20.482 360 1HG1 ILE 47 1HG1 ILE 47 7.469 24.370 -22.974 361 2HG1 ILE 47 2HG1 ILE 47 6.961 22.674 -22.891 362 1HG2 ILE 47 1HG2 ILE 47 9.848 22.588 -22.406 363 2HG2 ILE 47 2HG2 ILE 47 9.707 24.363 -22.392 364 3HG2 ILE 47 3HG2 ILE 47 10.371 23.540 -21.010 365 1HD1 ILE 47 1HD1 ILE 47 5.968 24.901 -21.093 366 2HD1 ILE 47 2HD1 ILE 47 5.159 24.398 -22.580 367 3HD1 ILE 47 3HD1 ILE 47 5.288 23.239 -21.259 368 H ALA 48 H ALA 48 8.633 22.766 -18.148 369 HA ALA 48 HA ALA 48 11.446 22.443 -18.224 370 1HB ALA 48 1HB ALA 48 10.305 24.022 -16.693 371 2HB ALA 48 2HB ALA 48 9.713 22.642 -15.734 372 3HB ALA 48 3HB ALA 48 11.450 22.956 -15.858 373 H VAL 49 H VAL 49 8.868 20.261 -17.257 374 HA VAL 49 HA VAL 49 10.903 18.279 -16.360 375 HB VAL 49 HB VAL 49 9.188 17.161 -15.295 376 1HG1 VAL 49 1HG1 VAL 49 10.183 19.394 -14.409 377 2HG1 VAL 49 2HG1 VAL 49 8.593 20.092 -14.743 378 3HG1 VAL 49 3HG1 VAL 49 8.759 18.759 -13.593 379 1HG2 VAL 49 1HG2 VAL 49 7.328 17.643 -17.036 380 2HG2 VAL 49 2HG2 VAL 49 6.889 17.545 -15.344 381 3HG2 VAL 49 3HG2 VAL 49 7.039 19.132 -16.112 382 H CYS 50 H CYS 50 9.026 19.087 -19.174 383 HA CYS 50 HA CYS 50 9.016 16.271 -20.111 384 1HB CYS 50 1HB CYS 50 7.110 17.556 -20.604 385 2HB CYS 50 2HB CYS 50 8.056 18.851 -21.376 386 HG CYS 50 HG CYS 50 7.959 15.662 -22.218 387 H GLY 51 H GLY 51 10.460 19.424 -21.137 388 1HA GLY 51 1HA GLY 51 12.624 19.805 -21.856 389 2HA GLY 51 2HA GLY 51 12.954 18.069 -21.937 390 H GLN 52 H GLN 52 10.076 18.367 -23.466 391 HA GLN 52 HA GLN 52 11.192 18.915 -26.234 392 1HB GLN 52 1HB GLN 52 10.839 16.484 -25.612 393 2HB GLN 52 2HB GLN 52 9.118 16.851 -25.517 394 1HG GLN 52 1HG GLN 52 9.532 16.040 -27.728 395 2HG GLN 52 2HG GLN 52 9.292 17.795 -27.868 396 1HE2 GLN 52 2HE2 GLN 52 10.350 17.613 -29.983 397 2HE2 GLN 52 1HE2 GLN 52 12.099 17.561 -30.041 398 HA PRO 53 HA PRO 53 7.688 21.712 -24.751 399 1HB PRO 53 1HB PRO 53 8.611 24.006 -26.097 400 2HB PRO 53 2HB PRO 53 8.958 23.582 -24.409 401 1HG PRO 53 1HG PRO 53 10.682 23.006 -26.815 402 2HG PRO 53 2HG PRO 53 11.167 23.710 -25.246 403 1HD PRO 53 1HD PRO 53 11.578 21.142 -25.658 404 2HD PRO 53 2HD PRO 53 10.836 21.652 -24.121 405 H GLN 54 H GLN 54 9.263 21.877 -27.893 406 HA GLN 54 HA GLN 54 7.055 22.745 -29.423 407 1HB GLN 54 1HB GLN 54 9.337 20.923 -30.354 408 2HB GLN 54 2HB GLN 54 8.316 21.948 -31.374 409 1HG GLN 54 1HG GLN 54 9.279 23.981 -30.193 410 2HG GLN 54 2HG GLN 54 10.388 22.912 -29.323 411 1HE2 GLN 54 2HE2 GLN 54 11.496 24.903 -30.778 412 2HE2 GLN 54 1HE2 GLN 54 12.241 24.242 -32.218 413 H GLN 55 H GLN 55 8.016 19.363 -28.749 414 HA GLN 55 HA GLN 55 5.931 18.250 -30.319 415 1HB GLN 55 1HB GLN 55 7.793 16.862 -29.319 416 2HB GLN 55 2HB GLN 55 7.066 17.118 -27.724 417 1HG GLN 55 1HG GLN 55 6.490 14.942 -28.479 418 2HG GLN 55 2HG GLN 55 5.026 15.920 -28.442 419 1HE2 GLN 55 2HE2 GLN 55 7.162 16.540 -31.192 420 2HE2 GLN 55 1HE2 GLN 55 6.241 15.592 -32.341 421 H LEU 56 H LEU 56 5.966 19.295 -26.925 422 HA LEU 56 HA LEU 56 3.315 18.583 -26.513 423 1HB LEU 56 1HB LEU 56 4.885 18.982 -24.646 424 2HB LEU 56 2HB LEU 56 4.831 20.716 -24.994 425 HG LEU 56 HG LEU 56 2.373 20.704 -24.520 426 1HD1 LEU 56 1HD1 LEU 56 2.603 17.815 -24.581 427 2HD1 LEU 56 2HD1 LEU 56 2.255 18.278 -22.930 428 3HD1 LEU 56 3HD1 LEU 56 1.176 18.780 -24.190 429 1HD2 LEU 56 1HD2 LEU 56 4.263 19.750 -22.362 430 2HD2 LEU 56 2HD2 LEU 56 3.987 21.419 -22.887 431 3HD2 LEU 56 3HD2 LEU 56 2.687 20.529 -22.072 432 H LEU 57 H LEU 57 4.740 21.647 -27.699 433 HA LEU 57 HA LEU 57 2.210 23.064 -27.660 434 1HB LEU 57 1HB LEU 57 4.529 23.660 -29.529 435 2HB LEU 57 2HB LEU 57 3.204 24.721 -29.048 436 HG LEU 57 HG LEU 57 5.637 23.898 -27.465 437 1HD1 LEU 57 1HD1 LEU 57 5.676 25.899 -28.919 438 2HD1 LEU 57 2HD1 LEU 57 4.483 26.637 -27.821 439 3HD1 LEU 57 3HD1 LEU 57 6.071 26.165 -27.211 440 1HD2 LEU 57 1HD2 LEU 57 3.137 25.135 -26.227 441 2HD2 LEU 57 2HD2 LEU 57 3.829 23.550 -25.820 442 3HD2 LEU 57 3HD2 LEU 57 4.727 25.018 -25.452 443 H GLN 58 H GLN 58 3.670 20.928 -30.086 444 HA GLN 58 HA GLN 58 1.592 21.385 -32.045 445 1HB GLN 58 1HB GLN 58 3.744 19.318 -31.620 446 2HB GLN 58 2HB GLN 58 2.415 18.977 -32.731 447 1HG GLN 58 1HG GLN 58 4.303 19.917 -33.932 448 2HG GLN 58 2HG GLN 58 2.880 20.949 -34.060 449 1HE2 GLN 58 2HE2 GLN 58 2.832 22.969 -32.720 450 2HE2 GLN 58 1HE2 GLN 58 4.361 23.711 -32.298 451 H VAL 59 H VAL 59 2.043 19.041 -29.413 452 HA VAL 59 HA VAL 59 -0.335 17.615 -29.923 453 HB VAL 59 HB VAL 59 1.786 17.151 -28.309 454 1HG1 VAL 59 1HG1 VAL 59 -0.517 17.802 -26.372 455 2HG1 VAL 59 2HG1 VAL 59 0.899 16.825 -25.954 456 3HG1 VAL 59 3HG1 VAL 59 1.068 18.509 -26.367 457 1HG2 VAL 59 1HG2 VAL 59 -0.751 15.716 -28.227 458 2HG2 VAL 59 2HG2 VAL 59 0.682 15.487 -29.255 459 3HG2 VAL 59 3HG2 VAL 59 0.813 15.242 -27.505 460 H LEU 60 H LEU 60 0.189 20.578 -28.164 461 HA LEU 60 HA LEU 60 -2.497 20.638 -26.930 462 1HB LEU 60 1HB LEU 60 -0.179 22.554 -27.383 463 2HB LEU 60 2HB LEU 60 -1.739 23.222 -26.984 464 HG LEU 60 HG LEU 60 0.124 22.789 -25.203 465 1HD1 LEU 60 1HD1 LEU 60 -2.872 22.280 -24.759 466 2HD1 LEU 60 2HD1 LEU 60 -1.733 22.690 -23.464 467 3HD1 LEU 60 3HD1 LEU 60 -2.071 23.864 -24.749 468 1HD2 LEU 60 1HD2 LEU 60 0.190 20.317 -25.469 469 2HD2 LEU 60 2HD2 LEU 60 -0.180 20.840 -23.825 470 3HD2 LEU 60 3HD2 LEU 60 -1.468 20.203 -24.862 471 H GLN 61 H GLN 61 -0.884 21.868 -29.857 472 HA GLN 61 HA GLN 61 -3.140 23.413 -30.764 473 1HB GLN 61 1HB GLN 61 -1.016 24.022 -31.603 474 2HB GLN 61 2HB GLN 61 -0.640 22.374 -32.130 475 1HG GLN 61 1HG GLN 61 -2.215 22.533 -33.977 476 2HG GLN 61 2HG GLN 61 -2.757 24.127 -33.417 477 1HE2 GLN 61 2HE2 GLN 61 -1.905 25.696 -34.748 478 2HE2 GLN 61 1HE2 GLN 61 -0.271 25.678 -35.383 479 H GLN 62 H GLN 62 -2.361 20.014 -30.948 480 HA GLN 62 HA GLN 62 -4.141 19.407 -33.130 481 1HB GLN 62 1HB GLN 62 -3.245 17.387 -33.080 482 2HB GLN 62 2HB GLN 62 -2.090 18.069 -31.962 483 1HG GLN 62 1HG GLN 62 -2.718 16.030 -31.009 484 2HG GLN 62 2HG GLN 62 -3.588 17.217 -30.049 485 1HE2 GLN 62 2HE2 GLN 62 -4.127 15.396 -33.146 486 2HE2 GLN 62 1HE2 GLN 62 -5.741 14.863 -32.724 487 H THR 63 H THR 63 -4.434 19.475 -29.577 488 HA THR 63 HA THR 63 -7.125 18.362 -29.703 489 HB THR 63 HB THR 63 -5.904 17.680 -27.923 490 HG1 THR 63 HG1 THR 63 -8.230 18.511 -27.745 491 1HG2 THR 63 1HG2 THR 63 -5.485 20.558 -27.112 492 2HG2 THR 63 2HG2 THR 63 -5.292 19.181 -26.015 493 3HG2 THR 63 3HG2 THR 63 -4.280 19.299 -27.464 494 H LEU 64 H LEU 64 -5.715 21.563 -29.273 495 HA LEU 64 HA LEU 64 -8.078 22.792 -30.360 496 1HB LEU 64 1HB LEU 64 -8.597 24.173 -28.222 497 2HB LEU 64 2HB LEU 64 -9.249 22.550 -28.399 498 HG LEU 64 HG LEU 64 -7.592 21.656 -26.829 499 1HD1 LEU 64 1HD1 LEU 64 -6.583 24.534 -26.698 500 2HD1 LEU 64 2HD1 LEU 64 -6.275 23.333 -25.428 501 3HD1 LEU 64 3HD1 LEU 64 -5.645 23.058 -27.046 502 1HD2 LEU 64 1HD2 LEU 64 -9.763 22.511 -26.041 503 2HD2 LEU 64 2HD2 LEU 64 -8.491 22.723 -24.825 504 3HD2 LEU 64 3HD2 LEU 64 -9.040 24.115 -25.785 505 HA PRO 65 HA PRO 65 -5.161 25.998 -31.140 506 1HB PRO 65 1HB PRO 65 -6.699 28.248 -31.409 507 2HB PRO 65 2HB PRO 65 -6.642 26.926 -32.608 508 1HG PRO 65 1HG PRO 65 -8.703 27.347 -30.431 509 2HG PRO 65 2HG PRO 65 -8.985 26.990 -32.158 510 1HD PRO 65 1HD PRO 65 -9.041 25.035 -30.279 511 2HD PRO 65 2HD PRO 65 -8.323 24.727 -31.884 512 HA PRO 66 HA PRO 66 -4.959 27.296 -26.711 513 1HB PRO 66 1HB PRO 66 -2.388 27.250 -26.315 514 2HB PRO 66 2HB PRO 66 -3.284 25.779 -26.716 515 1HG PRO 66 1HG PRO 66 -1.639 27.405 -28.687 516 2HG PRO 66 2HG PRO 66 -1.629 25.649 -28.404 517 1HD PRO 66 1HD PRO 66 -3.135 27.030 -30.324 518 2HD PRO 66 2HD PRO 66 -3.500 25.407 -29.698 519 HA PRO 67 HA PRO 67 -4.434 31.710 -27.858 520 1HB PRO 67 1HB PRO 67 -5.983 32.847 -25.945 521 2HB PRO 67 2HB PRO 67 -6.690 32.000 -27.353 522 1HG PRO 67 1HG PRO 67 -6.309 30.923 -24.553 523 2HG PRO 67 2HG PRO 67 -7.749 30.806 -25.593 524 1HD PRO 67 1HD PRO 67 -5.882 28.793 -25.370 525 2HD PRO 67 2HD PRO 67 -6.827 29.087 -26.858 526 H VAL 68 H VAL 68 -4.295 30.210 -24.664 527 HA VAL 68 HA VAL 68 -2.727 32.037 -23.212 528 HB VAL 68 HB VAL 68 -3.002 28.991 -23.034 529 1HG1 VAL 68 1HG1 VAL 68 -1.448 30.860 -21.220 530 2HG1 VAL 68 2HG1 VAL 68 -1.936 29.192 -20.814 531 3HG1 VAL 68 3HG1 VAL 68 -0.814 29.472 -22.143 532 1HG2 VAL 68 1HG2 VAL 68 -4.984 30.487 -22.501 533 2HG2 VAL 68 2HG2 VAL 68 -4.392 29.570 -21.123 534 3HG2 VAL 68 3HG2 VAL 68 -3.983 31.285 -21.272 535 H PHE 69 H PHE 69 -1.750 29.301 -25.210 536 HA PHE 69 HA PHE 69 1.075 29.304 -25.117 537 1HB PHE 69 1HB PHE 69 0.065 27.613 -26.320 538 2HB PHE 69 2HB PHE 69 -1.028 28.742 -27.097 539 HD1 PHE 69 HD1 PHE 69 -0.474 30.093 -29.009 540 HD2 PHE 69 HD2 PHE 69 2.114 26.993 -27.522 541 HE1 PHE 69 HE1 PHE 69 0.701 30.046 -31.195 542 HE2 PHE 69 HE2 PHE 69 3.291 26.947 -29.740 543 HZ PHE 69 HZ PHE 69 2.586 28.464 -31.554 544 H GLN 70 H GLN 70 -1.026 31.435 -27.004 545 HA GLN 70 HA GLN 70 1.073 32.760 -28.381 546 1HB GLN 70 1HB GLN 70 -1.396 32.794 -28.981 547 2HB GLN 70 2HB GLN 70 -1.600 34.052 -27.746 548 1HG GLN 70 1HG GLN 70 0.021 35.487 -28.943 549 2HG GLN 70 2HG GLN 70 0.303 34.198 -30.124 550 1HE2 GLN 70 2HE2 GLN 70 -2.409 36.118 -28.685 551 2HE2 GLN 70 1HE2 GLN 70 -3.300 36.261 -30.188 552 H MET 71 H MET 71 -0.251 33.349 -25.086 553 HA MET 71 HA MET 71 1.209 35.808 -24.808 554 1HB MET 71 1HB MET 71 -0.907 35.996 -23.947 555 2HB MET 71 2HB MET 71 -1.009 34.313 -23.404 556 1HG MET 71 1HG MET 71 0.253 34.634 -21.561 557 2HG MET 71 2HG MET 71 1.027 36.109 -22.212 558 1HE MET 71 1HE MET 71 -2.788 35.220 -21.826 559 2HE MET 71 2HE MET 71 -2.021 34.705 -20.298 560 3HE MET 71 3HE MET 71 -3.147 36.092 -20.318 561 H LEU 72 H LEU 72 1.346 32.330 -23.931 562 HA LEU 72 HA LEU 72 3.263 32.515 -21.877 563 1HB LEU 72 1HB LEU 72 2.425 30.377 -21.915 564 2HB LEU 72 2HB LEU 72 2.156 30.434 -23.644 565 HG LEU 72 HG LEU 72 4.560 30.011 -24.043 566 1HD1 LEU 72 1HD1 LEU 72 5.434 30.680 -21.730 567 2HD1 LEU 72 2HD1 LEU 72 4.585 29.273 -21.066 568 3HD1 LEU 72 3HD1 LEU 72 5.916 29.048 -22.212 569 1HD2 LEU 72 1HD2 LEU 72 2.962 27.989 -22.463 570 2HD2 LEU 72 2HD2 LEU 72 2.939 28.230 -24.223 571 3HD2 LEU 72 3HD2 LEU 72 4.395 27.597 -23.442 572 H LEU 73 H LEU 73 3.452 32.268 -25.334 573 HA LEU 73 HA LEU 73 6.335 32.267 -25.488 574 1HB LEU 73 1HB LEU 73 4.241 33.033 -27.546 575 2HB LEU 73 2HB LEU 73 5.937 32.728 -27.930 576 HG LEU 73 HG LEU 73 4.147 30.525 -26.750 577 1HD1 LEU 73 1HD1 LEU 73 4.729 31.373 -29.597 578 2HD1 LEU 73 2HD1 LEU 73 3.941 29.850 -29.101 579 3HD1 LEU 73 3HD1 LEU 73 3.155 31.409 -28.771 580 1HD2 LEU 73 1HD2 LEU 73 6.775 30.381 -28.176 581 2HD2 LEU 73 2HD2 LEU 73 6.474 30.105 -26.435 582 3HD2 LEU 73 3HD2 LEU 73 5.740 29.033 -27.634 583 H THR 74 H THR 74 4.130 34.772 -24.940 584 HA THR 74 HA THR 74 6.079 36.816 -25.760 585 HB THR 74 HB THR 74 3.563 36.864 -26.414 586 HG1 THR 74 HG1 THR 74 5.217 39.041 -25.720 587 1HG2 THR 74 1HG2 THR 74 2.838 37.136 -23.973 588 2HG2 THR 74 2HG2 THR 74 3.707 38.679 -23.972 589 3HG2 THR 74 3HG2 THR 74 2.333 38.429 -25.081 590 H LYS 75 H LYS 75 4.840 35.137 -22.942 591 HA LYS 75 HA LYS 75 5.710 37.196 -21.084 592 1HB LYS 75 1HB LYS 75 4.155 34.793 -20.973 593 2HB LYS 75 2HB LYS 75 5.629 34.427 -20.079 594 1HG LYS 75 1HG LYS 75 4.202 35.074 -18.500 595 2HG LYS 75 2HG LYS 75 5.227 36.501 -18.754 596 1HD LYS 75 1HD LYS 75 3.372 37.541 -20.107 597 2HD LYS 75 2HD LYS 75 2.421 36.057 -19.970 598 1HE LYS 75 1HE LYS 75 2.043 36.457 -17.551 599 2HE LYS 75 2HE LYS 75 3.030 37.928 -17.611 600 1HZ LYS 75 1HZ LYS 75 0.533 37.459 -19.045 601 2HZ LYS 75 2HZ LYS 75 0.757 38.363 -17.696 602 3HZ LYS 75 3HZ LYS 75 1.446 38.840 -19.119 603 H LEU 76 H LEU 76 7.017 34.170 -22.426 604 HA LEU 76 HA LEU 76 9.314 33.851 -20.894 605 1HB LEU 76 1HB LEU 76 8.688 33.220 -23.791 606 2HB LEU 76 2HB LEU 76 10.255 32.800 -23.085 607 HG LEU 76 HG LEU 76 7.567 31.760 -22.013 608 1HD1 LEU 76 1HD1 LEU 76 9.465 30.534 -24.029 609 2HD1 LEU 76 2HD1 LEU 76 8.087 29.718 -23.253 610 3HD1 LEU 76 3HD1 LEU 76 7.812 31.095 -24.319 611 1HD2 LEU 76 1HD2 LEU 76 10.448 30.801 -21.641 612 2HD2 LEU 76 2HD2 LEU 76 9.472 31.612 -20.400 613 3HD2 LEU 76 3HD2 LEU 76 8.988 30.021 -21.001 614 HA PRO 77 HA PRO 77 12.051 36.787 -23.301 615 1HB PRO 77 1HB PRO 77 11.131 38.343 -25.348 616 2HB PRO 77 2HB PRO 77 11.625 36.643 -25.607 617 1HG PRO 77 1HG PRO 77 8.821 37.709 -25.152 618 2HG PRO 77 2HG PRO 77 9.376 36.613 -26.455 619 1HD PRO 77 1HD PRO 77 8.215 35.653 -24.161 620 2HD PRO 77 2HD PRO 77 9.579 34.790 -24.942 621 H THR 78 H THR 78 12.429 38.880 -22.505 622 HA THR 78 HA THR 78 10.177 40.661 -21.829 623 HB THR 78 HB THR 78 10.696 38.914 -20.009 624 HG1 THR 78 HG1 THR 78 9.945 40.393 -18.538 625 1HG2 THR 78 1HG2 THR 78 13.071 39.127 -19.696 626 2HG2 THR 78 2HG2 THR 78 12.885 40.843 -19.221 627 3HG2 THR 78 3HG2 THR 78 12.192 39.556 -18.230 628 H ILE 79 H ILE 79 13.584 40.040 -21.469 629 HA ILE 79 HA ILE 79 14.559 42.623 -21.313 630 HB ILE 79 HB ILE 79 15.981 40.338 -22.752 631 1HG1 ILE 79 1HG1 ILE 79 17.130 40.389 -20.249 632 2HG1 ILE 79 2HG1 ILE 79 15.461 40.767 -19.828 633 1HG2 ILE 79 1HG2 ILE 79 17.082 42.818 -21.383 634 2HG2 ILE 79 2HG2 ILE 79 18.054 41.483 -22.040 635 3HG2 ILE 79 3HG2 ILE 79 17.083 42.472 -23.127 636 1HD1 ILE 79 1HD1 ILE 79 14.815 38.687 -21.220 637 2HD1 ILE 79 2HD1 ILE 79 16.550 38.388 -21.371 638 3HD1 ILE 79 3HD1 ILE 79 15.782 38.387 -19.764 639 H SER 80 H SER 80 13.974 40.780 -24.251 640 HA SER 80 HA SER 80 14.870 42.635 -26.148 641 1HB SER 80 1HB SER 80 14.173 40.327 -26.710 642 2HB SER 80 2HB SER 80 12.475 40.750 -26.389 643 HG SER 80 HG SER 80 13.027 40.912 -28.613 644 H GLN 81 H GLN 81 11.549 42.360 -24.746 645 HA GLN 81 HA GLN 81 10.487 44.556 -26.114 646 1HB GLN 81 1HB GLN 81 9.691 43.571 -23.347 647 2HB GLN 81 2HB GLN 81 8.799 44.701 -24.367 648 1HG GLN 81 1HG GLN 81 7.691 42.841 -25.007 649 2HG GLN 81 2HG GLN 81 9.003 42.724 -26.177 650 1HE2 GLN 81 2HE2 GLN 81 7.311 41.116 -23.668 651 2HE2 GLN 81 1HE2 GLN 81 8.428 39.788 -23.434 652 H ARG 82 H ARG 82 12.387 44.452 -23.147 653 HA ARG 82 HA ARG 82 11.980 47.187 -22.425 654 1HB ARG 82 1HB ARG 82 12.970 45.352 -20.970 655 2HB ARG 82 2HB ARG 82 14.514 45.655 -21.804 656 1HG ARG 82 1HG ARG 82 14.277 48.095 -21.110 657 2HG ARG 82 2HG ARG 82 12.905 47.600 -20.106 658 1HD ARG 82 1HD ARG 82 15.780 46.599 -19.929 659 2HD ARG 82 2HD ARG 82 14.988 47.718 -18.799 660 HE ARG 82 HE ARG 82 13.385 45.440 -18.829 661 1HH1 ARG 82 1HH1 ARG 82 16.730 46.207 -17.956 662 2HH1 ARG 82 2HH1 ARG 82 16.876 44.912 -16.801 663 1HH2 ARG 82 1HH2 ARG 82 13.573 43.723 -17.312 664 2HH2 ARG 82 2HH2 ARG 82 15.055 43.483 -16.432 665 H ILE 83 H ILE 83 14.489 45.656 -24.566 666 HA ILE 83 HA ILE 83 15.991 48.040 -24.854 667 HB ILE 83 HB ILE 83 15.710 45.931 -27.062 668 1HG1 ILE 83 1HG1 ILE 83 16.003 44.544 -25.423 669 2HG1 ILE 83 2HG1 ILE 83 17.596 44.783 -26.160 670 1HG2 ILE 83 1HG2 ILE 83 17.033 47.952 -27.653 671 2HG2 ILE 83 2HG2 ILE 83 18.101 47.642 -26.269 672 3HG2 ILE 83 3HG2 ILE 83 18.015 46.494 -27.614 673 1HD1 ILE 83 1HD1 ILE 83 18.191 46.252 -24.208 674 2HD1 ILE 83 2HD1 ILE 83 16.645 45.773 -23.447 675 3HD1 ILE 83 3HD1 ILE 83 17.873 44.550 -23.801 676 H VAL 84 H VAL 84 13.480 46.557 -26.886 677 HA VAL 84 HA VAL 84 13.373 48.680 -28.791 678 HB VAL 84 HB VAL 84 11.110 46.797 -28.009 679 1HG1 VAL 84 1HG1 VAL 84 11.555 48.410 -30.550 680 2HG1 VAL 84 2HG1 VAL 84 10.289 47.185 -30.320 681 3HG1 VAL 84 3HG1 VAL 84 10.266 48.661 -29.350 682 1HG2 VAL 84 1HG2 VAL 84 13.152 45.526 -28.718 683 2HG2 VAL 84 2HG2 VAL 84 11.853 45.389 -29.904 684 3HG2 VAL 84 3HG2 VAL 84 13.212 46.490 -30.205 685 H SER 85 H SER 85 11.593 48.269 -25.794 686 HA SER 85 HA SER 85 10.139 50.742 -26.135 687 1HB SER 85 1HB SER 85 10.502 49.045 -23.649 688 2HB SER 85 2HB SER 85 9.276 50.307 -23.914 689 HG SER 85 HG SER 85 9.551 47.824 -25.251 690 H ALA 86 H ALA 86 12.829 51.289 -26.480 691 HA ALA 86 HA ALA 86 13.260 53.405 -24.610 692 1HB ALA 86 1HB ALA 86 15.166 51.020 -24.431 693 2HB ALA 86 2HB ALA 86 15.453 52.617 -23.709 694 3HB ALA 86 3HB ALA 86 14.110 51.617 -23.138 695 H GLN 87 H GLN 87 15.073 51.213 -26.760 696 HA GLN 87 HA GLN 87 16.943 53.016 -27.742 697 1HB GLN 87 1HB GLN 87 17.004 50.580 -28.036 698 2HB GLN 87 2HB GLN 87 15.771 50.672 -29.295 699 1HG GLN 87 1HG GLN 87 18.457 52.126 -29.387 700 2HG GLN 87 2HG GLN 87 18.189 50.510 -30.042 701 1HE2 GLN 87 2HE2 GLN 87 16.330 50.299 -31.682 702 2HE2 GLN 87 1HE2 GLN 87 16.186 51.611 -32.834 703 H SER 88 H SER 88 16.420 55.027 -28.708 704 HA SER 88 HA SER 88 15.902 56.231 -30.672 705 1HB SER 88 1HB SER 88 14.774 54.335 -31.845 706 2HB SER 88 2HB SER 88 13.282 54.748 -30.951 707 HG SER 88 HG SER 88 13.653 56.931 -31.801 708 H LEU 89 H LEU 89 14.074 55.462 -27.822 709 HA LEU 89 HA LEU 89 13.185 58.290 -27.583 710 1HB LEU 89 1HB LEU 89 11.616 55.785 -26.835 711 2HB LEU 89 2HB LEU 89 11.099 57.443 -26.513 712 HG LEU 89 HG LEU 89 11.485 56.297 -29.317 713 1HD1 LEU 89 1HD1 LEU 89 9.698 55.113 -28.117 714 2HD1 LEU 89 2HD1 LEU 89 8.942 56.663 -27.688 715 3HD1 LEU 89 3HD1 LEU 89 9.034 56.155 -29.388 716 1HD2 LEU 89 1HD2 LEU 89 10.095 58.839 -28.339 717 2HD2 LEU 89 2HD2 LEU 89 11.630 58.786 -29.229 718 3HD2 LEU 89 3HD2 LEU 89 10.138 58.253 -30.012 719 H GLY 90 H GLY 90 15.598 57.280 -26.765 720 1HA GLY 90 1HA GLY 90 15.366 57.418 -23.790 721 2HA GLY 90 2HA GLY 90 16.360 56.176 -24.578 722 H GLU 91 H GLU 91 17.986 57.402 -23.166 723 HA GLU 91 HA GLU 91 18.862 60.004 -24.081 724 1HB GLU 91 1HB GLU 91 20.747 59.627 -22.505 725 2HB GLU 91 2HB GLU 91 19.154 59.510 -21.763 726 1HG GLU 91 1HG GLU 91 20.592 56.991 -22.674 727 2HG GLU 91 2HG GLU 91 21.020 57.785 -21.158 728 H ASP 92 H ASP 92 21.213 60.347 -24.735 729 HA ASP 92 HA ASP 92 22.069 58.341 -26.766 730 1HB ASP 92 1HB ASP 92 22.368 61.376 -26.683 731 2HB ASP 92 2HB ASP 92 23.067 60.316 -27.912 732 H ASP 93 H ASP 93 24.498 58.301 -27.093 733 HA ASP 93 HA ASP 93 25.847 58.190 -24.558 734 1HB ASP 93 1HB ASP 93 26.840 57.829 -27.416 735 2HB ASP 93 2HB ASP 93 27.806 57.516 -25.965 736 H VAL 94 H VAL 94 27.783 59.463 -23.991 737 HA VAL 94 HA VAL 94 28.611 61.466 -23.487 738 HB VAL 94 HB VAL 94 30.187 60.435 -24.856 739 1HG1 VAL 94 1HG1 VAL 94 29.008 61.714 -27.348 740 2HG1 VAL 94 2HG1 VAL 94 30.580 60.917 -27.225 741 3HG1 VAL 94 3HG1 VAL 94 29.104 59.996 -26.936 742 1HG2 VAL 94 1HG2 VAL 94 30.676 62.696 -23.981 743 2HG2 VAL 94 2HG2 VAL 94 31.633 62.211 -25.388 744 3HG2 VAL 94 3HG2 VAL 94 30.321 63.374 -25.583 745 H GLU 95 H GLU 95 28.537 63.270 -26.406 746 HA GLU 95 HA GLU 95 25.975 64.483 -26.164 747 1HB GLU 95 1HB GLU 95 27.130 65.451 -24.141 748 2HB GLU 95 2HB GLU 95 28.418 66.048 -25.195 749 1HG GLU 95 1HG GLU 95 26.780 67.482 -26.375 750 2HG GLU 95 2HG GLU 95 25.475 66.819 -25.381 751 1H GLY 1 1H GLY 1 -10.462 24.763 -21.292 752 2H GLY 1 2H GLY 1 -9.917 24.271 -22.982 753 3H GLY 1 3H GLY 1 -10.150 25.368 -22.386 754 1HA GLY 1 1HA GLY 1 -11.465 23.198 -22.061 755 2HA GLY 1 2HA GLY 1 -9.934 22.473 -22.526 756 HA PRO 2 HA PRO 2 -10.015 22.914 -17.662 757 1HB PRO 2 1HB PRO 2 -12.350 21.713 -16.637 758 2HB PRO 2 2HB PRO 2 -11.994 23.454 -16.702 759 1HG PRO 2 1HG PRO 2 -13.584 21.787 -18.641 760 2HG PRO 2 2HG PRO 2 -13.957 23.429 -18.039 761 1HD PRO 2 1HD PRO 2 -12.902 23.018 -20.474 762 2HD PRO 2 2HD PRO 2 -12.331 24.405 -19.495 763 H ARG 3 H ARG 3 -8.720 21.356 -17.002 764 HA ARG 3 HA ARG 3 -7.678 19.396 -16.753 765 1HB ARG 3 1HB ARG 3 -10.479 18.203 -16.811 766 2HB ARG 3 2HB ARG 3 -9.009 17.400 -16.242 767 1HG ARG 3 1HG ARG 3 -8.666 19.257 -14.582 768 2HG ARG 3 2HG ARG 3 -10.204 19.968 -15.106 769 1HD ARG 3 1HD ARG 3 -11.356 17.856 -14.459 770 2HD ARG 3 2HD ARG 3 -9.818 17.268 -13.770 771 HE ARG 3 HE ARG 3 -10.081 19.746 -12.646 772 1HH1 ARG 3 1HH1 ARG 3 -12.110 16.861 -12.614 773 2HH1 ARG 3 2HH1 ARG 3 -13.091 17.390 -11.272 774 1HH2 ARG 3 1HH2 ARG 3 -11.447 20.539 -11.035 775 2HH2 ARG 3 2HH2 ARG 3 -12.642 19.502 -10.282 776 H LEU 4 H LEU 4 -7.062 20.207 -18.979 777 HA LEU 4 HA LEU 4 -7.832 18.869 -21.349 778 1HB LEU 4 1HB LEU 4 -6.666 20.989 -21.236 779 2HB LEU 4 2HB LEU 4 -5.236 20.235 -20.520 780 HG LEU 4 HG LEU 4 -6.195 19.239 -23.209 781 1HD1 LEU 4 1HD1 LEU 4 -6.224 21.753 -23.350 782 2HD1 LEU 4 2HD1 LEU 4 -4.517 21.763 -22.858 783 3HD1 LEU 4 3HD1 LEU 4 -4.986 20.998 -24.378 784 1HD2 LEU 4 1HD2 LEU 4 -4.130 18.226 -22.078 785 2HD2 LEU 4 2HD2 LEU 4 -3.782 18.994 -23.623 786 3HD2 LEU 4 3HD2 LEU 4 -3.395 19.840 -22.139 787 H SER 5 H SER 5 -7.553 16.762 -21.842 788 HA SER 5 HA SER 5 -5.030 15.414 -21.490 789 1HB SER 5 1HB SER 5 -5.967 13.515 -20.103 790 2HB SER 5 2HB SER 5 -5.660 15.019 -19.251 791 HG SER 5 HG SER 5 -7.735 14.112 -18.778 792 H ARG 6 H ARG 6 -7.240 16.111 -23.537 793 HA ARG 6 HA ARG 6 -8.372 13.689 -24.442 794 1HB ARG 6 1HB ARG 6 -8.974 16.033 -25.169 795 2HB ARG 6 2HB ARG 6 -7.506 16.058 -26.160 796 1HG ARG 6 1HG ARG 6 -8.355 13.996 -27.350 797 2HG ARG 6 2HG ARG 6 -9.829 14.092 -26.367 798 1HD ARG 6 1HD ARG 6 -10.212 16.414 -27.277 799 2HD ARG 6 2HD ARG 6 -8.851 16.180 -28.378 800 HE ARG 6 HE ARG 6 -11.547 15.105 -28.553 801 1HH1 ARG 6 1HH1 ARG 6 -8.200 14.528 -29.591 802 2HH1 ARG 6 2HH1 ARG 6 -8.651 13.431 -30.866 803 1HH2 ARG 6 1HH2 ARG 6 -12.129 13.693 -30.250 804 2HH2 ARG 6 2HH2 ARG 6 -10.911 12.983 -31.271 805 H LEU 7 H LEU 7 -5.381 15.392 -25.504 806 HA LEU 7 HA LEU 7 -4.434 13.098 -27.048 807 1HB LEU 7 1HB LEU 7 -2.509 14.289 -27.504 808 2HB LEU 7 2HB LEU 7 -3.911 15.309 -27.769 809 HG LEU 7 HG LEU 7 -2.168 16.601 -27.043 810 1HD1 LEU 7 1HD1 LEU 7 -4.236 17.312 -26.257 811 2HD1 LEU 7 2HD1 LEU 7 -3.944 16.635 -24.655 812 3HD1 LEU 7 3HD1 LEU 7 -2.863 17.892 -25.299 813 1HD2 LEU 7 1HD2 LEU 7 -1.743 14.921 -24.593 814 2HD2 LEU 7 2HD2 LEU 7 -0.621 15.110 -25.895 815 3HD2 LEU 7 3HD2 LEU 7 -0.999 16.460 -24.805 816 H LEU 8 H LEU 8 -3.862 14.200 -23.707 817 HA LEU 8 HA LEU 8 -1.579 12.570 -23.405 818 1HB LEU 8 1HB LEU 8 -3.369 13.639 -21.280 819 2HB LEU 8 2HB LEU 8 -1.840 12.789 -21.014 820 HG LEU 8 HG LEU 8 -1.310 15.028 -20.737 821 1HD1 LEU 8 1HD1 LEU 8 -0.174 14.294 -23.419 822 2HD1 LEU 8 2HD1 LEU 8 0.307 15.648 -22.411 823 3HD1 LEU 8 3HD1 LEU 8 0.457 13.996 -21.808 824 1HD2 LEU 8 1HD2 LEU 8 -3.054 15.689 -23.045 825 2HD2 LEU 8 2HD2 LEU 8 -3.006 16.318 -21.432 826 3HD2 LEU 8 3HD2 LEU 8 -1.758 16.775 -22.602 827 H SER 9 H SER 9 -4.812 11.490 -23.679 828 HA SER 9 HA SER 9 -4.607 9.076 -22.157 829 1HB SER 9 1HB SER 9 -6.194 9.715 -24.682 830 2HB SER 9 2HB SER 9 -6.492 8.356 -23.576 831 HG SER 9 HG SER 9 -7.786 10.301 -23.211 832 H TYR 10 H TYR 10 -2.953 10.125 -24.997 833 HA TYR 10 HA TYR 10 -2.617 7.634 -26.370 834 1HB TYR 10 1HB TYR 10 -1.125 8.886 -27.738 835 2HB TYR 10 2HB TYR 10 -2.518 9.896 -27.394 836 HD1 TYR 10 HD1 TYR 10 -0.741 10.347 -24.382 837 HD2 TYR 10 HD2 TYR 10 -0.370 11.214 -28.605 838 HE1 TYR 10 HE1 TYR 10 0.753 12.127 -23.851 839 HE2 TYR 10 HE2 TYR 10 1.156 13.043 -28.048 840 HH TYR 10 HH TYR 10 2.295 14.183 -26.369 841 H ALA 11 H ALA 11 -1.387 8.444 -23.334 842 HA ALA 11 HA ALA 11 0.905 6.627 -23.595 843 1HB ALA 11 1HB ALA 11 1.762 8.863 -24.330 844 2HB ALA 11 2HB ALA 11 1.143 9.589 -22.841 845 3HB ALA 11 3HB ALA 11 2.462 8.405 -22.768 Start of MODEL 12 1 1H ARG 1 1H ARG 1 11.192 7.480 6.791 2 2H ARG 1 2H ARG 1 9.929 8.430 7.254 3 3H ARG 1 3H ARG 1 11.132 8.082 8.323 4 HA ARG 1 HA ARG 1 10.608 5.815 8.358 5 1HB ARG 1 1HB ARG 1 8.520 5.847 9.543 6 2HB ARG 1 2HB ARG 1 9.507 7.237 9.997 7 1HG ARG 1 1HG ARG 1 8.112 8.690 8.502 8 2HG ARG 1 2HG ARG 1 7.111 7.275 8.102 9 1HD ARG 1 1HD ARG 1 6.558 6.998 10.504 10 2HD ARG 1 2HD ARG 1 7.514 8.450 10.881 11 HE ARG 1 HE ARG 1 5.613 9.112 8.879 12 1HH1 ARG 1 1HH1 ARG 1 5.695 8.208 12.302 13 2HH1 ARG 1 2HH1 ARG 1 4.232 9.056 12.708 14 1HH2 ARG 1 1HH2 ARG 1 3.671 10.234 9.410 15 2HH2 ARG 1 2HH2 ARG 1 3.072 10.219 11.042 16 H ALA 2 H ALA 2 8.675 7.586 5.901 17 HA ALA 2 HA ALA 2 8.337 5.100 4.428 18 1HB ALA 2 1HB ALA 2 6.343 5.112 5.917 19 2HB ALA 2 2HB ALA 2 5.953 6.761 5.379 20 3HB ALA 2 3HB ALA 2 5.879 5.408 4.231 21 H GLY 3 H GLY 3 7.244 5.684 2.260 22 1HA GLY 3 1HA GLY 3 8.529 8.102 1.177 23 2HA GLY 3 2HA GLY 3 7.777 6.759 0.301 24 H LEU 4 H LEU 4 6.600 8.099 -0.992 25 HA LEU 4 HA LEU 4 4.632 9.053 -1.747 26 1HB LEU 4 1HB LEU 4 3.637 7.759 0.320 27 2HB LEU 4 2HB LEU 4 3.547 9.368 1.035 28 HG LEU 4 HG LEU 4 1.930 8.172 -1.240 29 1HD1 LEU 4 1HD1 LEU 4 1.210 8.086 1.086 30 2HD1 LEU 4 2HD1 LEU 4 1.253 9.865 1.162 31 3HD1 LEU 4 3HD1 LEU 4 0.130 9.044 0.052 32 1HD2 LEU 4 1HD2 LEU 4 2.299 11.175 -0.749 33 2HD2 LEU 4 2HD2 LEU 4 2.698 10.305 -2.254 34 3HD2 LEU 4 3HD2 LEU 4 1.020 10.431 -1.730 35 H SER 5 H SER 5 4.892 11.037 -2.541 36 HA SER 5 HA SER 5 4.851 13.353 -0.927 37 1HB SER 5 1HB SER 5 7.259 12.609 -0.635 38 2HB SER 5 2HB SER 5 7.460 12.690 -2.390 39 HG SER 5 HG SER 5 6.986 14.777 -0.538 40 H LYS 6 H LYS 6 6.446 14.698 -3.222 41 HA LYS 6 HA LYS 6 4.636 14.397 -5.521 42 1HB LYS 6 1HB LYS 6 5.235 17.102 -4.184 43 2HB LYS 6 2HB LYS 6 4.363 16.834 -5.693 44 1HG LYS 6 1HG LYS 6 2.598 17.181 -4.287 45 2HG LYS 6 2HG LYS 6 2.724 15.422 -4.208 46 1HD LYS 6 1HD LYS 6 4.200 15.872 -2.054 47 2HD LYS 6 2HD LYS 6 3.696 17.546 -2.222 48 1HE LYS 6 1HE LYS 6 2.318 16.351 -0.587 49 2HE LYS 6 2HE LYS 6 1.332 16.899 -1.950 50 1HZ LYS 6 1HZ LYS 6 2.414 14.168 -1.687 51 2HZ LYS 6 2HZ LYS 6 0.890 14.611 -1.231 52 3HZ LYS 6 3HZ LYS 6 1.341 14.700 -2.810 53 H LEU 7 H LEU 7 5.929 14.782 -7.506 54 HA LEU 7 HA LEU 7 7.754 14.828 -8.680 55 1HB LEU 7 1HB LEU 7 8.304 17.243 -6.929 56 2HB LEU 7 2HB LEU 7 9.337 16.793 -8.283 57 HG LEU 7 HG LEU 7 6.377 17.496 -8.557 58 1HD1 LEU 7 1HD1 LEU 7 7.747 19.406 -7.857 59 2HD1 LEU 7 2HD1 LEU 7 8.895 19.088 -9.176 60 3HD1 LEU 7 3HD1 LEU 7 7.230 19.583 -9.541 61 1HD2 LEU 7 1HD2 LEU 7 8.583 16.949 -10.631 62 2HD2 LEU 7 2HD2 LEU 7 7.081 16.019 -10.432 63 3HD2 LEU 7 3HD2 LEU 7 7.035 17.678 -11.003 64 HA PRO 8 HA PRO 8 10.431 12.395 -5.985 65 1HB PRO 8 1HB PRO 8 10.542 10.121 -7.478 66 2HB PRO 8 2HB PRO 8 9.068 10.604 -6.619 67 1HG PRO 8 1HG PRO 8 9.724 11.094 -9.530 68 2HG PRO 8 2HG PRO 8 8.263 10.338 -8.836 69 1HD PRO 8 1HD PRO 8 8.458 13.015 -9.509 70 2HD PRO 8 2HD PRO 8 7.391 12.466 -8.192 71 H ASP 9 H ASP 9 12.347 10.797 -7.500 72 HA ASP 9 HA ASP 9 14.313 12.770 -7.979 73 1HB ASP 9 1HB ASP 9 14.614 10.279 -7.339 74 2HB ASP 9 2HB ASP 9 14.447 9.927 -9.064 75 H LEU 10 H LEU 10 11.821 11.645 -10.051 76 HA LEU 10 HA LEU 10 11.133 12.230 -12.057 77 1HB LEU 10 1HB LEU 10 13.625 13.861 -12.639 78 2HB LEU 10 2HB LEU 10 12.026 13.997 -13.366 79 HG LEU 10 HG LEU 10 12.769 14.770 -10.501 80 1HD1 LEU 10 1HD1 LEU 10 13.598 16.244 -12.252 81 2HD1 LEU 10 2HD1 LEU 10 11.963 16.364 -12.947 82 3HD1 LEU 10 3HD1 LEU 10 12.295 17.019 -11.320 83 1HD2 LEU 10 1HD2 LEU 10 10.428 13.904 -10.596 84 2HD2 LEU 10 2HD2 LEU 10 10.507 15.645 -10.305 85 3HD2 LEU 10 3HD2 LEU 10 10.085 15.039 -11.924 86 H LYS 11 H LYS 11 13.933 10.613 -11.582 87 HA LYS 11 HA LYS 11 14.559 9.737 -14.269 88 1HB LYS 11 1HB LYS 11 14.829 8.325 -11.573 89 2HB LYS 11 2HB LYS 11 15.186 7.535 -13.105 90 1HG LYS 11 1HG LYS 11 17.246 8.233 -12.359 91 2HG LYS 11 2HG LYS 11 16.848 9.363 -13.654 92 1HD LYS 11 1HD LYS 11 15.963 10.231 -10.963 93 2HD LYS 11 2HD LYS 11 17.705 9.952 -11.049 94 1HE LYS 11 1HE LYS 11 17.865 11.519 -12.971 95 2HE LYS 11 2HE LYS 11 16.119 11.824 -12.858 96 1HZ LYS 11 1HZ LYS 11 18.065 12.355 -10.707 97 2HZ LYS 11 2HZ LYS 11 17.390 13.500 -11.694 98 3HZ LYS 11 3HZ LYS 11 16.468 12.639 -10.630 99 H ASP 12 H ASP 12 12.006 8.922 -11.911 100 HA ASP 12 HA ASP 12 10.907 6.742 -13.479 101 1HB ASP 12 1HB ASP 12 9.473 8.385 -11.391 102 2HB ASP 12 2HB ASP 12 9.194 6.700 -11.876 103 H ALA 13 H ALA 13 9.411 6.970 -14.996 104 HA ALA 13 HA ALA 13 8.691 9.651 -15.989 105 1HB ALA 13 1HB ALA 13 9.683 8.011 -17.560 106 2HB ALA 13 2HB ALA 13 8.326 6.901 -17.260 107 3HB ALA 13 3HB ALA 13 8.040 8.469 -18.047 108 H GLU 14 H GLU 14 7.076 6.703 -14.972 109 HA GLU 14 HA GLU 14 4.420 7.410 -15.551 110 1HB GLU 14 1HB GLU 14 5.521 5.722 -13.261 111 2HB GLU 14 2HB GLU 14 3.820 5.781 -13.757 112 1HG GLU 14 1HG GLU 14 4.413 4.952 -16.002 113 2HG GLU 14 2HG GLU 14 6.126 4.896 -15.559 114 H ALA 15 H ALA 15 6.320 8.054 -12.627 115 HA ALA 15 HA ALA 15 4.256 9.334 -11.092 116 1HB ALA 15 1HB ALA 15 6.423 8.537 -10.117 117 2HB ALA 15 2HB ALA 15 7.270 9.816 -11.022 118 3HB ALA 15 3HB ALA 15 6.102 10.249 -9.761 119 H VAL 16 H VAL 16 6.513 10.402 -13.527 120 HA VAL 16 HA VAL 16 5.954 13.260 -13.139 121 HB VAL 16 HB VAL 16 7.960 11.699 -14.620 122 1HG1 VAL 16 1HG1 VAL 16 7.090 14.329 -15.763 123 2HG1 VAL 16 2HG1 VAL 16 8.566 13.414 -16.163 124 3HG1 VAL 16 3HG1 VAL 16 6.986 12.730 -16.562 125 1HG2 VAL 16 1HG2 VAL 16 8.418 12.722 -12.561 126 2HG2 VAL 16 2HG2 VAL 16 9.434 13.299 -13.902 127 3HG2 VAL 16 3HG2 VAL 16 8.097 14.326 -13.298 128 H GLN 17 H GLN 17 4.799 10.589 -15.143 129 HA GLN 17 HA GLN 17 3.491 12.304 -17.055 130 1HB GLN 17 1HB GLN 17 3.860 9.832 -17.469 131 2HB GLN 17 2HB GLN 17 2.653 9.485 -16.210 132 1HG GLN 17 1HG GLN 17 1.617 9.276 -18.357 133 2HG GLN 17 2HG GLN 17 0.938 10.683 -17.544 134 1HE2 GLN 17 2HE2 GLN 17 3.057 9.568 -20.161 135 2HE2 GLN 17 1HE2 GLN 17 3.201 11.120 -20.973 136 H LYS 18 H LYS 18 2.617 10.769 -13.975 137 HA LYS 18 HA LYS 18 -0.099 11.668 -13.946 138 1HB LYS 18 1HB LYS 18 1.784 11.080 -11.634 139 2HB LYS 18 2HB LYS 18 0.042 11.280 -11.454 140 1HG LYS 18 1HG LYS 18 1.102 9.147 -13.346 141 2HG LYS 18 2HG LYS 18 1.183 8.911 -11.612 142 1HD LYS 18 1HD LYS 18 -0.782 7.842 -12.409 143 2HD LYS 18 2HD LYS 18 -1.225 9.185 -11.359 144 1HE LYS 18 1HE LYS 18 -2.708 8.931 -13.328 145 2HE LYS 18 2HE LYS 18 -1.949 10.521 -13.255 146 1HZ LYS 18 1HZ LYS 18 -1.095 8.262 -14.951 147 2HZ LYS 18 2HZ LYS 18 -1.889 9.610 -15.461 148 3HZ LYS 18 3HZ LYS 18 -0.347 9.725 -14.894 149 H PHE 19 H PHE 19 2.777 13.100 -12.379 150 HA PHE 19 HA PHE 19 1.453 15.456 -11.494 151 1HB PHE 19 1HB PHE 19 3.521 14.982 -10.462 152 2HB PHE 19 2HB PHE 19 4.330 14.661 -11.994 153 HD1 PHE 19 HD1 PHE 19 4.921 16.465 -13.562 154 HD2 PHE 19 HD2 PHE 19 3.496 17.312 -9.582 155 HE1 PHE 19 HE1 PHE 19 5.745 18.792 -13.738 156 HE2 PHE 19 HE2 PHE 19 4.360 19.615 -9.772 157 HZ PHE 19 HZ PHE 19 5.511 20.338 -11.961 158 H PHE 20 H PHE 20 3.225 14.816 -14.520 159 HA PHE 20 HA PHE 20 3.320 17.429 -15.544 160 1HB PHE 20 1HB PHE 20 4.612 15.720 -16.528 161 2HB PHE 20 2HB PHE 20 3.194 14.737 -16.922 162 HD1 PHE 20 HD1 PHE 20 4.808 18.016 -17.724 163 HD2 PHE 20 HD2 PHE 20 2.472 14.680 -19.108 164 HE1 PHE 20 HE1 PHE 20 4.959 18.864 -20.067 165 HE2 PHE 20 HE2 PHE 20 2.635 15.521 -21.429 166 HZ PHE 20 HZ PHE 20 3.895 17.608 -21.900 167 H LEU 21 H LEU 21 0.858 14.811 -15.904 168 HA LEU 21 HA LEU 21 -1.018 16.415 -17.373 169 1HB LEU 21 1HB LEU 21 -0.932 13.711 -16.045 170 2HB LEU 21 2HB LEU 21 -2.505 14.443 -16.003 171 HG LEU 21 HG LEU 21 -1.048 14.025 -18.675 172 1HD1 LEU 21 1HD1 LEU 21 -2.965 12.237 -17.133 173 2HD1 LEU 21 2HD1 LEU 21 -2.467 12.007 -18.824 174 3HD1 LEU 21 3HD1 LEU 21 -1.270 11.904 -17.532 175 1HD2 LEU 21 1HD2 LEU 21 -3.836 14.870 -17.787 176 2HD2 LEU 21 2HD2 LEU 21 -2.697 15.718 -18.849 177 3HD2 LEU 21 3HD2 LEU 21 -3.497 14.247 -19.385 178 H GLU 22 H GLU 22 -0.583 15.824 -13.889 179 HA GLU 22 HA GLU 22 -2.986 17.131 -13.139 180 1HB GLU 22 1HB GLU 22 -1.646 15.814 -11.556 181 2HB GLU 22 2HB GLU 22 -0.370 17.050 -11.587 182 1HG GLU 22 1HG GLU 22 -1.833 18.688 -10.591 183 2HG GLU 22 2HG GLU 22 -3.236 17.617 -10.755 184 H GLU 23 H GLU 23 0.162 18.386 -14.199 185 HA GLU 23 HA GLU 23 -0.414 21.094 -13.425 186 1HB GLU 23 1HB GLU 23 1.910 19.995 -13.622 187 2HB GLU 23 2HB GLU 23 1.772 20.474 -15.325 188 1HG GLU 23 1HG GLU 23 2.663 22.399 -14.392 189 2HG GLU 23 2HG GLU 23 0.940 22.790 -14.250 190 H ILE 24 H ILE 24 -0.281 19.302 -16.449 191 HA ILE 24 HA ILE 24 -1.106 21.295 -18.321 192 HB ILE 24 HB ILE 24 -1.142 18.278 -18.235 193 1HG1 ILE 24 1HG1 ILE 24 0.104 20.268 -20.075 194 2HG1 ILE 24 2HG1 ILE 24 0.717 18.741 -19.435 195 1HG2 ILE 24 1HG2 ILE 24 -3.448 18.481 -18.866 196 2HG2 ILE 24 2HG2 ILE 24 -2.919 19.462 -20.249 197 3HG2 ILE 24 3HG2 ILE 24 -2.444 17.782 -20.074 198 1HD1 ILE 24 1HD1 ILE 24 -1.328 18.939 -21.705 199 2HD1 ILE 24 2HD1 ILE 24 0.394 18.726 -21.853 200 3HD1 ILE 24 3HD1 ILE 24 -0.542 17.482 -21.039 201 H GLN 25 H GLN 25 -3.115 19.116 -16.328 202 HA GLN 25 HA GLN 25 -5.553 20.389 -17.226 203 1HB GLN 25 1HB GLN 25 -6.790 18.910 -16.037 204 2HB GLN 25 2HB GLN 25 -5.355 17.996 -16.539 205 1HG GLN 25 1HG GLN 25 -4.371 18.549 -14.301 206 2HG GLN 25 2HG GLN 25 -5.936 19.254 -13.830 207 1HE2 GLN 25 2HE2 GLN 25 -5.178 17.390 -12.137 208 2HE2 GLN 25 1HE2 GLN 25 -5.981 15.858 -12.417 209 H LEU 26 H LEU 26 -3.542 20.792 -14.380 210 HA LEU 26 HA LEU 26 -5.289 22.539 -12.895 211 1HB LEU 26 1HB LEU 26 -3.590 21.549 -11.720 212 2HB LEU 26 2HB LEU 26 -2.340 22.067 -12.870 213 HG LEU 26 HG LEU 26 -2.097 23.090 -10.769 214 1HD1 LEU 26 1HD1 LEU 26 -1.523 24.322 -12.918 215 2HD1 LEU 26 2HD1 LEU 26 -2.967 25.323 -12.612 216 3HD1 LEU 26 3HD1 LEU 26 -1.681 25.269 -11.413 217 1HD2 LEU 26 1HD2 LEU 26 -4.398 23.104 -10.025 218 2HD2 LEU 26 2HD2 LEU 26 -3.666 24.723 -9.894 219 3HD2 LEU 26 3HD2 LEU 26 -4.804 24.365 -11.224 220 H GLY 27 H GLY 27 -2.854 23.199 -15.425 221 1HA GLY 27 1HA GLY 27 -3.176 26.063 -15.433 222 2HA GLY 27 2HA GLY 27 -2.581 25.087 -16.800 223 H GLU 28 H GLU 28 -4.528 23.604 -17.782 224 HA GLU 28 HA GLU 28 -6.271 25.378 -18.998 225 1HB GLU 28 1HB GLU 28 -6.008 22.938 -19.638 226 2HB GLU 28 2HB GLU 28 -7.139 22.560 -18.319 227 1HG GLU 28 1HG GLU 28 -8.767 24.255 -19.445 228 2HG GLU 28 2HG GLU 28 -7.621 24.320 -20.788 229 H GLU 29 H GLU 29 -6.965 23.615 -16.023 230 HA GLU 29 HA GLU 29 -9.599 24.593 -15.604 231 1HB GLU 29 1HB GLU 29 -8.700 22.660 -14.378 232 2HB GLU 29 2HB GLU 29 -7.557 23.728 -13.525 233 1HG GLU 29 1HG GLU 29 -9.219 23.305 -11.984 234 2HG GLU 29 2HG GLU 29 -9.605 24.921 -12.550 235 H LEU 30 H LEU 30 -6.458 25.968 -14.408 236 HA LEU 30 HA LEU 30 -7.804 28.136 -13.075 237 1HB LEU 30 1HB LEU 30 -4.959 27.656 -14.092 238 2HB LEU 30 2HB LEU 30 -5.412 29.262 -13.568 239 HG LEU 30 HG LEU 30 -5.446 26.792 -11.799 240 1HD1 LEU 30 1HD1 LEU 30 -3.193 27.701 -12.478 241 2HD1 LEU 30 2HD1 LEU 30 -3.669 29.244 -11.731 242 3HD1 LEU 30 3HD1 LEU 30 -3.523 27.783 -10.736 243 1HD2 LEU 30 1HD2 LEU 30 -6.039 29.736 -11.166 244 2HD2 LEU 30 2HD2 LEU 30 -7.164 28.375 -10.970 245 3HD2 LEU 30 3HD2 LEU 30 -5.735 28.489 -9.946 246 H LEU 31 H LEU 31 -6.647 27.745 -16.399 247 HA LEU 31 HA LEU 31 -7.409 30.488 -17.159 248 1HB LEU 31 1HB LEU 31 -6.958 27.932 -18.702 249 2HB LEU 31 2HB LEU 31 -7.303 29.488 -19.462 250 HG LEU 31 HG LEU 31 -5.263 30.393 -18.980 251 1HD1 LEU 31 1HD1 LEU 31 -5.349 30.220 -16.455 252 2HD1 LEU 31 2HD1 LEU 31 -4.528 28.657 -16.623 253 3HD1 LEU 31 3HD1 LEU 31 -3.814 30.138 -17.250 254 1HD2 LEU 31 1HD2 LEU 31 -5.099 28.222 -20.230 255 2HD2 LEU 31 2HD2 LEU 31 -3.594 28.662 -19.365 256 3HD2 LEU 31 3HD2 LEU 31 -4.687 27.430 -18.696 257 H ALA 32 H ALA 32 -9.089 27.465 -16.782 258 HA ALA 32 HA ALA 32 -11.491 28.282 -18.066 259 1HB ALA 32 1HB ALA 32 -10.914 25.892 -17.337 260 2HB ALA 32 2HB ALA 32 -11.439 26.355 -15.707 261 3HB ALA 32 3HB ALA 32 -12.576 26.427 -17.041 262 H GLN 33 H GLN 33 -9.968 29.293 -15.119 263 HA GLN 33 HA GLN 33 -12.393 30.617 -14.086 264 1HB GLN 33 1HB GLN 33 -10.023 29.490 -12.913 265 2HB GLN 33 2HB GLN 33 -9.945 31.238 -12.653 266 1HG GLN 33 1HG GLN 33 -12.244 31.172 -11.699 267 2HG GLN 33 2HG GLN 33 -12.292 29.416 -11.941 268 1HE2 GLN 33 2HE2 GLN 33 -10.135 28.299 -10.985 269 2HE2 GLN 33 1HE2 GLN 33 -9.773 28.799 -9.344 270 H GLY 34 H GLY 34 -9.316 31.126 -15.632 271 1HA GLY 34 1HA GLY 34 -9.268 32.866 -17.391 272 2HA GLY 34 2HA GLY 34 -9.897 34.008 -16.205 273 H ASP 35 H ASP 35 -7.542 31.752 -14.896 274 HA ASP 35 HA ASP 35 -5.717 34.066 -14.623 275 1HB ASP 35 1HB ASP 35 -6.404 32.449 -12.733 276 2HB ASP 35 2HB ASP 35 -5.184 31.373 -13.406 277 H TYR 36 H TYR 36 -5.551 33.810 -17.089 278 HA TYR 36 HA TYR 36 -3.936 32.113 -18.522 279 1HB TYR 36 1HB TYR 36 -3.651 35.077 -18.861 280 2HB TYR 36 2HB TYR 36 -3.694 33.805 -20.077 281 HD1 TYR 36 HD1 TYR 36 -6.088 32.401 -19.988 282 HD2 TYR 36 HD2 TYR 36 -5.483 36.502 -18.792 283 HE1 TYR 36 HE1 TYR 36 -8.496 32.863 -20.338 284 HE2 TYR 36 HE2 TYR 36 -7.884 36.958 -19.144 285 HH TYR 36 HH TYR 36 -9.920 36.099 -19.769 286 H GLU 37 H GLU 37 -2.877 34.752 -16.527 287 HA GLU 37 HA GLU 37 -0.102 34.701 -17.004 288 1HB GLU 37 1HB GLU 37 -1.820 35.556 -14.659 289 2HB GLU 37 2HB GLU 37 -0.063 35.557 -14.506 290 1HG GLU 37 1HG GLU 37 -0.904 37.770 -15.178 291 2HG GLU 37 2HG GLU 37 0.207 37.074 -16.361 292 H LYS 38 H LYS 38 -2.010 32.970 -14.637 293 HA LYS 38 HA LYS 38 0.285 31.451 -13.688 294 1HB LYS 38 1HB LYS 38 -2.668 31.452 -13.129 295 2HB LYS 38 2HB LYS 38 -1.856 29.940 -12.865 296 1HG LYS 38 1HG LYS 38 -0.735 32.489 -11.643 297 2HG LYS 38 2HG LYS 38 -2.011 31.559 -10.837 298 1HD LYS 38 1HD LYS 38 -0.750 29.581 -10.759 299 2HD LYS 38 2HD LYS 38 0.480 30.170 -11.898 300 1HE LYS 38 1HE LYS 38 1.251 31.783 -10.147 301 2HE LYS 38 2HE LYS 38 0.122 31.009 -9.010 302 1HZ LYS 38 1HZ LYS 38 1.244 28.901 -9.557 303 2HZ LYS 38 2HZ LYS 38 2.336 29.706 -10.469 304 3HZ LYS 38 3HZ LYS 38 2.274 29.985 -8.846 305 H GLY 39 H GLY 39 -2.118 30.935 -16.250 306 1HA GLY 39 1HA GLY 39 -1.553 28.162 -16.686 307 2HA GLY 39 2HA GLY 39 -2.027 29.327 -17.949 308 H VAL 40 H VAL 40 0.111 31.157 -17.739 309 HA VAL 40 HA VAL 40 1.906 29.819 -19.527 310 HB VAL 40 HB VAL 40 2.205 32.486 -18.046 311 1HG1 VAL 40 1HG1 VAL 40 3.906 31.267 -20.226 312 2HG1 VAL 40 2HG1 VAL 40 3.965 32.969 -19.734 313 3HG1 VAL 40 3HG1 VAL 40 4.426 31.709 -18.593 314 1HG2 VAL 40 1HG2 VAL 40 1.246 31.774 -20.863 315 2HG2 VAL 40 2HG2 VAL 40 0.419 32.745 -19.636 316 3HG2 VAL 40 3HG2 VAL 40 1.830 33.363 -20.453 317 H ASP 41 H ASP 41 2.261 30.754 -16.138 318 HA ASP 41 HA ASP 41 4.868 29.709 -15.672 319 1HB ASP 41 1HB ASP 41 4.060 31.221 -14.048 320 2HB ASP 41 2HB ASP 41 2.511 30.385 -13.895 321 H HIS 42 H HIS 42 1.724 28.269 -14.964 322 HA HIS 42 HA HIS 42 2.832 25.775 -14.071 323 1HB HIS 42 1HB HIS 42 0.021 26.617 -14.789 324 2HB HIS 42 2HB HIS 42 0.420 24.953 -14.358 325 HD1 HIS 42 HD1 HIS 42 1.976 24.770 -11.996 326 HD2 HIS 42 HD2 HIS 42 -0.549 28.070 -12.523 327 HE1 HIS 42 HE1 HIS 42 1.589 25.788 -9.708 328 H LEU 43 H LEU 43 1.890 26.938 -17.324 329 HA LEU 43 HA LEU 43 2.142 24.225 -18.342 330 1HB LEU 43 1HB LEU 43 1.035 26.316 -19.551 331 2HB LEU 43 2HB LEU 43 2.691 26.579 -20.121 332 HG LEU 43 HG LEU 43 2.503 23.947 -20.648 333 1HD1 LEU 43 1HD1 LEU 43 0.236 23.700 -19.553 334 2HD1 LEU 43 2HD1 LEU 43 -0.429 24.859 -20.714 335 3HD1 LEU 43 3HD1 LEU 43 0.181 23.296 -21.277 336 1HD2 LEU 43 1HD2 LEU 43 2.824 25.702 -22.331 337 2HD2 LEU 43 2HD2 LEU 43 1.704 24.461 -22.884 338 3HD2 LEU 43 3HD2 LEU 43 1.070 26.038 -22.338 339 H THR 44 H THR 44 4.296 27.081 -17.931 340 HA THR 44 HA THR 44 6.588 26.056 -19.107 341 HB THR 44 HB THR 44 6.492 27.897 -16.716 342 HG1 THR 44 HG1 THR 44 6.694 28.256 -19.526 343 1HG2 THR 44 1HG2 THR 44 8.753 27.184 -18.628 344 2HG2 THR 44 2HG2 THR 44 8.752 28.560 -17.506 345 3HG2 THR 44 3HG2 THR 44 8.726 26.910 -16.873 346 H ASN 45 H ASN 45 5.203 25.367 -15.962 347 HA ASN 45 HA ASN 45 7.384 23.852 -14.830 348 1HB ASN 45 1HB ASN 45 4.444 23.992 -14.163 349 2HB ASN 45 2HB ASN 45 5.474 22.753 -13.458 350 1HD2 ASN 45 2HD2 ASN 45 5.243 26.329 -13.861 351 2HD2 ASN 45 1HD2 ASN 45 6.026 26.706 -12.355 352 H ALA 46 H ALA 46 4.448 22.901 -16.671 353 HA ALA 46 HA ALA 46 4.856 20.148 -16.680 354 1HB ALA 46 1HB ALA 46 2.840 21.476 -17.525 355 2HB ALA 46 2HB ALA 46 3.704 21.628 -19.071 356 3HB ALA 46 3HB ALA 46 3.275 20.032 -18.432 357 H ILE 47 H ILE 47 6.106 22.647 -18.969 358 HA ILE 47 HA ILE 47 7.671 20.790 -20.507 359 HB ILE 47 HB ILE 47 8.014 23.779 -20.150 360 1HG1 ILE 47 1HG1 ILE 47 7.214 23.763 -22.625 361 2HG1 ILE 47 2HG1 ILE 47 6.650 22.110 -22.339 362 1HG2 ILE 47 1HG2 ILE 47 9.546 21.926 -21.913 363 2HG2 ILE 47 2HG2 ILE 47 9.485 23.695 -22.147 364 3HG2 ILE 47 3HG2 ILE 47 10.164 23.045 -20.683 365 1HD1 ILE 47 1HD1 ILE 47 5.847 24.526 -20.688 366 2HD1 ILE 47 2HD1 ILE 47 4.954 23.993 -22.113 367 3HD1 ILE 47 3HD1 ILE 47 5.061 22.911 -20.728 368 H ALA 48 H ALA 48 8.318 22.443 -17.527 369 HA ALA 48 HA ALA 48 11.155 22.100 -17.549 370 1HB ALA 48 1HB ALA 48 10.031 23.754 -16.080 371 2HB ALA 48 2HB ALA 48 9.403 22.410 -15.087 372 3HB ALA 48 3HB ALA 48 11.147 22.679 -15.214 373 H VAL 49 H VAL 49 8.491 19.971 -16.711 374 HA VAL 49 HA VAL 49 10.436 17.980 -15.633 375 HB VAL 49 HB VAL 49 8.603 16.811 -14.815 376 1HG1 VAL 49 1HG1 VAL 49 9.418 18.964 -13.657 377 2HG1 VAL 49 2HG1 VAL 49 7.911 19.708 -14.224 378 3HG1 VAL 49 3HG1 VAL 49 7.860 18.299 -13.145 379 1HG2 VAL 49 1HG2 VAL 49 6.945 17.325 -16.726 380 2HG2 VAL 49 2HG2 VAL 49 6.326 17.242 -15.093 381 3HG2 VAL 49 3HG2 VAL 49 6.597 18.828 -15.839 382 H CYS 50 H CYS 50 8.699 18.764 -18.565 383 HA CYS 50 HA CYS 50 8.849 15.939 -19.503 384 1HB CYS 50 1HB CYS 50 6.879 17.163 -19.993 385 2HB CYS 50 2HB CYS 50 7.790 18.435 -20.847 386 HG CYS 50 HG CYS 50 8.884 16.720 -22.578 387 H GLY 51 H GLY 51 10.296 19.127 -20.345 388 1HA GLY 51 1HA GLY 51 12.305 19.641 -21.291 389 2HA GLY 51 2HA GLY 51 12.818 17.956 -21.099 390 H GLN 52 H GLN 52 9.941 19.047 -22.835 391 HA GLN 52 HA GLN 52 11.091 18.852 -25.565 392 1HB GLN 52 1HB GLN 52 10.689 16.452 -24.714 393 2HB GLN 52 2HB GLN 52 8.975 16.843 -24.788 394 1HG GLN 52 1HG GLN 52 9.587 15.824 -26.883 395 2HG GLN 52 2HG GLN 52 9.334 17.553 -27.195 396 1HE2 GLN 52 2HE2 GLN 52 12.034 15.316 -26.258 397 2HE2 GLN 52 1HE2 GLN 52 13.205 16.075 -27.316 398 HA PRO 53 HA PRO 53 7.549 21.744 -24.454 399 1HB PRO 53 1HB PRO 53 8.529 23.888 -25.994 400 2HB PRO 53 2HB PRO 53 8.780 23.657 -24.256 401 1HG PRO 53 1HG PRO 53 10.644 22.869 -26.499 402 2HG PRO 53 2HG PRO 53 11.038 23.699 -24.968 403 1HD PRO 53 1HD PRO 53 11.478 21.102 -25.173 404 2HD PRO 53 2HD PRO 53 10.700 21.747 -23.713 405 H GLN 54 H GLN 54 9.258 21.740 -27.518 406 HA GLN 54 HA GLN 54 7.097 22.369 -29.198 407 1HB GLN 54 1HB GLN 54 9.598 20.764 -29.924 408 2HB GLN 54 2HB GLN 54 8.526 21.611 -31.046 409 1HG GLN 54 1HG GLN 54 9.175 23.803 -29.861 410 2HG GLN 54 2HG GLN 54 10.374 22.883 -28.952 411 1HE2 GLN 54 2HE2 GLN 54 9.303 23.347 -32.384 412 2HE2 GLN 54 1HE2 GLN 54 10.932 23.387 -33.023 413 H GLN 55 H GLN 55 8.140 19.081 -28.266 414 HA GLN 55 HA GLN 55 6.272 17.884 -30.071 415 1HB GLN 55 1HB GLN 55 8.103 16.567 -28.981 416 2HB GLN 55 2HB GLN 55 7.238 16.700 -27.434 417 1HG GLN 55 1HG GLN 55 6.861 14.525 -28.540 418 2HG GLN 55 2HG GLN 55 5.363 15.428 -28.287 419 1HE2 GLN 55 2HE2 GLN 55 7.937 15.419 -30.868 420 2HE2 GLN 55 1HE2 GLN 55 6.794 15.240 -32.187 421 H LEU 56 H LEU 56 5.990 18.856 -26.660 422 HA LEU 56 HA LEU 56 3.286 18.094 -26.480 423 1HB LEU 56 1HB LEU 56 4.638 18.549 -24.430 424 2HB LEU 56 2HB LEU 56 4.782 20.247 -24.905 425 HG LEU 56 HG LEU 56 2.239 20.413 -24.774 426 1HD1 LEU 56 1HD1 LEU 56 2.248 17.638 -24.630 427 2HD1 LEU 56 2HD1 LEU 56 2.112 18.069 -22.952 428 3HD1 LEU 56 3HD1 LEU 56 0.921 18.686 -24.093 429 1HD2 LEU 56 1HD2 LEU 56 3.864 19.813 -22.301 430 2HD2 LEU 56 2HD2 LEU 56 3.648 21.369 -23.112 431 3HD2 LEU 56 3HD2 LEU 56 2.262 20.592 -22.320 432 H LEU 57 H LEU 57 4.839 21.146 -27.577 433 HA LEU 57 HA LEU 57 2.404 22.612 -27.724 434 1HB LEU 57 1HB LEU 57 4.928 22.934 -29.401 435 2HB LEU 57 2HB LEU 57 3.566 24.047 -29.429 436 HG LEU 57 HG LEU 57 5.377 23.559 -27.021 437 1HD1 LEU 57 1HD1 LEU 57 5.116 25.813 -29.013 438 2HD1 LEU 57 2HD1 LEU 57 6.012 25.924 -27.479 439 3HD1 LEU 57 3HD1 LEU 57 6.509 24.762 -28.722 440 1HD2 LEU 57 1HD2 LEU 57 2.912 25.352 -27.411 441 2HD2 LEU 57 2HD2 LEU 57 3.123 24.107 -26.173 442 3HD2 LEU 57 3HD2 LEU 57 4.079 25.583 -26.101 443 H GLN 58 H GLN 58 3.842 20.408 -30.065 444 HA GLN 58 HA GLN 58 1.830 20.999 -32.052 445 1HB GLN 58 1HB GLN 58 3.983 19.798 -32.558 446 2HB GLN 58 2HB GLN 58 3.392 18.393 -31.649 447 1HG GLN 58 1HG GLN 58 1.519 18.146 -33.235 448 2HG GLN 58 2HG GLN 58 2.028 19.616 -34.081 449 1HE2 GLN 58 2HE2 GLN 58 2.811 18.925 -36.062 450 2HE2 GLN 58 1HE2 GLN 58 3.976 17.631 -36.261 451 H VAL 59 H VAL 59 2.085 18.593 -29.449 452 HA VAL 59 HA VAL 59 -0.376 17.320 -29.982 453 HB VAL 59 HB VAL 59 1.680 16.676 -28.330 454 1HG1 VAL 59 1HG1 VAL 59 -0.629 17.490 -26.435 455 2HG1 VAL 59 2HG1 VAL 59 0.804 16.573 -25.966 456 3HG1 VAL 59 3HG1 VAL 59 0.908 18.265 -26.359 457 1HG2 VAL 59 1HG2 VAL 59 -1.088 15.764 -28.097 458 2HG2 VAL 59 2HG2 VAL 59 0.214 15.185 -29.188 459 3HG2 VAL 59 3HG2 VAL 59 0.387 15.012 -27.432 460 H LEU 60 H LEU 60 0.368 20.156 -28.092 461 HA LEU 60 HA LEU 60 -2.115 20.451 -26.669 462 1HB LEU 60 1HB LEU 60 -0.245 20.832 -25.533 463 2HB LEU 60 2HB LEU 60 0.501 21.783 -26.834 464 HG LEU 60 HG LEU 60 -0.651 23.566 -26.556 465 1HD1 LEU 60 1HD1 LEU 60 -2.246 22.023 -24.345 466 2HD1 LEU 60 2HD1 LEU 60 -2.348 23.780 -24.481 467 3HD1 LEU 60 3HD1 LEU 60 -3.037 22.754 -25.738 468 1HD2 LEU 60 1HD2 LEU 60 1.185 23.047 -25.061 469 2HD2 LEU 60 2HD2 LEU 60 -0.017 24.100 -24.244 470 3HD2 LEU 60 3HD2 LEU 60 0.056 22.352 -23.868 471 H GLN 61 H GLN 61 -0.609 21.561 -29.760 472 HA GLN 61 HA GLN 61 -2.629 23.658 -30.055 473 1HB GLN 61 1HB GLN 61 -0.423 24.155 -30.842 474 2HB GLN 61 2HB GLN 61 -0.355 22.695 -31.841 475 1HG GLN 61 1HG GLN 61 -1.885 23.571 -33.447 476 2HG GLN 61 2HG GLN 61 -2.386 24.894 -32.384 477 1HE2 GLN 61 2HE2 GLN 61 -1.095 26.778 -32.247 478 2HE2 GLN 61 1HE2 GLN 61 0.292 27.016 -33.293 479 H GLN 62 H GLN 62 -1.932 20.429 -31.423 480 HA GLN 62 HA GLN 62 -3.992 20.553 -33.415 481 1HB GLN 62 1HB GLN 62 -3.420 18.349 -33.934 482 2HB GLN 62 2HB GLN 62 -1.910 19.105 -33.407 483 1HG GLN 62 1HG GLN 62 -2.328 18.077 -31.120 484 2HG GLN 62 2HG GLN 62 -3.697 17.200 -31.819 485 1HE2 GLN 62 2HE2 GLN 62 -3.295 15.218 -32.730 486 2HE2 GLN 62 1HE2 GLN 62 -1.689 14.627 -33.113 487 H THR 63 H THR 63 -3.911 19.508 -30.031 488 HA THR 63 HA THR 63 -6.503 18.208 -30.168 489 HB THR 63 HB THR 63 -4.629 17.486 -28.711 490 HG1 THR 63 HG1 THR 63 -6.860 16.933 -28.384 491 1HG2 THR 63 1HG2 THR 63 -4.131 19.888 -27.910 492 2HG2 THR 63 2HG2 THR 63 -5.542 19.692 -26.855 493 3HG2 THR 63 3HG2 THR 63 -4.130 18.630 -26.680 494 H LEU 64 H LEU 64 -5.305 21.434 -29.427 495 HA LEU 64 HA LEU 64 -7.997 22.502 -29.469 496 1HB LEU 64 1HB LEU 64 -8.148 21.637 -27.259 497 2HB LEU 64 2HB LEU 64 -6.526 22.161 -26.835 498 HG LEU 64 HG LEU 64 -8.362 24.386 -27.563 499 1HD1 LEU 64 1HD1 LEU 64 -8.888 22.715 -25.072 500 2HD1 LEU 64 2HD1 LEU 64 -9.595 24.303 -25.432 501 3HD1 LEU 64 3HD1 LEU 64 -9.985 22.911 -26.458 502 1HD2 LEU 64 1HD2 LEU 64 -6.085 24.713 -26.545 503 2HD2 LEU 64 2HD2 LEU 64 -7.371 25.360 -25.517 504 3HD2 LEU 64 3HD2 LEU 64 -6.616 23.804 -25.119 505 HA PRO 65 HA PRO 65 -5.146 25.830 -30.694 506 1HB PRO 65 1HB PRO 65 -6.901 27.856 -31.149 507 2HB PRO 65 2HB PRO 65 -6.658 26.470 -32.249 508 1HG PRO 65 1HG PRO 65 -8.837 26.813 -30.178 509 2HG PRO 65 2HG PRO 65 -9.004 26.300 -31.881 510 1HD PRO 65 1HD PRO 65 -8.923 24.513 -29.837 511 2HD PRO 65 2HD PRO 65 -8.147 24.143 -31.406 512 HA PRO 66 HA PRO 66 -5.390 27.528 -26.369 513 1HB PRO 66 1HB PRO 66 -2.737 27.536 -25.827 514 2HB PRO 66 2HB PRO 66 -3.827 26.156 -25.671 515 1HG PRO 66 1HG PRO 66 -1.650 26.326 -27.582 516 2HG PRO 66 2HG PRO 66 -2.831 25.026 -27.307 517 1HD PRO 66 1HD PRO 66 -2.943 27.272 -29.285 518 2HD PRO 66 2HD PRO 66 -3.508 25.600 -29.419 519 HA PRO 67 HA PRO 67 -4.456 31.739 -27.935 520 1HB PRO 67 1HB PRO 67 -6.159 33.155 -26.338 521 2HB PRO 67 2HB PRO 67 -6.768 32.182 -27.715 522 1HG PRO 67 1HG PRO 67 -6.662 31.391 -24.792 523 2HG PRO 67 