NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10771 | 1q8l | 6022 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 2.126 -26.104 -11.256 2 2H GLY 1 2H GLY 1 2.249 -24.417 -11.413 3 3H GLY 1 3H GLY 1 1.015 -25.258 -12.221 4 1HA GLY 1 1HA GLY 1 0.004 -25.872 -10.131 5 2HA GLY 1 2HA GLY 1 1.294 -25.019 -9.277 6 H SER 2 H SER 2 1.140 -22.858 -9.023 7 HA SER 2 HA SER 2 -1.385 -21.546 -9.565 8 1HB SER 2 1HB SER 2 1.262 -20.443 -8.478 9 2HB SER 2 2HB SER 2 -0.277 -19.563 -8.462 10 HG SER 2 HG SER 2 0.247 -22.106 -7.321 11 H MET 3 H MET 3 -1.890 -20.979 -11.548 12 HA MET 3 HA MET 3 -0.104 -20.466 -13.701 13 1HB MET 3 1HB MET 3 -2.131 -19.560 -14.863 14 2HB MET 3 2HB MET 3 -2.446 -21.094 -14.083 15 1HG MET 3 1HG MET 3 -3.460 -19.914 -12.155 16 2HG MET 3 2HG MET 3 -3.143 -18.378 -12.909 17 1HE MET 3 1HE MET 3 -5.825 -17.776 -15.360 18 2HE MET 3 2HE MET 3 -4.087 -17.953 -15.503 19 3HE MET 3 3HE MET 3 -4.796 -17.075 -14.125 20 H ALA 4 H ALA 4 -1.494 -18.395 -11.311 21 HA ALA 4 HA ALA 4 0.422 -16.265 -11.765 22 1HB ALA 4 1HB ALA 4 -1.299 -14.518 -12.341 23 2HB ALA 4 2HB ALA 4 -2.540 -15.761 -12.416 24 3HB ALA 4 3HB ALA 4 -1.232 -15.756 -13.580 25 H GLN 5 H GLN 5 -2.799 -15.574 -10.587 26 HA GLN 5 HA GLN 5 -1.743 -15.560 -7.802 27 1HB GLN 5 1HB GLN 5 -3.902 -13.948 -9.201 28 2HB GLN 5 2HB GLN 5 -3.834 -14.029 -7.454 29 1HG GLN 5 1HG GLN 5 -2.632 -12.030 -8.244 30 2HG GLN 5 2HG GLN 5 -1.505 -13.138 -7.488 31 1HE2 GLN 5 1HE2 GLN 5 0.299 -13.705 -8.704 32 2HE2 GLN 5 2HE2 GLN 5 0.467 -13.430 -10.370 33 H ALA 6 H ALA 6 -2.044 -17.799 -7.698 34 HA ALA 6 HA ALA 6 -4.857 -18.643 -7.083 35 1HB ALA 6 1HB ALA 6 -4.156 -20.936 -7.762 36 2HB ALA 6 2HB ALA 6 -2.547 -20.340 -8.137 37 3HB ALA 6 3HB ALA 6 -3.923 -19.817 -9.095 38 H GLY 7 H GLY 7 -1.456 -19.437 -6.495 39 1HA GLY 7 1HA GLY 7 -1.931 -20.536 -3.845 40 2HA GLY 7 2HA GLY 7 -0.352 -20.194 -4.564 41 H GLU 8 H GLU 8 -1.357 -17.455 -5.193 42 HA GLU 8 HA GLU 8 -1.637 -16.083 -2.615 43 1HB GLU 8 1HB GLU 8 0.451 -14.764 -2.955 44 2HB GLU 8 2HB GLU 8 0.756 -16.482 -2.815 45 1HG GLU 8 1HG GLU 8 2.156 -15.589 -4.600 46 2HG GLU 8 2HG GLU 8 0.992 -16.717 -5.256 47 H VAL 9 H VAL 9 -1.493 -13.691 -3.060 48 HA VAL 9 HA VAL 9 -2.752 -12.886 -5.631 49 HB VAL 9 HB VAL 9 -4.410 -11.471 -4.191 50 1HG1 VAL 9 1HG1 VAL 9 -4.619 -14.523 -4.109 51 2HG1 VAL 9 2HG1 VAL 9 -5.093 -13.509 -5.462 52 3HG1 VAL 9 3HG1 VAL 9 -5.960 -13.402 -3.941 53 1HG2 VAL 9 1HG2 VAL 9 -4.869 -12.338 -1.915 54 2HG2 VAL 9 2HG2 VAL 9 -3.190 -11.832 -1.991 55 3HG2 VAL 9 3HG2 VAL 9 -3.609 -13.534 -2.074 56 H VAL 10 H VAL 10 -2.539 -10.665 -6.119 57 HA VAL 10 HA VAL 10 -0.614 -9.135 -4.414 58 HB VAL 10 HB VAL 10 0.696 -8.491 -6.358 59 1HG1 VAL 10 1HG1 VAL 10 0.111 -11.457 -6.591 60 2HG1 VAL 10 2HG1 VAL 10 1.215 -10.747 -5.428 61 3HG1 VAL 10 3HG1 VAL 10 1.567 -10.657 -7.145 62 1HG2 VAL 10 1HG2 VAL 10 -1.067 -8.258 -8.091 63 2HG2 VAL 10 2HG2 VAL 10 -1.305 -10.000 -8.101 64 3HG2 VAL 10 3HG2 VAL 10 0.206 -9.304 -8.660 65 H LEU 11 H LEU 11 -1.288 -7.159 -3.934 66 HA LEU 11 HA LEU 11 -3.207 -5.753 -5.732 67 1HB LEU 11 1HB LEU 11 -3.232 -5.802 -2.696 68 2HB LEU 11 2HB LEU 11 -4.340 -4.897 -3.708 69 HG LEU 11 HG LEU 11 -4.081 -7.943 -3.695 70 1HD1 LEU 11 1HD1 LEU 11 -5.028 -7.030 -1.610 71 2HD1 LEU 11 2HD1 LEU 11 -6.279 -7.830 -2.553 72 3HD1 LEU 11 3HD1 LEU 11 -6.174 -6.076 -2.539 73 1HD2 LEU 11 1HD2 LEU 11 -4.875 -7.008 -5.897 74 2HD2 LEU 11 2HD2 LEU 11 -6.117 -6.109 -5.050 75 3HD2 LEU 11 3HD2 LEU 11 -6.149 -7.868 -5.066 76 H LYS 12 H LYS 12 -1.750 -4.406 -6.641 77 HA LYS 12 HA LYS 12 0.061 -2.745 -4.986 78 1HB LYS 12 1HB LYS 12 0.773 -3.637 -7.222 79 2HB LYS 12 2HB LYS 12 -0.495 -2.667 -7.958 80 1HG LYS 12 1HG LYS 12 0.486 -0.612 -7.267 81 2HG LYS 12 2HG LYS 12 1.542 -1.386 -6.115 82 1HD LYS 12 1HD LYS 12 2.936 -0.837 -7.913 83 2HD LYS 12 2HD LYS 12 2.630 -2.551 -8.095 84 1HE LYS 12 1HE LYS 12 1.093 -0.388 -9.618 85 2HE LYS 12 2HE LYS 12 2.445 -1.286 -10.288 86 1HZ LYS 12 1HZ LYS 12 0.831 -2.613 -11.011 87 2HZ LYS 12 2HZ LYS 12 -0.281 -2.121 -9.827 88 3HZ LYS 12 3HZ LYS 12 0.904 -3.276 -9.449 89 H MET 13 H MET 13 -1.439 -1.702 -3.762 90 HA MET 13 HA MET 13 -3.452 0.056 -5.031 91 1HB MET 13 1HB MET 13 -2.682 -0.539 -2.194 92 2HB MET 13 2HB MET 13 -4.031 0.495 -2.615 93 1HG MET 13 1HG MET 13 -5.063 -1.419 -3.854 94 2HG MET 13 2HG MET 13 -3.726 -2.437 -3.417 95 1HE MET 13 1HE MET 13 -4.442 -4.422 -1.292 96 2HE MET 13 2HE MET 13 -4.035 -3.359 0.066 97 3HE MET 13 3HE MET 13 -3.120 -3.256 -1.415 98 H LYS 14 H LYS 14 -3.253 2.187 -5.071 99 HA LYS 14 HA LYS 14 -0.603 3.363 -4.333 100 1HB LYS 14 1HB LYS 14 -1.088 3.305 -6.703 101 2HB LYS 14 2HB LYS 14 -2.528 4.255 -6.413 102 1HG LYS 14 1HG LYS 14 -1.152 6.135 -5.524 103 2HG LYS 14 2HG LYS 14 0.302 5.186 -5.723 104 1HD LYS 14 1HD LYS 14 -1.548 6.068 -7.983 105 2HD LYS 14 2HD LYS 14 -0.052 6.868 -7.551 106 1HE LYS 14 1HE LYS 14 -0.295 4.001 -8.574 107 2HE LYS 14 2HE LYS 14 0.339 5.373 -9.459 108 1HZ LYS 14 1HZ LYS 14 2.129 4.104 -8.574 109 2HZ LYS 14 2HZ LYS 14 1.493 4.195 -7.004 110 3HZ LYS 14 3HZ LYS 14 2.071 5.599 -7.767 111 H VAL 15 H VAL 15 -0.921 4.082 -2.314 112 HA VAL 15 HA VAL 15 -3.165 5.505 -1.353 113 HB VAL 15 HB VAL 15 -0.401 4.786 -0.438 114 1HG1 VAL 15 1HG1 VAL 15 -0.500 6.157 1.589 115 2HG1 VAL 15 2HG1 VAL 15 -1.944 6.955 0.998 116 3HG1 VAL 15 3HG1 VAL 15 -0.396 7.191 0.177 117 1HG2 VAL 15 1HG2 VAL 15 -3.081 4.885 0.956 118 2HG2 VAL 15 2HG2 VAL 15 -1.628 4.095 1.553 119 3HG2 VAL 15 3HG2 VAL 15 -2.429 3.488 0.107 120 H GLU 16 H GLU 16 -3.024 7.617 -0.366 121 HA GLU 16 HA GLU 16 -1.940 9.735 -2.176 122 1HB GLU 16 1HB GLU 16 -4.481 9.611 -2.013 123 2HB GLU 16 2HB GLU 16 -4.345 9.741 -0.267 124 1HG GLU 16 1HG GLU 16 -3.116 11.951 -0.621 125 2HG GLU 16 2HG GLU 16 -3.501 11.813 -2.330 126 H GLY 17 H GLY 17 -0.434 11.006 -1.082 127 1HA GLY 17 1HA GLY 17 0.474 10.196 1.496 128 2HA GLY 17 2HA GLY 17 1.072 11.564 0.588 129 H MET 18 H MET 18 -2.274 11.544 1.142 130 HA MET 18 HA MET 18 -3.739 12.796 2.390 131 1HB MET 18 1HB MET 18 -2.880 11.566 4.285 132 2HB MET 18 2HB MET 18 -1.517 12.653 4.467 133 1HG MET 18 1HG MET 18 -2.736 14.222 5.521 134 2HG MET 18 2HG MET 18 -4.133 14.013 4.500 135 1HE MET 18 1HE MET 18 -3.027 11.497 8.104 136 2HE MET 18 2HE MET 18 -2.048 11.888 6.712 137 3HE MET 18 3HE MET 18 -3.211 10.565 6.605 138 H THR 19 H THR 19 -0.789 14.267 3.626 139 HA THR 19 HA THR 19 -1.274 16.776 2.096 140 HB THR 19 HB THR 19 -0.691 18.037 4.279 141 HG1 THR 19 HG1 THR 19 -0.917 15.354 5.180 142 1HG2 THR 19 1HG2 THR 19 -2.879 17.630 5.394 143 2HG2 THR 19 2HG2 THR 19 -3.064 16.104 4.549 144 3HG2 THR 19 3HG2 THR 19 -3.138 17.608 3.656 145 H CYS 20 H CYS 20 0.898 14.984 4.203 146 HA CYS 20 HA CYS 20 3.130 15.022 2.427 147 1HB CYS 20 1HB CYS 20 3.194 17.439 3.130 148 2HB CYS 20 2HB CYS 20 3.236 16.947 4.799 149 H HIS 21 H HIS 21 1.970 13.003 3.562 150 HA HIS 21 HA HIS 21 2.188 11.129 4.924 151 1HB HIS 21 1HB HIS 21 5.094 12.125 4.987 152 2HB HIS 21 2HB HIS 21 4.581 10.536 5.520 153 HD1 HIS 21 HD1 HIS 21 4.650 8.849 3.707 154 HD2 HIS 21 HD2 HIS 21 4.289 12.584 2.094 155 HE1 HIS 21 HE1 HIS 21 4.744 8.561 1.258 156 H SER 22 H SER 22 0.842 12.522 6.344 157 HA SER 22 HA SER 22 1.743 13.955 8.586 158 1HB SER 22 1HB SER 22 -0.747 12.195 8.404 159 2HB SER 22 2HB SER 22 -0.512 13.543 9.527 160 HG SER 22 HG SER 22 -0.556 13.615 6.698 161 H CYS 23 H CYS 23 1.678 10.566 8.046 162 HA CYS 23 HA CYS 23 3.074 10.041 10.609 163 1HB CYS 23 1HB CYS 23 0.543 8.608 9.715 164 2HB CYS 23 2HB CYS 23 1.552 8.095 11.041 165 H THR 24 H THR 24 1.585 7.692 8.512 166 HA THR 24 HA THR 24 2.285 5.968 7.329 167 HB THR 24 HB THR 24 3.749 6.421 5.555 168 HG1 THR 24 HG1 THR 24 5.216 7.669 7.069 169 1HG2 THR 24 1HG2 THR 24 2.812 8.573 4.621 170 2HG2 THR 24 2HG2 THR 24 2.258 9.020 6.223 171 3HG2 THR 24 3HG2 THR 24 1.546 7.645 5.394 172 H SER 25 H SER 25 4.450 7.020 9.660 173 HA SER 25 HA SER 25 6.614 5.133 9.109 174 1HB SER 25 1HB SER 25 5.875 6.686 11.670 175 2HB SER 25 2HB SER 25 7.424 5.876 11.374 176 HG SER 25 HG SER 25 6.251 7.934 9.815 177 H THR 26 H THR 26 3.737 5.523 10.982 178 HA THR 26 HA THR 26 3.789 3.044 12.419 179 HB THR 26 HB THR 26 1.316 3.622 12.859 180 HG1 THR 26 HG1 THR 26 1.023 4.452 10.741 181 1HG2 THR 26 1HG2 THR 26 3.114 6.119 12.905 182 2HG2 THR 26 2HG2 THR 26 3.132 4.898 14.168 183 3HG2 THR 26 3HG2 THR 26 1.684 5.851 13.888 184 H ILE 27 H ILE 27 2.615 4.117 9.299 185 HA ILE 27 HA ILE 27 1.048 1.803 8.663 186 HB ILE 27 HB ILE 27 2.378 3.909 6.909 187 1HG1 ILE 27 1HG1 ILE 27 -0.440 3.569 8.046 188 2HG1 ILE 27 2HG1 ILE 27 0.704 4.810 8.495 189 1HG2 ILE 27 1HG2 ILE 27 0.287 1.833 6.168 190 2HG2 ILE 27 2HG2 ILE 27 1.946 1.887 5.587 191 3HG2 ILE 27 3HG2 ILE 27 0.825 3.135 5.121 192 1HD1 ILE 27 1HD1 ILE 27 -0.583 4.523 5.757 193 2HD1 ILE 27 2HD1 ILE 27 0.589 5.757 6.177 194 3HD1 ILE 27 3HD1 ILE 27 -0.975 5.722 6.969 195 H GLU 28 H GLU 28 4.455 2.583 8.370 196 HA GLU 28 HA GLU 28 5.284 0.640 6.553 197 1HB GLU 28 1HB GLU 28 6.581 2.580 7.664 198 2HB GLU 28 2HB GLU 28 6.819 1.521 9.030 199 1HG GLU 28 1HG GLU 28 7.856 -0.170 7.557 200 2HG GLU 28 2HG GLU 28 7.674 0.939 6.197 201 H GLY 29 H GLY 29 5.347 0.552 10.037 202 1HA GLY 29 1HA GLY 29 5.883 -2.271 10.310 203 2HA GLY 29 2HA GLY 29 5.383 -1.193 11.604 204 H LYS 30 H LYS 30 2.950 -0.503 9.867 205 HA LYS 30 HA LYS 30 1.129 -2.396 11.077 206 1HB LYS 30 1HB LYS 30 0.419 -0.087 10.710 207 2HB LYS 30 2HB LYS 30 0.783 -0.208 9.001 208 1HG LYS 30 1HG LYS 30 -1.046 -1.909 8.738 209 2HG LYS 30 2HG LYS 30 -1.436 -1.711 10.439 210 1HD LYS 30 1HD LYS 30 -2.007 0.642 10.093 211 2HD LYS 30 2HD LYS 30 -1.389 0.606 8.452 212 1HE LYS 30 1HE LYS 30 -3.849 0.462 8.441 213 2HE LYS 30 2HE LYS 30 -3.159 -1.030 7.820 214 1HZ LYS 30 1HZ LYS 30 -3.607 -2.138 9.807 215 2HZ LYS 30 2HZ LYS 30 -5.012 -1.242 9.473 216 3HZ LYS 30 3HZ LYS 30 -3.917 -0.699 10.654 217 H ILE 31 H ILE 31 2.037 -1.623 7.822 218 HA ILE 31 HA ILE 31 0.676 -3.734 6.483 219 HB ILE 31 HB ILE 31 3.051 -2.014 5.638 220 1HG1 ILE 31 1HG1 ILE 31 0.054 -1.811 5.026 221 2HG1 ILE 31 2HG1 ILE 31 0.874 -0.806 6.192 222 1HG2 ILE 31 1HG2 ILE 31 1.180 -3.714 3.932 223 2HG2 ILE 31 2HG2 ILE 31 2.856 -4.110 4.266 224 3HG2 ILE 31 3HG2 ILE 31 2.478 -2.684 3.336 225 1HD1 ILE 31 1HD1 ILE 31 2.334 0.095 4.359 226 2HD1 ILE 31 2HD1 ILE 31 0.631 0.402 4.065 227 3HD1 ILE 31 3HD1 ILE 31 1.449 -0.874 3.193 228 H GLY 32 H GLY 32 3.871 -3.480 7.859 229 1HA GLY 32 1HA GLY 32 4.895 -5.920 6.749 230 2HA GLY 32 2HA GLY 32 5.651 -4.964 8.007 231 H LYS 33 H LYS 33 2.935 -5.143 9.390 232 HA LYS 33 HA LYS 33 3.522 -7.548 10.939 233 1HB LYS 33 1HB LYS 33 3.394 -5.419 12.032 234 2HB LYS 33 2HB LYS 33 1.733 -5.239 11.479 235 1HG LYS 33 1HG LYS 33 0.961 -6.979 12.925 236 2HG LYS 33 2HG LYS 33 2.570 -7.648 13.126 237 1HD LYS 33 1HD LYS 33 1.977 -6.526 15.155 238 2HD LYS 33 2HD LYS 33 3.216 -5.576 14.361 239 1HE LYS 33 1HE LYS 33 0.236 -4.942 14.141 240 2HE LYS 33 2HE LYS 33 1.301 -4.188 15.315 241 1HZ LYS 33 1HZ LYS 33 1.560 -2.684 13.720 242 2HZ LYS 33 2HZ LYS 33 1.062 -3.733 12.482 243 3HZ LYS 33 3HZ LYS 33 2.659 -3.794 13.056 244 H LEU 34 H LEU 34 1.612 -6.920 8.327 245 HA LEU 34 HA LEU 34 -0.855 -8.039 9.141 246 1HB LEU 34 1HB LEU 34 0.406 -7.666 6.415 247 2HB LEU 34 2HB LEU 34 -1.271 -8.087 6.665 248 HG LEU 34 HG LEU 34 0.151 -5.537 7.483 249 1HD1 LEU 34 1HD1 LEU 34 -0.461 -5.636 5.113 250 2HD1 LEU 34 2HD1 LEU 34 -1.475 -4.458 5.926 251 3HD1 LEU 34 3HD1 LEU 34 -2.118 -6.042 5.527 252 1HD2 LEU 34 1HD2 LEU 34 -1.450 -6.044 9.280 253 2HD2 LEU 34 2HD2 LEU 34 -2.727 -6.301 8.107 254 3HD2 LEU 34 3HD2 LEU 34 -2.041 -4.699 8.334 255 H GLN 35 H GLN 35 -1.433 -10.103 9.315 256 HA GLN 35 HA GLN 35 0.545 -12.168 8.913 257 1HB GLN 35 1HB GLN 35 -2.369 -12.373 9.756 258 2HB GLN 35 2HB GLN 35 -1.217 -13.694 9.819 259 1HG GLN 35 1HG GLN 35 -1.017 -11.076 11.345 260 2HG GLN 35 2HG GLN 35 -1.406 -12.658 12.020 261 1HE2 GLN 35 1HE2 GLN 35 1.193 -10.605 10.886 262 2HE2 GLN 35 2HE2 GLN 35 2.465 -11.638 11.330 263 H GLY 36 H GLY 36 0.193 -14.065 7.880 264 1HA GLY 36 1HA GLY 36 -0.270 -15.446 6.061 265 2HA GLY 36 2HA GLY 36 -1.730 -14.497 5.792 266 H VAL 37 H VAL 37 1.084 -12.688 6.003 267 HA VAL 37 HA VAL 37 0.999 -12.045 3.144 268 HB VAL 37 HB VAL 37 2.181 -10.635 5.608 269 1HG1 VAL 37 1HG1 VAL 37 3.825 -10.399 3.714 270 2HG1 VAL 37 2HG1 VAL 37 2.996 -8.898 4.090 271 3HG1 VAL 37 3HG1 VAL 37 2.507 -9.847 2.690 272 1HG2 VAL 37 1HG2 VAL 37 0.628 -8.915 4.821 273 2HG2 VAL 37 2HG2 VAL 37 -0.231 -10.435 5.047 274 3HG2 VAL 37 3HG2 VAL 37 0.202 -9.891 3.435 275 H GLN 38 H GLN 38 2.449 -12.503 1.738 276 HA GLN 38 HA GLN 38 4.743 -14.223 2.478 277 1HB GLN 38 1HB GLN 38 3.800 -13.505 -0.349 278 2HB GLN 38 2HB GLN 38 4.828 -14.836 0.134 279 1HG GLN 38 1HG GLN 38 1.853 -14.488 0.587 280 2HG GLN 38 2HG GLN 38 2.685 -15.793 -0.237 281 1HE2 GLN 38 1HE2 GLN 38 4.507 -16.759 1.440 282 2HE2 GLN 38 2HE2 GLN 38 3.837 -17.200 2.939 283 H ARG 39 H ARG 39 4.370 -11.833 -0.063 284 HA ARG 39 HA ARG 39 7.015 -10.638 0.640 285 1HB ARG 39 1HB ARG 39 6.361 -11.379 -1.806 286 2HB ARG 39 2HB ARG 39 5.320 -9.971 -1.798 287 1HG ARG 39 1HG ARG 39 7.383 -9.369 -2.878 288 2HG ARG 39 2HG ARG 39 7.210 -8.467 -1.395 289 1HD ARG 39 1HD ARG 39 9.543 -9.369 -1.700 290 2HD ARG 39 2HD ARG 39 8.805 -10.006 -0.245 291 HE ARG 39 HE ARG 39 8.812 -12.141 -1.227 292 1HH1 ARG 39 1HH1 ARG 39 9.327 -9.697 -3.634 293 2HH1 ARG 39 2HH1 ARG 39 9.696 -10.844 -4.876 294 1HH2 ARG 39 1HH2 ARG 39 9.273 -13.604 -2.785 295 2HH2 ARG 39 2HH2 ARG 39 9.665 -13.087 -4.392 296 H ILE 40 H ILE 40 7.135 -8.239 0.665 297 HA ILE 40 HA ILE 40 4.631 -6.762 0.982 298 HB ILE 40 HB ILE 40 4.832 -7.954 3.131 299 1HG1 ILE 40 1HG1 ILE 40 3.878 -5.665 3.075 300 2HG1 ILE 40 2HG1 ILE 40 4.412 -6.209 4.634 301 1HG2 ILE 40 1HG2 ILE 40 6.661 -7.553 4.727 302 2HG2 ILE 40 2HG2 ILE 40 7.540 -6.633 3.527 303 3HG2 ILE 40 3HG2 ILE 40 7.227 -8.339 3.267 304 1HD1 ILE 40 1HD1 ILE 40 5.887 -4.223 2.817 305 2HD1 ILE 40 2HD1 ILE 40 6.511 -4.813 4.348 306 3HD1 ILE 40 3HD1 ILE 40 5.052 -3.852 4.300 307 H LYS 41 H LYS 41 4.988 -4.901 0.026 308 HA LYS 41 HA LYS 41 7.542 -3.456 0.466 309 1HB LYS 41 1HB LYS 41 6.227 -3.912 -2.262 310 2HB LYS 41 2HB LYS 41 7.654 -2.938 -1.982 311 1HG LYS 41 1HG LYS 41 7.477 -5.935 -1.418 312 2HG LYS 41 2HG LYS 41 8.161 -5.235 -2.865 313 1HD LYS 41 1HD LYS 41 9.932 -4.135 -1.646 314 2HD LYS 41 2HD LYS 41 9.231 -4.535 -0.095 315 1HE LYS 41 1HE LYS 41 10.203 -6.619 -2.089 316 2HE LYS 41 2HE LYS 41 11.135 -6.044 -0.714 317 1HZ LYS 41 1HZ LYS 41 9.476 -6.851 0.773 318 2HZ LYS 41 2HZ LYS 41 9.930 -8.108 -0.273 319 3HZ LYS 41 3HZ LYS 41 8.456 -7.296 -0.508 320 H VAL 42 H VAL 42 7.373 -1.244 0.210 321 HA VAL 42 HA VAL 42 4.685 -0.058 -0.180 322 HB VAL 42 HB VAL 42 6.503 0.440 2.228 323 1HG1 VAL 42 1HG1 VAL 42 5.293 2.501 1.496 324 2HG1 VAL 42 2HG1 VAL 42 4.651 1.932 3.025 325 3HG1 VAL 42 3HG1 VAL 42 3.772 1.625 1.534 326 1HG2 VAL 42 1HG2 VAL 42 5.244 -1.692 2.458 327 2HG2 VAL 42 2HG2 VAL 42 3.740 -0.857 2.105 328 3HG2 VAL 42 3HG2 VAL 42 4.624 -0.500 3.580 329 H SER 43 H SER 43 4.893 1.559 -1.561 330 HA SER 43 HA SER 43 7.547 2.541 -2.380 331 1HB SER 43 1HB SER 43 5.648 2.071 -4.007 332 2HB SER 43 2HB SER 43 4.791 3.450 -3.312 333 HG SER 43 HG SER 43 7.450 3.814 -4.039 334 H LEU 44 H LEU 44 7.557 4.955 -2.872 335 HA LEU 44 HA LEU 44 7.185 6.430 -0.308 336 1HB LEU 44 1HB LEU 44 8.858 7.090 -2.773 337 2HB LEU 44 2HB LEU 44 8.797 8.069 -1.332 338 HG LEU 44 HG LEU 44 10.829 6.794 -1.302 339 1HD1 LEU 44 1HD1 LEU 44 10.629 5.576 0.851 340 2HD1 LEU 44 2HD1 LEU 44 8.883 5.593 0.710 341 3HD1 LEU 44 3HD1 LEU 44 9.765 7.101 0.896 342 1HD2 LEU 44 1HD2 LEU 44 10.961 4.353 -1.295 343 2HD2 LEU 44 2HD2 LEU 44 10.239 4.924 -2.786 344 3HD2 LEU 44 3HD2 LEU 44 9.241 4.209 -1.530 345 H ASP 45 H ASP 45 6.801 8.832 -0.697 346 HA ASP 45 HA ASP 45 5.296 10.511 -1.231 347 1HB ASP 45 1HB ASP 45 5.462 9.237 -4.017 348 2HB ASP 45 2HB ASP 45 4.896 10.857 -3.665 349 H ASN 46 H ASN 46 3.880 8.347 -3.615 350 HA ASN 46 HA ASN 46 1.238 8.664 -2.411 351 1HB ASN 46 1HB ASN 46 2.161 6.995 -4.786 352 2HB ASN 46 2HB ASN 46 0.488 7.282 -4.362 353 1HD2 ASN 46 1HD2 ASN 46 -0.451 9.297 -4.909 354 2HD2 ASN 46 2HD2 ASN 46 0.374 10.507 -5.768 355 H GLN 47 H GLN 47 3.628 6.933 -1.366 356 HA GLN 47 HA GLN 47 3.992 4.803 -0.483 357 1HB GLN 47 1HB GLN 47 2.841 6.343 1.168 358 2HB GLN 47 2HB GLN 47 1.328 5.593 0.721 359 1HG GLN 47 1HG GLN 47 2.274 3.347 1.511 360 2HG GLN 47 2HG GLN 47 3.706 4.217 2.041 361 1HE2 GLN 47 1HE2 GLN 47 0.128 4.501 2.383 362 2HE2 GLN 47 2HE2 GLN 47 0.171 4.911 4.030 363 H GLU 48 H GLU 48 3.248 4.294 -2.872 364 HA GLU 48 HA GLU 48 0.858 2.733 -3.177 365 1HB GLU 48 1HB GLU 48 2.081 3.739 -5.132 366 2HB GLU 48 2HB GLU 48 3.434 2.665 -4.841 367 1HG GLU 48 1HG GLU 48 1.979 0.683 -5.250 368 2HG GLU 48 2HG GLU 48 0.596 1.736 -5.481 369 H ALA 49 H ALA 49 0.668 1.313 -1.649 370 HA ALA 49 HA ALA 49 2.774 -0.472 -0.794 371 1HB ALA 49 1HB ALA 49 0.943 0.289 0.674 372 2HB ALA 49 2HB ALA 49 0.937 -1.461 0.578 373 3HB ALA 49 3HB ALA 49 -0.219 -0.538 -0.354 374 H THR 50 H THR 50 3.372 -2.320 -1.657 375 HA THR 50 HA THR 50 1.569 -3.818 -3.512 376 HB THR 50 HB THR 50 4.609 -3.399 -3.781 377 HG1 THR 50 HG1 THR 50 3.249 -1.561 -4.129 378 1HG2 THR 50 1HG2 THR 50 2.483 -4.446 -5.764 379 2HG2 THR 50 2HG2 THR 50 3.587 -5.513 -4.912 380 3HG2 THR 50 3HG2 THR 50 4.209 -4.350 -6.071 381 H ILE 51 H ILE 51 0.961 -5.075 -1.785 382 HA ILE 51 HA ILE 51 3.048 -6.743 -0.454 383 HB ILE 51 HB ILE 51 0.232 -6.127 0.407 384 1HG1 ILE 51 1HG1 ILE 51 1.616 -5.223 2.435 385 2HG1 ILE 51 2HG1 ILE 51 2.984 -5.270 1.337 386 1HG2 ILE 51 1HG2 ILE 51 0.814 -7.375 2.477 387 2HG2 ILE 51 2HG2 ILE 51 2.358 -7.820 1.774 388 3HG2 ILE 51 3HG2 ILE 51 0.861 -8.441 1.087 389 1HD1 ILE 51 1HD1 ILE 51 0.450 -3.738 0.838 390 2HD1 ILE 51 2HD1 ILE 51 1.868 -3.740 -0.196 391 3HD1 ILE 51 3HD1 ILE 51 1.982 -3.073 1.402 392 H VAL 52 H VAL 52 2.999 -8.917 -0.700 393 HA VAL 52 HA VAL 52 0.898 -10.130 -2.390 394 HB VAL 52 HB VAL 52 3.704 -11.118 -1.733 395 1HG1 VAL 52 1HG1 VAL 52 2.139 -12.932 -2.210 396 2HG1 VAL 52 2HG1 VAL 52 3.289 -12.762 -3.526 397 3HG1 VAL 52 3HG1 VAL 52 1.653 -12.129 -3.695 398 1HG2 VAL 52 1HG2 VAL 52 3.751 -9.087 -3.183 399 2HG2 VAL 52 2HG2 VAL 52 2.613 -9.838 -4.281 400 3HG2 VAL 52 3HG2 VAL 52 4.228 -10.507 -4.103 401 H TYR 53 H TYR 53 -0.221 -11.762 -1.494 402 HA TYR 53 HA TYR 53 0.651 -12.958 1.047 403 1HB TYR 53 1HB TYR 53 -1.393 -12.312 2.283 404 2HB TYR 53 2HB TYR 53 -0.462 -10.911 1.805 405 HD1 TYR 53 HD1 TYR 53 -1.268 -9.588 -0.278 406 HD2 TYR 53 HD2 TYR 53 -3.642 -12.522 1.702 407 HE1 TYR 53 HE1 TYR 53 -3.292 -8.636 -1.280 408 HE2 TYR 53 HE2 TYR 53 -5.658 -11.570 0.700 409 HH TYR 53 HH TYR 53 -5.705 -9.641 -1.860 410 H GLN 54 H GLN 54 -0.617 -14.750 1.712 411 HA GLN 54 HA GLN 54 -1.643 -16.287 -0.531 412 1HB GLN 54 1HB GLN 54 -1.693 -18.139 1.062 413 2HB GLN 54 2HB GLN 54 -0.219 -17.229 1.323 414 1HG GLN 54 1HG GLN 54 -1.687 -15.909 3.115 415 2HG GLN 54 2HG GLN 54 -2.715 -17.322 2.988 416 1HE2 GLN 54 1HE2 GLN 54 0.283 -16.098 4.190 417 2HE2 GLN 54 2HE2 GLN 54 0.794 -17.480 5.017 418 HA PRO 55 HA PRO 55 -5.646 -14.803 -0.083 419 1HB PRO 55 1HB PRO 55 -7.004 -16.441 -1.817 420 2HB PRO 55 2HB PRO 55 -5.740 -15.327 -2.306 421 1HG PRO 55 1HG PRO 55 -5.631 -18.286 -2.102 422 2HG PRO 55 2HG PRO 55 -4.646 -17.204 -3.075 423 1HD PRO 55 1HD PRO 55 -3.955 -18.399 -0.508 424 2HD PRO 55 2HD PRO 55 -2.975 -17.334 -1.527 425 H HIS 56 H HIS 56 -5.243 -16.434 2.274 426 HA HIS 56 HA HIS 56 -8.076 -17.106 2.784 427 1HB HIS 56 1HB HIS 56 -7.586 -19.403 3.519 428 2HB HIS 56 2HB HIS 56 -7.208 -19.160 1.826 429 HD1 HIS 56 HD1 HIS 56 -4.693 -19.367 1.227 430 HD2 HIS 56 HD2 HIS 56 -5.424 -19.668 5.215 431 HE1 HIS 56 HE1 HIS 56 -2.586 -20.168 2.239 432 H LEU 57 H LEU 57 -5.758 -15.349 3.980 433 HA LEU 57 HA LEU 57 -6.310 -16.047 6.800 434 1HB LEU 57 1HB LEU 57 -3.911 -14.794 5.444 435 2HB LEU 57 2HB LEU 57 -4.254 -14.322 7.081 436 HG LEU 57 HG LEU 57 -2.589 -16.098 7.118 437 1HD1 LEU 57 1HD1 LEU 57 -5.256 -17.305 7.977 438 2HD1 LEU 57 2HD1 LEU 57 -4.264 -16.224 8.946 439 3HD1 LEU 57 3HD1 LEU 57 -3.668 -17.813 8.500 440 1HD2 LEU 57 1HD2 LEU 57 -3.042 -18.316 6.149 441 2HD2 LEU 57 2HD2 LEU 57 -3.104 -17.045 4.939 442 3HD2 LEU 57 3HD2 LEU 57 -4.593 -17.716 5.572 443 H ILE 58 H ILE 58 -5.533 -13.280 4.752 444 HA ILE 58 HA ILE 58 -7.902 -11.837 5.505 445 HB ILE 58 HB ILE 58 -6.617 -11.537 7.562 446 1HG1 ILE 58 1HG1 ILE 58 -6.553 -8.917 6.003 447 2HG1 ILE 58 2HG1 ILE 58 -8.032 -9.632 6.618 448 1HG2 ILE 58 1HG2 ILE 58 -4.441 -10.308 5.784 449 2HG2 ILE 58 2HG2 ILE 58 -4.324 -11.847 6.617 450 3HG2 ILE 58 3HG2 ILE 58 -4.390 -10.361 7.536 451 1HD1 ILE 58 1HD1 ILE 58 -5.637 -8.768 8.279 452 2HD1 ILE 58 2HD1 ILE 58 -7.098 -9.520 8.913 453 3HD1 ILE 58 3HD1 ILE 58 -7.181 -7.943 8.146 454 H SER 59 H SER 59 -8.003 -9.732 4.551 455 HA SER 59 HA SER 59 -6.532 -9.551 1.955 456 1HB SER 59 1HB SER 59 -8.414 -8.000 1.327 457 2HB SER 59 2HB SER 59 -9.023 -9.582 1.835 458 HG SER 59 HG SER 59 -8.821 -8.362 4.050 459 H VAL 60 H VAL 60 -4.888 -8.275 1.865 460 HA VAL 60 HA VAL 60 -4.188 -6.388 3.868 461 HB VAL 60 HB VAL 60 -3.246 -6.736 0.983 462 1HG1 VAL 60 1HG1 VAL 60 -2.633 -4.454 1.817 463 2HG1 VAL 60 2HG1 VAL 60 -1.208 -5.455 1.699 464 3HG1 VAL 60 3HG1 VAL 60 -1.940 -5.162 3.264 465 1HG2 VAL 60 1HG2 VAL 60 -2.051 -7.693 3.625 466 2HG2 VAL 60 2HG2 VAL 60 -1.350 -7.953 2.035 467 3HG2 VAL 60 3HG2 VAL 60 -2.874 -8.709 2.454 468 H GLU 61 H GLU 61 -6.301 -6.295 1.225 469 HA GLU 61 HA GLU 61 -6.271 -3.503 0.651 470 1HB GLU 61 1HB GLU 61 -7.187 -5.396 -0.778 471 2HB GLU 61 2HB GLU 61 -8.547 -5.507 0.322 472 1HG GLU 61 1HG GLU 61 -9.314 -3.317 -0.216 473 2HG GLU 61 2HG GLU 61 -7.802 -2.890 -1.012 474 H GLU 62 H GLU 62 -8.049 -5.538 2.891 475 HA GLU 62 HA GLU 62 -9.832 -3.521 3.874 476 1HB GLU 62 1HB GLU 62 -10.138 -5.971 4.149 477 2HB GLU 62 2HB GLU 62 -8.735 -6.047 5.173 478 1HG GLU 62 1HG GLU 62 -10.913 -5.974 6.486 479 2HG GLU 62 2HG GLU 62 -9.747 -4.751 6.939 480 H MET 63 H MET 63 -6.678 -4.709 4.699 481 HA MET 63 HA MET 63 -6.230 -3.211 7.059 482 1HB MET 63 1HB MET 63 -4.282 -4.246 5.049 483 2HB MET 63 2HB MET 63 -3.835 -3.694 6.645 484 1HG MET 63 1HG MET 63 -5.761 -5.975 6.048 485 2HG MET 63 2HG MET 63 -4.113 -6.174 6.528 486 1HE MET 63 1HE MET 63 -7.493 -4.281 8.393 487 2HE MET 63 2HE MET 63 -7.783 -5.944 8.920 488 3HE MET 63 3HE MET 63 -7.579 -5.604 7.223 489 H LYS 64 H LYS 64 -5.865 -2.483 3.649 490 HA LYS 64 HA LYS 64 -4.537 0.079 4.144 491 1HB LYS 64 1HB LYS 64 -5.702 -1.180 1.648 492 2HB LYS 64 2HB LYS 64 -5.060 0.448 1.656 493 1HG LYS 64 1HG LYS 64 -2.947 -0.813 2.831 494 2HG LYS 64 2HG LYS 64 -3.634 -2.191 2.016 495 1HD LYS 64 1HD LYS 64 -2.033 -1.274 0.524 496 2HD LYS 64 2HD LYS 64 -3.609 -0.853 -0.127 497 1HE LYS 64 1HE LYS 64 -3.416 1.439 0.884 498 2HE LYS 64 2HE LYS 64 -1.830 1.012 1.502 499 1HZ LYS 64 1HZ LYS 64 -1.575 0.403 -1.088 500 2HZ LYS 64 2HZ LYS 64 -1.144 1.893 -0.402 501 3HZ LYS 64 3HZ LYS 64 -2.648 1.714 -1.168 502 H LYS 65 H LYS 65 -7.799 -1.069 4.084 503 HA LYS 65 HA LYS 65 -9.063 1.355 3.291 504 1HB LYS 65 1HB LYS 65 -10.138 -0.931 3.393 505 2HB LYS 65 2HB LYS 65 -10.034 -0.854 5.140 506 1HG LYS 65 1HG LYS 65 -11.510 1.116 5.171 507 2HG LYS 65 2HG LYS 65 -11.571 1.116 3.413 508 1HD LYS 65 1HD LYS 65 -12.591 -1.189 3.489 509 2HD LYS 65 2HD LYS 65 -12.584 -1.107 5.241 510 1HE LYS 65 1HE LYS 65 -14.072 0.839 3.438 511 2HE LYS 65 2HE LYS 65 -14.805 -0.486 4.330 512 1HZ LYS 65 1HZ LYS 65 -13.528 1.948 5.393 513 2HZ LYS 65 2HZ LYS 65 -13.780 0.577 6.363 514 3HZ LYS 65 3HZ LYS 65 -15.105 1.372 5.655 515 H GLN 66 H GLN 66 -7.658 0.135 6.216 516 HA GLN 66 HA GLN 66 -8.713 2.063 8.015 517 1HB GLN 66 1HB GLN 66 -6.077 0.571 8.310 518 2HB GLN 66 2HB GLN 66 -7.189 1.038 9.580 519 1HG GLN 66 1HG GLN 66 -7.644 -1.134 7.494 520 2HG GLN 66 2HG GLN 66 -7.358 -1.378 9.185 521 1HE2 GLN 66 1HE2 GLN 66 -9.091 -0.621 10.710 522 2HE2 GLN 66 2HE2 GLN 66 -10.693 -0.520 10.156 523 H ILE 67 H ILE 67 -5.861 1.740 6.015 524 HA ILE 67 HA ILE 67 -4.413 4.023 6.917 525 HB ILE 67 HB ILE 67 -4.488 2.520 4.264 526 1HG1 ILE 67 1HG1 ILE 67 -2.589 2.416 6.629 527 2HG1 ILE 67 2HG1 ILE 67 -3.749 1.191 6.187 528 1HG2 ILE 67 1HG2 ILE 67 -2.537 4.676 5.089 529 2HG2 ILE 67 2HG2 ILE 67 -3.690 4.728 3.764 530 3HG2 ILE 67 3HG2 ILE 67 -2.341 3.629 3.686 531 1HD1 ILE 67 1HD1 ILE 67 -1.524 0.506 5.405 532 2HD1 ILE 67 2HD1 ILE 67 -1.342 1.989 4.489 533 3HD1 ILE 67 3HD1 ILE 67 -2.556 0.820 4.024 534 H GLU 68 H GLU 68 -6.948 3.496 4.607 535 HA GLU 68 HA GLU 68 -7.007 6.228 3.585 536 1HB GLU 68 1HB GLU 68 -8.944 3.925 3.351 537 2HB GLU 68 2HB GLU 68 -9.051 5.418 2.437 538 1HG GLU 68 1HG GLU 68 -6.943 4.965 1.320 539 2HG GLU 68 2HG GLU 68 -6.580 3.615 2.350 540 H ALA 69 H ALA 69 -8.508 4.470 6.133 541 HA ALA 69 HA ALA 69 -10.691 6.322 6.574 542 1HB ALA 69 1HB ALA 69 -10.765 3.978 7.344 543 2HB ALA 69 2HB ALA 69 -10.961 5.088 8.697 544 3HB ALA 69 3HB ALA 69 -9.416 4.291 8.430 545 H MET 70 H MET 70 -7.434 5.920 7.864 546 HA MET 70 HA MET 70 -7.704 7.922 9.858 547 1HB MET 70 1HB MET 70 -5.469 7.367 10.361 548 2HB MET 70 2HB MET 70 -6.147 5.883 9.755 549 1HG MET 70 1HG MET 70 -4.509 5.757 8.260 550 2HG MET 70 2HG MET 70 -5.102 7.197 7.487 551 1HE MET 70 1HE MET 70 -1.244 6.581 9.586 552 2HE MET 70 2HE MET 70 -2.323 5.451 8.803 553 3HE MET 70 3HE MET 70 -2.664 6.007 10.457 554 H GLY 71 H GLY 71 -7.210 8.046 6.503 555 1HA GLY 71 1HA GLY 71 -7.533 10.449 5.722 556 2HA GLY 71 2HA GLY 71 -6.137 10.829 6.699 557 H PHE 72 H PHE 72 -5.755 7.892 4.977 558 HA PHE 72 HA PHE 72 -4.194 9.323 2.849 559 1HB PHE 72 1HB PHE 72 -3.603 6.688 4.238 560 2HB PHE 72 2HB PHE 72 -2.761 7.249 2.833 561 HD1 PHE 72 HD1 PHE 72 -2.598 7.073 6.293 562 HD2 PHE 72 HD2 PHE 72 -1.768 9.772 3.125 563 HE1 PHE 72 HE1 PHE 72 -0.985 8.261 7.694 564 HE2 PHE 72 HE2 PHE 72 -0.173 10.943 4.491 565 HZ PHE 72 HZ PHE 72 0.243 10.203 6.819 566 HA PRO 73 HA PRO 73 -7.745 6.924 0.889 567 1HB PRO 73 1HB PRO 73 -7.336 8.887 -1.266 568 2HB PRO 73 2HB PRO 73 -8.806 8.443 -0.411 569 1HG PRO 73 1HG PRO 73 -7.336 10.810 -0.025 570 2HG PRO 73 2HG PRO 73 -8.577 10.195 1.049 571 1HD PRO 73 1HD PRO 73 -5.688 10.298 1.521 572 2HD PRO 73 2HD PRO 73 -6.988 9.855 2.644 573 H ALA 74 H ALA 74 -7.483 5.339 -0.590 574 HA ALA 74 HA ALA 74 -4.930 5.278 -2.147 575 1HB ALA 74 1HB ALA 74 -6.320 2.905 -0.842 576 2HB ALA 74 2HB ALA 74 -4.865 3.679 -0.236 577 3HB ALA 74 3HB ALA 74 -4.840 2.838 -1.776 578 H PHE 75 H PHE 75 -4.985 4.894 -4.095 579 HA PHE 75 HA PHE 75 -7.492 4.573 -5.562 580 1HB PHE 75 1HB PHE 75 -4.662 4.833 -6.706 581 2HB PHE 75 2HB PHE 75 -6.169 5.268 -7.495 582 HD1 PHE 75 HD1 PHE 75 -7.629 6.893 -5.588 583 HD2 PHE 75 HD2 PHE 75 -3.418 6.760 -6.253 584 HE1 PHE 75 HE1 PHE 75 -7.407 9.159 -4.680 585 HE2 PHE 75 HE2 PHE 75 -3.207 9.024 -5.343 586 HZ PHE 75 HZ PHE 75 -5.199 10.230 -4.554 587 H VAL 76 H VAL 76 -7.760 2.483 -4.601 588 HA VAL 76 HA VAL 76 -6.062 0.243 -5.092 589 HB VAL 76 HB VAL 76 -9.049 0.419 -4.462 590 1HG1 VAL 76 1HG1 VAL 76 -7.198 -1.999 -4.219 591 2HG1 VAL 76 2HG1 VAL 76 -8.507 -1.832 -5.377 592 3HG1 VAL 76 3HG1 VAL 76 -8.863 -1.920 -3.666 593 1HG2 VAL 76 1HG2 VAL 76 -7.600 1.442 -2.732 594 2HG2 VAL 76 2HG2 VAL 76 -6.639 -0.021 -2.647 595 3HG2 VAL 76 3HG2 VAL 76 -8.315 -0.039 -2.126 596 H LYS 77 H LYS 77 -5.968 -1.200 -6.682 597 HA LYS 77 HA LYS 77 -7.070 -0.543 -9.294 598 1HB LYS 77 1HB LYS 77 -5.661 -3.082 -8.410 599 2HB LYS 77 2HB LYS 77 -5.874 -2.553 -10.069 600 1HG LYS 77 1HG LYS 77 -4.483 -0.522 -9.574 601 2HG LYS 77 2HG LYS 77 -4.225 -1.115 -7.945 602 1HD LYS 77 1HD LYS 77 -3.367 -2.528 -10.513 603 2HD LYS 77 2HD LYS 77 -2.302 -1.697 -9.396 604 1HE LYS 77 1HE LYS 77 -3.008 -3.329 -7.590 605 2HE LYS 77 2HE LYS 77 -3.927 -4.211 -8.798 606 1HZ LYS 77 1HZ LYS 77 -2.134 -5.134 -9.636 607 2HZ LYS 77 2HZ LYS 77 -1.357 -4.655 -8.203 608 3HZ LYS 77 3HZ LYS 77 -1.229 -3.696 -9.598 609 H LYS 78 H LYS 78 -7.477 -3.149 -6.984 610 HA LYS 78 HA LYS 78 -9.408 -4.678 -8.344 611 1HB LYS 78 1HB LYS 78 -8.051 -5.468 -6.427 612 2HB LYS 78 2HB LYS 78 -8.902 -4.362 -5.370 613 1HG LYS 78 1HG LYS 78 -11.031 -5.561 -5.769 614 2HG LYS 78 2HG LYS 78 -10.236 -6.630 -6.914 615 1HD LYS 78 1HD LYS 78 -8.747 -7.452 -5.082 616 2HD LYS 78 2HD LYS 78 -9.550 -6.381 -3.949 617 1HE LYS 78 1HE LYS 78 -11.710 -7.540 -4.369 618 2HE LYS 78 2HE LYS 78 -10.900 -8.630 -5.490 619 1HZ LYS 78 1HZ LYS 78 -10.131 -8.305 -2.650 620 2HZ LYS 78 2HZ LYS 78 -9.555 -9.467 -3.746 621 3HZ LYS 78 3HZ LYS 78 -11.171 -9.517 -3.226 622 H GLN 79 H GLN 79 -11.026 -3.495 -9.176 623 HA GLN 79 HA GLN 79 -13.090 -2.430 -7.303 624 1HB GLN 79 1HB GLN 79 -12.178 -1.074 -9.894 625 2HB GLN 79 2HB GLN 79 -13.461 -0.508 -8.847 626 1HG GLN 79 1HG GLN 79 -10.521 -0.708 -8.046 627 2HG GLN 79 2HG GLN 79 -11.356 0.767 -8.485 628 1HE2 GLN 79 1HE2 GLN 79 -13.766 0.565 -7.095 629 2HE2 GLN 79 2HE2 GLN 79 -13.459 0.494 -5.427 630 HA PRO 80 HA PRO 80 -14.222 -5.627 -10.537 631 1HB PRO 80 1HB PRO 80 -15.784 -7.187 -8.785 632 2HB PRO 80 2HB PRO 80 -14.110 -7.487 -9.226 633 1HG PRO 80 1HG PRO 80 -15.205 -6.342 -6.721 634 2HG PRO 80 2HG PRO 80 -13.673 -7.162 -6.989 635 1HD PRO 80 1HD PRO 80 -13.980 -4.385 -6.657 636 2HD PRO 80 2HD PRO 80 -12.563 -5.181 -7.366 637 H LYS 81 H LYS 81 -16.413 -4.590 -7.984 638 HA LYS 81 HA LYS 81 -18.860 -4.752 -9.362 639 1HB LYS 81 1HB LYS 81 -19.750 -3.258 -7.651 640 2HB LYS 81 2HB LYS 81 -18.613 -4.347 -6.901 641 1HG LYS 81 1HG LYS 81 -18.006 -1.448 -7.662 642 2HG LYS 81 2HG LYS 81 -18.400 -2.018 -6.061 643 1HD LYS 81 1HD LYS 81 -16.337 -3.489 -6.112 644 2HD LYS 81 2HD LYS 81 -15.912 -2.773 -7.657 645 1HE LYS 81 1HE LYS 81 -14.713 -1.634 -5.863 646 2HE LYS 81 2HE LYS 81 -15.825 -0.529 -6.661 647 1HZ LYS 81 1HZ LYS 81 -17.279 -0.588 -4.887 648 2HZ LYS 81 2HZ LYS 81 -15.755 -0.573 -4.135 649 3HZ LYS 81 3HZ LYS 81 -16.630 -2.024 -4.254 650 H TYR 82 H TYR 82 -16.444 -2.246 -9.385 651 HA TYR 82 HA TYR 82 -18.029 -0.323 -10.896 652 1HB TYR 82 1HB TYR 82 -16.213 0.378 -9.328 653 2HB TYR 82 2HB TYR 82 -15.035 -0.451 -10.330 654 HD1 TYR 82 HD1 TYR 82 -17.468 2.362 -10.294 655 HD2 TYR 82 HD2 TYR 82 -14.190 0.566 -12.338 656 HE1 TYR 82 HE1 TYR 82 -17.252 4.353 -11.703 657 HE2 TYR 82 HE2 TYR 82 -13.978 2.559 -13.743 658 HH TYR 82 HH TYR 82 -16.150 4.660 -14.296 659 H LEU 83 H LEU 83 -15.695 -2.808 -11.549 660 HA LEU 83 HA LEU 83 -15.319 -2.149 -14.356 661 1HB LEU 83 1HB LEU 83 -13.553 -3.259 -12.999 662 2HB LEU 83 2HB LEU 83 -14.601 -4.634 -12.737 663 HG LEU 83 HG LEU 83 -14.581 -5.118 -15.205 664 1HD1 LEU 83 1HD1 LEU 83 -14.143 -2.789 -16.041 665 2HD1 LEU 83 2HD1 LEU 83 -12.958 -3.920 -16.655 666 3HD1 LEU 83 3HD1 LEU 83 -12.538 -2.848 -15.330 667 1HD2 LEU 83 1HD2 LEU 83 -12.237 -5.906 -15.295 668 2HD2 LEU 83 2HD2 LEU 83 -12.937 -6.206 -13.715 669 3HD2 LEU 83 3HD2 LEU 83 -11.824 -4.866 -13.942 670 H LYS 84 H LYS 84 -15.999 -3.394 -16.105 671 HA LYS 84 HA LYS 84 -18.304 -5.243 -15.696 672 1HB LYS 84 1HB LYS 84 -19.038 -2.852 -16.231 673 2HB LYS 84 2HB LYS 84 -18.197 -2.971 -17.756 674 1HG LYS 84 1HG LYS 84 -20.464 -4.824 -16.905 675 2HG LYS 84 2HG LYS 84 -20.690 -3.390 -17.879 676 1HD LYS 84 1HD LYS 84 -19.104 -4.401 -19.604 677 2HD LYS 84 2HD LYS 84 -19.117 -5.883 -18.661 678 1HE LYS 84 1HE LYS 84 -21.557 -6.070 -18.882 679 2HE LYS 84 2HE LYS 84 -21.593 -4.591 -19.836 680 1HZ LYS 84 1HZ LYS 84 -21.587 -6.619 -21.176 681 2HZ LYS 84 2HZ LYS 84 -20.055 -7.014 -20.560 682 3HZ LYS 84 3HZ LYS 84 -20.256 -5.615 -21.501 Start of MODEL 2 1 1H GLY 1 1H GLY 1 2.960 -17.527 -16.685 2 2H GLY 1 2H GLY 1 4.470 -18.304 -16.614 3 3H GLY 1 3H GLY 1 3.042 -19.199 -16.397 4 1HA GLY 1 1HA GLY 1 3.792 -17.797 -18.900 5 2HA GLY 1 2HA GLY 1 4.011 -19.525 -18.608 6 H SER 2 H SER 2 1.809 -20.268 -17.347 7 HA SER 2 HA SER 2 -0.593 -19.366 -18.834 8 1HB SER 2 1HB SER 2 0.419 -22.262 -18.837 9 2HB SER 2 2HB SER 2 -1.140 -21.735 -19.493 10 HG SER 2 HG SER 2 1.436 -20.835 -20.257 11 H MET 3 H MET 3 0.880 -21.226 -16.297 12 HA MET 3 HA MET 3 -1.321 -20.646 -14.464 13 1HB MET 3 1HB MET 3 -1.752 -23.061 -13.924 14 2HB MET 3 2HB MET 3 -2.199 -22.670 -15.571 15 1HG MET 3 1HG MET 3 0.024 -23.556 -16.341 16 2HG MET 3 2HG MET 3 0.383 -24.006 -14.699 17 1HE MET 3 1HE MET 3 -2.401 -24.414 -17.412 18 2HE MET 3 2HE MET 3 -2.256 -26.136 -17.702 19 3HE MET 3 3HE MET 3 -0.881 -25.098 -18.039 20 H ALA 4 H ALA 4 -0.869 -21.426 -12.286 21 HA ALA 4 HA ALA 4 1.910 -22.170 -11.640 22 1HB ALA 4 1HB ALA 4 1.997 -19.684 -11.847 23 2HB ALA 4 2HB ALA 4 2.232 -20.166 -10.176 24 3HB ALA 4 3HB ALA 4 0.676 -19.539 -10.697 25 H GLN 5 H GLN 5 2.077 -21.964 -9.095 26 HA GLN 5 HA GLN 5 0.373 -23.950 -7.997 27 1HB GLN 5 1HB GLN 5 1.455 -23.338 -5.818 28 2HB GLN 5 2HB GLN 5 2.615 -23.554 -7.114 29 1HG GLN 5 1HG GLN 5 2.790 -21.111 -7.432 30 2HG GLN 5 2HG GLN 5 1.522 -20.843 -6.251 31 1HE2 GLN 5 1HE2 GLN 5 4.826 -22.162 -6.594 32 2HE2 GLN 5 2HE2 GLN 5 5.275 -21.887 -4.981 33 H ALA 6 H ALA 6 -0.077 -20.579 -8.269 34 HA ALA 6 HA ALA 6 -1.727 -19.101 -7.584 35 1HB ALA 6 1HB ALA 6 -4.020 -20.080 -7.432 36 2HB ALA 6 2HB ALA 6 -3.333 -21.692 -7.359 37 3HB ALA 6 3HB ALA 6 -3.139 -20.719 -8.807 38 H GLY 7 H GLY 7 0.048 -20.107 -5.555 39 1HA GLY 7 1HA GLY 7 -1.612 -20.116 -3.070 40 2HA GLY 7 2HA GLY 7 0.069 -20.629 -3.189 41 H GLU 8 H GLU 8 -0.954 -17.788 -4.819 42 HA GLU 8 HA GLU 8 -0.216 -15.928 -2.709 43 1HB GLU 8 1HB GLU 8 1.696 -14.946 -3.985 44 2HB GLU 8 2HB GLU 8 1.946 -16.643 -3.601 45 1HG GLU 8 1HG GLU 8 0.964 -15.678 -6.319 46 2HG GLU 8 2HG GLU 8 2.636 -16.035 -5.947 47 H VAL 9 H VAL 9 -0.569 -13.726 -3.287 48 HA VAL 9 HA VAL 9 -1.995 -13.133 -5.808 49 HB VAL 9 HB VAL 9 -3.859 -11.955 -4.480 50 1HG1 VAL 9 1HG1 VAL 9 -5.133 -14.041 -4.072 51 2HG1 VAL 9 2HG1 VAL 9 -3.649 -14.974 -4.141 52 3HG1 VAL 9 3HG1 VAL 9 -4.234 -14.145 -5.575 53 1HG2 VAL 9 1HG2 VAL 9 -2.878 -13.686 -2.167 54 2HG2 VAL 9 2HG2 VAL 9 -4.295 -12.676 -2.162 55 3HG2 VAL 9 3HG2 VAL 9 -2.707 -11.939 -2.202 56 H VAL 10 H VAL 10 -1.341 -11.294 -6.579 57 HA VAL 10 HA VAL 10 0.256 -9.430 -4.911 58 HB VAL 10 HB VAL 10 0.865 -8.425 -7.184 59 1HG1 VAL 10 1HG1 VAL 10 1.342 -11.425 -6.846 60 2HG1 VAL 10 2HG1 VAL 10 2.298 -10.153 -6.108 61 3HG1 VAL 10 3HG1 VAL 10 2.302 -10.348 -7.847 62 1HG2 VAL 10 1HG2 VAL 10 0.347 -9.730 -9.215 63 2HG2 VAL 10 2HG2 VAL 10 -1.156 -9.203 -8.498 64 3HG2 VAL 10 3HG2 VAL 10 -0.625 -10.858 -8.289 65 H LEU 11 H LEU 11 -0.761 -7.835 -3.990 66 HA LEU 11 HA LEU 11 -3.135 -6.565 -5.297 67 1HB LEU 11 1HB LEU 11 -2.399 -6.883 -2.361 68 2HB LEU 11 2HB LEU 11 -3.678 -5.831 -2.901 69 HG LEU 11 HG LEU 11 -4.569 -7.943 -2.062 70 1HD1 LEU 11 1HD1 LEU 11 -6.036 -8.487 -3.976 71 2HD1 LEU 11 2HD1 LEU 11 -4.973 -7.594 -5.049 72 3HD1 LEU 11 3HD1 LEU 11 -5.819 -6.763 -3.750 73 1HD2 LEU 11 1HD2 LEU 11 -4.287 -10.064 -3.224 74 2HD2 LEU 11 2HD2 LEU 11 -2.704 -9.492 -2.728 75 3HD2 LEU 11 3HD2 LEU 11 -3.219 -9.350 -4.399 76 H LYS 12 H LYS 12 -2.509 -4.736 -6.257 77 HA LYS 12 HA LYS 12 -0.421 -3.012 -4.987 78 1HB LYS 12 1HB LYS 12 -1.658 -2.875 -7.785 79 2HB LYS 12 2HB LYS 12 -0.458 -1.772 -7.174 80 1HG LYS 12 1HG LYS 12 0.661 -3.366 -8.585 81 2HG LYS 12 2HG LYS 12 1.178 -3.613 -6.942 82 1HD LYS 12 1HD LYS 12 0.781 -5.752 -8.131 83 2HD LYS 12 2HD LYS 12 -0.283 -5.623 -6.758 84 1HE LYS 12 1HE LYS 12 -2.134 -4.885 -8.289 85 2HE LYS 12 2HE LYS 12 -1.026 -4.962 -9.653 86 1HZ LYS 12 1HZ LYS 12 -1.367 -7.114 -9.818 87 2HZ LYS 12 2HZ LYS 12 -2.573 -6.984 -8.628 88 3HZ LYS 12 3HZ LYS 12 -0.981 -7.370 -8.184 89 H MET 13 H MET 13 -0.945 -1.168 -4.035 90 HA MET 13 HA MET 13 -3.500 0.180 -4.691 91 1HB MET 13 1HB MET 13 -2.636 -0.599 -1.902 92 2HB MET 13 2HB MET 13 -3.976 0.465 -2.242 93 1HG MET 13 1HG MET 13 -4.994 -1.646 -1.876 94 2HG MET 13 2HG MET 13 -4.978 -1.461 -3.598 95 1HE MET 13 1HE MET 13 -2.491 -2.852 -0.813 96 2HE MET 13 2HE MET 13 -2.811 -4.556 -1.086 97 3HE MET 13 3HE MET 13 -4.130 -3.514 -0.594 98 H LYS 14 H LYS 14 -3.392 2.277 -4.529 99 HA LYS 14 HA LYS 14 -0.805 3.548 -3.776 100 1HB LYS 14 1HB LYS 14 -1.511 3.875 -6.096 101 2HB LYS 14 2HB LYS 14 -3.039 4.473 -5.502 102 1HG LYS 14 1HG LYS 14 -1.895 6.412 -4.426 103 2HG LYS 14 2HG LYS 14 -0.342 5.774 -4.940 104 1HD LYS 14 1HD LYS 14 -0.988 6.076 -7.310 105 2HD LYS 14 2HD LYS 14 -2.602 6.549 -6.827 106 1HE LYS 14 1HE LYS 14 -1.241 8.550 -7.361 107 2HE LYS 14 2HE LYS 14 -1.693 8.551 -5.665 108 1HZ LYS 14 1HZ LYS 14 0.906 8.281 -6.895 109 2HZ LYS 14 2HZ LYS 14 0.633 7.256 -5.572 110 3HZ LYS 14 3HZ LYS 14 0.471 8.935 -5.390 111 H VAL 15 H VAL 15 -0.873 5.414 -2.448 112 HA VAL 15 HA VAL 15 -3.397 5.926 -0.980 113 HB VAL 15 HB VAL 15 -0.675 5.065 -0.089 114 1HG1 VAL 15 1HG1 VAL 15 -2.336 6.907 1.626 115 2HG1 VAL 15 2HG1 VAL 15 -0.760 7.304 0.930 116 3HG1 VAL 15 3HG1 VAL 15 -0.896 6.033 2.135 117 1HG2 VAL 15 1HG2 VAL 15 -1.930 3.980 1.684 118 2HG2 VAL 15 2HG2 VAL 15 -2.651 3.598 0.128 119 3HG2 VAL 15 3HG2 VAL 15 -3.400 4.801 1.180 120 H GLU 16 H GLU 16 -3.252 7.967 0.267 121 HA GLU 16 HA GLU 16 -2.277 10.153 -1.478 122 1HB GLU 16 1HB GLU 16 -4.643 10.195 -0.609 123 2HB GLU 16 2HB GLU 16 -4.021 10.164 1.029 124 1HG GLU 16 1HG GLU 16 -2.738 12.327 0.435 125 2HG GLU 16 2HG GLU 16 -3.688 12.362 -1.038 126 H GLY 17 H GLY 17 -0.194 10.690 -1.037 127 1HA GLY 17 1HA GLY 17 1.167 10.060 1.380 128 2HA GLY 17 2HA GLY 17 1.793 11.063 0.092 129 H MET 18 H MET 18 -1.099 12.317 1.107 130 HA MET 18 HA MET 18 -1.689 14.315 2.031 131 1HB MET 18 1HB MET 18 -1.804 12.758 3.877 132 2HB MET 18 2HB MET 18 -0.099 12.979 4.216 133 1HG MET 18 1HG MET 18 -0.484 15.295 4.863 134 2HG MET 18 2HG MET 18 -2.147 15.213 4.351 135 1HE MET 18 1HE MET 18 -0.510 12.815 7.873 136 2HE MET 18 2HE MET 18 0.481 14.055 7.092 137 3HE MET 18 3HE MET 18 -0.073 12.626 6.201 138 H THR 19 H THR 19 -0.862 15.995 1.038 139 HA THR 19 HA THR 19 1.755 16.893 0.801 140 HB THR 19 HB THR 19 -0.091 17.845 -0.535 141 HG1 THR 19 HG1 THR 19 1.850 19.112 0.429 142 1HG2 THR 19 1HG2 THR 19 -0.969 19.224 2.070 143 2HG2 THR 19 2HG2 THR 19 -1.848 17.900 1.326 144 3HG2 THR 19 3HG2 THR 19 -1.701 19.434 0.489 145 H CYS 20 H CYS 20 -0.322 17.250 3.573 146 HA CYS 20 HA CYS 20 1.059 19.379 4.876 147 1HB CYS 20 1HB CYS 20 -1.191 18.606 5.517 148 2HB CYS 20 2HB CYS 20 -0.539 17.083 6.049 149 H HIS 21 H HIS 21 1.242 15.870 5.416 150 HA HIS 21 HA HIS 21 4.118 15.909 5.779 151 1HB HIS 21 1HB HIS 21 3.329 16.845 8.002 152 2HB HIS 21 2HB HIS 21 2.353 15.409 8.248 153 HD1 HIS 21 HD1 HIS 21 5.409 14.321 6.796 154 HD2 HIS 21 HD2 HIS 21 4.310 15.395 10.577 155 HE1 HIS 21 HE1 HIS 21 7.117 13.382 8.306 156 H SER 22 H SER 22 3.029 13.524 7.789 157 HA SER 22 HA SER 22 1.869 11.579 6.074 158 1HB SER 22 1HB SER 22 3.929 10.088 5.792 159 2HB SER 22 2HB SER 22 4.071 11.589 4.873 160 HG SER 22 HG SER 22 5.142 12.485 6.700 161 H CYS 23 H CYS 23 1.811 9.487 7.047 162 HA CYS 23 HA CYS 23 2.669 9.205 9.869 163 1HB CYS 23 1HB CYS 23 0.405 10.279 9.888 164 2HB CYS 23 2HB CYS 23 -0.213 8.970 8.921 165 H THR 24 H THR 24 3.265 8.110 7.227 166 HA THR 24 HA THR 24 2.192 5.447 7.016 167 HB THR 24 HB THR 24 3.998 5.148 5.300 168 HG1 THR 24 HG1 THR 24 5.524 6.383 6.471 169 1HG2 THR 24 1HG2 THR 24 2.755 7.976 5.167 170 2HG2 THR 24 2HG2 THR 24 1.911 6.533 4.636 171 3HG2 THR 24 3HG2 THR 24 3.356 7.064 3.797 172 H SER 25 H SER 25 4.572 6.734 9.033 173 HA SER 25 HA SER 25 6.453 4.641 9.263 174 1HB SER 25 1HB SER 25 6.770 5.535 11.640 175 2HB SER 25 2HB SER 25 6.714 6.837 10.443 176 HG SER 25 HG SER 25 4.595 5.856 12.045 177 H THR 26 H THR 26 3.287 5.045 10.651 178 HA THR 26 HA THR 26 3.340 2.649 12.257 179 HB THR 26 HB THR 26 0.879 3.201 12.632 180 HG1 THR 26 HG1 THR 26 1.523 4.693 10.371 181 1HG2 THR 26 1HG2 THR 26 1.159 5.492 13.537 182 2HG2 THR 26 2HG2 THR 26 2.592 5.755 12.557 183 3HG2 THR 26 3HG2 THR 26 2.636 4.606 13.885 184 H ILE 27 H ILE 27 2.116 3.576 9.099 185 HA ILE 27 HA ILE 27 0.574 1.259 8.515 186 HB ILE 27 HB ILE 27 2.076 3.186 6.671 187 1HG1 ILE 27 1HG1 ILE 27 -0.831 3.087 7.622 188 2HG1 ILE 27 2HG1 ILE 27 0.366 4.248 8.149 189 1HG2 ILE 27 1HG2 ILE 27 0.554 2.361 4.869 190 2HG2 ILE 27 2HG2 ILE 27 -0.106 1.182 5.995 191 3HG2 ILE 27 3HG2 ILE 27 1.567 1.077 5.476 192 1HD1 ILE 27 1HD1 ILE 27 0.533 5.140 5.818 193 2HD1 ILE 27 2HD1 ILE 27 -1.096 5.250 6.454 194 3HD1 ILE 27 3HD1 ILE 27 -0.691 4.000 5.300 195 H GLU 28 H GLU 28 3.984 1.935 8.177 196 HA GLU 28 HA GLU 28 4.802 -0.206 6.602 197 1HB GLU 28 1HB GLU 28 6.068 1.877 7.334 198 2HB GLU 28 2HB GLU 28 6.346 1.107 8.870 199 1HG GLU 28 1HG GLU 28 7.436 -0.800 7.727 200 2HG GLU 28 2HG GLU 28 7.193 0.019 6.183 201 H GLY 29 H GLY 29 5.190 0.099 10.053 202 1HA GLY 29 1HA GLY 29 5.801 -2.666 10.564 203 2HA GLY 29 2HA GLY 29 5.438 -1.458 11.781 204 H LYS 30 H LYS 30 2.780 -1.048 10.267 205 HA LYS 30 HA LYS 30 1.264 -2.913 11.925 206 1HB LYS 30 1HB LYS 30 0.420 -0.627 11.581 207 2HB LYS 30 2HB LYS 30 0.406 -0.847 9.844 208 1HG LYS 30 1HG LYS 30 -1.869 -1.044 10.749 209 2HG LYS 30 2HG LYS 30 -1.375 -2.581 10.078 210 1HD LYS 30 1HD LYS 30 -0.815 -3.400 12.376 211 2HD LYS 30 2HD LYS 30 -1.279 -1.843 13.041 212 1HE LYS 30 1HE LYS 30 -3.595 -2.179 12.179 213 2HE LYS 30 2HE LYS 30 -3.117 -3.733 11.506 214 1HZ LYS 30 1HZ LYS 30 -2.555 -4.478 13.729 215 2HZ LYS 30 2HZ LYS 30 -4.183 -4.002 13.626 216 3HZ LYS 30 3HZ LYS 30 -3.044 -2.983 14.370 217 H ILE 31 H ILE 31 1.516 -2.271 8.497 218 HA ILE 31 HA ILE 31 0.080 -4.603 7.649 219 HB ILE 31 HB ILE 31 1.952 -2.709 6.151 220 1HG1 ILE 31 1HG1 ILE 31 -1.097 -2.856 6.435 221 2HG1 ILE 31 2HG1 ILE 31 -0.073 -1.641 7.166 222 1HG2 ILE 31 1HG2 ILE 31 1.671 -4.892 4.946 223 2HG2 ILE 31 2HG2 ILE 31 0.910 -3.573 4.094 224 3HG2 ILE 31 3HG2 ILE 31 -0.073 -4.690 5.019 225 1HD1 ILE 31 1HD1 ILE 31 -1.134 -0.746 5.156 226 2HD1 ILE 31 2HD1 ILE 31 -0.481 -2.036 4.174 227 3HD1 ILE 31 3HD1 ILE 31 0.601 -0.855 4.893 228 H GLY 32 H GLY 32 3.361 -4.013 8.516 229 1HA GLY 32 1HA GLY 32 4.539 -6.256 7.172 230 2HA GLY 32 2HA GLY 32 5.302 -5.271 8.407 231 H LYS 33 H LYS 33 2.679 -5.877 9.940 232 HA LYS 33 HA LYS 33 3.709 -8.210 11.352 233 1HB LYS 33 1HB LYS 33 2.808 -5.840 12.207 234 2HB LYS 33 2HB LYS 33 1.360 -6.816 12.406 235 1HG LYS 33 1HG LYS 33 4.112 -7.399 13.587 236 2HG LYS 33 2HG LYS 33 2.746 -6.757 14.472 237 1HD LYS 33 1HD LYS 33 1.470 -8.874 13.985 238 2HD LYS 33 2HD LYS 33 2.903 -9.517 13.193 239 1HE LYS 33 1HE LYS 33 4.200 -9.289 15.285 240 2HE LYS 33 2HE LYS 33 2.781 -8.643 16.101 241 1HZ LYS 33 1HZ LYS 33 2.977 -11.321 14.854 242 2HZ LYS 33 2HZ LYS 33 1.622 -10.697 15.666 243 3HZ LYS 33 3HZ LYS 33 3.063 -10.989 16.518 244 H LEU 34 H LEU 34 1.639 -7.795 8.843 245 HA LEU 34 HA LEU 34 -0.633 -9.264 9.626 246 1HB LEU 34 1HB LEU 34 0.606 -8.653 6.943 247 2HB LEU 34 2HB LEU 34 -0.974 -9.386 7.110 248 HG LEU 34 HG LEU 34 -0.184 -6.661 8.244 249 1HD1 LEU 34 1HD1 LEU 34 -0.258 -6.726 5.741 250 2HD1 LEU 34 2HD1 LEU 34 -1.571 -5.759 6.386 251 3HD1 LEU 34 3HD1 LEU 34 -1.880 -7.385 5.804 252 1HD2 LEU 34 1HD2 LEU 34 -2.924 -7.990 8.021 253 2HD2 LEU 34 2HD2 LEU 34 -2.622 -6.360 8.600 254 3HD2 LEU 34 3HD2 LEU 34 -2.047 -7.733 9.519 255 H GLN 35 H GLN 35 -1.068 -11.292 9.714 256 HA GLN 35 HA GLN 35 1.015 -13.267 9.324 257 1HB GLN 35 1HB GLN 35 -0.493 -13.229 11.297 258 2HB GLN 35 2HB GLN 35 -1.862 -13.550 10.248 259 1HG GLN 35 1HG GLN 35 0.521 -15.419 10.485 260 2HG GLN 35 2HG GLN 35 -0.906 -15.561 11.501 261 1HE2 GLN 35 1HE2 GLN 35 0.329 -17.225 9.131 262 2HE2 GLN 35 2HE2 GLN 35 -1.026 -17.562 8.166 263 H GLY 36 H GLY 36 0.934 -14.958 7.978 264 1HA GLY 36 1HA GLY 36 0.380 -16.292 6.134 265 2HA GLY 36 2HA GLY 36 -1.180 -15.494 6.092 266 H VAL 37 H VAL 37 1.392 -13.343 6.161 267 HA VAL 37 HA VAL 37 1.031 -12.655 3.329 268 HB VAL 37 HB VAL 37 2.201 -11.155 5.749 269 1HG1 VAL 37 1HG1 VAL 37 3.599 -10.644 3.724 270 2HG1 VAL 37 2HG1 VAL 37 2.619 -9.276 4.220 271 3HG1 VAL 37 3HG1 VAL 37 2.131 -10.253 2.838 272 1HG2 VAL 37 1HG2 VAL 37 -0.090 -10.647 3.815 273 2HG2 VAL 37 2HG2 VAL 37 0.353 -9.620 5.155 274 3HG2 VAL 37 3HG2 VAL 37 -0.257 -11.245 5.456 275 H GLN 38 H GLN 38 2.615 -12.632 1.887 276 HA GLN 38 HA GLN 38 5.032 -14.242 2.504 277 1HB GLN 38 1HB GLN 38 3.745 -13.363 -0.137 278 2HB GLN 38 2HB GLN 38 5.156 -14.406 -0.009 279 1HG GLN 38 1HG GLN 38 3.878 -16.139 1.072 280 2HG GLN 38 2HG GLN 38 2.500 -15.068 1.314 281 1HE2 GLN 38 1HE2 GLN 38 1.819 -13.987 -0.929 282 2HE2 GLN 38 2HE2 GLN 38 1.596 -15.097 -2.187 283 H ARG 39 H ARG 39 4.539 -11.742 0.123 284 HA ARG 39 HA ARG 39 6.975 -10.328 1.103 285 1HB ARG 39 1HB ARG 39 6.796 -10.944 -1.385 286 2HB ARG 39 2HB ARG 39 5.420 -9.863 -1.497 287 1HG ARG 39 1HG ARG 39 7.397 -8.684 -2.258 288 2HG ARG 39 2HG ARG 39 6.828 -7.936 -0.789 289 1HD ARG 39 1HD ARG 39 8.614 -9.540 0.400 290 2HD ARG 39 2HD ARG 39 9.276 -9.682 -1.213 291 HE ARG 39 HE ARG 39 9.258 -7.312 0.496 292 1HH1 ARG 39 1HH1 ARG 39 9.675 -8.573 -2.709 293 2HH1 ARG 39 2HH1 ARG 39 10.602 -7.213 -3.244 294 1HH2 ARG 39 1HH2 ARG 39 10.428 -5.582 -0.165 295 2HH2 ARG 39 2HH2 ARG 39 11.034 -5.494 -1.786 296 H ILE 40 H ILE 40 6.930 -8.072 1.374 297 HA ILE 40 HA ILE 40 4.352 -6.682 1.487 298 HB ILE 40 HB ILE 40 4.615 -8.071 3.634 299 1HG1 ILE 40 1HG1 ILE 40 3.125 -6.197 3.621 300 2HG1 ILE 40 2HG1 ILE 40 3.866 -6.366 5.174 301 1HG2 ILE 40 1HG2 ILE 40 6.139 -7.352 5.405 302 2HG2 ILE 40 2HG2 ILE 40 6.892 -6.186 4.346 303 3HG2 ILE 40 3HG2 ILE 40 7.029 -7.902 3.999 304 1HD1 ILE 40 1HD1 ILE 40 4.648 -4.296 3.066 305 2HD1 ILE 40 2HD1 ILE 40 5.459 -4.493 4.614 306 3HD1 ILE 40 3HD1 ILE 40 3.785 -3.983 4.553 307 H LYS 41 H LYS 41 4.888 -4.853 0.447 308 HA LYS 41 HA LYS 41 7.264 -3.339 1.268 309 1HB LYS 41 1HB LYS 41 8.017 -3.199 -1.169 310 2HB LYS 41 2HB LYS 41 8.231 -4.773 -0.427 311 1HG LYS 41 1HG LYS 41 6.077 -5.548 -1.441 312 2HG LYS 41 2HG LYS 41 5.868 -3.974 -2.195 313 1HD LYS 41 1HD LYS 41 7.915 -4.290 -3.487 314 2HD LYS 41 2HD LYS 41 8.249 -5.795 -2.643 315 1HE LYS 41 1HE LYS 41 7.235 -6.248 -4.865 316 2HE LYS 41 2HE LYS 41 6.176 -6.799 -3.576 317 1HZ LYS 41 1HZ LYS 41 5.186 -5.448 -5.469 318 2HZ LYS 41 2HZ LYS 41 5.889 -4.099 -4.713 319 3HZ LYS 41 3HZ LYS 41 4.750 -5.042 -3.879 320 H VAL 42 H VAL 42 7.361 -1.264 0.129 321 HA VAL 42 HA VAL 42 4.730 -0.275 -0.824 322 HB VAL 42 HB VAL 42 6.445 1.038 1.338 323 1HG1 VAL 42 1HG1 VAL 42 4.598 2.683 1.486 324 2HG1 VAL 42 2HG1 VAL 42 3.756 1.898 0.162 325 3HG1 VAL 42 3HG1 VAL 42 5.288 2.711 -0.117 326 1HG2 VAL 42 1HG2 VAL 42 5.162 -0.897 2.231 327 2HG2 VAL 42 2HG2 VAL 42 3.681 -0.244 1.548 328 3HG2 VAL 42 3HG2 VAL 42 4.505 0.606 2.844 329 H SER 43 H SER 43 4.806 1.395 -2.162 330 HA SER 43 HA SER 43 7.457 1.977 -3.422 331 1HB SER 43 1HB SER 43 5.834 0.962 -4.966 332 2HB SER 43 2HB SER 43 4.627 2.184 -4.573 333 HG SER 43 HG SER 43 7.186 2.998 -5.359 334 H LEU 44 H LEU 44 8.018 4.035 -3.965 335 HA LEU 44 HA LEU 44 7.344 6.109 -2.100 336 1HB LEU 44 1HB LEU 44 8.870 6.281 -4.730 337 2HB LEU 44 2HB LEU 44 8.899 7.497 -3.471 338 HG LEU 44 HG LEU 44 9.865 4.613 -3.114 339 1HD1 LEU 44 1HD1 LEU 44 12.132 5.627 -3.094 340 2HD1 LEU 44 2HD1 LEU 44 11.440 7.207 -3.425 341 3HD1 LEU 44 3HD1 LEU 44 11.331 5.930 -4.626 342 1HD2 LEU 44 1HD2 LEU 44 10.811 5.457 -0.972 343 2HD2 LEU 44 2HD2 LEU 44 9.071 5.653 -0.974 344 3HD2 LEU 44 3HD2 LEU 44 10.109 7.039 -1.268 345 H ASP 45 H ASP 45 5.502 5.092 -4.571 346 HA ASP 45 HA ASP 45 4.620 7.686 -5.622 347 1HB ASP 45 1HB ASP 45 4.651 5.689 -7.086 348 2HB ASP 45 2HB ASP 45 3.610 4.828 -5.973 349 H ASN 46 H ASN 46 4.342 8.267 -3.260 350 HA ASN 46 HA ASN 46 3.001 8.823 -1.449 351 1HB ASN 46 1HB ASN 46 0.761 8.336 -3.492 352 2HB ASN 46 2HB ASN 46 0.628 9.272 -2.012 353 1HD2 ASN 46 1HD2 ASN 46 1.383 11.412 -2.007 354 2HD2 ASN 46 2HD2 ASN 46 2.059 12.168 -3.370 355 H GLN 47 H GLN 47 3.804 6.766 -0.623 356 HA GLN 47 HA GLN 47 3.651 4.667 0.289 357 1HB GLN 47 1HB GLN 47 2.487 6.391 1.779 358 2HB GLN 47 2HB GLN 47 0.987 5.900 1.056 359 1HG GLN 47 1HG GLN 47 1.177 4.816 3.236 360 2HG GLN 47 2HG GLN 47 1.303 3.569 2.020 361 1HE2 GLN 47 1HE2 GLN 47 4.166 5.543 2.323 362 2HE2 GLN 47 2HE2 GLN 47 5.064 4.428 3.232 363 H GLU 48 H GLU 48 3.120 4.385 -2.243 364 HA GLU 48 HA GLU 48 0.600 2.955 -2.657 365 1HB GLU 48 1HB GLU 48 1.522 4.196 -4.535 366 2HB GLU 48 2HB GLU 48 3.064 3.386 -4.418 367 1HG GLU 48 1HG GLU 48 1.936 1.252 -5.151 368 2HG GLU 48 2HG GLU 48 0.385 2.071 -5.139 369 H ALA 49 H ALA 49 0.658 1.504 -1.144 370 HA ALA 49 HA ALA 49 2.770 -0.393 -0.734 371 1HB ALA 49 1HB ALA 49 1.115 -1.386 0.869 372 2HB ALA 49 2HB ALA 49 -0.109 -0.313 0.208 373 3HB ALA 49 3HB ALA 49 1.278 0.353 1.053 374 H THR 50 H THR 50 3.027 -2.490 -1.351 375 HA THR 50 HA THR 50 0.913 -3.824 -2.916 376 HB THR 50 HB THR 50 3.798 -3.355 -3.801 377 HG1 THR 50 HG1 THR 50 2.262 -1.697 -4.117 378 1HG2 THR 50 1HG2 THR 50 2.851 -5.701 -4.489 379 2HG2 THR 50 2HG2 THR 50 3.076 -4.654 -5.877 380 3HG2 THR 50 3HG2 THR 50 1.476 -4.878 -5.191 381 H ILE 51 H ILE 51 0.604 -5.084 -1.182 382 HA ILE 51 HA ILE 51 2.815 -6.715 -0.051 383 HB ILE 51 HB ILE 51 -0.048 -6.316 0.812 384 1HG1 ILE 51 1HG1 ILE 51 1.186 -5.378 2.864 385 2HG1 ILE 51 2HG1 ILE 51 2.627 -5.356 1.867 386 1HG2 ILE 51 1HG2 ILE 51 0.710 -8.603 1.413 387 2HG2 ILE 51 2HG2 ILE 51 0.568 -7.591 2.837 388 3HG2 ILE 51 3HG2 ILE 51 2.151 -7.922 2.155 389 1HD1 ILE 51 1HD1 ILE 51 0.102 -3.856 1.232 390 2HD1 ILE 51 2HD1 ILE 51 1.602 -3.797 0.313 391 3HD1 ILE 51 3HD1 ILE 51 1.566 -3.194 1.949 392 H VAL 52 H VAL 52 3.038 -8.843 -0.650 393 HA VAL 52 HA VAL 52 0.898 -10.076 -2.270 394 HB VAL 52 HB VAL 52 3.813 -10.918 -1.965 395 1HG1 VAL 52 1HG1 VAL 52 2.269 -12.706 -2.653 396 2HG1 VAL 52 2HG1 VAL 52 3.352 -12.268 -3.966 397 3HG1 VAL 52 3HG1 VAL 52 1.684 -11.705 -3.976 398 1HG2 VAL 52 1HG2 VAL 52 4.117 -9.883 -4.220 399 2HG2 VAL 52 2HG2 VAL 52 3.631 -8.674 -3.040 400 3HG2 VAL 52 3HG2 VAL 52 2.450 -9.314 -4.168 401 H TYR 53 H TYR 53 -0.045 -11.787 -1.453 402 HA TYR 53 HA TYR 53 1.109 -13.196 0.875 403 1HB TYR 53 1HB TYR 53 -0.987 -12.835 2.225 404 2HB TYR 53 2HB TYR 53 -0.071 -11.371 1.924 405 HD1 TYR 53 HD1 TYR 53 -3.188 -13.137 1.310 406 HD2 TYR 53 HD2 TYR 53 -0.942 -9.666 0.327 407 HE1 TYR 53 HE1 TYR 53 -5.204 -12.100 0.399 408 HE2 TYR 53 HE2 TYR 53 -2.958 -8.619 -0.572 409 HH TYR 53 HH TYR 53 -5.554 -8.930 -0.120 410 H GLN 54 H GLN 54 -0.350 -14.984 1.639 411 HA GLN 54 HA GLN 54 -0.989 -16.641 -0.635 412 1HB GLN 54 1HB GLN 54 -1.381 -17.032 2.338 413 2HB GLN 54 2HB GLN 54 -1.502 -18.320 1.144 414 1HG GLN 54 1HG GLN 54 0.766 -18.572 1.090 415 2HG GLN 54 2HG GLN 54 1.027 -16.866 0.828 416 1HE2 GLN 54 1HE2 GLN 54 -0.343 -18.664 3.666 417 2HE2 GLN 54 2HE2 GLN 54 0.739 -17.971 4.780 418 HA PRO 55 HA PRO 55 -4.605 -15.305 -1.701 419 1HB PRO 55 1HB PRO 55 -5.920 -17.730 -2.558 420 2HB PRO 55 2HB PRO 55 -4.914 -16.642 -3.497 421 1HG PRO 55 1HG PRO 55 -4.225 -19.255 -2.702 422 2HG PRO 55 2HG PRO 55 -3.121 -18.042 -3.342 423 1HD PRO 55 1HD PRO 55 -3.502 -18.911 -0.512 424 2HD PRO 55 2HD PRO 55 -2.073 -18.226 -1.294 425 H HIS 56 H HIS 56 -5.060 -16.976 1.105 426 HA HIS 56 HA HIS 56 -7.769 -15.870 1.430 427 1HB HIS 56 1HB HIS 56 -8.723 -18.120 2.102 428 2HB HIS 56 2HB HIS 56 -8.263 -18.044 0.408 429 HD1 HIS 56 HD1 HIS 56 -6.584 -19.785 -0.278 430 HD2 HIS 56 HD2 HIS 56 -6.643 -19.376 3.778 431 HE1 HIS 56 HE1 HIS 56 -5.108 -21.552 0.614 432 H LEU 57 H LEU 57 -5.029 -15.684 2.658 433 HA LEU 57 HA LEU 57 -5.485 -16.602 5.394 434 1HB LEU 57 1HB LEU 57 -3.187 -15.259 3.957 435 2HB LEU 57 2HB LEU 57 -3.200 -15.396 5.695 436 HG LEU 57 HG LEU 57 -1.905 -17.238 4.536 437 1HD1 LEU 57 1HD1 LEU 57 -2.864 -19.103 5.856 438 2HD1 LEU 57 2HD1 LEU 57 -4.346 -18.202 6.100 439 3HD1 LEU 57 3HD1 LEU 57 -2.844 -17.624 6.802 440 1HD2 LEU 57 1HD2 LEU 57 -3.128 -19.040 3.378 441 2HD2 LEU 57 2HD2 LEU 57 -3.429 -17.526 2.543 442 3HD2 LEU 57 3HD2 LEU 57 -4.641 -18.196 3.612 443 H ILE 58 H ILE 58 -5.053 -13.523 3.738 444 HA ILE 58 HA ILE 58 -6.755 -12.182 5.661 445 HB ILE 58 HB ILE 58 -4.683 -12.187 6.908 446 1HG1 ILE 58 1HG1 ILE 58 -6.061 -9.914 6.673 447 2HG1 ILE 58 2HG1 ILE 58 -4.630 -10.003 7.581 448 1HG2 ILE 58 1HG2 ILE 58 -2.551 -11.247 5.997 449 2HG2 ILE 58 2HG2 ILE 58 -3.316 -11.063 4.428 450 3HG2 ILE 58 3HG2 ILE 58 -3.090 -12.662 5.113 451 1HD1 ILE 58 1HD1 ILE 58 -3.267 -9.059 5.786 452 2HD1 ILE 58 2HD1 ILE 58 -4.616 -7.996 6.124 453 3HD1 ILE 58 3HD1 ILE 58 -4.631 -9.026 4.703 454 H SER 59 H SER 59 -6.979 -9.869 5.189 455 HA SER 59 HA SER 59 -6.776 -9.291 2.245 456 1HB SER 59 1HB SER 59 -8.860 -7.936 2.565 457 2HB SER 59 2HB SER 59 -9.113 -9.655 2.916 458 HG SER 59 HG SER 59 -8.450 -8.970 5.157 459 H VAL 60 H VAL 60 -5.202 -8.028 2.004 460 HA VAL 60 HA VAL 60 -4.263 -6.091 3.884 461 HB VAL 60 HB VAL 60 -3.698 -6.485 0.911 462 1HG1 VAL 60 1HG1 VAL 60 -1.655 -5.117 1.300 463 2HG1 VAL 60 2HG1 VAL 60 -2.129 -4.841 2.968 464 3HG1 VAL 60 3HG1 VAL 60 -3.073 -4.165 1.650 465 1HG2 VAL 60 1HG2 VAL 60 -2.130 -7.333 3.393 466 2HG2 VAL 60 2HG2 VAL 60 -1.643 -7.620 1.730 467 3HG2 VAL 60 3HG2 VAL 60 -3.070 -8.408 2.372 468 H GLU 61 H GLU 61 -6.527 -6.115 1.332 469 HA GLU 61 HA GLU 61 -6.731 -3.355 0.748 470 1HB GLU 61 1HB GLU 61 -7.708 -5.294 -0.565 471 2HB GLU 61 2HB GLU 61 -8.932 -5.467 0.681 472 1HG GLU 61 1HG GLU 61 -9.734 -3.186 0.253 473 2HG GLU 61 2HG GLU 61 -8.441 -2.929 -0.916 474 H GLU 62 H GLU 62 -7.906 -5.262 3.401 475 HA GLU 62 HA GLU 62 -9.880 -3.417 4.368 476 1HB GLU 62 1HB GLU 62 -9.725 -5.835 4.979 477 2HB GLU 62 2HB GLU 62 -8.224 -5.528 5.805 478 1HG GLU 62 1HG GLU 62 -10.177 -5.602 7.405 479 2HG GLU 62 2HG GLU 62 -9.273 -4.105 7.480 480 H MET 63 H MET 63 -6.498 -4.012 4.938 481 HA MET 63 HA MET 63 -6.030 -2.138 6.997 482 1HB MET 63 1HB MET 63 -4.138 -3.024 4.864 483 2HB MET 63 2HB MET 63 -3.669 -2.253 6.356 484 1HG MET 63 1HG MET 63 -5.068 -4.936 6.119 485 2HG MET 63 2HG MET 63 -3.395 -4.683 6.499 486 1HE MET 63 1HE MET 63 -7.072 -3.670 8.131 487 2HE MET 63 2HE MET 63 -6.855 -5.000 9.266 488 3HE MET 63 3HE MET 63 -6.753 -5.320 7.556 489 H LYS 64 H LYS 64 -6.229 -1.841 3.525 490 HA LYS 64 HA LYS 64 -5.144 0.817 3.282 491 1HB LYS 64 1HB LYS 64 -7.268 -0.464 1.513 492 2HB LYS 64 2HB LYS 64 -6.237 0.878 1.090 493 1HG LYS 64 1HG LYS 64 -5.285 -1.956 1.625 494 2HG LYS 64 2HG LYS 64 -5.493 -1.232 0.057 495 1HD LYS 64 1HD LYS 64 -3.232 -0.838 0.282 496 2HD LYS 64 2HD LYS 64 -3.794 0.605 1.096 497 1HE LYS 64 1HE LYS 64 -3.571 -0.610 3.311 498 2HE LYS 64 2HE LYS 64 -2.983 -2.009 2.438 499 1HZ LYS 64 1HZ LYS 64 -0.986 -1.148 2.384 500 2HZ LYS 64 2HZ LYS 64 -1.526 0.156 3.326 501 3HZ LYS 64 3HZ LYS 64 -1.545 0.267 1.632 502 H LYS 65 H LYS 65 -8.360 -0.436 4.014 503 HA LYS 65 HA LYS 65 -9.760 2.000 3.738 504 1HB LYS 65 1HB LYS 65 -10.797 -0.272 3.902 505 2HB LYS 65 2HB LYS 65 -10.282 -0.364 5.573 506 1HG LYS 65 1HG LYS 65 -11.696 1.598 6.129 507 2HG LYS 65 2HG LYS 65 -12.199 1.708 4.446 508 1HD LYS 65 1HD LYS 65 -13.182 -0.594 4.623 509 2HD LYS 65 2HD LYS 65 -12.697 -0.652 6.311 510 1HE LYS 65 1HE LYS 65 -14.119 1.319 6.806 511 2HE LYS 65 2HE LYS 65 -14.609 1.395 5.118 512 1HZ LYS 65 1HZ LYS 65 -15.563 -0.795 5.317 513 2HZ LYS 65 2HZ LYS 65 -16.228 0.255 6.474 514 3HZ LYS 65 3HZ LYS 65 -15.068 -0.895 6.938 515 H GLN 66 H GLN 66 -7.894 0.662 6.369 516 HA GLN 66 HA GLN 66 -8.698 2.530 8.342 517 1HB GLN 66 1HB GLN 66 -6.006 1.105 8.192 518 2HB GLN 66 2HB GLN 66 -6.907 1.536 9.631 519 1HG GLN 66 1HG GLN 66 -7.657 -0.617 7.611 520 2HG GLN 66 2HG GLN 66 -7.112 -0.875 9.235 521 1HE2 GLN 66 1HE2 GLN 66 -8.594 0.282 10.969 522 2HE2 GLN 66 2HE2 GLN 66 -10.266 0.179 10.690 523 H ILE 67 H ILE 67 -6.170 2.400 5.961 524 HA ILE 67 HA ILE 67 -4.725 4.752 6.743 525 HB ILE 67 HB ILE 67 -5.016 3.233 4.153 526 1HG1 ILE 67 1HG1 ILE 67 -2.874 3.246 6.314 527 2HG1 ILE 67 2HG1 ILE 67 -4.083 2.011 6.162 528 1HG2 ILE 67 1HG2 ILE 67 -2.976 5.385 4.879 529 2HG2 ILE 67 2HG2 ILE 67 -4.201 5.447 3.612 530 3HG2 ILE 67 3HG2 ILE 67 -2.857 4.351 3.471 531 1HD1 ILE 67 1HD1 ILE 67 -1.918 2.599 4.091 532 2HD1 ILE 67 2HD1 ILE 67 -3.211 1.434 3.884 533 3HD1 ILE 67 3HD1 ILE 67 -2.018 1.204 5.144 534 H GLU 68 H GLU 68 -7.506 4.074 4.892 535 HA GLU 68 HA GLU 68 -7.798 6.798 3.795 536 1HB GLU 68 1HB GLU 68 -9.510 4.318 3.703 537 2HB GLU 68 2HB GLU 68 -9.933 5.825 2.912 538 1HG GLU 68 1HG GLU 68 -7.933 5.713 1.515 539 2HG GLU 68 2HG GLU 68 -7.298 4.344 2.385 540 H ALA 69 H ALA 69 -8.788 5.014 6.527 541 HA ALA 69 HA ALA 69 -11.059 6.711 7.199 542 1HB ALA 69 1HB ALA 69 -10.934 4.358 7.948 543 2HB ALA 69 2HB ALA 69 -11.027 5.448 9.327 544 3HB ALA 69 3HB ALA 69 -9.487 4.730 8.877 545 H MET 70 H MET 70 -7.660 6.457 8.057 546 HA MET 70 HA MET 70 -7.737 8.429 10.099 547 1HB MET 70 1HB MET 70 -5.304 8.093 10.076 548 2HB MET 70 2HB MET 70 -6.158 6.569 10.095 549 1HG MET 70 1HG MET 70 -4.460 6.262 8.552 550 2HG MET 70 2HG MET 70 -5.888 6.514 7.612 551 1HE MET 70 1HE MET 70 -2.581 7.334 8.614 552 2HE MET 70 2HE MET 70 -2.032 8.706 7.698 553 3HE MET 70 3HE MET 70 -2.241 7.143 6.889 554 H GLY 71 H GLY 71 -7.734 8.598 6.719 555 1HA GLY 71 1HA GLY 71 -8.172 11.020 6.060 556 2HA GLY 71 2HA GLY 71 -6.619 11.366 6.784 557 H PHE 72 H PHE 72 -6.029 8.554 5.174 558 HA PHE 72 HA PHE 72 -5.141 10.093 2.770 559 1HB PHE 72 1HB PHE 72 -4.104 7.371 3.642 560 2HB PHE 72 2HB PHE 72 -3.567 8.369 2.337 561 HD1 PHE 72 HD1 PHE 72 -3.977 10.806 4.774 562 HD2 PHE 72 HD2 PHE 72 -1.564 7.400 3.894 563 HE1 PHE 72 HE1 PHE 72 -2.200 11.687 6.168 564 HE2 PHE 72 HE2 PHE 72 0.223 8.297 5.289 565 HZ PHE 72 HZ PHE 72 -0.084 10.452 6.441 566 HA PRO 73 HA PRO 73 -8.479 7.566 0.695 567 1HB PRO 73 1HB PRO 73 -7.716 9.337 -1.512 568 2HB PRO 73 2HB PRO 73 -9.299 9.020 -0.818 569 1HG PRO 73 1HG PRO 73 -7.691 11.341 -0.399 570 2HG PRO 73 2HG PRO 73 -9.193 10.945 0.420 571 1HD PRO 73 1HD PRO 73 -6.546 10.958 1.557 572 2HD PRO 73 2HD PRO 73 -8.052 10.500 2.366 573 H ALA 74 H ALA 74 -7.992 5.873 -0.532 574 HA ALA 74 HA ALA 74 -5.259 5.689 -1.718 575 1HB ALA 74 1HB ALA 74 -5.203 3.292 -0.992 576 2HB ALA 74 2HB ALA 74 -6.775 3.486 -0.251 577 3HB ALA 74 3HB ALA 74 -5.396 4.369 0.377 578 H PHE 75 H PHE 75 -5.167 5.254 -3.717 579 HA PHE 75 HA PHE 75 -7.564 4.538 -5.241 580 1HB PHE 75 1HB PHE 75 -4.733 5.038 -6.297 581 2HB PHE 75 2HB PHE 75 -6.214 5.042 -7.222 582 HD1 PHE 75 HD1 PHE 75 -7.604 6.999 -7.303 583 HD2 PHE 75 HD2 PHE 75 -4.365 6.830 -4.535 584 HE1 PHE 75 HE1 PHE 75 -7.883 9.387 -6.821 585 HE2 PHE 75 HE2 PHE 75 -4.650 9.215 -4.055 586 HZ PHE 75 HZ PHE 75 -6.409 10.501 -5.198 587 H VAL 76 H VAL 76 -7.938 2.465 -4.624 588 HA VAL 76 HA VAL 76 -6.061 0.320 -4.513 589 HB VAL 76 HB VAL 76 -9.092 0.320 -4.956 590 1HG1 VAL 76 1HG1 VAL 76 -8.109 -1.888 -5.510 591 2HG1 VAL 76 2HG1 VAL 76 -9.045 -1.974 -4.033 592 3HG1 VAL 76 3HG1 VAL 76 -7.292 -1.920 -3.951 593 1HG2 VAL 76 1HG2 VAL 76 -9.190 -0.033 -2.488 594 2HG2 VAL 76 2HG2 VAL 76 -8.388 1.480 -2.862 595 3HG2 VAL 76 3HG2 VAL 76 -7.439 0.076 -2.397 596 H LYS 77 H LYS 77 -5.646 -1.338 -5.980 597 HA LYS 77 HA LYS 77 -4.869 -0.919 -8.504 598 1HB LYS 77 1HB LYS 77 -5.392 -3.388 -8.996 599 2HB LYS 77 2HB LYS 77 -4.412 -3.069 -7.600 600 1HG LYS 77 1HG LYS 77 -7.371 -3.232 -7.091 601 2HG LYS 77 2HG LYS 77 -6.592 -4.717 -7.591 602 1HD LYS 77 1HD LYS 77 -5.024 -4.527 -5.683 603 2HD LYS 77 2HD LYS 77 -5.719 -2.982 -5.230 604 1HE LYS 77 1HE LYS 77 -6.707 -4.805 -3.864 605 2HE LYS 77 2HE LYS 77 -7.936 -4.083 -4.885 606 1HZ LYS 77 1HZ LYS 77 -7.690 -6.629 -4.762 607 2HZ LYS 77 2HZ LYS 77 -6.458 -6.385 -5.905 608 3HZ LYS 77 3HZ LYS 77 -8.041 -5.870 -6.240 609 H LYS 78 H LYS 78 -7.689 -2.986 -8.752 610 HA LYS 78 HA LYS 78 -9.464 -3.047 -10.192 611 1HB LYS 78 1HB LYS 78 -10.177 -1.113 -8.806 612 2HB LYS 78 2HB LYS 78 -9.292 -0.022 -9.851 613 1HG LYS 78 1HG LYS 78 -10.764 -0.531 -11.745 614 2HG LYS 78 2HG LYS 78 -11.552 -1.805 -10.842 615 1HD LYS 78 1HD LYS 78 -12.996 0.156 -10.874 616 2HD LYS 78 2HD LYS 78 -12.441 -0.105 -9.238 617 1HE LYS 78 1HE LYS 78 -11.148 1.902 -11.137 618 2HE LYS 78 2HE LYS 78 -12.403 2.320 -9.986 619 1HZ LYS 78 1HZ LYS 78 -10.727 2.701 -8.619 620 2HZ LYS 78 2HZ LYS 78 -9.616 1.823 -9.554 621 3HZ LYS 78 3HZ LYS 78 -10.622 1.014 -8.451 622 H GLN 79 H GLN 79 -8.236 0.005 -11.456 623 HA GLN 79 HA GLN 79 -7.499 -1.331 -14.016 624 1HB GLN 79 1HB GLN 79 -8.556 0.581 -15.222 625 2HB GLN 79 2HB GLN 79 -9.724 -0.270 -14.231 626 1HG GLN 79 1HG GLN 79 -9.405 1.466 -12.419 627 2HG GLN 79 2HG GLN 79 -8.301 2.330 -13.478 628 1HE2 GLN 79 1HE2 GLN 79 -11.685 1.281 -13.147 629 2HE2 GLN 79 2HE2 GLN 79 -12.320 2.432 -14.222 630 HA PRO 80 HA PRO 80 -3.964 1.534 -13.966 631 1HB PRO 80 1HB PRO 80 -4.024 2.049 -16.789 632 2HB PRO 80 2HB PRO 80 -2.957 0.956 -15.926 633 1HG PRO 80 1HG PRO 80 -5.177 0.282 -17.653 634 2HG PRO 80 2HG PRO 80 -4.043 -0.807 -16.870 635 1HD PRO 80 1HD PRO 80 -6.810 -0.333 -16.167 636 2HD PRO 80 2HD PRO 80 -5.671 -1.441 -15.383 637 H LYS 81 H LYS 81 -3.890 3.708 -13.740 638 HA LYS 81 HA LYS 81 -6.151 5.360 -14.803 639 1HB LYS 81 1HB LYS 81 -4.891 5.547 -12.029 640 2HB LYS 81 2HB LYS 81 -6.174 6.575 -12.647 641 1HG LYS 81 1HG LYS 81 -7.669 4.610 -12.888 642 2HG LYS 81 2HG LYS 81 -6.389 3.542 -12.342 643 1HD LYS 81 1HD LYS 81 -6.341 4.768 -10.144 644 2HD LYS 81 2HD LYS 81 -7.711 5.723 -10.690 645 1HE LYS 81 1HE LYS 81 -9.079 3.684 -10.948 646 2HE LYS 81 2HE LYS 81 -7.714 2.685 -10.465 647 1HZ LYS 81 1HZ LYS 81 -9.582 3.976 -8.848 648 2HZ LYS 81 2HZ LYS 81 -8.059 4.657 -8.528 649 3HZ LYS 81 3HZ LYS 81 -8.288 2.979 -8.385 650 H TYR 82 H TYR 82 -5.652 7.387 -15.447 651 HA TYR 82 HA TYR 82 -3.073 7.924 -16.472 652 1HB TYR 82 1HB TYR 82 -5.091 8.965 -17.402 653 2HB TYR 82 2HB TYR 82 -5.398 9.818 -15.899 654 HD1 TYR 82 HD1 TYR 82 -2.876 9.480 -18.646 655 HD2 TYR 82 HD2 TYR 82 -4.392 11.941 -15.516 656 HE1 TYR 82 HE1 TYR 82 -1.456 11.325 -19.403 657 HE2 TYR 82 HE2 TYR 82 -2.971 13.782 -16.277 658 HH TYR 82 HH TYR 82 -0.435 13.567 -17.976 659 H LEU 83 H LEU 83 -4.684 9.588 -13.779 660 HA LEU 83 HA LEU 83 -2.185 9.749 -12.261 661 1HB LEU 83 1HB LEU 83 -2.068 11.704 -13.876 662 2HB LEU 83 2HB LEU 83 -3.598 12.283 -13.259 663 HG LEU 83 HG LEU 83 -2.521 12.513 -10.962 664 1HD1 LEU 83 1HD1 LEU 83 0.045 11.914 -12.500 665 2HD1 LEU 83 2HD1 LEU 83 -0.660 10.874 -11.273 666 3HD1 LEU 83 3HD1 LEU 83 -0.045 12.453 -10.833 667 1HD2 LEU 83 1HD2 LEU 83 -2.718 14.455 -12.486 668 2HD2 LEU 83 2HD2 LEU 83 -1.181 14.043 -13.230 669 3HD2 LEU 83 3HD2 LEU 83 -1.237 14.549 -11.549 670 H LYS 84 H LYS 84 -3.638 8.389 -11.069 671 HA LYS 84 HA LYS 84 -5.352 9.949 -9.197 672 1HB LYS 84 1HB LYS 84 -6.173 7.326 -10.531 673 2HB LYS 84 2HB LYS 84 -7.104 8.171 -9.309 674 1HG LYS 84 1HG LYS 84 -7.240 10.158 -10.851 675 2HG LYS 84 2HG LYS 84 -6.407 9.226 -12.084 676 1HD LYS 84 1HD LYS 84 -8.225 7.526 -12.046 677 2HD LYS 84 2HD LYS 84 -9.079 8.472 -10.838 678 1HE LYS 84 1HE LYS 84 -8.365 9.425 -13.649 679 2HE LYS 84 2HE LYS 84 -9.966 8.944 -13.105 680 1HZ LYS 84 1HZ LYS 84 -9.865 11.273 -13.007 681 2HZ LYS 84 2HZ LYS 84 -8.375 11.260 -12.192 682 3HZ LYS 84 3HZ LYS 84 -9.780 10.727 -11.400 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -8.318 -22.741 -16.422 2 2H GLY 1 2H GLY 1 -8.270 -22.264 -14.792 3 3H GLY 1 3H GLY 1 -9.053 -21.286 -15.940 4 1HA GLY 1 1HA GLY 1 -10.774 -22.368 -14.822 5 2HA GLY 1 2HA GLY 1 -10.586 -23.225 -16.354 6 H SER 2 H SER 2 -8.666 -23.294 -13.397 7 HA SER 2 HA SER 2 -9.541 -25.983 -12.647 8 1HB SER 2 1HB SER 2 -7.856 -26.522 -14.431 9 2HB SER 2 2HB SER 2 -6.647 -25.539 -13.591 10 HG SER 2 HG SER 2 -8.086 -27.689 -12.429 11 H MET 3 H MET 3 -6.937 -23.638 -12.287 12 HA MET 3 HA MET 3 -5.873 -22.711 -10.446 13 1HB MET 3 1HB MET 3 -8.641 -23.140 -9.208 14 2HB MET 3 2HB MET 3 -7.399 -22.103 -8.537 15 1HG MET 3 1HG MET 3 -7.389 -20.775 -10.641 16 2HG MET 3 2HG MET 3 -8.663 -21.783 -11.270 17 1HE MET 3 1HE MET 3 -7.565 -19.682 -8.384 18 2HE MET 3 2HE MET 3 -8.928 -18.685 -7.961 19 3HE MET 3 3HE MET 3 -8.032 -18.341 -9.447 20 H ALA 4 H ALA 4 -6.013 -25.718 -10.712 21 HA ALA 4 HA ALA 4 -6.050 -26.975 -8.170 22 1HB ALA 4 1HB ALA 4 -6.051 -28.223 -10.310 23 2HB ALA 4 2HB ALA 4 -4.725 -28.768 -9.294 24 3HB ALA 4 3HB ALA 4 -4.412 -27.683 -10.642 25 H GLN 5 H GLN 5 -3.459 -25.416 -9.942 26 HA GLN 5 HA GLN 5 -1.420 -25.975 -7.940 27 1HB GLN 5 1HB GLN 5 -0.803 -25.733 -10.312 28 2HB GLN 5 2HB GLN 5 -1.479 -24.119 -10.361 29 1HG GLN 5 1HG GLN 5 1.014 -24.085 -10.165 30 2HG GLN 5 2HG GLN 5 0.257 -23.302 -8.792 31 1HE2 GLN 5 1HE2 GLN 5 1.530 -26.516 -9.796 32 2HE2 GLN 5 2HE2 GLN 5 2.092 -26.945 -8.252 33 H ALA 6 H ALA 6 -0.830 -24.748 -6.278 34 HA ALA 6 HA ALA 6 -2.524 -22.581 -5.368 35 1HB ALA 6 1HB ALA 6 -0.935 -22.497 -3.451 36 2HB ALA 6 2HB ALA 6 0.155 -23.575 -4.310 37 3HB ALA 6 3HB ALA 6 -1.423 -24.148 -3.793 38 H GLY 7 H GLY 7 -1.934 -20.415 -5.036 39 1HA GLY 7 1HA GLY 7 0.549 -19.368 -6.241 40 2HA GLY 7 2HA GLY 7 -0.952 -18.885 -7.026 41 H GLU 8 H GLU 8 -0.097 -16.780 -6.450 42 HA GLU 8 HA GLU 8 -1.130 -15.845 -3.818 43 1HB GLU 8 1HB GLU 8 0.886 -14.399 -3.555 44 2HB GLU 8 2HB GLU 8 1.287 -16.108 -3.550 45 1HG GLU 8 1HG GLU 8 2.028 -16.006 -5.890 46 2HG GLU 8 2HG GLU 8 1.484 -14.345 -6.034 47 H VAL 9 H VAL 9 -0.956 -13.417 -3.800 48 HA VAL 9 HA VAL 9 -1.871 -12.232 -6.381 49 HB VAL 9 HB VAL 9 -3.566 -10.922 -4.961 50 1HG1 VAL 9 1HG1 VAL 9 -3.856 -13.956 -5.092 51 2HG1 VAL 9 2HG1 VAL 9 -4.220 -12.837 -6.393 52 3HG1 VAL 9 3HG1 VAL 9 -5.178 -12.810 -4.925 53 1HG2 VAL 9 1HG2 VAL 9 -2.924 -13.110 -2.907 54 2HG2 VAL 9 2HG2 VAL 9 -4.186 -11.913 -2.761 55 3HG2 VAL 9 3HG2 VAL 9 -2.505 -11.420 -2.702 56 H VAL 10 H VAL 10 -1.417 -10.141 -6.732 57 HA VAL 10 HA VAL 10 0.346 -8.698 -4.798 58 HB VAL 10 HB VAL 10 1.693 -7.939 -6.832 59 1HG1 VAL 10 1HG1 VAL 10 2.916 -10.089 -7.077 60 2HG1 VAL 10 2HG1 VAL 10 1.554 -10.960 -6.390 61 3HG1 VAL 10 3HG1 VAL 10 2.457 -9.825 -5.406 62 1HG2 VAL 10 1HG2 VAL 10 0.124 -10.131 -8.288 63 2HG2 VAL 10 2HG2 VAL 10 1.509 -9.269 -8.928 64 3HG2 VAL 10 3HG2 VAL 10 0.009 -8.421 -8.658 65 H LEU 11 H LEU 11 -1.107 -7.231 -4.105 66 HA LEU 11 HA LEU 11 -2.602 -5.600 -6.105 67 1HB LEU 11 1HB LEU 11 -2.982 -5.932 -3.111 68 2HB LEU 11 2HB LEU 11 -3.926 -4.859 -4.120 69 HG LEU 11 HG LEU 11 -4.694 -6.874 -5.456 70 1HD1 LEU 11 1HD1 LEU 11 -2.966 -8.538 -4.916 71 2HD1 LEU 11 2HD1 LEU 11 -4.539 -9.093 -4.411 72 3HD1 LEU 11 3HD1 LEU 11 -3.412 -8.468 -3.222 73 1HD2 LEU 11 1HD2 LEU 11 -5.304 -6.848 -2.478 74 2HD2 LEU 11 2HD2 LEU 11 -6.314 -7.590 -3.714 75 3HD2 LEU 11 3HD2 LEU 11 -6.081 -5.848 -3.698 76 H LYS 12 H LYS 12 -1.789 -3.696 -6.603 77 HA LYS 12 HA LYS 12 0.091 -2.304 -4.748 78 1HB LYS 12 1HB LYS 12 -0.512 -1.734 -7.714 79 2HB LYS 12 2HB LYS 12 0.671 -0.908 -6.744 80 1HG LYS 12 1HG LYS 12 1.819 -2.472 -8.161 81 2HG LYS 12 2HG LYS 12 1.986 -2.989 -6.511 82 1HD LYS 12 1HD LYS 12 1.577 -4.897 -8.008 83 2HD LYS 12 2HD LYS 12 0.257 -4.766 -6.883 84 1HE LYS 12 1HE LYS 12 -1.079 -3.565 -8.658 85 2HE LYS 12 2HE LYS 12 0.281 -3.726 -9.760 86 1HZ LYS 12 1HZ LYS 12 -0.814 -5.567 -10.336 87 2HZ LYS 12 2HZ LYS 12 -1.626 -5.700 -8.851 88 3HZ LYS 12 3HZ LYS 12 -0.022 -6.239 -8.991 89 H MET 13 H MET 13 -1.354 -1.460 -3.314 90 HA MET 13 HA MET 13 -3.549 0.257 -4.255 91 1HB MET 13 1HB MET 13 -2.364 -0.253 -1.534 92 2HB MET 13 2HB MET 13 -3.795 0.725 -1.796 93 1HG MET 13 1HG MET 13 -4.630 -1.406 -1.202 94 2HG MET 13 2HG MET 13 -4.855 -1.276 -2.923 95 1HE MET 13 1HE MET 13 -4.076 -4.949 -1.254 96 2HE MET 13 2HE MET 13 -5.400 -4.166 -2.118 97 3HE MET 13 3HE MET 13 -4.803 -3.511 -0.581 98 H LYS 14 H LYS 14 -3.447 2.419 -4.300 99 HA LYS 14 HA LYS 14 -0.759 3.683 -3.903 100 1HB LYS 14 1HB LYS 14 -1.596 3.633 -6.187 101 2HB LYS 14 2HB LYS 14 -2.998 4.533 -5.656 102 1HG LYS 14 1HG LYS 14 -1.456 6.412 -4.898 103 2HG LYS 14 2HG LYS 14 -0.115 5.505 -5.565 104 1HD LYS 14 1HD LYS 14 -2.528 6.429 -7.189 105 2HD LYS 14 2HD LYS 14 -1.025 7.320 -7.085 106 1HE LYS 14 1HE LYS 14 -1.251 4.471 -8.162 107 2HE LYS 14 2HE LYS 14 -1.127 5.920 -9.144 108 1HZ LYS 14 1HZ LYS 14 0.991 6.403 -8.062 109 2HZ LYS 14 2HZ LYS 14 1.007 4.915 -8.883 110 3HZ LYS 14 3HZ LYS 14 0.874 4.949 -7.193 111 H VAL 15 H VAL 15 -0.858 4.346 -1.797 112 HA VAL 15 HA VAL 15 -3.022 5.645 -0.550 113 HB VAL 15 HB VAL 15 -0.125 5.134 -0.027 114 1HG1 VAL 15 1HG1 VAL 15 -0.027 6.501 2.003 115 2HG1 VAL 15 2HG1 VAL 15 -1.593 7.214 1.624 116 3HG1 VAL 15 3HG1 VAL 15 -0.197 7.532 0.593 117 1HG2 VAL 15 1HG2 VAL 15 -1.920 3.669 0.833 118 2HG2 VAL 15 2HG2 VAL 15 -2.577 5.036 1.737 119 3HG2 VAL 15 3HG2 VAL 15 -0.988 4.400 2.135 120 H GLU 16 H GLU 16 -3.159 7.703 0.301 121 HA GLU 16 HA GLU 16 -2.757 9.809 -1.711 122 1HB GLU 16 1HB GLU 16 -4.891 9.678 -0.399 123 2HB GLU 16 2HB GLU 16 -3.987 9.851 1.093 124 1HG GLU 16 1HG GLU 16 -3.139 12.097 0.192 125 2HG GLU 16 2HG GLU 16 -4.259 11.902 -1.143 126 H GLY 17 H GLY 17 -0.711 10.590 -1.758 127 1HA GLY 17 1HA GLY 17 1.222 10.364 0.279 128 2HA GLY 17 2HA GLY 17 1.345 11.454 -1.086 129 H MET 18 H MET 18 -1.388 12.410 0.240 130 HA MET 18 HA MET 18 -2.115 14.169 1.544 131 1HB MET 18 1HB MET 18 -0.858 12.582 3.281 132 2HB MET 18 2HB MET 18 0.369 13.830 3.298 133 1HG MET 18 1HG MET 18 -1.211 14.184 5.111 134 2HG MET 18 2HG MET 18 -1.332 15.502 3.992 135 1HE MET 18 1HE MET 18 -3.151 11.867 4.414 136 2HE MET 18 2HE MET 18 -4.484 12.587 5.315 137 3HE MET 18 3HE MET 18 -2.856 12.805 5.896 138 H THR 19 H THR 19 -0.044 15.966 2.948 139 HA THR 19 HA THR 19 1.719 17.048 0.980 140 HB THR 19 HB THR 19 -0.341 17.811 -0.208 141 HG1 THR 19 HG1 THR 19 1.528 19.227 0.256 142 1HG2 THR 19 1HG2 THR 19 -1.981 19.286 0.886 143 2HG2 THR 19 2HG2 THR 19 -1.092 19.256 2.397 144 3HG2 THR 19 3HG2 THR 19 -1.907 17.808 1.827 145 H CYS 20 H CYS 20 -0.321 17.710 3.770 146 HA CYS 20 HA CYS 20 1.391 19.759 4.853 147 1HB CYS 20 1HB CYS 20 -0.080 19.572 6.836 148 2HB CYS 20 2HB CYS 20 -0.968 19.770 5.353 149 H HIS 21 H HIS 21 0.563 16.525 6.046 150 HA HIS 21 HA HIS 21 3.358 15.977 6.816 151 1HB HIS 21 1HB HIS 21 1.077 15.964 8.867 152 2HB HIS 21 2HB HIS 21 2.727 15.438 9.178 153 HD1 HIS 21 HD1 HIS 21 4.530 17.442 8.883 154 HD2 HIS 21 HD2 HIS 21 0.650 18.671 9.210 155 HE1 HIS 21 HE1 HIS 21 4.606 19.844 9.439 156 H SER 22 H SER 22 3.722 14.004 6.092 157 HA SER 22 HA SER 22 1.468 12.124 5.681 158 1HB SER 22 1HB SER 22 3.183 10.848 4.307 159 2HB SER 22 2HB SER 22 2.883 12.491 3.731 160 HG SER 22 HG SER 22 5.040 11.477 5.225 161 H CYS 23 H CYS 23 1.047 11.117 7.538 162 HA CYS 23 HA CYS 23 3.139 10.044 9.298 163 1HB CYS 23 1HB CYS 23 0.115 9.797 9.398 164 2HB CYS 23 2HB CYS 23 1.209 9.347 10.680 165 H THR 24 H THR 24 3.108 9.021 6.650 166 HA THR 24 HA THR 24 1.833 6.454 6.495 167 HB THR 24 HB THR 24 3.400 6.128 4.512 168 HG1 THR 24 HG1 THR 24 4.304 8.634 5.505 169 1HG2 THR 24 1HG2 THR 24 2.608 8.099 3.183 170 2HG2 THR 24 2HG2 THR 24 2.202 8.964 4.654 171 3HG2 THR 24 3HG2 THR 24 1.281 7.547 4.187 172 H SER 25 H SER 25 4.261 7.363 8.509 173 HA SER 25 HA SER 25 6.127 5.177 8.297 174 1HB SER 25 1HB SER 25 5.368 6.902 10.724 175 2HB SER 25 2HB SER 25 6.825 5.898 10.601 176 HG SER 25 HG SER 25 6.051 7.969 8.825 177 H THR 26 H THR 26 3.063 5.655 9.819 178 HA THR 26 HA THR 26 2.987 3.379 11.531 179 HB THR 26 HB THR 26 0.456 3.782 11.482 180 HG1 THR 26 HG1 THR 26 -0.170 5.447 10.034 181 1HG2 THR 26 1HG2 THR 26 1.928 5.399 12.842 182 2HG2 THR 26 2HG2 THR 26 0.484 6.159 12.193 183 3HG2 THR 26 3HG2 THR 26 2.037 6.422 11.419 184 H ILE 27 H ILE 27 2.147 3.884 8.192 185 HA ILE 27 HA ILE 27 0.779 1.528 7.534 186 HB ILE 27 HB ILE 27 2.726 3.198 5.877 187 1HG1 ILE 27 1HG1 ILE 27 -0.314 3.261 6.157 188 2HG1 ILE 27 2HG1 ILE 27 0.773 4.429 6.866 189 1HG2 ILE 27 1HG2 ILE 27 0.688 1.201 4.869 190 2HG2 ILE 27 2HG2 ILE 27 2.434 1.028 4.788 191 3HG2 ILE 27 3HG2 ILE 27 1.645 2.286 3.871 192 1HD1 ILE 27 1HD1 ILE 27 -0.189 5.341 4.811 193 2HD1 ILE 27 2HD1 ILE 27 0.396 3.975 3.880 194 3HD1 ILE 27 3HD1 ILE 27 1.533 5.096 4.609 195 H GLU 28 H GLU 28 4.220 2.042 7.983 196 HA GLU 28 HA GLU 28 5.208 -0.292 6.819 197 1HB GLU 28 1HB GLU 28 6.391 1.833 7.706 198 2HB GLU 28 2HB GLU 28 6.326 1.105 9.284 199 1HG GLU 28 1HG GLU 28 7.633 -0.137 6.859 200 2HG GLU 28 2HG GLU 28 8.468 0.679 8.174 201 H GLY 29 H GLY 29 4.967 0.268 10.284 202 1HA GLY 29 1HA GLY 29 5.078 -2.516 11.008 203 2HA GLY 29 2HA GLY 29 4.696 -1.189 12.091 204 H LYS 30 H LYS 30 2.486 -0.633 9.921 205 HA LYS 30 HA LYS 30 0.379 -2.068 11.387 206 1HB LYS 30 1HB LYS 30 0.040 0.294 10.716 207 2HB LYS 30 2HB LYS 30 0.242 -0.128 9.026 208 1HG LYS 30 1HG LYS 30 -1.788 -1.756 9.409 209 2HG LYS 30 2HG LYS 30 -2.027 -0.884 10.905 210 1HD LYS 30 1HD LYS 30 -1.963 0.392 8.138 211 2HD LYS 30 2HD LYS 30 -3.417 -0.023 9.016 212 1HE LYS 30 1HE LYS 30 -2.744 1.565 10.841 213 2HE LYS 30 2HE LYS 30 -1.322 2.009 9.903 214 1HZ LYS 30 1HZ LYS 30 -3.558 3.334 9.742 215 2HZ LYS 30 2HZ LYS 30 -3.911 2.156 8.570 216 3HZ LYS 30 3HZ LYS 30 -2.535 3.137 8.401 217 H ILE 31 H ILE 31 1.245 -1.655 8.034 218 HA ILE 31 HA ILE 31 -0.189 -3.997 7.138 219 HB ILE 31 HB ILE 31 1.709 -2.200 5.584 220 1HG1 ILE 31 1HG1 ILE 31 0.054 -0.717 6.600 221 2HG1 ILE 31 2HG1 ILE 31 -0.330 -0.934 4.910 222 1HG2 ILE 31 1HG2 ILE 31 1.093 -4.201 4.351 223 2HG2 ILE 31 2HG2 ILE 31 0.280 -2.817 3.655 224 3HG2 ILE 31 3HG2 ILE 31 -0.612 -3.934 4.674 225 1HD1 ILE 31 1HD1 ILE 31 -2.360 -1.043 6.309 226 2HD1 ILE 31 2HD1 ILE 31 -1.706 -2.392 7.212 227 3HD1 ILE 31 3HD1 ILE 31 -2.105 -2.584 5.514 228 H GLY 32 H GLY 32 2.760 -3.706 8.581 229 1HA GLY 32 1HA GLY 32 4.020 -5.851 7.034 230 2HA GLY 32 2HA GLY 32 4.847 -4.814 8.170 231 H LYS 33 H LYS 33 2.379 -5.325 9.957 232 HA LYS 33 HA LYS 33 3.464 -7.629 11.390 233 1HB LYS 33 1HB LYS 33 3.128 -5.359 12.312 234 2HB LYS 33 2HB LYS 33 1.416 -5.770 12.389 235 1HG LYS 33 1HG LYS 33 2.013 -7.847 13.692 236 2HG LYS 33 2HG LYS 33 3.707 -7.416 13.583 237 1HD LYS 33 1HD LYS 33 1.566 -5.739 14.826 238 2HD LYS 33 2HD LYS 33 2.625 -6.851 15.702 239 1HE LYS 33 1HE LYS 33 4.616 -5.514 14.948 240 2HE LYS 33 2HE LYS 33 3.543 -4.382 14.135 241 1HZ LYS 33 1HZ LYS 33 2.612 -3.714 16.155 242 2HZ LYS 33 2HZ LYS 33 4.294 -3.718 16.385 243 3HZ LYS 33 3HZ LYS 33 3.348 -4.978 17.016 244 H LEU 34 H LEU 34 1.231 -7.351 9.010 245 HA LEU 34 HA LEU 34 -0.954 -8.703 10.243 246 1HB LEU 34 1HB LEU 34 -1.666 -8.707 7.685 247 2HB LEU 34 2HB LEU 34 -1.744 -7.270 8.684 248 HG LEU 34 HG LEU 34 0.256 -6.366 7.745 249 1HD1 LEU 34 1HD1 LEU 34 1.531 -7.605 5.915 250 2HD1 LEU 34 2HD1 LEU 34 0.527 -8.984 6.287 251 3HD1 LEU 34 3HD1 LEU 34 1.656 -8.380 7.474 252 1HD2 LEU 34 1HD2 LEU 34 -0.397 -6.185 5.333 253 2HD2 LEU 34 2HD2 LEU 34 -1.765 -6.013 6.414 254 3HD2 LEU 34 3HD2 LEU 34 -1.511 -7.522 5.557 255 H GLN 35 H GLN 35 -1.625 -10.731 10.010 256 HA GLN 35 HA GLN 35 0.305 -12.737 9.173 257 1HB GLN 35 1HB GLN 35 -2.391 -12.857 10.570 258 2HB GLN 35 2HB GLN 35 -1.541 -14.310 10.090 259 1HG GLN 35 1HG GLN 35 -1.057 -13.741 12.460 260 2HG GLN 35 2HG GLN 35 0.401 -13.685 11.489 261 1HE2 GLN 35 1HE2 GLN 35 -2.244 -11.326 12.230 262 2HE2 GLN 35 2HE2 GLN 35 -1.187 -10.061 12.638 263 H GLY 36 H GLY 36 -0.363 -14.563 7.860 264 1HA GLY 36 1HA GLY 36 -1.382 -15.585 6.028 265 2HA GLY 36 2HA GLY 36 -2.620 -14.335 6.074 266 H VAL 37 H VAL 37 0.421 -12.982 6.136 267 HA VAL 37 HA VAL 37 0.403 -12.419 3.253 268 HB VAL 37 HB VAL 37 1.177 -10.719 5.701 269 1HG1 VAL 37 1HG1 VAL 37 1.817 -8.980 4.098 270 2HG1 VAL 37 2HG1 VAL 37 1.549 -10.077 2.746 271 3HG1 VAL 37 3HG1 VAL 37 2.862 -10.370 3.878 272 1HG2 VAL 37 1HG2 VAL 37 -0.635 -9.322 4.686 273 2HG2 VAL 37 2HG2 VAL 37 -1.206 -10.945 5.040 274 3HG2 VAL 37 3HG2 VAL 37 -0.800 -10.490 3.395 275 H GLN 38 H GLN 38 2.233 -12.408 2.059 276 HA GLN 38 HA GLN 38 4.470 -14.016 3.145 277 1HB GLN 38 1HB GLN 38 3.750 -13.152 0.288 278 2HB GLN 38 2HB GLN 38 5.098 -14.195 0.710 279 1HG GLN 38 1HG GLN 38 3.563 -15.890 1.541 280 2HG GLN 38 2HG GLN 38 2.194 -14.794 1.357 281 1HE2 GLN 38 1HE2 GLN 38 2.057 -13.840 -1.010 282 2HE2 GLN 38 2HE2 GLN 38 2.254 -14.975 -2.254 283 H ARG 39 H ARG 39 4.508 -11.588 0.677 284 HA ARG 39 HA ARG 39 6.761 -10.176 2.012 285 1HB ARG 39 1HB ARG 39 7.051 -10.991 -0.360 286 2HB ARG 39 2HB ARG 39 5.749 -9.939 -0.853 287 1HG ARG 39 1HG ARG 39 7.850 -8.906 -1.410 288 2HG ARG 39 2HG ARG 39 7.016 -7.929 -0.237 289 1HD ARG 39 1HD ARG 39 9.412 -8.109 0.367 290 2HD ARG 39 2HD ARG 39 8.473 -8.954 1.580 291 HE ARG 39 HE ARG 39 9.427 -10.973 0.867 292 1HH1 ARG 39 1HH1 ARG 39 9.905 -8.499 -1.518 293 2HH1 ARG 39 2HH1 ARG 39 10.961 -9.476 -2.481 294 1HH2 ARG 39 1HH2 ARG 39 10.759 -12.223 -0.337 295 2HH2 ARG 39 2HH2 ARG 39 11.452 -11.615 -1.804 296 H ILE 40 H ILE 40 6.861 -7.882 1.841 297 HA ILE 40 HA ILE 40 4.402 -6.318 1.568 298 HB ILE 40 HB ILE 40 4.243 -7.098 3.885 299 1HG1 ILE 40 1HG1 ILE 40 3.697 -4.671 3.337 300 2HG1 ILE 40 2HG1 ILE 40 3.908 -5.058 5.020 301 1HG2 ILE 40 1HG2 ILE 40 7.066 -6.087 4.392 302 2HG2 ILE 40 2HG2 ILE 40 6.534 -7.758 4.357 303 3HG2 ILE 40 3HG2 ILE 40 5.956 -6.676 5.609 304 1HD1 ILE 40 1HD1 ILE 40 6.213 -4.059 4.923 305 2HD1 ILE 40 2HD1 ILE 40 4.961 -2.917 4.484 306 3HD1 ILE 40 3HD1 ILE 40 5.948 -3.635 3.239 307 H LYS 41 H LYS 41 5.088 -4.727 0.331 308 HA LYS 41 HA LYS 41 7.550 -3.269 0.978 309 1HB LYS 41 1HB LYS 41 8.366 -3.582 -1.434 310 2HB LYS 41 2HB LYS 41 8.516 -4.977 -0.385 311 1HG LYS 41 1HG LYS 41 6.276 -5.809 -1.348 312 2HG LYS 41 2HG LYS 41 6.393 -4.512 -2.530 313 1HD LYS 41 1HD LYS 41 8.561 -5.395 -3.290 314 2HD LYS 41 2HD LYS 41 8.479 -6.662 -2.073 315 1HE LYS 41 1HE LYS 41 6.370 -7.514 -3.124 316 2HE LYS 41 2HE LYS 41 6.513 -6.284 -4.374 317 1HZ LYS 41 1HZ LYS 41 8.511 -8.394 -3.800 318 2HZ LYS 41 2HZ LYS 41 8.618 -7.225 -5.027 319 3HZ LYS 41 3HZ LYS 41 7.397 -8.405 -5.082 320 H VAL 42 H VAL 42 6.864 -1.316 1.048 321 HA VAL 42 HA VAL 42 4.732 -0.362 -0.763 322 HB VAL 42 HB VAL 42 6.105 1.038 1.588 323 1HG1 VAL 42 1HG1 VAL 42 4.110 2.510 1.556 324 2HG1 VAL 42 2HG1 VAL 42 3.511 1.707 0.124 325 3HG1 VAL 42 3HG1 VAL 42 4.997 2.638 0.051 326 1HG2 VAL 42 1HG2 VAL 42 4.081 0.435 2.901 327 2HG2 VAL 42 2HG2 VAL 42 4.920 -1.003 2.354 328 3HG2 VAL 42 3HG2 VAL 42 3.457 -0.480 1.540 329 H SER 43 H SER 43 4.955 1.434 -2.029 330 HA SER 43 HA SER 43 7.773 2.008 -2.889 331 1HB SER 43 1HB SER 43 6.374 0.956 -4.653 332 2HB SER 43 2HB SER 43 5.180 2.248 -4.486 333 HG SER 43 HG SER 43 7.883 2.903 -4.840 334 H LEU 44 H LEU 44 8.477 4.049 -3.048 335 HA LEU 44 HA LEU 44 7.384 6.092 -1.420 336 1HB LEU 44 1HB LEU 44 9.347 6.228 -3.753 337 2HB LEU 44 2HB LEU 44 8.974 7.622 -2.772 338 HG LEU 44 HG LEU 44 11.086 6.598 -2.046 339 1HD1 LEU 44 1HD1 LEU 44 8.893 6.197 0.035 340 2HD1 LEU 44 2HD1 LEU 44 9.722 7.705 -0.318 341 3HD1 LEU 44 3HD1 LEU 44 10.606 6.354 0.369 342 1HD2 LEU 44 1HD2 LEU 44 10.666 4.238 -2.684 343 2HD2 LEU 44 2HD2 LEU 44 9.509 4.078 -1.368 344 3HD2 LEU 44 3HD2 LEU 44 11.196 4.370 -1.017 345 H ASP 45 H ASP 45 6.649 5.136 -4.581 346 HA ASP 45 HA ASP 45 5.512 7.482 -5.720 347 1HB ASP 45 1HB ASP 45 6.012 5.635 -7.168 348 2HB ASP 45 2HB ASP 45 5.184 4.489 -6.136 349 H ASN 46 H ASN 46 4.334 8.479 -4.063 350 HA ASN 46 HA ASN 46 2.480 8.978 -2.723 351 1HB ASN 46 1HB ASN 46 0.975 7.153 -4.671 352 2HB ASN 46 2HB ASN 46 0.315 8.501 -3.763 353 1HD2 ASN 46 1HD2 ASN 46 2.147 7.612 -6.598 354 2HD2 ASN 46 2HD2 ASN 46 2.242 9.168 -7.268 355 H GLN 47 H GLN 47 4.083 6.898 -1.838 356 HA GLN 47 HA GLN 47 4.216 5.011 -0.522 357 1HB GLN 47 1HB GLN 47 3.187 6.906 0.818 358 2HB GLN 47 2HB GLN 47 1.626 6.245 0.432 359 1HG GLN 47 1HG GLN 47 2.186 5.507 2.665 360 2HG GLN 47 2HG GLN 47 2.332 4.089 1.652 361 1HE2 GLN 47 1HE2 GLN 47 3.668 3.771 3.893 362 2HE2 GLN 47 2HE2 GLN 47 5.337 4.036 3.731 363 H GLU 48 H GLU 48 3.365 4.387 -2.890 364 HA GLU 48 HA GLU 48 0.852 2.971 -2.943 365 1HB GLU 48 1HB GLU 48 1.812 3.843 -5.013 366 2HB GLU 48 2HB GLU 48 3.251 2.859 -4.839 367 1HG GLU 48 1HG GLU 48 1.804 0.809 -5.117 368 2HG GLU 48 2HG GLU 48 0.392 1.846 -5.251 369 H ALA 49 H ALA 49 0.782 1.635 -1.307 370 HA ALA 49 HA ALA 49 2.821 -0.212 -0.557 371 1HB ALA 49 1HB ALA 49 1.012 -1.179 0.894 372 2HB ALA 49 2HB ALA 49 -0.167 -0.204 0.027 373 3HB ALA 49 3HB ALA 49 1.073 0.573 0.996 374 H THR 50 H THR 50 3.329 -2.204 -1.248 375 HA THR 50 HA THR 50 1.399 -3.669 -2.985 376 HB THR 50 HB THR 50 4.401 -3.283 -3.470 377 HG1 THR 50 HG1 THR 50 3.014 -1.509 -3.895 378 1HG2 THR 50 1HG2 THR 50 2.184 -4.609 -5.167 379 2HG2 THR 50 2HG2 THR 50 3.410 -5.525 -4.317 380 3HG2 THR 50 3HG2 THR 50 3.872 -4.463 -5.637 381 H ILE 51 H ILE 51 0.832 -4.942 -1.344 382 HA ILE 51 HA ILE 51 2.864 -6.550 0.113 383 HB ILE 51 HB ILE 51 -0.142 -6.169 0.500 384 1HG1 ILE 51 1HG1 ILE 51 0.487 -5.228 2.662 385 2HG1 ILE 51 2HG1 ILE 51 2.179 -5.519 2.344 386 1HG2 ILE 51 1HG2 ILE 51 1.796 -7.842 2.118 387 2HG2 ILE 51 2HG2 ILE 51 0.504 -8.492 1.117 388 3HG2 ILE 51 3HG2 ILE 51 0.121 -7.540 2.542 389 1HD1 ILE 51 1HD1 ILE 51 0.426 -3.619 0.768 390 2HD1 ILE 51 2HD1 ILE 51 2.157 -3.855 0.537 391 3HD1 ILE 51 3HD1 ILE 51 1.575 -3.153 2.019 392 H VAL 52 H VAL 52 3.124 -8.719 -0.322 393 HA VAL 52 HA VAL 52 1.444 -9.921 -2.433 394 HB VAL 52 HB VAL 52 4.148 -10.842 -1.413 395 1HG1 VAL 52 1HG1 VAL 52 2.614 -11.508 -3.926 396 2HG1 VAL 52 2HG1 VAL 52 2.826 -12.549 -2.525 397 3HG1 VAL 52 3HG1 VAL 52 4.218 -12.104 -3.500 398 1HG2 VAL 52 1HG2 VAL 52 4.369 -8.573 -2.404 399 2HG2 VAL 52 2HG2 VAL 52 3.509 -9.108 -3.836 400 3HG2 VAL 52 3HG2 VAL 52 5.097 -9.773 -3.467 401 H TYR 53 H TYR 53 0.400 -11.717 -1.905 402 HA TYR 53 HA TYR 53 1.011 -13.201 0.520 403 1HB TYR 53 1HB TYR 53 -1.134 -12.735 1.683 404 2HB TYR 53 2HB TYR 53 -0.115 -11.313 1.545 405 HD1 TYR 53 HD1 TYR 53 -3.320 -12.778 0.784 406 HD2 TYR 53 HD2 TYR 53 -0.704 -9.578 -0.249 407 HE1 TYR 53 HE1 TYR 53 -5.191 -11.566 -0.216 408 HE2 TYR 53 HE2 TYR 53 -2.575 -8.369 -1.242 409 HH TYR 53 HH TYR 53 -5.052 -9.362 -2.306 410 H GLN 54 H GLN 54 -0.538 -14.877 1.041 411 HA GLN 54 HA GLN 54 -1.445 -16.198 -1.420 412 1HB GLN 54 1HB GLN 54 -2.048 -18.092 0.227 413 2HB GLN 54 2HB GLN 54 -0.377 -17.766 -0.139 414 1HG GLN 54 1HG GLN 54 -1.637 -16.343 2.174 415 2HG GLN 54 2HG GLN 54 -1.234 -18.056 2.345 416 1HE2 GLN 54 1HE2 GLN 54 0.003 -15.464 3.513 417 2HE2 GLN 54 2HE2 GLN 54 1.661 -15.627 3.191 418 HA PRO 55 HA PRO 55 -5.226 -14.317 -0.935 419 1HB PRO 55 1HB PRO 55 -6.526 -15.272 -3.137 420 2HB PRO 55 2HB PRO 55 -5.051 -14.325 -3.206 421 1HG PRO 55 1HG PRO 55 -5.416 -17.242 -3.671 422 2HG PRO 55 2HG PRO 55 -4.170 -16.170 -4.293 423 1HD PRO 55 1HD PRO 55 -3.983 -17.955 -2.000 424 2HD PRO 55 2HD PRO 55 -2.740 -16.888 -2.667 425 H HIS 56 H HIS 56 -5.355 -16.512 0.952 426 HA HIS 56 HA HIS 56 -8.283 -16.740 1.131 427 1HB HIS 56 1HB HIS 56 -8.280 -19.228 1.188 428 2HB HIS 56 2HB HIS 56 -7.729 -18.619 -0.364 429 HD1 HIS 56 HD1 HIS 56 -5.256 -19.126 -0.915 430 HD2 HIS 56 HD2 HIS 56 -6.288 -20.275 2.849 431 HE1 HIS 56 HE1 HIS 56 -3.373 -20.490 -0.082 432 H LEU 57 H LEU 57 -5.790 -15.854 2.713 433 HA LEU 57 HA LEU 57 -6.205 -17.380 5.188 434 1HB LEU 57 1HB LEU 57 -4.148 -15.342 4.279 435 2HB LEU 57 2HB LEU 57 -4.274 -15.807 5.954 436 HG LEU 57 HG LEU 57 -2.490 -17.079 4.721 437 1HD1 LEU 57 1HD1 LEU 57 -4.800 -18.836 5.682 438 2HD1 LEU 57 2HD1 LEU 57 -3.572 -18.116 6.708 439 3HD1 LEU 57 3HD1 LEU 57 -3.130 -19.333 5.525 440 1HD2 LEU 57 1HD2 LEU 57 -3.632 -17.241 2.507 441 2HD2 LEU 57 2HD2 LEU 57 -4.801 -18.331 3.222 442 3HD2 LEU 57 3HD2 LEU 57 -3.128 -18.817 3.100 443 H ILE 58 H ILE 58 -6.064 -13.981 4.196 444 HA ILE 58 HA ILE 58 -8.434 -13.275 5.665 445 HB ILE 58 HB ILE 58 -6.915 -13.470 7.566 446 1HG1 ILE 58 1HG1 ILE 58 -7.310 -10.495 7.012 447 2HG1 ILE 58 2HG1 ILE 58 -8.604 -11.565 7.521 448 1HG2 ILE 58 1HG2 ILE 58 -5.128 -11.458 6.100 449 2HG2 ILE 58 2HG2 ILE 58 -4.759 -13.156 6.351 450 3HG2 ILE 58 3HG2 ILE 58 -4.833 -12.067 7.719 451 1HD1 ILE 58 1HD1 ILE 58 -7.330 -12.067 9.600 452 2HD1 ILE 58 2HD1 ILE 58 -7.655 -10.349 9.430 453 3HD1 ILE 58 3HD1 ILE 58 -6.053 -10.972 9.081 454 H SER 59 H SER 59 -8.857 -10.936 5.575 455 HA SER 59 HA SER 59 -8.245 -9.849 2.940 456 1HB SER 59 1HB SER 59 -9.676 -7.939 3.739 457 2HB SER 59 2HB SER 59 -10.468 -9.506 3.956 458 HG SER 59 HG SER 59 -9.497 -9.495 6.106 459 H VAL 60 H VAL 60 -6.398 -9.132 2.557 460 HA VAL 60 HA VAL 60 -4.717 -7.773 4.484 461 HB VAL 60 HB VAL 60 -4.349 -8.619 1.584 462 1HG1 VAL 60 1HG1 VAL 60 -1.941 -8.107 1.880 463 2HG1 VAL 60 2HG1 VAL 60 -2.270 -7.417 3.465 464 3HG1 VAL 60 3HG1 VAL 60 -2.920 -6.664 2.015 465 1HG2 VAL 60 1HG2 VAL 60 -3.224 -9.680 4.213 466 2HG2 VAL 60 2HG2 VAL 60 -2.842 -10.320 2.623 467 3HG2 VAL 60 3HG2 VAL 60 -4.472 -10.452 3.251 468 H GLU 61 H GLU 61 -6.786 -7.054 1.872 469 HA GLU 61 HA GLU 61 -5.859 -4.392 1.346 470 1HB GLU 61 1HB GLU 61 -7.164 -5.870 -0.251 471 2HB GLU 61 2HB GLU 61 -8.572 -5.686 0.780 472 1HG GLU 61 1HG GLU 61 -8.599 -3.280 0.409 473 2HG GLU 61 2HG GLU 61 -7.097 -3.363 -0.504 474 H GLU 62 H GLU 62 -7.869 -5.934 3.607 475 HA GLU 62 HA GLU 62 -9.438 -3.722 4.562 476 1HB GLU 62 1HB GLU 62 -9.925 -6.143 4.896 477 2HB GLU 62 2HB GLU 62 -8.532 -6.272 5.934 478 1HG GLU 62 1HG GLU 62 -9.553 -4.612 7.516 479 2HG GLU 62 2HG GLU 62 -10.975 -4.532 6.485 480 H MET 63 H MET 63 -6.353 -5.167 5.323 481 HA MET 63 HA MET 63 -5.717 -3.660 7.637 482 1HB MET 63 1HB MET 63 -3.894 -4.820 5.576 483 2HB MET 63 2HB MET 63 -3.378 -4.302 7.164 484 1HG MET 63 1HG MET 63 -5.391 -6.505 6.573 485 2HG MET 63 2HG MET 63 -3.762 -6.739 7.122 486 1HE MET 63 1HE MET 63 -7.514 -6.328 9.364 487 2HE MET 63 2HE MET 63 -7.229 -5.979 7.681 488 3HE MET 63 3HE MET 63 -7.113 -4.677 8.868 489 H LYS 64 H LYS 64 -5.209 -3.127 4.211 490 HA LYS 64 HA LYS 64 -3.845 -0.580 4.597 491 1HB LYS 64 1HB LYS 64 -4.787 -2.217 2.237 492 2HB LYS 64 2HB LYS 64 -4.365 -0.533 1.969 493 1HG LYS 64 1HG LYS 64 -2.134 -0.859 2.911 494 2HG LYS 64 2HG LYS 64 -2.529 -2.484 3.419 495 1HD LYS 64 1HD LYS 64 -2.668 -1.699 0.492 496 2HD LYS 64 2HD LYS 64 -1.144 -2.147 1.228 497 1HE LYS 64 1HE LYS 64 -3.642 -3.900 1.248 498 2HE LYS 64 2HE LYS 64 -2.259 -4.117 0.182 499 1HZ LYS 64 1HZ LYS 64 -1.460 -5.388 1.782 500 2HZ LYS 64 2HZ LYS 64 -2.574 -4.820 2.933 501 3HZ LYS 64 3HZ LYS 64 -1.141 -3.958 2.637 502 H LYS 65 H LYS 65 -7.099 -1.527 4.708 503 HA LYS 65 HA LYS 65 -8.250 0.856 3.613 504 1HB LYS 65 1HB LYS 65 -9.385 -1.389 3.810 505 2HB LYS 65 2HB LYS 65 -9.401 -1.173 5.549 506 1HG LYS 65 1HG LYS 65 -10.773 0.864 5.318 507 2HG LYS 65 2HG LYS 65 -10.756 0.681 3.567 508 1HD LYS 65 1HD LYS 65 -11.893 -1.535 3.803 509 2HD LYS 65 2HD LYS 65 -11.915 -1.336 5.546 510 1HE LYS 65 1HE LYS 65 -13.291 0.526 3.559 511 2HE LYS 65 2HE LYS 65 -14.096 -0.685 4.546 512 1HZ LYS 65 1HZ LYS 65 -13.052 0.514 6.499 513 2HZ LYS 65 2HZ LYS 65 -14.345 1.279 5.709 514 3HZ LYS 65 3HZ LYS 65 -12.750 1.785 5.415 515 H GLN 66 H GLN 66 -7.024 -0.218 6.687 516 HA GLN 66 HA GLN 66 -8.167 1.717 8.385 517 1HB GLN 66 1HB GLN 66 -5.403 0.474 8.626 518 2HB GLN 66 2HB GLN 66 -6.432 1.000 9.941 519 1HG GLN 66 1HG GLN 66 -6.973 -1.359 8.079 520 2HG GLN 66 2HG GLN 66 -6.500 -1.457 9.745 521 1HE2 GLN 66 1HE2 GLN 66 -8.096 -0.466 11.363 522 2HE2 GLN 66 2HE2 GLN 66 -9.750 -0.539 10.986 523 H ILE 67 H ILE 67 -5.505 1.776 6.197 524 HA ILE 67 HA ILE 67 -4.182 4.156 7.072 525 HB ILE 67 HB ILE 67 -4.392 2.875 4.338 526 1HG1 ILE 67 1HG1 ILE 67 -2.258 2.604 6.505 527 2HG1 ILE 67 2HG1 ILE 67 -3.494 1.404 6.207 528 1HG2 ILE 67 1HG2 ILE 67 -2.244 4.066 3.861 529 2HG2 ILE 67 2HG2 ILE 67 -2.383 4.894 5.403 530 3HG2 ILE 67 3HG2 ILE 67 -3.579 5.148 4.134 531 1HD1 ILE 67 1HD1 ILE 67 -1.433 0.753 5.084 532 2HD1 ILE 67 2HD1 ILE 67 -1.362 2.256 4.197 533 3HD1 ILE 67 3HD1 ILE 67 -2.652 1.112 3.876 534 H GLU 68 H GLU 68 -6.906 3.434 5.123 535 HA GLU 68 HA GLU 68 -7.294 6.144 4.086 536 1HB GLU 68 1HB GLU 68 -9.199 3.795 4.092 537 2HB GLU 68 2HB GLU 68 -9.285 5.223 3.108 538 1HG GLU 68 1HG GLU 68 -6.962 4.553 2.166 539 2HG GLU 68 2HG GLU 68 -7.114 3.068 3.064 540 H ALA 69 H ALA 69 -8.232 4.327 6.792 541 HA ALA 69 HA ALA 69 -10.535 5.931 7.550 542 1HB ALA 69 1HB ALA 69 -10.267 3.585 8.304 543 2HB ALA 69 2HB ALA 69 -10.389 4.675 9.679 544 3HB ALA 69 3HB ALA 69 -8.825 4.033 9.203 545 H MET 70 H MET 70 -7.099 5.845 8.333 546 HA MET 70 HA MET 70 -7.237 7.834 10.355 547 1HB MET 70 1HB MET 70 -4.780 7.651 10.257 548 2HB MET 70 2HB MET 70 -5.555 6.083 10.315 549 1HG MET 70 1HG MET 70 -5.246 5.750 8.014 550 2HG MET 70 2HG MET 70 -4.580 7.345 7.762 551 1HE MET 70 1HE MET 70 -2.338 6.944 6.643 552 2HE MET 70 2HE MET 70 -0.975 6.708 7.716 553 3HE MET 70 3HE MET 70 -2.121 7.983 8.074 554 H GLY 71 H GLY 71 -7.372 7.992 6.989 555 1HA GLY 71 1HA GLY 71 -7.972 10.290 6.191 556 2HA GLY 71 2HA GLY 71 -6.547 10.872 7.021 557 H PHE 72 H PHE 72 -5.735 8.004 5.544 558 HA PHE 72 HA PHE 72 -4.658 9.452 3.151 559 1HB PHE 72 1HB PHE 72 -3.519 7.051 4.648 560 2HB PHE 72 2HB PHE 72 -2.931 7.637 3.121 561 HD1 PHE 72 HD1 PHE 72 -3.850 9.161 6.455 562 HD2 PHE 72 HD2 PHE 72 -1.052 8.955 3.247 563 HE1 PHE 72 HE1 PHE 72 -2.433 10.785 7.582 564 HE2 PHE 72 HE2 PHE 72 0.366 10.583 4.373 565 HZ PHE 72 HZ PHE 72 -0.331 11.517 6.562 566 HA PRO 73 HA PRO 73 -7.792 6.447 1.466 567 1HB PRO 73 1HB PRO 73 -7.841 8.079 -0.886 568 2HB PRO 73 2HB PRO 73 -9.122 7.777 0.277 569 1HG PRO 73 1HG PRO 73 -7.455 10.160 -0.011 570 2HG PRO 73 2HG PRO 73 -8.879 9.951 0.996 571 1HD PRO 73 1HD PRO 73 -6.203 10.123 1.927 572 2HD PRO 73 2HD PRO 73 -7.599 9.592 2.881 573 H ALA 74 H ALA 74 -7.141 4.847 0.406 574 HA ALA 74 HA ALA 74 -4.646 4.932 -1.232 575 1HB ALA 74 1HB ALA 74 -4.364 2.555 -0.583 576 2HB ALA 74 2HB ALA 74 -5.871 2.607 0.328 577 3HB ALA 74 3HB ALA 74 -4.490 3.563 0.847 578 H PHE 75 H PHE 75 -5.155 5.099 -3.123 579 HA PHE 75 HA PHE 75 -7.636 4.320 -4.366 580 1HB PHE 75 1HB PHE 75 -5.020 4.969 -5.807 581 2HB PHE 75 2HB PHE 75 -6.654 5.214 -6.399 582 HD1 PHE 75 HD1 PHE 75 -3.978 7.003 -5.329 583 HD2 PHE 75 HD2 PHE 75 -8.109 6.594 -4.355 584 HE1 PHE 75 HE1 PHE 75 -3.974 9.249 -4.351 585 HE2 PHE 75 HE2 PHE 75 -8.097 8.841 -3.381 586 HZ PHE 75 HZ PHE 75 -6.031 10.175 -3.375 587 H VAL 76 H VAL 76 -7.900 2.177 -3.928 588 HA VAL 76 HA VAL 76 -5.974 0.135 -4.666 589 HB VAL 76 HB VAL 76 -8.974 -0.119 -4.075 590 1HG1 VAL 76 1HG1 VAL 76 -6.775 -2.228 -4.006 591 2HG1 VAL 76 2HG1 VAL 76 -8.064 -2.108 -5.196 592 3HG1 VAL 76 3HG1 VAL 76 -8.448 -2.472 -3.532 593 1HG2 VAL 76 1HG2 VAL 76 -8.315 -0.752 -1.772 594 2HG2 VAL 76 2HG2 VAL 76 -7.827 0.885 -2.143 595 3HG2 VAL 76 3HG2 VAL 76 -6.638 -0.402 -2.142 596 H LYS 77 H LYS 77 -5.617 -0.476 -6.712 597 HA LYS 77 HA LYS 77 -7.643 0.139 -8.812 598 1HB LYS 77 1HB LYS 77 -4.683 -0.548 -9.030 599 2HB LYS 77 2HB LYS 77 -5.723 -0.127 -10.378 600 1HG LYS 77 1HG LYS 77 -6.198 2.080 -9.361 601 2HG LYS 77 2HG LYS 77 -5.222 1.663 -7.965 602 1HD LYS 77 1HD LYS 77 -3.209 1.474 -9.409 603 2HD LYS 77 2HD LYS 77 -4.178 1.887 -10.815 604 1HE LYS 77 1HE LYS 77 -2.999 3.893 -9.929 605 2HE LYS 77 2HE LYS 77 -4.740 4.088 -9.786 606 1HZ LYS 77 1HZ LYS 77 -3.121 3.002 -7.574 607 2HZ LYS 77 2HZ LYS 77 -4.678 3.675 -7.517 608 3HZ LYS 77 3HZ LYS 77 -3.332 4.673 -7.793 609 H LYS 78 H LYS 78 -7.508 -2.262 -6.914 610 HA LYS 78 HA LYS 78 -8.539 -4.176 -8.745 611 1HB LYS 78 1HB LYS 78 -6.866 -5.979 -8.416 612 2HB LYS 78 2HB LYS 78 -6.119 -4.617 -9.193 613 1HG LYS 78 1HG LYS 78 -5.871 -5.259 -6.207 614 2HG LYS 78 2HG LYS 78 -4.714 -5.708 -7.420 615 1HD LYS 78 1HD LYS 78 -5.411 -2.820 -6.735 616 2HD LYS 78 2HD LYS 78 -4.027 -3.697 -6.149 617 1HE LYS 78 1HE LYS 78 -3.266 -4.084 -8.506 618 2HE LYS 78 2HE LYS 78 -4.593 -3.082 -9.075 619 1HZ LYS 78 1HZ LYS 78 -2.306 -2.293 -7.405 620 2HZ LYS 78 2HZ LYS 78 -3.699 -1.332 -7.538 621 3HZ LYS 78 3HZ LYS 78 -2.772 -1.679 -8.919 622 H GLN 79 H GLN 79 -10.069 -5.166 -7.729 623 HA GLN 79 HA GLN 79 -9.867 -6.440 -5.169 624 1HB GLN 79 1HB GLN 79 -11.522 -4.922 -3.952 625 2HB GLN 79 2HB GLN 79 -9.944 -4.220 -4.209 626 1HG GLN 79 1HG GLN 79 -10.786 -2.920 -6.140 627 2HG GLN 79 2HG GLN 79 -12.384 -3.626 -5.948 628 1HE2 GLN 79 1HE2 GLN 79 -13.763 -2.322 -4.780 629 2HE2 GLN 79 2HE2 GLN 79 -13.296 -1.228 -3.568 630 HA PRO 80 HA PRO 80 -13.320 -7.612 -8.100 631 1HB PRO 80 1HB PRO 80 -12.465 -10.271 -8.398 632 2HB PRO 80 2HB PRO 80 -12.148 -8.955 -9.518 633 1HG PRO 80 1HG PRO 80 -10.317 -10.238 -7.584 634 2HG PRO 80 2HG PRO 80 -9.934 -9.318 -9.031 635 1HD PRO 80 1HD PRO 80 -9.724 -8.387 -6.352 636 2HD PRO 80 2HD PRO 80 -9.627 -7.391 -7.814 637 H LYS 81 H LYS 81 -14.749 -9.674 -7.865 638 HA LYS 81 HA LYS 81 -15.810 -9.689 -5.199 639 1HB LYS 81 1HB LYS 81 -16.325 -11.651 -7.491 640 2HB LYS 81 2HB LYS 81 -17.337 -11.471 -6.075 641 1HG LYS 81 1HG LYS 81 -16.813 -9.276 -8.129 642 2HG LYS 81 2HG LYS 81 -18.241 -10.286 -8.077 643 1HD LYS 81 1HD LYS 81 -18.770 -9.410 -5.785 644 2HD LYS 81 2HD LYS 81 -17.361 -8.367 -5.866 645 1HE LYS 81 1HE LYS 81 -19.380 -7.102 -6.491 646 2HE LYS 81 2HE LYS 81 -18.306 -7.234 -7.875 647 1HZ LYS 81 1HZ LYS 81 -20.474 -9.180 -7.420 648 2HZ LYS 81 2HZ LYS 81 -19.644 -8.830 -8.858 649 3HZ LYS 81 3HZ LYS 81 -20.751 -7.710 -8.225 650 H TYR 82 H TYR 82 -14.419 -12.363 -7.055 651 HA TYR 82 HA TYR 82 -12.931 -13.339 -4.701 652 1HB TYR 82 1HB TYR 82 -14.988 -15.074 -6.161 653 2HB TYR 82 2HB TYR 82 -13.884 -15.649 -4.923 654 HD1 TYR 82 HD1 TYR 82 -14.066 -14.694 -2.574 655 HD2 TYR 82 HD2 TYR 82 -17.021 -13.949 -5.551 656 HE1 TYR 82 HE1 TYR 82 -15.649 -14.008 -0.837 657 HE2 TYR 82 HE2 TYR 82 -18.599 -13.264 -3.810 658 HH TYR 82 HH TYR 82 -18.047 -13.826 -0.500 659 H LEU 83 H LEU 83 -11.088 -14.315 -5.259 660 HA LEU 83 HA LEU 83 -10.070 -14.092 -7.911 661 1HB LEU 83 1HB LEU 83 -8.652 -14.161 -5.838 662 2HB LEU 83 2HB LEU 83 -9.100 -15.834 -5.591 663 HG LEU 83 HG LEU 83 -8.000 -16.432 -7.783 664 1HD1 LEU 83 1HD1 LEU 83 -6.526 -14.754 -8.873 665 2HD1 LEU 83 2HD1 LEU 83 -7.074 -13.521 -7.750 666 3HD1 LEU 83 3HD1 LEU 83 -8.189 -14.212 -8.919 667 1HD2 LEU 83 1HD2 LEU 83 -5.674 -16.153 -6.971 668 2HD2 LEU 83 2HD2 LEU 83 -6.743 -16.625 -5.663 669 3HD2 LEU 83 3HD2 LEU 83 -6.217 -14.956 -5.806 670 H LYS 84 H LYS 84 -11.684 -16.613 -6.186 671 HA LYS 84 HA LYS 84 -11.165 -18.798 -7.954 672 1HB LYS 84 1HB LYS 84 -11.987 -19.061 -5.610 673 2HB LYS 84 2HB LYS 84 -13.491 -18.294 -6.051 674 1HG LYS 84 1HG LYS 84 -13.744 -20.761 -5.979 675 2HG LYS 84 2HG LYS 84 -14.069 -20.134 -7.576 676 1HD LYS 84 1HD LYS 84 -12.708 -22.188 -7.693 677 2HD LYS 84 2HD LYS 84 -11.806 -20.839 -8.338 678 1HE LYS 84 1HE LYS 84 -10.587 -20.632 -6.149 679 2HE LYS 84 2HE LYS 84 -11.513 -21.991 -5.521 680 1HZ LYS 84 1HZ LYS 84 -9.656 -22.027 -7.827 681 2HZ LYS 84 2HZ LYS 84 -10.600 -23.346 -7.322 682 3HZ LYS 84 3HZ LYS 84 -9.395 -22.723 -6.299 Start of MODEL 4 1 1H GLY 1 1H GLY 1 11.512 -16.473 0.561 2 2H GLY 1 2H GLY 1 10.633 -17.872 0.172 3 3H GLY 1 3H GLY 1 10.598 -17.261 1.756 4 1HA GLY 1 1HA GLY 1 9.597 -15.177 0.794 5 2HA GLY 1 2HA GLY 1 9.377 -16.131 -0.679 6 H SER 2 H SER 2 9.148 -17.133 2.666 7 HA SER 2 HA SER 2 7.501 -18.177 3.910 8 1HB SER 2 1HB SER 2 6.405 -15.957 3.786 9 2HB SER 2 2HB SER 2 5.677 -16.357 2.228 10 HG SER 2 HG SER 2 4.351 -17.716 3.174 11 H MET 3 H MET 3 7.805 -20.223 3.204 12 HA MET 3 HA MET 3 7.301 -22.296 2.293 13 1HB MET 3 1HB MET 3 4.560 -20.998 1.824 14 2HB MET 3 2HB MET 3 4.879 -22.717 1.816 15 1HG MET 3 1HG MET 3 5.578 -22.668 4.134 16 2HG MET 3 2HG MET 3 5.434 -20.936 4.201 17 1HE MET 3 1HE MET 3 2.980 -19.787 3.505 18 2HE MET 3 2HE MET 3 3.562 -19.745 5.186 19 3HE MET 3 3HE MET 3 1.893 -20.146 4.834 20 H ALA 4 H ALA 4 5.896 -23.210 0.203 21 HA ALA 4 HA ALA 4 7.494 -22.405 -2.080 22 1HB ALA 4 1HB ALA 4 6.148 -24.142 -3.274 23 2HB ALA 4 2HB ALA 4 5.064 -24.254 -1.895 24 3HB ALA 4 3HB ALA 4 6.740 -24.755 -1.740 25 H GLN 5 H GLN 5 7.017 -20.254 -2.316 26 HA GLN 5 HA GLN 5 4.416 -19.113 -2.587 27 1HB GLN 5 1HB GLN 5 6.532 -17.864 -2.058 28 2HB GLN 5 2HB GLN 5 7.071 -18.110 -3.709 29 1HG GLN 5 1HG GLN 5 5.108 -16.854 -4.561 30 2HG GLN 5 2HG GLN 5 4.496 -16.714 -2.917 31 1HE2 GLN 5 1HE2 GLN 5 7.286 -15.777 -4.975 32 2HE2 GLN 5 2HE2 GLN 5 7.667 -14.381 -4.088 33 H ALA 6 H ALA 6 3.016 -19.555 -4.107 34 HA ALA 6 HA ALA 6 3.747 -19.503 -6.954 35 1HB ALA 6 1HB ALA 6 4.114 -21.887 -6.338 36 2HB ALA 6 2HB ALA 6 2.730 -21.737 -7.408 37 3HB ALA 6 3HB ALA 6 2.486 -21.975 -5.684 38 H GLY 7 H GLY 7 1.193 -20.224 -4.619 39 1HA GLY 7 1HA GLY 7 -0.994 -19.450 -6.354 40 2HA GLY 7 2HA GLY 7 -1.097 -19.731 -4.618 41 H GLU 8 H GLU 8 -1.037 -18.062 -3.266 42 HA GLU 8 HA GLU 8 -1.530 -15.913 -2.529 43 1HB GLU 8 1HB GLU 8 0.420 -14.402 -2.752 44 2HB GLU 8 2HB GLU 8 0.891 -16.040 -2.383 45 1HG GLU 8 1HG GLU 8 1.594 -16.440 -4.686 46 2HG GLU 8 2HG GLU 8 0.935 -14.895 -5.208 47 H VAL 9 H VAL 9 -1.251 -13.537 -3.093 48 HA VAL 9 HA VAL 9 -2.407 -12.821 -5.728 49 HB VAL 9 HB VAL 9 -4.138 -11.362 -4.435 50 1HG1 VAL 9 1HG1 VAL 9 -4.770 -13.450 -5.633 51 2HG1 VAL 9 2HG1 VAL 9 -5.708 -13.257 -4.163 52 3HG1 VAL 9 3HG1 VAL 9 -4.374 -14.396 -4.206 53 1HG2 VAL 9 1HG2 VAL 9 -3.449 -13.314 -2.176 54 2HG2 VAL 9 2HG2 VAL 9 -4.729 -12.129 -2.148 55 3HG2 VAL 9 3HG2 VAL 9 -3.056 -11.607 -2.137 56 H VAL 10 H VAL 10 -1.375 -11.163 -6.521 57 HA VAL 10 HA VAL 10 0.247 -9.404 -4.746 58 HB VAL 10 HB VAL 10 1.508 -8.855 -6.847 59 1HG1 VAL 10 1HG1 VAL 10 2.500 -11.108 -7.230 60 2HG1 VAL 10 2HG1 VAL 10 1.138 -11.855 -6.415 61 3HG1 VAL 10 3HG1 VAL 10 2.241 -10.825 -5.526 62 1HG2 VAL 10 1HG2 VAL 10 -0.347 -10.846 -8.239 63 2HG2 VAL 10 2HG2 VAL 10 1.099 -10.136 -8.933 64 3HG2 VAL 10 3HG2 VAL 10 -0.277 -9.127 -8.589 65 H LEU 11 H LEU 11 -1.050 -7.799 -4.044 66 HA LEU 11 HA LEU 11 -2.771 -6.342 -5.984 67 1HB LEU 11 1HB LEU 11 -2.728 -6.496 -2.974 68 2HB LEU 11 2HB LEU 11 -3.607 -5.232 -3.804 69 HG LEU 11 HG LEU 11 -4.939 -6.948 -5.019 70 1HD1 LEU 11 1HD1 LEU 11 -3.391 -8.884 -4.987 71 2HD1 LEU 11 2HD1 LEU 11 -4.910 -9.300 -4.237 72 3HD1 LEU 11 3HD1 LEU 11 -3.505 -8.971 -3.238 73 1HD2 LEU 11 1HD2 LEU 11 -5.761 -5.952 -2.935 74 2HD2 LEU 11 2HD2 LEU 11 -4.921 -7.168 -1.990 75 3HD2 LEU 11 3HD2 LEU 11 -6.265 -7.633 -3.025 76 H LYS 12 H LYS 12 -1.995 -4.617 -6.885 77 HA LYS 12 HA LYS 12 0.121 -2.972 -5.577 78 1HB LYS 12 1HB LYS 12 -1.112 -2.856 -8.405 79 2HB LYS 12 2HB LYS 12 0.152 -1.798 -7.827 80 1HG LYS 12 1HG LYS 12 1.145 -3.532 -9.207 81 2HG LYS 12 2HG LYS 12 1.711 -3.666 -7.566 82 1HD LYS 12 1HD LYS 12 1.234 -5.881 -8.540 83 2HD LYS 12 2HD LYS 12 0.191 -5.609 -7.175 84 1HE LYS 12 1HE LYS 12 -1.069 -6.574 -9.085 85 2HE LYS 12 2HE LYS 12 -1.663 -4.954 -8.780 86 1HZ LYS 12 1HZ LYS 12 0.505 -5.434 -10.712 87 2HZ LYS 12 2HZ LYS 12 -0.574 -4.127 -10.622 88 3HZ LYS 12 3HZ LYS 12 -1.120 -5.646 -11.155 89 H MET 13 H MET 13 -0.634 -1.582 -4.252 90 HA MET 13 HA MET 13 -3.235 -0.195 -4.753 91 1HB MET 13 1HB MET 13 -1.820 -0.655 -2.101 92 2HB MET 13 2HB MET 13 -3.445 -0.047 -2.340 93 1HG MET 13 1HG MET 13 -4.143 -2.189 -3.311 94 2HG MET 13 2HG MET 13 -2.526 -2.804 -3.218 95 1HE MET 13 1HE MET 13 -2.014 -4.674 -1.582 96 2HE MET 13 2HE MET 13 -1.977 -4.175 0.104 97 3HE MET 13 3HE MET 13 -1.206 -3.166 -1.094 98 H LYS 14 H LYS 14 -3.298 2.001 -4.578 99 HA LYS 14 HA LYS 14 -0.664 3.402 -4.281 100 1HB LYS 14 1HB LYS 14 -1.487 3.305 -6.552 101 2HB LYS 14 2HB LYS 14 -2.945 4.104 -6.038 102 1HG LYS 14 1HG LYS 14 -1.598 6.092 -5.238 103 2HG LYS 14 2HG LYS 14 -0.152 5.317 -5.846 104 1HD LYS 14 1HD LYS 14 -1.117 5.408 -8.171 105 2HD LYS 14 2HD LYS 14 -2.567 6.137 -7.521 106 1HE LYS 14 1HE LYS 14 -1.322 8.088 -6.732 107 2HE LYS 14 2HE LYS 14 0.206 7.365 -7.200 108 1HZ LYS 14 1HZ LYS 14 -0.496 7.398 -9.485 109 2HZ LYS 14 2HZ LYS 14 -0.586 8.957 -8.819 110 3HZ LYS 14 3HZ LYS 14 -2.003 8.048 -9.046 111 H VAL 15 H VAL 15 -0.787 4.112 -2.172 112 HA VAL 15 HA VAL 15 -3.104 5.397 -1.073 113 HB VAL 15 HB VAL 15 -0.282 4.749 -0.229 114 1HG1 VAL 15 1HG1 VAL 15 -0.317 6.136 1.776 115 2HG1 VAL 15 2HG1 VAL 15 -1.811 6.910 1.263 116 3HG1 VAL 15 3HG1 VAL 15 -0.317 7.168 0.362 117 1HG2 VAL 15 1HG2 VAL 15 -2.273 3.402 0.441 118 2HG2 VAL 15 2HG2 VAL 15 -2.916 4.822 1.264 119 3HG2 VAL 15 3HG2 VAL 15 -1.428 4.081 1.828 120 H GLU 16 H GLU 16 -2.949 7.591 -0.145 121 HA GLU 16 HA GLU 16 -2.035 9.554 -2.195 122 1HB GLU 16 1HB GLU 16 -4.487 9.563 -1.559 123 2HB GLU 16 2HB GLU 16 -4.031 9.835 0.115 124 1HG GLU 16 1HG GLU 16 -2.807 11.946 -0.666 125 2HG GLU 16 2HG GLU 16 -3.495 11.666 -2.255 126 H GLY 17 H GLY 17 -0.281 10.783 -1.596 127 1HA GLY 17 1HA GLY 17 1.014 10.347 0.920 128 2HA GLY 17 2HA GLY 17 1.562 11.431 -0.341 129 H MET 18 H MET 18 -1.644 11.787 0.806 130 HA MET 18 HA MET 18 -2.787 13.451 1.891 131 1HB MET 18 1HB MET 18 -1.448 12.412 3.798 132 2HB MET 18 2HB MET 18 -0.217 13.633 3.574 133 1HG MET 18 1HG MET 18 -1.723 14.249 5.383 134 2HG MET 18 2HG MET 18 -1.842 15.404 4.095 135 1HE MET 18 1HE MET 18 -3.330 12.946 6.337 136 2HE MET 18 2HE MET 18 -3.785 11.904 4.971 137 3HE MET 18 3HE MET 18 -5.009 12.776 5.894 138 H THR 19 H THR 19 -0.318 15.444 2.974 139 HA THR 19 HA THR 19 0.555 16.907 0.744 140 HB THR 19 HB THR 19 -1.777 17.558 0.212 141 HG1 THR 19 HG1 THR 19 -0.019 19.179 0.512 142 1HG2 THR 19 1HG2 THR 19 -2.795 17.027 2.499 143 2HG2 THR 19 2HG2 THR 19 -3.272 18.593 1.873 144 3HG2 THR 19 3HG2 THR 19 -2.049 18.489 3.126 145 H CYS 20 H CYS 20 -0.735 17.162 4.006 146 HA CYS 20 HA CYS 20 1.102 19.237 4.834 147 1HB CYS 20 1HB CYS 20 -1.131 19.052 5.803 148 2HB CYS 20 2HB CYS 20 -0.793 17.444 6.375 149 H HIS 21 H HIS 21 0.668 15.816 5.536 150 HA HIS 21 HA HIS 21 3.502 15.258 5.681 151 1HB HIS 21 1HB HIS 21 3.564 14.620 8.103 152 2HB HIS 21 2HB HIS 21 3.184 16.327 7.943 153 HD1 HIS 21 HD1 HIS 21 0.306 16.478 7.667 154 HD2 HIS 21 HD2 HIS 21 1.898 13.510 9.969 155 HE1 HIS 21 HE1 HIS 21 -1.496 15.732 9.178 156 H SER 22 H SER 22 3.919 13.023 5.881 157 HA SER 22 HA SER 22 1.521 11.287 5.460 158 1HB SER 22 1HB SER 22 4.340 10.993 4.329 159 2HB SER 22 2HB SER 22 3.015 9.846 4.069 160 HG SER 22 HG SER 22 2.804 12.624 3.566 161 H CYS 23 H CYS 23 1.110 10.180 7.203 162 HA CYS 23 HA CYS 23 3.181 9.395 9.137 163 1HB CYS 23 1HB CYS 23 0.193 8.867 9.084 164 2HB CYS 23 2HB CYS 23 1.246 8.578 10.443 165 H THR 24 H THR 24 2.980 8.254 6.367 166 HA THR 24 HA THR 24 2.106 5.554 6.467 167 HB THR 24 HB THR 24 3.569 5.286 4.426 168 HG1 THR 24 HG1 THR 24 5.120 6.791 5.371 169 1HG2 THR 24 1HG2 THR 24 2.463 7.071 3.031 170 2HG2 THR 24 2HG2 THR 24 2.050 7.971 4.477 171 3HG2 THR 24 3HG2 THR 24 1.274 6.434 4.150 172 H SER 25 H SER 25 4.780 6.946 7.953 173 HA SER 25 HA SER 25 6.735 4.884 7.794 174 1HB SER 25 1HB SER 25 7.193 7.154 8.800 175 2HB SER 25 2HB SER 25 6.144 6.747 10.168 176 HG SER 25 HG SER 25 7.473 4.976 10.593 177 H THR 26 H THR 26 4.050 5.443 9.985 178 HA THR 26 HA THR 26 4.437 3.075 11.567 179 HB THR 26 HB THR 26 2.155 3.665 12.516 180 HG1 THR 26 HG1 THR 26 2.104 4.882 10.069 181 1HG2 THR 26 1HG2 THR 26 3.784 6.205 11.918 182 2HG2 THR 26 2HG2 THR 26 4.154 5.108 13.240 183 3HG2 THR 26 3HG2 THR 26 2.636 5.991 13.229 184 H ILE 27 H ILE 27 2.658 3.857 8.643 185 HA ILE 27 HA ILE 27 0.951 1.574 8.602 186 HB ILE 27 HB ILE 27 2.048 3.348 6.396 187 1HG1 ILE 27 1HG1 ILE 27 -0.580 3.308 7.915 188 2HG1 ILE 27 2HG1 ILE 27 0.658 4.535 8.009 189 1HG2 ILE 27 1HG2 ILE 27 1.408 1.174 5.432 190 2HG2 ILE 27 2HG2 ILE 27 0.240 2.369 4.954 191 3HG2 ILE 27 3HG2 ILE 27 -0.142 1.246 6.251 192 1HD1 ILE 27 1HD1 ILE 27 0.286 5.130 5.611 193 2HD1 ILE 27 2HD1 ILE 27 -1.178 5.301 6.553 194 3HD1 ILE 27 3HD1 ILE 27 -0.974 3.921 5.509 195 H GLU 28 H GLU 28 4.256 2.089 7.439 196 HA GLU 28 HA GLU 28 4.587 -0.194 5.891 197 1HB GLU 28 1HB GLU 28 6.116 1.876 6.478 198 2HB GLU 28 2HB GLU 28 6.723 0.863 7.752 199 1HG GLU 28 1HG GLU 28 6.795 0.283 4.770 200 2HG GLU 28 2HG GLU 28 8.160 0.618 5.817 201 H GLY 29 H GLY 29 5.195 0.319 9.288 202 1HA GLY 29 1HA GLY 29 5.906 -2.372 9.999 203 2HA GLY 29 2HA GLY 29 5.420 -1.111 11.126 204 H LYS 30 H LYS 30 2.838 -0.667 9.927 205 HA LYS 30 HA LYS 30 1.264 -2.569 11.382 206 1HB LYS 30 1HB LYS 30 0.521 -0.240 10.893 207 2HB LYS 30 2HB LYS 30 0.484 -0.587 9.184 208 1HG LYS 30 1HG LYS 30 -1.207 -2.228 11.101 209 2HG LYS 30 2HG LYS 30 -1.757 -0.646 10.617 210 1HD LYS 30 1HD LYS 30 -1.124 -2.895 8.623 211 2HD LYS 30 2HD LYS 30 -2.713 -2.527 9.236 212 1HE LYS 30 1HE LYS 30 -0.993 -0.529 7.696 213 2HE LYS 30 2HE LYS 30 -2.288 -1.484 7.003 214 1HZ LYS 30 1HZ LYS 30 -3.340 -0.291 9.256 215 2HZ LYS 30 2HZ LYS 30 -3.668 0.079 7.633 216 3HZ LYS 30 3HZ LYS 30 -2.444 0.913 8.462 217 H ILE 31 H ILE 31 2.131 -2.153 8.061 218 HA ILE 31 HA ILE 31 0.614 -4.339 6.996 219 HB ILE 31 HB ILE 31 2.933 -2.681 5.917 220 1HG1 ILE 31 1HG1 ILE 31 -0.039 -2.721 5.193 221 2HG1 ILE 31 2HG1 ILE 31 0.626 -1.606 6.358 222 1HG2 ILE 31 1HG2 ILE 31 2.889 -4.927 4.802 223 2HG2 ILE 31 2HG2 ILE 31 2.396 -3.660 3.706 224 3HG2 ILE 31 3HG2 ILE 31 1.189 -4.703 4.454 225 1HD1 ILE 31 1HD1 ILE 31 2.147 -0.693 4.590 226 2HD1 ILE 31 2HD1 ILE 31 0.451 -0.533 4.152 227 3HD1 ILE 31 3HD1 ILE 31 1.427 -1.790 3.425 228 H GLY 32 H GLY 32 3.823 -3.959 8.303 229 1HA GLY 32 1HA GLY 32 4.861 -6.487 7.450 230 2HA GLY 32 2HA GLY 32 5.583 -5.424 8.651 231 H LYS 33 H LYS 33 2.723 -5.515 9.827 232 HA LYS 33 HA LYS 33 3.227 -7.715 11.656 233 1HB LYS 33 1HB LYS 33 2.899 -5.447 12.495 234 2HB LYS 33 2HB LYS 33 1.326 -5.412 11.743 235 1HG LYS 33 1HG LYS 33 0.865 -5.755 14.022 236 2HG LYS 33 2HG LYS 33 0.661 -7.344 13.366 237 1HD LYS 33 1HD LYS 33 3.134 -6.328 14.831 238 2HD LYS 33 2HD LYS 33 1.887 -7.325 15.534 239 1HE LYS 33 1HE LYS 33 3.909 -8.165 13.416 240 2HE LYS 33 2HE LYS 33 3.709 -8.771 15.036 241 1HZ LYS 33 1HZ LYS 33 2.573 -10.361 14.015 242 2HZ LYS 33 2HZ LYS 33 2.191 -9.404 12.668 243 3HZ LYS 33 3HZ LYS 33 1.290 -9.252 14.098 244 H LEU 34 H LEU 34 1.665 -7.462 8.803 245 HA LEU 34 HA LEU 34 -0.808 -8.717 9.476 246 1HB LEU 34 1HB LEU 34 0.539 -8.113 6.848 247 2HB LEU 34 2HB LEU 34 -1.096 -8.708 6.991 248 HG LEU 34 HG LEU 34 -0.037 -6.066 8.077 249 1HD1 LEU 34 1HD1 LEU 34 -1.958 -6.675 5.784 250 2HD1 LEU 34 2HD1 LEU 34 -0.306 -6.110 5.608 251 3HD1 LEU 34 3HD1 LEU 34 -1.517 -5.065 6.328 252 1HD2 LEU 34 1HD2 LEU 34 -2.391 -5.535 8.628 253 2HD2 LEU 34 2HD2 LEU 34 -1.847 -6.920 9.544 254 3HD2 LEU 34 3HD2 LEU 34 -2.883 -7.152 8.143 255 H GLN 35 H GLN 35 -1.046 -10.817 9.790 256 HA GLN 35 HA GLN 35 1.029 -12.715 9.108 257 1HB GLN 35 1HB GLN 35 -1.659 -12.893 10.498 258 2HB GLN 35 2HB GLN 35 -0.802 -14.357 10.062 259 1HG GLN 35 1HG GLN 35 -0.302 -13.648 12.406 260 2HG GLN 35 2HG GLN 35 1.142 -13.688 11.413 261 1HE2 GLN 35 1HE2 GLN 35 -1.259 -11.470 12.850 262 2HE2 GLN 35 2HE2 GLN 35 -0.252 -10.104 12.815 263 H GLY 36 H GLY 36 0.854 -14.438 7.688 264 1HA GLY 36 1HA GLY 36 -0.017 -15.742 5.946 265 2HA GLY 36 2HA GLY 36 -1.443 -14.718 5.928 266 H VAL 37 H VAL 37 1.082 -12.686 5.982 267 HA VAL 37 HA VAL 37 0.873 -12.020 3.152 268 HB VAL 37 HB VAL 37 2.176 -10.703 5.592 269 1HG1 VAL 37 1HG1 VAL 37 2.900 -8.855 4.147 270 2HG1 VAL 37 2HG1 VAL 37 2.357 -9.712 2.713 271 3HG1 VAL 37 3HG1 VAL 37 3.723 -10.317 3.641 272 1HG2 VAL 37 1HG2 VAL 37 0.569 -8.931 4.961 273 2HG2 VAL 37 2HG2 VAL 37 -0.265 -10.467 5.181 274 3HG2 VAL 37 3HG2 VAL 37 0.071 -9.859 3.567 275 H GLN 38 H GLN 38 2.351 -12.255 1.635 276 HA GLN 38 HA GLN 38 4.685 -13.999 2.220 277 1HB GLN 38 1HB GLN 38 3.531 -13.145 -0.500 278 2HB GLN 38 2HB GLN 38 4.739 -14.381 -0.226 279 1HG GLN 38 1HG GLN 38 1.832 -14.484 0.683 280 2HG GLN 38 2HG GLN 38 2.539 -15.427 -0.610 281 1HE2 GLN 38 1HE2 GLN 38 2.559 -14.917 2.854 282 2HE2 GLN 38 2HE2 GLN 38 3.187 -16.438 3.289 283 H ARG 39 H ARG 39 4.216 -11.494 -0.204 284 HA ARG 39 HA ARG 39 6.858 -10.342 0.511 285 1HB ARG 39 1HB ARG 39 6.031 -11.063 -1.912 286 2HB ARG 39 2HB ARG 39 5.214 -9.520 -1.876 287 1HG ARG 39 1HG ARG 39 7.361 -9.234 -2.984 288 2HG ARG 39 2HG ARG 39 7.379 -8.342 -1.479 289 1HD ARG 39 1HD ARG 39 9.488 -9.695 -1.889 290 2HD ARG 39 2HD ARG 39 8.689 -10.137 -0.389 291 HE ARG 39 HE ARG 39 8.015 -11.665 -2.852 292 1HH1 ARG 39 1HH1 ARG 39 9.617 -11.562 0.237 293 2HH1 ARG 39 2HH1 ARG 39 9.794 -13.280 0.306 294 1HH2 ARG 39 1HH2 ARG 39 8.236 -13.812 -2.767 295 2HH2 ARG 39 2HH2 ARG 39 9.008 -14.571 -1.417 296 H ILE 40 H ILE 40 7.038 -7.978 0.352 297 HA ILE 40 HA ILE 40 4.648 -6.379 0.949 298 HB ILE 40 HB ILE 40 5.242 -7.296 3.165 299 1HG1 ILE 40 1HG1 ILE 40 6.115 -4.388 2.908 300 2HG1 ILE 40 2HG1 ILE 40 4.456 -4.942 2.986 301 1HG2 ILE 40 1HG2 ILE 40 7.624 -7.866 2.761 302 2HG2 ILE 40 2HG2 ILE 40 7.441 -6.946 4.235 303 3HG2 ILE 40 3HG2 ILE 40 8.062 -6.167 2.803 304 1HD1 ILE 40 1HD1 ILE 40 4.889 -5.881 5.263 305 2HD1 ILE 40 2HD1 ILE 40 5.187 -4.153 5.204 306 3HD1 ILE 40 3HD1 ILE 40 6.536 -5.271 5.201 307 H LYS 41 H LYS 41 4.930 -4.837 -0.502 308 HA LYS 41 HA LYS 41 7.636 -3.585 -0.816 309 1HB LYS 41 1HB LYS 41 5.543 -4.125 -2.954 310 2HB LYS 41 2HB LYS 41 7.043 -3.256 -3.213 311 1HG LYS 41 1HG LYS 41 8.323 -5.303 -2.596 312 2HG LYS 41 2HG LYS 41 6.829 -6.146 -2.239 313 1HD LYS 41 1HD LYS 41 7.581 -6.817 -4.450 314 2HD LYS 41 2HD LYS 41 6.108 -5.884 -4.610 315 1HE LYS 41 1HE LYS 41 7.436 -3.868 -5.231 316 2HE LYS 41 2HE LYS 41 8.927 -4.781 -5.024 317 1HZ LYS 41 1HZ LYS 41 6.766 -5.420 -6.944 318 2HZ LYS 41 2HZ LYS 41 8.230 -6.262 -6.771 319 3HZ LYS 41 3HZ LYS 41 8.233 -4.655 -7.325 320 H VAL 42 H VAL 42 6.625 -2.374 0.967 321 HA VAL 42 HA VAL 42 4.570 -0.398 0.271 322 HB VAL 42 HB VAL 42 6.350 -0.676 2.753 323 1HG1 VAL 42 1HG1 VAL 42 5.402 1.618 2.452 324 2HG1 VAL 42 2HG1 VAL 42 4.656 0.805 3.816 325 3HG1 VAL 42 3HG1 VAL 42 3.797 0.921 2.289 326 1HG2 VAL 42 1HG2 VAL 42 4.833 -2.634 2.394 327 2HG2 VAL 42 2HG2 VAL 42 3.464 -1.545 2.278 328 3HG2 VAL 42 3HG2 VAL 42 4.338 -1.700 3.794 329 H SER 43 H SER 43 5.149 1.188 -1.017 330 HA SER 43 HA SER 43 7.941 2.139 -1.239 331 1HB SER 43 1HB SER 43 6.526 1.733 -3.267 332 2HB SER 43 2HB SER 43 5.423 2.999 -2.732 333 HG SER 43 HG SER 43 6.991 4.491 -2.962 334 H LEU 44 H LEU 44 8.107 4.554 -1.583 335 HA LEU 44 HA LEU 44 7.204 5.924 0.900 336 1HB LEU 44 1HB LEU 44 9.415 6.515 -1.114 337 2HB LEU 44 2HB LEU 44 9.015 7.616 0.182 338 HG LEU 44 HG LEU 44 9.491 5.773 1.847 339 1HD1 LEU 44 1HD1 LEU 44 10.882 3.855 1.101 340 2HD1 LEU 44 2HD1 LEU 44 10.645 4.321 -0.575 341 3HD1 LEU 44 3HD1 LEU 44 9.290 3.763 0.397 342 1HD2 LEU 44 1HD2 LEU 44 11.959 6.003 1.640 343 2HD2 LEU 44 2HD2 LEU 44 11.146 7.529 1.346 344 3HD2 LEU 44 3HD2 LEU 44 11.766 6.590 -0.004 345 H ASP 45 H ASP 45 7.374 8.527 0.190 346 HA ASP 45 HA ASP 45 6.132 10.304 -0.602 347 1HB ASP 45 1HB ASP 45 7.312 9.797 -2.709 348 2HB ASP 45 2HB ASP 45 6.160 8.546 -3.124 349 H ASN 46 H ASN 46 4.168 8.542 -2.818 350 HA ASN 46 HA ASN 46 1.805 8.957 -1.065 351 1HB ASN 46 1HB ASN 46 1.901 8.047 -3.978 352 2HB ASN 46 2HB ASN 46 0.509 8.648 -3.101 353 1HD2 ASN 46 1HD2 ASN 46 2.510 10.760 -1.843 354 2HD2 ASN 46 2HD2 ASN 46 2.554 11.952 -3.048 355 H GLN 47 H GLN 47 3.873 6.924 -0.742 356 HA GLN 47 HA GLN 47 4.234 4.663 -0.531 357 1HB GLN 47 1HB GLN 47 3.241 5.565 1.536 358 2HB GLN 47 2HB GLN 47 1.637 5.158 0.963 359 1HG GLN 47 1HG GLN 47 2.302 2.708 0.948 360 2HG GLN 47 2HG GLN 47 3.881 3.174 1.551 361 1HE2 GLN 47 1HE2 GLN 47 3.976 2.720 3.722 362 2HE2 GLN 47 2HE2 GLN 47 2.727 2.977 4.837 363 H GLU 48 H GLU 48 3.950 3.911 -2.722 364 HA GLU 48 HA GLU 48 1.366 2.765 -3.489 365 1HB GLU 48 1HB GLU 48 3.109 3.488 -5.213 366 2HB GLU 48 2HB GLU 48 4.146 2.188 -4.662 367 1HG GLU 48 1HG GLU 48 2.310 0.517 -5.205 368 2HG GLU 48 2HG GLU 48 1.322 1.836 -5.793 369 H ALA 49 H ALA 49 0.871 1.520 -1.774 370 HA ALA 49 HA ALA 49 2.663 -0.477 -0.677 371 1HB ALA 49 1HB ALA 49 0.673 -1.137 0.622 372 2HB ALA 49 2HB ALA 49 -0.321 -0.087 -0.380 373 3HB ALA 49 3HB ALA 49 0.928 0.599 0.659 374 H THR 50 H THR 50 3.179 -2.147 -1.739 375 HA THR 50 HA THR 50 1.159 -3.616 -3.406 376 HB THR 50 HB THR 50 4.149 -3.176 -3.991 377 HG1 THR 50 HG1 THR 50 2.565 -1.521 -4.369 378 1HG2 THR 50 1HG2 THR 50 1.966 -4.636 -5.615 379 2HG2 THR 50 2HG2 THR 50 3.243 -5.497 -4.782 380 3HG2 THR 50 3HG2 THR 50 3.639 -4.425 -6.111 381 H ILE 51 H ILE 51 0.695 -4.571 -1.447 382 HA ILE 51 HA ILE 51 2.635 -6.410 -0.204 383 HB ILE 51 HB ILE 51 -0.266 -5.743 0.433 384 1HG1 ILE 51 1HG1 ILE 51 0.597 -4.745 2.476 385 2HG1 ILE 51 2HG1 ILE 51 2.245 -5.174 2.047 386 1HG2 ILE 51 1HG2 ILE 51 1.646 -7.552 1.953 387 2HG2 ILE 51 2HG2 ILE 51 0.200 -8.081 1.099 388 3HG2 ILE 51 3HG2 ILE 51 0.056 -7.056 2.514 389 1HD1 ILE 51 1HD1 ILE 51 1.737 -2.811 1.636 390 2HD1 ILE 51 2HD1 ILE 51 0.463 -3.278 0.515 391 3HD1 ILE 51 3HD1 ILE 51 2.157 -3.620 0.152 392 H VAL 52 H VAL 52 2.639 -8.531 -0.469 393 HA VAL 52 HA VAL 52 0.643 -9.766 -2.268 394 HB VAL 52 HB VAL 52 3.507 -10.550 -1.657 395 1HG1 VAL 52 1HG1 VAL 52 2.114 -12.471 -2.161 396 2HG1 VAL 52 2HG1 VAL 52 3.231 -12.162 -3.480 397 3HG1 VAL 52 3HG1 VAL 52 1.531 -11.717 -3.634 398 1HG2 VAL 52 1HG2 VAL 52 3.966 -9.823 -4.014 399 2HG2 VAL 52 2HG2 VAL 52 3.403 -8.485 -3.025 400 3HG2 VAL 52 3HG2 VAL 52 2.305 -9.261 -4.147 401 H TYR 53 H TYR 53 -0.333 -11.556 -1.468 402 HA TYR 53 HA TYR 53 0.610 -12.785 1.025 403 1HB TYR 53 1HB TYR 53 -1.524 -12.324 2.261 404 2HB TYR 53 2HB TYR 53 -0.608 -10.875 1.917 405 HD1 TYR 53 HD1 TYR 53 -1.317 -9.428 -0.085 406 HD2 TYR 53 HD2 TYR 53 -3.775 -12.511 1.530 407 HE1 TYR 53 HE1 TYR 53 -3.276 -8.417 -1.130 408 HE2 TYR 53 HE2 TYR 53 -5.735 -11.497 0.475 409 HH TYR 53 HH TYR 53 -5.980 -8.539 -0.482 410 H GLN 54 H GLN 54 -0.662 -14.517 1.737 411 HA GLN 54 HA GLN 54 -1.270 -16.363 -0.339 412 1HB GLN 54 1HB GLN 54 -1.778 -16.406 2.646 413 2HB GLN 54 2HB GLN 54 -1.938 -17.832 1.621 414 1HG GLN 54 1HG GLN 54 0.434 -17.768 1.074 415 2HG GLN 54 2HG GLN 54 0.611 -16.183 1.815 416 1HE2 GLN 54 1HE2 GLN 54 1.226 -16.145 3.948 417 2HE2 GLN 54 2HE2 GLN 54 1.187 -17.463 5.011 418 HA PRO 55 HA PRO 55 -5.047 -15.098 -1.501 419 1HB PRO 55 1HB PRO 55 -6.170 -17.348 -2.665 420 2HB PRO 55 2HB PRO 55 -4.813 -16.442 -3.318 421 1HG PRO 55 1HG PRO 55 -4.817 -19.080 -1.972 422 2HG PRO 55 2HG PRO 55 -3.640 -18.404 -3.090 423 1HD PRO 55 1HD PRO 55 -3.399 -18.566 -0.229 424 2HD PRO 55 2HD PRO 55 -2.295 -17.761 -1.356 425 H HIS 56 H HIS 56 -5.260 -16.746 1.286 426 HA HIS 56 HA HIS 56 -8.105 -16.098 1.607 427 1HB HIS 56 1HB HIS 56 -8.724 -18.457 2.276 428 2HB HIS 56 2HB HIS 56 -8.275 -18.319 0.584 429 HD1 HIS 56 HD1 HIS 56 -6.361 -19.805 -0.095 430 HD2 HIS 56 HD2 HIS 56 -6.498 -19.410 3.961 431 HE1 HIS 56 HE1 HIS 56 -4.657 -21.348 0.805 432 H LEU 57 H LEU 57 -5.357 -15.611 2.888 433 HA LEU 57 HA LEU 57 -5.787 -16.562 5.615 434 1HB LEU 57 1HB LEU 57 -3.639 -14.920 4.240 435 2HB LEU 57 2HB LEU 57 -3.661 -15.086 5.977 436 HG LEU 57 HG LEU 57 -2.133 -16.748 4.775 437 1HD1 LEU 57 1HD1 LEU 57 -4.419 -17.968 6.392 438 2HD1 LEU 57 2HD1 LEU 57 -2.989 -17.206 7.068 439 3HD1 LEU 57 3HD1 LEU 57 -2.843 -18.690 6.140 440 1HD2 LEU 57 1HD2 LEU 57 -4.756 -18.051 3.974 441 2HD2 LEU 57 2HD2 LEU 57 -3.157 -18.688 3.658 442 3HD2 LEU 57 3HD2 LEU 57 -3.710 -17.235 2.837 443 H ILE 58 H ILE 58 -5.610 -13.458 3.959 444 HA ILE 58 HA ILE 58 -7.690 -12.301 5.572 445 HB ILE 58 HB ILE 58 -5.907 -12.182 7.235 446 1HG1 ILE 58 1HG1 ILE 58 -6.325 -9.388 6.078 447 2HG1 ILE 58 2HG1 ILE 58 -7.547 -10.251 6.992 448 1HG2 ILE 58 1HG2 ILE 58 -3.788 -10.901 6.784 449 2HG2 ILE 58 2HG2 ILE 58 -4.307 -10.629 5.131 450 3HG2 ILE 58 3HG2 ILE 58 -3.946 -12.253 5.686 451 1HD1 ILE 58 1HD1 ILE 58 -6.327 -8.682 8.408 452 2HD1 ILE 58 2HD1 ILE 58 -4.797 -9.441 7.999 453 3HD1 ILE 58 3HD1 ILE 58 -6.001 -10.329 8.929 454 H SER 59 H SER 59 -8.137 -10.101 5.014 455 HA SER 59 HA SER 59 -7.406 -9.462 2.185 456 1HB SER 59 1HB SER 59 -9.641 -8.347 3.944 457 2HB SER 59 2HB SER 59 -9.392 -8.011 2.217 458 HG SER 59 HG SER 59 -9.516 -10.276 1.862 459 H VAL 60 H VAL 60 -5.726 -8.245 2.067 460 HA VAL 60 HA VAL 60 -4.799 -6.505 4.137 461 HB VAL 60 HB VAL 60 -4.029 -6.756 1.191 462 1HG1 VAL 60 1HG1 VAL 60 -1.879 -5.682 1.876 463 2HG1 VAL 60 2HG1 VAL 60 -2.499 -5.452 3.501 464 3HG1 VAL 60 3HG1 VAL 60 -3.218 -4.593 2.150 465 1HG2 VAL 60 1HG2 VAL 60 -3.703 -8.847 2.510 466 2HG2 VAL 60 2HG2 VAL 60 -2.787 -7.956 3.713 467 3HG2 VAL 60 3HG2 VAL 60 -2.152 -8.145 2.090 468 H GLU 61 H GLU 61 -7.088 -6.219 1.652 469 HA GLU 61 HA GLU 61 -6.996 -3.437 1.107 470 1HB GLU 61 1HB GLU 61 -8.215 -5.017 -0.324 471 2HB GLU 61 2HB GLU 61 -9.263 -5.478 1.004 472 1HG GLU 61 1HG GLU 61 -10.256 -3.271 1.082 473 2HG GLU 61 2HG GLU 61 -9.101 -2.643 -0.085 474 H GLU 62 H GLU 62 -8.401 -5.352 3.652 475 HA GLU 62 HA GLU 62 -10.080 -3.349 4.819 476 1HB GLU 62 1HB GLU 62 -10.236 -5.809 5.232 477 2HB GLU 62 2HB GLU 62 -8.694 -5.775 6.036 478 1HG GLU 62 1HG GLU 62 -10.604 -5.736 7.679 479 2HG GLU 62 2HG GLU 62 -9.529 -4.364 7.847 480 H MET 63 H MET 63 -6.798 -4.409 5.222 481 HA MET 63 HA MET 63 -6.058 -2.766 7.404 482 1HB MET 63 1HB MET 63 -4.335 -3.781 5.184 483 2HB MET 63 2HB MET 63 -3.744 -3.194 6.715 484 1HG MET 63 1HG MET 63 -5.575 -5.588 6.351 485 2HG MET 63 2HG MET 63 -3.876 -5.657 6.678 486 1HE MET 63 1HE MET 63 -7.198 -3.964 8.766 487 2HE MET 63 2HE MET 63 -7.303 -5.598 9.435 488 3HE MET 63 3HE MET 63 -7.291 -5.377 7.707 489 H LYS 64 H LYS 64 -6.222 -2.253 3.959 490 HA LYS 64 HA LYS 64 -4.949 0.367 4.042 491 1HB LYS 64 1HB LYS 64 -6.233 -1.346 1.926 492 2HB LYS 64 2HB LYS 64 -6.199 0.380 1.628 493 1HG LYS 64 1HG LYS 64 -4.207 -0.652 0.653 494 2HG LYS 64 2HG LYS 64 -3.743 0.419 1.952 495 1HD LYS 64 1HD LYS 64 -3.578 -1.621 3.476 496 2HD LYS 64 2HD LYS 64 -3.942 -2.610 2.068 497 1HE LYS 64 1HE LYS 64 -1.919 -1.723 0.918 498 2HE LYS 64 2HE LYS 64 -1.558 -0.731 2.323 499 1HZ LYS 64 1HZ LYS 64 -1.810 -3.128 3.448 500 2HZ LYS 64 2HZ LYS 64 -0.338 -2.482 2.899 501 3HZ LYS 64 3HZ LYS 64 -1.204 -3.567 1.924 502 H LYS 65 H LYS 65 -8.161 -0.853 4.529 503 HA LYS 65 HA LYS 65 -9.551 1.540 3.869 504 1HB LYS 65 1HB LYS 65 -10.580 -0.748 4.168 505 2HB LYS 65 2HB LYS 65 -10.231 -0.639 5.881 506 1HG LYS 65 1HG LYS 65 -11.702 1.338 6.078 507 2HG LYS 65 2HG LYS 65 -12.005 1.291 4.346 508 1HD LYS 65 1HD LYS 65 -13.025 -0.990 4.616 509 2HD LYS 65 2HD LYS 65 -12.746 -0.892 6.346 510 1HE LYS 65 1HE LYS 65 -15.072 -0.263 5.826 511 2HE LYS 65 2HE LYS 65 -14.207 1.120 6.478 512 1HZ LYS 65 1HZ LYS 65 -15.621 1.425 4.397 513 2HZ LYS 65 2HZ LYS 65 -14.343 0.666 3.574 514 3HZ LYS 65 3HZ LYS 65 -14.067 2.111 4.420 515 H GLN 66 H GLN 66 -7.749 0.400 6.601 516 HA GLN 66 HA GLN 66 -8.581 2.341 8.500 517 1HB GLN 66 1HB GLN 66 -5.914 0.851 8.326 518 2HB GLN 66 2HB GLN 66 -6.611 1.556 9.762 519 1HG GLN 66 1HG GLN 66 -8.453 -0.070 9.754 520 2HG GLN 66 2HG GLN 66 -7.878 -0.754 8.240 521 1HE2 GLN 66 1HE2 GLN 66 -5.188 -1.086 8.560 522 2HE2 GLN 66 2HE2 GLN 66 -4.848 -2.070 9.900 523 H ILE 67 H ILE 67 -6.026 2.061 6.166 524 HA ILE 67 HA ILE 67 -4.567 4.438 6.783 525 HB ILE 67 HB ILE 67 -4.894 2.804 4.247 526 1HG1 ILE 67 1HG1 ILE 67 -2.733 2.855 6.393 527 2HG1 ILE 67 2HG1 ILE 67 -3.962 1.630 6.262 528 1HG2 ILE 67 1HG2 ILE 67 -2.838 4.964 4.841 529 2HG2 ILE 67 2HG2 ILE 67 -4.091 5.006 3.609 530 3HG2 ILE 67 3HG2 ILE 67 -2.778 3.869 3.469 531 1HD1 ILE 67 1HD1 ILE 67 -1.891 0.780 5.260 532 2HD1 ILE 67 2HD1 ILE 67 -1.788 2.162 4.184 533 3HD1 ILE 67 3HD1 ILE 67 -3.067 0.989 3.988 534 H GLU 68 H GLU 68 -7.344 3.695 4.929 535 HA GLU 68 HA GLU 68 -7.637 6.362 3.731 536 1HB GLU 68 1HB GLU 68 -9.332 3.873 3.748 537 2HB GLU 68 2HB GLU 68 -9.755 5.339 2.886 538 1HG GLU 68 1HG GLU 68 -7.684 5.191 1.565 539 2HG GLU 68 2HG GLU 68 -7.099 3.840 2.493 540 H ALA 69 H ALA 69 -8.629 4.743 6.568 541 HA ALA 69 HA ALA 69 -10.934 6.436 7.119 542 1HB ALA 69 1HB ALA 69 -10.876 5.337 9.338 543 2HB ALA 69 2HB ALA 69 -9.319 4.623 8.947 544 3HB ALA 69 3HB ALA 69 -10.752 4.148 8.047 545 H MET 70 H MET 70 -7.540 6.307 8.028 546 HA MET 70 HA MET 70 -7.657 8.441 9.896 547 1HB MET 70 1HB MET 70 -5.201 8.160 9.876 548 2HB MET 70 2HB MET 70 -6.040 6.637 10.054 549 1HG MET 70 1HG MET 70 -5.733 6.199 7.673 550 2HG MET 70 2HG MET 70 -4.839 7.679 7.489 551 1HE MET 70 1HE MET 70 -1.354 6.831 8.184 552 2HE MET 70 2HE MET 70 -2.534 8.121 8.242 553 3HE MET 70 3HE MET 70 -2.380 7.114 6.781 554 H GLY 71 H GLY 71 -7.658 8.361 6.522 555 1HA GLY 71 1HA GLY 71 -8.140 10.616 5.546 556 2HA GLY 71 2HA GLY 71 -6.745 11.213 6.407 557 H PHE 72 H PHE 72 -6.063 8.202 5.000 558 HA PHE 72 HA PHE 72 -4.744 9.566 2.679 559 1HB PHE 72 1HB PHE 72 -3.896 6.978 4.088 560 2HB PHE 72 2HB PHE 72 -3.201 7.652 2.654 561 HD1 PHE 72 HD1 PHE 72 -1.128 8.500 3.069 562 HD2 PHE 72 HD2 PHE 72 -4.168 9.217 5.972 563 HE1 PHE 72 HE1 PHE 72 0.421 9.855 4.348 564 HE2 PHE 72 HE2 PHE 72 -2.616 10.574 7.254 565 HZ PHE 72 HZ PHE 72 -0.321 10.918 6.470 566 HA PRO 73 HA PRO 73 -8.068 7.002 0.668 567 1HB PRO 73 1HB PRO 73 -7.232 8.671 -1.600 568 2HB PRO 73 2HB PRO 73 -8.839 8.334 -0.968 569 1HG PRO 73 1HG PRO 73 -7.424 10.743 -0.591 570 2HG PRO 73 2HG PRO 73 -8.825 10.235 0.335 571 1HD PRO 73 1HD PRO 73 -6.039 10.388 1.228 572 2HD PRO 73 2HD PRO 73 -7.495 10.068 2.190 573 H ALA 74 H ALA 74 -7.574 5.242 -0.333 574 HA ALA 74 HA ALA 74 -4.922 4.915 -1.668 575 1HB ALA 74 1HB ALA 74 -6.266 2.897 0.189 576 2HB ALA 74 2HB ALA 74 -4.866 3.870 0.605 577 3HB ALA 74 3HB ALA 74 -4.747 2.656 -0.657 578 H PHE 75 H PHE 75 -5.092 4.325 -3.574 579 HA PHE 75 HA PHE 75 -7.622 3.422 -4.733 580 1HB PHE 75 1HB PHE 75 -4.915 3.782 -6.103 581 2HB PHE 75 2HB PHE 75 -6.472 3.648 -6.893 582 HD1 PHE 75 HD1 PHE 75 -4.076 5.965 -5.835 583 HD2 PHE 75 HD2 PHE 75 -8.302 5.424 -5.950 584 HE1 PHE 75 HE1 PHE 75 -4.388 8.385 -5.668 585 HE2 PHE 75 HE2 PHE 75 -8.609 7.851 -5.785 586 HZ PHE 75 HZ PHE 75 -6.655 9.336 -5.643 587 H VAL 76 H VAL 76 -7.330 1.544 -3.165 588 HA VAL 76 HA VAL 76 -5.500 -0.564 -3.807 589 HB VAL 76 HB VAL 76 -8.211 -0.683 -2.345 590 1HG1 VAL 76 1HG1 VAL 76 -7.318 -2.731 -1.249 591 2HG1 VAL 76 2HG1 VAL 76 -5.871 -2.637 -2.222 592 3HG1 VAL 76 3HG1 VAL 76 -7.412 -2.959 -2.980 593 1HG2 VAL 76 1HG2 VAL 76 -6.652 0.922 -1.277 594 2HG2 VAL 76 2HG2 VAL 76 -5.412 -0.320 -1.207 595 3HG2 VAL 76 3HG2 VAL 76 -6.888 -0.494 -0.270 596 H LYS 77 H LYS 77 -5.981 -2.497 -4.939 597 HA LYS 77 HA LYS 77 -6.883 -3.851 -6.617 598 1HB LYS 77 1HB LYS 77 -9.434 -2.128 -6.546 599 2HB LYS 77 2HB LYS 77 -9.287 -3.739 -7.159 600 1HG LYS 77 1HG LYS 77 -9.102 -2.883 -4.243 601 2HG LYS 77 2HG LYS 77 -10.413 -3.754 -4.979 602 1HD LYS 77 1HD LYS 77 -7.598 -4.908 -4.759 603 2HD LYS 77 2HD LYS 77 -8.851 -5.179 -3.576 604 1HE LYS 77 1HE LYS 77 -8.824 -7.085 -5.076 605 2HE LYS 77 2HE LYS 77 -10.298 -6.183 -5.382 606 1HZ LYS 77 1HZ LYS 77 -9.641 -5.630 -7.421 607 2HZ LYS 77 2HZ LYS 77 -8.612 -6.971 -7.268 608 3HZ LYS 77 3HZ LYS 77 -8.015 -5.408 -6.980 609 H LYS 78 H LYS 78 -6.462 -3.650 -8.767 610 HA LYS 78 HA LYS 78 -5.959 -2.682 -10.832 611 1HB LYS 78 1HB LYS 78 -8.378 -1.881 -10.664 612 2HB LYS 78 2HB LYS 78 -7.815 -0.417 -9.894 613 1HG LYS 78 1HG LYS 78 -6.534 0.207 -11.922 614 2HG LYS 78 2HG LYS 78 -7.060 -1.270 -12.710 615 1HD LYS 78 1HD LYS 78 -8.488 0.556 -13.454 616 2HD LYS 78 2HD LYS 78 -9.454 -0.474 -12.418 617 1HE LYS 78 1HE LYS 78 -9.084 1.109 -10.502 618 2HE LYS 78 2HE LYS 78 -8.106 2.127 -11.548 619 1HZ LYS 78 1HZ LYS 78 -10.069 2.337 -13.001 620 2HZ LYS 78 2HZ LYS 78 -10.289 2.989 -11.447 621 3HZ LYS 78 3HZ LYS 78 -10.977 1.487 -11.844 622 H GLN 79 H GLN 79 -4.799 -0.756 -11.775 623 HA GLN 79 HA GLN 79 -3.276 0.765 -9.693 624 1HB GLN 79 1HB GLN 79 -1.980 -1.189 -10.647 625 2HB GLN 79 2HB GLN 79 -2.132 -0.475 -12.236 626 1HG GLN 79 1HG GLN 79 0.060 0.087 -11.197 627 2HG GLN 79 2HG GLN 79 -0.881 1.538 -11.487 628 1HE2 GLN 79 1HE2 GLN 79 -1.478 -0.711 -8.763 629 2HE2 GLN 79 2HE2 GLN 79 -1.023 0.386 -7.553 630 HA PRO 80 HA PRO 80 -5.123 3.693 -12.745 631 1HB PRO 80 1HB PRO 80 -5.876 5.552 -10.824 632 2HB PRO 80 2HB PRO 80 -6.908 4.276 -11.438 633 1HG PRO 80 1HG PRO 80 -5.469 4.431 -8.842 634 2HG PRO 80 2HG PRO 80 -6.962 3.586 -9.232 635 1HD PRO 80 1HD PRO 80 -4.425 2.389 -8.939 636 2HD PRO 80 2HD PRO 80 -5.820 1.634 -9.734 637 H LYS 81 H LYS 81 -4.401 5.849 -13.229 638 HA LYS 81 HA LYS 81 -2.776 7.441 -13.628 639 1HB LYS 81 1HB LYS 81 -2.186 6.921 -10.675 640 2HB LYS 81 2HB LYS 81 -1.284 8.085 -11.601 641 1HG LYS 81 1HG LYS 81 -2.948 9.365 -10.530 642 2HG LYS 81 2HG LYS 81 -3.476 9.230 -12.187 643 1HD LYS 81 1HD LYS 81 -5.389 8.926 -10.741 644 2HD LYS 81 2HD LYS 81 -5.052 7.390 -11.501 645 1HE LYS 81 1HE LYS 81 -3.940 6.581 -9.438 646 2HE LYS 81 2HE LYS 81 -4.075 8.174 -8.707 647 1HZ LYS 81 1HZ LYS 81 -6.539 6.957 -9.652 648 2HZ LYS 81 2HZ LYS 81 -6.240 7.892 -8.267 649 3HZ LYS 81 3HZ LYS 81 -5.809 6.251 -8.289 650 H TYR 82 H TYR 82 -0.446 7.856 -13.750 651 HA TYR 82 HA TYR 82 0.937 5.510 -14.733 652 1HB TYR 82 1HB TYR 82 1.922 8.372 -14.284 653 2HB TYR 82 2HB TYR 82 2.773 7.150 -15.223 654 HD1 TYR 82 HD1 TYR 82 0.166 9.645 -15.300 655 HD2 TYR 82 HD2 TYR 82 1.530 6.095 -17.225 656 HE1 TYR 82 HE1 TYR 82 -1.203 10.175 -17.259 657 HE2 TYR 82 HE2 TYR 82 0.158 6.630 -19.179 658 HH TYR 82 HH TYR 82 -2.250 9.023 -19.140 659 H LEU 83 H LEU 83 1.424 7.694 -12.025 660 HA LEU 83 HA LEU 83 2.565 7.543 -10.021 661 1HB LEU 83 1HB LEU 83 0.867 5.620 -9.947 662 2HB LEU 83 2HB LEU 83 2.169 4.528 -10.313 663 HG LEU 83 HG LEU 83 1.891 6.298 -7.847 664 1HD1 LEU 83 1HD1 LEU 83 1.926 3.293 -8.241 665 2HD1 LEU 83 2HD1 LEU 83 0.504 4.242 -7.894 666 3HD1 LEU 83 3HD1 LEU 83 1.759 4.102 -6.687 667 1HD2 LEU 83 1HD2 LEU 83 4.213 4.420 -8.465 668 2HD2 LEU 83 2HD2 LEU 83 3.929 5.242 -6.948 669 3HD2 LEU 83 3HD2 LEU 83 4.317 6.171 -8.373 670 H LYS 84 H LYS 84 3.754 4.435 -11.274 671 HA LYS 84 HA LYS 84 6.433 4.815 -10.499 672 1HB LYS 84 1HB LYS 84 5.406 3.122 -12.828 673 2HB LYS 84 2HB LYS 84 7.011 3.033 -12.170 674 1HG LYS 84 1HG LYS 84 5.785 1.194 -11.225 675 2HG LYS 84 2HG LYS 84 6.098 2.346 -9.950 676 1HD LYS 84 1HD LYS 84 3.818 1.401 -9.856 677 2HD LYS 84 