2HG PRO 67 -8.051 31.268 -25.908 524 1HD PRO 67 1HD PRO 67 -6.400 29.169 -25.384 525 2HD PRO 67 2HD PRO 67 -7.123 29.406 -27.004 526 H VAL 68 H VAL 68 -4.226 30.241 -24.887 527 HA VAL 68 HA VAL 68 -2.832 32.357 -23.444 528 HB VAL 68 HB VAL 68 -3.243 29.367 -22.891 529 1HG1 VAL 68 1HG1 VAL 68 -1.662 31.436 -21.353 530 2HG1 VAL 68 2HG1 VAL 68 -2.261 29.905 -20.666 531 3HG1 VAL 68 3HG1 VAL 68 -1.101 29.869 -21.992 532 1HG2 VAL 68 1HG2 VAL 68 -5.216 30.906 -22.671 533 2HG2 VAL 68 2HG2 VAL 68 -4.676 30.278 -21.116 534 3HG2 VAL 68 3HG2 VAL 68 -4.262 31.937 -21.582 535 H PHE 69 H PHE 69 -1.975 29.355 -25.091 536 HA PHE 69 HA PHE 69 0.782 29.166 -24.810 537 1HB PHE 69 1HB PHE 69 -0.085 27.460 -26.035 538 2HB PHE 69 2HB PHE 69 -1.142 28.524 -26.946 539 HD1 PHE 69 HD1 PHE 69 2.539 27.830 -26.678 540 HD2 PHE 69 HD2 PHE 69 -0.832 28.844 -29.175 541 HE1 PHE 69 HE1 PHE 69 3.978 27.717 -28.697 542 HE2 PHE 69 HE2 PHE 69 0.616 28.728 -31.180 543 HZ PHE 69 HZ PHE 69 3.026 28.162 -30.944 544 H GLN 70 H GLN 70 -0.830 31.247 -27.181 545 HA GLN 70 HA GLN 70 1.634 32.315 -28.229 546 1HB GLN 70 1HB GLN 70 0.285 34.146 -29.214 547 2HB GLN 70 2HB GLN 70 -0.250 32.510 -29.627 548 1HG GLN 70 1HG GLN 70 -2.029 32.632 -27.974 549 2HG GLN 70 2HG GLN 70 -1.517 34.271 -27.478 550 1HE2 GLN 70 2HE2 GLN 70 -1.595 35.962 -29.207 551 2HE2 GLN 70 1HE2 GLN 70 -2.829 35.825 -30.448 552 H MET 71 H MET 71 -0.224 33.239 -25.384 553 HA MET 71 HA MET 71 1.286 35.699 -24.942 554 1HB MET 71 1HB MET 71 -0.573 34.254 -23.000 555 2HB MET 71 2HB MET 71 0.034 35.909 -22.915 556 1HG MET 71 1HG MET 71 -1.216 36.236 -25.211 557 2HG MET 71 2HG MET 71 -2.087 34.775 -24.748 558 1HE MET 71 1HE MET 71 -3.604 34.587 -22.589 559 2HE MET 71 2HE MET 71 -2.300 35.195 -21.535 560 3HE MET 71 3HE MET 71 -3.910 35.947 -21.485 561 H LEU 72 H LEU 72 1.392 32.255 -24.033 562 HA LEU 72 HA LEU 72 3.336 32.541 -21.963 563 1HB LEU 72 1HB LEU 72 2.554 30.364 -21.865 564 2HB LEU 72 2HB LEU 72 2.116 30.376 -23.547 565 HG LEU 72 HG LEU 72 4.553 29.940 -24.111 566 1HD1 LEU 72 1HD1 LEU 72 5.487 30.606 -21.830 567 2HD1 LEU 72 2HD1 LEU 72 4.672 29.190 -21.145 568 3HD1 LEU 72 3HD1 LEU 72 5.958 28.982 -22.351 569 1HD2 LEU 72 1HD2 LEU 72 2.937 27.973 -22.482 570 2HD2 LEU 72 2HD2 LEU 72 2.885 28.206 -24.243 571 3HD2 LEU 72 3HD2 LEU 72 4.339 27.532 -23.488 572 H LEU 73 H LEU 73 3.498 32.201 -25.444 573 HA LEU 73 HA LEU 73 6.417 32.280 -25.457 574 1HB LEU 73 1HB LEU 73 4.537 33.149 -27.719 575 2HB LEU 73 2HB LEU 73 6.237 32.699 -27.872 576 HG LEU 73 HG LEU 73 3.888 30.815 -27.385 577 1HD1 LEU 73 1HD1 LEU 73 4.113 31.775 -29.578 578 2HD1 LEU 73 2HD1 LEU 73 5.821 31.279 -29.650 579 3HD1 LEU 73 3HD1 LEU 73 4.533 30.051 -29.597 580 1HD2 LEU 73 1HD2 LEU 73 6.847 30.134 -27.533 581 2HD2 LEU 73 2HD2 LEU 73 5.814 29.979 -26.090 582 3HD2 LEU 73 3HD2 LEU 73 5.491 28.985 -27.510 583 H THR 74 H THR 74 4.012 34.774 -25.336 584 HA THR 74 HA THR 74 6.020 36.770 -26.083 585 HB THR 74 HB THR 74 3.498 36.833 -26.695 586 HG1 THR 74 HG1 THR 74 5.149 38.258 -27.332 587 1HG2 THR 74 1HG2 THR 74 2.864 37.060 -24.212 588 2HG2 THR 74 2HG2 THR 74 3.653 38.644 -24.255 589 3HG2 THR 74 3HG2 THR 74 2.246 38.322 -25.301 590 H LYS 75 H LYS 75 4.779 35.279 -23.146 591 HA LYS 75 HA LYS 75 5.488 37.410 -21.372 592 1HB LYS 75 1HB LYS 75 4.836 34.480 -21.290 593 2HB LYS 75 2HB LYS 75 5.507 35.190 -19.826 594 1HG LYS 75 1HG LYS 75 3.190 36.559 -21.237 595 2HG LYS 75 2HG LYS 75 2.860 35.131 -20.297 596 1HD LYS 75 1HD LYS 75 4.283 37.520 -19.096 597 2HD LYS 75 2HD LYS 75 2.520 37.309 -19.134 598 1HE LYS 75 1HE LYS 75 2.803 35.094 -17.939 599 2HE LYS 75 2HE LYS 75 4.514 35.496 -17.707 600 1HZ LYS 75 1HZ LYS 75 2.226 37.084 -16.765 601 2HZ LYS 75 2HZ LYS 75 3.145 36.086 -15.837 602 3HZ LYS 75 3HZ LYS 75 3.812 37.438 -16.501 603 H LEU 76 H LEU 76 7.406 34.418 -22.239 604 HA LEU 76 HA LEU 76 9.554 35.157 -20.626 605 1HB LEU 76 1HB LEU 76 9.238 33.360 -23.092 606 2HB LEU 76 2HB LEU 76 10.794 33.530 -22.282 607 HG LEU 76 HG LEU 76 9.492 32.474 -20.202 608 1HD1 LEU 76 1HD1 LEU 76 7.637 31.708 -22.449 609 2HD1 LEU 76 2HD1 LEU 76 7.654 31.054 -20.801 610 3HD1 LEU 76 3HD1 LEU 76 7.201 32.741 -21.056 611 1HD2 LEU 76 1HD2 LEU 76 9.991 30.903 -22.746 612 2HD2 LEU 76 2HD2 LEU 76 11.222 31.335 -21.540 613 3HD2 LEU 76 3HD2 LEU 76 9.893 30.254 -21.097 614 HA PRO 77 HA PRO 77 12.128 37.309 -23.853 615 1HB PRO 77 1HB PRO 77 11.474 37.610 -26.416 616 2HB PRO 77 2HB PRO 77 12.010 36.034 -25.771 617 1HG PRO 77 1HG PRO 77 9.116 36.921 -26.183 618 2HG PRO 77 2HG PRO 77 9.891 35.426 -26.771 619 1HD PRO 77 1HD PRO 77 8.523 35.504 -24.367 620 2HD PRO 77 2HD PRO 77 10.005 34.517 -24.636 621 H THR 78 H THR 78 12.027 39.373 -23.046 622 HA THR 78 HA THR 78 9.676 41.075 -23.392 623 HB THR 78 HB THR 78 12.386 41.750 -22.188 624 HG1 THR 78 HG1 THR 78 11.427 41.114 -20.244 625 1HG2 THR 78 1HG2 THR 78 9.605 42.914 -21.733 626 2HG2 THR 78 2HG2 THR 78 11.090 43.389 -20.882 627 3HG2 THR 78 3HG2 THR 78 10.927 43.712 -22.615 628 H ILE 79 H ILE 79 13.033 40.914 -24.601 629 HA ILE 79 HA ILE 79 12.962 43.409 -25.980 630 HB ILE 79 HB ILE 79 14.757 40.970 -26.475 631 1HG1 ILE 79 1HG1 ILE 79 16.472 42.417 -25.275 632 2HG1 ILE 79 2HG1 ILE 79 15.127 43.392 -24.658 633 1HG2 ILE 79 1HG2 ILE 79 15.028 43.869 -27.353 634 2HG2 ILE 79 2HG2 ILE 79 16.288 42.628 -27.521 635 3HG2 ILE 79 3HG2 ILE 79 14.778 42.454 -28.402 636 1HD1 ILE 79 1HD1 ILE 79 15.329 40.377 -24.242 637 2HD1 ILE 79 2HD1 ILE 79 16.132 41.549 -23.179 638 3HD1 ILE 79 3HD1 ILE 79 14.376 41.560 -23.305 639 H SER 80 H SER 80 12.495 40.103 -27.082 640 HA SER 80 HA SER 80 12.082 40.615 -29.808 641 1HB SER 80 1HB SER 80 12.210 38.322 -28.740 642 2HB SER 80 2HB SER 80 10.521 38.542 -28.207 643 HG SER 80 HG SER 80 10.668 37.443 -30.201 644 H GLN 81 H GLN 81 9.693 40.566 -27.153 645 HA GLN 81 HA GLN 81 7.398 41.237 -28.559 646 1HB GLN 81 1HB GLN 81 7.250 40.481 -26.351 647 2HB GLN 81 2HB GLN 81 8.278 41.753 -25.713 648 1HG GLN 81 1HG GLN 81 5.632 42.424 -27.051 649 2HG GLN 81 2HG GLN 81 5.692 41.870 -25.376 650 1HE2 GLN 81 2HE2 GLN 81 7.452 43.050 -23.963 651 2HE2 GLN 81 1HE2 GLN 81 7.449 44.795 -24.135 652 H ARG 82 H ARG 82 9.844 43.372 -27.160 653 HA ARG 82 HA ARG 82 8.558 45.799 -27.885 654 1HB ARG 82 1HB ARG 82 10.392 45.630 -26.221 655 2HB ARG 82 2HB ARG 82 11.561 45.466 -27.550 656 1HG ARG 82 1HG ARG 82 10.904 47.661 -28.436 657 2HG ARG 82 2HG ARG 82 9.620 47.792 -27.215 658 1HD ARG 82 1HD ARG 82 11.327 47.753 -25.424 659 2HD ARG 82 2HD ARG 82 12.611 47.667 -26.657 660 HE ARG 82 HE ARG 82 11.022 49.876 -27.319 661 1HH1 ARG 82 1HH1 ARG 82 13.090 48.910 -24.612 662 2HH1 ARG 82 2HH1 ARG 82 13.487 50.542 -24.148 663 1HH2 ARG 82 1HH2 ARG 82 11.544 52.029 -26.718 664 2HH2 ARG 82 2HH2 ARG 82 12.599 52.336 -25.368 665 H ILE 83 H ILE 83 10.933 43.825 -29.824 666 HA ILE 83 HA ILE 83 11.187 45.818 -31.833 667 HB ILE 83 HB ILE 83 11.314 42.818 -32.415 668 1HG1 ILE 83 1HG1 ILE 83 12.528 42.756 -30.605 669 2HG1 ILE 83 2HG1 ILE 83 13.668 42.847 -31.957 670 1HG2 ILE 83 1HG2 ILE 83 11.521 44.330 -34.375 671 2HG2 ILE 83 2HG2 ILE 83 12.920 45.110 -33.606 672 3HG2 ILE 83 3HG2 ILE 83 12.987 43.403 -34.075 673 1HD1 ILE 83 1HD1 ILE 83 14.056 45.247 -31.399 674 2HD1 ILE 83 2HD1 ILE 83 13.025 45.041 -29.951 675 3HD1 ILE 83 3HD1 ILE 83 14.521 44.112 -30.109 676 H VAL 84 H VAL 84 9.141 42.931 -31.549 677 HA VAL 84 HA VAL 84 7.708 43.302 -33.982 678 HB VAL 84 HB VAL 84 6.759 41.949 -31.421 679 1HG1 VAL 84 1HG1 VAL 84 5.721 41.702 -34.274 680 2HG1 VAL 84 2HG1 VAL 84 5.246 40.655 -32.921 681 3HG1 VAL 84 3HG1 VAL 84 4.842 42.375 -32.881 682 1HG2 VAL 84 1HG2 VAL 84 8.870 40.931 -32.363 683 2HG2 VAL 84 2HG2 VAL 84 7.485 39.842 -32.456 684 3HG2 VAL 84 3HG2 VAL 84 8.031 40.706 -33.906 685 H SER 85 H SER 85 7.028 44.572 -30.774 686 HA SER 85 HA SER 85 4.677 46.009 -31.686 687 1HB SER 85 1HB SER 85 6.225 46.140 -29.081 688 2HB SER 85 2HB SER 85 4.665 46.926 -29.397 689 HG SER 85 HG SER 85 3.839 44.803 -29.888 690 H ALA 86 H ALA 86 6.787 46.611 -33.325 691 HA ALA 86 HA ALA 86 6.849 49.392 -33.568 692 1HB ALA 86 1HB ALA 86 8.448 49.329 -31.596 693 2HB ALA 86 2HB ALA 86 9.456 48.170 -32.483 694 3HB ALA 86 3HB ALA 86 9.267 49.836 -33.066 695 H GLN 87 H GLN 87 9.238 49.593 -35.047 696 HA GLN 87 HA GLN 87 9.886 49.239 -37.284 697 1HB GLN 87 1HB GLN 87 11.041 47.473 -35.851 698 2HB GLN 87 2HB GLN 87 9.843 46.316 -36.442 699 1HG GLN 87 1HG GLN 87 10.639 46.765 -38.787 700 2HG GLN 87 2HG GLN 87 11.763 47.975 -38.153 701 1HE2 GLN 87 2HE2 GLN 87 10.847 44.519 -37.544 702 2HE2 GLN 87 1HE2 GLN 87 12.500 43.957 -37.382 703 H SER 88 H SER 88 7.235 49.671 -37.030 704 HA SER 88 HA SER 88 6.085 48.667 -39.454 705 1HB SER 88 1HB SER 88 5.700 46.625 -38.104 706 2HB SER 88 2HB SER 88 4.959 47.590 -36.816 707 HG SER 88 HG SER 88 3.439 46.616 -38.249 708 H LEU 89 H LEU 89 5.492 49.950 -36.179 709 HA LEU 89 HA LEU 89 3.430 51.777 -37.085 710 1HB LEU 89 1HB LEU 89 3.066 52.283 -34.788 711 2HB LEU 89 2HB LEU 89 3.325 50.551 -34.964 712 HG LEU 89 HG LEU 89 5.865 51.417 -34.263 713 1HD1 LEU 89 1HD1 LEU 89 3.833 53.069 -32.691 714 2HD1 LEU 89 2HD1 LEU 89 5.515 52.786 -32.212 715 3HD1 LEU 89 3HD1 LEU 89 5.168 53.711 -33.668 716 1HD2 LEU 89 1HD2 LEU 89 4.563 49.466 -33.366 717 2HD2 LEU 89 2HD2 LEU 89 5.264 50.443 -32.060 718 3HD2 LEU 89 3HD2 LEU 89 3.542 50.591 -32.449 719 H GLY 90 H GLY 90 6.001 52.070 -38.240 720 1HA GLY 90 1HA GLY 90 6.972 54.750 -37.365 721 2HA GLY 90 2HA GLY 90 7.754 53.634 -38.491 722 H GLU 91 H GLU 91 7.965 55.135 -40.176 723 HA GLU 91 HA GLU 91 5.609 55.557 -41.819 724 1HB GLU 91 1HB GLU 91 5.673 57.514 -40.239 725 2HB GLU 91 2HB GLU 91 7.287 57.921 -40.840 726 1HG GLU 91 1HG GLU 91 6.356 58.375 -43.071 727 2HG GLU 91 2HG GLU 91 4.764 57.780 -42.555 728 H ASP 92 H ASP 92 6.349 56.070 -44.080 729 HA ASP 92 HA ASP 92 9.204 55.405 -44.569 730 1HB ASP 92 1HB ASP 92 7.528 53.675 -45.218 731 2HB ASP 92 2HB ASP 92 6.726 54.864 -46.259 732 H ASP 93 H ASP 93 10.030 56.371 -46.679 733 HA ASP 93 HA ASP 93 9.085 59.186 -46.952 734 1HB ASP 93 1HB ASP 93 11.255 59.715 -47.757 735 2HB ASP 93 2HB ASP 93 11.443 58.754 -46.292 736 H VAL 94 H VAL 94 9.783 60.004 -49.298 737 HA VAL 94 HA VAL 94 8.836 58.191 -51.427 738 HB VAL 94 HB VAL 94 7.637 60.938 -50.817 739 1HG1 VAL 94 1HG1 VAL 94 7.127 59.010 -53.127 740 2HG1 VAL 94 2HG1 VAL 94 6.167 60.462 -52.777 741 3HG1 VAL 94 3HG1 VAL 94 7.860 60.625 -53.245 742 1HG2 VAL 94 1HG2 VAL 94 6.385 58.155 -50.767 743 2HG2 VAL 94 2HG2 VAL 94 6.629 59.230 -49.371 744 3HG2 VAL 94 3HG2 VAL 94 5.487 59.681 -50.638 745 H GLU 95 H GLU 95 9.949 58.559 -53.293 746 HA GLU 95 HA GLU 95 12.198 60.437 -53.232 747 1HB GLU 95 1HB GLU 95 12.397 58.044 -53.955 748 2HB GLU 95 2HB GLU 95 11.348 58.406 -55.340 749 1HG GLU 95 1HG GLU 95 13.010 60.053 -56.156 750 2HG GLU 95 2HG GLU 95 14.030 59.738 -54.742 751 1H GLY 1 1H GLY 1 -12.775 22.569 -14.943 752 2H GLY 1 2H GLY 1 -14.185 22.288 -14.123 753 3H GLY 1 3H GLY 1 -12.729 21.756 -13.563 754 1HA GLY 1 1HA GLY 1 -13.963 19.920 -14.428 755 2HA GLY 1 2HA GLY 1 -14.083 20.778 -15.981 756 HA PRO 2 HA PRO 2 -10.085 18.224 -15.693 757 1HB PRO 2 1HB PRO 2 -10.678 16.019 -17.202 758 2HB PRO 2 2HB PRO 2 -11.116 16.179 -15.486 759 1HG PRO 2 1HG PRO 2 -12.937 16.660 -17.853 760 2HG PRO 2 2HG PRO 2 -13.256 15.729 -16.371 761 1HD PRO 2 1HD PRO 2 -14.040 18.356 -16.712 762 2HD PRO 2 2HD PRO 2 -13.619 17.663 -15.119 763 H ARG 3 H ARG 3 -11.374 17.256 -18.829 764 HA ARG 3 HA ARG 3 -10.847 17.749 -20.934 765 1HB ARG 3 1HB ARG 3 -10.916 20.558 -19.787 766 2HB ARG 3 2HB ARG 3 -10.622 20.250 -21.496 767 1HG ARG 3 1HG ARG 3 -12.753 18.968 -21.620 768 2HG ARG 3 2HG ARG 3 -13.101 19.462 -19.942 769 1HD ARG 3 1HD ARG 3 -12.958 21.835 -20.598 770 2HD ARG 3 2HD ARG 3 -12.465 21.372 -22.241 771 HE ARG 3 HE ARG 3 -14.963 20.143 -21.639 772 1HH1 ARG 3 1HH1 ARG 3 -13.557 23.308 -22.346 773 2HH1 ARG 3 2HH1 ARG 3 -14.997 23.958 -23.080 774 1HH2 ARG 3 1HH2 ARG 3 -16.879 20.977 -22.622 775 2HH2 ARG 3 2HH2 ARG 3 -16.916 22.604 -23.238 776 H LEU 4 H LEU 4 -9.246 19.119 -22.388 777 HA LEU 4 HA LEU 4 -7.259 18.745 -23.348 778 1HB LEU 4 1HB LEU 4 -7.438 20.994 -22.386 779 2HB LEU 4 2HB LEU 4 -6.470 20.511 -20.994 780 HG LEU 4 HG LEU 4 -5.573 21.899 -23.049 781 1HD1 LEU 4 1HD1 LEU 4 -4.268 21.004 -21.012 782 2HD1 LEU 4 2HD1 LEU 4 -3.667 19.772 -22.175 783 3HD1 LEU 4 3HD1 LEU 4 -3.378 21.486 -22.456 784 1HD2 LEU 4 1HD2 LEU 4 -6.144 20.241 -24.765 785 2HD2 LEU 4 2HD2 LEU 4 -4.396 20.583 -24.730 786 3HD2 LEU 4 3HD2 LEU 4 -5.010 19.074 -24.034 787 H SER 5 H SER 5 -7.692 16.450 -22.209 788 HA SER 5 HA SER 5 -5.011 15.518 -21.448 789 1HB SER 5 1HB SER 5 -5.997 14.151 -19.573 790 2HB SER 5 2HB SER 5 -5.838 15.893 -19.300 791 HG SER 5 HG SER 5 -7.975 16.182 -19.588 792 H ARG 6 H ARG 6 -7.378 15.271 -23.600 793 HA ARG 6 HA ARG 6 -7.896 12.486 -23.779 794 1HB ARG 6 1HB ARG 6 -9.126 14.339 -24.899 795 2HB ARG 6 2HB ARG 6 -7.783 14.582 -26.014 796 1HG ARG 6 1HG ARG 6 -9.290 11.939 -25.698 797 2HG ARG 6 2HG ARG 6 -9.787 13.230 -26.800 798 1HD ARG 6 1HD ARG 6 -7.566 13.078 -27.948 799 2HD ARG 6 2HD ARG 6 -7.207 11.629 -26.973 800 HE ARG 6 HE ARG 6 -9.726 11.226 -28.121 801 1HH1 ARG 6 1HH1 ARG 6 -6.382 11.590 -29.214 802 2HH1 ARG 6 2HH1 ARG 6 -6.595 10.628 -30.649 803 1HH2 ARG 6 1HH2 ARG 6 -10.021 9.957 -30.008 804 2HH2 ARG 6 2HH2 ARG 6 -8.695 9.677 -31.099 805 H LEU 7 H LEU 7 -5.529 14.582 -25.520 806 HA LEU 7 HA LEU 7 -4.107 12.512 -26.811 807 1HB LEU 7 1HB LEU 7 -2.397 14.033 -27.249 808 2HB LEU 7 2HB LEU 7 -3.951 14.792 -27.521 809 HG LEU 7 HG LEU 7 -2.537 16.433 -26.738 810 1HD1 LEU 7 1HD1 LEU 7 -4.634 16.762 -25.790 811 2HD1 LEU 7 2HD1 LEU 7 -4.247 15.801 -24.377 812 3HD1 LEU 7 3HD1 LEU 7 -3.353 17.309 -24.683 813 1HD2 LEU 7 1HD2 LEU 7 -0.732 14.984 -25.695 814 2HD2 LEU 7 2HD2 LEU 7 -1.127 16.415 -24.721 815 3HD2 LEU 7 3HD2 LEU 7 -1.731 14.862 -24.305 816 H LEU 8 H LEU 8 -3.622 13.795 -23.541 817 HA LEU 8 HA LEU 8 -1.140 12.474 -23.161 818 1HB LEU 8 1HB LEU 8 -3.114 13.368 -21.159 819 2HB LEU 8 2HB LEU 8 -1.496 12.751 -20.764 820 HG LEU 8 HG LEU 8 -1.233 15.029 -20.557 821 1HD1 LEU 8 1HD1 LEU 8 -0.043 14.388 -23.246 822 2HD1 LEU 8 2HD1 LEU 8 0.284 15.812 -22.285 823 3HD1 LEU 8 3HD1 LEU 8 0.639 14.202 -21.638 824 1HD2 LEU 8 1HD2 LEU 8 -3.147 15.365 -22.735 825 2HD2 LEU 8 2HD2 LEU 8 -2.996 16.161 -21.219 826 3HD2 LEU 8 3HD2 LEU 8 -1.936 16.629 -22.550 827 H SER 9 H SER 9 -4.185 10.970 -23.457 828 HA SER 9 HA SER 9 -3.724 8.706 -21.751 829 1HB SER 9 1HB SER 9 -5.270 8.795 -24.377 830 2HB SER 9 2HB SER 9 -5.493 7.677 -23.018 831 HG SER 9 HG SER 9 -6.062 10.450 -23.155 832 H TYR 10 H TYR 10 -2.205 9.813 -24.640 833 HA TYR 10 HA TYR 10 -1.469 7.345 -25.870 834 1HB TYR 10 1HB TYR 10 -0.233 8.748 -27.328 835 2HB TYR 10 2HB TYR 10 -1.756 9.550 -26.991 836 HD1 TYR 10 HD1 TYR 10 -0.074 10.456 -24.051 837 HD2 TYR 10 HD2 TYR 10 0.191 11.083 -28.328 838 HE1 TYR 10 HE1 TYR 10 1.148 12.478 -23.652 839 HE2 TYR 10 HE2 TYR 10 1.435 13.148 -27.897 840 HH TYR 10 HH TYR 10 2.347 14.565 -26.317 841 H ALA 11 H ALA 11 -0.322 8.573 -22.904 842 HA ALA 11 HA ALA 11 2.148 7.015 -23.061 843 1HB ALA 11 1HB ALA 11 2.755 9.175 -24.173 844 2HB ALA 11 2HB ALA 11 2.154 10.058 -22.767 845 3HB ALA 11 3HB ALA 11 3.578 9.012 -22.617 Start of MODEL 13 1 1H ARG 1 1H ARG 1 -0.543 9.443 -5.717 2 2H ARG 1 2H ARG 1 -1.151 10.088 -4.341 3 3H ARG 1 3H ARG 1 -0.652 8.511 -4.353 4 HA ARG 1 HA ARG 1 -2.363 7.890 -5.839 5 1HB ARG 1 1HB ARG 1 -3.378 9.610 -3.532 6 2HB ARG 1 2HB ARG 1 -4.408 8.503 -4.438 7 1HG ARG 1 1HG ARG 1 -1.982 7.631 -2.808 8 2HG ARG 1 2HG ARG 1 -3.673 7.579 -2.296 9 1HD ARG 1 1HD ARG 1 -4.209 6.071 -4.208 10 2HD ARG 1 2HD ARG 1 -2.476 6.008 -4.621 11 HE ARG 1 HE ARG 1 -2.719 5.334 -1.899 12 1HH1 ARG 1 1HH1 ARG 1 -3.712 4.007 -5.036 13 2HH1 ARG 1 2HH1 ARG 1 -3.633 2.349 -4.512 14 1HH2 ARG 1 1HH2 ARG 1 -2.605 3.138 -1.213 15 2HH2 ARG 1 2HH2 ARG 1 -2.997 1.855 -2.317 16 H ALA 2 H ALA 2 -4.769 8.882 -6.423 17 HA ALA 2 HA ALA 2 -4.407 10.337 -8.721 18 1HB ALA 2 1HB ALA 2 -6.391 9.016 -8.235 19 2HB ALA 2 2HB ALA 2 -6.870 10.143 -6.949 20 3HB ALA 2 3HB ALA 2 -6.865 10.677 -8.643 21 H GLY 3 H GLY 3 -4.059 12.615 -9.121 22 1HA GLY 3 1HA GLY 3 -3.731 14.798 -8.728 23 2HA GLY 3 2HA GLY 3 -5.254 14.743 -7.830 24 H LEU 4 H LEU 4 -2.052 13.232 -7.119 25 HA LEU 4 HA LEU 4 -1.654 14.980 -4.792 26 1HB LEU 4 1HB LEU 4 -2.875 12.419 -4.570 27 2HB LEU 4 2HB LEU 4 -1.194 12.155 -4.142 28 HG LEU 4 HG LEU 4 -2.496 12.520 -2.211 29 1HD1 LEU 4 1HD1 LEU 4 -0.198 13.481 -2.186 30 2HD1 LEU 4 2HD1 LEU 4 -0.902 15.079 -2.552 31 3HD1 LEU 4 3HD1 LEU 4 -1.318 14.249 -1.049 32 1HD2 LEU 4 1HD2 LEU 4 -4.357 13.800 -3.236 33 2HD2 LEU 4 2HD2 LEU 4 -3.806 14.456 -1.686 34 3HD2 LEU 4 3HD2 LEU 4 -3.345 15.261 -3.194 35 H SER 5 H SER 5 0.480 14.755 -3.941 36 HA SER 5 HA SER 5 2.808 14.685 -4.116 37 1HB SER 5 1HB SER 5 2.322 12.141 -5.696 38 2HB SER 5 2HB SER 5 3.785 12.640 -4.835 39 HG SER 5 HG SER 5 2.535 12.605 -2.899 40 H LYS 6 H LYS 6 2.921 16.642 -5.323 41 HA LYS 6 HA LYS 6 3.120 16.521 -8.211 42 1HB LYS 6 1HB LYS 6 1.954 18.289 -6.904 43 2HB LYS 6 2HB LYS 6 3.448 18.666 -6.049 44 1HG LYS 6 1HG LYS 6 4.403 19.463 -8.309 45 2HG LYS 6 2HG LYS 6 2.731 19.291 -8.928 46 1HD LYS 6 1HD LYS 6 2.039 20.597 -6.808 47 2HD LYS 6 2HD LYS 6 3.742 21.049 -6.682 48 1HE LYS 6 1HE LYS 6 1.841 21.515 -9.053 49 2HE LYS 6 2HE LYS 6 2.342 22.769 -7.922 50 1HZ LYS 6 1HZ LYS 6 4.289 21.308 -9.555 51 2HZ LYS 6 2HZ LYS 6 3.495 22.609 -10.141 52 3HZ LYS 6 3HZ LYS 6 4.475 22.767 -8.816 53 H LEU 7 H LEU 7 5.240 15.697 -8.913 54 HA LEU 7 HA LEU 7 7.427 15.246 -8.989 55 1HB LEU 7 1HB LEU 7 7.639 18.028 -7.764 56 2HB LEU 7 2HB LEU 7 8.973 17.147 -8.509 57 HG LEU 7 HG LEU 7 6.443 17.907 -10.039 58 1HD1 LEU 7 1HD1 LEU 7 9.087 19.388 -9.807 59 2HD1 LEU 7 2HD1 LEU 7 7.786 19.757 -10.962 60 3HD1 LEU 7 3HD1 LEU 7 7.503 19.943 -9.220 61 1HD2 LEU 7 1HD2 LEU 7 7.929 16.045 -10.988 62 2HD2 LEU 7 2HD2 LEU 7 7.845 17.491 -11.981 63 3HD2 LEU 7 3HD2 LEU 7 9.267 17.219 -10.991 64 HA PRO 8 HA PRO 8 7.757 14.011 -4.568 65 1HB PRO 8 1HB PRO 8 7.319 11.311 -4.821 66 2HB PRO 8 2HB PRO 8 6.039 12.524 -4.641 67 1HG PRO 8 1HG PRO 8 6.956 11.180 -7.187 68 2HG PRO 8 2HG PRO 8 5.303 11.560 -6.662 69 1HD PRO 8 1HD PRO 8 6.802 13.121 -8.430 70 2HD PRO 8 2HD PRO 8 5.469 13.738 -7.426 71 H ASP 9 H ASP 9 8.769 11.245 -6.580 72 HA ASP 9 HA ASP 9 11.470 11.411 -5.491 73 1HB ASP 9 1HB ASP 9 10.437 9.233 -5.646 74 2HB ASP 9 2HB ASP 9 10.157 9.426 -7.390 75 H LEU 10 H LEU 10 9.927 11.874 -8.661 76 HA LEU 10 HA LEU 10 10.424 12.875 -10.476 77 1HB LEU 10 1HB LEU 10 11.842 14.291 -8.447 78 2HB LEU 10 2HB LEU 10 13.049 14.046 -9.698 79 HG LEU 10 HG LEU 10 10.392 15.612 -9.895 80 1HD1 LEU 10 1HD1 LEU 10 13.293 16.300 -9.687 81 2HD1 LEU 10 2HD1 LEU 10 11.934 17.442 -9.964 82 3HD1 LEU 10 3HD1 LEU 10 12.013 16.489 -8.457 83 1HD2 LEU 10 1HD2 LEU 10 12.645 15.207 -11.955 84 2HD2 LEU 10 2HD2 LEU 10 10.984 14.608 -12.133 85 3HD2 LEU 10 3HD2 LEU 10 11.293 16.350 -12.105 86 H LYS 11 H LYS 11 12.793 10.676 -9.306 87 HA LYS 11 HA LYS 11 14.306 10.669 -11.826 88 1HB LYS 11 1HB LYS 11 14.293 8.654 -9.558 89 2HB LYS 11 2HB LYS 11 15.183 8.502 -11.047 90 1HG LYS 11 1HG LYS 11 16.845 9.416 -9.725 91 2HG LYS 11 2HG LYS 11 16.207 10.805 -10.591 92 1HD LYS 11 1HD LYS 11 16.384 11.664 -8.468 93 2HD LYS 11 2HD LYS 11 14.709 11.141 -8.451 94 1HE LYS 11 1HE LYS 11 17.141 9.718 -7.262 95 2HE LYS 11 2HE LYS 11 15.848 10.529 -6.363 96 1HZ LYS 11 1HZ LYS 11 15.439 8.121 -8.003 97 2HZ LYS 11 2HZ LYS 11 15.607 8.150 -6.364 98 3HZ LYS 11 3HZ LYS 11 14.323 8.870 -7.058 99 H ASP 12 H ASP 12 11.496 8.955 -10.540 100 HA ASP 12 HA ASP 12 11.466 7.003 -12.708 101 1HB ASP 12 1HB ASP 12 9.342 7.769 -10.681 102 2HB ASP 12 2HB ASP 12 9.205 6.444 -11.847 103 H ALA 13 H ALA 13 10.242 6.951 -14.464 104 HA ALA 13 HA ALA 13 9.498 9.408 -15.735 105 1HB ALA 13 1HB ALA 13 10.453 7.490 -16.971 106 2HB ALA 13 2HB ALA 13 8.989 6.540 -16.623 107 3HB ALA 13 3HB ALA 13 8.888 7.995 -17.639 108 H GLU 14 H GLU 14 7.635 6.677 -14.561 109 HA GLU 14 HA GLU 14 5.060 7.638 -15.289 110 1HB GLU 14 1HB GLU 14 5.306 5.326 -14.648 111 2HB GLU 14 2HB GLU 14 5.898 5.758 -13.035 112 1HG GLU 14 1HG GLU 14 3.557 4.964 -13.040 113 2HG GLU 14 2HG GLU 14 3.720 6.591 -12.383 114 H ALA 15 H ALA 15 7.029 8.234 -12.411 115 HA ALA 15 HA ALA 15 5.039 9.718 -10.952 116 1HB ALA 15 1HB ALA 15 7.063 8.721 -9.878 117 2HB ALA 15 2HB ALA 15 8.083 9.878 -10.769 118 3HB ALA 15 3HB ALA 15 6.925 10.463 -9.563 119 H VAL 16 H VAL 16 7.113 10.473 -13.611 120 HA VAL 16 HA VAL 16 6.828 13.412 -13.290 121 HB VAL 16 HB VAL 16 8.703 11.653 -14.641 122 1HG1 VAL 16 1HG1 VAL 16 7.793 14.000 -16.289 123 2HG1 VAL 16 2HG1 VAL 16 9.231 12.994 -16.559 124 3HG1 VAL 16 3HG1 VAL 16 7.631 12.276 -16.731 125 1HG2 VAL 16 1HG2 VAL 16 9.335 13.052 -12.907 126 2HG2 VAL 16 2HG2 VAL 16 10.243 13.317 -14.403 127 3HG2 VAL 16 3HG2 VAL 16 8.982 14.488 -13.924 128 H GLN 17 H GLN 17 5.578 10.645 -15.123 129 HA GLN 17 HA GLN 17 4.188 12.239 -17.060 130 1HB GLN 17 1HB GLN 17 4.697 9.740 -17.305 131 2HB GLN 17 2HB GLN 17 3.352 9.460 -16.187 132 1HG GLN 17 1HG GLN 17 2.451 9.164 -18.316 133 2HG GLN 17 2HG GLN 17 1.874 10.759 -17.829 134 1HE2 GLN 17 2HE2 GLN 17 2.022 9.737 -20.605 135 2HE2 GLN 17 1HE2 GLN 17 3.165 10.774 -21.414 136 H LYS 18 H LYS 18 3.220 10.680 -13.996 137 HA LYS 18 HA LYS 18 0.532 11.508 -14.097 138 1HB LYS 18 1HB LYS 18 0.245 10.738 -11.978 139 2HB LYS 18 2HB LYS 18 1.549 9.762 -12.611 140 1HG LYS 18 1HG LYS 18 2.714 10.165 -10.806 141 2HG LYS 18 2HG LYS 18 2.855 11.871 -11.168 142 1HD LYS 18 1HD LYS 18 0.560 10.508 -9.676 143 2HD LYS 18 2HD LYS 18 1.900 11.333 -8.886 144 1HE LYS 18 1HE LYS 18 -0.006 12.780 -10.789 145 2HE LYS 18 2HE LYS 18 -0.326 12.596 -9.073 146 1HZ LYS 18 1HZ LYS 18 1.700 13.747 -8.577 147 2HZ LYS 18 2HZ LYS 18 2.046 13.909 -10.184 148 3HZ LYS 18 3HZ LYS 18 0.740 14.671 -9.535 149 H PHE 19 H PHE 19 3.356 13.198 -12.747 150 HA PHE 19 HA PHE 19 1.840 15.471 -11.800 151 1HB PHE 19 1HB PHE 19 3.881 15.294 -10.696 152 2HB PHE 19 2HB PHE 19 4.753 14.816 -12.160 153 HD1 PHE 19 HD1 PHE 19 2.980 17.745 -10.615 154 HD2 PHE 19 HD2 PHE 19 5.875 16.382 -13.501 155 HE1 PHE 19 HE1 PHE 19 3.610 20.088 -11.099 156 HE2 PHE 19 HE2 PHE 19 6.477 18.755 -13.967 157 HZ PHE 19 HZ PHE 19 5.417 20.564 -12.843 158 H PHE 20 H PHE 20 3.795 14.875 -14.739 159 HA PHE 20 HA PHE 20 3.749 17.396 -15.895 160 1HB PHE 20 1HB PHE 20 5.042 15.701 -16.875 161 2HB PHE 20 2HB PHE 20 3.654 14.628 -17.113 162 HD1 PHE 20 HD1 PHE 20 4.629 18.101 -18.089 163 HD2 PHE 20 HD2 PHE 20 3.181 14.248 -19.347 164 HE1 PHE 20 HE1 PHE 20 4.561 18.898 -20.442 165 HE2 PHE 20 HE2 PHE 20 3.118 15.046 -21.694 166 HZ PHE 20 HZ PHE 20 3.819 17.348 -22.241 167 H LEU 21 H LEU 21 1.367 14.750 -16.268 168 HA LEU 21 HA LEU 21 -0.634 16.247 -17.706 169 1HB LEU 21 1HB LEU 21 -0.282 13.577 -16.341 170 2HB LEU 21 2HB LEU 21 -1.910 14.162 -16.253 171 HG LEU 21 HG LEU 21 -0.484 13.795 -18.974 172 1HD1 LEU 21 1HD1 LEU 21 -2.237 11.920 -17.339 173 2HD1 LEU 21 2HD1 LEU 21 -1.710 11.668 -19.017 174 3HD1 LEU 21 3HD1 LEU 21 -0.517 11.705 -17.719 175 1HD2 LEU 21 1HD2 LEU 21 -3.213 14.658 -17.969 176 2HD2 LEU 21 2HD2 LEU 21 -2.322 15.180 -19.384 177 3HD2 LEU 21 3HD2 LEU 21 -3.130 13.592 -19.353 178 H GLU 22 H GLU 22 -0.128 15.663 -14.236 179 HA GLU 22 HA GLU 22 -2.570 16.797 -13.352 180 1HB GLU 22 1HB GLU 22 -0.956 15.553 -11.903 181 2HB GLU 22 2HB GLU 22 0.126 16.963 -11.950 182 1HG GLU 22 1HG GLU 22 -1.502 18.310 -10.766 183 2HG GLU 22 2HG GLU 22 -2.674 16.981 -10.816 184 H GLU 23 H GLU 23 0.480 18.359 -14.406 185 HA GLU 23 HA GLU 23 -0.391 20.984 -13.559 186 1HB GLU 23 1HB GLU 23 2.074 19.997 -13.786 187 2HB GLU 23 2HB GLU 23 1.920 20.718 -15.396 188 1HG GLU 23 1HG GLU 23 2.621 22.597 -14.241 189 2HG GLU 23 2HG GLU 23 0.892 22.756 -13.912 190 H ILE 24 H ILE 24 -0.190 19.150 -16.542 191 HA ILE 24 HA ILE 24 -0.998 21.209 -18.404 192 HB ILE 24 HB ILE 24 -0.581 18.301 -18.525 193 1HG1 ILE 24 1HG1 ILE 24 -0.345 20.451 -20.617 194 2HG1 ILE 24 2HG1 ILE 24 0.867 19.332 -19.966 195 1HG2 ILE 24 1HG2 ILE 24 -3.111 18.177 -18.764 196 2HG2 ILE 24 2HG2 ILE 24 -2.849 18.968 -20.306 197 3HG2 ILE 24 3HG2 ILE 24 -2.068 17.448 -19.916 198 1HD1 ILE 24 1HD1 ILE 24 -0.208 17.485 -21.127 199 2HD1 ILE 24 2HD1 ILE 24 -1.413 18.610 -21.826 200 3HD1 ILE 24 3HD1 ILE 24 0.267 18.812 -22.207 201 H GLN 25 H GLN 25 -2.872 18.923 -16.465 202 HA GLN 25 HA GLN 25 -5.443 20.041 -17.296 203 1HB GLN 25 1HB GLN 25 -4.678 18.228 -14.950 204 2HB GLN 25 2HB GLN 25 -6.335 18.570 -15.442 205 1HG GLN 25 1HG GLN 25 -6.073 17.282 -17.510 206 2HG GLN 25 2HG GLN 25 -4.345 17.079 -17.236 207 1HE2 GLN 25 2HE2 GLN 25 -3.637 15.952 -15.273 208 2HE2 GLN 25 1HE2 GLN 25 -4.610 14.596 -14.727 209 H LEU 26 H LEU 26 -3.608 20.277 -14.301 210 HA LEU 26 HA LEU 26 -5.334 22.026 -12.891 211 1HB LEU 26 1HB LEU 26 -3.573 20.981 -11.749 212 2HB LEU 26 2HB LEU 26 -2.343 21.706 -12.808 213 HG LEU 26 HG LEU 26 -2.230 22.545 -10.625 214 1HD1 LEU 26 1HD1 LEU 26 -1.738 24.051 -12.622 215 2HD1 LEU 26 2HD1 LEU 26 -3.267 24.884 -12.219 216 3HD1 LEU 26 3HD1 LEU 26 -1.985 24.796 -11.022 217 1HD2 LEU 26 1HD2 LEU 26 -4.531 22.274 -9.943 218 2HD2 LEU 26 2HD2 LEU 26 -3.953 23.933 -9.635 219 3HD2 LEU 26 3HD2 LEU 26 -5.031 23.608 -11.022 220 H GLY 27 H GLY 27 -2.809 22.785 -15.304 221 1HA GLY 27 1HA GLY 27 -3.055 25.642 -15.218 222 2HA GLY 27 2HA GLY 27 -2.466 24.704 -16.612 223 H GLU 28 H GLU 28 -4.430 23.406 -17.812 224 HA GLU 28 HA GLU 28 -6.101 25.474 -18.734 225 1HB GLU 28 1HB GLU 28 -6.532 22.486 -18.949 226 2HB GLU 28 2HB GLU 28 -7.628 23.728 -19.564 227 1HG GLU 28 1HG GLU 28 -5.584 24.774 -20.749 228 2HG GLU 28 2HG GLU 28 -4.834 23.199 -20.521 229 H GLU 29 H GLU 29 -6.670 23.515 -15.904 230 HA GLU 29 HA GLU 29 -9.439 24.311 -15.551 231 1HB GLU 29 1HB GLU 29 -8.733 22.307 -14.542 232 2HB GLU 29 2HB GLU 29 -7.419 23.109 -13.651 233 1HG GLU 29 1HG GLU 29 -8.989 24.289 -12.253 234 2HG GLU 29 2HG GLU 29 -10.361 23.690 -13.211 235 H LEU 30 H LEU 30 -6.317 25.629 -14.289 236 HA LEU 30 HA LEU 30 -7.675 27.693 -12.794 237 1HB LEU 30 1HB LEU 30 -4.833 27.169 -13.770 238 2HB LEU 30 2HB LEU 30 -5.233 28.810 -13.325 239 HG LEU 30 HG LEU 30 -5.336 26.428 -11.427 240 1HD1 LEU 30 1HD1 LEU 30 -3.084 27.229 -12.151 241 2HD1 LEU 30 2HD1 LEU 30 -3.497 28.848 -11.562 242 3HD1 LEU 30 3HD1 LEU 30 -3.407 27.485 -10.424 243 1HD2 LEU 30 1HD2 LEU 30 -5.854 29.427 -10.967 244 2HD2 LEU 30 2HD2 LEU 30 -7.030 28.122 -10.706 245 3HD2 LEU 30 3HD2 LEU 30 -5.603 28.243 -9.678 246 H LEU 31 H LEU 31 -6.477 27.443 -16.118 247 HA LEU 31 HA LEU 31 -7.188 30.213 -16.802 248 1HB LEU 31 1HB LEU 31 -6.768 27.680 -18.397 249 2HB LEU 31 2HB LEU 31 -7.104 29.245 -19.145 250 HG LEU 31 HG LEU 31 -5.058 30.124 -18.676 251 1HD1 LEU 31 1HD1 LEU 31 -5.135 29.885 -16.128 252 2HD1 LEU 31 2HD1 LEU 31 -4.334 28.322 -16.345 253 3HD1 LEU 31 3HD1 LEU 31 -3.601 29.809 -16.922 254 1HD2 LEU 31 1HD2 LEU 31 -4.945 27.939 -19.930 255 2HD2 LEU 31 2HD2 LEU 31 -3.418 28.451 -19.150 256 3HD2 LEU 31 3HD2 LEU 31 -4.420 27.183 -18.416 257 H ALA 32 H ALA 32 -8.934 27.195 -16.609 258 HA ALA 32 HA ALA 32 -11.304 28.126 -17.874 259 1HB ALA 32 1HB ALA 32 -10.842 25.711 -17.201 260 2HB ALA 32 2HB ALA 32 -11.302 26.156 -15.544 261 3HB ALA 32 3HB ALA 32 -12.473 26.303 -16.841 262 H GLN 33 H GLN 33 -9.811 28.999 -14.871 263 HA GLN 33 HA GLN 33 -12.233 30.299 -13.815 264 1HB GLN 33 1HB GLN 33 -10.014 29.015 -12.610 265 2HB GLN 33 2HB GLN 33 -9.719 30.741 -12.360 266 1HG GLN 33 1HG GLN 33 -12.078 30.919 -11.461 267 2HG GLN 33 2HG GLN 33 -12.245 29.168 -11.681 268 1HE2 GLN 33 2HE2 GLN 33 -9.968 31.537 -10.135 269 2HE2 GLN 33 1HE2 GLN 33 -9.711 30.570 -8.696 270 H GLY 34 H GLY 34 -9.127 30.860 -15.281 271 1HA GLY 34 1HA GLY 34 -9.076 32.696 -16.941 272 2HA GLY 34 2HA GLY 34 -9.689 33.774 -15.689 273 H ASP 35 H ASP 35 -7.339 31.413 -14.565 274 HA ASP 35 HA ASP 35 -5.482 33.694 -14.152 275 1HB ASP 35 1HB ASP 35 -6.167 32.139 -12.326 276 2HB ASP 35 2HB ASP 35 -5.146 30.910 -13.076 277 H TYR 36 H TYR 36 -5.369 33.496 -16.684 278 HA TYR 36 HA TYR 36 -3.741 31.801 -18.147 279 1HB TYR 36 1HB TYR 36 -3.584 34.772 -18.508 280 2HB TYR 36 2HB TYR 36 -3.568 33.479 -19.711 281 HD1 TYR 36 HD1 TYR 36 -5.819 32.013 -19.800 282 HD2 TYR 36 HD2 TYR 36 -5.543 36.021 -18.230 283 HE1 TYR 36 HE1 TYR 36 -8.256 32.315 -20.137 284 HE2 TYR 36 HE2 TYR 36 -7.972 36.320 -18.568 285 HH TYR 36 HH TYR 36 -9.940 35.345 -19.255 286 H GLU 37 H GLU 37 -2.755 34.448 -16.135 287 HA GLU 37 HA GLU 37 -0.010 34.544 -16.672 288 1HB GLU 37 1HB GLU 37 -1.612 35.137 -14.151 289 2HB GLU 37 2HB GLU 37 0.126 35.442 -14.274 290 1HG GLU 37 1HG GLU 37 -1.134 37.489 -14.720 291 2HG GLU 37 2HG GLU 37 -0.199 36.989 -16.136 292 H LYS 38 H LYS 38 -1.771 32.572 -14.371 293 HA LYS 38 HA LYS 38 0.660 31.121 -13.588 294 1HB LYS 38 1HB LYS 38 -2.277 30.729 -12.925 295 2HB LYS 38 2HB LYS 38 -1.081 29.550 -12.452 296 1HG LYS 38 1HG LYS 38 -1.090 32.484 -11.624 297 2HG LYS 38 2HG LYS 38 -1.543 31.111 -10.619 298 1HD LYS 38 1HD LYS 38 1.248 31.838 -11.621 299 2HD LYS 38 2HD LYS 38 0.648 31.807 -9.965 300 1HE LYS 38 1HE LYS 38 0.365 29.354 -10.082 301 2HE LYS 38 2HE LYS 38 0.987 29.353 -11.755 302 1HZ LYS 38 1HZ LYS 38 2.593 30.272 -9.506 303 2HZ LYS 38 2HZ LYS 38 2.583 28.733 -10.096 304 3HZ LYS 38 3HZ LYS 38 3.073 29.945 -11.058 305 H GLY 39 H GLY 39 -1.849 30.679 -16.038 306 1HA GLY 39 1HA GLY 39 -1.324 27.937 -16.624 307 2HA GLY 39 2HA GLY 39 -1.826 29.176 -17.805 308 H VAL 40 H VAL 40 0.263 30.984 -17.651 309 HA VAL 40 HA VAL 40 2.006 29.762 -19.556 310 HB VAL 40 HB VAL 40 2.330 32.340 -17.918 311 1HG1 VAL 40 1HG1 VAL 40 4.036 31.246 -20.161 312 2HG1 VAL 40 2HG1 VAL 40 4.066 32.937 -19.627 313 3HG1 VAL 40 3HG1 VAL 40 4.553 31.656 -18.521 314 1HG2 VAL 40 1HG2 VAL 40 1.404 31.813 -20.789 315 2HG2 VAL 40 2HG2 VAL 40 0.481 32.567 -19.484 316 3HG2 VAL 40 3HG2 VAL 40 1.847 33.401 -20.196 317 H ASP 41 H ASP 41 2.510 30.503 -16.145 318 HA ASP 41 HA ASP 41 5.161 29.475 -15.933 319 1HB ASP 41 1HB ASP 41 4.265 30.996 -14.253 320 2HB ASP 41 2HB ASP 41 2.989 29.846 -13.823 321 H HIS 42 H HIS 42 2.058 28.017 -15.127 322 HA HIS 42 HA HIS 42 3.073 25.472 -14.315 323 1HB HIS 42 1HB HIS 42 0.318 26.399 -15.210 324 2HB HIS 42 2HB HIS 42 0.651 24.759 -14.680 325 HD1 HIS 42 HD1 HIS 42 -1.284 26.628 -13.104 326 HD2 HIS 42 HD2 HIS 42 2.758 26.062 -12.146 327 HE1 HIS 42 HE1 HIS 42 -0.985 27.199 -10.639 328 H LEU 43 H LEU 43 2.114 26.745 -17.524 329 HA LEU 43 HA LEU 43 2.388 24.067 -18.661 330 1HB LEU 43 1HB LEU 43 1.073 26.139 -19.666 331 2HB LEU 43 2HB LEU 43 2.660 26.550 -20.339 332 HG LEU 43 HG LEU 43 2.634 24.003 -21.086 333 1HD1 LEU 43 1HD1 LEU 43 0.550 23.375 -19.804 334 2HD1 LEU 43 2HD1 LEU 43 -0.371 24.548 -20.761 335 3HD1 LEU 43 3HD1 LEU 43 0.352 23.135 -21.545 336 1HD2 LEU 43 1HD2 LEU 43 0.781 26.084 -22.353 337 2HD2 LEU 43 2HD2 LEU 43 2.521 25.895 -22.671 338 3HD2 LEU 43 3HD2 LEU 43 1.387 24.624 -23.167 339 H THR 44 H THR 44 4.493 26.975 -18.247 340 HA THR 44 HA THR 44 6.720 26.021 -19.625 341 HB THR 44 HB THR 44 6.716 27.745 -17.146 342 HG1 THR 44 HG1 THR 44 6.812 28.244 -19.941 343 1HG2 THR 44 1HG2 THR 44 8.897 27.149 -19.193 344 2HG2 THR 44 2HG2 THR 44 8.936 28.475 -18.010 345 3HG2 THR 44 3HG2 THR 44 8.957 26.798 -17.450 346 H ASN 45 H ASN 45 5.540 25.244 -16.431 347 HA ASN 45 HA ASN 45 7.767 23.687 -15.460 348 1HB ASN 45 1HB ASN 45 4.884 23.937 -14.607 349 2HB ASN 45 2HB ASN 45 5.853 22.591 -14.027 350 1HD2 ASN 45 2HD2 ASN 45 6.032 26.198 -14.332 351 2HD2 ASN 45 1HD2 ASN 45 6.855 26.425 -12.817 352 H ALA 46 H ALA 46 4.721 22.864 -17.177 353 HA ALA 46 HA ALA 46 5.068 20.106 -17.222 354 1HB ALA 46 1HB ALA 46 3.017 21.425 -17.812 355 2HB ALA 46 2HB ALA 46 3.714 21.704 -19.420 356 3HB ALA 46 3HB ALA 46 3.343 20.064 -18.865 357 H ILE 47 H ILE 47 6.245 22.608 -19.535 358 HA ILE 47 HA ILE 47 7.639 20.777 -21.253 359 HB ILE 47 HB ILE 47 8.139 23.722 -20.725 360 1HG1 ILE 47 1HG1 ILE 47 7.333 23.876 -23.201 361 2HG1 ILE 47 2HG1 ILE 47 6.709 22.236 -23.004 362 1HG2 ILE 47 1HG2 ILE 47 9.591 22.000 -22.700 363 2HG2 ILE 47 2HG2 ILE 47 9.599 23.782 -22.685 364 3HG2 ILE 47 3HG2 ILE 47 10.273 22.911 -21.343 365 1HD1 ILE 47 1HD1 ILE 47 6.004 24.574 -21.199 366 2HD1 ILE 47 2HD1 ILE 47 5.069 24.146 -22.629 367 3HD1 ILE 47 3HD1 ILE 47 5.177 22.985 -21.307 368 H ALA 48 H ALA 48 8.550 22.334 -18.285 369 HA ALA 48 HA ALA 48 11.338 21.882 -18.419 370 1HB ALA 48 1HB ALA 48 10.237 23.446 -16.783 371 2HB ALA 48 2HB ALA 48 9.718 22.023 -15.847 372 3HB ALA 48 3HB ALA 48 11.436 22.353 -16.066 373 H VAL 49 H VAL 49 8.671 19.810 -17.439 374 HA VAL 49 HA VAL 49 10.628 17.705 -16.633 375 HB VAL 49 HB VAL 49 8.854 16.637 -15.585 376 1HG1 VAL 49 1HG1 VAL 49 9.989 18.780 -14.649 377 2HG1 VAL 49 2HG1 VAL 49 8.439 19.583 -14.957 378 3HG1 VAL 49 3HG1 VAL 49 8.530 18.202 -13.852 379 1HG2 VAL 49 1HG2 VAL 49 7.000 17.200 -17.267 380 2HG2 VAL 49 2HG2 VAL 49 6.560 17.255 -15.569 381 3HG2 VAL 49 3HG2 VAL 49 6.862 18.766 -16.438 382 H CYS 50 H CYS 50 8.684 18.636 -19.363 383 HA CYS 50 HA CYS 50 8.517 15.829 -20.328 384 1HB CYS 50 1HB CYS 50 6.653 17.178 -20.714 385 2HB CYS 50 2HB CYS 50 7.607 18.457 -21.510 386 HG CYS 50 HG CYS 50 6.233 17.165 -23.293 387 H GLY 51 H GLY 51 10.171 18.890 -21.309 388 1HA GLY 51 1HA GLY 51 12.253 19.151 -22.237 389 2HA GLY 51 2HA GLY 51 12.520 17.405 -22.195 390 H GLN 52 H GLN 52 9.553 18.007 -23.694 391 HA GLN 52 HA GLN 52 10.647 18.168 -26.520 392 1HB GLN 52 1HB GLN 52 8.340 16.475 -25.532 393 2HB GLN 52 2HB GLN 52 9.042 16.583 -27.158 394 1HG GLN 52 1HG GLN 52 11.157 15.603 -26.284 395 2HG GLN 52 2HG GLN 52 10.419 15.470 -24.675 396 1HE2 GLN 52 2HE2 GLN 52 11.094 13.144 -25.062 397 2HE2 GLN 52 1HE2 GLN 52 9.914 12.110 -25.846 398 HA PRO 53 HA PRO 53 7.605 21.480 -25.059 399 1HB PRO 53 1HB PRO 53 8.874 23.552 -26.504 400 2HB PRO 53 2HB PRO 53 9.040 23.209 -24.773 401 1HG PRO 53 1HG PRO 53 10.846 22.318 -27.019 402 2HG PRO 53 2HG PRO 53 11.304 22.952 -25.414 403 1HD PRO 53 1HD PRO 53 11.378 20.341 -25.868 404 2HD PRO 53 2HD PRO 53 10.683 20.946 -24.340 405 H GLN 54 H GLN 54 9.259 21.454 -28.176 406 HA GLN 54 HA GLN 54 7.072 22.373 -29.744 407 1HB GLN 54 1HB GLN 54 9.323 20.515 -30.660 408 2HB GLN 54 2HB GLN 54 8.343 21.581 -31.679 409 1HG GLN 54 1HG GLN 54 9.349 23.578 -30.486 410 2HG GLN 54 2HG GLN 54 10.399 22.480 -29.579 411 1HE2 GLN 54 2HE2 GLN 54 11.645 24.396 -30.975 412 2HE2 GLN 54 1HE2 GLN 54 12.404 23.711 -32.399 413 H GLN 55 H GLN 55 7.906 19.011 -28.926 414 HA GLN 55 HA GLN 55 5.857 17.885 -30.561 415 1HB GLN 55 1HB GLN 55 7.715 16.540 -29.417 416 2HB GLN 55 2HB GLN 55 6.854 16.786 -27.887 417 1HG GLN 55 1HG GLN 55 6.309 14.625 -28.681 418 2HG GLN 55 2HG GLN 55 4.857 15.608 -28.865 419 1HE2 GLN 55 2HE2 GLN 55 3.926 15.725 -30.962 420 2HE2 GLN 55 1HE2 GLN 55 4.709 15.041 -32.372 421 H LEU 56 H LEU 56 5.904 18.919 -27.174 422 HA LEU 56 HA LEU 56 3.198 18.347 -26.744 423 1HB LEU 56 1HB LEU 56 4.843 18.721 -24.908 424 2HB LEU 56 2HB LEU 56 4.818 20.451 -25.278 425 HG LEU 56 HG LEU 56 2.378 20.501 -24.737 426 1HD1 LEU 56 1HD1 LEU 56 2.654 17.562 -24.622 427 2HD1 LEU 56 2HD1 LEU 56 2.093 18.203 -23.084 428 3HD1 LEU 56 3HD1 LEU 56 1.188 18.537 -24.514 429 1HD2 LEU 56 1HD2 LEU 56 4.350 19.592 -22.645 430 2HD2 LEU 56 2HD2 LEU 56 3.994 21.242 -23.169 431 3HD2 LEU 56 3HD2 LEU 56 2.765 20.324 -22.283 432 H LEU 57 H LEU 57 4.774 21.247 -28.124 433 HA LEU 57 HA LEU 57 2.371 22.841 -28.035 434 1HB LEU 57 1HB LEU 57 4.754 23.106 -29.919 435 2HB LEU 57 2HB LEU 57 3.467 24.291 -29.699 436 HG LEU 57 HG LEU 57 5.602 23.556 -27.654 437 1HD1 LEU 57 1HD1 LEU 57 5.059 26.003 -29.300 438 2HD1 LEU 57 2HD1 LEU 57 6.226 25.912 -27.955 439 3HD1 LEU 57 3HD1 LEU 57 6.437 24.905 -29.396 440 1HD2 LEU 57 1HD2 LEU 57 3.174 25.336 -27.275 441 2HD2 LEU 57 2HD2 LEU 57 3.624 23.904 -26.330 442 3HD2 LEU 57 3HD2 LEU 57 4.616 25.354 -26.237 443 H GLN 58 H GLN 58 3.616 20.622 -30.568 444 HA GLN 58 HA GLN 58 1.436 21.397 -32.298 445 1HB GLN 58 1HB GLN 58 1.939 19.653 -33.743 446 2HB GLN 58 2HB GLN 58 3.441 20.366 -33.184 447 1HG GLN 58 1HG GLN 58 3.744 18.014 -33.404 448 2HG GLN 58 2HG GLN 58 3.838 18.443 -31.707 449 1HE2 GLN 58 2HE2 GLN 58 1.020 17.788 -33.925 450 2HE2 GLN 58 1HE2 GLN 58 0.375 16.477 -32.965 451 H VAL 59 H VAL 59 1.861 18.923 -29.815 452 HA VAL 59 HA VAL 59 -0.651 17.672 -30.135 453 HB VAL 59 HB VAL 59 1.557 17.098 -28.623 454 1HG1 VAL 59 1HG1 VAL 59 -0.725 17.740 -26.676 455 2HG1 VAL 59 2HG1 VAL 59 0.730 16.792 -26.277 456 3HG1 VAL 59 3HG1 VAL 59 0.861 18.476 -26.673 457 1HG2 VAL 59 1HG2 VAL 59 -1.053 15.786 -28.575 458 2HG2 VAL 59 2HG2 VAL 59 0.404 15.455 -29.538 459 3HG2 VAL 59 3HG2 VAL 59 0.450 15.244 -27.786 460 H LEU 60 H LEU 60 0.250 20.593 -28.336 461 HA LEU 60 HA LEU 60 -2.351 20.864 -27.003 462 1HB LEU 60 1HB LEU 60 0.146 22.514 -27.410 463 2HB LEU 60 2HB LEU 60 -1.311 23.355 -26.964 464 HG LEU 60 HG LEU 60 0.440 22.677 -25.242 465 1HD1 LEU 60 1HD1 LEU 60 -1.733 23.845 -24.710 466 2HD1 LEU 60 2HD1 LEU 60 -2.582 22.286 -24.730 467 3HD1 LEU 60 3HD1 LEU 60 -1.391 22.631 -23.468 468 1HD2 LEU 60 1HD2 LEU 60 0.311 20.220 -25.599 469 2HD2 LEU 60 2HD2 LEU 60 -0.004 20.685 -23.929 470 3HD2 LEU 60 3HD2 LEU 60 -1.341 20.194 -24.984 471 H GLN 61 H GLN 61 -0.903 21.941 -30.092 472 HA GLN 61 HA GLN 61 -3.009 23.919 -30.537 473 1HB GLN 61 1HB GLN 61 -0.866 24.331 -31.493 474 2HB GLN 61 2HB GLN 61 -0.821 22.780 -32.330 475 1HG GLN 61 1HG GLN 61 -2.962 24.855 -32.943 476 2HG GLN 61 2HG GLN 61 -1.349 24.937 -33.654 477 1HE2 GLN 61 2HE2 GLN 61 -4.453 23.578 -34.086 478 2HE2 GLN 61 1HE2 GLN 61 -4.009 22.460 -35.360 479 H GLN 62 H GLN 62 -2.257 20.696 -31.508 480 HA GLN 62 HA GLN 62 -4.257 20.132 -33.411 481 1HB GLN 62 1HB GLN 62 -2.200 18.913 -33.236 482 2HB GLN 62 2HB GLN 62 -2.528 18.494 -31.533 483 1HG GLN 62 1HG GLN 62 -4.372 17.083 -32.194 484 2HG GLN 62 2HG GLN 62 -4.105 17.537 -33.903 485 1HE2 GLN 62 2HE2 GLN 62 -2.295 16.238 -31.042 486 2HE2 GLN 62 1HE2 GLN 62 -1.368 15.060 -31.950 487 H THR 63 H THR 63 -4.159 19.707 -29.816 488 HA THR 63 HA THR 63 -6.760 18.404 -29.880 489 HB THR 63 HB THR 63 -4.930 17.808 -28.333 490 HG1 THR 63 HG1 THR 63 -6.508 17.392 -26.690 491 1HG2 THR 63 1HG2 THR 63 -5.961 20.191 -26.760 492 2HG2 THR 63 2HG2 THR 63 -4.912 18.936 -26.142 493 3HG2 THR 63 3HG2 THR 63 -4.318 19.980 -27.432 494 H LEU 64 H LEU 64 -5.593 21.689 -29.402 495 HA LEU 64 HA LEU 64 -8.224 22.679 -29.889 496 1HB LEU 64 1HB LEU 64 -9.050 23.427 -27.913 497 2HB LEU 64 2HB LEU 64 -8.292 21.966 -27.336 498 HG LEU 64 HG LEU 64 -7.043 24.746 -27.112 499 1HD1 LEU 64 1HD1 LEU 64 -9.143 24.607 -25.864 500 2HD1 LEU 64 2HD1 LEU 64 -8.584 23.121 -25.062 501 3HD1 LEU 64 3HD1 LEU 64 -7.744 24.661 -24.778 502 1HD2 LEU 64 1HD2 LEU 64 -5.473 22.729 -27.024 503 2HD2 LEU 64 2HD2 LEU 64 -5.495 23.745 -25.579 504 3HD2 LEU 64 3HD2 LEU 64 -6.363 22.196 -25.589 505 HA PRO 65 HA PRO 65 -5.794 26.212 -31.090 506 1HB PRO 65 1HB PRO 65 -7.566 28.291 -30.982 507 2HB PRO 65 2HB PRO 65 -7.597 27.013 -32.229 508 1HG PRO 65 1HG PRO 65 -9.270 27.172 -29.711 509 2HG PRO 65 2HG PRO 65 -9.814 26.821 -31.376 510 1HD PRO 65 1HD PRO 65 -9.345 24.851 -29.574 511 2HD PRO 65 2HD PRO 65 -8.919 24.628 -31.295 512 HA PRO 66 HA PRO 66 -5.067 27.512 -26.716 513 1HB PRO 66 1HB PRO 66 -2.445 27.370 -26.611 514 2HB PRO 66 2HB PRO 66 -3.425 25.925 -26.945 515 1HG PRO 66 1HG PRO 66 -1.843 27.542 -28.949 516 2HG PRO 66 2HG PRO 66 -2.046 25.778 -28.824 517 1HD PRO 66 1HD PRO 66 -3.591 27.618 -30.406 518 2HD PRO 66 2HD PRO 66 -3.906 25.890 -30.134 519 HA PRO 67 HA PRO 67 -4.275 31.931 -27.982 520 1HB PRO 67 1HB PRO 67 -5.842 33.186 -26.142 521 2HB PRO 67 2HB PRO 67 -6.515 32.436 -27.618 522 1HG PRO 67 1HG PRO 67 -6.402 31.246 -24.835 523 2HG PRO 67 2HG PRO 67 -7.802 31.326 -25.938 524 1HD PRO 67 1HD PRO 67 -6.250 29.097 -25.746 525 2HD PRO 67 2HD PRO 67 -6.952 29.624 -27.306 526 H VAL 68 H VAL 68 -4.341 30.336 -24.859 527 HA VAL 68 HA VAL 68 -2.809 32.074 -23.249 528 HB VAL 68 HB VAL 68 -3.200 29.037 -23.175 529 1HG1 VAL 68 1HG1 VAL 68 -1.714 30.820 -21.228 530 2HG1 VAL 68 2HG1 VAL 68 -2.264 29.156 -20.897 531 3HG1 VAL 68 3HG1 VAL 68 -1.058 29.436 -22.139 532 1HG2 VAL 68 1HG2 VAL 68 -5.185 30.515 -22.726 533 2HG2 VAL 68 2HG2 VAL 68 -4.663 29.651 -21.280 534 3HG2 VAL 68 3HG2 VAL 68 -4.242 31.360 -21.481 535 H PHE 69 H PHE 69 -1.815 29.351 -25.277 536 HA PHE 69 HA PHE 69 0.969 29.279 -24.919 537 1HB PHE 69 1HB PHE 69 -0.124 27.665 -26.313 538 2HB PHE 69 2HB PHE 69 -0.774 28.938 -27.353 539 HD1 PHE 69 HD1 PHE 69 2.633 27.890 -26.152 540 HD2 PHE 69 HD2 PHE 69 0.139 29.062 -29.467 541 HE1 PHE 69 HE1 PHE 69 4.561 27.681 -27.677 542 HE2 PHE 69 HE2 PHE 69 2.074 28.844 -30.999 543 HZ PHE 69 HZ PHE 69 4.290 28.157 -30.112 544 H GLN 70 H GLN 70 -0.873 31.469 -26.996 545 HA GLN 70 HA GLN 70 1.391 32.843 -28.082 546 1HB GLN 70 1HB GLN 70 -0.963 32.949 -28.990 547 2HB GLN 70 2HB GLN 70 -1.365 34.069 -27.673 548 1HG GLN 70 1HG GLN 70 0.355 35.652 -28.482 549 2HG GLN 70 2HG GLN 70 0.806 34.508 -29.759 550 1HE2 GLN 70 2HE2 GLN 70 -2.112 36.200 -28.439 551 2HE2 GLN 70 1HE2 GLN 70 -2.827 36.506 -30.010 552 H MET 71 H MET 71 -0.451 33.341 -25.110 553 HA MET 71 HA MET 71 0.868 35.812 -24.376 554 1HB MET 71 1HB MET 71 -0.766 33.986 -22.572 555 2HB MET 71 2HB MET 71 -0.329 35.680 -22.336 556 1HG MET 71 1HG MET 71 -1.615 35.888 -24.741 557 2HG MET 71 2HG MET 71 -2.466 34.497 -24.067 558 1HE MET 71 1HE MET 71 -3.850 34.589 -21.836 559 2HE MET 71 2HE MET 71 -2.434 35.218 -20.948 560 3HE MET 71 3HE MET 71 -4.005 36.042 -20.817 561 H LEU 72 H LEU 72 1.385 32.330 -23.847 562 HA LEU 72 HA LEU 72 3.432 32.652 -21.870 563 1HB LEU 72 1HB LEU 72 2.765 30.429 -21.878 564 2HB LEU 72 2HB LEU 72 2.343 30.478 -23.569 565 HG LEU 72 HG LEU 72 4.717 30.259 -24.183 566 1HD1 LEU 72 1HD1 LEU 72 5.712 31.065 -21.942 567 2HD1 LEU 72 2HD1 LEU 72 5.166 29.536 -21.242 568 3HD1 LEU 72 3HD1 LEU 72 6.369 29.536 -22.542 569 1HD2 LEU 72 1HD2 LEU 72 3.157 28.328 -24.026 570 2HD2 LEU 72 2HD2 LEU 72 4.825 27.864 -23.654 571 3HD2 LEU 72 3HD2 LEU 72 3.645 28.080 -22.344 572 H LEU 73 H LEU 73 3.352 32.598 -25.385 573 HA LEU 73 HA LEU 73 6.246 32.978 -25.580 574 1HB LEU 73 1HB LEU 73 4.139 33.786 -27.644 575 2HB LEU 73 2HB LEU 73 5.860 33.548 -27.932 576 HG LEU 73 HG LEU 73 3.779 31.377 -27.455 577 1HD1 LEU 73 1HD1 LEU 73 3.745 32.501 -29.571 578 2HD1 LEU 73 2HD1 LEU 73 5.485 32.197 -29.789 579 3HD1 LEU 73 3HD1 LEU 73 4.333 30.835 -29.735 580 1HD2 LEU 73 1HD2 LEU 73 6.788 31.101 -27.719 581 2HD2 LEU 73 2HD2 LEU 73 5.785 30.626 -26.322 582 3HD2 LEU 73 3HD2 LEU 73 5.613 29.782 -27.864 583 H THR 74 H THR 74 3.633 35.206 -25.138 584 HA THR 74 HA THR 74 5.331 37.461 -25.876 585 HB THR 74 HB THR 74 2.764 37.301 -26.208 586 HG1 THR 74 HG1 THR 74 4.126 38.929 -26.919 587 1HG2 THR 74 1HG2 THR 74 2.376 37.282 -23.661 588 2HG2 THR 74 2HG2 THR 74 3.028 38.931 -23.651 589 3HG2 THR 74 3HG2 THR 74 1.550 38.568 -24.576 590 H LYS 75 H LYS 75 4.518 35.643 -22.964 591 HA LYS 75 HA LYS 75 5.259 37.662 -21.096 592 1HB LYS 75 1HB LYS 75 4.835 34.695 -21.213 593 2HB LYS 75 2HB LYS 75 5.711 35.288 -19.815 594 1HG LYS 75 1HG LYS 75 3.081 36.568 -20.675 595 2HG LYS 75 2HG LYS 75 3.060 35.065 -19.787 596 1HD LYS 75 1HD LYS 75 4.464 37.527 -18.704 597 2HD LYS 75 2HD LYS 75 2.768 37.112 -18.394 598 1HE LYS 75 1HE LYS 75 3.514 34.878 -17.477 599 2HE LYS 75 2HE LYS 75 5.193 35.426 -17.606 600 1HZ LYS 75 1HZ LYS 75 3.084 36.698 -16.006 601 2HZ LYS 75 2HZ LYS 75 4.304 35.751 -15.438 602 3HZ LYS 75 3HZ LYS 75 4.646 37.213 -16.115 603 H LEU 76 H LEU 76 7.344 34.963 -22.432 604 HA LEU 76 HA LEU 76 9.568 35.718 -20.984 605 1HB LEU 76 1HB LEU 76 9.283 34.382 -23.737 606 2HB LEU 76 2HB LEU 76 10.839 34.578 -22.939 607 HG LEU 76 HG LEU 76 9.903 32.984 -21.097 608 1HD1 LEU 76 1HD1 LEU 76 7.813 32.517 -23.218 609 2HD1 LEU 76 2HD1 LEU 76 8.113 31.518 -21.783 610 3HD1 LEU 76 3HD1 LEU 76 7.509 33.163 -21.573 611 1HD2 LEU 76 1HD2 LEU 76 10.165 32.033 -23.966 612 2HD2 LEU 76 2HD2 LEU 76 11.512 32.342 -22.848 613 3HD2 LEU 76 3HD2 LEU 76 10.357 31.045 -22.500 614 HA PRO 77 HA PRO 77 11.510 38.536 -24.155 615 1HB PRO 77 1HB PRO 77 10.151 39.598 -26.221 616 2HB PRO 77 2HB PRO 77 10.920 37.979 -26.267 617 1HG PRO 77 1HG PRO 77 7.996 38.621 -25.682 618 2HG PRO 77 2HG PRO 77 8.629 37.431 -26.858 619 1HD PRO 77 1HD PRO 77 7.887 36.707 -24.320 620 2HD PRO 77 2HD PRO 77 9.306 35.966 -25.133 621 H THR 78 H THR 78 11.546 39.926 -22.504 622 HA THR 78 HA THR 78 9.342 41.817 -21.978 623 HB THR 78 HB THR 78 11.992 41.457 -20.524 624 HG1 THR 78 HG1 THR 78 10.686 40.229 -19.105 625 1HG2 THR 78 1HG2 THR 78 9.353 42.738 -19.707 626 2HG2 THR 78 2HG2 THR 78 10.788 42.543 -18.672 627 3HG2 THR 78 3HG2 THR 78 10.859 43.616 -20.083 628 H ILE 79 H ILE 79 12.782 41.829 -23.020 629 HA ILE 79 HA ILE 79 12.936 44.675 -23.214 630 HB ILE 79 HB ILE 79 14.713 42.595 -24.605 631 1HG1 ILE 79 1HG1 ILE 79 16.345 43.299 -22.749 632 2HG1 ILE 79 2HG1 ILE 79 14.937 43.873 -21.851 633 1HG2 ILE 79 1HG2 ILE 79 15.159 45.545 -24.018 634 2HG2 ILE 79 2HG2 ILE 79 16.361 44.430 -24.696 635 3HG2 ILE 79 3HG2 ILE 79 14.918 44.819 -25.624 636 1HD1 ILE 79 1HD1 ILE 79 15.232 41.024 -22.929 637 2HD1 ILE 79 2HD1 ILE 79 15.836 41.534 -21.343 638 3HD1 ILE 79 3HD1 ILE 79 14.108 41.588 -21.665 639 H SER 80 H SER 80 12.573 42.223 -25.737 640 HA SER 80 HA SER 80 12.309 43.999 -27.916 641 1HB SER 80 1HB SER 80 12.624 41.564 -28.169 642 2HB SER 80 2HB SER 80 10.970 41.287 -27.576 643 HG SER 80 HG SER 80 11.154 41.359 -29.886 644 H GLN 81 H GLN 81 9.813 42.592 -25.791 645 HA GLN 81 HA GLN 81 7.569 43.817 -26.883 646 1HB GLN 81 1HB GLN 81 7.470 42.024 -25.304 647 2HB GLN 81 2HB GLN 81 8.168 43.031 -24.016 648 1HG GLN 81 1HG GLN 81 6.158 44.511 -24.119 649 2HG GLN 81 2HG GLN 81 5.467 43.464 -25.373 650 1HE2 GLN 81 2HE2 GLN 81 5.941 40.897 -24.479 651 2HE2 GLN 81 1HE2 GLN 81 5.197 40.643 -22.933 652 H ARG 82 H ARG 82 9.846 45.007 -24.442 653 HA ARG 82 HA ARG 82 8.429 47.419 -23.922 654 1HB ARG 82 1HB ARG 82 11.196 46.440 -23.320 655 2HB ARG 82 2HB ARG 82 10.897 48.165 -23.156 656 1HG ARG 82 1HG ARG 82 8.872 46.291 -21.940 657 2HG ARG 82 2HG ARG 82 10.447 46.424 -21.166 658 1HD ARG 82 1HD ARG 82 8.760 47.942 -20.211 659 2HD ARG 82 2HD ARG 82 10.231 48.759 -20.771 660 HE ARG 82 HE ARG 82 8.693 49.122 -22.929 661 1HH1 ARG 82 1HH1 ARG 82 8.030 49.697 -19.483 662 2HH1 ARG 82 2HH1 ARG 82 6.908 50.991 -19.794 663 1HH2 ARG 82 1HH2 ARG 82 7.176 50.841 -23.307 664 2HH2 ARG 82 2HH2 ARG 82 6.478 51.669 -21.957 665 H ILE 83 H ILE 83 10.951 46.739 -26.426 666 HA ILE 83 HA ILE 83 11.274 49.487 -27.099 667 HB ILE 83 HB ILE 83 11.442 47.185 -29.124 668 1HG1 ILE 83 1HG1 ILE 83 12.640 46.276 -27.567 669 2HG1 ILE 83 2HG1 ILE 83 13.786 47.039 -28.679 670 1HG2 ILE 83 1HG2 ILE 83 11.602 49.468 -30.082 671 2HG2 ILE 83 2HG2 ILE 83 12.973 49.811 -29.007 672 3HG2 ILE 83 3HG2 ILE 83 13.097 48.558 -30.254 673 1HD1 ILE 83 1HD1 ILE 83 14.154 48.841 -27.001 674 2HD1 ILE 83 2HD1 ILE 83 13.079 47.973 -25.867 675 3HD1 ILE 83 3HD1 ILE 83 14.585 47.219 -26.408 676 H VAL 84 H VAL 84 9.248 46.888 -28.422 677 HA VAL 84 HA VAL 84 7.817 48.475 -30.305 678 HB VAL 84 HB VAL 84 6.794 46.042 -28.773 679 1HG1 VAL 84 1HG1 VAL 84 5.785 47.334 -31.338 680 2HG1 VAL 84 2HG1 VAL 84 5.251 45.759 -30.716 681 3HG1 VAL 84 3HG1 VAL 84 4.914 47.225 -29.793 682 1HG2 VAL 84 1HG2 VAL 84 8.864 45.536 -30.091 683 2HG2 VAL 84 2HG2 VAL 84 7.442 44.744 -30.772 684 3HG2 VAL 84 3HG2 VAL 84 8.088 46.210 -31.535 685 H SER 85 H SER 85 7.139 47.828 -26.918 686 HA SER 85 HA SER 85 4.850 49.591 -26.885 687 1HB SER 85 1HB SER 