2HD LYS 84 3.771 3.133 -10.003 678 1HE LYS 84 1HE LYS 84 3.419 2.735 -12.548 679 2HE LYS 84 2HE LYS 84 3.272 1.033 -12.153 680 1HZ LYS 84 1HZ LYS 84 1.129 1.635 -12.015 681 2HZ LYS 84 2HZ LYS 84 1.471 3.240 -11.584 682 3HZ LYS 84 3HZ LYS 84 1.572 2.010 -10.418 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -10.994 -32.015 -5.560 2 2H GLY 1 2H GLY 1 -12.670 -31.739 -5.611 3 3H GLY 1 3H GLY 1 -12.042 -33.248 -6.077 4 1HA GLY 1 1HA GLY 1 -13.086 -33.173 -3.816 5 2HA GLY 1 2HA GLY 1 -11.440 -33.810 -3.893 6 H SER 2 H SER 2 -9.942 -31.605 -4.140 7 HA SER 2 HA SER 2 -10.615 -29.682 -1.988 8 1HB SER 2 1HB SER 2 -8.097 -31.435 -1.948 9 2HB SER 2 2HB SER 2 -8.426 -30.106 -0.824 10 HG SER 2 HG SER 2 -10.517 -31.256 -0.507 11 H MET 3 H MET 3 -9.316 -27.834 -2.000 12 HA MET 3 HA MET 3 -8.268 -26.027 -3.001 13 1HB MET 3 1HB MET 3 -6.601 -28.215 -4.362 14 2HB MET 3 2HB MET 3 -6.161 -26.524 -4.254 15 1HG MET 3 1HG MET 3 -6.182 -26.670 -1.782 16 2HG MET 3 2HG MET 3 -6.595 -28.358 -1.887 17 1HE MET 3 1HE MET 3 -3.948 -25.806 -3.236 18 2HE MET 3 2HE MET 3 -2.530 -26.421 -2.411 19 3HE MET 3 3HE MET 3 -3.876 -25.823 -1.457 20 H ALA 4 H ALA 4 -7.349 -25.342 -5.360 21 HA ALA 4 HA ALA 4 -9.162 -26.214 -7.522 22 1HB ALA 4 1HB ALA 4 -9.962 -23.881 -7.923 23 2HB ALA 4 2HB ALA 4 -9.095 -23.336 -6.494 24 3HB ALA 4 3HB ALA 4 -10.448 -24.443 -6.331 25 H GLN 5 H GLN 5 -7.020 -23.487 -6.766 26 HA GLN 5 HA GLN 5 -4.936 -24.355 -8.581 27 1HB GLN 5 1HB GLN 5 -6.631 -23.497 -10.228 28 2HB GLN 5 2HB GLN 5 -6.652 -21.953 -9.401 29 1HG GLN 5 1HG GLN 5 -4.219 -21.646 -9.937 30 2HG GLN 5 2HG GLN 5 -4.213 -23.202 -10.759 31 1HE2 GLN 5 1HE2 GLN 5 -5.483 -23.384 -12.762 32 2HE2 GLN 5 2HE2 GLN 5 -5.926 -21.994 -13.631 33 H ALA 6 H ALA 6 -6.325 -21.328 -7.415 34 HA ALA 6 HA ALA 6 -5.514 -19.580 -6.138 35 1HB ALA 6 1HB ALA 6 -3.689 -21.752 -4.989 36 2HB ALA 6 2HB ALA 6 -5.293 -21.337 -4.408 37 3HB ALA 6 3HB ALA 6 -3.979 -20.183 -4.261 38 H GLY 7 H GLY 7 -3.444 -18.385 -5.470 39 1HA GLY 7 1HA GLY 7 -0.933 -18.599 -6.583 40 2HA GLY 7 2HA GLY 7 -1.889 -17.907 -7.893 41 H GLU 8 H GLU 8 -2.448 -17.305 -4.537 42 HA GLU 8 HA GLU 8 -2.686 -15.365 -3.306 43 1HB GLU 8 1HB GLU 8 -0.521 -14.197 -2.943 44 2HB GLU 8 2HB GLU 8 -0.361 -15.934 -2.926 45 1HG GLU 8 1HG GLU 8 0.605 -15.919 -5.177 46 2HG GLU 8 2HG GLU 8 0.281 -14.201 -5.349 47 H VAL 9 H VAL 9 -2.146 -12.998 -3.147 48 HA VAL 9 HA VAL 9 -3.071 -11.580 -5.618 49 HB VAL 9 HB VAL 9 -4.166 -9.945 -4.030 50 1HG1 VAL 9 1HG1 VAL 9 -6.061 -11.458 -3.476 51 2HG1 VAL 9 2HG1 VAL 9 -5.037 -12.850 -3.794 52 3HG1 VAL 9 3HG1 VAL 9 -5.462 -11.755 -5.098 53 1HG2 VAL 9 1HG2 VAL 9 -3.566 -12.067 -1.911 54 2HG2 VAL 9 2HG2 VAL 9 -4.515 -10.624 -1.676 55 3HG2 VAL 9 3HG2 VAL 9 -2.790 -10.492 -1.965 56 H VAL 10 H VAL 10 -2.370 -9.502 -5.971 57 HA VAL 10 HA VAL 10 0.068 -8.572 -4.523 58 HB VAL 10 HB VAL 10 1.074 -8.035 -6.812 59 1HG1 VAL 10 1HG1 VAL 10 1.719 -10.121 -5.612 60 2HG1 VAL 10 2HG1 VAL 10 1.705 -10.376 -7.343 61 3HG1 VAL 10 3HG1 VAL 10 0.384 -10.978 -6.357 62 1HG2 VAL 10 1HG2 VAL 10 0.114 -9.166 -8.809 63 2HG2 VAL 10 2HG2 VAL 10 -1.062 -8.044 -8.165 64 3HG2 VAL 10 3HG2 VAL 10 -1.232 -9.761 -7.858 65 H LEU 11 H LEU 11 -1.817 -7.314 -3.623 66 HA LEU 11 HA LEU 11 -3.182 -5.317 -5.105 67 1HB LEU 11 1HB LEU 11 -2.510 -5.609 -2.173 68 2HB LEU 11 2HB LEU 11 -3.328 -4.177 -2.748 69 HG LEU 11 HG LEU 11 -5.136 -5.609 -3.721 70 1HD1 LEU 11 1HD1 LEU 11 -3.918 -7.720 -4.063 71 2HD1 LEU 11 2HD1 LEU 11 -5.305 -7.988 -3.031 72 3HD1 LEU 11 3HD1 LEU 11 -3.697 -7.905 -2.332 73 1HD2 LEU 11 1HD2 LEU 11 -5.441 -4.629 -1.499 74 2HD2 LEU 11 2HD2 LEU 11 -4.601 -5.969 -0.749 75 3HD2 LEU 11 3HD2 LEU 11 -6.159 -6.225 -1.526 76 H LYS 12 H LYS 12 -2.285 -3.845 -6.273 77 HA LYS 12 HA LYS 12 0.253 -2.518 -5.629 78 1HB LYS 12 1HB LYS 12 -0.555 -3.138 -8.003 79 2HB LYS 12 2HB LYS 12 -1.798 -1.929 -7.806 80 1HG LYS 12 1HG LYS 12 -0.090 -0.858 -9.056 81 2HG LYS 12 2HG LYS 12 -0.003 -0.182 -7.450 82 1HD LYS 12 1HD LYS 12 2.267 -0.634 -8.166 83 2HD LYS 12 2HD LYS 12 1.874 -1.819 -6.941 84 1HE LYS 12 1HE LYS 12 3.024 -2.854 -8.892 85 2HE LYS 12 2HE LYS 12 1.420 -3.530 -8.676 86 1HZ LYS 12 1HZ LYS 12 1.527 -1.200 -10.377 87 2HZ LYS 12 2HZ LYS 12 0.722 -2.679 -10.599 88 3HZ LYS 12 3HZ LYS 12 2.375 -2.545 -10.969 89 H MET 13 H MET 13 -0.436 -1.624 -3.583 90 HA MET 13 HA MET 13 -2.675 0.229 -3.468 91 1HB MET 13 1HB MET 13 -2.116 -1.109 -1.570 92 2HB MET 13 2HB MET 13 -0.475 -0.467 -1.601 93 1HG MET 13 1HG MET 13 -1.121 1.652 -0.868 94 2HG MET 13 2HG MET 13 -2.801 1.351 -1.208 95 1HE MET 13 1HE MET 13 -1.153 -1.227 2.178 96 2HE MET 13 2HE MET 13 0.063 -0.211 1.428 97 3HE MET 13 3HE MET 13 -0.839 -1.419 0.479 98 H LYS 14 H LYS 14 -2.619 2.092 -3.908 99 HA LYS 14 HA LYS 14 -0.086 3.682 -4.207 100 1HB LYS 14 1HB LYS 14 -1.542 3.077 -6.290 101 2HB LYS 14 2HB LYS 14 -2.646 4.249 -5.630 102 1HG LYS 14 1HG LYS 14 0.239 4.846 -6.387 103 2HG LYS 14 2HG LYS 14 -1.152 5.224 -7.378 104 1HD LYS 14 1HD LYS 14 -2.007 6.699 -5.477 105 2HD LYS 14 2HD LYS 14 -0.481 6.408 -4.650 106 1HE LYS 14 1HE LYS 14 -0.338 8.522 -5.881 107 2HE LYS 14 2HE LYS 14 0.744 7.354 -6.624 108 1HZ LYS 14 1HZ LYS 14 -2.008 7.646 -7.599 109 2HZ LYS 14 2HZ LYS 14 -0.634 7.063 -8.410 110 3HZ LYS 14 3HZ LYS 14 -0.795 8.725 -8.097 111 H VAL 15 H VAL 15 -0.306 4.061 -1.970 112 HA VAL 15 HA VAL 15 -2.556 5.376 -0.809 113 HB VAL 15 HB VAL 15 0.215 4.546 -0.020 114 1HG1 VAL 15 1HG1 VAL 15 -1.249 6.655 1.622 115 2HG1 VAL 15 2HG1 VAL 15 0.244 6.958 0.736 116 3HG1 VAL 15 3HG1 VAL 15 0.236 5.815 2.070 117 1HG2 VAL 15 1HG2 VAL 15 -1.813 3.261 0.540 118 2HG2 VAL 15 2HG2 VAL 15 -2.409 4.633 1.471 119 3HG2 VAL 15 3HG2 VAL 15 -0.956 3.791 1.984 120 H GLU 16 H GLU 16 -2.437 7.511 0.241 121 HA GLU 16 HA GLU 16 -1.357 9.544 -1.639 122 1HB GLU 16 1HB GLU 16 -3.832 9.434 -1.362 123 2HB GLU 16 2HB GLU 16 -3.636 9.623 0.369 124 1HG GLU 16 1HG GLU 16 -4.209 11.754 -0.689 125 2HG GLU 16 2HG GLU 16 -2.610 11.846 0.024 126 H GLY 17 H GLY 17 0.015 11.048 -0.858 127 1HA GLY 17 1HA GLY 17 1.371 10.570 1.608 128 2HA GLY 17 2HA GLY 17 1.686 11.891 0.505 129 H MET 18 H MET 18 -1.533 11.707 1.457 130 HA MET 18 HA MET 18 -2.936 12.968 2.750 131 1HB MET 18 1HB MET 18 -1.663 11.897 4.619 132 2HB MET 18 2HB MET 18 -0.511 13.217 4.601 133 1HG MET 18 1HG MET 18 -2.139 14.806 5.279 134 2HG MET 18 2HG MET 18 -3.466 13.721 4.970 135 1HE MET 18 1HE MET 18 -3.760 11.482 7.882 136 2HE MET 18 2HE MET 18 -3.527 11.389 6.151 137 3HE MET 18 3HE MET 18 -4.713 12.524 6.827 138 H THR 19 H THR 19 -3.611 15.034 3.059 139 HA THR 19 HA THR 19 -2.500 17.072 1.430 140 HB THR 19 HB THR 19 -4.233 18.568 2.597 141 HG1 THR 19 HG1 THR 19 -4.117 16.305 4.261 142 1HG2 THR 19 1HG2 THR 19 -5.272 15.721 2.069 143 2HG2 THR 19 2HG2 THR 19 -5.010 16.906 0.799 144 3HG2 THR 19 3HG2 THR 19 -6.224 17.196 2.033 145 H CYS 20 H CYS 20 -2.571 16.905 4.987 146 HA CYS 20 HA CYS 20 -0.817 19.169 5.285 147 1HB CYS 20 1HB CYS 20 -0.875 18.526 7.698 148 2HB CYS 20 2HB CYS 20 -2.442 18.747 6.977 149 H HIS 21 H HIS 21 -0.254 15.929 6.641 150 HA HIS 21 HA HIS 21 2.399 15.737 5.377 151 1HB HIS 21 1HB HIS 21 2.069 15.800 8.419 152 2HB HIS 21 2HB HIS 21 3.569 15.450 7.571 153 HD1 HIS 21 HD1 HIS 21 4.429 17.531 6.075 154 HD2 HIS 21 HD2 HIS 21 1.585 18.486 8.842 155 HE1 HIS 21 HE1 HIS 21 4.513 19.984 6.339 156 H SER 22 H SER 22 3.191 13.661 5.328 157 HA SER 22 HA SER 22 1.209 11.551 5.677 158 1HB SER 22 1HB SER 22 3.040 10.083 4.707 159 2HB SER 22 2HB SER 22 2.730 11.507 3.710 160 HG SER 22 HG SER 22 4.703 11.239 5.732 161 H CYS 23 H CYS 23 1.805 9.505 6.686 162 HA CYS 23 HA CYS 23 3.673 9.476 8.943 163 1HB CYS 23 1HB CYS 23 0.663 9.226 9.363 164 2HB CYS 23 2HB CYS 23 1.867 8.976 10.595 165 H THR 24 H THR 24 3.444 8.111 6.518 166 HA THR 24 HA THR 24 2.145 5.586 6.683 167 HB THR 24 HB THR 24 3.694 4.952 4.773 168 HG1 THR 24 HG1 THR 24 4.841 7.409 5.621 169 1HG2 THR 24 1HG2 THR 24 1.741 6.556 4.269 170 2HG2 THR 24 2HG2 THR 24 3.136 6.847 3.249 171 3HG2 THR 24 3HG2 THR 24 2.815 7.898 4.612 172 H SER 25 H SER 25 4.733 6.661 8.474 173 HA SER 25 HA SER 25 6.436 4.399 8.672 174 1HB SER 25 1HB SER 25 7.028 5.387 10.948 175 2HB SER 25 2HB SER 25 6.982 6.632 9.691 176 HG SER 25 HG SER 25 4.657 6.779 10.291 177 H THR 26 H THR 26 3.388 5.190 10.126 178 HA THR 26 HA THR 26 3.254 3.018 11.997 179 HB THR 26 HB THR 26 0.801 3.712 12.173 180 HG1 THR 26 HG1 THR 26 1.611 4.881 9.764 181 1HG2 THR 26 1HG2 THR 26 2.562 5.230 13.279 182 2HG2 THR 26 2HG2 THR 26 1.142 6.107 12.732 183 3HG2 THR 26 3HG2 THR 26 2.623 6.163 11.792 184 H ILE 27 H ILE 27 2.117 3.585 8.741 185 HA ILE 27 HA ILE 27 0.585 1.220 8.351 186 HB ILE 27 HB ILE 27 2.168 2.838 6.285 187 1HG1 ILE 27 1HG1 ILE 27 -0.741 3.102 7.186 188 2HG1 ILE 27 2HG1 ILE 27 0.540 4.217 7.615 189 1HG2 ILE 27 1HG2 ILE 27 1.485 0.627 5.433 190 2HG2 ILE 27 2HG2 ILE 27 0.559 1.872 4.640 191 3HG2 ILE 27 3HG2 ILE 27 -0.173 0.924 5.927 192 1HD1 ILE 27 1HD1 ILE 27 -0.450 3.679 4.778 193 2HD1 ILE 27 2HD1 ILE 27 0.882 4.739 5.186 194 3HD1 ILE 27 3HD1 ILE 27 -0.741 5.124 5.721 195 H GLU 28 H GLU 28 4.019 1.872 8.046 196 HA GLU 28 HA GLU 28 4.911 -0.380 6.701 197 1HB GLU 28 1HB GLU 28 6.169 1.725 7.444 198 2HB GLU 28 2HB GLU 28 6.324 0.997 9.020 199 1HG GLU 28 1HG GLU 28 7.441 -0.966 8.018 200 2HG GLU 28 2HG GLU 28 7.332 -0.189 6.437 201 H GLY 29 H GLY 29 5.073 0.091 10.162 202 1HA GLY 29 1HA GLY 29 5.563 -2.645 10.863 203 2HA GLY 29 2HA GLY 29 5.062 -1.384 11.980 204 H LYS 30 H LYS 30 2.625 -0.944 10.235 205 HA LYS 30 HA LYS 30 0.850 -2.683 11.705 206 1HB LYS 30 1HB LYS 30 0.137 -0.416 11.068 207 2HB LYS 30 2HB LYS 30 0.376 -0.775 9.372 208 1HG LYS 30 1HG LYS 30 -2.015 -0.851 9.939 209 2HG LYS 30 2HG LYS 30 -1.467 -2.432 9.436 210 1HD LYS 30 1HD LYS 30 -1.276 -3.117 11.848 211 2HD LYS 30 2HD LYS 30 -1.822 -1.519 12.334 212 1HE LYS 30 1HE LYS 30 -3.699 -3.137 12.351 213 2HE LYS 30 2HE LYS 30 -3.976 -1.917 11.116 214 1HZ LYS 30 1HZ LYS 30 -3.676 -3.387 9.461 215 2HZ LYS 30 2HZ LYS 30 -4.175 -4.492 10.651 216 3HZ LYS 30 3HZ LYS 30 -2.522 -4.303 10.304 217 H ILE 31 H ILE 31 1.896 -2.446 8.390 218 HA ILE 31 HA ILE 31 0.413 -4.705 7.422 219 HB ILE 31 HB ILE 31 2.733 -3.107 6.268 220 1HG1 ILE 31 1HG1 ILE 31 -0.264 -3.174 5.644 221 2HG1 ILE 31 2HG1 ILE 31 0.505 -1.937 6.605 222 1HG2 ILE 31 1HG2 ILE 31 2.661 -5.432 5.273 223 2HG2 ILE 31 2HG2 ILE 31 2.259 -4.185 4.130 224 3HG2 ILE 31 3HG2 ILE 31 0.983 -5.168 4.842 225 1HD1 ILE 31 1HD1 ILE 31 1.063 -2.517 3.665 226 2HD1 ILE 31 2HD1 ILE 31 1.916 -1.317 4.620 227 3HD1 ILE 31 3HD1 ILE 31 0.195 -1.140 4.305 228 H GLY 32 H GLY 32 3.638 -4.261 8.692 229 1HA GLY 32 1HA GLY 32 4.700 -6.792 7.914 230 2HA GLY 32 2HA GLY 32 5.367 -5.736 9.154 231 H LYS 33 H LYS 33 2.494 -5.811 10.216 232 HA LYS 33 HA LYS 33 2.881 -8.026 12.073 233 1HB LYS 33 1HB LYS 33 2.570 -5.735 12.848 234 2HB LYS 33 2HB LYS 33 0.964 -5.761 12.134 235 1HG LYS 33 1HG LYS 33 0.172 -7.396 13.692 236 2HG LYS 33 2HG LYS 33 1.796 -7.882 14.138 237 1HD LYS 33 1HD LYS 33 0.908 -6.605 15.946 238 2HD LYS 33 2HD LYS 33 2.121 -5.617 15.160 239 1HE LYS 33 1HE LYS 33 -0.870 -5.345 14.608 240 2HE LYS 33 2HE LYS 33 0.002 -4.345 15.757 241 1HZ LYS 33 1HZ LYS 33 1.525 -4.064 13.598 242 2HZ LYS 33 2HZ LYS 33 0.242 -3.027 13.999 243 3HZ LYS 33 3HZ LYS 33 0.004 -4.274 12.873 244 H LEU 34 H LEU 34 1.384 -7.726 9.154 245 HA LEU 34 HA LEU 34 -1.099 -8.988 9.821 246 1HB LEU 34 1HB LEU 34 0.171 -8.150 7.213 247 2HB LEU 34 2HB LEU 34 -1.413 -8.866 7.315 248 HG LEU 34 HG LEU 34 -0.562 -6.254 8.647 249 1HD1 LEU 34 1HD1 LEU 34 -0.760 -6.103 6.159 250 2HD1 LEU 34 2HD1 LEU 34 -2.038 -5.192 6.946 251 3HD1 LEU 34 3HD1 LEU 34 -2.380 -6.768 6.253 252 1HD2 LEU 34 1HD2 LEU 34 -2.385 -7.384 9.936 253 2HD2 LEU 34 2HD2 LEU 34 -3.326 -7.544 8.462 254 3HD2 LEU 34 3HD2 LEU 34 -2.989 -5.957 9.127 255 H GLN 35 H GLN 35 -1.250 -11.071 10.098 256 HA GLN 35 HA GLN 35 0.787 -12.941 9.306 257 1HB GLN 35 1HB GLN 35 -2.002 -13.265 10.488 258 2HB GLN 35 2HB GLN 35 -0.999 -14.648 10.104 259 1HG GLN 35 1HG GLN 35 -0.762 -14.027 12.494 260 2HG GLN 35 2HG GLN 35 0.762 -13.847 11.648 261 1HE2 GLN 35 1HE2 GLN 35 -2.140 -11.755 12.204 262 2HE2 GLN 35 2HE2 GLN 35 -1.239 -10.389 12.656 263 H GLY 36 H GLY 36 0.592 -14.611 7.765 264 1HA GLY 36 1HA GLY 36 -0.212 -15.701 5.859 265 2HA GLY 36 2HA GLY 36 -1.656 -14.706 5.941 266 H VAL 37 H VAL 37 1.311 -13.004 6.071 267 HA VAL 37 HA VAL 37 0.895 -12.023 3.332 268 HB VAL 37 HB VAL 37 2.238 -10.835 5.834 269 1HG1 VAL 37 1HG1 VAL 37 3.681 -10.337 3.807 270 2HG1 VAL 37 2HG1 VAL 37 2.868 -8.914 4.433 271 3HG1 VAL 37 3HG1 VAL 37 2.255 -9.712 2.989 272 1HG2 VAL 37 1HG2 VAL 37 0.557 -9.119 5.382 273 2HG2 VAL 37 2HG2 VAL 37 -0.204 -10.703 5.528 274 3HG2 VAL 37 3HG2 VAL 37 0.031 -9.979 3.944 275 H GLN 38 H GLN 38 2.354 -12.206 1.790 276 HA GLN 38 HA GLN 38 4.617 -14.054 2.297 277 1HB GLN 38 1HB GLN 38 3.222 -13.068 -0.233 278 2HB GLN 38 2HB GLN 38 4.769 -13.881 -0.318 279 1HG GLN 38 1HG GLN 38 3.294 -15.665 -0.605 280 2HG GLN 38 2HG GLN 38 3.594 -15.729 1.125 281 1HE2 GLN 38 1HE2 GLN 38 1.908 -14.724 2.553 282 2HE2 GLN 38 2HE2 GLN 38 0.298 -14.785 2.021 283 H ARG 39 H ARG 39 4.368 -11.486 -0.012 284 HA ARG 39 HA ARG 39 7.014 -10.448 0.885 285 1HB ARG 39 1HB ARG 39 6.496 -11.036 -1.618 286 2HB ARG 39 2HB ARG 39 5.520 -9.584 -1.618 287 1HG ARG 39 1HG ARG 39 7.641 -9.047 -2.582 288 2HG ARG 39 2HG ARG 39 7.441 -8.181 -1.083 289 1HD ARG 39 1HD ARG 39 8.987 -10.796 -1.229 290 2HD ARG 39 2HD ARG 39 9.760 -9.236 -1.491 291 HE ARG 39 HE ARG 39 8.423 -8.930 0.918 292 1HH1 ARG 39 1HH1 ARG 39 10.769 -11.140 -0.353 293 2HH1 ARG 39 2HH1 ARG 39 11.484 -11.438 1.195 294 1HH2 ARG 39 1HH2 ARG 39 9.305 -9.286 2.871 295 2HH2 ARG 39 2HH2 ARG 39 10.644 -10.370 3.052 296 H ILE 40 H ILE 40 7.317 -8.104 0.908 297 HA ILE 40 HA ILE 40 5.010 -6.372 1.251 298 HB ILE 40 HB ILE 40 5.031 -7.522 3.403 299 1HG1 ILE 40 1HG1 ILE 40 6.156 -4.691 3.609 300 2HG1 ILE 40 2HG1 ILE 40 4.472 -5.136 3.451 301 1HG2 ILE 40 1HG2 ILE 40 6.974 -7.556 4.936 302 2HG2 ILE 40 2HG2 ILE 40 7.966 -6.740 3.751 303 3HG2 ILE 40 3HG2 ILE 40 7.355 -8.353 3.432 304 1HD1 ILE 40 1HD1 ILE 40 4.983 -4.581 5.795 305 2HD1 ILE 40 2HD1 ILE 40 6.249 -5.788 5.845 306 3HD1 ILE 40 3HD1 ILE 40 4.575 -6.286 5.668 307 H LYS 41 H LYS 41 5.714 -4.693 0.071 308 HA LYS 41 HA LYS 41 8.125 -3.276 0.881 309 1HB LYS 41 1HB LYS 41 8.995 -3.431 -1.658 310 2HB LYS 41 2HB LYS 41 9.477 -4.584 -0.446 311 1HG LYS 41 1HG LYS 41 8.953 -5.813 -2.416 312 2HG LYS 41 2HG LYS 41 7.693 -6.145 -1.258 313 1HD LYS 41 1HD LYS 41 6.152 -4.639 -2.418 314 2HD LYS 41 2HD LYS 41 7.419 -4.136 -3.530 315 1HE LYS 41 1HE LYS 41 7.636 -6.553 -4.267 316 2HE LYS 41 2HE LYS 41 6.292 -6.960 -3.208 317 1HZ LYS 41 1HZ LYS 41 4.804 -5.966 -4.550 318 2HZ LYS 41 2HZ LYS 41 5.952 -6.407 -5.718 319 3HZ LYS 41 3HZ LYS 41 5.902 -4.811 -5.141 320 H VAL 42 H VAL 42 8.178 -1.260 0.352 321 HA VAL 42 HA VAL 42 5.918 -0.159 -1.228 322 HB VAL 42 HB VAL 42 7.592 1.125 0.973 323 1HG1 VAL 42 1HG1 VAL 42 5.903 2.920 0.960 324 2HG1 VAL 42 2HG1 VAL 42 5.084 2.186 -0.410 325 3HG1 VAL 42 3HG1 VAL 42 6.706 2.846 -0.578 326 1HG2 VAL 42 1HG2 VAL 42 4.737 0.061 1.043 327 2HG2 VAL 42 2HG2 VAL 42 5.537 0.908 2.357 328 3HG2 VAL 42 3HG2 VAL 42 6.119 -0.663 1.846 329 H SER 43 H SER 43 6.174 1.687 -2.375 330 HA SER 43 HA SER 43 8.896 2.348 -3.430 331 1HB SER 43 1HB SER 43 7.711 0.686 -4.979 332 2HB SER 43 2HB SER 43 6.438 1.894 -5.208 333 HG SER 43 HG SER 43 9.105 2.706 -5.427 334 H LEU 44 H LEU 44 8.617 4.263 -4.933 335 HA LEU 44 HA LEU 44 7.661 6.504 -3.394 336 1HB LEU 44 1HB LEU 44 8.689 6.275 -6.268 337 2HB LEU 44 2HB LEU 44 8.351 7.809 -5.497 338 HG LEU 44 HG LEU 44 10.028 7.304 -3.719 339 1HD1 LEU 44 1HD1 LEU 44 11.724 5.535 -4.126 340 2HD1 LEU 44 2HD1 LEU 44 10.776 4.920 -5.469 341 3HD1 LEU 44 3HD1 LEU 44 10.162 4.828 -3.823 342 1HD2 LEU 44 1HD2 LEU 44 11.059 7.259 -6.582 343 2HD2 LEU 44 2HD2 LEU 44 11.994 7.737 -5.174 344 3HD2 LEU 44 3HD2 LEU 44 10.609 8.691 -5.671 345 H ASP 45 H ASP 45 6.632 7.988 -5.859 346 HA ASP 45 HA ASP 45 4.526 8.597 -6.657 347 1HB ASP 45 1HB ASP 45 4.091 5.558 -6.818 348 2HB ASP 45 2HB ASP 45 3.286 6.780 -7.779 349 H ASN 46 H ASN 46 4.636 8.893 -4.099 350 HA ASN 46 HA ASN 46 3.472 9.080 -2.101 351 1HB ASN 46 1HB ASN 46 1.067 8.496 -3.922 352 2HB ASN 46 2HB ASN 46 0.978 9.143 -2.292 353 1HD2 ASN 46 1HD2 ASN 46 0.795 11.343 -2.211 354 2HD2 ASN 46 2HD2 ASN 46 1.379 12.424 -3.381 355 H GLN 47 H GLN 47 4.464 7.250 -1.243 356 HA GLN 47 HA GLN 47 4.690 5.051 -0.498 357 1HB GLN 47 1HB GLN 47 3.246 6.471 1.078 358 2HB GLN 47 2HB GLN 47 1.869 5.748 0.313 359 1HG GLN 47 1HG GLN 47 2.183 4.528 2.365 360 2HG GLN 47 2HG GLN 47 2.717 3.449 1.098 361 1HE2 GLN 47 1HE2 GLN 47 5.042 5.944 1.576 362 2HE2 GLN 47 2HE2 GLN 47 6.081 5.065 2.589 363 H GLU 48 H GLU 48 4.387 4.548 -2.990 364 HA GLU 48 HA GLU 48 1.975 3.034 -3.618 365 1HB GLU 48 1HB GLU 48 3.174 4.031 -5.516 366 2HB GLU 48 2HB GLU 48 4.682 3.285 -5.027 367 1HG GLU 48 1HG GLU 48 3.518 2.199 -7.018 368 2HG GLU 48 2HG GLU 48 4.005 1.106 -5.751 369 H ALA 49 H ALA 49 1.837 1.642 -1.923 370 HA ALA 49 HA ALA 49 4.019 -0.217 -1.350 371 1HB ALA 49 1HB ALA 49 2.452 -0.980 0.416 372 2HB ALA 49 2HB ALA 49 1.198 0.036 -0.292 373 3HB ALA 49 3HB ALA 49 2.619 0.766 0.432 374 H THR 50 H THR 50 4.032 -2.404 -1.911 375 HA THR 50 HA THR 50 1.716 -3.436 -3.472 376 HB THR 50 HB THR 50 4.661 -3.576 -4.281 377 HG1 THR 50 HG1 THR 50 2.444 -1.967 -4.938 378 1HG2 THR 50 1HG2 THR 50 2.049 -4.186 -5.839 379 2HG2 THR 50 2HG2 THR 50 3.062 -5.462 -5.196 380 3HG2 THR 50 3HG2 THR 50 3.675 -4.411 -6.462 381 H ILE 51 H ILE 51 1.477 -4.235 -1.264 382 HA ILE 51 HA ILE 51 3.271 -6.255 -0.216 383 HB ILE 51 HB ILE 51 0.334 -5.713 0.478 384 1HG1 ILE 51 1HG1 ILE 51 1.147 -4.633 2.496 385 2HG1 ILE 51 2HG1 ILE 51 2.821 -4.858 2.011 386 1HG2 ILE 51 1HG2 ILE 51 1.073 -7.982 1.181 387 2HG2 ILE 51 2HG2 ILE 51 0.828 -6.940 2.568 388 3HG2 ILE 51 3HG2 ILE 51 2.456 -7.270 1.999 389 1HD1 ILE 51 1HD1 ILE 51 0.762 -3.166 0.581 390 2HD1 ILE 51 2HD1 ILE 51 2.463 -3.309 0.132 391 3HD1 ILE 51 3HD1 ILE 51 2.025 -2.587 1.661 392 H VAL 52 H VAL 52 3.145 -8.468 -0.508 393 HA VAL 52 HA VAL 52 1.081 -9.517 -2.351 394 HB VAL 52 HB VAL 52 3.872 -10.575 -1.788 395 1HG1 VAL 52 1HG1 VAL 52 2.301 -12.301 -2.411 396 2HG1 VAL 52 2HG1 VAL 52 3.460 -12.031 -3.704 397 3HG1 VAL 52 3HG1 VAL 52 1.819 -11.401 -3.842 398 1HG2 VAL 52 1HG2 VAL 52 4.405 -9.746 -4.101 399 2HG2 VAL 52 2HG2 VAL 52 3.950 -8.414 -3.047 400 3HG2 VAL 52 3HG2 VAL 52 2.793 -9.044 -4.204 401 H TYR 53 H TYR 53 -0.063 -11.148 -1.568 402 HA TYR 53 HA TYR 53 0.816 -12.734 0.692 403 1HB TYR 53 1HB TYR 53 -0.979 -11.975 2.268 404 2HB TYR 53 2HB TYR 53 0.136 -10.668 1.898 405 HD1 TYR 53 HD1 TYR 53 -3.265 -11.868 1.745 406 HD2 TYR 53 HD2 TYR 53 -0.640 -8.848 0.275 407 HE1 TYR 53 HE1 TYR 53 -5.184 -10.500 1.099 408 HE2 TYR 53 HE2 TYR 53 -2.567 -7.481 -0.363 409 HH TYR 53 HH TYR 53 -5.412 -7.695 0.767 410 H GLN 54 H GLN 54 -0.946 -14.132 1.555 411 HA GLN 54 HA GLN 54 -2.483 -15.218 -0.736 412 1HB GLN 54 1HB GLN 54 -2.583 -17.269 0.552 413 2HB GLN 54 2HB GLN 54 -0.938 -16.686 0.554 414 1HG GLN 54 1HG GLN 54 -1.811 -15.491 2.843 415 2HG GLN 54 2HG GLN 54 -2.904 -16.855 2.788 416 1HE2 GLN 54 1HE2 GLN 54 0.241 -15.863 3.620 417 2HE2 GLN 54 2HE2 GLN 54 0.904 -17.385 3.950 418 HA PRO 55 HA PRO 55 -5.857 -12.921 0.916 419 1HB PRO 55 1HB PRO 55 -7.899 -13.836 -0.702 420 2HB PRO 55 2HB PRO 55 -6.678 -12.672 -1.203 421 1HG PRO 55 1HG PRO 55 -6.840 -15.609 -1.789 422 2HG PRO 55 2HG PRO 55 -6.252 -14.313 -2.817 423 1HD PRO 55 1HD PRO 55 -4.590 -16.050 -1.388 424 2HD PRO 55 2HD PRO 55 -4.104 -14.424 -1.910 425 H HIS 56 H HIS 56 -6.257 -16.382 0.605 426 HA HIS 56 HA HIS 56 -8.609 -16.765 2.106 427 1HB HIS 56 1HB HIS 56 -7.872 -19.083 2.392 428 2HB HIS 56 2HB HIS 56 -7.471 -18.540 0.774 429 HD1 HIS 56 HD1 HIS 56 -5.109 -19.002 0.170 430 HD2 HIS 56 HD2 HIS 56 -5.457 -18.810 4.244 431 HE1 HIS 56 HE1 HIS 56 -2.892 -19.569 1.089 432 H LEU 57 H LEU 57 -5.356 -16.183 3.288 433 HA LEU 57 HA LEU 57 -5.973 -17.016 5.983 434 1HB LEU 57 1HB LEU 57 -3.616 -16.122 4.571 435 2HB LEU 57 2HB LEU 57 -3.829 -15.003 5.880 436 HG LEU 57 HG LEU 57 -2.409 -16.603 6.819 437 1HD1 LEU 57 1HD1 LEU 57 -3.650 -17.856 8.498 438 2HD1 LEU 57 2HD1 LEU 57 -5.144 -17.641 7.626 439 3HD1 LEU 57 3HD1 LEU 57 -4.334 -16.242 8.316 440 1HD2 LEU 57 1HD2 LEU 57 -4.061 -18.853 5.650 441 2HD2 LEU 57 2HD2 LEU 57 -2.610 -19.026 6.604 442 3HD2 LEU 57 3HD2 LEU 57 -2.519 -18.287 5.017 443 H ILE 58 H ILE 58 -5.680 -14.000 4.280 444 HA ILE 58 HA ILE 58 -7.807 -12.688 5.674 445 HB ILE 58 HB ILE 58 -6.155 -12.551 7.478 446 1HG1 ILE 58 1HG1 ILE 58 -6.415 -9.798 6.179 447 2HG1 ILE 58 2HG1 ILE 58 -7.724 -10.596 7.030 448 1HG2 ILE 58 1HG2 ILE 58 -3.984 -11.324 7.143 449 2HG2 ILE 58 2HG2 ILE 58 -4.365 -11.111 5.445 450 3HG2 ILE 58 3HG2 ILE 58 -4.080 -12.718 6.088 451 1HD1 ILE 58 1HD1 ILE 58 -6.327 -10.623 9.087 452 2HD1 ILE 58 2HD1 ILE 58 -6.571 -8.993 8.476 453 3HD1 ILE 58 3HD1 ILE 58 -5.035 -9.801 8.216 454 H SER 59 H SER 59 -8.055 -10.475 4.960 455 HA SER 59 HA SER 59 -6.863 -9.969 2.254 456 1HB SER 59 1HB SER 59 -9.568 -9.104 3.369 457 2HB SER 59 2HB SER 59 -8.949 -8.753 1.741 458 HG SER 59 HG SER 59 -9.212 -11.339 2.885 459 H VAL 60 H VAL 60 -5.376 -8.486 2.384 460 HA VAL 60 HA VAL 60 -5.109 -6.632 4.542 461 HB VAL 60 HB VAL 60 -3.816 -6.706 1.794 462 1HG1 VAL 60 1HG1 VAL 60 -3.435 -4.504 2.961 463 2HG1 VAL 60 2HG1 VAL 60 -1.947 -5.419 2.873 464 3HG1 VAL 60 3HG1 VAL 60 -2.857 -5.356 4.374 465 1HG2 VAL 60 1HG2 VAL 60 -1.953 -7.919 2.977 466 2HG2 VAL 60 2HG2 VAL 60 -3.459 -8.810 3.098 467 3HG2 VAL 60 3HG2 VAL 60 -2.884 -7.879 4.464 468 H GLU 61 H GLU 61 -7.002 -6.724 1.760 469 HA GLU 61 HA GLU 61 -7.226 -4.024 0.966 470 1HB GLU 61 1HB GLU 61 -8.155 -6.200 -0.102 471 2HB GLU 61 2HB GLU 61 -9.475 -6.078 1.034 472 1HG GLU 61 1HG GLU 61 -8.696 -3.990 -1.034 473 2HG GLU 61 2HG GLU 61 -10.052 -5.096 -1.167 474 H GLU 62 H GLU 62 -8.726 -5.878 3.526 475 HA GLU 62 HA GLU 62 -10.569 -3.871 4.428 476 1HB GLU 62 1HB GLU 62 -10.661 -6.336 4.947 477 2HB GLU 62 2HB GLU 62 -9.216 -6.170 5.910 478 1HG GLU 62 1HG GLU 62 -10.410 -4.572 7.439 479 2HG GLU 62 2HG GLU 62 -11.862 -4.736 6.465 480 H MET 63 H MET 63 -7.305 -4.811 5.198 481 HA MET 63 HA MET 63 -6.831 -2.980 7.309 482 1HB MET 63 1HB MET 63 -4.849 -4.155 5.405 483 2HB MET 63 2HB MET 63 -4.449 -3.408 6.927 484 1HG MET 63 1HG MET 63 -6.158 -5.891 6.578 485 2HG MET 63 2HG MET 63 -4.507 -5.861 7.107 486 1HE MET 63 1HE MET 63 -8.220 -5.675 9.515 487 2HE MET 63 2HE MET 63 -8.005 -5.939 7.807 488 3HE MET 63 3HE MET 63 -8.141 -4.284 8.432 489 H LYS 64 H LYS 64 -6.840 -2.669 3.839 490 HA LYS 64 HA LYS 64 -5.346 -0.192 3.749 491 1HB LYS 64 1HB LYS 64 -6.786 -1.899 1.782 492 2HB LYS 64 2HB LYS 64 -6.996 -0.194 1.445 493 1HG LYS 64 1HG LYS 64 -5.003 -0.710 0.305 494 2HG LYS 64 2HG LYS 64 -4.449 0.020 1.786 495 1HD LYS 64 1HD LYS 64 -3.082 -1.879 1.748 496 2HD LYS 64 2HD LYS 64 -4.414 -2.486 2.692 497 1HE LYS 64 1HE LYS 64 -3.875 -4.123 0.921 498 2HE LYS 64 2HE LYS 64 -5.421 -3.390 0.534 499 1HZ LYS 64 1HZ LYS 64 -3.599 -1.735 -0.611 500 2HZ LYS 64 2HZ LYS 64 -4.545 -2.900 -1.403 501 3HZ LYS 64 3HZ LYS 64 -2.972 -3.289 -0.892 502 H LYS 65 H LYS 65 -8.711 -1.048 4.255 503 HA LYS 65 HA LYS 65 -9.769 1.535 3.765 504 1HB LYS 65 1HB LYS 65 -11.097 -0.598 3.952 505 2HB LYS 65 2HB LYS 65 -10.709 -0.677 5.652 506 1HG LYS 65 1HG LYS 65 -12.055 1.810 4.572 507 2HG LYS 65 2HG LYS 65 -13.023 0.375 4.820 508 1HD LYS 65 1HD LYS 65 -12.540 0.314 7.178 509 2HD LYS 65 2HD LYS 65 -11.306 1.548 7.069 510 1HE LYS 65 1HE LYS 65 -14.256 1.988 6.466 511 2HE LYS 65 2HE LYS 65 -13.428 2.479 7.938 512 1HZ LYS 65 1HZ LYS 65 -11.847 3.628 6.223 513 2HZ LYS 65 2HZ LYS 65 -13.280 4.374 6.743 514 3HZ LYS 65 3HZ LYS 65 -13.234 3.579 5.244 515 H GLN 66 H GLN 66 -8.170 0.061 6.483 516 HA GLN 66 HA GLN 66 -8.755 2.044 8.414 517 1HB GLN 66 1HB GLN 66 -6.252 0.301 8.275 518 2HB GLN 66 2HB GLN 66 -7.039 0.916 9.710 519 1HG GLN 66 1HG GLN 66 -8.243 -1.154 7.821 520 2HG GLN 66 2HG GLN 66 -7.535 -1.496 9.370 521 1HE2 GLN 66 1HE2 GLN 66 -10.360 -0.288 7.738 522 2HE2 GLN 66 2HE2 GLN 66 -11.325 -0.072 9.118 523 H ILE 67 H ILE 67 -6.206 1.594 6.059 524 HA ILE 67 HA ILE 67 -4.524 3.772 6.835 525 HB ILE 67 HB ILE 67 -4.959 2.329 4.195 526 1HG1 ILE 67 1HG1 ILE 67 -2.848 2.054 6.378 527 2HG1 ILE 67 2HG1 ILE 67 -4.170 0.948 6.145 528 1HG2 ILE 67 1HG2 ILE 67 -3.918 4.513 3.752 529 2HG2 ILE 67 2HG2 ILE 67 -2.738 3.251 3.507 530 3HG2 ILE 67 3HG2 ILE 67 -2.700 4.210 4.981 531 1HD1 ILE 67 1HD1 ILE 67 -1.915 1.412 4.143 532 2HD1 ILE 67 2HD1 ILE 67 -3.285 0.349 3.877 533 3HD1 ILE 67 3HD1 ILE 67 -2.136 -0.002 5.151 534 H GLU 68 H GLU 68 -7.325 3.405 4.906 535 HA GLU 68 HA GLU 68 -7.337 6.155 3.861 536 1HB GLU 68 1HB GLU 68 -9.237 3.827 3.673 537 2HB GLU 68 2HB GLU 68 -9.487 5.368 2.880 538 1HG GLU 68 1HG GLU 68 -7.362 5.093 1.639 539 2HG GLU 68 2HG GLU 68 -6.955 3.649 2.526 540 H ALA 69 H ALA 69 -8.520 4.485 6.566 541 HA ALA 69 HA ALA 69 -10.711 6.310 7.176 542 1HB ALA 69 1HB ALA 69 -10.794 5.074 9.328 543 2HB ALA 69 2HB ALA 69 -9.289 4.266 8.926 544 3HB ALA 69 3HB ALA 69 -10.733 3.957 7.974 545 H MET 70 H MET 70 -7.351 5.857 8.131 546 HA MET 70 HA MET 70 -7.342 7.882 10.120 547 1HB MET 70 1HB MET 70 -4.909 7.420 10.112 548 2HB MET 70 2HB MET 70 -5.862 5.959 10.205 549 1HG MET 70 1HG MET 70 -5.549 5.632 7.794 550 2HG MET 70 2HG MET 70 -4.522 7.033 7.730 551 1HE MET 70 1HE MET 70 -2.138 7.172 8.485 552 2HE MET 70 2HE MET 70 -2.196 6.270 6.949 553 3HE MET 70 3HE MET 70 -1.146 5.748 8.256 554 H GLY 71 H GLY 71 -7.323 7.999 6.753 555 1HA GLY 71 1HA GLY 71 -7.617 10.292 5.850 556 2HA GLY 71 2HA GLY 71 -6.247 10.793 6.804 557 H PHE 72 H PHE 72 -5.680 7.804 5.250 558 HA PHE 72 HA PHE 72 -4.159 9.218 3.086 559 1HB PHE 72 1HB PHE 72 -3.526 6.518 4.392 560 2HB PHE 72 2HB PHE 72 -2.710 7.233 3.042 561 HD1 PHE 72 HD1 PHE 72 -0.662 8.129 3.580 562 HD2 PHE 72 HD2 PHE 72 -3.810 8.517 6.429 563 HE1 PHE 72 HE1 PHE 72 0.825 9.362 5.062 564 HE2 PHE 72 HE2 PHE 72 -2.318 9.745 7.907 565 HZ PHE 72 HZ PHE 72 -0.008 10.185 7.246 566 HA PRO 73 HA PRO 73 -7.467 6.963 0.718 567 1HB PRO 73 1HB PRO 73 -6.353 8.567 -1.446 568 2HB PRO 73 2HB PRO 73 -8.012 8.423 -0.880 569 1HG PRO 73 1HG PRO 73 -6.231 10.615 -0.394 570 2HG PRO 73 2HG PRO 73 -7.821 10.386 0.314 571 1HD PRO 73 1HD PRO 73 -5.264 10.184 1.645 572 2HD PRO 73 2HD PRO 73 -6.865 9.924 2.355 573 H ALA 74 H ALA 74 -6.987 5.182 -0.224 574 HA ALA 74 HA ALA 74 -4.271 4.702 -1.377 575 1HB ALA 74 1HB ALA 74 -5.826 2.821 0.449 576 2HB ALA 74 2HB ALA 74 -4.399 3.739 0.898 577 3HB ALA 74 3HB ALA 74 -4.278 2.467 -0.301 578 H PHE 75 H PHE 75 -4.659 4.670 -3.347 579 HA PHE 75 HA PHE 75 -7.019 3.409 -4.533 580 1HB PHE 75 1HB PHE 75 -4.626 4.717 -5.925 581 2HB PHE 75 2HB PHE 75 -6.193 4.376 -6.638 582 HD1 PHE 75 HD1 PHE 75 -4.268 6.755 -4.753 583 HD2 PHE 75 HD2 PHE 75 -8.266 5.518 -5.568 584 HE1 PHE 75 HE1 PHE 75 -5.100 8.907 -3.933 585 HE2 PHE 75 HE2 PHE 75 -9.093 7.677 -4.747 586 HZ PHE 75 HZ PHE 75 -7.514 9.375 -3.928 587 H VAL 76 H VAL 76 -6.780 1.276 -4.083 588 HA VAL 76 HA VAL 76 -4.352 -0.211 -4.839 589 HB VAL 76 HB VAL 76 -7.040 -1.242 -3.787 590 1HG1 VAL 76 1HG1 VAL 76 -4.259 -2.499 -3.808 591 2HG1 VAL 76 2HG1 VAL 76 -5.594 -2.997 -4.833 592 3HG1 VAL 76 3HG1 VAL 76 -5.700 -3.217 -3.101 593 1HG2 VAL 76 1HG2 VAL 76 -4.515 -0.531 -2.229 594 2HG2 VAL 76 2HG2 VAL 76 -5.965 -1.270 -1.564 595 3HG2 VAL 76 3HG2 VAL 76 -6.022 0.368 -2.182 596 H LYS 77 H LYS 77 -4.653 0.631 -7.031 597 HA LYS 77 HA LYS 77 -6.615 -0.898 -8.688 598 1HB LYS 77 1HB LYS 77 -6.726 1.573 -8.834 599 2HB LYS 77 2HB LYS 77 -5.032 1.646 -9.260 600 1HG LYS 77 1HG LYS 77 -5.521 0.341 -11.356 601 2HG LYS 77 2HG LYS 77 -7.215 0.278 -10.901 602 1HD LYS 77 1HD LYS 77 -7.369 2.737 -10.995 603 2HD LYS 77 2HD LYS 77 -5.653 2.863 -11.335 604 1HE LYS 77 1HE LYS 77 -7.668 1.443 -13.130 605 2HE LYS 77 2HE LYS 77 -7.026 3.055 -13.411 606 1HZ LYS 77 1HZ LYS 77 -5.639 0.469 -13.534 607 2HZ LYS 77 2HZ LYS 77 -4.762 1.896 -13.256 608 3HZ LYS 77 3HZ LYS 77 -5.678 1.726 -14.676 609 H LYS 78 H LYS 78 -5.286 -2.760 -8.452 610 HA LYS 78 HA LYS 78 -2.592 -2.895 -9.378 611 1HB LYS 78 1HB LYS 78 -3.171 -5.470 -9.461 612 2HB LYS 78 2HB LYS 78 -3.111 -4.664 -7.916 613 1HG LYS 78 1HG LYS 78 -5.768 -4.713 -9.340 614 2HG LYS 78 2HG LYS 78 -5.194 -6.215 -8.646 615 1HD LYS 78 1HD LYS 78 -5.092 -5.322 -6.439 616 2HD LYS 78 2HD LYS 78 -5.204 -3.663 -6.966 617 1HE LYS 78 1HE LYS 78 -7.418 -5.741 -7.243 618 2HE LYS 78 2HE LYS 78 -7.355 -4.483 -6.015 619 1HZ LYS 78 1HZ LYS 78 -7.076 -2.983 -8.133 620 2HZ LYS 78 2HZ LYS 78 -8.606 -3.447 -7.558 621 3HZ LYS 78 3HZ LYS 78 -7.904 -4.270 -8.869 622 H GLN 79 H GLN 79 -2.471 -1.979 -11.317 623 HA GLN 79 HA GLN 79 -3.423 -3.578 -13.638 624 1HB GLN 79 1HB GLN 79 -4.951 -1.633 -13.372 625 2HB GLN 79 2HB GLN 79 -3.578 -0.540 -13.427 626 1HG GLN 79 1HG GLN 79 -3.003 -1.470 -15.712 627 2HG GLN 79 2HG GLN 79 -4.463 -2.443 -15.651 628 1HE2 GLN 79 1HE2 GLN 79 -6.556 -1.247 -15.573 629 2HE2 GLN 79 2HE2 GLN 79 -6.640 0.327 -16.203 630 HA PRO 80 HA PRO 80 1.073 -2.882 -14.072 631 1HB PRO 80 1HB PRO 80 1.256 -4.854 -16.122 632 2HB PRO 80 2HB PRO 80 1.680 -5.039 -14.428 633 1HG PRO 80 1HG PRO 80 -0.616 -6.125 -15.846 634 2HG PRO 80 2HG PRO 80 -0.077 -6.473 -14.211 635 1HD PRO 80 1HD PRO 80 -2.330 -4.860 -15.016 636 2HD PRO 80 2HD PRO 80 -1.774 -5.176 -13.362 637 H LYS 81 H LYS 81 -1.511 -2.711 -16.298 638 HA LYS 81 HA LYS 81 -0.125 -1.806 -18.640 639 1HB LYS 81 1HB LYS 81 -2.977 -1.100 -17.803 640 2HB LYS 81 2HB LYS 81 -2.311 -1.029 -19.417 641 1HG LYS 81 1HG LYS 81 -1.966 -3.469 -19.433 642 2HG LYS 81 2HG LYS 81 -2.582 -3.589 -17.793 643 1HD LYS 81 1HD LYS 81 -4.766 -2.635 -18.545 644 2HD LYS 81 2HD LYS 81 -4.161 -2.555 -20.189 645 1HE LYS 81 1HE LYS 81 -4.436 -5.118 -18.556 646 2HE LYS 81 2HE LYS 81 -5.532 -4.602 -19.829 647 1HZ LYS 81 1HZ LYS 81 -4.107 -6.046 -20.880 648 2HZ LYS 81 2HZ LYS 81 -2.734 -5.479 -20.055 649 3HZ LYS 81 3HZ LYS 81 -3.448 -4.528 -21.269 650 H TYR 82 H TYR 82 -1.982 0.055 -16.232 651 HA TYR 82 HA TYR 82 -0.049 2.290 -16.469 652 1HB TYR 82 1HB TYR 82 -3.053 2.697 -16.906 653 2HB TYR 82 2HB TYR 82 -1.832 3.954 -16.891 654 HD1 TYR 82 HD1 TYR 82 -0.038 3.953 -18.691 655 HD2 TYR 82 HD2 TYR 82 -3.430 1.382 -18.878 656 HE1 TYR 82 HE1 TYR 82 0.368 3.586 -21.076 657 HE2 TYR 82 HE2 TYR 82 -3.020 1.018 -21.263 658 HH TYR 82 HH TYR 82 -1.823 2.411 -23.157 659 H LEU 83 H LEU 83 0.583 2.294 -14.438 660 HA LEU 83 HA LEU 83 -1.076 3.397 -12.371 661 1HB LEU 83 1HB LEU 83 -1.801 0.900 -12.409 662 2HB LEU 83 2HB LEU 83 -0.190 0.469 -11.928 663 HG LEU 83 HG LEU 83 -1.642 0.473 -9.981 664 1HD1 LEU 83 1HD1 LEU 83 0.622 1.316 -9.492 665 2HD1 LEU 83 2HD1 LEU 83 -0.583 2.040 -8.445 666 3HD1 LEU 83 3HD1 LEU 83 0.079 2.967 -9.769 667 1HD2 LEU 83 1HD2 LEU 83 -2.341 3.360 -10.660 668 2HD2 LEU 83 2HD2 LEU 83 -2.874 2.491 -9.235 669 3HD2 LEU 83 3HD2 LEU 83 -3.406 1.975 -10.827 670 H LYS 84 H LYS 84 1.500 1.020 -11.930 671 HA LYS 84 HA LYS 84 3.712 2.844 -11.983 672 1HB LYS 84 1HB LYS 84 2.449 3.562 -9.824 673 2HB LYS 84 2HB LYS 84 2.788 1.979 -9.177 674 1HG LYS 84 1HG LYS 84 4.910 3.976 -10.069 675 2HG LYS 84 2HG LYS 84 4.373 3.767 -8.418 676 1HD LYS 84 1HD LYS 84 5.132 1.344 -8.538 677 2HD LYS 84 2HD LYS 84 5.812 1.692 -10.120 678 1HE LYS 84 1HE LYS 84 7.260 3.427 -9.190 679 2HE LYS 84 2HE LYS 84 6.605 3.120 -7.584 680 1HZ LYS 84 1HZ LYS 84 8.710 1.970 -8.048 681 2HZ LYS 84 2HZ LYS 84 7.931 1.072 -9.263 682 3HZ LYS 84 3HZ LYS 84 7.444 0.914 -7.642 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -11.339 -21.014 -8.472 2 2H GLY 1 2H GLY 1 -11.737 -20.549 -10.056 3 3H GLY 1 3H GLY 1 -10.284 -20.018 -9.355 4 1HA GLY 1 1HA GLY 1 -10.962 -22.835 -9.983 5 2HA GLY 1 2HA GLY 1 -9.903 -21.800 -10.945 6 H SER 2 H SER 2 -7.903 -22.420 -10.623 7 HA SER 2 HA SER 2 -5.875 -22.959 -9.664 8 1HB SER 2 1HB SER 2 -6.271 -20.836 -8.353 9 2HB SER 2 2HB SER 2 -7.066 -21.777 -7.083 10 HG SER 2 HG SER 2 -4.403 -21.839 -7.955 11 H MET 3 H MET 3 -4.790 -24.326 -8.074 12 HA MET 3 HA MET 3 -6.355 -26.217 -6.486 13 1HB MET 3 1HB MET 3 -6.546 -27.074 -8.878 14 2HB MET 3 2HB MET 3 -4.806 -27.203 -8.952 15 1HG MET 3 1HG MET 3 -6.672 -28.725 -7.116 16 2HG MET 3 2HG MET 3 -5.818 -29.360 -8.488 17 1HE MET 3 1HE MET 3 -5.814 -28.167 -4.976 18 2HE MET 3 2HE MET 3 -4.487 -29.015 -4.225 19 3HE MET 3 3HE MET 3 -5.871 -29.932 -4.823 20 H ALA 4 H ALA 4 -3.275 -26.211 -8.208 21 HA ALA 4 HA ALA 4 -1.790 -26.353 -5.611 22 1HB ALA 4 1HB ALA 4 -0.044 -27.581 -6.885 23 2HB ALA 4 2HB ALA 4 -1.009 -27.441 -8.346 24 3HB ALA 4 3HB ALA 4 -1.587 -28.408 -7.000 25 H GLN 5 H GLN 5 -2.228 -24.774 -8.626 26 HA GLN 5 HA GLN 5 0.213 -23.322 -8.851 27 1HB GLN 5 1HB GLN 5 -1.455 -23.594 -10.679 28 2HB GLN 5 2HB GLN 5 -2.609 -22.619 -9.801 29 1HG GLN 5 1HG GLN 5 0.116 -21.572 -10.698 30 2HG GLN 5 2HG GLN 5 -1.341 -21.400 -11.660 31 1HE2 GLN 5 1HE2 GLN 5 0.544 -19.760 -9.452 32 2HE2 GLN 5 2HE2 GLN 5 -0.628 -18.693 -8.841 33 H ALA 6 H ALA 6 -2.931 -22.191 -7.712 34 HA ALA 6 HA ALA 6 -3.593 -20.520 -6.250 35 1HB ALA 6 1HB ALA 6 -2.267 -20.403 -4.124 36 2HB ALA 6 2HB ALA 6 -0.992 -21.351 -4.869 37 3HB ALA 6 3HB ALA 6 -2.576 -22.057 -4.621 38 H GLY 7 H GLY 7 -0.207 -19.774 -5.654 39 1HA GLY 7 1HA GLY 7 1.109 -17.942 -6.308 40 2HA GLY 7 2HA GLY 7 -0.142 -17.472 -7.454 41 H GLU 8 H GLU 8 1.443 -16.388 -4.891 42 HA GLU 8 HA GLU 8 -0.654 -15.361 -3.196 43 1HB GLU 8 1HB GLU 8 1.242 -14.005 -2.203 44 2HB GLU 8 2HB GLU 8 1.516 -15.731 -2.298 45 1HG GLU 8 1HG GLU 8 2.956 -15.429 -4.287 46 2HG GLU 8 2HG GLU 8 2.676 -13.698 -4.247 47 H VAL 9 H VAL 9 -1.828 -13.654 -3.374 48 HA VAL 9 HA VAL 9 -2.024 -12.088 -5.737 49 HB VAL 9 HB VAL 9 -3.731 -10.780 -4.385 50 1HG1 VAL 9 1HG1 VAL 9 -3.902 -13.807 -4.343 51 2HG1 VAL 9 2HG1 VAL 9 -4.317 -12.770 -5.697 52 3HG1 VAL 9 3HG1 VAL 9 -5.271 -12.708 -4.227 53 1HG2 VAL 9 1HG2 VAL 9 -2.654 -11.110 -2.071 54 2HG2 VAL 9 2HG2 VAL 9 -3.037 -12.814 -2.179 55 3HG2 VAL 9 3HG2 VAL 9 -4.320 -11.638 -2.110 56 H VAL 10 H VAL 10 -1.100 -10.379 -6.395 57 HA VAL 10 HA VAL 10 0.671 -8.770 -4.651 58 HB VAL 10 HB VAL 10 1.517 -7.869 -6.880 59 1HG1 VAL 10 1HG1 VAL 10 2.629 -9.982 -7.571 60 2HG1 VAL 10 2HG1 VAL 10 1.491 -10.907 -6.607 61 3HG1 VAL 10 3HG1 VAL 10 2.628 -9.817 -5.830 62 1HG2 VAL 10 1HG2 VAL 10 0.834 -9.034 -8.962 63 2HG2 VAL 10 2HG2 VAL 10 -0.558 -8.238 -8.265 64 3HG2 VAL 10 3HG2 VAL 10 -0.357 -9.970 -8.083 65 H LEU 11 H LEU 11 -1.382 -7.897 -3.647 66 HA LEU 11 HA LEU 11 -3.037 -6.050 -5.090 67 1HB LEU 11 1HB LEU 11 -2.456 -6.429 -2.134 68 2HB LEU 11 2HB LEU 11 -3.486 -5.129 -2.673 69 HG LEU 11 HG LEU 11 -4.769 -7.126 -1.941 70 1HD1 LEU 11 1HD1 LEU 11 -6.293 -7.232 -3.895 71 2HD1 LEU 11 2HD1 LEU 11 -5.066 -6.509 -4.915 72 3HD1 LEU 11 3HD1 LEU 11 -5.771 -5.585 -3.597 73 1HD2 LEU 11 1HD2 LEU 11 -3.186 -8.895 -2.700 74 2HD2 LEU 11 2HD2 LEU 11 -3.559 -8.508 -4.372 75 3HD2 LEU 11 3HD2 LEU 11 -4.805 -9.157 -3.324 76 H LYS 12 H LYS 12 -2.482 -4.225 -5.956 77 HA LYS 12 HA LYS 12 -0.219 -2.616 -4.836 78 1HB LYS 12 1HB LYS 12 -0.015 -3.309 -7.192 79 2HB LYS 12 2HB LYS 12 -1.518 -2.483 -7.568 80 1HG LYS 12 1HG LYS 12 -0.598 -0.326 -6.969 81 2HG LYS 12 2HG LYS 12 0.801 -1.047 -6.193 82 1HD LYS 12 1HD LYS 12 1.571 -1.910 -8.346 83 2HD LYS 12 2HD LYS 12 0.159 -1.224 -9.142 84 1HE LYS 12 1HE LYS 12 0.896 1.069 -8.382 85 2HE LYS 12 2HE LYS 12 2.305 0.335 -7.626 86 1HZ LYS 12 1HZ LYS 12 2.091 -0.483 -10.320 87 2HZ LYS 12 2HZ LYS 12 3.359 0.329 -9.534 88 3HZ LYS 12 3HZ LYS 12 2.076 1.212 -10.214 89 H MET 13 H MET 13 -0.998 -1.377 -3.408 90 HA MET 13 HA MET 13 -3.545 0.088 -3.652 91 1HB MET 13 1HB MET 13 -1.554 -0.002 -1.381 92 2HB MET 13 2HB MET 13 -3.194 0.601 -1.294 93 1HG MET 13 1HG MET 13 -4.142 -1.566 -1.594 94 2HG MET 13 2HG MET 13 -2.632 -2.276 -2.081 95 1HE MET 13 1HE MET 13 -0.913 -3.412 0.945 96 2HE MET 13 2HE MET 13 -0.490 -2.292 -0.336 97 3HE MET 13 3HE MET 13 -1.367 -3.796 -0.704 98 H LYS 14 H LYS 14 -3.616 2.307 -3.861 99 HA LYS 14 HA LYS 14 -1.042 3.757 -4.058 100 1HB LYS 14 1HB LYS 14 -1.998 3.218 -6.250 101 2HB LYS 14 2HB LYS 14 -3.511 3.869 -5.734 102 1HG LYS 14 1HG LYS 14 -2.354 5.507 -7.219 103 2HG LYS 14 2HG LYS 14 -2.671 6.172 -5.642 104 1HD LYS 14 1HD LYS 14 -0.430 6.804 -6.289 105 2HD LYS 14 2HD LYS 14 -0.308 5.664 -4.968 106 1HE LYS 14 1HE LYS 14 1.307 5.148 -6.755 107 2HE LYS 14 2HE LYS 14 0.149 3.832 -6.601 108 1HZ LYS 14 1HZ LYS 14 0.676 4.617 -8.905 109 2HZ LYS 14 2HZ LYS 14 -0.183 6.036 -8.537 110 3HZ LYS 14 3HZ LYS 14 -0.974 4.533 -8.510 111 H VAL 15 H VAL 15 -1.418 4.285 -1.897 112 HA VAL 15 HA VAL 15 -3.757 5.669 -0.993 113 HB VAL 15 HB VAL 15 -1.045 4.841 0.031 114 1HG1 VAL 15 1HG1 VAL 15 -1.276 5.937 2.174 115 2HG1 VAL 15 2HG1 VAL 15 -2.725 6.773 1.635 116 3HG1 VAL 15 3HG1 VAL 15 -1.157 7.167 0.929 117 1HG2 VAL 15 1HG2 VAL 15 -3.024 3.427 0.263 118 2HG2 VAL 15 2HG2 VAL 15 -3.807 4.698 1.212 119 3HG2 VAL 15 3HG2 VAL 15 -2.359 3.902 1.824 120 H GLU 16 H GLU 16 -3.482 7.729 0.230 121 HA GLU 16 HA GLU 16 -2.479 9.857 -1.598 122 1HB GLU 16 1HB GLU 16 -4.885 9.973 -0.945 123 2HB GLU 16 2HB GLU 16 -4.445 9.884 0.749 124 1HG GLU 16 1HG GLU 16 -3.106 12.044 0.405 125 2HG GLU 16 2HG GLU 16 -3.811 12.133 -1.202 126 H GLY 17 H GLY 17 -0.430 10.386 -1.016 127 1HA GLY 17 1HA GLY 17 0.876 9.731 1.379 128 2HA GLY 17 2HA GLY 17 1.417 10.985 0.278 129 H MET 18 H MET 18 -1.170 12.410 0.695 130 HA MET 18 HA MET 18 -1.964 14.205 1.893 131 1HB MET 18 1HB MET 18 -2.815 12.405 3.266 132 2HB MET 18 2HB MET 18 -1.299 12.219 4.103 133 1HG MET 18 1HG MET 18 -2.983 14.729 4.218 134 2HG MET 18 2HG MET 18 -3.147 13.431 5.361 135 1HE MET 18 1HE MET 18 0.166 13.470 7.287 136 2HE MET 18 2HE MET 18 -0.062 12.603 5.782 137 3HE MET 18 3HE MET 18 -1.356 12.666 7.000 138 H THR 19 H THR 19 -0.693 15.823 1.487 139 HA THR 19 HA THR 19 0.962 17.436 1.574 140 HB THR 19 HB THR 19 1.289 18.418 3.869 141 HG1 THR 19 HG1 THR 19 1.755 16.488 4.923 142 1HG2 THR 19 1HG2 THR 19 -1.043 18.499 4.682 143 2HG2 THR 19 2HG2 THR 19 -1.464 17.067 3.761 144 3HG2 THR 19 3HG2 THR 19 -1.085 18.567 2.929 145 H CYS 20 H CYS 20 3.074 17.927 3.272 146 HA CYS 20 HA CYS 20 5.135 16.280 2.192 147 1HB CYS 20 1HB CYS 20 5.471 18.603 2.961 148 2HB CYS 20 2HB CYS 20 5.145 18.122 4.604 149 H HIS 21 H HIS 21 3.142 16.068 4.937 150 HA HIS 21 HA HIS 21 4.701 14.152 6.479 151 1HB HIS 21 1HB HIS 21 1.749 14.900 6.692 152 2HB HIS 21 2HB HIS 21 2.715 14.131 7.946 153 HD1 HIS 21 HD1 HIS 21 2.645 17.359 6.045 154 HD2 HIS 21 HD2 HIS 21 4.045 15.923 9.602 155 HE1 HIS 21 HE1 HIS 21 3.510 19.309 7.288 156 H SER 22 H SER 22 3.216 12.137 7.171 157 HA SER 22 HA SER 22 1.668 10.865 5.105 158 1HB SER 22 1HB SER 22 3.346 9.053 4.512 159 2HB SER 22 2HB SER 22 3.936 10.638 4.018 160 HG SER 22 HG SER 22 4.821 10.660 6.290 161 H CYS 23 H CYS 23 3.790 10.336 7.869 162 HA CYS 23 HA CYS 23 3.573 9.002 9.755 163 1HB CYS 23 1HB CYS 23 0.598 9.300 9.199 164 2HB CYS 23 2HB CYS 23 1.320 8.851 10.715 165 H THR 24 H THR 24 3.423 7.769 6.967 166 HA THR 24 HA THR 24 1.920 5.304 7.317 167 HB THR 24 HB THR 24 2.944 4.700 5.090 168 HG1 THR 24 HG1 THR 24 4.192 7.213 5.559 169 1HG2 THR 24 1HG2 THR 24 1.986 7.626 5.169 170 2HG2 THR 24 2HG2 THR 24 0.891 6.262 5.081 171 3HG2 THR 24 3HG2 THR 24 1.990 6.599 3.758 172 H SER 25 H SER 25 4.843 6.199 8.562 173 HA SER 25 HA SER 25 6.475 3.894 8.114 174 1HB SER 25 1HB SER 25 6.352 5.740 10.568 175 2HB SER 25 2HB SER 25 7.695 4.649 10.179 176 HG SER 25 HG SER 25 7.786 5.716 8.123 177 H THR 26 H THR 26 4.121 4.703 10.568 178 HA THR 26 HA THR 26 4.270 2.263 12.059 179 HB THR 26 HB THR 26 2.107 3.139 13.121 180 HG1 THR 26 HG1 THR 26 2.446 4.879 10.907 181 1HG2 THR 26 1HG2 THR 26 4.108 5.406 12.540 182 2HG2 THR 26 2HG2 THR 26 4.341 4.216 13.813 183 3HG2 THR 26 3HG2 THR 26 2.987 5.329 13.889 184 H ILE 27 H ILE 27 2.366 3.381 9.363 185 HA ILE 27 HA ILE 27 0.399 1.300 9.307 186 HB ILE 27 HB ILE 27 1.489 3.110 7.108 187 1HG1 ILE 27 1HG1 ILE 27 -0.941 3.305 8.960 188 2HG1 ILE 27 2HG1 ILE 27 0.492 4.303 9.060 189 1HG2 ILE 27 1HG2 ILE 27 0.345 1.116 6.159 190 2HG2 ILE 27 2HG2 ILE 27 -0.580 2.571 5.894 191 3HG2 ILE 27 3HG2 ILE 27 -1.063 1.445 7.159 192 1HD1 ILE 27 1HD1 ILE 27 -1.473 4.293 6.734 193 2HD1 ILE 27 2HD1 ILE 27 -0.025 5.271 6.810 194 3HD1 ILE 27 3HD1 ILE 27 -1.311 5.518 7.970 195 H GLU 28 H GLU 28 3.571 1.630 7.781 196 HA GLU 28 HA GLU 28 3.504 -0.625 6.141 197 1HB GLU 28 1HB GLU 28 5.207 1.320 6.298 198 2HB GLU 28 2HB GLU 28 5.962 0.425 7.587 199 1HG GLU 28 1HG GLU 28 6.245 -1.523 6.124 200 2HG GLU 28 2HG GLU 28 5.460 -0.648 4.808 201 H GLY 29 H GLY 29 4.898 -0.192 9.297 202 1HA GLY 29 1HA GLY 29 5.632 -2.892 9.852 203 2HA GLY 29 2HA GLY 29 5.383 -1.649 11.071 204 H LYS 30 H LYS 30 2.618 -1.202 10.266 205 HA LYS 30 HA LYS 30 1.340 -3.137 11.997 206 1HB LYS 30 1HB LYS 30 0.533 -0.810 11.833 207 2HB LYS 30 2HB LYS 30 0.189 -1.002 10.131 208 1HG LYS 30 1HG LYS 30 -1.152 -2.829 12.141 209 2HG LYS 30 2HG LYS 30 -1.753 -1.200 11.929 210 1HD LYS 30 1HD LYS 30 -2.163 -1.598 9.534 211 2HD LYS 30 2HD LYS 30 -1.498 -3.211 9.620 212 1HE LYS 30 1HE LYS 30 -3.942 -2.265 11.155 213 2HE LYS 30 2HE LYS 30 -3.954 -3.286 9.724 214 1HZ LYS 30 1HZ LYS 30 -3.088 -3.924 12.447 215 2HZ LYS 30 2HZ LYS 30 -2.366 -4.740 11.146 216 3HZ LYS 30 3HZ LYS 30 -4.046 -4.825 11.373 217 H ILE 31 H ILE 31 1.428 -2.560 8.557 218 HA ILE 31 HA ILE 31 -0.325 -4.727 7.860 219 HB ILE 31 HB ILE 31 1.610 -3.031 6.228 220 1HG1 ILE 31 1HG1 ILE 31 -1.446 -3.007 6.431 221 2HG1 ILE 31 2HG1 ILE 31 -0.438 -1.933 7.365 222 1HG2 ILE 31 1HG2 ILE 31 0.362 -3.896 4.249 223 2HG2 ILE 31 2HG2 ILE 31 -0.546 -4.973 5.286 224 3HG2 ILE 31 3HG2 ILE 31 1.181 -5.210 5.071 225 1HD1 ILE 31 1HD1 ILE 31 0.490 -0.986 5.240 226 2HD1 ILE 31 2HD1 ILE 31 -1.252 -0.801 5.355 227 3HD1 ILE 31 3HD1 ILE 31 -0.576 -2.034 4.316 228 H GLY 32 H GLY 32 3.104 -4.392 8.347 229 1HA GLY 32 1HA GLY 32 3.906 -6.834 7.094 230 2HA GLY 32 2HA GLY 32 4.880 -5.877 8.206 231 H LYS 33 H LYS 33 2.611 -5.943 10.122 232 HA LYS 33 HA LYS 33 3.404 -8.246 11.634 233 1HB LYS 33 1HB LYS 33 3.145 -6.216 12.790 234 2HB LYS 33 2HB LYS 33 1.610 -5.895 12.046 235 1HG LYS 33 1HG LYS 33 1.936 -8.284 13.890 236 2HG LYS 33 2HG LYS 33 1.750 -6.691 14.579 237 1HD LYS 33 1HD LYS 33 -0.264 -7.871 12.599 238 2HD LYS 33 2HD LYS 33 -0.410 -7.994 14.335 239 1HE LYS 33 1HE LYS 33 -0.489 -5.523 14.514 240 2HE LYS 33 2HE LYS 33 -0.248 -5.360 12.782 241 1HZ LYS 33 1HZ LYS 33 -2.301 -6.385 12.346 242 2HZ LYS 33 2HZ LYS 33 -2.577 -5.198 13.528 243 3HZ LYS 33 3HZ LYS 33 -2.511 -6.837 13.972 244 H LEU 34 H LEU 34 0.954 -7.589 9.439 245 HA LEU 34 HA LEU 34 -1.140 -9.203 10.334 246 1HB LEU 34 1HB LEU 34 -0.295 -8.523 7.512 247 2HB LEU 34 2HB LEU 34 -1.848 -9.175 7.954 248 HG LEU 34 HG LEU 34 -0.757 -6.510 8.926 249 1HD1 LEU 34 1HD1 LEU 34 -2.440 -5.544 7.366 250 2HD1 LEU 34 2HD1 LEU 34 -2.900 -7.160 6.847 251 3HD1 LEU 34 3HD1 LEU 34 -1.299 -6.547 6.492 252 1HD2 LEU 34 1HD2 LEU 34 -3.077 -6.125 9.738 253 2HD2 LEU 34 2HD2 LEU 34 -2.372 -7.509 10.544 254 3HD2 LEU 34 3HD2 LEU 34 -3.528 -7.748 9.245 255 H GLN 35 H GLN 35 -1.440 -11.302 10.423 256 HA GLN 35 HA GLN 35 0.629 -13.153 9.686 257 1HB GLN 35 1HB GLN 35 -0.963 -14.887 10.511 258 2HB GLN 35 2HB GLN 35 -0.821 -13.557 11.641 259 1HG GLN 35 1HG GLN 35 -2.952 -12.573 10.762 260 2HG GLN 35 2HG GLN 35 -3.100 -13.910 9.629 261 1HE2 GLN 35 1HE2 GLN 35 -3.482 -16.075 10.515 262 2HE2 GLN 35 2HE2 GLN 35 -4.131 -16.261 12.072 263 H GLY 36 H GLY 36 0.703 -14.579 7.995 264 1HA GLY 36 1HA GLY 36 0.007 -15.720 6.072 265 2HA GLY 36 2HA GLY 36 -1.493 -14.816 6.105 266 H VAL 37 H VAL 37 1.211 -12.790 6.388 267 HA VAL 37 HA VAL 37 0.910 -11.966 3.577 268 HB VAL 37 HB VAL 37 1.903 -10.559 6.100 269 1HG1 VAL 37 1HG1 VAL 37 3.395 -9.913 4.172 270 2HG1 VAL 37 2HG1 VAL 37 2.353 -8.592 4.672 271 3HG1 VAL 37 3HG1 VAL 37 1.963 -9.523 3.227 272 1HG2 VAL 37 1HG2 VAL 37 0.025 -9.069 5.457 273 2HG2 VAL 37 2HG2 VAL 37 -0.526 -10.737 5.633 274 3HG2 VAL 37 3HG2 VAL 37 -0.267 -10.058 4.031 275 H GLN 38 H GLN 38 2.477 -12.084 2.173 276 HA GLN 38 HA GLN 38 4.955 -13.500 3.001 277 1HB GLN 38 1HB GLN 38 3.643 -13.035 0.299 278 2HB GLN 38 2HB GLN 38 5.263 -13.688 0.441 279 1HG GLN 38 1HG GLN 38 4.090 -15.669 0.422 280 2HG GLN 38 2HG GLN 38 4.052 -15.351 2.151 281 1HE2 GLN 38 1HE2 GLN 38 2.205 -15.843 -0.623 282 2HE2 GLN 38 2HE2 GLN 38 0.673 -15.584 0.052 283 H ARG 39 H ARG 39 4.445 -11.242 0.417 284 HA ARG 39 HA ARG 39 6.971 -9.853 1.163 285 1HB ARG 39 1HB ARG 39 6.591 -10.711 -1.220 286 2HB ARG 39 2HB ARG 39 5.330 -9.507 -1.362 287 1HG ARG 39 1HG ARG 39 7.425 -8.703 -2.374 288 2HG ARG 39 2HG ARG 39 6.894 -7.665 -1.074 289 1HD ARG 39 1HD ARG 39 9.364 -8.145 -1.024 290 2HD ARG 39 2HD ARG 39 8.577 -8.661 0.451 291 HE ARG 39 HE ARG 39 9.224 -10.512 -1.826 292 1HH1 ARG 39 1HH1 ARG 39 9.028 -9.888 1.608 293 2HH1 ARG 39 2HH1 ARG 39 9.580 -11.476 2.006 294 1HH2 ARG 39 1HH2 ARG 39 9.913 -12.490 -1.300 295 2HH2 ARG 39 2HH2 ARG 39 10.086 -12.962 0.358 296 H ILE 40 H ILE 40 7.119 -7.621 1.214 297 HA ILE 40 HA ILE 40 4.734 -5.976 1.251 298 HB ILE 40 HB ILE 40 4.626 -6.862 3.493 299 1HG1 ILE 40 1HG1 ILE 40 5.991 -4.131 3.717 300 2HG1 ILE 40 2HG1 ILE 40 4.361 -4.291 3.142 301 1HG2 ILE 40 1HG2 ILE 40 6.923 -7.733 3.727 302 2HG2 ILE 40 2HG2 ILE 40 6.502 -6.766 5.121 303 3HG2 ILE 40 3HG2 ILE 40 7.559 -6.105 3.893 304 1HD1 ILE 40 1HD1 ILE 40 5.359 -5.095 5.907 305 2HD1 ILE 40 2HD1 ILE 40 3.713 -5.328 5.326 306 3HD1 ILE 40 3HD1 ILE 40 4.360 -3.708 5.514 307 H LYS 41 H LYS 41 5.272 -4.193 0.278 308 HA LYS 41 HA LYS 41 7.812 -2.824 0.876 309 1HB LYS 41 1HB LYS 41 8.465 -2.714 -1.510 310 2HB LYS 41 2HB LYS 41 8.377 -4.381 -0.984 311 1HG LYS 41 1HG LYS 41 6.015 -4.470 -1.951 312 2HG LYS 41 2HG LYS 41 6.299 -2.876 -2.633 313 1HD LYS 41 1HD LYS 41 8.366 -3.825 -3.762 314 2HD LYS 41 2HD LYS 41 7.895 -5.410 -3.172 315 1HE LYS 41 1HE LYS 41 7.092 -5.210 -5.461 316 2HE LYS 41 2HE LYS 41 5.688 -5.131 -4.408 317 1HZ LYS 41 1HZ LYS 41 6.967 -3.016 -5.968 318 2HZ LYS 41 2HZ LYS 41 6.186 -2.588 -4.523 319 3HZ LYS 41 3HZ LYS 41 5.319 -3.364 -5.759 320 H VAL 42 H VAL 42 7.786 -0.661 0.228 321 HA VAL 42 HA VAL 42 5.135 0.415 -0.628 322 HB VAL 42 HB VAL 42 6.938 1.451 1.619 323 1HG1 VAL 42 1HG1 VAL 42 5.890 3.335 0.347 324 2HG1 VAL 42 2HG1 VAL 42 5.225 3.186 1.956 325 3HG1 VAL 42 3HG1 VAL 42 4.309 2.603 0.570 326 1HG2 VAL 42 1HG2 VAL 42 5.527 -0.501 2.268 327 2HG2 VAL 42 2HG2 VAL 42 4.096 0.326 1.671 328 3HG2 VAL 42 3HG2 VAL 42 4.962 0.955 3.062 329 H SER 43 H SER 43 5.215 1.886 -2.144 330 HA SER 43 HA SER 43 7.872 2.799 -3.130 331 1HB SER 43 1HB SER 43 5.180 2.407 -4.477 332 2HB SER 43 2HB SER 43 6.568 3.148 -5.272 333 HG SER 43 HG SER 43 7.753 1.267 -4.683 334 H LEU 44 H LEU 44 8.191 4.898 -3.676 335 HA LEU 44 HA LEU 44 7.045 6.884 -1.983 336 1HB LEU 44 1HB LEU 44 8.524 8.452 -3.346 337 2HB LEU 44 2HB LEU 44 9.318 7.106 -2.575 338 HG LEU 44 HG LEU 44 9.373 5.863 -4.745 339 1HD1 LEU 44 1HD1 LEU 44 8.828 7.047 -6.856 340 2HD1 LEU 44 2HD1 LEU 44 8.191 8.407 -5.948 341 3HD1 LEU 44 3HD1 LEU 44 7.393 6.841 -5.887 342 1HD2 LEU 44 1HD2 LEU 44 11.274 7.295 -4.100 343 2HD2 LEU 44 2HD2 LEU 44 10.520 8.676 -4.880 344 3HD2 LEU 44 3HD2 LEU 44 11.060 7.307 -5.841 345 H ASP 45 H ASP 45 5.459 5.691 -4.550 346 HA ASP 45 HA ASP 45 4.497 8.253 -5.675 347 1HB ASP 45 1HB ASP 45 3.468 5.424 -6.209 348 2HB ASP 45 2HB ASP 45 3.224 6.836 -7.214 349 H ASN 46 H ASN 46 3.933 8.782 -3.363 350 HA ASN 46 HA ASN 46 2.369 9.191 -1.683 351 1HB ASN 46 1HB ASN 46 0.381 8.420 -3.903 352 2HB ASN 46 2HB ASN 46 -0.023 9.261 -2.421 353 1HD2 ASN 46 1HD2 ASN 46 0.548 11.490 -2.220 354 2HD2 ASN 46 2HD2 ASN 46 1.145 12.399 -3.524 355 H GLN 47 H GLN 47 3.365 7.245 -0.776 356 HA GLN 47 HA GLN 47 3.375 5.108 0.102 357 1HB GLN 47 1HB GLN 47 1.911 6.578 1.534 358 2HB GLN 47 2HB GLN 47 0.547 6.058 0.590 359 1HG GLN 47 1HG GLN 47 0.677 4.843 2.767 360 2HG GLN 47 2HG GLN 47 0.807 3.719 1.433 361 1HE2 GLN 47 1HE2 GLN 47 1.992 2.170 2.680 362 2HE2 GLN 47 2HE2 GLN 47 3.595 2.437 3.170 363 H GLU 48 H GLU 48 3.292 4.718 -2.414 364 HA GLU 48 HA GLU 48 0.962 3.181 -3.303 365 1HB GLU 48 1HB GLU 48 2.202 4.390 -4.976 366 2HB GLU 48 2HB GLU 48 3.743 3.757 -4.476 367 1HG GLU 48 1HG GLU 48 2.824 1.430 -5.276 368 2HG GLU 48 2HG GLU 48 1.447 2.297 -5.910 369 H ALA 49 H ALA 49 0.913 1.901 -1.524 370 HA ALA 49 HA ALA 49 3.094 0.118 -0.815 371 1HB ALA 49 1HB ALA 49 1.385 -0.780 0.800 372 2HB ALA 49 2HB ALA 49 0.157 0.183 -0.013 373 3HB ALA 49 3HB ALA 49 1.469 0.979 0.837 374 H THR 50 H THR 50 3.463 -1.910 -1.581 375 HA THR 50 HA THR 50 1.316 -3.239 -3.176 376 HB THR 50 HB THR 50 4.262 -2.949 -3.931 377 HG1 THR 50 HG1 THR 50 1.820 -1.739 -4.638 378 1HG2 THR 50 1HG2 THR 50 3.059 -5.076 -4.867 379 2HG2 THR 50 2HG2 THR 50 3.481 -3.933 -6.126 380 3HG2 THR 50 3HG2 THR 50 1.833 -4.008 -5.530 381 H ILE 51 H ILE 51 1.105 -4.188 -1.028 382 HA ILE 51 HA ILE 51 3.127 -6.096 -0.113 383 HB ILE 51 HB ILE 51 0.323 -5.361 0.800 384 1HG1 ILE 51 1HG1 ILE 51 1.511 -4.762 2.881 385 2HG1 ILE 51 2HG1 ILE 51 3.000 -5.319 2.185 386 1HG2 ILE 51 1HG2 ILE 51 2.061 -7.547 1.999 387 2HG2 ILE 51 2HG2 ILE 51 0.531 -7.808 1.178 388 3HG2 ILE 51 3HG2 ILE 51 0.575 -6.930 2.693 389 1HD1 ILE 51 1HD1 ILE 51 2.784 -2.854 2.118 390 2HD1 ILE 51 2HD1 ILE 51 1.341 -3.018 1.126 391 3HD1 ILE 51 3HD1 ILE 51 2.913 -3.521 0.503 392 H VAL 52 H VAL 52 3.109 -8.313 -0.497 393 HA VAL 52 HA VAL 52 0.960 -9.356 -2.227 394 HB VAL 52 HB VAL 52 3.756 -10.512 -1.939 395 1HG1 VAL 52 1HG1 VAL 52 2.016 -11.959 -2.831 396 2HG1 VAL 52 2HG1 VAL 52 3.200 -11.552 -4.072 397 3HG1 VAL 52 3HG1 VAL 52 1.627 -10.764 -4.056 398 1HG2 VAL 52 1HG2 VAL 52 4.327 -9.329 -4.057 399 2HG2 VAL 52 2HG2 VAL 52 3.957 -8.164 -2.794 400 3HG2 VAL 52 3HG2 VAL 52 2.763 -8.522 -4.030 401 H TYR 53 H TYR 53 0.151 -11.363 -1.641 402 HA TYR 53 HA TYR 53 1.191 -12.809 0.649 403 1HB TYR 53 1HB TYR 53 -0.792 -12.353 2.152 404 2HB TYR 53 2HB TYR 53 0.169 -10.916 1.878 405 HD1 TYR 53 HD1 TYR 53 -3.068 -12.471 1.569 406 HD2 TYR 53 HD2 TYR 53 -0.720 -9.201 0.179 407 HE1 TYR 53 HE1 TYR 53 -5.098 -11.324 0.829 408 HE2 TYR 53 HE2 TYR 53 -2.752 -8.058 -0.552 409 HH TYR 53 HH TYR 53 -5.293 -9.092 -1.267 410 H GLN 54 H GLN 54 -0.536 -14.355 1.525 411 HA GLN 54 HA GLN 54 -1.519 -15.892 -0.780 412 1HB GLN 54 1HB GLN 54 -1.833 -17.705 0.822 413 2HB GLN 54 2HB GLN 54 -0.244 -17.002 1.006 414 1HG GLN 54 1HG GLN 54 -1.508 -15.499 2.850 415 2HG GLN 54 2HG GLN 54 -2.614 -16.853 2.849 416 1HE2 GLN 54 1HE2 GLN 54 0.670 -15.864 3.604 417 2HE2 GLN 54 2HE2 GLN 54 1.103 -17.262 4.459 418 HA PRO 55 HA PRO 55 -5.529 -14.058 -0.189 419 1HB PRO 55 1HB PRO 55 -6.843 -15.150 -2.310 420 2HB PRO 55 2HB PRO 55 -5.555 -13.967 -2.482 421 1HG PRO 55 1HG PRO 55 -5.422 -16.956 -2.832 422 2HG PRO 55 2HG PRO 55 -4.636 -15.708 -3.785 423 1HD PRO 55 1HD PRO 55 -3.392 -17.175 -1.720 424 2HD PRO 55 2HD PRO 55 -2.823 -15.615 -2.350 425 H HIS 56 H HIS 56 -5.573 -15.480 1.876 426 HA HIS 56 HA HIS 56 -8.158 -16.721 2.041 427 1HB HIS 56 1HB HIS 56 -7.516 -19.044 2.544 428 2HB HIS 56 2HB HIS 56 -6.943 -18.640 0.943 429 HD1 HIS 56 HD1 HIS 56 -4.571 -19.238 0.615 430 HD2 HIS 56 HD2 HIS 56 -5.252 -18.639 4.612 431 HE1 HIS 56 HE1 HIS 56 -2.464 -19.775 1.777 432 H LEU 57 H LEU 57 -5.048 -16.106 3.473 433 HA LEU 57 HA LEU 57 -5.890 -16.836 6.132 434 1HB LEU 57 1HB LEU 57 -3.415 -16.253 4.884 435 2HB LEU 57 2HB LEU 57 -3.634 -14.914 5.975 436 HG LEU 57 HG LEU 57 -2.432 -16.435 7.296 437 1HD1 LEU 57 1HD1 LEU 57 -3.915 -17.356 8.996 438 2HD1 LEU 57 2HD1 LEU 57 -5.300 -17.185 7.952 439 3HD1 LEU 57 3HD1 LEU 57 -4.462 -15.748 8.521 440 1HD2 LEU 57 1HD2 LEU 57 -2.502 -18.353 5.749 441 2HD2 LEU 57 2HD2 LEU 57 -4.137 -18.728 6.279 442 3HD2 LEU 57 3HD2 LEU 57 -2.804 -18.851 7.401 443 H ILE 58 H ILE 58 -5.452 -13.875 4.350 444 HA ILE 58 HA ILE 58 -7.556 -12.496 5.728 445 HB ILE 58 HB ILE 58 -5.824 -12.354 7.465 446 1HG1 ILE 58 1HG1 ILE 58 -5.716 -9.926 7.847 447 2HG1 ILE 58 2HG1 ILE 58 -6.168 -9.580 6.221 448 1HG2 ILE 58 1HG2 ILE 58 -3.807 -12.530 6.030 449 2HG2 ILE 58 2HG2 ILE 58 -3.688 -11.109 7.053 450 3HG2 ILE 58 3HG2 ILE 58 -4.117 -10.938 5.361 451 1HD1 ILE 58 1HD1 ILE 58 -8.111 -9.403 7.748 452 2HD1 ILE 58 2HD1 ILE 58 -7.851 -11.042 8.318 453 3HD1 ILE 58 3HD1 ILE 58 -8.388 -10.755 6.671 454 H SER 59 H SER 59 -7.513 -10.120 5.101 455 HA SER 59 HA SER 59 -6.557 -9.756 2.273 456 1HB SER 59 1HB SER 59 -9.105 -8.673 3.569 457 2HB SER 59 2HB SER 59 -8.582 -8.406 1.894 458 HG SER 59 HG SER 59 -8.980 -10.939 3.109 459 H VAL 60 H VAL 60 -4.939 -8.490 2.370 460 HA VAL 60 HA VAL 60 -4.338 -6.659 4.460 461 HB VAL 60 HB VAL 60 -3.285 -6.902 1.609 462 1HG1 VAL 60 1HG1 VAL 60 -1.302 -5.607 2.439 463 2HG1 VAL 60 2HG1 VAL 60 -2.116 -5.374 3.979 464 3HG1 VAL 60 3HG1 VAL 60 -2.755 -4.636 2.524 465 1HG2 VAL 60 1HG2 VAL 60 -2.930 -8.906 3.048 466 2HG2 VAL 60 2HG2 VAL 60 -2.190 -7.901 4.281 467 3HG2 VAL 60 3HG2 VAL 60 -1.403 -8.107 2.726 468 H GLU 61 H GLU 61 -6.287 -6.502 1.694 469 HA GLU 61 HA GLU 61 -6.328 -3.699 1.233 470 1HB GLU 61 1HB GLU 61 -7.145 -5.693 -0.250 471 2HB GLU 61 2HB GLU 61 -8.592 -5.696 0.729 472 1HG GLU 61 1HG GLU 61 -7.583 -3.354 -0.910 473 2HG GLU 61 2HG GLU 61 -8.860 -4.453 -1.387 474 H GLU 62 H GLU 62 -8.190 -5.840 3.321 475 HA GLU 62 HA GLU 62 -9.998 -3.777 4.204 476 1HB GLU 62 1HB GLU 62 -10.370 -6.269 4.335 477 2HB GLU 62 2HB GLU 62 -9.128 -6.363 5.546 478 1HG GLU 62 1HG GLU 62 -11.426 -6.285 6.589 479 2HG GLU 62 2HG GLU 62 -10.448 -4.924 7.095 480 H MET 63 H MET 63 -6.948 -5.082 5.214 481 HA MET 63 HA MET 63 -6.693 -3.628 7.646 482 1HB MET 63 1HB MET 63 -4.880 -5.201 5.925 483 2HB MET 63 2HB MET 63 -4.215 -4.315 7.286 484 1HG MET 63 1HG MET 63 -4.902 -6.718 7.760 485 2HG MET 63 2HG MET 63 -5.514 -5.522 8.858 486 1HE MET 63 1HE MET 63 -8.546 -4.601 8.096 487 2HE MET 63 2HE MET 63 -7.558 -5.089 9.473 488 3HE MET 63 3HE MET 63 -9.020 -5.967 9.107 489 H LYS 64 H LYS 64 -6.089 -2.785 4.343 490 HA LYS 64 HA LYS 64 -4.487 -0.393 5.182 491 1HB LYS 64 1HB LYS 64 -3.697 -0.361 2.920 492 2HB LYS 64 2HB LYS 64 -3.898 -2.065 3.203 493 1HG LYS 64 1HG LYS 64 -5.076 -1.990 1.253 494 2HG LYS 64 2HG LYS 64 -6.385 -1.505 2.298 495 1HD LYS 64 1HD LYS 64 -5.546 0.956 1.890 496 2HD LYS 64 2HD LYS 64 -4.637 0.251 0.577 497 1HE LYS 64 1HE LYS 64 -7.640 0.066 0.940 498 2HE LYS 64 2HE LYS 64 -6.782 1.038 -0.244 499 1HZ LYS 64 1HZ LYS 64 -7.600 -1.041 -1.167 500 2HZ LYS 64 2HZ LYS 64 -6.658 -1.915 -0.059 501 3HZ LYS 64 3HZ LYS 64 -5.905 -0.951 -1.240 502 H LYS 65 H LYS 65 -7.659 -1.390 4.657 503 HA LYS 65 HA LYS 65 -8.749 0.903 3.402 504 1HB LYS 65 1HB LYS 65 -9.893 -1.331 3.697 505 2HB LYS 65 2HB LYS 65 -9.979 -1.029 5.413 506 1HG LYS 65 1HG LYS 65 -11.226 0.937 3.486 507 2HG LYS 65 2HG LYS 65 -12.066 -0.555 3.859 508 1HD LYS 65 1HD LYS 65 -12.027 0.005 6.277 509 2HD LYS 65 2HD LYS 65 -11.192 1.507 5.953 510 1HE LYS 65 1HE LYS 65 -13.096 2.248 4.514 511 2HE LYS 65 2HE LYS 65 -13.950 0.763 4.921 512 1HZ LYS 65 1HZ LYS 65 -14.659 2.532 6.338 513 2HZ LYS 65 2HZ LYS 65 -13.061 2.855 6.818 514 3HZ LYS 65 3HZ LYS 65 -13.801 1.392 7.260 515 H GLN 66 H GLN 66 -7.816 0.119 6.668 516 HA GLN 66 HA GLN 66 -9.053 2.235 8.050 517 1HB GLN 66 1HB GLN 66 -7.564 1.640 9.839 518 2HB GLN 66 2HB GLN 66 -7.951 0.167 8.999 519 1HG GLN 66 1HG GLN 66 -5.669 -0.149 9.135 520 2HG GLN 66 2HG GLN 66 -5.682 0.774 7.644 521 1HE2 GLN 66 1HE2 GLN 66 -4.622 2.817 7.674 522 2HE2 GLN 66 2HE2 GLN 66 -3.950 3.509 9.068 523 H ILE 67 H ILE 67 -6.297 2.194 5.944 524 HA ILE 67 HA ILE 67 -5.034 4.633 6.806 525 HB ILE 67 HB ILE 67 -5.006 3.221 4.110 526 1HG1 ILE 67 1HG1 ILE 67 -3.046 2.968 6.424 527 2HG1 ILE 67 2HG1 ILE 67 -4.280 1.785 6.077 528 1HG2 ILE 67 1HG2 ILE 67 -3.096 5.259 5.311 529 2HG2 ILE 67 2HG2 ILE 67 -4.181 5.486 3.946 530 3HG2 ILE 67 3HG2 ILE 67 -2.821 4.411 3.798 531 1HD1 ILE 67 1HD1 ILE 67 -2.007 2.546 4.194 532 2HD1 ILE 67 2HD1 ILE 67 -3.310 1.440 3.805 533 3HD1 ILE 67 3HD1 ILE 67 -2.176 1.046 5.083 534 H GLU 68 H GLU 68 -7.570 3.692 4.639 535 HA GLU 68 HA GLU 68 -7.943 6.360 3.477 536 1HB GLU 68 1HB GLU 68 -9.810 3.977 3.498 537 2HB GLU 68 2HB GLU 68 -9.921 5.371 2.455 538 1HG GLU 68 1HG GLU 68 -7.748 4.783 1.402 539 2HG GLU 68 2HG GLU 68 -7.598 3.389 2.458 540 H ALA 69 H ALA 69 -9.092 4.579 6.143 541 HA ALA 69 HA ALA 69 -11.385 6.247 6.734 542 1HB ALA 69 1HB ALA 69 -11.187 3.920 7.548 543 2HB ALA 69 2HB ALA 69 -11.382 5.042 8.890 544 3HB ALA 69 3HB ALA 69 -9.797 4.379 8.524 545 H MET 70 H MET 70 -7.968 6.214 7.696 546 HA MET 70 HA MET 70 -8.239 8.162 9.730 547 1HB MET 70 1HB MET 70 -5.885 7.971 9.866 548 2HB MET 70 2HB MET 70 -6.389 6.405 9.292 549 1HG MET 70 1HG MET 70 -4.972 6.638 7.591 550 2HG MET 70 2HG MET 70 -6.011 7.871 6.947 551 1HE MET 70 1HE MET 70 -2.712 7.173 6.855 552 2HE MET 70 2HE MET 70 -2.792 6.961 8.621 553 3HE MET 70 3HE MET 70 -1.788 8.220 7.923 554 H GLY 71 H GLY 71 -8.193 8.313 6.331 555 1HA GLY 71 1HA GLY 71 -9.068 10.564 5.557 556 2HA GLY 71 2HA GLY 71 -7.686 11.256 6.385 557 H PHE 72 H PHE 72 -6.677 8.416 4.868 558 HA PHE 72 HA PHE 72 -5.633 10.010 2.559 559 1HB PHE 72 1HB PHE 72 -4.606 7.333 3.571 560 2HB PHE 72 2HB PHE 72 -3.973 8.294 2.280 561 HD1 PHE 72 HD1 PHE 72 -1.958 7.601 3.650 562 HD2 PHE 72 HD2 PHE 72 -4.712 10.571 4.972 563 HE1 PHE 72 HE1 PHE 72 -0.260 8.505 5.104 564 HE2 PHE 72 HE2 PHE 72 -3.008 11.476 6.447 565 HZ PHE 72 HZ PHE 72 -0.749 10.456 6.543 566 HA PRO 73 HA PRO 73 -8.827 7.172 0.665 567 1HB PRO 73 1HB PRO 73 -8.693 8.791 -1.692 568 2HB PRO 73 2HB PRO 73 -10.031 8.583 -0.572 569 1HG PRO 73 1HG PRO 73 -8.169 10.854 -0.798 570 2HG PRO 73 2HG PRO 73 -9.671 10.768 0.110 571 1HD PRO 73 1HD PRO 73 -7.081 10.771 1.236 572 2HD PRO 73 2HD PRO 73 -8.565 10.288 2.077 573 H ALA 74 H ALA 74 -8.203 5.521 -0.392 574 HA ALA 74 HA ALA 74 -5.569 5.532 -1.818 575 1HB ALA 74 1HB ALA 74 -7.064 3.183 -0.570 576 2HB ALA 74 2HB ALA 74 -5.717 4.026 0.173 577 3HB ALA 74 3HB ALA 74 -5.470 3.114 -1.302 578 H PHE 75 H PHE 75 -5.596 5.344 -3.830 579 HA PHE 75 HA PHE 75 -8.029 5.019 -5.376 580 1HB PHE 75 1HB PHE 75 -5.096 5.182 -6.231 581 2HB PHE 75 2HB PHE 75 -6.443 5.183 -7.359 582 HD1 PHE 75 HD1 PHE 75 -4.535 7.189 -4.983 583 HD2 PHE 75 HD2 PHE 75 -8.139 7.047 -7.254 584 HE1 PHE 75 HE1 PHE 75 -4.836 9.592 -4.653 585 HE2 PHE 75 HE2 PHE 75 -8.435 9.458 -6.921 586 HZ PHE 75 HZ PHE 75 -6.786 10.737 -5.620 587 H VAL 76 H VAL 76 -5.104 3.174 -4.913 588 HA VAL 76 HA VAL 76 -4.529 0.976 -5.199 589 HB VAL 76 HB VAL 76 -7.497 0.528 -4.694 590 1HG1 VAL 76 1HG1 VAL 76 -6.277 -1.517 -5.385 591 2HG1 VAL 76 2HG1 VAL 76 -6.777 -1.627 -3.708 592 3HG1 VAL 76 3HG1 VAL 76 -5.105 -1.276 -4.111 593 1HG2 VAL 76 1HG2 VAL 76 -6.901 0.437 -2.338 594 2HG2 VAL 76 2HG2 VAL 76 -6.551 2.014 -2.993 595 3HG2 VAL 76 3HG2 VAL 76 -5.244 0.883 -2.683 596 H LYS 77 H LYS 77 -3.871 0.403 -7.079 597 HA LYS 77 HA LYS 77 -5.247 0.550 -9.544 598 1HB LYS 77 1HB LYS 77 -2.773 0.412 -9.191 599 2HB LYS 77 2HB LYS 77 -2.942 -1.283 -8.774 600 1HG LYS 77 1HG LYS 77 -3.862 -1.785 -11.020 601 2HG LYS 77 2HG LYS 77 -3.771 -0.091 -11.461 602 1HD LYS 77 1HD LYS 77 -1.386 -1.838 -10.703 603 2HD LYS 77 2HD LYS 77 -1.858 -1.458 -12.344 604 1HE LYS 77 1HE LYS 77 -1.488 0.974 -11.902 605 2HE LYS 77 2HE LYS 77 -0.984 0.599 -10.258 606 1HZ LYS 77 1HZ LYS 77 0.331 -0.276 -12.752 607 2HZ LYS 77 2HZ LYS 77 0.761 -0.816 -11.198 608 3HZ LYS 77 3HZ LYS 77 0.923 0.825 -11.601 609 H LYS 78 H LYS 78 -5.353 -1.869 -7.081 610 HA LYS 78 HA LYS 78 -7.209 -3.468 -8.681 611 1HB LYS 78 1HB LYS 78 -4.801 -4.449 -8.483 612 2HB LYS 78 2HB LYS 78 -5.122 -4.667 -6.785 613 1HG LYS 78 1HG LYS 78 -6.663 -5.953 -9.082 614 2HG LYS 78 2HG LYS 78 -5.492 -6.753 -8.061 615 1HD LYS 78 1HD LYS 78 -7.034 -6.258 -6.070 616 2HD LYS 78 2HD LYS 78 -8.225 -5.687 -7.225 617 1HE LYS 78 1HE LYS 78 -8.691 -8.019 -6.670 618 2HE LYS 78 2HE LYS 78 -8.187 -7.915 -8.351 619 1HZ LYS 78 1HZ LYS 78 -7.152 -9.714 -6.966 620 2HZ LYS 78 2HZ LYS 78 -6.283 -8.491 -6.168 621 3HZ LYS 78 3HZ LYS 78 -6.076 -8.729 -7.838 622 H GLN 79 H GLN 79 -8.793 -2.279 -7.577 623 HA GLN 79 HA GLN 79 -9.031 -2.683 -4.644 624 1HB GLN 79 1HB GLN 79 -10.775 -0.924 -4.756 625 2HB GLN 79 2HB GLN 79 -9.263 -0.384 -5.452 626 1HG GLN 79 1HG GLN 79 -10.119 -0.819 -7.745 627 2HG GLN 79 2HG GLN 79 -11.633 -1.419 -7.084 628 1HE2 GLN 79 1HE2 GLN 79 -9.604 1.466 -6.369 629 2HE2 GLN 79 2HE2 GLN 79 -10.871 2.586 -6.531 630 HA PRO 80 HA PRO 80 -12.376 -5.569 -5.433 631 1HB PRO 80 1HB PRO 80 -13.437 -5.753 -2.908 632 2HB PRO 80 2HB PRO 80 -11.917 -6.499 -3.380 633 1HG PRO 80 1HG PRO 80 -12.367 -4.107 -1.681 634 2HG PRO 80 2HG PRO 80 -10.976 -5.178 -1.746 635 1HD PRO 80 1HD PRO 80 -11.248 -2.571 -3.000 636 2HD PRO 80 2HD PRO 80 -9.863 -3.676 -3.093 637 H LYS 81 H LYS 81 -13.615 -4.319 -6.800 638 HA LYS 81 HA LYS 81 -15.473 -3.177 -7.580 639 1HB LYS 81 1HB LYS 81 -16.550 -4.952 -6.082 640 2HB LYS 81 2HB LYS 81 -16.664 -3.772 -4.805 641 1HG LYS 81 1HG LYS 81 -17.995 -3.536 -7.534 642 2HG LYS 81 2HG LYS 81 -18.793 -4.051 -6.067 643 1HD LYS 81 1HD LYS 81 -18.175 -1.760 -5.066 644 2HD LYS 81 2HD LYS 81 -17.690 -1.281 -6.683 645 1HE LYS 81 1HE LYS 81 -20.464 -2.264 -5.940 646 2HE LYS 81 2HE LYS 81 -20.015 -0.592 -6.234 647 1HZ LYS 81 1HZ LYS 81 -20.921 -1.380 -8.214 648 2HZ LYS 81 2HZ LYS 81 -20.037 -2.829 -8.157 649 3HZ LYS 81 3HZ LYS 81 -19.242 -1.361 -8.475 650 H TYR 82 H TYR 82 -15.878 -2.201 -4.209 651 HA TYR 82 HA TYR 82 -16.252 0.549 -4.757 652 1HB TYR 82 1HB TYR 82 -15.411 -0.851 -2.180 653 2HB TYR 82 2HB TYR 82 -16.012 0.801 -2.260 654 HD1 TYR 82 HD1 TYR 82 -16.926 -2.709 -2.255 655 HD2 TYR 82 HD2 TYR 82 -18.360 1.200 -3.160 656 HE1 TYR 82 HE1 TYR 82 -19.228 -3.545 -2.233 657 HE2 TYR 82 HE2 TYR 82 -20.660 0.359 -3.137 658 HH TYR 82 HH TYR 82 -21.692 -2.132 -1.761 659 H LEU 83 H LEU 83 -14.953 2.277 -3.735 660 HA LEU 83 HA LEU 83 -12.315 2.355 -4.908 661 1HB LEU 83 1HB LEU 83 -13.864 4.310 -3.166 662 2HB LEU 83 2HB LEU 83 -12.289 4.688 -3.810 663 HG LEU 83 HG LEU 83 -14.040 5.709 -5.177 664 1HD1 LEU 83 1HD1 LEU 83 -11.955 5.034 -6.310 665 2HD1 LEU 83 2HD1 LEU 83 -13.322 4.892 -7.399 666 3HD1 LEU 83 3HD1 LEU 83 -12.636 3.456 -6.669 667 1HD2 LEU 83 1HD2 LEU 83 -15.035 2.900 -5.823 668 2HD2 LEU 83 2HD2 LEU 83 -15.610 4.393 -6.525 669 3HD2 LEU 83 3HD2 LEU 83 -15.876 4.075 -4.821 670 H LYS 84 H LYS 84 -12.772 0.492 -2.556 671 HA LYS 84 HA LYS 84 -11.174 1.520 -0.385 672 1HB LYS 84 1HB LYS 84 -11.796 -1.402 -1.076 673 2HB LYS 84 2HB LYS 84 -11.283 -0.782 0.482 674 1HG LYS 84 1HG LYS 84 -13.889 -0.070 -0.889 675 2HG LYS 84 2HG LYS 84 -13.705 -1.208 0.430 676 1HD LYS 84 1HD LYS 84 -12.811 0.656 1.873 677 2HD LYS 84 2HD LYS 84 -13.085 1.785 0.556 678 1HE LYS 84 1HE LYS 84 -14.984 1.872 2.111 679 2HE LYS 84 2HE LYS 84 -15.513 1.211 0.571 680 1HZ LYS 84 1HZ LYS 84 -14.587 -0.624 2.658 681 2HZ LYS 84 2HZ LYS 84 -15.723 -0.870 1.420 682 3HZ LYS 84 3HZ LYS 84 -16.139 0.055 2.782 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -1.095 -32.271 -3.462 2 2H GLY 1 2H GLY 1 0.044 -31.026 -3.264 3 3H GLY 1 3H GLY 1 -1.245 -30.831 -4.352 4 1HA GLY 1 1HA GLY 1 -2.782 -31.081 -2.399 5 2HA GLY 1 2HA GLY 1 -1.340 -30.890 -1.398 6 H SER 2 H SER 2 -3.555 -29.153 -1.448 7 HA SER 2 HA SER 2 -4.162 -26.912 -1.568 8 1HB SER 2 1HB SER 2 -2.073 -26.848 -0.091 9 2HB SER 2 2HB SER 2 -1.115 -26.464 -1.528 10 HG SER 2 HG SER 2 -3.354 -25.035 -0.537 11 H MET 3 H MET 3 -1.984 -25.052 -2.958 12 HA MET 3 HA MET 3 -1.894 -23.949 -4.993 13 1HB MET 3 1HB MET 3 -1.857 -26.846 -5.992 14 2HB MET 3 2HB MET 3 -1.338 -25.457 -6.926 15 1HG MET 3 1HG MET 3 0.375 -24.945 -5.202 16 2HG MET 3 2HG MET 3 -0.125 -26.344 -4.296 17 1HE MET 3 1HE MET 3 1.114 -25.299 -7.884 18 2HE MET 3 2HE MET 3 2.655 -26.137 -7.849 19 3HE MET 3 3HE MET 3 2.334 -24.898 -6.650 20 H ALA 4 H ALA 4 -4.526 -24.512 -3.943 21 HA ALA 4 HA ALA 4 -6.111 -23.886 -6.339 22 1HB ALA 4 1HB ALA 4 -6.201 -26.370 -6.239 23 2HB ALA 4 2HB ALA 4 -7.778 -25.688 -5.877 24 3HB ALA 4 3HB ALA 4 -6.760 -26.290 -4.577 25 H GLN 5 H GLN 5 -5.379 -23.404 -3.176 26 HA GLN 5 HA GLN 5 -7.871 -22.838 -1.920 27 1HB GLN 5 1HB GLN 5 -5.162 -21.509 -1.478 28 2HB GLN 5 2HB GLN 5 -6.520 -21.426 -0.370 29 1HG GLN 5 1HG GLN 5 -6.443 -23.918 -0.106 30 2HG GLN 5 2HG GLN 5 -5.054 -23.977 -1.186 31 1HE2 GLN 5 1HE2 GLN 5 -3.055 -22.845 -0.449 32 2HE2 GLN 5 2HE2 GLN 5 -2.786 -22.624 1.213 33 H ALA 6 H ALA 6 -5.630 -20.737 -3.630 34 HA ALA 6 HA ALA 6 -7.695 -19.093 -4.797 35 1HB ALA 6 1HB ALA 6 -7.727 -18.136 -2.489 36 2HB ALA 6 2HB ALA 6 -7.097 -16.974 -3.643 37 3HB ALA 6 3HB ALA 6 -5.995 -17.849 -2.589 38 H GLY 7 H GLY 7 -4.388 -19.744 -4.060 39 1HA GLY 7 1HA GLY 7 -2.476 -19.607 -5.406 40 2HA GLY 7 2HA GLY 7 -3.501 -19.071 -6.738 41 H GLU 8 H GLU 8 -3.217 -17.658 -3.578 42 HA GLU 8 HA GLU 8 -2.864 -15.497 -2.824 43 1HB GLU 8 1HB GLU 8 -0.587 -14.695 -3.214 44 2HB GLU 8 2HB GLU 8 -0.632 -16.403 -2.851 45 1HG GLU 8 1HG GLU 8 -0.211 -16.988 -5.169 46 2HG GLU 8 2HG GLU 8 -0.430 -15.322 -5.692 47 H VAL 9 H VAL 9 -1.896 -13.321 -3.422 48 HA VAL 9 HA VAL 9 -2.908 -12.258 -6.006 49 HB VAL 9 HB VAL 9 -4.034 -10.359 -4.777 50 1HG1 VAL 9 1HG1 VAL 9 -5.365 -12.325 -5.511 51 2HG1 VAL 9 2HG1 VAL 9 -5.993 -11.674 -4.005 52 3HG1 VAL 9 3HG1 VAL 9 -5.020 -13.132 -3.993 53 1HG2 VAL 9 1HG2 VAL 9 -4.474 -10.577 -2.356 54 2HG2 VAL 9 2HG2 VAL 9 -2.740 -10.520 -2.618 55 3HG2 VAL 9 3HG2 VAL 9 -3.534 -12.047 -2.277 56 H VAL 10 H VAL 10 -1.971 -10.350 -6.662 57 HA VAL 10 HA VAL 10 0.406 -9.368 -5.135 58 HB VAL 10 HB VAL 10 1.579 -9.163 -7.393 59 1HG1 VAL 10 1HG1 VAL 10 0.622 -11.986 -6.726 60 2HG1 VAL 10 2HG1 VAL 10 1.996 -11.172 -5.999 61 3HG1 VAL 10 3HG1 VAL 10 2.028 -11.587 -7.697 62 1HG2 VAL 10 1HG2 VAL 10 0.634 -10.371 -9.346 63 2HG2 VAL 10 2HG2 VAL 10 -0.458 -9.093 -8.862 64 3HG2 VAL 10 3HG2 VAL 10 -0.815 -10.756 -8.434 65 H LEU 11 H LEU 11 -1.714 -8.111 -4.648 66 HA LEU 11 HA LEU 11 -2.454 -6.022 -6.522 67 1HB LEU 11 1HB LEU 11 -3.037 -6.364 -3.564 68 2HB LEU 11 2HB LEU 11 -3.773 -5.130 -4.567 69 HG LEU 11 HG LEU 11 -4.003 -8.118 -5.172 70 1HD1 LEU 11 1HD1 LEU 11 -6.284 -7.927 -4.197 71 2HD1 LEU 11 2HD1 LEU 11 -5.960 -6.260 -3.742 72 3HD1 LEU 11 3HD1 LEU 11 -5.048 -7.568 -3.008 73 1HD2 LEU 11 1HD2 LEU 11 -5.879 -7.369 -6.621 74 2HD2 LEU 11 2HD2 LEU 11 -4.396 -6.587 -7.121 75 3HD2 LEU 11 3HD2 LEU 11 -5.580 -5.699 -6.174 76 H LYS 12 H LYS 12 -1.997 -3.971 -6.608 77 HA LYS 12 HA LYS 12 0.314 -2.910 -5.026 78 1HB LYS 12 1HB LYS 12 -0.917 -1.950 -7.690 79 2HB LYS 12 2HB LYS 12 0.411 -1.168 -6.879 80 1HG LYS 12 1HG LYS 12 1.249 -2.497 -8.744 81 2HG LYS 12 2HG LYS 12 1.861 -3.123 -7.239 82 1HD LYS 12 1HD LYS 12 1.183 -4.929 -8.782 83 2HD LYS 12 2HD LYS 12 0.247 -4.988 -7.316 84 1HE LYS 12 1HE LYS 12 -1.636 -3.795 -8.535 85 2HE LYS 12 2HE LYS 12 -0.646 -3.786 -9.987 86 1HZ LYS 12 1HZ LYS 12 -0.539 -6.288 -9.643 87 2HZ LYS 12 2HZ LYS 12 -1.996 -5.622 -10.209 88 3HZ LYS 12 3HZ LYS 12 -1.844 -6.075 -8.579 89 H MET 13 H MET 13 -0.446 -2.070 -3.324 90 HA MET 13 HA MET 13 -2.993 -0.571 -3.291 91 1HB MET 13 1HB MET 13 -1.042 -0.762 -1.057 92 2HB MET 13 2HB MET 13 -2.783 -0.644 -0.934 93 1HG MET 13 1HG MET 13 -1.204 -3.103 -1.750 94 2HG MET 13 2HG MET 13 -2.094 -2.888 -0.279 95 1HE MET 13 1HE MET 13 -4.805 -2.628 -0.244 96 2HE MET 13 2HE MET 13 -4.053 -4.196 0.135 97 3HE MET 13 3HE MET 13 -5.471 -4.120 -0.886 98 H LYS 14 H LYS 14 -2.761 1.337 -4.080 99 HA LYS 14 HA LYS 14 -0.225 2.872 -3.775 100 1HB LYS 14 1HB LYS 14 -1.080 2.508 -6.051 101 2HB LYS 14 2HB LYS 14 -2.532 3.361 -5.585 102 1HG LYS 14 1HG LYS 14 -1.151 5.416 -5.084 103 2HG LYS 14 2HG LYS 14 0.284 4.538 -5.575 104 1HD LYS 14 1HD LYS 14 -0.604 4.284 -7.858 105 2HD LYS 14 2HD LYS 14 -2.106 5.062 -7.393 106 1HE LYS 14 1HE LYS 14 0.648 6.377 -7.307 107 2HE LYS 14 2HE LYS 14 -0.582 6.671 -8.526 108 1HZ LYS 14 1HZ LYS 14 -0.807 8.387 -7.003 109 2HZ LYS 14 2HZ LYS 14 -0.649 7.361 -5.660 110 3HZ LYS 14 3HZ LYS 14 -2.060 7.314 -6.600 111 H VAL 15 H VAL 15 -0.572 3.453 -1.623 112 HA VAL 15 HA VAL 15 -2.820 4.852 -0.674 113 HB VAL 15 HB VAL 15 0.017 4.287 0.193 114 1HG1 VAL 15 1HG1 VAL 15 -0.053 6.703 0.716 115 2HG1 VAL 15 2HG1 VAL 15 -0.072 5.732 2.176 116 3HG1 VAL 15 3HG1 VAL 15 -1.562 6.459 1.588 117 1HG2 VAL 15 1HG2 VAL 15 -1.895 2.881 0.912 118 2HG2 VAL 15 2HG2 VAL 15 -2.617 4.283 1.700 119 3HG2 VAL 15 3HG2 VAL 15 -1.099 3.631 2.288 120 H GLU 16 H GLU 16 -2.724 7.062 0.190 121 HA GLU 16 HA GLU 16 -1.744 9.003 -1.860 122 1HB GLU 16 1HB GLU 16 -4.238 8.851 -1.606 123 2HB GLU 16 2HB GLU 16 -4.067 9.203 0.107 124 1HG GLU 16 1HG GLU 16 -2.949 11.384 -0.518 125 2HG GLU 16 2HG GLU 16 -3.247 11.004 -2.206 126 H GLY 17 H GLY 17 -0.577 10.720 -1.141 127 1HA GLY 17 1HA GLY 17 0.705 10.493 1.424 128 2HA GLY 17 2HA GLY 17 1.067 11.684 0.178 129 H MET 18 H MET 18 -2.134 11.080 1.309 130 HA MET 18 HA MET 18 -3.750 12.305 2.402 131 1HB MET 18 1HB MET 18 -1.862 12.184 4.190 132 2HB MET 18 2HB MET 18 -1.448 13.824 3.741 133 1HG MET 18 1HG MET 18 -3.977 14.350 4.180 134 2HG MET 18 2HG MET 18 -3.984 12.818 5.002 135 1HE MET 18 1HE MET 18 -1.240 13.437 7.726 136 2HE MET 18 2HE MET 18 -1.235 12.630 6.183 137 3HE MET 18 3HE MET 18 -2.560 12.331 7.328 138 H THR 19 H THR 19 -2.651 15.223 3.132 139 HA THR 19 HA THR 19 -2.765 16.490 0.461 140 HB THR 19 HB THR 19 -4.545 18.126 1.345 141 HG1 THR 19 HG1 THR 19 -3.970 16.556 3.554 142 1HG2 THR 19 1HG2 THR 19 -5.447 15.208 1.712 143 2HG2 THR 19 2HG2 THR 19 -5.344 15.989 0.142 144 3HG2 THR 19 3HG2 THR 19 -6.478 16.580 1.346 145 H CYS 20 H CYS 20 -2.080 16.473 3.826 146 HA CYS 20 HA CYS 20 0.082 18.386 3.536 147 1HB CYS 20 1HB CYS 20 -0.720 19.772 5.443 148 2HB CYS 20 2HB CYS 20 -1.814 19.847 4.091 149 H HIS 21 H HIS 21 1.645 17.240 4.299 150 HA HIS 21 HA HIS 21 3.035 16.000 5.667 151 1HB HIS 21 1HB HIS 21 0.848 16.232 7.817 152 2HB HIS 21 2HB HIS 21 2.531 15.814 8.066 153 HD1 HIS 21 HD1 HIS 21 4.239 17.793 7.518 154 HD2 HIS 21 HD2 HIS 21 0.336 18.974 7.709 155 HE1 HIS 21 HE1 HIS 21 4.266 20.252 7.730 156 H SER 22 H SER 22 3.208 13.884 6.725 157 HA SER 22 HA SER 22 0.984 11.998 6.276 158 1HB SER 22 1HB SER 22 3.682 11.762 4.853 159 2HB SER 22 2HB SER 22 2.483 10.464 4.912 160 HG SER 22 HG SER 22 2.114 13.094 3.919 161 H CYS 23 H CYS 23 1.542 9.823 6.999 162 HA CYS 23 HA CYS 23 3.657 9.602 9.061 163 1HB CYS 23 1HB CYS 23 0.692 9.120 9.578 164 2HB CYS 23 2HB CYS 23 1.970 8.786 10.715 165 H THR 24 H THR 24 3.785 8.493 6.681 166 HA THR 24 HA THR 24 2.532 5.956 6.334 167 HB THR 24 HB THR 24 4.329 5.556 4.628 168 HG1 THR 24 HG1 THR 24 5.349 7.841 5.970 169 1HG2 THR 24 1HG2 THR 24 3.500 8.520 4.689 170 2HG2 THR 24 2HG2 THR 24 2.481 7.248 4.036 171 3HG2 THR 24 3HG2 THR 24 4.014 7.629 3.270 172 H SER 25 H SER 25 4.795 6.832 8.618 173 HA SER 25 HA SER 25 6.473 4.523 8.766 174 1HB SER 25 1HB SER 25 6.817 5.282 11.179 175 2HB SER 25 2HB SER 25 6.944 6.638 10.052 176 HG SER 25 HG SER 25 4.524 6.724 10.410 177 H THR 26 H THR 26 3.350 5.342 10.089 178 HA THR 26 HA THR 26 2.932 2.962 11.625 179 HB THR 26 HB THR 26 0.515 3.764 11.707 180 HG1 THR 26 HG1 THR 26 0.487 4.392 9.514 181 1HG2 THR 26 1HG2 THR 26 2.450 6.159 11.735 182 2HG2 THR 26 2HG2 THR 26 2.242 5.073 13.100 183 3HG2 THR 26 3HG2 THR 26 0.901 6.065 12.554 184 H ILE 27 H ILE 27 2.324 3.903 8.311 185 HA ILE 27 HA ILE 27 0.647 1.681 7.593 186 HB ILE 27 HB ILE 27 2.454 3.459 5.871 187 1HG1 ILE 27 1HG1 ILE 27 -0.510 3.626 6.563 188 2HG1 ILE 27 2HG1 ILE 27 0.732 4.722 7.112 189 1HG2 ILE 27 1HG2 ILE 27 1.953 1.356 4.688 190 2HG2 ILE 27 2HG2 ILE 27 1.047 2.650 3.947 191 3HG2 ILE 27 3HG2 ILE 27 0.246 1.531 5.019 192 1HD1 ILE 27 1HD1 ILE 27 -0.499 5.736 5.248 193 2HD1 ILE 27 2HD1 ILE 27 -0.122 4.381 4.207 194 3HD1 ILE 27 3HD1 ILE 27 1.160 5.443 4.759 195 H GLU 28 H GLU 28 4.144 2.259 7.442 196 HA GLU 28 HA GLU 28 4.886 -0.090 6.124 197 1HB GLU 28 1HB GLU 28 6.167 2.099 6.846 198 2HB GLU 28 2HB GLU 28 6.544 1.210 8.288 199 1HG GLU 28 1HG GLU 28 7.212 0.326 5.461 200 2HG GLU 28 2HG GLU 28 8.342 0.953 6.649 201 H GLY 29 H GLY 29 4.717 0.657 9.517 202 1HA GLY 29 1HA GLY 29 5.502 -1.877 10.571 203 2HA GLY 29 2HA GLY 29 4.628 -0.640 11.456 204 H LYS 30 H LYS 30 2.333 -0.609 9.761 205 HA LYS 30 HA LYS 30 0.901 -2.878 10.944 206 1HB LYS 30 1HB LYS 30 -0.160 -0.614 10.700 207 2HB LYS 30 2HB LYS 30 -0.111 -0.789 8.955 208 1HG LYS 30 1HG LYS 30 -1.499 -2.913 9.195 209 2HG LYS 30 2HG LYS 30 -1.606 -2.592 10.915 210 1HD LYS 30 1HD LYS 30 -2.749 -0.425 10.422 211 2HD LYS 30 2HD LYS 30 -2.633 -0.770 8.702 212 1HE LYS 30 1HE LYS 30 -3.938 -2.886 9.065 213 2HE LYS 30 2HE LYS 30 -4.123 -2.453 10.759 214 1HZ LYS 30 1HZ LYS 30 -5.663 -0.943 10.296 215 2HZ LYS 30 2HZ LYS 30 -5.831 -1.779 8.829 216 3HZ LYS 30 3HZ LYS 30 -4.870 -0.383 8.903 217 H ILE 31 H ILE 31 1.523 -1.749 7.711 218 HA ILE 31 HA ILE 31 0.520 -4.079 6.362 219 HB ILE 31 HB ILE 31 2.261 -1.785 5.339 220 1HG1 ILE 31 1HG1 ILE 31 0.114 -0.957 6.324 221 2HG1 ILE 31 2HG1 ILE 31 0.137 -0.730 4.596 222 1HG2 ILE 31 1HG2 ILE 31 2.316 -3.585 3.726 223 2HG2 ILE 31 2HG2 ILE 31 1.335 -2.279 3.109 224 3HG2 ILE 31 3HG2 ILE 31 0.565 -3.725 3.746 225 1HD1 ILE 31 1HD1 ILE 31 -1.270 -2.997 6.077 226 2HD1 ILE 31 2HD1 ILE 31 -1.279 -2.793 4.333 227 3HD1 ILE 31 3HD1 ILE 31 -2.054 -1.605 5.360 228 H GLY 32 H GLY 32 3.150 -3.754 8.200 229 1HA GLY 32 1HA GLY 32 4.836 -5.570 6.638 230 2HA GLY 32 2HA GLY 32 5.449 -4.477 7.858 231 H LYS 33 H LYS 33 3.164 -5.171 9.623 232 HA LYS 33 HA LYS 33 4.288 -7.568 10.843 233 1HB LYS 33 1HB LYS 33 4.164 -5.488 12.070 234 2HB LYS 33 2HB LYS 33 2.417 -5.518 11.915 235 1HG LYS 33 1HG LYS 33 2.218 -7.453 13.341 236 2HG LYS 33 2HG LYS 33 3.936 -7.816 13.214 237 1HD LYS 33 1HD LYS 33 4.472 -5.766 14.435 238 2HD LYS 33 2HD LYS 33 2.780 -5.296 14.465 239 1HE LYS 33 1HE LYS 33 3.438 -6.308 16.641 240 2HE LYS 33 2HE LYS 33 2.265 -7.340 15.837 241 1HZ LYS 33 1HZ LYS 33 4.376 -8.366 16.829 242 2HZ LYS 33 2HZ LYS 33 5.141 -7.784 15.427 243 3HZ LYS 33 3HZ LYS 33 3.851 -8.882 15.297 244 H LEU 34 H LEU 34 2.027 -7.148 8.583 245 HA LEU 34 HA LEU 34 -0.243 -8.391 9.710 246 1HB LEU 34 1HB LEU 34 -0.657 -8.614 7.037 247 2HB LEU 34 2HB LEU 34 -0.952 -7.166 7.975 248 HG LEU 34 HG LEU 34 1.161 -6.200 7.309 249 1HD1 LEU 34 1HD1 LEU 34 2.590 -8.220 7.137 250 2HD1 LEU 34 2HD1 LEU 34 2.650 -7.336 5.634 251 3HD1 LEU 34 3HD1 LEU 34 1.652 -8.757 5.775 252 1HD2 LEU 34 1HD2 LEU 34 -0.430 -7.297 4.960 253 2HD2 LEU 34 2HD2 LEU 34 0.668 -5.938 4.873 254 3HD2 LEU 34 3HD2 LEU 34 -0.776 -5.847 5.866 255 H GLN 35 H GLN 35 -0.883 -10.347 9.714 256 HA GLN 35 HA GLN 35 0.942 -12.534 9.106 257 1HB GLN 35 1HB GLN 35 -0.676 -13.918 10.391 258 2HB GLN 35 2HB GLN 35 -0.198 -12.490 11.286 259 1HG GLN 35 1HG GLN 35 -2.305 -11.329 10.580 260 2HG GLN 35 2HG GLN 35 -2.793 -12.765 9.688 261 1HE2 GLN 35 1HE2 GLN 35 -2.094 -11.562 12.973 262 2HE2 GLN 35 2HE2 GLN 35 -3.004 -12.750 13.774 263 H GLY 36 H GLY 36 0.279 -14.431 7.958 264 1HA GLY 36 1HA GLY 36 -0.767 -15.634 6.265 265 2HA GLY 36 2HA GLY 36 -2.109 -14.496 6.345 266 H VAL 37 H VAL 37 0.796 -12.912 6.075 267 HA VAL 37 HA VAL 37 0.401 -12.363 3.212 268 HB VAL 37 HB VAL 37 1.707 -10.751 5.523 269 1HG1 VAL 37 1HG1 VAL 37 2.283 -9.096 3.782 270 2HG1 VAL 37 2HG1 VAL 37 1.672 -10.162 2.523 271 3HG1 VAL 37 3HG1 VAL 37 3.122 -10.589 3.417 272 1HG2 VAL 37 1HG2 VAL 37 -0.558 -10.304 3.541 273 2HG2 VAL 37 2HG2 VAL 37 -0.074 -9.219 4.819 274 3HG2 VAL 37 3HG2 VAL 37 -0.744 -10.784 5.219 275 H GLN 38 H GLN 38 2.009 -12.555 1.742 276 HA GLN 38 HA GLN 38 4.187 -14.400 2.504 277 1HB GLN 38 1HB GLN 38 3.103 -13.560 -0.220 278 2HB GLN 38 2HB GLN 38 4.300 -14.816 0.067 279 1HG GLN 38 1HG GLN 38 2.673 -16.140 1.317 280 2HG GLN 38 2HG GLN 38 1.486 -14.843 1.235 281 1HE2 GLN 38 1HE2 GLN 38 1.099 -14.059 -1.151 282 2HE2 GLN 38 2HE2 GLN 38 0.914 -15.296 -2.298 283 H ARG 39 H ARG 39 4.127 -12.082 -0.058 284 HA ARG 39 HA ARG 39 6.808 -11.091 0.777 285 1HB ARG 39 1HB ARG 39 6.322 -11.995 -1.615 286 2HB ARG 39 2HB ARG 39 5.436 -10.509 -1.870 287 1HG ARG 39 1HG ARG 39 7.623 -10.279 -2.830 288 2HG ARG 39 2HG ARG 39 7.443 -9.145 -1.523 289 1HD ARG 39 1HD ARG 39 8.816 -11.841 -1.164 290 2HD ARG 39 2HD ARG 39 9.688 -10.387 -1.638 291 HE ARG 39 HE ARG 39 8.233 -9.722 0.679 292 1HH1 ARG 39 1HH1 ARG 39 10.743 -11.904 -0.287 293 2HH1 ARG 39 2HH1 ARG 39 11.481 -11.922 1.280 294 1HH2 ARG 39 1HH2 ARG 39 9.146 -9.730 2.663 295 2HH2 ARG 39 2HH2 ARG 39 10.563 -10.674 2.975 296 H ILE 40 H ILE 40 7.281 -8.775 0.272 297 HA ILE 40 HA ILE 40 5.073 -6.884 0.532 298 HB ILE 40 HB ILE 40 5.386 -7.518 2.843 299 1HG1 ILE 40 1HG1 ILE 40 6.854 -4.861 2.411 300 2HG1 ILE 40 2HG1 ILE 40 5.120 -5.021 2.277 301 1HG2 ILE 40 1HG2 ILE 40 7.589 -7.372 4.003 302 2HG2 ILE 40 2HG2 ILE 40 8.364 -6.929 2.497 303 3HG2 ILE 40 3HG2 ILE 40 7.641 -8.517 2.685 304 1HD1 ILE 40 1HD1 ILE 40 5.717 -4.193 4.505 305 2HD1 ILE 40 2HD1 ILE 40 6.774 -5.567 4.777 306 3HD1 ILE 40 3HD1 ILE 40 5.040 -5.812 4.623 307 H LYS 41 H LYS 41 5.490 -5.074 -0.452 308 HA LYS 41 HA LYS 41 8.273 -4.105 -0.847 309 1HB LYS 41 1HB LYS 41 6.164 -4.341 -3.070 310 2HB LYS 41 2HB LYS 41 7.693 -3.515 -3.231 311 1HG LYS 41 1HG LYS 41 8.314 -5.538 -4.152 312 2HG LYS 41 2HG LYS 41 8.719 -5.862 -2.487 313 1HD LYS 41 1HD LYS 41 7.524 -7.782 -3.235 314 2HD LYS 41 2HD LYS 41 6.371 -6.923 -2.238 315 1HE LYS 41 1HE LYS 41 5.270 -7.637 -4.310 316 2HE LYS 41 2HE LYS 41 5.413 -5.889 -4.355 317 1HZ LYS 41 1HZ LYS 41 6.105 -7.276 -6.378 318 2HZ LYS 41 2HZ LYS 41 7.539 -7.541 -5.506 319 3HZ LYS 41 3HZ LYS 41 7.065 -5.959 -5.900 320 H VAL 42 H VAL 42 8.318 -1.871 -0.699 321 HA VAL 42 HA VAL 42 5.730 -0.424 -0.610 322 HB VAL 42 HB VAL 42 7.875 -0.328 1.555 323 1HG1 VAL 42 1HG1 VAL 42 5.207 1.154 1.360 324 2HG1 VAL 42 2HG1 VAL 42 6.793 1.895 1.218 325 3HG1 VAL 42 3HG1 VAL 42 6.289 1.198 2.744 326 1HG2 VAL 42 1HG2 VAL 42 6.459 -2.361 1.748 327 2HG2 VAL 42 2HG2 VAL 42 5.007 -1.374 1.681 328 3HG2 VAL 42 3HG2 VAL 42 6.100 -1.250 3.051 329 H SER 43 H SER 43 5.795 1.543 -1.422 330 HA SER 43 HA SER 43 8.386 2.543 -2.520 331 1HB SER 43 1HB SER 43 6.449 2.137 -4.124 332 2HB SER 43 2HB SER 43 5.551 3.387 -3.244 333 HG SER 43 HG SER 43 7.041 4.876 -3.793 334 H LEU 44 H LEU 44 8.485 4.945 -2.651 335 HA LEU 44 HA LEU 44 7.965 6.114 0.026 336 1HB LEU 44 1HB LEU 44 9.689 6.974 -2.343 337 2HB LEU 44 2HB LEU 44 9.505 7.963 -0.915 338 HG LEU 44 HG LEU 44 10.430 6.073 0.477 339 1HD1 LEU 44 1HD1 LEU 44 11.716 4.281 -0.675 340 2HD1 LEU 44 2HD1 LEU 44 11.092 4.818 -2.224 341 3HD1 LEU 44 3HD1 LEU 44 10.014 4.130 -1.019 342 1HD2 LEU 44 1HD2 LEU 44 11.856 7.950 -0.259 343 2HD2 LEU 44 2HD2 LEU 44 12.214 7.112 -1.761 344 3HD2 LEU 44 3HD2 LEU 44 12.780 6.460 -0.232 345 H ASP 45 H ASP 45 7.854 8.755 -0.605 346 HA ASP 45 HA ASP 45 6.402 10.472 -1.086 347 1HB ASP 45 1HB ASP 45 5.834 8.803 -3.598 348 2HB ASP 45 2HB ASP 45 5.474 10.505 -3.397 349 H ASN 46 H ASN 46 4.246 8.293 -2.776 350 HA ASN 46 HA ASN 46 2.138 8.863 -0.748 351 1HB ASN 46 1HB ASN 46 1.842 7.776 -3.583 352 2HB ASN 46 2HB ASN 46 0.566 8.384 -2.536 353 1HD2 ASN 46 1HD2 ASN 46 0.734 10.725 -1.866 354 2HD2 ASN 46 2HD2 ASN 46 1.418 11.822 -2.964 355 H GLN 47 H GLN 47 4.162 6.928 -0.279 356 HA GLN 47 HA GLN 47 4.567 4.685 0.153 357 1HB GLN 47 1HB GLN 47 3.316 5.874 2.043 358 2HB GLN 47 2HB GLN 47 1.862 5.122 1.451 359 1HG GLN 47 1HG GLN 47 2.588 3.801 3.288 360 2HG GLN 47 2HG GLN 47 2.968 2.834 1.877 361 1HE2 GLN 47 1HE2 GLN 47 4.183 2.668 4.530 362 2HE2 GLN 47 2HE2 GLN 47 5.839 2.983 4.336 363 H GLU 48 H GLU 48 3.969 4.319 -2.307 364 HA GLU 48 HA GLU 48 1.547 2.736 -2.742 365 1HB GLU 48 1HB GLU 48 2.828 4.016 -4.593 366 2HB GLU 48 2HB GLU 48 4.063 2.782 -4.519 367 1HG GLU 48 1HG GLU 48 1.138 2.311 -5.247 368 2HG GLU 48 2HG GLU 48 2.482 2.316 -6.357 369 H ALA 49 H ALA 49 1.499 1.154 -1.327 370 HA ALA 49 HA ALA 49 3.800 -0.658 -0.961 371 1HB ALA 49 1HB ALA 49 2.453 -1.552 0.899 372 2HB ALA 49 2HB ALA 49 1.119 -0.509 0.424 373 3HB ALA 49 3HB ALA 49 2.624 0.192 1.008 374 H THR 50 H THR 50 3.983 -2.408 -2.070 375 HA THR 50 HA THR 50 1.564 -3.734 -3.258 376 HB THR 50 HB THR 50 4.458 -3.676 -4.331 377 HG1 THR 50 HG1 THR 50 2.960 -1.820 -4.432 378 1HG2 THR 50 1HG2 THR 50 3.447 -4.821 -6.308 379 2HG2 THR 50 2HG2 THR 50 1.854 -4.774 -5.574 380 3HG2 THR 50 3HG2 THR 50 3.092 -5.824 -4.914 381 H ILE 51 H ILE 51 1.152 -5.007 -1.573 382 HA ILE 51 HA ILE 51 3.246 -6.879 -0.581 383 HB ILE 51 HB ILE 51 0.569 -5.928 0.525 384 1HG1 ILE 51 1HG1 ILE 51 1.902 -5.398 2.542 385 2HG1 ILE 51 2HG1 ILE 51 3.338 -6.032 1.777 386 1HG2 ILE 51 1HG2 ILE 51 0.842 -7.492 2.408 387 2HG2 ILE 51 2HG2 ILE 51 2.238 -8.202 1.610 388 3HG2 ILE 51 3HG2 ILE 51 0.635 -8.375 0.905 389 1HD1 ILE 51 1HD1 ILE 51 1.740 -3.663 0.779 390 2HD1 ILE 51 2HD1 ILE 51 3.246 -4.256 0.078 391 3HD1 ILE 51 3HD1 ILE 51 3.249 -3.572 1.684 392 H VAL 52 H VAL 52 3.113 -9.022 -0.951 393 HA VAL 52 HA VAL 52 0.943 -9.996 -2.697 394 HB VAL 52 HB VAL 52 3.636 -11.226 -1.979 395 1HG1 VAL 52 1HG1 VAL 52 3.204 -12.774 -3.830 396 2HG1 VAL 52 2HG1 VAL 52 1.621 -12.052 -4.085 397 3HG1 VAL 52 3HG1 VAL 52 1.966 -12.910 -2.595 398 1HG2 VAL 52 1HG2 VAL 52 2.702 -9.789 -4.504 399 2HG2 VAL 52 2HG2 VAL 52 4.273 -10.564 -4.315 400 3HG2 VAL 52 3HG2 VAL 52 3.858 -9.155 -3.346 401 H TYR 53 H TYR 53 -0.419 -11.411 -1.836 402 HA TYR 53 HA TYR 53 0.318 -12.884 0.588 403 1HB TYR 53 1HB TYR 53 -1.482 -11.926 1.993 404 2HB TYR 53 2HB TYR 53 -0.319 -10.710 1.508 405 HD1 TYR 53 HD1 TYR 53 -3.776 -11.741 1.430 406 HD2 TYR 53 HD2 TYR 53 -0.980 -9.077 -0.368 407 HE1 TYR 53 HE1 TYR 53 -5.615 -10.364 0.594 408 HE2 TYR 53 HE2 TYR 53 -2.828 -7.703 -1.194 409 HH TYR 53 HH TYR 53 -5.869 -8.683 -1.462 410 H GLN 54 H GLN 54 -1.570 -13.917 1.597 411 HA GLN 54 HA GLN 54 -2.985 -15.518 -0.454 412 1HB GLN 54 1HB GLN 54 -2.615 -15.900 2.536 413 2HB GLN 54 2HB GLN 54 -3.315 -17.080 1.438 414 1HG GLN 54 1HG GLN 54 -1.237 -17.450 0.318 415 2HG GLN 54 2HG GLN 54 -0.520 -15.972 0.930 416 1HE2 GLN 54 1HE2 GLN 54 0.181 -15.907 3.144 417 2HE2 GLN 54 2HE2 GLN 54 0.442 -17.323 4.038 418 HA PRO 55 HA PRO 55 -6.279 -12.594 0.489 419 1HB PRO 55 1HB PRO 55 -8.238 -13.649 -1.170 420 2HB PRO 55 2HB PRO 55 -6.949 -12.574 -1.702 421 1HG PRO 55 1HG PRO 55 -7.141 -15.551 -1.924 422 2HG PRO 55 2HG PRO 55 -6.466 -14.412 -3.079 423 1HD PRO 55 1HD PRO 55 -4.908 -15.961 -1.390 424 2HD PRO 55 2HD PRO 55 -4.387 -14.363 -1.968 425 H HIS 56 H HIS 56 -7.150 -15.978 0.195 426 HA HIS 56 HA HIS 56 -9.436 -16.046 1.851 427 1HB HIS 56 1HB HIS 56 -8.919 -18.525 2.007 428 2HB HIS 56 2HB HIS 56 -8.883 -17.901 0.366 429 HD1 HIS 56 HD1 HIS 56 -6.805 -18.540 -0.832 430 HD2 HIS 56 HD2 HIS 56 -6.085 -18.494 3.184 431 HE1 HIS 56 HE1 HIS 56 -4.475 -19.289 -0.536 432 H LEU 57 H LEU 57 -6.142 -15.841 2.672 433 HA LEU 57 HA LEU 57 -6.507 -16.649 5.447 434 1HB LEU 57 1HB LEU 57 -4.470 -16.825 3.585 435 2HB LEU 57 2HB LEU 57 -3.948 -15.456 4.512 436 HG LEU 57 HG LEU 57 -3.834 -16.723 6.577 437 1HD1 LEU 57 1HD1 LEU 57 -5.804 -18.305 6.224 438 2HD1 LEU 57 2HD1 LEU 57 -4.342 -19.164 6.632 439 3HD1 LEU 57 3HD1 LEU 57 -4.889 -19.117 4.966 440 1HD2 LEU 57 1HD2 LEU 57 -1.955 -16.893 4.928 441 2HD2 LEU 57 2HD2 LEU 57 -2.725 -18.297 4.211 442 3HD2 LEU 57 3HD2 LEU 57 -2.111 -18.381 5.855 443 H ILE 58 H ILE 58 -5.800 -13.783 3.605 444 HA ILE 58 HA ILE 58 -6.902 -12.065 5.656 445 HB ILE 58 HB ILE 58 -4.654 -12.423 6.560 446 1HG1 ILE 58 1HG1 ILE 58 -4.819 -9.598 5.393 447 2HG1 ILE 58 2HG1 ILE 58 -5.767 -10.135 6.767 448 1HG2 ILE 58 1HG2 ILE 58 -2.631 -11.691 5.233 449 2HG2 ILE 58 2HG2 ILE 58 -3.663 -11.296 3.881 450 3HG2 ILE 58 3HG2 ILE 58 -3.497 -12.962 4.404 451 1HD1 ILE 58 1HD1 ILE 58 -3.648 -10.581 8.001 452 2HD1 ILE 58 2HD1 ILE 58 -3.776 -8.907 7.487 453 3HD1 ILE 58 3HD1 ILE 58 -2.732 -10.006 6.609 454 H SER 59 H SER 59 -6.914 -9.816 5.048 455 HA SER 59 HA SER 59 -6.685 -9.267 2.110 456 1HB SER 59 1HB SER 59 -8.741 -7.844 2.379 457 2HB SER 59 2HB SER 59 -9.069 -9.562 2.659 458 HG SER 59 HG SER 59 -8.254 -8.612 4.954 459 H VAL 60 H VAL 60 -5.068 -7.996 1.975 460 HA VAL 60 HA VAL 60 -4.136 -6.238 4.023 461 HB VAL 60 HB VAL 60 -3.492 -6.414 1.045 462 1HG1 VAL 60 1HG1 VAL 60 -1.381 -5.190 1.593 463 2HG1 VAL 60 2HG1 VAL 60 -1.907 -5.003 3.257 464 3HG1 VAL 60 3HG1 VAL 60 -2.758 -4.177 1.962 465 1HG2 VAL 60 1HG2 VAL 60 -2.061 -7.496 3.514 466 2HG2 VAL 60 2HG2 VAL 60 -1.489 -7.664 1.865 467 3HG2 VAL 60 3HG2 VAL 60 -2.969 -8.461 2.368 468 H GLU 61 H GLU 61 -6.573 -5.990 1.679 469 HA GLU 61 HA GLU 61 -6.582 -3.174 1.256 470 1HB GLU 61 1HB GLU 61 -7.799 -5.106 -0.031 471 2HB GLU 61 2HB GLU 61 -9.013 -5.011 1.220 472 1HG GLU 61 1HG GLU 61 -8.134 -2.770 -0.639 473 2HG GLU 61 2HG GLU 61 -9.644 -3.658 -0.749 474 H GLU 62 H GLU 62 -8.022 -5.338 3.636 475 HA GLU 62 HA GLU 62 -9.608 -3.363 4.974 476 1HB GLU 62 1HB GLU 62 -9.896 -5.840 5.152 477 2HB GLU 62 2HB GLU 62 -8.367 -5.956 5.976 478 1HG GLU 62 1HG GLU 62 -10.400 -5.950 7.537 479 2HG GLU 62 2HG GLU 62 -9.160 -4.782 7.933 480 H MET 63 H MET 63 -6.389 -4.635 5.297 481 HA MET 63 HA MET 63 -5.583 -3.213 7.609 482 1HB MET 63 1HB MET 63 -4.106 -4.432 5.338 483 2HB MET 63 2HB MET 63 -3.240 -3.607 6.618 484 1HG MET 63 1HG MET 63 -3.495 -6.095 6.929 485 2HG MET 63 2HG MET 63 -4.001 -5.122 8.273 486 1HE MET 63 1HE MET 63 -7.086 -4.516 8.296 487 2HE MET 63 2HE MET 63 -5.901 -5.192 9.422 488 3HE MET 63 3HE MET 63 -7.377 -6.060 9.089 489 H LYS 64 H LYS 64 -5.897 -2.391 4.288 490 HA LYS 64 HA LYS 64 -4.483 0.187 4.548 491 1HB LYS 64 1HB LYS 64 -5.799 -1.293 2.236 492 2HB LYS 64 2HB LYS 64 -5.295 0.371 2.065 493 1HG LYS 64 1HG LYS 64 -3.386 -1.821 2.976 494 2HG LYS 64 2HG LYS 64 -3.610 -1.406 1.288 495 1HD LYS 64 1HD LYS 64 -2.964 0.962 1.801 496 2HD LYS 64 2HD LYS 64 -2.684 0.525 3.474 497 1HE LYS 64 1HE LYS 64 -0.943 -1.113 2.745 498 2HE LYS 64 2HE LYS 64 -1.214 -0.637 1.081 499 1HZ LYS 64 1HZ LYS 64 0.625 0.465 2.573 500 2HZ LYS 64 2HZ LYS 64 -0.664 1.492 2.984 501 3HZ LYS 64 3HZ LYS 64 -0.194 1.327 1.361 502 H LYS 65 H LYS 65 -7.671 -1.106 4.800 503 HA LYS 65 HA LYS 65 -9.165 1.172 4.054 504 1HB LYS 65 1HB LYS 65 -10.062 -1.142 4.328 505 2HB LYS 65 2HB LYS 65 -9.800 -1.016 6.055 506 1HG LYS 65 1HG LYS 65 -11.414 0.870 6.160 507 2HG LYS 65 2HG LYS 65 -11.648 0.756 4.419 508 1HD LYS 65 1HD LYS 65 -12.464 -1.607 4.724 509 2HD LYS 65 2HD LYS 65 -12.280 -1.419 6.461 510 1HE LYS 65 1HE LYS 65 -13.911 0.442 6.462 511 2HE LYS 65 2HE LYS 65 -14.116 0.266 4.722 512 1HZ LYS 65 1HZ LYS 65 -14.735 -2.102 5.208 513 2HZ LYS 65 2HZ LYS 65 -15.847 -0.917 5.707 514 3HZ LYS 65 3HZ LYS 65 -14.826 -1.659 6.846 515 H GLN 66 H GLN 66 -7.875 0.156 7.167 516 HA GLN 66 HA GLN 66 -8.978 2.314 8.643 517 1HB GLN 66 1HB GLN 66 -6.397 0.847 9.284 518 2HB GLN 66 2HB GLN 66 -7.577 1.470 10.420 519 1HG GLN 66 1HG GLN 66 -7.958 -0.944 8.588 520 2HG GLN 66 2HG GLN 66 -7.796 -0.967 10.314 521 1HE2 GLN 66 1HE2 GLN 66 -9.640 -0.314 11.616 522 2HE2 GLN 66 2HE2 GLN 66 -11.182 -0.127 10.934 523 H ILE 67 H ILE 67 -6.066 1.804 6.847 524 HA ILE 67 HA ILE 67 -4.650 4.180 7.605 525 HB ILE 67 HB ILE 67 -4.546 2.312 5.226 526 1HG1 ILE 67 1HG1 ILE 67 -2.895 2.606 7.782 527 2HG1 ILE 67 2HG1 ILE 67 -4.060 1.348 7.483 528 1HG2 ILE 67 1HG2 ILE 67 -2.541 4.487 5.976 529 2HG2 ILE 67 2HG2 ILE 67 -3.549 4.447 4.535 530 3HG2 ILE 67 3HG2 ILE 67 -2.279 3.271 4.732 531 1HD1 ILE 67 1HD1 ILE 67 -1.492 1.731 5.932 532 2HD1 ILE 67 2HD1 ILE 67 -2.674 0.473 5.624 533 3HD1 ILE 67 3HD1 ILE 67 -1.782 0.493 7.134 534 H GLU 68 H GLU 68 -7.050 3.349 5.303 535 HA GLU 68 HA GLU 68 -7.013 5.910 3.864 536 1HB GLU 68 1HB GLU 68 -8.838 3.512 3.824 537 2HB GLU 68 2HB GLU 68 -9.106 4.934 2.839 538 1HG GLU 68 1HG GLU 68 -7.020 4.594 1.673 539 2HG GLU 68 2HG GLU 68 -6.474 3.359 2.749 540 H ALA 69 H ALA 69 -8.480 4.610 6.656 541 HA ALA 69 HA ALA 69 -10.737 6.454 6.710 542 1HB ALA 69 1HB ALA 69 -11.093 5.532 8.975 543 2HB ALA 69 2HB ALA 69 -9.543 4.711 8.897 544 3HB ALA 69 3HB ALA 69 -10.841 4.238 7.809 545 H MET 70 H MET 70 -7.497 6.251 8.092 546 HA MET 70 HA MET 70 -7.801 8.527 9.770 547 1HB MET 70 1HB MET 70 -5.380 8.175 10.138 548 2HB MET 70 2HB MET 70 -6.303 6.703 10.323 549 1HG MET 70 1HG MET 70 -5.668 5.999 8.117 550 2HG MET 70 2HG MET 70 -4.719 7.438 7.864 551 1HE MET 70 1HE MET 70 -1.348 6.600 9.114 552 2HE MET 70 2HE MET 70 -2.465 7.928 8.899 553 3HE MET 70 3HE MET 70 -2.166 6.779 7.570 554 H GLY 71 H GLY 71 -7.367 8.187 6.440 555 1HA GLY 71 1HA GLY 71 -7.597 10.389 5.270 556 2HA GLY 71 2HA GLY 71 -6.280 10.974 6.255 557 H PHE 72 H PHE 72 -5.945 7.795 4.871 558 HA PHE 72 HA PHE 72 -4.176 8.935 2.738 559 1HB PHE 72 1HB PHE 72 -3.677 6.460 4.458 560 2HB PHE 72 2HB PHE 72 -2.749 6.939 3.085 561 HD1 PHE 72 HD1 PHE 72 -4.001 8.597 6.235 562 HD2 PHE 72 HD2 PHE 72 -0.746 8.000 3.545 563 HE1 PHE 72 HE1 PHE 72 -2.586 9.993 7.637 564 HE2 PHE 72 HE2 PHE 72 0.669 9.395 4.954 565 HZ PHE 72 HZ PHE 72 -0.251 10.407 7.019 566 HA PRO 73 HA PRO 73 -7.615 6.331 0.857 567 1HB PRO 73 1HB PRO 73 -6.969 8.065 -1.413 568 2HB PRO 73 2HB PRO 73 -8.522 7.641 -0.707 569 1HG PRO 73 1HG PRO 73 -7.230 10.117 -0.338 570 2HG PRO 73 2HG PRO 73 -8.535 9.501 0.654 571 1HD PRO 73 1HD PRO 73 -5.713 9.793 1.395 572 2HD PRO 73 2HD PRO 73 -7.092 9.369 2.423 573 H ALA 74 H ALA 74 -7.100 4.597 -0.171 574 HA ALA 74 HA ALA 74 -4.462 4.367 -1.567 575 1HB ALA 74 1HB ALA 74 -5.903 2.217 0.048 576 2HB ALA 74 2HB ALA 74 -4.504 3.129 0.594 577 3HB ALA 74 3HB ALA 74 -4.357 2.029 -0.765 578 H PHE 75 H PHE 75 -4.642 4.142 -3.481 579 HA PHE 75 HA PHE 75 -7.099 3.380 -4.862 580 1HB PHE 75 1HB PHE 75 -4.388 3.957 -6.156 581 2HB PHE 75 2HB PHE 75 -5.980 4.185 -6.852 582 HD1 PHE 75 HD1 PHE 75 -7.560 5.707 -5.067 583 HD2 PHE 75 HD2 PHE 75 -3.340 5.971 -5.608 584 HE1 PHE 75 HE1 PHE 75 -7.585 7.998 -4.195 585 HE2 PHE 75 HE2 PHE 75 -3.371 8.259 -4.735 586 HZ PHE 75 HZ PHE 75 -5.493 9.280 -4.026 587 H VAL 76 H VAL 76 -7.108 1.301 -3.871 588 HA VAL 76 HA VAL 76 -5.186 -0.752 -4.700 589 HB VAL 76 HB VAL 76 -7.811 -0.929 -3.137 590 1HG1 VAL 76 1HG1 VAL 76 -5.600 -3.004 -3.482 591 2HG1 VAL 76 2HG1 VAL 76 -7.229 -3.131 -4.120 592 3HG1 VAL 76 3HG1 VAL 76 -6.967 -3.164 -2.394 593 1HG2 VAL 76 1HG2 VAL 76 -6.340 -1.096 -1.139 594 2HG2 VAL 76 2HG2 VAL 76 -6.084 0.424 -1.972 595 3HG2 VAL 76 3HG2 VAL 76 -4.925 -0.880 -2.155 596 H LYS 77 H LYS 77 -5.788 -2.612 -5.833 597 HA LYS 77 HA LYS 77 -6.632 -3.827 -7.582 598 1HB LYS 77 1HB LYS 77 -8.769 -3.748 -6.280 599 2HB LYS 77 2HB LYS 77 -9.205 -2.237 -7.043 600 1HG LYS 77 1HG LYS 77 -10.402 -4.041 -8.124 601 2HG LYS 77 2HG LYS 77 -9.275 -3.340 -9.258 602 1HD LYS 77 1HD LYS 77 -7.658 -5.231 -8.753 603 2HD LYS 77 2HD LYS 77 -8.854 -5.918 -7.669 604 1HE LYS 77 1HE LYS 77 -8.960 -7.007 -9.880 605 2HE LYS 77 2HE LYS 77 -10.441 -6.102 -9.607 606 1HZ LYS 77 1HZ LYS 77 -9.653 -4.345 -10.962 607 2HZ LYS 77 2HZ LYS 77 -9.437 -5.791 -11.825 608 3HZ LYS 77 3HZ LYS 77 -8.108 -5.036 -11.083 609 H LYS 78 H LYS 78 -6.536 -3.755 -9.727 610 HA LYS 78 HA LYS 78 -5.650 -1.464 -11.090 611 1HB LYS 78 1HB LYS 78 -7.009 -3.919 -12.289 612 2HB LYS 78 2HB LYS 78 -5.984 -2.813 -13.166 613 1HG LYS 78 1HG LYS 78 -5.135 -4.624 -10.854 614 2HG LYS 78 2HG LYS 78 -4.745 -4.862 -12.538 615 1HD LYS 78 1HD LYS 78 -3.772 -2.536 -10.807 616 2HD LYS 78 2HD LYS 78 -2.820 -3.907 -11.323 617 1HE LYS 78 1HE LYS 78 -4.029 -1.825 -13.195 618 2HE LYS 78 2HE LYS 78 -2.336 -1.978 -12.761 619 1HZ LYS 78 1HZ LYS 78 -2.548 -3.043 -14.792 620 2HZ LYS 78 2HZ LYS 78 -3.976 -3.846 -14.342 621 3HZ LYS 78 3HZ LYS 78 -2.491 -4.306 -13.658 622 H GLN 79 H GLN 79 -8.800 -3.002 -11.093 623 HA GLN 79 HA GLN 79 -10.068 -0.888 -12.664 624 1HB GLN 79 1HB GLN 79 -11.237 -3.262 -11.153 625 2HB GLN 79 2HB GLN 79 -12.128 -2.248 -12.274 626 1HG GLN 79 1HG GLN 79 -10.667 -2.915 -14.132 627 2HG GLN 79 2HG GLN 79 -9.667 -3.875 -13.051 628 1HE2 GLN 79 1HE2 GLN 79 -12.642 -3.821 -14.858 629 2HE2 GLN 79 2HE2 GLN 79 -13.167 -5.377 -14.428 630 HA PRO 80 HA PRO 80 -11.180 1.821 -9.403 631 1HB PRO 80 1HB PRO 80 -13.947 2.259 -10.033 632 2HB PRO 80 2HB PRO 80 -12.569 3.237 -10.505 633 1HG PRO 80 1HG PRO 80 -14.128 1.381 -12.131 634 2HG PRO 80 2HG PRO 80 -12.946 2.572 -12.651 635 1HD PRO 80 1HD PRO 80 -12.590 -0.247 -12.598 636 2HD PRO 80 2HD PRO 80 -11.322 0.958 -12.875 637 H LYS 81 H LYS 81 -14.137 -0.100 -9.905 638 HA LYS 81 HA LYS 81 -14.464 -0.427 -7.001 639 1HB LYS 81 1HB LYS 81 -16.405 0.021 -8.563 640 2HB LYS 81 2HB LYS 81 -16.112 -1.506 -9.357 641 1HG LYS 81 1HG LYS 81 -17.962 -1.737 -7.771 642 2HG LYS 81 2HG LYS 81 -16.632 -2.712 -7.194 643 1HD LYS 81 1HD LYS 81 -15.986 -0.880 -5.605 644 2HD LYS 81 2HD LYS 81 -17.346 0.072 -6.176 645 1HE LYS 81 1HE LYS 81 -17.540 -2.678 -4.863 646 2HE LYS 81 2HE LYS 81 -17.897 -1.149 -4.076 647 1HZ LYS 81 1HZ LYS 81 -19.935 -1.988 -4.764 648 2HZ LYS 81 2HZ LYS 81 -19.352 -2.441 -6.292 649 3HZ LYS 81 3HZ LYS 81 -19.561 -0.798 -5.915 650 H TYR 82 H TYR 82 -15.505 -3.218 -8.585 651 HA TYR 82 HA TYR 82 -14.884 -5.441 -8.297 652 1HB TYR 82 1HB TYR 82 -12.293 -4.209 -9.371 653 2HB TYR 82 2HB TYR 82 -12.672 -5.923 -9.410 654 HD1 TYR 82 HD1 TYR 82 -14.129 -6.816 -11.093 655 HD2 TYR 82 HD2 TYR 82 -13.808 -2.591 -10.644 656 HE1 TYR 82 HE1 TYR 82 -15.380 -6.495 -13.172 657 HE2 TYR 82 HE2 TYR 82 -15.056 -2.277 -12.721 658 HH TYR 82 HH TYR 82 -16.938 -4.277 -14.060 659 H LEU 83 H LEU 83 -14.899 -4.260 -5.935 660 HA LEU 83 HA LEU 83 -12.531 -4.354 -4.359 661 1HB LEU 83 1HB LEU 83 -14.781 -3.251 -3.806 662 2HB LEU 83 2HB LEU 83 -15.420 -4.833 -3.459 663 HG LEU 83 HG LEU 83 -14.822 -3.635 -1.389 664 1HD1 LEU 83 1HD1 LEU 83 -13.425 -5.314 -0.275 665 2HD1 LEU 83 2HD1 LEU 83 -12.894 -5.949 -1.811 666 3HD1 LEU 83 3HD1 LEU 83 -14.579 -6.103 -1.333 667 1HD2 LEU 83 1HD2 LEU 83 -12.470 -3.085 -0.844 668 2HD2 LEU 83 2HD2 LEU 83 -13.015 -2.205 -2.261 669 3HD2 LEU 83 3HD2 LEU 83 -11.962 -3.600 -2.441 670 H LYS 84 H LYS 84 -11.323 -6.109 -4.341 671 HA LYS 84 HA LYS 84 -12.289 -8.804 -4.649 672 1HB LYS 84 1HB LYS 84 -10.023 -8.009 -5.321 673 2HB LYS 84 2HB LYS 84 -9.582 -7.811 -3.637 674 1HG LYS 84 1HG LYS 84 -10.056 -10.272 -3.270 675 2HG LYS 84 2HG LYS 84 -10.382 -10.437 -4.982 676 1HD LYS 84 1HD LYS 84 -7.732 -9.557 -3.756 677 2HD LYS 84 2HD LYS 84 -8.081 -11.144 -4.410 678 1HE LYS 84 1HE LYS 84 -8.464 -10.140 -6.667 679 2HE LYS 84 2HE LYS 84 -8.070 -8.551 -6.024 680 1HZ LYS 84 1HZ LYS 84 -5.910 -9.608 -5.288 681 2HZ LYS 84 2HZ LYS 84 -6.116 -9.306 -6.947 682 3HZ LYS 84 3HZ LYS 84 -6.306 -10.880 -6.343 Start of MODEL 8 1 1H GLY 1 1H GLY 1 9.799 -23.218 -7.892 2 2H GLY 1 2H GLY 1 9.410 -21.568 -7.785 3 3H GLY 1 3H GLY 1 10.729 -22.187 -6.913 4 1HA GLY 1 1HA GLY 1 11.940 -22.628 -8.911 5 2HA GLY 1 2HA GLY 1 10.544 -22.132 -9.873 6 H SER 2 H SER 2 13.314 -21.116 -8.226 7 HA SER 2 HA SER 2 14.334 -19.067 -7.811 8 1HB SER 2 1HB SER 2 12.730 -18.362 -10.347 9 2HB SER 2 2HB SER 2 14.103 -17.428 -9.727 10 HG SER 2 HG SER 2 15.321 -19.373 -9.803 11 H MET 3 H MET 3 11.744 -17.203 -9.158 12 HA MET 3 HA MET 3 11.174 -16.027 -6.500 13 1HB MET 3 1HB MET 3 10.272 -15.245 -9.320 14 2HB MET 3 2HB MET 3 9.909 -14.329 -7.869 15 1HG MET 3 1HG MET 3 12.362 -14.077 -7.458 16 2HG MET 3 2HG MET 3 12.678 -14.929 -8.943 17 1HE MET 3 1HE MET 3 10.539 -11.924 -7.615 18 2HE MET 3 2HE MET 3 11.391 -10.608 -8.398 19 3HE MET 3 3HE MET 3 12.251 -11.606 -7.238 20 H ALA 4 H ALA 4 10.290 -18.195 -5.992 21 HA ALA 4 HA ALA 4 7.856 -19.189 -7.116 22 1HB ALA 4 1HB ALA 4 7.781 -20.586 -5.047 23 2HB ALA 4 2HB ALA 4 9.057 -19.600 -4.346 24 3HB ALA 4 3HB ALA 4 9.383 -20.580 -5.766 25 H GLN 5 H GLN 5 6.478 -17.488 -7.324 26 HA GLN 5 HA GLN 5 4.986 -16.667 -4.876 27 1HB GLN 5 1HB GLN 5 5.863 -14.832 -7.173 28 2HB GLN 5 2HB GLN 5 4.788 -14.350 -5.873 29 1HG GLN 5 1HG GLN 5 6.602 -14.800 -4.207 30 2HG GLN 5 2HG GLN 5 7.683 -15.265 -5.512 31 1HE2 GLN 5 1HE2 GLN 5 5.825 -12.494 -4.229 32 2HE2 GLN 5 2HE2 GLN 5 6.801 -11.307 -4.947 33 H ALA 6 H ALA 6 3.881 -18.548 -5.736 34 HA ALA 6 HA ALA 6 1.893 -17.856 -7.868 35 1HB ALA 6 1HB ALA 6 3.067 -20.589 -7.206 36 2HB ALA 6 2HB ALA 6 3.460 -19.630 -8.624 37 3HB ALA 6 3HB ALA 6 1.840 -20.277 -8.425 38 H GLY 7 H GLY 7 -0.211 -18.547 -7.515 39 1HA GLY 7 1HA GLY 7 -2.049 -19.440 -6.296 40 2HA GLY 7 2HA GLY 7 -0.964 -19.842 -4.963 41 H GLU 8 H GLU 8 0.265 -17.488 -4.532 42 HA GLU 8 HA GLU 8 -1.599 -16.019 -2.941 43 1HB GLU 8 1HB GLU 8 0.471 -14.399 -2.772 44 2HB GLU 8 2HB GLU 8 0.561 -15.993 -2.071 45 1HG GLU 8 1HG GLU 8 2.625 -15.376 -3.343 46 2HG GLU 8 2HG GLU 8 1.889 -16.838 -3.946 47 H VAL 9 H VAL 9 -1.730 -13.677 -2.985 48 HA VAL 9 HA VAL 9 -2.461 -12.648 -5.680 49 HB VAL 9 HB VAL 9 -3.936 -11.048 -4.252 50 1HG1 VAL 9 1HG1 VAL 9 -4.460 -14.058 -4.132 51 2HG1 VAL 9 2HG1 VAL 9 -4.837 -13.013 -5.494 52 3HG1 VAL 9 3HG1 VAL 9 -5.679 -12.803 -3.970 53 1HG2 VAL 9 1HG2 VAL 9 -4.484 -11.844 -1.958 54 2HG2 VAL 9 2HG2 VAL 9 -2.764 -11.520 -2.013 55 3HG2 VAL 9 3HG2 VAL 9 -3.363 -13.165 -2.100 56 H VAL 10 H VAL 10 -1.338 -11.051 -6.501 57 HA VAL 10 HA VAL 10 0.525 -9.500 -4.764 58 HB VAL 10 HB VAL 10 1.785 -9.061 -6.909 59 1HG1 VAL 10 1HG1 VAL 10 1.113 -12.004 -6.523 60 2HG1 VAL 10 2HG1 VAL 10 2.344 -11.125 -5.634 61 3HG1 VAL 10 3HG1 VAL 10 2.531 -11.389 -7.353 62 1HG2 VAL 10 1HG2 VAL 10 -0.319 -10.839 -8.225 63 2HG2 VAL 10 2HG2 VAL 10 1.135 -10.233 -8.995 64 3HG2 VAL 10 3HG2 VAL 10 -0.126 -9.120 -8.531 65 H LEU 11 H LEU 11 -1.785 -8.634 -4.325 66 HA LEU 11 HA LEU 11 -2.956 -6.742 -6.110 67 1HB LEU 11 1HB LEU 11 -3.073 -6.635 -3.076 68 2HB LEU 11 2HB LEU 11 -4.238 -5.960 -4.189 69 HG LEU 11 HG LEU 11 -3.681 -8.915 -3.678 70 1HD1 LEU 11 1HD1 LEU 11 -6.041 -8.902 -2.909 71 2HD1 LEU 11 2HD1 LEU 11 -6.152 -7.185 -3.259 72 3HD1 LEU 11 3HD1 LEU 11 -5.075 -7.753 -1.996 73 1HD2 LEU 11 1HD2 LEU 11 -5.638 -7.706 -5.682 74 2HD2 LEU 11 2HD2 LEU 11 -5.493 -9.409 -5.302 75 3HD2 LEU 11 3HD2 LEU 11 -4.180 -8.585 -6.117 76 H LYS 12 H LYS 12 -2.634 -4.682 -6.520 77 HA LYS 12 HA LYS 12 -0.341 -3.242 -5.215 78 1HB LYS 12 1HB LYS 12 -0.363 -3.638 -7.751 79 2HB LYS 12 2HB LYS 12 -1.734 -2.539 -7.814 80 1HG LYS 12 1HG LYS 12 -0.402 -0.726 -6.808 81 2HG LYS 12 2HG LYS 12 0.896 -1.830 -6.439 82 1HD LYS 12 1HD LYS 12 1.575 -0.631 -8.340 83 2HD LYS 12 2HD LYS 12 1.185 -2.260 -8.864 84 1HE LYS 12 1HE LYS 12 -1.065 -1.464 -9.657 85 2HE LYS 12 2HE LYS 12 -0.643 0.166 -9.142 86 1HZ LYS 12 1HZ LYS 12 0.792 -1.419 -11.185 87 2HZ LYS 12 2HZ LYS 12 1.186 0.158 -10.690 88 3HZ LYS 12 3HZ LYS 12 -0.285 -0.141 -11.487 89 H MET 13 H MET 13 -0.712 -1.348 -4.219 90 HA MET 13 HA MET 13 -3.441 -0.178 -4.304 91 1HB MET 13 1HB MET 13 -1.928 -0.555 -1.718 92 2HB MET 13 2HB MET 13 -3.631 -0.184 -1.911 93 1HG MET 13 1HG MET 13 -3.986 -2.451 -2.880 94 2HG MET 13 2HG MET 13 -2.306 -2.824 -2.621 95 1HE MET 13 1HE MET 13 -5.176 -4.636 -0.255 96 2HE MET 13 2HE MET 13 -4.918 -4.360 -1.949 97 3HE MET 13 3HE MET 13 -5.865 -3.192 -0.996 98 H LYS 14 H LYS 14 -3.354 1.940 -4.448 99 HA LYS 14 HA LYS 14 -0.761 3.330 -3.907 100 1HB LYS 14 1HB LYS 14 -1.335 3.101 -6.267 101 2HB LYS 14 2HB LYS 14 -2.809 3.990 -5.958 102 1HG LYS 14 1HG LYS 14 -1.485 5.965 -5.163 103 2HG LYS 14 2HG LYS 14 0.000 5.084 -5.458 104 1HD LYS 14 1HD LYS 14 -2.048 5.778 -7.608 105 2HD LYS 14 2HD LYS 14 -0.607 6.719 -7.281 106 1HE LYS 14 1HE LYS 14 0.809 4.722 -7.809 107 2HE LYS 14 2HE LYS 14 -0.646 3.809 -8.185 108 1HZ LYS 14 1HZ LYS 14 0.134 6.313 -9.539 109 2HZ LYS 14 2HZ LYS 14 -1.161 5.291 -9.942 110 3HZ LYS 14 3HZ LYS 14 0.438 4.753 -10.136 111 H VAL 15 H VAL 15 -1.181 3.983 -1.910 112 HA VAL 15 HA VAL 15 -3.575 5.240 -0.989 113 HB VAL 15 HB VAL 15 -0.820 4.604 0.004 114 1HG1 VAL 15 1HG1 VAL 15 -0.938 6.961 0.733 115 2HG1 VAL 15 2HG1 VAL 15 -1.018 5.837 2.076 116 3HG1 VAL 15 3HG1 VAL 15 -2.487 6.624 1.512 117 1HG2 VAL 15 1HG2 VAL 15 -3.552 4.472 1.287 118 2HG2 VAL 15 2HG2 VAL 15 -2.077 3.760 1.919 119 3HG2 VAL 15 3HG2 VAL 15 -2.765 3.157 0.414 120 H GLU 16 H GLU 16 -3.508 7.402 0.055 121 HA GLU 16 HA GLU 16 -2.674 9.453 -1.926 122 1HB GLU 16 1HB GLU 16 -5.054 9.414 -1.111 123 2HB GLU 16 2HB GLU 16 -4.474 9.606 0.530 124 1HG GLU 16 1HG GLU 16 -3.338 11.779 -0.258 125 2HG GLU 16 2HG GLU 16 -4.228 11.584 -1.758 126 H GLY 17 H GLY 17 -0.711 10.351 -1.504 127 1HA GLY 17 1HA GLY 17 0.589 10.085 1.040 128 2HA GLY 17 2HA GLY 17 1.252 10.843 -0.388 129 H MET 18 H MET 18 -1.794 11.975 0.654 130 HA MET 18 HA MET 18 -2.423 14.193 0.990 131 1HB MET 18 1HB MET 18 -2.686 12.874 3.001 132 2HB MET 18 2HB MET 18 -1.034 13.173 3.489 133 1HG MET 18 1HG MET 18 -1.519 15.490 3.940 134 2HG MET 18 2HG MET 18 -3.058 15.402 3.122 135 1HE MET 18 1HE MET 18 -1.000 13.583 5.565 136 2HE MET 18 2HE MET 18 -2.071 13.066 6.835 137 3HE MET 18 3HE MET 18 -1.348 14.687 6.896 138 H THR 19 H THR 19 0.237 14.727 3.171 139 HA THR 19 HA THR 19 2.043 16.078 1.453 140 HB THR 19 HB THR 19 0.418 17.791 0.950 141 HG1 THR 19 HG1 THR 19 1.745 18.735 3.255 142 1HG2 THR 19 1HG2 THR 19 -0.293 17.929 3.930 143 2HG2 THR 19 2HG2 THR 19 -1.302 17.205 2.689 144 3HG2 THR 19 3HG2 THR 19 -0.974 18.921 2.649 145 H CYS 20 H CYS 20 3.652 15.418 2.617 146 HA CYS 20 HA CYS 20 4.940 14.809 4.497 147 1HB CYS 20 1HB CYS 20 4.822 17.831 4.508 148 2HB CYS 20 2HB CYS 20 6.079 16.882 5.255 149 H HIS 21 H HIS 21 3.597 13.773 5.978 150 HA HIS 21 HA HIS 21 3.378 15.101 8.558 151 1HB HIS 21 1HB HIS 21 1.288 15.922 7.465 152 2HB HIS 21 2HB HIS 21 0.840 14.266 7.083 153 HD1 HIS 21 HD1 HIS 21 -0.239 12.977 8.982 154 HD2 HIS 21 HD2 HIS 21 1.202 16.561 10.301 155 HE1 HIS 21 HE1 HIS 21 -1.082 13.258 11.283 156 H SER 22 H SER 22 2.596 13.655 10.234 157 HA SER 22 HA SER 22 3.786 11.059 10.100 158 1HB SER 22 1HB SER 22 1.721 12.143 12.076 159 2HB SER 22 2HB SER 22 2.713 10.696 12.327 160 HG SER 22 HG SER 22 3.692 13.305 11.769 161 H CYS 23 H CYS 23 3.018 9.364 9.022 162 HA CYS 23 HA CYS 23 0.282 8.482 9.314 163 1HB CYS 23 1HB CYS 23 -0.273 8.666 6.882 164 2HB CYS 23 2HB CYS 23 -0.238 10.186 7.725 165 H THR 24 H THR 24 2.654 8.189 6.658 166 HA THR 24 HA THR 24 2.235 5.377 6.420 167 HB THR 24 HB THR 24 4.203 5.390 4.931 168 HG1 THR 24 HG1 THR 24 4.425 7.965 6.112 169 1HG2 THR 24 1HG2 THR 24 2.040 6.434 4.012 170 2HG2 THR 24 2HG2 THR 24 3.474 7.187 3.334 171 3HG2 THR 24 3HG2 THR 24 2.578 7.995 4.607 172 H SER 25 H SER 25 4.104 7.120 8.634 173 HA SER 25 HA SER 25 6.280 5.373 9.130 174 1HB SER 25 1HB SER 25 6.219 6.410 11.476 175 2HB SER 25 2HB SER 25 6.082 7.633 10.205 176 HG SER 25 HG SER 25 3.995 6.399 11.664 177 H THR 26 H THR 26 2.963 5.344 10.213 178 HA THR 26 HA THR 26 3.266 2.962 11.842 179 HB THR 26 HB THR 26 0.755 3.233 12.195 180 HG1 THR 26 HG1 THR 26 0.458 3.988 10.025 181 1HG2 THR 26 1HG2 THR 26 2.184 5.956 12.233 182 2HG2 THR 26 2HG2 THR 26 2.337 4.773 13.522 183 3HG2 THR 26 3HG2 THR 26 0.779 5.506 13.182 184 H ILE 27 H ILE 27 2.123 3.819 8.636 185 HA ILE 27 HA ILE 27 0.783 1.373 8.001 186 HB ILE 27 HB ILE 27 2.196 3.391 6.192 187 1HG1 ILE 27 1HG1 ILE 27 -0.733 3.116 7.066 188 2HG1 ILE 27 2HG1 ILE 27 0.361 4.351 7.629 189 1HG2 ILE 27 1HG2 ILE 27 1.830 1.258 5.000 190 2HG2 ILE 27 2HG2 ILE 27 0.780 2.498 4.364 191 3HG2 ILE 27 3HG2 ILE 27 0.130 1.286 5.454 192 1HD1 ILE 27 1HD1 ILE 27 -0.600 4.051 4.748 193 2HD1 ILE 27 2HD1 ILE 27 0.526 5.272 5.302 194 3HD1 ILE 27 3HD1 ILE 27 -1.119 5.263 5.898 195 H GLU 28 H GLU 28 4.136 2.311 8.002 196 HA GLU 28 HA GLU 28 5.274 0.364 6.380 197 1HB GLU 28 1HB GLU 28 6.329 2.424 7.446 198 2HB GLU 28 2HB GLU 28 6.431 1.540 8.943 199 1HG GLU 28 1HG GLU 28 7.764 -0.220 7.815 200 2HG GLU 28 2HG GLU 28 7.696 0.721 6.324 201 H GLY 29 H GLY 29 5.291 0.345 9.873 202 1HA GLY 29 1HA GLY 29 5.868 -2.477 10.122 203 2HA GLY 29 2HA GLY 29 5.469 -1.390 11.437 204 H LYS 30 H LYS 30 2.865 -0.740 9.920 205 HA LYS 30 HA LYS 30 1.271 -2.744 11.293 206 1HB LYS 30 1HB LYS 30 0.461 -0.412 11.108 207 2HB LYS 30 2HB LYS 30 0.495 -0.506 9.359 208 1HG LYS 30 1HG LYS 30 -1.806 -0.772 10.148 209 2HG LYS 30 2HG LYS 30 -1.276 -2.276 9.430 210 1HD LYS 30 1HD LYS 30 -0.764 -3.156 11.751 211 2HD LYS 30 2HD LYS 30 -1.356 -1.646 12.422 212 1HE LYS 30 1HE LYS 30 -3.124 -3.366 12.485 213 2HE LYS 30 2HE LYS 30 -3.590 -2.099 11.359 214 1HZ LYS 30 1HZ LYS 30 -3.202 -3.423 9.560 215 2HZ LYS 30 2HZ LYS 30 -3.763 -4.568 10.683 216 3HZ LYS 30 3HZ LYS 30 -2.099 -4.425 10.373 217 H ILE 31 H ILE 31 1.714 -1.794 7.959 218 HA ILE 31 HA ILE 31 0.274 -3.983 6.804 219 HB ILE 31 HB ILE 31 2.373 -2.112 5.635 220 1HG1 ILE 31 1HG1 ILE 31 0.357 -0.908 6.433 221 2HG1 ILE 31 2HG1 ILE 31 0.462 -0.857 4.689 222 1HG2 ILE 31 1HG2 ILE 31 1.494 -2.710 3.409 223 2HG2 ILE 31 2HG2 ILE 31 0.502 -3.965 4.140 224 3HG2 ILE 31 3HG2 ILE 31 2.256 -4.055 4.234 225 1HD1 ILE 31 1HD1 ILE 31 -1.340 -2.715 6.300 226 2HD1 ILE 31 2HD1 ILE 31 -1.241 -2.680 4.545 227 3HD1 ILE 31 3HD1 ILE 31 -1.848 -1.289 5.419 228 H GLY 32 H GLY 32 3.540 -3.568 7.874 229 1HA GLY 32 1HA GLY 32 4.618 -5.867 6.531 230 2HA GLY 32 2HA GLY 32 5.435 -4.906 7.748 231 H LYS 33 H LYS 33 2.845 -5.364 9.357 232 HA LYS 33 HA LYS 33 3.768 -7.765 10.723 233 1HB LYS 33 1HB LYS 33 3.540 -5.730 11.992 234 2HB LYS 33 2HB LYS 33 1.872 -5.589 11.492 235 1HG LYS 33 1HG LYS 33 2.113 -6.388 13.838 236 2HG LYS 33 2HG LYS 33 1.236 -7.530 12.861 237 1HD LYS 33 1HD LYS 33 2.850 -8.720 14.261 238 2HD LYS 33 2HD LYS 33 3.370 -8.870 12.599 239 1HE LYS 33 1HE LYS 33 5.024 -7.030 12.951 240 2HE LYS 33 2HE LYS 33 4.472 -6.855 14.612 241 1HZ LYS 33 1HZ LYS 33 5.678 -9.285 13.424 242 2HZ LYS 33 2HZ LYS 33 5.139 -9.132 15.028 243 3HZ LYS 33 3HZ LYS 33 6.447 -8.197 14.478 244 H LEU 34 H LEU 34 1.639 -7.205 8.294 245 HA LEU 34 HA LEU 34 -0.684 -8.530 9.177 246 1HB LEU 34 1HB LEU 34 0.421 -8.013 6.416 247 2HB LEU 34 2HB LEU 34 -1.203 -8.574 6.722 248 HG LEU 34 HG LEU 34 0.006 -5.940 7.657 249 1HD1 LEU 34 1HD1 LEU 34 -0.475 -6.025 5.220 250 2HD1 LEU 34 2HD1 LEU 34 -1.603 -4.945 6.017 251 3HD1 LEU 34 3HD1 LEU 34 -2.114 -6.558 5.553 252 1HD2 LEU 34 1HD2 LEU 34 -2.851 -6.953 7.988 253 2HD2 LEU 34 2HD2 LEU 34 -2.279 -5.343 8.399 254 3HD2 LEU 34 3HD2 LEU 34 -1.695 -6.726 9.293 255 H GLN 35 H GLN 35 -0.903 -10.558 9.626 256 HA GLN 35 HA GLN 35 0.986 -12.615 9.070 257 1HB GLN 35 1HB GLN 35 -0.597 -14.129 10.059 258 2HB GLN 35 2HB GLN 35 -0.574 -12.647 10.981 259 1HG GLN 35 1HG GLN 35 -2.679 -13.321 8.885 260 2HG GLN 35 2HG GLN 35 -2.846 -13.558 10.614 261 1HE2 GLN 35 1HE2 GLN 35 -2.745 -11.108 8.073 262 2HE2 GLN 35 2HE2 GLN 35 -3.287 -9.823 9.041 263 H GLY 36 H GLY 36 0.968 -14.293 7.619 264 1HA GLY 36 1HA GLY 36 0.315 -15.598 5.806 265 2HA GLY 36 2HA GLY 36 -1.136 -14.633 5.659 266 H VAL 37 H VAL 37 1.522 -12.674 5.851 267 HA VAL 37 HA VAL 37 1.336 -11.934 3.034 268 HB VAL 37 HB VAL 37 2.692 -10.722 5.499 269 1HG1 VAL 37 1HG1 VAL 37 3.095 -9.806 2.614 270 2HG1 VAL 37 2HG1 VAL 37 4.359 -10.497 3.617 271 3HG1 VAL 37 3HG1 VAL 37 3.640 -8.960 4.057 272 1HG2 VAL 37 1HG2 VAL 37 0.764 -9.733 3.376 273 2HG2 VAL 37 2HG2 VAL 37 1.282 -8.845 4.797 274 3HG2 VAL 37 3HG2 VAL 37 0.307 -10.305 4.973 275 H GLN 38 H GLN 38 2.652 -12.421 1.486 276 HA GLN 38 HA GLN 38 4.934 -14.233 2.030 277 1HB GLN 38 1HB GLN 38 3.683 -13.454 -0.661 278 2HB GLN 38 2HB GLN 38 4.827 -14.749 -0.383 279 1HG GLN 38 1HG GLN 38 1.955 -14.607 0.636 280 2HG GLN 38 2HG GLN 38 2.583 -15.688 -0.593 281 1HE2 GLN 38 1HE2 GLN 38 2.650 -14.939 2.842 282 2HE2 GLN 38 2HE2 GLN 38 3.226 -16.451 3.366 283 H ARG 39 H ARG 39 4.435 -11.807 -0.466 284 HA ARG 39 HA ARG 39 7.210 -10.788 -0.047 285 1HB ARG 39 1HB ARG 39 6.122 -11.584 -2.339 286 2HB ARG 39 2HB ARG 39 5.398 -9.989 -2.311 287 1HG ARG 39 1HG ARG 39 7.397 -9.816 -3.574 288 2HG ARG 39 2HG ARG 39 7.664 -8.966 -2.065 289 1HD ARG 39 1HD ARG 39 8.789 -11.139 -1.201 290 2HD ARG 39 2HD ARG 39 8.672 -11.741 -2.847 291 HE ARG 39 HE ARG 39 10.426 -9.646 -1.847 292 1HH1 ARG 39 1HH1 ARG 39 8.891 -11.047 -4.627 293 2HH1 ARG 39 2HH1 ARG 39 10.053 -10.409 -5.740 294 1HH2 ARG 39 1HH2 ARG 39 11.916 -8.822 -3.254 295 2HH2 ARG 39 2HH2 ARG 39 11.790 -9.130 -4.954 296 H ILE 40 H ILE 40 7.489 -8.427 -0.287 297 HA ILE 40 HA ILE 40 5.235 -6.702 0.391 298 HB ILE 40 HB ILE 40 5.780 -7.612 2.579 299 1HG1 ILE 40 1HG1 ILE 40 7.054 -4.833 2.446 300 2HG1 ILE 40 2HG1 ILE 40 5.331 -5.068 2.317 301 1HG2 ILE 40 1HG2 ILE 40 8.670 -6.743 2.103 302 2HG2 ILE 40 2HG2 ILE 40 8.084 -8.398 2.133 303 3HG2 ILE 40 3HG2 ILE 40 8.048 -7.429 3.589 304 1HD1 ILE 40 1HD1 ILE 40 5.320 -6.167 4.547 305 2HD1 ILE 40 2HD1 ILE 40 5.938 -4.525 4.635 306 3HD1 ILE 40 3HD1 ILE 40 7.048 -5.883 4.701 307 H LYS 41 H LYS 41 5.508 -4.752 -0.432 308 HA LYS 41 HA LYS 41 8.146 -3.528 -0.692 309 1HB LYS 41 1HB LYS 41 7.841 -3.222 -3.232 310 2HB LYS 41 2HB LYS 41 8.361 -4.785 -2.690 311 1HG LYS 41 1HG LYS 41 5.398 -4.343 -2.985 312 2HG LYS 41 2HG LYS 41 6.318 -4.394 -4.468 313 1HD LYS 41 1HD LYS 41 6.253 -6.620 -2.365 314 2HD LYS 41 2HD LYS 41 5.326 -6.605 -3.842 315 1HE LYS 41 1HE LYS 41 7.161 -7.926 -4.451 316 2HE LYS 41 2HE LYS 41 7.620 -6.354 -5.064 317 1HZ LYS 41 1HZ LYS 41 9.317 -6.216 -3.680 318 2HZ LYS 41 2HZ LYS 41 9.113 -7.886 -3.440 319 3HZ LYS 41 3HZ LYS 41 8.427 -6.782 -2.347 320 H VAL 42 H VAL 42 7.141 -2.067 0.632 321 HA VAL 42 HA VAL 42 4.866 -0.461 -0.305 322 HB VAL 42 HB VAL 42 6.752 -0.091 2.088 323 1HG1 VAL 42 1HG1 VAL 42 5.597 2.026 1.432 324 2HG1 VAL 42 2HG1 VAL 42 4.998 1.418 2.963 325 3HG1 VAL 42 3HG1 VAL 42 4.047 1.202 1.501 326 1HG2 VAL 42 1HG2 VAL 42 3.951 -1.288 1.962 327 2HG2 VAL 42 2HG2 VAL 42 4.888 -1.040 3.427 328 3HG2 VAL 42 3HG2 VAL 42 5.434 -2.196 2.225 329 H SER 43 H SER 43 5.175 1.124 -1.763 330 HA SER 43 HA SER 43 7.936 2.086 -2.270 331 1HB SER 43 1HB SER 43 6.302 1.412 -4.161 332 2HB SER 43 2HB SER 43 5.409 2.890 -3.766 333 HG SER 43 HG SER 43 7.430 4.006 -3.947 334 H LEU 44 H LEU 44 8.381 4.379 -2.361 335 HA LEU 44 HA LEU 44 7.311 5.836 -0.124 336 1HB LEU 44 1HB LEU 44 9.691 5.816 -1.331 337 2HB LEU 44 2HB LEU 44 9.015 7.021 -2.390 338 HG LEU 44 HG LEU 44 9.184 7.116 0.620 339 1HD1 LEU 44 1HD1 LEU 44 10.732 8.671 -1.507 340 2HD1 LEU 44 2HD1 LEU 44 11.382 7.416 -0.463 341 3HD1 LEU 44 3HD1 LEU 44 10.875 8.950 0.222 342 1HD2 LEU 44 1HD2 LEU 44 8.226 9.312 -1.288 343 2HD2 LEU 44 2HD2 LEU 44 8.475 9.527 0.435 344 3HD2 LEU 44 3HD2 LEU 44 7.218 8.452 -0.133 345 H ASP 45 H ASP 45 7.589 7.958 -2.806 346 HA ASP 45 HA ASP 45 5.960 9.468 -3.570 347 1HB ASP 45 1HB ASP 45 4.338 8.178 -5.123 348 2HB ASP 45 2HB ASP 45 6.029 7.815 -5.350 349 H ASN 46 H ASN 46 3.152 7.817 -3.719 350 HA ASN 46 HA ASN 46 2.103 9.019 -1.207 351 1HB ASN 46 1HB ASN 46 0.711 8.105 -3.782 352 2HB ASN 46 2HB ASN 46 -0.090 8.865 -2.415 353 1HD2 ASN 46 1HD2 ASN 46 2.554 9.477 -4.764 354 2HD2 ASN 46 2HD2 ASN 46 2.330 11.159 -4.803 355 H GLN 47 H GLN 47 3.532 6.938 -0.659 356 HA GLN 47 HA GLN 47 3.697 4.760 0.055 357 1HB GLN 47 1HB GLN 47 2.344 6.117 1.696 358 2HB GLN 47 2HB GLN 47 0.903 5.495 0.949 359 1HG GLN 47 1HG GLN 47 1.197 4.126 2.878 360 2HG GLN 47 2HG GLN 47 1.780 3.114 1.574 361 1HE2 GLN 47 1HE2 GLN 47 4.311 5.159 1.696 362 2HE2 GLN 47 2HE2 GLN 47 5.224 4.432 2.925 363 H GLU 48 H GLU 48 3.506 4.106 -2.387 364 HA GLU 48 HA GLU 48 0.950 2.756 -2.967 365 1HB GLU 48 1HB GLU 48 2.230 3.868 -4.828 366 2HB GLU 48 2HB GLU 48 3.548 2.732 -4.595 367 1HG GLU 48 1HG GLU 48 1.996 0.826 -5.110 368 2HG GLU 48 2HG GLU 48 0.667 1.955 -5.265 369 H ALA 49 H ALA 49 0.849 1.355 -1.327 370 HA ALA 49 HA ALA 49 2.918 -0.603 -0.749 371 1HB ALA 49 1HB ALA 49 1.285 0.154 0.942 372 2HB ALA 49 2HB ALA 49 1.162 -1.587 0.722 373 3HB ALA 49 3HB ALA 49 -0.023 -0.523 -0.022 374 H THR 50 H THR 50 3.276 -2.478 -1.787 375 HA THR 50 HA THR 50 1.105 -3.630 -3.490 376 HB THR 50 HB THR 50 4.074 -3.304 -4.219 377 HG1 THR 50 HG1 THR 50 2.871 -1.397 -4.183 378 1HG2 THR 50 1HG2 THR 50 2.813 -5.261 -5.427 379 2HG2 THR 50 2HG2 THR 50 3.293 -3.969 -6.509 380 3HG2 THR 50 3HG2 THR 50 1.633 -4.078 -5.952 381 H ILE 51 H ILE 51 1.391 -4.428 -1.004 382 HA ILE 51 HA ILE 51 3.265 -6.560 -0.572 383 HB ILE 51 HB ILE 51 0.727 -5.631 0.803 384 1HG1 ILE 51 1HG1 ILE 51 2.290 -5.391 2.726 385 2HG1 ILE 51 2HG1 ILE 51 3.588 -5.990 1.727 386 1HG2 ILE 51 1HG2 ILE 51 2.278 -8.107 1.613 387 2HG2 ILE 51 2HG2 ILE 51 0.615 -8.095 1.031 388 3HG2 ILE 51 3HG2 ILE 51 1.014 -7.335 2.560 389 1HD1 ILE 51 1HD1 ILE 51 3.351 -4.059 0.206 390 2HD1 ILE 51 2HD1 ILE 51 3.593 -3.529 1.859 391 3HD1 ILE 51 3HD1 ILE 51 1.980 -3.490 1.158 392 H VAL 52 H VAL 52 3.025 -8.736 -0.614 393 HA VAL 52 HA VAL 52 0.830 -9.825 -2.255 394 HB VAL 52 HB VAL 52 3.652 -10.823 -1.805 395 1HG1 VAL 52 1HG1 VAL 52 1.517 -11.878 -3.668 396 2HG1 VAL 52 2HG1 VAL 52 2.128 -12.666 -2.222 397 3HG1 VAL 52 3HG1 VAL 52 3.188 -12.436 -3.598 398 1HG2 VAL 52 1HG2 VAL 52 2.458 -9.467 -4.261 399 2HG2 VAL 52 2HG2 VAL 52 4.060 -10.173 -4.189 400 3HG2 VAL 52 3HG2 VAL 52 3.662 -8.781 -3.196 401 H TYR 53 H TYR 53 -0.145 -11.651 -1.442 402 HA TYR 53 HA TYR 53 0.837 -12.901 1.008 403 1HB TYR 53 1HB TYR 53 -1.189 -12.406 2.349 404 2HB TYR 53 2HB TYR 53 -0.332 -10.935 1.953 405 HD1 TYR 53 HD1 TYR 53 -3.398 -12.832 1.578 406 HD2 TYR 53 HD2 TYR 53 -1.319 -9.356 0.260 407 HE1 TYR 53 HE1 TYR 53 -5.491 -11.904 0.727 408 HE2 TYR 53 HE2 TYR 53 -3.420 -8.427 -0.587 409 HH TYR 53 HH TYR 53 -6.050 -8.876 0.134 410 H GLN 54 H GLN 54 -0.384 -14.720 1.619 411 HA GLN 54 HA GLN 54 -1.519 -16.146 -0.681 412 1HB GLN 54 1HB GLN 54 -1.221 -18.135 0.736 413 2HB GLN 54 2HB GLN 54 0.219 -17.145 0.812 414 1HG GLN 54 1HG GLN 54 -1.069 -16.089 2.956 415 2HG GLN 54 2HG GLN 54 -1.859 -17.653 2.894 416 1HE2 GLN 54 1HE2 GLN 54 0.861 -16.044 4.017 417 2HE2 GLN 54 2HE2 GLN 54 1.803 -17.372 4.463 418 HA PRO 55 HA PRO 55 -5.527 -15.123 -0.169 419 1HB PRO 55 1HB PRO 55 -6.932 -17.568 -0.560 420 2HB PRO 55 2HB PRO 55 -6.417 -16.422 -1.785 421 1HG PRO 55 1HG PRO 55 -5.248 -19.025 -1.081 422 2HG PRO 55 2HG PRO 55 -5.019 -18.069 -2.537 423 1HD PRO 55 1HD PRO 55 -3.129 -18.383 -0.454 424 2HD PRO 55 2HD PRO 55 -3.062 -17.169 -1.743 425 H HIS 56 H HIS 56 -7.405 -15.042 0.976 426 HA HIS 56 HA HIS 56 -8.674 -14.842 2.857 427 1HB HIS 56 1HB HIS 56 -9.495 -16.914 3.830 428 2HB HIS 56 2HB HIS 56 -9.283 -17.139 2.110 429 HD1 HIS 56 HD1 HIS 56 -7.980 -19.170 1.539 430 HD2 HIS 56 HD2 HIS 56 -7.145 -18.029 5.370 431 HE1 HIS 56 HE1 HIS 56 -6.500 -20.907 2.474 432 H LEU 57 H LEU 57 -5.413 -15.307 3.460 433 HA LEU 57 HA LEU 57 -5.570 -15.742 6.317 434 1HB LEU 57 1HB LEU 57 -3.390 -14.849 4.415 435 2HB LEU 57 2HB LEU 57 -3.163 -14.586 6.122 436 HG LEU 57 HG LEU 57 -2.093 -16.698 5.352 437 1HD1 LEU 57 1HD1 LEU 57 -4.440 -17.174 7.249 438 2HD1 LEU 57 2HD1 LEU 57 -2.869 -16.532 7.702 439 3HD1 LEU 57 3HD1 LEU 57 -3.012 -18.178 7.106 440 1HD2 LEU 57 1HD2 LEU 57 -3.483 -18.615 4.689 441 2HD2 LEU 57 2HD2 LEU 57 -3.692 -17.271 3.578 442 3HD2 LEU 57 3HD2 LEU 57 -4.921 -17.610 4.782 443 H ILE 58 H ILE 58 -5.306 -13.008 4.207 444 HA ILE 58 HA ILE 58 -6.510 -11.232 6.135 445 HB ILE 58 HB ILE 58 -4.190 -11.276 6.910 446 1HG1 ILE 58 1HG1 ILE 58 -3.605 -8.876 6.879 447 2HG1 ILE 58 2HG1 ILE 58 -4.698 -8.560 5.584 448 1HG2 ILE 58 1HG2 ILE 58 -3.046 -11.881 4.801 449 2HG2 ILE 58 2HG2 ILE 58 -2.319 -10.428 5.461 450 3HG2 ILE 58 3HG2 ILE 58 -3.433 -10.313 4.111 451 1HD1 ILE 58 1HD1 ILE 58 -5.692 -7.948 7.766 452 2HD1 ILE 58 2HD1 ILE 58 -5.421 -9.570 8.378 453 3HD1 ILE 58 3HD1 ILE 58 -6.601 -9.295 7.107 454 H SER 59 H SER 59 -6.441 -8.943 5.218 455 HA SER 59 HA SER 59 -6.520 -8.818 2.250 456 1HB SER 59 1HB SER 59 -8.745 -7.898 4.135 457 2HB SER 59 2HB SER 59 -8.681 -7.649 2.379 458 HG SER 59 HG SER 59 -8.561 -10.159 3.702 459 H VAL 60 H VAL 60 -4.995 -7.421 1.981 460 HA VAL 60 HA VAL 60 -4.178 -5.467 3.883 461 HB VAL 60 HB VAL 60 -3.640 -5.697 0.890 462 1HG1 VAL 60 1HG1 VAL 60 -2.061 -4.236 3.084 463 2HG1 VAL 60 2HG1 VAL 60 -2.996 -3.425 1.844 464 3HG1 VAL 60 3HG1 VAL 60 -1.570 -4.345 1.402 465 1HG2 VAL 60 1HG2 VAL 60 -1.554 -6.858 1.584 466 2HG2 VAL 60 2HG2 VAL 60 -2.971 -7.724 2.144 467 3HG2 VAL 60 3HG2 VAL 60 -2.045 -6.744 3.265 468 H GLU 61 H GLU 61 -6.642 -5.600 1.548 469 HA GLU 61 HA GLU 61 -6.993 -2.825 1.015 470 1HB GLU 61 1HB GLU 61 -7.927 -4.651 -0.408 471 2HB GLU 61 2HB GLU 61 -8.956 -5.169 0.918 472 1HG GLU 61 1HG GLU 61 -10.187 -3.087 0.871 473 2HG GLU 61 2HG GLU 61 -9.060 -2.379 -0.277 474 H GLU 62 H GLU 62 -8.161 -5.052 3.457 475 HA GLU 62 HA GLU 62 -10.021 -3.258 4.715 476 1HB GLU 62 1HB GLU 62 -10.002 -5.742 4.955 477 2HB GLU 62 2HB GLU 62 -8.488 -5.657 5.800 478 1HG GLU 62 1HG GLU 62 -10.474 -5.854 7.372 479 2HG GLU 62 2HG GLU 62 -9.425 -4.492 7.701 480 H MET 63 H MET 63 -6.664 -4.099 5.086 481 HA MET 63 HA MET 63 -6.082 -2.529 7.380 482 1HB MET 63 1HB MET 63 -4.289 -3.392 5.154 483 2HB MET 63 2HB MET 63 -3.727 -2.821 6.709 484 1HG MET 63 1HG MET 63 -5.451 -5.281 6.235 485 2HG MET 63 2HG MET 63 -3.761 -5.292 6.597 486 1HE MET 63 1HE MET 63 -7.207 -5.147 7.541 487 2HE MET 63 2HE MET 63 -7.181 -3.803 8.690 488 3HE MET 63 3HE MET 63 -7.263 -5.480 9.249 489 H LYS 64 H LYS 64 -6.337 -1.901 3.998 490 HA LYS 64 HA LYS 64 -5.171 0.778 4.101 491 1HB LYS 64 1HB LYS 64 -6.632 -0.808 1.942 492 2HB LYS 64 2HB LYS 64 -6.170 0.859 1.695 493 1HG LYS 64 1HG LYS 64 -4.143 -1.248 2.537 494 2HG LYS 64 2HG LYS 64 -4.523 -0.939 0.852 495 1HD LYS 64 1HD LYS 64 -3.818 1.391 1.094 496 2HD LYS 64 2HD LYS 64 -3.555 1.200 2.813 497 1HE LYS 64 1HE LYS 64 -1.817 -0.554 2.313 498 2HE LYS 64 2HE LYS 64 -2.060 -0.246 0.598 499 1HZ LYS 64 1HZ LYS 64 -0.200 0.963 1.900 500 2HZ LYS 64 2HZ LYS 64 -1.455 1.995 2.385 501 3HZ LYS 64 3HZ LYS 64 -1.105 1.804 0.733 502 H LYS 65 H LYS 65 -8.285 -0.677 4.597 503 HA LYS 65 HA LYS 65 -9.881 1.576 3.974 504 1HB LYS 65 1HB LYS 65 -10.711 -0.773 4.317 505 2HB LYS 65 2HB LYS 65 -10.324 -0.627 6.019 506 1HG LYS 65 1HG LYS 65 -11.949 1.239 6.235 507 2HG LYS 65 2HG LYS 65 -12.308 1.114 4.518 508 1HD LYS 65 1HD LYS 65 -13.098 -1.252 4.901 509 2HD LYS 65 2HD LYS 65 -12.786 -1.048 6.617 510 1HE LYS 65 1HE LYS 65 -15.172 -0.656 6.142 511 2HE LYS 65 2HE LYS 65 -14.416 0.825 6.710 512 1HZ LYS 65 1HZ LYS 65 -14.392 1.719 4.589 513 2HZ LYS 65 2HZ LYS 65 -15.905 0.954 4.686 514 3HZ LYS 65 3HZ LYS 65 -14.634 0.217 3.834 515 H GLN 66 H GLN 66 -8.037 0.648 6.780 516 HA GLN 66 HA GLN 66 -9.066 2.621 8.548 517 1HB GLN 66 1HB GLN 66 -6.286 1.373 8.650 518 2HB GLN 66 2HB GLN 66 -7.301 1.836 10.003 519 1HG GLN 66 1HG GLN 66 -7.755 -0.520 8.118 520 2HG GLN 66 2HG GLN 66 -7.323 -0.601 9.797 521 1HE2 GLN 66 1HE2 GLN 66 -8.997 0.404 11.360 522 2HE2 GLN 66 2HE2 GLN 66 -10.636 0.223 10.954 523 H ILE 67 H ILE 67 -6.424 2.394 6.315 524 HA ILE 67 HA ILE 67 -5.156 4.912 6.862 525 HB ILE 67 HB ILE 67 -5.209 2.975 4.559 526 1HG1 ILE 67 1HG1 ILE 67 -3.214 3.541 6.806 527 2HG1 ILE 67 2HG1 ILE 67 -4.349 2.233 6.845 528 1HG2 ILE 67 1HG2 ILE 67 -3.290 5.319 4.991 529 2HG2 ILE 67 2HG2 ILE 67 -4.446 5.138 3.675 530 3HG2 ILE 67 3HG2 ILE 67 -3.068 4.070 3.777 531 1HD1 ILE 67 1HD1 ILE 67 -2.087 2.451 4.814 532 2HD1 ILE 67 2HD1 ILE 67 -3.270 1.158 4.891 533 3HD1 ILE 67 3HD1 ILE 67 -2.138 1.383 6.203 534 H GLU 68 H GLU 68 -7.787 3.818 5.037 535 HA GLU 68 HA GLU 68 -8.203 6.324 3.523 536 1HB GLU 68 1HB GLU 68 -9.695 3.714 3.710 537 2HB GLU 68 2HB GLU 68 -10.262 5.073 2.760 538 1HG GLU 68 1HG GLU 68 -8.279 5.017 1.367 539 2HG GLU 68 2HG GLU 68 -7.476 3.845 2.368 540 H ALA 69 H ALA 69 -9.151 4.877 6.463 541 HA ALA 69 HA ALA 69 -11.569 6.464 6.828 542 1HB ALA 69 1HB ALA 69 -9.918 4.866 8.824 543 2HB ALA 69 2HB ALA 69 -11.295 4.253 7.920 544 3HB ALA 69 3HB ALA 69 -11.521 5.518 9.120 545 H MET 70 H MET 70 -8.182 6.595 7.800 546 HA MET 70 HA MET 70 -8.471 8.840 9.516 547 1HB MET 70 1HB MET 70 -6.021 8.701 9.592 548 2HB MET 70 2HB MET 70 -6.750 7.132 9.817 549 1HG MET 70 1HG MET 70 -5.032 6.666 8.391 550 2HG MET 70 2HG MET 70 -6.392 6.809 7.331 551 1HE MET 70 1HE MET 70 -3.215 8.184 8.692 552 2HE MET 70 2HE MET 70 -2.514 9.058 7.355 553 3HE MET 70 3HE MET 70 -2.737 7.314 7.221 554 H GLY 71 H GLY 71 -8.431 8.509 6.156 555 1HA GLY 71 1HA GLY 71 -9.042 10.736 5.109 556 2HA GLY 71 2HA GLY 71 -7.555 11.340 5.799 557 H PHE 72 H PHE 72 -6.647 8.383 4.689 558 HA PHE 72 HA PHE 72 -5.773 9.598 2.111 559 1HB PHE 72 1HB PHE 72 -4.603 7.142 3.483 560 2HB PHE 72 2HB PHE 72 -4.099 7.868 1.997 561 HD1 PHE 72 HD1 PHE 72 -4.862 10.672 4.013 562 HD2 PHE 72 HD2 PHE 72 -2.004 7.537 3.566 563 HE1 PHE 72 HE1 PHE 72 -3.210 12.010 5.161 564 HE2 PHE 72 HE2 PHE 72 -0.343 8.896 4.707 565 HZ PHE 72 HZ PHE 72 -0.934 11.152 5.521 566 HA PRO 73 HA PRO 73 -8.771 6.601 0.196 567 1HB PRO 73 1HB PRO 73 -8.007 8.028 -2.213 568 2HB PRO 73 2HB PRO 73 -9.596 7.791 -1.501 569 1HG PRO 73 1HG PRO 73 -7.970 10.179 -1.418 570 2HG PRO 73 2HG PRO 73 -9.561 9.950 -0.710 571 1HD PRO 73 1HD PRO 73 -7.092 10.203 0.699 572 2HD PRO 73 2HD PRO 73 -8.657 9.770 1.404 573 H ALA 74 H ALA 74 -8.068 4.799 -0.621 574 HA ALA 74 HA ALA 74 -5.274 4.598 -1.680 575 1HB ALA 74 1HB ALA 74 -5.479 3.603 0.599 576 2HB ALA 74 2HB ALA 74 -5.128 2.375 -0.606 577 3HB ALA 74 3HB ALA 74 -6.759 2.550 0.022 578 H PHE 75 H PHE 75 -5.375 4.310 -3.660 579 HA PHE 75 HA PHE 75 -7.629 3.106 -5.050 580 1HB PHE 75 1HB PHE 75 -4.912 4.003 -6.126 581 2HB PHE 75 2HB PHE 75 -6.341 3.676 -7.096 582 HD1 PHE 75 HD1 PHE 75 -4.530 6.246 -5.527 583 HD2 PHE 75 HD2 PHE 75 -8.544 4.990 -6.228 584 HE1 PHE 75 HE1 PHE 75 -5.316 8.534 -5.144 585 HE2 PHE 75 HE2 PHE 75 -9.323 7.283 -5.846 586 HZ PHE 75 HZ PHE 75 -7.713 9.060 -5.302 587 H VAL 76 H VAL 76 -7.630 1.072 -4.115 588 HA VAL 76 HA VAL 76 -5.408 -0.778 -4.347 589 HB VAL 76 HB VAL 76 -8.370 -1.230 -3.704 590 1HG1 VAL 76 1HG1 VAL 76 -5.965 -3.067 -3.337 591 2HG1 VAL 76 2HG1 VAL 76 -7.271 -3.324 -4.464 592 3HG1 VAL 76 3HG1 VAL 76 -7.582 -3.406 -2.746 593 1HG2 VAL 76 1HG2 VAL 76 -5.927 -0.966 -1.888 594 2HG2 VAL 76 2HG2 VAL 76 -7.559 -1.310 -1.346 595 3HG2 VAL 76 3HG2 VAL 76 -7.187 0.240 -2.069 596 H LYS 77 H LYS 77 -4.838 -0.819 -6.422 597 HA LYS 77 HA LYS 77 -6.614 -1.279 -8.651 598 1HB LYS 77 1HB LYS 77 -3.620 -1.279 -8.313 599 2HB LYS 77 2HB LYS 77 -4.379 -1.565 -9.856 600 1HG LYS 77 1HG LYS 77 -5.382 0.579 -9.962 601 2HG LYS 77 2HG LYS 77 -5.212 0.873 -8.247 602 1HD LYS 77 1HD LYS 77 -2.729 0.513 -9.937 603 2HD LYS 77 2HD LYS 77 -3.580 2.042 -9.972 604 1HE LYS 77 1HE LYS 77 -1.754 1.990 -8.245 605 2HE LYS 77 2HE LYS 77 -3.331 2.326 -7.553 606 1HZ LYS 77 1HZ LYS 77 -3.493 0.101 -6.784 607 2HZ LYS 77 2HZ LYS 77 -1.985 0.713 -6.298 608 3HZ LYS 77 3HZ LYS 77 -2.084 -0.357 -7.614 609 H LYS 78 H LYS 78 -5.131 -3.374 -6.426 610 HA LYS 78 HA LYS 78 -4.910 -5.687 -6.300 611 1HB LYS 78 1HB LYS 78 -7.282 -5.561 -8.253 612 2HB LYS 78 2HB LYS 78 -6.847 -6.962 -7.299 613 1HG LYS 78 1HG LYS 78 -7.173 -5.572 -5.215 614 2HG LYS 78 2HG LYS 78 -7.698 -4.249 -6.250 615 1HD LYS 78 1HD LYS 78 -9.566 -5.621 -7.111 616 2HD LYS 78 2HD LYS 78 -9.055 -6.965 -6.105 617 1HE LYS 78 1HE LYS 78 -10.890 -5.712 -5.007 618 2HE LYS 78 2HE LYS 78 -9.415 -5.560 -4.064 619 1HZ LYS 78 1HZ LYS 78 -9.911 -3.542 -6.110 620 2HZ LYS 78 2HZ LYS 78 -9.192 -3.391 -4.579 621 3HZ LYS 78 3HZ LYS 78 -10.879 -3.501 -4.713 622 H GLN 79 H GLN 79 -6.036 -6.846 -9.196 623 HA GLN 79 HA GLN 79 -3.276 -7.129 -10.267 624 1HB GLN 79 1HB GLN 79 -5.788 -8.710 -11.080 625 2HB GLN 79 2HB GLN 79 -4.145 -9.022 -11.549 626 1HG GLN 79 1HG GLN 79 -5.119 -9.104 -8.659 627 2HG GLN 79 2HG GLN 79 -4.918 -10.511 -9.689 628 1HE2 GLN 79 1HE2 GLN 79 -2.603 -10.487 -10.827 629 2HE2 GLN 79 2HE2 GLN 79 -1.303 -10.179 -9.784 630 HA PRO 80 HA PRO 80 -5.525 -5.203 -13.950 631 1HB PRO 80 1HB PRO 80 -8.250 -4.578 -13.705 632 2HB PRO 80 2HB PRO 80 -7.596 -6.042 -14.427 633 1HG PRO 80 1HG PRO 80 -9.093 -5.838 -11.974 634 2HG PRO 80 2HG PRO 80 -8.388 -7.282 -12.678 635 1HD PRO 80 1HD PRO 80 -7.310 -5.554 -10.495 636 2HD PRO 80 2HD PRO 80 -7.029 -7.268 -10.806 637 H LYS 81 H LYS 81 -4.607 -3.255 -13.945 638 HA LYS 81 HA LYS 81 -4.894 -1.304 -11.856 639 1HB LYS 81 1HB LYS 81 -3.764 -1.094 -14.687 640 2HB LYS 81 2HB LYS 81 -3.736 0.234 -13.555 641 1HG LYS 81 1HG LYS 81 -1.578 -0.903 -13.488 642 2HG LYS 81 2HG LYS 81 -2.393 -1.076 -11.953 643 1HD LYS 81 1HD LYS 81 -1.314 -3.179 -12.611 644 2HD LYS 81 2HD LYS 81 -3.038 -3.410 -12.528 645 1HE LYS 81 1HE LYS 81 -3.122 -3.107 -15.069 646 2HE LYS 81 2HE LYS 81 -1.370 -2.971 -15.054 647 1HZ LYS 81 1HZ LYS 81 -3.055 -5.295 -14.454 648 2HZ LYS 81 2HZ LYS 81 -1.484 -5.198 -13.818 649 3HZ LYS 81 3HZ LYS 81 -1.724 -5.170 -15.501 650 H TYR 82 H TYR 82 -6.903 -0.673 -11.500 651 HA TYR 82 HA TYR 82 -8.902 -0.102 -13.468 652 1HB TYR 82 1HB TYR 82 -8.719 0.961 -10.605 653 2HB TYR 82 2HB TYR 82 -10.186 0.808 -11.564 654 HD1 TYR 82 HD1 TYR 82 -8.613 -0.677 -8.939 655 HD2 TYR 82 HD2 TYR 82 -10.204 -1.789 -12.729 656 HE1 TYR 82 HE1 TYR 82 -8.864 -2.988 -8.161 657 HE2 TYR 82 HE2 TYR 82 -10.458 -4.087 -11.947 658 HH TYR 82 HH TYR 82 -8.947 -5.317 -9.321 659 H LEU 83 H LEU 83 -9.229 1.590 -14.660 660 HA LEU 83 HA LEU 83 -8.981 3.638 -15.714 661 1HB LEU 83 1HB LEU 83 -9.854 4.277 -13.292 662 2HB LEU 83 2HB LEU 83 -8.218 4.773 -12.960 663 HG LEU 83 HG LEU 83 -9.536 6.718 -13.578 664 1HD1 LEU 83 1HD1 LEU 83 -7.688 6.042 -15.901 665 2HD1 LEU 83 2HD1 LEU 83 -7.204 6.783 -14.381 666 3HD1 LEU 83 3HD1 LEU 83 -8.270 7.638 -15.478 667 1HD2 LEU 83 1HD2 LEU 83 -10.196 5.291 -16.187 668 2HD2 LEU 83 2HD2 LEU 83 -10.633 6.939 -15.786 669 3HD2 LEU 83 3HD2 LEU 83 -11.310 5.607 -14.868 670 H LYS 84 H LYS 84 -7.154 2.484 -16.602 671 HA LYS 84 HA LYS 84 -4.690 4.051 -16.429 672 1HB LYS 84 1HB LYS 84 -4.504 2.300 -14.586 673 2HB