85 6.322 48.384 -24.515 688 2HB SER 85 2HB SER 85 4.677 49.047 -24.535 689 HG SER 85 HG SER 85 5.630 46.742 -25.885 690 H ALA 86 H ALA 86 7.204 50.836 -27.824 691 HA ALA 86 HA ALA 86 7.191 53.323 -26.454 692 1HB ALA 86 1HB ALA 86 8.727 52.095 -24.876 693 2HB ALA 86 2HB ALA 86 9.796 51.742 -26.252 694 3HB ALA 86 3HB ALA 86 9.524 53.418 -25.732 695 H GLN 87 H GLN 87 6.632 52.254 -29.018 696 HA GLN 87 HA GLN 87 8.820 52.713 -30.821 697 1HB GLN 87 1HB GLN 87 7.010 51.041 -31.201 698 2HB GLN 87 2HB GLN 87 5.861 52.357 -31.455 699 1HG GLN 87 1HG GLN 87 6.638 51.413 -33.551 700 2HG GLN 87 2HG GLN 87 7.150 53.094 -33.428 701 1HE2 GLN 87 2HE2 GLN 87 9.101 53.219 -34.492 702 2HE2 GLN 87 1HE2 GLN 87 10.438 52.110 -34.254 703 H SER 88 H SER 88 9.100 54.874 -29.653 704 HA SER 88 HA SER 88 8.774 57.078 -31.320 705 1HB SER 88 1HB SER 88 6.362 57.131 -30.799 706 2HB SER 88 2HB SER 88 6.705 56.984 -29.065 707 HG SER 88 HG SER 88 7.463 59.127 -30.770 708 H LEU 89 H LEU 89 8.667 56.006 -27.927 709 HA LEU 89 HA LEU 89 10.857 57.858 -27.121 710 1HB LEU 89 1HB LEU 89 8.903 56.170 -25.495 711 2HB LEU 89 2HB LEU 89 10.057 57.333 -24.830 712 HG LEU 89 HG LEU 89 7.677 58.035 -26.617 713 1HD1 LEU 89 1HD1 LEU 89 6.999 57.191 -24.403 714 2HD1 LEU 89 2HD1 LEU 89 8.082 58.360 -23.617 715 3HD1 LEU 89 3HD1 LEU 89 6.683 58.928 -24.553 716 1HD2 LEU 89 1HD2 LEU 89 9.599 59.834 -25.064 717 2HD2 LEU 89 2HD2 LEU 89 9.472 59.723 -26.835 718 3HD2 LEU 89 3HD2 LEU 89 8.125 60.370 -25.891 719 H GLY 90 H GLY 90 11.527 55.831 -28.800 720 1HA GLY 90 1HA GLY 90 12.312 53.374 -27.615 721 2HA GLY 90 2HA GLY 90 13.018 54.103 -29.067 722 H GLU 91 H GLU 91 14.059 56.495 -28.004 723 HA GLU 91 HA GLU 91 15.804 55.886 -25.765 724 1HB GLU 91 1HB GLU 91 16.936 54.856 -27.745 725 2HB GLU 91 2HB GLU 91 16.922 56.428 -28.562 726 1HG GLU 91 1HG GLU 91 18.427 57.355 -26.869 727 2HG GLU 91 2HG GLU 91 18.285 55.881 -25.888 728 H ASP 92 H ASP 92 16.744 57.955 -24.944 729 HA ASP 92 HA ASP 92 15.094 60.250 -25.568 730 1HB ASP 92 1HB ASP 92 17.469 59.867 -23.699 731 2HB ASP 92 2HB ASP 92 16.452 61.313 -23.760 732 H ASP 93 H ASP 93 16.284 62.456 -25.704 733 HA ASP 93 HA ASP 93 18.764 62.505 -27.204 734 1HB ASP 93 1HB ASP 93 17.009 62.062 -28.958 735 2HB ASP 93 2HB ASP 93 16.168 63.537 -28.448 736 H VAL 94 H VAL 94 19.297 64.909 -27.656 737 HA VAL 94 HA VAL 94 18.061 66.788 -25.711 738 HB VAL 94 HB VAL 94 21.046 66.159 -25.872 739 1HG1 VAL 94 1HG1 VAL 94 19.519 68.205 -24.203 740 2HG1 VAL 94 2HG1 VAL 94 21.219 67.763 -23.956 741 3HG1 VAL 94 3HG1 VAL 94 20.732 68.547 -25.458 742 1HG2 VAL 94 1HG2 VAL 94 19.021 65.667 -23.645 743 2HG2 VAL 94 2HG2 VAL 94 19.904 64.430 -24.569 744 3HG2 VAL 94 3HG2 VAL 94 20.781 65.499 -23.476 745 H GLU 95 H GLU 95 18.219 68.936 -26.330 746 HA GLU 95 HA GLU 95 19.527 69.632 -28.895 747 1HB GLU 95 1HB GLU 95 17.092 69.113 -29.249 748 2HB GLU 95 2HB GLU 95 16.682 70.354 -28.050 749 1HG GLU 95 1HG GLU 95 17.748 72.080 -29.468 750 2HG GLU 95 2HG GLU 95 18.212 70.839 -30.643 751 1H GLY 1 1H GLY 1 -9.896 22.427 -22.154 752 2H GLY 1 2H GLY 1 -11.119 22.905 -23.178 753 3H GLY 1 3H GLY 1 -10.389 23.970 -22.142 754 1HA GLY 1 1HA GLY 1 -12.512 23.437 -21.234 755 2HA GLY 1 2HA GLY 1 -12.090 21.712 -21.367 756 HA PRO 2 HA PRO 2 -10.538 23.410 -17.265 757 1HB PRO 2 1HB PRO 2 -11.679 21.570 -15.546 758 2HB PRO 2 2HB PRO 2 -12.438 23.105 -16.032 759 1HG PRO 2 1HG PRO 2 -12.973 20.348 -17.132 760 2HG PRO 2 2HG PRO 2 -14.139 21.640 -16.759 761 1HD PRO 2 1HD PRO 2 -13.225 21.126 -19.314 762 2HD PRO 2 2HD PRO 2 -13.684 22.766 -18.769 763 H ARG 3 H ARG 3 -11.149 19.897 -17.839 764 HA ARG 3 HA ARG 3 -8.347 19.248 -17.141 765 1HB ARG 3 1HB ARG 3 -10.755 17.527 -17.858 766 2HB ARG 3 2HB ARG 3 -9.120 16.930 -17.530 767 1HG ARG 3 1HG ARG 3 -9.237 18.054 -15.252 768 2HG ARG 3 2HG ARG 3 -10.932 18.445 -15.594 769 1HD ARG 3 1HD ARG 3 -10.807 16.401 -14.264 770 2HD ARG 3 2HD ARG 3 -11.425 16.044 -15.892 771 HE ARG 3 HE ARG 3 -8.511 15.745 -15.557 772 1HH1 ARG 3 1HH1 ARG 3 -11.601 14.025 -15.284 773 2HH1 ARG 3 2HH1 ARG 3 -10.912 12.474 -15.680 774 1HH2 ARG 3 1HH2 ARG 3 -7.621 13.778 -16.031 775 2HH2 ARG 3 2HH2 ARG 3 -8.577 12.308 -16.067 776 H LEU 4 H LEU 4 -6.949 19.663 -18.759 777 HA LEU 4 HA LEU 4 -7.560 19.824 -21.521 778 1HB LEU 4 1HB LEU 4 -5.739 21.001 -20.624 779 2HB LEU 4 2HB LEU 4 -5.021 19.583 -19.898 780 HG LEU 4 HG LEU 4 -4.184 18.792 -21.986 781 1HD1 LEU 4 1HD1 LEU 4 -5.930 20.836 -23.358 782 2HD1 LEU 4 2HD1 LEU 4 -4.574 19.976 -24.122 783 3HD1 LEU 4 3HD1 LEU 4 -5.966 19.062 -23.528 784 1HD2 LEU 4 1HD2 LEU 4 -3.138 20.970 -20.904 785 2HD2 LEU 4 2HD2 LEU 4 -2.668 20.528 -22.553 786 3HD2 LEU 4 3HD2 LEU 4 -3.866 21.803 -22.269 787 H SER 5 H SER 5 -5.279 17.460 -20.166 788 HA SER 5 HA SER 5 -4.558 15.538 -21.156 789 1HB SER 5 1HB SER 5 -5.724 13.674 -20.334 790 2HB SER 5 2HB SER 5 -5.592 14.978 -19.148 791 HG SER 5 HG SER 5 -7.789 15.598 -19.896 792 H ARG 6 H ARG 6 -7.251 13.778 -21.937 793 HA ARG 6 HA ARG 6 -8.102 12.959 -23.833 794 1HB ARG 6 1HB ARG 6 -8.790 15.367 -24.187 795 2HB ARG 6 2HB ARG 6 -7.402 15.547 -25.264 796 1HG ARG 6 1HG ARG 6 -8.336 13.450 -26.506 797 2HG ARG 6 2HG ARG 6 -9.822 13.736 -25.590 798 1HD ARG 6 1HD ARG 6 -8.397 15.661 -27.462 799 2HD ARG 6 2HD ARG 6 -9.888 14.788 -27.833 800 HE ARG 6 HE ARG 6 -10.668 16.093 -25.621 801 1HH1 ARG 6 1HH1 ARG 6 -8.854 17.355 -28.387 802 2HH1 ARG 6 2HH1 ARG 6 -9.568 18.926 -28.353 803 1HH2 ARG 6 1HH2 ARG 6 -11.615 18.187 -25.530 804 2HH2 ARG 6 2HH2 ARG 6 -11.204 19.390 -26.724 805 H LEU 7 H LEU 7 -5.374 14.897 -25.218 806 HA LEU 7 HA LEU 7 -4.446 12.672 -26.834 807 1HB LEU 7 1HB LEU 7 -2.641 13.989 -27.489 808 2HB LEU 7 2HB LEU 7 -4.151 14.861 -27.632 809 HG LEU 7 HG LEU 7 -2.434 16.321 -27.205 810 1HD1 LEU 7 1HD1 LEU 7 -4.594 16.808 -25.985 811 2HD1 LEU 7 2HD1 LEU 7 -3.568 16.687 -24.540 812 3HD1 LEU 7 3HD1 LEU 7 -3.109 17.792 -25.789 813 1HD2 LEU 7 1HD2 LEU 7 -0.736 14.957 -26.040 814 2HD2 LEU 7 2HD2 LEU 7 -1.070 16.426 -25.087 815 3HD2 LEU 7 3HD2 LEU 7 -1.778 14.930 -24.641 816 H LEU 8 H LEU 8 -3.447 13.994 -23.751 817 HA LEU 8 HA LEU 8 -1.295 12.124 -23.254 818 1HB LEU 8 1HB LEU 8 -3.007 13.677 -21.373 819 2HB LEU 8 2HB LEU 8 -1.455 12.849 -20.992 820 HG LEU 8 HG LEU 8 -0.915 15.078 -20.930 821 1HD1 LEU 8 1HD1 LEU 8 -0.123 14.213 -23.655 822 2HD1 LEU 8 2HD1 LEU 8 0.458 15.661 -22.806 823 3HD1 LEU 8 3HD1 LEU 8 0.724 14.044 -22.116 824 1HD2 LEU 8 1HD2 LEU 8 -3.051 15.507 -22.914 825 2HD2 LEU 8 2HD2 LEU 8 -2.662 16.369 -21.496 826 3HD2 LEU 8 3HD2 LEU 8 -1.701 16.654 -22.930 827 H SER 9 H SER 9 -1.792 10.168 -23.378 828 HA SER 9 HA SER 9 -3.012 8.348 -21.775 829 1HB SER 9 1HB SER 9 -5.258 9.233 -22.311 830 2HB SER 9 2HB SER 9 -4.885 9.214 -24.047 831 HG SER 9 HG SER 9 -4.963 6.941 -22.340 832 H TYR 10 H TYR 10 -2.417 9.573 -25.022 833 HA TYR 10 HA TYR 10 -1.706 7.307 -26.492 834 1HB TYR 10 1HB TYR 10 -0.796 8.910 -27.992 835 2HB TYR 10 2HB TYR 10 -2.239 9.631 -27.303 836 HD1 TYR 10 HD1 TYR 10 -0.348 10.400 -24.580 837 HD2 TYR 10 HD2 TYR 10 -0.238 11.198 -28.830 838 HE1 TYR 10 HE1 TYR 10 0.955 12.338 -24.142 839 HE2 TYR 10 HE2 TYR 10 1.102 13.200 -28.360 840 HH TYR 10 HH TYR 10 2.090 14.146 -25.048 841 H ALA 11 H ALA 11 -0.102 8.581 -23.746 842 HA ALA 11 HA ALA 11 2.356 7.074 -24.131 843 1HB ALA 11 1HB ALA 11 2.801 9.328 -25.185 844 2HB ALA 11 2HB ALA 11 2.243 10.107 -23.692 845 3HB ALA 11 3HB ALA 11 3.712 9.116 -23.668 Start of MODEL 14 1 1H ARG 1 1H ARG 1 8.658 12.243 11.692 2 2H ARG 1 2H ARG 1 10.111 11.458 11.821 3 3H ARG 1 3H ARG 1 9.945 12.761 10.825 4 HA ARG 1 HA ARG 1 9.940 10.823 9.484 5 1HB ARG 1 1HB ARG 1 7.612 10.025 11.295 6 2HB ARG 1 2HB ARG 1 7.902 9.326 9.706 7 1HG ARG 1 1HG ARG 1 8.729 7.817 11.286 8 2HG ARG 1 2HG ARG 1 10.117 8.484 10.427 9 1HD ARG 1 1HD ARG 1 10.829 9.712 12.382 10 2HD ARG 1 2HD ARG 1 9.213 9.605 13.107 11 HE ARG 1 HE ARG 1 9.694 7.605 14.010 12 1HH1 ARG 1 1HH1 ARG 1 12.132 8.189 11.497 13 2HH1 ARG 1 2HH1 ARG 1 13.166 6.889 12.021 14 1HH2 ARG 1 1HH2 ARG 1 11.048 5.894 14.679 15 2HH2 ARG 1 2HH2 ARG 1 12.531 5.563 13.834 16 H ALA 2 H ALA 2 8.721 10.958 7.499 17 HA ALA 2 HA ALA 2 6.219 12.377 7.327 18 1HB ALA 2 1HB ALA 2 7.751 14.320 7.670 19 2HB ALA 2 2HB ALA 2 8.760 13.753 6.323 20 3HB ALA 2 3HB ALA 2 7.098 14.305 6.029 21 H GLY 3 H GLY 3 5.903 12.877 4.806 22 1HA GLY 3 1HA GLY 3 7.286 11.040 3.008 23 2HA GLY 3 2HA GLY 3 5.589 10.634 3.361 24 H LEU 4 H LEU 4 6.602 11.415 0.789 25 HA LEU 4 HA LEU 4 5.754 14.192 0.318 26 1HB LEU 4 1HB LEU 4 6.769 12.133 -1.633 27 2HB LEU 4 2HB LEU 4 6.644 13.878 -1.883 28 HG LEU 4 HG LEU 4 8.551 12.463 0.037 29 1HD1 LEU 4 1HD1 LEU 4 9.051 12.231 -2.355 30 2HD1 LEU 4 2HD1 LEU 4 8.971 13.999 -2.549 31 3HD1 LEU 4 3HD1 LEU 4 10.244 13.269 -1.541 32 1HD2 LEU 4 1HD2 LEU 4 8.309 15.448 -0.592 33 2HD2 LEU 4 2HD2 LEU 4 7.991 14.688 0.987 34 3HD2 LEU 4 3HD2 LEU 4 9.624 14.685 0.315 35 H SER 5 H SER 5 4.554 14.335 -1.958 36 HA SER 5 HA SER 5 2.542 12.398 -2.444 37 1HB SER 5 1HB SER 5 0.631 13.964 -2.094 38 2HB SER 5 2HB SER 5 1.450 13.580 -0.572 39 HG SER 5 HG SER 5 2.225 15.838 -2.069 40 H LYS 6 H LYS 6 3.059 12.267 -4.529 41 HA LYS 6 HA LYS 6 3.350 12.721 -6.691 42 1HB LYS 6 1HB LYS 6 2.538 15.636 -6.255 43 2HB LYS 6 2HB LYS 6 2.708 14.773 -7.755 44 1HG LYS 6 1HG LYS 6 0.462 14.782 -7.600 45 2HG LYS 6 2HG LYS 6 0.851 13.184 -6.978 46 1HD LYS 6 1HD LYS 6 -0.923 14.192 -5.708 47 2HD LYS 6 2HD LYS 6 0.479 14.058 -4.651 48 1HE LYS 6 1HE LYS 6 0.953 16.519 -5.067 49 2HE LYS 6 2HE LYS 6 -0.456 16.571 -6.139 50 1HZ LYS 6 1HZ LYS 6 -1.803 15.997 -4.243 51 2HZ LYS 6 2HZ LYS 6 -0.473 15.982 -3.260 52 3HZ LYS 6 3HZ LYS 6 -0.953 17.382 -3.980 53 H LEU 7 H LEU 7 4.773 14.168 -8.198 54 HA LEU 7 HA LEU 7 6.904 14.382 -8.679 55 1HB LEU 7 1HB LEU 7 5.662 16.657 -8.097 56 2HB LEU 7 2HB LEU 7 6.751 16.744 -6.733 57 HG LEU 7 HG LEU 7 7.207 17.080 -9.666 58 1HD1 LEU 7 1HD1 LEU 7 6.855 18.997 -8.206 59 2HD1 LEU 7 2HD1 LEU 7 8.290 18.552 -7.255 60 3HD1 LEU 7 3HD1 LEU 7 8.461 19.035 -8.957 61 1HD2 LEU 7 1HD2 LEU 7 8.925 15.352 -9.167 62 2HD2 LEU 7 2HD2 LEU 7 9.633 16.927 -9.518 63 3HD2 LEU 7 3HD2 LEU 7 9.538 16.371 -7.840 64 HA PRO 8 HA PRO 8 8.931 12.783 -4.821 65 1HB PRO 8 1HB PRO 8 9.639 10.285 -5.671 66 2HB PRO 8 2HB PRO 8 8.028 10.677 -5.004 67 1HG PRO 8 1HG PRO 8 8.804 10.353 -7.895 68 2HG PRO 8 2HG PRO 8 7.339 9.789 -7.053 69 1HD PRO 8 1HD PRO 8 7.474 12.135 -8.572 70 2HD PRO 8 2HD PRO 8 6.316 11.871 -7.234 71 H ASP 9 H ASP 9 9.941 11.943 -8.182 72 HA ASP 9 HA ASP 9 12.365 13.521 -8.001 73 1HB ASP 9 1HB ASP 9 12.698 11.117 -6.942 74 2HB ASP 9 2HB ASP 9 12.649 10.553 -8.611 75 H LEU 10 H LEU 10 13.595 12.978 -10.138 76 HA LEU 10 HA LEU 10 11.785 12.972 -12.510 77 1HB LEU 10 1HB LEU 10 14.328 14.401 -11.695 78 2HB LEU 10 2HB LEU 10 14.083 14.043 -13.398 79 HG LEU 10 HG LEU 10 13.383 16.335 -12.438 80 1HD1 LEU 10 1HD1 LEU 10 11.605 14.727 -14.306 81 2HD1 LEU 10 2HD1 LEU 10 11.574 16.497 -14.153 82 3HD1 LEU 10 3HD1 LEU 10 13.034 15.678 -14.739 83 1HD2 LEU 10 1HD2 LEU 10 11.894 15.583 -10.598 84 2HD2 LEU 10 2HD2 LEU 10 11.073 16.625 -11.768 85 3HD2 LEU 10 3HD2 LEU 10 10.776 14.889 -11.794 86 H LYS 11 H LYS 11 14.247 11.248 -10.817 87 HA LYS 11 HA LYS 11 15.405 9.795 -12.978 88 1HB LYS 11 1HB LYS 11 14.799 9.056 -10.089 89 2HB LYS 11 2HB LYS 11 15.791 8.056 -11.167 90 1HG LYS 11 1HG LYS 11 17.481 9.741 -11.373 91 2HG LYS 11 2HG LYS 11 16.446 10.982 -10.681 92 1HD LYS 11 1HD LYS 11 16.427 9.486 -8.521 93 2HD LYS 11 2HD LYS 11 17.800 8.662 -9.274 94 1HE LYS 11 1HE LYS 11 18.720 10.353 -7.841 95 2HE LYS 11 2HE LYS 11 18.897 10.977 -9.492 96 1HZ LYS 11 1HZ LYS 11 16.795 12.219 -9.064 97 2HZ LYS 11 2HZ LYS 11 16.788 11.692 -7.545 98 3HZ LYS 11 3HZ LYS 11 18.024 12.671 -8.046 99 H ASP 12 H ASP 12 12.387 9.437 -11.094 100 HA ASP 12 HA ASP 12 11.552 7.056 -12.615 101 1HB ASP 12 1HB ASP 12 10.042 8.750 -10.617 102 2HB ASP 12 2HB ASP 12 9.506 7.212 -11.334 103 H ALA 13 H ALA 13 10.200 7.122 -14.265 104 HA ALA 13 HA ALA 13 9.453 9.723 -15.443 105 1HB ALA 13 1HB ALA 13 10.624 8.090 -16.883 106 2HB ALA 13 2HB ALA 13 9.328 6.903 -16.609 107 3HB ALA 13 3HB ALA 13 8.985 8.410 -17.490 108 H GLU 14 H GLU 14 7.880 6.694 -14.603 109 HA GLU 14 HA GLU 14 5.231 7.383 -15.281 110 1HB GLU 14 1HB GLU 14 6.259 5.549 -13.071 111 2HB GLU 14 2HB GLU 14 4.583 5.621 -13.642 112 1HG GLU 14 1HG GLU 14 5.319 4.983 -15.921 113 2HG GLU 14 2HG GLU 14 6.995 4.873 -15.358 114 H ALA 15 H ALA 15 7.094 8.133 -12.376 115 HA ALA 15 HA ALA 15 4.859 9.165 -10.827 116 1HB ALA 15 1HB ALA 15 6.948 8.219 -9.813 117 2HB ALA 15 2HB ALA 15 7.847 9.612 -10.469 118 3HB ALA 15 3HB ALA 15 6.559 9.866 -9.275 119 H VAL 16 H VAL 16 6.873 10.348 -13.374 120 HA VAL 16 HA VAL 16 6.378 13.198 -12.737 121 HB VAL 16 HB VAL 16 8.507 11.780 -14.070 122 1HG1 VAL 16 1HG1 VAL 16 7.425 14.165 -15.611 123 2HG1 VAL 16 2HG1 VAL 16 8.967 13.335 -15.883 124 3HG1 VAL 16 3HG1 VAL 16 7.456 12.489 -16.228 125 1HG2 VAL 16 1HG2 VAL 16 8.773 13.145 -12.240 126 2HG2 VAL 16 2HG2 VAL 16 9.769 13.555 -13.654 127 3HG2 VAL 16 3HG2 VAL 16 8.351 14.573 -13.255 128 H GLN 17 H GLN 17 5.451 10.572 -14.928 129 HA GLN 17 HA GLN 17 4.156 12.238 -16.841 130 1HB GLN 17 1HB GLN 17 4.641 9.757 -17.198 131 2HB GLN 17 2HB GLN 17 3.323 9.407 -16.064 132 1HG GLN 17 1HG GLN 17 2.432 9.103 -18.191 133 2HG GLN 17 2HG GLN 17 1.757 10.638 -17.647 134 1HE2 GLN 17 2HE2 GLN 17 2.058 9.567 -20.421 135 2HE2 GLN 17 1HE2 GLN 17 3.041 10.757 -21.253 136 H LYS 18 H LYS 18 2.996 10.664 -13.887 137 HA LYS 18 HA LYS 18 0.272 11.626 -14.149 138 1HB LYS 18 1HB LYS 18 1.851 10.807 -11.667 139 2HB LYS 18 2HB LYS 18 0.098 11.033 -11.741 140 1HG LYS 18 1HG LYS 18 -0.077 9.137 -13.384 141 2HG LYS 18 2HG LYS 18 1.645 8.828 -13.234 142 1HD LYS 18 1HD LYS 18 -0.305 8.840 -10.896 143 2HD LYS 18 2HD LYS 18 0.073 7.400 -11.839 144 1HE LYS 18 1HE LYS 18 2.148 9.047 -10.316 145 2HE LYS 18 2HE LYS 18 1.369 7.575 -9.721 146 1HZ LYS 18 1HZ LYS 18 2.292 6.406 -11.618 147 2HZ LYS 18 2HZ LYS 18 3.084 7.771 -12.100 148 3HZ LYS 18 3HZ LYS 18 3.466 7.058 -10.668 149 H PHE 19 H PHE 19 3.036 12.967 -12.329 150 HA PHE 19 HA PHE 19 1.568 15.238 -11.383 151 1HB PHE 19 1HB PHE 19 3.386 15.021 -10.113 152 2HB PHE 19 2HB PHE 19 4.347 14.282 -11.380 153 HD1 PHE 19 HD1 PHE 19 2.963 17.675 -10.434 154 HD2 PHE 19 HD2 PHE 19 6.167 15.411 -12.232 155 HE1 PHE 19 HE1 PHE 19 4.295 19.750 -10.705 156 HE2 PHE 19 HE2 PHE 19 7.480 17.443 -12.490 157 HZ PHE 19 HZ PHE 19 6.565 19.660 -11.736 158 H PHE 20 H PHE 20 3.453 14.673 -14.333 159 HA PHE 20 HA PHE 20 3.496 17.346 -15.340 160 1HB PHE 20 1HB PHE 20 4.952 15.761 -16.299 161 2HB PHE 20 2HB PHE 20 3.654 14.608 -16.609 162 HD1 PHE 20 HD1 PHE 20 4.546 18.116 -17.606 163 HD2 PHE 20 HD2 PHE 20 3.141 14.217 -18.795 164 HE1 PHE 20 HE1 PHE 20 4.492 18.846 -19.983 165 HE2 PHE 20 HE2 PHE 20 3.093 14.955 -21.154 166 HZ PHE 20 HZ PHE 20 3.781 17.252 -21.742 167 H LEU 21 H LEU 21 1.237 14.603 -15.843 168 HA LEU 21 HA LEU 21 -0.731 16.102 -17.316 169 1HB LEU 21 1HB LEU 21 -0.441 13.401 -16.015 170 2HB LEU 21 2HB LEU 21 -2.064 14.004 -15.980 171 HG LEU 21 HG LEU 21 -0.547 13.723 -18.662 172 1HD1 LEU 21 1HD1 LEU 21 -2.361 11.779 -17.195 173 2HD1 LEU 21 2HD1 LEU 21 -1.755 11.625 -18.862 174 3HD1 LEU 21 3HD1 LEU 21 -0.625 11.583 -17.507 175 1HD2 LEU 21 1HD2 LEU 21 -3.427 14.266 -17.752 176 2HD2 LEU 21 2HD2 LEU 21 -2.401 15.274 -18.786 177 3HD2 LEU 21 3HD2 LEU 21 -3.001 13.710 -19.351 178 H GLU 22 H GLU 22 -0.180 15.655 -13.878 179 HA GLU 22 HA GLU 22 -2.694 16.718 -13.029 180 1HB GLU 22 1HB GLU 22 -1.118 15.492 -11.524 181 2HB GLU 22 2HB GLU 22 -0.036 16.897 -11.559 182 1HG GLU 22 1HG GLU 22 -1.754 18.294 -10.520 183 2HG GLU 22 2HG GLU 22 -2.875 16.922 -10.506 184 H GLU 23 H GLU 23 0.389 18.263 -14.111 185 HA GLU 23 HA GLU 23 -0.515 20.903 -13.259 186 1HB GLU 23 1HB GLU 23 1.898 20.035 -13.291 187 2HB GLU 23 2HB GLU 23 1.866 20.278 -15.048 188 1HG GLU 23 1HG GLU 23 1.361 22.666 -14.701 189 2HG GLU 23 2HG GLU 23 1.190 22.403 -12.956 190 H ILE 24 H ILE 24 -0.178 19.008 -16.211 191 HA ILE 24 HA ILE 24 -0.972 20.956 -18.122 192 HB ILE 24 HB ILE 24 -0.704 18.007 -18.156 193 1HG1 ILE 24 1HG1 ILE 24 0.023 20.149 -20.101 194 2HG1 ILE 24 2HG1 ILE 24 0.924 18.742 -19.527 195 1HG2 ILE 24 1HG2 ILE 24 -3.074 17.932 -18.494 196 2HG2 ILE 24 2HG2 ILE 24 -2.910 19.042 -19.868 197 3HG2 ILE 24 3HG2 ILE 24 -2.217 17.420 -19.878 198 1HD1 ILE 24 1HD1 ILE 24 -1.357 18.641 -21.539 199 2HD1 ILE 24 2HD1 ILE 24 0.353 18.619 -21.878 200 3HD1 ILE 24 3HD1 ILE 24 -0.347 17.283 -20.965 201 H GLN 25 H GLN 25 -2.918 18.694 -16.255 202 HA GLN 25 HA GLN 25 -5.390 19.794 -17.238 203 1HB GLN 25 1HB GLN 25 -6.468 18.075 -16.293 204 2HB GLN 25 2HB GLN 25 -4.876 17.411 -16.583 205 1HG GLN 25 1HG GLN 25 -4.341 18.055 -14.172 206 2HG GLN 25 2HG GLN 25 -6.073 18.428 -13.989 207 1HE2 GLN 25 2HE2 GLN 25 -3.870 15.830 -15.145 208 2HE2 GLN 25 1HE2 GLN 25 -4.834 14.487 -14.539 209 H LEU 26 H LEU 26 -3.667 20.178 -14.204 210 HA LEU 26 HA LEU 26 -5.640 21.720 -12.834 211 1HB LEU 26 1HB LEU 26 -3.769 20.743 -11.666 212 2HB LEU 26 2HB LEU 26 -2.601 21.691 -12.619 213 HG LEU 26 HG LEU 26 -2.616 22.408 -10.417 214 1HD1 LEU 26 1HD1 LEU 26 -2.464 24.219 -12.184 215 2HD1 LEU 26 2HD1 LEU 26 -4.163 24.609 -11.793 216 3HD1 LEU 26 3HD1 LEU 26 -2.923 24.728 -10.548 217 1HD2 LEU 26 1HD2 LEU 26 -4.780 21.557 -9.782 218 2HD2 LEU 26 2HD2 LEU 26 -4.571 23.253 -9.273 219 3HD2 LEU 26 3HD2 LEU 26 -5.584 22.863 -10.700 220 H GLY 27 H GLY 27 -2.798 22.765 -14.767 221 1HA GLY 27 1HA GLY 27 -3.304 25.563 -14.733 222 2HA GLY 27 2HA GLY 27 -2.461 24.666 -16.008 223 H GLU 28 H GLU 28 -3.993 23.371 -17.635 224 HA GLU 28 HA GLU 28 -5.582 25.249 -18.839 225 1HB GLU 28 1HB GLU 28 -4.935 22.894 -19.683 226 2HB GLU 28 2HB GLU 28 -6.454 22.382 -18.917 227 1HG GLU 28 1HG GLU 28 -7.304 22.959 -20.978 228 2HG GLU 28 2HG GLU 28 -7.361 24.579 -20.293 229 H GLU 29 H GLU 29 -6.626 23.236 -16.129 230 HA GLU 29 HA GLU 29 -9.412 23.984 -16.272 231 1HB GLU 29 1HB GLU 29 -8.830 22.002 -15.128 232 2HB GLU 29 2HB GLU 29 -7.805 22.872 -13.963 233 1HG GLU 29 1HG GLU 29 -9.695 23.929 -12.959 234 2HG GLU 29 2HG GLU 29 -10.776 23.377 -14.260 235 H LEU 30 H LEU 30 -6.618 25.425 -14.435 236 HA LEU 30 HA LEU 30 -8.330 27.458 -13.272 237 1HB LEU 30 1HB LEU 30 -5.308 27.288 -13.746 238 2HB LEU 30 2HB LEU 30 -6.078 28.718 -13.056 239 HG LEU 30 HG LEU 30 -6.154 25.996 -11.742 240 1HD1 LEU 30 1HD1 LEU 30 -3.889 27.044 -11.830 241 2HD1 LEU 30 2HD1 LEU 30 -4.557 28.518 -11.104 242 3HD1 LEU 30 3HD1 LEU 30 -4.541 27.000 -10.180 243 1HD2 LEU 30 1HD2 LEU 30 -7.060 28.783 -10.831 244 2HD2 LEU 30 2HD2 LEU 30 -8.109 27.369 -11.069 245 3HD2 LEU 30 3HD2 LEU 30 -6.921 27.377 -9.764 246 H LEU 31 H LEU 31 -6.583 27.184 -16.319 247 HA LEU 31 HA LEU 31 -7.170 29.941 -17.175 248 1HB LEU 31 1HB LEU 31 -6.476 27.373 -18.617 249 2HB LEU 31 2HB LEU 31 -6.714 28.908 -19.451 250 HG LEU 31 HG LEU 31 -4.774 29.819 -18.724 251 1HD1 LEU 31 1HD1 LEU 31 -5.231 29.738 -16.221 252 2HD1 LEU 31 2HD1 LEU 31 -4.541 28.110 -16.206 253 3HD1 LEU 31 3HD1 LEU 31 -3.577 29.476 -16.680 254 1HD2 LEU 31 1HD2 LEU 31 -4.419 27.536 -19.788 255 2HD2 LEU 31 2HD2 LEU 31 -3.045 28.203 -18.869 256 3HD2 LEU 31 3HD2 LEU 31 -4.069 26.947 -18.148 257 H ALA 32 H ALA 32 -8.884 26.911 -17.186 258 HA ALA 32 HA ALA 32 -11.076 27.781 -18.758 259 1HB ALA 32 1HB ALA 32 -10.642 25.389 -17.768 260 2HB ALA 32 2HB ALA 32 -11.534 25.989 -16.351 261 3HB ALA 32 3HB ALA 32 -12.317 25.960 -17.916 262 H GLN 33 H GLN 33 -10.032 28.743 -15.580 263 HA GLN 33 HA GLN 33 -12.584 30.062 -14.940 264 1HB GLN 33 1HB GLN 33 -10.646 28.791 -13.385 265 2HB GLN 33 2HB GLN 33 -10.243 30.497 -13.161 266 1HG GLN 33 1HG GLN 33 -12.979 29.191 -12.794 267 2HG GLN 33 2HG GLN 33 -11.855 29.583 -11.490 268 1HE2 GLN 33 2HE2 GLN 33 -11.041 32.067 -11.676 269 2HE2 GLN 33 1HE2 GLN 33 -12.352 33.212 -11.880 270 H GLY 34 H GLY 34 -9.301 30.635 -15.948 271 1HA GLY 34 1HA GLY 34 -9.103 32.482 -17.630 272 2HA GLY 34 2HA GLY 34 -9.807 33.548 -16.415 273 H ASP 35 H ASP 35 -7.604 31.189 -15.060 274 HA ASP 35 HA ASP 35 -5.845 33.436 -14.397 275 1HB ASP 35 1HB ASP 35 -6.557 31.507 -12.839 276 2HB ASP 35 2HB ASP 35 -5.270 30.588 -13.637 277 H TYR 36 H TYR 36 -5.601 33.256 -17.064 278 HA TYR 36 HA TYR 36 -3.550 31.716 -18.247 279 1HB TYR 36 1HB TYR 36 -4.344 34.580 -18.829 280 2HB TYR 36 2HB TYR 36 -3.368 33.469 -19.814 281 HD1 TYR 36 HD1 TYR 36 -6.206 31.612 -18.588 282 HD2 TYR 36 HD2 TYR 36 -4.954 34.504 -21.544 283 HE1 TYR 36 HE1 TYR 36 -8.113 31.002 -20.025 284 HE2 TYR 36 HE2 TYR 36 -6.864 33.879 -22.961 285 HH TYR 36 HH TYR 36 -8.745 32.566 -23.172 286 H GLU 37 H GLU 37 -3.182 34.578 -16.287 287 HA GLU 37 HA GLU 37 -0.436 35.009 -16.933 288 1HB GLU 37 1HB GLU 37 -2.124 35.743 -14.519 289 2HB GLU 37 2HB GLU 37 -0.385 36.050 -14.513 290 1HG GLU 37 1HG GLU 37 -2.118 37.036 -16.803 291 2HG GLU 37 2HG GLU 37 -1.886 37.976 -15.321 292 H LYS 38 H LYS 38 -1.962 32.896 -14.633 293 HA LYS 38 HA LYS 38 0.666 31.798 -13.781 294 1HB LYS 38 1HB LYS 38 -2.243 31.267 -13.073 295 2HB LYS 38 2HB LYS 38 -1.082 30.030 -12.705 296 1HG LYS 38 1HG LYS 38 -0.249 32.718 -11.713 297 2HG LYS 38 2HG LYS 38 -1.783 32.160 -11.069 298 1HD LYS 38 1HD LYS 38 0.095 31.490 -9.622 299 2HD LYS 38 2HD LYS 38 -0.894 30.153 -10.194 300 1HE LYS 38 1HE LYS 38 1.427 29.492 -10.183 301 2HE LYS 38 2HE LYS 38 0.864 29.518 -11.848 302 1HZ LYS 38 1HZ LYS 38 2.486 31.589 -10.536 303 2HZ LYS 38 2HZ LYS 38 2.999 30.470 -11.631 304 3HZ LYS 38 3HZ LYS 38 1.948 31.650 -12.098 305 H GLY 39 H GLY 39 -1.910 31.065 -16.094 306 1HA GLY 39 1HA GLY 39 -1.339 28.475 -16.583 307 2HA GLY 39 2HA GLY 39 -1.830 29.661 -17.849 308 H VAL 40 H VAL 40 0.254 31.366 -17.850 309 HA VAL 40 HA VAL 40 1.937 30.067 -19.756 310 HB VAL 40 HB VAL 40 2.192 32.716 -18.224 311 1HG1 VAL 40 1HG1 VAL 40 4.160 31.613 -20.213 312 2HG1 VAL 40 2HG1 VAL 40 4.013 33.327 -19.792 313 3HG1 VAL 40 3HG1 VAL 40 4.472 32.154 -18.556 314 1HG2 VAL 40 1HG2 VAL 40 1.677 32.031 -21.167 315 2HG2 VAL 40 2HG2 VAL 40 0.451 32.581 -20.010 316 3HG2 VAL 40 3HG2 VAL 40 1.744 33.656 -20.498 317 H ASP 41 H ASP 41 2.404 30.677 -16.357 318 HA ASP 41 HA ASP 41 5.057 29.566 -16.156 319 1HB ASP 41 1HB ASP 41 4.339 31.189 -14.521 320 2HB ASP 41 2HB ASP 41 2.933 30.214 -14.073 321 H HIS 42 H HIS 42 1.803 28.339 -15.566 322 HA HIS 42 HA HIS 42 2.473 25.809 -14.555 323 1HB HIS 42 1HB HIS 42 0.218 25.462 -14.565 324 2HB HIS 42 2HB HIS 42 0.021 27.071 -15.236 325 HD1 HIS 42 HD1 HIS 42 0.413 23.408 -16.346 326 HD2 HIS 42 HD2 HIS 42 -1.274 26.939 -17.853 327 HE1 HIS 42 HE1 HIS 42 -0.873 22.903 -18.499 328 H LEU 43 H LEU 43 2.084 26.936 -17.871 329 HA LEU 43 HA LEU 43 2.548 24.231 -18.852 330 1HB LEU 43 1HB LEU 43 1.263 26.296 -19.995 331 2HB LEU 43 2HB LEU 43 2.877 26.610 -20.650 332 HG LEU 43 HG LEU 43 2.878 24.103 -21.279 333 1HD1 LEU 43 1HD1 LEU 43 -0.149 24.498 -20.898 334 2HD1 LEU 43 2HD1 LEU 43 0.573 23.151 -21.772 335 3HD1 LEU 43 3HD1 LEU 43 0.868 23.311 -20.044 336 1HD2 LEU 43 1HD2 LEU 43 0.835 26.006 -22.566 337 2HD2 LEU 43 2HD2 LEU 43 2.574 25.949 -22.945 338 3HD2 LEU 43 3HD2 LEU 43 1.523 24.581 -23.369 339 H THR 44 H THR 44 4.509 27.172 -18.367 340 HA THR 44 HA THR 44 6.859 26.271 -19.600 341 HB THR 44 HB THR 44 6.712 27.942 -17.082 342 HG1 THR 44 HG1 THR 44 6.847 28.516 -19.862 343 1HG2 THR 44 1HG2 THR 44 8.952 27.415 -19.093 344 2HG2 THR 44 2HG2 THR 44 8.963 28.721 -17.890 345 3HG2 THR 44 3HG2 THR 44 8.978 27.035 -17.358 346 H ASN 45 H ASN 45 5.495 25.510 -16.475 347 HA ASN 45 HA ASN 45 7.753 23.990 -15.474 348 1HB ASN 45 1HB ASN 45 4.932 24.334 -14.514 349 2HB ASN 45 2HB ASN 45 5.996 23.076 -13.844 350 1HD2 ASN 45 2HD2 ASN 45 5.728 26.613 -14.297 351 2HD2 ASN 45 1HD2 ASN 45 6.780 27.032 -12.984 352 H ALA 46 H ALA 46 4.687 23.133 -17.169 353 HA ALA 46 HA ALA 46 5.079 20.365 -16.955 354 1HB ALA 46 1HB ALA 46 2.960 21.415 -17.464 355 2HB ALA 46 2HB ALA 46 3.513 21.773 -19.115 356 3HB ALA 46 3HB ALA 46 3.329 20.099 -18.542 357 H ILE 47 H ILE 47 6.337 22.765 -19.293 358 HA ILE 47 HA ILE 47 7.722 20.874 -20.974 359 HB ILE 47 HB ILE 47 8.247 23.827 -20.441 360 1HG1 ILE 47 1HG1 ILE 47 7.690 23.928 -22.990 361 2HG1 ILE 47 2HG1 ILE 47 7.033 22.295 -22.803 362 1HG2 ILE 47 1HG2 ILE 47 9.897 22.046 -22.198 363 2HG2 ILE 47 2HG2 ILE 47 9.891 23.825 -22.264 364 3HG2 ILE 47 3HG2 ILE 47 10.424 23.018 -20.816 365 1HD1 ILE 47 1HD1 ILE 47 6.183 24.713 -21.194 366 2HD1 ILE 47 2HD1 ILE 47 5.363 24.172 -22.657 367 3HD1 ILE 47 3HD1 ILE 47 5.385 23.099 -21.260 368 H ALA 48 H ALA 48 8.616 22.542 -18.067 369 HA ALA 48 HA ALA 48 11.371 21.945 -18.011 370 1HB ALA 48 1HB ALA 48 10.271 23.578 -16.443 371 2HB ALA 48 2HB ALA 48 9.613 22.195 -15.531 372 3HB ALA 48 3HB ALA 48 11.355 22.419 -15.639 373 H VAL 49 H VAL 49 8.599 20.023 -17.026 374 HA VAL 49 HA VAL 49 10.416 17.906 -15.985 375 HB VAL 49 HB VAL 49 8.556 17.029 -14.901 376 1HG1 VAL 49 1HG1 VAL 49 8.722 20.077 -14.700 377 2HG1 VAL 49 2HG1 VAL 49 7.574 19.186 -13.776 378 3HG1 VAL 49 3HG1 VAL 49 9.313 18.825 -13.604 379 1HG2 VAL 49 1HG2 VAL 49 6.866 17.178 -16.678 380 2HG2 VAL 49 2HG2 VAL 49 6.268 17.763 -15.124 381 3HG2 VAL 49 3HG2 VAL 49 6.738 18.927 -16.375 382 H CYS 50 H CYS 50 8.629 18.752 -18.859 383 HA CYS 50 HA CYS 50 8.349 15.919 -19.694 384 1HB CYS 50 1HB CYS 50 6.612 17.358 -20.310 385 2HB CYS 50 2HB CYS 50 7.709 18.535 -21.071 386 HG CYS 50 HG CYS 50 6.369 17.238 -22.893 387 H GLY 51 H GLY 51 10.185 18.822 -20.852 388 1HA GLY 51 1HA GLY 51 12.340 18.907 -21.673 389 2HA GLY 51 2HA GLY 51 12.517 17.158 -21.485 390 H GLN 52 H GLN 52 9.648 17.959 -23.123 391 HA GLN 52 HA GLN 52 10.798 17.887 -25.906 392 1HB GLN 52 1HB GLN 52 9.871 15.609 -24.740 393 2HB GLN 52 2HB GLN 52 8.349 16.277 -25.300 394 1HG GLN 52 1HG GLN 52 9.134 14.935 -27.070 395 2HG GLN 52 2HG GLN 52 9.550 16.575 -27.597 396 1HE2 GLN 52 2HE2 GLN 52 11.792 17.084 -27.889 397 2HE2 GLN 52 1HE2 GLN 52 13.053 15.903 -27.616 398 HA PRO 53 HA PRO 53 7.810 21.273 -24.576 399 1HB PRO 53 1HB PRO 53 9.191 23.274 -26.050 400 2HB PRO 53 2HB PRO 53 9.305 22.971 -24.308 401 1HG PRO 53 1HG PRO 53 11.108 21.927 -26.489 402 2HG PRO 53 2HG PRO 53 11.569 22.615 -24.906 403 1HD PRO 53 1HD PRO 53 11.554 19.996 -25.202 404 2HD PRO 53 2HD PRO 53 10.784 20.691 -23.752 405 H GLN 54 H GLN 54 9.484 21.145 -27.664 406 HA GLN 54 HA GLN 54 7.373 22.205 -29.247 407 1HB GLN 54 1HB GLN 54 9.558 20.248 -30.148 408 2HB GLN 54 2HB GLN 54 8.643 21.363 -31.174 409 1HG GLN 54 1HG GLN 54 9.722 23.304 -29.926 410 2HG GLN 54 2HG GLN 54 10.696 22.140 -29.025 411 1HE2 GLN 54 2HE2 GLN 54 9.914 23.159 -32.392 412 2HE2 GLN 54 1HE2 GLN 54 11.513 22.796 -33.017 413 H GLN 55 H GLN 55 8.057 18.817 -28.446 414 HA GLN 55 HA GLN 55 5.979 17.792 -30.096 415 1HB GLN 55 1HB GLN 55 7.717 16.309 -29.101 416 2HB GLN 55 2HB GLN 55 7.077 16.646 -27.480 417 1HG GLN 55 1HG GLN 55 6.339 14.465 -28.279 418 2HG GLN 55 2HG GLN 55 4.964 15.542 -28.039 419 1HE2 GLN 55 2HE2 GLN 55 7.310 14.635 -30.656 420 2HE2 GLN 55 1HE2 GLN 55 6.106 14.598 -31.928 421 H LEU 56 H LEU 56 5.982 18.799 -26.684 422 HA LEU 56 HA LEU 56 3.254 18.263 -26.420 423 1HB LEU 56 1HB LEU 56 4.783 18.507 -24.464 424 2HB LEU 56 2HB LEU 56 4.849 20.249 -24.769 425 HG LEU 56 HG LEU 56 2.354 20.348 -24.413 426 1HD1 LEU 56 1HD1 LEU 56 2.421 17.487 -24.545 427 2HD1 LEU 56 2HD1 LEU 56 2.137 17.859 -22.860 428 3HD1 LEU 56 3HD1 LEU 56 1.056 18.490 -24.054 429 1HD2 LEU 56 1HD2 LEU 56 4.209 19.435 -22.232 430 2HD2 LEU 56 2HD2 LEU 56 3.813 21.082 -22.740 431 3HD2 LEU 56 3HD2 LEU 56 2.575 20.093 -21.935 432 H LEU 57 H LEU 57 4.955 21.230 -27.525 433 HA LEU 57 HA LEU 57 2.539 22.815 -27.479 434 1HB LEU 57 1HB LEU 57 4.920 23.339 -29.271 435 2HB LEU 57 2HB LEU 57 3.638 24.447 -28.783 436 HG LEU 57 HG LEU 57 6.042 23.535 -27.260 437 1HD1 LEU 57 1HD1 LEU 57 5.902 25.690 -28.496 438 2HD1 LEU 57 2HD1 LEU 57 4.668 26.195 -27.311 439 3HD1 LEU 57 3HD1 LEU 57 6.314 25.827 -26.776 440 1HD2 LEU 57 1HD2 LEU 57 3.516 24.517 -25.844 441 2HD2 LEU 57 2HD2 LEU 57 4.321 22.955 -25.575 442 3HD2 LEU 57 3HD2 LEU 57 5.132 24.447 -25.127 443 H GLN 58 H GLN 58 3.831 20.626 -30.024 444 HA GLN 58 HA GLN 58 1.726 21.511 -31.818 445 1HB GLN 58 1HB GLN 58 2.194 19.645 -33.210 446 2HB GLN 58 2HB GLN 58 3.655 20.547 -32.786 447 1HG GLN 58 1HG GLN 58 4.335 18.824 -31.235 448 2HG GLN 58 2HG GLN 58 2.819 17.924 -31.474 449 1HE2 GLN 58 2HE2 GLN 58 4.112 16.069 -32.110 450 2HE2 GLN 58 1HE2 GLN 58 4.804 16.005 -33.724 451 H VAL 59 H VAL 59 2.025 18.981 -29.344 452 HA VAL 59 HA VAL 59 -0.444 17.756 -29.874 453 HB VAL 59 HB VAL 59 1.600 17.049 -28.303 454 1HG1 VAL 59 1HG1 VAL 59 -0.660 17.813 -26.337 455 2HG1 VAL 59 2HG1 VAL 59 0.693 16.732 -25.958 456 3HG1 VAL 59 3HG1 VAL 59 0.981 18.411 -26.272 457 1HG2 VAL 59 1HG2 VAL 59 0.182 15.596 -29.300 458 2HG2 VAL 59 2HG2 VAL 59 0.420 15.248 -27.580 459 3HG2 VAL 59 3HG2 VAL 59 -1.112 15.991 -28.133 460 H LEU 60 H LEU 60 0.364 20.592 -27.980 461 HA LEU 60 HA LEU 60 -2.322 20.946 -26.831 462 1HB LEU 60 1HB LEU 60 0.268 22.500 -27.015 463 2HB LEU 60 2HB LEU 60 -1.186 23.385 -26.644 464 HG LEU 60 HG LEU 60 0.410 22.564 -24.812 465 1HD1 LEU 60 1HD1 LEU 60 -1.762 23.790 -24.407 466 2HD1 LEU 60 2HD1 LEU 60 -2.651 22.261 -24.553 467 3HD1 LEU 60 3HD1 LEU 60 -1.550 22.520 -23.192 468 1HD2 LEU 60 1HD2 LEU 60 0.278 20.159 -25.302 469 2HD2 LEU 60 2HD2 LEU 60 -0.183 20.543 -23.641 470 3HD2 LEU 60 3HD2 LEU 60 -1.428 20.126 -24.835 471 H GLN 61 H GLN 61 -0.588 22.017 -29.784 472 HA GLN 61 HA GLN 61 -2.603 24.049 -30.350 473 1HB GLN 61 1HB GLN 61 -0.442 24.466 -31.148 474 2HB GLN 61 2HB GLN 61 -0.310 22.910 -31.972 475 1HG GLN 61 1HG GLN 61 -2.361 25.028 -32.731 476 2HG GLN 61 2HG GLN 61 -0.722 24.998 -33.394 477 1HE2 GLN 61 2HE2 GLN 61 -3.515 24.522 -34.633 478 2HE2 GLN 61 1HE2 GLN 61 -3.280 23.039 -35.535 479 H GLN 62 H GLN 62 -2.082 20.673 -31.262 480 HA GLN 62 HA GLN 62 -4.210 20.724 -33.237 481 1HB GLN 62 1HB GLN 62 -3.477 18.753 -33.939 482 2HB GLN 62 2HB GLN 62 -2.034 19.251 -33.077 483 1HG GLN 62 1HG GLN 62 -2.389 16.972 -32.574 484 2HG GLN 62 2HG GLN 62 -2.818 17.868 -31.104 485 1HE2 GLN 62 2HE2 GLN 62 -4.437 16.751 -34.158 486 2HE2 GLN 62 1HE2 GLN 62 -5.825 16.057 -33.343 487 H THR 63 H THR 63 -3.978 19.961 -29.790 488 HA THR 63 HA THR 63 -6.537 18.600 -29.822 489 HB THR 63 HB THR 63 -4.661 17.991 -28.373 490 HG1 THR 63 HG1 THR 63 -6.664 17.158 -28.073 491 1HG2 THR 63 1HG2 THR 63 -4.454 20.486 -27.514 492 2HG2 THR 63 2HG2 THR 63 -5.640 19.916 -26.308 493 3HG2 THR 63 3HG2 THR 63 -4.057 19.127 -26.478 494 H LEU 64 H LEU 64 -5.416 21.890 -29.282 495 HA LEU 64 HA LEU 64 -8.083 22.847 -29.730 496 1HB LEU 64 1HB LEU 64 -8.794 23.680 -27.712 497 2HB LEU 64 2HB LEU 64 -8.120 22.158 -27.194 498 HG LEU 64 HG LEU 64 -6.593 24.812 -26.992 499 1HD1 LEU 64 1HD1 LEU 64 -8.695 24.978 -25.760 500 2HD1 LEU 64 2HD1 LEU 64 -8.310 23.457 -24.925 501 3HD1 LEU 64 3HD1 LEU 64 -7.294 24.894 -24.680 502 1HD2 LEU 64 1HD2 LEU 64 -5.251 22.682 -26.859 503 2HD2 LEU 64 2HD2 LEU 64 -5.241 23.621 -25.364 504 3HD2 LEU 64 3HD2 LEU 64 -6.262 22.174 -25.497 505 HA PRO 65 HA PRO 65 -5.641 26.398 -30.923 506 1HB PRO 65 1HB PRO 65 -7.396 28.482 -30.782 507 2HB PRO 65 2HB PRO 65 -7.464 27.215 -32.039 508 1HG PRO 65 1HG PRO 65 -9.103 27.384 -29.504 509 2HG PRO 65 2HG PRO 65 -9.668 27.034 -31.160 510 1HD PRO 65 1HD PRO 65 -9.183 25.070 -29.345 511 2HD PRO 65 2HD PRO 65 -8.823 24.828 -31.077 512 HA PRO 66 HA PRO 66 -4.943 27.502 -26.477 513 1HB PRO 66 1HB PRO 66 -2.349 27.331 -26.333 514 2HB PRO 66 2HB PRO 66 -3.337 25.924 -26.753 515 1HG PRO 66 1HG PRO 66 -1.709 27.580 -28.688 516 2HG PRO 66 2HG PRO 66 -1.928 25.818 -28.602 517 1HD PRO 66 1HD PRO 66 -3.425 27.727 -30.148 518 2HD PRO 66 2HD PRO 66 -3.759 25.996 -29.949 519 HA PRO 67 HA PRO 67 -4.311 31.968 -27.544 520 1HB PRO 67 1HB PRO 67 -5.818 33.091 -25.576 521 2HB PRO 67 2HB PRO 67 -6.548 32.370 -27.041 522 1HG PRO 67 1HG PRO 67 -6.225 31.074 -24.319 523 2HG PRO 67 2HG PRO 67 -7.691 31.148 -25.333 524 1HD PRO 67 1HD PRO 67 -6.063 28.976 -25.337 525 2HD PRO 67 2HD PRO 67 -6.864 29.555 -26.831 526 H VAL 68 H VAL 68 -4.157 30.256 -24.451 527 HA VAL 68 HA VAL 68 -2.564 32.040 -22.942 528 HB VAL 68 HB VAL 68 -2.808 28.982 -22.848 529 1HG1 VAL 68 1HG1 VAL 68 -1.378 30.926 -21.008 530 2HG1 VAL 68 2HG1 VAL 68 -1.793 29.242 -20.591 531 3HG1 VAL 68 3HG1 VAL 68 -0.662 29.567 -21.907 532 1HG2 VAL 68 1HG2 VAL 68 -4.865 30.389 -22.331 533 2HG2 VAL 68 2HG2 VAL 68 -4.267 29.429 -20.981 534 3HG2 VAL 68 3HG2 VAL 68 -3.915 31.165 -21.045 535 H PHE 69 H PHE 69 -1.643 29.308 -25.013 536 HA PHE 69 HA PHE 69 1.156 29.375 -24.900 537 1HB PHE 69 1HB PHE 69 0.221 27.630 -26.134 538 2HB PHE 69 2HB PHE 69 -0.831 28.735 -27.008 539 HD1 PHE 69 HD1 PHE 69 2.761 27.702 -26.801 540 HD2 PHE 69 HD2 PHE 69 -0.375 29.558 -29.103 541 HE1 PHE 69 HE1 PHE 69 4.244 27.767 -28.820 542 HE2 PHE 69 HE2 PHE 69 1.103 29.613 -31.093 543 HZ PHE 69 HZ PHE 69 3.417 28.712 -30.945 544 H GLN 70 H GLN 70 -0.957 31.369 -26.929 545 HA GLN 70 HA GLN 70 1.102 32.772 -28.303 546 1HB GLN 70 1HB GLN 70 -1.297 32.796 -28.982 547 2HB GLN 70 2HB GLN 70 -1.652 33.876 -27.620 548 1HG GLN 70 1HG GLN 70 -0.128 35.580 -28.547 549 2HG GLN 70 2HG GLN 70 0.306 34.480 -29.866 550 1HE2 GLN 70 2HE2 GLN 70 -2.718 35.754 -28.302 551 2HE2 GLN 70 1HE2 GLN 70 -3.522 36.102 -29.820 552 H MET 71 H MET 71 -0.408 33.363 -25.145 553 HA MET 71 HA MET 71 0.991 35.859 -24.681 554 1HB MET 71 1HB MET 71 -0.375 34.063 -22.641 555 2HB MET 71 2HB MET 71 0.193 35.725 -22.444 556 1HG MET 71 1HG MET 71 -1.501 36.044 -24.594 557 2HG MET 71 2HG MET 71 -2.291 34.715 -23.750 558 1HE MET 71 1HE MET 71 -2.717 34.784 -21.270 559 2HE MET 71 2HE MET 71 -1.357 35.694 -20.592 560 3HE MET 71 3HE MET 71 -3.023 36.224 -20.256 561 H LEU 72 H LEU 72 1.532 32.396 -24.024 562 HA LEU 72 HA LEU 72 3.736 32.600 -22.298 563 1HB LEU 72 1HB LEU 72 2.364 30.548 -23.469 564 2HB LEU 72 2HB LEU 72 3.802 30.566 -24.503 565 HG LEU 72 HG LEU 72 3.521 29.942 -21.563 566 1HD1 LEU 72 1HD1 LEU 72 3.057 28.295 -23.199 567 2HD1 LEU 72 2HD1 LEU 72 4.679 28.514 -23.922 568 3HD1 LEU 72 3HD1 LEU 72 4.519 27.907 -22.243 569 1HD2 LEU 72 1HD2 LEU 72 6.137 30.344 -23.172 570 2HD2 LEU 72 2HD2 LEU 72 5.664 31.379 -21.818 571 3HD2 LEU 72 3HD2 LEU 72 6.038 29.679 -21.532 572 H LEU 73 H LEU 73 3.401 32.860 -25.760 573 HA LEU 73 HA LEU 73 6.266 33.198 -26.187 574 1HB LEU 73 1HB LEU 73 4.057 34.154 -28.059 575 2HB LEU 73 2HB LEU 73 5.737 33.828 -28.472 576 HG LEU 73 HG LEU 73 3.571 31.767 -27.883 577 1HD1 LEU 73 1HD1 LEU 73 3.444 32.934 -29.974 578 2HD1 LEU 73 2HD1 LEU 73 5.140 32.525 -30.332 579 3HD1 LEU 73 3HD1 LEU 73 3.912 31.236 -30.201 580 1HD2 LEU 73 1HD2 LEU 73 6.531 31.316 -28.433 581 2HD2 LEU 73 2HD2 LEU 73 5.664 30.898 -26.934 582 3HD2 LEU 73 3HD2 LEU 73 5.264 30.070 -28.443 583 H THR 74 H THR 74 3.736 35.372 -25.389 584 HA THR 74 HA THR 74 5.367 37.698 -26.139 585 HB THR 74 HB THR 74 2.812 37.471 -26.477 586 HG1 THR 74 HG1 THR 74 4.141 39.173 -27.124 587 1HG2 THR 74 1HG2 THR 74 2.422 37.373 -23.929 588 2HG2 THR 74 2HG2 THR 74 3.005 39.045 -23.881 589 3HG2 THR 74 3HG2 THR 74 1.545 38.639 -24.817 590 H LYS 75 H LYS 75 4.700 35.738 -23.312 591 HA LYS 75 HA LYS 75 5.517 37.775 -21.406 592 1HB LYS 75 1HB LYS 75 4.931 34.821 -21.459 593 2HB LYS 75 2HB LYS 75 5.543 35.574 -19.979 594 1HG LYS 75 1HG LYS 75 3.142 36.755 -21.441 595 2HG LYS 75 2HG LYS 75 2.937 35.361 -20.410 596 1HD LYS 75 1HD LYS 75 4.082 37.997 -19.426 597 2HD LYS 75 2HD LYS 75 2.380 37.515 -19.361 598 1HE LYS 75 1HE LYS 75 3.152 35.411 -18.083 599 2HE LYS 75 2HE LYS 75 4.697 36.250 -17.863 600 1HZ LYS 75 1HZ LYS 75 2.043 37.249 -17.059 601 2HZ LYS 75 2HZ LYS 75 3.172 36.620 -16.042 602 3HZ LYS 75 3HZ LYS 75 3.456 38.048 -16.821 603 H LEU 76 H LEU 76 7.223 35.590 -23.513 604 HA LEU 76 HA LEU 76 9.638 35.402 -21.971 605 1HB LEU 76 1HB LEU 76 9.026 34.988 -24.908 606 2HB LEU 76 2HB LEU 76 10.625 34.708 -24.213 607 HG LEU 76 HG LEU 76 8.090 33.246 -23.301 608 1HD1 LEU 76 1HD1 LEU 76 8.461 32.926 -25.713 609 2HD1 LEU 76 2HD1 LEU 76 10.117 32.391 -25.381 610 3HD1 LEU 76 3HD1 LEU 76 8.729 31.449 -24.779 611 1HD2 LEU 76 1HD2 LEU 76 11.052 32.574 -23.016 612 2HD2 LEU 76 2HD2 LEU 76 9.991 33.139 -21.703 613 3HD2 LEU 76 3HD2 LEU 76 9.687 31.574 -22.476 614 HA PRO 77 HA PRO 77 11.517 39.002 -24.410 615 1HB PRO 77 1HB PRO 77 9.972 40.608 -25.977 616 2HB PRO 77 2HB PRO 77 10.790 39.129 -26.559 617 1HG PRO 77 1HG PRO 77 7.907 39.418 -25.638 618 2HG PRO 77 2HG PRO 77 8.497 38.647 -27.141 619 1HD PRO 77 1HD PRO 77 7.929 37.168 -24.942 620 2HD PRO 77 2HD PRO 77 9.378 36.795 -25.932 621 H THR 78 H THR 78 11.746 39.929 -22.517 622 HA THR 78 HA THR 78 9.586 41.476 -21.194 623 HB THR 78 HB THR 78 12.276 40.468 -20.157 624 HG1 THR 78 HG1 THR 78 10.684 38.849 -20.716 625 1HG2 THR 78 1HG2 THR 78 9.869 41.614 -18.705 626 2HG2 THR 78 2HG2 THR 78 11.302 40.893 -17.948 627 3HG2 THR 78 3HG2 THR 78 11.466 42.402 -18.866 628 H ILE 79 H ILE 79 12.921 41.834 -22.437 629 HA ILE 79 HA ILE 79 13.113 44.631 -21.686 630 HB ILE 79 HB ILE 79 14.807 42.973 -23.632 631 1HG1 ILE 79 1HG1 ILE 79 16.513 43.108 -21.743 632 2HG1 ILE 79 2HG1 ILE 79 15.199 43.583 -20.662 633 1HG2 ILE 79 1HG2 ILE 79 15.282 45.699 -22.377 634 2HG2 ILE 79 2HG2 ILE 79 16.508 44.762 -23.257 635 3HG2 ILE 79 3HG2 ILE 79 15.073 45.318 -24.104 636 1HD1 ILE 79 1HD1 ILE 79 15.154 41.012 -22.318 637 2HD1 ILE 79 2HD1 ILE 79 15.932 41.122 -20.726 638 3HD1 ILE 79 3HD1 ILE 79 14.198 41.400 -20.863 639 H SER 80 H SER 80 12.448 42.871 -24.663 640 HA SER 80 HA SER 80 12.411 44.947 -26.492 641 1HB SER 80 1HB SER 80 10.312 42.755 -26.498 642 2HB SER 80 2HB SER 80 11.055 43.564 -27.886 643 HG SER 80 HG SER 80 13.045 42.593 -27.264 644 H GLN 81 H GLN 81 9.727 43.920 -24.383 645 HA GLN 81 HA GLN 81 7.782 45.757 -25.233 646 1HB GLN 81 1HB GLN 81 8.260 44.566 -22.471 647 2HB GLN 81 2HB GLN 81 6.761 45.348 -22.990 648 1HG GLN 81 1HG GLN 81 7.941 42.832 -24.254 649 2HG GLN 81 2HG GLN 81 6.653 42.867 -23.050 650 1HE2 GLN 81 2HE2 GLN 81 7.472 43.413 -26.434 651 2HE2 GLN 81 1HE2 GLN 81 5.823 43.648 -26.981 652 H ARG 82 H ARG 82 10.335 46.071 -22.831 653 HA ARG 82 HA ARG 82 9.522 48.644 -21.868 654 1HB ARG 82 1HB ARG 82 12.127 47.118 -21.613 655 2HB ARG 82 2HB ARG 82 11.835 48.692 -20.862 656 1HG ARG 82 1HG ARG 82 10.060 47.901 -19.529 657 2HG ARG 82 2HG ARG 82 9.848 46.430 -20.485 658 1HD ARG 82 1HD ARG 82 11.949 45.496 -19.650 659 2HD ARG 82 2HD ARG 82 12.337 47.022 -18.847 660 HE ARG 82 HE ARG 82 11.106 46.401 -17.067 661 1HH1 ARG 82 1HH1 ARG 82 9.934 44.420 -19.796 662 2HH1 ARG 82 2HH1 ARG 82 8.668 43.682 -18.856 663 1HH2 ARG 82 1HH2 ARG 82 9.514 45.327 -15.842 664 2HH2 ARG 82 2HH2 ARG 82 8.479 44.140 -16.583 665 H ILE 83 H ILE 83 11.739 47.723 -24.576 666 HA ILE 83 HA ILE 83 12.749 50.370 -24.913 667 HB ILE 83 HB ILE 83 12.220 48.391 -27.212 668 1HG1 ILE 83 1HG1 ILE 83 13.238 47.037 -25.834 669 2HG1 ILE 83 2HG1 ILE 83 14.464 47.633 -26.978 670 1HG2 ILE 83 1HG2 ILE 83 12.895 50.667 -27.929 671 2HG2 ILE 83 2HG2 ILE 83 14.350 50.548 -26.919 672 3HG2 ILE 83 3HG2 ILE 83 14.121 49.460 -28.300 673 1HD1 ILE 83 1HD1 ILE 83 15.283 49.157 -25.137 674 2HD1 ILE 83 2HD1 ILE 83 14.181 48.286 -24.026 675 3HD1 ILE 83 3HD1 ILE 83 15.495 47.417 -24.841 676 H VAL 84 H VAL 84 10.067 48.600 -26.382 677 HA VAL 84 HA VAL 84 9.033 50.730 -27.956 678 HB VAL 84 HB VAL 84 7.497 48.424 -26.666 679 1HG1 VAL 84 1HG1 VAL 84 6.699 50.258 -28.960 680 2HG1 VAL 84 2HG1 VAL 84 5.827 48.791 -28.470 681 3HG1 VAL 84 3HG1 VAL 84 5.923 50.163 -27.363 682 1HG2 VAL 84 1HG2 VAL 84 9.312 47.642 -28.202 683 2HG2 VAL 84 2HG2 VAL 84 7.704 47.299 -28.843 684 3HG2 VAL 84 3HG2 VAL 84 8.639 48.662 -29.486 685 H SER 85 H SER 85 8.142 49.810 -24.667 686 HA SER 85 HA SER 85 6.544 52.193 -24.334 687 1HB SER 85 1HB SER 85 7.470 50.148 -22.281 688 2HB SER 85 2HB SER 85 6.201 51.368 -22.041 689 HG SER 85 HG SER 85 5.099 50.369 -23.840 690 H ALA 86 H ALA 86 9.207 52.767 -25.103 691 HA ALA 86 HA ALA 86 9.854 54.851 -23.254 692 1HB ALA 86 1HB ALA 86 10.921 52.900 -22.061 693 2HB ALA 86 2HB ALA 86 11.913 52.616 -23.509 694 3HB ALA 86 3HB ALA 86 12.079 54.121 -22.591 695 H GLN 87 H GLN 87 9.221 54.358 -26.128 696 HA GLN 87 HA GLN 87 11.605 54.806 -27.664 697 1HB GLN 87 1HB GLN 87 9.593 53.663 -28.538 698 2HB GLN 87 2HB GLN 87 8.718 55.202 -28.521 699 1HG GLN 87 1HG GLN 87 10.450 56.130 -30.106 700 2HG GLN 87 2HG GLN 87 11.267 54.562 -30.075 701 1HE2 GLN 87 2HE2 GLN 87 8.029 56.036 -30.723 702 2HE2 GLN 87 1HE2 GLN 87 7.629 54.949 -32.040 703 H SER 88 H SER 88 12.298 56.598 -26.158 704 HA SER 88 HA SER 88 12.551 59.099 -27.163 705 1HB SER 88 1HB SER 88 10.032 58.954 -25.456 706 2HB SER 88 2HB SER 88 11.050 60.401 -25.457 707 HG SER 88 HG SER 88 9.891 59.263 -27.758 708 H LEU 89 H LEU 89 12.229 56.973 -24.377 709 HA LEU 89 HA LEU 89 14.486 58.333 -23.002 710 1HB LEU 89 1HB LEU 89 11.901 57.264 -21.776 711 2HB LEU 89 2HB LEU 89 13.282 57.868 -20.850 712 HG LEU 89 HG LEU 89 11.624 59.580 -22.758 713 1HD1 LEU 89 1HD1 LEU 89 11.498 59.306 -19.729 714 2HD1 LEU 89 2HD1 LEU 89 10.604 60.495 -20.700 715 3HD1 LEU 89 3HD1 LEU 89 10.261 58.766 -20.883 716 1HD2 LEU 89 1HD2 LEU 89 13.676 60.313 -20.608 717 2HD2 LEU 89 2HD2 LEU 89 13.910 60.488 -22.360 718 3HD2 LEU 89 3HD2 LEU 89 12.694 61.467 -21.531 719 H GLY 90 H GLY 90 14.971 56.351 -24.720 720 1HA GLY 90 1HA GLY 90 15.750 54.097 -22.949 721 2HA GLY 90 2HA GLY 90 14.710 53.724 -24.341 722 H GLU 91 H GLU 91 17.402 56.031 -23.868 723 HA GLU 91 HA GLU 91 18.663 55.204 -26.377 724 1HB GLU 91 1HB GLU 91 19.366 57.381 -24.362 725 2HB GLU 91 2HB GLU 91 20.132 57.133 -25.935 726 1HG GLU 91 1HG GLU 91 18.522 58.892 -26.208 727 2HG GLU 91 2HG GLU 91 17.903 57.470 -27.050 728 H ASP 92 H ASP 92 21.144 54.949 -26.313 729 HA ASP 92 HA ASP 92 21.812 52.982 -24.205 730 1HB ASP 92 1HB ASP 92 21.880 52.119 -26.440 731 2HB ASP 92 2HB ASP 92 22.894 53.468 -26.991 732 H ASP 93 H ASP 93 23.608 53.376 -22.781 733 HA ASP 93 HA ASP 93 25.007 55.955 -22.928 734 1HB ASP 93 1HB ASP 93 25.087 53.634 -20.958 735 2HB ASP 93 2HB ASP 93 26.016 55.132 -20.813 736 H VAL 94 H VAL 94 25.759 55.125 -25.147 737 HA VAL 94 HA VAL 94 27.438 52.986 -25.584 738 HB VAL 94 HB VAL 94 26.513 54.340 -27.366 739 1HG1 VAL 94 1HG1 VAL 94 26.801 56.613 -26.362 740 2HG1 VAL 94 2HG1 VAL 94 28.548 56.499 -26.651 741 3HG1 VAL 94 3HG1 VAL 94 27.420 56.505 -28.015 742 1HG2 VAL 94 1HG2 VAL 94 28.497 52.944 -27.836 743 2HG2 VAL 94 2HG2 VAL 94 28.383 54.366 -28.887 744 3HG2 VAL 94 3HG2 VAL 94 29.549 54.349 -27.553 745 H GLU 95 H GLU 95 29.567 52.472 -25.389 746 HA GLU 95 HA GLU 95 31.542 54.376 -24.345 747 1HB GLU 95 1HB GLU 95 30.434 53.329 -22.356 748 2HB GLU 95 2HB GLU 95 30.833 51.726 -22.998 749 1HG GLU 95 1HG GLU 95 33.248 52.262 -22.834 750 2HG GLU 95 2HG GLU 95 32.852 53.891 -22.258 751 1H GLY 1 1H GLY 1 -9.369 21.214 -23.060 752 2H GLY 1 2H GLY 1 -9.972 22.297 -24.163 753 3H GLY 1 3H GLY 1 -8.999 22.801 -22.919 754 1HA GLY 1 1HA GLY 1 -11.270 23.356 -22.443 755 2HA GLY 1 2HA GLY 1 -11.668 21.627 -22.616 756 HA PRO 2 HA PRO 2 -10.352 22.787 -18.189 757 1HB PRO 2 1HB PRO 2 -12.593 21.726 -16.906 758 2HB PRO 2 2HB PRO 2 -12.393 23.430 -17.393 759 1HG PRO 2 1HG PRO 2 -13.799 21.225 -18.910 760 2HG PRO 2 2HG PRO 2 -14.385 22.886 -18.596 761 1HD PRO 2 1HD PRO 2 -13.263 22.248 -20.961 762 2HD PRO 2 2HD PRO 2 -12.834 23.801 -20.185 763 H ARG 3 H ARG 3 -9.105 21.340 -17.174 764 HA ARG 3 HA ARG 3 -8.087 19.496 -16.568 765 1HB ARG 3 1HB ARG 3 -10.435 18.930 -15.756 766 2HB ARG 3 2HB ARG 3 -10.572 17.857 -17.158 767 1HG ARG 3 1HG ARG 3 -8.468 16.668 -16.323 768 2HG ARG 3 2HG ARG 3 -8.508 17.744 -14.912 769 1HD ARG 3 1HD ARG 3 -9.526 15.656 -14.299 770 2HD ARG 3 2HD ARG 3 -10.785 16.910 -14.368 771 HE ARG 3 HE ARG 3 -10.492 15.508 -16.887 772 1HH1 ARG 3 1HH1 ARG 3 -11.917 15.192 -13.664 773 2HH1 ARG 3 2HH1 ARG 3 -13.168 14.087 -14.164 774 1HH2 ARG 3 1HH2 ARG 3 -12.121 14.030 -17.557 775 2HH2 ARG 3 2HH2 ARG 3 -13.270 13.404 -16.409 776 H LEU 4 H LEU 4 -7.292 20.301 -18.859 777 HA LEU 4 HA LEU 4 -7.495 19.018 -21.266 778 1HB LEU 4 1HB LEU 4 -6.166 20.981 -20.993 779 2HB LEU 4 2HB LEU 4 -5.137 20.209 -19.783 780 HG LEU 4 HG LEU 4 -4.170 18.742 -21.583 781 1HD1 LEU 4 1HD1 LEU 4 -5.827 20.474 -23.424 782 2HD1 LEU 4 2HD1 LEU 4 -4.499 19.400 -23.914 783 3HD1 LEU 4 3HD1 LEU 4 -5.964 18.709 -23.190 784 1HD2 LEU 4 1HD2 LEU 4 -3.142 20.961 -20.850 785 2HD2 LEU 4 2HD2 LEU 4 -2.744 20.445 -22.491 786 3HD2 LEU 4 3HD2 LEU 4 -3.962 21.710 -22.219 787 H SER 5 H SER 5 -7.440 16.837 -21.711 788 HA SER 5 HA SER 5 -5.069 15.331 -21.282 789 1HB SER 5 1HB SER 5 -6.000 13.574 -19.750 790 2HB SER 5 2HB SER 5 -5.612 15.102 -18.996 791 HG SER 5 HG SER 5 -7.844 15.686 -19.160 792 H ARG 6 H ARG 6 -7.076 15.964 -23.436 793 HA ARG 6 HA ARG 6 -8.332 13.440 -24.097 794 1HB ARG 6 1HB ARG 6 -9.079 15.658 -24.987 795 2HB ARG 6 2HB ARG 6 -7.591 15.760 -25.933 796 1HG ARG 6 1HG ARG 6 -8.385 13.355 -26.834 797 2HG ARG 6 2HG ARG 6 -9.961 13.904 -26.254 798 1HD ARG 6 1HD ARG 6 -8.128 15.186 -28.310 799 2HD ARG 6 2HD ARG 6 -9.721 14.463 -28.612 800 HE ARG 6 HE ARG 6 -10.327 16.412 -26.817 801 1HH1 ARG 6 1HH1 ARG 6 -8.654 16.501 -29.959 802 2HH1 ARG 6 2HH1 ARG 6 -8.760 18.239 -30.091 803 1HH2 ARG 6 1HH2 ARG 6 -10.488 18.703 -27.057 804 2HH2 ARG 6 2HH2 ARG 6 -9.652 19.477 -28.388 805 H LEU 7 H LEU 7 -5.636 15.209 -25.663 806 HA LEU 7 HA LEU 7 -4.522 13.017 -27.082 807 1HB LEU 7 1HB LEU 7 -2.645 14.363 -27.468 808 2HB LEU 7 2HB LEU 7 -4.113 15.302 -27.677 809 HG LEU 7 HG LEU 7 -2.545 16.743 -26.818 810 1HD1 LEU 7 1HD1 LEU 7 -4.602 17.192 -25.808 811 2HD1 LEU 7 2HD1 LEU 7 -4.265 16.157 -24.443 812 3HD1 LEU 7 3HD1 LEU 7 -3.248 17.586 -24.723 813 1HD2 LEU 7 1HD2 LEU 7 -0.849 15.135 -25.914 814 2HD2 LEU 7 2HD2 LEU 7 -1.170 16.462 -24.777 815 3HD2 LEU 7 3HD2 LEU 7 -1.852 14.898 -24.538 816 H LEU 8 H LEU 8 -3.899 14.061 -23.747 817 HA LEU 8 HA LEU 8 -1.585 12.466 -23.477 818 1HB LEU 8 1HB LEU 8 -3.435 13.455 -21.385 819 2HB LEU 8 2HB LEU 8 -1.910 12.589 -21.071 820 HG LEU 8 HG LEU 8 -1.363 14.792 -20.685 821 1HD1 LEU 8 1HD1 LEU 8 -0.251 14.259 -23.429 822 2HD1 LEU 8 2HD1 LEU 8 0.260 15.508 -22.312 823 3HD1 LEU 8 3HD1 LEU 8 0.395 13.806 -21.857 824 1HD2 LEU 8 1HD2 LEU 8 -3.156 15.504 -22.900 825 2HD2 LEU 8 2HD2 LEU 8 -3.034 16.170 -21.323 826 3HD2 LEU 8 3HD2 LEU 8 -1.836 16.604 -22.555 827 H SER 9 H SER 9 -4.816 11.329 -23.781 828 HA SER 9 HA SER 9 -4.549 8.922 -22.252 829 1HB SER 9 1HB SER 9 -6.697 9.834 -23.175 830 2HB SER 9 2HB SER 9 -6.145 9.391 -24.806 831 HG SER 9 HG SER 9 -5.861 7.208 -23.830 832 H TYR 10 H TYR 10 -2.930 10.035 -25.090 833 HA TYR 10 HA TYR 10 -2.416 7.547 -26.414 834 1HB TYR 10 1HB TYR 10 -1.026 8.868 -27.805 835 2HB TYR 10 2HB TYR 10 -2.467 9.810 -27.465 836 HD1 TYR 10 HD1 TYR 10 -0.706 10.403 -24.486 837 HD2 TYR 10 HD2 TYR 10 -0.388 11.222 -28.717 838 HE1 TYR 10 HE1 TYR 10 0.714 12.250 -23.978 839 HE2 TYR 10 HE2 TYR 10 1.061 13.132 -28.181 840 HH TYR 10 HH TYR 10 2.133 14.354 -26.533 841 H ALA 11 H ALA 11 -1.285 8.573 -23.388 842 HA ALA 11 HA ALA 11 1.005 6.786 -23.405 843 1HB ALA 11 1HB ALA 11 1.905 8.897 -24.473 844 2HB ALA 11 2HB ALA 11 1.339 9.817 -23.075 845 3HB ALA 11 3HB ALA 11 2.625 8.610 -22.883 Start of MODEL 15 1 1H ARG 1 1H ARG 1 8.738 24.594 5.852 2 2H ARG 1 2H ARG 1 8.397 23.013 5.558 3 3H ARG 1 3H ARG 1 8.004 23.689 7.020 4 HA ARG 1 HA ARG 1 10.262 24.030 7.569 5 1HB ARG 1 1HB ARG 1 9.751 21.157 6.648 6 2HB ARG 1 2HB ARG 1 11.090 21.703 7.669 7 1HG ARG 1 1HG ARG 1 9.746 21.057 9.319 8 2HG ARG 1 2HG ARG 1 9.164 22.717 9.187 9 1HD ARG 1 1HD ARG 1 7.231 21.851 7.793 10 2HD ARG 1 2HD ARG 1 7.910 20.215 7.966 11 HE ARG 1 HE ARG 1 7.557 21.468 10.527 12 1HH1 ARG 1 1HH1 ARG 1 5.714 19.867 7.955 13 2HH1 ARG 1 2HH1 ARG 1 4.459 19.304 9.025 14 1HH2 ARG 1 1HH2 ARG 1 5.912 20.731 11.931 15 2HH2 ARG 1 2HH2 ARG 1 4.574 19.807 11.311 16 H ALA 2 H ALA 2 11.660 21.608 5.632 17 HA ALA 2 HA ALA 2 13.445 23.446 4.453 18 1HB ALA 2 1HB ALA 2 14.019 21.102 4.894 19 2HB ALA 2 2HB ALA 2 12.827 20.558 3.693 20 3HB ALA 2 3HB ALA 2 14.253 21.481 3.176 21 H GLY 3 H GLY 3 13.654 24.050 2.119 22 1HA GLY 3 1HA GLY 3 11.213 24.836 0.922 23 2HA GLY 3 2HA GLY 3 12.819 24.859 0.177 24 H LEU 4 H LEU 4 9.850 23.752 -0.432 25 HA LEU 4 HA LEU 4 10.195 20.992 -1.067 26 1HB LEU 4 1HB LEU 4 8.335 23.156 -2.031 27 2HB LEU 4 2HB LEU 4 8.304 21.562 -2.775 28 HG LEU 4 HG LEU 4 7.385 20.478 -0.886 29 1HD1 LEU 4 1HD1 LEU 4 8.130 22.946 0.772 30 2HD1 LEU 4 2HD1 LEU 4 7.195 21.548 1.339 31 3HD1 LEU 4 3HD1 LEU 4 8.895 21.342 0.902 32 1HD2 LEU 4 1HD2 LEU 4 5.951 21.966 -2.120 33 2HD2 LEU 4 2HD2 LEU 4 5.468 21.786 -0.412 34 3HD2 LEU 4 3HD2 LEU 4 6.297 23.276 -0.957 35 H SER 5 H SER 5 10.585 20.001 -3.121 36 HA SER 5 HA SER 5 11.319 21.531 -5.375 37 1HB SER 5 1HB SER 5 13.418 21.778 -4.058 38 2HB SER 5 2HB SER 5 13.543 20.007 -3.944 39 HG SER 5 HG SER 5 14.765 21.011 -5.681 40 H LYS 6 H LYS 6 10.265 20.416 -6.761 41 HA LYS 6 HA LYS 6 9.543 18.833 -8.153 42 1HB LYS 6 1HB LYS 6 11.457 16.831 -6.913 43 2HB LYS 6 2HB LYS 6 10.823 16.834 -8.545 44 1HG LYS 6 1HG LYS 6 12.644 17.951 -9.276 45 2HG LYS 6 2HG LYS 6 12.337 19.295 -8.196 46 1HD LYS 6 1HD LYS 6 14.535 18.463 -7.768 47 2HD LYS 6 2HD LYS 6 13.539 18.066 -6.381 48 1HE LYS 6 1HE LYS 6 13.256 15.795 -8.018 49 2HE LYS 6 2HE LYS 6 14.929 16.280 -8.299 50 1HZ LYS 6 1HZ LYS 6 15.226 16.191 -5.888 51 2HZ LYS 6 2HZ LYS 6 13.655 15.720 -5.702 52 3HZ LYS 6 3HZ LYS 6 14.717 14.749 -6.492 53 H LEU 7 H LEU 7 8.004 16.947 -8.236 54 HA LEU 7 HA LEU 7 6.846 16.376 -5.586 55 1HB LEU 7 1HB LEU 7 6.030 15.821 -8.476 56 2HB LEU 7 2HB LEU 7 5.159 15.136 -7.096 57 HG LEU 7 HG LEU 7 4.330 17.383 -6.533 58 1HD1 LEU 7 1HD1 LEU 7 6.217 18.395 -8.712 59 2HD1 LEU 7 2HD1 LEU 7 4.922 19.339 -7.954 60 3HD1 LEU 7 3HD1 LEU 7 6.287 18.800 -6.975 61 1HD2 LEU 7 1HD2 LEU 7 3.240 16.104 -8.332 62 2HD2 LEU 7 2HD2 LEU 7 3.152 17.859 -8.633 63 3HD2 LEU 7 3HD2 LEU 7 4.333 16.864 -9.490 64 HA PRO 8 HA PRO 8 8.622 12.131 -6.338 65 1HB PRO 8 1HB PRO 8 9.254 11.065 -8.726 66 2HB PRO 8 2HB PRO 8 7.542 11.271 -8.269 67 1HG PRO 8 1HG PRO 8 9.259 13.109 -9.954 68 2HG PRO 8 2HG PRO 8 7.666 12.435 -10.391 69 1HD PRO 8 1HD PRO 8 7.938 14.926 -9.278 70 2HD PRO 8 2HD PRO 8 6.553 13.824 -8.922 71 H ASP 9 H ASP 9 11.019 11.204 -7.354 72 HA ASP 9 HA ASP 9 12.815 13.476 -6.832 73 1HB ASP 9 1HB ASP 9 13.148 11.129 -5.916 74 2HB ASP 9 2HB ASP 9 13.567 10.629 -7.562 75 H LEU 10 H LEU 10 11.242 12.410 -9.510 76 HA LEU 10 HA LEU 10 11.265 12.788 -11.657 77 1HB LEU 10 1HB LEU 10 14.024 14.096 -11.510 78 2HB LEU 10 2HB LEU 10 12.872 14.178 -12.835 79 HG LEU 10 HG LEU 10 12.473 15.404 -10.072 80 1HD1 LEU 10 1HD1 LEU 10 13.091 16.532 -12.830 81 2HD1 LEU 10 2HD1 LEU 10 12.645 17.526 -11.432 82 3HD1 LEU 10 3HD1 LEU 10 14.142 16.554 -11.388 83 1HD2 LEU 10 1HD2 LEU 10 10.701 15.524 -12.526 84 2HD2 LEU 10 2HD2 LEU 10 10.317 14.747 -10.972 85 3HD2 LEU 10 3HD2 LEU 10 10.499 16.491 -11.047 86 H LYS 11 H LYS 11 13.643 11.133 -10.135 87 HA LYS 11 HA LYS 11 14.751 9.628 -12.319 88 1HB LYS 11 1HB LYS 11 14.205 8.841 -9.420 89 2HB LYS 11 2HB LYS 11 15.341 8.020 -10.490 90 1HG LYS 11 1HG LYS 11 15.687 10.954 -9.661 91 2HG LYS 11 2HG LYS 11 16.210 9.593 -8.675 92 1HD LYS 11 1HD LYS 11 17.692 8.785 -10.424 93 2HD LYS 11 2HD LYS 11 17.220 10.130 -11.491 94 1HE LYS 11 1HE LYS 11 18.129 11.768 -9.942 95 2HE LYS 11 2HE LYS 11 18.367 10.542 -8.687 96 1HZ LYS 11 1HZ LYS 11 20.002 9.501 -10.064 97 2HZ LYS 11 2HZ LYS 11 19.808 10.638 -11.243 98 3HZ LYS 11 3HZ LYS 11 20.404 11.068 -9.769 99 H ASP 12 H ASP 12 11.800 9.528 -10.333 100 HA ASP 12 HA ASP 12 10.836 6.976 -11.266 101 1HB ASP 12 1HB ASP 12 9.171 9.179 -10.057 102 2HB ASP 12 2HB ASP 12 8.971 7.428 -9.925 103 H ALA 13 H ALA 13 9.481 6.680 -12.945 104 HA ALA 13 HA ALA 13 9.020 8.908 -14.808 105 1HB ALA 13 1HB ALA 13 10.081 6.819 -15.635 106 2HB ALA 13 2HB ALA 13 8.640 5.896 -15.167 107 3HB ALA 13 3HB ALA 13 8.533 7.114 -16.455 108 H GLU 14 H GLU 14 7.009 6.299 -13.548 109 HA GLU 14 HA GLU 14 4.564 7.028 -14.668 110 1HB GLU 14 1HB GLU 14 5.062 5.770 -11.936 111 2HB GLU 14 2HB GLU 14 3.507 5.812 -12.780 112 1HG GLU 14 1HG GLU 14 4.467 4.527 -14.662 113 2HG GLU 14 2HG GLU 14 6.026 4.437 -13.819 114 H ALA 15 H ALA 15 6.004 8.174 -11.654 115 HA ALA 15 HA ALA 15 3.773 9.837 -10.863 116 1HB ALA 15 1HB ALA 15 6.682 9.911 -9.993 117 2HB ALA 15 2HB ALA 15 5.336 10.780 -9.219 118 3HB ALA 15 3HB ALA 15 5.365 9.004 -9.204 119 H VAL 16 H VAL 16 6.573 10.264 -12.939 120 HA VAL 16 HA VAL 16 6.370 13.192 -12.996 121 HB VAL 16 HB VAL 16 8.300 11.285 -13.956 122 1HG1 VAL 16 1HG1 VAL 16 7.603 13.436 -15.974 123 2HG1 VAL 16 2HG1 VAL 16 9.030 12.386 -15.989 124 3HG1 VAL 16 3HG1 VAL 16 7.435 11.680 -16.264 125 1HG2 VAL 16 1HG2 VAL 16 8.773 13.027 -12.461 126 2HG2 VAL 16 2HG2 VAL 16 9.781 13.050 -13.926 127 3HG2 VAL 16 3HG2 VAL 16 8.419 14.209 -13.773 128 H GLN 17 H GLN 17 5.163 10.388 -14.756 129 HA GLN 17 HA GLN 17 4.078 11.945 -16.934 130 1HB GLN 17 1HB GLN 17 4.508 9.381 -16.932 131 2HB GLN 17 2HB GLN 17 2.999 9.234 -16.001 132 1HG GLN 17 1HG GLN 17 1.787 10.391 -17.853 133 2HG GLN 17 2HG GLN 17 3.316 10.551 -18.728 134 1HE2 GLN 17 2HE2 GLN 17 2.749 9.290 -20.556 135 2HE2 GLN 17 1HE2 GLN 17 2.379 7.587 -20.439 136 H LYS 18 H LYS 18 2.798 10.608 -13.897 137 HA LYS 18 HA LYS 18 0.122 11.535 -14.078 138 1HB LYS 18 1HB LYS 18 1.982 11.130 -11.708 139 2HB LYS 18 2HB LYS 18 0.284 11.548 -11.523 140 1HG LYS 18 1HG LYS 18 0.830 9.213 -13.312 141 2HG LYS 18 2HG LYS 18 1.276 8.969 -11.626 142 1HD LYS 18 1HD LYS 18 -1.470 9.992 -12.456 143 2HD LYS 18 2HD LYS 18 -1.076 8.270 -12.315 144 1HE LYS 18 1HE LYS 18 -0.416 8.583 -9.941 145 2HE LYS 18 2HE LYS 18 -0.856 10.296 -10.031 146 1HZ LYS 18 1HZ LYS 18 -2.687 8.035 -10.419 147 2HZ LYS 18 2HZ LYS 18 -2.581 8.988 -9.081 148 3HZ LYS 18 3HZ LYS 18 -3.099 9.630 -10.503 149 H PHE 19 H PHE 19 2.988 13.065 -12.635 150 HA PHE 19 HA PHE 19 1.854 15.520 -11.841 151 1HB PHE 19 1HB PHE 19 3.919 14.758 -10.922 152 2HB PHE 19 2HB PHE 19 4.578 14.462 -12.532 153 HD1 PHE 19 HD1 PHE 19 3.145 17.841 -11.971 154 HD2 PHE 19 HD2 PHE 19 6.666 15.328 -11.838 155 HE1 PHE 19 HE1 PHE 19 4.574 19.836 -11.953 156 HE2 PHE 19 HE2 PHE 19 8.084 17.343 -11.801 157 HZ PHE 19 HZ PHE 19 7.035 19.601 -11.874 158 H PHE 20 H PHE 20 3.752 14.787 -14.802 159 HA PHE 20 HA PHE 20 3.807 17.300 -15.965 160 1HB PHE 20 1HB PHE 20 4.987 15.417 -16.924 161 2HB PHE 20 2HB PHE 20 3.483 14.561 -17.263 162 HD1 PHE 20 HD1 PHE 20 4.705 18.062 -17.998 163 HD2 PHE 20 HD2 PHE 20 3.254 14.305 -19.552 164 HE1 PHE 20 HE1 PHE 20 4.778 18.976 -20.299 165 HE2 PHE 20 HE2 PHE 20 3.339 15.236 -21.848 166 HZ PHE 20 HZ PHE 20 4.108 17.549 -22.222 167 H LEU 21 H LEU 21 1.327 14.757 -16.296 168 HA LEU 21 HA LEU 21 -0.628 16.312 -17.744 169 1HB LEU 21 1HB LEU 21 -0.369 13.644 -16.311 170 2HB LEU 21 2HB LEU 21 -1.974 14.279 -16.297 171 HG LEU 21 HG LEU 21 -0.496 13.837 -18.970 172 1HD1 LEU 21 1HD1 LEU 21 -2.300 11.980 -17.365 173 2HD1 LEU 21 2HD1 LEU 21 -1.717 11.718 -19.024 174 3HD1 LEU 21 3HD1 LEU 21 -0.568 11.754 -17.682 175 1HD2 LEU 21 1HD2 LEU 21 -3.369 14.379 -18.011 176 2HD2 LEU 21 2HD2 LEU 21 -2.380 15.383 -19.087 177 3HD2 LEU 21 3HD2 LEU 21 -2.971 13.796 -19.607 178 H GLU 22 H GLU 22 -0.206 15.673 -14.251 179 HA GLU 22 HA GLU 22 -2.643 16.839 -13.444 180 1HB GLU 22 1HB GLU 22 -1.100 15.565 -11.939 181 2HB GLU 22 2HB GLU 22 0.004 16.956 -11.931 182 1HG GLU 22 1HG GLU 22 -1.703 18.344 -10.868 183 2HG GLU 22 2HG GLU 22 -2.877 17.018 -10.972 184 H GLU 23 H GLU 23 0.426 18.323 -14.434 185 HA GLU 23 HA GLU 23 -0.355 20.991 -13.573 186 1HB GLU 23 1HB GLU 23 1.967 20.097 -13.480 187 2HB GLU 23 2HB GLU 23 2.055 20.191 -15.249 188 1HG GLU 23 1HG GLU 23 1.782 22.551 -15.210 189 2HG GLU 23 2HG GLU 23 1.216 22.557 -13.526 190 H ILE 24 H ILE 24 -0.149 19.122 -16.569 191 HA ILE 24 HA ILE 24 -0.813 21.234 -18.371 192 HB ILE 24 HB ILE 24 -0.275 18.462 -18.705 193 1HG1 ILE 24 1HG1 ILE 24 -0.865 20.514 -20.876 194 2HG1 ILE 24 2HG1 ILE 24 0.708 19.924 -20.289 195 1HG2 ILE 24 1HG2 ILE 24 -2.710 17.907 -18.571 196 2HG2 ILE 24 2HG2 ILE 24 -2.956 18.985 -19.946 197 3HG2 ILE 24 3HG2 ILE 24 -1.995 17.513 -20.075 198 1HD1 ILE 24 1HD1 ILE 24 0.026 17.648 -21.073 199 2HD1 ILE 24 2HD1 ILE 24 -1.369 18.457 -21.853 200 3HD1 ILE 24 3HD1 ILE 24 0.244 18.925 -22.299 201 H GLN 25 H GLN 25 -2.837 18.957 -16.591 202 HA GLN 25 HA GLN 25 -5.349 20.144 -17.450 203 1HB GLN 25 1HB GLN 25 -4.736 18.272 -15.101 204 2HB GLN 25 2HB GLN 25 -6.346 18.680 -15.704 205 1HG GLN 25 1HG GLN 25 -5.737 17.560 -17.903 206 2HG GLN 25 2HG GLN 25 -4.256 16.977 -17.155 207 1HE2 GLN 25 2HE2 GLN 25 -4.600 15.845 -14.942 208 2HE2 GLN 25 1HE2 GLN 25 -5.939 14.715 -14.912 209 H LEU 26 H LEU 26 -3.508 20.366 -14.447 210 HA LEU 26 HA LEU 26 -5.300 22.056 -13.041 211 1HB LEU 26 1HB LEU 26 -3.564 21.014 -11.864 212 2HB LEU 26 2HB LEU 26 -2.304 21.779 -12.862 213 HG LEU 26 HG LEU 26 -2.298 22.572 -10.647 214 1HD1 LEU 26 1HD1 LEU 26 -1.738 24.142 -12.569 215 2HD1 LEU 26 2HD1 LEU 26 -3.308 24.924 -12.245 216 3HD1 LEU 26 3HD1 LEU 26 -2.091 24.857 -10.977 217 1HD2 LEU 26 1HD2 LEU 26 -4.628 22.211 -10.095 218 2HD2 LEU 26 2HD2 LEU 26 -4.100 23.862 -9.682 219 3HD2 LEU 26 3HD2 LEU 26 -5.104 23.583 -11.136 220 H GLY 27 H GLY 27 -2.653 22.955 -15.317 221 1HA GLY 27 1HA GLY 27 -3.065 25.798 -15.135 222 2HA GLY 27 2HA GLY 27 -2.350 24.951 -16.529 223 H GLU 28 H GLU 28 -4.183 23.539 -17.803 224 HA GLU 28 HA GLU 28 -5.913 25.454 -18.890 225 1HB GLU 28 1HB GLU 28 -6.103 22.438 -18.897 226 2HB GLU 28 2HB GLU 28 -7.158 23.486 -19.863 227 1HG GLU 28 1HG GLU 28 -4.099 23.600 -20.000 228 2HG GLU 28 2HG GLU 28 -5.104 22.689 -21.109 229 H GLU 29 H GLU 29 -6.531 23.572 -16.016 230 HA GLU 29 HA GLU 29 -9.353 24.256 -15.840 231 1HB GLU 29 1HB GLU 29 -8.691 22.283 -14.736 232 2HB GLU 29 2HB GLU 29 -7.400 23.109 -13.837 233 1HG GLU 29 1HG GLU 29 -9.008 24.344 -12.513 234 2HG GLU 29 2HG GLU 29 -10.351 23.724 -13.494 235 H LEU 30 H LEU 30 -6.340 25.620 -14.356 236 HA LEU 30 HA LEU 30 -7.800 27.628 -12.909 237 1HB LEU 30 1HB LEU 30 -4.909 27.225 -13.802 238 2HB LEU 30 2HB LEU 30 -5.382 28.837 -13.324 239 HG LEU 30 HG LEU 30 -5.475 26.399 -11.501 240 1HD1 LEU 30 1HD1 LEU 30 -3.215 27.288 -12.112 241 2HD1 LEU 30 2HD1 LEU 30 -3.710 28.870 -11.469 242 3HD1 LEU 30 3HD1 LEU 30 -3.610 27.462 -10.391 243 1HD2 LEU 30 1HD2 LEU 30 -6.093 29.367 -10.975 244 2HD2 LEU 30 2HD2 LEU 30 -7.242 28.025 -10.802 245 3HD2 LEU 30 3HD2 LEU 30 -5.862 28.149 -9.712 246 H LEU 31 H LEU 31 -6.491 27.494 -16.177 247 HA LEU 31 HA LEU 31 -7.223 30.239 -16.877 248 1HB LEU 31 1HB LEU 31 -6.746 27.672 -18.412 249 2HB LEU 31 2HB LEU 31 -7.159 29.188 -19.221 250 HG LEU 31 HG LEU 31 -5.208 30.246 -18.672 251 1HD1 LEU 31 1HD1 LEU 31 -5.162 29.848 -16.168 252 2HD1 LEU 31 2HD1 LEU 31 -4.270 28.358 -16.512 253 3HD1 LEU 31 3HD1 LEU 31 -3.667 29.927 -17.035 254 1HD2 LEU 31 1HD2 LEU 31 -4.984 28.233 -20.126 255 2HD2 LEU 31 2HD2 LEU 31 -3.463 28.631 -19.275 256 3HD2 LEU 31 3HD2 LEU 31 -4.483 27.298 -18.693 257 H ALA 32 H ALA 32 -8.929 27.179 -16.776 258 HA ALA 32 HA ALA 32 -11.280 28.079 -18.078 259 1HB ALA 32 1HB ALA 32 -10.747 25.662 -17.376 260 2HB ALA 32 2HB ALA 32 -11.376 26.098 -15.771 261 3HB ALA 32 3HB ALA 32 -12.423 26.202 -17.174 262 H GLN 33 H GLN 33 -9.916 28.983 -15.019 263 HA GLN 33 HA GLN 33 -12.425 30.214 -14.072 264 1HB GLN 33 1HB GLN 33 -10.296 28.957 -12.770 265 2HB GLN 33 2HB GLN 33 -9.932 30.663 -12.513 266 1HG GLN 33 1HG GLN 33 -12.698 29.472 -11.978 267 2HG GLN 33 2HG GLN 33 -11.377 29.338 -10.822 268 1HE2 GLN 33 2HE2 GLN 33 -12.534 32.152 -12.881 269 2HE2 GLN 33 1HE2 GLN 33 -12.687 33.210 -11.498 270 H GLY 34 H GLY 34 -9.205 30.852 -15.257 271 1HA GLY 34 1HA GLY 34 -9.169 32.704 -16.975 272 2HA GLY 34 2HA GLY 34 -9.786 33.755 -15.701 273 H ASP 35 H ASP 35 -7.467 31.402 -14.508 274 HA ASP 35 HA ASP 35 -5.625 33.687 -14.125 275 1HB ASP 35 1HB ASP 35 -6.285 32.140 -12.279 276 2HB ASP 35 2HB ASP 35 -5.219 30.937 -13.005 277 H TYR 36 H TYR 36 -5.474 33.547 -16.592 278 HA TYR 36 HA TYR 36 -3.897 31.936 -18.156 279 1HB TYR 36 1HB TYR 36 -3.737 34.941 -18.202 280 2HB TYR 36 2HB TYR 36 -3.570 33.802 -19.537 281 HD1 TYR 36 HD1 TYR 36 -5.791 32.178 -19.780 282 HD2 TYR 36 HD2 TYR 36 -5.727 36.168 -18.144 283 HE1 TYR 36 HE1 TYR 36 -8.198 32.418 -20.279 284 HE2 TYR 36 HE2 TYR 36 -8.138 36.406 -18.648 285 HH TYR 36 HH TYR 36 -10.047 33.788 -20.167 286 H GLU 37 H GLU 37 -2.762 34.378 -15.950 287 HA GLU 37 HA GLU 37 -0.017 34.230 -16.653 288 1HB GLU 37 1HB GLU 37 -1.248 35.115 -14.015 289 2HB GLU 37 2HB GLU 37 0.452 35.281 -14.477 290 1HG GLU 37 1HG GLU 37 -0.667 36.420 -16.678 291 2HG GLU 37 2HG GLU 37 -1.944 36.769 -15.508 292 H LYS 38 H LYS 38 -1.901 32.476 -14.287 293 HA LYS 38 HA LYS 38 0.397 30.911 -13.419 294 1HB LYS 38 1HB LYS 38 -2.558 30.829 -12.862 295 2HB LYS 38 2HB LYS 38 -1.698 29.327 -12.656 296 1HG LYS 38 1HG LYS 38 -0.649 31.856 -11.358 297 2HG LYS 38 2HG LYS 38 -1.897 30.877 -10.585 298 1HD LYS 38 1HD LYS 38 -0.584 29.014 -10.300 299 2HD LYS 38 2HD LYS 38 0.521 29.385 -11.623 300 1HE LYS 38 1HE LYS 38 0.463 31.086 -9.107 301 2HE LYS 38 2HE LYS 38 1.403 29.586 -9.213 302 1HZ LYS 38 1HZ LYS 38 1.724 31.817 -11.089 303 2HZ LYS 38 2HZ LYS 38 2.704 31.507 -9.800 304 3HZ LYS 38 3HZ LYS 38 2.610 30.424 -11.029 305 H GLY 39 H GLY 39 -1.999 30.545 -15.993 306 1HA GLY 39 1HA GLY 39 -1.310 27.802 -16.583 307 2HA GLY 39 2HA GLY 39 -1.934 28.976 -17.757 308 H VAL 40 H VAL 40 0.118 30.959 -17.519 309 HA VAL 40 HA VAL 40 1.926 29.800 -19.447 310 HB VAL 40 HB VAL 40 2.084 32.423 -17.878 311 1HG1 VAL 40 1HG1 VAL 40 3.927 31.414 -20.042 312 2HG1 VAL 40 2HG1 VAL 40 3.822 33.099 -19.506 313 3HG1 VAL 40 3HG1 VAL 40 4.361 31.858 -18.380 314 1HG2 VAL 40 1HG2 VAL 40 1.403 31.814 -20.804 315 2HG2 VAL 40 2HG2 VAL 40 0.287 32.438 -19.582 316 3HG2 VAL 40 3HG2 VAL 40 1.621 33.425 -20.156 317 H ASP 41 H ASP 41 2.246 30.536 -16.022 318 HA ASP 41 HA ASP 41 4.967 29.691 -15.705 319 1HB ASP 41 1HB ASP 41 4.093 31.124 -14.046 320 2HB ASP 41 2HB ASP 41 2.660 30.118 -13.795 321 H HIS 42 H HIS 42 1.947 28.007 -15.003 322 HA HIS 42 HA HIS 42 3.152 25.530 -14.237 323 1HB HIS 42 1HB HIS 42 0.338 26.274 -15.104 324 2HB HIS 42 2HB HIS 42 0.787 24.606 -14.786 325 HD1 HIS 42 HD1 HIS 42 2.314 24.437 -12.337 326 HD2 HIS 42 HD2 HIS 42 -0.725 27.294 -12.765 327 HE1 HIS 42 HE1 HIS 42 1.584 25.128 -9.999 328 H LEU 43 H LEU 43 2.065 26.777 -17.425 329 HA LEU 43 HA LEU 43 2.527 24.181 -18.653 330 1HB LEU 43 1HB LEU 43 1.186 26.258 -19.634 331 2HB LEU 43 2HB LEU 43 2.779 26.721 -20.250 332 HG LEU 43 HG LEU 43 2.791 24.147 -21.018 333 1HD1 LEU 43 1HD1 LEU 43 0.609 23.602 -19.849 334 2HD1 LEU 43 2HD1 LEU 43 -0.209 24.786 -20.884 335 3HD1 LEU 43 3HD1 LEU 43 0.517 23.342 -21.601 336 1HD2 LEU 43 1HD2 LEU 43 1.098 26.310 -22.366 337 2HD2 LEU 43 2HD2 LEU 43 2.834 26.003 -22.617 338 3HD2 LEU 43 3HD2 LEU 43 1.636 24.812 -23.154 339 H THR 44 H THR 44 4.472 27.182 -18.132 340 HA THR 44 HA THR 44 6.781 26.417 -19.488 341 HB THR 44 HB THR 44 6.637 28.058 -16.962 342 HG1 THR 44 HG1 THR 44 5.597 28.901 -18.796 343 1HG2 THR 44 1HG2 THR 44 8.912 27.593 -18.934 344 2HG2 THR 44 2HG2 THR 44 8.854 28.895 -17.730 345 3HG2 THR 44 3HG2 THR 44 8.927 27.210 -17.197 346 H ASN 45 H ASN 45 5.615 25.497 -16.314 347 HA ASN 45 HA ASN 45 7.957 24.001 -15.481 348 1HB ASN 45 1HB ASN 45 5.159 24.183 -14.418 349 2HB ASN 45 2HB ASN 45 6.287 22.944 -13.835 350 1HD2 ASN 45 2HD2 ASN 45 5.704 26.454 -13.977 351 2HD2 ASN 45 1HD2 ASN 45 6.819 26.856 -12.705 352 H ALA 46 H ALA 46 4.851 23.112 -17.070 353 HA ALA 46 HA ALA 46 5.284 20.347 -17.097 354 1HB ALA 46 1HB ALA 46 3.151 21.408 -17.582 355 2HB ALA 46 2HB ALA 46 3.751 21.929 -19.172 356 3HB ALA 46 3HB ALA 46 3.588 20.207 -18.779 357 H ILE 47 H ILE 47 6.408 22.921 -19.325 358 HA ILE 47 HA ILE 47 7.809 21.201 -21.150 359 HB ILE 47 HB ILE 47 8.239 24.118 -20.459 360 1HG1 ILE 47 1HG1 ILE 47 7.560 24.389 -22.938 361 2HG1 ILE 47 2HG1 ILE 47 7.015 22.701 -22.884 362 1HG2 ILE 47 1HG2 ILE 47 9.931 22.510 -22.318 363 2HG2 ILE 47 2HG2 ILE 47 9.796 24.281 -22.376 364 3HG2 ILE 47 3HG2 ILE 47 10.415 23.504 -20.938 365 1HD1 ILE 47 1HD1 ILE 47 6.067 24.937 -21.074 366 2HD1 ILE 47 2HD1 ILE 47 5.234 24.434 -22.542 367 3HD1 ILE 47 3HD1 ILE 47 5.366 23.285 -21.211 368 H ALA 48 H ALA 48 8.711 22.637 -18.121 369 HA ALA 48 HA ALA 48 11.494 22.089 -18.254 370 1HB ALA 48 1HB ALA 48 10.491 23.685 -16.610 371 2HB ALA 48 2HB ALA 48 9.879 22.286 -15.684 372 3HB ALA 48 3HB ALA 48 11.617 22.512 -15.894 373 H VAL 49 H VAL 49 8.757 20.078 -17.320 374 HA VAL 49 HA VAL 49 10.649 17.923 -16.511 375 HB VAL 49 HB VAL 49 8.899 16.894 -15.444 376 1HG1 VAL 49 1HG1 VAL 49 9.884 18.939 -14.357 377 2HG1 VAL 49 2HG1 VAL 49 8.475 19.865 -14.928 378 3HG1 VAL 49 3HG1 VAL 49 8.247 18.530 -13.817 379 1HG2 VAL 49 1HG2 VAL 49 7.025 17.197 -17.023 380 2HG2 VAL 49 2HG2 VAL 49 6.589 17.628 -15.359 381 3HG2 VAL 49 3HG2 VAL 49 6.929 18.910 -16.532 382 H CYS 50 H CYS 50 8.888 18.978 -19.312 383 HA CYS 50 HA CYS 50 8.638 16.200 -20.336 384 1HB CYS 50 1HB CYS 50 6.859 17.643 -20.793 385 2HB CYS 50 2HB CYS 50 7.901 18.888 -21.514 386 HG CYS 50 HG CYS 50 7.538 15.750 -22.466 387 H GLY 51 H GLY 51 10.378 19.261 -21.252 388 1HA GLY 51 1HA GLY 51 12.558 19.460 -21.997 389 2HA GLY 51 2HA GLY 51 12.768 17.707 -21.966 390 H GLN 52 H GLN 52 9.960 18.139 -23.584 391 HA GLN 52 HA GLN 52 11.115 18.566 -26.353 392 1HB GLN 52 1HB GLN 52 10.710 16.098 -25.576 393 2HB GLN 52 2HB GLN 52 9.009 16.517 -25.693 394 1HG GLN 52 1HG GLN 52 9.426 15.733 -27.839 395 2HG GLN 52 2HG GLN 52 9.706 17.485 -28.058 396 1HE2 GLN 52 2HE2 GLN 52 10.719 16.355 -30.043 397 2HE2 GLN 52 1HE2 GLN 52 12.442 16.049 -29.891 398 HA PRO 53 HA PRO 53 7.578 21.281 -24.718 399 1HB PRO 53 1HB PRO 53 8.584 23.641 -25.912 400 2HB PRO 53 2HB PRO 53 8.815 23.116 -24.236 401 1HG PRO 53 1HG PRO 53 10.692 22.668 -26.542 402 2HG PRO 53 2HG PRO 53 11.068 23.249 -24.890 403 1HD PRO 53 1HD PRO 53 11.475 20.719 -25.462 404 2HD PRO 53 2HD PRO 53 10.617 21.112 -23.944 405 H GLN 54 H GLN 54 9.207 21.663 -27.814 406 HA GLN 54 HA GLN 54 6.985 22.654 -29.275 407 1HB GLN 54 1HB GLN 54 9.327 21.017 -30.384 408 2HB GLN 54 2HB GLN 54 8.279 22.122 -31.283 409 1HG GLN 54 1HG GLN 54 9.158 24.022 -29.802 410 2HG GLN 54 2HG GLN 54 10.347 22.891 -29.151 411 1HE2 GLN 54 2HE2 GLN 54 11.821 21.795 -30.758 412 2HE2 GLN 54 1HE2 GLN 54 12.287 22.730 -32.165 413 H GLN 55 H GLN 55 7.842 19.263 -28.599 414 HA GLN 55 HA GLN 55 5.873 18.233 -30.414 415 1HB GLN 55 1HB GLN 55 7.761 17.100 -28.686 416 2HB GLN 55 2HB GLN 55 6.250 16.662 -27.916 417 1HG GLN 55 1HG GLN 55 6.796 14.890 -29.399 418 2HG GLN 55 2HG GLN 55 5.482 15.784 -30.176 419 1HE2 GLN 55 2HE2 GLN 55 5.912 15.627 -32.379 420 2HE2 GLN 55 1HE2 GLN 55 7.460 15.979 -33.119 421 H LEU 56 H LEU 56 5.846 19.135 -26.988 422 HA LEU 56 HA LEU 56 3.203 18.429 -26.614 423 1HB LEU 56 1HB LEU 56 4.766 18.823 -24.724 424 2HB LEU 56 2HB LEU 56 4.686 20.560 -25.052 425 HG LEU 56 HG LEU 56 2.205 20.482 -24.609 426 1HD1 LEU 56 1HD1 LEU 56 2.587 17.599 -24.572 427 2HD1 LEU 56 2HD1 LEU 56 2.135 18.111 -22.951 428 3HD1 LEU 56 3HD1 LEU 56 1.105 18.506 -24.301 429 1HD2 LEU 56 1HD2 LEU 56 4.203 19.783 -22.473 430 2HD2 LEU 56 2HD2 LEU 56 3.690 21.376 -23.031 431 3HD2 LEU 56 3HD2 LEU 56 2.544 20.350 -22.147 432 H LEU 57 H LEU 57 4.669 21.522 -27.662 433 HA LEU 57 HA LEU 57 2.150 22.967 -27.604 434 1HB LEU 57 1HB LEU 57 4.527 23.657 -29.358 435 2HB LEU 57 2HB LEU 57 3.208 24.714 -28.844 436 HG LEU 57 HG LEU 57 5.528 23.678 -27.183 437 1HD1 LEU 57 1HD1 LEU 57 5.781 25.718 -28.579 438 2HD1 LEU 57 2HD1 LEU 57 4.626 26.495 -27.468 439 3HD1 LEU 57 3HD1 LEU 57 6.147 25.857 -26.848 440 1HD2 LEU 57 1HD2 LEU 57 3.035 25.053 -26.082 441 2HD2 LEU 57 2HD2 LEU 57 3.581 23.411 -25.682 442 3HD2 LEU 57 3HD2 LEU 57 4.551 24.799 -25.201 443 H GLN 58 H GLN 58 3.631 20.938 -30.110 444 HA GLN 58 HA GLN 58 1.579 21.517 -32.055 445 1HB GLN 58 1HB GLN 58 3.506 19.199 -31.685 446 2HB GLN 58 2HB GLN 58 2.375 19.311 -33.043 447 1HG GLN 58 1HG GLN 58 3.363 21.322 -33.869 448 2HG GLN 58 2HG GLN 58 4.331 21.560 -32.412 449 1HE2 GLN 58 2HE2 GLN 58 5.986 19.917 -31.896 450 2HE2 GLN 58 1HE2 GLN 58 6.822 19.116 -33.223 451 H VAL 59 H VAL 59 1.985 19.032 -29.529 452 HA VAL 59 HA VAL 59 -0.351 17.628 -30.155 453 HB VAL 59 HB VAL 59 1.710 17.046 -28.545 454 1HG1 VAL 59 1HG1 VAL 59 -0.564 17.719 -26.568 455 2HG1 VAL 59 2HG1 VAL 59 0.840 16.713 -26.179 456 3HG1 VAL 59 3HG1 VAL 59 1.026 18.403 -26.520 457 1HG2 VAL 59 1HG2 VAL 59 -0.965 15.873 -28.341 458 2HG2 VAL 59 2HG2 VAL 59 0.347 15.496 -29.496 459 3HG2 VAL 59 3HG2 VAL 59 0.592 15.204 -27.761 460 H LEU 60 H LEU 60 0.111 20.487 -28.253 461 HA LEU 60 HA LEU 60 -2.599 20.440 -27.058 462 1HB LEU 60 1HB LEU 60 -0.312 22.425 -27.395 463 2HB LEU 60 2HB LEU 60 -1.894 23.043 -26.995 464 HG LEU 60 HG LEU 60 -0.068 22.586 -25.198 465 1HD1 LEU 60 1HD1 LEU 60 -2.390 23.493 -24.766 466 2HD1 LEU 60 2HD1 LEU 60 -3.043 21.848 -24.819 467 3HD1 LEU 60 3HD1 LEU 60 -1.952 22.330 -23.507 468 1HD2 LEU 60 1HD2 LEU 60 0.134 20.141 -25.562 469 2HD2 LEU 60 2HD2 LEU 60 -0.344 20.555 -23.918 470 3HD2 LEU 60 3HD2 LEU 60 -1.540 19.906 -25.056 471 H GLN 61 H GLN 61 -0.948 21.870 -29.895 472 HA GLN 61 HA GLN 61 -3.248 23.361 -30.747 473 1HB GLN 61 1HB GLN 61 -1.125 24.069 -31.545 474 2HB GLN 61 2HB GLN 61 -0.722 22.482 -32.207 475 1HG GLN 61 1HG GLN 61 -2.293 22.715 -34.017 476 2HG GLN 61 2HG GLN 61 -3.004 24.172 -33.307 477 1HE2 GLN 61 2HE2 GLN 61 -1.726 26.148 -33.263 478 2HE2 GLN 61 1HE2 GLN 61 -0.426 26.357 -34.419 479 H GLN 62 H GLN 62 -2.291 20.027 -31.190 480 HA GLN 62 HA GLN 62 -4.010 19.453 -33.399 481 1HB GLN 62 1HB GLN 62 -3.064 17.456 -33.381 482 2HB GLN 62 2HB GLN 62 -1.988 18.109 -32.167 483 1HG GLN 62 1HG GLN 62 -2.639 16.000 -31.368 484 2HG GLN 62 2HG GLN 62 -3.548 17.138 -30.382 485 1HE2 GLN 62 2HE2 GLN 62 -3.950 15.426 -33.564 486 2HE2 GLN 62 1HE2 GLN 62 -5.580 14.882 -33.221 487 H THR 63 H THR 63 -4.442 19.362 -29.865 488 HA THR 63 HA THR 63 -7.157 18.297 -30.179 489 HB THR 63 HB THR 63 -5.875 17.409 -28.458 490 HG1 THR 63 HG1 THR 63 -7.460 17.710 -26.835 491 1HG2 THR 63 1HG2 THR 63 -5.640 20.213 -27.375 492 2HG2 THR 63 2HG2 THR 63 -5.667 18.804 -26.329 493 3HG2 THR 63 3HG2 THR 63 -4.405 18.945 -27.567 494 H LEU 64 H LEU 64 -5.664 21.394 -29.395 495 HA LEU 64 HA LEU 64 -8.066 22.779 -30.254 496 1HB LEU 64 1HB LEU 64 -8.666 23.857 -28.124 497 2HB LEU 64 2HB LEU 64 -8.853 22.118 -28.041 498 HG LEU 64 HG LEU 64 -6.239 22.462 -27.097 499 1HD1 LEU 64 1HD1 LEU 64 -6.542 24.939 -27.017 500 2HD1 LEU 64 2HD1 LEU 64 -7.953 24.714 -25.966 501 3HD1 LEU 64 3HD1 LEU 64 -6.340 24.229 -25.410 502 1HD2 LEU 64 1HD2 LEU 64 -8.819 22.371 -25.494 503 2HD2 LEU 64 2HD2 LEU 64 -7.942 20.970 -26.154 504 3HD2 LEU 64 3HD2 LEU 64 -7.194 21.971 -24.895 505 HA PRO 65 HA PRO 65 -4.915 25.835 -30.958 506 1HB PRO 65 1HB PRO 65 -6.377 28.143 -31.261 507 2HB PRO 65 2HB PRO 65 -6.280 26.841 -32.479 508 1HG PRO 65 1HG PRO 65 -8.448 27.268 -30.410 509 2HG PRO 65 2HG PRO 65 -8.646 26.951 -32.157 510 1HD PRO 65 1HD PRO 65 -8.847 24.969 -30.319 511 2HD PRO 65 2HD PRO 65 -8.043 24.662 -31.888 512 HA PRO 66 HA PRO 66 -4.803 27.084 -26.522 513 1HB PRO 66 1HB PRO 66 -2.218 27.120 -26.091 514 2HB PRO 66 2HB PRO 66 -3.080 25.621 -26.468 515 1HG PRO 66 1HG PRO 66 -1.474 27.251 -28.472 516 2HG PRO 66 2HG PRO 66 -1.399 25.505 -28.141 517 1HD PRO 66 1HD PRO 66 -2.924 26.721 -30.119 518 2HD PRO 66 2HD PRO 66 -3.305 25.152 -29.368 519 HA PRO 67 HA PRO 67 -4.397 31.500 -27.681 520 1HB PRO 67 1HB PRO 67 -5.956 32.608 -25.756 521 2HB PRO 67 2HB PRO 67 -6.650 31.713 -27.137 522 1HG PRO 67 1HG PRO 67 -6.182 30.692 -24.328 523 2HG PRO 67 2HG PRO 67 -7.635 30.508 -25.340 524 1HD PRO 67 1HD PRO 67 -5.689 28.570 -25.124 525 2HD PRO 67 2HD PRO 67 -6.674 28.805 -26.594 526 H VAL 68 H VAL 68 -4.148 30.101 -24.457 527 HA VAL 68 HA VAL 68 -2.562 32.113 -23.216 528 HB VAL 68 HB VAL 68 -3.179 29.222 -22.508 529 1HG1 VAL 68 1HG1 VAL 68 -0.998 30.892 -21.239 530 2HG1 VAL 68 2HG1 VAL 68 -1.751 29.454 -20.515 531 3HG1 VAL 68 3HG1 VAL 68 -0.836 29.293 -22.009 532 1HG2 VAL 68 1HG2 VAL 68 -4.706 31.159 -21.995 533 2HG2 VAL 68 2HG2 VAL 68 -4.054 30.409 -20.536 534 3HG2 VAL 68 3HG2 VAL 68 -3.380 31.934 -21.096 535 H PHE 69 H PHE 69 -1.687 29.233 -25.056 536 HA PHE 69 HA PHE 69 1.132 29.220 -24.842 537 1HB PHE 69 1HB PHE 69 0.285 27.519 -26.158 538 2HB PHE 69 2HB PHE 69 -0.868 28.603 -26.915 539 HD1 PHE 69 HD1 PHE 69 2.644 27.483 -27.103 540 HD2 PHE 69 HD2 PHE 69 -0.533 29.733 -28.931 541 HE1 PHE 69 HE1 PHE 69 3.958 27.642 -29.248 542 HE2 PHE 69 HE2 PHE 69 0.767 29.886 -31.038 543 HZ PHE 69 HZ PHE 69 3.015 28.837 -31.188 544 H GLN 70 H GLN 70 -0.888 31.279 -26.896 545 HA GLN 70 HA GLN 70 1.286 32.672 -28.139 546 1HB GLN 70 1HB GLN 70 -1.036 32.637 -29.005 547 2HB GLN 70 2HB GLN 70 -1.542 33.750 -27.730 548 1HG GLN 70 1HG GLN 70 0.801 34.634 -29.381 549 2HG GLN 70 2HG GLN 70 -0.738 34.470 -30.222 550 1HE2 GLN 70 2HE2 GLN 70 0.855 36.179 -27.503 551 2HE2 GLN 70 1HE2 GLN 70 -0.298 37.502 -27.478 552 H MET 71 H MET 71 -0.359 33.170 -25.086 553 HA MET 71 HA MET 71 0.904 35.734 -24.525 554 1HB MET 71 1HB MET 71 -0.756 34.027 -22.635 555 2HB MET 71 2HB MET 71 -0.358 35.746 -22.524 556 1HG MET 71 1HG MET 71 -1.604 35.812 -24.919 557 2HG MET 71 2HG MET 71 -2.381 34.365 -24.280 558 1HE MET 71 1HE MET 71 -3.832 34.348 -22.057 559 2HE MET 71 2HE MET 71 -2.517 35.137 -21.144 560 3HE MET 71 3HE MET 71 -4.164 35.809 -21.094 561 H LEU 72 H LEU 72 1.528 32.309 -23.931 562 HA LEU 72 HA LEU 72 3.462 32.700 -21.840 563 1HB LEU 72 1HB LEU 72 2.813 30.461 -21.876 564 2HB LEU 72 2HB LEU 72 2.516 30.492 -23.597 565 HG LEU 72 HG LEU 72 4.948 30.355 -24.029 566 1HD1 LEU 72 1HD1 LEU 72 5.761 31.161 -21.741 567 2HD1 LEU 72 2HD1 LEU 72 5.115 29.664 -21.049 568 3HD1 LEU 72 3HD1 LEU 72 6.442 29.598 -22.219 569 1HD2 LEU 72 1HD2 LEU 72 3.487 28.395 -24.121 570 2HD2 LEU 72 2HD2 LEU 72 5.079 27.953 -23.480 571 3HD2 LEU 72 3HD2 LEU 72 3.702 28.140 -22.373 572 H LEU 73 H LEU 73 3.460 32.478 -25.336 573 HA LEU 73 HA LEU 73 6.316 32.846 -25.570 574 1HB LEU 73 1HB LEU 73 4.184 33.578 -27.631 575 2HB LEU 73 2HB LEU 73 5.906 33.388 -27.948 576 HG LEU 73 HG LEU 73 3.931 31.153 -27.336 577 1HD1 LEU 73 1HD1 LEU 73 5.510 32.002 -29.751 578 2HD1 LEU 73 2HD1 LEU 73 4.466 30.561 -29.625 579 3HD1 LEU 73 3HD1 LEU 73 3.760 32.188 -29.484 580 1HD2 LEU 73 1HD2 LEU 73 6.915 30.901 -27.780 581 2HD2 LEU 73 2HD2 LEU 73 6.045 30.546 -26.265 582 3HD2 LEU 73 3HD2 LEU 73 5.724 29.582 -27.708 583 H THR 74 H THR 74 3.799 35.054 -25.110 584 HA THR 74 HA THR 74 5.514 37.340 -25.782 585 HB THR 74 HB THR 74 2.954 37.086 -26.329 586 HG1 THR 74 HG1 THR 74 4.330 38.660 -27.084 587 1HG2 THR 74 1HG2 THR 74 2.376 37.229 -23.840 588 2HG2 THR 74 2HG2 THR 74 3.017 38.877 -23.879 589 3HG2 THR 74 3HG2 THR 74 1.616 38.448 -24.891 590 H LYS 75 H LYS 75 4.503 35.495 -22.956 591 HA LYS 75 HA LYS 75 5.184 37.585 -21.050 592 1HB LYS 75 1HB LYS 75 4.499 34.660 -21.071 593 2HB LYS 75 2HB LYS 75 5.297 35.273 -19.638 594 1HG LYS 75 1HG LYS 75 2.841 36.674 -20.750 595 2HG LYS 75 2HG LYS 75 2.659 35.238 -19.761 596 1HD LYS 75 1HD LYS 75 4.151 37.694 -18.797 597 2HD LYS 75 2HD LYS 75 2.429 37.366 -18.515 598 1HE LYS 75 1HE LYS 75 3.041 35.208 -17.389 599 2HE LYS 75 2HE LYS 75 4.751 35.661 -17.515 600 1HZ LYS 75 1HZ LYS 75 4.226 37.632 -16.224 601 2HZ LYS 75 2HZ LYS 75 2.664 37.139 -16.057 602 3HZ LYS 75 3HZ LYS 75 3.875 36.244 -15.409 603 H LEU 76 H LEU 76 6.920 34.961 -22.654 604 HA LEU 76 HA LEU 76 9.236 34.928 -21.023 605 1HB LEU 76 1HB LEU 76 8.698 34.208 -23.913 606 2HB LEU 76 2HB LEU 76 10.302 33.991 -23.191 607 HG LEU 76 HG LEU 76 7.733 32.659 -22.137 608 1HD1 LEU 76 1HD1 LEU 76 9.749 31.610 -24.133 609 2HD1 LEU 76 2HD1 LEU 76 8.404 30.703 -23.397 610 3HD1 LEU 76 3HD1 LEU 76 8.070 32.061 -24.470 611 1HD2 LEU 76 1HD2 LEU 76 10.690 32.010 -21.778 612 2HD2 LEU 76 2HD2 LEU 76 9.627 32.704 -20.530 613 3HD2 LEU 76 3HD2 LEU 76 9.319 31.074 -21.143 614 HA PRO 77 HA PRO 77 11.371 38.377 -23.420 615 1HB PRO 77 1HB PRO 77 10.419 39.459 -25.709 616 2HB PRO 77 2HB PRO 77 11.074 37.796 -25.726 617 1HG PRO 77 1HG PRO 77 8.151 38.594 -25.375 618 2HG PRO 77 2HG PRO 77 8.831 37.511 -26.634 619 1HD PRO 77 1HD PRO 77 7.827 36.538 -24.285 620 2HD PRO 77 2HD PRO 77 9.310 35.848 -25.043 621 H THR 78 H THR 78 10.862 40.858 -24.013 622 HA THR 78 HA THR 78 8.447 41.789 -22.515 623 HB THR 78 HB THR 78 10.828 41.903 -21.426 624 HG1 THR 78 HG1 THR 78 8.920 44.000 -21.417 625 1HG2 THR 78 1HG2 THR 78 12.062 43.180 -23.073 626 2HG2 THR 78 2HG2 THR 78 10.917 44.544 -22.902 627 3HG2 THR 78 3HG2 THR 78 11.922 44.040 -21.540 628 H ILE 79 H ILE 79 10.990 42.690 -24.746 629 HA ILE 79 HA ILE 79 9.878 44.945 -25.909 630 HB ILE 79 HB ILE 79 11.541 42.888 -27.424 631 1HG1 ILE 79 1HG1 ILE 79 13.347 44.842 -26.734 632 2HG1 ILE 79 2HG1 ILE 79 12.339 44.842 -25.286 633 1HG2 ILE 79 1HG2 ILE 79 11.138 45.869 -27.866 634 2HG2 ILE 79 2HG2 ILE 79 12.281 44.838 -28.757 635 3HG2 ILE 79 3HG2 ILE 79 10.552 44.551 -28.907 636 1HD1 ILE 79 1HD1 ILE 79 12.719 42.294 -25.209 637 2HD1 ILE 79 2HD1 ILE 79 13.804 42.516 -26.587 638 3HD1 ILE 79 3HD1 ILE 79 14.171 43.296 -25.029 639 H SER 80 H SER 80 9.299 41.604 -26.842 640 HA SER 80 HA SER 80 7.766 42.024 -29.148 641 1HB SER 80 1HB SER 80 7.326 39.864 -27.054 642 2HB SER 80 2HB SER 80 6.763 39.833 -28.732 643 HG SER 80 HG SER 80 9.481 39.935 -27.896 644 H GLN 81 H GLN 81 6.744 42.102 -25.731 645 HA GLN 81 HA GLN 81 3.980 42.353 -26.180 646 1HB GLN 81 1HB GLN 81 5.499 43.550 -23.838 647 2HB GLN 81 2HB GLN 81 3.798 43.078 -23.918 648 1HG GLN 81 1HG GLN 81 4.567 40.690 -24.349 649 2HG GLN 81 2HG GLN 81 6.218 41.215 -23.990 650 1HE2 GLN 81 2HE2 GLN 81 2.997 40.656 -22.629 651 2HE2 GLN 81 1HE2 GLN 81 3.510 40.707 -20.952 652 H ARG 82 H ARG 82 6.582 44.703 -26.143 653 HA ARG 82 HA ARG 82 4.951 47.059 -26.139 654 1HB ARG 82 1HB ARG 82 7.783 46.838 -27.218 655 2HB ARG 82 2HB ARG 82 6.911 48.283 -26.713 656 1HG ARG 82 1HG ARG 82 6.759 47.290 -24.371 657 2HG ARG 82 2HG ARG 82 7.802 45.973 -24.931 658 1HD ARG 82 1HD ARG 82 9.215 47.563 -23.857 659 2HD ARG 82 2HD ARG 82 9.520 47.679 -25.603 660 HE ARG 82 HE ARG 82 7.476 49.532 -24.779 661 1HH1 ARG 82 1HH1 ARG 82 10.985 49.075 -24.666 662 2HH1 ARG 82 2HH1 ARG 82 11.343 50.774 -24.534 663 1HH2 ARG 82 1HH2 ARG 82 7.936 51.769 -24.590 664 2HH2 ARG 82 2HH2 ARG 82 9.581 52.326 -24.477 665 H ILE 83 H ILE 83 6.326 45.075 -28.837 666 HA ILE 83 HA ILE 83 5.594 46.932 -30.869 667 HB ILE 83 HB ILE 83 5.630 43.883 -31.235 668 1HG1 ILE 83 1HG1 ILE 83 7.526 44.120 -30.147 669 2HG1 ILE 83 2HG1 ILE 83 7.917 44.042 -31.880 670 1HG2 ILE 83 1HG2 ILE 83 4.806 45.178 -33.184 671 2HG2 ILE 83 2HG2 ILE 83 6.320 46.108 -33.196 672 3HG2 ILE 83 3HG2 ILE 83 6.331 44.363 -33.515 673 1HD1 ILE 83 1HD1 ILE 83 8.324 46.503 -31.837 674 2HD1 ILE 83 2HD1 ILE 83 8.059 46.483 -30.069 675 3HD1 ILE 83 3HD1 ILE 83 9.406 45.574 -30.772 676 H VAL 84 H VAL 84 4.022 44.046 -29.527 677 HA VAL 84 HA VAL 84 1.626 44.322 -31.069 678 HB VAL 84 HB VAL 84 1.950 43.045 -28.313 679 1HG1 VAL 84 1HG1 VAL 84 -0.255 42.707 -30.386 680 2HG1 VAL 84 2HG1 VAL 84 -0.064 41.712 -28.927 681 3HG1 VAL 84 3HG1 VAL 84 -0.422 43.434 -28.772 682 1HG2 VAL 84 1HG2 VAL 84 3.429 41.985 -30.041 683 2HG2 VAL 84 2HG2 VAL 84 2.141 40.900 -29.514 684 3HG2 VAL 84 3HG2 VAL 84 2.011 41.737 -31.073 685 H SER 85 H SER 85 2.480 45.653 -27.934 686 HA SER 85 HA SER 85 -0.034 47.099 -27.806 687 1HB SER 85 1HB SER 85 2.364 47.312 -25.948 688 2HB SER 85 2HB SER 85 0.703 47.845 -25.620 689 HG SER 85 HG SER 85 1.666 45.202 -25.951 690 H ALA 86 H ALA 86 1.648 47.714 -30.062 691 HA ALA 86 HA ALA 86 2.818 50.333 -29.574 692 1HB ALA 86 1HB ALA 86 2.348 48.835 -32.166 693 2HB ALA 86 2HB ALA 86 3.252 50.353 -31.985 694 3HB ALA 86 3HB ALA 86 3.853 48.893 -31.203 695 H GLN 87 H GLN 87 0.420 50.710 -28.603 696 HA GLN 87 HA GLN 87 -1.549 51.501 -30.558 697 1HB GLN 87 1HB GLN 87 -2.156 50.529 -28.362 698 2HB GLN 87 2HB GLN 87 -1.570 51.990 -27.559 699 1HG GLN 87 1HG GLN 87 -4.010 51.993 -27.827 700 2HG GLN 87 2HG GLN 87 -3.293 53.342 -28.704 701 1HE2 GLN 87 2HE2 GLN 87 -4.624 50.020 -29.102 702 2HE2 GLN 87 1HE2 GLN 87 -5.141 50.263 -30.760 703 H SER 88 H SER 88 0.179 52.893 -31.616 704 HA SER 88 HA SER 88 -0.354 55.523 -31.798 705 1HB SER 88 1HB SER 88 1.652 56.610 -30.625 706 2HB SER 88 2HB SER 88 0.277 56.208 -29.601 707 HG SER 88 HG SER 88 1.360 54.465 -28.818 708 H LEU 89 H LEU 89 2.462 53.411 -31.307 709 HA LEU 89 HA LEU 89 3.764 54.362 -33.793 710 1HB LEU 89 1HB LEU 89 4.666 52.398 -31.641 711 2HB LEU 89 2HB LEU 89 5.680 53.004 -32.954 712 HG LEU 89 HG LEU 89 4.504 54.770 -30.750 713 1HD1 LEU 89 1HD1 LEU 89 6.063 53.110 -29.828 714 2HD1 LEU 89 2HD1 LEU 89 7.285 53.570 -31.032 715 3HD1 LEU 89 3HD1 LEU 89 6.766 54.735 -29.794 716 1HD2 LEU 89 1HD2 LEU 89 6.678 55.297 -32.831 717 2HD2 LEU 89 2HD2 LEU 89 5.059 56.034 -32.807 718 3HD2 LEU 89 3HD2 LEU 89 6.212 56.391 -31.515 719 H GLY 90 H GLY 90 1.331 53.049 -34.054 720 1HA GLY 90 1HA GLY 90 2.099 50.780 -35.799 721 2HA GLY 90 2HA GLY 90 0.946 50.454 -34.489 722 H GLU 91 H GLU 91 1.520 53.109 -36.853 723 HA GLU 91 HA GLU 91 -1.102 52.725 -38.065 724 1HB GLU 91 1HB GLU 91 -1.462 54.264 -36.137 725 2HB GLU 91 2HB GLU 91 -0.275 55.389 -36.832 726 1HG GLU 91 1HG GLU 91 -1.715 55.747 -38.779 727 2HG GLU 91 2HG GLU 91 -2.817 54.464 -38.243 728 H ASP 92 H ASP 92 -0.935 53.414 -40.302 729 HA ASP 92 HA ASP 92 0.037 53.744 -42.255 730 1HB ASP 92 1HB ASP 92 1.392 56.008 -40.745 731 2HB ASP 92 2HB ASP 92 1.374 55.843 -42.506 732 H ASP 93 H ASP 93 2.344 54.239 -43.393 733 HA ASP 93 HA ASP 93 4.638 53.073 -42.206 734 1HB ASP 93 1HB ASP 93 3.365 50.946 -42.505 735 2HB ASP 93 2HB ASP 93 3.095 51.348 -44.208 736 H VAL 94 H VAL 94 6.348 52.828 -43.955 737 HA VAL 94 HA VAL 94 7.652 54.076 -45.317 738 HB VAL 94 HB VAL 94 6.968 52.102 -46.476 739 1HG1 VAL 94 1HG1 VAL 94 4.764 53.709 -47.828 740 2HG1 VAL 94 2HG1 VAL 94 5.310 52.090 -48.283 741 3HG1 VAL 94 3HG1 VAL 94 4.565 52.350 -46.706 742 1HG2 VAL 94 1HG2 VAL 94 8.574 53.679 -47.526 743 2HG2 VAL 94 2HG2 VAL 94 7.701 52.650 -48.675 744 3HG2 VAL 94 3HG2 VAL 94 7.248 54.351 -48.499 745 H GLU 95 H GLU 95 6.695 56.027 -44.060 746 HA GLU 95 HA GLU 95 6.317 58.160 -46.008 747 1HB GLU 95 1HB GLU 95 3.980 57.297 -45.373 748 2HB GLU 95 2HB GLU 95 4.358 57.745 -43.706 749 1HG GLU 95 1HG GLU 95 3.085 59.534 -44.625 750 2HG GLU 95 2HG GLU 95 4.750 60.128 -44.559 751 1H GLY 1 1H GLY 1 -12.206 22.876 -21.839 752 2H GLY 1 2H GLY 1 -13.799 23.044 -22.262 753 3H GLY 1 3H GLY 1 -13.046 24.188 -21.338 754 1HA GLY 1 1HA GLY 1 -14.414 22.912 -19.928 755 2HA GLY 1 2HA GLY 1 -13.643 21.431 -20.541 756 HA PRO 2 HA PRO 2 -11.054 23.355 -17.039 757 1HB PRO 2 1HB PRO 2 -12.016 22.328 -14.723 758 2HB PRO 2 2HB PRO 2 -12.838 23.672 -15.554 759 1HG PRO 2 1HG PRO 2 -13.492 20.712 -15.787 760 2HG PRO 2 2HG PRO 2 -14.608 22.041 -15.359 761 1HD PRO 2 1HD PRO 2 -14.362 21.121 -17.930 762 2HD PRO 2 2HD PRO 2 -14.640 22.852 -17.574 763 H ARG 3 H ARG 3 -10.198 21.533 -18.784 764 HA ARG 3 HA ARG 3 -8.311 19.988 -17.454 765 1HB ARG 3 1HB ARG 3 -9.064 17.683 -18.012 766 2HB ARG 3 2HB ARG 3 -10.028 18.415 -16.743 767 1HG ARG 3 1HG ARG 3 -11.803 18.961 -18.427 768 2HG ARG 3 2HG ARG 3 -10.822 18.178 -19.688 769 1HD ARG 3 1HD ARG 3 -10.881 16.059 -18.394 770 2HD ARG 3 2HD ARG 3 -11.860 16.863 -17.144 771 HE ARG 3 HE ARG 3 -13.096 17.144 -19.715 772 1HH1 ARG 3 1HH1 ARG 3 -12.496 14.735 -17.196 773 2HH1 ARG 3 2HH1 ARG 3 -13.918 13.793 -17.549 774 1HH2 ARG 3 1HH2 ARG 3 -14.988 15.920 -20.187 775 2HH2 ARG 3 2HH2 ARG 3 -15.351 14.479 -19.280 776 H LEU 4 H LEU 4 -7.141 18.592 -19.000 777 HA LEU 4 HA LEU 4 -7.573 18.875 -21.860 778 1HB LEU 4 1HB LEU 4 -6.687 21.044 -21.366 779 2HB LEU 4 2HB LEU 4 -5.373 20.391 -20.396 780 HG LEU 4 HG LEU 4 -5.137 21.321 -22.913 781 1HD1 LEU 4 1HD1 LEU 4 -3.278 20.670 -21.378 782 2HD1 LEU 4 2HD1 LEU 4 -3.478 18.990 -21.983 783 3HD1 LEU 4 3HD1 LEU 4 -2.978 20.268 -23.072 784 1HD2 LEU 4 1HD2 LEU 4 -6.494 19.560 -23.981 785 2HD2 LEU 4 2HD2 LEU 4 -4.795 19.611 -24.512 786 3HD2 LEU 4 3HD2 LEU 4 -5.324 18.333 -23.413 787 H SER 5 H SER 5 -7.537 16.609 -21.834 788 HA SER 5 HA SER 5 -4.902 15.376 -21.562 789 1HB SER 5 1HB SER 5 -5.761 13.653 -19.899 790 2HB SER 5 2HB SER 5 -5.471 15.279 -19.278 791 HG SER 5 HG SER 5 -7.445 14.812 -18.535 792 H ARG 6 H ARG 6 -7.103 15.831 -23.612 793 HA ARG 6 HA ARG 6 -8.166 13.252 -24.243 794 1HB ARG 6 1HB ARG 6 -9.084 15.434 -25.065 795 2HB ARG 6 2HB ARG 6 -7.638 15.659 -26.047 796 1HG ARG 6 1HG ARG 6 -9.365 14.864 -27.473 797 2HG ARG 6 2HG ARG 6 -8.215 13.532 -27.293 798 1HD ARG 6 1HD ARG 6 -9.713 12.443 -25.656 799 2HD ARG 6 2HD ARG 6 -10.803 13.851 -25.707 800 HE ARG 6 HE ARG 6 -10.439 12.804 -28.336 801 1HH1 ARG 6 1HH1 ARG 6 -12.028 12.015 -25.273 802 2HH1 ARG 6 2HH1 ARG 6 -13.311 11.095 -26.009 803 1HH2 ARG 6 1HH2 ARG 6 -12.125 11.578 -29.318 804 2HH2 ARG 6 2HH2 ARG 6 -13.352 10.833 -28.337 805 H LEU 7 H LEU 7 -5.527 15.172 -25.773 806 HA LEU 7 HA LEU 7 -4.399 13.016 -27.276 807 1HB LEU 7 1HB LEU 7 -2.543 14.354 -27.662 808 2HB LEU 7 2HB LEU 7 -4.002 15.311 -27.847 809 HG LEU 7 HG LEU 7 -2.387 16.687 -27.013 810 1HD1 LEU 7 1HD1 LEU 7 -4.414 17.180 -26.062 811 2HD1 LEU 7 2HD1 LEU 7 -4.124 16.214 -24.632 812 3HD1 LEU 7 3HD1 LEU 7 -3.096 17.631 -24.966 813 1HD2 LEU 7 1HD2 LEU 7 -0.719 15.091 -26.103 814 2HD2 LEU 7 2HD2 LEU 7 -1.017 16.430 -24.975 815 3HD2 LEU 7 3HD2 LEU 7 -1.710 14.879 -24.709 816 H LEU 8 H LEU 8 -3.736 14.038 -23.932 817 HA LEU 8 HA LEU 8 -1.413 12.467 -23.703 818 1HB LEU 8 1HB LEU 8 -3.268 13.433 -21.619 819 2HB LEU 8 2HB LEU 8 -1.750 12.564 -21.278 820 HG LEU 8 HG LEU 8 -1.198 14.763 -20.896 821 1HD1 LEU 8 1HD1 LEU 8 0.574 13.779 -22.074 822 2HD1 LEU 8 2HD1 LEU 8 -0.048 14.302 -23.636 823 3HD1 LEU 8 3HD1 LEU 8 0.444 15.500 -22.452 824 1HD2 LEU 8 1HD2 LEU 8 -3.009 15.502 -23.076 825 2HD2 LEU 8 2HD2 LEU 8 -2.791 16.194 -21.512 826 3HD2 LEU 8 3HD2 LEU 8 -1.627 16.551 -22.800 827 H SER 9 H SER 9 -4.630 11.299 -23.982 828 HA SER 9 HA SER 9 -4.375 8.878 -22.489 829 1HB SER 9 1HB SER 9 -6.497 9.833 -23.422 830 2HB SER 9 2HB SER 9 -5.931 9.436 -25.056 831 HG SER 9 HG SER 9 -6.225 7.536 -22.965 832 H TYR 10 H TYR 10 -2.829 10.013 -25.383 833 HA TYR 10 HA TYR 10 -2.331 7.591 -26.762 834 1HB TYR 10 1HB TYR 10 -0.925 8.930 -28.119 835 2HB TYR 10 2HB TYR 10 -2.355 9.870 -27.730 836 HD1 TYR 10 HD1 TYR 10 -0.583 10.387 -24.744 837 HD2 TYR 10 HD2 TYR 10 -0.257 11.261 -28.966 838 HE1 TYR 10 HE1 TYR 10 0.845 12.220 -24.215 839 HE2 TYR 10 HE2 TYR 10 1.205 13.148 -28.411 840 HH TYR 10 HH TYR 10 2.121 13.990 -25.053 841 H ALA 11 H ALA 11 -0.979 8.543 -23.772 842 HA ALA 11 HA ALA 11 1.306 6.696 -24.085 843 1HB ALA 11 1HB ALA 11 1.561 9.666 -23.384 844 2HB ALA 11 2HB ALA 11 2.879 8.478 -23.318 845 3HB ALA 11 3HB ALA 11 2.143 8.911 -24.876 Start of MODEL 16 1 1H ARG 1 1H ARG 1 8.663 4.608 -6.604 2 2H ARG 1 2H ARG 1 9.769 3.512 -7.154 3 3H ARG 1 3H ARG 1 8.596 4.060 -8.146 4 HA ARG 1 HA ARG 1 8.033 1.878 -7.467 5 1HB ARG 1 1HB ARG 1 8.409 2.982 -4.659 6 2HB ARG 1 2HB ARG 1 7.544 1.471 -5.018 7 1HG ARG 1 1HG ARG 1 9.588 0.551 -6.077 8 2HG ARG 1 2HG ARG 1 10.475 2.025 -5.614 9 1HD ARG 1 1HD ARG 1 9.882 1.612 -3.229 10 2HD ARG 1 2HD ARG 1 9.019 0.131 -3.708 11 HE ARG 1 HE ARG 1 11.674 -0.017 -4.689 12 1HH1 ARG 1 1HH1 ARG 1 9.929 -0.076 -1.603 13 2HH1 ARG 1 2HH1 ARG 1 11.133 -1.027 -0.777 14 1HH2 ARG 1 1HH2 ARG 1 13.265 -1.276 -3.599 15 2HH2 ARG 1 2HH2 ARG 1 13.047 -1.716 -1.928 16 H ALA 2 H ALA 2 6.421 3.391 -4.769 17 HA ALA 2 HA ALA 2 3.883 3.460 -6.266 18 1HB ALA 2 1HB ALA 2 4.083 2.207 -4.132 19 2HB ALA 2 2HB ALA 2 4.530 3.711 -3.298 20 3HB ALA 2 3HB ALA 2 2.910 3.532 -4.008 21 H GLY 3 H GLY 3 2.365 5.276 -5.332 22 1HA GLY 3 1HA GLY 3 3.442 7.815 -6.193 23 2HA GLY 3 2HA GLY 3 1.821 7.493 -5.549 24 H LEU 4 H LEU 4 3.241 9.804 -4.879 25 HA LEU 4 HA LEU 4 3.317 9.550 -1.985 26 1HB LEU 4 1HB LEU 4 5.593 9.002 -2.687 27 2HB LEU 4 2HB LEU 4 5.720 10.505 -3.578 28 HG LEU 4 HG LEU 4 5.613 10.301 -0.488 29 1HD1 LEU 4 1HD1 LEU 4 7.866 10.719 -2.445 30 2HD1 LEU 4 2HD1 LEU 4 7.960 10.749 -0.664 31 3HD1 LEU 4 3HD1 LEU 4 7.539 9.243 -1.503 32 1HD2 LEU 4 1HD2 LEU 4 6.189 12.631 -2.368 33 2HD2 LEU 4 2HD2 LEU 4 4.804 12.518 -1.244 34 3HD2 LEU 4 3HD2 LEU 4 6.446 12.627 -0.613 35 H SER 5 H SER 5 4.276 11.996 -4.533 36 HA SER 5 HA SER 5 1.899 13.418 -4.232 37 1HB SER 5 1HB SER 5 2.570 15.441 -3.112 38 2HB SER 5 2HB SER 5 2.932 14.107 -2.030 39 HG SER 5 HG SER 5 5.108 14.237 -2.718 40 H LYS 6 H LYS 6 3.831 15.945 -4.744 41 HA LYS 6 HA LYS 6 3.810 15.623 -7.683 42 1HB LYS 6 1HB LYS 6 4.351 18.060 -5.906 43 2HB LYS 6 2HB LYS 6 4.098 18.067 -7.649 44 1HG LYS 6 1HG LYS 6 1.690 17.337 -7.242 45 2HG LYS 6 2HG LYS 6 2.006 17.356 -5.511 46 1HD LYS 6 1HD LYS 6 0.865 19.365 -6.173 47 2HD LYS 6 2HD LYS 6 2.465 19.717 -5.506 48 1HE LYS 6 1HE LYS 6 1.916 21.139 -7.445 49 2HE LYS 6 2HE LYS 6 3.354 20.166 -7.755 50 1HZ LYS 6 1HZ LYS 6 0.623 19.551 -8.678 51 2HZ LYS 6 2HZ LYS 6 1.831 20.169 -9.624 52 3HZ LYS 6 3HZ LYS 6 1.932 18.643 -9.001 53 H LEU 7 H LEU 7 5.837 15.552 -8.861 54 HA LEU 7 HA LEU 7 7.984 14.913 -9.055 55 1HB LEU 7 1HB LEU 7 8.407 17.508 -7.513 56 2HB LEU 7 2HB LEU 7 9.573 16.740 -8.598 57 HG LEU 7 HG LEU 7 6.886 17.908 -9.415 58 1HD1 LEU 7 1HD1 LEU 7 8.530 19.601 -8.716 59 2HD1 LEU 7 2HD1 LEU 7 9.717 18.926 -9.853 60 3HD1 LEU 7 3HD1 LEU 7 8.227 19.679 -10.461 61 1HD2 LEU 7 1HD2 LEU 7 9.147 16.755 -11.128 62 2HD2 LEU 7 2HD2 LEU 7 7.505 16.086 -10.977 63 3HD2 LEU 7 3HD2 LEU 7 7.760 17.652 -11.740 64 HA PRO 8 HA PRO 8 8.588 13.319 -4.764 65 1HB PRO 8 1HB PRO 8 7.667 10.781 -4.973 66 2HB PRO 8 2HB PRO 8 6.584 12.188 -4.833 67 1HG PRO 8 1HG PRO 8 7.332 10.776 -7.413 68 2HG PRO 8 2HG PRO 8 5.707 11.173 -6.803 69 1HD PRO 8 1HD PRO 8 7.085 12.825 -8.550 70 2HD PRO 8 2HD PRO 8 5.943 13.407 -7.320 71 H ASP 9 H ASP 9 8.960 10.349 -6.497 72 HA ASP 9 HA ASP 9 11.774 10.195 -6.066 73 1HB ASP 9 1HB ASP 9 10.623 8.124 -6.187 74 2HB ASP 9 2HB ASP 9 9.802 8.562 -7.699 75 H LEU 10 H LEU 10 9.857 11.049 -8.948 76 HA LEU 10 HA LEU 10 10.254 12.064 -10.821 77 1HB LEU 10 1HB LEU 10 12.027 13.275 -8.874 78 2HB LEU 10 2HB LEU 10 12.965 13.117 -10.350 79 HG LEU 10 HG LEU 10 10.353 14.742 -10.022 80 1HD1 LEU 10 1HD1 LEU 10 13.271 15.418 -10.119 81 2HD1 LEU 10 2HD1 LEU 10 11.894 16.566 -10.125 82 3HD1 LEU 10 3HD1 LEU 10 12.169 15.510 -8.720 83 1HD2 LEU 10 1HD2 LEU 10 12.372 14.446 -12.330 84 2HD2 LEU 10 2HD2 LEU 10 10.703 13.861 -12.361 85 3HD2 LEU 10 3HD2 LEU 10 11.022 15.599 -12.273 86 H LYS 11 H LYS 11 12.597 9.756 -9.906 87 HA LYS 11 HA LYS 11 13.872 9.594 -12.545 88 1HB LYS 11 1HB LYS 11 13.892 7.721 -10.143 89 2HB LYS 11 2HB LYS 11 14.566 7.301 -11.704 90 1HG LYS 11 1HG LYS 11 16.360 7.984 -10.431 91 2HG LYS 11 2HG LYS 11 16.107 9.274 -11.605 92 1HD LYS 11 1HD LYS 11 14.768 9.521 -8.917 93 2HD LYS 11 2HD LYS 11 16.527 9.647 -8.935 94 1HE LYS 11 1HE LYS 11 16.539 11.516 -10.425 95 2HE LYS 11 2HE LYS 11 14.815 11.358 -10.777 96 1HZ LYS 11 1HZ LYS 11 15.940 12.051 -8.153 97 2HZ LYS 11 2HZ LYS 11 15.220 13.097 -9.208 98 3HZ LYS 11 3HZ LYS 11 14.342 11.885 -8.514 99 H ASP 12 H ASP 12 11.074 8.135 -10.910 100 HA ASP 12 HA ASP 12 10.642 6.148 -13.010 101 1HB ASP 12 1HB ASP 12 8.833 7.186 -10.797 102 2HB ASP 12 2HB ASP 12 8.393 5.906 -11.943 103 H ALA 13 H ALA 13 9.315 6.263 -14.650 104 HA ALA 13 HA ALA 13 8.736 8.784 -15.876 105 1HB ALA 13 1HB ALA 13 9.373 6.784 -17.164 106 2HB ALA 13 2HB ALA 13 7.883 5.960 -16.652 107 3HB ALA 13 3HB ALA 13 7.793 7.398 -17.696 108 H GLU 14 H GLU 14 6.693 6.316 -14.441 109 HA GLU 14 HA GLU 14 4.167 7.466 -14.988 110 1HB GLU 14 1HB GLU 14 5.050 5.734 -12.638 111 2HB GLU 14 2HB GLU 14 3.373 6.065 -13.104 112 1HG GLU 14 1HG GLU 14 3.724 5.000 -15.293 113 2HG GLU 14 2HG GLU 14 5.433 4.715 -14.922 114 H ALA 15 H ALA 15 6.508 8.111 -12.427 115 HA ALA 15 HA ALA 15 4.787 9.781 -10.794 116 1HB ALA 15 1HB ALA 15 6.800 8.648 -9.876 117 2HB ALA 15 2HB ALA 15 7.834 9.652 -10.927 118 3HB ALA 15 3HB ALA 15 6.861 10.411 -9.660 119 H VAL 16 H VAL 16 6.621 10.211 -13.686 120 HA VAL 16 HA VAL 16 6.683 13.175 -13.475 121 HB VAL 16 HB VAL 16 8.245 11.159 -14.870 122 1HG1 VAL 16 1HG1 VAL 16 7.480 13.526 -16.556 123 2HG1 VAL 16 2HG1 VAL 16 8.780 12.347 -16.867 124 3HG1 VAL 16 3HG1 VAL 16 7.098 11.811 -16.894 125 1HG2 VAL 16 1HG2 VAL 16 9.128 12.507 -13.237 126 2HG2 VAL 16 2HG2 VAL 16 9.969 12.662 -14.792 127 3HG2 VAL 16 3HG2 VAL 16 8.868 13.964 -14.253 128 H GLN 17 H GLN 17 5.052 10.488 -15.162 129 HA GLN 17 HA GLN 17 3.636 12.198 -16.977 130 1HB GLN 17 1HB GLN 17 3.798 9.812 -17.455 131 2HB GLN 17 2HB GLN 17 2.821 9.440 -16.017 132 1HG GLN 17 1HG GLN 17 1.477 9.342 -18.056 133 2HG GLN 17 2HG GLN 17 0.892 10.601 -16.979 134 1HE2 GLN 17 2HE2 GLN 17 2.554 9.921 -20.042 135 2HE2 GLN 17 1HE2 GLN 17 2.390 11.541 -20.703 136 H LYS 18 H LYS 18 2.766 10.735 -13.796 137 HA LYS 18 HA LYS 18 0.174 11.788 -13.680 138 1HB LYS 18 1HB LYS 18 0.102 11.288 -11.393 139 2HB LYS 18 2HB LYS 18 1.143 10.087 -12.149 140 1HG LYS 18 1HG LYS 18 2.354 10.514 -10.262 141 2HG LYS 18 2HG LYS 18 3.091 11.653 -11.365 142 1HD LYS 18 1HD LYS 18 2.755 13.004 -9.468 143 2HD LYS 18 2HD LYS 18 1.285 13.363 -10.363 144 1HE LYS 18 1HE LYS 18 0.528 13.013 -8.208 145 2HE LYS 18 2HE LYS 18 0.140 11.495 -9.029 146 1HZ LYS 18 1HZ LYS 18 2.189 10.603 -8.048 147 2HZ LYS 18 2HZ LYS 18 2.438 12.044 -7.270 148 3HZ LYS 18 3HZ LYS 18 1.124 11.122 -6.900 149 H PHE 19 H PHE 19 3.193 13.310 -12.550 150 HA PHE 19 HA PHE 19 1.929 15.719 -11.640 151 1HB PHE 19 1HB PHE 19 4.026 15.226 -10.677 152 2HB PHE 19 2HB PHE 19 4.772 14.853 -12.231 153 HD1 PHE 19 HD1 PHE 19 5.314 16.603 -13.870 154 HD2 PHE 19 HD2 PHE 19 4.005 17.577 -9.886 155 HE1 PHE 19 HE1 PHE 19 6.128 18.923 -14.149 156 HE2 PHE 19 HE2 PHE 19 4.864 19.884 -10.175 157 HZ PHE 19 HZ PHE 19 5.955 20.525 -12.438 158 H PHE 20 H PHE 20 3.599 14.866 -14.680 159 HA PHE 20 HA PHE 20 3.630 17.407 -15.850 160 1HB PHE 20 1HB PHE 20 4.847 15.566 -16.764 161 2HB PHE 20 2HB PHE 20 3.368 14.667 -17.139 162 HD1 PHE 20 HD1 PHE 20 4.621 18.162 -17.843 163 HD2 PHE 20 HD2 PHE 20 3.216 14.399 -19.432 164 HE1 PHE 20 HE1 PHE 20 4.825 19.045 -20.147 165 HE2 PHE 20 HE2 PHE 20 3.432 15.302 -21.731 166 HZ PHE 20 HZ PHE 20 4.254 17.608 -22.084 167 H LEU 21 H LEU 21 1.154 14.774 -16.114 168 HA LEU 21 HA LEU 21 -0.771 16.395 -17.475 169 1HB LEU 21 1HB LEU 21 -0.627 13.650 -16.276 170 2HB LEU 21 2HB LEU 21 -2.208 14.368 -16.122 171 HG LEU 21 HG LEU 21 -0.855 14.050 -18.853 172 1HD1 LEU 21 1HD1 LEU 21 -2.808 12.265 -17.347 173 2HD1 LEU 21 2HD1 LEU 21 -2.317 12.067 -19.042 174 3HD1 LEU 21 3HD1 LEU 21 -1.126 11.884 -17.750 175 1HD2 LEU 21 1HD2 LEU 21 -3.679 14.760 -17.961 176 2HD2 LEU 21 2HD2 LEU 21 -2.528 15.787 -18.842 177 3HD2 LEU 21 3HD2 LEU 21 -3.207 14.361 -19.611 178 H GLU 22 H GLU 22 -0.155 15.870 -14.014 179 HA GLU 22 HA GLU 22 -2.585 17.067 -13.115 180 1HB GLU 22 1HB GLU 22 -0.923 15.911 -11.601 181 2HB GLU 22 2HB GLU 22 0.163 17.296 -11.827 182 1HG GLU 22 1HG GLU 22 -1.736 18.751 -10.878 183 2HG GLU 22 2HG GLU 22 -2.504 17.236 -10.399 184 H GLU 23 