LYS 84 2HB LYS 84 -4.651 1.052 -15.797 674 1HG LYS 84 1HG LYS 84 -2.438 3.132 -15.854 675 2HG LYS 84 2HG LYS 84 -2.278 1.614 -15.002 676 1HD LYS 84 1HD LYS 84 -2.734 0.401 -17.190 677 2HD LYS 84 2HD LYS 84 -2.682 1.950 -18.012 678 1HE LYS 84 1HE LYS 84 -0.393 0.821 -16.379 679 2HE LYS 84 2HE LYS 84 -0.491 0.843 -18.135 680 1HZ LYS 84 1HZ LYS 84 0.749 2.699 -17.589 681 2HZ LYS 84 2HZ LYS 84 -0.255 3.124 -16.286 682 3HZ LYS 84 3HZ LYS 84 -0.801 3.329 -17.881 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -1.221 -29.187 -7.121 2 2H GLY 1 2H GLY 1 -0.692 -30.767 -7.448 3 3H GLY 1 3H GLY 1 -1.318 -29.802 -8.700 4 1HA GLY 1 1HA GLY 1 1.089 -29.924 -8.831 5 2HA GLY 1 2HA GLY 1 0.533 -28.278 -8.502 6 H SER 2 H SER 2 0.156 -27.937 -6.051 7 HA SER 2 HA SER 2 2.211 -29.231 -4.347 8 1HB SER 2 1HB SER 2 2.099 -26.205 -4.881 9 2HB SER 2 2HB SER 2 3.138 -26.978 -3.673 10 HG SER 2 HG SER 2 3.786 -28.365 -5.534 11 H MET 3 H MET 3 0.211 -26.319 -4.154 12 HA MET 3 HA MET 3 -1.761 -27.475 -2.385 13 1HB MET 3 1HB MET 3 0.172 -27.250 -0.779 14 2HB MET 3 2HB MET 3 0.299 -25.548 -1.169 15 1HG MET 3 1HG MET 3 -1.990 -25.181 -0.316 16 2HG MET 3 2HG MET 3 -2.156 -26.879 0.026 17 1HE MET 3 1HE MET 3 -0.440 -27.492 3.256 18 2HE MET 3 2HE MET 3 -0.234 -28.080 1.619 19 3HE MET 3 3HE MET 3 -1.865 -27.850 2.293 20 H ALA 4 H ALA 4 -0.172 -24.326 -2.714 21 HA ALA 4 HA ALA 4 -2.766 -23.003 -3.219 22 1HB ALA 4 1HB ALA 4 0.043 -21.860 -2.919 23 2HB ALA 4 2HB ALA 4 -1.162 -21.963 -1.642 24 3HB ALA 4 3HB ALA 4 -1.434 -20.912 -3.023 25 H GLN 5 H GLN 5 0.400 -23.296 -4.724 26 HA GLN 5 HA GLN 5 1.179 -23.015 -6.895 27 1HB GLN 5 1HB GLN 5 -0.406 -25.069 -7.017 28 2HB GLN 5 2HB GLN 5 -1.610 -24.009 -7.706 29 1HG GLN 5 1HG GLN 5 1.161 -24.525 -8.889 30 2HG GLN 5 2HG GLN 5 -0.333 -25.240 -9.466 31 1HE2 GLN 5 1HE2 GLN 5 -2.031 -23.631 -10.264 32 2HE2 GLN 5 2HE2 GLN 5 -1.478 -22.219 -11.028 33 H ALA 6 H ALA 6 1.308 -20.796 -6.731 34 HA ALA 6 HA ALA 6 0.957 -18.575 -7.312 35 1HB ALA 6 1HB ALA 6 -0.104 -18.206 -9.550 36 2HB ALA 6 2HB ALA 6 -0.687 -19.861 -9.558 37 3HB ALA 6 3HB ALA 6 1.038 -19.537 -9.604 38 H GLY 7 H GLY 7 -1.033 -20.057 -5.597 39 1HA GLY 7 1HA GLY 7 -3.657 -18.961 -5.977 40 2HA GLY 7 2HA GLY 7 -3.035 -19.646 -4.476 41 H GLU 8 H GLU 8 -0.770 -17.636 -4.828 42 HA GLU 8 HA GLU 8 -1.608 -15.668 -2.964 43 1HB GLU 8 1HB GLU 8 0.559 -14.538 -3.640 44 2HB GLU 8 2HB GLU 8 0.708 -16.211 -3.139 45 1HG GLU 8 1HG GLU 8 2.095 -15.746 -5.141 46 2HG GLU 8 2HG GLU 8 0.865 -16.934 -5.507 47 H VAL 9 H VAL 9 -1.196 -13.311 -3.427 48 HA VAL 9 HA VAL 9 -2.366 -12.350 -5.981 49 HB VAL 9 HB VAL 9 -3.939 -10.844 -4.680 50 1HG1 VAL 9 1HG1 VAL 9 -4.325 -13.825 -4.260 51 2HG1 VAL 9 2HG1 VAL 9 -4.760 -12.929 -5.705 52 3HG1 VAL 9 3HG1 VAL 9 -5.597 -12.617 -4.194 53 1HG2 VAL 9 1HG2 VAL 9 -3.212 -12.650 -2.312 54 2HG2 VAL 9 2HG2 VAL 9 -4.457 -11.426 -2.314 55 3HG2 VAL 9 3HG2 VAL 9 -2.775 -10.955 -2.425 56 H VAL 10 H VAL 10 -1.500 -10.553 -6.699 57 HA VAL 10 HA VAL 10 0.433 -9.046 -4.984 58 HB VAL 10 HB VAL 10 1.502 -8.419 -7.228 59 1HG1 VAL 10 1HG1 VAL 10 1.325 -11.388 -6.579 60 2HG1 VAL 10 2HG1 VAL 10 2.440 -10.248 -5.850 61 3HG1 VAL 10 3HG1 VAL 10 2.579 -10.638 -7.550 62 1HG2 VAL 10 1HG2 VAL 10 -0.470 -8.909 -8.727 63 2HG2 VAL 10 2HG2 VAL 10 -0.342 -10.607 -8.312 64 3HG2 VAL 10 3HG2 VAL 10 0.947 -9.818 -9.200 65 H LEU 11 H LEU 11 -1.398 -7.805 -4.189 66 HA LEU 11 HA LEU 11 -2.814 -6.035 -6.035 67 1HB LEU 11 1HB LEU 11 -2.737 -6.170 -3.006 68 2HB LEU 11 2HB LEU 11 -3.620 -4.931 -3.867 69 HG LEU 11 HG LEU 11 -4.905 -6.727 -5.053 70 1HD1 LEU 11 1HD1 LEU 11 -3.607 -8.555 -2.998 71 2HD1 LEU 11 2HD1 LEU 11 -3.399 -8.654 -4.737 72 3HD1 LEU 11 3HD1 LEU 11 -4.963 -8.985 -4.026 73 1HD2 LEU 11 1HD2 LEU 11 -5.862 -5.502 -3.164 74 2HD2 LEU 11 2HD2 LEU 11 -5.108 -6.600 -2.025 75 3HD2 LEU 11 3HD2 LEU 11 -6.383 -7.175 -3.091 76 H LYS 12 H LYS 12 -2.499 -3.994 -6.448 77 HA LYS 12 HA LYS 12 -0.093 -2.563 -5.359 78 1HB LYS 12 1HB LYS 12 -1.515 -2.314 -8.025 79 2HB LYS 12 2HB LYS 12 -0.220 -1.256 -7.479 80 1HG LYS 12 1HG LYS 12 1.207 -3.352 -7.179 81 2HG LYS 12 2HG LYS 12 -0.063 -4.256 -7.997 82 1HD LYS 12 1HD LYS 12 0.124 -2.648 -9.897 83 2HD LYS 12 2HD LYS 12 1.446 -1.860 -9.044 84 1HE LYS 12 1HE LYS 12 1.457 -4.778 -9.951 85 2HE LYS 12 2HE LYS 12 2.343 -3.474 -10.727 86 1HZ LYS 12 1HZ LYS 12 3.199 -3.182 -8.254 87 2HZ LYS 12 2HZ LYS 12 3.951 -4.213 -9.375 88 3HZ LYS 12 3HZ LYS 12 2.872 -4.847 -8.226 89 H MET 13 H MET 13 -0.660 -1.101 -3.975 90 HA MET 13 HA MET 13 -3.275 0.319 -4.265 91 1HB MET 13 1HB MET 13 -1.690 -0.190 -1.742 92 2HB MET 13 2HB MET 13 -3.276 0.556 -1.857 93 1HG MET 13 1HG MET 13 -3.622 -1.702 -1.142 94 2HG MET 13 2HG MET 13 -4.161 -1.584 -2.790 95 1HE MET 13 1HE MET 13 -1.001 -4.294 -1.050 96 2HE MET 13 2HE MET 13 -2.387 -3.574 -0.258 97 3HE MET 13 3HE MET 13 -0.961 -2.584 -0.650 98 H LYS 14 H LYS 14 -3.185 2.441 -4.290 99 HA LYS 14 HA LYS 14 -0.523 3.767 -3.955 100 1HB LYS 14 1HB LYS 14 -1.297 3.581 -6.266 101 2HB LYS 14 2HB LYS 14 -2.735 4.460 -5.821 102 1HG LYS 14 1HG LYS 14 -1.298 6.427 -5.105 103 2HG LYS 14 2HG LYS 14 0.110 5.559 -5.680 104 1HD LYS 14 1HD LYS 14 -2.284 6.272 -7.429 105 2HD LYS 14 2HD LYS 14 -0.837 7.250 -7.321 106 1HE LYS 14 1HE LYS 14 0.526 5.407 -8.206 107 2HE LYS 14 2HE LYS 14 -0.872 4.337 -8.244 108 1HZ LYS 14 1HZ LYS 14 -0.594 5.180 -10.389 109 2HZ LYS 14 2HZ LYS 14 -0.411 6.777 -9.840 110 3HZ LYS 14 3HZ LYS 14 -1.924 6.009 -9.736 111 H VAL 15 H VAL 15 -0.851 4.340 -1.817 112 HA VAL 15 HA VAL 15 -3.179 5.632 -0.820 113 HB VAL 15 HB VAL 15 -0.371 5.045 0.103 114 1HG1 VAL 15 1HG1 VAL 15 -0.589 6.344 2.175 115 2HG1 VAL 15 2HG1 VAL 15 -2.064 7.081 1.562 116 3HG1 VAL 15 3HG1 VAL 15 -0.521 7.406 0.780 117 1HG2 VAL 15 1HG2 VAL 15 -2.288 3.539 0.652 118 2HG2 VAL 15 2HG2 VAL 15 -3.057 4.870 1.514 119 3HG2 VAL 15 3HG2 VAL 15 -1.541 4.208 2.095 120 H GLU 16 H GLU 16 -3.109 7.813 0.138 121 HA GLU 16 HA GLU 16 -2.177 9.803 -1.869 122 1HB GLU 16 1HB GLU 16 -4.616 9.777 -1.187 123 2HB GLU 16 2HB GLU 16 -4.129 10.053 0.476 124 1HG GLU 16 1HG GLU 16 -2.993 12.192 -0.272 125 2HG GLU 16 2HG GLU 16 -3.622 11.905 -1.888 126 H GLY 17 H GLY 17 -0.308 10.845 -1.314 127 1HA GLY 17 1HA GLY 17 0.958 10.439 1.213 128 2HA GLY 17 2HA GLY 17 1.554 11.463 -0.074 129 H MET 18 H MET 18 -1.618 12.033 1.010 130 HA MET 18 HA MET 18 -2.714 13.604 2.222 131 1HB MET 18 1HB MET 18 -0.936 12.904 3.999 132 2HB MET 18 2HB MET 18 -0.039 14.339 3.555 133 1HG MET 18 1HG MET 18 -1.462 14.766 5.464 134 2HG MET 18 2HG MET 18 -1.930 15.753 4.108 135 1HE MET 18 1HE MET 18 -2.483 12.852 6.293 136 2HE MET 18 2HE MET 18 -3.028 11.907 4.894 137 3HE MET 18 3HE MET 18 -4.162 12.397 6.155 138 H THR 19 H THR 19 0.389 15.288 2.060 139 HA THR 19 HA THR 19 0.109 16.721 -0.328 140 HB THR 19 HB THR 19 -1.957 17.815 0.521 141 HG1 THR 19 HG1 THR 19 -1.203 19.899 0.496 142 1HG2 THR 19 1HG2 THR 19 -0.291 18.623 2.966 143 2HG2 THR 19 2HG2 THR 19 -1.523 17.377 2.991 144 3HG2 THR 19 3HG2 THR 19 -1.973 19.037 2.661 145 H CYS 20 H CYS 20 1.113 16.728 3.014 146 HA CYS 20 HA CYS 20 3.821 17.416 2.284 147 1HB CYS 20 1HB CYS 20 3.971 19.455 3.662 148 2HB CYS 20 2HB CYS 20 2.823 19.663 2.373 149 H HIS 21 H HIS 21 1.603 16.004 4.349 150 HA HIS 21 HA HIS 21 3.785 15.192 6.194 151 1HB HIS 21 1HB HIS 21 2.197 15.533 8.150 152 2HB HIS 21 2HB HIS 21 2.712 17.026 7.384 153 HD1 HIS 21 HD1 HIS 21 0.821 17.650 5.341 154 HD2 HIS 21 HD2 HIS 21 -0.501 15.570 8.596 155 HE1 HIS 21 HE1 HIS 21 -1.625 17.970 5.423 156 H SER 22 H SER 22 3.887 13.176 5.612 157 HA SER 22 HA SER 22 1.418 11.512 5.518 158 1HB SER 22 1HB SER 22 2.885 9.911 4.178 159 2HB SER 22 2HB SER 22 2.711 11.493 3.412 160 HG SER 22 HG SER 22 4.864 10.421 4.855 161 H CYS 23 H CYS 23 1.091 10.815 7.512 162 HA CYS 23 HA CYS 23 3.237 9.895 9.292 163 1HB CYS 23 1HB CYS 23 1.225 11.154 10.089 164 2HB CYS 23 2HB CYS 23 0.216 9.830 9.577 165 H THR 24 H THR 24 2.787 8.527 6.757 166 HA THR 24 HA THR 24 1.504 5.997 7.223 167 HB THR 24 HB THR 24 2.507 5.393 5.004 168 HG1 THR 24 HG1 THR 24 4.472 6.289 5.094 169 1HG2 THR 24 1HG2 THR 24 0.518 7.028 4.972 170 2HG2 THR 24 2HG2 THR 24 1.626 7.302 3.642 171 3HG2 THR 24 3HG2 THR 24 1.665 8.352 5.044 172 H SER 25 H SER 25 4.291 7.123 8.516 173 HA SER 25 HA SER 25 6.139 4.968 8.219 174 1HB SER 25 1HB SER 25 6.782 7.192 9.198 175 2HB SER 25 2HB SER 25 5.772 6.859 10.614 176 HG SER 25 HG SER 25 7.814 5.135 9.671 177 H THR 26 H THR 26 3.529 5.589 10.443 178 HA THR 26 HA THR 26 3.879 3.362 12.187 179 HB THR 26 HB THR 26 1.449 3.880 12.843 180 HG1 THR 26 HG1 THR 26 0.863 4.351 10.672 181 1HG2 THR 26 1HG2 THR 26 1.806 6.255 13.474 182 2HG2 THR 26 2HG2 THR 26 3.082 6.427 12.280 183 3HG2 THR 26 3HG2 THR 26 3.334 5.419 13.697 184 H ILE 27 H ILE 27 2.210 3.788 9.171 185 HA ILE 27 HA ILE 27 0.666 1.395 9.133 186 HB ILE 27 HB ILE 27 1.851 2.949 6.779 187 1HG1 ILE 27 1HG1 ILE 27 -0.880 3.183 8.129 188 2HG1 ILE 27 2HG1 ILE 27 0.420 4.339 8.320 189 1HG2 ILE 27 1HG2 ILE 27 -0.465 0.977 6.873 190 2HG2 ILE 27 2HG2 ILE 27 1.104 0.693 6.140 191 3HG2 ILE 27 3HG2 ILE 27 0.041 1.888 5.454 192 1HD1 ILE 27 1HD1 ILE 27 -0.984 3.675 5.694 193 2HD1 ILE 27 2HD1 ILE 27 0.364 4.780 5.849 194 3HD1 ILE 27 3HD1 ILE 27 -1.164 5.145 6.624 195 H GLU 28 H GLU 28 3.991 2.053 8.146 196 HA GLU 28 HA GLU 28 4.666 -0.204 6.732 197 1HB GLU 28 1HB GLU 28 6.004 1.904 7.420 198 2HB GLU 28 2HB GLU 28 6.441 1.032 8.857 199 1HG GLU 28 1HG GLU 28 6.967 0.086 6.022 200 2HG GLU 28 2HG GLU 28 8.154 0.813 7.092 201 H GLY 29 H GLY 29 5.174 0.175 10.175 202 1HA GLY 29 1HA GLY 29 5.888 -2.519 10.764 203 2HA GLY 29 2HA GLY 29 5.328 -1.346 11.946 204 H LYS 30 H LYS 30 2.777 -0.983 10.524 205 HA LYS 30 HA LYS 30 1.289 -3.043 11.899 206 1HB LYS 30 1HB LYS 30 0.343 -0.759 11.576 207 2HB LYS 30 2HB LYS 30 0.372 -0.975 9.839 208 1HG LYS 30 1HG LYS 30 -1.897 -1.363 10.647 209 2HG LYS 30 2HG LYS 30 -1.257 -2.877 10.054 210 1HD LYS 30 1HD LYS 30 -0.642 -3.444 12.502 211 2HD LYS 30 2HD LYS 30 -1.505 -1.990 12.966 212 1HE LYS 30 1HE LYS 30 -2.987 -3.939 13.162 213 2HE LYS 30 2HE LYS 30 -3.564 -2.928 11.845 214 1HZ LYS 30 1HZ LYS 30 -2.836 -4.395 10.274 215 2HZ LYS 30 2HZ LYS 30 -3.288 -5.461 11.517 216 3HZ LYS 30 3HZ LYS 30 -1.651 -5.078 11.278 217 H ILE 31 H ILE 31 2.094 -2.374 8.575 218 HA ILE 31 HA ILE 31 0.620 -4.533 7.412 219 HB ILE 31 HB ILE 31 2.942 -2.844 6.383 220 1HG1 ILE 31 1HG1 ILE 31 -0.063 -2.867 5.774 221 2HG1 ILE 31 2HG1 ILE 31 0.722 -1.702 6.806 222 1HG2 ILE 31 1HG2 ILE 31 1.190 -4.808 4.837 223 2HG2 ILE 31 2HG2 ILE 31 2.881 -5.076 5.206 224 3HG2 ILE 31 3HG2 ILE 31 2.430 -3.762 4.153 225 1HD1 ILE 31 1HD1 ILE 31 0.372 -0.758 4.556 226 2HD1 ILE 31 2HD1 ILE 31 1.262 -2.069 3.823 227 3HD1 ILE 31 3HD1 ILE 31 2.096 -0.921 4.858 228 H GLY 32 H GLY 32 3.850 -4.189 8.691 229 1HA GLY 32 1HA GLY 32 4.900 -6.662 7.727 230 2HA GLY 32 2HA GLY 32 5.597 -5.674 9.006 231 H LYS 33 H LYS 33 2.810 -5.781 10.225 232 HA LYS 33 HA LYS 33 3.285 -8.097 11.897 233 1HB LYS 33 1HB LYS 33 2.854 -5.852 12.834 234 2HB LYS 33 2HB LYS 33 1.272 -5.909 12.105 235 1HG LYS 33 1HG LYS 33 1.163 -6.425 14.515 236 2HG LYS 33 2HG LYS 33 0.552 -7.735 13.548 237 1HD LYS 33 1HD LYS 33 1.911 -8.684 15.296 238 2HD LYS 33 2HD LYS 33 2.810 -8.892 13.813 239 1HE LYS 33 1HE LYS 33 3.289 -6.615 15.792 240 2HE LYS 33 2HE LYS 33 4.216 -8.104 15.762 241 1HZ LYS 33 1HZ LYS 33 5.539 -6.994 14.405 242 2HZ LYS 33 2HZ LYS 33 4.374 -5.811 14.050 243 3HZ LYS 33 3HZ LYS 33 4.370 -7.286 13.208 244 H LEU 34 H LEU 34 1.501 -7.518 9.155 245 HA LEU 34 HA LEU 34 -0.898 -8.874 9.722 246 1HB LEU 34 1HB LEU 34 0.517 -8.327 7.106 247 2HB LEU 34 2HB LEU 34 -1.134 -8.878 7.242 248 HG LEU 34 HG LEU 34 -0.066 -6.261 8.368 249 1HD1 LEU 34 1HD1 LEU 34 -1.426 -5.222 6.548 250 2HD1 LEU 34 2HD1 LEU 34 -1.877 -6.819 5.975 251 3HD1 LEU 34 3HD1 LEU 34 -0.206 -6.289 5.877 252 1HD2 LEU 34 1HD2 LEU 34 -2.442 -5.702 8.779 253 2HD2 LEU 34 2HD2 LEU 34 -1.981 -7.107 9.712 254 3HD2 LEU 34 3HD2 LEU 34 -2.926 -7.305 8.246 255 H GLN 35 H GLN 35 -1.189 -10.929 10.080 256 HA GLN 35 HA GLN 35 0.807 -12.925 9.439 257 1HB GLN 35 1HB GLN 35 -1.980 -13.150 10.654 258 2HB GLN 35 2HB GLN 35 -0.847 -14.487 10.537 259 1HG GLN 35 1HG GLN 35 0.803 -13.218 11.914 260 2HG GLN 35 2HG GLN 35 -0.321 -11.870 12.028 261 1HE2 GLN 35 1HE2 GLN 35 -1.612 -11.894 13.853 262 2HE2 GLN 35 2HE2 GLN 35 -1.989 -13.273 14.768 263 H GLY 36 H GLY 36 0.659 -14.504 7.898 264 1HA GLY 36 1HA GLY 36 -0.249 -15.771 6.149 265 2HA GLY 36 2HA GLY 36 -1.706 -14.794 6.219 266 H VAL 37 H VAL 37 0.918 -12.770 6.213 267 HA VAL 37 HA VAL 37 0.607 -12.124 3.366 268 HB VAL 37 HB VAL 37 1.766 -10.617 5.779 269 1HG1 VAL 37 1HG1 VAL 37 1.768 -9.747 2.856 270 2HG1 VAL 37 2HG1 VAL 37 3.211 -10.155 3.775 271 3HG1 VAL 37 3HG1 VAL 37 2.252 -8.761 4.235 272 1HG2 VAL 37 1HG2 VAL 37 -0.049 -9.050 5.135 273 2HG2 VAL 37 2HG2 VAL 37 -0.691 -10.664 5.437 274 3HG2 VAL 37 3HG2 VAL 37 -0.477 -10.091 3.792 275 H GLN 38 H GLN 38 2.232 -12.169 1.953 276 HA GLN 38 HA GLN 38 4.583 -13.819 2.685 277 1HB GLN 38 1HB GLN 38 3.409 -13.025 -0.009 278 2HB GLN 38 2HB GLN 38 4.776 -14.110 0.214 279 1HG GLN 38 1HG GLN 38 3.402 -15.729 1.361 280 2HG GLN 38 2HG GLN 38 2.049 -14.606 1.468 281 1HE2 GLN 38 1HE2 GLN 38 1.567 -13.621 -0.899 282 2HE2 GLN 38 2HE2 GLN 38 1.392 -14.802 -2.101 283 H ARG 39 H ARG 39 4.246 -11.415 0.218 284 HA ARG 39 HA ARG 39 6.843 -10.189 1.002 285 1HB ARG 39 1HB ARG 39 6.268 -10.958 -1.442 286 2HB ARG 39 2HB ARG 39 5.233 -9.547 -1.477 287 1HG ARG 39 1HG ARG 39 7.251 -8.962 -2.574 288 2HG ARG 39 2HG ARG 39 7.122 -8.036 -1.104 289 1HD ARG 39 1HD ARG 39 8.707 -10.630 -1.185 290 2HD ARG 39 2HD ARG 39 9.440 -9.116 -1.680 291 HE ARG 39 HE ARG 39 8.779 -9.916 1.050 292 1HH1 ARG 39 1HH1 ARG 39 9.350 -7.270 -1.120 293 2HH1 ARG 39 2HH1 ARG 39 9.818 -6.187 0.146 294 1HH2 ARG 39 1HH2 ARG 39 9.369 -8.557 2.664 295 2HH2 ARG 39 2HH2 ARG 39 9.828 -6.922 2.318 296 H ILE 40 H ILE 40 7.063 -7.923 0.966 297 HA ILE 40 HA ILE 40 4.694 -6.230 1.272 298 HB ILE 40 HB ILE 40 5.000 -7.067 3.557 299 1HG1 ILE 40 1HG1 ILE 40 6.126 -4.253 3.217 300 2HG1 ILE 40 2HG1 ILE 40 4.446 -4.695 3.372 301 1HG2 ILE 40 1HG2 ILE 40 7.313 -7.918 3.396 302 2HG2 ILE 40 2HG2 ILE 40 7.117 -6.935 4.823 303 3HG2 ILE 40 3HG2 ILE 40 7.950 -6.283 3.432 304 1HD1 ILE 40 1HD1 ILE 40 5.290 -3.812 5.515 305 2HD1 ILE 40 2HD1 ILE 40 6.564 -5.010 5.553 306 3HD1 ILE 40 3HD1 ILE 40 4.889 -5.511 5.706 307 H LYS 41 H LYS 41 5.224 -4.713 -0.191 308 HA LYS 41 HA LYS 41 7.895 -3.432 -0.041 309 1HB LYS 41 1HB LYS 41 8.058 -3.571 -2.542 310 2HB LYS 41 2HB LYS 41 8.390 -5.020 -1.622 311 1HG LYS 41 1HG LYS 41 5.990 -5.753 -2.056 312 2HG LYS 41 2HG LYS 41 5.835 -4.387 -3.151 313 1HD LYS 41 1HD LYS 41 8.039 -6.421 -3.337 314 2HD LYS 41 2HD LYS 41 6.494 -6.622 -4.154 315 1HE LYS 41 1HE LYS 41 6.910 -4.439 -5.367 316 2HE LYS 41 2HE LYS 41 8.478 -4.321 -4.577 317 1HZ LYS 41 1HZ LYS 41 8.642 -5.252 -6.787 318 2HZ LYS 41 2HZ LYS 41 7.619 -6.534 -6.343 319 3HZ LYS 41 3HZ LYS 41 9.141 -6.369 -5.608 320 H VAL 42 H VAL 42 7.138 -1.539 0.581 321 HA VAL 42 HA VAL 42 4.926 -0.220 -0.862 322 HB VAL 42 HB VAL 42 6.526 0.674 1.586 323 1HG1 VAL 42 1HG1 VAL 42 3.893 1.739 0.458 324 2HG1 VAL 42 2HG1 VAL 42 5.433 2.583 0.418 325 3HG1 VAL 42 3HG1 VAL 42 4.660 2.251 1.950 326 1HG2 VAL 42 1HG2 VAL 42 3.775 -0.642 1.425 327 2HG2 VAL 42 2HG2 VAL 42 4.528 -0.041 2.893 328 3HG2 VAL 42 3HG2 VAL 42 5.232 -1.402 2.041 329 H SER 43 H SER 43 5.127 1.721 -1.840 330 HA SER 43 HA SER 43 7.890 2.439 -2.761 331 1HB SER 43 1HB SER 43 6.488 1.609 -4.604 332 2HB SER 43 2HB SER 43 5.207 2.745 -4.188 333 HG SER 43 HG SER 43 7.831 3.660 -4.603 334 H LEU 44 H LEU 44 8.515 4.497 -2.774 335 HA LEU 44 HA LEU 44 7.607 6.292 -0.788 336 1HB LEU 44 1HB LEU 44 9.842 6.081 -2.347 337 2HB LEU 44 2HB LEU 44 9.056 7.394 -3.188 338 HG LEU 44 HG LEU 44 9.779 7.361 -0.222 339 1HD1 LEU 44 1HD1 LEU 44 11.459 9.076 -0.874 340 2HD1 LEU 44 2HD1 LEU 44 10.994 8.892 -2.559 341 3HD1 LEU 44 3HD1 LEU 44 11.745 7.556 -1.700 342 1HD2 LEU 44 1HD2 LEU 44 8.597 9.632 -1.882 343 2HD2 LEU 44 2HD2 LEU 44 9.183 9.773 -0.233 344 3HD2 LEU 44 3HD2 LEU 44 7.790 8.780 -0.570 345 H ASP 45 H ASP 45 6.624 5.813 -4.048 346 HA ASP 45 HA ASP 45 5.374 8.264 -4.701 347 1HB ASP 45 1HB ASP 45 5.748 6.562 -6.400 348 2HB ASP 45 2HB ASP 45 4.801 5.380 -5.522 349 H ASN 46 H ASN 46 4.389 8.990 -2.788 350 HA ASN 46 HA ASN 46 2.717 9.237 -1.167 351 1HB ASN 46 1HB ASN 46 1.036 8.272 -3.546 352 2HB ASN 46 2HB ASN 46 0.449 9.226 -2.190 353 1HD2 ASN 46 1HD2 ASN 46 1.186 11.461 -2.003 354 2HD2 ASN 46 2HD2 ASN 46 1.837 12.274 -3.343 355 H GLN 47 H GLN 47 4.002 7.075 -0.593 356 HA GLN 47 HA GLN 47 4.047 4.946 0.265 357 1HB GLN 47 1HB GLN 47 2.865 6.492 1.886 358 2HB GLN 47 2HB GLN 47 1.351 5.938 1.230 359 1HG GLN 47 1HG GLN 47 1.632 4.621 3.222 360 2HG GLN 47 2HG GLN 47 2.122 3.524 1.958 361 1HE2 GLN 47 1HE2 GLN 47 4.697 5.600 1.994 362 2HE2 GLN 47 2HE2 GLN 47 5.651 4.828 3.165 363 H GLU 48 H GLU 48 3.457 4.708 -2.233 364 HA GLU 48 HA GLU 48 0.989 3.258 -2.754 365 1HB GLU 48 1HB GLU 48 1.969 4.473 -4.570 366 2HB GLU 48 2HB GLU 48 3.547 3.770 -4.342 367 1HG GLU 48 1HG GLU 48 2.596 1.565 -5.159 368 2HG GLU 48 2HG GLU 48 1.021 2.330 -5.312 369 H ALA 49 H ALA 49 0.934 1.772 -1.273 370 HA ALA 49 HA ALA 49 2.998 -0.153 -0.715 371 1HB ALA 49 1HB ALA 49 1.257 -1.071 0.829 372 2HB ALA 49 2HB ALA 49 0.086 0.013 0.094 373 3HB ALA 49 3HB ALA 49 1.451 0.665 0.988 374 H THR 50 H THR 50 3.344 -2.142 -1.574 375 HA THR 50 HA THR 50 1.165 -3.419 -3.158 376 HB THR 50 HB THR 50 4.110 -3.100 -3.972 377 HG1 THR 50 HG1 THR 50 3.103 -1.862 -5.584 378 1HG2 THR 50 1HG2 THR 50 3.001 -5.323 -4.790 379 2HG2 THR 50 2HG2 THR 50 3.341 -4.219 -6.107 380 3HG2 THR 50 3HG2 THR 50 1.713 -4.360 -5.472 381 H ILE 51 H ILE 51 0.941 -4.388 -1.088 382 HA ILE 51 HA ILE 51 2.966 -6.272 -0.112 383 HB ILE 51 HB ILE 51 0.107 -5.646 0.743 384 1HG1 ILE 51 1HG1 ILE 51 1.066 -4.672 2.705 385 2HG1 ILE 51 2HG1 ILE 51 2.688 -5.188 2.280 386 1HG2 ILE 51 1HG2 ILE 51 2.111 -7.491 2.076 387 2HG2 ILE 51 2HG2 ILE 51 0.625 -8.012 1.292 388 3HG2 ILE 51 3HG2 ILE 51 0.557 -7.022 2.742 389 1HD1 ILE 51 1HD1 ILE 51 2.679 -3.610 0.387 390 2HD1 ILE 51 2HD1 ILE 51 2.332 -2.794 1.893 391 3HD1 ILE 51 3HD1 ILE 51 1.015 -3.167 0.781 392 H VAL 52 H VAL 52 3.043 -8.423 -0.639 393 HA VAL 52 HA VAL 52 0.902 -9.505 -2.372 394 HB VAL 52 HB VAL 52 3.691 -10.615 -1.867 395 1HG1 VAL 52 1HG1 VAL 52 2.076 -12.264 -2.619 396 2HG1 VAL 52 2HG1 VAL 52 3.265 -11.940 -3.872 397 3HG1 VAL 52 3HG1 VAL 52 1.651 -11.253 -3.994 398 1HG2 VAL 52 1HG2 VAL 52 3.810 -8.371 -2.988 399 2HG2 VAL 52 2HG2 VAL 52 2.657 -8.921 -4.192 400 3HG2 VAL 52 3HG2 VAL 52 4.260 -9.647 -4.112 401 H TYR 53 H TYR 53 -0.159 -11.243 -1.648 402 HA TYR 53 HA TYR 53 0.768 -12.683 0.726 403 1HB TYR 53 1HB TYR 53 -1.268 -12.110 2.084 404 2HB TYR 53 2HB TYR 53 -0.230 -10.728 1.782 405 HD1 TYR 53 HD1 TYR 53 -0.953 -8.996 0.105 406 HD2 TYR 53 HD2 TYR 53 -3.480 -12.243 1.198 407 HE1 TYR 53 HE1 TYR 53 -2.881 -7.813 -0.829 408 HE2 TYR 53 HE2 TYR 53 -5.405 -11.057 0.257 409 HH TYR 53 HH TYR 53 -5.599 -7.996 -0.254 410 H GLN 54 H GLN 54 -1.064 -14.048 1.618 411 HA GLN 54 HA GLN 54 -2.085 -15.733 -0.590 412 1HB GLN 54 1HB GLN 54 -1.910 -16.212 2.406 413 2HB GLN 54 2HB GLN 54 -2.323 -17.418 1.194 414 1HG GLN 54 1HG GLN 54 -0.122 -17.449 0.291 415 2HG GLN 54 2HG GLN 54 0.299 -15.900 0.995 416 1HE2 GLN 54 1HE2 GLN 54 0.848 -15.796 3.224 417 2HE2 GLN 54 2HE2 GLN 54 1.219 -17.174 4.137 418 HA PRO 55 HA PRO 55 -5.786 -13.335 0.114 419 1HB PRO 55 1HB PRO 55 -7.527 -14.736 -1.553 420 2HB PRO 55 2HB PRO 55 -6.392 -13.503 -2.088 421 1HG PRO 55 1HG PRO 55 -6.158 -16.484 -2.248 422 2HG PRO 55 2HG PRO 55 -5.560 -15.269 -3.365 423 1HD PRO 55 1HD PRO 55 -3.956 -16.610 -1.520 424 2HD PRO 55 2HD PRO 55 -3.559 -15.003 -2.165 425 H HIS 56 H HIS 56 -6.352 -16.775 -0.137 426 HA HIS 56 HA HIS 56 -8.631 -17.056 1.484 427 1HB HIS 56 1HB HIS 56 -7.848 -19.478 1.663 428 2HB HIS 56 2HB HIS 56 -7.894 -18.847 0.023 429 HD1 HIS 56 HD1 HIS 56 -5.752 -19.194 -1.185 430 HD2 HIS 56 HD2 HIS 56 -5.039 -19.134 2.833 431 HE1 HIS 56 HE1 HIS 56 -3.346 -19.656 -0.898 432 H LEU 57 H LEU 57 -5.393 -16.543 2.402 433 HA LEU 57 HA LEU 57 -5.761 -17.424 5.157 434 1HB LEU 57 1HB LEU 57 -3.643 -17.325 3.363 435 2HB LEU 57 2HB LEU 57 -3.310 -15.944 4.362 436 HG LEU 57 HG LEU 57 -3.184 -17.296 6.389 437 1HD1 LEU 57 1HD1 LEU 57 -3.842 -19.703 4.600 438 2HD1 LEU 57 2HD1 LEU 57 -4.929 -19.075 5.825 439 3HD1 LEU 57 3HD1 LEU 57 -3.403 -19.778 6.295 440 1HD2 LEU 57 1HD2 LEU 57 -1.204 -17.161 4.864 441 2HD2 LEU 57 2HD2 LEU 57 -1.757 -18.606 4.038 442 3HD2 LEU 57 3HD2 LEU 57 -1.238 -18.702 5.714 443 H ILE 58 H ILE 58 -5.311 -14.469 3.374 444 HA ILE 58 HA ILE 58 -6.693 -12.911 5.371 445 HB ILE 58 HB ILE 58 -4.503 -13.052 6.452 446 1HG1 ILE 58 1HG1 ILE 58 -4.781 -10.247 5.273 447 2HG1 ILE 58 2HG1 ILE 58 -5.840 -10.865 6.527 448 1HG2 ILE 58 1HG2 ILE 58 -2.447 -12.132 5.309 449 2HG2 ILE 58 2HG2 ILE 58 -3.391 -11.822 3.868 450 3HG2 ILE 58 3HG2 ILE 58 -3.119 -13.470 4.407 451 1HD1 ILE 58 1HD1 ILE 58 -2.821 -10.540 6.738 452 2HD1 ILE 58 2HD1 ILE 58 -3.869 -11.179 8.001 453 3HD1 ILE 58 3HD1 ILE 58 -4.033 -9.512 7.480 454 H SER 59 H SER 59 -6.881 -10.659 4.789 455 HA SER 59 HA SER 59 -6.440 -10.008 1.905 456 1HB SER 59 1HB SER 59 -8.964 -9.498 3.536 457 2HB SER 59 2HB SER 59 -8.660 -8.966 1.868 458 HG SER 59 HG SER 59 -8.425 -11.107 1.259 459 H VAL 60 H VAL 60 -4.946 -8.624 2.118 460 HA VAL 60 HA VAL 60 -4.558 -6.812 4.291 461 HB VAL 60 HB VAL 60 -3.390 -6.881 1.477 462 1HG1 VAL 60 1HG1 VAL 60 -2.991 -4.645 2.530 463 2HG1 VAL 60 2HG1 VAL 60 -1.497 -5.549 2.430 464 3HG1 VAL 60 3HG1 VAL 60 -2.347 -5.430 3.961 465 1HG2 VAL 60 1HG2 VAL 60 -1.478 -8.046 2.590 466 2HG2 VAL 60 2HG2 VAL 60 -2.967 -8.946 2.794 467 3HG2 VAL 60 3HG2 VAL 60 -2.335 -7.988 4.120 468 H GLU 61 H GLU 61 -6.527 -6.732 1.533 469 HA GLU 61 HA GLU 61 -6.685 -3.970 0.980 470 1HB GLU 61 1HB GLU 61 -7.606 -5.849 -0.423 471 2HB GLU 61 2HB GLU 61 -8.866 -6.099 0.773 472 1HG GLU 61 1HG GLU 61 -9.744 -3.860 0.401 473 2HG GLU 61 2HG GLU 61 -8.396 -3.465 -0.657 474 H GLU 62 H GLU 62 -8.064 -5.890 3.542 475 HA GLU 62 HA GLU 62 -10.044 -3.999 4.405 476 1HB GLU 62 1HB GLU 62 -10.001 -6.423 4.995 477 2HB GLU 62 2HB GLU 62 -8.543 -6.179 5.912 478 1HG GLU 62 1HG GLU 62 -10.580 -6.201 7.403 479 2HG GLU 62 2HG GLU 62 -9.648 -4.727 7.540 480 H MET 63 H MET 63 -6.729 -4.691 5.176 481 HA MET 63 HA MET 63 -6.345 -2.852 7.286 482 1HB MET 63 1HB MET 63 -4.347 -3.798 5.278 483 2HB MET 63 2HB MET 63 -3.950 -3.058 6.805 484 1HG MET 63 1HG MET 63 -5.478 -5.661 6.471 485 2HG MET 63 2HG MET 63 -3.804 -5.525 6.895 486 1HE MET 63 1HE MET 63 -7.257 -5.784 7.781 487 2HE MET 63 2HE MET 63 -7.443 -4.215 8.588 488 3HE MET 63 3HE MET 63 -7.353 -5.713 9.520 489 H LYS 64 H LYS 64 -6.316 -2.524 3.807 490 HA LYS 64 HA LYS 64 -5.129 0.093 3.685 491 1HB LYS 64 1HB LYS 64 -7.101 -1.203 1.748 492 2HB LYS 64 2HB LYS 64 -6.153 0.217 1.399 493 1HG LYS 64 1HG LYS 64 -5.093 -2.587 1.925 494 2HG LYS 64 2HG LYS 64 -5.103 -1.752 0.397 495 1HD LYS 64 1HD LYS 64 -3.431 -1.048 2.852 496 2HD LYS 64 2HD LYS 64 -2.852 -1.660 1.323 497 1HE LYS 64 1HE LYS 64 -3.666 0.434 0.188 498 2HE LYS 64 2HE LYS 64 -4.126 1.074 1.755 499 1HZ LYS 64 1HZ LYS 64 -1.465 0.110 1.807 500 2HZ LYS 64 2HZ LYS 64 -2.072 1.653 2.178 501 3HZ LYS 64 3HZ LYS 64 -1.675 1.260 0.574 502 H LYS 65 H LYS 65 -8.423 -1.054 4.177 503 HA LYS 65 HA LYS 65 -9.720 1.426 3.810 504 1HB LYS 65 1HB LYS 65 -10.847 -0.806 3.918 505 2HB LYS 65 2HB LYS 65 -10.415 -0.948 5.601 506 1HG LYS 65 1HG LYS 65 -12.031 1.449 4.752 507 2HG LYS 65 2HG LYS 65 -12.836 -0.102 4.898 508 1HD LYS 65 1HD LYS 65 -12.184 -0.313 7.230 509 2HD LYS 65 2HD LYS 65 -11.190 1.124 7.181 510 1HE LYS 65 1HE LYS 65 -13.243 2.476 6.661 511 2HE LYS 65 2HE LYS 65 -14.208 1.012 6.826 512 1HZ LYS 65 1HZ LYS 65 -13.473 0.786 9.080 513 2HZ LYS 65 2HZ LYS 65 -14.140 2.331 8.853 514 3HZ LYS 65 3HZ LYS 65 -12.455 2.137 8.930 515 H GLN 66 H GLN 66 -8.018 0.070 6.538 516 HA GLN 66 HA GLN 66 -8.849 1.980 8.455 517 1HB GLN 66 1HB GLN 66 -6.189 0.494 8.427 518 2HB GLN 66 2HB GLN 66 -7.132 0.971 9.823 519 1HG GLN 66 1HG GLN 66 -7.879 -1.194 7.811 520 2HG GLN 66 2HG GLN 66 -7.358 -1.448 9.444 521 1HE2 GLN 66 1HE2 GLN 66 -10.037 -1.737 7.748 522 2HE2 GLN 66 2HE2 GLN 66 -11.211 -1.211 8.853 523 H ILE 67 H ILE 67 -6.219 1.774 6.171 524 HA ILE 67 HA ILE 67 -4.746 4.079 7.021 525 HB ILE 67 HB ILE 67 -4.980 2.638 4.349 526 1HG1 ILE 67 1HG1 ILE 67 -2.913 2.480 6.580 527 2HG1 ILE 67 2HG1 ILE 67 -4.150 1.290 6.300 528 1HG2 ILE 67 1HG2 ILE 67 -2.828 3.743 3.752 529 2HG2 ILE 67 2HG2 ILE 67 -2.928 4.705 5.218 530 3HG2 ILE 67 3HG2 ILE 67 -4.129 4.888 3.949 531 1HD1 ILE 67 1HD1 ILE 67 -3.203 0.807 4.041 532 2HD1 ILE 67 2HD1 ILE 67 -2.044 0.502 5.316 533 3HD1 ILE 67 3HD1 ILE 67 -1.911 1.951 4.338 534 H GLU 68 H GLU 68 -7.446 3.500 4.961 535 HA GLU 68 HA GLU 68 -7.636 6.250 3.953 536 1HB GLU 68 1HB GLU 68 -9.446 3.841 3.770 537 2HB GLU 68 2HB GLU 68 -9.720 5.354 2.922 538 1HG GLU 68 1HG GLU 68 -7.605 5.104 1.707 539 2HG GLU 68 2HG GLU 68 -7.141 3.710 2.639 540 H ALA 69 H ALA 69 -8.839 4.415 6.576 541 HA ALA 69 HA ALA 69 -11.063 6.172 7.209 542 1HB ALA 69 1HB ALA 69 -9.606 4.127 8.916 543 2HB ALA 69 2HB ALA 69 -11.024 3.808 7.923 544 3HB ALA 69 3HB ALA 69 -11.145 4.877 9.316 545 H MET 70 H MET 70 -7.674 5.871 8.221 546 HA MET 70 HA MET 70 -7.884 7.816 10.286 547 1HB MET 70 1HB MET 70 -5.604 7.325 10.622 548 2HB MET 70 2HB MET 70 -6.258 5.829 10.014 549 1HG MET 70 1HG MET 70 -4.546 5.884 8.590 550 2HG MET 70 2HG MET 70 -5.521 7.013 7.692 551 1HE MET 70 1HE MET 70 -1.517 7.735 7.867 552 2HE MET 70 2HE MET 70 -2.705 6.757 7.031 553 3HE MET 70 3HE MET 70 -2.143 6.290 8.654 554 H GLY 71 H GLY 71 -7.717 8.024 6.908 555 1HA GLY 71 1HA GLY 71 -8.176 10.373 6.133 556 2HA GLY 71 2HA GLY 71 -6.778 10.862 7.060 557 H PHE 72 H PHE 72 -6.235 7.949 5.348 558 HA PHE 72 HA PHE 72 -4.846 9.479 3.171 559 1HB PHE 72 1HB PHE 72 -3.954 6.890 4.536 560 2HB PHE 72 2HB PHE 72 -3.306 7.520 3.062 561 HD1 PHE 72 HD1 PHE 72 -4.166 9.040 6.411 562 HD2 PHE 72 HD2 PHE 72 -1.293 8.581 3.304 563 HE1 PHE 72 HE1 PHE 72 -2.620 10.493 7.620 564 HE2 PHE 72 HE2 PHE 72 0.247 10.034 4.506 565 HZ PHE 72 HZ PHE 72 -0.416 11.005 6.680 566 HA PRO 73 HA PRO 73 -8.090 7.000 0.968 567 1HB PRO 73 1HB PRO 73 -7.317 8.806 -1.212 568 2HB PRO 73 2HB PRO 73 -8.905 8.447 -0.550 569 1HG PRO 73 1HG PRO 73 -7.438 10.816 -0.093 570 2HG PRO 73 2HG PRO 73 -8.839 10.294 0.825 571 1HD PRO 73 1HD PRO 73 -6.042 10.358 1.683 572 2HD PRO 73 2HD PRO 73 -7.482 10.019 2.659 573 H ALA 74 H ALA 74 -7.597 5.313 -0.210 574 HA ALA 74 HA ALA 74 -4.921 5.126 -1.526 575 1HB ALA 74 1HB ALA 74 -6.283 2.958 0.128 576 2HB ALA 74 2HB ALA 74 -4.897 3.907 0.640 577 3HB ALA 74 3HB ALA 74 -4.745 2.792 -0.707 578 H PHE 75 H PHE 75 -5.037 4.760 -3.483 579 HA PHE 75 HA PHE 75 -7.494 3.874 -4.796 580 1HB PHE 75 1HB PHE 75 -4.786 4.528 -6.062 581 2HB PHE 75 2HB PHE 75 -6.348 4.519 -6.865 582 HD1 PHE 75 HD1 PHE 75 -3.971 6.666 -5.568 583 HD2 PHE 75 HD2 PHE 75 -8.188 6.043 -5.440 584 HE1 PHE 75 HE1 PHE 75 -4.301 9.010 -4.939 585 HE2 PHE 75 HE2 PHE 75 -8.509 8.391 -4.813 586 HZ PHE 75 HZ PHE 75 -6.569 9.880 -4.561 587 H VAL 76 H VAL 76 -7.460 1.828 -3.750 588 HA VAL 76 HA VAL 76 -5.420 -0.146 -4.204 589 HB VAL 76 HB VAL 76 -8.373 -0.447 -3.426 590 1HG1 VAL 76 1HG1 VAL 76 -7.449 -2.601 -4.281 591 2HG1 VAL 76 2HG1 VAL 76 -7.718 -2.682 -2.555 592 3HG1 VAL 76 3HG1 VAL 76 -6.093 -2.471 -3.175 593 1HG2 VAL 76 1HG2 VAL 76 -5.856 -0.373 -1.697 594 2HG2 VAL 76 2HG2 VAL 76 -7.487 -0.643 -1.106 595 3HG2 VAL 76 3HG2 VAL 76 -7.054 0.904 -1.805 596 H LYS 77 H LYS 77 -4.955 -0.893 -6.104 597 HA LYS 77 HA LYS 77 -6.808 -0.866 -8.373 598 1HB LYS 77 1HB LYS 77 -3.948 -1.939 -8.195 599 2HB LYS 77 2HB LYS 77 -4.821 -1.550 -9.665 600 1HG LYS 77 1HG LYS 77 -4.957 0.835 -8.988 601 2HG LYS 77 2HG LYS 77 -4.087 0.478 -7.507 602 1HD LYS 77 1HD LYS 77 -2.150 -0.358 -8.893 603 2HD LYS 77 2HD LYS 77 -3.005 0.161 -10.335 604 1HE LYS 77 1HE LYS 77 -2.174 1.979 -8.027 605 2HE LYS 77 2HE LYS 77 -1.384 1.891 -9.594 606 1HZ LYS 77 1HZ LYS 77 -2.815 3.710 -9.684 607 2HZ LYS 77 2HZ LYS 77 -4.105 2.855 -8.985 608 3HZ LYS 77 3HZ LYS 77 -3.600 2.489 -10.565 609 H LYS 78 H LYS 78 -5.321 -3.387 -9.340 610 HA LYS 78 HA LYS 78 -5.862 -5.600 -9.654 611 1HB LYS 78 1HB LYS 78 -4.702 -5.620 -7.370 612 2HB LYS 78 2HB LYS 78 -6.264 -5.515 -6.601 613 1HG LYS 78 1HG LYS 78 -6.011 -7.817 -6.512 614 2HG LYS 78 2HG LYS 78 -6.756 -7.725 -8.079 615 1HD LYS 78 1HD LYS 78 -3.758 -7.874 -7.595 616 2HD LYS 78 2HD LYS 78 -4.773 -9.214 -8.075 617 1HE LYS 78 1HE LYS 78 -4.172 -6.732 -9.740 618 2HE LYS 78 2HE LYS 78 -3.647 -8.373 -10.045 619 1HZ LYS 78 1HZ LYS 78 -6.470 -7.484 -10.025 620 2HZ LYS 78 2HZ LYS 78 -5.918 -9.059 -10.344 621 3HZ LYS 78 3HZ LYS 78 -5.534 -7.790 -11.408 622 H GLN 79 H GLN 79 -7.963 -6.322 -7.149 623 HA GLN 79 HA GLN 79 -10.204 -6.930 -7.144 624 1HB GLN 79 1HB GLN 79 -10.238 -4.450 -6.716 625 2HB GLN 79 2HB GLN 79 -10.480 -4.170 -8.430 626 1HG GLN 79 1HG GLN 79 -12.624 -5.473 -8.337 627 2HG GLN 79 2HG GLN 79 -12.361 -5.765 -6.624 628 1HE2 GLN 79 1HE2 GLN 79 -12.340 -3.824 -5.186 629 2HE2 GLN 79 2HE2 GLN 79 -13.202 -2.436 -5.652 630 HA PRO 80 HA PRO 80 -9.677 -8.112 -11.566 631 1HB PRO 80 1HB PRO 80 -10.210 -10.849 -11.230 632 2HB PRO 80 2HB PRO 80 -8.633 -10.089 -11.128 633 1HG PRO 80 1HG PRO 80 -10.369 -11.066 -8.936 634 2HG PRO 80 2HG PRO 80 -8.625 -10.848 -8.960 635 1HD PRO 80 1HD PRO 80 -10.499 -9.122 -7.708 636 2HD PRO 80 2HD PRO 80 -8.798 -8.740 -8.024 637 H LYS 81 H LYS 81 -12.028 -10.473 -10.439 638 HA LYS 81 HA LYS 81 -14.388 -8.988 -11.174 639 1HB LYS 81 1HB LYS 81 -14.941 -10.231 -13.280 640 2HB LYS 81 2HB LYS 81 -13.451 -9.347 -13.462 641 1HG LYS 81 1HG LYS 81 -12.126 -11.393 -13.029 642 2HG LYS 81 2HG LYS 81 -13.600 -12.317 -12.788 643 1HD LYS 81 1HD LYS 81 -14.316 -11.782 -15.115 644 2HD LYS 81 2HD LYS 81 -12.835 -10.870 -15.360 645 1HE LYS 81 1HE LYS 81 -11.495 -12.929 -14.961 646 2HE LYS 81 2HE LYS 81 -12.976 -13.844 -14.699 647 1HZ LYS 81 1HZ LYS 81 -13.640 -13.033 -16.982 648 2HZ LYS 81 2HZ LYS 81 -12.421 -14.212 -16.901 649 3HZ LYS 81 3HZ LYS 81 -12.013 -12.588 -17.185 650 H TYR 82 H TYR 82 -15.894 -11.199 -12.068 651 HA TYR 82 HA TYR 82 -17.170 -12.962 -11.377 652 1HB TYR 82 1HB TYR 82 -15.031 -14.252 -11.224 653 2HB TYR 82 2HB TYR 82 -14.798 -13.700 -9.571 654 HD1 TYR 82 HD1 TYR 82 -17.128 -15.618 -11.761 655 HD2 TYR 82 HD2 TYR 82 -15.958 -14.757 -7.755 656 HE1 TYR 82 HE1 TYR 82 -18.582 -17.409 -10.947 657 HE2 TYR 82 HE2 TYR 82 -17.416 -16.549 -6.948 658 HH TYR 82 HH TYR 82 -19.831 -17.802 -8.537 659 H LEU 83 H LEU 83 -18.711 -13.343 -10.005 660 HA LEU 83 HA LEU 83 -18.751 -12.740 -7.192 661 1HB LEU 83 1HB LEU 83 -18.927 -10.397 -8.265 662 2HB LEU 83 2HB LEU 83 -20.374 -10.916 -9.077 663 HG LEU 83 HG LEU 83 -20.851 -9.518 -7.084 664 1HD1 LEU 83 1HD1 LEU 83 -22.541 -10.920 -5.993 665 2HD1 LEU 83 2HD1 LEU 83 -21.829 -12.374 -6.643 666 3HD1 LEU 83 3HD1 LEU 83 -22.562 -11.198 -7.723 667 1HD2 LEU 83 1HD2 LEU 83 -19.573 -11.761 -5.468 668 2HD2 LEU 83 2HD2 LEU 83 -20.414 -10.375 -4.804 669 3HD2 LEU 83 3HD2 LEU 83 -18.920 -10.147 -5.692 670 H LYS 84 H LYS 84 -20.896 -12.631 -9.982 671 HA LYS 84 HA LYS 84 -22.911 -14.349 -8.843 672 1HB LYS 84 1HB LYS 84 -23.331 -12.574 -10.556 673 2HB LYS 84 2HB LYS 84 -22.431 -13.508 -11.734 674 1HG LYS 84 1HG LYS 84 -24.074 -15.341 -11.601 675 2HG LYS 84 2HG LYS 84 -24.943 -14.504 -10.323 676 1HD LYS 84 1HD LYS 84 -25.391 -12.607 -11.892 677 2HD LYS 84 2HD LYS 84 -24.533 -13.460 -13.163 678 1HE LYS 84 1HE LYS 84 -26.183 -15.313 -13.050 679 2HE LYS 84 2HE LYS 84 -27.030 -14.489 -11.748 680 1HZ LYS 84 1HZ LYS 84 -27.597 -12.722 -13.178 681 2HZ LYS 84 2HZ LYS 84 -27.982 -14.162 -13.993 682 3HZ LYS 84 3HZ LYS 84 -26.585 -13.293 -14.417 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -4.914 -21.065 -14.536 2 2H GLY 1 2H GLY 1 -3.590 -20.002 -14.496 3 3H GLY 1 3H GLY 1 -5.145 -19.410 -14.836 4 1HA GLY 1 1HA GLY 1 -4.896 -18.814 -12.645 5 2HA GLY 1 2HA GLY 1 -5.759 -20.353 -12.538 6 H SER 2 H SER 2 -3.254 -18.680 -11.344 7 HA SER 2 HA SER 2 -1.346 -19.070 -10.132 8 1HB SER 2 1HB SER 2 -1.525 -20.967 -8.499 9 2HB SER 2 2HB SER 2 -3.095 -20.189 -8.684 10 HG SER 2 HG SER 2 -2.241 -22.408 -10.215 11 H MET 3 H MET 3 -1.558 -20.544 -12.928 12 HA MET 3 HA MET 3 0.435 -22.659 -12.687 13 1HB MET 3 1HB MET 3 -0.691 -21.190 -15.112 14 2HB MET 3 2HB MET 3 0.407 -22.550 -15.225 15 1HG MET 3 1HG MET 3 -2.356 -22.585 -13.979 16 2HG MET 3 2HG MET 3 -1.915 -23.249 -15.518 17 1HE MET 3 1HE MET 3 -1.385 -23.515 -11.671 18 2HE MET 3 2HE MET 3 -1.680 -25.227 -11.482 19 3HE MET 3 3HE MET 3 -2.957 -24.213 -12.132 20 H ALA 4 H ALA 4 0.380 -19.363 -13.906 21 HA ALA 4 HA ALA 4 3.153 -19.208 -14.623 22 1HB ALA 4 1HB ALA 4 1.449 -17.666 -15.528 23 2HB ALA 4 2HB ALA 4 2.725 -16.755 -14.736 24 3HB ALA 4 3HB ALA 4 1.183 -16.995 -13.927 25 H GLN 5 H GLN 5 1.540 -18.995 -11.612 26 HA GLN 5 HA GLN 5 4.094 -18.570 -10.201 27 1HB GLN 5 1HB GLN 5 3.184 -16.268 -10.602 28 2HB GLN 5 2HB GLN 5 1.679 -16.712 -9.832 29 1HG GLN 5 1HG GLN 5 3.041 -17.187 -7.687 30 2HG GLN 5 2HG GLN 5 4.439 -16.542 -8.528 31 1HE2 GLN 5 1HE2 GLN 5 4.751 -14.345 -8.231 32 2HE2 GLN 5 2HE2 GLN 5 3.543 -13.236 -7.791 33 H ALA 6 H ALA 6 1.197 -17.909 -8.505 34 HA ALA 6 HA ALA 6 0.457 -20.623 -7.799 35 1HB ALA 6 1HB ALA 6 1.917 -18.879 -5.742 36 2HB ALA 6 2HB ALA 6 2.572 -20.341 -6.463 37 3HB ALA 6 3HB ALA 6 1.183 -20.439 -5.399 38 H GLY 7 H GLY 7 -0.515 -19.601 -5.140 39 1HA GLY 7 1HA GLY 7 -3.003 -18.415 -6.061 40 2HA GLY 7 2HA GLY 7 -2.558 -18.730 -4.382 41 H GLU 8 H GLU 8 -2.222 -17.024 -3.198 42 HA GLU 8 HA GLU 8 -2.122 -14.825 -2.499 43 1HB GLU 8 1HB GLU 8 0.076 -13.783 -2.964 44 2HB GLU 8 2HB GLU 8 0.211 -15.475 -2.569 45 1HG GLU 8 1HG GLU 8 0.571 -16.075 -4.913 46 2HG GLU 8 2HG GLU 8 0.224 -14.431 -5.433 47 H VAL 9 H VAL 9 -1.453 -12.545 -3.124 48 HA VAL 9 HA VAL 9 -2.625 -11.669 -5.717 49 HB VAL 9 HB VAL 9 -3.898 -9.831 -4.369 50 1HG1 VAL 9 1HG1 VAL 9 -4.759 -12.744 -4.060 51 2HG1 VAL 9 2HG1 VAL 9 -5.041 -11.745 -5.477 52 3HG1 VAL 9 3HG1 VAL 9 -5.820 -11.349 -3.955 53 1HG2 VAL 9 1HG2 VAL 9 -3.509 -11.848 -2.105 54 2HG2 VAL 9 2HG2 VAL 9 -4.521 -10.429 -2.063 55 3HG2 VAL 9 3HG2 VAL 9 -2.777 -10.252 -2.131 56 H VAL 10 H VAL 10 -1.015 -10.689 -6.615 57 HA VAL 10 HA VAL 10 0.863 -8.998 -5.079 58 HB VAL 10 HB VAL 10 2.184 -9.020 -7.250 59 1HG1 VAL 10 1HG1 VAL 10 2.721 -11.448 -7.237 60 2HG1 VAL 10 2HG1 VAL 10 1.257 -11.776 -6.327 61 3HG1 VAL 10 3HG1 VAL 10 2.555 -10.841 -5.605 62 1HG2 VAL 10 1HG2 VAL 10 -0.072 -10.817 -8.272 63 2HG2 VAL 10 2HG2 VAL 10 1.428 -10.476 -9.113 64 3HG2 VAL 10 3HG2 VAL 10 0.258 -9.199 -8.860 65 H LEU 11 H LEU 11 -1.326 -7.774 -4.881 66 HA LEU 11 HA LEU 11 -1.930 -5.935 -7.060 67 1HB LEU 11 1HB LEU 11 -3.431 -4.880 -5.239 68 2HB LEU 11 2HB LEU 11 -3.796 -6.487 -5.822 69 HG LEU 11 HG LEU 11 -2.895 -7.508 -3.790 70 1HD1 LEU 11 1HD1 LEU 11 -1.042 -5.987 -3.241 71 2HD1 LEU 11 2HD1 LEU 11 -2.110 -6.106 -1.877 72 3HD1 LEU 11 3HD1 LEU 11 -2.174 -4.684 -2.899 73 1HD2 LEU 11 1HD2 LEU 11 -5.233 -6.731 -3.752 74 2HD2 LEU 11 2HD2 LEU 11 -4.723 -5.151 -3.179 75 3HD2 LEU 11 3HD2 LEU 11 -4.523 -6.561 -2.159 76 H LYS 12 H LYS 12 -1.882 -3.682 -6.984 77 HA LYS 12 HA LYS 12 0.276 -2.462 -5.304 78 1HB LYS 12 1HB LYS 12 -0.489 -1.707 -8.182 79 2HB LYS 12 2HB LYS 12 0.756 -0.948 -7.227 80 1HG LYS 12 1HG LYS 12 1.953 -2.363 -8.662 81 2HG LYS 12 2HG LYS 12 1.907 -3.259 -7.167 82 1HD LYS 12 1HD LYS 12 -0.020 -4.629 -8.076 83 2HD LYS 12 2HD LYS 12 0.030 -3.678 -9.543 84 1HE LYS 12 1HE LYS 12 1.219 -5.811 -9.852 85 2HE LYS 12 2HE LYS 12 2.372 -4.487 -9.938 86 1HZ LYS 12 1HZ LYS 12 1.875 -5.703 -7.331 87 2HZ LYS 12 2HZ LYS 12 3.301 -5.037 -7.970 88 3HZ LYS 12 3HZ LYS 12 2.789 -6.582 -8.459 89 H MET 13 H MET 13 -0.977 -1.652 -3.774 90 HA MET 13 HA MET 13 -3.336 -0.010 -4.387 91 1HB MET 13 1HB MET 13 -1.784 -0.347 -1.819 92 2HB MET 13 2HB MET 13 -3.410 0.291 -1.945 93 1HG MET 13 1HG MET 13 -4.247 -1.873 -2.743 94 2HG MET 13 2HG MET 13 -2.641 -2.544 -2.716 95 1HE MET 13 1HE MET 13 -1.197 -2.478 -0.657 96 2HE MET 13 2HE MET 13 -1.850 -4.126 -0.607 97 3HE MET 13 3HE MET 13 -1.774 -3.135 0.851 98 H LYS 14 H LYS 14 -3.221 2.193 -4.554 99 HA LYS 14 HA LYS 14 -0.527 3.457 -4.187 100 1HB LYS 14 1HB LYS 14 -1.275 3.188 -6.513 101 2HB LYS 14 2HB LYS 14 -2.630 4.227 -6.130 102 1HG LYS 14 1HG LYS 14 -1.137 6.097 -5.570 103 2HG LYS 14 2HG LYS 14 0.272 5.059 -5.704 104 1HD LYS 14 1HD LYS 14 -0.133 4.769 -8.120 105 2HD LYS 14 2HD LYS 14 -1.601 5.726 -8.018 106 1HE LYS 14 1HE LYS 14 0.291 7.106 -8.837 107 2HE LYS 14 2HE LYS 14 -0.260 7.697 -7.277 108 1HZ LYS 14 1HZ LYS 14 1.628 7.059 -6.266 109 2HZ LYS 14 2HZ LYS 14 2.267 7.204 -7.831 110 3HZ LYS 14 3HZ LYS 14 1.830 5.678 -7.230 111 H VAL 15 H VAL 15 -0.847 4.045 -2.142 112 HA VAL 15 HA VAL 15 -2.957 5.417 -0.994 113 HB VAL 15 HB VAL 15 -0.061 4.886 -0.442 114 1HG1 VAL 15 1HG1 VAL 15 -0.094 7.284 0.183 115 2HG1 VAL 15 2HG1 VAL 15 0.077 6.240 1.580 116 3HG1 VAL 15 3HG1 VAL 15 -1.481 6.975 1.227 117 1HG2 VAL 15 1HG2 VAL 15 -2.504 4.779 1.315 118 2HG2 VAL 15 2HG2 VAL 15 -0.912 4.149 1.713 119 3HG2 VAL 15 3HG2 VAL 15 -1.832 3.429 0.394 120 H GLU 16 H GLU 16 -2.867 7.494 0.012 121 HA GLU 16 HA GLU 16 -2.044 9.713 -1.815 122 1HB GLU 16 1HB GLU 16 -4.545 9.364 -1.732 123 2HB GLU 16 2HB GLU 16 -4.489 9.490 0.020 124 1HG GLU 16 1HG GLU 16 -3.488 11.798 -0.252 125 2HG GLU 16 2HG GLU 16 -3.703 11.629 -1.989 126 H GLY 17 H GLY 17 -0.623 11.034 -0.760 127 1HA GLY 17 1HA GLY 17 0.232 10.466 1.903 128 2HA GLY 17 2HA GLY 17 0.833 11.758 0.889 129 H MET 18 H MET 18 -2.530 11.587 1.427 130 HA MET 18 HA MET 18 -4.071 12.998 2.391 131 1HB MET 18 1HB MET 18 -3.036 11.708 4.323 132 2HB MET 18 2HB MET 18 -1.962 13.062 4.562 133 1HG MET 18 1HG MET 18 -3.722 14.506 5.250 134 2HG MET 18 2HG MET 18 -4.954 13.414 4.667 135 1HE MET 18 1HE MET 18 -2.222 12.367 8.171 136 2HE MET 18 2HE MET 18 -2.136 13.967 7.425 137 3HE MET 18 3HE MET 18 -1.762 12.501 6.500 138 H THR 19 H THR 19 -1.722 14.124 0.871 139 HA THR 19 HA THR 19 -0.688 16.123 0.314 140 HB THR 19 HB THR 19 -3.023 16.308 -0.651 141 HG1 THR 19 HG1 THR 19 -2.795 18.489 -0.977 142 1HG2 THR 19 1HG2 THR 19 -4.653 17.836 0.409 143 2HG2 THR 19 2HG2 THR 19 -3.613 18.068 1.801 144 3HG2 THR 19 3HG2 THR 19 -4.375 16.511 1.513 145 H CYS 20 H CYS 20 -0.691 15.503 3.192 146 HA CYS 20 HA CYS 20 0.712 17.716 4.243 147 1HB CYS 20 1HB CYS 20 -1.527 18.819 4.363 148 2HB CYS 20 2HB CYS 20 -2.165 17.451 5.225 149 H HIS 21 H HIS 21 1.978 16.786 5.689 150 HA HIS 21 HA HIS 21 2.894 15.315 7.208 151 1HB HIS 21 1HB HIS 21 1.106 16.153 8.696 152 2HB HIS 21 2HB HIS 21 -0.033 14.978 8.060 153 HD1 HIS 21 HD1 HIS 21 3.363 14.790 9.687 154 HD2 HIS 21 HD2 HIS 21 -0.155 12.725 9.592 155 HE1 HIS 21 HE1 HIS 21 3.624 12.904 11.257 156 H SER 22 H SER 22 3.168 13.129 7.850 157 HA SER 22 HA SER 22 1.872 11.057 6.159 158 1HB SER 22 1HB SER 22 4.155 10.088 5.671 159 2HB SER 22 2HB SER 22 3.906 11.673 4.930 160 HG SER 22 HG SER 22 4.741 12.139 7.371 161 H CYS 23 H CYS 23 0.814 10.439 8.047 162 HA CYS 23 HA CYS 23 2.260 9.547 10.424 163 1HB CYS 23 1HB CYS 23 -0.054 10.454 10.509 164 2HB CYS 23 2HB CYS 23 -0.611 9.133 9.525 165 H THR 24 H THR 24 2.377 8.406 7.512 166 HA THR 24 HA THR 24 1.618 5.707 7.494 167 HB THR 24 HB THR 24 3.252 5.557 5.546 168 HG1 THR 24 HG1 THR 24 3.894 8.116 6.607 169 1HG2 THR 24 1HG2 THR 24 1.010 6.828 5.189 170 2HG2 THR 24 2HG2 THR 24 2.310 7.459 4.196 171 3HG2 THR 24 3HG2 THR 24 1.839 8.304 5.653 172 H SER 25 H SER 25 4.003 7.092 9.391 173 HA SER 25 HA SER 25 6.098 5.192 9.401 174 1HB SER 25 1HB SER 25 6.480 6.025 11.788 175 2HB SER 25 2HB SER 25 6.201 7.362 10.661 176 HG SER 25 HG SER 25 4.259 6.061 12.270 177 H THR 26 H THR 26 2.947 5.144 10.822 178 HA THR 26 HA THR 26 3.255 2.865 12.525 179 HB THR 26 HB THR 26 0.688 2.920 12.539 180 HG1 THR 26 HG1 THR 26 0.539 3.476 10.336 181 1HG2 THR 26 1HG2 THR 26 1.912 5.744 12.545 182 2HG2 THR 26 2HG2 THR 26 1.974 4.668 13.931 183 3HG2 THR 26 3HG2 THR 26 0.428 5.254 13.344 184 H ILE 27 H ILE 27 2.187 3.320 9.234 185 HA ILE 27 HA ILE 27 1.177 0.796 8.558 186 HB ILE 27 HB ILE 27 2.820 2.678 6.788 187 1HG1 ILE 27 1HG1 ILE 27 -0.193 2.505 7.298 188 2HG1 ILE 27 2HG1 ILE 27 0.839 3.763 7.931 189 1HG2 ILE 27 1HG2 ILE 27 2.540 0.437 5.773 190 2HG2 ILE 27 2HG2 ILE 27 1.629 1.642 4.901 191 3HG2 ILE 27 3HG2 ILE 27 0.800 0.558 6.003 192 1HD1 ILE 27 1HD1 ILE 27 1.411 4.442 5.584 193 2HD1 ILE 27 2HD1 ILE 27 -0.296 4.591 5.933 194 3HD1 ILE 27 3HD1 ILE 27 0.287 3.247 4.973 195 H GLU 28 H GLU 28 4.498 1.807 8.950 196 HA GLU 28 HA GLU 28 5.880 -0.206 7.640 197 1HB GLU 28 1HB GLU 28 6.749 1.912 8.779 198 2HB GLU 28 2HB GLU 28 6.635 1.079 10.304 199 1HG GLU 28 1HG GLU 28 8.128 -0.704 9.446 200 2HG GLU 28 2HG GLU 28 8.282 0.193 7.934 201 H GLY 29 H GLY 29 5.520 -0.143 11.127 202 1HA GLY 29 1HA GLY 29 5.960 -2.991 11.445 203 2HA GLY 29 2HA GLY 29 5.506 -1.871 12.716 204 H LYS 30 H LYS 30 3.152 -1.219 10.726 205 HA LYS 30 HA LYS 30 1.227 -2.961 12.057 206 1HB LYS 30 1HB LYS 30 0.731 -0.589 11.579 207 2HB LYS 30 2HB LYS 30 0.923 -0.875 9.862 208 1HG LYS 30 1HG LYS 30 -1.030 -2.443 9.924 209 2HG LYS 30 2HG LYS 30 -1.216 -2.115 11.641 210 1HD LYS 30 1HD LYS 30 -1.572 0.303 11.145 211 2HD LYS 30 2HD LYS 30 -1.346 -0.008 9.431 212 1HE LYS 30 1HE LYS 30 -3.317 -1.522 9.450 213 2HE LYS 30 2HE LYS 30 -3.562 -1.192 11.159 214 1HZ LYS 30 1HZ LYS 30 -3.948 0.568 8.849 215 2HZ LYS 30 2HZ LYS 30 -3.569 1.253 10.356 216 3HZ LYS 30 3HZ LYS 30 -4.961 0.295 10.185 217 H ILE 31 H ILE 31 2.157 -2.341 8.743 218 HA ILE 31 HA ILE 31 0.735 -4.552 7.606 219 HB ILE 31 HB ILE 31 2.965 -2.822 6.483 220 1HG1 ILE 31 1HG1 ILE 31 0.997 -1.466 7.106 221 2HG1 ILE 31 2HG1 ILE 31 1.137 -1.558 5.366 222 1HG2 ILE 31 1HG2 ILE 31 2.165 -3.486 4.264 223 2HG2 ILE 31 2HG2 ILE 31 1.022 -4.614 4.982 224 3HG2 ILE 31 3HG2 ILE 31 2.744 -4.883 5.146 225 1HD1 ILE 31 1HD1 ILE 31 -0.784 -3.174 7.091 226 2HD1 ILE 31 2HD1 ILE 31 -0.656 -3.315 5.341 227 3HD1 ILE 31 3HD1 ILE 31 -1.203 -1.818 6.068 228 H GLY 32 H GLY 32 3.974 -4.170 8.836 229 1HA GLY 32 1HA GLY 32 5.062 -6.541 7.646 230 2HA GLY 32 2HA GLY 32 5.801 -5.599 8.926 231 H LYS 33 H LYS 33 3.042 -5.945 10.247 232 HA LYS 33 HA LYS 33 3.721 -8.333 11.782 233 1HB LYS 33 1HB LYS 33 3.418 -6.206 12.872 234 2HB LYS 33 2HB LYS 33 1.762 -6.163 12.282 235 1HG LYS 33 1HG LYS 33 1.101 -7.980 13.690 236 2HG LYS 33 2HG LYS 33 2.757 -8.494 13.951 237 1HD LYS 33 1HD LYS 33 2.007 -7.442 15.952 238 2HD LYS 33 2HD LYS 33 3.157 -6.361 15.192 239 1HE LYS 33 1HE LYS 33 0.132 -6.047 14.891 240 2HE LYS 33 2HE LYS 33 1.077 -5.188 16.095 241 1HZ LYS 33 1HZ LYS 33 2.449 -4.637 13.884 242 2HZ LYS 33 2HZ LYS 33 1.208 -3.660 14.504 243 3HZ LYS 33 3HZ LYS 33 0.879 -4.754 13.250 244 H LEU 34 H LEU 34 1.856 -7.766 9.124 245 HA LEU 34 HA LEU 34 -0.560 -9.045 9.820 246 1HB LEU 34 1HB LEU 34 0.735 -8.508 7.159 247 2HB LEU 34 2HB LEU 34 -0.934 -8.988 7.365 248 HG LEU 34 HG LEU 34 0.354 -6.437 8.409 249 1HD1 LEU 34 1HD1 LEU 34 -1.743 -6.921 6.250 250 2HD1 LEU 34 2HD1 LEU 34 -0.067 -6.489 5.946 251 3HD1 LEU 34 3HD1 LEU 34 -1.143 -5.348 6.728 252 1HD2 LEU 34 1HD2 LEU 34 -1.904 -5.741 9.091 253 2HD2 LEU 34 2HD2 LEU 34 -1.430 -7.173 9.971 254 3HD2 LEU 34 3HD2 LEU 34 -2.556 -7.307 8.628 255 H GLN 35 H GLN 35 -1.051 -11.081 9.973 256 HA GLN 35 HA GLN 35 0.874 -13.157 9.323 257 1HB GLN 35 1HB GLN 35 -1.920 -13.302 10.525 258 2HB GLN 35 2HB GLN 35 -0.824 -14.667 10.391 259 1HG GLN 35 1HG GLN 35 0.846 -13.468 11.808 260 2HG GLN 35 2HG GLN 35 -0.263 -12.109 11.960 261 1HE2 GLN 35 1HE2 GLN 35 0.474 -15.307 13.118 262 2HE2 GLN 35 2HE2 GLN 35 -0.796 -15.414 14.240 263 H GLY 36 H GLY 36 0.588 -14.759 7.808 264 1HA GLY 36 1HA GLY 36 -0.309 -15.910 6.004 265 2HA GLY 36 2HA GLY 36 -1.785 -14.965 6.160 266 H VAL 37 H VAL 37 0.969 -13.062 6.090 267 HA VAL 37 HA VAL 37 0.459 -12.193 3.330 268 HB VAL 37 HB VAL 37 1.889 -10.916 5.746 269 1HG1 VAL 37 1HG1 VAL 37 3.219 -10.415 3.661 270 2HG1 VAL 37 2HG1 VAL 37 2.401 -9.002 4.300 271 3HG1 VAL 37 3HG1 VAL 37 1.744 -9.836 2.896 272 1HG2 VAL 37 1HG2 VAL 37 0.147 -9.218 5.318 273 2HG2 VAL 37 2HG2 VAL 37 -0.562 -10.808 5.592 274 3HG2 VAL 37 3HG2 VAL 37 -0.449 -10.154 3.968 275 H GLN 38 H GLN 38 2.054 -12.152 1.778 276 HA GLN 38 HA GLN 38 4.277 -14.063 2.230 277 1HB GLN 38 1HB GLN 38 3.199 -12.860 -0.400 278 2HB GLN 38 2HB GLN 38 4.377 -14.146 -0.265 279 1HG GLN 38 1HG GLN 38 1.449 -14.233 0.591 280 2HG GLN 38 2HG GLN 38 2.151 -15.043 -0.794 281 1HE2 GLN 38 1HE2 GLN 38 1.942 -15.048 2.706 282 2HE2 GLN 38 2HE2 GLN 38 2.570 -16.610 2.943 283 H ARG 39 H ARG 39 4.102 -11.404 0.030 284 HA ARG 39 HA ARG 39 6.686 -10.337 1.049 285 1HB ARG 39 1HB ARG 39 6.360 -10.940 -1.442 286 2HB ARG 39 2HB ARG 39 5.260 -9.584 -1.530 287 1HG ARG 39 1HG ARG 39 7.496 -8.994 -2.362 288 2HG ARG 39 2HG ARG 39 6.977 -7.969 -1.049 289 1HD ARG 39 1HD ARG 39 9.375 -8.703 -0.843 290 2HD ARG 39 2HD ARG 39 8.424 -9.246 0.530 291 HE ARG 39 HE ARG 39 8.481 -11.208 -1.615 292 1HH1 ARG 39 1HH1 ARG 39 10.219 -9.905 1.086 293 2HH1 ARG 39 2HH1 ARG 39 11.114 -11.361 1.358 294 1HH2 ARG 39 1HH2 ARG 39 9.603 -13.063 -1.288 295 2HH2 ARG 39 2HH2 ARG 39 10.761 -13.176 -0.004 296 H ILE 40 H ILE 40 6.972 -8.020 0.949 297 HA ILE 40 HA ILE 40 4.671 -6.266 1.339 298 HB ILE 40 HB ILE 40 4.934 -7.199 3.581 299 1HG1 ILE 40 1HG1 ILE 40 6.207 -4.428 3.407 300 2HG1 ILE 40 2HG1 ILE 40 4.493 -4.768 3.405 301 1HG2 ILE 40 1HG2 ILE 40 7.913 -6.512 3.507 302 2HG2 ILE 40 2HG2 ILE 40 7.220 -8.121 3.412 303 3HG2 ILE 40 3HG2 ILE 40 7.043 -7.174 4.868 304 1HD1 ILE 40 1HD1 ILE 40 5.207 -4.053 5.648 305 2HD1 ILE 40 2HD1 ILE 40 6.393 -5.341 5.722 306 3HD1 ILE 40 3HD1 ILE 40 4.679 -5.728 5.691 307 H LYS 41 H LYS 41 5.299 -4.833 -0.187 308 HA LYS 41 HA LYS 41 7.926 -3.522 0.107 309 1HB LYS 41 1HB LYS 41 8.315 -3.853 -2.410 310 2HB LYS 41 2HB LYS 41 8.515 -5.277 -1.410 311 1HG LYS 41 1HG LYS 41 6.145 -5.964 -1.990 312 2HG LYS 41 2HG LYS 41 6.057 -4.602 -3.094 313 1HD LYS 41 1HD LYS 41 7.952 -5.494 -4.376 314 2HD LYS 41 2HD LYS 41 8.092 -6.840 -3.254 315 1HE LYS 41 1HE LYS 41 5.758 -7.547 -3.835 316 2HE LYS 41 2HE LYS 41 5.659 -6.224 -4.990 317 1HZ LYS 41 1HZ LYS 41 7.545 -7.176 -6.166 318 2HZ LYS 41 2HZ LYS 41 6.237 -8.256 -6.084 319 3HZ LYS 41 3HZ LYS 41 7.581 -8.473 -5.069 320 H VAL 42 H VAL 42 7.318 -1.562 0.410 321 HA VAL 42 HA VAL 42 5.103 -0.367 -1.153 322 HB VAL 42 HB VAL 42 6.658 0.699 1.257 323 1HG1 VAL 42 1HG1 VAL 42 4.800 2.330 1.444 324 2HG1 VAL 42 2HG1 VAL 42 4.072 1.696 -0.024 325 3HG1 VAL 42 3HG1 VAL 42 5.624 2.516 -0.092 326 1HG2 VAL 42 1HG2 VAL 42 4.622 0.102 2.561 327 2HG2 VAL 42 2HG2 VAL 42 5.317 -1.326 1.820 328 3HG2 VAL 42 3HG2 VAL 42 3.889 -0.584 1.122 329 H SER 43 H SER 43 5.383 1.248 -2.536 330 HA SER 43 HA SER 43 8.189 1.882 -3.368 331 1HB SER 43 1HB SER 43 6.598 0.922 -5.092 332 2HB SER 43 2HB SER 43 5.583 2.352 -4.870 333 HG SER 43 HG SER 43 8.283 2.823 -5.245 334 H LEU 44 H LEU 44 8.432 4.103 -4.293 335 HA LEU 44 HA LEU 44 7.780 6.074 -2.235 336 1HB LEU 44 1HB LEU 44 9.221 6.255 -4.942 337 2HB LEU 44 2HB LEU 44 9.035 7.634 -3.880 338 HG LEU 44 HG LEU 44 10.288 6.394 -2.085 339 1HD1 LEU 44 1HD1 LEU 44 10.856 4.359 -4.287 340 2HD1 LEU 44 2HD1 LEU 44 9.957 4.036 -2.810 341 3HD1 LEU 44 3HD1 LEU 44 11.656 4.419 -2.725 342 1HD2 LEU 44 1HD2 LEU 44 11.431 8.016 -3.555 343 2HD2 LEU 44 2HD2 LEU 44 11.749 6.752 -4.734 344 3HD2 LEU 44 3HD2 LEU 44 12.514 6.696 -3.154 345 H ASP 45 H ASP 45 7.575 7.666 -5.205 346 HA ASP 45 HA ASP 45 5.792 8.986 -5.989 347 1HB ASP 45 1HB ASP 45 4.051 7.480 -7.077 348 2HB ASP 45 2HB ASP 45 5.684 6.949 -7.382 349 H ASN 46 H ASN 46 2.945 7.631 -5.527 350 HA ASN 46 HA ASN 46 2.393 9.144 -3.023 351 1HB ASN 46 1HB ASN 46 0.411 7.753 -4.914 352 2HB ASN 46 2HB ASN 46 0.058 8.979 -3.705 353 1HD2 ASN 46 1HD2 ASN 46 0.085 11.119 -4.360 354 2HD2 ASN 46 2HD2 ASN 46 0.687 11.662 -5.852 355 H GLN 47 H GLN 47 3.951 7.180 -2.414 356 HA GLN 47 HA GLN 47 4.328 5.139 -1.451 357 1HB GLN 47 1HB GLN 47 3.251 6.666 0.216 358 2HB GLN 47 2HB GLN 47 1.717 5.925 -0.165 359 1HG GLN 47 1HG GLN 47 2.472 3.743 0.690 360 2HG GLN 47 2HG GLN 47 4.128 4.333 0.804 361 1HE2 GLN 47 1HE2 GLN 47 4.607 5.954 2.440 362 2HE2 GLN 47 2HE2 GLN 47 3.634 6.100 3.820 363 H GLU 48 H GLU 48 3.806 4.104 -3.661 364 HA GLU 48 HA GLU 48 1.229 2.737 -3.786 365 1HB GLU 48 1HB GLU 48 2.386 3.425 -5.875 366 2HB GLU 48 2HB GLU 48 3.712 2.334 -5.525 367 1HG GLU 48 1HG GLU 48 2.076 0.410 -5.586 368 2HG GLU 48 2HG GLU 48 0.787 1.547 -5.942 369 H ALA 49 H ALA 49 1.122 1.590 -1.959 370 HA ALA 49 HA ALA 49 3.163 -0.229 -1.063 371 1HB ALA 49 1HB ALA 49 1.458 0.768 0.447 372 2HB ALA 49 2HB ALA 49 1.377 -0.980 0.522 373 3HB ALA 49 3HB ALA 49 0.185 -0.090 -0.412 374 H THR 50 H THR 50 3.540 -2.278 -1.743 375 HA THR 50 HA THR 50 1.446 -3.651 -3.368 376 HB THR 50 HB THR 50 4.450 -3.433 -3.989 377 HG1 THR 50 HG1 THR 50 3.124 -1.610 -4.378 378 1HG2 THR 50 1HG2 THR 50 3.303 -5.638 -4.823 379 2HG2 THR 50 2HG2 THR 50 3.829 -4.580 -6.120 380 3HG2 THR 50 3HG2 THR 50 2.143 -4.628 -5.652 381 H ILE 51 H ILE 51 1.134 -4.376 -1.143 382 HA ILE 51 HA ILE 51 3.025 -6.315 -0.025 383 HB ILE 51 HB ILE 51 0.166 -5.557 0.750 384 1HG1 ILE 51 1HG1 ILE 51 1.135 -4.505 2.698 385 2HG1 ILE 51 2HG1 ILE 51 2.754 -5.007 2.253 386 1HG2 ILE 51 1HG2 ILE 51 2.145 -7.339 2.213 387 2HG2 ILE 51 2HG2 ILE 51 0.661 -7.891 1.444 388 3HG2 ILE 51 3HG2 ILE 51 0.589 -6.824 2.837 389 1HD1 ILE 51 1HD1 ILE 51 1.010 -3.084 0.710 390 2HD1 ILE 51 2HD1 ILE 51 2.675 -3.510 0.300 391 3HD1 ILE 51 3HD1 ILE 51 2.339 -2.642 1.781 392 H VAL 52 H VAL 52 3.054 -8.431 -0.585 393 HA VAL 52 HA VAL 52 0.885 -9.481 -2.288 394 HB VAL 52 HB VAL 52 3.607 -10.659 -1.596 395 1HG1 VAL 52 1HG1 VAL 52 1.939 -12.360 -2.188 396 2HG1 VAL 52 2HG1 VAL 52 3.162 -12.205 -3.434 397 3HG1 VAL 52 3HG1 VAL 52 1.565 -11.499 -3.672 398 1HG2 VAL 52 1HG2 VAL 52 4.226 -9.976 -3.916 399 2HG2 VAL 52 2HG2 VAL 52 3.778 -8.571 -2.955 400 3HG2 VAL 52 3HG2 VAL 52 2.644 -9.238 -4.112 401 H TYR 53 H TYR 53 -0.426 -10.959 -1.437 402 HA TYR 53 HA TYR 53 0.361 -12.379 1.006 403 1HB TYR 53 1HB TYR 53 -1.532 -11.564 2.360 404 2HB TYR 53 2HB TYR 53 -0.459 -10.254 1.902 405 HD1 TYR 53 HD1 TYR 53 -1.220 -8.553 0.266 406 HD2 TYR 53 HD2 TYR 53 -3.787 -11.712 1.504 407 HE1 TYR 53 HE1 TYR 53 -3.153 -7.339 -0.614 408 HE2 TYR 53 HE2 TYR 53 -5.714 -10.493 0.615 409 HH TYR 53 HH TYR 53 -5.921 -7.510 0.116 410 H GLN 54 H GLN 54 -1.416 -13.696 1.902 411 HA GLN 54 HA GLN 54 -2.651 -15.265 -0.270 412 1HB GLN 54 1HB GLN 54 -2.466 -15.784 2.719 413 2HB GLN 54 2HB GLN 54 -3.016 -16.935 1.514 414 1HG GLN 54 1HG GLN 54 -0.816 -17.032 0.479 415 2HG GLN 54 2HG GLN 54 -0.236 -15.675 1.434 416 1HE2 GLN 54 1HE2 GLN 54 0.375 -16.036 3.599 417 2HE2 GLN 54 2HE2 GLN 54 0.476 -17.574 4.299 418 HA PRO 55 HA PRO 55 -6.210 -12.650 0.552 419 1HB PRO 55 1HB PRO 55 -8.018 -13.964 -1.142 420 2HB PRO 55 2HB PRO 55 -6.907 -12.682 -1.607 421 1HG PRO 55 1HG PRO 55 -6.684 -15.614 -2.058 422 2HG PRO 55 2HG PRO 55 -6.024 -14.294 -3.011 423 1HD PRO 55 1HD PRO 55 -4.525 -15.890 -1.269 424 2HD PRO 55 2HD PRO 55 -4.048 -14.264 -1.799 425 H HIS 56 H HIS 56 -6.846 -16.089 0.295 426 HA HIS 56 HA HIS 56 -9.156 -16.259 1.926 427 1HB HIS 56 1HB HIS 56 -8.537 -18.715 2.049 428 2HB HIS 56 2HB HIS 56 -8.536 -18.060 0.418 429 HD1 HIS 56 HD1 HIS 56 -6.373 -18.413 -0.790 430 HD2 HIS 56 HD2 HIS 56 -5.781 -18.711 3.233 431 HE1 HIS 56 HE1 HIS 56 -4.017 -19.081 -0.486 432 H LEU 57 H LEU 57 -5.837 -16.091 2.793 433 HA LEU 57 HA LEU 57 -6.284 -16.918 5.553 434 1HB LEU 57 1HB LEU 57 -4.173 -17.027 3.741 435 2HB LEU 57 2HB LEU 57 -3.687 -15.722 4.774 436 HG LEU 57 HG LEU 57 -3.703 -17.112 6.770 437 1HD1 LEU 57 1HD1 LEU 57 -4.653 -19.403 4.966 438 2HD1 LEU 57 2HD1 LEU 57 -5.648 -18.660 6.207 439 3HD1 LEU 57 3HD1 LEU 57 -4.212 -19.542 6.658 440 1HD2 LEU 57 1HD2 LEU 57 -1.729 -17.205 5.242 441 2HD2 LEU 57 2HD2 LEU 57 -2.448 -18.561 4.398 442 3HD2 LEU 57 3HD2 LEU 57 -1.945 -18.737 6.073 443 H ILE 58 H ILE 58 -5.658 -14.048 3.752 444 HA ILE 58 HA ILE 58 -6.726 -12.354 5.833 445 HB ILE 58 HB ILE 58 -4.466 -12.691 6.704 446 1HG1 ILE 58 1HG1 ILE 58 -4.637 -9.868 5.551 447 2HG1 ILE 58 2HG1 ILE 58 -5.595 -10.412 6.915 448 1HG2 ILE 58 1HG2 ILE 58 -2.458 -11.940 5.358 449 2HG2 ILE 58 2HG2 ILE 58 -3.513 -11.553 4.017 450 3HG2 ILE 58 3HG2 ILE 58 -3.325 -13.217 4.538 451 1HD1 ILE 58 1HD1 ILE 58 -3.503 -10.895 8.159 452 2HD1 ILE 58 2HD1 ILE 58 -3.590 -9.215 7.653 453 3HD1 ILE 58 3HD1 ILE 58 -2.559 -10.338 6.781 454 H SER 59 H SER 59 -6.775 -10.090 5.243 455 HA SER 59 HA SER 59 -6.531 -9.501 2.326 456 1HB SER 59 1HB SER 59 -8.874 -8.792 4.136 457 2HB SER 59 2HB SER 59 -8.665 -8.307 2.440 458 HG SER 59 HG SER 59 -8.679 -10.974 3.414 459 H VAL 60 H VAL 60 -4.947 -8.157 2.352 460 HA VAL 60 HA VAL 60 -4.391 -6.311 4.487 461 HB VAL 60 HB VAL 60 -3.209 -6.579 1.702 462 1HG1 VAL 60 1HG1 VAL 60 -1.215 -5.387 2.651 463 2HG1 VAL 60 2HG1 VAL 60 -2.068 -5.165 4.167 464 3HG1 VAL 60 3HG1 VAL 60 -2.629 -4.362 2.710 465 1HG2 VAL 60 1HG2 VAL 60 -2.272 -7.721 4.378 466 2HG2 VAL 60 2HG2 VAL 60 -1.403 -7.876 2.863 467 3HG2 VAL 60 3HG2 VAL 60 -2.963 -8.646 3.065 468 H GLU 61 H GLU 61 -6.367 -6.270 1.735 469 HA GLU 61 HA GLU 61 -6.296 -3.493 1.105 470 1HB GLU 61 1HB GLU 61 -7.188 -5.303 -0.400 471 2HB GLU 61 2HB GLU 61 -8.528 -5.546 0.709 472 1HG GLU 61 1HG GLU 61 -9.307 -3.261 0.344 473 2HG GLU 61 2HG GLU 61 -7.887 -2.895 -0.630 474 H GLU 62 H GLU 62 -8.003 -5.467 3.427 475 HA GLU 62 HA GLU 62 -9.898 -3.468 4.306 476 1HB GLU 62 1HB GLU 62 -10.097 -5.966 4.625 477 2HB GLU 62 2HB GLU 62 -8.746 -5.917 5.724 478 1HG GLU 62 1HG GLU 62 -11.413 -4.474 6.148 479 2HG GLU 62 2HG GLU 62 -10.929 -5.945 6.964 480 H MET 63 H MET 63 -6.748 -4.694 5.325 481 HA MET 63 HA MET 63 -6.298 -3.094 7.543 482 1HB MET 63 1HB MET 63 -5.031 -5.143 6.615 483 2HB MET 63 2HB MET 63 -4.217 -3.965 5.606 484 1HG MET 63 1HG MET 63 -2.789 -4.176 7.377 485 2HG MET 63 2HG MET 63 -3.662 -2.719 7.751 486 1HE MET 63 1HE MET 63 -5.453 -3.266 10.879 487 2HE MET 63 2HE MET 63 -6.417 -3.867 9.520 488 3HE MET 63 3HE MET 63 -5.381 -2.439 9.344 489 H LYS 64 H LYS 64 -5.994 -2.499 4.116 490 HA LYS 64 HA LYS 64 -4.557 -0.044 4.332 491 1HB LYS 64 1HB LYS 64 -4.538 -1.678 2.358 492 2HB LYS 64 2HB LYS 64 -6.196 -1.246 2.063 493 1HG LYS 64 1HG LYS 64 -4.789 -0.028 0.583 494 2HG LYS 64 2HG LYS 64 -5.637 1.046 1.676 495 1HD LYS 64 1HD LYS 64 -3.383 1.873 1.504 496 2HD LYS 64 2HD LYS 64 -3.553 1.187 3.096 497 1HE LYS 64 1HE LYS 64 -2.294 -0.307 0.758 498 2HE LYS 64 2HE LYS 64 -1.376 0.595 1.949 499 1HZ LYS 64 1HZ LYS 64 -2.678 -1.969 2.189 500 2HZ LYS 64 2HZ LYS 64 -2.861 -0.941 3.528 501 3HZ LYS 64 3HZ LYS 64 -1.308 -1.354 2.981 502 H LYS 65 H LYS 65 -7.966 -1.005 4.290 503 HA LYS 65 HA LYS 65 -9.061 1.505 3.642 504 1HB LYS 65 1HB LYS 65 -10.329 -0.639 3.723 505 2HB LYS 65 2HB LYS 65 -10.116 -0.702 5.455 506 1HG LYS 65 1HG LYS 65 -12.348 0.139 4.980 507 2HG LYS 65 2HG LYS 65 -11.403 1.408 5.725 508 1HD LYS 65 1HD LYS 65 -10.934 2.311 3.354 509 2HD LYS 65 2HD LYS 65 -12.059 1.103 2.755 510 1HE LYS 65 1HE LYS 65 -13.206 3.265 3.062 511 2HE LYS 65 2HE LYS 65 -13.840 2.107 4.222 512 1HZ LYS 65 1HZ LYS 65 -13.143 4.453 4.988 513 2HZ LYS 65 2HZ LYS 65 -11.569 3.813 4.968 514 3HZ LYS 65 3HZ LYS 65 -12.759 3.108 5.953 515 H GLN 66 H GLN 66 -7.751 0.259 6.606 516 HA GLN 66 HA GLN 66 -8.746 2.296 8.325 517 1HB GLN 66 1HB GLN 66 -6.344 0.417 8.563 518 2HB GLN 66 2HB GLN 66 -7.017 1.349 9.886 519 1HG GLN 66 1HG GLN 66 -9.237 0.194 9.533 520 2HG GLN 66 2HG GLN 66 -8.500 -0.784 8.276 521 1HE2 GLN 66 1HE2 GLN 66 -9.090 -2.669 9.603 522 2HE2 GLN 66 2HE2 GLN 66 -8.115 -3.112 10.918 523 H ILE 67 H ILE 67 -5.874 1.825 6.397 524 HA ILE 67 HA ILE 67 -4.395 4.121 7.264 525 HB ILE 67 HB ILE 67 -4.398 2.433 4.753 526 1HG1 ILE 67 1HG1 ILE 67 -2.634 2.521 7.238 527 2HG1 ILE 67 2HG1 ILE 67 -3.840 1.312 6.916 528 1HG2 ILE 67 1HG2 ILE 67 -2.355 4.532 5.577 529 2HG2 ILE 67 2HG2 ILE 67 -3.408 4.598 4.175 530 3HG2 ILE 67 3HG2 ILE 67 -2.139 3.404 4.244 531 1HD1 ILE 67 1HD1 ILE 67 -1.609 0.424 6.403 532 2HD1 ILE 67 2HD1 ILE 67 -1.329 1.699 5.236 533 3HD1 ILE 67 3HD1 ILE 67 -2.576 0.501 4.944 534 H GLU 68 H GLU 68 -6.892 3.481 5.025 535 HA GLU 68 HA GLU 68 -6.867 6.112 3.724 536 1HB GLU 68 1HB GLU 68 -8.821 3.813 3.642 537 2HB GLU 68 2HB GLU 68 -8.927 5.244 2.647 538 1HG GLU 68 1HG GLU 68 -6.765 4.693 1.593 539 2HG GLU 68 2HG GLU 68 -6.512 3.355 2.657 540 H ALA 69 H ALA 69 -8.298 4.655 6.442 541 HA ALA 69 HA ALA 69 -10.520 6.521 6.691 542 1HB ALA 69 1HB ALA 69 -10.635 4.236 7.647 543 2HB ALA 69 2HB ALA 69 -10.824 5.447 8.907 544 3HB ALA 69 3HB ALA 69 -9.292 4.610 8.719 545 H MET 70 H MET 70 -7.258 6.169 7.995 546 HA MET 70 HA MET 70 -7.472 8.319 9.831 547 1HB MET 70 1HB MET 70 -5.029 7.955 10.046 548 2HB MET 70 2HB MET 70 -5.937 6.464 10.156 549 1HG MET 70 1HG MET 70 -5.408 5.923 7.899 550 2HG MET 70 2HG MET 70 -4.526 7.408 7.667 551 1HE MET 70 1HE MET 70 -2.217 7.883 8.393 552 2HE MET 70 2HE MET 70 -2.022 6.732 7.048 553 3HE MET 70 3HE MET 70 -1.048 6.590 8.505 554 H GLY 71 H GLY 71 -7.129 8.200 6.465 555 1HA GLY 71 1HA GLY 71 -7.460 10.518 5.509 556 2HA GLY 71 2HA GLY 71 -6.043 10.985 6.418 557 H PHE 72 H PHE 72 -5.643 7.913 4.979 558 HA PHE 72 HA PHE 72 -4.193 9.183 2.687 559 1HB PHE 72 1HB PHE 72 -3.423 6.691 4.292 560 2HB PHE 72 2HB PHE 72 -2.636 7.232 2.848 561 HD1 PHE 72 HD1 PHE 72 -3.690 8.645 6.163 562 HD2 PHE 72 HD2 PHE 72 -0.732 8.573 3.095 563 HE1 PHE 72 HE1 PHE 72 -2.296 10.148 7.468 564 HE2 PHE 72 HE2 PHE 72 0.659 10.086 4.400 565 HZ PHE 72 HZ PHE 72 -0.125 10.889 6.603 566 HA PRO 73 HA PRO 73 -7.619 6.457 0.972 567 1HB PRO 73 1HB PRO 73 -7.408 8.384 -1.214 568 2HB PRO 73 2HB PRO 73 -8.818 7.794 -0.343 569 1HG PRO 73 1HG PRO 73 -7.627 10.333 0.006 570 2HG PRO 73 2HG PRO 73 -8.800 9.596 1.079 571 1HD PRO 73 1HD PRO 73 -5.952 10.029 1.586 572 2HD PRO 73 2HD PRO 73 -7.201 9.427 2.693 573 H ALA 74 H ALA 74 -7.073 4.868 -0.190 574 HA ALA 74 HA ALA 74 -4.588 4.911 -1.854 575 1HB ALA 74 1HB ALA 74 -5.896 2.568 -0.392 576 2HB ALA 74 2HB ALA 74 -4.470 3.439 0.150 577 3HB ALA 74 3HB ALA 74 -4.404 2.494 -1.327 578 H PHE 75 H PHE 75 -4.862 4.806 -3.768 579 HA PHE 75 HA PHE 75 -7.391 4.583 -5.116 580 1HB PHE 75 1HB PHE 75 -4.670 4.358 -6.448 581 2HB PHE 75 2HB PHE 75 -6.146 5.001 -7.136 582 HD1 PHE 75 HD1 PHE 75 -3.335 6.333 -6.810 583 HD2 PHE 75 HD2 PHE 75 -6.951 6.681 -4.575 584 HE1 PHE 75 HE1 PHE 75 -2.666 8.567 -6.063 585 HE2 PHE 75 HE2 PHE 75 -6.274 8.908 -3.836 586 HZ PHE 75 HZ PHE 75 -4.134 9.863 -4.574 587 H VAL 76 H VAL 76 -5.596 2.109 -3.891 588 HA VAL 76 HA VAL 76 -5.605 -0.191 -4.133 589 HB VAL 76 HB VAL 76 -8.168 0.438 -5.711 590 1HG1 VAL 76 1HG1 VAL 76 -7.574 -1.922 -6.063 591 2HG1 VAL 76 2HG1 VAL 76 -8.964 -1.796 -5.020 592 3HG1 VAL 76 3HG1 VAL 76 -7.390 -2.152 -4.327 593 1HG2 VAL 76 1HG2 VAL 76 -8.203 1.416 -3.446 594 2HG2 VAL 76 2HG2 VAL 76 -7.773 -0.135 -2.746 595 3HG2 VAL 76 3HG2 VAL 76 -9.324 0.078 -3.542 596 H LYS 77 H LYS 77 -5.725 -2.019 -5.892 597 HA LYS 77 HA LYS 77 -3.675 -1.595 -7.801 598 1HB LYS 77 1HB LYS 77 -4.457 -3.849 -8.728 599 2HB LYS 77 2HB LYS 77 -4.036 -3.823 -7.039 600 1HG LYS 77 1HG LYS 77 -6.940 -3.319 -7.606 601 2HG LYS 77 2HG LYS 77 -6.359 -4.908 -8.050 602 1HD LYS 77 1HD LYS 77 -5.559 -5.283 -5.759 603 2HD LYS 77 2HD LYS 77 -6.003 -3.665 -5.271 604 1HE LYS 77 1HE LYS 77 -7.724 -5.294 -4.577 605 2HE LYS 77 2HE LYS 77 -8.410 -4.243 -5.808 606 1HZ LYS 77 1HZ LYS 77 -7.162 -6.843 -6.448 607 2HZ LYS 77 2HZ LYS 77 -8.167 -5.890 -7.430 608 3HZ LYS 77 3HZ LYS 77 -8.811 -6.682 -6.073 609 H LYS 78 H LYS 78 -6.504 -2.974 -9.312 610 HA LYS 78 HA LYS 78 -6.237 -1.373 -11.624 611 1HB LYS 78 1HB LYS 78 -8.581 -3.042 -10.641 612 2HB LYS 78 2HB LYS 78 -8.422 -2.439 -12.282 613 1HG LYS 78 1HG LYS 78 -6.267 -3.691 -12.532 614 2HG LYS 78 2HG LYS 78 -6.441 -4.322 -10.908 615 1HD LYS 78 1HD LYS 78 -8.427 -4.813 -13.165 616 2HD LYS 78 2HD LYS 78 -7.176 -5.937 -12.680 617 1HE LYS 78 1HE LYS 78 -8.186 -6.055 -10.386 618 2HE LYS 78 2HE LYS 78 -9.478 -4.986 -10.916 619 1HZ LYS 78 1HZ LYS 78 -8.842 -7.633 -12.069 620 2HZ LYS 78 2HZ LYS 78 -10.070 -6.591 -12.607 621 3HZ LYS 78 3HZ LYS 78 -10.152 -7.266 -11.051 622 H GLN 79 H GLN 79 -7.873 0.081 -12.509 623 HA GLN 79 HA GLN 79 -8.452 2.268 -10.823 624 1HB GLN 79 1HB GLN 79 -8.254 2.430 -13.281 625 2HB GLN 79 2HB GLN 79 -9.745 1.527 -13.474 626 1HG GLN 79 1HG GLN 79 -10.996 3.338 -12.274 627 2HG GLN 79 2HG GLN 79 -9.495 4.230 -12.064 628 1HE2 GLN 79 1HE2 GLN 79 -11.871 3.147 -14.459 629 2HE2 GLN 79 2HE2 GLN 79 -11.359 4.192 -15.695 630 HA PRO 80 HA PRO 80 -12.094 0.486 -8.798 631 1HB PRO 80 1HB PRO 80 -12.759 3.026 -7.597 632 2HB PRO 80 2HB PRO 80 -12.019 1.629 -6.837 633 1HG PRO 80 1HG PRO 80 -10.765 4.123 -7.535 634 2HG PRO 80 2HG PRO 80 -10.033 2.735 -6.747 635 1HD PRO 80 1HD PRO 80 -9.656 3.634 -9.481 636 2HD PRO 80 2HD PRO 80 -8.875 2.268 -8.665 637 H LYS 81 H LYS 81 -13.701 0.121 -10.124 638 HA LYS 81 HA LYS 81 -14.701 1.941 -12.100 639 1HB LYS 81 1HB LYS 81 -16.408 0.193 -12.512 640 2HB LYS 81 2HB LYS 81 -14.810 -0.507 -12.360 641 1HG LYS 81 1HG LYS 81 -15.288 -1.111 -9.985 642 2HG LYS 81 2HG LYS 81 -16.890 -0.404 -10.125 643 1HD LYS 81 1HD LYS 81 -17.443 -2.019 -11.946 644 2HD LYS 81 2HD LYS 81 -15.854 -2.744 -11.782 645 1HE LYS 81 1HE LYS 81 -17.951 -2.615 -9.570 646 2HE LYS 81 2HE LYS 81 -17.568 -4.039 -10.525 647 1HZ LYS 81 1HZ LYS 81 -16.356 -4.273 -8.583 648 2HZ LYS 81 2HZ LYS 81 -15.870 -2.645 -8.563 649 3HZ LYS 81 3HZ LYS 81 -15.214 -3.711 -9.709 650 H TYR 82 H TYR 82 -15.259 1.901 -8.811 651 HA TYR 82 HA TYR 82 -18.021 2.481 -8.581 652 1HB TYR 82 1HB TYR 82 -16.556 2.010 -6.613 653 2HB TYR 82 2HB TYR 82 -15.727 3.542 -6.857 654 HD1 TYR 82 HD1 TYR 82 -18.958 1.984 -5.928 655 HD2 TYR 82 HD2 TYR 82 -16.814 5.652 -6.254 656 HE1 TYR 82 HE1 TYR 82 -20.715 3.128 -4.666 657 HE2 TYR 82 HE2 TYR 82 -18.576 6.791 -4.991 658 HH TYR 82 HH TYR 82 -21.155 6.332 -4.617 659 H LEU 83 H LEU 83 -19.192 4.228 -8.761 660 HA LEU 83 HA LEU 83 -18.265 6.942 -8.956 661 1HB LEU 83 1HB LEU 83 -18.889 7.295 -11.379 662 2HB LEU 83 2HB LEU 83 -17.494 6.270 -11.177 663 HG LEU 83 HG LEU 83 -19.287 4.284 -11.320 664 1HD1 LEU 83 1HD1 LEU 83 -21.332 5.746 -11.381 665 2HD1 LEU 83 2HD1 LEU 83 -21.162 4.810 -12.845 666 3HD1 LEU 83 3HD1 LEU 83 -20.722 6.506 -12.834 667 1HD2 LEU 83 1HD2 LEU 83 -17.453 4.663 -12.934 668 2HD2 LEU 83 2HD2 LEU 83 -18.409 5.888 -13.754 669 3HD2 LEU 83 3HD2 LEU 83 -18.926 4.209 -13.770 670 H LYS 84 H LYS 84 -20.646 4.524 -9.114 671 HA LYS 84 HA LYS 84 -22.948 6.345 -9.236 672 1HB LYS 84 1HB LYS 84 -22.957 4.163 -10.353 673 2HB LYS 84 2HB LYS 84 -22.740 3.324 -8.828 674 1HG LYS 84 1HG LYS 84 -24.923 4.341 -8.030 675 2HG LYS 84 2HG LYS 84 -25.139 5.040 -9.621 676 1HD LYS 84 1HD LYS 84 -24.904 2.051 -9.050 677 2HD LYS 84 2HD LYS 84 -26.413 2.898 -9.289 678 1HE LYS 84 1HE LYS 84 -25.896 1.868 -11.400 679 2HE LYS 84 2HE LYS 84 -25.540 3.571 -11.614 680 1HZ LYS 84 1HZ LYS 84 -23.863 1.498 -12.110 681 2HZ LYS 84 2HZ LYS 84 -23.290 2.115 -10.636 682 3HZ LYS 84 3HZ LYS 84 -23.425 3.134 -11.989 Start of MODEL 11 1 1H GLY 1 1H GLY 1 0.770 -21.551 -14.255 2 2H GLY 1 2H GLY 1 0.073 -20.389 -13.228 3 3H GLY 1 3H GLY 1 0.588 -21.882 -12.600 4 1HA GLY 1 1HA GLY 1 2.214 -19.598 -13.517 5 2HA GLY 1 2HA GLY 1 2.275 -20.450 -11.970 6 H SER 2 H SER 2 2.354 -23.008 -12.627 7 HA SER 2 HA SER 2 4.306 -23.637 -14.702 8 1HB SER 2 1HB SER 2 5.817 -22.776 -12.865 9 2HB SER 2 2HB SER 2 5.104 -23.946 -11.744 10 HG SER 2 HG SER 2 6.217 -24.642 -14.258 11 H MET 3 H MET 3 3.907 -25.635 -15.359 12 HA MET 3 HA MET 3 2.829 -27.689 -15.582 13 1HB MET 3 1HB MET 3 4.701 -28.121 -13.868 14 2HB MET 3 2HB MET 3 3.510 -27.933 -12.598 15 1HG MET 3 1HG MET 3 3.875 -30.292 -13.128 16 2HG MET 3 2HG MET 3 2.233 -29.847 -13.451 17 1HE MET 3 1HE MET 3 5.214 -31.745 -14.607 18 2HE MET 3 2HE MET 3 5.742 -30.137 -15.161 19 3HE MET 3 3HE MET 3 5.374 -31.398 -16.320 20 H ALA 4 H ALA 4 1.156 -25.636 -15.317 21 HA ALA 4 HA ALA 4 -1.011 -24.968 -14.823 22 1HB ALA 4 1HB ALA 4 -1.351 -27.999 -14.522 23 2HB ALA 4 2HB ALA 4 -1.473 -27.096 -16.022 24 3HB ALA 4 3HB ALA 4 -2.663 -26.855 -14.755 25 H GLN 5 H GLN 5 0.545 -24.500 -12.736 26 HA GLN 5 HA GLN 5 -1.286 -24.825 -10.455 27 1HB GLN 5 1HB GLN 5 0.220 -26.810 -10.287 28 2HB GLN 5 2HB GLN 5 1.623 -25.766 -10.349 29 1HG GLN 5 1HG GLN 5 1.112 -26.443 -8.014 30 2HG GLN 5 2HG GLN 5 0.971 -24.705 -8.197 31 1HE2 GLN 5 1HE2 GLN 5 -1.023 -27.697 -8.234 32 2HE2 GLN 5 2HE2 GLN 5 -2.425 -26.954 -7.629 33 H ALA 6 H ALA 6 -1.353 -23.103 -9.247 34 HA ALA 6 HA ALA 6 0.869 -21.219 -8.935 35 1HB ALA 6 1HB ALA 6 -0.157 -20.479 -11.090 36 2HB ALA 6 2HB ALA 6 -0.426 -19.279 -9.839 37 3HB ALA 6 3HB ALA 6 -1.724 -20.367 -10.309 38 H GLY 7 H GLY 7 -0.120 -19.199 -7.705 39 1HA GLY 7 1HA GLY 7 -2.402 -19.643 -5.996 40 2HA GLY 7 2HA GLY 7 -0.904 -20.023 -5.146 41 H GLU 8 H GLU 8 -1.622 -18.298 -3.788 42 HA GLU 8 HA GLU 8 -1.738 -16.129 -2.957 43 1HB GLU 8 1HB GLU 8 0.387 -14.951 -3.126 44 2HB GLU 8 2HB GLU 8 0.651 -16.660 -2.898 45 1HG GLU 8 1HG GLU 8 1.279 -16.961 -5.223 46 2HG GLU 8 2HG GLU 8 0.761 -15.332 -5.642 47 H VAL 9 H VAL 9 -1.054 -13.825 -3.445 48 HA VAL 9 HA VAL 9 -2.110 -12.808 -6.019 49 HB VAL 9 HB VAL 9 -3.556 -11.147 -4.657 50 1HG1 VAL 9 1HG1 VAL 9 -5.398 -12.768 -4.326 51 2HG1 VAL 9 2HG1 VAL 9 -4.270 -14.106 -4.411 52 3HG1 VAL 9 3HG1 VAL 9 -4.559 -13.109 -5.827 53 1HG2 VAL 9 1HG2 VAL 9 -3.067 -13.176 -2.421 54 2HG2 VAL 9 2HG2 VAL 9 -4.180 -11.831 -2.362 55 3HG2 VAL 9 3HG2 VAL 9 -2.452 -11.532 -2.420 56 H VAL 10 H VAL 10 -1.126 -11.032 -6.696 57 HA VAL 10 HA VAL 10 0.848 -9.663 -4.908 58 HB VAL 10 HB VAL 10 2.185 -9.268 -7.041 59 1HG1 VAL 10 1HG1 VAL 10 2.960 -11.609 -7.357 60 2HG1 VAL 10 2HG1 VAL 10 1.545 -12.201 -6.500 61 3HG1 VAL 10 3HG1 VAL 10 2.747 -11.230 -5.662 62 1HG2 VAL 10 1HG2 VAL 10 0.115 -11.110 -8.336 63 2HG2 VAL 10 2HG2 VAL 10 1.580 -10.516 -9.098 64 3HG2 VAL 10 3HG2 VAL 10 0.296 -9.401 -8.687 65 H LEU 11 H LEU 11 -1.537 -8.827 -4.718 66 HA LEU 11 HA LEU 11 -2.376 -6.778 -6.576 67 1HB LEU 11 1HB LEU 11 -3.157 -7.305 -3.686 68 2HB LEU 11 2HB LEU 11 -4.015 -6.209 -4.753 69 HG LEU 11 HG LEU 11 -3.596 -9.170 -5.393 70 1HD1 LEU 11 1HD1 LEU 11 -4.946 -8.913 -3.341 71 2HD1 LEU 11 2HD1 LEU 11 -5.952 -9.477 -4.661 72 3HD1 LEU 11 3HD1 LEU 11 -6.024 -7.794 -4.159 73 1HD2 LEU 11 1HD2 LEU 11 -4.090 -7.721 -7.368 74 2HD2 LEU 11 2HD2 LEU 11 -5.512 -7.094 -6.551 75 3HD2 LEU 11 3HD2 LEU 11 -5.434 -8.785 -7.017 76 H LYS 12 H LYS 12 -2.454 -4.586 -6.329 77 HA LYS 12 HA LYS 12 -0.322 -3.372 -4.608 78 1HB LYS 12 1HB LYS 12 0.124 -3.380 -7.060 79 2HB LYS 12 2HB LYS 12 -1.291 -2.362 -7.278 80 1HG LYS 12 1HG LYS 12 -0.348 -0.599 -5.899 81 2HG LYS 12 2HG LYS 12 0.939 -1.629 -5.326 82 1HD LYS 12 1HD LYS 12 1.958 -0.289 -6.963 83 2HD LYS 12 2HD LYS 12 1.673 -1.817 -7.769 84 1HE LYS 12 1HE LYS 12 0.983 0.082 -9.241 85 2HE LYS 12 2HE LYS 12 -0.408 -0.901 -8.818 86 1HZ LYS 12 1HZ LYS 12 -0.142 1.785 -8.471 87 2HZ LYS 12 2HZ LYS 12 0.064 1.158 -6.907 88 3HZ LYS 12 3HZ LYS 12 -1.344 0.797 -7.786 89 H MET 13 H MET 13 -0.666 -1.471 -3.707 90 HA MET 13 HA MET 13 -3.413 -0.317 -3.559 91 1HB MET 13 1HB MET 13 -1.372 -0.449 -1.293 92 2HB MET 13 2HB MET 13 -3.013 0.145 -1.201 93 1HG MET 13 1HG MET 13 -2.960 -2.042 -0.204 94 2HG MET 13 2HG MET 13 -3.873 -2.112 -1.679 95 1HE MET 13 1HE MET 13 -4.082 -4.429 -1.723 96 2HE MET 13 2HE MET 13 -2.889 -5.518 -2.376 97 3HE MET 13 3HE MET 13 -3.514 -4.216 -3.392 98 H LYS 14 H LYS 14 -3.391 1.944 -3.672 99 HA LYS 14 HA LYS 14 -0.717 3.244 -3.956 100 1HB LYS 14 1HB LYS 14 -1.908 2.691 -6.084 101 2HB LYS 14 2HB LYS 14 -3.151 3.806 -5.566 102 1HG LYS 14 1HG LYS 14 -1.364 5.627 -5.426 103 2HG LYS 14 2HG LYS 14 -0.251 4.492 -6.155 104 1HD LYS 14 1HD LYS 14 -2.845 5.522 -7.397 105 2HD LYS 14 2HD LYS 14 -1.226 5.974 -7.882 106 1HE LYS 14 1HE LYS 14 -0.769 3.646 -8.620 107 2HE LYS 14 2HE LYS 14 -2.376 3.156 -8.106 108 1HZ LYS 14 1HZ LYS 14 -2.194 3.624 -10.480 109 2HZ LYS 14 2HZ LYS 14 -1.850 5.249 -10.120 110 3HZ LYS 14 3HZ LYS 14 -3.353 4.583 -9.693 111 H VAL 15 H VAL 15 -0.943 3.936 -1.771 112 HA VAL 15 HA VAL 15 -3.098 5.481 -0.793 113 HB VAL 15 HB VAL 15 -0.309 4.747 0.005 114 1HG1 VAL 15 1HG1 VAL 15 -0.216 7.151 0.571 115 2HG1 VAL 15 2HG1 VAL 15 -0.270 6.150 2.012 116 3HG1 VAL 15 3HG1 VAL 15 -1.718 6.988 1.481 117 1HG2 VAL 15 1HG2 VAL 15 -2.248 3.432 0.661 118 2HG2 VAL 15 2HG2 VAL 15 -2.938 4.826 1.490 119 3HG2 VAL 15 3HG2 VAL 15 -1.458 4.095 2.085 120 H GLU 16 H GLU 16 -2.806 7.636 0.113 121 HA GLU 16 HA GLU 16 -1.804 9.610 -1.895 122 1HB GLU 16 1HB GLU 16 -4.303 9.521 -1.550 123 2HB GLU 16 2HB GLU 16 -4.049 9.825 0.158 124 1HG GLU 16 1HG GLU 16 -2.874 11.980 -0.456 125 2HG GLU 16 2HG GLU 16 -3.276 11.665 -2.139 126 H GLY 17 H GLY 17 -0.511 11.266 -1.079 127 1HA GLY 17 1HA GLY 17 0.810 10.738 1.418 128 2HA GLY 17 2HA GLY 17 1.176 12.048 0.308 129 H MET 18 H MET 18 -2.068 11.614 1.349 130 HA MET 18 HA MET 18 -3.553 12.910 2.566 131 1HB MET 18 1HB MET 18 -2.240 12.061 4.464 132 2HB MET 18 2HB MET 18 -1.085 13.368 4.342 133 1HG MET 18 1HG MET 18 -3.340 14.826 4.642 134 2HG MET 18 2HG MET 18 -3.930 13.333 5.301 135 1HE MET 18 1HE MET 18 -0.774 12.552 6.604 136 2HE MET 18 2HE MET 18 -2.400 11.970 7.031 137 3HE MET 18 3HE MET 18 -1.399 12.757 8.236 138 H THR 19 H THR 19 -1.333 15.127 3.827 139 HA THR 19 HA THR 19 -1.276 17.062 1.638 140 HB THR 19 HB THR 19 -2.387 18.874 3.116 141 HG1 THR 19 HG1 THR 19 -2.005 17.835 5.063 142 1HG2 THR 19 1HG2 THR 19 -3.911 17.570 1.503 143 2HG2 THR 19 2HG2 THR 19 -4.728 18.124 2.954 144 3HG2 THR 19 3HG2 THR 19 -4.244 16.446 2.815 145 H CYS 20 H CYS 20 0.550 18.208 1.846 146 HA CYS 20 HA CYS 20 2.637 18.869 2.586 147 1HB CYS 20 1HB CYS 20 1.258 20.307 3.995 148 2HB CYS 20 2HB CYS 20 1.096 19.069 5.206 149 H HIS 21 H HIS 21 1.883 17.338 5.689 150 HA HIS 21 HA HIS 21 4.282 15.614 5.376 151 1HB HIS 21 1HB HIS 21 4.067 17.083 7.415 152 2HB HIS 21 2HB HIS 21 2.598 16.221 7.853 153 HD1 HIS 21 HD1 HIS 21 6.147 15.227 7.046 154 HD2 HIS 21 HD2 HIS 21 3.126 14.127 9.562 155 HE1 HIS 21 HE1 HIS 21 7.041 13.408 8.447 156 H SER 22 H SER 22 4.047 13.421 6.466 157 HA SER 22 HA SER 22 1.388 12.183 6.229 158 1HB SER 22 1HB SER 22 2.224 10.490 4.534 159 2HB SER 22 2HB SER 22 2.333 12.131 3.902 160 HG SER 22 HG SER 22 4.357 10.530 5.026 161 H CYS 23 H CYS 23 1.123 10.809 7.790 162 HA CYS 23 HA CYS 23 3.383 9.836 9.431 163 1HB CYS 23 1HB CYS 23 1.383 10.933 10.449 164 2HB CYS 23 2HB CYS 23 0.380 9.660 9.815 165 H THR 24 H THR 24 3.369 8.665 6.961 166 HA THR 24 HA THR 24 1.939 6.165 6.858 167 HB THR 24 HB THR 24 3.572 5.616 4.976 168 HG1 THR 24 HG1 THR 24 5.295 6.717 6.060 169 1HG2 THR 24 1HG2 THR 24 2.622 8.531 4.935 170 2HG2 THR 24 2HG2 THR 24 1.592 7.182 4.491 171 3HG2 THR 24 3HG2 THR 24 3.002 7.565 3.522 172 H SER 25 H SER 25 4.492 7.059 8.810 173 HA SER 25 HA SER 25 6.181 4.780 8.841 174 1HB SER 25 1HB SER 25 5.354 6.604 11.166 175 2HB SER 25 2HB SER 25 6.772 5.538 11.166 176 HG SER 25 HG SER 25 6.200 7.549 9.249 177 H THR 26 H THR 26 3.068 5.366 10.247 178 HA THR 26 HA THR 26 2.928 3.078 11.957 179 HB THR 26 HB THR 26 0.413 3.604 11.946 180 HG1 THR 26 HG1 THR 26 0.397 4.185 9.740 181 1HG2 THR 26 1HG2 THR 26 0.598 5.941 12.764 182 2HG2 THR 26 2HG2 THR 26 2.156 6.138 11.979 183 3HG2 THR 26 3HG2 THR 26 1.997 5.062 13.357 184 H ILE 27 H ILE 27 1.985 3.667 8.648 185 HA ILE 27 HA ILE 27 0.506 1.375 8.017 186 HB ILE 27 HB ILE 27 2.469 2.942 6.280 187 1HG1 ILE 27 1HG1 ILE 27 -0.550 3.184 6.667 188 2HG1 ILE 27 2HG1 ILE 27 0.636 4.302 7.300 189 1HG2 ILE 27 1HG2 ILE 27 1.238 2.039 4.337 190 2HG2 ILE 27 2HG2 ILE 27 0.290 1.025 5.410 191 3HG2 ILE 27 3HG2 ILE 27 2.019 0.771 5.242 192 1HD1 ILE 27 1HD1 ILE 27 1.350 4.853 4.975 193 2HD1 ILE 27 2HD1 ILE 27 -0.343 5.209 5.246 194 3HD1 ILE 27 3HD1 ILE 27 0.106 3.783 4.346 195 H GLU 28 H GLU 28 3.968 1.763 8.243 196 HA GLU 28 HA GLU 28 4.961 -0.491 7.018 197 1HB GLU 28 1HB GLU 28 6.186 1.457 8.116 198 2HB GLU 28 2HB GLU 28 5.942 0.680 9.655 199 1HG GLU 28 1HG GLU 28 7.101 -1.345 8.828 200 2HG GLU 28 2HG GLU 28 7.377 -0.528 7.289 201 H GLY 29 H GLY 29 4.642 -0.332 10.502 202 1HA GLY 29 1HA GLY 29 4.662 -3.195 10.877 203 2HA GLY 29 2HA GLY 29 4.326 -2.002 12.120 204 H LYS 30 H LYS 30 2.107 -0.950 10.317 205 HA LYS 30 HA LYS 30 -0.063 -2.357 11.544 206 1HB LYS 30 1HB LYS 30 -0.198 0.021 10.767 207 2HB LYS 30 2HB LYS 30 -0.029 -0.507 9.108 208 1HG LYS 30 1HG LYS 30 -2.371 -0.043 9.551 209 2HG LYS 30 2HG LYS 30 -2.189 -1.767 9.314 210 1HD LYS 30 1HD LYS 30 -2.217 -2.130 11.775 211 2HD LYS 30 2HD LYS 30 -2.285 -0.396 12.045 212 1HE LYS 30 1HE LYS 30 -4.537 -1.389 12.236 213 2HE LYS 30 2HE LYS 30 -4.480 -0.320 10.843 214 1HZ LYS 30 1HZ LYS 30 -3.695 -2.963 10.158 215 2HZ LYS 30 2HZ LYS 30 -4.924 -1.994 9.498 216 3HZ LYS 30 3HZ LYS 30 -5.237 -2.945 10.869 217 H ILE 31 H ILE 31 1.422 -2.429 8.429 218 HA ILE 31 HA ILE 31 -0.268 -4.592 7.434 219 HB ILE 31 HB ILE 31 1.948 -2.933 6.159 220 1HG1 ILE 31 1HG1 ILE 31 -1.102 -2.899 5.874 221 2HG1 ILE 31 2HG1 ILE 31 -0.151 -1.687 6.701 222 1HG2 ILE 31 1HG2 ILE 31 1.772 -5.194 5.077 223 2HG2 ILE 31 2HG2 ILE 31 1.252 -3.903 4.027 224 3HG2 ILE 31 3HG2 ILE 31 0.055 -4.916 4.823 225 1HD1 ILE 31 1HD1 ILE 31 -0.755 -0.884 4.465 226 2HD1 ILE 31 2HD1 ILE 31 -0.031 -2.288 3.714 227 3HD1 ILE 31 3HD1 ILE 31 0.984 -1.120 4.545 228 H GLY 32 H GLY 32 2.843 -4.095 8.813 229 1HA GLY 32 1HA GLY 32 4.102 -6.492 7.880 230 2HA GLY 32 2HA GLY 32 4.688 -5.450 9.164 231 H LYS 33 H LYS 33 1.777 -5.836 10.173 232 HA LYS 33 HA LYS 33 2.400 -8.030 11.970 233 1HB LYS 33 1HB LYS 33 1.723 -5.955 12.948 234 2HB LYS 33 2HB LYS 33 0.292 -5.911 11.946 235 1HG LYS 33 1HG LYS 33 -0.199 -6.538 14.310 236 2HG LYS 33 2HG LYS 33 -0.710 -7.781 13.202 237 1HD LYS 33 1HD LYS 33 1.526 -8.981 13.708 238 2HD LYS 33 2HD LYS 33 1.830 -7.746 14.916 239 1HE LYS 33 1HE LYS 33 0.833 -9.745 15.965 240 2HE LYS 33 2HE LYS 33 -0.300 -8.406 16.071 241 1HZ LYS 33 1HZ LYS 33 -0.590 -9.920 13.658 242 2HZ LYS 33 2HZ LYS 33 -1.756 -9.461 14.802 243 3HZ LYS 33 3HZ LYS 33 -0.823 -10.858 15.053 244 H LEU 34 H LEU 34 0.911 -7.824 9.044 245 HA LEU 34 HA LEU 34 -1.420 -9.359 9.475 246 1HB LEU 34 1HB LEU 34 0.168 -8.774 6.986 247 2HB LEU 34 2HB LEU 34 -1.440 -9.461 6.995 248 HG LEU 34 HG LEU 34 -0.706 -6.714 8.117 249 1HD1 LEU 34 1HD1 LEU 34 -0.578 -6.897 5.621 250 2HD1 LEU 34 2HD1 LEU 34 -1.925 -5.886 6.094 251 3HD1 LEU 34 3HD1 LEU 34 -2.209 -7.541 5.590 252 1HD2 LEU 34 1HD2 LEU 34 -2.681 -7.764 9.275 253 2HD2 LEU 34 2HD2 LEU 34 -3.444 -7.993 7.707 254 3HD2 LEU 34 3HD2 LEU 34 -3.134 -6.381 8.322 255 H GLN 35 H GLN 35 -1.715 -11.438 9.646 256 HA GLN 35 HA GLN 35 0.495 -13.307 9.352 257 1HB GLN 35 1HB GLN 35 -2.359 -13.557 10.367 258 2HB GLN 35 2HB GLN 35 -1.360 -14.973 10.131 259 1HG GLN 35 1HG GLN 35 -1.236 -14.261 12.475 260 2HG GLN 35 2HG GLN 35 0.330 -14.072 11.712 261 1HE2 GLN 35 1HE2 GLN 35 -2.539 -11.881 11.612 262 2HE2 GLN 35 2HE2 GLN 35 -1.716 -10.551 12.275 263 H GLY 36 H GLY 36 0.632 -14.894 7.810 264 1HA GLY 36 1HA GLY 36 0.006 -16.240 5.994 265 2HA GLY 36 2HA GLY 36 -1.523 -15.390 5.923 266 H VAL 37 H VAL 37 0.809 -13.108 6.133 267 HA VAL 37 HA VAL 37 0.693 -12.481 3.275 268 HB VAL 37 HB VAL 37 1.623 -10.957 5.774 269 1HG1 VAL 37 1HG1 VAL 37 3.179 -10.385 3.879 270 2HG1 VAL 37 2HG1 VAL 37 2.125 -9.047 4.295 271 3HG1 VAL 37 3HG1 VAL 37 1.785 -10.021 2.870 272 1HG2 VAL 37 1HG2 VAL 37 -0.213 -9.462 5.019 273 2HG2 VAL 37 2HG2 VAL 37 -0.801 -11.106 5.257 274 3HG2 VAL 37 3HG2 VAL 37 -0.504 -10.495 3.642 275 H GLN 38 H GLN 38 2.445 -12.348 1.943 276 HA GLN 38 HA GLN 38 4.791 -13.948 2.786 277 1HB GLN 38 1HB GLN 38 3.788 -13.055 0.038 278 2HB GLN 38 2HB GLN 38 5.175 -14.100 0.315 279 1HG GLN 38 1HG GLN 38 3.755 -15.805 1.318 280 2HG GLN 38 2HG GLN 38 2.357 -14.733 1.276 281 1HE2 GLN 38 1HE2 GLN 38 1.934 -13.820 -1.065 282 2HE2 GLN 38 2HE2 GLN 38 2.027 -14.963 -2.314 283 H ARG 39 H ARG 39 4.583 -11.456 0.384 284 HA ARG 39 HA ARG 39 6.937 -10.106 1.603 285 1HB ARG 39 1HB ARG 39 6.911 -10.823 -0.890 286 2HB ARG 39 2HB ARG 39 5.735 -9.553 -1.138 287 1HG ARG 39 1HG ARG 39 7.875 -8.736 -1.822 288 2HG ARG 39 2HG ARG 39 7.337 -7.817 -0.446 289 1HD ARG 39 1HD ARG 39 9.270 -10.172 -0.225 290 2HD ARG 39 2HD ARG 39 9.805 -8.507 -0.424 291 HE ARG 39 HE ARG 39 8.040 -8.572 1.792 292 1HH1 ARG 39 1HH1 ARG 39 11.131 -9.802 0.829 293 2HH1 ARG 39 2HH1 ARG 39 11.744 -9.833 2.448 294 1HH2 ARG 39 1HH2 ARG 39 8.783 -8.602 3.834 295 2HH2 ARG 39 2HH2 ARG 39 10.391 -9.141 4.181 296 H ILE 40 H ILE 40 6.995 -7.758 1.443 297 HA ILE 40 HA ILE 40 4.502 -6.257 1.477 298 HB ILE 40 HB ILE 40 4.583 -7.141 3.787 299 1HG1 ILE 40 1HG1 ILE 40 5.445 -4.212 3.660 300 2HG1 ILE 40 2HG1 ILE 40 3.815 -4.803 3.452 301 1HG2 ILE 40 1HG2 ILE 40 7.401 -5.980 4.038 302 2HG2 ILE 40 2HG2 ILE 40 6.998 -7.685 3.926 303 3HG2 ILE 40 3HG2 ILE 40 6.493 -6.757 5.315 304 1HD1 ILE 40 1HD1 ILE 40 4.115 -3.943 5.737 305 2HD1 ILE 40 2HD1 ILE 40 5.448 -5.044 6.018 306 3HD1 ILE 40 3HD1 ILE 40 3.824 -5.674 5.782 307 H LYS 41 H LYS 41 5.024 -4.460 0.388 308 HA LYS 41 HA LYS 41 7.669 -3.180 0.762 309 1HB LYS 41 1HB LYS 41 8.053 -3.073 -1.654 310 2HB LYS 41 2HB LYS 41 8.186 -4.674 -0.953 311 1HG LYS 41 1HG LYS 41 5.872 -5.197 -1.668 312 2HG LYS 41 2HG LYS 41 5.733 -3.606 -2.404 313 1HD LYS 41 1HD LYS 41 7.944 -5.537 -3.052 314 2HD LYS 41 2HD LYS 41 6.403 -5.571 -3.901 315 1HE LYS 41 1HE LYS 41 6.792 -3.161 -4.586 316 2HE LYS 41 2HE LYS 41 8.356 -3.207 -3.783 317 1HZ LYS 41 1HZ LYS 41 7.514 -4.922 -6.041 318 2HZ LYS 41 2HZ LYS 41 9.016 -4.999 -5.250 319 3HZ LYS 41 3HZ LYS 41 8.585 -3.605 -6.119 320 H VAL 42 H VAL 42 7.791 -1.074 -0.258 321 HA VAL 42 HA VAL 42 5.185 0.148 -0.971 322 HB VAL 42 HB VAL 42 7.161 1.281 1.049 323 1HG1 VAL 42 1HG1 VAL 42 4.454 2.329 0.095 324 2HG1 VAL 42 2HG1 VAL 42 6.009 3.053 -0.278 325 3HG1 VAL 42 3HG1 VAL 42 5.423 3.052 1.373 326 1HG2 VAL 42 1HG2 VAL 42 5.843 -0.581 2.027 327 2HG2 VAL 42 2HG2 VAL 42 4.351 0.165 1.477 328 3HG2 VAL 42 3HG2 VAL 42 5.327 0.946 2.711 329 H SER 43 H SER 43 5.242 1.470 -2.565 330 HA SER 43 HA SER 43 7.836 2.142 -3.837 331 1HB SER 43 1HB SER 43 4.967 2.097 -4.893 332 2HB SER 43 2HB SER 43 6.384 2.522 -5.848 333 HG SER 43 HG SER 43 5.919 0.119 -4.426 334 H LEU 44 H LEU 44 8.283 4.234 -4.438 335 HA LEU 44 HA LEU 44 7.508 6.299 -2.641 336 1HB LEU 44 1HB LEU 44 8.881 7.766 -4.222 337 2HB LEU 44 2HB LEU 44 9.683 6.381 -3.532 338 HG LEU 44 HG LEU 44 9.392 5.112 -5.658 339 1HD1 LEU 44 1HD1 LEU 44 7.327 6.175 -6.554 340 2HD1 LEU 44 2HD1 LEU 44 8.631 6.281 -7.709 341 3HD1 LEU 44 3HD1 LEU 44 8.192 7.693 -6.763 342 1HD2 LEU 44 1HD2 LEU 44 10.996 6.450 -6.997 343 2HD2 LEU 44 2HD2 LEU 44 11.431 6.450 -5.297 344 3HD2 LEU 44 3HD2 LEU 44 10.656 7.858 -6.004 345 H ASP 45 H ASP 45 5.533 5.211 -4.970 346 HA ASP 45 HA ASP 45 4.558 7.812 -5.973 347 1HB ASP 45 1HB ASP 45 4.605 5.782 -7.449 348 2HB ASP 45 2HB ASP 45 3.518 4.954 -6.357 349 H ASN 46 H ASN 46 4.338 8.382 -3.617 350 HA ASN 46 HA ASN 46 3.040 8.865 -1.742 351 1HB ASN 46 1HB ASN 46 0.776 8.243 -3.732 352 2HB ASN 46 2HB ASN 46 0.562 9.051 -2.185 353 1HD2 ASN 46 1HD2 ASN 46 0.930 11.268 -2.112 354 2HD2 ASN 46 2HD2 ASN 46 1.567 12.175 -3.397 355 H GLN 47 H GLN 47 4.073 6.875 -1.051 356 HA GLN 47 HA GLN 47 4.189 4.760 -0.173 357 1HB GLN 47 1HB GLN 47 2.947 6.512 1.328 358 2HB GLN 47 2HB GLN 47 1.518 5.621 0.921 359 1HG GLN 47 1HG GLN 47 3.967 4.430 2.321 360 2HG GLN 47 2HG GLN 47 2.558 5.026 3.165 361 1HE2 GLN 47 1HE2 GLN 47 0.398 3.975 2.089 362 2HE2 GLN 47 2HE2 GLN 47 0.471 2.282 1.976 363 H GLU 48 H GLU 48 3.487 4.417 -2.627 364 HA GLU 48 HA GLU 48 0.991 2.931 -2.967 365 1HB GLU 48 1HB GLU 48 1.908 4.160 -4.850 366 2HB GLU 48 2HB GLU 48 3.444 3.339 -4.752 367 1HG GLU 48 1HG GLU 48 2.131 1.182 -5.325 368 2HG GLU 48 2HG GLU 48 0.715 2.202 -5.524 369 H ALA 49 H ALA 49 1.177 1.516 -1.337 370 HA ALA 49 HA ALA 49 3.342 -0.352 -1.027 371 1HB ALA 49 1HB ALA 49 1.872 -1.323 0.706 372 2HB ALA 49 2HB ALA 49 0.537 -0.335 0.119 373 3HB ALA 49 3HB ALA 49 1.949 0.419 0.835 374 H THR 50 H THR 50 3.689 -2.274 -1.942 375 HA THR 50 HA THR 50 1.437 -3.574 -3.440 376 HB THR 50 HB THR 50 4.433 -3.641 -4.128 377 HG1 THR 50 HG1 THR 50 3.370 -1.605 -4.335 378 1HG2 THR 50 1HG2 THR 50 1.906 -4.345 -5.761 379 2HG2 THR 50 2HG2 THR 50 2.945 -5.569 -5.056 380 3HG2 THR 50 3HG2 THR 50 3.563 -4.517 -6.315 381 H ILE 51 H ILE 51 1.077 -4.484 -1.265 382 HA ILE 51 HA ILE 51 2.941 -6.390 -0.139 383 HB ILE 51 HB ILE 51 -0.059 -6.051 0.325 384 1HG1 ILE 51 1HG1 ILE 51 0.611 -5.163 2.521 385 2HG1 ILE 51 2HG1 ILE 51 2.299 -5.228 2.053 386 1HG2 ILE 51 1HG2 ILE 51 1.947 -7.695 1.909 387 2HG2 ILE 51 2HG2 ILE 51 0.634 -8.354 0.939 388 3HG2 ILE 51 3HG2 ILE 51 0.281 -7.412 2.374 389 1HD1 ILE 51 1HD1 ILE 51 1.361 -2.985 1.863 390 2HD1 ILE 51 2HD1 ILE 51 0.153 -3.558 0.719 391 3HD1 ILE 51 3HD1 ILE 51 1.865 -3.561 0.288 392 H VAL 52 H VAL 52 3.061 -8.571 -0.423 393 HA VAL 52 HA VAL 52 1.269 -9.832 -2.419 394 HB VAL 52 HB VAL 52 4.151 -10.488 -1.680 395 1HG1 VAL 52 1HG1 VAL 52 2.305 -11.746 -3.711 396 2HG1 VAL 52 2HG1 VAL 52 2.898 -12.484 -2.236 397 3HG1 VAL 52 3HG1 VAL 52 4.021 -12.115 -3.531 398 1HG2 VAL 52 1HG2 VAL 52 2.958 -9.335 -4.246 399 2HG2 VAL 52 2HG2 VAL 52 4.654 -9.738 -4.015 400 3HG2 VAL 52 3HG2 VAL 52 3.925 -8.428 -3.096 401 H TYR 53 H TYR 53 0.178 -11.500 -1.661 402 HA TYR 53 HA TYR 53 1.058 -12.913 0.765 403 1HB TYR 53 1HB TYR 53 -1.043 -12.435 2.006 404 2HB TYR 53 2HB TYR 53 -0.107 -10.990 1.685 405 HD1 TYR 53 HD1 TYR 53 -0.854 -9.488 -0.318 406 HD2 TYR 53 HD2 TYR 53 -3.302 -12.549 1.356 407 HE1 TYR 53 HE1 TYR 53 -2.841 -8.435 -1.279 408 HE2 TYR 53 HE2 TYR 53 -5.279 -11.493 0.389 409 HH TYR 53 HH TYR 53 -5.694 -9.915 -1.679 410 H GLN 54 H GLN 54 -0.265 -14.622 1.403 411 HA GLN 54 HA GLN 54 -0.855 -16.415 -0.716 412 1HB GLN 54 1HB GLN 54 -1.559 -16.478 2.237 413 2HB GLN 54 2HB GLN 54 -1.658 -17.882 1.182 414 1HG GLN 54 1HG GLN 54 0.744 -17.856 0.801 415 2HG GLN 54 2HG GLN 54 0.917 -16.308 1.616 416 1HE2 GLN 54 1HE2 GLN 54 1.477 -16.415 3.752 417 2HE2 GLN 54 2HE2 GLN 54 1.261 -17.756 4.769 418 HA PRO 55 HA PRO 55 -4.393 -15.168 -2.238 419 1HB PRO 55 1HB PRO 55 -5.670 -17.412 -3.206 420 2HB PRO 55 2HB PRO 55 -4.148 -16.787 -3.824 421 1HG PRO 55 1HG PRO 55 -4.637 -19.135 -2.050 422 2HG PRO 55 2HG PRO 55 -3.345 -18.877 -3.211 423 1HD PRO 55 1HD PRO 55 -3.151 -18.561 -0.388 424 2HD PRO 55 2HD PRO 55 -1.961 -17.997 -1.574 425 H HIS 56 H HIS 56 -5.055 -16.744 0.628 426 HA HIS 56 HA HIS 56 -7.693 -15.499 0.812 427 1HB HIS 56 1HB HIS 56 -8.869 -17.724 1.290 428 2HB HIS 56 2HB HIS 56 -8.343 -17.535 -0.376 429 HD1 HIS 56 HD1 HIS 56 -6.964 -19.446 -1.167 430 HD2 HIS 56 HD2 HIS 56 -6.749 -19.194 2.903 431 HE1 HIS 56 HE1 HIS 56 -5.610 -21.368 -0.423 432 H LEU 57 H LEU 57 -5.106 -15.529 2.280 433 HA LEU 57 HA LEU 57 -5.776 -16.705 4.865 434 1HB LEU 57 1HB LEU 57 -3.403 -15.178 3.769 435 2HB LEU 57 2HB LEU 57 -3.549 -15.509 5.476 436 HG LEU 57 HG LEU 57 -2.131 -17.203 4.202 437 1HD1 LEU 57 1HD1 LEU 57 -3.129 -19.187 5.289 438 2HD1 LEU 57 2HD1 LEU 57 -4.637 -18.330 5.532 439 3HD1 LEU 57 3HD1 LEU 57 -3.183 -17.802 6.365 440 1HD2 LEU 57 1HD2 LEU 57 -3.575 -17.304 2.116 441 2HD2 LEU 57 2HD2 LEU 57 -4.805 -18.118 3.057 442 3HD2 LEU 57 3HD2 LEU 57 -3.255 -18.889 2.803 443 H ILE 58 H ILE 58 -5.264 -13.474 3.562 444 HA ILE 58 HA ILE 58 -7.210 -12.351 5.383 445 HB ILE 58 HB ILE 58 -5.276 -12.520 6.870 446 1HG1 ILE 58 1HG1 ILE 58 -5.606 -9.581 6.124 447 2HG1 ILE 58 2HG1 ILE 58 -6.857 -10.493 6.951 448 1HG2 ILE 58 1HG2 ILE 58 -3.161 -11.244 6.370 449 2HG2 ILE 58 2HG2 ILE 58 -3.816 -10.769 4.816 450 3HG2 ILE 58 3HG2 ILE 58 -3.467 -12.457 5.145 451 1HD1 ILE 58 1HD1 ILE 58 -5.285 -10.979 8.790 452 2HD1 ILE 58 2HD1 ILE 58 -5.463 -9.249 8.541 453 3HD1 ILE 58 3HD1 ILE 58 -4.022 -10.076 7.966 454 H SER 59 H SER 59 -7.525 -10.060 5.079 455 HA SER 59 HA SER 59 -6.959 -9.208 2.265 456 1HB SER 59 1HB SER 59 -8.949 -7.699 2.602 457 2HB SER 59 2HB SER 59 -9.357 -9.409 2.815 458 HG SER 59 HG SER 59 -8.889 -7.427 4.763 459 H VAL 60 H VAL 60 -5.363 -7.915 2.070 460 HA VAL 60 HA VAL 60 -4.302 -6.278 4.163 461 HB VAL 60 HB VAL 60 -3.814 -6.280 1.153 462 1HG1 VAL 60 1HG1 VAL 60 -2.986 -4.167 2.229 463 2HG1 VAL 60 2HG1 VAL 60 -1.640 -5.161 1.717 464 3HG1 VAL 60 3HG1 VAL 60 -2.100 -5.114 3.411 465 1HG2 VAL 60 1HG2 VAL 60 -3.314 -8.462 2.213 466 2HG2 VAL 60 2HG2 VAL 60 -2.282 -7.669 3.392 467 3HG2 VAL 60 3HG2 VAL 60 -1.836 -7.678 1.694 468 H GLU 61 H GLU 61 -6.633 -5.961 1.708 469 HA GLU 61 HA GLU 61 -6.773 -3.168 1.345 470 1HB GLU 61 1HB GLU 61 -7.865 -4.962 -0.056 471 2HB GLU 61 2HB GLU 61 -9.033 -5.209 1.229 472 1HG GLU 61 1HG GLU 61 -9.839 -2.917 1.015 473 2HG GLU 61 2HG GLU 61 -8.564 -2.537 -0.138 474 H GLU 62 H GLU 62 -7.808 -5.187 3.977 475 HA GLU 62 HA GLU 62 -9.723 -3.371 5.119 476 1HB GLU 62 1HB GLU 62 -9.564 -5.812 5.607 477 2HB GLU 62 2HB GLU 62 -8.029 -5.558 6.384 478 1HG GLU 62 1HG GLU 62 -9.906 -5.664 8.075 479 2HG GLU 62 2HG GLU 62 -9.034 -4.149 8.144 480 H MET 63 H MET 63 -6.303 -4.033 5.497 481 HA MET 63 HA MET 63 -5.783 -2.210 7.604 482 1HB MET 63 1HB MET 63 -4.031 -3.227 5.418 483 2HB MET 63 2HB MET 63 -3.412 -2.202 6.692 484 1HG MET 63 1HG MET 63 -3.053 -4.568 7.172 485 2HG MET 63 2HG MET 63 -4.029 -3.802 8.376 486 1HE MET 63 1HE MET 63 -6.814 -4.039 8.321 487 2HE MET 63 2HE MET 63 -5.769 -4.885 9.480 488 3HE MET 63 3HE MET 63 -7.092 -5.727 8.700 489 H LYS 64 H LYS 64 -5.881 -1.945 4.120 490 HA LYS 64 HA LYS 64 -4.938 0.732 3.921 491 1HB LYS 64 1HB LYS 64 -6.877 -0.754 2.091 492 2HB LYS 64 2HB LYS 64 -6.093 0.736 1.653 493 1HG LYS 64 1HG LYS 64 -4.799 -1.967 2.150 494 2HG LYS 64 2HG LYS 64 -4.877 -1.092 0.646 495 1HD LYS 64 1HD LYS 64 -3.225 -0.326 3.090 496 2HD LYS 64 2HD LYS 64 -2.614 -0.948 1.589 497 1HE LYS 64 1HE LYS 64 -2.202 1.365 1.411 498 2HE LYS 64 2HE LYS 64 -3.671 1.158 0.472 499 1HZ LYS 64 1HZ LYS 64 -3.710 3.057 2.004 500 2HZ LYS 64 2HZ LYS 64 -3.643 1.976 3.307 501 3HZ LYS 64 3HZ LYS 64 -4.977 1.967 2.257 502 H LYS 65 H LYS 65 -8.119 -0.598 4.606 503 HA LYS 65 HA LYS 65 -9.566 1.805 4.238 504 1HB LYS 65 1HB LYS 65 -10.568 -0.483 4.432 505 2HB LYS 65 2HB LYS 65 -10.060 -0.570 6.096 506 1HG LYS 65 1HG LYS 65 -11.849 1.703 5.261 507 2HG LYS 65 2HG LYS 65 -12.543 0.115 5.522 508 1HD LYS 65 1HD LYS 65 -11.674 0.058 7.831 509 2HD LYS 65 2HD LYS 65 -10.884 1.604 7.634 510 1HE LYS 65 1HE LYS 65 -13.881 1.165 7.420 511 2HE LYS 65 2HE LYS 65 -13.042 1.858 8.801 512 1HZ LYS 65 1HZ LYS 65 -13.654 3.714 7.671 513 2HZ LYS 65 2HZ LYS 65 -13.485 2.993 6.142 514 3HZ LYS 65 3HZ LYS 65 -12.107 3.465 7.015 515 H GLN 66 H GLN 66 -7.940 0.443 7.028 516 HA GLN 66 HA GLN 66 -8.665 2.501 8.838 517 1HB GLN 66 1HB GLN 66 -6.257 0.601 8.800 518 2HB GLN 66 2HB GLN 66 -6.800 1.495 10.205 519 1HG GLN 66 1HG GLN 66 -8.992 0.327 10.138 520 2HG GLN 66 2HG GLN 66 -8.508 -0.547 8.697 521 1HE2 GLN 66 1HE2 GLN 66 -7.304 0.022 12.047 522 2HE2 GLN 66 2HE2 GLN 66 -6.739 -1.565 12.261 523 H ILE 67 H ILE 67 -6.042 2.077 6.590 524 HA ILE 67 HA ILE 67 -4.451 4.324 7.365 525 HB ILE 67 HB ILE 67 -4.772 2.630 4.888 526 1HG1 ILE 67 1HG1 ILE 67 -2.691 2.822 7.088 527 2HG1 ILE 67 2HG1 ILE 67 -3.918 1.620 7.044 528 1HG2 ILE 67 1HG2 ILE 67 -3.861 4.777 4.124 529 2HG2 ILE 67 2HG2 ILE 67 -2.598 3.576 4.062 530 3HG2 ILE 67 3HG2 ILE 67 -2.625 4.735 5.379 531 1HD1 ILE 67 1HD1 ILE 67 -3.008 0.688 4.929 532 2HD1 ILE 67 2HD1 ILE 67 -1.826 0.651 6.220 533 3HD1 ILE 67 3HD1 ILE 67 -1.710 1.870 4.963 534 H GLU 68 H GLU 68 -7.180 3.792 5.320 535 HA GLU 68 HA GLU 68 -7.205 6.495 4.178 536 1HB GLU 68 1HB GLU 68 -9.123 4.169 4.121 537 2HB GLU 68 2HB GLU 68 -9.442 5.695 3.318 538 1HG GLU 68 1HG GLU 68 -7.498 5.422 1.894 539 2HG GLU 68 2HG GLU 68 -6.897 4.060 2.787 540 H ALA 69 H ALA 69 -8.375 4.955 6.981 541 HA ALA 69 HA ALA 69 -10.482 6.896 7.524 542 1HB ALA 69 1HB ALA 69 -9.152 4.842 9.314 543 2HB ALA 69 2HB ALA 69 -10.610 4.576 8.364 544 3HB ALA 69 3HB ALA 69 -10.621 5.730 9.695 545 H MET 70 H MET 70 -7.140 6.332 8.469 546 HA MET 70 HA MET 70 -7.065 8.407 10.415 547 1HB MET 70 1HB MET 70 -4.667 7.820 10.469 548 2HB MET 70 2HB MET 70 -5.694 6.405 10.613 549 1HG MET 70 1HG MET 70 -4.040 5.741 9.193 550 2HG MET 70 2HG MET 70 -5.359 6.134 8.149 551 1HE MET 70 1HE MET 70 -2.200 6.967 9.707 552 2HE MET 70 2HE MET 70 -1.315 8.003 8.621 553 3HE MET 70 3HE MET 70 -1.553 6.298 8.200 554 H GLY 71 H GLY 71 -6.945 8.418 7.041 555 1HA GLY 71 1HA GLY 71 -7.046 10.778 6.171 556 2HA GLY 71 2HA GLY 71 -5.578 11.086 7.064 557 H PHE 72 H PHE 72 -5.891 8.129 5.226 558 HA PHE 72 HA PHE 72 -4.227 9.309 3.044 559 1HB PHE 72 1HB PHE 72 -3.707 6.749 4.597 560 2HB PHE 72 2HB PHE 72 -3.049 7.032 3.028 561 HD1 PHE 72 HD1 PHE 72 -2.350 10.011 3.366 562 HD2 PHE 72 HD2 PHE 72 -1.786 6.640 5.906 563 HE1 PHE 72 HE1 PHE 72 -0.395 11.087 4.358 564 HE2 PHE 72 HE2 PHE 72 0.163 7.729 6.894 565 HZ PHE 72 HZ PHE 72 0.854 9.941 6.126 566 HA PRO 73 HA PRO 73 -7.857 7.195 1.064 567 1HB PRO 73 1HB PRO 73 -6.947 9.016 -1.056 568 2HB PRO 73 2HB PRO 73 -8.569 8.684 -0.461 569 1HG PRO 73 1HG PRO 73 -7.169 11.013 0.167 570 2HG PRO 73 2HG PRO 73 -8.466 10.355 1.142 571 1HD PRO 73 1HD PRO 73 -5.564 10.379 1.734 572 2HD PRO 73 2HD PRO 73 -6.919 10.093 2.840 573 H ALA 74 H ALA 74 -7.510 5.488 -0.129 574 HA ALA 74 HA ALA 74 -4.880 5.128 -1.509 575 1HB ALA 74 1HB ALA 74 -6.354 3.039 0.143 576 2HB ALA 74 2HB ALA 74 -4.890 3.888 0.617 577 3HB ALA 74 3HB ALA 74 -4.857 2.778 -0.742 578 H PHE 75 H PHE 75 -5.132 5.030 -3.435 579 HA PHE 75 HA PHE 75 -7.569 4.155 -4.790 580 1HB PHE 75 1HB PHE 75 -4.934 5.137 -6.006 581 2HB PHE 75 2HB PHE 75 -6.514 5.140 -6.774 582 HD1 PHE 75 HD1 PHE 75 -4.226 7.054 -4.828 583 HD2 PHE 75 HD2 PHE 75 -8.398 6.526 -5.530 584 HE1 PHE 75 HE1 PHE 75 -4.666 9.268 -3.875 585 HE2 PHE 75 HE2 PHE 75 -8.832 8.744 -4.576 586 HZ PHE 75 HZ PHE 75 -6.970 10.120 -3.747 587 H VAL 76 H VAL 76 -7.205 1.990 -3.828 588 HA VAL 76 HA VAL 76 -5.090 0.240 -4.606 589 HB VAL 76 HB VAL 76 -7.985 -0.463 -3.867 590 1HG1 VAL 76 1HG1 VAL 76 -6.670 -2.378 -4.852 591 2HG1 VAL 76 2HG1 VAL 76 -7.032 -2.638 -3.156 592 3HG1 VAL 76 3HG1 VAL 76 -5.426 -2.122 -3.646 593 1HG2 VAL 76 1HG2 VAL 76 -6.875 0.951 -2.125 594 2HG2 VAL 76 2HG2 VAL 76 -5.519 -0.163 -2.086 595 3HG2 VAL 76 3HG2 VAL 76 -7.107 -0.688 -1.549 596 H LYS 77 H LYS 77 -4.650 0.333 -6.713 597 HA LYS 77 HA LYS 77 -6.690 0.039 -8.786 598 1HB LYS 77 1HB LYS 77 -4.704 1.544 -9.036 599 2HB LYS 77 2HB LYS 77 -3.662 0.136 -8.953 600 1HG LYS 77 1HG LYS 77 -4.611 -0.759 -11.047 601 2HG LYS 77 2HG LYS 77 -5.836 0.488 -11.067 602 1HD LYS 77 1HD LYS 77 -4.098 1.034 -12.689 603 2HD LYS 77 2HD LYS 77 -4.063 2.217 -11.402 604 1HE LYS 77 1HE LYS 77 -2.195 -0.192 -11.480 605 2HE LYS 77 2HE LYS 77 -1.776 1.373 -12.155 606 1HZ LYS 77 1HZ LYS 77 -0.999 1.779 -10.137 607 2HZ LYS 77 2HZ LYS 77 -1.890 0.526 -9.416 608 3HZ LYS 77 3HZ LYS 77 -2.621 2.032 -9.703 609 H LYS 78 H LYS 78 -7.478 -2.051 -8.105 610 HA LYS 78 HA LYS 78 -5.813 -4.377 -8.247 611 1HB LYS 78 1HB LYS 78 -7.934 -5.668 -8.110 612 2HB LYS 78 2HB LYS 78 -7.852 -4.452 -6.879 613 1HG LYS 78 1HG LYS 78 -9.303 -3.918 -9.505 614 2HG LYS 78 2HG LYS 78 -10.085 -4.846 -8.261 615 1HD LYS 78 1HD LYS 78 -9.146 -1.950 -7.909 616 2HD LYS 78 2HD LYS 78 -10.762 -2.458 -8.289 617 1HE LYS 78 1HE LYS 78 -10.747 -2.068 -5.922 618 2HE LYS 78 2HE LYS 78 -10.786 -3.810 -6.126 619 1HZ LYS 78 1HZ LYS 78 -8.144 -2.670 -5.989 620 2HZ LYS 78 2HZ LYS 78 -8.784 -4.048 -5.228 621 3HZ LYS 78 3HZ LYS 78 -9.065 -2.508 -4.571 622 H GLN 79 H GLN 79 -6.833 -6.224 -9.854 623 HA GLN 79 HA GLN 79 -6.901 -5.005 -12.600 624 1HB GLN 79 1HB GLN 79 -5.621 -7.647 -11.809 625 2HB GLN 79 2HB GLN 79 -5.584 -6.903 -13.395 626 1HG GLN 79 1HG GLN 79 -4.292 -5.794 -10.855 627 2HG GLN 79 2HG GLN 79 -3.453 -6.482 -12.232 628 1HE2 GLN 79 1HE2 GLN 79 -4.043 -3.583 -10.876 629 2HE2 GLN 79 2HE2 GLN 79 -4.084 -2.595 -12.256 630 HA PRO 80 HA PRO 80 -10.659 -7.633 -12.541 631 1HB PRO 80 1HB PRO 80 -12.368 -5.681 -13.522 632 2HB PRO 80 2HB PRO 80 -12.091 -5.993 -11.814 633 1HG PRO 80 1HG PRO 80 -11.170 -3.719 -13.451 634 2HG PRO 80 2HG PRO 80 -11.281 -3.849 -11.702 635 1HD PRO 80 1HD PRO 80 -8.898 -4.104 -13.346 636 2HD PRO 80 2HD PRO 80 -9.021 -4.218 -11.583 637 H LYS 81 H LYS 81 -12.324 -7.593 -14.582 638 HA LYS 81 HA LYS 81 -11.021 -7.076 -17.141 639 1HB LYS 81 1HB LYS 81 -9.957 -9.240 -16.505 640 2HB LYS 81 2HB LYS 81 -11.529 -9.946 -16.205 641 1HG LYS 81 1HG LYS 81 -10.721 -10.676 -18.396 642 2HG LYS 81 2HG LYS 81 -12.116 -9.649 -18.632 643 1HD LYS 81 1HD LYS 81 -10.574 -7.708 -19.111 644 2HD LYS 81 2HD LYS 81 -9.201 -8.782 -18.913 645 1HE LYS 81 1HE LYS 81 -11.410 -9.071 -20.997 646 2HE LYS 81 2HE LYS 81 -9.774 -8.510 -21.303 647 1HZ LYS 81 1HZ LYS 81 -9.022 -10.700 -20.370 648 2HZ LYS 81 2HZ LYS 81 -9.795 -10.747 -21.884 649 3HZ LYS 81 3HZ LYS 81 -10.639 -11.208 -20.483 650 H TYR 82 H TYR 82 -12.633 -6.191 -18.189 651 HA TYR 82 HA TYR 82 -15.434 -6.983 -17.714 652 1HB TYR 82 1HB TYR 82 -14.827 -4.569 -17.913 653 2HB TYR 82 2HB TYR 82 -14.235 -4.848 -19.542 654 HD1 TYR 82 HD1 TYR 82 -15.733 -4.455 -21.315 655 HD2 TYR 82 HD2 TYR 82 -17.336 -5.442 -17.491 656 HE1 TYR 82 HE1 TYR 82 -17.999 -4.127 -22.175 657 HE2 TYR 82 HE2 TYR 82 -19.601 -5.113 -18.359 658 HH TYR 82 HH TYR 82 -20.742 -5.196 -20.596 659 H LEU 83 H LEU 83 -16.579 -8.226 -19.029 660 HA LEU 83 HA LEU 83 -15.512 -8.966 -21.725 661 1HB LEU 83 1HB LEU 83 -16.777 -10.819 -19.647 662 2HB LEU 83 2HB LEU 83 -16.299 -11.309 -21.259 663 HG LEU 83 HG LEU 83 -14.353 -10.212 -19.166 664 1HD1 LEU 83 1HD1 LEU 83 -13.601 -12.567 -18.948 665 2HD1 LEU 83 2HD1 LEU 83 -14.862 -13.085 -20.056 666 3HD1 LEU 83 3HD1 LEU 83 -15.288 -12.412 -18.490 667 1HD2 LEU 83 1HD2 LEU 83 -12.621 -11.099 -20.719 668 2HD2 LEU 83 2HD2 LEU 83 -13.594 -9.900 -21.544 669 3HD2 LEU 83 3HD2 LEU 83 -13.866 -11.607 -21.846 670 H LYS 84 H LYS 84 -17.089 -7.014 -21.785 671 HA LYS 84 HA LYS 84 -19.069 -6.140 -22.627 672 1HB LYS 84 1HB LYS 84 -19.589 -9.025 -23.512 673 2HB LYS 84 2HB LYS 84 -20.331 -7.594 -24.184 674 1HG LYS 84 1HG LYS 84 -17.353 -8.232 -24.294 675 2HG LYS 84 2HG LYS 84 -18.484 -8.392 -25.620 676 1HD LYS 84 1HD LYS 84 -18.940 -5.928 -25.524 677 2HD LYS 84 2HD LYS 84 -17.763 -5.768 -24.229 678 1HE LYS 84 1HE LYS 84 -15.981 -6.646 -25.714 679 2HE LYS 84 2HE LYS 84 -17.146 -6.770 -27.028 680 1HZ LYS 84 1HZ LYS 84 -16.428 -4.275 -25.601 681 2HZ LYS 84 2HZ LYS 84 -17.517 -4.408 -26.898 682 3HZ LYS 84 3HZ LYS 84 -15.868 -4.734 -27.137 Start of MODEL 12 1 1H GLY 1 1H GLY 1 4.947 -23.048 -17.706 2 2H GLY 1 2H GLY 1 6.108 -24.275 -17.893 3 3H GLY 1 3H GLY 1 6.227 -23.183 -16.596 4 1HA GLY 1 1HA GLY 1 4.041 -24.037 -15.787 5 2HA GLY 1 2HA GLY 1 4.207 -25.309 -16.999 6 H SER 2 H SER 2 6.698 -23.773 -15.056 7 HA SER 2 HA SER 2 7.023 -26.031 -13.233 8 1HB SER 2 1HB SER 2 8.211 -26.901 -15.281 9 2HB SER 2 2HB SER 2 9.221 -25.449 -15.312 10 HG SER 2 HG SER 2 8.965 -27.307 -13.185 11 H MET 3 H MET 3 9.054 -23.491 -14.654 12 HA MET 3 HA MET 3 9.781 -22.511 -11.949 13 1HB MET 3 1HB MET 3 11.453 -22.879 -13.907 14 2HB MET 3 2HB MET 3 10.748 -21.462 -14.655 15 1HG MET 3 1HG MET 3 12.077 -21.601 -11.933 16 2HG MET 3 2HG MET 3 12.772 -20.903 -13.364 17 1HE MET 3 1HE MET 3 11.293 -18.908 -14.663 18 2HE MET 3 2HE MET 3 12.827 -18.485 -13.860 19 3HE MET 3 3HE MET 3 11.405 -17.468 -13.671 20 H ALA 4 H ALA 4 7.395 -22.077 -11.870 21 HA ALA 4 HA ALA 4 6.888 -19.222 -12.337 22 1HB ALA 4 1HB ALA 4 5.086 -21.388 -13.541 23 2HB ALA 4 2HB ALA 4 6.098 -20.289 -14.463 24 3HB ALA 4 3HB ALA 4 4.735 -19.666 -13.548 25 H GLN 5 H GLN 5 7.189 -19.565 -10.058 26 HA GLN 5 HA GLN 5 5.315 -21.055 -8.447 27 1HB GLN 5 1HB GLN 5 7.255 -18.801 -7.761 28 2HB GLN 5 2HB GLN 5 6.328 -19.673 -6.557 29 1HG GLN 5 1HG GLN 5 8.580 -20.652 -6.713 30 2HG GLN 5 2HG GLN 5 7.405 -21.819 -7.292 31 1HE2 GLN 5 1HE2 GLN 5 7.659 -22.591 -9.411 32 2HE2 GLN 5 2HE2 GLN 5 8.812 -22.001 -10.505 33 H ALA 6 H ALA 6 3.263 -20.577 -8.360 34 HA ALA 6 HA ALA 6 2.369 -17.815 -7.776 35 1HB ALA 6 1HB ALA 6 2.238 -18.029 -10.249 36 2HB ALA 6 2HB ALA 6 0.627 -17.929 -9.555 37 3HB ALA 6 3HB ALA 6 1.266 -19.481 -10.080 38 H GLY 7 H GLY 7 0.405 -17.690 -6.773 39 1HA GLY 7 1HA GLY 7 -1.694 -19.267 -6.283 40 2HA GLY 7 2HA GLY 7 -0.473 -20.127 -5.335 41 H GLU 8 H GLU 8 -0.575 -16.698 -5.860 42 HA GLU 8 HA GLU 8 -1.522 -16.144 -3.106 43 1HB GLU 8 1HB GLU 8 0.424 -14.587 -2.775 44 2HB GLU 8 2HB GLU 8 0.909 -16.264 -2.956 45 1HG GLU 8 1HG GLU 8 1.413 -15.854 -5.391 46 2HG GLU 8 2HG GLU 8 0.974 -14.170 -5.180 47 H VAL 9 H VAL 9 -2.535 -14.257 -2.852 48 HA VAL 9 HA VAL 9 -3.440 -12.866 -5.289 49 HB VAL 9 HB VAL 9 -5.024 -11.717 -3.547 50 1HG1 VAL 9 1HG1 VAL 9 -5.085 -14.751 -3.894 51 2HG1 VAL 9 2HG1 VAL 9 -5.716 -13.583 -5.041 52 3HG1 VAL 9 3HG1 VAL 9 -6.464 -13.750 -3.463 53 1HG2 VAL 9 1HG2 VAL 9 -4.011 -14.009 -1.775 54 2HG2 VAL 9 2HG2 VAL 9 -5.312 -12.908 -1.395 55 3HG2 VAL 9 3HG2 VAL 9 -3.668 -12.319 -1.488 56 H VAL 10 H VAL 10 -2.235 -11.323 -5.998 57 HA VAL 10 HA VAL 10 -0.577 -9.641 -4.226 58 HB VAL 10 HB VAL 10 0.463 -8.837 -6.300 59 1HG1 VAL 10 1HG1 VAL 10 1.254 -11.048 -5.533 60 2HG1 VAL 10 2HG1 VAL 10 1.283 -10.969 -7.277 61 3HG1 VAL 10 3HG1 VAL 10 -0.001 -11.846 -6.464 62 1HG2 VAL 10 1HG2 VAL 10 -1.523 -8.635 -7.751 63 2HG2 VAL 10 2HG2 VAL 10 -1.681 -10.385 -7.814 64 3HG2 VAL 10 3HG2 VAL 10 -0.292 -9.592 -8.538 65 H LEU 11 H LEU 11 -0.831 -7.462 -3.964 66 HA LEU 11 HA LEU 11 -3.242 -6.139 -5.129 67 1HB LEU 11 1HB LEU 11 -2.140 -5.695 -2.332 68 2HB LEU 11 2HB LEU 11 -3.591 -4.995 -3.016 69 HG LEU 11 HG LEU 11 -3.206 -7.949 -2.465 70 1HD1 LEU 11 1HD1 LEU 11 -4.834 -7.456 -0.598 71 2HD1 LEU 11 2HD1 LEU 11 -4.771 -5.757 -1.024 72 3HD1 LEU 11 3HD1 LEU 11 -3.331 -6.564 -0.423 73 1HD2 LEU 11 1HD2 LEU 11 -5.683 -6.371 -3.322 74 2HD2 LEU 11 2HD2 LEU 11 -5.644 -8.087 -2.938 75 3HD2 LEU 11 3HD2 LEU 11 -4.803 -7.486 -4.350 76 H LYS 12 H LYS 12 -3.063 -3.923 -5.431 77 HA LYS 12 HA LYS 12 -0.468 -2.540 -5.069 78 1HB LYS 12 1HB LYS 12 -0.412 -3.696 -7.322 79 2HB LYS 12 2HB LYS 12 -1.783 -2.704 -7.795 80 1HG LYS 12 1HG LYS 12 -0.531 -0.642 -7.382 81 2HG LYS 12 2HG LYS 12 0.820 -1.538 -6.705 82 1HD LYS 12 1HD LYS 12 1.088 -2.718 -8.847 83 2HD LYS 12 2HD LYS 12 -0.231 -1.751 -9.509 84 1HE LYS 12 1HE LYS 12 2.385 -0.614 -8.417 85 2HE LYS 12 2HE LYS 12 2.021 -0.802 -10.125 86 1HZ LYS 12 1HZ LYS 12 0.126 0.671 -9.841 87 2HZ LYS 12 2HZ LYS 12 1.584 1.430 -9.409 88 3HZ LYS 12 3HZ LYS 12 0.525 0.881 -8.203 89 H MET 13 H MET 13 -1.125 -0.952 -3.958 90 HA MET 13 HA MET 13 -3.432 0.724 -4.842 91 1HB MET 13 1HB MET 13 -2.534 0.145 -2.015 92 2HB MET 13 2HB MET 13 -3.841 1.220 -2.458 93 1HG MET 13 1HG MET 13 -4.743 -0.920 -1.718 94 2HG MET 13 2HG MET 13 -5.108 -0.635 -3.394 95 1HE MET 13 1HE MET 13 -2.960 -3.574 -1.105 96 2HE MET 13 2HE MET 13 -2.465 -1.889 -1.174 97 3HE MET 13 3HE MET 13 -1.602 -3.068 -2.133 98 H LYS 14 H LYS 14 -3.114 2.852 -4.827 99 HA LYS 14 HA LYS 14 -0.381 3.860 -4.141 100 1HB LYS 14 1HB LYS 14 -0.996 3.974 -6.544 101 2HB LYS 14 2HB LYS 14 -2.344 4.989 -6.073 102 1HG LYS 14 1HG LYS 14 -0.770 6.667 -5.084 103 2HG LYS 14 2HG LYS 14 0.586 5.633 -5.461 104 1HD LYS 14 1HD LYS 14 0.593 7.349 -7.098 105 2HD LYS 14 2HD LYS 14 0.006 5.933 -7.928 106 1HE LYS 14 1HE LYS 14 -1.775 8.139 -6.789 107 2HE LYS 14 2HE LYS 14 -1.301 8.013 -8.473 108 1HZ LYS 14 1HZ LYS 14 -3.336 6.626 -7.055 109 2HZ LYS 14 2HZ LYS 14 -2.317 5.567 -7.905 110 3HZ LYS 14 3HZ LYS 14 -3.114 6.818 -8.727 111 H VAL 15 H VAL 15 -0.527 4.668 -2.189 112 HA VAL 15 HA VAL 15 -2.838 5.907 -1.069 113 HB VAL 15 HB VAL 15 -0.035 5.234 -0.279 114 1HG1 VAL 15 1HG1 VAL 15 -1.613 7.253 1.352 115 2HG1 VAL 15 2HG1 VAL 15 -0.101 7.595 0.520 116 3HG1 VAL 15 3HG1 VAL 15 -0.132 6.462 1.858 117 1HG2 VAL 15 1HG2 VAL 15 -2.681 5.049 1.138 118 2HG2 VAL 15 2HG2 VAL 15 -1.157 4.325 1.653 119 3HG2 VAL 15 3HG2 VAL 15 -1.937 3.770 0.177 120 H GLU 16 H GLU 16 -2.974 7.882 -0.081 121 HA GLU 16 HA GLU 16 -2.163 10.123 -1.845 122 1HB GLU 16 1HB GLU 16 -4.552 9.977 -1.052 123 2HB GLU 16 2HB GLU 16 -3.993 10.009 0.611 124 1HG GLU 16 1HG GLU 16 -2.878 12.257 0.086 125 2HG GLU 16 2HG GLU 16 -3.684 12.210 -1.471 126 H GLY 17 H GLY 17 -0.123 10.757 -1.347 127 1HA GLY 17 1HA GLY 17 1.258 10.275 1.060 128 2HA GLY 17 2HA GLY 17 1.741 11.468 -0.129 129 H MET 18 H MET 18 -1.125 12.565 0.437 130 HA MET 18 HA MET 18 -2.173 14.162 1.697 131 1HB MET 18 1HB MET 18 -1.577 12.538 3.603 132 2HB MET 18 2HB MET 18 -0.182 13.551 3.925 133 1HG MET 18 1HG MET 18 -1.964 14.229 5.377 134 2HG MET 18 2HG MET 18 -1.638 15.494 4.222 135 1HE MET 18 1HE MET 18 -5.393 12.999 4.739 136 2HE MET 18 2HE MET 18 -3.912 12.930 5.650 137 3HE MET 18 3HE MET 18 -3.993 12.205 4.029 138 H THR 19 H THR 19 -2.009 16.252 1.554 139 HA THR 19 HA THR 19 0.542 17.520 0.881 140 HB THR 19 HB THR 19 -1.463 17.976 -0.491 141 HG1 THR 19 HG1 THR 19 -1.081 20.318 0.999 142 1HG2 THR 19 1HG2 THR 19 -2.667 19.266 2.028 143 2HG2 THR 19 2HG2 THR 19 -3.226 17.754 1.333 144 3HG2 THR 19 3HG2 THR 19 -3.380 19.246 0.425 145 H CYS 20 H CYS 20 0.729 16.744 3.483 146 HA CYS 20 HA CYS 20 1.301 19.233 4.813 147 1HB CYS 20 1HB CYS 20 -0.143 18.926 6.761 148 2HB CYS 20 2HB CYS 20 -1.118 19.042 5.329 149 H HIS 21 H HIS 21 0.738 15.785 5.417 150 HA HIS 21 HA HIS 21 3.497 15.313 6.154 151 1HB HIS 21 1HB HIS 21 2.707 16.385 8.280 152 2HB HIS 21 2HB HIS 21 1.402 15.214 8.387 153 HD1 HIS 21 HD1 HIS 21 2.264 12.693 8.719 154 HD2 HIS 21 HD2 HIS 21 5.156 15.521 9.274 155 HE1 HIS 21 HE1 HIS 21 4.117 11.570 9.900 156 H SER 22 H SER 22 3.987 13.171 6.199 157 HA SER 22 HA SER 22 1.804 11.284 5.423 158 1HB SER 22 1HB SER 22 4.805 11.005 4.953 159 2HB SER 22 2HB SER 22 3.527 9.970 4.302 160 HG SER 22 HG SER 22 2.932 12.543 3.842 161 H CYS 23 H CYS 23 1.101 10.413 7.300 162 HA CYS 23 HA CYS 23 2.993 9.553 9.408 163 1HB CYS 23 1HB CYS 23 0.851 10.691 9.970 164 2HB CYS 23 2HB CYS 23 -0.037 9.400 9.210 165 H THR 24 H THR 24 3.374 8.315 7.003 166 HA THR 24 HA THR 24 2.046 5.731 6.919 167 HB THR 24 HB THR 24 3.597 5.327 4.969 168 HG1 THR 24 HG1 THR 24 4.584 7.831 5.889 169 1HG2 THR 24 1HG2 THR 24 2.540 8.232 4.993 170 2HG2 THR 24 2HG2 THR 24 1.544 6.864 4.551 171 3HG2 THR 24 3HG2 THR 24 2.914 7.308 3.555 172 H SER 25 H SER 25 4.561 6.912 8.757 173 HA SER 25 HA SER 25 6.415 4.752 8.810 174 1HB SER 25 1HB SER 25 6.841 6.968 9.931 175 2HB SER 25 2HB SER 25 5.598 6.587 11.132 176 HG SER 25 HG SER 25 6.769 4.750 11.692 177 H THR 26 H THR 26 3.410 5.340 10.468 178 HA THR 26 HA THR 26 3.448 3.023 12.160 179 HB THR 26 HB THR 26 0.989 3.645 12.541 180 HG1 THR 26 HG1 THR 26 0.708 4.255 10.338 181 1HG2 THR 26 1HG2 THR 26 2.784 6.135 12.325 182 2HG2 THR 26 2HG2 THR 26 2.811 5.049 13.706 183 3HG2 THR 26 3HG2 THR 26 1.359 5.965 13.336 184 H ILE 27 H ILE 27 2.249 3.731 8.961 185 HA ILE 27 HA ILE 27 0.610 1.429 8.576 186 HB ILE 27 HB ILE 27 2.162 3.106 6.536 187 1HG1 ILE 27 1HG1 ILE 27 -0.724 3.275 7.528 188 2HG1 ILE 27 2HG1 ILE 27 0.543 4.406 7.940 189 1HG2 ILE 27 1HG2 ILE 27 1.508 0.919 5.599 190 2HG2 ILE 27 2HG2 ILE 27 0.555 2.186 4.871 191 3HG2 ILE 27 3HG2 ILE 27 -0.148 1.171 6.126 192 1HD1 ILE 27 1HD1 ILE 27 0.757 5.022 5.510 193 2HD1 ILE 27 2HD1 ILE 27 -0.845 5.336 6.147 194 3HD1 ILE 27 3HD1 ILE 27 -0.559 3.938 5.134 195 H GLU 28 H GLU 28 4.061 1.970 8.151 196 HA GLU 28 HA GLU 28 4.831 -0.263 6.721 197 1HB GLU 28 1HB GLU 28 6.152 1.772 7.591 198 2HB GLU 28 2HB GLU 28 6.342 0.908 9.087 199 1HG GLU 28 1HG GLU 28 7.237 -0.109 6.383 200 2HG GLU 28 2HG GLU 28 8.279 0.614 7.600 201 H GLY 29 H GLY 29 5.016 0.020 10.207 202 1HA GLY 29 1HA GLY 29 5.438 -2.750 10.765 203 2HA GLY 29 2HA GLY 29 4.940 -1.544 11.941 204 H LYS 30 H LYS 30 2.515 -0.922 10.330 205 HA LYS 30 HA LYS 30 0.729 -2.778 11.630 206 1HB LYS 30 1HB LYS 30 0.117 -0.393 11.097 207 2HB LYS 30 2HB LYS 30 0.162 -0.771 9.390 208 1HG LYS 30 1HG LYS 30 -2.161 -0.778 10.206 209 2HG LYS 30 2HG LYS 30 -1.714 -2.385 9.675 210 1HD LYS 30 1HD LYS 30 -1.312 -3.071 12.039 211 2HD LYS 30 2HD LYS 30 -1.663 -1.441 12.586 212 1HE LYS 30 1HE LYS 30 -3.981 -1.662 11.713 213 2HE LYS 30 2HE LYS 30 -3.614 -3.285 11.134 214 1HZ LYS 30 1HZ LYS 30 -4.741 -3.282 13.271 215 2HZ LYS 30 2HZ LYS 30 -3.459 -2.405 13.959 216 3HZ LYS 30 3HZ LYS 30 -3.196 -3.979 13.377 217 H ILE 31 H ILE 31 1.887 -2.336 8.380 218 HA ILE 31 HA ILE 31 0.364 -4.502 7.232 219 HB ILE 31 HB ILE 31 2.684 -2.793 6.225 220 1HG1 ILE 31 1HG1 ILE 31 -0.293 -2.901 5.524 221 2HG1 ILE 31 2HG1 ILE 31 0.450 -1.683 6.530 222 1HG2 ILE 31 1HG2 ILE 31 2.762 -5.030 5.109 223 2HG2 ILE 31 2HG2 ILE 31 2.296 -3.775 3.993 224 3HG2 ILE 31 3HG2 ILE 31 1.075 -4.853 4.663 225 1HD1 ILE 31 1HD1 ILE 31 1.053 -2.148 3.574 226 2HD1 ILE 31 2HD1 ILE 31 1.866 -0.966 4.586 227 3HD1 ILE 31 3HD1 ILE 31 0.148 -0.813 4.253 228 H GLY 32 H GLY 32 3.473 -4.113 8.714 229 1HA GLY 32 1HA GLY 32 4.658 -6.552 7.813 230 2HA GLY 32 2HA GLY 32 5.221 -5.566 9.157 231 H LYS 33 H LYS 33 2.277 -5.791 10.033 232 HA LYS 33 HA LYS 33 2.650 -8.013 11.856 233 1HB LYS 33 1HB LYS 33 1.948 -5.802 12.578 234 2HB LYS 33 2HB LYS 33 0.460 -6.015 11.672 235 1HG LYS 33 1HG LYS 33 -0.260 -7.841 13.092 236 2HG LYS 33 2HG LYS 33 1.323 -7.951 13.856 237 1HD LYS 33 1HD LYS 33 1.041 -5.700 14.778 238 2HD LYS 33 2HD LYS 33 -0.512 -5.536 13.964 239 1HE LYS 33 1HE LYS 33 -1.393 -7.466 15.299 240 2HE LYS 33 2HE LYS 33 0.162 -7.607 16.110 241 1HZ LYS 33 1HZ LYS 33 -0.115 -5.368 16.952 242 2HZ LYS 33 2HZ LYS 33 -1.401 -6.369 17.431 243 3HZ LYS 33 3HZ LYS 33 -1.622 -5.246 16.178 244 H LEU 34 H LEU 34 1.329 -7.685 8.828 245 HA LEU 34 HA LEU 34 -1.024 -9.230 9.093 246 1HB LEU 34 1HB LEU 34 0.634 -8.241 6.790 247 2HB LEU 34 2HB LEU 34 -0.706 -9.323 6.509 248 HG LEU 34 HG LEU 34 -1.100 -6.782 8.136 249 1HD1 LEU 34 1HD1 LEU 34 -0.209 -6.168 5.875 250 2HD1 LEU 34 2HD1 LEU 34 -1.899 -5.723 6.028 251 3HD1 LEU 34 3HD1 LEU 34 -1.439 -7.157 5.126 252 1HD2 LEU 34 1HD2 LEU 34 -2.856 -8.600 8.232 253 2HD2 LEU 34 2HD2 LEU 34 -2.951 -8.588 6.481 254 3HD2 LEU 34 3HD2 LEU 34 -3.474 -7.195 7.397 255 H GLN 35 H GLN 35 -1.193 -11.310 9.354 256 HA GLN 35 HA GLN 35 1.051 -13.100 8.926 257 1HB GLN 35 1HB GLN 35 -0.442 -14.804 9.947 258 2HB GLN 35 2HB GLN 35 -0.376 -13.355 10.927 259 1HG GLN 35 1HG GLN 35 -2.555 -12.595 9.873 260 2HG GLN 35 2HG GLN 35 -2.627 -14.127 9.014 261 1HE2 GLN 35 1HE2 GLN 35 -2.138 -16.091 10.699 262 2HE2 GLN 35 2HE2 GLN 35 -3.092 -16.020 12.102 263 H GLY 36 H GLY 36 1.234 -14.566 7.311 264 1HA GLY 36 1HA GLY 36 0.557 -15.955 5.520 265 2HA GLY 36 2HA GLY 36 -0.965 -15.082 5.461 266 H VAL 37 H VAL 37 1.089 -12.666 5.703 267 HA VAL 37 HA VAL 37 0.957 -11.954 2.922 268 HB VAL 37 HB VAL 37 2.180 -10.699 5.439 269 1HG1 VAL 37 1HG1 VAL 37 3.126 -8.862 4.095 270 2HG1 VAL 37 2HG1 VAL 37 2.689 -9.677 2.600 271 3HG1 VAL 37 3HG1 VAL 37 3.942 -10.343 3.635 272 1HG2 VAL 37 1HG2 VAL 37 0.708 -8.879 4.682 273 2HG2 VAL 37 2HG2 VAL 37 -0.188 -10.398 4.731 274 3HG2 VAL 37 3HG2 VAL 37 0.364 -9.744 3.199 275 H GLN 38 H GLN 38 2.211 -12.462 1.328 276 HA GLN 38 HA GLN 38 4.620 -14.104 1.793 277 1HB GLN 38 1HB GLN 38 3.290 -13.257 -0.847 278 2HB GLN 38 2HB GLN 38 4.507 -14.500 -0.661 279 1HG GLN 38 1HG GLN 38 1.679 -14.584 0.492 280 2HG GLN 38 2HG GLN 38 2.254 -15.515 -0.869 281 1HE2 GLN 38 1HE2 GLN 38 2.576 -15.074 2.611 282 2HE2 GLN 38 2HE2 GLN 38 3.224 -16.613 2.941 283 H ARG 39 H ARG 39 3.973 -11.576 -0.563 284 HA ARG 39 HA ARG 39 6.679 -10.447 -0.033 285 1HB ARG 39 1HB ARG 39 5.934 -11.022 -2.433 286 2HB ARG 39 2HB ARG 39 4.765 -9.731 -2.300 287 1HG ARG 39 1HG ARG 39 6.672 -8.911 -3.516 288 2HG ARG 39 2HG ARG 39 6.521 -8.050 -2.005 289 1HD ARG 39 1HD ARG 39 8.353 -10.454 -2.222 290 2HD ARG 39 2HD ARG 39 8.901 -8.869 -2.744 291 HE ARG 39 HE ARG 39 8.200 -8.111 -0.373 292 1HH1 ARG 39 1HH1 ARG 39 9.419 -11.299 -1.088 293 2HH1 ARG 39 2HH1 ARG 39 10.041 -11.511 0.510 294 1HH2 ARG 39 1HH2 ARG 39 8.982 -8.386 1.617 295 2HH2 ARG 39 2HH2 ARG 39 9.796 -9.849 2.060 296 H ILE 40 H ILE 40 6.897 -8.181 0.219 297 HA ILE 40 HA ILE 40 4.558 -6.538 0.815 298 HB ILE 40 HB ILE 40 4.866 -7.707 2.938 299 1HG1 ILE 40 1HG1 ILE 40 6.019 -4.885 3.056 300 2HG1 ILE 40 2HG1 ILE 40 4.326 -5.303 3.053 301 1HG2 ILE 40 1HG2 ILE 40 7.179 -8.514 2.657 302 2HG2 ILE 40 2HG2 ILE 40 6.993 -7.737 4.208 303 3HG2 ILE 40 3HG2 ILE 40 7.813 -6.898 2.913 304 1HD1 ILE 40 1HD1 ILE 40 5.072 -4.795 5.348 305 2HD1 ILE 40 2HD1 ILE 40 6.294 -6.044 5.264 306 3HD1 ILE 40 3HD1 ILE 40 4.592 -6.480 5.234 307 H LYS 41 H LYS 41 5.049 -4.756 -0.283 308 HA LYS 41 HA LYS 41 7.623 -3.423 0.108 309 1HB LYS 41 1HB LYS 41 8.071 -3.348 -2.407 310 2HB LYS 41 2HB LYS 41 8.356 -4.890 -1.639 311 1HG LYS 41 1HG LYS 41 6.853 -5.934 -2.949 312 2HG LYS 41 2HG LYS 41 5.582 -4.807 -2.534 313 1HD LYS 41 1HD LYS 41 6.370 -3.228 -4.244 314 2HD LYS 41 2HD LYS 41 7.723 -4.277 -4.630 315 1HE LYS 41 1HE LYS 41 4.796 -5.085 -4.909 316 2HE LYS 41 2HE LYS 41 5.807 -4.549 -6.242 317 1HZ LYS 41 1HZ LYS 41 5.896 -6.850 -6.293 318 2HZ LYS 41 2HZ LYS 41 6.056 -6.990 -4.609 319 3HZ LYS 41 3HZ LYS 41 7.351 -6.406 -5.538 320 H VAL 42 H VAL 42 7.038 -1.495 0.502 321 HA VAL 42 HA VAL 42 4.777 -0.246 -0.978 322 HB VAL 42 HB VAL 42 6.010 0.569 1.701 323 1HG1 VAL 42 1HG1 VAL 42 3.404 1.432 0.367 324 2HG1 VAL 42 2HG1 VAL 42 4.838 2.419 0.526 325 3HG1 VAL 42 3HG1 VAL 42 3.955 1.918 1.957 326 1HG2 VAL 42 1HG2 VAL 42 3.989 -0.440 2.747 327 2HG2 VAL 42 2HG2 VAL 42 4.917 -1.659 1.894 328 3HG2 VAL 42 3HG2 VAL 42 3.452 -1.013 1.177 329 H SER 43 H SER 43 4.973 1.726 -1.808 330 HA SER 43 HA SER 43 7.704 2.549 -2.656 331 1HB SER 43 1HB SER 43 5.716 2.304 -4.271 332 2HB SER 43 2HB SER 43 5.041 3.747 -3.495 333 HG SER 43 HG SER 43 6.681 4.935 -4.191 334 H LEU 44 H LEU 44 7.776 4.992 -3.000 335 HA LEU 44 HA LEU 44 7.476 6.322 -0.336 336 1HB LEU 44 1HB LEU 44 9.251 7.060 -2.707 337 2HB LEU 44 2HB LEU 44 9.289 7.829 -1.134 338 HG LEU 44 HG LEU 44 9.960 4.888 -1.655 339 1HD1 LEU 44 1HD1 LEU 44 12.298 5.588 -1.194 340 2HD1 LEU 44 2HD1 LEU 44 11.778 7.258 -1.034 341 3HD1 LEU 44 3HD1 LEU 44 11.659 6.444 -2.585 342 1HD2 LEU 44 1HD2 LEU 44 10.248 6.574 0.879 343 2HD2 LEU 44 2HD2 LEU 44 10.780 4.912 0.695 344 3HD2 LEU 44 3HD2 LEU 44 9.071 5.289 0.655 345 H ASP 45 H ASP 45 7.400 8.829 -0.743 346 HA ASP 45 HA ASP 45 6.047 10.639 -1.253 347 1HB ASP 45 1HB ASP 45 5.987 9.307 -4.024 348 2HB ASP 45 2HB ASP 45 5.581 10.979 -3.686 349 H ASN 46 H ASN 46 4.328 8.610 -3.551 350 HA ASN 46 HA ASN 46 1.782 9.148 -2.212 351 1HB ASN 46 1HB ASN 46 2.410 7.412 -4.640 352 2HB ASN 46 2HB ASN 46 0.806 7.892 -4.115 353 1HD2 ASN 46 1HD2 ASN 46 3.949 9.532 -4.862 354 2HD2 ASN 46 2HD2 ASN 46 3.231 10.824 -5.698 355 H GLN 47 H GLN 47 4.067 7.254 -1.270 356 HA GLN 47 HA GLN 47 4.369 5.143 -0.399 357 1HB GLN 47 1HB GLN 47 3.197 6.819 1.194 358 2HB GLN 47 2HB GLN 47 1.742 5.925 0.872 359 1HG GLN 47 1HG GLN 47 2.657 5.025 2.940 360 2HG GLN 47 2HG GLN 47 2.975 3.821 1.711 361 1HE2 GLN 47 1HE2 GLN 47 4.671 6.906 2.547 362 2HE2 GLN 47 2HE2 GLN 47 6.195 6.185 2.747 363 H GLU 48 H GLU 48 3.502 4.669 -2.771 364 HA GLU 48 HA GLU 48 1.072 3.181 -3.017 365 1HB GLU 48 1HB GLU 48 2.315 4.194 -4.959 366 2HB GLU 48 2HB GLU 48 3.578 3.000 -4.767 367 1HG GLU 48 1HG GLU 48 1.933 1.166 -5.198 368 2HG GLU 48 2HG GLU 48 0.673 2.367 -5.420 369 H ALA 49 H ALA 49 0.883 1.765 -1.468 370 HA ALA 49 HA ALA 49 2.848 -0.249 -0.827 371 1HB ALA 49 1HB ALA 49 1.031 -1.096 0.667 372 2HB ALA 49 2HB ALA 49 -0.099 0.006 -0.111 373 3HB ALA 49 3HB ALA 49 1.239 0.641 0.832 374 H THR 50 H THR 50 3.081 -2.273 -1.690 375 HA THR 50 HA THR 50 0.876 -3.362 -3.356 376 HB THR 50 HB THR 50 3.830 -3.164 -4.144 377 HG1 THR 50 HG1 THR 50 1.466 -1.740 -4.715 378 1HG2 THR 50 1HG2 THR 50 2.970 -3.887 -6.407 379 2HG2 THR 50 2HG2 THR 50 1.321 -3.862 -5.824 380 3HG2 THR 50 3HG2 THR 50 2.426 -5.103 -5.263 381 H ILE 51 H ILE 51 0.715 -4.384 -1.219 382 HA ILE 51 HA ILE 51 2.676 -6.416 -0.456 383 HB ILE 51 HB ILE 51 -0.065 -5.649 0.605 384 1HG1 ILE 51 1HG1 ILE 51 1.085 -4.930 2.565 385 2HG1 ILE 51 2HG1 ILE 51 2.618 -5.563 2.001 386 1HG2 ILE 51 1HG2 ILE 51 0.348 -7.223 2.500 387 2HG2 ILE 51 2HG2 ILE 51 1.773 -7.830 1.677 388 3HG2 ILE 51 3HG2 ILE 51 0.176 -8.090 0.989 389 1HD1 ILE 51 1HD1 ILE 51 2.470 -3.115 1.776 390 2HD1 ILE 51 2HD1 ILE 51 1.064 -3.300 0.728 391 3HD1 ILE 51 3HD1 ILE 51 2.650 -3.874 0.209 392 H VAL 52 H VAL 52 2.332 -8.632 -0.476 393 HA VAL 52 HA VAL 52 0.187 -9.725 -2.183 394 HB VAL 52 HB VAL 52 3.074 -10.609 -1.913 395 1HG1 VAL 52 1HG1 VAL 52 1.639 -12.510 -2.246 396 2HG1 VAL 52 2HG1 VAL 52 2.542 -12.194 -3.714 397 3HG1 VAL 52 3HG1 VAL 52 0.841 -11.735 -3.603 398 1HG2 VAL 52 1HG2 VAL 52 3.302 -9.903 -4.319 399 2HG2 VAL 52 2HG2 VAL 52 2.894 -8.543 -3.292 400 3HG2 VAL 52 3HG2 VAL 52 1.656 -9.290 -4.281 401 H TYR 53 H TYR 53 -0.575 -11.737 -1.448 402 HA TYR 53 HA TYR 53 0.513 -12.974 0.944 403 1HB TYR 53 1HB TYR 53 -1.391 -12.494 2.423 404 2HB TYR 53 2HB TYR 53 -0.716 -10.986 1.882 405 HD1 TYR 53 HD1 TYR 53 -1.882 -9.986 -0.344 406 HD2 TYR 53 HD2 TYR 53 -3.692 -12.762 2.339 407 HE1 TYR 53 HE1 TYR 53 -4.096 -9.314 -1.118 408 HE2 TYR 53 HE2 TYR 53 -5.906 -12.069 1.557 409 HH TYR 53 HH TYR 53 -6.656 -9.480 0.251 410 H GLN 54 H GLN 54 -0.744 -14.872 1.539 411 HA GLN 54 HA GLN 54 -1.731 -16.209 -0.854 412 1HB GLN 54 1HB GLN 54 -2.244 -18.106 0.883 413 2HB GLN 54 2HB GLN 54 -0.601 -17.724 0.432 414 1HG GLN 54 1HG GLN 54 -0.918 -18.010 2.854 415 2HG GLN 54 2HG GLN 54 -0.268 -16.441 2.401 416 1HE2 GLN 54 1HE2 GLN 54 -1.422 -14.620 3.106 417 2HE2 GLN 54 2HE2 GLN 54 -2.948 -14.664 3.840 418 HA PRO 55 HA PRO 55 -5.962 -15.261 -0.248 419 1HB PRO 55 1HB PRO 55 -7.220 -17.273 -1.661 420 2HB PRO 55 2HB PRO 55 -6.259 -15.998 -2.384 421 1HG PRO 55 1HG PRO 55 -5.584 -18.859 -2.040 422 2HG PRO 55 2HG PRO 55 -4.913 -17.688 -3.168 423 1HD PRO 55 1HD PRO 55 -3.764 -18.587 -0.649 424 2HD PRO 55 2HD PRO 55 -3.082 -17.436 -1.816 425 H HIS 56 H HIS 56 -5.142 -16.528 2.231 426 HA HIS 56 HA HIS 56 -7.794 -17.441 3.074 427 1HB HIS 56 1HB HIS 56 -7.122 -19.693 3.803 428 2HB HIS 56 2HB HIS 56 -6.913 -19.494 2.074 429 HD1 HIS 56 HD1 HIS 56 -4.470 -19.642 1.252 430 HD2 HIS 56 HD2 HIS 56 -4.767 -19.689 5.315 431 HE1 HIS 56 HE1 HIS 56 -2.227 -20.245 2.093 432 H LEU 57 H LEU 57 -4.905 -15.992 4.177 433 HA LEU 57 HA LEU 57 -5.410 -16.810 6.951 434 1HB LEU 57 1HB LEU 57 -3.207 -15.321 5.577 435 2HB LEU 57 2HB LEU 57 -3.578 -14.721 7.161 436 HG LEU 57 HG LEU 57 -1.813 -16.235 7.500 437 1HD1 LEU 57 1HD1 LEU 57 -2.706 -18.036 8.893 438 2HD1 LEU 57 2HD1 LEU 57 -4.297 -17.849 8.202 439 3HD1 LEU 57 3HD1 LEU 57 -3.610 -16.555 9.170 440 1HD2 LEU 57 1HD2 LEU 57 -3.294 -18.239 5.833 441 2HD2 LEU 57 2HD2 LEU 57 -1.795 -18.572 6.683 442 3HD2 LEU 57 3HD2 LEU 57 -1.816 -17.407 5.376 443 H ILE 58 H ILE 58 -5.230 -13.793 5.155 444 HA ILE 58 HA ILE 58 -7.605 -12.724 6.390 445 HB ILE 58 HB ILE 58 -6.059 -12.389 8.249 446 1HG1 ILE 58 1HG1 ILE 58 -6.496 -9.690 6.889 447 2HG1 ILE 58 2HG1 ILE 58 -7.769 -10.583 7.701 448 1HG2 ILE 58 1HG2 ILE 58 -3.979 -10.995 7.978 449 2HG2 ILE 58 2HG2 ILE 58 -4.310 -10.838 6.263 450 3HG2 ILE 58 3HG2 ILE 58 -3.925 -12.405 6.948 451 1HD1 ILE 58 1HD1 ILE 58 -6.469 -10.466 9.810 452 2HD1 ILE 58 2HD1 ILE 58 -6.818 -8.869 9.161 453 3HD1 ILE 58 3HD1 ILE 58 -5.211 -9.552 8.980 454 H SER 59 H SER 59 -8.105 -10.568 5.659 455 HA SER 59 HA SER 59 -7.261 -10.115 2.846 456 1HB SER 59 1HB SER 59 -9.390 -8.715 4.527 457 2HB SER 59 2HB SER 59 -9.142 -8.538 2.778 458 HG SER 59 HG SER 59 -9.374 -10.849 2.656 459 H VAL 60 H VAL 60 -5.521 -9.089 2.605 460 HA VAL 60 HA VAL 60 -4.360 -7.238 4.436 461 HB VAL 60 HB VAL 60 -3.835 -7.849 1.496 462 1HG1 VAL 60 1HG1 VAL 60 -3.017 -5.551 1.989 463 2HG1 VAL 60 2HG1 VAL 60 -1.683 -6.651 1.752 464 3HG1 VAL 60 3HG1 VAL 60 -2.127 -6.150 3.377 465 1HG2 VAL 60 1HG2 VAL 60 -3.382 -9.691 3.075 466 2HG2 VAL 60 2HG2 VAL 60 -2.373 -8.645 4.050 467 3HG2 VAL 60 3HG2 VAL 60 -1.874 -9.069 2.422 468 H GLU 61 H GLU 61 -6.514 -7.029 1.807 469 HA GLU 61 HA GLU 61 -6.376 -4.281 1.165 470 1HB GLU 61 1HB GLU 61 -7.515 -6.110 -0.146 471 2HB GLU 61 2HB GLU 61 -8.790 -6.144 1.059 472 1HG GLU 61 1HG GLU 61 -9.321 -3.776 0.576 473 2HG GLU 61 2HG GLU 61 -8.003 -3.717 -0.592 474 H GLU 62 H GLU 62 -7.744 -5.915 3.890 475 HA GLU 62 HA GLU 62 -9.592 -3.864 4.687 476 1HB GLU 62 1HB GLU 62 -9.641 -6.276 5.422 477 2HB GLU 62 2HB GLU 62 -8.167 -6.007 6.311 478 1HG GLU 62 1HG GLU 62 -10.176 -5.846 7.818 479 2HG GLU 62 2HG GLU 62 -9.255 -4.356 7.793 480 H MET 63 H MET 63 -6.275 -4.745 5.453 481 HA MET 63 HA MET 63 -5.824 -2.697 7.356 482 1HB MET 63 1HB MET 63 -4.048 -4.386 5.705 483 2HB MET 63 2HB MET 63 -3.338 -3.097 6.665 484 1HG MET 63 1HG MET 63 -3.336 -5.193 7.912 485 2HG MET 63 2HG MET 63 -4.335 -4.013 8.684 486 1HE MET 63 1HE MET 63 -7.570 -5.558 9.244 487 2HE MET 63 2HE MET 63 -7.108 -4.055 8.464 488 3HE MET 63 3HE MET 63 -6.223 -4.643 9.890 489 H LYS 64 H LYS 64 -5.704 -2.795 3.900 490 HA LYS 64 HA LYS 64 -4.277 -0.298 3.548 491 1HB LYS 64 1HB LYS 64 -6.109 -1.843 1.644 492 2HB LYS 64 2HB LYS 64 -5.077 -0.512 1.160 493 1HG LYS 64 1HG LYS 64 -4.065 -3.095 2.426 494 2HG LYS 64 2HG LYS 64 -4.071 -2.786 0.707 495 1HD LYS 64 1HD LYS 64 -2.527 -0.864 1.027 496 2HD LYS 64 2HD LYS 64 -2.560 -1.092 2.765 497 1HE LYS 64 1HE LYS 64 -1.544 -3.195 0.822 498 2HE LYS 64 2HE LYS 64 -0.537 -2.086 1.739 499 1HZ LYS 64 1HZ LYS 64 -0.855 -4.331 2.722 500 2HZ LYS 64 2HZ LYS 64 -2.468 -3.906 3.030 501 3HZ LYS 64 3HZ LYS 64 -1.207 -3.027 3.750 502 H LYS 65 H LYS 65 -7.603 -1.231 4.066 503 HA LYS 65 HA LYS 65 -8.761 1.228 3.246 504 1HB LYS 65 1HB LYS 65 -9.989 -0.927 3.455 505 2HB LYS 65 2HB LYS 65 -9.746 -0.899 5.182 506 1HG LYS 65 1HG LYS 65 -11.998 -0.094 4.701 507 2HG LYS 65 2HG LYS 65 -11.044 1.178 5.425 508 1HD LYS 65 1HD LYS 65 -10.607 2.038 3.008 509 2HD LYS 65 2HD LYS 65 -11.785 0.856 2.477 510 1HE LYS 65 1HE LYS 65 -12.872 3.039 2.794 511 2HE LYS 65 2HE LYS 65 -13.467 1.931 4.023 512 1HZ LYS 65 1HZ LYS 65 -12.664 4.287 4.665 513 2HZ LYS 65 2HZ LYS 65 -11.117 3.590 4.603 514 3HZ LYS 65 3HZ LYS 65 -12.287 2.964 5.662 515 H GLN 66 H GLN 66 -7.236 0.130 6.168 516 HA GLN 66 HA GLN 66 -8.241 2.040 7.984 517 1HB GLN 66 1HB GLN 66 -5.478 0.739 7.916 518 2HB GLN 66 2HB GLN 66 -6.233 1.462 9.312 519 1HG GLN 66 1HG GLN 66 -8.009 -0.249 9.316 520 2HG GLN 66 2HG GLN 66 -7.339 -0.973 7.863 521 1HE2 GLN 66 1HE2 GLN 66 -4.619 -1.054 8.353 522 2HE2 GLN 66 2HE2 GLN 66 -4.295 -1.991 9.729 523 H ILE 67 H ILE 67 -5.598 2.026 5.743 524 HA ILE 67 HA ILE 67 -4.334 4.483 6.444 525 HB ILE 67 HB ILE 67 -4.553 3.035 3.797 526 1HG1 ILE 67 1HG1 ILE 67 -2.357 2.909 5.911 527 2HG1 ILE 67 2HG1 ILE 67 -3.608 1.700 5.770 528 1HG2 ILE 67 1HG2 ILE 67 -2.578 5.156 4.724 529 2HG2 ILE 67 2HG2 ILE 67 -3.765 5.299 3.434 530 3HG2 ILE 67 3HG2 ILE 67 -2.408 4.221 3.253 531 1HD1 ILE 67 1HD1 ILE 67 -1.539 2.361 3.618 532 2HD1 ILE 67 2HD1 ILE 67 -2.862 1.233 3.410 533 3HD1 ILE 67 3HD1 ILE 67 -1.609 0.903 4.586 534 H GLU 68 H GLU 68 -7.071 3.637 4.566 535 HA GLU 68 HA GLU 68 -7.486 6.330 3.450 536 1HB GLU 68 1HB GLU 68 -9.181 3.831 3.359 537 2HB GLU 68 2HB GLU 68 -9.446 5.281 2.424 538 1HG GLU 68 1HG GLU 68 -7.168 4.967 1.383 539 2HG GLU 68 2HG GLU 68 -6.943 3.512 2.315 540 H ALA 69 H ALA 69 -8.507 4.460 6.118 541 HA ALA 69 HA ALA 69 -10.900 5.986 6.736 542 1HB ALA 69 1HB ALA 69 -10.585 3.651 7.510 543 2HB ALA 69 2HB ALA 69 -10.821 4.732 8.877 544 3HB ALA 69 3HB ALA 69 -9.210 4.153 8.481 545 H MET 70 H MET 70 -7.524 6.023 7.697 546 HA MET 70 HA MET 70 -7.804 8.022 9.698 547 1HB MET 70 1HB MET 70 -5.368 7.846 9.774 548 2HB MET 70 2HB MET 70 -6.104 6.261 9.728 549 1HG MET 70 1HG MET 70 -4.288 6.156 8.280 550 2HG MET 70 2HG MET 70 -5.712 6.207 7.297 551 1HE MET 70 1HE MET 70 -2.379 7.135 6.066 552 2HE MET 70 2HE MET 70 -2.417 7.057 7.833 553 3HE MET 70 3HE MET 70 -2.027 8.561 7.054 554 H GLY 71 H GLY 71 -7.777 8.138 6.328 555 1HA GLY 71 1HA GLY 71 -8.377 10.422 5.489 556 2HA GLY 71 2HA GLY 71 -6.981 11.019 6.349 557 H PHE 72 H PHE 72 -5.912 8.222 4.914 558 HA PHE 72 HA PHE 72 -4.917 9.777 2.555 559 1HB PHE 72 1HB PHE 72 -3.698 7.277 3.814 560 2HB PHE 72 2HB PHE 72 -3.166 8.079 2.378 561 HD1 PHE 72 HD1 PHE 72 -4.154 10.273 5.213 562 HD2 PHE 72 HD2 PHE 72 -0.954 8.184 3.322 563 HE1 PHE 72 HE1 PHE 72 -2.538 11.584 6.473 564 HE2 PHE 72 HE2 PHE 72 0.651 9.507 4.586 565 HZ PHE 72 HZ PHE 72 -0.146 11.222 6.178 566 HA PRO 73 HA PRO 73 -7.845 6.772 0.533 567 1HB PRO 73 1HB PRO 73 -7.486 8.351 -1.838 568 2HB PRO 73 2HB PRO 73 -8.939 8.090 -0.889 569 1HG PRO 73 1HG PRO 73 -7.215 10.444 -0.946 570 2HG PRO 73 2HG PRO 73 -8.769 10.260 -0.149 571 1HD PRO 73 1HD PRO 73 -6.254 10.418 1.147 572 2HD PRO 73 2HD PRO 73 -7.773 9.910 1.901 573 H ALA 74 H ALA 74 -7.131 5.101 -0.455 574 HA ALA 74 HA ALA 74 -4.428 5.086 -1.738 575 1HB ALA 74 1HB ALA 74 -5.855 2.842 -0.238 576 2HB ALA 74 2HB ALA 74 -4.542 3.822 0.398 577 3HB ALA 74 3HB ALA 74 -4.247 2.748 -0.954 578 H PHE 75 H PHE 75 -5.016 5.512 -3.617 579 HA PHE 75 HA PHE 75 -7.227 4.555 -5.136 580 1HB PHE 75 1HB PHE 75 -4.529 5.459 -6.235 581 2HB PHE 75 2HB PHE 75 -6.089 5.585 -7.036 582 HD1 PHE 75 HD1 PHE 75 -7.951 6.832 -5.428 583 HD2 PHE 75 HD2 PHE 75 -3.732 7.446 -5.279 584 HE1 PHE 75 HE1 PHE 75 -8.297 9.016 -4.367 585 HE2 PHE 75 HE2 PHE 75 -4.087 9.623 -4.219 586 HZ PHE 75 HZ PHE 75 -6.370 10.416 -3.760 587 H VAL 76 H VAL 76 -7.492 2.405 -5.081 588 HA VAL 76 HA VAL 76 -5.479 0.421 -5.365 589 HB VAL 76 HB VAL 76 -8.437 0.194 -6.144 590 1HG1 VAL 76 1HG1 VAL 76 -8.164 -2.212 -5.540 591 2HG1 VAL 76 2HG1 VAL 76 -6.457 -1.942 -5.228 592 3HG1 VAL 76 3HG1 VAL 76 -7.095 -1.775 -6.856 593 1HG2 VAL 76 1HG2 VAL 76 -8.235 1.092 -3.841 594 2HG2 VAL 76 2HG2 VAL 76 -7.166 -0.228 -3.402 595 3HG2 VAL 76 3HG2 VAL 76 -8.840 -0.550 -3.811 596 H LYS 77 H LYS 77 -5.012 -0.948 -7.125 597 HA LYS 77 HA LYS 77 -5.651 0.057 -9.854 598 1HB LYS 77 1HB LYS 77 -2.862 -0.548 -8.777 599 2HB LYS 77 2HB LYS 77 -3.224 -0.232 -10.466 600 1HG LYS 77 1HG LYS 77 -4.148 1.999 -9.847 601 2HG LYS 77 2HG LYS 77 -3.766 1.687 -8.163 602 1HD LYS 77 1HD LYS 77 -1.391 1.556 -8.648 603 2HD LYS 77 2HD LYS 77 -1.688 1.747 -10.372 604 1HE LYS 77 1HE LYS 77 -2.697 3.980 -9.947 605 2HE LYS 77 2HE LYS 77 -2.430 3.768 -8.222 606 1HZ LYS 77 1HZ LYS 77 -0.133 3.457 -9.990 607 2HZ LYS 77 2HZ LYS 77 -0.232 4.101 -8.422 608 3HZ LYS 77 3HZ LYS 77 -0.738 5.028 -9.749 609 H LYS 78 H LYS 78 -4.149 -2.531 -7.959 610 HA LYS 78 HA LYS 78 -4.213 -4.479 -10.021 611 1HB LYS 78 1HB LYS 78 -2.890 -4.531 -7.807 612 2HB LYS 78 2HB LYS 78 -4.362 -5.042 -7.024 613 1HG LYS 78 1HG LYS 78 -3.021 -6.515 -9.331 614 2HG LYS 78 2HG LYS 78 -2.810 -6.918 -7.647 615 1HD LYS 78 1HD LYS 78 -5.307 -7.370 -7.500 616 2HD LYS 78 2HD LYS 78 -5.423 -7.068 -9.227 617 1HE LYS 78 1HE LYS 78 -3.856 -8.899 -9.710 618 2HE LYS 78 2HE LYS 78 -3.744 -9.264 -7.994 619 1HZ LYS 78 1HZ LYS 78 -6.237 -9.305 -9.582 620 2HZ LYS 78 2HZ LYS 78 -6.087 -9.704 -7.938 621 3HZ LYS 78 3HZ LYS 78 -5.336 -10.668 -9.118 622 H GLN 79 H GLN 79 -6.052 -4.953 -11.001 623 HA GLN 79 HA GLN 79 -8.250 -6.199 -9.578 624 1HB GLN 79 1HB GLN 79 -8.898 -3.923 -9.126 625 2HB GLN 79 2HB GLN 79 -8.642 -3.379 -10.749 626 1HG GLN 79 1HG GLN 79 -10.758 -5.440 -9.973 627 2HG GLN 79 2HG GLN 79 -11.079 -3.719 -10.074 628 1HE2 GLN 79 1HE2 GLN 79 -11.454 -6.486 -11.818 629 2HE2 GLN 79 2HE2 GLN 79 -11.396 -5.850 -13.391 630 HA PRO 80 HA PRO 80 -9.075 -6.730 -14.160 631 1HB PRO 80 1HB PRO 80 -7.817 -5.219 -16.093 632 2HB PRO 80 2HB PRO 80 -9.269 -4.701 -15.251 633 1HG PRO 80 1HG PRO 80 -6.520 -3.672 -14.969 634 2HG PRO 80 2HG PRO 80 -8.033 -2.940 -14.453 635 1HD PRO 80 1HD PRO 80 -6.104 -4.433 -12.829 636 2HD PRO 80 2HD PRO 80 -7.537 -3.543 -12.301 637 H LYS 81 H LYS 81 -5.952 -5.636 -15.240 638 HA LYS 81 HA LYS 81 -4.348 -7.895 -14.569 639 1HB LYS 81 1HB LYS 81 -4.190 -8.913 -16.868 640 2HB LYS 81 2HB LYS 81 -5.774 -9.142 -16.170 641 1HG LYS 81 1HG LYS 81 -6.625 -7.163 -17.463 642 2HG LYS 81 2HG LYS 81 -5.040 -6.977 -18.187 643 1HD LYS 81 1HD LYS 81 -6.737 -9.491 -18.442 644 2HD LYS 81 2HD LYS 81 -6.687 -8.218 -19.644 645 1HE LYS 81 1HE LYS 81 -4.212 -8.585 -19.903 646 2HE LYS 81 2HE LYS 81 -4.303 -9.912 -18.753 647 1HZ LYS 81 1HZ LYS 81 -4.391 -10.703 -21.002 648 2HZ LYS 81 2HZ LYS 81 -5.768 -9.756 -21.316 649 3HZ LYS 81 3HZ LYS 81 -5.852 -11.034 -20.199 650 H TYR 82 H TYR 82 -4.230 -5.112 -14.550 651 HA TYR 82 HA TYR 82 -2.834 -3.325 -14.996 652 1HB TYR 82 1HB TYR 82 -1.000 -5.673 -15.706 653 2HB TYR 82 2HB TYR 82 -0.423 -4.022 -15.606 654 HD1 TYR 82 HD1 TYR 82 -1.995 -6.767 -13.636 655 HD2 TYR 82 HD2 TYR 82 -0.138 -2.936 -13.491 656 HE1 TYR 82 HE1 TYR 82 -1.823 -6.939 -11.202 657 HE2 TYR 82 HE2 TYR 82 0.035 -3.114 -11.068 658 HH TYR 82 HH TYR 82 -1.483 -4.585 -9.214 659 H LEU 83 H LEU 83 -4.573 -3.214 -16.775 660 HA LEU 83 HA LEU 83 -3.508 -3.347 -19.526 661 1HB LEU 83 1HB LEU 83 -6.183 -2.344 -18.435 662 2HB LEU 83 2HB LEU 83 -5.802 -2.509 -20.137 663 HG LEU 83 HG LEU 83 -5.773 -4.838 -18.157 664 1HD1 LEU 83 1HD1 LEU 83 -7.897 -4.041 -20.201 665 2HD1 LEU 83 2HD1 LEU 83 -8.070 -3.925 -18.456 666 3HD1 LEU 83 3HD1 LEU 83 -7.923 -5.497 -19.219 667 1HD2 LEU 83 1HD2 LEU 83 -5.742 -6.218 -20.251 668 2HD2 LEU 83 2HD2 LEU 83 -4.334 -5.180 -20.188 669 3HD2 LEU 83 3HD2 LEU 83 -5.692 -4.759 -21.218 670 H LYS 84 H LYS 84 -5.018 -0.864 -17.527 671 HA LYS 84 HA LYS 84 -4.817 1.446 -17.455 672 1HB LYS 84 1HB LYS 84 -1.902 0.645 -17.905 673 2HB LYS 84 2HB LYS 84 -2.411 2.215 -17.311 674 1HG LYS 84 1HG LYS 84 -3.490 1.164 -15.349 675 2HG LYS 84 2HG LYS 84 -3.061 -0.431 -15.924 676 1HD LYS 84 1HD LYS 84 -1.074 1.753 -15.162 677 2HD LYS 84 2HD LYS 84 -1.503 0.388 -14.154 678 1HE LYS 84 1HE LYS 84 -0.098 0.227 -16.865 679 2HE LYS 84 2HE LYS 84 0.608 -0.102 -15.294 680 1HZ LYS 84 1HZ LYS 84 0.039 -2.146 -16.301 681 2HZ LYS 84 2HZ LYS 84 -1.549 -1.631 -16.615 682 3HZ LYS 84 3HZ LYS 84 -1.041 -1.888 -15.015 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -5.756 -18.460 -4.390 2 2H GLY 1 2H GLY 1 -6.479 -19.865 -5.008 3 3H GLY 1 3H GLY 1 -6.302 -19.668 -3.328 4 1HA GLY 1 1HA GLY 1 -8.573 -19.260 -3.935 5 2HA GLY 1 2HA GLY 1 -7.810 -17.755 -3.410 6 H SER 2 H SER 2 -8.137 -16.111 -4.685 7 HA SER 2 HA SER 2 -8.938 -14.821 -6.458 8 1HB SER 2 1HB SER 2 -7.365 -14.999 -8.443 9 2HB SER 2 2HB SER 2 -6.479 -15.129 -6.923 10 HG SER 2 HG SER 2 -7.413 -17.259 -8.543 11 H MET 3 H MET 3 -8.645 -16.101 -9.325 12 HA MET 3 HA MET 3 -11.439 -16.752 -9.616 13 1HB MET 3 1HB MET 3 -9.102 -17.295 -11.513 14 2HB MET 3 2HB MET 3 -10.793 -17.389 -11.954 15 1HG MET 3 1HG MET 3 -11.067 -15.000 -11.389 16 2HG MET 3 2HG MET 3 -9.388 -14.897 -10.936 17 1HE MET 3 1HE MET 3 -7.492 -15.853 -12.971 18 2HE MET 3 2HE MET 3 -7.581 -14.200 -12.316 19 3HE MET 3 3HE MET 3 -7.443 -14.461 -14.041 20 H ALA 4 H ALA 4 -8.469 -18.576 -9.522 21 HA ALA 4 HA ALA 4 -9.513 -20.881 -8.209 22 1HB ALA 4 1HB ALA 4 -9.034 -21.212 -11.214 23 2HB ALA 4 2HB ALA 4 -10.602 -21.325 -10.433 24 3HB ALA 4 3HB ALA 4 -9.371 -22.524 -10.096 25 H GLN 5 H GLN 5 -7.150 -18.926 -8.840 26 HA GLN 5 HA GLN 5 -4.926 -20.848 -9.148 27 1HB GLN 5 1HB GLN 5 -4.832 -17.809 -8.814 28 2HB GLN 5 2HB GLN 5 -3.490 -18.846 -9.221 29 1HG GLN 5 1HG GLN 5 -4.291 -17.846 -11.285 30 2HG GLN 5 2HG GLN 5 -4.710 -19.549 -11.323 31 1HE2 GLN 5 1HE2 GLN 5 -6.849 -19.995 -11.821 32 2HE2 GLN 5 2HE2 GLN 5 -8.133 -18.895 -11.694 33 H ALA 6 H ALA 6 -4.662 -21.975 -7.375 34 HA ALA 6 HA ALA 6 -4.742 -20.796 -4.672 35 1HB ALA 6 1HB ALA 6 -5.726 -23.043 -5.101 36 2HB ALA 6 2HB ALA 6 -4.398 -23.164 -3.958 37 3HB ALA 6 3HB ALA 6 -4.160 -23.635 -5.634 38 H GLY 7 H GLY 7 -2.961 -19.369 -5.575 39 1HA GLY 7 1HA GLY 7 -0.422 -20.214 -4.409 40 2HA GLY 7 2HA GLY 7 -0.355 -20.014 -6.162 41 H GLU 8 H GLU 8 -1.126 -18.453 -3.169 42 HA GLU 8 HA GLU 8 -1.320 -16.253 -2.462 43 1HB GLU 8 1HB GLU 8 0.752 -14.988 -2.776 44 2HB GLU 8 2HB GLU 8 1.081 -16.670 -2.445 45 1HG GLU 8 1HG GLU 8 1.674 -17.102 -4.749 46 2HG GLU 8 2HG GLU 8 1.063 -15.537 -5.271 47 H VAL 9 H VAL 9 -0.772 -13.951 -3.079 48 HA VAL 9 HA VAL 9 -1.944 -13.107 -5.664 49 HB VAL 9 HB VAL 9 -3.417 -11.444 -4.310 50 1HG1 VAL 9 1HG1 VAL 9 -4.008 -14.430 -3.998 51 2HG1 VAL 9 2HG1 VAL 9 -4.366 -13.471 -5.425 52 3HG1 VAL 9 3HG1 VAL 9 -5.188 -13.137 -3.912 53 1HG2 VAL 9 1HG2 VAL 9 -3.944 -12.127 -1.980 54 2HG2 VAL 9 2HG2 VAL 9 -2.229 -11.770 -2.101 55 3HG2 VAL 9 3HG2 VAL 9 -2.788 -13.431 -2.060 56 H VAL 10 H VAL 10 -1.335 -11.104 -6.328 57 HA VAL 10 HA VAL 10 0.663 -9.590 -4.703 58 HB VAL 10 HB VAL 10 1.957 -9.237 -6.881 59 1HG1 VAL 10 1HG1 VAL 10 2.674 -11.030 -5.341 60 2HG1 VAL 10 2HG1 VAL 10 2.932 -11.517 -7.001 61 3HG1 VAL 10 3HG1 VAL 10 1.570 -12.164 -6.103 62 1HG2 VAL 10 1HG2 VAL 10 0.047 -11.356 -7.989 63 2HG2 VAL 10 2HG2 VAL 10 1.452 -10.709 -8.818 64 3HG2 VAL 10 3HG2 VAL 10 0.078 -9.676 -8.490 65 H LEU 11 H LEU 11 -1.715 -8.776 -4.476 66 HA LEU 11 HA LEU 11 -2.757 -7.019 -6.506 67 1HB LEU 11 1HB LEU 11 -3.234 -6.883 -3.503 68 2HB LEU 11 2HB LEU 11 -4.244 -6.159 -4.738 69 HG LEU 11 HG LEU 11 -3.796 -9.155 -4.325 70 1HD1 LEU 11 1HD1 LEU 11 -6.252 -7.397 -3.904 71 2HD1 LEU 11 2HD1 LEU 11 -5.245 -8.056 -2.630 72 3HD1 LEU 11 3HD1 LEU 11 -6.184 -9.134 -3.650 73 1HD2 LEU 11 1HD2 LEU 11 -5.597 -7.716 -6.334 74 2HD2 LEU 11 2HD2 LEU 11 -5.540 -9.452 -6.076 75 3HD2 LEU 11 3HD2 LEU 11 -4.152 -8.625 -6.748 76 H LYS 12 H LYS 12 -2.723 -4.853 -6.721 77 HA LYS 12 HA LYS 12 -0.469 -3.372 -5.409 78 1HB LYS 12 1HB LYS 12 -1.937 -2.369 -7.873 79 2HB LYS 12 2HB LYS 12 -0.288 -2.060 -7.394 80 1HG LYS 12 1HG LYS 12 -1.369 -4.651 -8.555 81 2HG LYS 12 2HG LYS 12 -0.342 -3.496 -9.379 82 1HD LYS 12 1HD LYS 12 1.457 -3.979 -7.674 83 2HD LYS 12 2HD LYS 12 0.396 -5.211 -6.995 84 1HE LYS 12 1HE LYS 12 0.327 -6.383 -9.186 85 2HE LYS 12 2HE LYS 12 1.473 -5.212 -9.826 86 1HZ LYS 12 1HZ LYS 12 2.838 -5.901 -7.754 87 2HZ LYS 12 2HZ LYS 12 2.845 -6.871 -9.148 88 3HZ LYS 12 3HZ LYS 12 1.879 -7.300 -7.818 89 H MET 13 H MET 13 -0.915 -1.596 -4.256 90 HA MET 13 HA MET 13 -3.697 -0.513 -4.268 91 1HB MET 13 1HB MET 13 -2.048 -1.059 -1.786 92 2HB MET 13 2HB MET 13 -3.666 -0.422 -1.814 93 1HG MET 13 1HG MET 13 -3.869 -2.720 -1.218 94 2HG MET 13 2HG MET 13 -4.453 -2.563 -2.845 95 1HE MET 13 1HE MET 13 -1.166 -3.364 -0.840 96 2HE MET 13 2HE MET 13 -0.967 -5.034 -1.337 97 3HE MET 13 3HE MET 13 -2.418 -4.570 -0.463 98 H LYS 14 H LYS 14 -3.731 1.640 -4.178 99 HA LYS 14 HA LYS 14 -1.143 3.120 -3.867 100 1HB LYS 14 1HB LYS 14 -2.213 3.221 -6.124 101 2HB LYS 14 2HB LYS 14 -3.595 3.946 -5.328 102 1HG LYS 14 1HG LYS 14 -2.159 5.829 -4.517 103 2HG LYS 14 2HG LYS 14 -0.762 5.084 -5.270 104 1HD LYS 14 1HD LYS 14 -1.801 5.363 -7.497 105 2HD LYS 14 2HD LYS 14 -3.237 6.055 -6.762 106 1HE LYS 14 1HE LYS 14 -0.428 7.234 -6.561 107 2HE LYS 14 2HE LYS 14 -1.715 7.842 -7.592 108 1HZ LYS 14 1HZ LYS 14 -3.053 8.183 -5.569 109 2HZ LYS 14 2HZ LYS 14 -1.642 9.128 -5.619 110 3HZ LYS 14 3HZ LYS 14 -1.706 7.749 -4.632 111 H VAL 15 H VAL 15 -1.196 5.027 -2.655 112 HA VAL 15 HA VAL 15 -3.571 5.577 -0.980 113 HB VAL 15 HB VAL 15 -0.835 4.664 -0.261 114 1HG1 VAL 15 1HG1 VAL 15 -0.844 5.805 1.925 115 2HG1 VAL 15 2HG1 VAL 15 -2.286 6.699 1.463 116 3HG1 VAL 15 3HG1 VAL 15 -0.755 7.000 0.639 117 1HG2 VAL 15 1HG2 VAL 15 -2.809 3.349 0.116 118 2HG2 VAL 15 2HG2 VAL 15 -3.465 4.608 1.165 119 3HG2 VAL 15 3HG2 VAL 15 -1.998 3.747 1.627 120 H GLU 16 H GLU 16 -3.404 7.690 0.143 121 HA GLU 16 HA GLU 16 -2.458 9.735 -1.767 122 1HB GLU 16 1HB GLU 16 -4.819 9.793 -0.920 123 2HB GLU 16 2HB GLU 16 -4.205 9.927 0.718 124 1HG GLU 16 1HG GLU 16 -4.801 12.137 -0.182 125 2HG GLU 16 2HG GLU 16 -3.075 12.048 0.119 126 H GLY 17 H GLY 17 -0.794 10.992 -1.317 127 1HA GLY 17 1HA GLY 17 0.904 10.379 0.921 128 2HA GLY 17 2HA GLY 17 1.273 11.483 -0.387 129 H MET 18 H MET 18 -1.686 11.939 1.228 130 HA MET 18 HA MET 18 -2.542 13.889 2.181 131 1HB MET 18 1HB MET 18 -2.153 12.293 3.964 132 2HB MET 18 2HB MET 18 -0.488 12.804 4.134 133 1HG MET 18 1HG MET 18 -1.201 14.991 4.957 134 2HG MET 18 2HG MET 18 -2.865 14.646 4.573 135 1HE MET 18 1HE MET 18 0.164 13.899 7.001 136 2HE MET 18 2HE MET 18 -0.233 12.379 6.176 137 3HE MET 18 3HE MET 18 -0.524 12.534 7.885 138 H THR 19 H THR 19 0.561 14.392 3.698 139 HA THR 19 HA THR 19 1.192 16.764 2.043 140 HB THR 19 HB THR 19 1.465 18.186 4.160 141 HG1 THR 19 HG1 THR 19 0.676 15.697 5.178 142 1HG2 THR 19 1HG2 THR 19 -0.925 18.473 4.727 143 2HG2 THR 19 2HG2 THR 19 -1.330 16.913 4.039 144 3HG2 THR 19 3HG2 THR 19 -0.813 18.222 2.994 145 H CYS 20 H CYS 20 3.311 17.734 3.060 146 HA CYS 20 HA CYS 20 5.373 15.810 2.746 147 1HB CYS 20 1HB CYS 20 5.673 18.242 2.426 148 2HB CYS 20 2HB CYS 20 5.434 18.511 4.130 149 H HIS 21 H HIS 21 3.532 16.780 5.459 150 HA HIS 21 HA HIS 21 5.273 15.473 7.460 151 1HB HIS 21 1HB HIS 21 2.595 16.921 7.769 152 2HB HIS 21 2HB HIS 21 3.663 16.442 9.085 153 HD1 HIS 21 HD1 HIS 21 5.683 17.974 9.457 154 HD2 HIS 21 HD2 HIS 21 3.595 19.054 6.119 155 HE1 HIS 21 HE1 HIS 21 6.597 20.150 8.738 156 H SER 22 H SER 22 4.378 13.749 5.540 157 HA SER 22 HA SER 22 1.947 12.378 6.113 158 1HB SER 22 1HB SER 22 2.986 10.518 4.749 159 2HB SER 22 2HB SER 22 3.164 12.090 3.963 160 HG SER 22 HG SER 22 5.209 12.263 4.999 161 H CYS 23 H CYS 23 1.675 10.277 6.994 162 HA CYS 23 HA CYS 23 3.541 9.595 9.236 163 1HB CYS 23 1HB CYS 23 0.521 9.345 9.142 164 2HB CYS 23 2HB CYS 23 1.531 8.905 10.494 165 H THR 24 H THR 24 3.487 8.559 6.493 166 HA THR 24 HA THR 24 2.286 5.974 6.382 167 HB THR 24 HB THR 24 3.938 5.531 4.538 168 HG1 THR 24 HG1 THR 24 5.627 6.675 5.604 169 1HG2 THR 24 1HG2 THR 24 3.346 7.475 3.072 170 2HG2 THR 24 2HG2 THR 24 2.859 8.408 4.474 171 3HG2 THR 24 3HG2 THR 24 1.927 7.001 3.989 172 H SER 25 H SER 25 4.962 7.044 8.146 173 HA SER 25 HA SER 25 6.694 4.833 8.239 174 1HB SER 25 1HB SER 25 7.261 5.695 10.579 175 2HB SER 25 2HB SER 25 7.182 7.004 9.390 176 HG SER 25 HG SER 25 5.105 6.128 11.112 177 H THR 26 H THR 26 3.649 5.392 9.814 178 HA THR 26 HA THR 26 3.683 3.061 11.498 179 HB THR 26 HB THR 26 1.240 3.666 11.895 180 HG1 THR 26 HG1 THR 26 0.827 4.251 9.750 181 1HG2 THR 26 1HG2 THR 26 1.570 6.005 12.663 182 2HG2 THR 26 2HG2 THR 26 2.978 6.193 11.633 183 3HG2 THR 26 3HG2 THR 26 3.045 5.122 13.023 184 H ILE 27 H ILE 27 2.273 3.873 8.375 185 HA ILE 27 HA ILE 27 0.729 1.570 7.889 186 HB ILE 27 HB ILE 27 2.289 3.340 5.936 187 1HG1 ILE 27 1HG1 ILE 27 -0.630 3.353 6.836 188 2HG1 ILE 27 2HG1 ILE 27 0.585 4.512 7.332 189 1HG2 ILE 27 1HG2 ILE 27 1.765 1.176 4.850 190 2HG2 ILE 27 2HG2 ILE 27 0.794 2.451 4.160 191 3HG2 ILE 27 3HG2 ILE 27 0.082 1.337 5.318 192 1HD1 ILE 27 1HD1 ILE 27 0.835 5.259 4.957 193 2HD1 ILE 27 2HD1 ILE 27 -0.802 5.467 5.549 194 3HD1 ILE 27 3HD1 ILE 27 -0.425 4.135 4.477 195 H GLU 28 H GLU 28 4.184 2.075 7.481 196 HA GLU 28 HA GLU 28 4.910 -0.145 6.005 197 1HB GLU 28 1HB GLU 28 6.313 1.814 6.852 198 2HB GLU 28 2HB GLU 28 6.438 0.993 8.381 199 1HG GLU 28 1HG GLU 28 7.411 -0.982 7.253 200 2HG GLU 28 2HG GLU 28 7.324 -0.119 5.717 201 H GLY 29 H GLY 29 5.176 0.056 9.485 202 1HA GLY 29 1HA GLY 29 5.345 -2.830 9.854 203 2HA GLY 29 2HA GLY 29 5.329 -1.626 11.125 204 H LYS 30 H LYS 30 2.651 -0.741 9.660 205 HA LYS 30 HA LYS 30 0.937 -2.318 11.464 206 1HB LYS 30 1HB LYS 30 0.643 0.128 11.264 207 2HB LYS 30 2HB LYS 30 0.347 -0.009 9.548 208 1HG LYS 30 1HG LYS 30 -1.439 -1.405 11.568 209 2HG LYS 30 2HG LYS 30 -1.683 0.280 11.164 210 1HD LYS 30 1HD LYS 30 -1.890 -0.397 8.716 211 2HD LYS 30 2HD LYS 30 -1.845 -2.076 9.217 212 1HE LYS 30 1HE LYS 30 -3.916 -0.084 10.180 213 2HE LYS 30 2HE LYS 30 -4.172 -1.303 8.943 214 1HZ LYS 30 1HZ LYS 30 -3.498 -2.975 10.643 215 2HZ LYS 30 2HZ LYS 30 -4.966 -2.178 10.950 216 3HZ LYS 30 3HZ LYS 30 -3.565 -1.736 11.802 217 H ILE 31 H ILE 31 0.915 -1.484 8.053 218 HA ILE 31 HA ILE 31 -0.957 -3.470 7.246 219 HB ILE 31 HB ILE 31 0.264 -1.195 6.193 220 1HG1 ILE 31 1HG1 ILE 31 -1.938 -1.796 5.655 221 2HG1 ILE 31 2HG1 ILE 31 -1.041 -1.495 4.183 222 1HG2 ILE 31 1HG2 ILE 31 2.286 -2.377 5.456 223 2HG2 ILE 31 2HG2 ILE 31 1.379 -1.782 4.079 224 3HG2 ILE 31 3HG2 ILE 31 1.317 -3.485 4.501 225 1HD1 ILE 31 1HD1 ILE 31 -2.465 -3.474 3.924 226 2HD1 ILE 31 2HD1 ILE 31 -1.714 -4.241 5.311 227 3HD1 ILE 31 3HD1 ILE 31 -0.778 -3.957 3.850 228 H GLY 32 H GLY 32 2.453 -3.546 7.764 229 1HA GLY 32 1HA GLY 32 2.942 -5.996 6.334 230 2HA GLY 32 2HA GLY 32 4.091 -5.127 7.334 231 H LYS 33 H LYS 33 1.716 -5.233 9.362 232 HA LYS 33 HA LYS 33 2.758 -7.453 10.860 233 1HB LYS 33 1HB LYS 33 2.136 -5.356 11.920 234 2HB LYS 33 2HB LYS 33 0.479 -5.595 11.407 235 1HG LYS 33 1HG LYS 33 0.777 -6.139 13.794 236 2HG LYS 33 2HG LYS 33 0.269 -7.557 12.913 237 1HD LYS 33 1HD LYS 33 2.660 -8.338 12.829 238 2HD LYS 33 2HD LYS 33 3.154 -6.892 13.692 239 1HE LYS 33 1HE LYS 33 1.234 -9.011 14.760 240 2HE LYS 33 2HE LYS 33 2.921 -8.842 15.223 241 1HZ LYS 33 1HZ LYS 33 1.786 -7.733 16.868 242 2HZ LYS 33 2HZ LYS 33 0.666 -7.042 15.794 243 3HZ LYS 33 3HZ LYS 33 2.264 -6.470 15.836 244 H LEU 34 H LEU 34 0.481 -7.176 8.490 245 HA LEU 34 HA LEU 34 -1.629 -8.799 9.290 246 1HB LEU 34 1HB LEU 34 -0.386 -8.109 6.652 247 2HB LEU 34 2HB LEU 34 -1.733 -9.215 6.682 248 HG LEU 34 HG LEU 34 -1.729 -6.306 7.685 249 1HD1 LEU 34 1HD1 LEU 34 -1.665 -6.638 5.201 250 2HD1 LEU 34 2HD1 LEU 34 -3.215 -5.993 5.698 251 3HD1 LEU 34 3HD1 LEU 34 -3.064 -7.695 5.324 252 1HD2 LEU 34 1HD2 LEU 34 -4.200 -6.675 7.973 253 2HD2 LEU 34 2HD2 LEU 34 -3.344 -7.795 8.997 254 3HD2 LEU 34 3HD2 LEU 34 -4.019 -8.342 7.475 255 H GLN 35 H GLN 35 -2.111 -10.888 9.179 256 HA GLN 35 HA GLN 35 0.044 -12.792 9.330 257 1HB GLN 35 1HB GLN 35 -1.766 -14.414 9.854 258 2HB GLN 35 2HB GLN 35 -1.894 -12.958 10.820 259 1HG GLN 35 1HG GLN 35 -3.654 -12.071 9.263 260 2HG GLN 35 2HG GLN 35 -3.529 -13.532 8.294 261 1HE2 GLN 35 1HE2 GLN 35 -4.372 -12.382 11.569 262 2HE2 GLN 35 2HE2 GLN 35 -5.392 -13.689 11.933 263 H GLY 36 H GLY 36 0.500 -14.500 8.007 264 1HA GLY 36 1HA GLY 36 0.512 -15.859 6.118 265 2HA GLY 36 2HA GLY 36 -1.034 -15.163 5.662 266 H VAL 37 H VAL 37 1.187 -12.792 6.319 267 HA VAL 37 HA VAL 37 1.390 -12.041 3.509 268 HB VAL 37 HB VAL 37 2.207 -10.726 6.146 269 1HG1 VAL 37 1HG1 VAL 37 4.074 -10.253 4.532 270 2HG1 VAL 37 2HG1 VAL 37 3.107 -8.824 4.843 271 3HG1 VAL 37 3HG1 VAL 37 2.891 -9.728 3.345 272 1HG2 VAL 37 1HG2 VAL 37 0.470 -9.932 3.781 273 2HG2 VAL 37 2HG2 VAL 37 0.692 -9.005 5.247 274 3HG2 VAL 37 3HG2 VAL 37 -0.121 -10.567 5.309 275 H GLN 38 H GLN 38 3.000 -12.284 2.198 276 HA GLN 38 HA GLN 38 5.364 -13.819 3.088 277 1HB GLN 38 1HB GLN 38 4.257 -13.159 0.311 278 2HB GLN 38 2HB GLN 38 5.634 -14.207 0.626 279 1HG GLN 38 1HG GLN 38 4.222 -15.795 1.812 280 2HG GLN 38 2HG GLN 38 2.841 -14.703 1.736 281 1HE2 GLN 38 1HE2 GLN 38 2.269 -14.004 -0.619 282 2HE2 GLN 38 2HE2 GLN 38 2.333 -15.227 -1.794 283 H ARG 39 H ARG 39 5.045 -11.531 0.484 284 HA ARG 39 HA ARG 39 7.466 -10.087 1.444 285 1HB ARG 39 1HB ARG 39 7.367 -11.052 -0.922 286 2HB ARG 39 2HB ARG 39 6.121 -9.887 -1.284 287 1HG ARG 39 1HG ARG 39 8.291 -9.109 -2.097 288 2HG ARG 39 2HG ARG 39 7.619 -7.998 -0.934 289 1HD ARG 39 1HD ARG 39 10.062 -8.409 -0.563 290 2HD ARG 39 2HD ARG 39 9.135 -8.940 0.831 291 HE ARG 39 HE ARG 39 9.468 -11.094 -1.063 292 1HH1 ARG 39 1HH1 ARG 39 11.102 -9.243 1.368 293 2HH1 ARG 39 2HH1 ARG 39 12.204 -10.519 1.762 294 1HH2 ARG 39 1HH2 ARG 39 10.852 -12.723 -0.583 295 2HH2 ARG 39 2HH2 ARG 39 12.061 -12.520 0.640 296 H ILE 40 H ILE 40 7.571 -7.791 1.085 297 HA ILE 40 HA ILE 40 5.076 -6.238 1.164 298 HB ILE 40 HB ILE 40 5.434 -6.737 3.537 299 1HG1 ILE 40 1HG1 ILE 40 6.489 -3.919 2.990 300 2HG1 ILE 40 2HG1 ILE 40 4.808 -4.364 2.804 301 1HG2 ILE 40 1HG2 ILE 40 8.300 -5.700 3.258 302 2HG2 ILE 40 2HG2 ILE 40 7.836 -7.379 3.475 303 3HG2 ILE 40 3HG2 ILE 40 7.532 -6.212 4.742 304 1HD1 ILE 40 1HD1 ILE 40 4.712 -4.993 5.198 305 2HD1 ILE 40 2HD1 ILE 40 5.183 -3.315 4.994 306 3HD1 ILE 40 3HD1 ILE 40 6.392 -4.517 5.407 307 H LYS 41 H LYS 41 5.413 -4.751 -0.305 308 HA LYS 41 HA LYS 41 8.019 -3.343 -0.461 309 1HB LYS 41 1HB LYS 41 7.932 -3.633 -2.999 310 2HB LYS 41 2HB LYS 41 8.305 -5.088 -2.097 311 1HG LYS 41 1HG LYS 41 5.904 -5.795 -2.289 312 2HG LYS 41 2HG LYS 41 5.579 -4.373 -3.266 313 1HD LYS 41 1HD LYS 41 7.327 -5.149 -4.898 314 2HD LYS 41 2HD LYS 41 7.542 -6.599 -3.929 315 1HE LYS 41 1HE LYS 41 5.120 -7.162 -4.277 316 2HE LYS 41 2HE LYS 41 4.965 -5.736 -5.295 317 1HZ LYS 41 1HZ LYS 41 5.318 -7.720 -6.592 318 2HZ LYS 41 2HZ LYS 41 6.793 -8.006 -5.799 319 3HZ LYS 41 3HZ LYS 41 6.610 -6.633 -6.782 320 H VAL 42 H VAL 42 6.619 -1.921 0.656 321 HA VAL 42 HA VAL 42 4.491 -0.566 -0.823 322 HB VAL 42 HB VAL 42 5.784 0.133 1.864 323 1HG1 VAL 42 1HG1 VAL 42 3.665 1.343 2.288 324 2HG1 VAL 42 2HG1 VAL 42 3.093 0.951 0.679 325 3HG1 VAL 42 3HG1 VAL 42 4.480 2.001 0.879 326 1HG2 VAL 42 1HG2 VAL 42 3.294 -1.530 1.286 327 2HG2 VAL 42 2HG2 VAL 42 3.856 -1.068 2.884 328 3HG2 VAL 42 3HG2 VAL 42 4.812 -2.159 1.900 329 H SER 43 H SER 43 4.560 1.410 -1.663 330 HA SER 43 HA SER 43 7.205 2.480 -2.465 331 1HB SER 43 1HB SER 43 5.263 2.166 -4.093 332 2HB SER 43 2HB SER 43 4.429 3.469 -3.234 333 HG SER 43 HG SER 43 5.937 4.876 -3.831 334 H LEU 44 H LEU 44 7.135 4.934 -2.675 335 HA LEU 44 HA LEU 44 6.741 6.102 0.052 336 1HB LEU 44 1HB LEU 44 8.463 7.087 -2.266 337 2HB LEU 44 2HB LEU 44 8.456 7.757 -0.648 338 HG LEU 44 HG LEU 44 9.311 4.906 -1.358 339 1HD1 LEU 44 1HD1 LEU 44 10.906 6.624 -2.170 340 2HD1 LEU 44 2HD1 LEU 44 11.597 5.722 -0.833 341 3HD1 LEU 44 3HD1 LEU 44 10.968 7.341 -0.567 342 1HD2 LEU 44 1HD2 LEU 44 9.482 6.423 1.290 343 2HD2 LEU 44 2HD2 LEU 44 10.125 4.816 0.993 344 3HD2 LEU 44 3HD2 LEU 44 8.395 5.082 0.966 345 H ASP 45 H ASP 45 6.513 8.618 -0.216 346 HA ASP 45 HA ASP 45 5.031 10.360 -0.615 347 1HB ASP 45 1HB ASP 45 5.098 9.211 -3.466 348 2HB ASP 45 2HB ASP 45 4.583 10.830 -3.029 349 H ASN 46 H ASN 46 3.454 8.469 -3.104 350 HA ASN 46 HA ASN 46 0.883 8.669 -1.733 351 1HB ASN 46 1HB ASN 46 1.782 7.457 -4.373 352 2HB ASN 46 2HB ASN 46 0.115 7.382 -3.856 353 1HD2 ASN 46 1HD2 ASN 46 -0.894 9.577 -3.270 354 2HD2 ASN 46 2HD2 ASN 46 -0.420 10.924 -4.187 355 H GLN 47 H GLN 47 3.210 6.912 -0.826 356 HA GLN 47 HA GLN 47 3.670 4.731 -0.201 357 1HB GLN 47 1HB GLN 47 2.381 6.219 1.532 358 2HB GLN 47 2HB GLN 47 1.027 5.191 1.182 359 1HG GLN 47 1HG GLN 47 2.146 4.326 3.177 360 2HG GLN 47 2HG GLN 47 2.401 3.184 1.875 361 1HE2 GLN 47 1HE2 GLN 47 4.317 6.071 1.513 362 2HE2 GLN 47 2HE2 GLN 47 5.765 5.426 2.113 363 H GLU 48 H GLU 48 2.870 4.253 -2.574 364 HA GLU 48 HA GLU 48 0.502 2.657 -2.865 365 1HB GLU 48 1HB GLU 48 1.740 3.790 -4.771 366 2HB GLU 48 2HB GLU 48 3.027 2.613 -4.604 367 1HG GLU 48 1HG GLU 48 1.395 0.765 -5.072 368 2HG GLU 48 2HG GLU 48 0.129 1.964 -5.281 369 H ALA 49 H ALA 49 0.404 1.194 -1.342 370 HA ALA 49 HA ALA 49 2.535 -0.629 -0.658 371 1HB ALA 49 1HB ALA 49 0.793 -1.622 0.846 372 2HB ALA 49 2HB ALA 49 -0.417 -0.610 0.079 373 3HB ALA 49 3HB ALA 49 0.881 0.121 1.008 374 H THR 50 H THR 50 2.987 -2.596 -1.464 375 HA THR 50 HA THR 50 0.911 -4.017 -3.051 376 HB THR 50 HB THR 50 3.802 -3.443 -3.899 377 HG1 THR 50 HG1 THR 50 1.225 -2.499 -4.544 378 1HG2 THR 50 1HG2 THR 50 3.036 -4.517 -6.063 379 2HG2 THR 50 2HG2 THR 50 1.437 -4.739 -5.371 380 3HG2 THR 50 3HG2 THR 50 2.776 -5.692 -4.785 381 H ILE 51 H ILE 51 1.025 -4.788 -0.728 382 HA ILE 51 HA ILE 51 3.189 -6.539 0.063 383 HB ILE 51 HB ILE 51 0.317 -6.212 1.069 384 1HG1 ILE 51 1HG1 ILE 51 1.471 -5.335 3.145 385 2HG1 ILE 51 2HG1 ILE 51 2.991 -5.419 2.285 386 1HG2 ILE 51 1HG2 ILE 51 0.938 -7.591 3.013 387 2HG2 ILE 51 2HG2 ILE 51 2.500 -7.919 2.279 388 3HG2 ILE 51 3HG2 ILE 51 1.026 -8.533 1.535 389 1HD1 ILE 51 1HD1 ILE 51 0.598 -3.770 1.447 390 2HD1 ILE 51 2HD1 ILE 51 2.165 -3.781 0.638 391 3HD1 ILE 51 3HD1 ILE 51 2.031 -3.159 2.266 392 H VAL 52 H VAL 52 3.449 -8.680 -0.347 393 HA VAL 52 HA VAL 52 1.494 -9.995 -2.125 394 HB VAL 52 HB VAL 52 4.362 -10.705 -1.402 395 1HG1 VAL 52 1HG1 VAL 52 2.506 -11.917 -3.471 396 2HG1 VAL 52 2HG1 VAL 52 3.062 -12.684 -1.998 397 3HG1 VAL 52 3HG1 VAL 52 4.208 -12.320 -3.274 398 1HG2 VAL 52 1HG2 VAL 52 3.198 -9.471 -3.942 399 2HG2 VAL 52 2HG2 VAL 52 4.880 -9.945 -3.737 400 3HG2 VAL 52 3HG2 VAL 52 4.209 -8.635 -2.777 401 H TYR 53 H TYR 53 0.450 -11.700 -1.342 402 HA TYR 53 HA TYR 53 1.366 -12.997 1.123 403 1HB TYR 53 1HB TYR 53 -0.753 -12.543 2.362 404 2HB TYR 53 2HB TYR 53 0.136 -11.076 2.013 405 HD1 TYR 53 HD1 TYR 53 -3.023 -12.674 1.791 406 HD2 TYR 53 HD2 TYR 53 -0.607 -9.740 -0.136 407 HE1 TYR 53 HE1 TYR 53 -5.013 -11.710 0.750 408 HE2 TYR 53 HE2 TYR 53 -2.605 -8.779 -1.171 409 HH TYR 53 HH TYR 53 -5.301 -8.849 -0.362 410 H GLN 54 H GLN 54 0.083 -14.715 1.793 411 HA GLN 54 HA GLN 54 -0.526 -16.568 -0.279 412 1HB GLN 54 1HB GLN 54 -1.130 -16.570 2.696 413 2HB GLN 54 2HB GLN 54 -1.269 -18.001 1.680 414 1HG GLN 54 1HG GLN 54 1.103 -18.035 1.251 415 2HG GLN 54 2HG GLN 54 1.327 -16.409 1.881 416 1HE2 GLN 54 1HE2 GLN 54 1.924 -16.252 4.007 417 2HE2 GLN 54 2HE2 GLN 54 1.797 -17.484 5.165 418 HA PRO 55 HA PRO 55 -4.123 -15.271 -1.675 419 1HB PRO 55 1HB PRO 55 -5.292 -17.446 -2.839 420 2HB PRO 55 2HB PRO 55 -3.749 -16.782 -3.357 421 1HG PRO 55 1HG PRO 55 -4.296 -19.230 -1.733 422 2HG PRO 55 2HG PRO 55 -2.980 -18.921 -2.852 423 1HD PRO 55 1HD PRO 55 -2.842 -18.734 -0.004 424 2HD PRO 55 2HD PRO 55 -1.624 -18.127 -1.138 425 H HIS 56 H HIS 56 -4.691 -16.811 1.148 426 HA HIS 56 HA HIS 56 -7.457 -15.875 1.258 427 1HB HIS 56 1HB HIS 56 -8.382 -18.188 1.831 428 2HB HIS 56 2HB HIS 56 -7.850 -18.028 0.164 429 HD1 HIS 56 HD1 HIS 56 -6.174 -19.753 -0.508 430 HD2 HIS 56 HD2 HIS 56 -6.218 -19.363 3.554 431 HE1 HIS 56 HE1 HIS 56 -4.642 -21.475 0.369 432 H LEU 57 H LEU 57 -4.844 -15.647 2.741 433 HA LEU 57 HA LEU 57 -5.456 -16.713 5.384 434 1HB LEU 57 1HB LEU 57 -3.214 -15.060 4.200 435 2HB LEU 57 2HB LEU 57 -3.326 -15.274 5.926 436 HG LEU 57 HG LEU 57 -1.781 -16.956 4.766 437 1HD1 LEU 57 1HD1 LEU 57 -4.210 -18.191 6.148 438 2HD1 LEU 57 2HD1 LEU 57 -2.812 -17.507 6.961 439 3HD1 LEU 57 3HD1 LEU 57 -2.638 -18.941 5.965 440 1HD2 LEU 57 1HD2 LEU 57 -2.764 -18.794 3.470 441 2HD2 LEU 57 2HD2 LEU 57 -3.185 -17.277 2.689 442 3HD2 LEU 57 3HD2 LEU 57 -4.366 -18.119 3.666 443 H ILE 58 H ILE 58 -5.253 -13.550 3.882 444 HA ILE 58 HA ILE 58 -7.304 -12.497 5.623 445 HB ILE 58 HB ILE 58 -5.319 -12.371 7.074 446 1HG1 ILE 58 1HG1 ILE 58 -5.414 -10.003 7.729 447 2HG1 ILE 58 2HG1 ILE 58 -6.138 -9.540 6.235 448 1HG2 ILE 58 1HG2 ILE 58 -3.420 -10.846 6.483 449 2HG2 ILE 58 2HG2 ILE 58 -4.165 -10.517 4.929 450 3HG2 ILE 58 3HG2 ILE 58 -3.586 -12.131 5.296 451 1HD1 ILE 58 1HD1 ILE 58 -7.329 -11.392 8.359 452 2HD1 ILE 58 2HD1 ILE 58 -8.141 -10.991 6.852 453 3HD1 ILE 58 3HD1 ILE 58 -7.824 -9.739 8.034 454 H SER 59 H SER 59 -7.567 -10.101 5.236 455 HA SER 59 HA SER 59 -7.250 -9.492 2.313 456 1HB SER 59 1HB SER 59 -9.220 -7.955 2.715 457 2HB SER 59 2HB SER 59 -9.605 -9.659 3.017 458 HG SER 59 HG SER 59 -8.987 -9.220 5.243 459 H VAL 60 H VAL 60 -5.626 -8.284 1.996 460 HA VAL 60 HA VAL 60 -4.498 -6.502 3.935 461 HB VAL 60 HB VAL 60 -4.021 -6.803 0.934 462 1HG1 VAL 60 1HG1 VAL 60 -3.162 -4.604 1.838 463 2HG1 VAL 60 2HG1 VAL 60 -1.837 -5.666 1.398 464 3HG1 VAL 60 3HG1 VAL 60 -2.297 -5.497 3.080 465 1HG2 VAL 60 1HG2 VAL 60 -2.514 -7.950 3.326 466 2HG2 VAL 60 2HG2 VAL 60 -2.053 -8.147 1.652 467 3HG2 VAL 60 3HG2 VAL 60 -3.544 -8.865 2.242 468 H GLU 61 H GLU 61 -6.771 -6.330 1.409 469 HA GLU 61 HA GLU 61 -6.858 -3.539 0.932 470 1HB GLU 61 1HB GLU 61 -7.852 -5.335 -0.519 471 2HB GLU 61 2HB GLU 61 -9.080 -5.617 0.703 472 1HG GLU 61 1HG GLU 61 -9.923 -3.338 0.451 473 2HG GLU 61 2HG GLU 61 -8.609 -2.941 -0.653 474 H GLU 62 H GLU 62 -7.945 -5.476 3.568 475 HA GLU 62 HA GLU 62 -9.990 -3.698 4.539 476 1HB GLU 62 1HB GLU 62 -9.765 -6.122 5.117 477 2HB GLU 62 2HB GLU 62 -8.291 -5.773 5.975 478 1HG GLU 62 1HG GLU 62 -10.265 -5.914 7.542 479 2HG GLU 62 2HG GLU 62 -9.433 -4.377 7.628 480 H MET 63 H MET 63 -6.561 -4.247 5.154 481 HA MET 63 HA MET 63 -6.282 -2.302 7.200 482 1HB MET 63 1HB MET 63 -4.301 -3.317 5.228 483 2HB MET 63 2HB MET 63 -3.857 -2.294 6.583 484 1HG MET 63 1HG MET 63 -5.073 -5.063 6.685 485 2HG MET 63 2HG MET 63 -3.480 -4.571 7.199 486 1HE MET 63 1HE MET 63 -6.836 -5.434 7.964 487 2HE MET 63 2HE MET 63 -7.411 -3.806 8.380 488 3HE MET 63 3HE MET 63 -7.121 -5.016 9.633 489 H LYS 64 H LYS 64 -6.329 -2.128 3.731 490 HA LYS 64 HA LYS 64 -5.259 0.507 3.435 491 1HB LYS 64 1HB LYS 64 -7.272 -0.992 1.693 492 2HB LYS 64 2HB LYS 64 -6.497 0.474 1.185 493 1HG LYS 64 1HG LYS 64 -5.163 -2.195 1.782 494 2HG LYS 64 2HG LYS 64 -5.350 -1.456 0.213 495 1HD LYS 64 1HD LYS 64 -3.546 -0.500 2.475 496 2HD LYS 64 2HD LYS 64 -3.052 -1.189 0.952 497 1HE LYS 64 1HE LYS 64 -2.706 1.120 0.616 498 2HE LYS 64 2HE LYS 64 -4.253 0.842 -0.166 499 1HZ LYS 64 1HZ LYS 64 -3.852 1.927 2.558 500 2HZ LYS 64 2HZ LYS 64 -5.361 1.632 1.845 501 3HZ LYS 64 3HZ LYS 64 -4.331 2.793 1.183 502 H LYS 65 H LYS 65 -8.470 -0.710 4.196 503 HA LYS 65 HA LYS 65 -9.835 1.736 3.814 504 1HB LYS 65 1HB LYS 65 -10.907 -0.525 3.992 505 2HB LYS 65 2HB LYS 65 -10.430 -0.605 5.669 506 1HG LYS 65 1HG LYS 65 -12.782 0.041 5.516 507 2HG LYS 65 2HG LYS 65 -11.847 1.346 6.214 508 1HD LYS 65 1HD LYS 65 -11.798 2.497 3.982 509 2HD LYS 65 2HD LYS 65 -12.712 1.170 3.285 510 1HE LYS 65 1HE LYS 65 -14.599 1.672 4.828 511 2HE LYS 65 2HE LYS 65 -13.666 2.981 5.545 512 1HZ LYS 65 1HZ LYS 65 -13.592 4.063 3.403 513 2HZ LYS 65 2HZ LYS 65 -15.196 3.788 3.885 514 3HZ LYS 65 3HZ LYS 65 -14.483 2.798 2.704 515 H GLN 66 H GLN 66 -8.008 0.426 6.479 516 HA GLN 66 HA GLN 66 -8.814 2.321 8.431 517 1HB GLN 66 1HB GLN 66 -6.144 0.856 8.325 518 2HB GLN 66 2HB GLN 66 -7.056 1.320 9.747 519 1HG GLN 66 1HG GLN 66 -7.827 -0.839 7.746 520 2HG GLN 66 2HG GLN 66 -7.296 -1.095 9.376 521 1HE2 GLN 66 1HE2 GLN 66 -8.772 0.130 11.084 522 2HE2 GLN 66 2HE2 GLN 66 -10.443 0.046 10.792 523 H ILE 67 H ILE 67 -6.266 2.101 6.075 524 HA ILE 67 HA ILE 67 -4.772 4.433 6.805 525 HB ILE 67 HB ILE 67 -5.112 2.829 4.273 526 1HG1 ILE 67 1HG1 ILE 67 -2.957 2.932 6.434 527 2HG1 ILE 67 2HG1 ILE 67 -4.171 1.699 6.341 528 1HG2 ILE 67 1HG2 ILE 67 -3.005 4.963 4.871 529 2HG2 ILE 67 2HG2 ILE 67 -4.252 5.035 3.630 530 3HG2 ILE 67 3HG2 ILE 67 -2.956 3.876 3.493 531 1HD1 ILE 67 1HD1 ILE 67 -2.075 0.836 5.420 532 2HD1 ILE 67 2HD1 ILE 67 -1.992 2.144 4.254 533 3HD1 ILE 67 3HD1 ILE 67 -3.266 0.939 4.142 534 H GLU 68 H GLU 68 -7.577 3.796 4.977 535 HA GLU 68 HA GLU 68 -7.812 6.515 3.845 536 1HB GLU 68 1HB GLU 68 -9.582 4.075 3.783 537 2HB GLU 68 2HB GLU 68 -9.985 5.589 2.997 538 1HG GLU 68 1HG GLU 68 -8.014 5.447 1.582 539 2HG GLU 68 2HG GLU 68 -7.400 4.049 2.423 540 H ALA 69 H ALA 69 -8.841 4.769 6.596 541 HA ALA 69 HA ALA 69 -11.074 6.516 7.259 542 1HB ALA 69 1HB ALA 69 -10.987 4.166 8.030 543 2HB ALA 69 2HB ALA 69 -11.063 5.267 9.399 544 3HB ALA 69 3HB ALA 69 -9.535 4.520 8.957 545 H MET 70 H MET 70 -7.673 6.217 8.102 546 HA MET 70 HA MET 70 -7.710 8.213 10.125 547 1HB MET 70 1HB MET 70 -5.287 7.833 10.102 548 2HB MET 70 2HB MET 70 -6.162 6.322 10.118 549 1HG MET 70 1HG MET 70 -4.471 5.987 8.577 550 2HG MET 70 2HG MET 70 -5.895 6.263 7.637 551 1HE MET 70 1HE MET 70 -2.004 8.404 7.772 552 2HE MET 70 2HE MET 70 -2.209 6.895 6.861 553 3HE MET 70 3HE MET 70 -2.563 6.974 8.589 554 H GLY 71 H GLY 71 -7.752 8.343 6.746 555 1HA GLY 71 1HA GLY 71 -8.175 10.727 6.015 556 2HA GLY 71 2HA GLY 71 -6.650 11.117 6.767 557 H PHE 72 H PHE 72 -6.022 8.264 5.198 558 HA PHE 72 HA PHE 72 -5.023 9.788 2.822 559 1HB PHE 72 1HB PHE 72 -4.112 7.039 3.758 560 2HB PHE 72 2HB PHE 72 -3.534 7.960 2.409 561 HD1 PHE 72 HD1 PHE 72 -1.417 7.206 3.709 562 HD2 PHE 72 HD2 PHE 72 -4.012 10.314 5.052 563 HE1 PHE 72 HE1 PHE 72 0.387 8.137 5.071 564 HE2 PHE 72 HE2 PHE 72 -2.227 11.214 6.400 565 HZ PHE 72 HZ PHE 72 -0.011 10.149 6.426 566 HA PRO 73 HA PRO 73 -8.429 7.380 0.781 567 1HB PRO 73 1HB PRO 73 -7.843 8.928 -1.572 568 2HB PRO 73 2HB PRO 73 -9.300 8.910 -0.591 569 1HG PRO 73 1HG PRO 73 -7.184 10.926 -0.646 570 2HG PRO 73 2HG PRO 73 -8.731 10.998 0.185 571 1HD PRO 73 1HD PRO 73 -6.196 10.689 1.414 572 2HD PRO 73 2HD PRO 73 -7.767 10.441 2.201 573 H ALA 74 H ALA 74 -8.032 5.624 -0.320 574 HA ALA 74 HA ALA 74 -5.376 5.285 -1.645 575 1HB ALA 74 1HB ALA 74 -7.010 3.179 -0.138 576 2HB ALA 74 2HB ALA 74 -5.573 3.984 0.468 577 3HB ALA 74 3HB ALA 74 -5.462 2.888 -0.890 578 H PHE 75 H PHE 75 -5.382 4.777 -3.638 579 HA PHE 75 HA PHE 75 -7.924 4.347 -5.028 580 1HB PHE 75 1HB PHE 75 -5.172 4.813 -6.271 581 2HB PHE 75 2HB PHE 75 -6.738 5.078 -7.006 582 HD1 PHE 75 HD1 PHE 75 -8.074 7.073 -6.421 583 HD2 PHE 75 HD2 PHE 75 -4.337 6.340 -4.505 584 HE1 PHE 75 HE1 PHE 75 -8.075 9.357 -5.523 585 HE2 PHE 75 HE2 PHE 75 -4.342 8.621 -3.612 586 HZ PHE 75 HZ PHE 75 -6.214 10.136 -4.118 587 H VAL 76 H VAL 76 -7.778 2.200 -3.831 588 HA VAL 76 HA VAL 76 -6.113 0.112 -5.053 589 HB VAL 76 HB VAL 76 -8.518 -0.117 -3.151 590 1HG1 VAL 76 1HG1 VAL 76 -6.283 -2.088 -3.806 591 2HG1 VAL 76 2HG1 VAL 76 -7.957 -2.252 -4.298 592 3HG1 VAL 76 3HG1 VAL 76 -7.533 -2.345 -2.599 593 1HG2 VAL 76 1HG2 VAL 76 -5.550 0.023 -2.513 594 2HG2 VAL 76 2HG2 VAL 76 -6.821 -0.281 -1.338 595 3HG2 VAL 76 3HG2 VAL 76 -6.725 1.271 -2.151 596 H LYS 77 H LYS 77 -6.708 0.437 -7.196 597 HA LYS 77 HA LYS 77 -9.332 -0.755 -7.974 598 1HB LYS 77 1HB LYS 77 -8.130 1.752 -9.225 599 2HB LYS 77 2HB LYS 77 -9.625 0.977 -9.714 600 1HG LYS 77 1HG LYS 77 -10.590 1.418 -7.450 601 2HG LYS 77 2HG LYS 77 -9.099 2.217 -6.976 602 1HD LYS 77 1HD LYS 77 -9.404 3.880 -8.812 603 2HD LYS 77 2HD LYS 77 -10.914 3.104 -9.255 604 1HE LYS 77 1HE LYS 77 -11.361 5.062 -7.818 605 2HE LYS 77 2HE LYS 77 -11.809 3.596 -6.959 606 1HZ LYS 77 1HZ LYS 77 -9.162 4.878 -6.667 607 2HZ LYS 77 2HZ LYS 77 -9.859 3.684 -5.683 608 3HZ LYS 77 3HZ LYS 77 -10.489 5.261 -5.679 609 H LYS 78 H LYS 78 -6.072 -1.029 -8.222 610 HA LYS 78 HA LYS 78 -5.757 -1.574 -11.006 611 1HB LYS 78 1HB LYS 78 -3.966 -1.105 -9.120 612 2HB LYS 78 2HB LYS 78 -4.021 -2.819 -8.839 613 1HG LYS 78 1HG LYS 78 -3.307 -1.393 -11.446 614 2HG LYS 78 2HG LYS 78 -2.178 -2.203 -10.397 615 1HD LYS 78 1HD LYS 78 -4.388 -3.698 -11.862 616 2HD LYS 78 2HD LYS 78 -2.826 -3.404 -12.551 617 1HE LYS 78 1HE LYS 78 -2.902 -5.648 -11.602 618 2HE LYS 78 2HE LYS 78 -1.759 -4.679 -10.701 619 1HZ LYS 78 1HZ LYS 78 -3.252 -6.076 -9.350 620 2HZ LYS 78 2HZ LYS 78 -4.563 -5.139 -9.878 621 3HZ LYS 78 3HZ LYS 78 -3.323 -4.432 -8.949 622 H GLN 79 H GLN 79 -6.609 -3.269 -12.049 623 HA GLN 79 HA GLN 79 -7.235 -5.768 -10.521 624 1HB GLN 79 1HB GLN 79 -8.612 -4.864 -13.107 625 2HB GLN 79 2HB GLN 79 -9.040 -6.204 -12.081 626 1HG GLN 79 1HG GLN 79 -9.180 -3.268 -11.295 627 2HG GLN 79 2HG GLN 79 -10.541 -4.310 -11.657 628 1HE2 GLN 79 1HE2 GLN 79 -8.686 -3.113 -9.115 629 2HE2 GLN 79 2HE2 GLN 79 -9.116 -4.249 -7.928 630 HA PRO 80 HA PRO 80 -5.509 -7.457 -14.541 631 1HB PRO 80 1HB PRO 80 -4.582 -5.852 -16.569 632 2HB PRO 80 2HB PRO 80 -6.269 -6.285 -16.369 633 1HG PRO 80 1HG PRO 80 -4.955 -3.686 -15.844 634 2HG PRO 80 2HG PRO 80 -6.647 -4.026 -16.179 635 1HD PRO 80 1HD PRO 80 -5.419 -3.547 -13.613 636 2HD PRO 80 2HD PRO 80 -7.118 -3.909 -13.935 637 H LYS 81 H LYS 81 -3.418 -4.647 -14.969 638 HA LYS 81 HA LYS 81 -1.320 -5.494 -13.182 639 1HB LYS 81 1HB LYS 81 0.340 -6.281 -14.737 640 2HB LYS 81 2HB LYS 81 -1.095 -7.210 -15.074 641 1HG LYS 81 1HG LYS 81 -0.121 -4.813 -16.692 642 2HG LYS 81 2HG LYS 81 0.039 -6.493 -17.143 643 1HD LYS 81 1HD LYS 81 -2.474 -6.696 -17.185 644 2HD LYS 81 2HD LYS 81 -2.584 -4.979 -16.836 645 1HE LYS 81 1HE LYS 81 -2.801 -5.370 -19.254 646 2HE LYS 81 2HE LYS 81 -1.368 -4.422 -18.895 647 1HZ LYS 81 1HZ LYS 81 -1.289 -7.362 -19.187 648 2HZ LYS 81 2HZ LYS 81 0.008 -6.267 -19.225 649 3HZ LYS 81 3HZ LYS 81 -1.104 -6.309 -20.507 650 H TYR 82 H TYR 82 -2.636 -3.470 -15.552 651 HA TYR 82 HA TYR 82 -2.265 -1.297 -16.245 652 1HB TYR 82 1HB TYR 82 -2.480 -0.959 -13.727 653 2HB TYR 82 2HB TYR 82 -0.736 -1.077 -13.584 654 HD1 TYR 82 HD1 TYR 82 -3.365 0.832 -15.454 655 HD2 TYR 82 HD2 TYR 82 0.544 0.916 -13.761 656 HE1 TYR 82 HE1 TYR 82 -3.185 3.215 -15.976 657 HE2 TYR 82 HE2 TYR 82 0.717 3.300 -14.285 658 HH TYR 82 HH TYR 82 -1.977 5.167 -15.274 659 H LEU 83 H LEU 83 -0.803 -2.748 -17.687 660 HA LEU 83 HA LEU 83 2.060 -2.411 -17.451 661 1HB LEU 83 1HB LEU 83 1.049 -4.335 -18.663 662 2HB LEU 83 2HB LEU 83 0.332 -3.242 -19.829 663 HG LEU 83 HG LEU 83 2.636 -2.520 -20.549 664 1HD1 LEU 83 1HD1 LEU 83 3.863 -2.993 -18.423 665 2HD1 LEU 83 2HD1 LEU 83 4.603 -3.825 -19.774 666 3HD1 LEU 83 3HD1 LEU 83 3.588 -4.714 -18.649 667 1HD2 LEU 83 1HD2 LEU 83 1.488 -4.359 -21.741 668 2HD2 LEU 83 2HD2 LEU 83 2.166 -5.529 -20.621 669 3HD2 LEU 83 3HD2 LEU 83 3.219 -4.635 -21.706 670 H LYS 84 H LYS 84 2.663 -0.343 -17.379 671 HA LYS 84 HA LYS 84 1.574 1.740 -19.060 672 1HB LYS 84 1HB LYS 84 2.526 2.173 -16.796 673 2HB LYS 84 2HB LYS 84 4.097 1.651 -17.350 674 1HG LYS 84 1HG LYS 84 3.955 4.122 -17.313 675 2HG LYS 84 2HG LYS 84 4.240 3.530 -18.930 676 1HD LYS 84 1HD LYS 84 2.549 5.348 -18.908 677 2HD LYS 84 2HD LYS 84 1.855 3.869 -19.522 678 1HE LYS 84 1HE LYS 84 0.339 5.022 -17.908 679 2HE LYS 84 2HE LYS 84 0.792 3.439 -17.303 680 1HZ LYS 84 1HZ LYS 84 2.377 5.808 -16.582 681 2HZ LYS 84 2HZ LYS 84 2.191 4.341 -15.745 682 3HZ LYS 84 3HZ LYS 84 0.924 5.471 -15.767 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -4.525 -20.129 -14.857 2 2H GLY 1 2H GLY 1 -4.578 -21.466 -13.810 3 3H GLY 1 3H GLY 1 -3.101 -20.979 -14.493 4 1HA GLY 1 1HA GLY 1 -4.702 -19.591 -12.429 5 2HA GLY 1 2HA GLY 1 -3.051 -20.204 -12.297 6 H SER 2 H SER 2 -4.834 -18.204 -14.608 7 HA SER 2 HA SER 2 -4.277 -16.241 -15.738 8 1HB SER 2 1HB SER 2 -3.167 -15.575 -12.939 9 2HB SER 2 2HB SER 2 -3.591 -14.384 -14.178 10 HG SER 2 HG SER 2 -5.286 -16.326 -13.007 11 H MET 3 H MET 3 -1.612 -14.980 -14.280 12 HA MET 3 HA MET 3 0.142 -15.689 -16.487 13 1HB MET 3 1HB MET 3 0.161 -13.444 -15.356 14 2HB MET 3 2HB MET 3 0.731 -14.199 -13.881 15 1HG MET 3 1HG MET 3 2.766 -14.964 -15.047 16 2HG MET 3 2HG MET 3 2.192 -14.276 -16.541 17 1HE MET 3 1HE MET 3 2.944 -10.641 -16.398 18 2HE MET 3 2HE MET 3 1.465 -11.573 -16.515 19 3HE MET 3 3HE MET 3 2.918 -12.073 -17.414 20 H ALA 4 H ALA 4 -0.107 -16.440 -13.074 21 HA ALA 4 HA ALA 4 1.224 -19.018 -13.392 22 1HB ALA 4 1HB ALA 4 3.190 -17.495 -13.148 23 2HB ALA 4 2HB ALA 4 3.033 -18.525 -11.735 24 3HB ALA 4 3HB ALA 4 2.513 -16.848 -11.662 25 H GLN 5 H GLN 5 0.358 -16.566 -11.024 26 HA GLN 5 HA GLN 5 -0.809 -16.595 -9.047 27 1HB GLN 5 1HB GLN 5 -2.671 -17.020 -10.591 28 2HB GLN 5 2HB GLN 5 -2.350 -18.741 -10.571 29 1HG GLN 5 1HG GLN 5 -4.278 -18.070 -9.098 30 2HG GLN 5 2HG GLN 5 -3.019 -18.925 -8.231 31 1HE2 GLN 5 1HE2 GLN 5 -2.775 -18.005 -6.236 32 2HE2 GLN 5 2HE2 GLN 5 -2.796 -16.346 -5.893 33 H ALA 6 H ALA 6 0.598 -17.228 -7.531 34 HA ALA 6 HA ALA 6 0.852 -20.138 -6.873 35 1HB ALA 6 1HB ALA 6 2.939 -19.452 -5.699 36 2HB ALA 6 2HB ALA 6 2.630 -17.775 -6.128 37 3HB ALA 6 3HB ALA 6 2.969 -18.955 -7.384 38 H GLY 7 H GLY 7 -1.492 -19.120 -6.132 39 1HA GLY 7 1HA GLY 7 -2.934 -18.847 -4.307 40 2HA GLY 7 2HA GLY 7 -1.667 -19.603 -3.341 41 H GLU 8 H GLU 8 -1.305 -16.679 -5.165 42 HA GLU 8 HA GLU 8 -1.259 -15.012 -2.698 43 1HB GLU 8 1HB GLU 8 0.764 -13.843 -3.709 44 2HB GLU 8 2HB GLU 8 1.068 -15.502 -3.248 45 1HG GLU 8 1HG GLU 8 2.081 -15.013 -5.429 46 2HG GLU 8 2HG GLU 8 0.877 -16.275 -5.550 47 H VAL 9 H VAL 9 -1.038 -12.658 -3.358 48 HA VAL 9 HA VAL 9 -2.514 -11.918 -5.812 49 HB VAL 9 HB VAL 9 -4.171 -10.523 -4.508 50 1HG1 VAL 9 1HG1 VAL 9 -4.833 -12.713 -5.410 51 2HG1 VAL 9 2HG1 VAL 9 -5.649 -12.390 -3.892 52 3HG1 VAL 9 3HG1 VAL 9 -4.287 -13.495 -3.934 53 1HG2 VAL 9 1HG2 VAL 9 -4.556 -11.029 -2.108 54 2HG2 VAL 9 2HG2 VAL 9 -2.924 -10.424 -2.305 55 3HG2 VAL 9 3HG2 VAL 9 -3.213 -12.140 -2.095 56 H VAL 10 H VAL 10 -2.037 -10.005 -6.590 57 HA VAL 10 HA VAL 10 -0.234 -8.160 -5.061 58 HB VAL 10 HB VAL 10 0.721 -7.573 -7.349 59 1HG1 VAL 10 1HG1 VAL 10 0.828 -10.539 -6.646 60 2HG1 VAL 10 2HG1 VAL 10 1.843 -9.287 -5.956 61 3HG1 VAL 10 3HG1 VAL 10 1.991 -9.693 -7.651 62 1HG2 VAL 10 1HG2 VAL 10 -1.213 -8.277 -8.806 63 2HG2 VAL 10 2HG2 VAL 10 -0.939 -9.944 -8.335 64 3HG2 VAL 10 3HG2 VAL 10 0.269 -9.075 -9.264 65 H LEU 11 H LEU 11 -2.291 -7.312 -4.291 66 HA LEU 11 HA LEU 11 -4.211 -6.117 -6.006 67 1HB LEU 11 1HB LEU 11 -3.528 -5.741 -3.084 68 2HB LEU 11 2HB LEU 11 -4.733 -4.706 -3.803 69 HG LEU 11 HG LEU 11 -5.755 -6.635 -2.648 70 1HD1 LEU 11 1HD1 LEU 11 -6.955 -5.635 -4.571 71 2HD1 LEU 11 2HD1 LEU 11 -7.264 -7.359 -4.469 72 3HD1 LEU 11 3HD1 LEU 11 -6.156 -6.739 -5.675 73 1HD2 LEU 11 1HD2 LEU 11 -5.522 -8.912 -3.553 74 2HD2 LEU 11 2HD2 LEU 11 -3.954 -8.306 -3.044 75 3HD2 LEU 11 3HD2 LEU 11 -4.373 -8.348 -4.750 76 H LYS 12 H LYS 12 -1.242 -4.834 -5.146 77 HA LYS 12 HA LYS 12 -0.246 -2.713 -5.446 78 1HB LYS 12 1HB LYS 12 -2.124 -3.006 -7.849 79 2HB LYS 12 2HB LYS 12 -1.161 -1.564 -7.692 80 1HG LYS 12 1HG LYS 12 -0.056 -4.406 -7.775 81 2HG LYS 12 2HG LYS 12 -0.100 -3.317 -9.144 82 1HD LYS 12 1HD LYS 12 1.460 -2.840 -6.561 83 2HD LYS 12 2HD LYS 12 2.145 -3.322 -8.094 84 1HE LYS 12 1HE LYS 12 1.370 -1.158 -9.101 85 2HE LYS 12 2HE LYS 12 0.738 -0.672 -7.533 86 1HZ LYS 12 1HZ LYS 12 3.364 -0.510 -8.485 87 2HZ LYS 12 2HZ LYS 12 3.336 -1.507 -7.109 88 3HZ LYS 12 3HZ LYS 12 2.713 0.068 -7.030 89 H MET 13 H MET 13 -0.776 -1.611 -3.725 90 HA MET 13 HA MET 13 -3.270 -0.014 -3.703 91 1HB MET 13 1HB MET 13 -1.192 -0.469 -1.583 92 2HB MET 13 2HB MET 13 -2.770 0.244 -1.324 93 1HG MET 13 1HG MET 13 -2.861 -2.069 -0.564 94 2HG MET 13 2HG MET 13 -3.841 -1.915 -1.983 95 1HE MET 13 1HE MET 13 -0.353 -4.651 -1.217 96 2HE MET 13 2HE MET 13 -1.442 -3.898 -0.073 97 3HE MET 13 3HE MET 13 -0.159 -2.944 -0.855 98 H LYS 14 H LYS 14 -3.162 2.104 -3.898 99 HA LYS 14 HA LYS 14 -0.503 3.471 -4.031 100 1HB LYS 14 1HB LYS 14 -1.580 2.945 -6.222 101 2HB LYS 14 2HB LYS 14 -2.877 4.006 -5.744 102 1HG LYS 14 1HG LYS 14 0.026 4.916 -5.864 103 2HG LYS 14 2HG LYS 14 -1.026 5.021 -7.259 104 1HD LYS 14 1HD LYS 14 -2.587 6.490 -5.892 105 2HD LYS 14 2HD LYS 14 -1.406 6.453 -4.594 106 1HE LYS 14 1HE LYS 14 -1.169 8.502 -5.914 107 2HE LYS 14 2HE LYS 14 0.280 7.523 -5.997 108 1HZ LYS 14 1HZ LYS 14 -0.408 6.696 -8.131 109 2HZ LYS 14 2HZ LYS 14 -0.384 8.392 -8.146 110 3HZ LYS 14 3HZ LYS 14 -1.864 7.565 -8.039 111 H VAL 15 H VAL 15 -0.802 4.016 -1.881 112 HA VAL 15 HA VAL 15 -3.076 5.373 -0.848 113 HB VAL 15 HB VAL 15 -0.292 4.659 0.008 114 1HG1 VAL 15 1HG1 VAL 15 -0.351 5.989 2.060 115 2HG1 VAL 15 2HG1 VAL 15 -1.826 6.785 1.531 116 3HG1 VAL 15 3HG1 VAL 15 -0.310 7.062 0.672 117 1HG2 VAL 15 1HG2 VAL 15 -2.271 3.296 0.578 118 2HG2 VAL 15 2HG2 VAL 15 -2.944 4.668 1.455 119 3HG2 VAL 15 3HG2 VAL 15 -1.460 3.912 2.010 120 H GLU 16 H GLU 16 -3.012 7.537 0.080 121 HA GLU 16 HA GLU 16 -1.848 9.517 -1.826 122 1HB GLU 16 1HB GLU 16 -4.364 9.341 -1.781 123 2HB GLU 16 2HB GLU 16 -4.335 9.703 -0.065 124 1HG GLU 16 1HG GLU 16 -3.207 11.880 -0.570 125 2HG GLU 16 2HG GLU 16 -3.296 11.506 -2.285 126 H GLY 17 H GLY 17 -0.383 10.866 -0.912 127 1HA GLY 17 1HA GLY 17 0.281 10.603 1.876 128 2HA GLY 17 2HA GLY 17 1.131 11.584 0.696 129 H MET 18 H MET 18 -2.292 11.742 1.147 130 HA MET 18 HA MET 18 -3.756 13.453 1.644 131 1HB MET 18 1HB MET 18 -3.006 12.686 3.864 132 2HB MET 18 2HB MET 18 -1.717 13.863 3.896 133 1HG MET 18 1HG MET 18 -3.494 15.662 3.713 134 2HG MET 18 2HG MET 18 -4.703 14.414 3.811 135 1HE MET 18 1HE MET 18 -4.618 12.669 5.491 136 2HE MET 18 2HE MET 18 -5.610 13.563 6.639 137 3HE MET 18 3HE MET 18 -4.076 12.820 7.143 138 H THR 19 H THR 19 -1.370 15.453 3.062 139 HA THR 19 HA THR 19 -0.788 17.063 0.668 140 HB THR 19 HB THR 19 -1.574 19.199 1.911 141 HG1 THR 19 HG1 THR 19 -1.501 18.376 3.967 142 1HG2 THR 19 1HG2 THR 19 -3.838 17.128 1.709 143 2HG2 THR 19 2HG2 THR 19 -3.243 18.045 0.333 144 3HG2 THR 19 3HG2 THR 19 -4.013 18.872 1.676 145 H CYS 20 H CYS 20 -0.646 16.673 4.138 146 HA CYS 20 HA CYS 20 2.053 17.773 4.330 147 1HB CYS 20 1HB CYS 20 0.336 18.445 5.958 148 2HB CYS 20 2HB CYS 20 0.103 16.782 6.421 149 H HIS 21 H HIS 21 0.551 14.827 3.862 150 HA HIS 21 HA HIS 21 1.239 12.605 3.867 151 1HB HIS 21 1HB HIS 21 4.050 13.878 3.961 152 2HB HIS 21 2HB HIS 21 3.681 12.235 3.466 153 HD1 HIS 21 HD1 HIS 21 2.283 15.576 2.386 154 HD2 HIS 21 HD2 HIS 21 3.663 12.101 0.748 155 HE1 HIS 21 HE1 HIS 21 2.070 15.830 -0.057 156 H SER 22 H SER 22 4.040 12.287 5.436 157 HA SER 22 HA SER 22 4.668 11.564 7.545 158 1HB SER 22 1HB SER 22 2.375 13.360 8.539 159 2HB SER 22 2HB SER 22 3.720 12.755 9.505 160 HG SER 22 HG SER 22 5.120 13.753 7.924 161 H CYS 23 H CYS 23 3.478 10.806 9.744 162 HA CYS 23 HA CYS 23 2.374 9.072 10.772 163 1HB CYS 23 1HB CYS 23 0.456 10.528 10.196 164 2HB CYS 23 2HB CYS 23 0.248 9.672 8.693 165 H THR 24 H THR 24 3.572 8.594 7.720 166 HA THR 24 HA THR 24 2.356 6.027 7.163 167 HB THR 24 HB THR 24 4.135 5.771 5.429 168 HG1 THR 24 HG1 THR 24 5.039 8.123 6.762 169 1HG2 THR 24 1HG2 THR 24 2.180 7.378 4.893 170 2HG2 THR 24 2HG2 THR 24 3.669 7.841 4.093 171 3HG2 THR 24 3HG2 THR 24 3.142 8.700 5.524 172 H SER 25 H SER 25 4.433 6.914 9.563 173 HA SER 25 HA SER 25 6.348 4.736 9.555 174 1HB SER 25 1HB SER 25 6.686 6.866 10.888 175 2HB SER 25 2HB SER 25 5.320 6.413 11.922 176 HG SER 25 HG SER 25 6.402 4.528 12.461 177 H THR 26 H THR 26 3.088 5.163 10.588 178 HA THR 26 HA THR 26 2.843 2.908 12.326 179 HB THR 26 HB THR 26 0.335 3.232 11.920 180 HG1 THR 26 HG1 THR 26 0.011 5.056 10.391 181 1HG2 THR 26 1HG2 THR 26 0.186 5.623 12.567 182 2HG2 THR 26 2HG2 THR 26 1.820 5.930 12.006 183 3HG2 THR 26 3HG2 THR 26 1.552 4.937 13.429 184 H ILE 27 H ILE 27 2.571 3.395 8.916 185 HA ILE 27 HA ILE 27 1.361 1.075 7.950 186 HB ILE 27 HB ILE 27 3.761 2.503 6.724 187 1HG1 ILE 27 1HG1 ILE 27 1.957 4.101 7.386 188 2HG1 ILE 27 2HG1 ILE 27 2.211 4.050 5.663 189 1HG2 ILE 27 1HG2 ILE 27 3.257 0.457 5.516 190 2HG2 ILE 27 2HG2 ILE 27 2.823 1.857 4.555 191 3HG2 ILE 27 3HG2 ILE 27 1.571 0.921 5.358 192 1HD1 ILE 27 1HD1 ILE 27 -0.020 2.670 7.220 193 2HD1 ILE 27 2HD1 ILE 27 0.209 2.566 5.479 194 3HD1 ILE 27 3HD1 ILE 27 -0.184 4.105 6.223 195 H GLU 28 H GLU 28 4.600 1.524 9.136 196 HA GLU 28 HA GLU 28 5.983 -0.675 8.249 197 1HB GLU 28 1HB GLU 28 6.681 1.326 9.709 198 2HB GLU 28 2HB GLU 28 6.086 0.443 11.082 199 1HG GLU 28 1HG GLU 28 8.223 -0.578 9.199 200 2HG GLU 28 2HG GLU 28 8.520 0.162 10.766 201 H GLY 29 H GLY 29 4.642 -0.640 11.498 202 1HA GLY 29 1HA GLY 29 4.527 -3.554 11.643 203 2HA GLY 29 2HA GLY 29 4.044 -2.436 12.903 204 H LYS 30 H LYS 30 2.268 -1.081 10.855 205 HA LYS 30 HA LYS 30 -0.181 -2.393 11.535 206 1HB LYS 30 1HB LYS 30 -0.067 0.030 11.040 207 2HB LYS 30 2HB LYS 30 0.503 -0.302 9.421 208 1HG LYS 30 1HG LYS 30 -1.836 0.356 9.355 209 2HG LYS 30 2HG LYS 30 -1.697 -1.312 8.845 210 1HD LYS 30 1HD LYS 30 -2.464 -2.110 11.028 211 2HD LYS 30 2HD LYS 30 -2.421 -0.482 11.688 212 1HE LYS 30 1HE LYS 30 -4.190 0.229 10.117 213 2HE LYS 30 2HE LYS 30 -4.211 -1.357 9.367 214 1HZ LYS 30 1HZ LYS 30 -4.515 -1.476 12.206 215 2HZ LYS 30 2HZ LYS 30 -5.472 -2.158 10.979 216 3HZ LYS 30 3HZ LYS 30 -5.727 -0.549 11.461 217 H ILE 31 H ILE 31 1.923 -2.494 8.824 218 HA ILE 31 HA ILE 31 0.213 -4.429 7.421 219 HB ILE 31 HB ILE 31 2.621 -2.875 6.408 220 1HG1 ILE 31 1HG1 ILE 31 0.812 -1.283 6.985 221 2HG1 ILE 31 2HG1 ILE 31 0.993 -1.385 5.252 222 1HG2 ILE 31 1HG2 ILE 31 2.195 -4.883 5.080 223 2HG2 ILE 31 2HG2 ILE 31 1.758 -3.445 4.172 224 3HG2 ILE 31 3HG2 ILE 31 0.506 -4.446 4.890 225 1HD1 ILE 31 1HD1 ILE 31 -0.986 -2.904 5.136 226 2HD1 ILE 31 2HD1 ILE 31 -1.383 -1.381 5.909 227 3HD1 ILE 31 3HD1 ILE 31 -1.147 -2.816 6.884 228 H GLY 32 H GLY 32 3.156 -4.119 9.143 229 1HA GLY 32 1HA GLY 32 4.450 -6.464 8.106 230 2HA GLY 32 2HA GLY 32 4.983 -5.508 9.471 231 H LYS 33 H LYS 33 2.054 -5.908 10.404 232 HA LYS 33 HA LYS 33 2.615 -8.280 12.002 233 1HB LYS 33 1HB LYS 33 2.030 -6.245 13.141 234 2HB LYS 33 2HB LYS 33 0.559 -6.121 12.202 235 1HG LYS 33 1HG LYS 33 0.151 -6.893 14.528 236 2HG LYS 33 2HG LYS 33 -0.411 -8.068 13.370 237 1HD LYS 33 1HD LYS 33 1.761 -9.352 13.718 238 2HD LYS 33 2HD LYS 33 2.230 -8.160 14.918 239 1HE LYS 33 1HE LYS 33 -0.263 -9.915 15.064 240 2HE LYS 33 2HE LYS 33 1.219 -10.180 15.972 241 1HZ LYS 33 1HZ LYS 33 -0.239 -9.057 17.389 242 2HZ LYS 33 2HZ LYS 33 -0.672 -7.924 16.202 243 3HZ LYS 33 3HZ LYS 33 0.882 -7.886 16.884 244 H LEU 34 H LEU 34 1.191 -7.793 9.093 245 HA LEU 34 HA LEU 34 -1.229 -9.237 9.409 246 1HB LEU 34 1HB LEU 34 0.381 -8.420 6.995 247 2HB LEU 34 2HB LEU 34 -1.265 -9.015 6.914 248 HG LEU 34 HG LEU 34 -0.309 -6.463 8.314 249 1HD1 LEU 34 1HD1 LEU 34 -1.656 -5.346 6.551 250 2HD1 LEU 34 2HD1 LEU 34 -2.109 -6.911 5.907 251 3HD1 LEU 34 3HD1 LEU 34 -0.437 -6.373 5.827 252 1HD2 LEU 34 1HD2 LEU 34 -3.151 -7.563 8.101 253 2HD2 LEU 34 2HD2 LEU 34 -2.695 -6.017 8.798 254 3HD2 LEU 34 3HD2 LEU 34 -2.212 -7.489 9.584 255 H GLN 35 H GLN 35 -1.087 -11.237 10.057 256 HA GLN 35 HA GLN 35 0.956 -13.085 9.205 257 1HB GLN 35 1HB GLN 35 -1.646 -13.503 10.724 258 2HB GLN 35 2HB GLN 35 -0.428 -14.750 10.486 259 1HG GLN 35 1HG GLN 35 1.265 -13.391 11.648 260 2HG GLN 35 2HG GLN 35 0.127 -12.061 11.829 261 1HE2 GLN 35 1HE2 GLN 35 -1.022 -12.039 13.750 262 2HE2 GLN 35 2HE2 GLN 35 -1.230 -13.374 14.779 263 H GLY 36 H GLY 36 0.984 -14.066 7.401 264 1HA GLY 36 1HA GLY 36 0.004 -15.730 5.904 265 2HA GLY 36 2HA GLY 36 -1.477 -14.773 5.927 266 H VAL 37 H VAL 37 1.221 -12.867 5.965 267 HA VAL 37 HA VAL 37 0.920 -12.059 3.164 268 HB VAL 37 HB VAL 37 2.188 -10.755 5.661 269 1HG1 VAL 37 1HG1 VAL 37 2.355 -9.764 2.773 270 2HG1 VAL 37 2HG1 VAL 37 3.734 -10.351 3.692 271 3HG1 VAL 37 3HG1 VAL 37 2.897 -8.899 4.207 272 1HG2 VAL 37 1HG2 VAL 37 0.565 -9.032 5.053 273 2HG2 VAL 37 2HG2 VAL 37 -0.232 -10.595 5.249 274 3HG2 VAL 37 3HG2 VAL 37 0.077 -9.948 3.650 275 H GLN 38 H GLN 38 2.451 -12.273 1.663 276 HA GLN 38 HA GLN 38 4.726 -14.077 2.304 277 1HB GLN 38 1HB GLN 38 3.732 -13.132 -0.422 278 2HB GLN 38 2HB GLN 38 4.810 -14.466 -0.092 279 1HG GLN 38 1HG GLN 38 3.122 -15.886 0.409 280 2HG GLN 38 2HG GLN 38 2.262 -14.726 1.391 281 1HE2 GLN 38 1HE2 GLN 38 0.902 -16.430 -0.384 282 2HE2 GLN 38 2HE2 GLN 38 0.214 -15.461 -1.596 283 H ARG 39 H ARG 39 4.431 -11.534 -0.084 284 HA ARG 39 HA ARG 39 7.103 -10.485 0.680 285 1HB ARG 39 1HB ARG 39 6.541 -11.097 -1.754 286 2HB ARG 39 2HB ARG 39 5.391 -9.779 -1.739 287 1HG ARG 39 1HG ARG 39 7.479 -9.024 -2.757 288 2HG ARG 39 2HG ARG 39 7.165 -8.152 -1.276 289 1HD ARG 39 1HD ARG 39 9.573 -8.867 -1.489 290 2HD ARG 39 2HD ARG 39 8.821 -9.539 -0.057 291 HE ARG 39 HE ARG 39 9.036 -11.679 -0.995 292 1HH1 ARG 39 1HH1 ARG 39 9.435 -9.250 -3.439 293 2HH1 ARG 39 2HH1 ARG 39 9.925 -10.389 -4.647 294 1HH2 ARG 39 1HH2 ARG 39 9.653 -13.132 -2.509 295 2HH2 ARG 39 2HH2 ARG 39 10.051 -12.617 -4.114 296 H ILE 40 H ILE 40 7.368 -8.206 1.021 297 HA ILE 40 HA ILE 40 4.958 -6.586 1.309 298 HB ILE 40 HB ILE 40 4.939 -7.811 3.400 299 1HG1 ILE 40 1HG1 ILE 40 6.071 -5.023 3.946 300 2HG1 ILE 40 2HG1 ILE 40 4.406 -5.364 3.553 301 1HG2 ILE 40 1HG2 ILE 40 7.288 -8.582 3.440 302 2HG2 ILE 40 2HG2 ILE 40 6.852 -7.879 4.979 303 3HG2 ILE 40 3HG2 ILE 40 7.838 -6.969 3.857 304 1HD1 ILE 40 1HD1 ILE 40 4.647 -5.086 5.967 305 2HD1 ILE 40 2HD1 ILE 40 5.829 -6.377 6.037 306 3HD1 ILE 40 3HD1 ILE 40 4.165 -6.732 5.595 307 H LYS 41 H LYS 41 5.439 -4.636 0.468 308 HA LYS 41 HA LYS 41 7.720 -3.132 1.421 309 1HB LYS 41 1HB LYS 41 8.917 -2.879 -0.696 310 2HB LYS 41 2HB LYS 41 8.866 -4.575 -0.296 311 1HG LYS 41 1HG LYS 41 6.974 -3.256 -2.289 312 2HG LYS 41 2HG LYS 41 8.473 -4.043 -2.725 313 1HD LYS 41 1HD LYS 41 7.580 -6.145 -1.576 314 2HD LYS 41 2HD LYS 41 6.018 -5.339 -1.486 315 1HE LYS 41 1HE LYS 41 6.025 -5.031 -3.959 316 2HE LYS 41 2HE LYS 41 7.577 -5.847 -4.052 317 1HZ LYS 41 1HZ LYS 41 5.082 -6.990 -4.102 318 2HZ LYS 41 2HZ LYS 41 5.737 -7.410 -2.594 319 3HZ LYS 41 3HZ LYS 41 6.582 -7.785 -4.019 320 H VAL 42 H VAL 42 7.829 -1.033 0.487 321 HA VAL 42 HA VAL 42 5.253 -0.095 -0.694 322 HB VAL 42 HB VAL 42 6.969 1.252 1.452 323 1HG1 VAL 42 1HG1 VAL 42 5.931 2.914 -0.099 324 2HG1 VAL 42 2HG1 VAL 42 5.209 2.982 1.492 325 3HG1 VAL 42 3HG1 VAL 42 4.355 2.185 0.176 326 1HG2 VAL 42 1HG2 VAL 42 4.966 0.923 2.898 327 2HG2 VAL 42 2HG2 VAL 42 5.566 -0.621 2.326 328 3HG2 VAL 42 3HG2 VAL 42 4.143 0.093 1.587 329 H SER 43 H SER 43 5.410 1.174 -2.396 330 HA SER 43 HA SER 43 8.102 1.915 -3.416 331 1HB SER 43 1HB SER 43 5.415 1.574 -4.843 332 2HB SER 43 2HB SER 43 6.966 1.912 -5.603 333 HG SER 43 HG SER 43 6.251 -0.324 -4.033 334 H LEU 44 H LEU 44 7.890 3.854 -4.880 335 HA LEU 44 HA LEU 44 7.212 6.154 -3.243 336 1HB LEU 44 1HB LEU 44 8.145 5.868 -6.149 337 2HB LEU 44 2HB LEU 44 7.926 7.425 -5.386 338 HG LEU 44 HG LEU 44 9.621 6.818 -3.647 339 1HD1 LEU 44 1HD1 LEU 44 11.169 4.922 -4.089 340 2HD1 LEU 44 2HD1 LEU 44 10.143 4.379 -5.407 341 3HD1 LEU 44 3HD1 LEU 44 9.564 4.333 -3.747 342 1HD2 LEU 44 1HD2 LEU 44 10.243 8.148 -5.632 343 2HD2 LEU 44 2HD2 LEU 44 10.562 6.679 -6.541 344 3HD2 LEU 44 3HD2 LEU 44 11.572 7.102 -5.168 345 H ASP 45 H ASP 45 6.188 7.800 -5.539 346 HA ASP 45 HA ASP 45 4.099 8.545 -6.245 347 1HB ASP 45 1HB ASP 45 4.457 6.653 -7.835 348 2HB ASP 45 2HB ASP 45 3.790 5.513 -6.689 349 H ASN 46 H ASN 46 4.192 8.781 -3.769 350 HA ASN 46 HA ASN 46 3.119 8.884 -1.721 351 1HB ASN 46 1HB ASN 46 0.703 8.520 -3.568 352 2HB ASN 46 2HB ASN 46 0.603 9.058 -1.895 353 1HD2 ASN 46 1HD2 ASN 46 2.123 9.911 -5.025 354 2HD2 ASN 46 2HD2 ASN 46 2.155 11.583 -4.729 355 H GLN 47 H GLN 47 4.079 6.958 -1.000 356 HA GLN 47 HA GLN 47 4.209 4.740 -0.307 357 1HB GLN 47 1HB GLN 47 2.983 6.126 1.402 358 2HB GLN 47 2HB GLN 47 1.479 5.604 0.692 359 1HG GLN 47 1HG GLN 47 2.290 3.146 1.232 360 2HG GLN 47 2HG GLN 47 3.514 3.933 2.213 361 1HE2 GLN 47 1HE2 GLN 47 2.230 5.977 3.474 362 2HE2 GLN 47 2HE2 GLN 47 0.940 5.389 4.410 363 H GLU 48 H GLU 48 3.824 4.218 -2.766 364 HA GLU 48 HA GLU 48 1.248 2.902 -3.267 365 1HB GLU 48 1HB GLU 48 2.528 4.073 -5.086 366 2HB GLU 48 2HB GLU 48 3.818 2.899 -4.929 367 1HG GLU 48 1HG GLU 48 2.242 1.075 -5.555 368 2HG GLU 48 2HG GLU 48 0.916 2.222 -5.606 369 H ALA 49 H ALA 49 1.239 1.524 -1.558 370 HA ALA 49 HA ALA 49 3.288 -0.374 -0.925 371 1HB ALA 49 1HB ALA 49 1.488 -1.324 0.539 372 2HB ALA 49 2HB ALA 49 0.320 -0.294 -0.251 373 3HB ALA 49 3HB ALA 49 1.616 0.412 0.690 374 H THR 50 H THR 50 3.640 -2.455 -1.618 375 HA THR 50 HA THR 50 1.641 -3.676 -3.461 376 HB THR 50 HB THR 50 4.653 -3.364 -3.947 377 HG1 THR 50 HG1 THR 50 3.376 -1.525 -4.280 378 1HG2 THR 50 1HG2 THR 50 2.412 -4.511 -5.763 379 2HG2 THR 50 2HG2 THR 50 3.617 -5.525 -5.014 380 3HG2 THR 50 3HG2 THR 50 4.097 -4.356 -6.223 381 H ILE 51 H ILE 51 1.647 -4.291 -0.948 382 HA ILE 51 HA ILE 51 3.503 -6.387 -0.203 383 HB ILE 51 HB ILE 51 0.805 -5.548 0.935 384 1HG1 ILE 51 1HG1 ILE 51 2.440 -4.898 2.873 385 2HG1 ILE 51 2HG1 ILE 51 3.697 -5.035 1.669 386 1HG2 ILE 51 1HG2 ILE 51 2.805 -7.513 2.110 387 2HG2 ILE 51 2HG2 ILE 51 1.230 -7.954 1.464 388 3HG2 ILE 51 3HG2 ILE 51 1.346 -6.945 2.895 389 1HD1 ILE 51 1HD1 ILE 51 1.326 -3.235 1.420 390 2HD1 ILE 51 2HD1 ILE 51 2.672 -3.339 0.286 391 3HD1 ILE 51 3HD1 ILE 51 2.949 -2.748 1.908 392 H VAL 52 H VAL 52 3.389 -8.476 -0.943 393 HA VAL 52 HA VAL 52 0.963 -9.298 -2.410 394 HB VAL 52 HB VAL 52 3.654 -10.740 -2.233 395 1HG1 VAL 52 1HG1 VAL 52 1.722 -12.049 -3.044 396 2HG1 VAL 52 2HG1 VAL 52 2.898 -11.789 -4.323 397 3HG1 VAL 52 3HG1 VAL 52 1.415 -10.843 -4.278 398 1HG2 VAL 52 1HG2 VAL 52 3.992 -8.451 -3.097 399 2HG2 VAL 52 2HG2 VAL 52 2.696 -8.677 -4.250 400 3HG2 VAL 52 3HG2 VAL 52 4.182 -9.616 -4.401 401 H TYR 53 H TYR 53 -0.180 -10.943 -1.631 402 HA TYR 53 HA TYR 53 0.817 -12.489 0.670 403 1HB TYR 53 1HB TYR 53 -1.128 -11.801 2.122 404 2HB TYR 53 2HB TYR 53 -0.005 -10.498 1.751 405 HD1 TYR 53 HD1 TYR 53 -0.662 -8.746 0.088 406 HD2 TYR 53 HD2 TYR 53 -3.400 -11.740 1.351 407 HE1 TYR 53 HE1 TYR 53 -2.522 -7.404 -0.774 408 HE2 TYR 53 HE2 TYR 53 -5.260 -10.404 0.488 409 HH TYR 53 HH TYR 53 -5.162 -7.294 -0.101 410 H GLN 54 H GLN 54 -0.974 -13.810 1.658 411 HA GLN 54 HA GLN 54 -2.125 -15.472 -0.476 412 1HB GLN 54 1HB GLN 54 -2.123 -15.823 2.534 413 2HB GLN 54 2HB GLN 54 -2.607 -17.027 1.349 414 1HG GLN 54 1HG GLN 54 -0.377 -17.279 0.532 415 2HG GLN 54 2HG GLN 54 0.185 -15.838 1.386 416 1HE2 GLN 54 1HE2 GLN 54 0.766 -16.024 3.552 417 2HE2 GLN 54 2HE2 GLN 54 0.774 -17.480 4.414 418 HA PRO 55 HA PRO 55 -5.900 -13.105 0.196 419 1HB PRO 55 1HB PRO 55 -7.568 -14.540 -1.493 420 2HB PRO 55 2HB PRO 55 -6.460 -13.279 -2.021 421 1HG PRO 55 1HG PRO 55 -6.163 -16.256 -2.189 422 2HG PRO 55 2HG PRO 55 -5.570 -15.035 -3.299 423 1HD PRO 55 1HD PRO 55 -3.993 -16.357 -1.398 424 2HD PRO 55 2HD PRO 55 -3.569 -14.782 -2.098 425 H HIS 56 H HIS 56 -6.275 -16.563 -0.143 426 HA HIS 56 HA HIS 56 -8.525 -17.057 1.427 427 1HB HIS 56 1HB HIS 56 -7.612 -19.394 1.590 428 2HB HIS 56 2HB HIS 56 -7.529 -18.737 -0.038 429 HD1 HIS 56 HD1 HIS 56 -5.226 -18.795 -1.032 430 HD2 HIS 56 HD2 HIS 56 -5.007 -19.110 3.028 431 HE1 HIS 56 HE1 HIS 56 -2.852 -19.204 -0.497 432 H LEU 57 H LEU 57 -5.320 -16.374 2.517 433 HA LEU 57 HA LEU 57 -5.913 -17.211 5.245 434 1HB LEU 57 1HB LEU 57 -3.678 -17.311 3.644 435 2HB LEU 57 2HB LEU 57 -3.348 -15.882 4.566 436 HG LEU 57 HG LEU 57 -3.493 -17.092 6.693 437 1HD1 LEU 57 1HD1 LEU 57 -3.780 -19.563 6.708 438 2HD1 LEU 57 2HD1 LEU 57 -4.037 -19.570 4.972 439 3HD1 LEU 57 3HD1 LEU 57 -5.225 -18.850 6.041 440 1HD2 LEU 57 1HD2 LEU 57 -1.893 -18.579 4.578 441 2HD2 LEU 57 2HD2 LEU 57 -1.521 -18.557 6.295 442 3HD2 LEU 57 3HD2 LEU 57 -1.387 -17.088 5.338 443 H ILE 58 H ILE 58 -4.960 -14.253 3.587 444 HA ILE 58 HA ILE 58 -6.393 -12.690 5.582 445 HB ILE 58 HB ILE 58 -4.220 -13.112 6.618 446 1HG1 ILE 58 1HG1 ILE 58 -4.261 -10.179 5.787 447 2HG1 ILE 58 2HG1 ILE 58 -5.397 -10.853 6.943 448 1HG2 ILE 58 1HG2 ILE 58 -3.041 -11.682 4.173 449 2HG2 ILE 58 2HG2 ILE 58 -2.871 -13.390 4.534 450 3HG2 ILE 58 3HG2 ILE 58 -2.110 -12.198 5.566 451 1HD1 ILE 58 1HD1 ILE 58 -3.501 -11.549 8.391 452 2HD1 ILE 58 2HD1 ILE 58 -3.462 -9.823 8.089 453 3HD1 ILE 58 3HD1 ILE 58 -2.361 -10.884 7.231 454 H SER 59 H SER 59 -6.281 -10.335 5.181 455 HA SER 59 HA SER 59 -5.945 -9.589 2.312 456 1HB SER 59 1HB SER 59 -8.074 -8.264 2.542 457 2HB SER 59 2HB SER 59 -8.342 -10.009 2.671 458 HG SER 59 HG SER 59 -8.221 -8.055 4.698 459 H VAL 60 H VAL 60 -4.420 -8.202 2.289 460 HA VAL 60 HA VAL 60 -3.736 -6.462 4.469 461 HB VAL 60 HB VAL 60 -2.817 -6.539 1.565 462 1HG1 VAL 60 1HG1 VAL 60 -0.821 -5.245 2.357 463 2HG1 VAL 60 2HG1 VAL 60 -1.539 -5.118 3.952 464 3HG1 VAL 60 3HG1 VAL 60 -2.294 -4.329 2.579 465 1HG2 VAL 60 1HG2 VAL 60 -0.847 -7.759 2.464 466 2HG2 VAL 60 2HG2 VAL 60 -2.327 -8.623 2.832 467 3HG2 VAL 60 3HG2 VAL 60 -1.521 -7.695 4.078 468 H GLU 61 H GLU 61 -5.715 -6.341 1.719 469 HA GLU 61 HA GLU 61 -5.951 -3.572 1.234 470 1HB GLU 61 1HB GLU 61 -6.720 -5.476 -0.230 471 2HB GLU 61 2HB GLU 61 -8.034 -5.772 0.893 472 1HG GLU 61 1HG GLU 61 -8.963 -3.552 0.466 473 2HG GLU 61 2HG GLU 61 -7.585 -3.137 -0.549 474 H GLU 62 H GLU 62 -7.060 -5.476 3.838 475 HA GLU 62 HA GLU 62 -9.293 -3.826 4.657 476 1HB GLU 62 1HB GLU 62 -8.906 -6.263 5.244 477 2HB GLU 62 2HB GLU 62 -7.544 -5.779 6.223 478 1HG GLU 62 1HG GLU 62 -9.041 -4.434 7.694 479 2HG GLU 62 2HG GLU 62 -10.417 -4.835 6.681 480 H MET 63 H MET 63 -5.894 -4.148 5.504 481 HA MET 63 HA MET 63 -5.831 -2.155 7.508 482 1HB MET 63 1HB MET 63 -3.753 -3.280 5.714 483 2HB MET 63 2HB MET 63 -3.353 -2.010 6.856 484 1HG MET 63 1HG MET 63 -2.917 -4.259 7.741 485 2HG MET 63 2HG MET 63 -4.016 -3.354 8.714 486 1HE MET 63 1HE MET 63 -6.975 -3.980 8.476 487 2HE MET 63 2HE MET 63 -5.740 -4.080 9.744 488 3HE MET 63 3HE MET 63 -6.763 -5.451 9.435 489 H LYS 64 H LYS 64 -5.710 -2.040 4.029 490 HA LYS 64 HA LYS 64 -4.730 0.641 3.735 491 1HB LYS 64 1HB LYS 64 -6.656 -0.862 1.908 492 2HB LYS 64 2HB LYS 64 -5.738 0.557 1.473 493 1HG LYS 64 1HG LYS 64 -4.585 -2.171 2.157 494 2HG LYS 64 2HG LYS 64 -4.673 -1.451 0.570 495 1HD LYS 64 1HD LYS 64 -2.511 -0.764 1.005 496 2HD LYS 64 2HD LYS 64 -3.278 0.513 1.913 497 1HE LYS 64 1HE LYS 64 -3.095 -0.883 3.998 498 2HE LYS 64 2HE LYS 64 -2.352 -2.158 3.054 499 1HZ LYS 64 1HZ LYS 64 -0.430 -1.051 2.865 500 2HZ LYS 64 2HZ LYS 64 -0.956 -0.337 4.313 501 3HZ LYS 64 3HZ LYS 64 -1.159 0.482 2.840 502 H LYS 65 H LYS 65 -7.945 -0.713 4.366 503 HA LYS 65 HA LYS 65 -9.370 1.678 3.893 504 1HB LYS 65 1HB LYS 65 -10.376 -0.606 4.107 505 2HB LYS 65 2HB LYS 65 -9.940 -0.628 5.798 506 1HG LYS 65 1HG LYS 65 -12.304 -0.072 5.560 507 2HG LYS 65 2HG LYS 65 -11.445 1.291 6.248 508 1HD LYS 65 1HD LYS 65 -11.371 2.383 3.992 509 2HD LYS 65 2HD LYS 65 -12.199 1.002 3.296 510 1HE LYS 65 1HE LYS 65 -13.323 2.823 5.470 511 2HE LYS 65 2HE LYS 65 -13.770 2.873 3.770 512 1HZ LYS 65 1HZ LYS 65 -14.356 0.434 4.086 513 2HZ LYS 65 2HZ LYS 65 -15.403 1.598 4.748 514 3HZ LYS 65 3HZ LYS 65 -14.313 0.766 5.751 515 H GLN 66 H GLN 66 -7.555 0.549 6.641 516 HA GLN 66 HA GLN 66 -8.513 2.470 8.503 517 1HB GLN 66 1HB GLN 66 -5.785 1.094 8.501 518 2HB GLN 66 2HB GLN 66 -6.711 1.614 9.891 519 1HG GLN 66 1HG GLN 66 -7.526 -0.638 7.995 520 2HG GLN 66 2HG GLN 66 -6.867 -0.853 9.586 521 1HE2 GLN 66 1HE2 GLN 66 -9.723 0.129 7.785 522 2HE2 GLN 66 2HE2 GLN 66 -10.786 0.144 9.108 523 H ILE 67 H ILE 67 -5.882 2.288 6.243 524 HA ILE 67 HA ILE 67 -4.544 4.729 6.930 525 HB ILE 67 HB ILE 67 -4.678 3.015 4.449 526 1HG1 ILE 67 1HG1 ILE 67 -2.615 3.268 6.676 527 2HG1 ILE 67 2HG1 ILE 67 -3.809 2.011 6.627 528 1HG2 ILE 67 1HG2 ILE 67 -3.876 5.221 3.785 529 2HG2 ILE 67 2HG2 ILE 67 -2.519 4.130 3.776 530 3HG2 ILE 67 3HG2 ILE 67 -2.706 5.257 5.106 531 1HD1 ILE 67 1HD1 ILE 67 -2.896 1.182 4.472 532 2HD1 ILE 67 2HD1 ILE 67 -1.688 1.135 5.740 533 3HD1 ILE 67 3HD1 ILE 67 -1.639 2.395 4.519 534 H GLU 68 H GLU 68 -7.219 3.832 5.027 535 HA GLU 68 HA GLU 68 -7.561 6.452 3.713 536 1HB GLU 68 1HB GLU 68 -9.188 3.917 3.769 537 2HB GLU 68 2HB GLU 68 -9.647 5.346 2.863 538 1HG GLU 68 1HG GLU 68 -7.598 5.221 1.543 539 2HG GLU 68 2HG GLU 68 -6.950 3.927 2.500 540 H ALA 69 H ALA 69 -8.574 4.849 6.555 541 HA ALA 69 HA ALA 69 -10.916 6.511 7.036 542 1HB ALA 69 1HB ALA 69 -10.728 4.229 7.978 543 2HB ALA 69 2HB ALA 69 -10.899 5.421 9.260 544 3HB ALA 69 3HB ALA 69 -9.323 4.726 8.913 545 H MET 70 H MET 70 -7.532 6.443 8.011 546 HA MET 70 HA MET 70 -7.727 8.580 9.870 547 1HB MET 70 1HB MET 70 -5.294 8.324 9.952 548 2HB MET 70 2HB MET 70 -6.097 6.777 10.051 549 1HG MET 70 1HG MET 70 -4.320 6.424 8.608 550 2HG MET 70 2HG MET 70 -5.724 6.529 7.605 551 1HE MET 70 1HE MET 70 -1.926 8.855 7.541 552 2HE MET 70 2HE MET 70 -2.098 7.189 6.968 553 3HE MET 70 3HE MET 70 -2.470 7.622 8.643 554 H GLY 71 H GLY 71 -7.662 8.474 6.492 555 1HA GLY 71 1HA GLY 71 -8.167 10.770 5.562 556 2HA GLY 71 2HA GLY 71 -6.710 11.307 6.357 557 H PHE 72 H PHE 72 -5.925 8.367 5.024 558 HA PHE 72 HA PHE 72 -4.848 9.716 2.573 559 1HB PHE 72 1HB PHE 72 -3.838 7.181 3.932 560 2HB PHE 72 2HB PHE 72 -3.251 7.869 2.463 561 HD1 PHE 72 HD1 PHE 72 -1.155 7.478 3.956 562 HD2 PHE 72 HD2 PHE 72 -3.945 10.631 4.626 563 HE1 PHE 72 HE1 PHE 72 0.540 8.737 5.182 564 HE2 PHE 72 HE2 PHE 72 -2.252 11.869 5.850 565 HZ PHE 72 HZ PHE 72 -0.002 10.932 6.144 566 HA PRO 73 HA PRO 73 -8.049 6.954 0.611 567 1HB PRO 73 1HB PRO 73 -7.240 8.581 -1.696 568 2HB PRO 73 2HB PRO 73 -8.842 8.187 -1.087 569 1HG PRO 73 1HG PRO 73 -7.577 10.672 -0.754 570 2HG PRO 73 2HG PRO 73 -8.940 10.101 0.190 571 1HD PRO 73 1HD PRO 73 -6.154 10.430 1.063 572 2HD PRO 73 2HD PRO 73 -7.595 10.086 2.037 573 H ALA 74 H ALA 74 -7.508 5.163 -0.374 574 HA ALA 74 HA ALA 74 -4.784 4.872 -1.580 575 1HB ALA 74 1HB ALA 74 -6.304 2.776 0.045 576 2HB ALA 74 2HB ALA 74 -4.934 3.708 0.628 577 3HB ALA 74 3HB ALA 74 -4.722 2.563 -0.683 578 H PHE 75 H PHE 75 -5.041 4.826 -3.539 579 HA PHE 75 HA PHE 75 -7.383 3.780 -4.922 580 1HB PHE 75 1HB PHE 75 -4.751 4.896 -6.028 581 2HB PHE 75 2HB PHE 75 -6.234 4.670 -6.944 582 HD1 PHE 75 HD1 PHE 75 -4.445 6.857 -4.675 583 HD2 PHE 75 HD2 PHE 75 -8.321 5.973 -6.212 584 HE1 PHE 75 HE1 PHE 75 -5.242 9.041 -3.914 585 HE2 PHE 75 HE2 PHE 75 -9.114 8.165 -5.448 586 HZ PHE 75 HZ PHE 75 -7.579 9.703 -4.297 587 H VAL 76 H VAL 76 -7.190 1.670 -4.104 588 HA VAL 76 HA VAL 76 -4.975 -0.062 -4.918 589 HB VAL 76 HB VAL 76 -7.646 -0.789 -3.630 590 1HG1 VAL 76 1HG1 VAL 76 -6.419 -2.820 -2.849 591 2HG1 VAL 76 2HG1 VAL 76 -5.012 -2.317 -3.770 592 3HG1 VAL 76 3HG1 VAL 76 -6.496 -2.752 -4.597 593 1HG2 VAL 76 1HG2 VAL 76 -6.441 0.831 -2.207 594 2HG2 VAL 76 2HG2 VAL 76 -4.988 -0.141 -2.288 595 3HG2 VAL 76 3HG2 VAL 76 -6.413 -0.757 -1.467 596 H LYS 77 H LYS 77 -5.180 -1.838 -6.276 597 HA LYS 77 HA LYS 77 -5.707 -2.910 -8.260 598 1HB LYS 77 1HB LYS 77 -7.697 -3.536 -6.865 599 2HB LYS 77 2HB LYS 77 -8.579 -2.153 -7.489 600 1HG LYS 77 1HG LYS 77 -8.288 -3.056 -9.826 601 2HG LYS 77 2HG LYS 77 -7.486 -4.461 -9.158 602 1HD LYS 77 1HD LYS 77 -10.357 -3.612 -8.569 603 2HD LYS 77 2HD LYS 77 -9.888 -4.906 -9.649 604 1HE LYS 77 1HE LYS 77 -9.396 -4.844 -6.633 605 2HE LYS 77 2HE LYS 77 -10.544 -5.856 -7.484 606 1HZ LYS 77 1HZ LYS 77 -8.706 -7.191 -7.112 607 2HZ LYS 77 2HZ LYS 77 -7.602 -5.984 -7.569 608 3HZ LYS 77 3HZ LYS 77 -8.569 -6.739 -8.743 609 H LYS 78 H LYS 78 -4.699 -1.526 -9.622 610 HA LYS 78 HA LYS 78 -5.672 0.947 -10.580 611 1HB LYS 78 1HB LYS 78 -3.800 -0.986 -12.012 612 2HB LYS 78 2HB LYS 78 -3.916 0.737 -12.302 613 1HG LYS 78 1HG LYS 78 -3.005 -0.553 -9.690 614 2HG LYS 78 2HG LYS 78 -1.953 0.165 -10.887 615 1HD LYS 78 1HD LYS 78 -3.023 2.385 -10.538 616 2HD LYS 78 2HD LYS 78 -4.097 1.691 -9.338 617 1HE LYS 78 1HE LYS 78 -1.064 1.673 -9.096 618 2HE LYS 78 2HE LYS 78 -2.129 2.827 -8.310 619 1HZ LYS 78 1HZ LYS 78 -1.354 0.432 -7.306 620 2HZ LYS 78 2HZ LYS 78 -2.924 0.112 -7.866 621 3HZ LYS 78 3HZ LYS 78 -2.662 1.363 -6.753 622 H GLN 79 H GLN 79 -7.167 1.441 -12.004 623 HA GLN 79 HA GLN 79 -8.936 -0.438 -13.177 624 1HB GLN 79 1HB GLN 79 -9.706 1.787 -12.705 625 2HB GLN 79 2HB GLN 79 -8.439 2.516 -13.665 626 1HG GLN 79 1HG GLN 79 -10.664 2.581 -14.808 627 2HG GLN 79 2HG GLN 79 -9.478 1.699 -15.746 628 1HE2 GLN 79 1HE2 GLN 79 -10.447 -0.043 -16.688 629 2HE2 GLN 79 2HE2 GLN 79 -11.594 -1.060 -15.962 630 HA PRO 80 HA PRO 80 -6.368 -1.229 -16.872 631 1HB PRO 80 1HB PRO 80 -7.649 -3.490 -17.731 632 2HB PRO 80 2HB PRO 80 -6.585 -3.500 -16.340 633 1HG PRO 80 1HG PRO 80 -9.587 -3.393 -16.359 634 2HG PRO 80 2HG PRO 80 -8.520 -4.352 -15.336 635 1HD PRO 80 1HD PRO 80 -9.682 -1.935 -14.562 636 2HD PRO 80 2HD PRO 80 -8.199 -2.590 -13.844 637 H LYS 81 H LYS 81 -8.673 -2.534 -18.754 638 HA LYS 81 HA LYS 81 -10.020 -1.752 -20.465 639 1HB LYS 81 1HB LYS 81 -11.328 -1.058 -18.345 640 2HB LYS 81 2HB LYS 81 -10.639 0.538 -18.568 641 1HG LYS 81 1HG LYS 81 -11.759 0.690 -20.820 642 2HG LYS 81 2HG LYS 81 -12.410 -0.913 -20.572 643 1HD LYS 81 1HD LYS 81 -14.161 0.615 -20.007 644 2HD LYS 81 2HD LYS 81 -13.572 -0.005 -18.482 645 1HE LYS 81 1HE LYS 81 -12.680 2.659 -19.677 646 2HE LYS 81 2HE LYS 81 -13.968 2.500 -18.497 647 1HZ LYS 81 1HZ LYS 81 -12.314 2.857 -17.073 648 2HZ LYS 81 2HZ LYS 81 -11.109 2.333 -18.145 649 3HZ LYS 81 3HZ LYS 81 -12.015 1.197 -17.264 650 H TYR 82 H TYR 82 -7.225 -0.587 -19.881 651 HA TYR 82 HA TYR 82 -7.334 1.631 -21.891 652 1HB TYR 82 1HB TYR 82 -5.423 1.441 -19.505 653 2HB TYR 82 2HB TYR 82 -5.525 2.771 -20.645 654 HD1 TYR 82 HD1 TYR 82 -8.511 3.160 -20.821 655 HD2 TYR 82 HD2 TYR 82 -6.021 2.384 -17.449 656 HE1 TYR 82 HE1 TYR 82 -10.155 4.218 -19.359 657 HE2 TYR 82 HE2 TYR 82 -7.671 3.449 -15.994 658 HH TYR 82 HH TYR 82 -10.675 3.879 -16.627 659 H LEU 83 H LEU 83 -4.913 -0.344 -20.214 660 HA LEU 83 HA LEU 83 -3.247 -0.634 -22.561 661 1HB LEU 83 1HB LEU 83 -3.280 -2.019 -19.848 