H GLU 23 0.461 18.438 -14.350 185 HA GLU 23 HA GLU 23 -0.192 21.139 -13.571 186 1HB GLU 23 1HB GLU 23 2.117 20.208 -13.635 187 2HB GLU 23 2HB GLU 23 2.076 20.310 -15.406 188 1HG GLU 23 1HG GLU 23 1.847 22.665 -15.347 189 2HG GLU 23 2HG GLU 23 1.313 22.691 -13.662 190 H ILE 24 H ILE 24 -0.087 19.288 -16.579 191 HA ILE 24 HA ILE 24 -0.960 21.249 -18.459 192 HB ILE 24 HB ILE 24 -1.309 18.238 -18.185 193 1HG1 ILE 24 1HG1 ILE 24 0.497 19.894 -19.807 194 2HG1 ILE 24 2HG1 ILE 24 0.662 18.237 -19.231 195 1HG2 ILE 24 1HG2 ILE 24 -3.464 18.705 -19.106 196 2HG2 ILE 24 2HG2 ILE 24 -2.646 19.341 -20.557 197 3HG2 ILE 24 3HG2 ILE 24 -2.439 17.679 -20.033 198 1HD1 ILE 24 1HD1 ILE 24 -0.873 19.048 -21.761 199 2HD1 ILE 24 2HD1 ILE 24 0.715 18.322 -21.649 200 3HD1 ILE 24 3HD1 ILE 24 -0.661 17.404 -21.119 201 H GLN 25 H GLN 25 -2.900 19.020 -16.440 202 HA GLN 25 HA GLN 25 -5.421 20.293 -17.054 203 1HB GLN 25 1HB GLN 25 -4.535 18.505 -14.731 204 2HB GLN 25 2HB GLN 25 -6.208 18.939 -15.051 205 1HG GLN 25 1HG GLN 25 -6.212 17.626 -17.140 206 2HG GLN 25 2HG GLN 25 -4.491 17.275 -16.974 207 1HE2 GLN 25 2HE2 GLN 25 -3.758 15.914 -15.305 208 2HE2 GLN 25 1HE2 GLN 25 -4.846 14.786 -14.509 209 H LEU 26 H LEU 26 -3.370 20.608 -14.230 210 HA LEU 26 HA LEU 26 -5.072 22.300 -12.734 211 1HB LEU 26 1HB LEU 26 -3.234 21.274 -11.689 212 2HB LEU 26 2HB LEU 26 -2.057 22.082 -12.758 213 HG LEU 26 HG LEU 26 -1.892 22.839 -10.546 214 1HD1 LEU 26 1HD1 LEU 26 -1.607 24.516 -12.437 215 2HD1 LEU 26 2HD1 LEU 26 -3.195 25.169 -11.952 216 3HD1 LEU 26 3HD1 LEU 26 -1.867 25.152 -10.798 217 1HD2 LEU 26 1HD2 LEU 26 -4.118 22.296 -9.796 218 2HD2 LEU 26 2HD2 LEU 26 -3.681 23.969 -9.373 219 3HD2 LEU 26 3HD2 LEU 26 -4.791 23.658 -10.737 220 H GLY 27 H GLY 27 -2.590 23.178 -15.186 221 1HA GLY 27 1HA GLY 27 -2.997 26.023 -15.071 222 2HA GLY 27 2HA GLY 27 -2.360 25.127 -16.472 223 H GLU 28 H GLU 28 -4.248 23.668 -17.562 224 HA GLU 28 HA GLU 28 -6.061 25.335 -18.816 225 1HB GLU 28 1HB GLU 28 -6.312 22.434 -18.031 226 2HB GLU 28 2HB GLU 28 -7.422 23.212 -19.172 227 1HG GLU 28 1HG GLU 28 -5.883 23.382 -20.854 228 2HG GLU 28 2HG GLU 28 -4.517 23.624 -19.765 229 H GLU 29 H GLU 29 -6.554 23.684 -15.774 230 HA GLU 29 HA GLU 29 -9.303 24.453 -15.385 231 1HB GLU 29 1HB GLU 29 -8.406 22.477 -14.408 232 2HB GLU 29 2HB GLU 29 -7.267 23.390 -13.399 233 1HG GLU 29 1HG GLU 29 -8.885 24.075 -11.931 234 2HG GLU 29 2HG GLU 29 -10.181 24.039 -13.142 235 H LEU 30 H LEU 30 -6.183 25.884 -14.240 236 HA LEU 30 HA LEU 30 -7.530 27.954 -12.732 237 1HB LEU 30 1HB LEU 30 -4.717 27.504 -13.829 238 2HB LEU 30 2HB LEU 30 -5.164 29.124 -13.342 239 HG LEU 30 HG LEU 30 -5.125 26.725 -11.463 240 1HD1 LEU 30 1HD1 LEU 30 -2.904 27.501 -12.261 241 2HD1 LEU 30 2HD1 LEU 30 -3.298 29.142 -11.708 242 3HD1 LEU 30 3HD1 LEU 30 -3.158 27.815 -10.535 243 1HD2 LEU 30 1HD2 LEU 30 -5.641 29.725 -10.996 244 2HD2 LEU 30 2HD2 LEU 30 -6.801 28.415 -10.690 245 3HD2 LEU 30 3HD2 LEU 30 -5.340 28.545 -9.711 246 H LEU 31 H LEU 31 -6.488 27.634 -16.089 247 HA LEU 31 HA LEU 31 -7.264 30.360 -16.838 248 1HB LEU 31 1HB LEU 31 -6.889 27.786 -18.388 249 2HB LEU 31 2HB LEU 31 -7.228 29.339 -19.148 250 HG LEU 31 HG LEU 31 -5.171 30.193 -18.792 251 1HD1 LEU 31 1HD1 LEU 31 -5.178 30.105 -16.244 252 2HD1 LEU 31 2HD1 LEU 31 -4.366 28.540 -16.388 253 3HD1 LEU 31 3HD1 LEU 31 -3.664 29.985 -17.074 254 1HD2 LEU 31 1HD2 LEU 31 -4.735 27.202 -18.499 255 2HD2 LEU 31 2HD2 LEU 31 -4.916 28.106 -20.021 256 3HD2 LEU 31 3HD2 LEU 31 -3.473 28.320 -18.986 257 H ALA 32 H ALA 32 -8.944 27.333 -16.421 258 HA ALA 32 HA ALA 32 -11.389 28.144 -17.626 259 1HB ALA 32 1HB ALA 32 -10.766 25.782 -16.727 260 2HB ALA 32 2HB ALA 32 -11.332 26.387 -15.150 261 3HB ALA 32 3HB ALA 32 -12.441 26.345 -16.506 262 H GLN 33 H GLN 33 -9.769 29.173 -14.738 263 HA GLN 33 HA GLN 33 -12.151 30.479 -13.605 264 1HB GLN 33 1HB GLN 33 -9.898 29.262 -12.473 265 2HB GLN 33 2HB GLN 33 -9.495 30.979 -12.369 266 1HG GLN 33 1HG GLN 33 -12.075 29.660 -11.414 267 2HG GLN 33 2HG GLN 33 -10.693 30.049 -10.382 268 1HE2 GLN 33 2HE2 GLN 33 -9.929 32.502 -10.675 269 2HE2 GLN 33 1HE2 GLN 33 -11.236 33.669 -10.629 270 H GLY 34 H GLY 34 -9.126 31.018 -15.235 271 1HA GLY 34 1HA GLY 34 -9.202 32.770 -17.009 272 2HA GLY 34 2HA GLY 34 -9.731 33.900 -15.762 273 H ASP 35 H ASP 35 -7.348 31.640 -14.578 274 HA ASP 35 HA ASP 35 -5.510 33.930 -14.412 275 1HB ASP 35 1HB ASP 35 -6.110 32.317 -12.519 276 2HB ASP 35 2HB ASP 35 -4.898 31.246 -13.231 277 H TYR 36 H TYR 36 -5.482 33.603 -16.938 278 HA TYR 36 HA TYR 36 -3.676 31.902 -18.381 279 1HB TYR 36 1HB TYR 36 -4.507 34.800 -18.724 280 2HB TYR 36 2HB TYR 36 -3.575 33.835 -19.866 281 HD1 TYR 36 HD1 TYR 36 -6.586 32.331 -18.191 282 HD2 TYR 36 HD2 TYR 36 -4.923 34.213 -21.714 283 HE1 TYR 36 HE1 TYR 36 -8.542 31.649 -19.480 284 HE2 TYR 36 HE2 TYR 36 -6.910 33.513 -23.000 285 HH TYR 36 HH TYR 36 -9.605 31.683 -21.521 286 H GLU 37 H GLU 37 -2.962 34.677 -16.434 287 HA GLU 37 HA GLU 37 -0.243 34.985 -17.089 288 1HB GLU 37 1HB GLU 37 -1.804 35.453 -14.517 289 2HB GLU 37 2HB GLU 37 -0.100 35.886 -14.695 290 1HG GLU 37 1HG GLU 37 -1.539 37.831 -15.083 291 2HG GLU 37 2HG GLU 37 -0.589 37.419 -16.515 292 H LYS 38 H LYS 38 -1.802 32.977 -14.677 293 HA LYS 38 HA LYS 38 0.675 31.628 -13.943 294 1HB LYS 38 1HB LYS 38 -2.161 31.541 -13.036 295 2HB LYS 38 2HB LYS 38 -1.392 29.978 -13.005 296 1HG LYS 38 1HG LYS 38 -0.057 32.381 -11.704 297 2HG LYS 38 2HG LYS 38 -1.245 31.386 -10.850 298 1HD LYS 38 1HD LYS 38 -0.009 29.384 -11.157 299 2HD LYS 38 2HD LYS 38 1.143 30.129 -12.279 300 1HE LYS 38 1HE LYS 38 2.031 31.505 -10.409 301 2HE LYS 38 2HE LYS 38 0.898 30.702 -9.302 302 1HZ LYS 38 1HZ LYS 38 1.952 28.597 -9.939 303 2HZ LYS 38 2HZ LYS 38 3.028 29.407 -10.876 304 3HZ LYS 38 3HZ LYS 38 3.037 29.638 -9.248 305 H GLY 39 H GLY 39 -1.932 30.951 -16.266 306 1HA GLY 39 1HA GLY 39 -1.363 28.249 -16.821 307 2HA GLY 39 2HA GLY 39 -1.860 29.467 -18.028 308 H VAL 40 H VAL 40 0.253 31.248 -17.970 309 HA VAL 40 HA VAL 40 1.975 29.906 -19.810 310 HB VAL 40 HB VAL 40 2.341 32.567 -18.326 311 1HG1 VAL 40 1HG1 VAL 40 4.090 31.185 -20.370 312 2HG1 VAL 40 2HG1 VAL 40 4.123 32.932 -20.158 313 3HG1 VAL 40 3HG1 VAL 40 4.552 31.885 -18.810 314 1HG2 VAL 40 1HG2 VAL 40 1.549 31.968 -21.222 315 2HG2 VAL 40 2HG2 VAL 40 0.497 32.654 -19.974 316 3HG2 VAL 40 3HG2 VAL 40 1.867 33.580 -20.566 317 H ASP 41 H ASP 41 2.428 30.786 -16.428 318 HA ASP 41 HA ASP 41 5.102 29.822 -16.149 319 1HB ASP 41 1HB ASP 41 4.357 31.342 -14.492 320 2HB ASP 41 2HB ASP 41 2.892 30.407 -14.161 321 H HIS 42 H HIS 42 2.019 28.303 -15.344 322 HA HIS 42 HA HIS 42 3.232 25.840 -14.461 323 1HB HIS 42 1HB HIS 42 0.385 26.603 -15.139 324 2HB HIS 42 2HB HIS 42 0.832 24.915 -14.848 325 HD1 HIS 42 HD1 HIS 42 2.519 24.666 -12.553 326 HD2 HIS 42 HD2 HIS 42 -0.361 27.713 -12.717 327 HE1 HIS 42 HE1 HIS 42 2.070 25.413 -10.166 328 H LEU 43 H LEU 43 2.088 26.966 -17.663 329 HA LEU 43 HA LEU 43 2.463 24.290 -18.744 330 1HB LEU 43 1HB LEU 43 1.232 26.455 -19.842 331 2HB LEU 43 2HB LEU 43 2.835 26.629 -20.571 332 HG LEU 43 HG LEU 43 2.540 24.020 -20.999 333 1HD1 LEU 43 1HD1 LEU 43 0.374 23.859 -19.677 334 2HD1 LEU 43 2HD1 LEU 43 -0.383 24.957 -20.845 335 3HD1 LEU 43 3HD1 LEU 43 0.176 23.359 -21.367 336 1HD2 LEU 43 1HD2 LEU 43 1.019 26.141 -22.574 337 2HD2 LEU 43 2HD2 LEU 43 2.691 25.573 -22.844 338 3HD2 LEU 43 3HD2 LEU 43 1.327 24.489 -23.153 339 H THR 44 H THR 44 4.463 27.249 -18.461 340 HA THR 44 HA THR 44 6.757 26.394 -19.755 341 HB THR 44 HB THR 44 6.625 28.174 -17.333 342 HG1 THR 44 HG1 THR 44 5.578 28.898 -19.224 343 1HG2 THR 44 1HG2 THR 44 8.892 27.590 -19.284 344 2HG2 THR 44 2HG2 THR 44 8.834 28.971 -18.167 345 3HG2 THR 44 3HG2 THR 44 8.913 27.326 -17.522 346 H ASN 45 H ASN 45 5.611 25.646 -16.511 347 HA ASN 45 HA ASN 45 7.952 24.196 -15.617 348 1HB ASN 45 1HB ASN 45 5.178 24.501 -14.529 349 2HB ASN 45 2HB ASN 45 6.255 23.233 -13.914 350 1HD2 ASN 45 2HD2 ASN 45 6.046 26.794 -14.370 351 2HD2 ASN 45 1HD2 ASN 45 7.118 27.174 -13.055 352 H ALA 46 H ALA 46 4.824 23.238 -17.119 353 HA ALA 46 HA ALA 46 5.220 20.472 -17.014 354 1HB ALA 46 1HB ALA 46 3.101 21.607 -17.577 355 2HB ALA 46 2HB ALA 46 3.721 21.956 -19.201 356 3HB ALA 46 3HB ALA 46 3.491 20.284 -18.658 357 H ILE 47 H ILE 47 6.331 22.922 -19.394 358 HA ILE 47 HA ILE 47 7.757 21.098 -21.090 359 HB ILE 47 HB ILE 47 8.169 24.055 -20.604 360 1HG1 ILE 47 1HG1 ILE 47 7.440 24.145 -23.109 361 2HG1 ILE 47 2HG1 ILE 47 6.872 22.481 -22.893 362 1HG2 ILE 47 1HG2 ILE 47 9.746 22.387 -22.498 363 2HG2 ILE 47 2HG2 ILE 47 9.704 24.170 -22.462 364 3HG2 ILE 47 3HG2 ILE 47 10.349 23.305 -21.106 365 1HD1 ILE 47 1HD1 ILE 47 5.987 24.848 -21.239 366 2HD1 ILE 47 2HD1 ILE 47 5.129 24.263 -22.665 367 3HD1 ILE 47 3HD1 ILE 47 5.271 23.199 -21.268 368 H ALA 48 H ALA 48 8.634 22.666 -18.111 369 HA ALA 48 HA ALA 48 11.435 22.159 -18.260 370 1HB ALA 48 1HB ALA 48 10.440 23.801 -16.658 371 2HB ALA 48 2HB ALA 48 9.857 22.429 -15.675 372 3HB ALA 48 3HB ALA 48 11.588 22.661 -15.926 373 H VAL 49 H VAL 49 8.711 20.137 -17.337 374 HA VAL 49 HA VAL 49 10.623 18.026 -16.438 375 HB VAL 49 HB VAL 49 8.834 16.935 -15.498 376 1HG1 VAL 49 1HG1 VAL 49 9.794 19.063 -14.410 377 2HG1 VAL 49 2HG1 VAL 49 8.268 19.852 -14.862 378 3HG1 VAL 49 3HG1 VAL 49 8.261 18.447 -13.779 379 1HG2 VAL 49 1HG2 VAL 49 7.052 17.497 -17.282 380 2HG2 VAL 49 2HG2 VAL 49 6.552 17.406 -15.606 381 3HG2 VAL 49 3HG2 VAL 49 6.800 18.994 -16.354 382 H CYS 50 H CYS 50 8.830 18.995 -19.271 383 HA CYS 50 HA CYS 50 8.739 16.196 -20.277 384 1HB CYS 50 1HB CYS 50 6.868 17.446 -20.748 385 2HB CYS 50 2HB CYS 50 7.781 18.829 -21.396 386 HG CYS 50 HG CYS 50 7.794 15.733 -22.539 387 H GLY 51 H GLY 51 10.409 19.284 -21.109 388 1HA GLY 51 1HA GLY 51 12.560 19.562 -21.875 389 2HA GLY 51 2HA GLY 51 12.785 17.813 -21.993 390 H GLN 52 H GLN 52 9.943 18.339 -23.552 391 HA GLN 52 HA GLN 52 11.130 18.895 -26.290 392 1HB GLN 52 1HB GLN 52 10.568 16.451 -25.646 393 2HB GLN 52 2HB GLN 52 8.889 16.961 -25.767 394 1HG GLN 52 1HG GLN 52 9.503 16.108 -27.903 395 2HG GLN 52 2HG GLN 52 9.502 17.870 -28.111 396 1HE2 GLN 52 2HE2 GLN 52 11.426 18.862 -28.810 397 2HE2 GLN 52 1HE2 GLN 52 12.927 17.983 -29.010 398 HA PRO 53 HA PRO 53 7.878 21.917 -24.739 399 1HB PRO 53 1HB PRO 53 8.968 24.068 -26.256 400 2HB PRO 53 2HB PRO 53 9.198 23.759 -24.531 401 1HG PRO 53 1HG PRO 53 10.983 22.937 -26.817 402 2HG PRO 53 2HG PRO 53 11.453 23.624 -25.234 403 1HD PRO 53 1HD PRO 53 11.682 21.032 -25.630 404 2HD PRO 53 2HD PRO 53 10.948 21.602 -24.115 405 H GLN 54 H GLN 54 9.351 21.998 -27.923 406 HA GLN 54 HA GLN 54 7.068 22.885 -29.362 407 1HB GLN 54 1HB GLN 54 9.379 21.169 -30.407 408 2HB GLN 54 2HB GLN 54 8.297 22.186 -31.371 409 1HG GLN 54 1HG GLN 54 9.209 24.215 -30.150 410 2HG GLN 54 2HG GLN 54 10.392 23.167 -29.357 411 1HE2 GLN 54 2HE2 GLN 54 11.153 25.348 -30.984 412 2HE2 GLN 54 1HE2 GLN 54 11.950 24.695 -32.402 413 H GLN 55 H GLN 55 8.049 19.524 -28.588 414 HA GLN 55 HA GLN 55 5.974 18.461 -30.235 415 1HB GLN 55 1HB GLN 55 7.699 16.937 -29.495 416 2HB GLN 55 2HB GLN 55 7.289 17.239 -27.788 417 1HG GLN 55 1HG GLN 55 6.443 15.055 -28.717 418 2HG GLN 55 2HG GLN 55 5.257 16.076 -27.911 419 1HE2 GLN 55 2HE2 GLN 55 6.535 16.184 -31.331 420 2HE2 GLN 55 1HE2 GLN 55 4.933 16.123 -32.042 421 H LEU 56 H LEU 56 6.067 19.437 -26.795 422 HA LEU 56 HA LEU 56 3.414 18.715 -26.423 423 1HB LEU 56 1HB LEU 56 4.957 19.092 -24.522 424 2HB LEU 56 2HB LEU 56 4.897 20.831 -24.846 425 HG LEU 56 HG LEU 56 2.408 20.774 -24.423 426 1HD1 LEU 56 1HD1 LEU 56 2.631 17.925 -24.570 427 2HD1 LEU 56 2HD1 LEU 56 2.428 18.275 -22.875 428 3HD1 LEU 56 3HD1 LEU 56 1.233 18.836 -23.997 429 1HD2 LEU 56 1HD2 LEU 56 4.348 19.936 -22.276 430 2HD2 LEU 56 2HD2 LEU 56 3.909 21.570 -22.784 431 3HD2 LEU 56 3HD2 LEU 56 2.706 20.555 -21.959 432 H LEU 57 H LEU 57 4.823 21.806 -27.556 433 HA LEU 57 HA LEU 57 2.262 23.191 -27.492 434 1HB LEU 57 1HB LEU 57 4.561 23.886 -29.345 435 2HB LEU 57 2HB LEU 57 3.225 24.902 -28.803 436 HG LEU 57 HG LEU 57 5.708 24.077 -27.306 437 1HD1 LEU 57 1HD1 LEU 57 5.618 26.171 -28.645 438 2HD1 LEU 57 2HD1 LEU 57 4.456 26.790 -27.443 439 3HD1 LEU 57 3HD1 LEU 57 6.083 26.332 -26.944 440 1HD2 LEU 57 1HD2 LEU 57 3.182 25.149 -25.962 441 2HD2 LEU 57 2HD2 LEU 57 3.952 23.583 -25.634 442 3HD2 LEU 57 3HD2 LEU 57 4.790 25.073 -25.219 443 H GLN 58 H GLN 58 3.812 21.156 -29.892 444 HA GLN 58 HA GLN 58 1.823 21.546 -31.937 445 1HB GLN 58 1HB GLN 58 3.997 20.552 -32.479 446 2HB GLN 58 2HB GLN 58 3.712 19.204 -31.369 447 1HG GLN 58 1HG GLN 58 1.823 18.437 -32.785 448 2HG GLN 58 2HG GLN 58 2.157 19.764 -33.913 449 1HE2 GLN 58 2HE2 GLN 58 4.099 19.657 -35.206 450 2HE2 GLN 58 1HE2 GLN 58 4.980 18.151 -35.378 451 H VAL 59 H VAL 59 2.194 19.139 -29.358 452 HA VAL 59 HA VAL 59 -0.173 17.699 -29.899 453 HB VAL 59 HB VAL 59 1.936 17.259 -28.239 454 1HG1 VAL 59 1HG1 VAL 59 -0.405 17.867 -26.332 455 2HG1 VAL 59 2HG1 VAL 59 1.048 16.929 -25.924 456 3HG1 VAL 59 3HG1 VAL 59 1.162 18.613 -26.316 457 1HG2 VAL 59 1HG2 VAL 59 -0.567 15.832 -28.441 458 2HG2 VAL 59 2HG2 VAL 59 1.038 15.548 -29.144 459 3HG2 VAL 59 3HG2 VAL 59 0.814 15.342 -27.409 460 H LEU 60 H LEU 60 0.310 20.642 -28.038 461 HA LEU 60 HA LEU 60 -2.396 20.707 -26.879 462 1HB LEU 60 1HB LEU 60 -0.012 22.567 -27.193 463 2HB LEU 60 2HB LEU 60 -1.553 23.281 -26.818 464 HG LEU 60 HG LEU 60 0.215 22.751 -24.996 465 1HD1 LEU 60 1HD1 LEU 60 -2.811 22.300 -24.744 466 2HD1 LEU 60 2HD1 LEU 60 -1.769 22.535 -23.335 467 3HD1 LEU 60 3HD1 LEU 60 -1.965 23.835 -24.529 468 1HD2 LEU 60 1HD2 LEU 60 0.254 20.294 -25.351 469 2HD2 LEU 60 2HD2 LEU 60 -0.171 20.754 -23.700 470 3HD2 LEU 60 3HD2 LEU 60 -1.427 20.174 -24.809 471 H GLN 61 H GLN 61 -0.777 21.893 -29.817 472 HA GLN 61 HA GLN 61 -3.050 23.562 -30.536 473 1HB GLN 61 1HB GLN 61 -0.741 24.212 -31.056 474 2HB GLN 61 2HB GLN 61 -0.528 22.807 -32.103 475 1HG GLN 61 1HG GLN 61 -1.959 23.724 -33.795 476 2HG GLN 61 2HG GLN 61 -2.560 24.992 -32.715 477 1HE2 GLN 61 2HE2 GLN 61 -0.794 26.537 -31.826 478 2HE2 GLN 61 1HE2 GLN 61 0.457 26.977 -32.969 479 H GLN 62 H GLN 62 -2.820 20.299 -30.492 480 HA GLN 62 HA GLN 62 -4.314 19.827 -33.041 481 1HB GLN 62 1HB GLN 62 -2.733 18.047 -31.152 482 2HB GLN 62 2HB GLN 62 -3.767 17.406 -32.432 483 1HG GLN 62 1HG GLN 62 -1.605 19.446 -33.044 484 2HG GLN 62 2HG GLN 62 -1.231 17.723 -32.898 485 1HE2 GLN 62 2HE2 GLN 62 -2.690 16.231 -34.292 486 2HE2 GLN 62 1HE2 GLN 62 -3.057 16.819 -35.902 487 H THR 63 H THR 63 -4.379 19.494 -29.496 488 HA THR 63 HA THR 63 -6.917 18.054 -29.608 489 HB THR 63 HB THR 63 -5.355 17.322 -28.080 490 HG1 THR 63 HG1 THR 63 -6.697 17.179 -26.318 491 1HG2 THR 63 1HG2 THR 63 -5.554 20.028 -26.728 492 2HG2 THR 63 2HG2 THR 63 -4.804 18.599 -26.028 493 3HG2 THR 63 3HG2 THR 63 -4.131 19.298 -27.493 494 H LEU 64 H LEU 64 -6.059 21.242 -28.272 495 HA LEU 64 HA LEU 64 -8.769 22.253 -28.984 496 1HB LEU 64 1HB LEU 64 -7.396 22.431 -26.250 497 2HB LEU 64 2HB LEU 64 -8.695 23.498 -26.729 498 HG LEU 64 HG LEU 64 -9.497 21.965 -25.217 499 1HD1 LEU 64 1HD1 LEU 64 -11.047 22.661 -27.001 500 2HD1 LEU 64 2HD1 LEU 64 -10.656 21.187 -27.918 501 3HD1 LEU 64 3HD1 LEU 64 -11.454 21.072 -26.336 502 1HD2 LEU 64 1HD2 LEU 64 -7.869 20.083 -25.686 503 2HD2 LEU 64 2HD2 LEU 64 -9.532 19.653 -25.242 504 3HD2 LEU 64 3HD2 LEU 64 -9.024 19.542 -26.923 505 HA PRO 65 HA PRO 65 -6.231 25.688 -30.271 506 1HB PRO 65 1HB PRO 65 -7.946 27.821 -30.085 507 2HB PRO 65 2HB PRO 65 -8.032 26.565 -31.351 508 1HG PRO 65 1HG PRO 65 -9.635 26.706 -28.784 509 2HG PRO 65 2HG PRO 65 -10.239 26.417 -30.442 510 1HD PRO 65 1HD PRO 65 -9.776 24.372 -28.724 511 2HD PRO 65 2HD PRO 65 -9.362 24.201 -30.456 512 HA PRO 66 HA PRO 66 -5.218 26.918 -25.937 513 1HB PRO 66 1HB PRO 66 -2.605 26.943 -26.044 514 2HB PRO 66 2HB PRO 66 -3.516 25.444 -26.303 515 1HG PRO 66 1HG PRO 66 -2.290 27.158 -28.486 516 2HG PRO 66 2HG PRO 66 -2.233 25.393 -28.281 517 1HD PRO 66 1HD PRO 66 -4.097 26.857 -29.818 518 2HD PRO 66 2HD PRO 66 -4.288 25.177 -29.260 519 HA PRO 67 HA PRO 67 -4.982 31.354 -27.142 520 1HB PRO 67 1HB PRO 67 -6.200 32.468 -24.997 521 2HB PRO 67 2HB PRO 67 -7.117 31.612 -26.266 522 1HG PRO 67 1HG PRO 67 -6.279 30.541 -23.565 523 2HG PRO 67 2HG PRO 67 -7.860 30.401 -24.367 524 1HD PRO 67 1HD PRO 67 -5.945 28.417 -24.453 525 2HD PRO 67 2HD PRO 67 -7.123 28.698 -25.768 526 H VAL 68 H VAL 68 -4.326 29.988 -23.947 527 HA VAL 68 HA VAL 68 -2.506 31.917 -22.942 528 HB VAL 68 HB VAL 68 -2.997 28.987 -22.253 529 1HG1 VAL 68 1HG1 VAL 68 -0.670 30.629 -21.224 530 2HG1 VAL 68 2HG1 VAL 68 -1.295 29.120 -20.516 531 3HG1 VAL 68 3HG1 VAL 68 -0.583 29.093 -22.124 532 1HG2 VAL 68 1HG2 VAL 68 -3.092 31.719 -20.869 533 2HG2 VAL 68 2HG2 VAL 68 -4.474 30.681 -21.288 534 3HG2 VAL 68 3HG2 VAL 68 -3.308 30.204 -20.030 535 H PHE 69 H PHE 69 -1.923 29.051 -24.960 536 HA PHE 69 HA PHE 69 0.888 29.077 -25.158 537 1HB PHE 69 1HB PHE 69 -0.248 27.350 -26.247 538 2HB PHE 69 2HB PHE 69 -1.354 28.489 -27.015 539 HD1 PHE 69 HD1 PHE 69 2.112 27.164 -27.226 540 HD2 PHE 69 HD2 PHE 69 -1.026 29.431 -29.106 541 HE1 PHE 69 HE1 PHE 69 3.376 27.153 -29.386 542 HE2 PHE 69 HE2 PHE 69 0.232 29.415 -31.245 543 HZ PHE 69 HZ PHE 69 2.434 28.268 -31.384 544 H GLN 70 H GLN 70 -1.406 31.280 -26.725 545 HA GLN 70 HA GLN 70 0.649 32.520 -28.334 546 1HB GLN 70 1HB GLN 70 -1.787 32.583 -28.855 547 2HB GLN 70 2HB GLN 70 -2.013 33.790 -27.582 548 1HG GLN 70 1HG GLN 70 0.195 34.381 -29.527 549 2HG GLN 70 2HG GLN 70 -1.415 34.287 -30.226 550 1HE2 GLN 70 2HE2 GLN 70 0.545 35.990 -27.767 551 2HE2 GLN 70 1HE2 GLN 70 -0.481 37.415 -27.710 552 H MET 71 H MET 71 -0.545 33.109 -25.065 553 HA MET 71 HA MET 71 0.869 35.620 -24.701 554 1HB MET 71 1HB MET 71 -0.141 33.751 -22.546 555 2HB MET 71 2HB MET 71 0.343 35.453 -22.428 556 1HG MET 71 1HG MET 71 -1.697 35.746 -24.175 557 2HG MET 71 2HG MET 71 -2.217 34.245 -23.413 558 1HE MET 71 1HE MET 71 -1.632 34.250 -20.541 559 2HE MET 71 2HE MET 71 -0.596 35.670 -20.310 560 3HE MET 71 3HE MET 71 -2.195 35.642 -19.567 561 H LEU 72 H LEU 72 1.330 32.150 -24.028 562 HA LEU 72 HA LEU 72 3.625 32.176 -22.468 563 1HB LEU 72 1HB LEU 72 1.993 30.244 -23.462 564 2HB LEU 72 2HB LEU 72 3.254 30.161 -24.697 565 HG LEU 72 HG LEU 72 3.372 29.532 -21.754 566 1HD1 LEU 72 1HD1 LEU 72 2.535 27.950 -23.296 567 2HD1 LEU 72 2HD1 LEU 72 4.034 28.055 -24.269 568 3HD1 LEU 72 3HD1 LEU 72 4.102 27.441 -22.586 569 1HD2 LEU 72 1HD2 LEU 72 5.703 29.812 -23.769 570 2HD2 LEU 72 2HD2 LEU 72 5.542 30.769 -22.278 571 3HD2 LEU 72 3HD2 LEU 72 5.848 29.028 -22.184 572 H LEU 73 H LEU 73 3.139 32.160 -25.914 573 HA LEU 73 HA LEU 73 5.924 32.387 -26.597 574 1HB LEU 73 1HB LEU 73 3.203 32.715 -27.941 575 2HB LEU 73 2HB LEU 73 4.553 33.454 -28.778 576 HG LEU 73 HG LEU 73 5.563 31.534 -29.308 577 1HD1 LEU 73 1HD1 LEU 73 3.850 29.927 -27.326 578 2HD1 LEU 73 2HD1 LEU 73 4.992 29.237 -28.482 579 3HD1 LEU 73 3HD1 LEU 73 5.591 30.230 -27.149 580 1HD2 LEU 73 1HD2 LEU 73 3.411 31.907 -30.422 581 2HD2 LEU 73 2HD2 LEU 73 3.875 30.185 -30.380 582 3HD2 LEU 73 3HD2 LEU 73 2.635 30.805 -29.252 583 H THR 74 H THR 74 3.535 34.742 -25.940 584 HA THR 74 HA THR 74 5.231 36.914 -26.883 585 HB THR 74 HB THR 74 2.625 36.891 -26.857 586 HG1 THR 74 HG1 THR 74 4.351 39.093 -26.491 587 1HG2 THR 74 1HG2 THR 74 2.573 36.997 -24.296 588 2HG2 THR 74 2HG2 THR 74 3.337 38.588 -24.435 589 3HG2 THR 74 3HG2 THR 74 1.728 38.303 -25.152 590 H LYS 75 H LYS 75 4.763 35.162 -23.828 591 HA LYS 75 HA LYS 75 5.934 37.203 -22.229 592 1HB LYS 75 1HB LYS 75 5.074 34.356 -22.084 593 2HB LYS 75 2HB LYS 75 6.360 34.746 -20.970 594 1HG LYS 75 1HG LYS 75 3.856 36.486 -21.224 595 2HG LYS 75 2HG LYS 75 3.773 35.032 -20.273 596 1HD LYS 75 1HD LYS 75 5.828 37.206 -19.726 597 2HD LYS 75 2HD LYS 75 4.235 37.112 -18.954 598 1HE LYS 75 1HE LYS 75 4.766 34.880 -18.029 599 2HE LYS 75 2HE LYS 75 6.374 34.936 -18.765 600 1HZ LYS 75 1HZ LYS 75 6.850 36.865 -17.452 601 2HZ LYS 75 2HZ LYS 75 5.362 36.804 -16.745 602 3HZ LYS 75 3HZ LYS 75 6.444 35.586 -16.501 603 H LEU 76 H LEU 76 7.554 34.776 -24.355 604 HA LEU 76 HA LEU 76 10.065 34.969 -23.206 605 1HB LEU 76 1HB LEU 76 9.149 34.572 -26.096 606 2HB LEU 76 2HB LEU 76 10.837 34.432 -25.599 607 HG LEU 76 HG LEU 76 10.227 32.371 -24.378 608 1HD1 LEU 76 1HD1 LEU 76 7.470 32.969 -25.291 609 2HD1 LEU 76 2HD1 LEU 76 7.977 31.359 -24.746 610 3HD1 LEU 76 3HD1 LEU 76 8.010 32.715 -23.606 611 1HD2 LEU 76 1HD2 LEU 76 10.737 32.311 -26.869 612 2HD2 LEU 76 2HD2 LEU 76 9.627 31.024 -26.363 613 3HD2 LEU 76 3HD2 LEU 76 8.995 32.461 -27.176 614 HA PRO 77 HA PRO 77 11.401 38.713 -25.782 615 1HB PRO 77 1HB PRO 77 9.614 40.130 -27.298 616 2HB PRO 77 2HB PRO 77 10.459 38.669 -27.897 617 1HG PRO 77 1HG PRO 77 7.685 38.853 -26.664 618 2HG PRO 77 2HG PRO 77 8.144 38.087 -28.216 619 1HD PRO 77 1HD PRO 77 7.938 36.573 -25.980 620 2HD PRO 77 2HD PRO 77 9.311 36.355 -27.117 621 H THR 78 H THR 78 11.749 40.047 -24.091 622 HA THR 78 HA THR 78 9.500 41.600 -22.892 623 HB THR 78 HB THR 78 12.123 40.619 -21.688 624 HG1 THR 78 HG1 THR 78 10.748 39.361 -20.484 625 1HG2 THR 78 1HG2 THR 78 9.881 42.288 -20.494 626 2HG2 THR 78 2HG2 THR 78 11.234 41.566 -19.590 627 3HG2 THR 78 3HG2 THR 78 11.552 42.836 -20.786 628 H ILE 79 H ILE 79 12.977 41.729 -23.787 629 HA ILE 79 HA ILE 79 13.125 44.593 -23.598 630 HB ILE 79 HB ILE 79 14.951 42.623 -25.079 631 1HG1 ILE 79 1HG1 ILE 79 16.523 43.099 -23.162 632 2HG1 ILE 79 2HG1 ILE 79 15.174 43.826 -22.278 633 1HG2 ILE 79 1HG2 ILE 79 15.361 45.545 -24.334 634 2HG2 ILE 79 2HG2 ILE 79 16.627 44.467 -24.957 635 3HG2 ILE 79 3HG2 ILE 79 15.249 44.862 -25.974 636 1HD1 ILE 79 1HD1 ILE 79 15.122 40.970 -23.354 637 2HD1 ILE 79 2HD1 ILE 79 15.822 41.388 -21.778 638 3HD1 ILE 79 3HD1 ILE 79 14.110 41.685 -22.067 639 H SER 80 H SER 80 12.727 42.331 -26.261 640 HA SER 80 HA SER 80 12.749 44.072 -28.418 641 1HB SER 80 1HB SER 80 10.835 41.737 -28.161 642 2HB SER 80 2HB SER 80 11.551 42.386 -29.642 643 HG SER 80 HG SER 80 13.596 41.728 -28.822 644 H GLN 81 H GLN 81 9.995 43.233 -26.295 645 HA GLN 81 HA GLN 81 8.010 44.711 -27.575 646 1HB GLN 81 1HB GLN 81 7.645 43.028 -25.770 647 2HB GLN 81 2HB GLN 81 8.318 44.167 -24.598 648 1HG GLN 81 1HG GLN 81 5.897 44.212 -24.494 649 2HG GLN 81 2HG GLN 81 6.496 45.770 -25.069 650 1HE2 GLN 81 2HE2 GLN 81 4.572 46.375 -26.175 651 2HE2 GLN 81 1HE2 GLN 81 3.983 45.498 -27.573 652 H ARG 82 H ARG 82 10.356 45.661 -25.130 653 HA ARG 82 HA ARG 82 9.374 48.295 -24.686 654 1HB ARG 82 1HB ARG 82 10.991 47.072 -23.197 655 2HB ARG 82 2HB ARG 82 12.280 47.455 -24.358 656 1HG ARG 82 1HG ARG 82 11.830 49.869 -24.067 657 2HG ARG 82 2HG ARG 82 10.516 49.487 -22.935 658 1HD ARG 82 1HD ARG 82 12.150 48.369 -21.438 659 2HD ARG 82 2HD ARG 82 13.460 48.782 -22.572 660 HE ARG 82 HE ARG 82 12.080 51.163 -21.927 661 1HH1 ARG 82 1HH1 ARG 82 14.141 48.779 -20.315 662 2HH1 ARG 82 2HH1 ARG 82 14.755 49.897 -19.129 663 1HH2 ARG 82 1HH2 ARG 82 12.881 52.646 -20.363 664 2HH2 ARG 82 2HH2 ARG 82 14.027 52.124 -19.162 665 H ILE 83 H ILE 83 11.814 47.083 -27.097 666 HA ILE 83 HA ILE 83 12.524 49.692 -27.956 667 HB ILE 83 HB ILE 83 12.481 47.260 -29.812 668 1HG1 ILE 83 1HG1 ILE 83 13.422 46.272 -28.097 669 2HG1 ILE 83 2HG1 ILE 83 14.738 46.778 -29.177 670 1HG2 ILE 83 1HG2 ILE 83 13.066 49.416 -30.873 671 2HG2 ILE 83 2HG2 ILE 83 14.404 49.610 -29.721 672 3HG2 ILE 83 3HG2 ILE 83 14.401 48.271 -30.883 673 1HD1 ILE 83 1HD1 ILE 83 15.217 48.655 -27.584 674 2HD1 ILE 83 2HD1 ILE 83 14.013 47.946 -26.466 675 3HD1 ILE 83 3HD1 ILE 83 15.455 47.024 -26.911 676 H VAL 84 H VAL 84 10.229 47.291 -29.257 677 HA VAL 84 HA VAL 84 9.211 48.927 -31.346 678 HB VAL 84 HB VAL 84 7.738 46.770 -29.769 679 1HG1 VAL 84 1HG1 VAL 84 7.085 48.010 -32.473 680 2HG1 VAL 84 2HG1 VAL 84 6.311 46.557 -31.806 681 3HG1 VAL 84 3HG1 VAL 84 6.106 48.111 -30.992 682 1HG2 VAL 84 1HG2 VAL 84 9.810 45.916 -30.908 683 2HG2 VAL 84 2HG2 VAL 84 8.336 45.257 -31.620 684 3HG2 VAL 84 3HG2 VAL 84 9.207 46.565 -32.443 685 H SER 85 H SER 85 8.171 48.765 -27.997 686 HA SER 85 HA SER 85 6.094 50.728 -28.356 687 1HB SER 85 1HB SER 85 7.408 49.749 -25.797 688 2HB SER 85 2HB SER 85 5.854 50.600 -25.939 689 HG SER 85 HG SER 85 6.525 48.019 -26.911 690 H ALA 86 H ALA 86 8.445 51.759 -29.422 691 HA ALA 86 HA ALA 86 8.593 54.337 -28.263 692 1HB ALA 86 1HB ALA 86 11.046 52.550 -27.821 693 2HB ALA 86 2HB ALA 86 11.030 54.313 -27.617 694 3HB ALA 86 3HB ALA 86 10.059 53.293 -26.546 695 H GLN 87 H GLN 87 10.071 51.906 -30.341 696 HA GLN 87 HA GLN 87 11.719 53.249 -32.000 697 1HB GLN 87 1HB GLN 87 11.129 50.809 -32.154 698 2HB GLN 87 2HB GLN 87 9.634 51.258 -32.997 699 1HG GLN 87 1HG GLN 87 10.971 52.281 -34.812 700 2HG GLN 87 2HG GLN 87 12.465 51.877 -33.948 701 1HE2 GLN 87 2HE2 GLN 87 12.773 49.467 -33.435 702 2HE2 GLN 87 1HE2 GLN 87 12.212 48.330 -34.646 703 H SER 88 H SER 88 8.378 53.219 -32.250 704 HA SER 88 HA SER 88 8.265 55.778 -33.756 705 1HB SER 88 1HB SER 88 7.957 53.867 -35.359 706 2HB SER 88 2HB SER 88 6.541 53.350 -34.420 707 HG SER 88 HG SER 88 5.468 55.109 -35.061 708 H LEU 89 H LEU 89 8.050 55.004 -30.968 709 HA LEU 89 HA LEU 89 6.765 55.070 -29.101 710 1HB LEU 89 1HB LEU 89 5.618 57.460 -30.502 711 2HB LEU 89 2HB LEU 89 5.713 57.183 -28.743 712 HG LEU 89 HG LEU 89 8.213 57.458 -30.465 713 1HD1 LEU 89 1HD1 LEU 89 6.659 59.654 -29.047 714 2HD1 LEU 89 2HD1 LEU 89 8.264 59.822 -29.794 715 3HD1 LEU 89 3HD1 LEU 89 6.853 59.465 -30.805 716 1HD2 LEU 89 1HD2 LEU 89 7.671 57.931 -27.490 717 2HD2 LEU 89 2HD2 LEU 89 8.491 56.512 -28.166 718 3HD2 LEU 89 3HD2 LEU 89 9.231 58.108 -28.318 719 H GLY 90 H GLY 90 5.765 53.177 -30.751 720 1HA GLY 90 1HA GLY 90 3.679 52.006 -29.980 721 2HA GLY 90 2HA GLY 90 2.786 53.415 -30.576 722 H GLU 91 H GLU 91 2.009 53.182 -32.578 723 HA GLU 91 HA GLU 91 2.793 50.976 -34.253 724 1HB GLU 91 1HB GLU 91 0.439 51.808 -33.972 725 2HB GLU 91 2HB GLU 91 0.859 53.232 -34.938 726 1HG GLU 91 1HG GLU 91 1.308 51.805 -36.877 727 2HG GLU 91 2HG GLU 91 1.079 50.345 -35.890 728 H ASP 92 H ASP 92 3.697 51.110 -36.457 729 HA ASP 92 HA ASP 92 5.107 53.620 -37.191 730 1HB ASP 92 1HB ASP 92 7.001 52.255 -37.833 731 2HB ASP 92 2HB ASP 92 6.588 51.826 -36.171 732 H ASP 93 H ASP 93 6.002 53.065 -39.596 733 HA ASP 93 HA ASP 93 3.995 51.722 -41.242 734 1HB ASP 93 1HB ASP 93 3.408 54.273 -40.837 735 2HB ASP 93 2HB ASP 93 4.708 54.572 -41.997 736 H VAL 94 H VAL 94 4.784 51.882 -43.590 737 HA VAL 94 HA VAL 94 7.751 51.535 -43.755 738 HB VAL 94 HB VAL 94 5.504 50.143 -45.276 739 1HG1 VAL 94 1HG1 VAL 94 8.528 49.772 -45.384 740 2HG1 VAL 94 2HG1 VAL 94 7.339 48.687 -46.134 741 3HG1 VAL 94 3HG1 VAL 94 7.480 50.353 -46.697 742 1HG2 VAL 94 1HG2 VAL 94 7.379 49.113 -43.099 743 2HG2 VAL 94 2HG2 VAL 94 5.620 49.320 -42.963 744 3HG2 VAL 94 3HG2 VAL 94 6.280 48.108 -44.066 745 H GLU 95 H GLU 95 4.778 52.861 -45.246 746 HA GLU 95 HA GLU 95 6.167 53.829 -47.606 747 1HB GLU 95 1HB GLU 95 3.414 54.554 -46.562 748 2HB GLU 95 2HB GLU 95 4.037 54.754 -48.209 749 1HG GLU 95 1HG GLU 95 3.413 52.132 -46.776 750 2HG GLU 95 2HG GLU 95 2.560 52.837 -48.148 751 1H GLY 1 1H GLY 1 -13.610 22.315 -13.532 752 2H GLY 1 2H GLY 1 -11.978 22.142 -13.589 753 3H GLY 1 3H GLY 1 -12.623 23.583 -13.117 754 1HA GLY 1 1HA GLY 1 -13.525 23.956 -15.285 755 2HA GLY 1 2HA GLY 1 -11.764 23.690 -15.355 756 HA PRO 2 HA PRO 2 -14.101 20.567 -18.058 757 1HB PRO 2 1HB PRO 2 -13.380 21.406 -20.556 758 2HB PRO 2 2HB PRO 2 -14.770 22.084 -19.667 759 1HG PRO 2 1HG PRO 2 -11.981 23.244 -19.886 760 2HG PRO 2 2HG PRO 2 -13.541 24.080 -20.105 761 1HD PRO 2 1HD PRO 2 -12.141 24.144 -17.748 762 2HD PRO 2 2HD PRO 2 -13.928 24.147 -17.773 763 H ARG 3 H ARG 3 -10.878 22.053 -18.467 764 HA ARG 3 HA ARG 3 -8.795 21.254 -18.600 765 1HB ARG 3 1HB ARG 3 -9.916 18.539 -17.810 766 2HB ARG 3 2HB ARG 3 -8.222 19.008 -17.837 767 1HG ARG 3 1HG ARG 3 -8.519 20.617 -16.074 768 2HG ARG 3 2HG ARG 3 -10.285 20.402 -16.070 769 1HD ARG 3 1HD ARG 3 -10.065 18.075 -15.394 770 2HD ARG 3 2HD ARG 3 -8.306 18.174 -15.547 771 HE ARG 3 HE ARG 3 -9.610 20.054 -13.664 772 1HH1 ARG 3 1HH1 ARG 3 -7.890 16.933 -13.989 773 2HH1 ARG 3 2HH1 ARG 3 -7.510 16.848 -12.293 774 1HH2 ARG 3 1HH2 ARG 3 -8.955 19.970 -11.473 775 2HH2 ARG 3 2HH2 ARG 3 -8.121 18.571 -10.855 776 H LEU 4 H LEU 4 -7.321 19.783 -19.887 777 HA LEU 4 HA LEU 4 -8.599 18.823 -22.408 778 1HB LEU 4 1HB LEU 4 -7.636 20.613 -23.292 779 2HB LEU 4 2HB LEU 4 -6.607 20.938 -21.939 780 HG LEU 4 HG LEU 4 -6.019 19.023 -24.206 781 1HD1 LEU 4 1HD1 LEU 4 -5.893 21.479 -24.700 782 2HD1 LEU 4 2HD1 LEU 4 -4.755 21.672 -23.356 783 3HD1 LEU 4 3HD1 LEU 4 -4.304 20.695 -24.768 784 1HD2 LEU 4 1HD2 LEU 4 -4.686 19.218 -21.578 785 2HD2 LEU 4 2HD2 LEU 4 -4.439 18.032 -22.867 786 3HD2 LEU 4 3HD2 LEU 4 -3.573 19.560 -22.895 787 H SER 5 H SER 5 -7.505 17.129 -23.431 788 HA SER 5 HA SER 5 -5.224 15.836 -22.445 789 1HB SER 5 1HB SER 5 -6.090 13.782 -21.492 790 2HB SER 5 2HB SER 5 -6.527 15.148 -20.493 791 HG SER 5 HG SER 5 -8.597 15.133 -21.445 792 H ARG 6 H ARG 6 -6.951 13.241 -23.240 793 HA ARG 6 HA ARG 6 -7.445 12.053 -25.081 794 1HB ARG 6 1HB ARG 6 -6.939 14.427 -26.906 795 2HB ARG 6 2HB ARG 6 -7.783 12.930 -27.259 796 1HG ARG 6 1HG ARG 6 -9.634 13.562 -25.743 797 2HG ARG 6 2HG ARG 6 -8.772 15.053 -25.305 798 1HD ARG 6 1HD ARG 6 -8.653 15.542 -27.812 799 2HD ARG 6 2HD ARG 6 -9.910 14.308 -28.021 800 HE ARG 6 HE ARG 6 -11.077 15.806 -26.146 801 1HH1 ARG 6 1HH1 ARG 6 -9.406 16.835 -29.101 802 2HH1 ARG 6 2HH1 ARG 6 -9.918 18.487 -28.990 803 1HH2 ARG 6 1HH2 ARG 6 -12.044 17.897 -26.190 804 2HH2 ARG 6 2HH2 ARG 6 -11.666 19.007 -27.478 805 H LEU 7 H LEU 7 -4.918 14.468 -25.986 806 HA LEU 7 HA LEU 7 -3.239 12.514 -27.245 807 1HB LEU 7 1HB LEU 7 -1.608 14.098 -27.479 808 2HB LEU 7 2HB LEU 7 -3.157 14.819 -27.877 809 HG LEU 7 HG LEU 7 -1.820 16.456 -26.962 810 1HD1 LEU 7 1HD1 LEU 7 -4.041 16.656 -26.304 811 2HD1 LEU 7 2HD1 LEU 7 -3.690 15.912 -24.739 812 3HD1 LEU 7 3HD1 LEU 7 -2.902 17.439 -25.171 813 1HD2 LEU 7 1HD2 LEU 7 -0.155 15.039 -25.595 814 2HD2 LEU 7 2HD2 LEU 7 -0.725 16.492 -24.744 815 3HD2 LEU 7 3HD2 LEU 7 -1.412 14.963 -24.406 816 H LEU 8 H LEU 8 -3.213 13.701 -23.891 817 HA LEU 8 HA LEU 8 -0.707 12.519 -23.323 818 1HB LEU 8 1HB LEU 8 -2.866 13.242 -21.399 819 2HB LEU 8 2HB LEU 8 -1.217 12.747 -20.975 820 HG LEU 8 HG LEU 8 -1.163 15.041 -20.732 821 1HD1 LEU 8 1HD1 LEU 8 0.256 14.423 -23.310 822 2HD1 LEU 8 2HD1 LEU 8 0.322 15.977 -22.523 823 3HD1 LEU 8 3HD1 LEU 8 0.853 14.525 -21.673 824 1HD2 LEU 8 1HD2 LEU 8 -3.066 15.219 -22.919 825 2HD2 LEU 8 2HD2 LEU 8 -2.957 16.100 -21.444 826 3HD2 LEU 8 3HD2 LEU 8 -1.930 16.567 -22.798 827 H SER 9 H SER 9 -3.585 10.821 -23.934 828 HA SER 9 HA SER 9 -3.075 8.527 -22.293 829 1HB SER 9 1HB SER 9 -4.449 8.733 -25.007 830 2HB SER 9 2HB SER 9 -4.636 7.427 -23.816 831 HG SER 9 HG SER 9 -6.306 9.053 -23.737 832 H TYR 10 H TYR 10 -1.417 9.875 -25.011 833 HA TYR 10 HA TYR 10 -0.397 7.520 -26.262 834 1HB TYR 10 1HB TYR 10 0.905 9.057 -27.519 835 2HB TYR 10 2HB TYR 10 -0.693 9.753 -27.319 836 HD1 TYR 10 HD1 TYR 10 0.651 10.591 -24.180 837 HD2 TYR 10 HD2 TYR 10 1.252 11.476 -28.373 838 HE1 TYR 10 HE1 TYR 10 1.688 12.653 -23.562 839 HE2 TYR 10 HE2 TYR 10 2.306 13.599 -27.720 840 HH TYR 10 HH TYR 10 2.928 14.992 -26.003 841 H ALA 11 H ALA 11 0.329 8.640 -23.151 842 HA ALA 11 HA ALA 11 2.889 7.250 -23.055 843 1HB ALA 11 1HB ALA 11 3.495 9.502 -23.983 844 2HB ALA 11 2HB ALA 11 2.645 10.279 -22.645 845 3HB ALA 11 3HB ALA 11 4.107 9.323 -22.332 Start of MODEL 17 1 1H ARG 1 1H ARG 1 10.437 3.699 5.166 2 2H ARG 1 2H ARG 1 11.459 4.933 4.789 3 3H ARG 1 3H ARG 1 10.903 4.763 6.336 4 HA ARG 1 HA ARG 1 8.684 5.193 5.676 5 1HB ARG 1 1HB ARG 1 10.635 7.328 4.711 6 2HB ARG 1 2HB ARG 1 8.891 7.561 4.958 7 1HG ARG 1 1HG ARG 1 9.179 6.921 7.360 8 2HG ARG 1 2HG ARG 1 10.935 6.816 7.095 9 1HD ARG 1 1HD ARG 1 10.937 9.199 6.353 10 2HD ARG 1 2HD ARG 1 9.196 9.288 6.711 11 HE ARG 1 HE ARG 1 10.542 8.334 9.018 12 1HH1 ARG 1 1HH1 ARG 1 10.249 11.317 7.126 13 2HH1 ARG 1 2HH1 ARG 1 10.618 12.366 8.466 14 1HH2 ARG 1 1HH2 ARG 1 11.039 9.714 10.783 15 2HH2 ARG 1 2HH2 ARG 1 11.070 11.440 10.568 16 H ALA 2 H ALA 2 9.843 6.930 2.890 17 HA ALA 2 HA ALA 2 9.496 6.798 0.716 18 1HB ALA 2 1HB ALA 2 10.645 4.579 0.881 19 2HB ALA 2 2HB ALA 2 9.050 3.797 0.966 20 3HB ALA 2 3HB ALA 2 9.511 4.713 -0.473 21 H GLY 3 H GLY 3 7.804 6.174 -1.035 22 1HA GLY 3 1HA GLY 3 5.298 5.339 -0.882 23 2HA GLY 3 2HA GLY 3 5.151 6.861 0.028 24 H LEU 4 H LEU 4 3.657 7.204 -1.941 25 HA LEU 4 HA LEU 4 4.924 7.846 -4.463 26 1HB LEU 4 1HB LEU 4 2.199 7.689 -3.369 27 2HB LEU 4 2HB LEU 4 2.397 9.164 -4.292 28 HG LEU 4 HG LEU 4 1.491 7.365 -5.609 29 1HD1 LEU 4 1HD1 LEU 4 2.803 9.111 -6.743 30 2HD1 LEU 4 2HD1 LEU 4 4.257 8.093 -6.644 31 3HD1 LEU 4 3HD1 LEU 4 2.858 7.560 -7.591 32 1HD2 LEU 4 1HD2 LEU 4 2.566 5.445 -4.500 33 2HD2 LEU 4 2HD2 LEU 4 2.713 5.385 -6.263 34 3HD2 LEU 4 3HD2 LEU 4 4.110 5.854 -5.279 35 H SER 5 H SER 5 4.698 10.042 -5.469 36 HA SER 5 HA SER 5 4.605 12.352 -3.874 37 1HB SER 5 1HB SER 5 7.312 11.283 -4.794 38 2HB SER 5 2HB SER 5 7.051 13.020 -4.559 39 HG SER 5 HG SER 5 6.441 11.148 -2.536 40 H LYS 6 H LYS 6 4.651 14.227 -5.193 41 HA LYS 6 HA LYS 6 3.559 13.820 -7.846 42 1HB LYS 6 1HB LYS 6 4.531 16.422 -6.572 43 2HB LYS 6 2HB LYS 6 3.308 16.228 -7.830 44 1HG LYS 6 1HG LYS 6 1.706 15.318 -6.200 45 2HG LYS 6 2HG LYS 6 2.945 15.250 -4.951 46 1HD LYS 6 1HD LYS 6 1.715 17.136 -4.424 47 2HD LYS 6 2HD LYS 6 3.253 17.703 -5.069 48 1HE LYS 6 1HE LYS 6 1.466 19.096 -5.890 49 2HE LYS 6 2HE LYS 6 2.115 18.200 -7.266 50 1HZ LYS 6 1HZ LYS 6 -0.284 17.355 -5.763 51 2HZ LYS 6 2HZ LYS 6 -0.336 18.309 -7.099 52 3HZ LYS 6 3HZ LYS 6 0.213 16.808 -7.247 53 H LEU 7 H LEU 7 6.483 15.371 -6.597 54 HA LEU 7 HA LEU 7 8.001 14.792 -9.060 55 1HB LEU 7 1HB LEU 7 8.163 17.152 -7.143 56 2HB LEU 7 2HB LEU 7 9.384 16.786 -8.367 57 HG LEU 7 HG LEU 7 6.474 17.483 -8.917 58 1HD1 LEU 7 1HD1 LEU 7 7.810 19.365 -8.046 59 2HD1 LEU 7 2HD1 LEU 7 9.056 19.069 -9.280 60 3HD1 LEU 7 3HD1 LEU 7 7.436 19.611 -9.760 61 1HD2 LEU 7 1HD2 LEU 7 8.807 16.885 -10.805 62 2HD2 LEU 7 2HD2 LEU 7 7.207 16.103 -10.775 63 3HD2 LEU 7 3HD2 LEU 7 7.397 17.777 -11.290 64 HA PRO 8 HA PRO 8 9.907 12.517 -5.606 65 1HB PRO 8 1HB PRO 8 10.429 10.185 -6.891 66 2HB PRO 8 2HB PRO 8 8.775 10.680 -6.515 67 1HG PRO 8 1HG PRO 8 10.159 11.003 -9.178 68 2HG PRO 8 2HG PRO 8 8.550 10.331 -8.818 69 1HD PRO 8 1HD PRO 8 9.027 12.996 -9.558 70 2HD PRO 8 2HD PRO 8 7.608 12.495 -8.618 71 H ASP 9 H ASP 9 11.949 10.936 -7.772 72 HA ASP 9 HA ASP 9 14.111 12.951 -7.417 73 1HB ASP 9 1HB ASP 9 14.242 10.479 -6.691 74 2HB ASP 9 2HB ASP 9 14.328 10.090 -8.415 75 H LEU 10 H LEU 10 11.744 12.224 -9.600 76 HA LEU 10 HA LEU 10 11.263 12.646 -11.685 77 1HB LEU 10 1HB LEU 10 13.945 13.982 -12.146 78 2HB LEU 10 2HB LEU 10 12.455 14.169 -13.069 79 HG LEU 10 HG LEU 10 13.082 15.219 -10.281 80 1HD1 LEU 10 1HD1 LEU 10 13.802 16.492 -12.291 81 2HD1 LEU 10 2HD1 LEU 10 12.111 16.520 -12.856 82 3HD1 LEU 10 3HD1 LEU 10 12.555 17.358 -11.351 83 1HD2 LEU 10 1HD2 LEU 10 10.364 15.318 -11.671 84 2HD2 LEU 10 2HD2 LEU 10 10.719 14.463 -10.147 85 3HD2 LEU 10 3HD2 LEU 10 10.847 16.219 -10.218 86 H LYS 11 H LYS 11 14.045 10.926 -11.031 87 HA LYS 11 HA LYS 11 14.585 9.659 -13.516 88 1HB LYS 11 1HB LYS 11 14.690 8.626 -10.652 89 2HB LYS 11 2HB LYS 11 15.413 7.786 -12.034 90 1HG LYS 11 1HG LYS 11 16.951 9.639 -12.457 91 2HG LYS 11 2HG LYS 11 16.126 10.654 -11.263 92 1HD LYS 11 1HD LYS 11 16.698 8.976 -9.495 93 2HD LYS 11 2HD LYS 11 17.748 8.153 -10.663 94 1HE LYS 11 1HE LYS 11 19.202 10.069 -10.840 95 2HE LYS 11 2HE LYS 11 18.005 11.141 -10.087 96 1HZ LYS 11 1HZ LYS 11 19.389 8.998 -8.655 97 2HZ LYS 11 2HZ LYS 11 19.708 10.615 -8.555 98 3HZ LYS 11 3HZ LYS 11 18.257 10.034 -8.049 99 H ASP 12 H ASP 12 12.029 9.229 -11.036 100 HA ASP 12 HA ASP 12 10.850 6.901 -12.286 101 1HB ASP 12 1HB ASP 12 9.432 8.783 -10.425 102 2HB ASP 12 2HB ASP 12 9.240 7.033 -10.642 103 H ALA 13 H ALA 13 9.453 7.038 -13.870 104 HA ALA 13 HA ALA 13 8.726 9.629 -15.070 105 1HB ALA 13 1HB ALA 13 9.828 7.954 -16.499 106 2HB ALA 13 2HB ALA 13 8.492 6.815 -16.208 107 3HB ALA 13 3HB ALA 13 8.196 8.333 -17.086 108 H GLU 14 H GLU 14 7.070 6.699 -14.057 109 HA GLU 14 HA GLU 14 4.469 7.343 -14.853 110 1HB GLU 14 1HB GLU 14 5.326 5.826 -12.353 111 2HB GLU 14 2HB GLU 14 3.717 5.788 -13.092 112 1HG GLU 14 1HG GLU 14 4.708 4.885 -15.193 113 2HG GLU 14 2HG GLU 14 6.296 4.813 -14.409 114 H ALA 15 H ALA 15 6.112 8.140 -11.831 115 HA ALA 15 HA ALA 15 3.977 9.508 -10.483 116 1HB ALA 15 1HB ALA 15 6.997 9.931 -10.374 117 2HB ALA 15 2HB ALA 15 5.844 10.573 -9.194 118 3HB ALA 15 3HB ALA 15 6.076 8.813 -9.335 119 H VAL 16 H VAL 16 6.430 10.461 -12.775 120 HA VAL 16 HA VAL 16 5.816 13.315 -12.615 121 HB VAL 16 HB VAL 16 7.978 11.716 -13.808 122 1HG1 VAL 16 1HG1 VAL 16 7.301 14.370 -14.995 123 2HG1 VAL 16 2HG1 VAL 16 8.802 13.424 -15.210 124 3HG1 VAL 16 3HG1 VAL 16 7.275 12.782 -15.829 125 1HG2 VAL 16 1HG2 VAL 16 8.135 12.657 -11.684 126 2HG2 VAL 16 2HG2 VAL 16 9.329 13.296 -12.836 127 3HG2 VAL 16 3HG2 VAL 16 7.909 14.291 -12.385 128 H GLN 17 H GLN 17 4.737 10.563 -14.526 129 HA GLN 17 HA GLN 17 3.654 12.224 -16.628 130 1HB GLN 17 1HB GLN 17 3.960 9.715 -16.857 131 2HB GLN 17 2HB GLN 17 2.518 9.529 -15.817 132 1HG GLN 17 1HG GLN 17 1.189 10.851 -17.414 133 2HG GLN 17 2HG GLN 17 2.635 11.152 -18.393 134 1HE2 GLN 17 2HE2 GLN 17 1.467 10.279 -20.205 135 2HE2 GLN 17 1HE2 GLN 17 1.346 8.557 -20.434 136 H LYS 18 H LYS 18 2.588 10.840 -13.520 137 HA LYS 18 HA LYS 18 -0.098 11.816 -13.598 138 1HB LYS 18 1HB LYS 18 1.678 11.345 -11.159 139 2HB LYS 18 2HB LYS 18 -0.058 11.585 -11.129 140 1HG LYS 18 1HG LYS 18 0.451 9.422 -12.979 141 2HG LYS 18 2HG LYS 18 1.475 9.165 -11.567 142 1HD LYS 18 1HD LYS 18 -0.548 8.022 -11.138 143 2HD LYS 18 2HD LYS 18 -0.538 9.450 -10.089 144 1HE LYS 18 1HE LYS 18 -2.032 10.619 -11.779 145 2HE LYS 18 2HE LYS 18 -2.044 9.130 -12.741 146 1HZ LYS 18 1HZ LYS 18 -3.074 8.024 -10.885 147 2HZ LYS 18 2HZ LYS 18 -3.053 9.414 -9.997 148 3HZ LYS 18 3HZ LYS 18 -3.966 9.322 -11.362 149 H PHE 19 H PHE 19 2.814 13.251 -12.088 150 HA PHE 19 HA PHE 19 1.556 15.686 -11.318 151 1HB PHE 19 1HB PHE 19 3.565 15.262 -10.247 152 2HB PHE 19 2HB PHE 19 4.398 14.761 -11.715 153 HD1 PHE 19 HD1 PHE 19 5.097 16.435 -13.458 154 HD2 PHE 19 HD2 PHE 19 3.708 17.618 -9.546 155 HE1 PHE 19 HE1 PHE 19 6.025 18.688 -13.767 156 HE2 PHE 19 HE2 PHE 19 4.684 19.837 -9.871 157 HZ PHE 19 HZ PHE 19 5.869 20.370 -12.102 158 H PHE 20 H PHE 20 3.320 14.859 -14.294 159 HA PHE 20 HA PHE 20 3.434 17.415 -15.469 160 1HB PHE 20 1HB PHE 20 4.720 15.656 -16.368 161 2HB PHE 20 2HB PHE 20 3.297 14.640 -16.661 162 HD1 PHE 20 HD1 PHE 20 4.303 18.121 -17.661 163 HD2 PHE 20 HD2 PHE 20 3.103 14.168 -18.893 164 HE1 PHE 20 HE1 PHE 20 4.386 18.826 -20.045 165 HE2 PHE 20 HE2 PHE 20 3.194 14.882 -21.262 166 HZ PHE 20 HZ PHE 20 3.844 17.194 -21.836 167 H LEU 21 H LEU 21 0.979 14.789 -15.811 168 HA LEU 21 HA LEU 21 -0.875 16.426 -17.267 169 1HB LEU 21 1HB LEU 21 -0.779 13.674 -16.059 170 2HB LEU 21 2HB LEU 21 -2.356 14.392 -15.955 171 HG LEU 21 HG LEU 21 -0.918 14.107 -18.655 172 1HD1 LEU 21 1HD1 LEU 21 -2.810 12.240 -17.176 173 2HD1 LEU 21 2HD1 LEU 21 -2.337 12.087 -18.882 174 3HD1 LEU 21 3HD1 LEU 21 -1.121 11.934 -17.612 175 1HD2 LEU 21 1HD2 LEU 21 -3.720 14.872 -17.718 176 2HD2 LEU 21 2HD2 LEU 21 -2.595 15.798 -18.730 177 3HD2 LEU 21 3HD2 LEU 21 -3.379 14.351 -19.350 178 H GLU 22 H GLU 22 -0.379 15.914 -13.797 179 HA GLU 22 HA GLU 22 -2.848 17.132 -13.040 180 1HB GLU 22 1HB GLU 22 -1.311 15.935 -11.430 181 2HB GLU 22 2HB GLU 22 -0.210 17.325 -11.528 182 1HG GLU 22 1HG GLU 22 -2.116 18.798 -10.754 183 2HG GLU 22 2HG GLU 22 -3.068 17.335 -10.492 184 H GLU 23 H GLU 23 0.297 18.444 -14.118 185 HA GLU 23 HA GLU 23 -0.393 21.153 -13.416 186 1HB GLU 23 1HB GLU 23 1.944 20.039 -13.522 187 2HB GLU 23 2HB GLU 23 1.914 20.454 -15.247 188 1HG GLU 23 1HG GLU 23 1.671 22.775 -14.727 189 2HG GLU 23 2HG GLU 23 1.265 22.456 -13.031 190 H ILE 24 H ILE 24 -0.275 19.245 -16.396 191 HA ILE 24 HA ILE 24 -1.151 21.272 -18.253 192 HB ILE 24 HB ILE 24 -1.148 18.241 -18.227 193 1HG1 ILE 24 1HG1 ILE 24 0.119 20.288 -19.977 194 2HG1 ILE 24 2HG1 ILE 24 0.716 18.734 -19.400 195 1HG2 ILE 24 1HG2 ILE 24 -3.027 19.528 -20.103 196 2HG2 ILE 24 2HG2 ILE 24 -2.454 17.859 -20.156 197 3HG2 ILE 24 3HG2 ILE 24 -3.398 18.362 -18.813 198 1HD1 ILE 24 1HD1 ILE 24 -1.317 19.016 -21.663 199 2HD1 ILE 24 2HD1 ILE 24 0.400 18.870 -21.851 200 3HD1 ILE 24 3HD1 ILE 24 -0.475 17.549 -21.097 201 H GLN 25 H GLN 25 -2.992 19.028 -16.205 202 HA GLN 25 HA GLN 25 -5.608 19.967 -16.880 203 1HB GLN 25 1HB GLN 25 -4.450 18.449 -14.521 204 2HB GLN 25 2HB GLN 25 -6.145 18.910 -14.555 205 1HG GLN 25 1HG GLN 25 -4.885 17.314 -16.813 206 2HG GLN 25 2HG GLN 25 -5.589 16.572 -15.373 207 1HE2 GLN 25 2HE2 GLN 25 -6.315 17.801 -18.505 208 2HE2 GLN 25 1HE2 GLN 25 -8.045 17.690 -18.372 209 H LEU 26 H LEU 26 -3.620 20.605 -14.065 210 HA LEU 26 HA LEU 26 -5.306 22.371 -12.677 211 1HB LEU 26 1HB LEU 26 -3.465 21.346 -11.596 212 2HB LEU 26 2HB LEU 26 -2.288 22.139 -12.673 213 HG LEU 26 HG LEU 26 -2.144 22.939 -10.482 214 1HD1 LEU 26 1HD1 LEU 26 -1.824 24.564 -12.398 215 2HD1 LEU 26 2HD1 LEU 26 -3.423 25.233 -11.970 216 3HD1 LEU 26 3HD1 LEU 26 -2.122 25.249 -10.784 217 1HD2 LEU 26 1HD2 LEU 26 -4.391 22.424 -9.746 218 2HD2 LEU 26 2HD2 LEU 26 -3.933 24.098 -9.344 219 3HD2 LEU 26 3HD2 LEU 26 -5.034 23.780 -10.717 220 H GLY 27 H GLY 27 -2.765 23.122 -15.103 221 1HA GLY 27 1HA GLY 27 -3.120 25.972 -15.127 222 2HA GLY 27 2HA GLY 27 -2.518 25.002 -16.497 223 H GLU 28 H GLU 28 -4.367 23.582 -17.573 224 HA GLU 28 HA GLU 28 -6.218 25.175 -18.823 225 1HB GLU 28 1HB GLU 28 -6.354 22.267 -17.995 226 2HB GLU 28 2HB GLU 28 -7.588 23.008 -19.020 227 1HG GLU 28 1HG GLU 28 -4.726 23.535 -19.802 228 2HG GLU 28 2HG GLU 28 -5.301 21.882 -19.969 229 H GLU 29 H GLU 29 -6.806 23.593 -15.745 230 HA GLU 29 HA GLU 29 -9.547 24.414 -15.415 231 1HB GLU 29 1HB GLU 29 -8.725 22.545 -14.189 232 2HB GLU 29 2HB GLU 29 -7.438 23.506 -13.436 233 1HG GLU 29 1HG GLU 29 -9.155 24.826 -12.205 234 2HG GLU 29 2HG GLU 29 -10.399 23.752 -12.862 235 H LEU 30 H LEU 30 -6.454 25.852 -14.184 236 HA LEU 30 HA LEU 30 -7.841 28.013 -12.890 237 1HB LEU 30 1HB LEU 30 -4.974 27.462 -13.784 238 2HB LEU 30 2HB LEU 30 -5.401 29.106 -13.388 239 HG LEU 30 HG LEU 30 -5.526 26.763 -11.450 240 1HD1 LEU 30 1HD1 LEU 30 -3.257 27.601 -12.135 241 2HD1 LEU 30 2HD1 LEU 30 -3.719 29.203 -11.523 242 3HD1 LEU 30 3HD1 LEU 30 -3.624 27.821 -10.413 243 1HD2 LEU 30 1HD2 LEU 30 -6.102 29.754 -11.044 244 2HD2 LEU 30 2HD2 LEU 30 -7.258 28.427 -10.799 245 3HD2 LEU 30 3HD2 LEU 30 -5.863 28.588 -9.733 246 H LEU 31 H LEU 31 -6.607 27.559 -16.163 247 HA LEU 31 HA LEU 31 -7.278 30.259 -17.049 248 1HB LEU 31 1HB LEU 31 -6.858 27.608 -18.449 249 2HB LEU 31 2HB LEU 31 -7.168 29.116 -19.312 250 HG LEU 31 HG LEU 31 -5.122 30.014 -18.867 251 1HD1 LEU 31 1HD1 LEU 31 -5.210 29.887 -16.298 252 2HD1 LEU 31 2HD1 LEU 31 -4.386 28.329 -16.469 253 3HD1 LEU 31 3HD1 LEU 31 -3.683 29.804 -17.098 254 1HD2 LEU 31 1HD2 LEU 31 -4.985 27.833 -20.045 255 2HD2 LEU 31 2HD2 LEU 31 -3.480 28.278 -19.188 256 3HD2 LEU 31 3HD2 LEU 31 -4.579 27.069 -18.495 257 H ALA 32 H ALA 32 -9.026 27.235 -16.677 258 HA ALA 32 HA ALA 32 -11.385 28.064 -18.021 259 1HB ALA 32 1HB ALA 32 -10.840 25.677 -17.261 260 2HB ALA 32 2HB ALA 32 -11.385 26.157 -15.644 261 3HB ALA 32 3HB ALA 32 -12.502 26.222 -16.996 262 H GLN 33 H GLN 33 -9.948 29.118 -15.055 263 HA GLN 33 HA GLN 33 -12.414 30.418 -14.081 264 1HB GLN 33 1HB GLN 33 -10.051 29.322 -12.851 265 2HB GLN 33 2HB GLN 33 -10.029 31.068 -12.575 266 1HG GLN 33 1HG GLN 33 -12.326 30.947 -11.660 267 2HG GLN 33 2HG GLN 33 -12.369 29.201 -11.971 268 1HE2 GLN 33 2HE2 GLN 33 -10.323 27.992 -11.001 269 2HE2 GLN 33 1HE2 GLN 33 -9.940 28.438 -9.351 270 H GLY 34 H GLY 34 -9.295 30.961 -15.532 271 1HA GLY 34 1HA GLY 34 -9.248 32.714 -17.282 272 2HA GLY 34 2HA GLY 34 -9.894 33.841 -16.089 273 H ASP 35 H ASP 35 -7.535 31.573 -14.819 274 HA ASP 35 HA ASP 35 -5.685 33.880 -14.532 275 1HB ASP 35 1HB ASP 35 -6.478 32.431 -12.598 276 2HB ASP 35 2HB ASP 35 -5.374 31.197 -13.203 277 H TYR 36 H TYR 36 -5.579 33.441 -16.982 278 HA TYR 36 HA TYR 36 -3.948 31.751 -18.384 279 1HB TYR 36 1HB TYR 36 -3.844 34.714 -18.776 280 2HB TYR 36 2HB TYR 36 -3.757 33.418 -19.973 281 HD1 TYR 36 HD1 TYR 36 -6.010 31.809 -19.884 282 HD2 TYR 36 HD2 TYR 36 -5.813 35.973 -18.775 283 HE1 TYR 36 HE1 TYR 36 -8.436 32.028 -20.279 284 HE2 TYR 36 HE2 TYR 36 -8.244 36.186 -19.174 285 HH TYR 36 HH TYR 36 -10.264 33.427 -20.227 286 H GLU 37 H GLU 37 -2.817 34.436 -16.468 287 HA GLU 37 HA GLU 37 -0.108 34.167 -17.312 288 1HB GLU 37 1HB GLU 37 -0.949 36.232 -16.237 289 2HB GLU 37 2HB GLU 37 -1.001 35.391 -14.673 290 1HG GLU 37 1HG GLU 37 1.409 35.051 -14.714 291 2HG GLU 37 2HG GLU 37 1.506 35.568 -16.407 292 H LYS 38 H LYS 38 -1.894 32.686 -14.718 293 HA LYS 38 HA LYS 38 0.438 31.295 -13.673 294 1HB LYS 38 1HB LYS 38 -2.377 31.553 -12.958 295 2HB LYS 38 2HB LYS 38 -1.962 29.851 -12.972 296 1HG LYS 38 1HG LYS 38 -0.353 31.958 -11.447 297 2HG LYS 38 2HG LYS 38 -1.703 31.066 -10.736 298 1HD LYS 38 1HD LYS 38 -0.684 28.967 -11.051 299 2HD LYS 38 2HD LYS 38 0.600 29.611 -12.101 300 1HE LYS 38 1HE LYS 38 1.500 30.865 -10.119 301 2HE LYS 38 2HE LYS 38 0.291 30.039 -9.108 302 1HZ LYS 38 1HZ LYS 38 1.255 27.938 -9.938 303 2HZ LYS 38 2HZ LYS 38 2.415 28.787 -10.716 304 3HZ LYS 38 3HZ LYS 38 2.349 28.837 -9.071 305 H GLY 39 H GLY 39 -1.956 30.660 -16.198 306 1HA GLY 39 1HA GLY 39 -1.327 27.904 -16.642 307 2HA GLY 39 2HA GLY 39 -1.894 29.060 -17.873 308 H VAL 40 H VAL 40 0.193 30.986 -17.721 309 HA VAL 40 HA VAL 40 1.977 29.752 -19.586 310 HB VAL 40 HB VAL 40 2.273 32.362 -18.001 311 1HG1 VAL 40 1HG1 VAL 40 3.927 31.310 -20.292 312 2HG1 VAL 40 2HG1 VAL 40 3.922 32.994 -19.753 313 3HG1 VAL 40 3HG1 VAL 40 4.482 31.731 -18.664 314 1HG2 VAL 40 1HG2 VAL 40 1.247 31.803 -20.827 315 2HG2 VAL 40 2HG2 VAL 40 0.383 32.579 -19.500 316 3HG2 VAL 40 3HG2 VAL 40 1.720 33.403 -20.272 317 H ASP 41 H ASP 41 2.323 30.502 -16.153 318 HA ASP 41 HA ASP 41 5.000 29.554 -15.799 319 1HB ASP 41 1HB ASP 41 4.269 30.887 -14.030 320 2HB ASP 41 2HB ASP 41 2.672 30.139 -13.973 321 H HIS 42 H HIS 42 1.913 27.995 -15.145 322 HA HIS 42 HA HIS 42 3.038 25.484 -14.355 323 1HB HIS 42 1HB HIS 42 0.245 26.389 -15.075 324 2HB HIS 42 2HB HIS 42 0.581 24.683 -14.817 325 HD1 HIS 42 HD1 HIS 42 2.286 24.396 -12.453 326 HD2 HIS 42 HD2 HIS 42 -0.619 27.407 -12.675 327 HE1 HIS 42 HE1 HIS 42 1.760 25.101 -10.077 328 H LEU 43 H LEU 43 2.038 26.742 -17.544 329 HA LEU 43 HA LEU 43 2.344 24.078 -18.680 330 1HB LEU 43 1HB LEU 43 1.073 26.195 -19.703 331 2HB LEU 43 2HB LEU 43 2.671 26.519 -20.393 332 HG LEU 43 HG LEU 43 2.525 23.927 -21.007 333 1HD1 LEU 43 1HD1 LEU 43 0.359 23.542 -19.736 334 2HD1 LEU 43 2HD1 LEU 43 -0.445 24.704 -20.807 335 3HD1 LEU 43 3HD1 LEU 43 0.188 23.190 -21.466 336 1HD2 LEU 43 1HD2 LEU 43 0.846 26.075 -22.407 337 2HD2 LEU 43 2HD2 LEU 43 2.564 25.712 -22.708 338 3HD2 LEU 43 3HD2 LEU 43 1.317 24.527 -23.141 339 H THR 44 H THR 44 4.404 27.006 -18.283 340 HA THR 44 HA THR 44 6.669 26.086 -19.656 341 HB THR 44 HB THR 44 6.609 27.831 -17.189 342 HG1 THR 44 HG1 THR 44 5.559 28.656 -19.010 343 1HG2 THR 44 1HG2 THR 44 8.837 27.234 -19.185 344 2HG2 THR 44 2HG2 THR 44 8.839 28.583 -18.031 345 3HG2 THR 44 3HG2 THR 44 8.873 26.917 -17.435 346 H ASN 45 H ASN 45 5.527 25.386 -16.438 347 HA ASN 45 HA ASN 45 7.782 23.890 -15.457 348 1HB ASN 45 1HB ASN 45 4.902 23.905 -14.641 349 2HB ASN 45 2HB ASN 45 6.194 23.099 -13.715 350 1HD2 ASN 45 2HD2 ASN 45 4.530 24.932 -12.547 351 2HD2 ASN 45 1HD2 ASN 45 5.340 26.492 -12.297 352 H ALA 46 H ALA 46 4.679 23.008 -17.063 353 HA ALA 46 HA ALA 46 4.970 20.232 -16.894 354 1HB ALA 46 1HB ALA 46 2.908 21.463 -17.511 355 2HB ALA 46 2HB ALA 46 3.570 21.745 -19.132 356 3HB ALA 46 3HB ALA 46 3.238 20.104 -18.557 357 H ILE 47 H ILE 47 6.236 22.604 -19.267 358 HA ILE 47 HA ILE 47 7.621 20.694 -20.915 359 HB ILE 47 HB ILE 47 8.103 23.663 -20.480 360 1HG1 ILE 47 1HG1 ILE 47 7.475 23.699 -23.006 361 2HG1 ILE 47 2HG1 ILE 47 6.847 22.063 -22.768 362 1HG2 ILE 47 1HG2 ILE 47 9.733 21.903 -22.262 363 2HG2 ILE 47 2HG2 ILE 47 9.698 23.684 -22.306 364 3HG2 ILE 47 3HG2 ILE 47 10.284 22.874 -20.886 365 1HD1 ILE 47 1HD1 ILE 47 6.019 24.500 -21.159 366 2HD1 ILE 47 2HD1 ILE 47 5.157 23.934 -22.589 367 3HD1 ILE 47 3HD1 ILE 47 5.237 22.883 -21.175 368 H ALA 48 H ALA 48 8.513 22.325 -17.975 369 HA ALA 48 HA ALA 48 11.294 21.746 -18.068 370 1HB ALA 48 1HB ALA 48 10.312 23.465 -16.555 371 2HB ALA 48 2HB ALA 48 9.666 22.153 -15.535 372 3HB ALA 48 3HB ALA 48 11.411 22.333 -15.744 373 H VAL 49 H VAL 49 8.535 19.829 -17.040 374 HA VAL 49 HA VAL 49 10.387 17.707 -16.036 375 HB VAL 49 HB VAL 49 8.555 16.729 -15.053 376 1HG1 VAL 49 1HG1 VAL 49 9.636 18.905 -14.133 377 2HG1 VAL 49 2HG1 VAL 49 8.105 19.690 -14.553 378 3HG1 VAL 49 3HG1 VAL 49 8.139 18.347 -13.392 379 1HG2 VAL 49 1HG2 VAL 49 6.821 17.305 -16.918 380 2HG2 VAL 49 2HG2 VAL 49 6.295 17.234 -15.258 381 3HG2 VAL 49 3HG2 VAL 49 6.590 18.815 -16.014 382 H CYS 50 H CYS 50 8.548 18.583 -18.884 383 HA CYS 50 HA CYS 50 8.334 15.765 -19.766 384 1HB CYS 50 1HB CYS 50 6.540 17.124 -20.322 385 2HB CYS 50 2HB CYS 50 7.557 18.391 -21.045 386 HG CYS 50 HG CYS 50 7.387 15.240 -21.988 387 H GLY 51 H GLY 51 10.143 18.722 -20.807 388 1HA GLY 51 1HA GLY 51 12.290 18.855 -21.617 389 2HA GLY 51 2HA GLY 51 12.478 17.102 -21.498 390 H GLN 52 H GLN 52 9.630 17.780 -23.148 391 HA GLN 52 HA GLN 52 10.850 17.841 -25.918 392 1HB GLN 52 1HB GLN 52 10.048 15.527 -25.003 393 2HB GLN 52 2HB GLN 52 8.433 16.189 -25.190 394 1HG GLN 52 1HG GLN 52 8.936 15.050 -27.227 395 2HG GLN 52 2HG GLN 52 9.067 16.783 -27.588 396 1HE2 GLN 52 2HE2 GLN 52 10.528 16.609 -29.339 397 2HE2 GLN 52 1HE2 GLN 52 12.163 16.017 -29.131 398 HA PRO 53 HA PRO 53 7.801 21.205 -24.625 399 1HB PRO 53 1HB PRO 53 9.163 23.216 -26.100 400 2HB PRO 53 2HB PRO 53 9.245 22.929 -24.356 401 1HG PRO 53 1HG PRO 53 11.107 21.913 -26.501 402 2HG PRO 53 2HG PRO 53 11.530 22.599 -24.904 403 1HD PRO 53 1HD PRO 53 11.563 19.981 -25.237 404 2HD PRO 53 2HD PRO 53 10.779 20.648 -23.780 405 H GLN 54 H GLN 54 9.467 21.037 -27.726 406 HA GLN 54 HA GLN 54 7.382 22.145 -29.291 407 1HB GLN 54 1HB GLN 54 9.504 20.134 -30.204 408 2HB GLN 54 2HB GLN 54 8.590 21.250 -31.231 409 1HG GLN 54 1HG GLN 54 9.681 23.181 -29.958 410 2HG GLN 54 2HG GLN 54 10.729 22.001 -29.167 411 1HE2 GLN 54 2HE2 GLN 54 11.172 24.251 -31.263 412 2HE2 GLN 54 1HE2 GLN 54 12.128 23.439 -32.486 413 H GLN 55 H GLN 55 7.914 18.684 -28.561 414 HA GLN 55 HA GLN 55 5.762 17.825 -30.238 415 1HB GLN 55 1HB GLN 55 7.431 16.248 -29.205 416 2HB GLN 55 2HB GLN 55 6.657 16.523 -27.625 417 1HG GLN 55 1HG GLN 55 4.493 15.657 -28.616 418 2HG GLN 55 2HG GLN 55 5.381 15.311 -30.108 419 1HE2 GLN 55 2HE2 GLN 55 4.906 14.418 -26.708 420 2HE2 GLN 55 1HE2 GLN 55 5.767 12.893 -26.798 421 H LEU 56 H LEU 56 5.888 18.829 -26.848 422 HA LEU 56 HA LEU 56 3.127 18.437 -26.438 423 1HB LEU 56 1HB LEU 56 4.804 18.618 -24.569 424 2HB LEU 56 2HB LEU 56 4.948 20.347 -24.908 425 HG LEU 56 HG LEU 56 2.506 20.609 -24.382 426 1HD1 LEU 56 1HD1 LEU 56 2.445 17.724 -24.451 427 2HD1 LEU 56 2HD1 LEU 56 2.228 18.191 -22.776 428 3HD1 LEU 56 3HD1 LEU 56 1.139 18.818 -23.983 429 1HD2 LEU 56 1HD2 LEU 56 4.380 19.513 -22.280 430 2HD2 LEU 56 2HD2 LEU 56 4.187 21.195 -22.795 431 3HD2 LEU 56 3HD2 LEU 56 2.866 20.388 -21.930 432 H LEU 57 H LEU 57 4.943 21.334 -27.549 433 HA LEU 57 HA LEU 57 2.588 23.016 -27.496 434 1HB LEU 57 1HB LEU 57 4.976 23.417 -29.317 435 2HB LEU 57 2HB LEU 57 3.754 24.594 -28.829 436 HG LEU 57 HG LEU 57 6.098 23.534 -27.279 437 1HD1 LEU 57 1HD1 LEU 57 6.198 25.633 -28.615 438 2HD1 LEU 57 2HD1 LEU 57 5.062 26.341 -27.437 439 3HD1 LEU 57 3HD1 LEU 57 6.646 25.769 -26.904 440 1HD2 LEU 57 1HD2 LEU 57 3.684 24.836 -25.939 441 2HD2 LEU 57 2HD2 LEU 57 4.292 23.196 -25.621 442 3HD2 LEU 57 3HD2 LEU 57 5.273 24.593 -25.196 443 H GLN 58 H GLN 58 3.826 20.742 -29.910 444 HA GLN 58 HA GLN 58 1.911 21.474 -31.933 445 1HB GLN 58 1HB GLN 58 3.446 18.910 -31.376 446 2HB GLN 58 2HB GLN 58 2.402 19.138 -32.787 447 1HG GLN 58 1HG GLN 58 3.761 20.877 -33.673 448 2HG GLN 58 2HG GLN 58 4.636 21.099 -32.159 449 1HE2 GLN 58 2HE2 GLN 58 6.677 20.833 -33.215 450 2HE2 GLN 58 1HE2 GLN 58 7.220 19.248 -33.729 451 H VAL 59 H VAL 59 1.948 19.078 -29.302 452 HA VAL 59 HA VAL 59 -0.609 18.010 -29.793 453 HB VAL 59 HB VAL 59 1.374 17.217 -28.202 454 1HG1 VAL 59 1HG1 VAL 59 -0.818 18.017 -26.186 455 2HG1 VAL 59 2HG1 VAL 59 0.604 17.025 -25.856 456 3HG1 VAL 59 3HG1 VAL 59 0.794 18.711 -26.200 457 1HG2 VAL 59 1HG2 VAL 59 -1.428 16.405 -28.075 458 2HG2 VAL 59 2HG2 VAL 59 -0.116 15.867 -29.190 459 3HG2 VAL 59 3HG2 VAL 59 0.008 15.544 -27.456 460 H LEU 60 H LEU 60 0.324 20.845 -27.963 461 HA LEU 60 HA LEU 60 -2.354 21.366 -26.868 462 1HB LEU 60 1HB LEU 60 0.308 22.802 -27.099 463 2HB LEU 60 2HB LEU 60 -1.108 23.751 -26.725 464 HG LEU 60 HG LEU 60 0.454 22.933 -24.879 465 1HD1 LEU 60 1HD1 LEU 60 -2.611 22.758 -24.771 466 2HD1 LEU 60 2HD1 LEU 60 -1.615 22.825 -23.308 467 3HD1 LEU 60 3HD1 LEU 60 -1.629 24.193 -24.437 468 1HD2 LEU 60 1HD2 LEU 60 0.407 20.561 -25.254 469 2HD2 LEU 60 2HD2 LEU 60 -0.264 20.920 -23.670 470 3HD2 LEU 60 3HD2 LEU 60 -1.341 20.465 -25.004 471 H GLN 61 H GLN 61 -0.580 22.185 -29.853 472 HA GLN 61 HA GLN 61 -2.468 24.312 -30.550 473 1HB GLN 61 1HB GLN 61 -0.176 24.620 -31.110 474 2HB GLN 61 2HB GLN 61 -0.080 23.093 -31.986 475 1HG GLN 61 1HG GLN 61 -1.909 25.385 -32.811 476 2HG GLN 61 2HG GLN 61 -0.228 25.254 -33.339 477 1HE2 GLN 61 2HE2 GLN 61 -2.756 25.168 -34.951 478 2HE2 GLN 61 1HE2 GLN 61 -2.640 23.669 -35.849 479 H GLN 62 H GLN 62 -1.990 20.907 -31.349 480 HA GLN 62 HA GLN 62 -3.956 21.085 -33.516 481 1HB GLN 62 1HB GLN 62 -3.180 19.143 -34.332 482 2HB GLN 62 2HB GLN 62 -1.752 19.903 -33.634 483 1HG GLN 62 1HG GLN 62 -1.671 17.559 -33.284 484 2HG GLN 62 2HG GLN 62 -1.846 18.380 -31.723 485 1HE2 GLN 62 2HE2 GLN 62 -4.099 17.167 -34.294 486 2HE2 GLN 62 1HE2 GLN 62 -5.110 16.258 -33.189 487 H THR 63 H THR 63 -3.967 20.041 -30.154 488 HA THR 63 HA THR 63 -6.352 18.413 -30.510 489 HB THR 63 HB THR 63 -4.626 17.963 -28.825 490 HG1 THR 63 HG1 THR 63 -7.219 18.424 -27.780 491 1HG2 THR 63 1HG2 THR 63 -4.554 20.499 -28.102 492 2HG2 THR 63 2HG2 THR 63 -5.944 20.034 -27.078 493 3HG2 THR 63 3HG2 THR 63 -4.375 19.271 -26.884 494 H LEU 64 H LEU 64 -5.643 21.772 -29.822 495 HA LEU 64 HA LEU 64 -8.316 22.607 -30.342 496 1HB LEU 64 1HB LEU 64 -8.960 23.500 -28.134 497 2HB LEU 64 2HB LEU 64 -8.774 21.768 -28.099 498 HG LEU 64 HG LEU 64 -6.342 22.334 -27.153 499 1HD1 LEU 64 1HD1 LEU 64 -7.949 24.835 -26.438 500 2HD1 LEU 64 2HD1 LEU 64 -6.449 24.319 -25.640 501 3HD1 LEU 64 3HD1 LEU 64 -6.415 24.792 -27.329 502 1HD2 LEU 64 1HD2 LEU 64 -8.973 22.570 -25.632 503 2HD2 LEU 64 2HD2 LEU 64 -8.059 21.082 -25.952 504 3HD2 LEU 64 3HD2 LEU 64 -7.395 22.316 -24.866 505 HA PRO 65 HA PRO 65 -5.910 26.264 -31.177 506 1HB PRO 65 1HB PRO 65 -7.696 28.314 -30.982 507 2HB PRO 65 2HB PRO 65 -7.703 27.107 -32.298 508 1HG PRO 65 1HG PRO 65 -9.405 27.104 -29.794 509 2HG PRO 65 2HG PRO 65 -9.934 26.865 -31.483 510 1HD PRO 65 1HD PRO 65 -9.479 24.770 -29.831 511 2HD PRO 65 2HD PRO 65 -9.016 24.681 -31.550 512 HA PRO 66 HA PRO 66 -5.266 27.384 -26.724 513 1HB PRO 66 1HB PRO 66 -2.695 27.114 -26.531 514 2HB PRO 66 2HB PRO 66 -3.688 25.732 -27.024 515 1HG PRO 66 1HG PRO 66 -2.024 27.462 -28.884 516 2HG PRO 66 2HG PRO 66 -2.188 25.700 -28.817 517 1HD PRO 66 1HD PRO 66 -3.723 27.561 -30.390 518 2HD PRO 66 2HD PRO 66 -4.051 25.828 -30.165 519 HA PRO 67 HA PRO 67 -4.400 31.787 -28.012 520 1HB PRO 67 1HB PRO 67 -6.063 33.069 -26.269 521 2HB PRO 67 2HB PRO 67 -6.663 32.309 -27.774 522 1HG PRO 67 1HG PRO 67 -6.648 31.105 -24.987 523 2HG PRO 67 2HG PRO 67 -8.031 31.230 -26.113 524 1HD PRO 67 1HD PRO 67 -6.576 28.961 -25.962 525 2HD PRO 67 2HD PRO 67 -7.130 29.586 -27.547 526 H VAL 68 H VAL 68 -4.321 30.025 -25.031 527 HA VAL 68 HA VAL 68 -2.930 31.960 -23.396 528 HB VAL 68 HB VAL 68 -3.302 28.932 -23.125 529 1HG1 VAL 68 1HG1 VAL 68 -1.887 30.923 -21.334 530 2HG1 VAL 68 2HG1 VAL 68 -2.427 29.300 -20.834 531 3HG1 VAL 68 3HG1 VAL 68 -1.205 29.461 -22.090 532 1HG2 VAL 68 1HG2 VAL 68 -4.465 31.364 -21.682 533 2HG2 VAL 68 2HG2 VAL 68 -5.337 30.357 -22.855 534 3HG2 VAL 68 3HG2 VAL 68 -4.824 29.670 -21.312 535 H PHE 69 H PHE 69 -1.954 29.124 -25.250 536 HA PHE 69 HA PHE 69 0.795 29.011 -24.866 537 1HB PHE 69 1HB PHE 69 0.005 27.310 -26.188 538 2HB PHE 69 2HB PHE 69 -1.050 28.388 -27.079 539 HD1 PHE 69 HD1 PHE 69 -0.467 29.583 -29.013 540 HD2 PHE 69 HD2 PHE 69 2.364 26.999 -27.044 541 HE1 PHE 69 HE1 PHE 69 0.971 29.629 -31.040 542 HE2 PHE 69 HE2 PHE 69 3.800 27.052 -29.096 543 HZ PHE 69 HZ PHE 69 3.104 28.356 -31.071 544 H GLN 70 H GLN 70 -0.855 31.187 -27.152 545 HA GLN 70 HA GLN 70 1.646 32.376 -27.996 546 1HB GLN 70 1HB GLN 70 0.357 34.168 -29.031 547 2HB GLN 70 2HB GLN 70 -0.120 32.537 -29.517 548 1HG GLN 70 1HG GLN 70 -2.083 32.620 -28.109 549 2HG GLN 70 2HG GLN 70 -1.613 34.218 -27.465 550 1HE2 GLN 70 2HE2 GLN 70 -2.488 32.454 -30.473 551 2HE2 GLN 70 1HE2 GLN 70 -3.176 33.853 -31.279 552 H MET 71 H MET 71 -0.586 33.188 -25.416 553 HA MET 71 HA MET 71 0.524 35.681 -24.556 554 1HB MET 71 1HB MET 71 -0.965 33.689 -22.829 555 2HB MET 71 2HB MET 71 -0.592 35.374 -22.510 556 1HG MET 71 1HG MET 71 -1.902 35.432 -25.021 557 2HG MET 71 2HG MET 71 -2.792 34.250 -24.059 558 1HE MET 71 1HE MET 71 -4.089 34.695 -21.933 559 2HE MET 71 2HE MET 71 -2.594 35.250 -21.137 560 3HE MET 71 3HE MET 71 -4.073 36.235 -21.041 561 H LEU 72 H LEU 72 1.295 32.255 -24.024 562 HA LEU 72 HA LEU 72 3.252 32.611 -21.973 563 1HB LEU 72 1HB LEU 72 2.594 30.404 -21.885 564 2HB LEU 72 2HB LEU 72 2.104 30.395 -23.543 565 HG LEU 72 HG LEU 72 4.555 30.119 -24.192 566 1HD1 LEU 72 1HD1 LEU 72 5.548 30.822 -21.948 567 2HD1 LEU 72 2HD1 LEU 72 4.813 29.371 -21.239 568 3HD1 LEU 72 3HD1 LEU 72 6.064 29.221 -22.486 569 1HD2 LEU 72 1HD2 LEU 72 3.163 28.011 -22.520 570 2HD2 LEU 72 2HD2 LEU 72 2.973 28.284 -24.266 571 3HD2 LEU 72 3HD2 LEU 72 4.518 27.708 -23.628 572 H LEU 73 H LEU 73 3.259 32.465 -25.489 573 HA LEU 73 HA LEU 73 6.167 32.613 -25.594 574 1HB LEU 73 1HB LEU 73 4.238 33.476 -27.788 575 2HB LEU 73 2HB LEU 73 5.950 33.104 -27.972 576 HG LEU 73 HG LEU 73 3.712 31.110 -27.451 577 1HD1 LEU 73 1HD1 LEU 73 3.776 32.041 -29.654 578 2HD1 LEU 73 2HD1 LEU 73 5.506 31.643 -29.802 579 3HD1 LEU 73 3HD1 LEU 73 4.296 30.343 -29.663 580 1HD2 LEU 73 1HD2 LEU 73 6.678 30.537 -27.740 581 2HD2 LEU 73 2HD2 LEU 73 5.719 30.321 -26.254 582 3HD2 LEU 73 3HD2 LEU 73 5.360 29.343 -27.681 583 H THR 74 H THR 74 3.666 35.056 -25.461 584 HA THR 74 HA THR 74 5.404 37.264 -26.121 585 HB THR 74 HB THR 74 3.088 38.327 -25.137 586 HG1 THR 74 HG1 THR 74 2.668 36.523 -24.044 587 1HG2 THR 74 1HG2 THR 74 2.978 36.467 -27.576 588 2HG2 THR 74 2HG2 THR 74 1.785 37.702 -27.160 589 3HG2 THR 74 3HG2 THR 74 3.419 38.186 -27.663 590 H LYS 75 H LYS 75 4.402 35.445 -23.192 591 HA LYS 75 HA LYS 75 5.174 37.497 -21.344 592 1HB LYS 75 1HB LYS 75 4.451 34.610 -21.405 593 2HB LYS 75 2HB LYS 75 5.493 35.026 -20.075 594 1HG LYS 75 1HG LYS 75 2.893 36.504 -20.712 595 2HG LYS 75 2HG LYS 75 2.953 35.098 -19.660 596 1HD LYS 75 1HD LYS 75 4.410 37.693 -19.084 597 2HD LYS 75 2HD LYS 75 2.864 37.165 -18.391 598 1HE LYS 75 1HE LYS 75 3.977 35.166 -17.419 599 2HE LYS 75 2HE LYS 75 5.544 35.767 -18.001 600 1HZ LYS 75 1HZ LYS 75 3.771 37.172 -16.130 601 2HZ LYS 75 2HZ LYS 75 5.146 36.366 -15.731 602 3HZ LYS 75 3HZ LYS 75 5.226 37.720 -16.669 603 H LEU 76 H LEU 76 7.124 35.644 -23.454 604 HA LEU 76 HA LEU 76 9.418 35.407 -21.718 605 1HB LEU 76 1HB LEU 76 9.126 35.008 -24.696 606 2HB LEU 76 2HB LEU 76 10.592 34.671 -23.781 607 HG LEU 76 HG LEU 76 7.889 33.309 -23.267 608 1HD1 LEU 76 1HD1 LEU 76 8.609 32.916 -25.573 609 2HD1 LEU 76 2HD1 LEU 76 10.196 32.373 -24.993 610 3HD1 LEU 76 3HD1 LEU 76 8.728 31.454 -24.584 611 1HD2 LEU 76 1HD2 LEU 76 10.737 32.534 -22.486 612 2HD2 LEU 76 2HD2 LEU 76 9.480 33.119 -21.371 613 3HD2 LEU 76 3HD2 LEU 76 9.274 31.571 -22.203 614 HA PRO 77 HA PRO 77 11.481 38.999 -23.995 615 1HB PRO 77 1HB PRO 77 10.041 40.636 -25.682 616 2HB PRO 77 2HB PRO 77 10.888 39.155 -26.210 617 1HG PRO 77 1HG PRO 77 7.964 39.412 -25.437 618 2HG PRO 77 2HG PRO 77 8.639 38.692 -26.930 619 1HD PRO 77 1HD PRO 77 7.993 37.102 -24.849 620 2HD PRO 77 2HD PRO 77 9.547 36.839 -25.700 621 H THR 78 H THR 78 11.822 40.759 -22.742 622 HA THR 78 HA THR 78 9.565 42.258 -21.538 623 HB THR 78 HB THR 78 11.898 40.866 -20.171 624 HG1 THR 78 HG1 THR 78 9.967 39.675 -20.541 625 1HG2 THR 78 1HG2 THR 78 9.963 42.910 -19.031 626 2HG2 THR 78 2HG2 THR 78 11.068 41.880 -18.084 627 3HG2 THR 78 3HG2 THR 78 11.732 43.094 -19.192 628 H ILE 79 H ILE 79 13.103 42.099 -22.169 629 HA ILE 79 HA ILE 79 13.642 44.797 -21.519 630 HB ILE 79 HB ILE 79 15.136 42.981 -23.479 631 1HG1 ILE 79 1HG1 ILE 79 16.807 42.840 -21.576 632 2HG1 ILE 79 2HG1 ILE 79 15.573 43.493 -20.497 633 1HG2 ILE 79 1HG2 ILE 79 15.992 45.571 -22.125 634 2HG2 ILE 79 2HG2 ILE 79 17.053 44.508 -23.071 635 3HG2 ILE 79 3HG2 ILE 79 15.719 45.333 -23.865 636 1HD1 ILE 79 1HD1 ILE 79 15.146 40.983 -22.185 637 2HD1 ILE 79 2HD1 ILE 79 15.944 40.941 -20.603 638 3HD1 ILE 79 3HD1 ILE 79 14.268 41.482 -20.712 639 H SER 80 H SER 80 12.899 43.275 -24.592 640 HA SER 80 HA SER 80 13.056 45.553 -26.258 641 1HB SER 80 1HB SER 80 12.762 43.191 -27.052 642 2HB SER 80 2HB SER 80 11.060 43.259 -26.549 643 HG SER 80 HG SER 80 10.863 45.081 -27.994 644 H GLN 81 H GLN 81 10.304 44.392 -24.266 645 HA GLN 81 HA GLN 81 8.489 46.341 -25.149 646 1HB GLN 81 1HB GLN 81 7.837 44.294 -23.933 647 2HB GLN 81 2HB GLN 81 8.577 44.930 -22.454 648 1HG GLN 81 1HG GLN 81 6.145 45.221 -22.435 649 2HG GLN 81 2HG GLN 81 6.957 46.785 -22.399 650 1HE2 GLN 81 2HE2 GLN 81 6.688 48.235 -24.145 651 2HE2 GLN 81 1HE2 GLN 81 5.613 47.900 -25.493 652 H ARG 82 H ARG 82 10.917 46.393 -22.606 653 HA ARG 82 HA ARG 82 10.129 48.829 -21.391 654 1HB ARG 82 1HB ARG 82 11.798 47.228 -20.405 655 2HB ARG 82 2HB ARG 82 12.982 47.798 -21.583 656 1HG ARG 82 1HG ARG 82 13.399 48.896 -19.526 657 2HG ARG 82 2HG ARG 82 12.847 50.088 -20.693 658 1HD ARG 82 1HD ARG 82 11.843 50.446 -18.439 659 2HD ARG 82 2HD ARG 82 10.633 50.173 -19.673 660 HE ARG 82 HE ARG 82 9.957 48.257 -18.634 661 1HH1 ARG 82 1HH1 ARG 82 13.147 49.102 -17.349 662 2HH1 ARG 82 2HH1 ARG 82 13.160 47.834 -16.155 663 1HH2 ARG 82 1HH2 ARG 82 9.971 46.578 -17.077 664 2HH2 ARG 82 2HH2 ARG 82 11.320 46.389 -15.994 665 H ILE 83 H ILE 83 12.396 48.264 -24.151 666 HA ILE 83 HA ILE 83 13.258 50.935 -24.365 667 HB ILE 83 HB ILE 83 12.851 49.056 -26.768 668 1HG1 ILE 83 1HG1 ILE 83 13.807 47.638 -25.437 669 2HG1 ILE 83 2HG1 ILE 83 15.077 48.290 -26.491 670 1HG2 ILE 83 1HG2 ILE 83 13.544 51.391 -27.319 671 2HG2 ILE 83 2HG2 ILE 83 14.969 51.193 -26.279 672 3HG2 ILE 83 3HG2 ILE 83 14.771 50.198 -27.732 673 1HD1 ILE 83 1HD1 ILE 83 15.930 49.623 -24.582 674 2HD1 ILE 83 2HD1 ILE 83 14.692 48.874 -23.529 675 3HD1 ILE 83 3HD1 ILE 83 15.941 47.868 -24.276 676 H VAL 84 H VAL 84 10.659 49.202 -26.042 677 HA VAL 84 HA VAL 84 9.664 51.479 -27.453 678 HB VAL 84 HB VAL 84 8.147 48.966 -26.621 679 1HG1 VAL 84 1HG1 VAL 84 7.528 51.021 -28.782 680 2HG1 VAL 84 2HG1 VAL 84 6.688 49.469 -28.579 681 3HG1 VAL 84 3HG1 VAL 84 6.571 50.701 -27.318 682 1HG2 VAL 84 1HG2 VAL 84 10.158 48.418 -28.001 683 2HG2 VAL 84 2HG2 VAL 84 8.665 48.126 -28.894 684 3HG2 VAL 84 3HG2 VAL 84 9.622 49.581 -29.227 685 H SER 85 H SER 85 8.773 50.216 -24.303 686 HA SER 85 HA SER 85 6.799 52.290 -23.863 687 1HB SER 85 1HB SER 85 8.046 50.305 -21.941 688 2HB SER 85 2HB SER 85 6.627 51.328 -21.623 689 HG SER 85 HG SER 85 5.619 50.293 -23.433 690 H ALA 86 H ALA 86 9.127 53.508 -24.618 691 HA ALA 86 HA ALA 86 9.556 55.559 -22.796 692 1HB ALA 86 1HB ALA 86 11.838 53.485 -22.828 693 2HB ALA 86 2HB ALA 86 11.923 55.082 -22.054 694 3HB ALA 86 3HB ALA 86 10.855 53.862 -21.404 695 H GLN 87 H GLN 87 12.201 56.250 -23.584 696 HA GLN 87 HA GLN 87 13.181 57.459 -25.337 697 1HB GLN 87 1HB GLN 87 13.823 55.040 -25.694 698 2HB GLN 87 2HB GLN 87 12.580 54.945 -26.946 699 1HG GLN 87 1HG GLN 87 13.734 56.688 -28.250 700 2HG GLN 87 2HG GLN 87 14.876 56.969 -26.931 701 1HE2 GLN 87 2HE2 GLN 87 16.330 55.141 -26.315 702 2HE2 GLN 87 1HE2 GLN 87 16.830 54.032 -27.578 703 H SER 88 H SER 88 10.698 58.208 -24.822 704 HA SER 88 HA SER 88 9.804 59.652 -27.092 705 1HB SER 88 1HB SER 88 7.517 58.560 -27.249 706 2HB SER 88 2HB SER 88 8.824 57.601 -27.954 707 HG SER 88 HG SER 88 8.810 56.270 -26.184 708 H LEU 89 H LEU 89 8.748 57.980 -24.128 709 HA LEU 89 HA LEU 89 7.376 60.380 -23.117 710 1HB LEU 89 1HB LEU 89 6.353 58.962 -21.536 711 2HB LEU 89 2HB LEU 89 6.322 58.143 -23.106 712 HG LEU 89 HG LEU 89 8.635 57.203 -21.730 713 1HD1 LEU 89 1HD1 LEU 89 7.584 57.993 -19.605 714 2HD1 LEU 89 2HD1 LEU 89 6.123 57.075 -20.009 715 3HD1 LEU 89 3HD1 LEU 89 7.654 56.230 -19.706 716 1HD2 LEU 89 1HD2 LEU 89 5.862 56.003 -22.264 717 2HD2 LEU 89 2HD2 LEU 89 7.257 55.925 -23.361 718 3HD2 LEU 89 3HD2 LEU 89 7.287 55.073 -21.799 719 H GLY 90 H GLY 90 10.116 60.572 -23.474 720 1HA GLY 90 1HA GLY 90 10.960 61.573 -20.891 721 2HA GLY 90 2HA GLY 90 11.914 60.175 -21.449 722 H GLU 91 H GLU 91 12.800 62.984 -21.163 723 HA GLU 91 HA GLU 91 12.905 64.215 -23.744 724 1HB GLU 91 1HB GLU 91 14.635 64.700 -21.272 725 2HB GLU 91 2HB GLU 91 14.463 65.760 -22.666 726 1HG GLU 91 1HG GLU 91 13.099 66.724 -21.026 727 2HG GLU 91 2HG GLU 91 11.983 65.944 -22.152 728 H ASP 92 H ASP 92 15.054 64.780 -24.782 729 HA ASP 92 HA ASP 92 16.900 62.437 -24.925 730 1HB ASP 92 1HB ASP 92 15.446 63.219 -26.937 731 2HB ASP 92 2HB ASP 92 16.538 64.610 -27.011 732 H ASP 93 H ASP 93 18.987 63.910 -26.206 733 HA ASP 93 HA ASP 93 20.172 65.118 -23.850 734 1HB ASP 93 1HB ASP 93 21.307 63.785 -25.841 735 2HB ASP 93 2HB ASP 93 21.477 65.392 -26.552 736 H VAL 94 H VAL 94 21.423 67.267 -24.266 737 HA VAL 94 HA VAL 94 19.625 69.352 -25.436 738 HB VAL 94 HB VAL 94 21.118 69.442 -22.781 739 1HG1 VAL 94 1HG1 VAL 94 19.295 71.475 -24.144 740 2HG1 VAL 94 2HG1 VAL 94 19.848 71.576 -22.460 741 3HG1 VAL 94 3HG1 VAL 94 21.023 71.680 -23.771 742 1HG2 VAL 94 1HG2 VAL 94 18.137 69.239 -23.404 743 2HG2 VAL 94 2HG2 VAL 94 19.128 68.009 -22.590 744 3HG2 VAL 94 3HG2 VAL 94 18.822 69.553 -21.795 745 H GLU 95 H GLU 95 22.905 68.098 -24.911 746 HA GLU 95 HA GLU 95 24.179 70.521 -25.931 747 1HB GLU 95 1HB GLU 95 25.111 69.021 -24.132 748 2HB GLU 95 2HB GLU 95 25.388 67.786 -25.373 749 1HG GLU 95 1HG GLU 95 26.897 69.329 -26.576 750 2HG GLU 95 2HG GLU 95 26.521 70.626 -25.435 751 1H GLY 1 1H GLY 1 -8.153 26.369 -22.468 752 2H GLY 1 2H GLY 1 -7.248 25.006 -22.532 753 3H GLY 1 3H GLY 1 -7.704 25.739 -23.939 754 1HA GLY 1 1HA GLY 1 -9.975 25.215 -23.576 755 2HA GLY 1 2HA GLY 1 -8.985 23.744 -23.446 756 HA PRO 2 HA PRO 2 -11.515 24.371 -19.548 757 1HB PRO 2 1HB PRO 2 -13.097 22.139 -19.636 758 2HB PRO 2 2HB PRO 2 -13.477 23.662 -20.485 759 1HG PRO 2 1HG PRO 2 -12.292 21.148 -21.656 760 2HG PRO 2 2HG PRO 2 -13.529 22.223 -22.341 761 1HD PRO 2 1HD PRO 2 -10.828 22.324 -23.000 762 2HD PRO 2 2HD PRO 2 -11.937 23.722 -23.129 763 H ARG 3 H ARG 3 -10.640 21.027 -20.639 764 HA ARG 3 HA ARG 3 -8.696 20.742 -18.447 765 1HB ARG 3 1HB ARG 3 -11.080 18.857 -18.752 766 2HB ARG 3 2HB ARG 3 -9.707 18.680 -17.657 767 1HG ARG 3 1HG ARG 3 -10.498 20.958 -16.647 768 2HG ARG 3 2HG ARG 3 -12.019 20.602 -17.499 769 1HD ARG 3 1HD ARG 3 -12.326 19.590 -15.365 770 2HD ARG 3 2HD ARG 3 -11.827 18.244 -16.379 771 HE ARG 3 HE ARG 3 -9.710 18.171 -15.348 772 1HH1 ARG 3 1HH1 ARG 3 -11.524 21.039 -14.201 773 2HH1 ARG 3 2HH1 ARG 3 -10.354 21.344 -12.924 774 1HH2 ARG 3 1HH2 ARG 3 -8.231 18.690 -13.635 775 2HH2 ARG 3 2HH2 ARG 3 -8.583 20.094 -12.619 776 H LEU 4 H LEU 4 -7.688 20.924 -20.834 777 HA LEU 4 HA LEU 4 -7.789 18.834 -22.669 778 1HB LEU 4 1HB LEU 4 -6.721 20.851 -23.125 779 2HB LEU 4 2HB LEU 4 -5.624 20.722 -21.754 780 HG LEU 4 HG LEU 4 -5.350 18.814 -24.079 781 1HD1 LEU 4 1HD1 LEU 4 -4.265 21.642 -23.673 782 2HD1 LEU 4 2HD1 LEU 4 -3.679 20.521 -24.920 783 3HD1 LEU 4 3HD1 LEU 4 -5.343 21.126 -24.983 784 1HD2 LEU 4 1HD2 LEU 4 -3.438 20.093 -22.060 785 2HD2 LEU 4 2HD2 LEU 4 -3.929 18.376 -22.016 786 3HD2 LEU 4 3HD2 LEU 4 -2.917 18.992 -23.311 787 H SER 5 H SER 5 -7.257 16.749 -22.627 788 HA SER 5 HA SER 5 -4.975 15.696 -21.362 789 1HB SER 5 1HB SER 5 -6.034 14.111 -19.769 790 2HB SER 5 2HB SER 5 -5.899 15.785 -19.263 791 HG SER 5 HG SER 5 -8.012 14.973 -18.860 792 H ARG 6 H ARG 6 -7.818 15.195 -23.238 793 HA ARG 6 HA ARG 6 -8.005 12.530 -23.763 794 1HB ARG 6 1HB ARG 6 -9.350 14.292 -24.802 795 2HB ARG 6 2HB ARG 6 -7.939 14.875 -25.697 796 1HG ARG 6 1HG ARG 6 -7.879 12.671 -26.941 797 2HG ARG 6 2HG ARG 6 -9.325 12.178 -26.045 798 1HD ARG 6 1HD ARG 6 -9.931 13.024 -28.259 799 2HD ARG 6 2HD ARG 6 -10.562 14.103 -26.995 800 HE ARG 6 HE ARG 6 -7.979 15.007 -27.841 801 1HH1 ARG 6 1HH1 ARG 6 -11.282 14.793 -29.098 802 2HH1 ARG 6 2HH1 ARG 6 -11.140 16.220 -30.091 803 1HH2 ARG 6 1HH2 ARG 6 -7.809 16.917 -29.083 804 2HH2 ARG 6 2HH2 ARG 6 -9.137 17.459 -30.066 805 H LEU 7 H LEU 7 -5.607 14.745 -25.204 806 HA LEU 7 HA LEU 7 -4.180 12.866 -26.823 807 1HB LEU 7 1HB LEU 7 -2.533 14.575 -27.009 808 2HB LEU 7 2HB LEU 7 -4.156 15.223 -27.204 809 HG LEU 7 HG LEU 7 -3.882 15.727 -24.561 810 1HD1 LEU 7 1HD1 LEU 7 -1.061 15.674 -25.698 811 2HD1 LEU 7 2HD1 LEU 7 -1.470 16.720 -24.343 812 3HD1 LEU 7 3HD1 LEU 7 -1.662 14.968 -24.253 813 1HD2 LEU 7 1HD2 LEU 7 -2.974 17.448 -26.834 814 2HD2 LEU 7 2HD2 LEU 7 -4.556 17.360 -25.995 815 3HD2 LEU 7 3HD2 LEU 7 -3.132 18.008 -25.170 816 H LEU 8 H LEU 8 -3.651 13.804 -23.405 817 HA LEU 8 HA LEU 8 -1.196 12.227 -23.192 818 1HB LEU 8 1HB LEU 8 -2.931 13.366 -21.058 819 2HB LEU 8 2HB LEU 8 -1.286 12.730 -20.861 820 HG LEU 8 HG LEU 8 -1.071 15.001 -20.589 821 1HD1 LEU 8 1HD1 LEU 8 -0.029 14.306 -23.281 822 2HD1 LEU 8 2HD1 LEU 8 0.150 15.924 -22.604 823 3HD1 LEU 8 3HD1 LEU 8 0.779 14.516 -21.743 824 1HD2 LEU 8 1HD2 LEU 8 -3.158 15.416 -22.633 825 2HD2 LEU 8 2HD2 LEU 8 -2.964 16.001 -21.008 826 3HD2 LEU 8 3HD2 LEU 8 -2.018 16.706 -22.295 827 H SER 9 H SER 9 -2.219 10.566 -24.161 828 HA SER 9 HA SER 9 -2.993 8.281 -22.524 829 1HB SER 9 1HB SER 9 -5.185 9.305 -23.174 830 2HB SER 9 2HB SER 9 -4.711 9.214 -24.883 831 HG SER 9 HG SER 9 -5.990 7.426 -24.186 832 H TYR 10 H TYR 10 -2.112 9.888 -25.534 833 HA TYR 10 HA TYR 10 -1.230 7.852 -27.207 834 1HB TYR 10 1HB TYR 10 -0.211 9.673 -28.359 835 2HB TYR 10 2HB TYR 10 -1.735 10.259 -27.716 836 HD1 TYR 10 HD1 TYR 10 -0.081 10.665 -24.718 837 HD2 TYR 10 HD2 TYR 10 0.273 12.093 -28.806 838 HE1 TYR 10 HE1 TYR 10 1.077 12.571 -23.937 839 HE2 TYR 10 HE2 TYR 10 1.461 14.038 -27.972 840 HH TYR 10 HH TYR 10 2.122 14.587 -24.494 841 H ALA 11 H ALA 11 0.040 8.643 -24.153 842 HA ALA 11 HA ALA 11 2.573 7.257 -24.545 843 1HB ALA 11 1HB ALA 11 3.063 9.679 -25.037 844 2HB ALA 11 2HB ALA 11 2.297 10.125 -23.499 845 3HB ALA 11 3HB ALA 11 3.789 9.166 -23.494 Start of MODEL 18 1 1H ARG 1 1H ARG 1 7.308 3.030 -6.690 2 2H ARG 1 2H ARG 1 7.677 3.977 -5.407 3 3H ARG 1 3H ARG 1 8.706 2.761 -5.850 4 HA ARG 1 HA ARG 1 7.119 1.107 -5.282 5 1HB ARG 1 1HB ARG 1 7.454 3.179 -3.067 6 2HB ARG 1 2HB ARG 1 6.897 1.519 -2.820 7 1HG ARG 1 1HG ARG 1 9.020 0.645 -3.763 8 2HG ARG 1 2HG ARG 1 9.635 2.306 -3.888 9 1HD ARG 1 1HD ARG 1 9.380 2.623 -1.472 10 2HD ARG 1 2HD ARG 1 8.699 1.011 -1.278 11 HE ARG 1 HE ARG 1 11.493 1.781 -1.612 12 1HH1 ARG 1 1HH1 ARG 1 9.228 -0.930 -1.938 13 2HH1 ARG 1 2HH1 ARG 1 10.453 -2.151 -1.737 14 1HH2 ARG 1 1HH2 ARG 1 13.104 0.168 -1.358 15 2HH2 ARG 1 2HH2 ARG 1 12.677 -1.516 -1.419 16 H ALA 2 H ALA 2 5.058 1.000 -3.610 17 HA ALA 2 HA ALA 2 2.830 1.832 -5.190 18 1HB ALA 2 1HB ALA 2 2.868 -0.250 -3.950 19 2HB ALA 2 2HB ALA 2 2.991 0.623 -2.409 20 3HB ALA 2 3HB ALA 2 1.524 0.770 -3.403 21 H GLY 3 H GLY 3 3.256 4.250 -5.208 22 1HA GLY 3 1HA GLY 3 1.665 5.584 -3.162 23 2HA GLY 3 2HA GLY 3 3.380 6.047 -3.202 24 H LEU 4 H LEU 4 1.347 7.898 -3.763 25 HA LEU 4 HA LEU 4 2.046 8.676 -6.475 26 1HB LEU 4 1HB LEU 4 0.091 7.311 -6.843 27 2HB LEU 4 2HB LEU 4 -0.804 8.106 -5.557 28 HG LEU 4 HG LEU 4 -0.075 9.535 -8.202 29 1HD1 LEU 4 1HD1 LEU 4 -2.550 8.040 -7.344 30 2HD1 LEU 4 2HD1 LEU 4 -2.339 9.000 -8.834 31 3HD1 LEU 4 3HD1 LEU 4 -1.381 7.529 -8.586 32 1HD2 LEU 4 1HD2 LEU 4 -1.992 10.176 -5.910 33 2HD2 LEU 4 2HD2 LEU 4 -0.640 11.180 -6.483 34 3HD2 LEU 4 3HD2 LEU 4 -2.041 10.936 -7.512 35 H SER 5 H SER 5 2.528 10.802 -6.375 36 HA SER 5 HA SER 5 1.090 12.672 -4.794 37 1HB SER 5 1HB SER 5 4.090 12.264 -4.319 38 2HB SER 5 2HB SER 5 3.078 13.499 -3.555 39 HG SER 5 HG SER 5 3.428 11.688 -2.208 40 H LYS 6 H LYS 6 2.611 14.888 -5.133 41 HA LYS 6 HA LYS 6 2.813 15.143 -8.062 42 1HB LYS 6 1HB LYS 6 2.902 17.252 -5.841 43 2HB LYS 6 2HB LYS 6 2.937 17.548 -7.577 44 1HG LYS 6 1HG LYS 6 0.736 17.991 -7.075 45 2HG LYS 6 2HG LYS 6 0.644 16.333 -7.671 46 1HD LYS 6 1HD LYS 6 0.526 15.542 -5.262 47 2HD LYS 6 2HD LYS 6 0.730 17.222 -4.738 48 1HE LYS 6 1HE LYS 6 -1.599 16.613 -4.574 49 2HE LYS 6 2HE LYS 6 -1.409 17.817 -5.856 50 1HZ LYS 6 1HZ LYS 6 -1.681 14.904 -6.260 51 2HZ LYS 6 2HZ LYS 6 -2.847 16.045 -6.523 52 3HZ LYS 6 3HZ LYS 6 -1.513 16.026 -7.456 53 H LEU 7 H LEU 7 4.964 15.210 -9.025 54 HA LEU 7 HA LEU 7 7.167 14.835 -9.112 55 1HB LEU 7 1HB LEU 7 7.175 17.084 -7.051 56 2HB LEU 7 2HB LEU 7 8.566 16.601 -8.023 57 HG LEU 7 HG LEU 7 5.962 17.655 -9.218 58 1HD1 LEU 7 1HD1 LEU 7 7.002 19.363 -7.797 59 2HD1 LEU 7 2HD1 LEU 7 8.557 19.123 -8.622 60 3HD1 LEU 7 3HD1 LEU 7 7.164 19.776 -9.511 61 1HD2 LEU 7 1HD2 LEU 7 8.762 17.278 -10.382 62 2HD2 LEU 7 2HD2 LEU 7 7.327 16.326 -10.827 63 3HD2 LEU 7 3HD2 LEU 7 7.415 18.052 -11.210 64 HA PRO 8 HA PRO 8 7.264 12.437 -5.137 65 1HB PRO 8 1HB PRO 8 6.817 9.892 -6.078 66 2HB PRO 8 2HB PRO 8 5.538 11.032 -5.604 67 1HG PRO 8 1HG PRO 8 6.440 10.338 -8.373 68 2HG PRO 8 2HG PRO 8 4.802 10.667 -7.783 69 1HD PRO 8 1HD PRO 8 6.399 12.566 -9.105 70 2HD PRO 8 2HD PRO 8 5.053 12.928 -8.010 71 H ASP 9 H ASP 9 8.344 10.536 -7.990 72 HA ASP 9 HA ASP 9 10.979 10.170 -6.739 73 1HB ASP 9 1HB ASP 9 9.823 8.210 -7.637 74 2HB ASP 9 2HB ASP 9 9.773 8.947 -9.250 75 H LEU 10 H LEU 10 9.627 11.537 -9.733 76 HA LEU 10 HA LEU 10 10.239 12.881 -11.241 77 1HB LEU 10 1HB LEU 10 11.659 13.834 -8.838 78 2HB LEU 10 2HB LEU 10 12.682 14.116 -10.234 79 HG LEU 10 HG LEU 10 9.842 15.255 -9.814 80 1HD1 LEU 10 1HD1 LEU 10 12.608 16.399 -9.613 81 2HD1 LEU 10 2HD1 LEU 10 11.059 17.289 -9.492 82 3HD1 LEU 10 3HD1 LEU 10 11.468 16.048 -8.286 83 1HD2 LEU 10 1HD2 LEU 10 11.971 15.635 -12.016 84 2HD2 LEU 10 2HD2 LEU 10 10.377 14.910 -12.254 85 3HD2 LEU 10 3HD2 LEU 10 10.507 16.621 -11.844 86 H LYS 11 H LYS 11 12.688 10.704 -10.287 87 HA LYS 11 HA LYS 11 14.228 11.116 -12.783 88 1HB LYS 11 1HB LYS 11 14.473 8.920 -10.685 89 2HB LYS 11 2HB LYS 11 15.351 9.008 -12.186 90 1HG LYS 11 1HG LYS 11 16.881 9.903 -10.733 91 2HG LYS 11 2HG LYS 11 16.198 11.294 -11.557 92 1HD LYS 11 1HD LYS 11 16.506 11.859 -9.288 93 2HD LYS 11 2HD LYS 11 14.767 11.742 -9.510 94 1HE LYS 11 1HE LYS 11 16.396 9.358 -8.487 95 2HE LYS 11 2HE LYS 11 15.970 10.687 -7.400 96 1HZ LYS 11 1HZ LYS 11 13.971 9.098 -8.874 97 2HZ LYS 11 2HZ LYS 11 14.342 8.928 -7.299 98 3HZ LYS 11 3HZ LYS 11 13.685 10.328 -7.857 99 H ASP 12 H ASP 12 11.692 8.996 -11.507 100 HA ASP 12 HA ASP 12 11.677 7.273 -13.868 101 1HB ASP 12 1HB ASP 12 9.693 7.630 -11.577 102 2HB ASP 12 2HB ASP 12 9.525 6.429 -12.866 103 H ALA 13 H ALA 13 10.191 7.225 -15.473 104 HA ALA 13 HA ALA 13 9.240 9.748 -16.458 105 1HB ALA 13 1HB ALA 13 10.092 7.958 -17.944 106 2HB ALA 13 2HB ALA 13 8.736 6.911 -17.469 107 3HB ALA 13 3HB ALA 13 8.430 8.413 -18.370 108 H GLU 14 H GLU 14 7.628 6.922 -15.140 109 HA GLU 14 HA GLU 14 4.945 7.796 -15.519 110 1HB GLU 14 1HB GLU 14 5.672 5.464 -14.768 111 2HB GLU 14 2HB GLU 14 5.906 6.139 -13.146 112 1HG GLU 14 1HG GLU 14 3.446 6.955 -13.348 113 2HG GLU 14 2HG GLU 14 3.341 5.911 -14.763 114 H ALA 15 H ALA 15 7.269 8.378 -12.919 115 HA ALA 15 HA ALA 15 5.554 9.806 -11.107 116 1HB ALA 15 1HB ALA 15 8.580 9.890 -11.490 117 2HB ALA 15 2HB ALA 15 7.716 10.653 -10.160 118 3HB ALA 15 3HB ALA 15 7.668 8.883 -10.337 119 H VAL 16 H VAL 16 7.046 10.668 -14.086 120 HA VAL 16 HA VAL 16 6.749 13.596 -13.599 121 HB VAL 16 HB VAL 16 8.562 11.927 -15.183 122 1HG1 VAL 16 1HG1 VAL 16 7.561 14.420 -16.512 123 2HG1 VAL 16 2HG1 VAL 16 8.977 13.438 -16.970 124 3HG1 VAL 16 3HG1 VAL 16 7.360 12.742 -17.105 125 1HG2 VAL 16 1HG2 VAL 16 9.300 13.103 -13.358 126 2HG2 VAL 16 2HG2 VAL 16 10.112 13.583 -14.860 127 3HG2 VAL 16 3HG2 VAL 16 8.869 14.654 -14.146 128 H GLN 17 H GLN 17 5.433 10.821 -15.377 129 HA GLN 17 HA GLN 17 3.882 12.403 -17.212 130 1HB GLN 17 1HB GLN 17 4.357 10.060 -17.680 131 2HB GLN 17 2HB GLN 17 3.366 9.547 -16.300 132 1HG GLN 17 1HG GLN 17 1.967 11.342 -18.223 133 2HG GLN 17 2HG GLN 17 2.544 9.834 -18.914 134 1HE2 GLN 17 2HE2 GLN 17 0.773 8.516 -19.102 135 2HE2 GLN 17 1HE2 GLN 17 -0.329 8.168 -17.781 136 H LYS 18 H LYS 18 3.116 10.771 -14.140 137 HA LYS 18 HA LYS 18 0.373 11.639 -14.066 138 1HB LYS 18 1HB LYS 18 2.285 10.966 -11.755 139 2HB LYS 18 2HB LYS 18 0.524 11.074 -11.622 140 1HG LYS 18 1HG LYS 18 0.282 9.136 -13.182 141 2HG LYS 18 2HG LYS 18 2.020 8.967 -13.308 142 1HD LYS 18 1HD LYS 18 0.449 8.696 -10.723 143 2HD LYS 18 2HD LYS 18 0.909 7.379 -11.815 144 1HE LYS 18 1HE LYS 18 3.363 8.169 -11.487 145 2HE LYS 18 2HE LYS 18 2.754 9.090 -10.110 146 1HZ LYS 18 1HZ LYS 18 1.899 6.949 -9.261 147 2HZ LYS 18 2HZ LYS 18 2.582 6.188 -10.562 148 3HZ LYS 18 3HZ LYS 18 3.536 6.938 -9.466 149 H PHE 19 H PHE 19 3.246 13.196 -12.635 150 HA PHE 19 HA PHE 19 1.697 15.446 -11.705 151 1HB PHE 19 1HB PHE 19 3.667 15.242 -10.553 152 2HB PHE 19 2HB PHE 19 4.624 14.829 -11.982 153 HD1 PHE 19 HD1 PHE 19 3.086 17.685 -10.118 154 HD2 PHE 19 HD2 PHE 19 5.489 16.466 -13.485 155 HE1 PHE 19 HE1 PHE 19 3.760 20.031 -10.487 156 HE2 PHE 19 HE2 PHE 19 6.134 18.843 -13.841 157 HZ PHE 19 HZ PHE 19 5.334 20.581 -12.437 158 H PHE 20 H PHE 20 3.607 14.905 -14.699 159 HA PHE 20 HA PHE 20 3.543 17.491 -15.760 160 1HB PHE 20 1HB PHE 20 4.882 15.870 -16.791 161 2HB PHE 20 2HB PHE 20 3.513 14.778 -17.091 162 HD1 PHE 20 HD1 PHE 20 4.622 18.237 -17.976 163 HD2 PHE 20 HD2 PHE 20 2.957 14.496 -19.308 164 HE1 PHE 20 HE1 PHE 20 4.625 19.066 -20.324 165 HE2 PHE 20 HE2 PHE 20 2.967 15.324 -21.642 166 HZ PHE 20 HZ PHE 20 3.812 17.593 -22.149 167 H LEU 21 H LEU 21 1.181 14.799 -16.114 168 HA LEU 21 HA LEU 21 -0.777 16.303 -17.560 169 1HB LEU 21 1HB LEU 21 -0.516 13.634 -16.199 170 2HB LEU 21 2HB LEU 21 -2.116 14.287 -16.036 171 HG LEU 21 HG LEU 21 -0.848 13.944 -18.804 172 1HD1 LEU 21 1HD1 LEU 21 -2.435 12.002 -17.093 173 2HD1 LEU 21 2HD1 LEU 21 -2.129 11.808 -18.831 174 3HD1 LEU 21 3HD1 LEU 21 -0.780 11.820 -17.694 175 1HD2 LEU 21 1HD2 LEU 21 -3.656 14.454 -17.725 176 2HD2 LEU 21 2HD2 LEU 21 -2.670 15.526 -18.740 177 3HD2 LEU 21 3HD2 LEU 21 -3.306 14.021 -19.388 178 H GLU 22 H GLU 22 -0.359 15.727 -14.053 179 HA GLU 22 HA GLU 22 -2.775 17.066 -13.365 180 1HB GLU 22 1HB GLU 22 -1.459 15.743 -11.753 181 2HB GLU 22 2HB GLU 22 -0.198 16.996 -11.734 182 1HG GLU 22 1HG GLU 22 -1.760 18.647 -10.857 183 2HG GLU 22 2HG GLU 22 -3.111 17.512 -11.000 184 H GLU 23 H GLU 23 0.379 18.318 -14.385 185 HA GLU 23 HA GLU 23 -0.148 21.008 -13.551 186 1HB GLU 23 1HB GLU 23 2.166 19.898 -13.897 187 2HB GLU 23 2HB GLU 23 1.946 20.447 -15.572 188 1HG GLU 23 1HG GLU 23 2.871 22.348 -14.602 189 2HG GLU 23 2HG GLU 23 1.158 22.716 -14.358 190 H ILE 24 H ILE 24 -0.185 19.232 -16.582 191 HA ILE 24 HA ILE 24 -1.134 21.227 -18.398 192 HB ILE 24 HB ILE 24 -1.143 18.212 -18.303 193 1HG1 ILE 24 1HG1 ILE 24 -0.074 20.199 -20.229 194 2HG1 ILE 24 2HG1 ILE 24 0.579 18.659 -19.663 195 1HG2 ILE 24 1HG2 ILE 24 -3.489 18.314 -18.723 196 2HG2 ILE 24 2HG2 ILE 24 -3.144 19.266 -20.189 197 3HG2 ILE 24 3HG2 ILE 24 -2.585 17.600 -19.996 198 1HD1 ILE 24 1HD1 ILE 24 -1.643 18.911 -21.753 199 2HD1 ILE 24 2HD1 ILE 24 0.060 18.678 -22.050 200 3HD1 ILE 24 3HD1 ILE 24 -0.822 17.438 -21.173 201 H GLN 25 H GLN 25 -3.023 18.993 -16.363 202 HA GLN 25 HA GLN 25 -5.533 20.300 -16.954 203 1HB GLN 25 1HB GLN 25 -4.773 18.505 -14.583 204 2HB GLN 25 2HB GLN 25 -6.404 18.983 -15.050 205 1HG GLN 25 1HG GLN 25 -5.782 17.808 -17.361 206 2HG GLN 25 2HG GLN 25 -4.598 16.961 -16.373 207 1HE2 GLN 25 2HE2 GLN 25 -5.367 15.735 -14.488 208 2HE2 GLN 25 1HE2 GLN 25 -7.004 15.106 -14.501 209 H LEU 26 H LEU 26 -3.223 20.821 -14.383 210 HA LEU 26 HA LEU 26 -4.928 22.490 -12.744 211 1HB LEU 26 1HB LEU 26 -3.172 21.455 -11.691 212 2HB LEU 26 2HB LEU 26 -1.970 22.055 -12.852 213 HG LEU 26 HG LEU 26 -1.662 22.996 -10.724 214 1HD1 LEU 26 1HD1 LEU 26 -1.273 24.423 -12.796 215 2HD1 LEU 26 2HD1 LEU 26 -2.753 25.309 -12.335 216 3HD1 LEU 26 3HD1 LEU 26 -1.400 25.238 -11.214 217 1HD2 LEU 26 1HD2 LEU 26 -3.926 22.837 -9.883 218 2HD2 LEU 26 2HD2 LEU 26 -3.255 24.479 -9.674 219 3HD2 LEU 26 3HD2 LEU 26 -4.439 24.159 -10.977 220 H GLY 27 H GLY 27 -2.413 23.360 -15.187 221 1HA GLY 27 1HA GLY 27 -2.908 26.195 -15.043 222 2HA GLY 27 2HA GLY 27 -2.188 25.350 -16.433 223 H GLU 28 H GLU 28 -4.088 23.737 -17.465 224 HA GLU 28 HA GLU 28 -5.813 25.495 -18.784 225 1HB GLU 28 1HB GLU 28 -5.928 22.520 -18.323 226 2HB GLU 28 2HB GLU 28 -7.028 23.350 -19.439 227 1HG GLU 28 1HG GLU 28 -5.348 23.990 -20.924 228 2HG GLU 28 2HG GLU 28 -4.073 23.973 -19.711 229 H GLU 29 H GLU 29 -6.394 23.807 -15.760 230 HA GLU 29 HA GLU 29 -9.181 24.553 -15.518 231 1HB GLU 29 1HB GLU 29 -8.213 22.709 -14.284 232 2HB GLU 29 2HB GLU 29 -7.184 23.821 -13.349 233 1HG GLU 29 1HG GLU 29 -8.867 23.358 -11.886 234 2HG GLU 29 2HG GLU 29 -9.461 24.862 -12.582 235 H LEU 30 H LEU 30 -6.118 26.041 -14.235 236 HA LEU 30 HA LEU 30 -7.555 28.166 -12.938 237 1HB LEU 30 1HB LEU 30 -4.674 27.796 -13.907 238 2HB LEU 30 2HB LEU 30 -5.205 29.359 -13.319 239 HG LEU 30 HG LEU 30 -5.213 26.826 -11.653 240 1HD1 LEU 30 1HD1 LEU 30 -2.958 27.731 -12.239 241 2HD1 LEU 30 2HD1 LEU 30 -3.435 29.272 -11.485 242 3HD1 LEU 30 3HD1 LEU 30 -3.328 27.796 -10.505 243 1HD2 LEU 30 1HD2 LEU 30 -5.832 29.745 -10.940 244 2HD2 LEU 30 2HD2 LEU 30 -6.964 28.381 -10.823 245 3HD2 LEU 30 3HD2 LEU 30 -5.565 28.459 -9.752 246 H LEU 31 H LEU 31 -6.362 27.798 -16.239 247 HA LEU 31 HA LEU 31 -7.190 30.501 -17.056 248 1HB LEU 31 1HB LEU 31 -6.689 27.883 -18.490 249 2HB LEU 31 2HB LEU 31 -7.180 29.352 -19.344 250 HG LEU 31 HG LEU 31 -5.223 30.481 -18.942 251 1HD1 LEU 31 1HD1 LEU 31 -5.099 30.250 -16.440 252 2HD1 LEU 31 2HD1 LEU 31 -4.171 28.767 -16.708 253 3HD1 LEU 31 3HD1 LEU 31 -3.633 30.315 -17.365 254 1HD2 LEU 31 1HD2 LEU 31 -5.004 28.389 -20.289 255 2HD2 LEU 31 2HD2 LEU 31 -3.468 28.867 -19.514 256 3HD2 LEU 31 3HD2 LEU 31 -4.439 27.545 -18.822 257 H ALA 32 H ALA 32 -8.790 27.410 -16.707 258 HA ALA 32 HA ALA 32 -11.230 28.186 -17.931 259 1HB ALA 32 1HB ALA 32 -10.611 25.815 -17.091 260 2HB ALA 32 2HB ALA 32 -11.195 26.357 -15.500 261 3HB ALA 32 3HB ALA 32 -12.287 26.353 -16.870 262 H GLN 33 H GLN 33 -9.726 29.243 -14.977 263 HA GLN 33 HA GLN 33 -12.183 30.524 -13.972 264 1HB GLN 33 1HB GLN 33 -9.885 29.404 -12.731 265 2HB GLN 33 2HB GLN 33 -9.692 31.156 -12.566 266 1HG GLN 33 1HG GLN 33 -12.039 31.247 -11.642 267 2HG GLN 33 2HG GLN 33 -12.121 29.482 -11.789 268 1HE2 GLN 33 2HE2 GLN 33 -9.923 32.011 -10.384 269 2HE2 GLN 33 1HE2 GLN 33 -9.615 31.124 -8.904 270 H GLY 34 H GLY 34 -9.113 31.122 -15.498 271 1HA GLY 34 1HA GLY 34 -9.161 32.891 -17.246 272 2HA GLY 34 2HA GLY 34 -9.757 34.001 -16.011 273 H ASP 35 H ASP 35 -7.360 31.772 -14.783 274 HA ASP 35 HA ASP 35 -5.548 34.092 -14.557 275 1HB ASP 35 1HB ASP 35 -6.173 32.441 -12.670 276 2HB ASP 35 2HB ASP 35 -4.923 31.416 -13.368 277 H TYR 36 H TYR 36 -5.443 33.872 -17.005 278 HA TYR 36 HA TYR 36 -3.852 32.263 -18.577 279 1HB TYR 36 1HB TYR 36 -3.702 35.267 -18.646 280 2HB TYR 36 2HB TYR 36 -3.590 34.135 -19.987 281 HD1 TYR 36 HD1 TYR 36 -5.872 32.475 -20.009 282 HD2 TYR 36 HD2 TYR 36 -5.642 36.562 -18.650 283 HE1 TYR 36 HE1 TYR 36 -8.301 32.748 -20.408 284 HE2 TYR 36 HE2 TYR 36 -8.063 36.829 -19.052 285 HH TYR 36 HH TYR 36 -10.010 35.821 -19.750 286 H GLU 37 H GLU 37 -2.670 34.736 -16.430 287 HA GLU 37 HA GLU 37 0.040 34.431 -17.264 288 1HB GLU 37 1HB GLU 37 -0.786 36.467 -16.101 289 2HB GLU 37 2HB GLU 37 -0.826 35.559 -14.575 290 1HG GLU 37 1HG GLU 37 1.573 35.220 -14.646 291 2HG GLU 37 2HG GLU 37 1.661 35.742 -16.337 292 H LYS 38 H LYS 38 -1.823 32.975 -14.692 293 HA LYS 38 HA LYS 38 0.415 31.420 -13.711 294 1HB LYS 38 1HB LYS 38 -2.538 31.460 -13.182 295 2HB LYS 38 2HB LYS 38 -1.760 29.923 -12.931 296 1HG LYS 38 1HG LYS 38 -0.610 32.439 -11.666 297 2HG LYS 38 2HG LYS 38 -1.898 31.505 -10.882 298 1HD LYS 38 1HD LYS 38 -0.647 29.511 -10.831 299 2HD LYS 38 2HD LYS 38 0.594 30.119 -11.949 300 1HE LYS 38 1HE LYS 38 1.315 31.729 -10.149 301 2HE LYS 38 2HE LYS 38 0.221 30.863 -9.045 302 1HZ LYS 38 1HZ LYS 38 1.438 28.823 -9.705 303 2HZ LYS 38 2HZ LYS 38 2.494 29.727 -10.562 304 3HZ LYS 38 3HZ LYS 38 2.408 29.919 -8.925 305 H GLY 39 H GLY 39 -1.992 30.895 -16.278 306 1HA GLY 39 1HA GLY 39 -1.321 28.114 -16.678 307 2HA GLY 39 2HA GLY 39 -1.929 29.203 -17.943 308 H VAL 40 H VAL 40 0.208 31.177 -17.762 309 HA VAL 40 HA VAL 40 1.982 29.871 -19.613 310 HB VAL 40 HB VAL 40 2.270 32.535 -18.128 311 1HG1 VAL 40 1HG1 VAL 40 4.000 31.333 -20.284 312 2HG1 VAL 40 2HG1 VAL 40 4.016 33.034 -19.794 313 3HG1 VAL 40 3HG1 VAL 40 4.503 31.794 -18.646 314 1HG2 VAL 40 1HG2 VAL 40 1.530 31.898 -21.034 315 2HG2 VAL 40 2HG2 VAL 40 0.452 32.595 -19.820 316 3HG2 VAL 40 3HG2 VAL 40 1.830 33.509 -20.407 317 H ASP 41 H ASP 41 2.308 30.736 -16.195 318 HA ASP 41 HA ASP 41 4.953 29.733 -15.789 319 1HB ASP 41 1HB ASP 41 4.181 31.204 -14.121 320 2HB ASP 41 2HB ASP 41 2.629 30.377 -13.964 321 H HIS 42 H HIS 42 1.836 28.243 -15.053 322 HA HIS 42 HA HIS 42 2.985 25.745 -14.236 323 1HB HIS 42 1HB HIS 42 0.146 26.551 -14.885 324 2HB HIS 42 2HB HIS 42 0.585 24.895 -14.455 325 HD1 HIS 42 HD1 HIS 42 2.185 24.733 -12.136 326 HD2 HIS 42 HD2 HIS 42 -0.344 28.038 -12.613 327 HE1 HIS 42 HE1 HIS 42 1.870 25.771 -9.845 328 H LEU 43 H LEU 43 1.966 26.945 -17.456 329 HA LEU 43 HA LEU 43 2.254 24.251 -18.534 330 1HB LEU 43 1HB LEU 43 1.083 26.338 -19.696 331 2HB LEU 43 2HB LEU 43 2.727 26.653 -20.275 332 HG LEU 43 HG LEU 43 2.598 24.033 -20.859 333 1HD1 LEU 43 1HD1 LEU 43 0.342 23.741 -19.732 334 2HD1 LEU 43 2HD1 LEU 43 -0.354 24.854 -20.922 335 3HD1 LEU 43 3HD1 LEU 43 0.319 23.302 -21.445 336 1HD2 LEU 43 1HD2 LEU 43 1.161 26.193 -22.455 337 2HD2 LEU 43 2HD2 LEU 43 2.871 25.697 -22.580 338 3HD2 LEU 43 3HD2 LEU 43 1.595 24.587 -23.083 339 H THR 44 H THR 44 4.350 27.154 -18.094 340 HA THR 44 HA THR 44 6.651 26.195 -19.296 341 HB THR 44 HB THR 44 6.568 27.984 -16.875 342 HG1 THR 44 HG1 THR 44 5.579 28.758 -18.782 343 1HG2 THR 44 1HG2 THR 44 8.819 27.294 -18.804 344 2HG2 THR 44 2HG2 THR 44 8.825 28.649 -17.658 345 3HG2 THR 44 3HG2 THR 44 8.800 26.987 -17.051 346 H ASN 45 H ASN 45 5.319 25.412 -16.142 347 HA ASN 45 HA ASN 45 7.529 23.859 -15.109 348 1HB ASN 45 1HB ASN 45 4.604 23.982 -14.353 349 2HB ASN 45 2HB ASN 45 5.680 22.763 -13.684 350 1HD2 ASN 45 2HD2 ASN 45 5.288 26.326 -14.008 351 2HD2 ASN 45 1HD2 ASN 45 6.144 26.714 -12.548 352 H ALA 46 H ALA 46 4.519 23.001 -16.868 353 HA ALA 46 HA ALA 46 4.870 20.249 -16.971 354 1HB ALA 46 1HB ALA 46 2.834 21.535 -17.676 355 2HB ALA 46 2HB ALA 46 3.633 21.879 -19.222 356 3HB ALA 46 3HB ALA 46 3.272 20.219 -18.748 357 H ILE 47 H ILE 47 6.121 22.787 -19.207 358 HA ILE 47 HA ILE 47 7.603 20.981 -20.870 359 HB ILE 47 HB ILE 47 8.008 23.938 -20.398 360 1HG1 ILE 47 1HG1 ILE 47 7.146 24.065 -22.845 361 2HG1 ILE 47 2HG1 ILE 47 6.575 22.399 -22.640 362 1HG2 ILE 47 1HG2 ILE 47 9.462 22.123 -22.255 363 2HG2 ILE 47 2HG2 ILE 47 9.427 23.897 -22.446 364 3HG2 ILE 47 3HG2 ILE 47 10.128 23.198 -21.014 365 1HD1 ILE 47 1HD1 ILE 47 5.796 24.748 -20.907 366 2HD1 ILE 47 2HD1 ILE 47 4.890 24.229 -22.329 367 3HD1 ILE 47 3HD1 ILE 47 5.028 23.117 -20.971 368 H ALA 48 H ALA 48 8.368 22.502 -17.837 369 HA ALA 48 HA ALA 48 11.192 22.123 -17.955 370 1HB ALA 48 1HB ALA 48 10.106 23.694 -16.358 371 2HB ALA 48 2HB ALA 48 9.521 22.293 -15.422 372 3HB ALA 48 3HB ALA 48 11.256 22.577 -15.597 373 H VAL 49 H VAL 49 8.521 20.005 -17.109 374 HA VAL 49 HA VAL 49 10.469 17.916 -16.238 375 HB VAL 49 HB VAL 49 8.647 16.776 -15.344 376 1HG1 VAL 49 1HG1 VAL 49 9.723 18.831 -14.206 377 2HG1 VAL 49 2HG1 VAL 49 8.221 19.689 -14.583 378 3HG1 VAL 49 3HG1 VAL 49 8.194 18.246 -13.539 379 1HG2 VAL 49 1HG2 VAL 49 6.874 17.459 -17.078 380 2HG2 VAL 49 2HG2 VAL 49 6.368 17.361 -15.401 381 3HG2 VAL 49 3HG2 VAL 49 6.684 18.947 -16.122 382 H CYS 50 H CYS 50 8.616 18.869 -19.029 383 HA CYS 50 HA CYS 50 8.622 16.104 -20.120 384 1HB CYS 50 1HB CYS 50 6.684 17.283 -20.545 385 2HB CYS 50 2HB CYS 50 7.541 18.735 -21.114 386 HG CYS 50 HG CYS 50 6.381 17.578 -23.124 387 H GLY 51 H GLY 51 10.174 19.263 -20.891 388 1HA GLY 51 1HA GLY 51 12.193 19.716 -21.852 389 2HA GLY 51 2HA GLY 51 12.603 17.997 -21.815 390 H GLN 52 H GLN 52 9.622 18.915 -23.358 391 HA GLN 52 HA GLN 52 10.696 19.081 -26.156 392 1HB GLN 52 1HB GLN 52 10.242 16.605 -25.245 393 2HB GLN 52 2HB GLN 52 8.575 17.041 -25.591 394 1HG GLN 52 1HG GLN 52 9.409 16.075 -27.583 395 2HG GLN 52 2HG GLN 52 9.459 17.822 -27.904 396 1HE2 GLN 52 2HE2 GLN 52 11.441 18.693 -28.549 397 2HE2 GLN 52 1HE2 GLN 52 12.957 17.822 -28.457 398 HA PRO 53 HA PRO 53 7.299 21.933 -24.673 399 1HB PRO 53 1HB PRO 53 8.236 24.107 -26.227 400 2HB PRO 53 2HB PRO 53 8.569 23.831 -24.510 401 1HG PRO 53 1HG PRO 53 10.303 23.063 -26.856 402 2HG PRO 53 2HG PRO 53 10.784 23.834 -25.318 403 1HD PRO 53 1HD PRO 53 11.160 21.243 -25.613 404 2HD PRO 53 2HD PRO 53 10.443 21.848 -24.109 405 H GLN 54 H GLN 54 8.774 22.123 -27.839 406 HA GLN 54 HA GLN 54 6.434 22.730 -29.301 407 1HB GLN 54 1HB GLN 54 8.943 21.327 -30.340 408 2HB GLN 54 2HB GLN 54 7.743 22.202 -31.304 409 1HG GLN 54 1HG GLN 54 8.371 24.326 -30.043 410 2HG GLN 54 2HG GLN 54 9.688 23.432 -29.274 411 1HE2 GLN 54 2HE2 GLN 54 10.137 25.729 -30.846 412 2HE2 GLN 54 1HE2 GLN 54 11.004 25.228 -32.282 413 H GLN 55 H GLN 55 7.752 19.485 -28.610 414 HA GLN 55 HA GLN 55 5.870 18.180 -30.305 415 1HB GLN 55 1HB GLN 55 7.872 17.042 -29.255 416 2HB GLN 55 2HB GLN 55 7.008 17.064 -27.704 417 1HG GLN 55 1HG GLN 55 6.753 14.897 -28.686 418 2HG GLN 55 2HG GLN 55 5.183 15.702 -28.781 419 1HE2 GLN 55 2HE2 GLN 55 4.608 14.177 -30.508 420 2HE2 GLN 55 1HE2 GLN 55 5.246 14.406 -32.124 421 H LEU 56 H LEU 56 5.699 19.084 -26.858 422 HA LEU 56 HA LEU 56 3.061 18.170 -26.573 423 1HB LEU 56 1HB LEU 56 4.466 18.649 -24.578 424 2HB LEU 56 2HB LEU 56 4.504 20.363 -25.013 425 HG LEU 56 HG LEU 56 1.972 20.407 -24.769 426 1HD1 LEU 56 1HD1 LEU 56 2.159 17.603 -24.656 427 2HD1 LEU 56 2HD1 LEU 56 1.905 18.065 -22.990 428 3HD1 LEU 56 3HD1 LEU 56 0.758 18.595 -24.212 429 1HD2 LEU 56 1HD2 LEU 56 3.760 19.842 -22.412 430 2HD2 LEU 56 2HD2 LEU 56 3.359 21.398 -23.143 431 3HD2 LEU 56 3HD2 LEU 56 2.101 20.480 -22.292 432 H LEU 57 H LEU 57 4.396 21.328 -27.649 433 HA LEU 57 HA LEU 57 1.850 22.626 -27.639 434 1HB LEU 57 1HB LEU 57 4.255 23.267 -29.394 435 2HB LEU 57 2HB LEU 57 2.823 24.275 -29.228 436 HG LEU 57 HG LEU 57 4.842 23.710 -27.007 437 1HD1 LEU 57 1HD1 LEU 57 4.211 26.193 -28.586 438 2HD1 LEU 57 2HD1 LEU 57 5.333 26.080 -27.214 439 3HD1 LEU 57 3HD1 LEU 57 5.671 25.194 -28.713 440 1HD2 LEU 57 1HD2 LEU 57 2.242 25.363 -27.020 441 2HD2 LEU 57 2HD2 LEU 57 2.585 23.976 -25.975 442 3HD2 LEU 57 3HD2 LEU 57 3.480 25.478 -25.762 443 H GLN 58 H GLN 58 3.296 20.565 -30.127 444 HA GLN 58 HA GLN 58 1.163 21.151 -31.999 445 1HB GLN 58 1HB GLN 58 3.033 18.756 -31.692 446 2HB GLN 58 2HB GLN 58 1.924 18.980 -33.057 447 1HG GLN 58 1HG GLN 58 3.055 21.007 -33.753 448 2HG GLN 58 2HG GLN 58 4.063 21.023 -32.307 449 1HE2 GLN 58 2HE2 GLN 58 3.795 19.817 -35.547 450 2HE2 GLN 58 1HE2 GLN 58 5.238 18.823 -35.508 451 H VAL 59 H VAL 59 1.676 18.712 -29.465 452 HA VAL 59 HA VAL 59 -0.732 17.306 -29.961 453 HB VAL 59 HB VAL 59 1.470 16.742 -28.423 454 1HG1 VAL 59 1HG1 VAL 59 -0.790 17.354 -26.409 455 2HG1 VAL 59 2HG1 VAL 59 0.724 16.529 -26.024 456 3HG1 VAL 59 3HG1 VAL 59 0.693 18.220 -26.405 457 1HG2 VAL 59 1HG2 VAL 59 -1.203 15.595 -28.290 458 2HG2 VAL 59 2HG2 VAL 59 0.257 15.090 -29.194 459 3HG2 VAL 59 3HG2 VAL 59 0.224 14.959 -27.429 460 H LEU 60 H LEU 60 -0.061 20.121 -28.005 461 HA LEU 60 HA LEU 60 -2.511 20.149 -26.487 462 1HB LEU 60 1HB LEU 60 -0.626 20.617 -25.395 463 2HB LEU 60 2HB LEU 60 0.000 21.691 -26.658 464 HG LEU 60 HG LEU 60 -1.205 23.365 -26.209 465 1HD1 LEU 60 1HD1 LEU 60 -2.822 21.596 -24.183 466 2HD1 LEU 60 2HD1 LEU 60 -2.965 23.349 -24.164 467 3HD1 LEU 60 3HD1 LEU 60 -3.574 22.439 -25.539 468 1HD2 LEU 60 1HD2 LEU 60 0.616 22.808 -24.693 469 2HD2 LEU 60 2HD2 LEU 60 -0.629 23.756 -23.824 470 3HD2 LEU 60 3HD2 LEU 60 -0.518 21.992 -23.586 471 H GLN 61 H GLN 61 -1.106 21.555 -29.516 472 HA GLN 61 HA GLN 61 -3.210 23.547 -29.672 473 1HB GLN 61 1HB GLN 61 -1.042 24.077 -30.583 474 2HB GLN 61 2HB GLN 61 -1.073 22.687 -31.681 475 1HG GLN 61 1HG GLN 61 -2.739 23.679 -33.083 476 2HG GLN 61 2HG GLN 61 -3.106 24.945 -31.905 477 1HE2 GLN 61 2HE2 GLN 61 -1.055 26.310 -31.234 478 2HE2 GLN 61 1HE2 GLN 61 -0.066 26.810 -32.590 479 H GLN 62 H GLN 62 -2.537 20.375 -31.128 480 HA GLN 62 HA GLN 62 -4.690 20.464 -32.992 481 1HB GLN 62 1HB GLN 62 -4.173 18.265 -33.495 482 2HB GLN 62 2HB GLN 62 -2.635 19.011 -33.029 483 1HG GLN 62 1HG GLN 62 -2.902 17.991 -30.767 484 2HG GLN 62 2HG GLN 62 -4.358 17.143 -31.327 485 1HE2 GLN 62 2HE2 GLN 62 -2.707 15.430 -30.366 486 2HE2 GLN 62 1HE2 GLN 62 -1.743 14.629 -31.592 487 H THR 63 H THR 63 -4.483 19.398 -29.578 488 HA THR 63 HA THR 63 -7.208 18.378 -29.625 489 HB THR 63 HB THR 63 -5.421 17.356 -28.257 490 HG1 THR 63 HG1 THR 63 -7.848 18.272 -27.127 491 1HG2 THR 63 1HG2 THR 63 -4.442 19.436 -27.325 492 2HG2 THR 63 2HG2 THR 63 -5.940 19.715 -26.405 493 3HG2 THR 63 3HG2 THR 63 -4.939 18.311 -26.059 494 H LEU 64 H LEU 64 -5.603 21.390 -28.728 495 HA LEU 64 HA LEU 64 -8.161 22.770 -28.617 496 1HB LEU 64 1HB LEU 64 -8.196 21.665 -26.416 497 2HB LEU 64 2HB LEU 64 -6.572 22.261 -26.090 498 HG LEU 64 HG LEU 64 -7.494 24.618 -26.071 499 1HD1 LEU 64 1HD1 LEU 64 -10.184 23.173 -26.188 500 2HD1 LEU 64 2HD1 LEU 64 -9.930 24.892 -25.823 501 3HD1 LEU 64 3HD1 LEU 64 -9.541 24.270 -27.434 502 1HD2 LEU 64 1HD2 LEU 64 -8.692 22.563 -24.170 503 2HD2 LEU 64 2HD2 LEU 64 -7.097 23.334 -24.030 504 3HD2 LEU 64 3HD2 LEU 64 -8.567 24.311 -23.861 505 HA PRO 65 HA PRO 65 -4.550 25.475 -29.801 506 1HB PRO 65 1HB PRO 65 -5.966 27.525 -30.929 507 2HB PRO 65 2HB PRO 65 -5.492 26.014 -31.752 508 1HG PRO 65 1HG PRO 65 -8.140 26.641 -30.448 509 2HG PRO 65 2HG PRO 65 -7.851 25.935 -32.066 510 1HD PRO 65 1HD PRO 65 -8.466 24.399 -29.960 511 2HD PRO 65 2HD PRO 65 -7.220 23.830 -31.113 512 HA PRO 66 HA PRO 66 -5.537 27.751 -25.920 513 1HB PRO 66 1HB PRO 66 -2.832 27.813 -25.086 514 2HB PRO 66 2HB PRO 66 -4.134 26.757 -24.525 515 1HG PRO 66 1HG PRO 66 -1.894 25.849 -25.969 516 2HG PRO 66 2HG PRO 66 -3.463 25.015 -25.802 517 1HD PRO 66 1HD PRO 66 -2.558 26.773 -28.078 518 2HD PRO 66 2HD PRO 66 -3.343 25.186 -28.100 519 HA PRO 67 HA PRO 67 -4.271 31.681 -27.905 520 1HB PRO 67 1HB PRO 67 -5.611 33.430 -26.258 521 2HB PRO 67 2HB PRO 67 -6.404 32.509 -27.568 522 1HG PRO 67 1HG PRO 67 -6.310 31.819 -24.625 523 2HG PRO 67 2HG PRO 67 -7.733 31.825 -25.706 524 1HD PRO 67 1HD PRO 67 -6.394 29.555 -25.111 525 2HD PRO 67 2HD PRO 67 -7.041 29.805 -26.763 526 H VAL 68 H VAL 68 -4.217 30.711 -24.577 527 HA VAL 68 HA VAL 68 -2.381 32.502 -23.391 528 HB VAL 68 HB VAL 68 -3.135 29.590 -22.790 529 1HG1 VAL 68 1HG1 VAL 68 -1.084 31.327 -21.419 530 2HG1 VAL 68 2HG1 VAL 68 -1.867 29.918 -20.665 531 3HG1 VAL 68 3HG1 VAL 68 -0.875 29.693 -22.100 532 1HG2 VAL 68 1HG2 VAL 68 -4.793 31.430 -22.354 533 2HG2 VAL 68 2HG2 VAL 68 -4.200 30.680 -20.868 534 3HG2 VAL 68 3HG2 VAL 68 -3.570 32.257 -21.363 535 H PHE 69 H PHE 69 -1.902 29.465 -25.169 536 HA PHE 69 HA PHE 69 0.884 29.179 -24.852 537 1HB PHE 69 1HB PHE 69 0.432 27.413 -26.069 538 2HB PHE 69 2HB PHE 69 -1.077 28.074 -26.632 539 HD1 PHE 69 HD1 PHE 69 2.561 27.853 -27.365 540 HD2 PHE 69 HD2 PHE 69 -1.329 28.930 -28.880 541 HE1 PHE 69 HE1 PHE 69 3.480 28.019 -29.676 542 HE2 PHE 69 HE2 PHE 69 -0.407 29.093 -31.161 543 HZ PHE 69 HZ PHE 69 2.006 28.635 -31.565 544 H GLN 70 H GLN 70 -0.846 31.275 -27.101 545 HA GLN 70 HA GLN 70 1.501 32.273 -28.435 546 1HB GLN 70 1HB GLN 70 -0.753 32.478 -29.362 547 2HB GLN 70 2HB GLN 70 -1.198 33.666 -28.135 548 1HG GLN 70 1HG GLN 70 1.250 34.272 -29.774 549 2HG GLN 70 2HG GLN 70 -0.306 34.276 -30.600 550 1HE2 GLN 70 2HE2 GLN 70 1.520 35.852 -27.967 551 2HE2 GLN 70 1HE2 GLN 70 0.500 37.281 -27.921 552 H MET 71 H MET 71 -0.071 33.197 -25.438 553 HA MET 71 HA MET 71 1.528 35.593 -25.024 554 1HB MET 71 1HB MET 71 -0.340 34.207 -23.053 555 2HB MET 71 2HB MET 71 0.285 35.859 -23.007 556 1HG MET 71 1HG MET 71 -0.961 36.115 -25.329 557 2HG MET 71 2HG MET 71 -1.871 34.703 -24.797 558 1HE MET 71 1HE MET 71 -3.445 34.665 -22.693 559 2HE MET 71 2HE MET 71 -2.107 35.209 -21.646 560 3HE MET 71 3HE MET 71 -3.671 36.057 -21.608 561 H LEU 72 H LEU 72 1.709 32.149 -24.230 562 HA LEU 72 HA LEU 72 3.654 32.423 -22.157 563 1HB LEU 72 1HB LEU 72 2.701 30.289 -22.104 564 2HB LEU 72 2HB LEU 72 2.516 30.245 -23.843 565 HG LEU 72 HG LEU 72 4.932 29.841 -24.105 566 1HD1 LEU 72 1HD1 LEU 72 5.676 30.668 -21.808 567 2HD1 LEU 72 2HD1 LEU 72 4.817 29.293 -21.087 568 3HD1 LEU 72 3HD1 LEU 72 6.207 29.012 -22.145 569 1HD2 LEU 72 1HD2 LEU 72 3.312 27.888 -22.455 570 2HD2 LEU 72 2HD2 LEU 72 3.284 28.046 -24.226 571 3HD2 LEU 72 3HD2 LEU 72 4.747 27.456 -23.414 572 H LEU 73 H LEU 73 3.652 32.066 -25.660 573 HA LEU 73 HA LEU 73 6.529 32.084 -25.869 574 1HB LEU 73 1HB LEU 73 4.564 33.124 -27.960 575 2HB LEU 73 2HB LEU 73 6.238 32.643 -28.234 576 HG LEU 73 HG LEU 73 3.862 30.815 -27.739 577 1HD1 LEU 73 1HD1 LEU 73 4.077 31.851 -29.879 578 2HD1 LEU 73 2HD1 LEU 73 5.763 31.291 -30.016 579 3HD1 LEU 73 3HD1 LEU 73 4.424 30.113 -29.981 580 1HD2 LEU 73 1HD2 LEU 73 6.789 30.018 -27.930 581 2HD2 LEU 73 2HD2 LEU 73 5.740 29.822 -26.503 582 3HD2 LEU 73 3HD2 LEU 73 5.390 28.922 -27.981 583 H THR 74 H THR 74 4.303 34.622 -25.469 584 HA THR 74 HA THR 74 6.323 36.643 -26.149 585 HB THR 74 HB THR 74 3.777 36.717 -26.757 586 HG1 THR 74 HG1 THR 74 5.391 38.130 -27.432 587 1HG2 THR 74 1HG2 THR 74 3.143 36.919 -24.290 588 2HG2 THR 74 2HG2 THR 74 3.967 38.486 -24.297 589 3HG2 THR 74 3HG2 THR 74 2.557 38.212 -25.357 590 H LYS 75 H LYS 75 5.048 34.990 -23.307 591 HA LYS 75 HA LYS 75 6.013 37.035 -21.460 592 1HB LYS 75 1HB LYS 75 4.814 34.301 -21.396 593 2HB LYS 75 2HB LYS 75 5.686 34.803 -19.964 594 1HG LYS 75 1HG LYS 75 3.478 36.494 -21.213 595 2HG LYS 75 2HG LYS 75 3.132 35.232 -20.039 596 1HD LYS 75 1HD LYS 75 4.856 37.664 -19.480 597 2HD LYS 75 2HD LYS 75 3.166 37.417 -18.999 598 1HE LYS 75 1HE LYS 75 3.870 35.407 -17.667 599 2HE LYS 75 2HE LYS 75 5.563 35.809 -18.019 600 1HZ LYS 75 1HZ LYS 75 5.201 37.933 -16.959 601 2HZ LYS 75 2HZ LYS 75 3.657 37.508 -16.565 602 3HZ LYS 75 3HZ LYS 75 4.913 36.678 -15.933 603 H LEU 76 H LEU 76 7.283 34.048 -22.892 604 HA LEU 76 HA LEU 76 9.489 33.646 -21.177 605 1HB LEU 76 1HB LEU 76 8.942 32.989 -24.080 606 2HB LEU 76 2HB LEU 76 10.471 32.528 -23.314 607 HG LEU 76 HG LEU 76 7.701 31.633 -22.322 608 1HD1 LEU 76 1HD1 LEU 76 9.564 30.288 -24.290 609 2HD1 LEU 76 2HD1 LEU 76 8.108 29.571 -23.556 610 3HD1 LEU 76 3HD1 LEU 76 7.960 30.963 -24.629 611 1HD2 LEU 76 1HD2 LEU 76 10.503 30.508 -21.893 612 2HD2 LEU 76 2HD2 LEU 76 9.556 31.395 -20.675 613 3HD2 LEU 76 3HD2 LEU 76 8.984 29.828 -21.271 614 HA PRO 77 HA PRO 77 12.316 36.650 -23.376 615 1HB PRO 77 1HB PRO 77 11.874 37.730 -25.781 616 2HB PRO 77 2HB PRO 77 12.160 35.977 -25.670 617 1HG PRO 77 1HG PRO 77 9.437 37.356 -25.730 618 2HG PRO 77 2HG PRO 77 10.026 36.077 -26.834 619 1HD PRO 77 1HD PRO 77 8.588 35.482 -24.554 620 2HD PRO 77 2HD PRO 77 9.939 34.455 -25.158 621 H THR 78 H THR 78 12.167 39.221 -24.257 622 HA THR 78 HA THR 78 9.771 40.631 -23.424 623 HB THR 78 HB THR 78 12.286 40.454 -21.727 624 HG1 THR 78 HG1 THR 78 10.159 39.375 -21.342 625 1HG2 THR 78 1HG2 THR 78 10.386 42.809 -21.897 626 2HG2 THR 78 2HG2 THR 78 11.502 42.488 -20.536 627 3HG2 THR 78 3HG2 THR 78 12.154 42.823 -22.148 628 H ILE 79 H ILE 79 13.279 40.840 -24.096 629 HA ILE 79 HA ILE 79 13.267 43.454 -25.187 630 HB ILE 79 HB ILE 79 15.149 41.099 -25.774 631 1HG1 ILE 79 1HG1 ILE 79 16.727 42.410 -24.253 632 2HG1 ILE 79 2HG1 ILE 79 15.323 43.314 -23.678 633 1HG2 ILE 79 1HG2 ILE 79 15.479 44.070 -26.316 634 2HG2 ILE 79 2HG2 ILE 79 16.778 42.867 -26.448 635 3HG2 ILE 79 3HG2 ILE 79 15.384 42.752 -27.510 636 1HD1 ILE 79 1HD1 ILE 79 15.488 40.262 -23.599 637 2HD1 ILE 79 2HD1 ILE 79 16.175 41.283 -22.326 638 3HD1 ILE 79 3HD1 ILE 79 14.440 41.330 -22.625 639 H SER 80 H SER 80 12.842 40.309 -26.660 640 HA SER 80 HA SER 80 12.835 41.005 -29.359 641 1HB SER 80 1HB SER 80 11.400 39.021 -29.734 642 2HB SER 80 2HB SER 80 12.715 38.687 -28.594 643 HG SER 80 HG SER 80 9.971 39.110 -28.045 644 H GLN 81 H GLN 81 10.126 41.145 -27.058 645 HA GLN 81 HA GLN 81 8.068 41.970 -28.728 646 1HB GLN 81 1HB GLN 81 8.082 41.293 -26.238 647 2HB GLN 81 2HB GLN 81 8.431 42.990 -25.889 648 1HG GLN 81 1HG GLN 81 6.005 41.882 -27.363 649 2HG GLN 81 2HG GLN 81 6.042 42.445 -25.687 650 1HE2 GLN 81 2HE2 GLN 81 4.876 43.370 -28.567 651 2HE2 GLN 81 1HE2 GLN 81 5.160 45.101 -28.511 652 H ARG 82 H ARG 82 10.479 43.856 -27.002 653 HA ARG 82 HA ARG 82 9.576 46.437 -27.747 654 1HB ARG 82 1HB ARG 82 11.210 45.880 -25.892 655 2HB ARG 82 2HB ARG 82 12.477 45.767 -27.132 656 1HG ARG 82 1HG ARG 82 11.994 48.106 -27.815 657 2HG ARG 82 2HG ARG 82 10.733 48.197 -26.566 658 1HD ARG 82 1HD ARG 82 12.448 47.718 -24.826 659 2HD ARG 82 2HD ARG 82 13.698 47.668 -26.093 660 HE ARG 82 HE ARG 82 12.280 50.127 -26.281 661 1HH1 ARG 82 1HH1 ARG 82 14.565 48.490 -24.132 662 2HH1 ARG 82 2HH1 ARG 82 15.261 49.961 -23.510 663 1HH2 ARG 82 1HH2 ARG 82 13.184 52.078 -25.464 664 2HH2 ARG 82 2HH2 ARG 82 14.459 52.030 -24.281 665 H ILE 83 H ILE 83 12.026 44.292 -29.404 666 HA ILE 83 HA ILE 83 12.721 46.289 -31.291 667 HB ILE 83 HB ILE 83 12.715 43.310 -31.955 668 1HG1 ILE 83 1HG1 ILE 83 13.613 43.103 -29.957 669 2HG1 ILE 83 2HG1 ILE 83 14.958 43.125 -31.113 670 1HG2 ILE 83 1HG2 ILE 83 13.363 44.854 -33.780 671 2HG2 ILE 83 2HG2 ILE 83 14.682 45.477 -32.770 672 3HG2 ILE 83 3HG2 ILE 83 14.675 43.785 -33.294 673 1HD1 ILE 83 1HD1 ILE 83 15.374 45.516 -30.429 674 2HD1 ILE 83 2HD1 ILE 83 14.181 45.275 -29.117 675 3HD1 ILE 83 3HD1 ILE 83 15.650 44.291 -29.169 676 H VAL 84 H VAL 84 10.444 43.554 -31.423 677 HA VAL 84 HA VAL 84 9.456 44.021 -34.037 678 HB VAL 84 HB VAL 84 7.985 42.886 -31.616 679 1HG1 VAL 84 1HG1 VAL 84 7.241 42.749 -34.568 680 2HG1 VAL 84 2HG1 VAL 84 6.495 41.772 -33.286 681 3HG1 VAL 84 3HG1 VAL 84 6.308 43.527 -33.268 682 1HG2 VAL 84 1HG2 VAL 84 10.033 41.574 -32.322 683 2HG2 VAL 84 2HG2 VAL 84 8.525 40.679 -32.531 684 3HG2 VAL 84 3HG2 VAL 84 9.322 41.412 -33.935 685 H SER 85 H SER 85 8.461 45.570 -31.053 686 HA SER 85 HA SER 85 6.374 47.104 -32.315 687 1HB SER 85 1HB SER 85 7.758 47.535 -29.644 688 2HB SER 85 2HB SER 85 6.204 48.230 -30.163 689 HG SER 85 HG SER 85 6.840 45.508 -29.689 690 H ALA 86 H ALA 86 8.682 47.426 -33.822 691 HA ALA 86 HA ALA 86 8.880 50.236 -34.127 692 1HB ALA 86 1HB ALA 86 11.336 48.873 -32.906 693 2HB ALA 86 2HB ALA 86 11.325 50.492 -33.632 694 3HB ALA 86 3HB ALA 86 10.388 50.177 -32.167 695 H GLN 87 H GLN 87 10.603 47.184 -34.553 696 HA GLN 87 HA GLN 87 12.116 47.322 -36.704 697 1HB GLN 87 1HB GLN 87 11.586 45.211 -35.486 698 2HB GLN 87 2HB GLN 87 10.033 45.128 -36.320 699 1HG GLN 87 1HG GLN 87 11.641 43.625 -37.343 700 2HG GLN 87 2HG GLN 87 11.190 44.886 -38.489 701 1HE2 GLN 87 2HE2 GLN 87 13.688 44.183 -35.955 702 2HE2 GLN 87 1HE2 GLN 87 15.012 44.896 -36.855 703 H SER 88 H SER 88 8.805 46.823 -37.006 704 HA SER 88 HA SER 88 8.632 48.275 -39.587 705 1HB SER 88 1HB SER 88 8.741 45.744 -39.982 706 2HB SER 88 2HB SER 88 7.141 45.649 -39.209 707 HG SER 88 HG SER 88 6.994 45.892 -41.483 708 H LEU 89 H LEU 89 8.197 49.358 -37.221 709 HA LEU 89 HA LEU 89 6.796 50.220 -35.693 710 1HB LEU 89 1HB LEU 89 5.240 51.854 -36.724 711 2HB LEU 89 2HB LEU 89 6.920 51.869 -37.237 712 HG LEU 89 HG LEU 89 6.280 50.644 -39.342 713 1HD1 LEU 89 1HD1 LEU 89 3.447 51.353 -38.433 714 2HD1 LEU 89 2HD1 LEU 89 3.901 50.833 -40.068 715 3HD1 LEU 89 3HD1 LEU 89 4.071 49.716 -38.719 716 1HD2 LEU 89 1HD2 LEU 89 6.705 53.057 -39.257 717 2HD2 LEU 89 2HD2 LEU 89 5.420 52.680 -40.415 718 3HD2 LEU 89 3HD2 LEU 89 5.008 53.355 -38.823 719 H GLY 90 H GLY 90 6.284 47.661 -35.633 720 1HA GLY 90 1HA GLY 90 4.781 46.368 -34.427 721 2HA GLY 90 2HA GLY 90 3.541 47.618 -34.571 722 H GLU 91 H GLU 91 2.458 47.824 -36.749 723 HA GLU 91 HA GLU 91 1.846 45.161 -37.709 724 1HB GLU 91 1HB GLU 91 0.041 46.747 -37.341 725 2HB GLU 91 2HB GLU 91 0.696 47.815 -38.611 726 1HG GLU 91 1HG GLU 91 -1.204 46.468 -39.411 727 2HG GLU 91 2HG GLU 91 0.267 46.087 -40.306 728 H ASP 92 H ASP 92 2.545 44.295 -39.728 729 HA ASP 92 HA ASP 92 4.699 45.736 -41.050 730 1HB ASP 92 1HB ASP 92 4.776 43.276 -40.471 731 2HB ASP 92 2HB ASP 92 3.590 42.990 -41.758 732 H ASP 93 H ASP 93 4.828 45.987 -43.487 733 HA ASP 93 HA ASP 93 2.219 46.887 -44.546 734 1HB ASP 93 1HB ASP 93 3.432 48.252 -46.013 735 2HB ASP 93 2HB ASP 93 4.270 48.373 -44.467 736 H VAL 94 H VAL 94 2.439 46.734 -47.173 737 HA VAL 94 HA VAL 94 3.111 43.997 -48.034 738 HB VAL 94 HB VAL 94 0.336 45.249 -48.328 739 1HG1 VAL 94 1HG1 VAL 94 1.468 42.616 -49.377 740 2HG1 VAL 94 2HG1 VAL 94 -0.244 43.086 -49.429 741 3HG1 VAL 94 3HG1 VAL 94 0.942 44.005 -50.355 742 1HG2 VAL 94 1HG2 VAL 94 1.253 42.792 -46.768 743 2HG2 VAL 94 2HG2 VAL 94 0.574 44.288 -46.086 744 3HG2 VAL 94 3HG2 VAL 94 -0.440 43.235 -47.071 745 H GLU 95 H GLU 95 3.919 44.043 -50.073 746 HA GLU 95 HA GLU 95 4.245 46.627 -51.420 747 1HB GLU 95 1HB GLU 95 6.120 45.013 -51.078 748 2HB GLU 95 2HB GLU 95 5.280 43.845 -52.119 749 1HG GLU 95 1HG GLU 95 5.415 45.438 -54.011 750 2HG GLU 95 2HG GLU 95 6.195 46.632 -52.962 751 1H GLY 1 1H GLY 1 -16.110 17.160 -17.990 752 2H GLY 1 2H GLY 1 -17.110 15.848 -18.143 753 3H GLY 1 3H GLY 1 -16.210 16.070 -16.770 754 1HA GLY 1 1HA GLY 1 -15.223 14.371 -18.115 755 2HA GLY 1 2HA GLY 1 -15.133 15.553 -19.444 756 HA PRO 2 HA PRO 2 -11.299 15.836 -16.681 757 1HB PRO 2 1HB PRO 2 -9.371 14.937 -18.380 758 2HB PRO 2 2HB PRO 2 -10.394 13.820 -17.434 759 1HG PRO 2 1HG PRO 2 -10.826 14.702 -20.304 760 2HG PRO 2 2HG PRO 2 -10.789 13.029 -19.673 761 1HD PRO 2 1HD PRO 2 -13.132 14.364 -20.038 762 2HD PRO 2 2HD PRO 2 -12.908 13.300 -18.618 763 H ARG 3 H ARG 3 -9.597 17.444 -16.928 764 HA ARG 3 HA ARG 3 -10.342 19.599 -18.797 765 1HB ARG 3 1HB ARG 3 -8.232 19.459 -16.631 766 2HB ARG 3 2HB ARG 3 -8.710 20.901 -17.532 767 1HG ARG 3 1HG ARG 3 -10.310 21.325 -16.020 768 2HG ARG 3 2HG ARG 3 -11.150 19.849 -16.497 769 1HD ARG 3 1HD ARG 3 -10.748 19.888 -14.103 770 2HD ARG 3 2HD ARG 3 -9.811 18.562 -14.834 771 HE ARG 3 HE ARG 3 -8.064 20.684 -14.875 772 1HH1 ARG 3 1HH1 ARG 3 -9.963 19.308 -12.233 773 2HH1 ARG 3 2HH1 ARG 3 -8.796 19.711 -11.004 774 1HH2 ARG 3 1HH2 ARG 3 -6.621 21.318 -13.303 775 2HH2 ARG 3 2HH2 ARG 3 -6.825 20.855 -11.630 776 H LEU 4 H LEU 4 -9.775 18.168 -20.608 777 HA LEU 4 HA LEU 4 -8.547 17.728 -22.424 778 1HB LEU 4 1HB LEU 4 -7.914 19.966 -22.461 779 2HB LEU 4 2HB LEU 4 -6.680 19.768 -21.238 780 HG LEU 4 HG LEU 4 -6.486 18.521 -24.006 781 1HD1 LEU 4 1HD1 LEU 4 -5.335 21.100 -22.859 782 2HD1 LEU 4 2HD1 LEU 4 -4.913 20.426 -24.433 783 3HD1 LEU 4 3HD1 LEU 4 -6.570 20.974 -24.119 784 1HD2 LEU 4 1HD2 LEU 4 -4.596 18.777 -21.650 785 2HD2 LEU 4 2HD2 LEU 4 -4.853 17.361 -22.682 786 3HD2 LEU 4 3HD2 LEU 4 -3.931 18.732 -23.279 787 H SER 5 H SER 5 -7.911 15.765 -22.703 788 HA SER 5 HA SER 5 -5.322 14.835 -21.943 789 1HB SER 5 1HB SER 5 -6.046 12.882 -20.575 790 2HB SER 5 2HB SER 5 -6.206 14.441 -19.767 791 HG SER 5 HG SER 5 -8.415 14.439 -20.303 792 H ARG 6 H ARG 6 -7.216 15.191 -24.283 793 HA ARG 6 HA ARG 6 -7.663 12.468 -25.264 794 1HB ARG 6 1HB ARG 6 -7.921 15.134 -26.699 795 2HB ARG 6 2HB ARG 6 -8.591 13.573 -27.198 796 1HG ARG 6 1HG ARG 6 -10.010 13.579 -25.117 797 2HG ARG 6 2HG ARG 6 -9.405 15.208 -24.753 798 1HD ARG 6 1HD ARG 6 -10.193 15.967 -27.010 799 2HD ARG 6 2HD ARG 6 -10.972 14.405 -27.250 800 HE ARG 6 HE ARG 6 -11.864 16.655 -25.662 801 1HH1 ARG 6 1HH1 ARG 6 -12.050 13.123 -25.829 802 2HH1 ARG 6 2HH1 ARG 6 -13.576 13.023 -24.994 803 1HH2 ARG 6 1HH2 ARG 6 -13.868 16.534 -24.567 804 2HH2 ARG 6 2HH2 ARG 6 -14.614 14.992 -24.260 805 H LEU 7 H LEU 7 -5.018 12.805 -24.586 806 HA LEU 7 HA LEU 7 -3.562 12.002 -26.883 807 1HB LEU 7 1HB LEU 7 -2.016 13.716 -27.215 808 2HB LEU 7 2HB LEU 7 -3.608 14.287 -27.631 809 HG LEU 7 HG LEU 7 -2.493 16.092 -26.781 810 1HD1 LEU 7 1HD1 LEU 7 -4.659 16.174 -26.042 811 2HD1 LEU 7 2HD1 LEU 7 -4.281 15.315 -24.543 812 3HD1 LEU 7 3HD1 LEU 7 -3.551 16.906 -24.851 813 1HD2 LEU 7 1HD2 LEU 7 -0.609 14.869 -25.539 814 2HD2 LEU 7 2HD2 LEU 7 -1.231 16.302 -24.690 815 3HD2 LEU 7 3HD2 LEU 7 -1.731 14.723 -24.243 816 H LEU 8 H LEU 8 -3.354 13.392 -23.605 817 HA LEU 8 HA LEU 8 -0.786 12.416 -23.114 818 1HB LEU 8 1HB LEU 8 -2.935 13.050 -21.169 819 2HB LEU 8 2HB LEU 8 -1.249 12.688 -20.744 820 HG LEU 8 HG LEU 8 -1.312 14.989 -20.599 821 1HD1 LEU 8 1HD1 LEU 8 0.017 14.380 -23.229 822 2HD1 LEU 8 2HD1 LEU 8 0.064 15.933 -22.445 823 3HD1 LEU 8 3HD1 LEU 8 0.675 14.499 -21.615 824 1HD2 LEU 8 1HD2 LEU 8 -3.264 15.020 -22.773 825 2HD2 LEU 8 2HD2 LEU 8 -3.235 15.853 -21.256 826 3HD2 LEU 8 3HD2 LEU 8 -2.241 16.438 -22.593 827 H SER 9 H SER 9 -3.534 10.422 -23.422 828 HA SER 9 HA SER 9 -2.690 8.288 -21.704 829 1HB SER 9 1HB SER 9 -4.250 8.144 -24.319 830 2HB SER 9 2HB SER 9 -4.258 6.962 -22.993 831 HG SER 9 HG SER 9 -6.057 8.408 -22.924 832 H TYR 10 H TYR 10 -1.383 9.592 -24.620 833 HA TYR 10 HA TYR 10 -0.252 7.284 -25.842 834 1HB TYR 10 1HB TYR 10 0.805 8.871 -27.259 835 2HB TYR 10 2HB TYR 10 -0.826 9.436 -26.955 836 HD1 TYR 10 HD1 TYR 10 0.620 10.531 -23.961 837 HD2 TYR 10 HD2 TYR 10 0.942 11.254 -28.216 838 HE1 TYR 10 HE1 TYR 10 1.531 12.691 -23.496 839 HE2 TYR 10 HE2 TYR 10 1.870 13.470 -27.719 840 HH TYR 10 HH TYR 10 2.511 14.975 -26.097 841 H ALA 11 H ALA 11 0.617 8.604 -22.855 842 HA ALA 11 HA ALA 11 3.328 7.488 -22.971 843 1HB ALA 11 1HB ALA 11 3.557 9.841 -23.826 844 2HB ALA 11 2HB ALA 11 2.712 10.434 -22.387 845 3HB ALA 11 3HB ALA 11 4.305 9.666 -22.225 Start of MODEL 19 1 1H ARG 1 1H ARG 1 1.324 15.409 10.585 2 2H ARG 1 2H ARG 1 1.998 16.124 11.910 3 3H ARG 1 3H ARG 1 2.750 16.220 10.453 4 HA ARG 1 HA ARG 1 3.899 14.667 11.750 5 1HB ARG 1 1HB ARG 1 2.791 12.687 12.686 6 2HB ARG 1 2HB ARG 1 2.179 14.195 13.365 7 1HG ARG 1 1HG ARG 1 0.158 14.059 11.928 8 2HG ARG 1 2HG ARG 1 0.767 12.555 11.207 9 1HD ARG 1 1HD ARG 1 0.765 11.495 13.448 10 2HD ARG 1 2HD ARG 1 0.114 12.996 14.146 11 HE ARG 1 HE ARG 1 -1.554 12.178 11.992 12 1HH1 ARG 1 1HH1 ARG 1 -0.690 11.140 15.267 13 2HH1 ARG 1 2HH1 ARG 1 -2.213 10.353 15.571 14 1HH2 ARG 1 1HH2 ARG 1 -3.568 11.141 12.387 15 2HH2 ARG 1 2HH2 ARG 1 -3.866 10.356 13.910 16 H ALA 2 H ALA 2 3.605 15.218 8.987 17 HA ALA 2 HA ALA 2 4.509 12.778 7.825 18 1HB ALA 2 1HB ALA 2 1.792 13.869 6.933 19 2HB ALA 2 2HB ALA 2 2.720 12.608 6.098 20 3HB ALA 2 3HB ALA 2 2.064 12.293 7.707 21 H GLY 3 H GLY 3 4.782 13.293 5.332 22 1HA GLY 3 1HA GLY 3 5.165 16.180 4.776 23 2HA GLY 3 2HA GLY 3 6.577 15.106 4.740 24 H LEU 4 H LEU 4 4.427 16.549 2.757 25 HA LEU 4 HA LEU 4 4.850 14.663 0.578 26 1HB LEU 4 1HB LEU 4 2.132 15.398 1.722 27 2HB LEU 4 2HB LEU 4 2.299 15.141 -0.009 28 HG LEU 4 HG LEU 4 2.834 12.996 2.089 29 1HD1 LEU 4 1HD1 LEU 4 0.495 13.716 1.835 30 2HD1 LEU 4 2HD1 LEU 4 0.611 13.487 0.073 31 3HD1 LEU 4 3HD1 LEU 4 0.753 12.086 1.166 32 1HD2 LEU 4 1HD2 LEU 4 2.801 12.914 -0.990 33 2HD2 LEU 4 2HD2 LEU 4 4.208 12.559 0.037 34 3HD2 LEU 4 3HD2 LEU 4 2.801 11.489 0.056 35 H SER 5 H SER 5 4.291 15.570 -1.469 36 HA SER 5 HA SER 5 3.506 18.147 -1.984 37 1HB SER 5 1HB SER 5 5.768 19.087 -2.735 38 2HB SER 5 2HB SER 5 5.563 19.014 -0.983 39 HG SER 5 HG SER 5 6.713 17.004 -1.050 40 H LYS 6 H LYS 6 3.614 18.542 -4.290 41 HA LYS 6 HA LYS 6 3.477 16.116 -5.870 42 1HB LYS 6 1HB LYS 6 3.543 19.026 -6.820 43 2HB LYS 6 2HB LYS 6 2.896 17.617 -7.675 44 1HG LYS 6 1HG LYS 6 1.088 17.433 -5.944 45 2HG LYS 6 2HG LYS 6 1.661 18.958 -5.226 46 1HD LYS 6 1HD LYS 6 1.284 20.141 -7.342 47 2HD LYS 6 2HD LYS 6 0.912 18.617 -8.154 48 1HE LYS 6 1HE LYS 6 -1.178 19.649 -7.778 49 2HE LYS 6 2HE LYS 6 -1.061 18.298 -6.638 50 1HZ LYS 6 1HZ LYS 6 -0.595 21.132 -6.017 51 2HZ LYS 6 2HZ LYS 6 -1.930 20.251 -5.623 52 3HZ LYS 6 3HZ LYS 6 -0.476 19.887 -4.938 53 H LEU 7 H LEU 7 4.586 16.525 -8.280 54 HA LEU 7 HA LEU 7 6.248 16.073 -9.369 55 1HB LEU 7 1HB LEU 7 6.428 18.666 -8.790 56 2HB LEU 7 2HB LEU 7 7.902 18.227 -7.960 57 HG LEU 7 HG LEU 7 7.212 18.350 -10.848 58 1HD1 LEU 7 1HD1 LEU 7 8.483 20.113 -9.723 59 2HD1 LEU 7 2HD1 LEU 7 9.774 18.949 -9.349 60 3HD1 LEU 7 3HD1 LEU 7 9.411 19.368 -11.038 61 1HD2 LEU 7 1HD2 LEU 7 9.379 16.425 -9.918 62 2HD2 LEU 7 2HD2 LEU 7 7.915 15.994 -10.831 63 3HD2 LEU 7 3HD2 LEU 7 9.148 16.994 -11.579 64 HA PRO 8 HA PRO 8 8.517 13.545 -6.231 65 1HB PRO 8 1HB PRO 8 7.947 11.063 -7.204 66 2HB PRO 8 2HB PRO 8 6.737 12.031 -6.323 67 1HG PRO 8 1HG PRO 8 7.121 11.904 -9.327 68 2HG PRO 8 2HG PRO 8 5.609 11.550 -8.414 69 1HD PRO 8 1HD PRO 8 6.102 13.946 -9.524 70 2HD PRO 8 2HD PRO 8 5.322 13.857 -7.913 71 H ASP 9 H ASP 9 10.000 11.381 -7.095 72 HA ASP 9 HA ASP 9 12.266 12.402 -8.027 73 1HB ASP 9 1HB ASP 9 11.202 9.584 -8.440 74 2HB ASP 9 2HB ASP 9 12.900 10.044 -8.624 75 H LEU 10 H LEU 10 13.449 12.442 -10.014 76 HA LEU 10 HA LEU 10 11.893 12.627 -12.526 77 1HB LEU 10 1HB LEU 10 14.442 13.820 -11.418 78 2HB LEU 10 2HB LEU 10 14.272 13.651 -13.160 79 HG LEU 10 HG LEU 10 13.636 15.887 -12.121 80 1HD1 LEU 10 1HD1 LEU 10 11.730 14.450 -14.001 81 2HD1 LEU 10 2HD1 LEU 10 11.733 16.200 -13.714 82 3HD1 LEU 10 3HD1 LEU 10 13.153 15.409 -14.423 83 1HD2 LEU 10 1HD2 LEU 10 12.200 15.029 -10.256 84 2HD2 LEU 10 2HD2 LEU 10 11.403 16.218 -11.296 85 3HD2 LEU 10 3HD2 LEU 10 10.999 14.507 -11.458 86 H LYS 11 H LYS 11 14.058 10.569 -10.811 87 HA LYS 11 HA LYS 11 15.315 9.289 -13.075 88 1HB LYS 11 1HB LYS 11 14.800 8.553 -10.167 89 2HB LYS 11 2HB LYS 11 15.307 7.319 -11.320 90 1HG LYS 11 1HG LYS 11 17.233 8.187 -10.162 91 2HG LYS 11 2HG LYS 11 17.324 8.526 -11.895 92 1HD LYS 11 1HD LYS 11 16.658 10.870 -11.498 93 2HD LYS 11 2HD LYS 11 16.463 10.530 -9.760 94 1HE LYS 11 1HE LYS 11 18.883 9.975 -9.608 95 2HE LYS 11 2HE LYS 11 19.068 10.281 -11.346 96 1HZ LYS 11 1HZ LYS 11 18.440 12.554 -10.952 97 2HZ LYS 11 2HZ LYS 11 18.265 12.273 -9.337 98 3HZ LYS 11 3HZ LYS 11 19.747 12.147 -10.039 99 H ASP 12 H ASP 12 12.229 8.989 -11.301 100 HA ASP 12 HA ASP 12 11.304 6.813 -13.085 101 1HB ASP 12 1HB ASP 12 9.879 8.298 -10.872 102 2HB ASP 12 2HB ASP 12 9.271 6.904 -11.795 103 H ALA 13 H ALA 13 9.939 7.170 -14.707 104 HA ALA 13 HA ALA 13 9.388 9.960 -15.537 105 1HB ALA 13 1HB ALA 13 10.436 8.415 -17.187 106 2HB ALA 13 2HB ALA 13 9.049 7.314 -17.037 107 3HB ALA 13 3HB ALA 13 8.826 8.937 -17.729 108 H GLU 14 H GLU 14 7.694 6.968 -14.909 109 HA GLU 14 HA GLU 14 5.054 7.711 -15.481 110 1HB GLU 14 1HB GLU 14 6.107 5.816 -13.315 111 2HB GLU 14 2HB GLU 14 4.438 5.926 -13.883 112 1HG GLU 14 1HG GLU 14 5.359 4.065 -14.983 113 2HG GLU 14 2HG GLU 14 5.216 5.336 -16.200 114 H ALA 15 H ALA 15 6.903 8.037 -12.479 115 HA ALA 15 HA ALA 15 4.906 9.126 -10.791 116 1HB ALA 15 1HB ALA 15 7.245 8.221 -10.178 117 2HB ALA 15 2HB ALA 15 7.885 9.792 -10.710 118 3HB ALA 15 3HB ALA 15 6.748 9.697 -9.353 119 H VAL 16 H VAL 16 7.019 10.525 -13.187 120 HA VAL 16 HA VAL 16 6.432 13.333 -12.504 121 HB VAL 16 HB VAL 16 8.450 11.926 -14.058 122 1HG1 VAL 16 1HG1 VAL 16 7.448 14.496 -15.253 123 2HG1 VAL 16 2HG1 VAL 16 8.965 13.651 -15.635 124 3HG1 VAL 16 3HG1 VAL 16 7.423 12.887 -16.030 125 1HG2 VAL 16 1HG2 VAL 16 8.801 13.051 -12.005 126 2HG2 VAL 16 2HG2 VAL 16 9.848 13.506 -13.362 127 3HG2 VAL 16 3HG2 VAL 16 8.526 14.604 -12.863 128 H GLN 17 H GLN 17 5.408 10.800 -14.745 129 HA GLN 17 HA GLN 17 4.072 12.450 -16.634 130 1HB GLN 17 1HB GLN 17 4.565 9.951 -16.881 131 2HB GLN 17 2HB GLN 17 3.134 9.667 -15.858 132 1HG GLN 17 1HG GLN 17 1.729 10.861 -17.493 133 2HG GLN 17 2HG GLN 17 3.163 11.203 -18.480 134 1HE2 GLN 17 2HE2 GLN 17 1.760 10.064 -20.163 135 2HE2 GLN 17 1HE2 GLN 17 1.947 8.327 -20.276 136 H LYS 18 H LYS 18 3.121 10.971 -13.559 137 HA LYS 18 HA LYS 18 0.356 11.722 -13.629 138 1HB LYS 18 1HB LYS 18 2.139 11.512 -11.142 139 2HB LYS 18 2HB LYS 18 0.372 11.489 -11.211 140 1HG LYS 18 1HG LYS 18 0.869 9.372 -12.832 141 2HG LYS 18 2HG LYS 18 2.342 9.312 -11.869 142 1HD LYS 18 1HD LYS 18 -0.534 9.251 -10.860 143 2HD LYS 18 2HD LYS 18 0.587 7.892 -10.916 144 1HE LYS 18 1HE LYS 18 0.827 10.374 -9.142 145 2HE LYS 18 2HE LYS 18 0.381 8.741 -8.636 146 1HZ LYS 18 1HZ LYS 18 2.562 8.003 -9.309 147 2HZ LYS 18 2HZ LYS 18 2.978 9.542 -9.742 148 3HZ LYS 18 3HZ LYS 18 2.652 9.186 -8.166 149 H PHE 19 H PHE 19 3.065 13.424 -12.041 150 HA PHE 19 HA PHE 19 1.571 15.744 -11.344 151 1HB PHE 19 1HB PHE 19 3.542 15.610 -10.154 152 2HB PHE 19 2HB PHE 19 4.468 14.977 -11.513 153 HD1 PHE 19 HD1 PHE 19 5.421 16.391 -13.248 154 HD2 PHE 19 HD2 PHE 19 3.312 18.102 -9.890 155 HE1 PHE 19 HE1 PHE 19 6.316 18.650 -13.778 156 HE2 PHE 19 HE2 PHE 19 4.254 20.330 -10.443 157 HZ PHE 19 HZ PHE 19 5.799 20.539 -12.452 158 H PHE 20 H PHE 20 3.528 15.027 -14.226 159 HA PHE 20 HA PHE 20 3.573 17.574 -15.405 160 1HB PHE 20 1HB PHE 20 4.965 15.951 -16.303 161 2HB PHE 20 2HB PHE 20 3.665 14.783 -16.527 162 HD1 PHE 20 HD1 PHE 20 5.067 17.966 -17.804 163 HD2 PHE 20 HD2 PHE 20 2.510 14.585 -18.572 164 HE1 PHE 20 HE1 PHE 20 4.919 18.626 -20.187 165 HE2 PHE 20 HE2 PHE 20 2.370 15.248 -20.959 166 HZ PHE 20 HZ PHE 20 3.583 17.247 -21.760 167 H LEU 21 H LEU 21 1.244 14.849 -15.821 168 HA LEU 21 HA LEU 21 -0.657 16.331 -17.378 169 1HB LEU 21 1HB LEU 21 -0.454 13.668 -15.986 170 2HB LEU 21 2HB LEU 21 -2.061 14.318 -15.939 171 HG LEU 21 HG LEU 21 -0.599 13.933 -18.622 172 1HD1 LEU 21 1HD1 LEU 21 -2.423 12.060 -17.067 173 2HD1 LEU 21 2HD1 LEU 21 -1.879 11.842 -18.745 174 3HD1 LEU 21 3HD1 LEU 21 -0.704 11.809 -17.428 175 1HD2 LEU 21 1HD2 LEU 21 -3.480 14.448 -17.707 176 2HD2 LEU 21 2HD2 LEU 21 -2.453 15.526 -18.676 177 3HD2 LEU 21 3HD2 LEU 21 -3.027 13.995 -19.339 178 H GLU 22 H GLU 22 -0.329 15.837 -13.856 179 HA GLU 22 HA GLU 22 -2.774 17.081 -13.204 180 1HB GLU 22 1HB GLU 22 -1.254 15.897 -11.575 181 2HB GLU 22 2HB GLU 22 -0.219 17.341 -11.566 182 1HG GLU 22 1HG GLU 22 -2.051 18.703 -10.709 183 2HG GLU 22 2HG GLU 22 -3.177 17.343 -10.854 184 H GLU 23 H GLU 23 0.325 18.507 -14.242 185 HA GLU 23 HA GLU 23 -0.506 21.211 -13.620 186 1HB GLU 23 1HB GLU 23 1.983 19.990 -14.004 187 2HB GLU 23 2HB GLU 23 1.776 21.075 -15.385 188 1HG GLU 23 1HG GLU 23 2.728 22.406 -13.636 189 2HG GLU 23 2HG GLU 23 1.028 22.873 -13.729 190 H ILE 24 H ILE 24 -0.199 19.223 -16.517 191 HA ILE 24 HA ILE 24 -0.994 21.155 -18.481 192 HB ILE 24 HB ILE 24 -0.846 18.165 -18.383 193 1HG1 ILE 24 1HG1 ILE 24 0.024 20.201 -20.382 194 2HG1 ILE 24 2HG1 ILE 24 0.852 18.778 -19.740 195 1HG2 ILE 24 1HG2 ILE 24 -3.211 18.165 -18.824 196 2HG2 ILE 24 2HG2 ILE 24 -2.909 19.156 -20.268 197 3HG2 ILE 24 3HG2 ILE 24 -2.279 17.507 -20.103 198 1HD1 ILE 24 1HD1 ILE 24 -1.391 18.660 -21.813 199 2HD1 ILE 24 2HD1 ILE 24 0.309 18.648 -22.112 200 3HD1 ILE 24 3HD1 ILE 24 -0.381 17.322 -21.185 201 H GLN 25 H GLN 25 -2.937 18.991 -16.446 202 HA GLN 25 HA GLN 25 -5.473 20.117 -17.333 203 1HB GLN 25 1HB GLN 25 -4.804 18.344 -14.925 204 2HB GLN 25 2HB GLN 25 -6.429 18.691 -15.527 205 1HG GLN 25 1HG GLN 25 -5.906 17.448 -17.645 206 2HG GLN 25 2HG GLN 25 -4.296 17.078 -17.036 207 1HE2 GLN 25 2HE2 GLN 25 -7.781 16.627 -16.353 208 2HE2 GLN 25 1HE2 GLN 25 -7.558 15.111 -15.501 209 H LEU 26 H LEU 26 -3.686 20.462 -14.316 210 HA LEU 26 HA LEU 26 -5.450 22.200 -12.952 211 1HB LEU 26 1HB LEU 26 -3.637 21.266 -11.785 212 2HB LEU 26 2HB LEU 26 -2.442 22.002 -12.882 213 HG LEU 26 HG LEU 26 -2.313 22.926 -10.745 214 1HD1 LEU 26 1HD1 LEU 26 -1.953 24.432 -12.755 215 2HD1 LEU 26 2HD1 LEU 26 -3.544 25.147 -12.379 216 3HD1 LEU 26 3HD1 LEU 26 -2.259 25.211 -11.185 217 1HD2 LEU 26 1HD2 LEU 26 -4.580 22.509 -10.004 218 2HD2 LEU 26 2HD2 LEU 26 -4.087 24.197 -9.714 219 3HD2 LEU 26 3HD2 LEU 26 -5.182 23.809 -11.074 220 H GLY 27 H GLY 27 -2.786 23.053 -15.201 221 1HA GLY 27 1HA GLY 27 -3.236 25.876 -15.233 222 2HA GLY 27 2HA GLY 27 -2.491 24.947 -16.557 223 H GLU 28 H GLU 28 -4.226 23.518 -17.855 224 HA GLU 28 HA GLU 28 -5.950 25.306 -19.097 225 1HB GLU 28 1HB GLU 28 -6.105 22.308 -18.899 226 2HB GLU 28 2HB GLU 28 -7.136 23.270 -19.977 227 1HG GLU 28 1HG GLU 28 -4.080 23.529 -19.975 228 2HG GLU 28 2HG GLU 28 -4.962 22.414 -20.998 229 H GLU 29 H GLU 29 -6.737 23.568 -16.164 230 HA GLU 29 HA GLU 29 -9.546 24.303 -16.184 231 1HB GLU 29 1HB GLU 29 -8.750 22.382 -14.912 232 2HB GLU 29 2HB GLU 29 -7.782 23.452 -13.869 233 1HG GLU 29 1HG GLU 29 -9.788 22.820 -12.711 234 2HG GLU 29 2HG GLU 29 -9.893 24.541 -13.089 235 H LEU 30 H LEU 30 -6.588 25.721 -14.625 236 HA LEU 30 HA LEU 30 -8.057 27.864 -13.397 237 1HB LEU 30 1HB LEU 30 -5.144 27.338 -14.135 238 2HB LEU 30 2HB LEU 30 -5.603 28.992 -13.809 239 HG LEU 30 HG LEU 30 -5.802 26.714 -11.797 240 1HD1 LEU 30 1HD1 LEU 30 -3.509 27.494 -12.399 241 2HD1 LEU 30 2HD1 LEU 30 -3.980 29.147 -11.963 242 3HD1 LEU 30 3HD1 LEU 30 -3.955 27.872 -10.724 243 1HD2 LEU 30 1HD2 LEU 30 -6.380 29.727 -11.546 244 2HD2 LEU 30 2HD2 LEU 30 -7.567 28.428 -11.318 245 3HD2 LEU 30 3HD2 LEU 30 -6.231 28.612 -10.180 246 H LEU 31 H LEU 31 -6.629 27.459 -16.601 247 HA LEU 31 HA LEU 31 -7.271 30.188 -17.489 248 1HB LEU 31 1HB LEU 31 -6.703 27.598 -18.943 249 2HB LEU 31 2HB LEU 31 -6.868 29.161 -19.737 250 HG LEU 31 HG LEU 31 -4.861 29.922 -19.094 251 1HD1 LEU 31 1HD1 LEU 31 -5.301 29.964 -16.571 252 2HD1 LEU 31 2HD1 LEU 31 -4.539 28.364 -16.515 253 3HD1 LEU 31 3HD1 LEU 31 -3.673 29.752 -17.119 254 1HD2 LEU 31 1HD2 LEU 31 -4.601 26.951 -18.620 255 2HD2 LEU 31 2HD2 LEU 31 -4.376 27.810 -20.148 256 3HD2 LEU 31 3HD2 LEU 31 -3.211 27.986 -18.792 257 H ALA 32 H ALA 32 -9.021 27.175 -17.229 258 HA ALA 32 HA ALA 32 -11.255 28.004 -18.781 259 1HB ALA 32 1HB ALA 32 -10.776 25.633 -17.910 260 2HB ALA 32 2HB ALA 32 -11.476 26.160 -16.366 261 3HB ALA 32 3HB ALA 32 -12.457 26.195 -17.818 262 H GLN 33 H GLN 33 -10.015 29.076 -15.730 263 HA GLN 33 HA GLN 33 -12.532 30.378 -14.920 264 1HB GLN 33 1HB GLN 33 -10.303 29.255 -13.534 265 2HB GLN 33 2HB GLN 33 -10.164 31.008 -13.329 266 1HG GLN 33 1HG GLN 33 -12.547 31.052 -12.558 267 2HG GLN 33 2HG GLN 33 -12.605 29.285 -12.714 268 1HE2 GLN 33 2HE2 GLN 33 -10.595 28.160 -11.552 269 2HE2 GLN 33 1HE2 GLN 33 -10.283 28.751 -9.930 270 H GLY 34 H GLY 34 -9.294 30.902 -16.098 271 1HA GLY 34 1HA GLY 34 -9.121 32.606 -17.908 272 2HA GLY 34 2HA GLY 34 -9.846 33.763 -16.791 273 H ASP 35 H ASP 35 -7.554 31.492 -15.344 274 HA ASP 35 HA ASP 35 -5.791 33.832 -14.920 275 1HB ASP 35 1HB ASP 35 -6.584 32.324 -13.080 276 2HB ASP 35 2HB ASP 35 -5.405 31.141 -13.658 277 H TYR 36 H TYR 36 -5.525 33.413 -17.447 278 HA TYR 36 HA TYR 36 -3.605 31.714 -18.608 279 1HB TYR 36 1HB TYR 36 -4.017 34.634 -19.273 280 2HB TYR 36 2HB TYR 36 -3.549 33.321 -20.362 281 HD1 TYR 36 HD1 TYR 36 -5.262 31.426 -20.780 282 HD2 TYR 36 HD2 TYR 36 -6.296 35.281 -19.162 283 HE1 TYR 36 HE1 TYR 36 -7.602 31.072 -21.463 284 HE2 TYR 36 HE2 TYR 36 -8.639 34.931 -19.847 285 HH TYR 36 HH TYR 36 -10.163 33.502 -20.837 286 H GLU 37 H GLU 37 -3.004 34.594 -16.747 287 HA GLU 37 HA GLU 37 -0.210 34.725 -17.269 288 1HB GLU 37 1HB GLU 37 -1.815 35.603 -14.840 289 2HB GLU 37 2HB GLU 37 -0.092 35.941 -15.040 290 1HG GLU 37 1HG GLU 37 -2.245 36.843 -17.002 291 2HG GLU 37 2HG GLU 37 -1.550 37.845 -15.725 292 H LYS 38 H LYS 38 -2.032 32.987 -14.828 293 HA LYS 38 HA LYS 38 0.370 31.715 -13.745 294 1HB LYS 38 1HB LYS 38 -2.589 31.298 -13.285 295 2HB LYS 38 2HB LYS 38 -1.450 30.127 -12.701 296 1HG LYS 38 1HG LYS 38 -1.214 33.081 -12.031 297 2HG LYS 38 2HG LYS 38 -2.136 31.956 -11.035 298 1HD LYS 38 1HD LYS 38 0.823 31.543 -11.654 299 2HD LYS 38 2HD LYS 38 0.238 32.424 -10.247 300 1HE LYS 38 1HE LYS 38 -0.674 30.520 -9.228 301 2HE LYS 38 2HE LYS 38 -0.815 29.633 -10.734 302 1HZ LYS 38 1HZ LYS 38 1.585 29.470 -10.827 303 2HZ LYS 38 2HZ LYS 38 1.710 30.185 -9.350 304 3HZ LYS 38 3HZ LYS 38 0.936 28.733 -9.527 305 H GLY 39 H GLY 39 -2.006 30.901 -16.247 306 1HA GLY 39 1HA GLY 39 -1.436 28.189 -16.676 307 2HA GLY 39 2HA GLY 39 -1.789 29.395 -17.955 308 H VAL 40 H VAL 40 0.310 31.117 -17.760 309 HA VAL 40 HA VAL 40 2.163 29.739 -19.437 310 HB VAL 40 HB VAL 40 2.411 32.421 -17.975 311 1HG1 VAL 40 1HG1 VAL 40 4.291 31.079 -19.933 312 2HG1 VAL 40 2HG1 VAL 40 4.262 32.821 -19.661 313 3HG1 VAL 40 3HG1 VAL 40 4.662 31.745 -18.325 314 1HG2 VAL 40 1HG2 VAL 40 1.868 31.754 -20.916 315 2HG2 VAL 40 2HG2 VAL 40 0.684 32.416 -19.770 316 3HG2 VAL 40 3HG2 VAL 40 2.078 33.372 -20.252 317 H ASP 41 H ASP 41 2.298 30.568 -15.986 318 HA ASP 41 HA ASP 41 4.916 29.507 -15.492 319 1HB ASP 41 1HB ASP 41 4.277 30.907 -13.788 320 2HB ASP 41 2HB ASP 41 2.588 30.411 -13.836 321 H HIS 42 H HIS 42 1.711 28.141 -14.937 322 HA HIS 42 HA HIS 42 2.662 25.596 -14.013 323 1HB HIS 42 1HB HIS 42 -0.035 26.527 -15.007 324 2HB HIS 42 2HB HIS 42 0.258 24.841 -14.581 325 HD1 HIS 42 HD1 HIS 42 1.250 24.402 -12.021 326 HD2 HIS 42 HD2 HIS 42 -0.559 28.110 -12.794 327 HE1 HIS 42 HE1 HIS 42 0.692 25.440 -9.798 328 H LEU 43 H LEU 43 2.019 26.810 -17.286 329 HA LEU 43 HA LEU 43 2.315 24.140 -18.432 330 1HB LEU 43 1HB LEU 43 1.171 26.291 -19.517 331 2HB LEU 43 2HB LEU 43 2.830 26.656 -20.018 332 HG LEU 43 HG LEU 43 2.757 24.092 -20.789 333 1HD1 LEU 43 1HD1 LEU 43 0.447 23.733 -19.745 334 2HD1 LEU 43 2HD1 LEU 43 -0.204 24.874 -20.936 335 3HD1 LEU 43 3HD1 LEU 43 0.530 23.354 -21.471 336 1HD2 LEU 43 1HD2 LEU 43 1.250 26.310 -22.260 337 2HD2 LEU 43 2HD2 LEU 43 3.002 26.006 -22.324 338 3HD2 LEU 43 3HD2 LEU 43 1.874 24.818 -22.999 339 H THR 44 H THR 44 4.384 27.043 -17.833 340 HA THR 44 HA THR 44 6.713 26.172 -19.038 341 HB THR 44 HB THR 44 6.495 27.859 -16.556 342 HG1 THR 44 HG1 THR 44 5.691 28.697 -18.521 343 1HG2 THR 44 1HG2 THR 44 8.900 27.179 -18.301 344 2HG2 THR 44 2HG2 THR 44 8.827 28.527 -17.148 345 3HG2 THR 44 3HG2 THR 44 8.737 26.862 -16.558 346 H ASN 45 H ASN 45 5.359 25.264 -15.936 347 HA ASN 45 HA ASN 45 7.556 23.698 -14.916 348 1HB ASN 45 1HB ASN 45 4.599 23.785 -14.282 349 2HB ASN 45 2HB ASN 45 5.631 22.526 -13.617 350 1HD2 ASN 45 2HD2 ASN 45 5.170 26.086 -13.731 351 2HD2 ASN 45 1HD2 ASN 45 5.991 26.396 -12.234 352 H ALA 46 H ALA 46 4.632 22.831 -16.822 353 HA ALA 46 HA ALA 46 5.099 20.082 -16.970 354 1HB ALA 46 1HB ALA 46 2.991 21.237 -17.586 355 2HB ALA 46 2HB ALA 46 3.734 21.793 -19.093 356 3HB ALA 46 3HB ALA 46 3.503 20.068 -18.790 357 H ILE 47 H ILE 47 6.275 22.744 -19.094 358 HA ILE 47 HA ILE 47 7.806 21.050 -20.835 359 HB ILE 47 HB ILE 47 8.163 23.982 -20.174 360 1HG1 ILE 47 1HG1 ILE 47 7.364 24.256 -22.613 361 2HG1 ILE 47 2HG1 ILE 47 6.849 22.561 -22.561 362 1HG2 ILE 47 1HG2 ILE 47 9.731 22.347 -22.120 363 2HG2 ILE 47 2HG2 ILE 47 9.631 24.121 -22.183 364 3HG2 ILE 47 3HG2 ILE 47 10.320 23.341 -20.781 365 1HD1 ILE 47 1HD1 ILE 47 5.933 24.761 -20.689 366 2HD1 ILE 47 2HD1 ILE 47 5.077 24.302 -22.159 367 3HD1 ILE 47 3HD1 ILE 47 5.220 23.117 -20.863 368 H ALA 48 H ALA 48 8.526 22.489 -17.753 369 HA ALA 48 HA ALA 48 11.346 22.150 -17.831 370 1HB ALA 48 1HB ALA 48 10.204 23.691 -16.251 371 2HB ALA 48 2HB ALA 48 9.613 22.281 -15.337 372 3HB ALA 48 3HB ALA 48 11.350 22.593 -15.460 373 H VAL 49 H VAL 49 8.714 19.970 -17.000 374 HA VAL 49 HA VAL 49 10.710 17.919 -16.149 375 HB VAL 49 HB VAL 49 8.953 16.742 -15.230 376 1HG1 VAL 49 1HG1 VAL 49 9.874 18.882 -14.115 377 2HG1 VAL 49 2HG1 VAL 49 8.321 19.628 -14.525 378 3HG1 VAL 49 3HG1 VAL 49 8.377 18.204 -13.463 379 1HG2 VAL 49 1HG2 VAL 49 7.169 17.230 -16.987 380 2HG2 VAL 49 2HG2 VAL 49 6.639 17.220 -15.313 381 3HG2 VAL 49 3HG2 VAL 49 6.889 18.771 -16.141 382 H CYS 50 H CYS 50 8.849 18.861 -18.952 383 HA CYS 50 HA CYS 50 8.843 16.099 -20.025 384 1HB CYS 50 1HB CYS 50 6.926 17.394 -20.456 385 2HB CYS 50 2HB CYS 50 7.873 18.735 -21.146 386 HG CYS 50 HG CYS 50 6.649 17.486 -23.061 387 H GLY 51 H GLY 51 10.352 19.282 -20.880 388 1HA GLY 51 1HA GLY 51 12.439 19.691 -21.741 389 2HA GLY 51 2HA GLY 51 12.819 17.965 -21.714 390 H GLN 52 H GLN 52 9.884 18.352 -23.275 391 HA GLN 52 HA GLN 52 10.985 18.748 -26.068 392 1HB GLN 52 1HB GLN 52 10.768 16.308 -25.406 393 2HB GLN 52 2HB GLN 52 9.034 16.584 -25.257 394 1HG GLN 52 1HG GLN 52 9.458 15.727 -27.470 395 2HG GLN 52 2HG GLN 52 9.039 17.440 -27.635 396 1HE2 GLN 52 2HE2 GLN 52 11.967 15.343 -27.239 397 2HE2 GLN 52 1HE2 GLN 52 12.954 16.283 -28.339 398 HA PRO 53 HA PRO 53 7.392 21.383 -24.564 399 1HB PRO 53 1HB PRO 53 8.258 23.734 -25.830 400 2HB PRO 53 2HB PRO 53 8.601 23.269 -24.151 401 1HG PRO 53 1HG PRO 53 10.384 22.836 -26.542 402 2HG PRO 53 2HG PRO 53 10.809 23.505 -24.941 403 1HD PRO 53 1HD PRO 53 11.318 20.963 -25.436 404 2HD PRO 53 2HD PRO 53 10.551 21.402 -23.893 405 H GLN 54 H GLN 54 9.019 21.764 -27.655 406 HA GLN 54 HA GLN 54 6.796 22.530 -29.190 407 1HB GLN 54 1HB GLN 54 9.271 21.042 -30.189 408 2HB GLN 54 2HB GLN 54 8.152 22.012 -31.159 409 1HG GLN 54 1HG GLN 54 8.817 24.035 -29.703 410 2HG GLN 54 2HG GLN 54 10.119 23.042 -29.046 411 1HE2 GLN 54 2HE2 GLN 54 11.566 21.940 -30.779 412 2HE2 GLN 54 1HE2 GLN 54 11.966 22.951 -32.153 413 H GLN 55 H GLN 55 7.846 19.168 -28.617 414 HA GLN 55 HA GLN 55 5.893 18.158 -30.466 415 1HB GLN 55 1HB GLN 55 7.738 16.724 -29.583 416 2HB GLN 55 2HB GLN 55 6.942 16.722 -27.994 417 1HG GLN 55 1HG GLN 55 6.458 14.670 -29.285 418 2HG GLN 55 2HG GLN 55 4.999 15.576 -28.882 419 1HE2 GLN 55 2HE2 GLN 55 7.471 15.515 -31.545 420 2HE2 GLN 55 1HE2 GLN 55 6.294 15.596 -32.839 421 H LEU 56 H LEU 56 5.828 18.769 -26.986 422 HA LEU 56 HA LEU 56 3.117 18.035 -26.625 423 1HB LEU 56 1HB LEU 56 4.649 18.267 -24.672 424 2HB LEU 56 2HB LEU 56 4.891 19.978 -25.029 425 HG LEU 56 HG LEU 56 2.446 20.383 -24.600 426 1HD1 LEU 56 1HD1 LEU 56 2.243 17.562 -24.717 427 2HD1 LEU 56 2HD1 LEU 56 2.091 17.937 -23.024 428 3HD1 LEU 56 3HD1 LEU 56 1.009 18.718 -24.176 429 1HD2 LEU 56 1HD2 LEU 56 4.224 19.319 -22.406 430 2HD2 LEU 56 2HD2 LEU 56 4.032 20.988 -22.951 431 3HD2 LEU 56 3HD2 LEU 56 2.689 20.177 -22.123 432 H LEU 57 H LEU 57 4.630 21.101 -27.692 433 HA LEU 57 HA LEU 57 2.167 22.574 -27.482 434 1HB LEU 57 1HB LEU 57 4.616 23.085 -29.231 435 2HB LEU 57 2HB LEU 57 3.255 24.187 -29.085 436 HG LEU 57 HG LEU 57 5.122 23.440 -26.779 437 1HD1 LEU 57 1HD1 LEU 57 4.948 25.796 -28.631 438 2HD1 LEU 57 2HD1 LEU 57 5.788 25.852 -27.059 439 3HD1 LEU 57 3HD1 LEU 57 6.320 24.730 -28.323 440 1HD2 LEU 57 1HD2 LEU 57 2.731 25.379 -26.999 441 2HD2 LEU 57 2HD2 LEU 57 2.850 23.995 -25.904 442 3HD2 LEU 57 3HD2 LEU 57 3.888 25.393 -25.659 443 H GLN 58 H GLN 58 3.487 20.522 -30.006 444 HA GLN 58 HA GLN 58 1.440 21.261 -31.919 445 1HB GLN 58 1HB GLN 58 3.399 20.039 -32.718 446 2HB GLN 58 2HB GLN 58 3.090 18.694 -31.609 447 1HG GLN 58 1HG GLN 58 1.011 18.131 -32.804 448 2HG GLN 58 2HG GLN 58 1.229 19.537 -33.856 449 1HE2 GLN 58 2HE2 GLN 58 3.241 16.680 -32.721 450 2HE2 GLN 58 1HE2 GLN 58 3.776 16.290 -34.338 451 H VAL 59 H VAL 59 1.747 18.683 -29.495 452 HA VAL 59 HA VAL 59 -0.783 17.556 -29.898 453 HB VAL 59 HB VAL 59 1.305 16.787 -28.361 454 1HG1 VAL 59 1HG1 VAL 59 -0.899 17.475 -26.295 455 2HG1 VAL 59 2HG1 VAL 59 0.576 16.565 -25.983 456 3HG1 VAL 59 3HG1 VAL 59 0.639 18.277 -26.289 457 1HG2 VAL 59 1HG2 VAL 59 -1.462 15.893 -28.106 458 2HG2 VAL 59 2HG2 VAL 59 -0.181 15.390 -29.280 459 3HG2 VAL 59 3HG2 VAL 59 0.045 15.098 -27.544 460 H LEU 60 H LEU 60 0.127 20.261 -27.809 461 HA LEU 60 HA LEU 60 -2.375 20.553 -26.473 462 1HB LEU 60 1HB LEU 60 -0.503 20.768 -25.271 463 2HB LEU 60 2HB LEU 60 0.276 21.839 -26.451 464 HG LEU 60 HG LEU 60 -0.911 23.566 -26.026 465 1HD1 LEU 60 1HD1 LEU 60 -2.513 21.878 -23.890 466 2HD1 LEU 60 2HD1 LEU 60 -2.725 23.618 -24.056 467 3HD1 LEU 60 3HD1 LEU 60 -3.310 22.527 -25.309 468 1HD2 LEU 60 1HD2 LEU 60 0.898 22.975 -24.550 469 2HD2 LEU 60 2HD2 LEU 60 -0.336 23.896 -23.633 470 3HD2 LEU 60 3HD2 LEU 60 -0.217 22.120 -23.456 471 H GLN 61 H GLN 61 -0.877 21.790 -29.497 472 HA GLN 61 HA GLN 61 -2.788 24.008 -29.615 473 1HB GLN 61 1HB GLN 61 -0.516 24.402 -30.348 474 2HB GLN 61 2HB GLN 61 -0.588 23.074 -31.519 475 1HG GLN 61 1HG GLN 61 -2.079 24.271 -32.964 476 2HG GLN 61 2HG GLN 61 -2.367 25.535 -31.758 477 1HE2 GLN 61 2HE2 GLN 61 -0.177 26.580 -30.910 478 2HE2 GLN 61 1HE2 GLN 61 0.935 27.013 -32.193 479 H GLN 62 H GLN 62 -2.386 20.755 -30.930 480 HA GLN 62 HA GLN 62 -4.487 21.164 -32.922 481 1HB GLN 62 1HB GLN 62 -3.990 19.141 -33.837 482 2HB GLN 62 2HB GLN 62 -2.445 19.869 -33.379 483 1HG GLN 62 1HG GLN 62 -2.441 17.507 -33.149 484 2HG GLN 62 2HG GLN 62 -2.182 18.286 -31.587 485 1HE2 GLN 62 2HE2 GLN 62 -3.375 17.501 -29.868 486 2HE2 GLN 62 1HE2 GLN 62 -4.767 16.448 -30.066 487 H THR 63 H THR 63 -4.291 20.033 -29.625 488 HA THR 63 HA THR 63 -6.816 18.593 -29.765 489 HB THR 63 HB THR 63 -5.048 17.926 -28.208 490 HG1 THR 63 HG1 THR 63 -6.533 17.667 -26.474 491 1HG2 THR 63 1HG2 THR 63 -4.376 20.251 -27.539 492 2HG2 THR 63 2HG2 THR 63 -5.872 20.348 -26.570 493 3HG2 THR 63 3HG2 THR 63 -4.629 19.179 -26.170 494 H LEU 64 H LEU 64 -5.674 21.791 -28.795 495 HA LEU 64 HA LEU 64 -8.400 22.895 -28.986 496 1HB LEU 64 1HB LEU 64 -6.698 22.990 -26.447 497 2HB LEU 64 2HB LEU 64 -8.111 24.004 -26.695 498 HG LEU 64 HG LEU 64 -8.163 20.968 -26.458 499 1HD1 LEU 64 1HD1 LEU 64 -7.553 22.189 -24.384 500 2HD1 LEU 64 2HD1 LEU 64 -9.044 23.136 -24.516 501 3HD1 LEU 64 3HD1 LEU 64 -9.124 21.376 -24.273 502 1HD2 LEU 64 1HD2 LEU 64 -10.063 21.866 -27.852 503 2HD2 LEU 64 2HD2 LEU 64 -10.596 21.244 -26.285 504 3HD2 LEU 64 3HD2 LEU 64 -10.443 22.998 -26.543 505 HA PRO 65 HA PRO 65 -5.929 26.379 -30.327 506 1HB PRO 65 1HB PRO 65 -7.578 28.503 -29.856 507 2HB PRO 65 2HB PRO 65 -7.860 27.304 -31.150 508 1HG PRO 65 1HG PRO 65 -9.131 27.381 -28.404 509 2HG PRO 65 2HG PRO 65 -9.932 27.150 -29.982 510 1HD PRO 65 1HD PRO 65 -9.277 25.054 -28.370 511 2HD PRO 65 2HD PRO 65 -9.159 24.923 -30.147 512 HA PRO 66 HA PRO 66 -4.562 27.212 -26.006 513 1HB PRO 66 1HB PRO 66 -1.963 27.277 -26.322 514 2HB PRO 66 2HB PRO 66 -2.892 25.813 -26.709 515 1HG PRO 66 1HG PRO 66 -1.870 27.861 -28.707 516 2HG PRO 66 2HG PRO 66 -1.758 26.086 -28.773 517 1HD PRO 66 1HD PRO 66 -3.779 27.694 -29.934 518 2HD PRO 66 2HD PRO 66 -3.908 25.950 -29.595 519 HA PRO 67 HA PRO 67 -4.289 31.806 -26.732 520 1HB PRO 67 1HB PRO 67 -5.668 32.673 -24.542 521 2HB PRO 67 2HB PRO 67 -6.523 31.999 -25.965 522 1HG PRO 67 1HG PRO 67 -5.723 30.519 -23.431 523 2HG PRO 67 2HG PRO 67 -7.348 30.604 -24.172 524 1HD PRO 67 1HD PRO 67 -5.718 28.521 -24.690 525 2HD PRO 67 2HD PRO 67 -6.690 29.278 -25.994 526 H VAL 68 H VAL 68 -3.425 29.689 -24.143 527 HA VAL 68 HA VAL 68 -1.846 31.660 -22.662 528 HB VAL 68 HB VAL 68 -2.104 28.614 -22.423 529 1HG1 VAL 68 1HG1 VAL 68 -0.252 30.497 -20.954 530 2HG1 VAL 68 2HG1 VAL 68 -0.630 28.820 -20.473 531 3HG1 VAL 68 3HG1 VAL 68 0.231 29.121 -21.982 532 1HG2 VAL 68 1HG2 VAL 68 -2.912 31.123 -20.879 533 2HG2 VAL 68 2HG2 VAL 68 -3.924 29.758 -21.422 534 3HG2 VAL 68 3HG2 VAL 68 -2.750 29.582 -20.090 535 H PHE 69 H PHE 69 -1.154 28.998 -24.893 536 HA PHE 69 HA PHE 69 1.615 29.093 -25.072 537 1HB PHE 69 1HB PHE 69 0.407 27.483 -26.352 538 2HB PHE 69 2HB PHE 69 -0.474 28.769 -27.198 539 HD1 PHE 69 HD1 PHE 69 3.164 27.990 -26.585 540 HD2 PHE 69 HD2 PHE 69 0.069 28.961 -29.423 541 HE1 PHE 69 HE1 PHE 69 4.839 28.017 -28.420 542 HE2 PHE 69 HE2 PHE 69 1.748 28.978 -31.255 543 HZ PHE 69 HZ PHE 69 4.136 28.505 -30.751 544 H GLN 70 H GLN 70 -0.593 31.264 -26.837 545 HA GLN 70 HA GLN 70 1.540 32.737 -28.080 546 1HB GLN 70 1HB GLN 70 -0.076 34.455 -28.637 547 2HB GLN 70 2HB GLN 70 -0.642 32.829 -29.052 548 1HG GLN 70 1HG GLN 70 -2.055 32.753 -27.109 549 2HG GLN 70 2HG GLN 70 -1.472 34.331 -26.529 550 1HE2 GLN 70 2HE2 GLN 70 -1.762 36.190 -28.180 551 2HE2 GLN 70 1HE2 GLN 70 -3.294 36.205 -29.033 552 H MET 71 H MET 71 0.073 33.039 -24.879 553 HA MET 71 HA MET 71 1.342 35.585 -24.309 554 1HB MET 71 1HB MET 71 0.174 33.527 -22.377 555 2HB MET 71 2HB MET 71 0.788 35.134 -22.007 556 1HG MET 71 1HG MET 71 -1.152 35.710 -23.902 557 2HG MET 71 2HG MET 71 -1.845 34.335 -23.041 558 1HE MET 71 1HE MET 71 -1.605 34.193 -20.387 559 2HE MET 71 2HE MET 71 -0.270 35.248 -19.929 560 3HE MET 71 3HE MET 71 -1.898 35.608 -19.343 561 H LEU 72 H LEU 72 2.010 32.085 -23.955 562 HA LEU 72 HA LEU 72 4.196 32.210 -22.217 563 1HB LEU 72 1HB LEU 72 2.908 30.231 -23.627 564 2HB LEU 72 2HB LEU 72 4.424 30.342 -24.522 565 HG LEU 72 HG LEU 72 3.900 29.484 -21.648 566 1HD1 LEU 72 1HD1 LEU 72 3.661 27.976 -23.503 567 2HD1 LEU 72 2HD1 LEU 72 5.349 28.296 -23.995 568 3HD1 LEU 72 3HD1 LEU 72 5.009 27.533 -22.412 569 1HD2 LEU 72 1HD2 LEU 72 6.642 30.058 -22.941 570 2HD2 LEU 72 2HD2 LEU 72 5.998 30.978 -21.567 571 3HD2 LEU 72 3HD2 LEU 72 6.387 29.263 -21.380 572 H LEU 73 H LEU 73 3.845 32.618 -25.652 573 HA LEU 73 HA LEU 73 6.626 33.161 -26.212 574 1HB LEU 73 1HB LEU 73 4.265 34.261 -27.794 575 2HB LEU 73 2HB LEU 73 5.913 34.033 -28.361 576 HG LEU 73 HG LEU 73 3.830 31.857 -27.889 577 1HD1 LEU 73 1HD1 LEU 73 3.571 33.284 -29.795 578 2HD1 LEU 73 2HD1 LEU 73 5.238 32.929 -30.309 579 3HD1 LEU 73 3HD1 LEU 73 4.014 31.624 -30.249 580 1HD2 LEU 73 1HD2 LEU 73 6.778 31.569 -28.582 581 2HD2 LEU 73 2HD2 LEU 73 5.936 30.893 -27.163 582 3HD2 LEU 73 3HD2 LEU 73 5.550 30.308 -28.786 583 H THR 74 H THR 74 4.134 35.186 -24.971 584 HA THR 74 HA THR 74 5.764 37.578 -25.494 585 HB THR 74 HB THR 74 3.227 37.483 -25.861 586 HG1 THR 74 HG1 THR 74 4.734 39.564 -24.690 587 1HG2 THR 74 1HG2 THR 74 2.724 36.980 -23.434 588 2HG2 THR 74 2HG2 THR 74 3.416 38.554 -23.018 589 3HG2 THR 74 3HG2 THR 74 1.974 38.453 -24.069 590 H LYS 75 H LYS 75 5.201 35.268 -22.954 591 HA LYS 75 HA LYS 75 6.163 37.091 -20.864 592 1HB LYS 75 1HB LYS 75 4.643 34.637 -21.010 593 2HB LYS 75 2HB LYS 75 6.123 34.290 -20.137 594 1HG LYS 75 1HG LYS 75 4.338 34.832 -18.658 595 2HG LYS 75 2HG LYS 75 5.675 35.992 -18.538 596 1HD LYS 75 1HD LYS 75 3.423 36.971 -18.246 597 2HD LYS 75 2HD LYS 75 4.331 37.719 -19.570 598 1HE LYS 75 1HE LYS 75 3.040 36.410 -21.205 599 2HE LYS 75 2HE LYS 75 2.182 35.581 -19.891 600 1HZ LYS 75 1HZ LYS 75 2.062 38.479 -20.344 601 2HZ LYS 75 2HZ LYS 75 0.931 37.402 -20.871 602 3HZ LYS 75 3HZ LYS 75 1.158 37.606 -19.275 603 H LEU 76 H LEU 76 7.413 34.432 -22.862 604 HA LEU 76 HA LEU 76 9.867 33.993 -21.563 605 1HB LEU 76 1HB LEU 76 8.940 33.783 -24.444 606 2HB LEU 76 2HB LEU 76 10.599 33.372 -24.002 607 HG LEU 76 HG LEU 76 8.138 31.980 -22.794 608 1HD1 LEU 76 1HD1 LEU 76 9.762 31.274 -25.253 609 2HD1 LEU 76 2HD1 LEU 76 8.563 30.227 -24.457 610 3HD1 LEU 76 3HD1 LEU 76 8.052 31.745 -25.195 611 1HD2 LEU 76 1HD2 LEU 76 11.074 31.179 -23.015 612 2HD2 LEU 76 2HD2 LEU 76 10.264 31.712 -21.524 613 3HD2 LEU 76 3HD2 LEU 76 9.763 30.209 -22.312 614 HA PRO 77 HA PRO 77 12.143 37.411 -23.866 615 1HB PRO 77 1HB PRO 77 10.890 39.211 -25.490 616 2HB PRO 77 2HB PRO 77 11.329 37.575 -26.057 617 1HG PRO 77 1HG PRO 77 8.640 38.471 -24.960 618 2HG PRO 77 2HG PRO 77 8.959 37.630 -26.506 619 1HD PRO 77 1HD PRO 77 8.245 36.273 -24.260 620 2HD PRO 77 2HD PRO 77 9.486 35.612 -25.377 621 H THR 78 H THR 78 12.345 39.800 -23.614 622 HA THR 78 HA THR 78 10.490 41.058 -21.671 623 HB THR 78 HB THR 78 12.599 39.775 -20.709 624 HG1 THR 78 HG1 THR 78 11.651 42.315 -19.884 625 1HG2 THR 78 1HG2 THR 78 14.393 40.921 -21.857 626 2HG2 THR 78 2HG2 THR 78 13.868 42.486 -21.169 627 3HG2 THR 78 3HG2 THR 78 14.456 41.195 -20.116 628 H ILE 79 H ILE 79 13.378 41.366 -23.635 629 HA ILE 79 HA ILE 79 13.497 44.128 -23.904 630 HB ILE 79 HB ILE 79 14.219 42.119 -26.094 631 1HG1 ILE 79 1HG1 ILE 79 16.633 42.794 -25.009 632 2HG1 ILE 79 2HG1 ILE 79 15.652 42.837 -23.545 633 1HG2 ILE 79 1HG2 ILE 79 15.155 44.970 -25.605 634 2HG2 ILE 79 2HG2 ILE 79 15.811 43.866 -26.834 635 3HG2 ILE 79 3HG2 ILE 79 14.137 44.395 -26.946 636 1HD1 ILE 79 1HD1 ILE 79 14.909 40.464 -24.116 637 2HD1 ILE 79 2HD1 ILE 79 15.960 40.553 -25.537 638 3HD1 ILE 79 3HD1 ILE 79 16.656 40.649 -23.903 639 H SER 80 H SER 80 11.717 41.854 -25.925 640 HA SER 80 HA SER 80 10.595 43.587 -27.782 641 1HB SER 80 1HB SER 80 9.220 41.182 -26.503 642 2HB SER 80 2HB SER 80 8.918 41.863 -28.115 643 HG SER 80 HG SER 80 10.325 40.072 -28.215 644 H GLN 81 H GLN 81 9.316 42.675 -24.559 645 HA GLN 81 HA GLN 81 6.975 44.243 -24.675 646 1HB GLN 81 1HB GLN 81 8.572 43.171 -22.328 647 2HB GLN 81 2HB GLN 81 7.079 44.089 -22.140 648 1HG GLN 81 1HG GLN 81 6.683 41.651 -22.072 649 2HG GLN 81 2HG GLN 81 5.796 42.466 -23.365 650 1HE2 GLN 81 2HE2 GLN 81 5.739 41.217 -25.198 651 2HE2 GLN 81 1HE2 GLN 81 7.046 40.195 -25.753 652 H ARG 82 H ARG 82 10.262 45.004 -23.670 653 HA ARG 82 HA ARG 82 9.637 47.592 -22.607 654 1HB ARG 82 1HB ARG 82 11.710 46.403 -22.080 655 2HB ARG 82 2HB ARG 82 12.317 46.705 -23.725 656 1HG ARG 82 1HG ARG 82 12.189 49.131 -23.351 657 2HG ARG 82 2HG ARG 82 11.517 48.865 -21.736 658 1HD ARG 82 1HD ARG 82 14.262 47.982 -22.744 659 2HD ARG 82 2HD ARG 82 13.975 49.372 -21.703 660 HE ARG 82 HE ARG 82 14.150 46.581 -20.956 661 1HH1 ARG 82 1HH1 ARG 82 12.626 49.634 -20.005 662 2HH1 ARG 82 2HH1 ARG 82 12.455 49.187 -18.330 663 1HH2 ARG 82 1HH2 ARG 82 13.920 45.984 -18.753 664 2HH2 ARG 82 2HH2 ARG 82 13.190 47.080 -17.618 665 H ILE 83 H ILE 83 10.511 46.555 -25.979 666 HA ILE 83 HA ILE 83 10.782 49.198 -26.961 667 HB ILE 83 HB ILE 83 9.622 46.870 -28.600 668 1HG1 ILE 83 1HG1 ILE 83 11.312 45.812 -27.760 669 2HG1 ILE 83 2HG1 ILE 83 11.836 46.391 -29.353 670 1HG2 ILE 83 1HG2 ILE 83 9.568 49.091 -29.716 671 2HG2 ILE 83 2HG2 ILE 83 11.322 49.236 -29.481 672 3HG2 ILE 83 3HG2 ILE 83 10.653 47.958 -30.512 673 1HD1 ILE 83 1HD1 ILE 83 13.155 48.179 -28.183 674 2HD1 ILE 83 2HD1 ILE 83 12.742 47.397 -26.628 675 3HD1 ILE 83 3HD1 ILE 83 13.687 46.516 -27.837 676 H VAL 84 H VAL 84 8.030 46.951 -26.937 677 HA VAL 84 HA VAL 84 6.148 48.789 -28.034 678 HB VAL 84 HB VAL 84 5.560 46.482 -26.128 679 1HG1 VAL 84 1HG1 VAL 84 3.754 47.952 -28.091 680 2HG1 VAL 84 2HG1 VAL 84 3.320 46.467 -27.219 681 3HG1 VAL 84 3HG1 VAL 84 3.616 47.956 -26.319 682 1HG2 VAL 84 1HG2 VAL 84 6.782 45.698 -28.167 683 2HG2 VAL 84 2HG2 VAL 84 5.104 45.153 -28.167 684 3HG2 VAL 84 3HG2 VAL 84 5.589 46.523 -29.185 685 H SER 85 H SER 85 6.998 48.244 -24.671 686 HA SER 85 HA SER 85 5.130 50.201 -23.686 687 1HB SER 85 1HB SER 85 7.527 48.973 -22.295 688 2HB SER 85 2HB SER 85 6.166 49.822 -21.531 689 HG SER 85 HG SER 85 6.114 47.364 -22.941 690 H ALA 86 H ALA 86 6.565 51.402 -25.701 691 HA ALA 86 HA ALA 86 7.501 53.807 -24.500 692 1HB ALA 86 1HB ALA 86 9.588 52.059 -25.902 693 2HB ALA 86 2HB ALA 86 9.806 53.766 -25.467 694 3HB ALA 86 3HB ALA 86 9.608 52.549 -24.197 695 H GLN 87 H GLN 87 7.775 51.757 -27.391 696 HA GLN 87 HA GLN 87 7.350 53.919 -29.255 697 1HB GLN 87 1HB GLN 87 8.825 51.930 -29.709 698 2HB GLN 87 2HB GLN 87 7.379 50.924 -29.763 699 1HG GLN 87 1HG GLN 87 6.794 53.026 -31.554 700 2HG GLN 87 2HG GLN 87 8.527 52.781 -31.760 701 1HE2 GLN 87 2HE2 GLN 87 5.466 50.915 -31.435 702 2HE2 GLN 87 1HE2 GLN 87 5.861 49.710 -32.657 703 H SER 88 H SER 88 5.321 54.285 -27.779 704 HA SER 88 HA SER 88 2.986 54.235 -29.248 705 1HB SER 88 1HB SER 88 1.555 52.650 -27.982 706 2HB SER 88 2HB SER 88 2.739 51.807 -28.974 707 HG SER 88 HG SER 88 3.950 51.402 -27.118 708 H LEU 89 H LEU 89 4.246 53.766 -25.956 709 HA LEU 89 HA LEU 89 2.560 55.964 -24.861 710 1HB LEU 89 1HB LEU 89 4.264 53.870 -23.452 711 2HB LEU 89 2HB LEU 89 3.138 54.994 -22.681 712 HG LEU 89 HG LEU 89 2.344 52.743 -24.588 713 1HD1 LEU 89 1HD1 LEU 89 3.273 51.905 -22.473 714 2HD1 LEU 89 2HD1 LEU 89 2.149 52.936 -21.560 715 3HD1 LEU 89 3HD1 LEU 89 1.528 51.612 -22.571 716 1HD2 LEU 89 1HD2 LEU 89 0.629 54.567 -22.838 717 2HD2 LEU 89 2HD2 LEU 89 0.679 54.572 -24.618 718 3HD2 LEU 89 3HD2 LEU 89 0.048 53.163 -23.754 719 H GLY 90 H GLY 90 4.504 56.696 -26.607 720 1HA GLY 90 1HA GLY 90 7.045 57.317 -25.485 721 2HA GLY 90 2HA GLY 90 6.289 58.122 -26.872 722 H GLU 91 H GLU 91 7.875 59.390 -24.874 723 HA GLU 91 HA GLU 91 6.243 60.739 -22.945 724 1HB GLU 91 1HB GLU 91 8.725 60.373 -22.764 725 2HB GLU 91 2HB GLU 91 8.971 61.625 -23.996 726 1HG GLU 91 1HG GLU 91 7.984 63.302 -22.509 727 2HG GLU 91 2HG GLU 91 7.546 62.042 -21.333 728 H ASP 92 H ASP 92 5.530 63.044 -23.010 729 HA ASP 92 HA ASP 92 5.434 64.291 -25.698 730 1HB ASP 92 1HB ASP 92 3.301 63.107 -25.146 731 2HB ASP 92 2HB ASP 92 3.167 64.069 -23.667 732 H ASP 93 H ASP 93 4.787 66.660 -25.431 733 HA ASP 93 HA ASP 93 6.458 67.853 -23.297 734 1HB ASP 93 1HB ASP 93 6.836 68.415 -25.708 735 2HB ASP 93 2HB ASP 93 5.222 69.144 -25.765 736 H VAL 94 H VAL 94 5.601 70.045 -22.444 737 HA VAL 94 HA VAL 94 2.682 70.023 -21.923 738 HB VAL 94 HB VAL 94 4.032 68.864 -20.160 739 1HG1 VAL 94 1HG1 VAL 94 6.051 70.305 -20.202 740 2HG1 VAL 94 2HG1 VAL 94 5.111 71.627 -19.476 741 3HG1 VAL 94 3HG1 VAL 94 5.368 70.122 -18.579 742 1HG2 VAL 94 1HG2 VAL 94 1.803 69.867 -19.685 743 2HG2 VAL 94 2HG2 VAL 94 2.871 69.931 -18.271 744 3HG2 VAL 94 3HG2 VAL 94 2.589 71.394 -19.232 745 H GLU 95 H GLU 95 1.776 72.084 -21.561 746 HA GLU 95 HA GLU 95 3.408 74.475 -21.502 747 1HB GLU 95 1HB GLU 95 3.342 73.899 -23.941 748 2HB GLU 95 2HB GLU 95 1.568 73.890 -23.871 749 1HG GLU 95 1HG GLU 95 1.578 76.287 -23.260 750 2HG GLU 95 2HG GLU 95 3.351 76.280 -23.218 751 1H GLY 1 1H GLY 1 -12.720 22.167 -15.909 752 2H GLY 1 2H GLY 1 -13.168 23.708 -15.781 753 3H GLY 1 3H GLY 1 -14.201 22.609 -16.518 754 1HA GLY 1 1HA GLY 1 -13.123 23.964 -18.191 755 2HA GLY 1 2HA GLY 1 -11.563 23.496 -17.460 756 HA PRO 2 HA PRO 2 -12.779 20.425 -20.801 757 1HB PRO 2 1HB PRO 2 -10.763 20.828 -22.590 758 2HB PRO 2 2HB PRO 2 -12.226 21.851 -22.554 759 1HG PRO 2 1HG PRO 2 -9.539 22.444 -21.282 760 2HG PRO 2 2HG PRO 2 -10.517 23.518 -22.323 761 1HD PRO 2 1HD PRO 2 -10.590 23.672 -19.600 762 2HD PRO 2 2HD PRO 2 -12.066 23.936 -20.577 763 H ARG 3 H ARG 3 -11.961 18.339 -20.668 764 HA ARG 3 HA ARG 3 -9.803 17.879 -18.785 765 1HB ARG 3 1HB ARG 3 -10.223 15.520 -19.136 766 2HB ARG 3 2HB ARG 3 -11.638 16.447 -18.643 767 1HG ARG 3 1HG ARG 3 -12.554 16.347 -20.937 768 2HG ARG 3 2HG ARG 3 -11.131 15.435 -21.480 769 1HD ARG 3 1HD ARG 3 -11.613 13.701 -19.758 770 2HD ARG 3 2HD ARG 3 -13.116 14.567 -19.351 771 HE ARG 3 HE ARG 3 -13.149 14.128 -22.125 772 1HH1 ARG 3 1HH1 ARG 3 -13.177 12.196 -19.157 773 2HH1 ARG 3 2HH1 ARG 3 -14.006 10.842 -19.874 774 1HH2 ARG 3 1HH2 ARG 3 -14.250 12.332 -23.083 775 2HH2 ARG 3 2HH2 ARG 3 -14.614 10.924 -22.130 776 H LEU 4 H LEU 4 -8.011 18.860 -19.695 777 HA LEU 4 HA LEU 4 -6.986 18.169 -22.305 778 1HB LEU 4 1HB LEU 4 -6.596 20.302 -20.876 779 2HB LEU 4 2HB LEU 4 -5.390 19.370 -20.018 780 HG LEU 4 HG LEU 4 -4.131 20.492 -21.599 781 1HD1 LEU 4 1HD1 LEU 4 -3.671 18.037 -21.963 782 2HD1 LEU 4 2HD1 LEU 4 -4.773 18.102 -23.342 783 3HD1 LEU 4 3HD1 LEU 4 -3.303 19.103 -23.312 784 1HD2 LEU 4 1HD2 LEU 4 -5.995 21.555 -22.772 785 2HD2 LEU 4 2HD2 LEU 4 -4.757 20.983 -23.892 786 3HD2 LEU 4 3HD2 LEU 4 -6.268 20.068 -23.705 787 H SER 5 H SER 5 -7.281 15.869 -21.969 788 HA SER 5 HA SER 5 -4.832 14.506 -21.268 789 1HB SER 5 1HB SER 5 -5.766 12.969 -19.618 790 2HB SER 5 2HB SER 5 -5.651 14.636 -19.043 791 HG SER 5 HG SER 5 -7.890 14.881 -19.576 792 H ARG 6 H ARG 6 -7.737 14.703 -23.013 793 HA ARG 6 HA ARG 6 -8.295 12.070 -23.744 794 1HB ARG 6 1HB ARG 6 -9.531 14.181 -24.402 795 2HB ARG 6 2HB ARG 6 -8.232 14.534 -25.551 796 1HG ARG 6 1HG ARG 6 -8.724 12.204 -26.569 797 2HG ARG 6 2HG ARG 6 -10.189 12.200 -25.578 798 1HD ARG 6 1HD ARG 6 -9.399 14.229 -27.719 799 2HD ARG 6 2HD ARG 6 -10.643 12.969 -27.863 800 HE ARG 6 HE ARG 6 -11.280 14.584 -25.625 801 1HH1 ARG 6 1HH1 ARG 6 -11.112 14.853 -29.155 802 2HH1 ARG 6 2HH1 ARG 6 -12.356 16.065 -29.266 803 1HH2 ARG 6 1HH2 ARG 6 -12.867 16.250 -25.756 804 2HH2 ARG 6 2HH2 ARG 6 -13.342 16.888 -27.302 805 H LEU 7 H LEU 7 -5.917 14.411 -25.051 806 HA LEU 7 HA LEU 7 -4.643 12.592 -26.886 807 1HB LEU 7 1HB LEU 7 -2.918 14.225 -27.091 808 2HB LEU 7 2HB LEU 7 -4.502 14.987 -27.192 809 HG LEU 7 HG LEU 7 -4.046 15.342 -24.551 810 1HD1 LEU 7 1HD1 LEU 7 -1.305 15.314 -25.917 811 2HD1 LEU 7 2HD1 LEU 7 -1.564 16.186 -24.418 812 3HD1 LEU 7 3HD1 LEU 7 -1.754 14.439 -24.513 813 1HD2 LEU 7 1HD2 LEU 7 -3.159 17.148 -26.758 814 2HD2 LEU 7 2HD2 LEU 7 -4.686 17.104 -25.821 815 3HD2 LEU 7 3HD2 LEU 7 -3.172 17.607 -25.050 816 H LEU 8 H LEU 8 -3.819 13.580 -23.495 817 HA LEU 8 HA LEU 8 -1.388 12.194 -23.474 818 1HB LEU 8 1HB LEU 8 -3.089 12.916 -21.149 819 2HB LEU 8 2HB LEU 8 -1.461 12.242 -21.047 820 HG LEU 8 HG LEU 8 -1.160 14.486 -20.645 821 1HD1 LEU 8 1HD1 LEU 8 -0.124 14.033 -23.432 822 2HD1 LEU 8 2HD1 LEU 8 0.227 15.423 -22.431 823 3HD1 LEU 8 3HD1 LEU 8 0.641 13.794 -21.883 824 1HD2 LEU 8 1HD2 LEU 8 -3.144 15.140 -22.733 825 2HD2 LEU 8 2HD2 LEU 8 -2.984 15.676 -21.092 826 3HD2 LEU 8 3HD2 LEU 8 -1.913 16.314 -22.321 827 H SER 9 H SER 9 -4.502 10.749 -23.464 828 HA SER 9 HA SER 9 -3.794 8.317 -22.105 829 1HB SER 9 1HB SER 9 -6.132 9.066 -22.647 830 2HB SER 9 2HB SER 9 -5.800 8.729 -24.359 831 HG SER 9 HG SER 9 -5.189 6.553 -23.556 832 H TYR 10 H TYR 10 -2.677 9.693 -25.043 833 HA TYR 10 HA TYR 10 -2.211 7.371 -26.637 834 1HB TYR 10 1HB TYR 10 -1.055 8.884 -28.056 835 2HB TYR 10 2HB TYR 10 -2.493 9.700 -27.476 836 HD1 TYR 10 HD1 TYR 10 -0.484 10.214 -24.642 837 HD2 TYR 10 HD2 TYR 10 -0.569 11.300 -28.839 838 HE1 TYR 10 HE1 TYR 10 0.870 12.099 -24.154 839 HE2 TYR 10 HE2 TYR 10 0.816 13.221 -28.318 840 HH TYR 10 HH TYR 10 1.980 13.956 -25.001 841 H ALA 11 H ALA 11 -0.724 8.190 -23.704 842 HA ALA 11 HA ALA 11 1.651 6.593 -24.257 843 1HB ALA 11 1HB ALA 11 2.251 8.900 -25.075 844 2HB ALA 11 2HB ALA 11 1.776 9.562 -23.504 845 3HB ALA 11 3HB ALA 11 3.171 8.470 -23.623 Start of MODEL 20 1 1H ARG 1 1H ARG 1 4.294 2.714 -1.412 2 2H ARG 1 2H ARG 1 4.345 2.809 0.227 3 3H ARG 1 3H ARG 1 4.721 1.387 -0.530 4 HA ARG 1 HA ARG 1 2.514 1.171 -1.365 5 1HB ARG 1 1HB ARG 1 2.667 1.577 1.654 6 2HB ARG 1 2HB ARG 1 1.283 0.871 0.795 7 1HG ARG 1 1HG ARG 1 2.769 -0.911 -0.109 8 2HG ARG 1 2HG ARG 1 4.124 -0.243 0.828 9 1HD ARG 1 1HD ARG 1 2.868 -0.611 2.922 10 2HD ARG 1 2HD ARG 1 1.496 -1.258 1.992 11 HE ARG 1 HE ARG 1 3.793 -2.734 1.272 12 1HH1 ARG 1 1HH1 ARG 1 1.738 -2.241 4.116 13 2HH1 ARG 1 2HH1 ARG 1 2.028 -3.827 4.773 14 1HH2 ARG 1 1HH2 ARG 1 4.176 -4.830 2.134 15 2HH2 ARG 1 2HH2 ARG 1 3.430 -5.313 3.629 16 H ALA 2 H ALA 2 1.653 3.339 1.329 17 HA ALA 2 HA ALA 2 -0.132 4.806 -0.422 18 1HB ALA 2 1HB ALA 2 -0.737 4.225 1.900 19 2HB ALA 2 2HB ALA 2 0.613 5.213 2.507 20 3HB ALA 2 3HB ALA 2 -0.745 5.982 1.658 21 H GLY 3 H GLY 3 -0.088 7.292 -0.337 22 1HA GLY 3 1HA GLY 3 0.961 9.322 -0.456 23 2HA GLY 3 2HA GLY 3 2.495 8.605 0.059 24 H LEU 4 H LEU 4 1.931 10.494 -2.151 25 HA LEU 4 HA LEU 4 3.535 9.244 -4.176 26 1HB LEU 4 1HB LEU 4 1.007 8.528 -4.584 27 2HB LEU 4 2HB LEU 4 0.813 10.179 -5.131 28 HG LEU 4 HG LEU 4 2.290 7.850 -6.408 29 1HD1 LEU 4 1HD1 LEU 4 -0.011 8.397 -6.929 30 2HD1 LEU 4 2HD1 LEU 4 0.477 10.038 -7.419 31 3HD1 LEU 4 3HD1 LEU 4 1.069 8.619 -8.326 32 1HD2 LEU 4 1HD2 LEU 4 2.905 10.789 -7.002 33 2HD2 LEU 4 2HD2 LEU 4 4.069 9.573 -6.426 34 3HD2 LEU 4 3HD2 LEU 4 3.351 9.409 -8.029 35 H SER 5 H SER 5 1.155 11.872 -3.790 36 HA SER 5 HA SER 5 1.314 14.193 -3.953 37 1HB SER 5 1HB SER 5 2.981 13.663 -2.121 38 2HB SER 5 2HB SER 5 4.266 13.857 -3.329 39 HG SER 5 HG SER 5 3.793 15.788 -2.181 40 H LYS 6 H LYS 6 3.531 15.756 -4.758 41 HA LYS 6 HA LYS 6 3.477 15.474 -7.726 42 1HB LYS 6 1HB LYS 6 4.010 17.907 -5.964 43 2HB LYS 6 2HB LYS 6 3.744 17.927 -7.703 44 1HG LYS 6 1HG LYS 6 1.354 17.480 -7.383 45 2HG LYS 6 2HG LYS 6 1.592 17.188 -5.647 46 1HD LYS 6 1HD LYS 6 2.450 19.473 -5.341 47 2HD LYS 6 2HD LYS 6 2.150 19.839 -7.045 48 1HE LYS 6 1HE LYS 6 -0.011 18.964 -5.058 49 2HE LYS 6 2HE LYS 6 0.408 20.654 -5.378 50 1HZ LYS 6 1HZ LYS 6 -0.199 20.343 -7.660 51 2HZ LYS 6 2HZ LYS 6 -0.581 18.768 -7.405 52 3HZ LYS 6 3HZ LYS 6 -1.459 19.943 -6.677 53 H LEU 7 H LEU 7 5.626 15.537 -8.771 54 HA LEU 7 HA LEU 7 7.825 15.016 -8.828 55 1HB LEU 7 1HB LEU 7 7.874 17.598 -7.232 56 2HB LEU 7 2HB LEU 7 9.238 16.942 -8.145 57 HG LEU 7 HG LEU 7 6.586 17.790 -9.383 58 1HD1 LEU 7 1HD1 LEU 7 7.777 19.696 -8.397 59 2HD1 LEU 7 2HD1 LEU 7 9.256 19.241 -9.271 60 3HD1 LEU 7 3HD1 LEU 7 7.815 19.770 -10.166 61 1HD2 LEU 7 1HD2 LEU 7 9.274 17.068 -10.650 62 2HD2 LEU 7 2HD2 LEU 7 7.762 16.142 -10.819 63 3HD2 LEU 7 3HD2 LEU 7 7.901 17.760 -11.506 64 HA PRO 8 HA PRO 8 8.309 13.230 -4.592 65 1HB PRO 8 1HB PRO 8 8.131 10.573 -5.176 66 2HB PRO 8 2HB PRO 8 6.718 11.632 -5.021 67 1HG PRO 8 1HG PRO 8 8.071 10.811 -7.603 68 2HG PRO 8 2HG PRO 8 6.334 10.747 -7.198 69 1HD PRO 8 1HD PRO 8 7.466 12.847 -8.584 70 2HD PRO 8 2HD PRO 8 6.093 13.079 -7.477 71 H ASP 9 H ASP 9 9.757 10.628 -6.428 72 HA ASP 9 HA ASP 9 12.405 11.549 -5.600 73 1HB ASP 9 1HB ASP 9 11.749 9.177 -5.381 74 2HB ASP 9 2HB ASP 9 11.641 9.043 -7.145 75 H LEU 10 H LEU 10 10.425 11.726 -8.464 76 HA LEU 10 HA LEU 10 10.598 12.654 -10.402 77 1HB LEU 10 1HB LEU 10 12.457 14.061 -8.684 78 2HB LEU 10 2HB LEU 10 13.297 13.838 -10.206 79 HG LEU 10 HG LEU 10 10.674 15.395 -9.708 80 1HD1 LEU 10 1HD1 LEU 10 13.533 16.089 -10.292 81 2HD1 LEU 10 2HD1 LEU 10 12.148 17.224 -10.158 82 3HD1 LEU 10 3HD1 LEU 10 12.660 16.261 -8.746 83 1HD2 LEU 10 1HD2 LEU 10 12.340 14.940 -12.259 84 2HD2 LEU 10 2HD2 LEU 10 10.674 14.382 -12.004 85 3HD2 LEU 10 3HD2 LEU 10 11.019 16.117 -12.089 86 H LYS 11 H LYS 11 12.922 10.429 -9.591 87 HA LYS 11 HA LYS 11 14.299 10.253 -12.160 88 1HB LYS 11 1HB LYS 11 14.063 8.341 -9.807 89 2HB LYS 11 2HB LYS 11 14.868 7.910 -11.309 90 1HG LYS 11 1HG LYS 11 16.539 8.538 -9.762 91 2HG LYS 11 2HG LYS 11 16.497 9.764 -11.043 92 1HD LYS 11 1HD LYS 11 15.478 11.372 -9.605 93 2HD LYS 11 2HD LYS 11 14.901 10.079 -8.526 94 1HE LYS 11 1HE LYS 11 17.248 9.677 -7.795 95 2HE LYS 11 2HE LYS 11 17.711 11.152 -8.680 96 1HZ LYS 11 1HZ LYS 11 16.054 12.314 -7.328 97 2HZ LYS 11 2HZ LYS 11 15.710 10.929 -6.522 98 3HZ LYS 11 3HZ LYS 11 17.206 11.606 -6.369 99 H ASP 12 H ASP 12 11.337 8.835 -10.777 100 HA ASP 12 HA ASP 12 11.108 6.776 -12.784 101 1HB ASP 12 1HB ASP 12 8.974 7.868 -10.933 102 2HB ASP 12 2HB ASP 12 8.985 6.300 -11.755 103 H ALA 13 H ALA 13 9.837 6.691 -14.542 104 HA ALA 13 HA ALA 13 9.173 9.132 -15.915 105 1HB ALA 13 1HB ALA 13 10.053 7.151 -17.095 106 2HB ALA 13 2HB ALA 13 8.608 6.224 -16.633 107 3HB ALA 13 3HB ALA 13 8.461 7.615 -17.729 108 H GLU 14 H GLU 14 7.290 6.542 -14.481 109 HA GLU 14 HA GLU 14 4.703 7.441 -15.216 110 1HB GLU 14 1HB GLU 14 5.501 5.854 -12.729 111 2HB GLU 14 2HB GLU 14 3.900 5.968 -13.469 112 1HG GLU 14 1HG GLU 14 4.514 4.024 -14.440 113 2HG GLU 14 2HG GLU 14 5.252 5.082 -15.641 114 H ALA 15 H ALA 15 6.775 8.241 -12.462 115 HA ALA 15 HA ALA 15 4.800 9.794 -11.018 116 1HB ALA 15 1HB ALA 15 6.792 8.774 -9.908 117 2HB ALA 15 2HB ALA 15 7.841 9.884 -10.832 118 3HB ALA 15 3HB ALA 15 6.686 10.530 -9.660 119 H VAL 16 H VAL 16 7.062 10.386 -13.598 120 HA VAL 16 HA VAL 16 6.920 13.334 -13.362 121 HB VAL 16 HB VAL 16 8.591 11.418 -14.810 122 1HG1 VAL 16 1HG1 VAL 16 7.871 13.893 -16.328 123 2HG1 VAL 16 2HG1 VAL 16 9.219 12.777 -16.659 124 3HG1 VAL 16 3HG1 VAL 16 7.562 12.200 -16.819 125 1HG2 VAL 16 1HG2 VAL 16 9.385 12.670 -13.005 126 2HG2 VAL 16 2HG2 VAL 16 10.297 12.929 -14.503 127 3HG2 VAL 16 3HG2 VAL 16 9.149 14.179 -13.946 128 H GLN 17 H GLN 17 5.553 10.661 -15.265 129 HA GLN 17 HA GLN 17 4.205 12.367 -17.123 130 1HB GLN 17 1HB GLN 17 4.640 9.980 -17.599 131 2HB GLN 17 2HB GLN 17 3.381 9.528 -16.420 132 1HG GLN 17 1HG GLN 17 1.673 10.627 -17.725 133 2HG GLN 17 2HG GLN 17 2.874 11.442 -18.734 134 1HE2 GLN 17 2HE2 GLN 17 1.271 8.317 -18.114 135 2HE2 GLN 17 1HE2 GLN 17 1.725 7.633 -19.668 136 H LYS 18 H LYS 18 3.187 10.735 -14.086 137 HA LYS 18 HA LYS 18 0.510 11.664 -14.247 138 1HB LYS 18 1HB LYS 18 0.156 10.973 -12.039 139 2HB LYS 18 2HB LYS 18 1.225 9.821 -12.825 140 1HG LYS 18 1HG LYS 18 2.518 9.918 -11.068 141 2HG LYS 18 2HG LYS 18 3.011 11.543 -11.514 142 1HD LYS 18 1HD LYS 18 0.680 10.767 -9.702 143 2HD LYS 18 2HD LYS 18 2.276 11.317 -9.162 144 1HE LYS 18 1HE LYS 18 1.894 13.524 -10.204 145 2HE LYS 18 2HE LYS 18 0.267 13.003 -10.710 146 1HZ LYS 18 1HZ LYS 18 -0.231 12.681 -8.372 147 2HZ LYS 18 2HZ LYS 18 1.242 13.311 -7.954 148 3HZ LYS 18 3HZ LYS 18 0.126 14.234 -8.757 149 H PHE 19 H PHE 19 3.352 13.179 -12.713 150 HA PHE 19 HA PHE 19 1.898 15.458 -11.716 151 1HB PHE 19 1HB PHE 19 3.926 15.127 -10.605 152 2HB PHE 19 2HB PHE 19 4.795 14.708 -12.081 153 HD1 PHE 19 HD1 PHE 19 5.634 16.335 -13.632 154 HD2 PHE 19 HD2 PHE 19 3.618 17.570 -10.027 155 HE1 PHE 19 HE1 PHE 19 6.438 18.660 -13.940 156 HE2 PHE 19 HE2 PHE 19 4.461 19.873 -10.350 157 HZ PHE 19 HZ PHE 19 5.917 20.386 -12.413 158 H PHE 20 H PHE 20 3.821 14.898 -14.664 159 HA PHE 20 HA PHE 20 3.803 17.474 -15.751 160 1HB PHE 20 1HB PHE 20 5.139 15.803 -16.704 161 2HB PHE 20 2HB PHE 20 3.766 14.733 -17.023 162 HD1 PHE 20 HD1 PHE 20 4.955 18.162 -17.936 163 HD2 PHE 20 HD2 PHE 20 3.245 14.430 -19.247 164 HE1 PHE 20 HE1 PHE 20 5.025 18.951 -20.292 165 HE2 PHE 20 HE2 PHE 20 3.322 15.220 -21.593 166 HZ PHE 20 HZ PHE 20 4.227 17.468 -22.114 167 H LEU 21 H LEU 21 1.438 14.785 -16.172 168 HA LEU 21 HA LEU 21 -0.531 16.288 -17.609 169 1HB LEU 21 1HB LEU 21 -0.233 13.601 -16.298 170 2HB LEU 21 2HB LEU 21 -1.839 14.224 -16.130 171 HG LEU 21 HG LEU 21 -0.532 13.894 -18.896 172 1HD1 LEU 21 1HD1 LEU 21 -2.294 12.039 -17.243 173 2HD1 LEU 21 2HD1 LEU 21 -1.867 11.814 -18.952 174 3HD1 LEU 21 3HD1 LEU 21 -0.607 11.766 -17.718 175 1HD2 LEU 21 1HD2 LEU 21 -3.327 14.539 -17.808 176 2HD2 LEU 21 2HD2 LEU 21 -2.339 15.512 -18.911 177 3HD2 LEU 21 3HD2 LEU 21 -3.034 13.979 -19.439 178 H GLU 22 H GLU 22 -0.128 15.648 -14.130 179 HA GLU 22 HA GLU 22 -2.571 16.786 -13.317 180 1HB GLU 22 1HB GLU 22 -0.981 15.536 -11.840 181 2HB GLU 22 2HB GLU 22 0.059 16.975 -11.791 182 1HG GLU 22 1HG GLU 22 -1.781 18.267 -10.772 183 2HG GLU 22 2HG GLU 22 -2.817 16.830 -10.818 184 H GLU 23 H GLU 23 0.463 18.307 -14.292 185 HA GLU 23 HA GLU 23 -0.301 20.987 -13.451 186 1HB GLU 23 1HB GLU 23 2.050 19.955 -13.499 187 2HB GLU 23 2HB GLU 23 2.052 20.257 -15.243 188 1HG GLU 23 1HG GLU 23 1.795 22.625 -14.868 189 2HG GLU 23 2HG GLU 23 1.457 22.388 -13.143 190 H ILE 24 H ILE 24 -0.008 19.181 -16.476 191 HA ILE 24 HA ILE 24 -0.802 21.212 -18.350 192 HB ILE 24 HB ILE 24 -0.592 18.226 -18.393 193 1HG1 ILE 24 1HG1 ILE 24 0.202 20.356 -20.333 194 2HG1 ILE 24 2HG1 ILE 24 1.092 18.957 -19.716 195 1HG2 ILE 24 1HG2 ILE 24 -2.960 18.239 -18.792 196 2HG2 ILE 24 2HG2 ILE 24 -2.673 19.292 -20.205 197 3HG2 ILE 24 3HG2 ILE 24 -2.058 17.630 -20.106 198 1HD1 ILE 24 1HD1 ILE 24 -1.149 18.830 -21.781 199 2HD1 ILE 24 2HD1 ILE 24 0.566 18.793 -22.063 200 3HD1 ILE 24 3HD1 ILE 24 -0.166 17.470 -21.155 201 H GLN 25 H GLN 25 -2.782 18.931 -16.473 202 HA GLN 25 HA GLN 25 -5.234 20.128 -17.434 203 1HB GLN 25 1HB GLN 25 -6.421 18.495 -16.423 204 2HB GLN 25 2HB GLN 25 -4.914 17.715 -16.926 205 1HG GLN 25 1HG GLN 25 -4.058 18.128 -14.602 206 2HG GLN 25 2HG GLN 25 -5.690 18.686 -14.156 207 1HE2 GLN 25 2HE2 GLN 25 -4.748 16.648 -12.655 208 2HE2 GLN 25 1HE2 GLN 25 -5.495 15.129 -13.112 209 H LEU 26 H LEU 26 -3.406 20.418 -14.459 210 HA LEU 26 HA LEU 26 -5.336 21.955 -12.988 211 1HB LEU 26 1HB LEU 26 -3.586 20.906 -11.826 212 2HB LEU 26 2HB LEU 26 -2.333 21.722 -12.795 213 HG LEU 26 HG LEU 26 -2.355 22.421 -10.547 214 1HD1 LEU 26 1HD1 LEU 26 -1.768 24.023 -12.406 215 2HD1 LEU 26 2HD1 LEU 26 -3.349 24.804 -12.120 216 3HD1 LEU 26 3HD1 LEU 26 -2.167 24.718 -10.814 217 1HD2 LEU 26 1HD2 LEU 26 -4.690 22.027 -10.045 218 2HD2 LEU 26 2HD2 LEU 26 -4.170 23.660 -9.556 219 3HD2 LEU 26 3HD2 LEU 26 -5.154 23.442 -11.036 220 H GLY 27 H GLY 27 -2.708 22.877 -15.224 221 1HA GLY 27 1HA GLY 27 -3.096 25.722 -15.096 222 2HA GLY 27 2HA GLY 27 -2.371 24.838 -16.462 223 H GLU 28 H GLU 28 -4.203 23.385 -17.695 224 HA GLU 28 HA GLU 28 -5.860 25.203 -18.935 225 1HB GLU 28 1HB GLU 28 -5.301 22.891 -19.653 226 2HB GLU 28 2HB GLU 28 -6.617 22.284 -18.629 227 1HG GLU 28 1HG GLU 28 -7.329 24.548 -20.486 228 2HG GLU 28 2HG GLU 28 -6.826 23.069 -21.287 229 H GLU 29 H GLU 29 -6.731 23.336 -16.083 230 HA GLU 29 HA GLU 29 -9.452 24.239 -15.863 231 1HB GLU 29 1HB GLU 29 -8.694 22.264 -14.681 232 2HB GLU 29 2HB GLU 29 -7.549 23.233 -13.729 233 1HG GLU 29 1HG GLU 29 -9.381 22.724 -12.329 234 2HG GLU 29 2HG GLU 29 -9.520 24.438 -12.709 235 H LEU 30 H LEU 30 -6.391 25.568 -14.422 236 HA LEU 30 HA LEU 30 -7.769 27.690 -13.069 237 1HB LEU 30 1HB LEU 30 -4.901 27.165 -13.954 238 2HB LEU 30 2HB LEU 30 -5.324 28.812 -13.560 239 HG LEU 30 HG LEU 30 -5.453 26.475 -11.614 240 1HD1 LEU 30 1HD1 LEU 30 -3.182 27.264 -12.278 241 2HD1 LEU 30 2HD1 LEU 30 -3.629 28.905 -11.763 242 3HD1 LEU 30 3HD1 LEU 30 -3.560 27.589 -10.575 243 1HD2 LEU 30 1HD2 LEU 30 -6.004 29.475 -11.219 244 2HD2 LEU 30 2HD2 LEU 30 -7.180 28.166 -10.984 245 3HD2 LEU 30 3HD2 LEU 30 -5.789 28.307 -9.908 246 H LEU 31 H LEU 31 -6.478 27.403 -16.348 247 HA LEU 31 HA LEU 31 -7.140 30.155 -17.114 248 1HB LEU 31 1HB LEU 31 -6.695 27.582 -18.643 249 2HB LEU 31 2HB LEU 31 -7.015 29.127 -19.433 250 HG LEU 31 HG LEU 31 -4.995 30.030 -18.927 251 1HD1 LEU 31 1HD1 LEU 31 -5.103 29.791 -16.365 252 2HD1 LEU 31 2HD1 LEU 31 -4.284 28.238 -16.584 253 3HD1 LEU 31 3HD1 LEU 31 -3.561 29.732 -17.140 254 1HD2 LEU 31 1HD2 LEU 31 -4.762 27.942 -20.217 255 2HD2 LEU 31 2HD2 LEU 31 -3.301 28.266 -19.238 256 3HD2 LEU 31 3HD2 LEU 31 -4.471 27.056 -18.698 257 H ALA 32 H ALA 32 -8.911 27.132 -16.945 258 HA ALA 32 HA ALA 32 -11.240 28.044 -18.274 259 1HB ALA 32 1HB ALA 32 -10.687 25.640 -17.441 260 2HB ALA 32 2HB ALA 32 -11.395 26.155 -15.896 261 3HB ALA 32 3HB ALA 32 -12.374 26.184 -17.351 262 H GLN 33 H GLN 33 -9.843 28.967 -15.235 263 HA GLN 33 HA GLN 33 -12.317 30.240 -14.269 264 1HB GLN 33 1HB GLN 33 -10.159 28.974 -12.968 265 2HB GLN 33 2HB GLN 33 -9.847 30.703 -12.737 266 1HG GLN 33 1HG GLN 33 -12.246 30.922 -11.937 267 2HG GLN 33 2HG GLN 33 -12.404 29.164 -12.107 268 1HE2 GLN 33 2HE2 GLN 33 -10.221 31.611 -10.547 269 2HE2 GLN 33 1HE2 GLN 33 -10.002 30.687 -9.073 270 H GLY 34 H GLY 34 -9.171 30.871 -15.637 271 1HA GLY 34 1HA GLY 34 -9.127 32.748 -17.254 272 2HA GLY 34 2HA GLY 34 -9.777 33.782 -15.980 273 H ASP 35 H ASP 35 -7.386 31.395 -14.932 274 HA ASP 35 HA ASP 35 -5.541 33.704 -14.492 275 1HB ASP 35 1HB ASP 35 -6.324 32.143 -12.646 276 2HB ASP 35 2HB ASP 35 -5.196 30.959 -13.315 277 H TYR 36 H TYR 36 -5.472 33.393 -16.993 278 HA TYR 36 HA TYR 36 -3.793 31.709 -18.368 279 1HB TYR 36 1HB TYR 36 -3.319 33.780 -19.791 280 2HB TYR 36 2HB TYR 36 -4.941 33.115 -19.690 281 HD1 TYR 36 HD1 TYR 36 -2.814 35.896 -18.348 282 HD2 TYR 36 HD2 TYR 36 -6.796 34.359 -18.965 283 HE1 TYR 36 HE1 TYR 36 -3.772 38.073 -17.649 284 HE2 TYR 36 HE2 TYR 36 -7.747 36.522 -18.275 285 HH TYR 36 HH TYR 36 -7.302 38.655 -17.515 286 H GLU 37 H GLU 37 -2.699 34.407 -16.424 287 HA GLU 37 HA GLU 37 0.037 34.068 -17.282 288 1HB GLU 37 1HB GLU 37 -1.010 35.486 -14.806 289 2HB GLU 37 2HB GLU 37 0.695 35.367 -15.268 290 1HG GLU 37 1HG GLU 37 -0.151 36.287 -17.616 291 2HG GLU 37 2HG GLU 37 -1.495 36.900 -16.641 292 H LYS 38 H LYS 38 -1.811 32.609 -14.712 293 HA LYS 38 HA LYS 38 0.530 31.193 -13.689 294 1HB LYS 38 1HB LYS 38 -2.421 31.114 -13.133 295 2HB LYS 38 2HB LYS 38 -1.581 29.605 -12.881 296 1HG LYS 38 1HG LYS 38 -0.505 32.166 -11.651 297 2HG LYS 38 2HG LYS 38 -1.747 31.196 -10.842 298 1HD LYS 38 1HD LYS 38 -0.443 29.287 -10.715 299 2HD LYS 38 2HD LYS 38 0.712 29.800 -11.955 300 1HE LYS 38 1HE LYS 38 1.523 31.563 -10.320 301 2HE LYS 38 2HE LYS 38 0.519 30.761 -9.091 302 1HZ LYS 38 1HZ LYS 38 1.756 28.696 -9.702 303 2HZ LYS 38 2HZ LYS 38 2.753 29.596 -10.633 304 3HZ LYS 38 3HZ LYS 38 2.710 29.864 -9.011 305 H GLY 39 H GLY 39 -1.848 30.637 -16.241 306 1HA GLY 39 1HA GLY 39 -1.230 27.901 -16.762 307 2HA GLY 39 2HA GLY 39 -1.745 29.109 -17.971 308 H VAL 40 H VAL 40 0.342 31.000 -17.755 309 HA VAL 40 HA VAL 40 2.135 29.723 -19.584 310 HB VAL 40 HB VAL 40 2.528 32.348 -18.043 311 1HG1 VAL 40 1HG1 VAL 40 3.920 31.175 -20.465 312 2HG1 VAL 40 2HG1 VAL 40 4.080 32.861 -19.955 313 3HG1 VAL 40 3HG1 VAL 40 4.660 31.567 -18.907 314 1HG2 VAL 40 1HG2 VAL 40 1.252 31.808 -20.760 315 2HG2 VAL 40 2HG2 VAL 40 0.575 32.694 -19.390 316 3HG2 VAL 40 3HG2 VAL 40 1.898 33.385 -20.307 317 H ASP 41 H ASP 41 2.467 30.601 -16.192 318 HA ASP 41 HA ASP 41 5.152 29.703 -15.802 319 1HB ASP 41 1HB ASP 41 4.245 31.176 -14.168 320 2HB ASP 41 2HB ASP 41 2.812 30.169 -13.922 321 H HIS 42 H HIS 42 2.094 28.128 -15.055 322 HA HIS 42 HA HIS 42 3.219 25.642 -14.183 323 1HB HIS 42 1HB HIS 42 0.423 26.380 -15.113 324 2HB HIS 42 2HB HIS 42 0.868 24.791 -14.490 325 HD1 HIS 42 HD1 HIS 42 -1.218 26.079 -12.887 326 HD2 HIS 42 HD2 HIS 42 2.837 26.841 -12.164 327 HE1 HIS 42 HE1 HIS 42 -1.012 26.894 -10.489 328 H LEU 43 H LEU 43 2.151 26.786 -17.419 329 HA LEU 43 HA LEU 43 2.477 24.106 -18.499 330 1HB LEU 43 1HB LEU 43 1.189 26.133 -19.597 331 2HB LEU 43 2HB LEU 43 2.785 26.529 -20.254 332 HG LEU 43 HG LEU 43 2.696 23.878 -20.831 333 1HD1 LEU 43 1HD1 LEU 43 0.447 23.580 -19.695 334 2HD1 LEU 43 2HD1 LEU 43 -0.253 24.732 -20.848 335 3HD1 LEU 43 3HD1 LEU 43 0.390 23.188 -21.425 336 1HD2 LEU 43 1HD2 LEU 43 1.191 26.024 -22.390 337 2HD2 LEU 43 2HD2 LEU 43 2.922 25.610 -22.532 338 3HD2 LEU 43 3HD2 LEU 43 1.686 24.445 -23.040 339 H THR 44 H THR 44 4.517 27.058 -18.189 340 HA THR 44 HA THR 44 6.777 26.157 -19.536 341 HB THR 44 HB THR 44 6.693 27.981 -17.139 342 HG1 THR 44 HG1 THR 44 5.680 28.700 -19.040 343 1HG2 THR 44 1HG2 THR 44 8.964 27.307 -19.059 344 2HG2 THR 44 2HG2 THR 44 8.935 28.703 -17.962 345 3HG2 THR 44 3HG2 THR 44 8.965 27.064 -17.296 346 H ASN 45 H ASN 45 5.665 25.433 -16.287 347 HA ASN 45 HA ASN 45 7.998 23.978 -15.400 348 1HB ASN 45 1HB ASN 45 5.200 24.192 -14.344 349 2HB ASN 45 2HB ASN 45 6.305 22.944 -13.744 350 1HD2 ASN 45 2HD2 ASN 45 5.935 26.499 -14.076 351 2HD2 ASN 45 1HD2 ASN 45 7.012 26.886 -12.768 352 H ALA 46 H ALA 46 4.906 23.005 -16.942 353 HA ALA 46 HA ALA 46 5.321 20.245 -16.895 354 1HB ALA 46 1HB ALA 46 3.205 21.387 -17.484 355 2HB ALA 46 2HB ALA 46 3.867 21.762 -19.089 356 3HB ALA 46 3HB ALA 46 3.625 20.087 -18.585 357 H ILE 47 H ILE 47 6.410 22.737 -19.260 358 HA ILE 47 HA ILE 47 7.850 20.907 -20.937 359 HB ILE 47 HB ILE 47 8.245 23.880 -20.544 360 1HG1 ILE 47 1HG1 ILE 47 7.362 23.927 -22.985 361 2HG1 ILE 47 2HG1 ILE 47 6.827 22.257 -22.740 362 1HG2 ILE 47 1HG2 ILE 47 9.693 22.049 -22.408 363 2HG2 ILE 47 2HG2 ILE 47 9.662 23.827 -22.573 364 3HG2 ILE 47 3HG2 ILE 47 10.381 23.109 -21.163 365 1HD1 ILE 47 1HD1 ILE 47 6.019 24.618 -21.030 366 2HD1 ILE 47 2HD1 ILE 47 5.098 24.062 -22.425 367 3HD1 ILE 47 3HD1 ILE 47 5.285 22.975 -21.053 368 H ALA 48 H ALA 48 8.692 22.486 -17.958 369 HA ALA 48 HA ALA 48 11.510 22.079 -18.128 370 1HB ALA 48 1HB ALA 48 10.462 23.658 -16.493 371 2HB ALA 48 2HB ALA 48 9.938 22.247 -15.534 372 3HB ALA 48 3HB ALA 48 11.657 22.549 -15.791 373 H VAL 49 H VAL 49 8.847 19.969 -17.222 374 HA VAL 49 HA VAL 49 10.818 17.893 -16.368 375 HB VAL 49 HB VAL 49 9.049 16.748 -15.430 376 1HG1 VAL 49 1HG1 VAL 49 10.033 18.869 -14.332 377 2HG1 VAL 49 2HG1 VAL 49 8.486 19.646 -14.715 378 3HG1 VAL 49 3HG1 VAL 49 8.534 18.219 -13.658 379 1HG2 VAL 49 1HG2 VAL 49 7.238 17.336 -17.171 380 2HG2 VAL 49 2HG2 VAL 49 6.758 17.217 -15.488 381 3HG2 VAL 49 3HG2 VAL 49 6.989 18.816 -16.216 382 H CYS 50 H CYS 50 8.943 18.839 -19.148 383 HA CYS 50 HA CYS 50 8.938 16.062 -20.218 384 1HB CYS 50 1HB CYS 50 7.009 17.184 -20.655 385 2HB CYS 50 2HB CYS 50 7.814 18.679 -21.181 386 HG CYS 50 HG CYS 50 8.047 15.711 -22.596 387 H GLY 51 H GLY 51 10.512 19.204 -20.986 388 1HA GLY 51 1HA GLY 51 12.547 19.632 -21.922 389 2HA GLY 51 2HA GLY 51 12.934 17.907 -21.886 390 H GLN 52 H GLN 52 10.012 19.023 -23.463 391 HA GLN 52 HA GLN 52 11.153 19.136 -26.219 392 1HB GLN 52 1HB GLN 52 10.790 16.697 -25.604 393 2HB GLN 52 2HB GLN 52 9.067 17.065 -25.557 394 1HG GLN 52 1HG GLN 52 9.597 16.246 -27.763 395 2HG GLN 52 2HG GLN 52 9.283 17.988 -27.901 396 1HE2 GLN 52 2HE2 GLN 52 12.079 15.751 -27.327 397 2HE2 GLN 52 1HE2 GLN 52 13.175 16.641 -28.363 398 HA PRO 53 HA PRO 53 7.695 22.002 -24.815 399 1HB PRO 53 1HB PRO 53 8.634 24.179 -26.361 400 2HB PRO 53 2HB PRO 53 8.935 23.914 -24.637 401 1HG PRO 53 1HG PRO 53 10.703 23.151 -26.964 402 2HG PRO 53 2HG PRO 53 11.172 23.925 -25.423 403 1HD PRO 53 1HD PRO 53 11.566 21.335 -25.719 404 2HD PRO 53 2HD PRO 53 10.834 21.935 -24.218 405 H GLN 54 H GLN 54 9.209 22.053 -27.989 406 HA GLN 54 HA GLN 54 6.927 22.821 -29.476 407 1HB GLN 54 1HB GLN 54 9.285 21.130 -30.461 408 2HB GLN 54 2HB GLN 54 8.185 22.098 -31.452 409 1HG GLN 54 1HG GLN 54 9.071 24.182 -30.258 410 2HG GLN 54 2HG GLN 54 10.256 23.155 -29.449 411 1HE2 GLN 54 2HE2 GLN 54 9.049 23.965 -32.757 412 2HE2 GLN 54 1HE2 GLN 54 10.626 23.843 -33.509 413 H GLN 55 H GLN 55 8.005 19.484 -28.745 414 HA GLN 55 HA GLN 55 5.973 18.351 -30.361 415 1HB GLN 55 1HB GLN 55 7.866 17.001 -29.471 416 2HB GLN 55 2HB GLN 55 7.150 17.106 -27.844 417 1HG GLN 55 1HG GLN 55 6.657 14.957 -28.983 418 2HG GLN 55 2HG GLN 55 5.199 15.857 -28.555 419 1HE2 GLN 55 2HE2 GLN 55 7.511 15.955 -31.366 420 2HE2 GLN 55 1HE2 GLN 55 6.242 15.926 -32.573 421 H LEU 56 H LEU 56 5.999 19.341 -26.950 422 HA LEU 56 HA LEU 56 3.374 18.507 -26.545 423 1HB LEU 56 1HB LEU 56 4.943 18.947 -24.669 424 2HB LEU 56 2HB LEU 56 4.811 20.681 -24.999 425 HG LEU 56 HG LEU 56 2.353 20.543 -24.524 426 1HD1 LEU 56 1HD1 LEU 56 2.704 17.679 -24.627 427 2HD1 LEU 56 2HD1 LEU 56 2.383 18.077 -22.952 428 3HD1 LEU 56 3HD1 LEU 56 1.250 18.562 -24.169 429 1HD2 LEU 56 1HD2 LEU 56 4.340 19.758 -22.401 430 2HD2 LEU 56 2HD2 LEU 56 3.854 21.380 -22.906 431 3HD2 LEU 56 3HD2 LEU 56 2.689 20.340 -22.065 432 H LEU 57 H LEU 57 4.709 21.624 -27.730 433 HA LEU 57 HA LEU 57 2.137 22.944 -27.633 434 1HB LEU 57 1HB LEU 57 4.406 23.673 -29.501 435 2HB LEU 57 2HB LEU 57 3.030 24.661 -29.008 436 HG LEU 57 HG LEU 57 5.527 23.987 -27.484 437 1HD1 LEU 57 1HD1 LEU 57 5.295 26.057 -28.804 438 2HD1 LEU 57 2HD1 LEU 57 3.962 26.527 -27.722 439 3HD1 LEU 57 3HD1 LEU 57 5.601 26.332 -27.076 440 1HD2 LEU 57 1HD2 LEU 57 2.951 24.878 -26.095 441 2HD2 LEU 57 2HD2 LEU 57 3.824 23.361 -25.786 442 3HD2 LEU 57 3HD2 LEU 57 4.570 24.899 -25.380 443 H GLN 58 H GLN 58 3.550 20.891 -30.207 444 HA GLN 58 HA GLN 58 1.316 21.510 -31.950 445 1HB GLN 58 1HB GLN 58 1.896 19.617 -33.283 446 2HB GLN 58 2HB GLN 58 3.295 20.650 -32.970 447 1HG GLN 58 1HG GLN 58 4.193 19.101 -31.392 448 2HG GLN 58 2HG GLN 58 2.757 18.056 -31.451 449 1HE2 GLN 58 2HE2 GLN 58 2.179 17.248 -33.748 450 2HE2 GLN 58 1HE2 GLN 58 3.541 16.698 -34.705 451 H VAL 59 H VAL 59 1.943 19.066 -29.457 452 HA VAL 59 HA VAL 59 -0.449 17.621 -29.879 453 HB VAL 59 HB VAL 59 1.764 17.156 -28.364 454 1HG1 VAL 59 1HG1 VAL 59 -0.472 17.754 -26.338 455 2HG1 VAL 59 2HG1 VAL 59 0.937 16.737 -25.988 456 3HG1 VAL 59 3HG1 VAL 59 1.132 18.419 -26.358 457 1HG2 VAL 59 1HG2 VAL 59 -0.740 15.669 -28.266 458 2HG2 VAL 59 2HG2 VAL 59 0.693 15.479 -29.295 459 3HG2 VAL 59 3HG2 VAL 59 0.828 15.217 -27.548 460 H LEU 60 H LEU 60 0.167 20.550 -28.047 461 HA LEU 60 HA LEU 60 -2.491 20.567 -26.772 462 1HB LEU 60 1HB LEU 60 -0.123 22.425 -27.096 463 2HB LEU 60 2HB LEU 60 -1.662 23.136 -26.677 464 HG LEU 60 HG LEU 60 0.064 22.567 -24.893 465 1HD1 LEU 60 1HD1 LEU 60 -2.909 21.783 -24.616 466 2HD1 LEU 60 2HD1 LEU 60 -1.872 22.142 -23.229 467 3HD1 LEU 60 3HD1 LEU 60 -2.266 23.419 -24.397 468 1HD2 LEU 60 1HD2 LEU 60 0.300 20.166 -25.390 469 2HD2 LEU 60 2HD2 LEU 60 -0.148 20.486 -23.713 470 3HD2 LEU 60 3HD2 LEU 60 -1.358 19.866 -24.854 471 H GLN 61 H GLN 61 -0.985 21.886 -29.739 472 HA GLN 61 HA GLN 61 -3.232 23.644 -30.254 473 1HB GLN 61 1HB GLN 61 -1.015 24.188 -31.062 474 2HB GLN 61 2HB GLN 61 -0.964 22.755 -32.092 475 1HG GLN 61 1HG GLN 61 -3.008 25.007 -32.367 476 2HG GLN 61 2HG GLN 61 -1.457 24.978 -33.211 477 1HE2 GLN 61 2HE2 GLN 61 -4.283 24.906 -34.280 478 2HE2 GLN 61 1HE2 GLN 61 -4.295 23.497 -35.321 479 H GLN 62 H GLN 62 -2.302 20.419 -31.303 480 HA GLN 62 HA GLN 62 -4.310 20.146 -33.286 481 1HB GLN 62 1HB GLN 62 -3.573 17.990 -33.556 482 2HB GLN 62 2HB GLN 62 -2.154 18.853 -32.950 483 1HG GLN 62 1HG GLN 62 -2.746 17.972 -30.654 484 2HG GLN 62 2HG GLN 62 -3.998 16.974 -31.405 485 1HE2 GLN 62 2HE2 GLN 62 -2.995 15.013 -30.711 486 2HE2 GLN 62 1HE2 GLN 62 -1.504 14.447 -31.435 487 H THR 63 H THR 63 -4.326 19.484 -29.756 488 HA THR 63 HA THR 63 -7.012 18.361 -29.916 489 HB THR 63 HB THR 63 -5.484 17.520 -28.265 490 HG1 THR 63 HG1 THR 63 -7.920 18.731 -27.491 491 1HG2 THR 63 1HG2 THR 63 -5.766 20.267 -26.980 492 2HG2 THR 63 2HG2 THR 63 -5.419 18.815 -26.063 493 3HG2 THR 63 3HG2 THR 63 -4.300 19.330 -27.340 494 H LEU 64 H LEU 64 -5.568 21.494 -29.186 495 HA LEU 64 HA LEU 64 -8.156 22.814 -29.510 496 1HB LEU 64 1HB LEU 64 -8.437 21.899 -27.244 497 2HB LEU 64 2HB LEU 64 -6.862 22.527 -26.780 498 HG LEU 64 HG LEU 64 -7.799 24.879 -27.080 499 1HD1 LEU 64 1HD1 LEU 64 -10.432 23.337 -27.263 500 2HD1 LEU 64 2HD1 LEU 64 -10.264 25.092 -27.054 501 3HD1 LEU 64 3HD1 LEU 64 -9.726 24.327 -28.557 502 1HD2 LEU 64 1HD2 LEU 64 -9.101 22.975 -25.092 503 2HD2 LEU 64 2HD2 LEU 64 -7.525 23.769 -24.911 504 3HD2 LEU 64 3HD2 LEU 64 -9.006 24.743 -24.926 505 HA PRO 65 HA PRO 65 -4.652 25.689 -30.482 506 1HB PRO 65 1HB PRO 65 -6.111 27.766 -31.516 507 2HB PRO 65 2HB PRO 65 -5.626 26.300 -32.410 508 1HG PRO 65 1HG PRO 65 -8.273 26.833 -31.054 509 2HG PRO 65 2HG PRO 65 -7.989 26.206 -32.705 510 1HD PRO 65 1HD PRO 65 -8.565 24.567 -30.664 511 2HD PRO 65 2HD PRO 65 -7.323 24.067 -31.853 512 HA PRO 66 HA PRO 66 -5.762 27.691 -26.489 513 1HB PRO 66 1HB PRO 66 -3.126 27.783 -25.532 514 2HB PRO 66 2HB PRO 66 -4.381 26.591 -25.180 515 1HG PRO 66 1HG PRO 66 -2.006 26.028 -26.633 516 2HG PRO 66 2HG PRO 66 -3.480 25.031 -26.528 517 1HD PRO 66 1HD PRO 66 -2.720 27.001 -28.673 518 2HD PRO 66 2HD PRO 66 -3.429 25.385 -28.804 519 HA PRO 67 HA PRO 67 -4.597 31.823 -28.072 520 1HB PRO 67 1HB PRO 67 -6.173 33.351 -26.432 521 2HB PRO 67 2HB PRO 67 -6.811 32.475 -27.853 522 1HG PRO 67 1HG PRO 67 -6.884 31.600 -24.960 523 2HG PRO 67 2HG PRO 67 -8.215 31.577 -26.150 524 1HD PRO 67 1HD PRO 67 -6.739 29.375 -25.572 525 2HD PRO 67 2HD PRO 67 -7.327 29.669 -27.238 526 H VAL 68 H VAL 68 -4.809 30.627 -24.779 527 HA VAL 68 HA VAL 68 -3.161 32.406 -23.343 528 HB VAL 68 HB VAL 68 -3.646 29.377 -23.066 529 1HG1 VAL 68 1HG1 VAL 68 -2.087 31.283 -21.318 530 2HG1 VAL 68 2HG1 VAL 68 -2.749 29.727 -20.763 531 3HG1 VAL 68 3HG1 VAL 68 -1.549 29.749 -22.050 532 1HG2 VAL 68 1HG2 VAL 68 -5.635 30.859 -22.748 533 2HG2 VAL 68 2HG2 VAL 68 -5.134 30.080 -21.247 534 3HG2 VAL 68 3HG2 VAL 68 -4.726 31.785 -21.538 535 H PHE 69 H PHE 69 -2.345 29.517 -25.223 536 HA PHE 69 HA PHE 69 0.403 29.405 -24.736 537 1HB PHE 69 1HB PHE 69 -0.015 27.602 -25.936 538 2HB PHE 69 2HB PHE 69 -1.342 28.346 -26.799 539 HD1 PHE 69 HD1 PHE 69 2.415 28.385 -26.717 540 HD2 PHE 69 HD2 PHE 69 -1.180 28.794 -29.054 541 HE1 PHE 69 HE1 PHE 69 3.776 28.560 -28.800 542 HE2 PHE 69 HE2 PHE 69 0.178 28.960 -31.127 543 HZ PHE 69 HZ PHE 69 2.661 28.845 -30.997 544 H GLN 70 H GLN 70 -1.351 31.410 -27.011 545 HA GLN 70 HA GLN 70 0.798 32.626 -28.397 546 1HB GLN 70 1HB GLN 70 -1.709 32.621 -28.987 547 2HB GLN 70 2HB GLN 70 -1.823 34.040 -27.923 548 1HG GLN 70 1HG GLN 70 -0.114 35.197 -29.310 549 2HG GLN 70 2HG GLN 70 -0.014 33.768 -30.353 550 1HE2 GLN 70 2HE2 GLN 70 -2.534 35.954 -28.934 551 2HE2 GLN 70 1HE2 GLN 70 -3.482 36.065 -30.404 552 H MET 71 H MET 71 -0.412 33.145 -25.209 553 HA MET 71 HA MET 71 0.864 35.765 -24.803 554 1HB MET 71 1HB MET 71 -0.781 34.196 -22.788 555 2HB MET 71 2HB MET 71 -0.299 35.896 -22.775 556 1HG MET 71 1HG MET 71 -1.655 35.926 -25.105 557 2HG MET 71 2HG MET 71 -2.470 34.546 -24.374 558 1HE MET 71 1HE MET 71 -3.830 34.688 -22.128 559 2HE MET 71 2HE MET 71 -2.473 35.456 -21.258 560 3HE MET 71 3HE MET 71 -4.092 36.197 -21.222 561 H LEU 72 H LEU 72 1.085 32.309 -23.996 562 HA LEU 72 HA LEU 72 3.099 32.504 -22.070 563 1HB LEU 72 1HB LEU 72 2.372 30.352 -21.991 564 2HB LEU 72 2HB LEU 72 1.835 30.425 -23.641 565 HG LEU 72 HG LEU 72 4.171 29.921 -24.403 566 1HD1 LEU 72 1HD1 LEU 72 5.346 30.568 -22.210 567 2HD1 LEU 72 2HD1 LEU 72 4.577 29.158 -21.465 568 3HD1 LEU 72 3HD1 LEU 72 5.732 28.942 -22.792 569 1HD2 LEU 72 1HD2 LEU 72 2.760 27.955 -22.582 570 2HD2 LEU 72 2HD2 LEU 72 2.425 28.218 -24.304 571 3HD2 LEU 72 3HD2 LEU 72 3.978 27.529 -23.807 572 H LEU 73 H LEU 73 3.384 32.052 -25.569 573 HA LEU 73 HA LEU 73 6.311 32.279 -25.313 574 1HB LEU 73 1HB LEU 73 6.549 31.769 -27.459 575 2HB LEU 73 2HB LEU 73 4.999 30.991 -27.091 576 HG LEU 73 HG LEU 73 5.481 33.607 -28.625 577 1HD1 LEU 73 1HD1 LEU 73 5.879 31.483 -29.807 578 2HD1 LEU 73 2HD1 LEU 73 4.242 30.939 -29.354 579 3HD1 LEU 73 3HD1 LEU 73 4.439 32.343 -30.433 580 1HD2 LEU 73 1HD2 LEU 73 2.891 32.222 -27.885 581 2HD2 LEU 73 2HD2 LEU 73 3.419 33.787 -27.234 582 3HD2 LEU 73 3HD2 LEU 73 3.030 33.641 -28.955 583 H THR 74 H THR 74 4.048 34.623 -25.073 584 HA THR 74 HA THR 74 5.780 36.739 -26.167 585 HB THR 74 HB THR 74 3.170 36.485 -26.620 586 HG1 THR 74 HG1 THR 74 4.584 37.821 -27.679 587 1HG2 THR 74 1HG2 THR 74 2.649 37.109 -24.188 588 2HG2 THR 74 2HG2 THR 74 3.438 38.662 -24.507 589 3HG2 THR 74 3HG2 THR 74 1.979 38.196 -25.419 590 H LYS 75 H LYS 75 4.606 35.265 -23.212 591 HA LYS 75 HA LYS 75 5.277 37.320 -21.401 592 1HB LYS 75 1HB LYS 75 4.122 34.902 -21.121 593 2HB LYS 75 2HB LYS 75 5.770 34.392 -20.769 594 1HG LYS 75 1HG LYS 75 5.262 34.877 -18.689 595 2HG LYS 75 2HG LYS 75 5.569 36.567 -19.114 596 1HD LYS 75 1HD LYS 75 2.898 35.089 -19.218 597 2HD LYS 75 2HD LYS 75 3.385 36.124 -17.883 598 1HE LYS 75 1HE LYS 75 3.146 37.234 -20.711 599 2HE LYS 75 2HE LYS 75 1.736 37.021 -19.674 600 1HZ LYS 75 1HZ LYS 75 4.069 38.604 -18.879 601 2HZ LYS 75 2HZ LYS 75 2.642 39.202 -19.462 602 3HZ LYS 75 3HZ LYS 75 2.654 38.378 -18.043 603 H LEU 76 H LEU 76 7.119 34.626 -22.754 604 HA LEU 76 HA LEU 76 9.524 34.896 -21.416 605 1HB LEU 76 1HB LEU 76 10.418 34.026 -23.884 606 2HB LEU 76 2HB LEU 76 10.145 33.133 -22.417 607 HG LEU 76 HG LEU 76 7.951 33.460 -24.460 608 1HD1 LEU 76 1HD1 LEU 76 10.123 31.383 -24.327 609 2HD1 LEU 76 2HD1 LEU 76 8.655 31.309 -25.336 610 3HD1 LEU 76 3HD1 LEU 76 9.852 32.590 -25.612 611 1HD2 LEU 76 1HD2 LEU 76 7.414 32.571 -22.092 612 2HD2 LEU 76 2HD2 LEU 76 7.205 31.339 -23.366 613 3HD2 LEU 76 3HD2 LEU 76 8.643 31.326 -22.345 614 HA PRO 77 HA PRO 77 11.668 37.794 -24.422 615 1HB PRO 77 1HB PRO 77 10.656 38.573 -26.810 616 2HB PRO 77 2HB PRO 77 11.297 36.920 -26.567 617 1HG PRO 77 1HG PRO 77 8.396 37.807 -26.374 618 2HG PRO 77 2HG PRO 77 9.062 36.472 -27.364 619 1HD PRO 77 1HD PRO 77 8.016 36.041 -24.855 620 2HD PRO 77 2HD PRO 77 9.425 35.130 -25.466 621 H THR 78 H THR 78 11.818 40.088 -24.561 622 HA THR 78 HA THR 78 9.425 41.625 -23.653 623 HB THR 78 HB THR 78 12.399 42.124 -23.179 624 HG1 THR 78 HG1 THR 78 10.403 40.901 -21.589 625 1HG2 THR 78 1HG2 THR 78 9.887 43.370 -21.997 626 2HG2 THR 78 2HG2 THR 78 11.556 43.678 -21.455 627 3HG2 THR 78 3HG2 THR 78 11.051 44.167 -23.086 628 H ILE 79 H ILE 79 12.177 41.384 -25.824 629 HA ILE 79 HA ILE 79 12.322 43.837 -26.845 630 HB ILE 79 HB ILE 79 13.610 41.417 -27.325 631 1HG1 ILE 79 1HG1 ILE 79 14.691 43.476 -27.470 632 2HG1 ILE 79 2HG1 ILE 79 15.041 42.470 -28.882 633 1HG2 ILE 79 1HG2 ILE 79 12.234 41.759 -29.975 634 2HG2 ILE 79 2HG2 ILE 79 13.625 40.748 -29.589 635 3HG2 ILE 79 3HG2 ILE 79 12.079 40.406 -28.827 636 1HD1 ILE 79 1HD1 ILE 79 13.234 43.725 -30.140 637 2HD1 ILE 79 2HD1 ILE 79 13.085 44.811 -28.740 638 3HD1 ILE 79 3HD1 ILE 79 14.611 44.736 -29.640 639 H SER 80 H SER 80 10.421 41.334 -28.341 640 HA SER 80 HA SER 80 9.228 42.868 -30.380 641 1HB SER 80 1HB SER 80 9.052 40.394 -30.226 642 2HB SER 80 2HB SER 80 7.923 40.561 -28.861 643 HG SER 80 HG SER 80 6.865 40.331 -30.899 644 H GLN 81 H GLN 81 8.024 42.284 -27.052 645 HA GLN 81 HA GLN 81 5.721 43.856 -27.249 646 1HB GLN 81 1HB GLN 81 6.205 42.250 -25.431 647 2HB GLN 81 2HB GLN 81 7.411 43.366 -24.768 648 1HG GLN 81 1HG GLN 81 5.673 45.073 -24.398 649 2HG GLN 81 2HG GLN 81 4.456 44.026 -25.141 650 1HE2 GLN 81 2HE2 GLN 81 4.225 41.782 -24.071 651 2HE2 GLN 81 1HE2 GLN 81 4.306 41.759 -22.320 652 H ARG 82 H ARG 82 9.058 44.755 -26.548 653 HA ARG 82 HA ARG 82 8.485 47.454 -25.782 654 1HB ARG 82 1HB ARG 82 10.596 46.269 -25.257 655 2HB ARG 82 2HB ARG 82 11.095 46.443 -26.957 656 1HG ARG 82 1HG ARG 82 11.004 48.894 -26.741 657 2HG ARG 82 2HG ARG 82 10.452 48.728 -25.057 658 1HD ARG 82 1HD ARG 82 12.537 47.494 -24.509 659 2HD ARG 82 2HD ARG 82 13.086 47.689 -26.192 660 HE ARG 82 HE ARG 82 12.474 50.252 -25.173 661 1HH1 ARG 82 1HH1 ARG 82 14.823 47.660 -24.640 662 2HH1 ARG 82 2HH1 ARG 82 16.084 48.717 -24.070 663 1HH2 ARG 82 1HH2 ARG 82 14.133 51.663 -24.416 664 2HH2 ARG 82 2HH2 ARG 82 15.682 51.025 -23.945 665 H ILE 83 H ILE 83 9.203 46.007 -29.039 666 HA ILE 83 HA ILE 83 9.420 48.513 -30.348 667 HB ILE 83 HB ILE 83 8.212 45.997 -31.638 668 1HG1 ILE 83 1HG1 ILE 83 9.950 45.063 -30.726 669 2HG1 ILE 83 2HG1 ILE 83 10.388 45.418 -32.409 670 1HG2 ILE 83 1HG2 ILE 83 8.098 48.060 -33.019 671 2HG2 ILE 83 2HG2 ILE 83 9.856 48.243 -32.871 672 3HG2 ILE 83 3HG2 ILE 83 9.164 46.843 -33.710 673 1HD1 ILE 83 1HD1 ILE 83 11.743 47.358 -31.559 674 2HD1 ILE 83 2HD1 ILE 83 11.415 46.787 -29.895 675 3HD1 ILE 83 3HD1 ILE 83 12.307 45.757 -31.027 676 H VAL 84 H VAL 84 6.688 46.284 -29.939 677 HA VAL 84 HA VAL 84 4.751 47.981 -31.172 678 HB VAL 84 HB VAL 84 4.281 45.871 -29.017 679 1HG1 VAL 84 1HG1 VAL 84 2.367 47.086 -31.056 680 2HG1 VAL 84 2HG1 VAL 84 1.999 45.707 -29.999 681 3HG1 VAL 84 3HG1 VAL 84 2.298 47.298 -29.292 682 1HG2 VAL 84 1HG2 VAL 84 4.206 45.600 -32.059 683 2HG2 VAL 84 2HG2 VAL 84 5.440 44.895 -30.998 684 3HG2 VAL 84 3HG2 VAL 84 3.770 44.335 -30.893 685 H SER 85 H SER 85 5.664 47.733 -27.790 686 HA SER 85 HA SER 85 3.860 49.839 -26.993 687 1HB SER 85 1HB SER 85 6.179 48.632 -25.456 688 2HB SER 85 2HB SER 85 4.829 49.576 -24.792 689 HG SER 85 HG SER 85 4.752 47.017 -26.004 690 H ALA 86 H ALA 86 5.427 50.754 -29.096 691 HA ALA 86 HA ALA 86 6.498 53.173 -27.994 692 1HB ALA 86 1HB ALA 86 8.458 51.240 -29.327 693 2HB ALA 86 2HB ALA 86 8.792 52.940 -28.942 694 3HB ALA 86 3HB ALA 86 8.501 51.777 -27.637 695 H GLN 87 H GLN 87 6.877 51.132 -30.918 696 HA GLN 87 HA GLN 87 6.437 53.384 -32.656 697 1HB GLN 87 1HB GLN 87 7.977 51.209 -32.934 698 2HB GLN 87 2HB GLN 87 6.546 50.548 -33.710 699 1HG GLN 87 1HG GLN 87 7.996 51.562 -35.371 700 2HG GLN 87 2HG GLN 87 6.532 52.553 -35.236 701 1HE2 GLN 87 2HE2 GLN 87 7.126 54.693 -35.465 702 2HE2 GLN 87 1HE2 GLN 87 8.408 55.462 -34.545 703 H SER 88 H SER 88 4.337 53.517 -31.300 704 HA SER 88 HA SER 88 2.056 53.396 -32.925 705 1HB SER 88 1HB SER 88 2.328 51.068 -30.974 706 2HB SER 88 2HB SER 88 0.746 51.757 -31.364 707 HG SER 88 HG SER 88 2.548 50.817 -33.323 708 H LEU 89 H LEU 89 3.361 53.153 -29.615 709 HA LEU 89 HA LEU 89 1.535 55.317 -28.655 710 1HB LEU 89 1HB LEU 89 3.043 53.188 -27.086 711 2HB LEU 89 2HB LEU 89 1.884 54.352 -26.431 712 HG LEU 89 HG LEU 89 1.208 52.101 -28.390 713 1HD1 LEU 89 1HD1 LEU 89 1.909 51.263 -26.185 714 2HD1 LEU 89 2HD1 LEU 89 0.729 52.331 -25.394 715 3HD1 LEU 89 3HD1 LEU 89 0.175 51.013 -26.450 716 1HD2 LEU 89 1HD2 LEU 89 -0.614 53.983 -26.814 717 2HD2 LEU 89 2HD2 LEU 89 -0.401 53.979 -28.581 718 3HD2 LEU 89 3HD2 LEU 89 -1.144 52.591 -27.776 719 H GLY 90 H GLY 90 3.613 56.043 -30.242 720 1HA GLY 90 1HA GLY 90 5.087 57.847 -28.578 721 2HA GLY 90 2HA GLY 90 6.122 56.514 -29.142 722 H GLU 91 H GLU 91 7.153 58.526 -30.199 723 HA GLU 91 HA GLU 91 5.873 59.856 -32.333 724 1HB GLU 91 1HB GLU 91 8.837 59.376 -31.807 725 2HB GLU 91 2HB GLU 91 8.175 60.550 -32.956 726 1HG GLU 91 1HG GLU 91 7.025 61.739 -31.119 727 2HG GLU 91 2HG GLU 91 7.670 60.585 -29.940 728 H ASP 92 H ASP 92 6.041 59.489 -34.689 729 HA ASP 92 HA ASP 92 7.438 57.156 -35.679 730 1HB ASP 92 1HB ASP 92 5.284 56.193 -34.880 731 2HB ASP 92 2HB ASP 92 4.395 57.389 -35.836 732 H ASP 93 H ASP 93 7.795 57.427 -38.015 733 HA ASP 93 HA ASP 93 6.397 59.374 -39.555 734 1HB ASP 93 1HB ASP 93 7.796 60.954 -38.267 735 2HB ASP 93 2HB ASP 93 9.245 60.012 -38.644 736 H VAL 94 H VAL 94 6.916 58.897 -41.833 737 HA VAL 94 HA VAL 94 9.244 57.197 -42.418 738 HB VAL 94 HB VAL 94 6.471 56.465 -43.420 739 1HG1 VAL 94 1HG1 VAL 94 8.457 55.588 -44.721 740 2HG1 VAL 94 2HG1 VAL 94 9.085 54.877 -43.227 741 3HG1 VAL 94 3HG1 VAL 94 7.565 54.290 -43.926 742 1HG2 VAL 94 1HG2 VAL 94 7.890 55.230 -41.025 743 2HG2 VAL 94 2HG2 VAL 94 6.330 56.091 -41.007 744 3HG2 VAL 94 3HG2 VAL 94 6.474 54.547 -41.841 745 H GLU 95 H GLU 95 8.917 59.935 -42.736 746 HA GLU 95 HA GLU 95 9.316 61.531 -44.201 747 1HB GLU 95 1HB GLU 95 10.533 59.725 -45.508 748 2HB GLU 95 2HB GLU 95 9.092 59.600 -46.537 749 1HG GLU 95 1HG GLU 95 9.314 61.969 -47.161 750 2HG GLU 95 2HG GLU 95 10.702 62.146 -46.075 751 1H GLY 1 1H GLY 1 -14.171 16.960 -17.955 752 2H GLY 1 2H GLY 1 -15.769 17.147 -17.543 753 3H GLY 1 3H GLY 1 -15.205 17.674 -19.005 754 1HA GLY 1 1HA GLY 1 -15.515 19.532 -17.582 755 2HA GLY 1 2HA GLY 1 -14.439 18.761 -16.393 756 HA PRO 2 HA PRO 2 -11.945 21.281 -19.557 757 1HB PRO 2 1HB PRO 2 -11.373 23.548 -18.199 758 2HB PRO 2 2HB PRO 2 -12.952 23.298 -18.985 759 1HG PRO 2 1HG PRO 2 -12.245 22.806 -16.086 760 2HG PRO 2 2HG PRO 2 -13.602 23.784 -16.710 761 1HD PRO 2 1HD PRO 2 -13.906 21.170 -15.962 762 2HD PRO 2 2HD PRO 2 -14.798 21.845 -17.360 763 H ARG 3 H ARG 3 -10.894 19.179 -18.758 764 HA ARG 3 HA ARG 3 -8.367 19.824 -17.311 765 1HB ARG 3 1HB ARG 3 -10.267 17.504 -16.863 766 2HB ARG 3 2HB ARG 3 -8.527 17.230 -16.810 767 1HG ARG 3 1HG ARG 3 -8.974 17.640 -14.594 768 2HG ARG 3 2HG ARG 3 -8.342 19.179 -15.162 769 1HD ARG 3 1HD ARG 3 -10.154 19.683 -13.766 770 2HD ARG 3 2HD ARG 3 -10.766 19.967 -15.397 771 HE ARG 3 HE ARG 3 -11.343 17.285 -14.691 772 1HH1 ARG 3 1HH1 ARG 3 -12.277 20.559 -13.655 773 2HH1 ARG 3 2HH1 ARG 3 -13.788 20.052 -12.959 774 1HH2 ARG 3 1HH2 ARG 3 -13.316 16.615 -13.724 775 2HH2 ARG 3 2HH2 ARG 3 -14.387 17.785 -13.006 776 H LEU 4 H LEU 4 -7.026 19.999 -18.913 777 HA LEU 4 HA LEU 4 -7.177 18.926 -21.492 778 1HB LEU 4 1HB LEU 4 -5.955 20.918 -20.627 779 2HB LEU 4 2HB LEU 4 -4.775 19.868 -19.884 780 HG LEU 4 HG LEU 4 -3.756 20.704 -21.798 781 1HD1 LEU 4 1HD1 LEU 4 -3.582 18.187 -21.811 782 2HD1 LEU 4 2HD1 LEU 4 -4.872 18.163 -23.022 783 3HD1 LEU 4 3HD1 LEU 4 -3.328 18.985 -23.352 784 1HD2 LEU 4 1HD2 LEU 4 -6.359 20.314 -23.279 785 2HD2 LEU 4 2HD2 LEU 4 -5.557 21.837 -22.816 786 3HD2 LEU 4 3HD2 LEU 4 -4.831 20.792 -24.045 787 H SER 5 H SER 5 -7.309 16.693 -21.752 788 HA SER 5 HA SER 5 -4.908 15.167 -21.406 789 1HB SER 5 1HB SER 5 -5.772 13.419 -19.906 790 2HB SER 5 2HB SER 5 -5.537 14.968 -19.101 791 HG SER 5 HG SER 5 -7.568 14.050 -18.575 792 H ARG 6 H ARG 6 -6.701 15.975 -23.506 793 HA ARG 6 HA ARG 6 -8.218 13.681 -24.378 794 1HB ARG 6 1HB ARG 6 -8.555 16.144 -25.016 795 2HB ARG 6 2HB ARG 6 -7.103 16.008 -25.995 796 1HG ARG 6 1HG ARG 6 -8.845 15.708 -27.514 797 2HG ARG 6 2HG ARG 6 -8.297 14.050 -27.218 798 1HD ARG 6 1HD ARG 6 -10.179 13.713 -25.638 799 2HD ARG 6 2HD ARG 6 -10.618 15.431 -25.796 800 HE ARG 6 HE ARG 6 -10.586 14.097 -28.351 801 1HH1 ARG 6 1HH1 ARG 6 -12.537 14.519 -25.426 802 2HH1 ARG 6 2HH1 ARG 6 -14.063 14.314 -26.239 803 1HH2 ARG 6 1HH2 ARG 6 -12.596 13.809 -29.432 804 2HH2 ARG 6 2HH2 ARG 6 -14.091 13.879 -28.546 805 H LEU 7 H LEU 7 -5.218 15.247 -25.557 806 HA LEU 7 HA LEU 7 -4.294 12.960 -27.098 807 1HB LEU 7 1HB LEU 7 -2.372 14.196 -27.533 808 2HB LEU 7 2HB LEU 7 -3.799 15.182 -27.788 809 HG LEU 7 HG LEU 7 -2.107 16.529 -27.030 810 1HD1 LEU 7 1HD1 LEU 7 -4.211 17.121 -26.247 811 2HD1 LEU 7 2HD1 LEU 7 -3.873 16.465 -24.641 812 3HD1 LEU 7 3HD1 LEU 7 -2.871 17.779 -25.288 813 1HD2 LEU 7 1HD2 LEU 7 -0.539 15.030 -25.880 814 2HD2 LEU 7 2HD2 LEU 7 -0.936 16.392 -24.806 815 3HD2 LEU 7 3HD2 LEU 7 -1.675 14.857 -24.580 816 H LEU 8 H LEU 8 -3.681 13.998 -23.767 817 HA LEU 8 HA LEU 8 -1.374 12.417 -23.487 818 1HB LEU 8 1HB LEU 8 -3.250 13.399 -21.416 819 2HB LEU 8 2HB LEU 8 -1.707 12.587 -21.078 820 HG LEU 8 HG LEU 8 -1.206 14.817 -20.777 821 1HD1 LEU 8 1HD1 LEU 8 -0.068 14.184 -23.486 822 2HD1 LEU 8 2HD1 LEU 8 0.370 15.545 -22.470 823 3HD1 LEU 8 3HD1 LEU 8 0.594 13.892 -21.889 824 1HD2 LEU 8 1HD2 LEU 8 -3.019 15.508 -23.007 825 2HD2 LEU 8 2HD2 LEU 8 -2.901 16.097 -21.383 826 3HD2 LEU 8 3HD2 LEU 8 -1.710 16.602 -22.589 827 H SER 9 H SER 9 -4.576 11.234 -23.790 828 HA SER 9 HA SER 9 -4.282 8.811 -22.297 829 1HB SER 9 1HB SER 9 -5.901 9.393 -24.815 830 2HB SER 9 2HB SER 9 -6.169 8.058 -23.669 831 HG SER 9 HG SER 9 -7.494 9.988 -23.339 832 H TYR 10 H TYR 10 -2.700 9.963 -25.135 833 HA TYR 10 HA TYR 10 -2.245 7.515 -26.546 834 1HB TYR 10 1HB TYR 10 -0.841 8.868 -27.904 835 2HB TYR 10 2HB TYR 10 -2.268 9.812 -27.515 836 HD1 TYR 10 HD1 TYR 10 -0.501 10.276 -24.516 837 HD2 TYR 10 HD2 TYR 10 -0.157 11.231 -28.722 838 HE1 TYR 10 HE1 TYR 10 0.936 12.090 -23.950 839 HE2 TYR 10 HE2 TYR 10 1.309 13.094 -28.129 840 HH TYR 10 HH TYR 10 2.406 14.245 -26.427 841 H ALA 11 H ALA 11 -1.053 8.341 -23.501 842 HA ALA 11 HA ALA 11 1.313 6.628 -23.770 843 1HB ALA 11 1HB ALA 11 2.086 8.920 -24.446 844 2HB ALA 11 2HB ALA 11 1.422 9.578 -22.944 845 3HB ALA 11 3HB ALA 11 2.786 8.444 -22.888
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