662 2HB LEU 83 2HB LEU 83 -2.114 -2.437 -21.083 663 HG LEU 83 HG LEU 83 -1.293 -0.071 -21.108 664 1HD1 LEU 83 1HD1 LEU 83 -3.299 1.136 -20.286 665 2HD1 LEU 83 2HD1 LEU 83 -1.933 1.462 -19.252 666 3HD1 LEU 83 3HD1 LEU 83 -3.166 0.326 -18.730 667 1HD2 LEU 83 1HD2 LEU 83 -0.128 -0.196 -18.914 668 2HD2 LEU 83 2HD2 LEU 83 -0.173 -1.764 -19.699 669 3HD2 LEU 83 3HD2 LEU 83 -1.272 -1.415 -18.374 670 H LYS 84 H LYS 84 -5.537 -2.649 -20.872 671 HA LYS 84 HA LYS 84 -6.682 -4.586 -21.394 672 1HB LYS 84 1HB LYS 84 -6.245 -3.593 -24.262 673 2HB LYS 84 2HB LYS 84 -7.457 -4.753 -23.756 674 1HG LYS 84 1HG LYS 84 -8.488 -3.040 -22.274 675 2HG LYS 84 2HG LYS 84 -7.266 -1.879 -22.760 676 1HD LYS 84 1HD LYS 84 -8.031 -2.139 -25.153 677 2HD LYS 84 2HD LYS 84 -9.314 -3.196 -24.593 678 1HE LYS 84 1HE LYS 84 -10.195 -0.914 -24.844 679 2HE LYS 84 2HE LYS 84 -10.166 -1.322 -23.135 680 1HZ LYS 84 1HZ LYS 84 -9.285 0.886 -23.584 681 2HZ LYS 84 2HZ LYS 84 -8.064 0.212 -24.554 682 3HZ LYS 84 3HZ LYS 84 -8.112 -0.127 -22.891 Start of MODEL 15 1 1H GLY 1 1H GLY 1 0.456 -16.375 -7.983 2 2H GLY 1 2H GLY 1 -0.306 -17.665 -7.190 3 3H GLY 1 3H GLY 1 -1.151 -16.776 -8.365 4 1HA GLY 1 1HA GLY 1 -0.397 -18.945 -9.184 5 2HA GLY 1 2HA GLY 1 0.246 -17.584 -10.097 6 H SER 2 H SER 2 2.266 -16.673 -8.672 7 HA SER 2 HA SER 2 4.422 -18.431 -9.183 8 1HB SER 2 1HB SER 2 4.300 -15.942 -7.403 9 2HB SER 2 2HB SER 2 5.795 -16.695 -7.983 10 HG SER 2 HG SER 2 4.994 -16.459 -10.102 11 H MET 3 H MET 3 3.895 -17.187 -5.925 12 HA MET 3 HA MET 3 5.226 -19.324 -4.606 13 1HB MET 3 1HB MET 3 3.151 -17.378 -3.509 14 2HB MET 3 2HB MET 3 4.222 -18.359 -2.531 15 1HG MET 3 1HG MET 3 6.183 -17.266 -3.569 16 2HG MET 3 2HG MET 3 5.131 -16.297 -4.559 17 1HE MET 3 1HE MET 3 6.234 -15.677 -0.201 18 2HE MET 3 2HE MET 3 7.139 -16.572 -1.409 19 3HE MET 3 3HE MET 3 5.614 -17.220 -0.756 20 H ALA 4 H ALA 4 2.110 -19.215 -5.913 21 HA ALA 4 HA ALA 4 1.492 -21.928 -5.130 22 1HB ALA 4 1HB ALA 4 0.783 -20.742 -3.041 23 2HB ALA 4 2HB ALA 4 -0.612 -21.388 -3.889 24 3HB ALA 4 3HB ALA 4 -0.235 -19.675 -3.993 25 H GLN 5 H GLN 5 0.601 -22.714 -6.893 26 HA GLN 5 HA GLN 5 -0.282 -21.198 -9.128 27 1HB GLN 5 1HB GLN 5 0.463 -23.650 -9.083 28 2HB GLN 5 2HB GLN 5 -1.102 -24.061 -8.421 29 1HG GLN 5 1HG GLN 5 -0.644 -22.692 -11.115 30 2HG GLN 5 2HG GLN 5 -1.003 -24.396 -10.904 31 1HE2 GLN 5 1HE2 GLN 5 -2.434 -21.454 -11.590 32 2HE2 GLN 5 2HE2 GLN 5 -4.032 -21.826 -11.158 33 H ALA 6 H ALA 6 -2.011 -20.031 -9.283 34 HA ALA 6 HA ALA 6 -4.197 -19.263 -9.253 35 1HB ALA 6 1HB ALA 6 -6.036 -20.665 -8.361 36 2HB ALA 6 2HB ALA 6 -4.910 -21.803 -7.668 37 3HB ALA 6 3HB ALA 6 -5.018 -21.627 -9.411 38 H GLY 7 H GLY 7 -2.797 -20.465 -6.264 39 1HA GLY 7 1HA GLY 7 -4.407 -18.784 -4.511 40 2HA GLY 7 2HA GLY 7 -2.989 -19.728 -4.049 41 H GLU 8 H GLU 8 -3.117 -17.385 -2.939 42 HA GLU 8 HA GLU 8 -1.899 -15.484 -2.458 43 1HB GLU 8 1HB GLU 8 0.319 -15.612 -3.000 44 2HB GLU 8 2HB GLU 8 -0.086 -17.118 -3.777 45 1HG GLU 8 1HG GLU 8 -0.468 -15.649 -5.954 46 2HG GLU 8 2HG GLU 8 0.343 -14.390 -5.050 47 H VAL 9 H VAL 9 -1.563 -13.315 -3.159 48 HA VAL 9 HA VAL 9 -2.621 -12.481 -5.784 49 HB VAL 9 HB VAL 9 -4.181 -10.808 -4.625 50 1HG1 VAL 9 1HG1 VAL 9 -4.823 -13.744 -4.181 51 2HG1 VAL 9 2HG1 VAL 9 -5.080 -12.853 -5.671 52 3HG1 VAL 9 3HG1 VAL 9 -5.991 -12.439 -4.232 53 1HG2 VAL 9 1HG2 VAL 9 -4.901 -11.305 -2.298 54 2HG2 VAL 9 2HG2 VAL 9 -3.185 -10.968 -2.291 55 3HG2 VAL 9 3HG2 VAL 9 -3.759 -12.621 -2.192 56 H VAL 10 H VAL 10 -1.515 -10.825 -6.549 57 HA VAL 10 HA VAL 10 0.383 -9.394 -4.749 58 HB VAL 10 HB VAL 10 1.610 -8.850 -6.874 59 1HG1 VAL 10 1HG1 VAL 10 2.360 -11.170 -7.375 60 2HG1 VAL 10 2HG1 VAL 10 0.955 -11.812 -6.541 61 3HG1 VAL 10 3HG1 VAL 10 2.183 -10.933 -5.652 62 1HG2 VAL 10 1HG2 VAL 10 -0.273 -8.878 -8.544 63 2HG2 VAL 10 2HG2 VAL 10 -0.478 -10.596 -8.264 64 3HG2 VAL 10 3HG2 VAL 10 0.997 -9.981 -8.989 65 H LEU 11 H LEU 11 -0.972 -7.884 -3.877 66 HA LEU 11 HA LEU 11 -2.477 -6.048 -5.640 67 1HB LEU 11 1HB LEU 11 -2.303 -6.387 -2.634 68 2HB LEU 11 2HB LEU 11 -3.081 -4.992 -3.329 69 HG LEU 11 HG LEU 11 -4.704 -6.770 -2.709 70 1HD1 LEU 11 1HD1 LEU 11 -5.980 -6.767 -4.830 71 2HD1 LEU 11 2HD1 LEU 11 -4.558 -6.251 -5.713 72 3HD1 LEU 11 3HD1 LEU 11 -5.282 -5.189 -4.517 73 1HD2 LEU 11 1HD2 LEU 11 -3.301 -8.774 -3.214 74 2HD2 LEU 11 2HD2 LEU 11 -3.421 -8.422 -4.929 75 3HD2 LEU 11 3HD2 LEU 11 -4.858 -8.837 -4.020 76 H LYS 12 H LYS 12 -2.037 -4.017 -6.003 77 HA LYS 12 HA LYS 12 0.337 -2.717 -4.778 78 1HB LYS 12 1HB LYS 12 0.499 -1.567 -7.179 79 2HB LYS 12 2HB LYS 12 1.298 -3.078 -6.883 80 1HG LYS 12 1HG LYS 12 -1.526 -2.985 -8.012 81 2HG LYS 12 2HG LYS 12 -0.134 -2.805 -9.055 82 1HD LYS 12 1HD LYS 12 -0.474 -5.180 -7.170 83 2HD LYS 12 2HD LYS 12 -1.044 -5.188 -8.818 84 1HE LYS 12 1HE LYS 12 1.339 -4.795 -9.567 85 2HE LYS 12 2HE LYS 12 1.852 -4.810 -7.889 86 1HZ LYS 12 1HZ LYS 12 0.958 -7.048 -7.686 87 2HZ LYS 12 2HZ LYS 12 2.186 -6.940 -8.855 88 3HZ LYS 12 3HZ LYS 12 0.559 -7.036 -9.336 89 H MET 13 H MET 13 -0.640 -1.350 -3.535 90 HA MET 13 HA MET 13 -2.910 0.315 -4.486 91 1HB MET 13 1HB MET 13 -1.827 -0.211 -1.698 92 2HB MET 13 2HB MET 13 -3.303 0.661 -2.070 93 1HG MET 13 1HG MET 13 -4.293 -1.346 -3.059 94 2HG MET 13 2HG MET 13 -2.802 -2.225 -2.903 95 1HE MET 13 1HE MET 13 -6.138 -1.889 0.052 96 2HE MET 13 2HE MET 13 -6.143 -1.632 -1.670 97 3HE MET 13 3HE MET 13 -5.505 -0.374 -0.577 98 H LYS 14 H LYS 14 -2.760 2.523 -4.380 99 HA LYS 14 HA LYS 14 -0.034 3.652 -3.891 100 1HB LYS 14 1HB LYS 14 -0.733 3.516 -6.263 101 2HB LYS 14 2HB LYS 14 -2.073 4.559 -5.853 102 1HG LYS 14 1HG LYS 14 -0.508 6.372 -5.172 103 2HG LYS 14 2HG LYS 14 0.856 5.308 -5.424 104 1HD LYS 14 1HD LYS 14 0.698 6.756 -7.360 105 2HD LYS 14 2HD LYS 14 0.216 5.152 -7.872 106 1HE LYS 14 1HE LYS 14 -2.189 5.803 -7.632 107 2HE LYS 14 2HE LYS 14 -1.671 7.416 -7.149 108 1HZ LYS 14 1HZ LYS 14 -0.500 7.571 -9.294 109 2HZ LYS 14 2HZ LYS 14 -2.187 7.431 -9.443 110 3HZ LYS 14 3HZ LYS 14 -1.193 6.088 -9.748 111 H VAL 15 H VAL 15 -0.534 4.141 -1.728 112 HA VAL 15 HA VAL 15 -2.754 5.634 -0.852 113 HB VAL 15 HB VAL 15 -0.040 4.837 0.210 114 1HG1 VAL 15 1HG1 VAL 15 -0.245 6.167 2.260 115 2HG1 VAL 15 2HG1 VAL 15 -1.641 7.007 1.594 116 3HG1 VAL 15 3HG1 VAL 15 -0.045 7.220 0.872 117 1HG2 VAL 15 1HG2 VAL 15 -2.109 3.508 0.705 118 2HG2 VAL 15 2HG2 VAL 15 -2.786 4.919 1.517 119 3HG2 VAL 15 3HG2 VAL 15 -1.354 4.139 2.161 120 H GLU 16 H GLU 16 -2.653 7.763 0.091 121 HA GLU 16 HA GLU 16 -1.167 9.712 -1.624 122 1HB GLU 16 1HB GLU 16 -4.030 9.605 -0.733 123 2HB GLU 16 2HB GLU 16 -3.273 11.184 -0.774 124 1HG GLU 16 1HG GLU 16 -4.239 10.730 -2.966 125 2HG GLU 16 2HG GLU 16 -2.488 10.786 -3.060 126 H GLY 17 H GLY 17 -0.593 11.587 -0.795 127 1HA GLY 17 1HA GLY 17 0.528 11.398 1.846 128 2HA GLY 17 2HA GLY 17 0.752 12.736 0.734 129 H MET 18 H MET 18 -2.437 11.795 1.331 130 HA MET 18 HA MET 18 -4.244 12.586 2.518 131 1HB MET 18 1HB MET 18 -2.670 12.583 4.527 132 2HB MET 18 2HB MET 18 -2.273 14.253 4.174 133 1HG MET 18 1HG MET 18 -4.627 14.899 4.379 134 2HG MET 18 2HG MET 18 -5.061 13.261 4.760 135 1HE MET 18 1HE MET 18 -2.643 12.411 6.848 136 2HE MET 18 2HE MET 18 -4.354 11.972 6.669 137 3HE MET 18 3HE MET 18 -3.767 12.591 8.195 138 H THR 19 H THR 19 -1.932 15.219 2.489 139 HA THR 19 HA THR 19 -3.150 16.735 0.363 140 HB THR 19 HB THR 19 -4.813 17.316 2.130 141 HG1 THR 19 HG1 THR 19 -4.241 19.549 2.292 142 1HG2 THR 19 1HG2 THR 19 -2.393 18.171 3.823 143 2HG2 THR 19 2HG2 THR 19 -3.317 16.713 4.127 144 3HG2 THR 19 3HG2 THR 19 -4.082 18.283 4.288 145 H CYS 20 H CYS 20 -1.082 16.474 3.123 146 HA CYS 20 HA CYS 20 1.319 17.247 1.798 147 1HB CYS 20 1HB CYS 20 0.352 19.532 2.053 148 2HB CYS 20 2HB CYS 20 0.116 19.252 3.755 149 H HIS 21 H HIS 21 -0.453 17.033 4.799 150 HA HIS 21 HA HIS 21 1.841 16.262 6.431 151 1HB HIS 21 1HB HIS 21 -1.141 16.084 7.061 152 2HB HIS 21 2HB HIS 21 0.175 16.036 8.230 153 HD1 HIS 21 HD1 HIS 21 1.586 18.336 8.319 154 HD2 HIS 21 HD2 HIS 21 -1.979 18.618 6.352 155 HE1 HIS 21 HE1 HIS 21 1.077 20.745 8.144 156 H SER 22 H SER 22 2.434 14.236 7.048 157 HA SER 22 HA SER 22 0.745 11.932 6.286 158 1HB SER 22 1HB SER 22 2.727 10.809 5.169 159 2HB SER 22 2HB SER 22 2.195 12.263 4.312 160 HG SER 22 HG SER 22 4.228 12.124 6.291 161 H CYS 23 H CYS 23 1.419 9.934 7.102 162 HA CYS 23 HA CYS 23 3.387 9.754 9.277 163 1HB CYS 23 1HB CYS 23 1.282 10.689 10.335 164 2HB CYS 23 2HB CYS 23 0.404 9.308 9.743 165 H THR 24 H THR 24 3.081 8.689 6.702 166 HA THR 24 HA THR 24 1.978 6.032 6.771 167 HB THR 24 HB THR 24 3.027 5.796 4.529 168 HG1 THR 24 HG1 THR 24 4.965 6.787 4.963 169 1HG2 THR 24 1HG2 THR 24 2.084 7.810 3.394 170 2HG2 THR 24 2HG2 THR 24 2.063 8.688 4.908 171 3HG2 THR 24 3HG2 THR 24 0.970 7.336 4.663 172 H SER 25 H SER 25 4.772 7.125 8.191 173 HA SER 25 HA SER 25 6.630 5.026 7.586 174 1HB SER 25 1HB SER 25 7.285 7.151 8.787 175 2HB SER 25 2HB SER 25 6.352 6.625 10.198 176 HG SER 25 HG SER 25 7.630 4.763 10.277 177 H THR 26 H THR 26 4.047 5.360 9.896 178 HA THR 26 HA THR 26 4.497 2.968 11.390 179 HB THR 26 HB THR 26 2.085 3.348 12.170 180 HG1 THR 26 HG1 THR 26 1.410 4.024 10.079 181 1HG2 THR 26 1HG2 THR 26 3.620 5.994 11.828 182 2HG2 THR 26 2HG2 THR 26 3.946 4.854 13.124 183 3HG2 THR 26 3HG2 THR 26 2.387 5.655 13.031 184 H ILE 27 H ILE 27 2.707 3.677 8.479 185 HA ILE 27 HA ILE 27 1.179 1.321 8.206 186 HB ILE 27 HB ILE 27 2.438 3.099 6.067 187 1HG1 ILE 27 1HG1 ILE 27 -0.355 3.087 7.296 188 2HG1 ILE 27 2HG1 ILE 27 0.894 4.249 7.682 189 1HG2 ILE 27 1HG2 ILE 27 1.818 0.912 5.092 190 2HG2 ILE 27 2HG2 ILE 27 0.734 2.152 4.520 191 3HG2 ILE 27 3HG2 ILE 27 0.217 1.053 5.792 192 1HD1 ILE 27 1HD1 ILE 27 0.916 4.997 5.291 193 2HD1 ILE 27 2HD1 ILE 27 -0.649 5.215 6.046 194 3HD1 ILE 27 3HD1 ILE 27 -0.384 3.882 4.938 195 H GLU 28 H GLU 28 4.527 1.954 7.286 196 HA GLU 28 HA GLU 28 5.101 -0.276 5.765 197 1HB GLU 28 1HB GLU 28 6.502 1.813 6.461 198 2HB GLU 28 2HB GLU 28 6.993 0.880 7.841 199 1HG GLU 28 1HG GLU 28 7.377 0.054 4.949 200 2HG GLU 28 2HG GLU 28 8.620 0.680 6.020 201 H GLY 29 H GLY 29 5.954 -0.057 9.172 202 1HA GLY 29 1HA GLY 29 6.371 -2.891 9.494 203 2HA GLY 29 2HA GLY 29 6.339 -1.705 10.784 204 H LYS 30 H LYS 30 3.537 -0.924 9.890 205 HA LYS 30 HA LYS 30 2.133 -2.682 11.708 206 1HB LYS 30 1HB LYS 30 1.493 -0.287 11.398 207 2HB LYS 30 2HB LYS 30 1.099 -0.598 9.726 208 1HG LYS 30 1HG LYS 30 -0.956 -0.527 11.082 209 2HG LYS 30 2HG LYS 30 -0.739 -2.117 10.398 210 1HD LYS 30 1HD LYS 30 -1.454 -2.271 12.756 211 2HD LYS 30 2HD LYS 30 0.139 -2.963 12.569 212 1HE LYS 30 1HE LYS 30 -0.014 -1.510 14.594 213 2HE LYS 30 2HE LYS 30 1.160 -0.859 13.465 214 1HZ LYS 30 1HZ LYS 30 -0.461 0.753 14.447 215 2HZ LYS 30 2HZ LYS 30 -1.666 0.009 13.508 216 3HZ LYS 30 3HZ LYS 30 -0.348 0.767 12.751 217 H ILE 31 H ILE 31 2.021 -2.101 8.283 218 HA ILE 31 HA ILE 31 0.232 -4.252 7.635 219 HB ILE 31 HB ILE 31 2.147 -2.588 5.951 220 1HG1 ILE 31 1HG1 ILE 31 0.341 -1.272 7.061 221 2HG1 ILE 31 2HG1 ILE 31 0.167 -1.265 5.327 222 1HG2 ILE 31 1HG2 ILE 31 -0.067 -4.416 4.971 223 2HG2 ILE 31 2HG2 ILE 31 1.658 -4.649 4.748 224 3HG2 ILE 31 3HG2 ILE 31 0.857 -3.291 3.990 225 1HD1 ILE 31 1HD1 ILE 31 -2.016 -1.578 6.439 226 2HD1 ILE 31 2HD1 ILE 31 -1.430 -3.000 7.270 227 3HD1 ILE 31 3HD1 ILE 31 -1.624 -3.018 5.522 228 H GLY 32 H GLY 32 3.653 -3.957 8.029 229 1HA GLY 32 1HA GLY 32 4.411 -6.379 6.698 230 2HA GLY 32 2HA GLY 32 5.429 -5.423 7.764 231 H LYS 33 H LYS 33 2.934 -5.690 9.608 232 HA LYS 33 HA LYS 33 3.895 -8.044 11.036 233 1HB LYS 33 1HB LYS 33 3.557 -5.702 12.024 234 2HB LYS 33 2HB LYS 33 1.856 -6.120 12.003 235 1HG LYS 33 1HG LYS 33 2.341 -6.867 14.131 236 2HG LYS 33 2HG LYS 33 2.759 -8.329 13.278 237 1HD LYS 33 1HD LYS 33 4.707 -6.177 14.190 238 2HD LYS 33 2HD LYS 33 4.500 -7.753 14.912 239 1HE LYS 33 1HE LYS 33 6.468 -7.951 13.594 240 2HE LYS 33 2HE LYS 33 5.235 -8.736 12.629 241 1HZ LYS 33 1HZ LYS 33 5.539 -7.274 11.012 242 2HZ LYS 33 2HZ LYS 33 6.881 -6.691 11.868 243 3HZ LYS 33 3HZ LYS 33 5.369 -5.951 12.066 244 H LEU 34 H LEU 34 1.616 -7.541 8.731 245 HA LEU 34 HA LEU 34 -0.617 -8.857 9.871 246 1HB LEU 34 1HB LEU 34 0.172 -8.196 7.031 247 2HB LEU 34 2HB LEU 34 -1.386 -8.854 7.457 248 HG LEU 34 HG LEU 34 -0.247 -6.204 8.460 249 1HD1 LEU 34 1HD1 LEU 34 -0.885 -6.177 6.054 250 2HD1 LEU 34 2HD1 LEU 34 -2.000 -5.202 6.994 251 3HD1 LEU 34 3HD1 LEU 34 -2.474 -6.804 6.456 252 1HD2 LEU 34 1HD2 LEU 34 -2.530 -5.803 9.366 253 2HD2 LEU 34 2HD2 LEU 34 -1.802 -7.196 10.132 254 3HD2 LEU 34 3HD2 LEU 34 -3.013 -7.421 8.882 255 H GLN 35 H GLN 35 -1.108 -10.952 9.933 256 HA GLN 35 HA GLN 35 0.877 -12.881 9.060 257 1HB GLN 35 1HB GLN 35 -1.800 -13.241 10.460 258 2HB GLN 35 2HB GLN 35 -0.682 -14.554 10.143 259 1HG GLN 35 1HG GLN 35 -0.071 -12.090 11.809 260 2HG GLN 35 2HG GLN 35 -0.405 -13.707 12.431 261 1HE2 GLN 35 1HE2 GLN 35 1.163 -15.461 11.642 262 2HE2 GLN 35 2HE2 GLN 35 2.788 -15.020 11.431 263 H GLY 36 H GLY 36 0.334 -14.743 7.933 264 1HA GLY 36 1HA GLY 36 -0.507 -15.954 6.121 265 2HA GLY 36 2HA GLY 36 -1.980 -14.990 6.235 266 H VAL 37 H VAL 37 0.778 -13.134 6.091 267 HA VAL 37 HA VAL 37 0.297 -12.340 3.300 268 HB VAL 37 HB VAL 37 1.738 -11.000 5.675 269 1HG1 VAL 37 1HG1 VAL 37 3.035 -10.548 3.572 270 2HG1 VAL 37 2HG1 VAL 37 2.216 -9.122 4.186 271 3HG1 VAL 37 3HG1 VAL 37 1.546 -9.994 2.811 272 1HG2 VAL 37 1HG2 VAL 37 -0.618 -10.261 3.913 273 2HG2 VAL 37 2HG2 VAL 37 -0.007 -9.314 5.256 274 3HG2 VAL 37 3HG2 VAL 37 -0.727 -10.895 5.547 275 H GLN 38 H GLN 38 1.925 -12.304 1.778 276 HA GLN 38 HA GLN 38 4.131 -14.226 2.291 277 1HB GLN 38 1HB GLN 38 3.076 -13.042 -0.352 278 2HB GLN 38 2HB GLN 38 4.296 -14.285 -0.210 279 1HG GLN 38 1HG GLN 38 1.361 -14.476 0.607 280 2HG GLN 38 2HG GLN 38 2.112 -15.262 -0.768 281 1HE2 GLN 38 1HE2 GLN 38 1.873 -15.253 2.727 282 2HE2 GLN 38 2HE2 GLN 38 2.535 -16.800 2.983 283 H ARG 39 H ARG 39 4.010 -11.597 0.058 284 HA ARG 39 HA ARG 39 6.569 -10.515 1.118 285 1HB ARG 39 1HB ARG 39 6.284 -11.129 -1.375 286 2HB ARG 39 2HB ARG 39 5.167 -9.790 -1.487 287 1HG ARG 39 1HG ARG 39 7.258 -9.038 -2.335 288 2HG ARG 39 2HG ARG 39 6.948 -8.187 -0.845 289 1HD ARG 39 1HD ARG 39 8.684 -10.690 -0.946 290 2HD ARG 39 2HD ARG 39 9.360 -9.095 -1.205 291 HE ARG 39 HE ARG 39 8.435 -10.208 1.342 292 1HH1 ARG 39 1HH1 ARG 39 9.193 -7.343 -0.461 293 2HH1 ARG 39 2HH1 ARG 39 9.473 -6.392 0.957 294 1HH2 ARG 39 1HH2 ARG 39 8.789 -9.020 3.144 295 2HH2 ARG 39 2HH2 ARG 39 9.242 -7.352 3.024 296 H ILE 40 H ILE 40 6.805 -8.200 1.223 297 HA ILE 40 HA ILE 40 4.472 -6.487 1.336 298 HB ILE 40 HB ILE 40 4.263 -7.617 3.466 299 1HG1 ILE 40 1HG1 ILE 40 4.074 -4.988 3.247 300 2HG1 ILE 40 2HG1 ILE 40 3.850 -5.751 4.793 301 1HG2 ILE 40 1HG2 ILE 40 5.978 -7.620 5.240 302 2HG2 ILE 40 2HG2 ILE 40 7.143 -6.923 4.137 303 3HG2 ILE 40 3HG2 ILE 40 6.479 -8.514 3.820 304 1HD1 ILE 40 1HD1 ILE 40 5.261 -3.732 4.957 305 2HD1 ILE 40 2HD1 ILE 40 6.372 -4.333 3.750 306 3HD1 ILE 40 3HD1 ILE 40 6.269 -5.117 5.319 307 H LYS 41 H LYS 41 5.283 -4.958 0.175 308 HA LYS 41 HA LYS 41 7.869 -3.665 0.939 309 1HB LYS 41 1HB LYS 41 8.472 -3.473 -1.386 310 2HB LYS 41 2HB LYS 41 8.367 -5.135 -0.848 311 1HG LYS 41 1HG LYS 41 6.160 -5.382 -1.884 312 2HG LYS 41 2HG LYS 41 6.119 -3.679 -2.310 313 1HD LYS 41 1HD LYS 41 6.855 -4.543 -4.275 314 2HD LYS 41 2HD LYS 41 8.388 -4.215 -3.483 315 1HE LYS 41 1HE LYS 41 7.033 -6.950 -3.502 316 2HE LYS 41 2HE LYS 41 8.372 -6.496 -4.541 317 1HZ LYS 41 1HZ LYS 41 9.529 -5.920 -2.341 318 2HZ LYS 41 2HZ LYS 41 9.402 -7.548 -2.813 319 3HZ LYS 41 3HZ LYS 41 8.347 -6.919 -1.642 320 H VAL 42 H VAL 42 8.023 -1.479 0.190 321 HA VAL 42 HA VAL 42 5.485 -0.210 -0.665 322 HB VAL 42 HB VAL 42 7.169 0.642 1.731 323 1HG1 VAL 42 1HG1 VAL 42 5.468 2.400 2.064 324 2HG1 VAL 42 2HG1 VAL 42 4.635 1.922 0.592 325 3HG1 VAL 42 3HG1 VAL 42 6.248 2.622 0.522 326 1HG2 VAL 42 1HG2 VAL 42 4.304 -0.409 1.617 327 2HG2 VAL 42 2HG2 VAL 42 5.112 0.173 3.064 328 3HG2 VAL 42 3HG2 VAL 42 5.686 -1.276 2.267 329 H SER 43 H SER 43 5.677 1.699 -1.674 330 HA SER 43 HA SER 43 8.405 2.390 -2.710 331 1HB SER 43 1HB SER 43 6.897 1.600 -4.499 332 2HB SER 43 2HB SER 43 5.653 2.748 -4.009 333 HG SER 43 HG SER 43 7.024 4.424 -4.506 334 H LEU 44 H LEU 44 9.078 4.421 -2.585 335 HA LEU 44 HA LEU 44 8.312 6.169 -0.550 336 1HB LEU 44 1HB LEU 44 10.406 6.018 -2.263 337 2HB LEU 44 2HB LEU 44 9.535 7.293 -3.078 338 HG LEU 44 HG LEU 44 10.472 7.361 -0.178 339 1HD1 LEU 44 1HD1 LEU 44 11.517 8.807 -2.650 340 2HD1 LEU 44 2HD1 LEU 44 12.330 7.503 -1.799 341 3HD1 LEU 44 3HD1 LEU 44 12.101 9.054 -1.012 342 1HD2 LEU 44 1HD2 LEU 44 8.466 8.784 -0.434 343 2HD2 LEU 44 2HD2 LEU 44 9.179 9.573 -1.836 344 3HD2 LEU 44 3HD2 LEU 44 9.884 9.778 -0.242 345 H ASP 45 H ASP 45 7.211 6.021 -3.843 346 HA ASP 45 HA ASP 45 5.842 8.445 -4.166 347 1HB ASP 45 1HB ASP 45 6.196 6.893 -6.012 348 2HB ASP 45 2HB ASP 45 5.259 5.643 -5.220 349 H ASN 46 H ASN 46 4.924 8.978 -2.156 350 HA ASN 46 HA ASN 46 3.345 9.013 -0.428 351 1HB ASN 46 1HB ASN 46 1.595 8.461 -2.878 352 2HB ASN 46 2HB ASN 46 1.020 9.131 -1.353 353 1HD2 ASN 46 1HD2 ASN 46 1.298 11.353 -0.998 354 2HD2 ASN 46 2HD2 ASN 46 2.091 12.390 -2.082 355 H GLN 47 H GLN 47 4.475 6.823 0.058 356 HA GLN 47 HA GLN 47 4.423 4.609 0.681 357 1HB GLN 47 1HB GLN 47 3.189 6.037 2.366 358 2HB GLN 47 2HB GLN 47 1.699 5.570 1.598 359 1HG GLN 47 1HG GLN 47 1.849 4.083 3.481 360 2HG GLN 47 2HG GLN 47 2.396 3.082 2.157 361 1HE2 GLN 47 1HE2 GLN 47 3.324 1.990 4.261 362 2HE2 GLN 47 2HE2 GLN 47 4.908 2.437 4.675 363 H GLU 48 H GLU 48 3.929 4.649 -1.858 364 HA GLU 48 HA GLU 48 1.472 3.264 -2.622 365 1HB GLU 48 1HB GLU 48 2.526 4.651 -4.268 366 2HB GLU 48 2HB GLU 48 4.096 3.936 -4.040 367 1HG GLU 48 1HG GLU 48 3.178 1.815 -5.105 368 2HG GLU 48 2HG GLU 48 1.620 2.612 -5.274 369 H ALA 49 H ALA 49 1.386 1.644 -1.260 370 HA ALA 49 HA ALA 49 3.517 -0.277 -0.867 371 1HB ALA 49 1HB ALA 49 1.845 -1.328 0.643 372 2HB ALA 49 2HB ALA 49 0.631 -0.213 0.039 373 3HB ALA 49 3HB ALA 49 2.010 0.392 0.939 374 H THR 50 H THR 50 3.604 -2.423 -1.451 375 HA THR 50 HA THR 50 1.535 -3.474 -3.277 376 HB THR 50 HB THR 50 4.543 -3.366 -3.821 377 HG1 THR 50 HG1 THR 50 3.286 -1.500 -4.213 378 1HG2 THR 50 1HG2 THR 50 2.222 -4.495 -5.548 379 2HG2 THR 50 2HG2 THR 50 3.381 -5.529 -4.745 380 3HG2 THR 50 3HG2 THR 50 3.908 -4.464 -6.032 381 H ILE 51 H ILE 51 1.009 -4.522 -1.311 382 HA ILE 51 HA ILE 51 2.865 -6.515 -0.190 383 HB ILE 51 HB ILE 51 0.022 -5.716 0.551 384 1HG1 ILE 51 1HG1 ILE 51 1.038 -5.008 2.648 385 2HG1 ILE 51 2HG1 ILE 51 2.609 -5.543 2.098 386 1HG2 ILE 51 1HG2 ILE 51 1.816 -7.774 1.896 387 2HG2 ILE 51 2HG2 ILE 51 0.327 -8.149 1.042 388 3HG2 ILE 51 3HG2 ILE 51 0.279 -7.208 2.519 389 1HD1 ILE 51 1HD1 ILE 51 2.620 -3.805 0.367 390 2HD1 ILE 51 2HD1 ILE 51 2.340 -3.104 1.945 391 3HD1 ILE 51 3HD1 ILE 51 0.986 -3.330 0.838 392 H VAL 52 H VAL 52 2.783 -8.642 -0.546 393 HA VAL 52 HA VAL 52 0.740 -9.736 -2.384 394 HB VAL 52 HB VAL 52 3.489 -10.816 -1.626 395 1HG1 VAL 52 1HG1 VAL 52 1.890 -12.586 -2.189 396 2HG1 VAL 52 2HG1 VAL 52 3.108 -12.438 -3.442 397 3HG1 VAL 52 3HG1 VAL 52 1.493 -11.778 -3.694 398 1HG2 VAL 52 1HG2 VAL 52 3.624 -8.763 -3.029 399 2HG2 VAL 52 2HG2 VAL 52 2.512 -9.471 -4.183 400 3HG2 VAL 52 3HG2 VAL 52 4.111 -10.171 -3.964 401 H TYR 53 H TYR 53 -0.511 -11.309 -1.542 402 HA TYR 53 HA TYR 53 0.242 -12.646 0.964 403 1HB TYR 53 1HB TYR 53 -1.767 -11.869 2.205 404 2HB TYR 53 2HB TYR 53 -0.670 -10.553 1.825 405 HD1 TYR 53 HD1 TYR 53 -3.984 -11.941 1.343 406 HD2 TYR 53 HD2 TYR 53 -1.287 -8.954 -0.043 407 HE1 TYR 53 HE1 TYR 53 -5.846 -10.743 0.294 408 HE2 TYR 53 HE2 TYR 53 -3.146 -7.760 -1.083 409 HH TYR 53 HH TYR 53 -5.567 -8.571 -2.005 410 H GLN 54 H GLN 54 -1.493 -13.969 1.849 411 HA GLN 54 HA GLN 54 -2.598 -15.680 -0.282 412 1HB GLN 54 1HB GLN 54 -2.503 -16.034 2.741 413 2HB GLN 54 2HB GLN 54 -2.980 -17.267 1.589 414 1HG GLN 54 1HG GLN 54 -0.745 -17.324 0.608 415 2HG GLN 54 2HG GLN 54 -0.240 -15.919 1.535 416 1HE2 GLN 54 1HE2 GLN 54 0.296 -16.194 3.747 417 2HE2 GLN 54 2HE2 GLN 54 0.437 -17.715 4.480 418 HA PRO 55 HA PRO 55 -6.249 -13.158 0.264 419 1HB PRO 55 1HB PRO 55 -7.980 -14.569 -1.404 420 2HB PRO 55 2HB PRO 55 -6.802 -13.381 -1.948 421 1HG PRO 55 1HG PRO 55 -6.640 -16.369 -2.019 422 2HG PRO 55 2HG PRO 55 -5.975 -15.204 -3.151 423 1HD PRO 55 1HD PRO 55 -4.471 -16.535 -1.216 424 2HD PRO 55 2HD PRO 55 -4.005 -14.971 -1.915 425 H HIS 56 H HIS 56 -6.849 -16.597 0.116 426 HA HIS 56 HA HIS 56 -9.168 -16.793 1.704 427 1HB HIS 56 1HB HIS 56 -8.446 -19.221 1.933 428 2HB HIS 56 2HB HIS 56 -8.452 -18.618 0.280 429 HD1 HIS 56 HD1 HIS 56 -6.251 -18.888 -0.887 430 HD2 HIS 56 HD2 HIS 56 -5.717 -19.060 3.154 431 HE1 HIS 56 HE1 HIS 56 -3.871 -19.433 -0.526 432 H LEU 57 H LEU 57 -5.888 -16.462 2.663 433 HA LEU 57 HA LEU 57 -6.389 -17.213 5.434 434 1HB LEU 57 1HB LEU 57 -4.229 -17.335 3.694 435 2HB LEU 57 2HB LEU 57 -3.810 -15.967 4.673 436 HG LEU 57 HG LEU 57 -3.861 -17.261 6.737 437 1HD1 LEU 57 1HD1 LEU 57 -5.719 -18.911 6.171 438 2HD1 LEU 57 2HD1 LEU 57 -4.268 -19.715 6.711 439 3HD1 LEU 57 3HD1 LEU 57 -4.651 -19.663 5.001 440 1HD2 LEU 57 1HD2 LEU 57 -2.010 -18.834 6.172 441 2HD2 LEU 57 2HD2 LEU 57 -1.831 -17.326 5.286 442 3HD2 LEU 57 3HD2 LEU 57 -2.459 -18.746 4.474 443 H ILE 58 H ILE 58 -5.737 -14.377 3.570 444 HA ILE 58 HA ILE 58 -6.900 -12.671 5.600 445 HB ILE 58 HB ILE 58 -4.632 -12.877 6.480 446 1HG1 ILE 58 1HG1 ILE 58 -4.913 -10.117 5.189 447 2HG1 ILE 58 2HG1 ILE 58 -5.833 -10.623 6.594 448 1HG2 ILE 58 1HG2 ILE 58 -3.714 -11.837 3.744 449 2HG2 ILE 58 2HG2 ILE 58 -3.469 -13.467 4.346 450 3HG2 ILE 58 3HG2 ILE 58 -2.649 -12.121 5.102 451 1HD1 ILE 58 1HD1 ILE 58 -3.884 -9.297 7.236 452 2HD1 ILE 58 2HD1 ILE 58 -2.808 -10.405 6.407 453 3HD1 ILE 58 3HD1 ILE 58 -3.700 -10.940 7.829 454 H SER 59 H SER 59 -7.094 -10.494 5.003 455 HA SER 59 HA SER 59 -6.898 -9.844 2.087 456 1HB SER 59 1HB SER 59 -9.193 -9.188 3.976 457 2HB SER 59 2HB SER 59 -9.049 -8.722 2.262 458 HG SER 59 HG SER 59 -8.953 -11.391 3.228 459 H VAL 60 H VAL 60 -5.196 -8.741 2.383 460 HA VAL 60 HA VAL 60 -4.573 -6.945 4.494 461 HB VAL 60 HB VAL 60 -3.510 -7.166 1.647 462 1HG1 VAL 60 1HG1 VAL 60 -2.277 -5.675 4.022 463 2HG1 VAL 60 2HG1 VAL 60 -2.936 -4.917 2.581 464 3HG1 VAL 60 3HG1 VAL 60 -1.506 -5.911 2.463 465 1HG2 VAL 60 1HG2 VAL 60 -3.180 -9.185 3.070 466 2HG2 VAL 60 2HG2 VAL 60 -2.424 -8.199 4.309 467 3HG2 VAL 60 3HG2 VAL 60 -1.644 -8.403 2.750 468 H GLU 61 H GLU 61 -6.403 -6.609 1.625 469 HA GLU 61 HA GLU 61 -6.363 -3.822 1.229 470 1HB GLU 61 1HB GLU 61 -7.372 -5.741 -0.190 471 2HB GLU 61 2HB GLU 61 -8.773 -5.634 0.842 472 1HG GLU 61 1HG GLU 61 -7.618 -3.436 -0.923 473 2HG GLU 61 2HG GLU 61 -9.089 -4.334 -1.233 474 H GLU 62 H GLU 62 -8.153 -5.825 3.475 475 HA GLU 62 HA GLU 62 -10.003 -3.867 4.433 476 1HB GLU 62 1HB GLU 62 -10.175 -6.352 4.745 477 2HB GLU 62 2HB GLU 62 -8.784 -6.296 5.802 478 1HG GLU 62 1HG GLU 62 -10.038 -4.783 7.373 479 2HG GLU 62 2HG GLU 62 -11.441 -4.877 6.319 480 H MET 63 H MET 63 -6.823 -4.932 5.348 481 HA MET 63 HA MET 63 -6.523 -3.239 7.614 482 1HB MET 63 1HB MET 63 -4.401 -4.466 5.914 483 2HB MET 63 2HB MET 63 -4.161 -3.873 7.538 484 1HG MET 63 1HG MET 63 -5.736 -6.275 6.611 485 2HG MET 63 2HG MET 63 -4.480 -6.210 7.810 486 1HE MET 63 1HE MET 63 -5.971 -4.782 10.868 487 2HE MET 63 2HE MET 63 -6.328 -3.492 9.705 488 3HE MET 63 3HE MET 63 -4.798 -4.369 9.641 489 H LYS 64 H LYS 64 -6.051 -2.865 4.246 490 HA LYS 64 HA LYS 64 -4.487 -0.401 4.407 491 1HB LYS 64 1HB LYS 64 -5.878 -1.842 2.124 492 2HB LYS 64 2HB LYS 64 -4.902 -0.408 1.890 493 1HG LYS 64 1HG LYS 64 -3.803 -2.911 3.229 494 2HG LYS 64 2HG LYS 64 -3.711 -2.691 1.501 495 1HD LYS 64 1HD LYS 64 -2.510 -0.445 2.069 496 2HD LYS 64 2HD LYS 64 -2.466 -1.050 3.723 497 1HE LYS 64 1HE LYS 64 -1.211 -3.031 3.040 498 2HE LYS 64 2HE LYS 64 -1.257 -2.506 1.360 499 1HZ LYS 64 1HZ LYS 64 -0.092 -0.902 3.556 500 2HZ LYS 64 2HZ LYS 64 -0.007 -0.585 1.893 501 3HZ LYS 64 3HZ LYS 64 0.808 -1.926 2.543 502 H LYS 65 H LYS 65 -7.791 -1.325 4.515 503 HA LYS 65 HA LYS 65 -8.936 1.087 3.508 504 1HB LYS 65 1HB LYS 65 -10.099 -1.141 3.713 505 2HB LYS 65 2HB LYS 65 -10.044 -0.961 5.456 506 1HG LYS 65 1HG LYS 65 -11.410 1.089 5.318 507 2HG LYS 65 2HG LYS 65 -11.461 0.939 3.564 508 1HD LYS 65 1HD LYS 65 -12.606 -1.264 3.791 509 2HD LYS 65 2HD LYS 65 -12.534 -1.126 5.540 510 1HE LYS 65 1HE LYS 65 -13.926 0.942 5.432 511 2HE LYS 65 2HE LYS 65 -14.002 0.794 3.680 512 1HZ LYS 65 1HZ LYS 65 -15.098 -1.316 3.918 513 2HZ LYS 65 2HZ LYS 65 -15.951 -0.115 4.765 514 3HZ LYS 65 3HZ LYS 65 -14.984 -1.226 5.610 515 H GLN 66 H GLN 66 -7.688 -0.053 6.558 516 HA GLN 66 HA GLN 66 -8.729 1.952 8.251 517 1HB GLN 66 1HB GLN 66 -6.062 0.500 8.555 518 2HB GLN 66 2HB GLN 66 -7.104 1.081 9.837 519 1HG GLN 66 1HG GLN 66 -7.743 -1.214 7.931 520 2HG GLN 66 2HG GLN 66 -7.331 -1.360 9.610 521 1HE2 GLN 66 1HE2 GLN 66 -8.910 -0.376 11.202 522 2HE2 GLN 66 2HE2 GLN 66 -10.549 -0.287 10.770 523 H ILE 67 H ILE 67 -5.932 1.737 6.195 524 HA ILE 67 HA ILE 67 -4.537 4.064 7.084 525 HB ILE 67 HB ILE 67 -4.614 2.642 4.396 526 1HG1 ILE 67 1HG1 ILE 67 -2.666 2.428 6.724 527 2HG1 ILE 67 2HG1 ILE 67 -3.896 1.244 6.342 528 1HG2 ILE 67 1HG2 ILE 67 -2.446 3.758 3.936 529 2HG2 ILE 67 2HG2 ILE 67 -2.653 4.719 5.396 530 3HG2 ILE 67 3HG2 ILE 67 -3.781 4.867 4.050 531 1HD1 ILE 67 1HD1 ILE 67 -1.777 0.490 5.406 532 2HD1 ILE 67 2HD1 ILE 67 -1.558 2.001 4.544 533 3HD1 ILE 67 3HD1 ILE 67 -2.860 0.926 4.092 534 H GLU 68 H GLU 68 -7.104 3.444 4.852 535 HA GLU 68 HA GLU 68 -7.267 6.186 3.836 536 1HB GLU 68 1HB GLU 68 -9.049 3.764 3.561 537 2HB GLU 68 2HB GLU 68 -9.277 5.273 2.708 538 1HG GLU 68 1HG GLU 68 -7.056 4.991 1.607 539 2HG GLU 68 2HG GLU 68 -6.714 3.572 2.570 540 H ALA 69 H ALA 69 -8.492 4.425 6.453 541 HA ALA 69 HA ALA 69 -10.819 6.115 6.937 542 1HB ALA 69 1HB ALA 69 -10.981 4.840 9.051 543 2HB ALA 69 2HB ALA 69 -9.406 4.124 8.748 544 3HB ALA 69 3HB ALA 69 -10.757 3.754 7.685 545 H MET 70 H MET 70 -7.493 5.853 8.113 546 HA MET 70 HA MET 70 -7.789 7.849 10.115 547 1HB MET 70 1HB MET 70 -5.366 7.515 10.367 548 2HB MET 70 2HB MET 70 -6.215 5.991 10.296 549 1HG MET 70 1HG MET 70 -5.604 5.751 7.966 550 2HG MET 70 2HG MET 70 -4.705 7.241 8.014 551 1HE MET 70 1HE MET 70 -1.279 6.182 8.749 552 2HE MET 70 2HE MET 70 -2.371 7.545 8.862 553 3HE MET 70 3HE MET 70 -2.265 6.593 7.358 554 H GLY 71 H GLY 71 -7.505 8.011 6.760 555 1HA GLY 71 1HA GLY 71 -7.849 10.328 5.903 556 2HA GLY 71 2HA GLY 71 -6.541 10.843 6.936 557 H PHE 72 H PHE 72 -6.051 7.899 5.171 558 HA PHE 72 HA PHE 72 -4.385 9.389 3.169 559 1HB PHE 72 1HB PHE 72 -3.762 6.773 4.590 560 2HB PHE 72 2HB PHE 72 -2.889 7.384 3.218 561 HD1 PHE 72 HD1 PHE 72 -0.988 8.661 3.652 562 HD2 PHE 72 HD2 PHE 72 -4.081 8.553 6.574 563 HE1 PHE 72 HE1 PHE 72 0.375 10.009 5.139 564 HE2 PHE 72 HE2 PHE 72 -2.725 9.895 8.070 565 HZ PHE 72 HZ PHE 72 -0.488 10.643 7.385 566 HA PRO 73 HA PRO 73 -7.681 6.999 0.930 567 1HB PRO 73 1HB PRO 73 -7.082 8.873 -1.239 568 2HB PRO 73 2HB PRO 73 -8.605 8.595 -0.410 569 1HG PRO 73 1HG PRO 73 -6.848 10.827 -0.087 570 2HG PRO 73 2HG PRO 73 -8.316 10.495 0.818 571 1HD PRO 73 1HD PRO 73 -5.591 10.341 1.755 572 2HD PRO 73 2HD PRO 73 -7.067 9.992 2.676 573 H ALA 74 H ALA 74 -7.223 5.435 -0.552 574 HA ALA 74 HA ALA 74 -4.476 5.401 -1.729 575 1HB ALA 74 1HB ALA 74 -5.989 3.040 -0.526 576 2HB ALA 74 2HB ALA 74 -4.625 3.855 0.224 577 3HB ALA 74 3HB ALA 74 -4.399 2.965 -1.273 578 H PHE 75 H PHE 75 -4.448 5.247 -3.739 579 HA PHE 75 HA PHE 75 -6.879 4.739 -5.288 580 1HB PHE 75 1HB PHE 75 -4.026 5.391 -6.165 581 2HB PHE 75 2HB PHE 75 -5.415 5.368 -7.234 582 HD1 PHE 75 HD1 PHE 75 -7.056 6.706 -4.567 583 HD2 PHE 75 HD2 PHE 75 -3.778 7.733 -7.104 584 HE1 PHE 75 HE1 PHE 75 -7.420 9.065 -4.094 585 HE2 PHE 75 HE2 PHE 75 -4.155 10.098 -6.617 586 HZ PHE 75 HZ PHE 75 -5.977 10.775 -5.111 587 H VAL 76 H VAL 76 -7.202 2.655 -4.653 588 HA VAL 76 HA VAL 76 -5.346 0.484 -5.200 589 HB VAL 76 HB VAL 76 -8.335 0.398 -4.563 590 1HG1 VAL 76 1HG1 VAL 76 -6.181 -1.733 -4.209 591 2HG1 VAL 76 2HG1 VAL 76 -7.483 -1.781 -5.385 592 3HG1 VAL 76 3HG1 VAL 76 -7.847 -1.875 -3.676 593 1HG2 VAL 76 1HG2 VAL 76 -5.949 0.378 -2.678 594 2HG2 VAL 76 2HG2 VAL 76 -7.619 0.102 -2.192 595 3HG2 VAL 76 3HG2 VAL 76 -7.133 1.659 -2.821 596 H LYS 77 H LYS 77 -5.776 -1.229 -6.657 597 HA LYS 77 HA LYS 77 -6.179 -2.166 -8.737 598 1HB LYS 77 1HB LYS 77 -8.619 -1.636 -7.920 599 2HB LYS 77 2HB LYS 77 -8.574 -0.273 -9.006 600 1HG LYS 77 1HG LYS 77 -8.296 -3.197 -9.797 601 2HG LYS 77 2HG LYS 77 -9.698 -2.192 -10.045 602 1HD LYS 77 1HD LYS 77 -8.838 -1.939 -12.144 603 2HD LYS 77 2HD LYS 77 -7.888 -0.677 -11.406 604 1HE LYS 77 1HE LYS 77 -6.362 -2.092 -12.675 605 2HE LYS 77 2HE LYS 77 -6.069 -2.479 -10.990 606 1HZ LYS 77 1HZ LYS 77 -6.365 -4.376 -12.600 607 2HZ LYS 77 2HZ LYS 77 -8.023 -4.009 -12.551 608 3HZ LYS 77 3HZ LYS 77 -7.207 -4.444 -11.127 609 H LYS 78 H LYS 78 -4.476 -1.499 -9.870 610 HA LYS 78 HA LYS 78 -4.779 0.722 -11.705 611 1HB LYS 78 1HB LYS 78 -3.615 1.650 -9.651 612 2HB LYS 78 2HB LYS 78 -2.371 0.428 -9.832 613 1HG LYS 78 1HG LYS 78 -1.751 1.378 -12.052 614 2HG LYS 78 2HG LYS 78 -3.024 2.579 -11.894 615 1HD LYS 78 1HD LYS 78 -1.914 3.467 -9.831 616 2HD LYS 78 2HD LYS 78 -0.649 2.262 -9.995 617 1HE LYS 78 1HE LYS 78 0.111 4.417 -10.928 618 2HE LYS 78 2HE LYS 78 -0.036 3.238 -12.223 619 1HZ LYS 78 1HZ LYS 78 -0.998 5.464 -12.690 620 2HZ LYS 78 2HZ LYS 78 -2.183 5.148 -11.514 621 3HZ LYS 78 3HZ LYS 78 -2.076 4.169 -12.899 622 H GLN 79 H GLN 79 -3.963 0.221 -13.623 623 HA GLN 79 HA GLN 79 -3.286 -2.390 -14.376 624 1HB GLN 79 1HB GLN 79 -2.583 0.230 -15.755 625 2HB GLN 79 2HB GLN 79 -2.533 -1.335 -16.535 626 1HG GLN 79 1HG GLN 79 -5.031 -0.047 -15.338 627 2HG GLN 79 2HG GLN 79 -4.659 -0.173 -17.048 628 1HE2 GLN 79 1HE2 GLN 79 -4.428 -2.468 -17.918 629 2HE2 GLN 79 2HE2 GLN 79 -5.383 -3.683 -17.216 630 HA PRO 80 HA PRO 80 0.698 -2.078 -12.350 631 1HB PRO 80 1HB PRO 80 1.216 -4.759 -12.051 632 2HB PRO 80 2HB PRO 80 0.042 -3.870 -11.090 633 1HG PRO 80 1HG PRO 80 -0.446 -5.768 -13.334 634 2HG PRO 80 2HG PRO 80 -1.445 -5.421 -11.928 635 1HD PRO 80 1HD PRO 80 -1.821 -4.372 -14.556 636 2HD PRO 80 2HD PRO 80 -2.635 -3.835 -13.075 637 H LYS 81 H LYS 81 1.396 -1.151 -14.452 638 HA LYS 81 HA LYS 81 3.356 -2.909 -15.881 639 1HB LYS 81 1HB LYS 81 1.785 -0.487 -16.879 640 2HB LYS 81 2HB LYS 81 3.144 -1.160 -17.747 641 1HG LYS 81 1HG LYS 81 1.186 -2.069 -18.771 642 2HG LYS 81 2HG LYS 81 1.904 -3.372 -17.849 643 1HD LYS 81 1HD LYS 81 0.239 -3.096 -16.063 644 2HD LYS 81 2HD LYS 81 -0.400 -1.656 -16.839 645 1HE LYS 81 1HE LYS 81 -1.098 -3.069 -18.776 646 2HE LYS 81 2HE LYS 81 -0.401 -4.483 -17.995 647 1HZ LYS 81 1HZ LYS 81 -2.100 -3.235 -16.170 648 2HZ LYS 81 2HZ LYS 81 -2.271 -4.756 -16.905 649 3HZ LYS 81 3HZ LYS 81 -2.933 -3.376 -17.643 650 H TYR 82 H TYR 82 5.416 -2.111 -16.100 651 HA TYR 82 HA TYR 82 6.219 -0.052 -14.176 652 1HB TYR 82 1HB TYR 82 7.536 -2.164 -14.513 653 2HB TYR 82 2HB TYR 82 7.885 -1.681 -16.164 654 HD1 TYR 82 HD1 TYR 82 9.864 -0.434 -16.558 655 HD2 TYR 82 HD2 TYR 82 8.161 -0.379 -12.652 656 HE1 TYR 82 HE1 TYR 82 11.767 0.871 -15.743 657 HE2 TYR 82 HE2 TYR 82 10.067 0.926 -11.843 658 HH TYR 82 HH TYR 82 12.784 1.107 -12.965 659 H LEU 83 H LEU 83 4.965 1.586 -15.269 660 HA LEU 83 HA LEU 83 6.599 3.327 -16.890 661 1HB LEU 83 1HB LEU 83 5.540 1.614 -18.576 662 2HB LEU 83 2HB LEU 83 3.996 2.308 -18.173 663 HG LEU 83 HG LEU 83 4.816 3.267 -20.262 664 1HD1 LEU 83 1HD1 LEU 83 3.558 4.847 -18.829 665 2HD1 LEU 83 2HD1 LEU 83 4.770 5.677 -19.788 666 3HD1 LEU 83 3HD1 LEU 83 5.060 5.386 -18.088 667 1HD2 LEU 83 1HD2 LEU 83 7.290 4.156 -18.721 668 2HD2 LEU 83 2HD2 LEU 83 6.920 4.566 -20.384 669 3HD2 LEU 83 3HD2 LEU 83 7.227 2.897 -19.944 670 H LYS 84 H LYS 84 6.247 4.723 -15.221 671 HA LYS 84 HA LYS 84 3.595 5.302 -14.168 672 1HB LYS 84 1HB LYS 84 6.254 6.750 -13.782 673 2HB LYS 84 2HB LYS 84 4.773 7.082 -12.897 674 1HG LYS 84 1HG LYS 84 4.750 4.770 -12.007 675 2HG LYS 84 2HG LYS 84 6.156 4.360 -12.962 676 1HD LYS 84 1HD LYS 84 6.914 4.733 -10.709 677 2HD LYS 84 2HD LYS 84 7.486 6.073 -11.675 678 1HE LYS 84 1HE LYS 84 4.955 6.208 -9.979 679 2HE LYS 84 2HE LYS 84 6.530 6.729 -9.408 680 1HZ LYS 84 1HZ LYS 84 5.988 8.674 -10.253 681 2HZ LYS 84 2HZ LYS 84 4.704 8.041 -11.166 682 3HZ LYS 84 3HZ LYS 84 6.287 7.998 -11.781 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -1.082 -27.255 -18.819 2 2H GLY 1 2H GLY 1 -2.301 -26.282 -18.144 3 3H GLY 1 3H GLY 1 -1.453 -27.379 -17.165 4 1HA GLY 1 1HA GLY 1 0.507 -26.138 -17.236 5 2HA GLY 1 2HA GLY 1 -0.103 -25.161 -18.576 6 H SER 2 H SER 2 -2.570 -24.509 -17.818 7 HA SER 2 HA SER 2 -2.153 -22.460 -15.797 8 1HB SER 2 1HB SER 2 -4.694 -23.306 -17.305 9 2HB SER 2 2HB SER 2 -4.504 -21.808 -16.379 10 HG SER 2 HG SER 2 -2.911 -22.669 -18.554 11 H MET 3 H MET 3 -1.678 -23.639 -13.975 12 HA MET 3 HA MET 3 -3.984 -24.959 -12.602 13 1HB MET 3 1HB MET 3 -2.181 -26.578 -13.341 14 2HB MET 3 2HB MET 3 -1.028 -25.693 -12.363 15 1HG MET 3 1HG MET 3 -1.798 -27.621 -11.133 16 2HG MET 3 2HG MET 3 -2.370 -26.189 -10.337 17 1HE MET 3 1HE MET 3 -4.396 -25.903 -9.434 18 2HE MET 3 2HE MET 3 -5.902 -26.701 -9.796 19 3HE MET 3 3HE MET 3 -5.326 -25.426 -10.870 20 H ALA 4 H ALA 4 -0.985 -23.166 -12.336 21 HA ALA 4 HA ALA 4 -1.393 -22.420 -9.535 22 1HB ALA 4 1HB ALA 4 0.694 -21.095 -9.890 23 2HB ALA 4 2HB ALA 4 0.606 -21.436 -11.613 24 3HB ALA 4 3HB ALA 4 0.878 -22.743 -10.470 25 H GLN 5 H GLN 5 -3.309 -21.651 -11.739 26 HA GLN 5 HA GLN 5 -3.347 -18.923 -12.332 27 1HB GLN 5 1HB GLN 5 -5.678 -20.789 -11.743 28 2HB GLN 5 2HB GLN 5 -5.837 -19.243 -12.545 29 1HG GLN 5 1HG GLN 5 -4.324 -20.040 -14.371 30 2HG GLN 5 2HG GLN 5 -4.206 -21.605 -13.573 31 1HE2 GLN 5 1HE2 GLN 5 -6.668 -19.320 -14.860 32 2HE2 GLN 5 2HE2 GLN 5 -7.757 -20.530 -15.344 33 H ALA 6 H ALA 6 -4.801 -20.553 -9.566 34 HA ALA 6 HA ALA 6 -5.521 -18.016 -8.260 35 1HB ALA 6 1HB ALA 6 -6.532 -19.523 -6.550 36 2HB ALA 6 2HB ALA 6 -5.812 -20.910 -7.354 37 3HB ALA 6 3HB ALA 6 -7.046 -19.965 -8.170 38 H GLY 7 H GLY 7 -2.738 -18.419 -8.700 39 1HA GLY 7 1HA GLY 7 -1.419 -19.239 -6.235 40 2HA GLY 7 2HA GLY 7 -0.660 -18.465 -7.622 41 H GLU 8 H GLU 8 -2.648 -17.903 -4.837 42 HA GLU 8 HA GLU 8 -3.156 -16.081 -3.492 43 1HB GLU 8 1HB GLU 8 -1.268 -15.179 -2.434 44 2HB GLU 8 2HB GLU 8 -0.824 -16.793 -2.896 45 1HG GLU 8 1HG GLU 8 0.524 -15.946 -4.765 46 2HG GLU 8 2HG GLU 8 0.029 -14.292 -4.417 47 H VAL 9 H VAL 9 -2.786 -13.711 -3.063 48 HA VAL 9 HA VAL 9 -3.486 -12.249 -5.560 49 HB VAL 9 HB VAL 9 -4.350 -10.480 -3.916 50 1HG1 VAL 9 1HG1 VAL 9 -5.833 -12.145 -5.009 51 2HG1 VAL 9 2HG1 VAL 9 -6.375 -11.819 -3.373 52 3HG1 VAL 9 3HG1 VAL 9 -5.502 -13.301 -3.728 53 1HG2 VAL 9 1HG2 VAL 9 -2.995 -11.239 -1.909 54 2HG2 VAL 9 2HG2 VAL 9 -3.932 -12.725 -1.880 55 3HG2 VAL 9 3HG2 VAL 9 -4.718 -11.199 -1.580 56 H VAL 10 H VAL 10 -2.611 -10.395 -6.182 57 HA VAL 10 HA VAL 10 -0.158 -9.371 -4.830 58 HB VAL 10 HB VAL 10 0.907 -9.151 -7.123 59 1HG1 VAL 10 1HG1 VAL 10 1.349 -11.553 -7.539 60 2HG1 VAL 10 2HG1 VAL 10 -0.006 -11.995 -6.515 61 3HG1 VAL 10 3HG1 VAL 10 1.396 -11.193 -5.830 62 1HG2 VAL 10 1HG2 VAL 10 -1.523 -10.700 -8.126 63 2HG2 VAL 10 2HG2 VAL 10 -0.090 -10.318 -9.069 64 3HG2 VAL 10 3HG2 VAL 10 -1.138 -9.036 -8.526 65 H LEU 11 H LEU 11 -2.338 -8.260 -4.240 66 HA LEU 11 HA LEU 11 -3.499 -6.306 -5.952 67 1HB LEU 11 1HB LEU 11 -3.200 -6.092 -2.932 68 2HB LEU 11 2HB LEU 11 -4.394 -5.277 -3.919 69 HG LEU 11 HG LEU 11 -4.211 -8.286 -3.436 70 1HD1 LEU 11 1HD1 LEU 11 -6.379 -7.918 -2.271 71 2HD1 LEU 11 2HD1 LEU 11 -6.260 -6.198 -2.601 72 3HD1 LEU 11 3HD1 LEU 11 -5.096 -6.965 -1.539 73 1HD2 LEU 11 1HD2 LEU 11 -6.326 -8.442 -4.730 74 2HD2 LEU 11 2HD2 LEU 11 -5.044 -7.814 -5.744 75 3HD2 LEU 11 3HD2 LEU 11 -6.255 -6.725 -5.082 76 H LYS 12 H LYS 12 -3.197 -4.191 -6.248 77 HA LYS 12 HA LYS 12 -0.633 -2.936 -5.334 78 1HB LYS 12 1HB LYS 12 -0.763 -3.621 -7.826 79 2HB LYS 12 2HB LYS 12 -2.100 -2.522 -8.010 80 1HG LYS 12 1HG LYS 12 0.762 -1.770 -7.230 81 2HG LYS 12 2HG LYS 12 0.051 -1.534 -8.802 82 1HD LYS 12 1HD LYS 12 -0.776 -0.069 -6.250 83 2HD LYS 12 2HD LYS 12 0.118 0.579 -7.589 84 1HE LYS 12 1HE LYS 12 -1.739 0.394 -9.109 85 2HE LYS 12 2HE LYS 12 -2.710 -0.490 -7.946 86 1HZ LYS 12 1HZ LYS 12 -1.929 2.336 -7.927 87 2HZ LYS 12 2HZ LYS 12 -2.356 1.555 -6.479 88 3HZ LYS 12 3HZ LYS 12 -3.469 1.642 -7.757 89 H MET 13 H MET 13 -1.001 -1.323 -4.078 90 HA MET 13 HA MET 13 -3.523 0.257 -4.355 91 1HB MET 13 1HB MET 13 -2.054 -0.368 -1.791 92 2HB MET 13 2HB MET 13 -3.595 0.449 -1.931 93 1HG MET 13 1HG MET 13 -4.097 -1.806 -1.257 94 2HG MET 13 2HG MET 13 -4.583 -1.617 -2.911 95 1HE MET 13 1HE MET 13 -2.843 -3.588 -0.350 96 2HE MET 13 2HE MET 13 -1.292 -2.907 -0.902 97 3HE MET 13 3HE MET 13 -1.682 -4.599 -1.180 98 H LYS 14 H LYS 14 -3.200 2.317 -4.519 99 HA LYS 14 HA LYS 14 -0.463 3.434 -4.022 100 1HB LYS 14 1HB LYS 14 -1.079 3.208 -6.379 101 2HB LYS 14 2HB LYS 14 -2.431 4.268 -6.079 102 1HG LYS 14 1HG LYS 14 -0.856 6.086 -5.352 103 2HG LYS 14 2HG LYS 14 0.495 5.019 -5.686 104 1HD LYS 14 1HD LYS 14 -0.243 4.894 -8.092 105 2HD LYS 14 2HD LYS 14 -1.542 6.011 -7.724 106 1HE LYS 14 1HE LYS 14 0.107 7.731 -7.026 107 2HE LYS 14 2HE LYS 14 1.423 6.615 -7.371 108 1HZ LYS 14 1HZ LYS 14 -0.559 7.597 -9.339 109 2HZ LYS 14 2HZ LYS 14 0.736 6.547 -9.665 110 3HZ LYS 14 3HZ LYS 14 1.041 8.147 -9.182 111 H VAL 15 H VAL 15 -0.908 4.062 -1.968 112 HA VAL 15 HA VAL 15 -3.112 5.585 -1.142 113 HB VAL 15 HB VAL 15 -0.422 4.760 -0.069 114 1HG1 VAL 15 1HG1 VAL 15 -1.906 7.033 1.280 115 2HG1 VAL 15 2HG1 VAL 15 -0.311 7.150 0.542 116 3HG1 VAL 15 3HG1 VAL 15 -0.550 6.142 1.957 117 1HG2 VAL 15 1HG2 VAL 15 -2.524 3.528 0.446 118 2HG2 VAL 15 2HG2 VAL 15 -3.170 4.982 1.209 119 3HG2 VAL 15 3HG2 VAL 15 -1.791 4.171 1.905 120 H GLU 16 H GLU 16 -3.041 7.673 -0.179 121 HA GLU 16 HA GLU 16 -2.035 9.732 -2.049 122 1HB GLU 16 1HB GLU 16 -4.422 9.864 -1.298 123 2HB GLU 16 2HB GLU 16 -3.908 9.839 0.379 124 1HG GLU 16 1HG GLU 16 -2.537 11.989 -0.216 125 2HG GLU 16 2HG GLU 16 -3.478 12.021 -1.693 126 H GLY 17 H GLY 17 0.051 10.301 -1.542 127 1HA GLY 17 1HA GLY 17 1.400 9.761 0.864 128 2HA GLY 17 2HA GLY 17 1.919 10.973 -0.294 129 H MET 18 H MET 18 -0.796 12.239 0.152 130 HA MET 18 HA MET 18 -1.748 13.972 1.311 131 1HB MET 18 1HB MET 18 -1.994 12.221 3.029 132 2HB MET 18 2HB MET 18 -0.436 12.621 3.704 133 1HG MET 18 1HG MET 18 -1.257 14.941 4.147 134 2HG MET 18 2HG MET 18 -2.806 14.513 3.478 135 1HE MET 18 1HE MET 18 -4.386 12.211 6.034 136 2HE MET 18 2HE MET 18 -3.660 11.933 4.468 137 3HE MET 18 3HE MET 18 -4.713 13.342 4.727 138 H THR 19 H THR 19 -0.982 15.827 0.782 139 HA THR 19 HA THR 19 1.746 16.731 1.337 140 HB THR 19 HB THR 19 0.715 17.175 -0.877 141 HG1 THR 19 HG1 THR 19 2.047 18.767 0.418 142 1HG2 THR 19 1HG2 THR 19 -1.189 18.751 -1.092 143 2HG2 THR 19 2HG2 THR 19 -1.299 18.937 0.648 144 3HG2 THR 19 3HG2 THR 19 -1.709 17.405 -0.098 145 H CYS 20 H CYS 20 0.569 16.323 3.726 146 HA CYS 20 HA CYS 20 0.588 18.979 4.921 147 1HB CYS 20 1HB CYS 20 -1.690 17.008 5.365 148 2HB CYS 20 2HB CYS 20 -1.492 18.510 6.223 149 H HIS 21 H HIS 21 0.285 15.541 5.303 150 HA HIS 21 HA HIS 21 2.466 15.328 7.187 151 1HB HIS 21 1HB HIS 21 0.735 16.061 8.816 152 2HB HIS 21 2HB HIS 21 -0.393 14.859 8.201 153 HD1 HIS 21 HD1 HIS 21 2.960 14.923 9.910 154 HD2 HIS 21 HD2 HIS 21 -0.205 12.392 9.421 155 HE1 HIS 21 HE1 HIS 21 3.411 12.962 11.339 156 H SER 22 H SER 22 2.944 13.102 7.645 157 HA SER 22 HA SER 22 1.485 11.108 5.965 158 1HB SER 22 1HB SER 22 4.514 11.429 6.065 159 2HB SER 22 2HB SER 22 3.613 10.183 5.176 160 HG SER 22 HG SER 22 2.413 12.101 4.304 161 H CYS 23 H CYS 23 0.554 10.164 7.682 162 HA CYS 23 HA CYS 23 2.092 9.320 10.038 163 1HB CYS 23 1HB CYS 23 -0.264 10.109 10.183 164 2HB CYS 23 2HB CYS 23 -0.771 8.775 9.189 165 H THR 24 H THR 24 2.661 8.314 7.280 166 HA THR 24 HA THR 24 1.882 5.584 7.060 167 HB THR 24 HB THR 24 3.726 5.475 5.327 168 HG1 THR 24 HG1 THR 24 4.251 8.001 6.526 169 1HG2 THR 24 1HG2 THR 24 1.580 6.769 4.655 170 2HG2 THR 24 2HG2 THR 24 3.017 7.399 3.879 171 3HG2 THR 24 3HG2 THR 24 2.328 8.236 5.256 172 H SER 25 H SER 25 4.010 7.020 9.195 173 HA SER 25 HA SER 25 6.078 5.086 9.462 174 1HB SER 25 1HB SER 25 6.109 7.322 10.631 175 2HB SER 25 2HB SER 25 4.783 6.781 11.674 176 HG SER 25 HG SER 25 6.081 5.093 12.378 177 H THR 26 H THR 26 2.804 5.252 10.641 178 HA THR 26 HA THR 26 2.939 2.923 12.336 179 HB THR 26 HB THR 26 0.408 3.205 12.450 180 HG1 THR 26 HG1 THR 26 0.173 3.756 10.269 181 1HG2 THR 26 1HG2 THR 26 1.855 4.861 13.781 182 2HG2 THR 26 2HG2 THR 26 0.332 5.553 13.247 183 3HG2 THR 26 3HG2 THR 26 1.818 5.938 12.394 184 H ILE 27 H ILE 27 1.964 3.632 9.047 185 HA ILE 27 HA ILE 27 0.775 1.135 8.370 186 HB ILE 27 HB ILE 27 2.259 3.128 6.579 187 1HG1 ILE 27 1HG1 ILE 27 -0.709 2.870 7.266 188 2HG1 ILE 27 2HG1 ILE 27 0.345 4.118 7.892 189 1HG2 ILE 27 1HG2 ILE 27 1.967 0.928 5.468 190 2HG2 ILE 27 2HG2 ILE 27 0.912 2.114 4.744 191 3HG2 ILE 27 3HG2 ILE 27 0.257 0.944 5.870 192 1HD1 ILE 27 1HD1 ILE 27 0.731 4.944 5.545 193 2HD1 ILE 27 2HD1 ILE 27 -0.952 5.007 6.022 194 3HD1 ILE 27 3HD1 ILE 27 -0.386 3.744 4.951 195 H GLU 28 H GLU 28 4.089 2.184 8.579 196 HA GLU 28 HA GLU 28 5.432 0.265 7.099 197 1HB GLU 28 1HB GLU 28 6.306 2.362 8.277 198 2HB GLU 28 2HB GLU 28 6.326 1.445 9.760 199 1HG GLU 28 1HG GLU 28 7.815 -0.229 8.724 200 2HG GLU 28 2HG GLU 28 7.830 0.735 7.246 201 H GLY 29 H GLY 29 5.108 0.243 10.584 202 1HA GLY 29 1HA GLY 29 5.712 -2.582 10.872 203 2HA GLY 29 2HA GLY 29 5.214 -1.497 12.157 204 H LYS 30 H LYS 30 2.816 -1.001 10.110 205 HA LYS 30 HA LYS 30 1.037 -2.864 11.479 206 1HB LYS 30 1HB LYS 30 0.248 -0.579 11.089 207 2HB LYS 30 2HB LYS 30 0.623 -0.692 9.388 208 1HG LYS 30 1HG LYS 30 -1.702 -0.883 9.405 209 2HG LYS 30 2HG LYS 30 -1.212 -2.547 9.277 210 1HD LYS 30 1HD LYS 30 -2.042 -1.172 11.864 211 2HD LYS 30 2HD LYS 30 -3.085 -2.180 10.889 212 1HE LYS 30 1HE LYS 30 -1.419 -4.095 11.272 213 2HE LYS 30 2HE LYS 30 -0.645 -3.049 12.462 214 1HZ LYS 30 1HZ LYS 30 -2.072 -3.972 13.835 215 2HZ LYS 30 2HZ LYS 30 -3.161 -4.420 12.612 216 3HZ LYS 30 3HZ LYS 30 -3.163 -2.830 13.211 217 H ILE 31 H ILE 31 1.781 -2.123 8.149 218 HA ILE 31 HA ILE 31 0.509 -4.427 7.032 219 HB ILE 31 HB ILE 31 2.593 -2.566 5.828 220 1HG1 ILE 31 1HG1 ILE 31 0.684 -1.238 6.584 221 2HG1 ILE 31 2HG1 ILE 31 0.616 -1.359 4.844 222 1HG2 ILE 31 1HG2 ILE 31 1.638 -3.238 3.651 223 2HG2 ILE 31 2HG2 ILE 31 0.579 -4.389 4.450 224 3HG2 ILE 31 3HG2 ILE 31 2.315 -4.620 4.483 225 1HD1 ILE 31 1HD1 ILE 31 -1.618 -1.660 5.823 226 2HD1 ILE 31 2HD1 ILE 31 -1.051 -2.982 6.817 227 3HD1 ILE 31 3HD1 ILE 31 -1.126 -3.167 5.075 228 H GLY 32 H GLY 32 3.750 -3.815 8.145 229 1HA GLY 32 1HA GLY 32 4.966 -6.091 6.897 230 2HA GLY 32 2HA GLY 32 5.682 -5.098 8.152 231 H LYS 33 H LYS 33 3.088 -5.615 9.658 232 HA LYS 33 HA LYS 33 4.011 -7.968 11.091 233 1HB LYS 33 1HB LYS 33 3.661 -5.983 12.339 234 2HB LYS 33 2HB LYS 33 2.062 -5.784 11.670 235 1HG LYS 33 1HG LYS 33 2.653 -8.278 13.276 236 2HG LYS 33 2HG LYS 33 2.492 -6.774 14.147 237 1HD LYS 33 1HD LYS 33 0.339 -7.759 12.215 238 2HD LYS 33 2HD LYS 33 0.346 -8.141 13.922 239 1HE LYS 33 1HE LYS 33 0.279 -5.695 14.438 240 2HE LYS 33 2HE LYS 33 0.282 -5.330 12.718 241 1HZ LYS 33 1HZ LYS 33 -1.914 -5.588 14.134 242 2HZ LYS 33 2HZ LYS 33 -1.739 -7.200 13.629 243 3HZ LYS 33 3HZ LYS 33 -1.835 -5.954 12.478 244 H LEU 34 H LEU 34 1.813 -7.422 8.660 245 HA LEU 34 HA LEU 34 -0.371 -8.987 9.458 246 1HB LEU 34 1HB LEU 34 0.688 -8.339 6.700 247 2HB LEU 34 2HB LEU 34 -0.918 -8.946 7.037 248 HG LEU 34 HG LEU 34 0.246 -6.298 7.981 249 1HD1 LEU 34 1HD1 LEU 34 -0.371 -6.349 5.577 250 2HD1 LEU 34 2HD1 LEU 34 -1.476 -5.316 6.464 251 3HD1 LEU 34 3HD1 LEU 34 -1.976 -6.930 5.995 252 1HD2 LEU 34 1HD2 LEU 34 -1.327 -7.165 9.700 253 2HD2 LEU 34 2HD2 LEU 34 -2.552 -7.406 8.463 254 3HD2 LEU 34 3HD2 LEU 34 -2.008 -5.786 8.873 255 H GLN 35 H GLN 35 -0.521 -11.052 9.767 256 HA GLN 35 HA GLN 35 1.553 -12.910 9.021 257 1HB GLN 35 1HB GLN 35 -1.219 -13.371 10.203 258 2HB GLN 35 2HB GLN 35 0.026 -14.603 10.082 259 1HG GLN 35 1HG GLN 35 1.529 -13.241 11.531 260 2HG GLN 35 2HG GLN 35 0.293 -11.992 11.649 261 1HE2 GLN 35 1HE2 GLN 35 -1.659 -12.487 12.877 262 2HE2 GLN 35 2HE2 GLN 35 -1.701 -13.788 13.967 263 H GLY 36 H GLY 36 1.376 -14.627 7.549 264 1HA GLY 36 1HA GLY 36 0.556 -15.841 5.725 265 2HA GLY 36 2HA GLY 36 -0.954 -14.957 5.868 266 H VAL 37 H VAL 37 1.794 -12.980 5.782 267 HA VAL 37 HA VAL 37 1.260 -12.221 2.990 268 HB VAL 37 HB VAL 37 2.351 -10.669 5.408 269 1HG1 VAL 37 1HG1 VAL 37 3.694 -10.061 3.377 270 2HG1 VAL 37 2HG1 VAL 37 2.620 -8.765 3.875 271 3HG1 VAL 37 3HG1 VAL 37 2.194 -9.788 2.502 272 1HG2 VAL 37 1HG2 VAL 37 0.377 -9.321 4.856 273 2HG2 VAL 37 2HG2 VAL 37 -0.077 -11.009 5.106 274 3HG2 VAL 37 3HG2 VAL 37 0.036 -10.354 3.482 275 H GLN 38 H GLN 38 2.646 -12.521 1.496 276 HA GLN 38 HA GLN 38 5.248 -13.717 2.125 277 1HB GLN 38 1HB GLN 38 3.942 -13.166 -0.616 278 2HB GLN 38 2HB GLN 38 5.362 -14.154 -0.355 279 1HG GLN 38 1HG GLN 38 2.565 -14.709 0.682 280 2HG GLN 38 2HG GLN 38 3.324 -15.527 -0.675 281 1HE2 GLN 38 1HE2 GLN 38 5.876 -15.187 1.348 282 2HE2 GLN 38 2HE2 GLN 38 5.690 -16.571 2.302 283 H ARG 39 H ARG 39 4.436 -11.459 -0.378 284 HA ARG 39 HA ARG 39 6.970 -9.975 0.186 285 1HB ARG 39 1HB ARG 39 6.310 -10.805 -2.214 286 2HB ARG 39 2HB ARG 39 5.145 -9.501 -2.180 287 1HG ARG 39 1HG ARG 39 7.037 -8.748 -3.405 288 2HG ARG 39 2HG ARG 39 6.864 -7.799 -1.954 289 1HD ARG 39 1HD ARG 39 8.746 -10.191 -2.061 290 2HD ARG 39 2HD ARG 39 9.267 -8.609 -2.611 291 HE ARG 39 HE ARG 39 8.863 -9.436 0.154 292 1HH1 ARG 39 1HH1 ARG 39 8.925 -6.758 -2.055 293 2HH1 ARG 39 2HH1 ARG 39 9.300 -5.606 -0.821 294 1HH2 ARG 39 1HH2 ARG 39 9.341 -7.990 1.726 295 2HH2 ARG 39 2HH2 ARG 39 9.538 -6.311 1.349 296 H ILE 40 H ILE 40 6.963 -7.695 0.070 297 HA ILE 40 HA ILE 40 4.541 -6.173 0.445 298 HB ILE 40 HB ILE 40 4.787 -7.060 2.681 299 1HG1 ILE 40 1HG1 ILE 40 5.918 -4.219 2.616 300 2HG1 ILE 40 2HG1 ILE 40 4.228 -4.614 2.495 301 1HG2 ILE 40 1HG2 ILE 40 7.712 -6.192 2.726 302 2HG2 ILE 40 2HG2 ILE 40 7.115 -7.838 2.616 303 3HG2 ILE 40 3HG2 ILE 40 6.836 -6.900 4.061 304 1HD1 ILE 40 1HD1 ILE 40 4.765 -3.913 4.783 305 2HD1 ILE 40 2HD1 ILE 40 5.998 -5.149 4.918 306 3HD1 ILE 40 3HD1 ILE 40 4.306 -5.608 4.784 307 H LYS 41 H LYS 41 5.234 -5.015 -1.276 308 HA LYS 41 HA LYS 41 7.863 -3.594 -1.101 309 1HB LYS 41 1HB LYS 41 7.551 -3.321 -3.575 310 2HB LYS 41 2HB LYS 41 7.974 -4.902 -2.959 311 1HG LYS 41 1HG LYS 41 5.598 -5.601 -3.077 312 2HG LYS 41 2HG LYS 41 5.166 -4.028 -3.723 313 1HD LYS 41 1HD LYS 41 7.265 -5.814 -4.931 314 2HD LYS 41 2HD LYS 41 5.569 -5.930 -5.378 315 1HE LYS 41 1HE LYS 41 5.641 -3.510 -6.106 316 2HE LYS 41 2HE LYS 41 7.353 -3.455 -5.702 317 1HZ LYS 41 1HZ LYS 41 6.089 -5.199 -7.728 318 2HZ LYS 41 2HZ LYS 41 7.732 -5.233 -7.297 319 3HZ LYS 41 3HZ LYS 41 7.073 -3.845 -8.020 320 H VAL 42 H VAL 42 6.860 -2.095 0.298 321 HA VAL 42 HA VAL 42 4.747 -0.343 -0.718 322 HB VAL 42 HB VAL 42 6.416 -0.248 1.843 323 1HG1 VAL 42 1HG1 VAL 42 5.523 2.000 1.273 324 2HG1 VAL 42 2HG1 VAL 42 4.668 1.348 2.655 325 3HG1 VAL 42 3HG1 VAL 42 3.922 1.320 1.061 326 1HG2 VAL 42 1HG2 VAL 42 3.554 -1.190 1.353 327 2HG2 VAL 42 2HG2 VAL 42 4.349 -1.130 2.917 328 3HG2 VAL 42 3HG2 VAL 42 4.922 -2.238 1.684 329 H SER 43 H SER 43 4.987 1.525 -1.627 330 HA SER 43 HA SER 43 7.673 2.408 -2.454 331 1HB SER 43 1HB SER 43 5.697 2.501 -4.025 332 2HB SER 43 2HB SER 43 4.995 3.761 -2.994 333 HG SER 43 HG SER 43 6.660 5.082 -3.427 334 H LEU 44 H LEU 44 8.264 4.732 -2.316 335 HA LEU 44 HA LEU 44 7.822 5.779 0.411 336 1HB LEU 44 1HB LEU 44 10.123 5.262 -0.109 337 2HB LEU 44 2HB LEU 44 10.012 6.030 -1.677 338 HG LEU 44 HG LEU 44 9.712 8.204 -0.613 339 1HD1 LEU 44 1HD1 LEU 44 10.161 8.459 1.859 340 2HD1 LEU 44 2HD1 LEU 44 10.246 6.713 2.014 341 3HD1 LEU 44 3HD1 LEU 44 8.730 7.488 1.587 342 1HD2 LEU 44 1HD2 LEU 44 12.067 8.442 0.225 343 2HD2 LEU 44 2HD2 LEU 44 11.981 7.479 -1.239 344 3HD2 LEU 44 3HD2 LEU 44 12.194 6.693 0.317 345 H ASP 45 H ASP 45 7.435 6.438 -2.953 346 HA ASP 45 HA ASP 45 7.141 9.220 -3.062 347 1HB ASP 45 1HB ASP 45 5.599 7.092 -4.615 348 2HB ASP 45 2HB ASP 45 5.730 8.779 -5.084 349 H ASN 46 H ASN 46 4.359 7.025 -3.000 350 HA ASN 46 HA ASN 46 2.946 8.795 -1.070 351 1HB ASN 46 1HB ASN 46 1.805 7.904 -3.779 352 2HB ASN 46 2HB ASN 46 0.917 8.782 -2.539 353 1HD2 ASN 46 1HD2 ASN 46 3.573 9.080 -4.870 354 2HD2 ASN 46 2HD2 ASN 46 3.608 10.777 -4.860 355 H GLN 47 H GLN 47 4.110 6.641 -0.370 356 HA GLN 47 HA GLN 47 4.047 4.447 0.336 357 1HB GLN 47 1HB GLN 47 2.807 6.179 1.860 358 2HB GLN 47 2HB GLN 47 1.352 5.418 1.298 359 1HG GLN 47 1HG GLN 47 3.588 3.822 2.633 360 2HG GLN 47 2HG GLN 47 2.363 4.628 3.587 361 1HE2 GLN 47 1HE2 GLN 47 0.014 4.113 2.333 362 2HE2 GLN 47 2HE2 GLN 47 -0.262 2.441 2.217 363 H GLU 48 H GLU 48 3.489 4.333 -2.185 364 HA GLU 48 HA GLU 48 0.987 2.976 -2.793 365 1HB GLU 48 1HB GLU 48 2.260 4.196 -4.585 366 2HB GLU 48 2HB GLU 48 3.597 3.082 -4.413 367 1HG GLU 48 1HG GLU 48 2.150 1.181 -5.121 368 2HG GLU 48 2HG GLU 48 0.784 2.266 -5.273 369 H ALA 49 H ALA 49 0.806 1.416 -1.385 370 HA ALA 49 HA ALA 49 2.861 -0.604 -0.977 371 1HB ALA 49 1HB ALA 49 1.183 -1.513 0.639 372 2HB ALA 49 2HB ALA 49 0.025 -0.334 0.042 373 3HB ALA 49 3HB ALA 49 1.483 0.196 0.863 374 H THR 50 H THR 50 3.061 -2.439 -2.074 375 HA THR 50 HA THR 50 0.695 -3.582 -3.506 376 HB THR 50 HB THR 50 3.539 -3.190 -4.609 377 HG1 THR 50 HG1 THR 50 2.146 -1.388 -4.489 378 1HG2 THR 50 1HG2 THR 50 2.302 -5.310 -5.538 379 2HG2 THR 50 2HG2 THR 50 2.571 -4.075 -6.750 380 3HG2 THR 50 3HG2 THR 50 0.992 -4.250 -6.013 381 H ILE 51 H ILE 51 0.810 -4.588 -1.383 382 HA ILE 51 HA ILE 51 2.845 -6.533 -0.737 383 HB ILE 51 HB ILE 51 0.060 -5.972 0.339 384 1HG1 ILE 51 1HG1 ILE 51 1.195 -5.188 2.328 385 2HG1 ILE 51 2HG1 ILE 51 2.747 -5.700 1.710 386 1HG2 ILE 51 1HG2 ILE 51 0.594 -7.487 2.227 387 2HG2 ILE 51 2HG2 ILE 51 2.085 -7.944 1.433 388 3HG2 ILE 51 3HG2 ILE 51 0.543 -8.387 0.724 389 1HD1 ILE 51 1HD1 ILE 51 2.624 -3.980 -0.049 390 2HD1 ILE 51 2HD1 ILE 51 2.406 -3.256 1.527 391 3HD1 ILE 51 3HD1 ILE 51 1.003 -3.549 0.499 392 H VAL 52 H VAL 52 2.827 -8.697 -0.972 393 HA VAL 52 HA VAL 52 0.782 -9.941 -2.725 394 HB VAL 52 HB VAL 52 3.684 -10.691 -2.211 395 1HG1 VAL 52 1HG1 VAL 52 1.664 -12.048 -3.991 396 2HG1 VAL 52 2HG1 VAL 52 2.410 -12.671 -2.531 397 3HG1 VAL 52 3HG1 VAL 52 3.392 -12.399 -3.954 398 1HG2 VAL 52 1HG2 VAL 52 2.287 -9.606 -4.707 399 2HG2 VAL 52 2HG2 VAL 52 3.985 -10.062 -4.636 400 3HG2 VAL 52 3HG2 VAL 52 3.396 -8.694 -3.702 401 H TYR 53 H TYR 53 -0.274 -11.656 -1.825 402 HA TYR 53 HA TYR 53 0.817 -13.063 0.444 403 1HB TYR 53 1HB TYR 53 -0.848 -12.322 2.119 404 2HB TYR 53 2HB TYR 53 0.146 -10.977 1.576 405 HD1 TYR 53 HD1 TYR 53 -0.902 -9.427 -0.271 406 HD2 TYR 53 HD2 TYR 53 -3.170 -12.229 2.003 407 HE1 TYR 53 HE1 TYR 53 -2.951 -8.210 -0.811 408 HE2 TYR 53 HE2 TYR 53 -5.216 -11.007 1.445 409 HH TYR 53 HH TYR 53 -5.730 -9.211 -0.825 410 H GLN 54 H GLN 54 -0.577 -14.662 1.304 411 HA GLN 54 HA GLN 54 -2.388 -15.774 -0.746 412 1HB GLN 54 1HB GLN 54 -2.584 -17.715 0.926 413 2HB GLN 54 2HB GLN 54 -1.075 -17.491 0.085 414 1HG GLN 54 1HG GLN 54 -1.514 -16.155 2.729 415 2HG GLN 54 2HG GLN 54 -1.121 -17.878 2.669 416 1HE2 GLN 54 1HE2 GLN 54 0.802 -16.734 3.937 417 2HE2 GLN 54 2HE2 GLN 54 2.143 -16.313 2.988 418 HA PRO 55 HA PRO 55 -5.634 -13.700 0.588 419 1HB PRO 55 1HB PRO 55 -7.787 -15.078 -0.448 420 2HB PRO 55 2HB PRO 55 -6.586 -14.223 -1.407 421 1HG PRO 55 1HG PRO 55 -6.926 -17.143 -1.023 422 2HG PRO 55 2HG PRO 55 -6.131 -16.281 -2.333 423 1HD PRO 55 1HD PRO 55 -4.858 -17.600 -0.109 424 2HD PRO 55 2HD PRO 55 -4.085 -16.630 -1.373 425 H HIS 56 H HIS 56 -6.714 -16.998 1.326 426 HA HIS 56 HA HIS 56 -8.671 -16.299 3.264 427 1HB HIS 56 1HB HIS 56 -8.687 -18.672 3.804 428 2HB HIS 56 2HB HIS 56 -8.589 -18.438 2.070 429 HD1 HIS 56 HD1 HIS 56 -6.354 -19.232 0.986 430 HD2 HIS 56 HD2 HIS 56 -6.405 -19.634 5.034 431 HE1 HIS 56 HE1 HIS 56 -4.392 -20.623 1.556 432 H LEU 57 H LEU 57 -5.391 -15.864 3.692 433 HA LEU 57 HA LEU 57 -5.243 -16.646 6.489 434 1HB LEU 57 1HB LEU 57 -3.427 -15.007 4.660 435 2HB LEU 57 2HB LEU 57 -3.079 -15.216 6.353 436 HG LEU 57 HG LEU 57 -1.797 -16.810 4.912 437 1HD1 LEU 57 1HD1 LEU 57 -2.322 -17.451 7.244 438 2HD1 LEU 57 2HD1 LEU 57 -2.296 -18.859 6.196 439 3HD1 LEU 57 3HD1 LEU 57 -3.828 -18.188 6.723 440 1HD2 LEU 57 1HD2 LEU 57 -3.516 -17.131 3.130 441 2HD2 LEU 57 2HD2 LEU 57 -4.507 -17.991 4.284 442 3HD2 LEU 57 3HD2 LEU 57 -2.971 -18.666 3.790 443 H ILE 58 H ILE 58 -5.280 -13.672 4.660 444 HA ILE 58 HA ILE 58 -7.066 -12.256 6.383 445 HB ILE 58 HB ILE 58 -5.104 -12.158 7.851 446 1HG1 ILE 58 1HG1 ILE 58 -5.474 -9.421 6.549 447 2HG1 ILE 58 2HG1 ILE 58 -6.652 -10.139 7.630 448 1HG2 ILE 58 1HG2 ILE 58 -2.983 -11.033 7.080 449 2HG2 ILE 58 2HG2 ILE 58 -3.672 -10.834 5.481 450 3HG2 ILE 58 3HG2 ILE 58 -3.336 -12.441 6.099 451 1HD1 ILE 58 1HD1 ILE 58 -4.927 -10.210 9.417 452 2HD1 ILE 58 2HD1 ILE 58 -5.186 -8.577 8.822 453 3HD1 ILE 58 3HD1 ILE 58 -3.763 -9.473 8.321 454 H SER 59 H SER 59 -7.299 -10.002 5.621 455 HA SER 59 HA SER 59 -6.641 -9.735 2.700 456 1HB SER 59 1HB SER 59 -8.894 -8.460 4.309 457 2HB SER 59 2HB SER 59 -8.617 -8.285 2.563 458 HG SER 59 HG SER 59 -8.972 -10.734 3.954 459 H VAL 60 H VAL 60 -4.945 -8.543 2.487 460 HA VAL 60 HA VAL 60 -4.064 -6.589 4.382 461 HB VAL 60 HB VAL 60 -3.250 -7.115 1.494 462 1HG1 VAL 60 1HG1 VAL 60 -2.497 -4.859 2.218 463 2HG1 VAL 60 2HG1 VAL 60 -1.123 -5.933 2.094 464 3HG1 VAL 60 3HG1 VAL 60 -1.784 -5.543 3.670 465 1HG2 VAL 60 1HG2 VAL 60 -1.370 -8.401 2.520 466 2HG2 VAL 60 2HG2 VAL 60 -2.912 -9.067 3.013 467 3HG2 VAL 60 3HG2 VAL 60 -2.000 -8.060 4.119 468 H GLU 61 H GLU 61 -6.171 -6.611 1.711 469 HA GLU 61 HA GLU 61 -6.120 -3.844 1.033 470 1HB GLU 61 1HB GLU 61 -7.064 -5.772 -0.360 471 2HB GLU 61 2HB GLU 61 -8.427 -5.834 0.742 472 1HG GLU 61 1HG GLU 61 -9.021 -3.520 0.199 473 2HG GLU 61 2HG GLU 61 -7.573 -3.367 -0.792 474 H GLU 62 H GLU 62 -7.673 -5.723 3.490 475 HA GLU 62 HA GLU 62 -9.618 -3.765 4.335 476 1HB GLU 62 1HB GLU 62 -9.642 -6.252 4.820 477 2HB GLU 62 2HB GLU 62 -8.270 -6.016 5.873 478 1HG GLU 62 1HG GLU 62 -9.637 -4.478 7.316 479 2HG GLU 62 2HG GLU 62 -11.003 -4.693 6.233 480 H MET 63 H MET 63 -6.322 -4.647 5.112 481 HA MET 63 HA MET 63 -5.890 -2.849 7.254 482 1HB MET 63 1HB MET 63 -4.071 -4.285 5.393 483 2HB MET 63 2HB MET 63 -3.432 -3.207 6.612 484 1HG MET 63 1HG MET 63 -3.565 -5.616 7.283 485 2HG MET 63 2HG MET 63 -4.322 -4.511 8.383 486 1HE MET 63 1HE MET 63 -6.271 -4.605 9.284 487 2HE MET 63 2HE MET 63 -7.515 -5.807 9.106 488 3HE MET 63 3HE MET 63 -7.517 -4.385 8.051 489 H LYS 64 H LYS 64 -6.184 -2.366 3.885 490 HA LYS 64 HA LYS 64 -4.706 0.194 3.894 491 1HB LYS 64 1HB LYS 64 -5.780 -1.659 1.802 492 2HB LYS 64 2HB LYS 64 -5.867 0.041 1.398 493 1HG LYS 64 1HG LYS 64 -3.760 -0.777 0.590 494 2HG LYS 64 2HG LYS 64 -3.431 0.259 1.960 495 1HD LYS 64 1HD LYS 64 -3.231 -1.802 3.415 496 2HD LYS 64 2HD LYS 64 -3.466 -2.777 1.969 497 1HE LYS 64 1HE LYS 64 -1.467 -1.720 0.932 498 2HE LYS 64 2HE LYS 64 -1.214 -0.777 2.392 499 1HZ LYS 64 1HZ LYS 64 -1.467 -3.387 3.214 500 2HZ LYS 64 2HZ LYS 64 -0.051 -2.450 3.158 501 3HZ LYS 64 3HZ LYS 64 -0.470 -3.440 1.841 502 H LYS 65 H LYS 65 -7.888 -1.035 4.281 503 HA LYS 65 HA LYS 65 -9.352 1.238 3.414 504 1HB LYS 65 1HB LYS 65 -10.284 -1.059 3.784 505 2HB LYS 65 2HB LYS 65 -10.018 -0.865 5.505 506 1HG LYS 65 1HG LYS 65 -11.587 1.048 5.553 507 2HG LYS 65 2HG LYS 65 -11.833 0.890 3.817 508 1HD LYS 65 1HD LYS 65 -12.734 -1.409 4.160 509 2HD LYS 65 2HD LYS 65 -12.478 -1.256 5.891 510 1HE LYS 65 1HE LYS 65 -14.053 0.682 5.949 511 2HE LYS 65 2HE LYS 65 -14.321 0.507 4.219 512 1HZ LYS 65 1HZ LYS 65 -14.890 -1.560 6.261 513 2HZ LYS 65 2HZ LYS 65 -15.183 -1.697 4.593 514 3HZ LYS 65 3HZ LYS 65 -16.041 -0.558 5.516 515 H GLN 66 H GLN 66 -8.072 0.277 6.540 516 HA GLN 66 HA GLN 66 -9.103 2.470 7.998 517 1HB GLN 66 1HB GLN 66 -7.474 1.717 9.729 518 2HB GLN 66 2HB GLN 66 -8.358 0.386 9.052 519 1HG GLN 66 1HG GLN 66 -6.211 -0.499 9.070 520 2HG GLN 66 2HG GLN 66 -6.314 0.137 7.439 521 1HE2 GLN 66 1HE2 GLN 66 -6.001 2.834 9.309 522 2HE2 GLN 66 2HE2 GLN 66 -4.308 2.995 9.315 523 H ILE 67 H ILE 67 -6.299 2.062 5.969 524 HA ILE 67 HA ILE 67 -4.859 4.410 6.805 525 HB ILE 67 HB ILE 67 -4.845 2.797 4.219 526 1HG1 ILE 67 1HG1 ILE 67 -3.065 2.783 6.691 527 2HG1 ILE 67 2HG1 ILE 67 -4.222 1.556 6.246 528 1HG2 ILE 67 1HG2 ILE 67 -2.895 4.920 5.181 529 2HG2 ILE 67 2HG2 ILE 67 -3.960 5.032 3.786 530 3HG2 ILE 67 3HG2 ILE 67 -2.644 3.886 3.781 531 1HD1 ILE 67 1HD1 ILE 67 -1.718 2.206 4.642 532 2HD1 ILE 67 2HD1 ILE 67 -2.899 0.994 4.208 533 3HD1 ILE 67 3HD1 ILE 67 -1.954 0.808 5.670 534 H GLU 68 H GLU 68 -7.376 3.631 4.554 535 HA GLU 68 HA GLU 68 -7.486 6.307 3.349 536 1HB GLU 68 1HB GLU 68 -9.267 3.875 3.183 537 2HB GLU 68 2HB GLU 68 -9.506 5.343 2.262 538 1HG GLU 68 1HG GLU 68 -7.320 5.039 1.163 539 2HG GLU 68 2HG GLU 68 -6.906 3.706 2.203 540 H ALA 69 H ALA 69 -8.719 4.783 6.061 541 HA ALA 69 HA ALA 69 -11.076 6.474 6.395 542 1HB ALA 69 1HB ALA 69 -11.252 5.349 8.592 543 2HB ALA 69 2HB ALA 69 -9.668 4.630 8.356 544 3HB ALA 69 3HB ALA 69 -11.004 4.170 7.310 545 H MET 70 H MET 70 -7.760 6.311 7.618 546 HA MET 70 HA MET 70 -8.067 8.412 9.496 547 1HB MET 70 1HB MET 70 -5.595 8.198 9.653 548 2HB MET 70 2HB MET 70 -6.410 6.657 9.772 549 1HG MET 70 1HG MET 70 -5.900 6.165 7.494 550 2HG MET 70 2HG MET 70 -5.103 7.698 7.261 551 1HE MET 70 1HE MET 70 -1.564 6.831 7.727 552 2HE MET 70 2HE MET 70 -2.658 8.190 7.855 553 3HE MET 70 3HE MET 70 -2.747 7.082 6.462 554 H GLY 71 H GLY 71 -7.775 8.375 6.123 555 1HA GLY 71 1HA GLY 71 -8.248 10.642 5.152 556 2HA GLY 71 2HA GLY 71 -6.925 11.250 6.123 557 H PHE 72 H PHE 72 -6.221 8.232 4.744 558 HA PHE 72 HA PHE 72 -4.665 9.567 2.553 559 1HB PHE 72 1HB PHE 72 -4.017 7.065 4.172 560 2HB PHE 72 2HB PHE 72 -3.183 7.526 2.724 561 HD1 PHE 72 HD1 PHE 72 -1.139 8.513 3.110 562 HD2 PHE 72 HD2 PHE 72 -4.291 9.326 5.862 563 HE1 PHE 72 HE1 PHE 72 0.349 9.956 4.378 564 HE2 PHE 72 HE2 PHE 72 -2.803 10.766 7.131 565 HZ PHE 72 HZ PHE 72 -0.491 11.104 6.421 566 HA PRO 73 HA PRO 73 -7.975 6.961 0.514 567 1HB PRO 73 1HB PRO 73 -7.588 8.701 -1.764 568 2HB PRO 73 2HB PRO 73 -9.029 8.463 -0.786 569 1HG PRO 73 1HG PRO 73 -7.176 10.694 -0.741 570 2HG PRO 73 2HG PRO 73 -8.687 10.531 0.139 571 1HD PRO 73 1HD PRO 73 -6.077 10.436 1.259 572 2HD PRO 73 2HD PRO 73 -7.585 9.998 2.083 573 H ALA 74 H ALA 74 -7.450 5.336 -0.727 574 HA ALA 74 HA ALA 74 -4.806 5.330 -2.118 575 1HB ALA 74 1HB ALA 74 -6.102 3.023 -0.607 576 2HB ALA 74 2HB ALA 74 -4.744 3.966 -0.029 577 3HB ALA 74 3HB ALA 74 -4.564 2.951 -1.451 578 H PHE 75 H PHE 75 -4.686 4.584 -4.000 579 HA PHE 75 HA PHE 75 -7.172 3.983 -5.467 580 1HB PHE 75 1HB PHE 75 -4.318 4.165 -6.562 581 2HB PHE 75 2HB PHE 75 -5.796 4.236 -7.497 582 HD1 PHE 75 HD1 PHE 75 -3.299 6.269 -6.248 583 HD2 PHE 75 HD2 PHE 75 -7.554 6.095 -6.413 584 HE1 PHE 75 HE1 PHE 75 -3.411 8.690 -5.929 585 HE2 PHE 75 HE2 PHE 75 -7.659 8.521 -6.095 586 HZ PHE 75 HZ PHE 75 -5.590 9.826 -5.852 587 H VAL 76 H VAL 76 -7.321 2.152 -4.065 588 HA VAL 76 HA VAL 76 -5.610 -0.109 -4.172 589 HB VAL 76 HB VAL 76 -8.551 0.188 -3.397 590 1HG1 VAL 76 1HG1 VAL 76 -8.316 -1.931 -2.176 591 2HG1 VAL 76 2HG1 VAL 76 -6.680 -2.145 -2.779 592 3HG1 VAL 76 3HG1 VAL 76 -8.044 -2.208 -3.882 593 1HG2 VAL 76 1HG2 VAL 76 -7.662 0.202 -1.074 594 2HG2 VAL 76 2HG2 VAL 76 -6.996 1.521 -2.014 595 3HG2 VAL 76 3HG2 VAL 76 -6.023 0.096 -1.695 596 H LYS 77 H LYS 77 -5.474 -1.741 -5.492 597 HA LYS 77 HA LYS 77 -7.261 -1.897 -7.877 598 1HB LYS 77 1HB LYS 77 -4.757 -1.749 -8.237 599 2HB LYS 77 2HB LYS 77 -4.559 -3.238 -7.329 600 1HG LYS 77 1HG LYS 77 -6.032 -4.412 -9.003 601 2HG LYS 77 2HG LYS 77 -6.123 -2.920 -9.921 602 1HD LYS 77 1HD LYS 77 -3.651 -2.936 -10.210 603 2HD LYS 77 2HD LYS 77 -3.539 -4.402 -9.251 604 1HE LYS 77 1HE LYS 77 -3.483 -4.946 -11.664 605 2HE LYS 77 2HE LYS 77 -4.939 -5.605 -10.934 606 1HZ LYS 77 1HZ LYS 77 -6.242 -3.929 -11.855 607 2HZ LYS 77 2HZ LYS 77 -5.185 -4.381 -13.105 608 3HZ LYS 77 3HZ LYS 77 -4.904 -2.953 -12.230 609 H LYS 78 H LYS 78 -8.976 -3.006 -7.126 610 HA LYS 78 HA LYS 78 -9.052 -5.030 -5.186 611 1HB LYS 78 1HB LYS 78 -10.877 -4.761 -7.621 612 2HB LYS 78 2HB LYS 78 -11.281 -5.586 -6.129 613 1HG LYS 78 1HG LYS 78 -10.730 -2.593 -6.422 614 2HG LYS 78 2HG LYS 78 -12.297 -3.330 -6.180 615 1HD LYS 78 1HD LYS 78 -11.601 -4.171 -3.951 616 2HD LYS 78 2HD LYS 78 -10.001 -3.487 -4.178 617 1HE LYS 78 1HE LYS 78 -12.547 -1.842 -4.125 618 2HE LYS 78 2HE LYS 78 -11.405 -1.998 -2.796 619 1HZ LYS 78 1HZ LYS 78 -10.632 -0.130 -3.772 620 2HZ LYS 78 2HZ LYS 78 -11.117 -0.589 -5.334 621 3HZ LYS 78 3HZ LYS 78 -9.724 -1.271 -4.644 622 H GLN 79 H GLN 79 -8.372 -5.208 -8.578 623 HA GLN 79 HA GLN 79 -7.719 -6.938 -9.996 624 1HB GLN 79 1HB GLN 79 -5.786 -6.530 -8.414 625 2HB GLN 79 2HB GLN 79 -6.369 -7.853 -7.432 626 1HG GLN 79 1HG GLN 79 -5.983 -9.452 -9.277 627 2HG GLN 79 2HG GLN 79 -5.488 -8.128 -10.331 628 1HE2 GLN 79 1HE2 GLN 79 -3.446 -7.108 -9.928 629 2HE2 GLN 79 2HE2 GLN 79 -2.297 -7.757 -8.863 630 HA PRO 80 HA PRO 80 -11.038 -9.677 -8.146 631 1HB PRO 80 1HB PRO 80 -12.543 -9.683 -10.568 632 2HB PRO 80 2HB PRO 80 -12.905 -8.803 -9.092 633 1HG PRO 80 1HG PRO 80 -11.871 -7.773 -11.622 634 2HG PRO 80 2HG PRO 80 -12.493 -6.878 -10.245 635 1HD PRO 80 1HD PRO 80 -9.748 -7.127 -11.028 636 2HD PRO 80 2HD PRO 80 -10.367 -6.366 -9.552 637 H LYS 81 H LYS 81 -11.038 -11.833 -8.296 638 HA LYS 81 HA LYS 81 -9.116 -13.180 -9.945 639 1HB LYS 81 1HB LYS 81 -9.885 -13.946 -7.670 640 2HB LYS 81 2HB LYS 81 -11.446 -14.354 -8.355 641 1HG LYS 81 1HG LYS 81 -10.424 -16.035 -9.826 642 2HG LYS 81 2HG LYS 81 -8.812 -15.557 -9.315 643 1HD LYS 81 1HD LYS 81 -9.389 -16.266 -6.977 644 2HD LYS 81 2HD LYS 81 -10.975 -16.769 -7.537 645 1HE LYS 81 1HE LYS 81 -9.923 -18.407 -9.083 646 2HE LYS 81 2HE LYS 81 -8.327 -17.889 -8.554 647 1HZ LYS 81 1HZ LYS 81 -10.422 -19.171 -6.902 648 2HZ LYS 81 2HZ LYS 81 -8.968 -18.543 -6.285 649 3HZ LYS 81 3HZ LYS 81 -8.936 -19.840 -7.380 650 H TYR 82 H TYR 82 -9.534 -14.820 -11.473 651 HA TYR 82 HA TYR 82 -10.618 -14.352 -13.830 652 1HB TYR 82 1HB TYR 82 -10.991 -17.054 -12.466 653 2HB TYR 82 2HB TYR 82 -10.937 -16.776 -14.201 654 HD1 TYR 82 HD1 TYR 82 -8.783 -15.867 -15.230 655 HD2 TYR 82 HD2 TYR 82 -8.975 -17.199 -11.190 656 HE1 TYR 82 HE1 TYR 82 -6.340 -16.025 -15.161 657 HE2 TYR 82 HE2 TYR 82 -6.541 -17.353 -11.122 658 HH TYR 82 HH TYR 82 -4.619 -16.720 -12.186 659 H LEU 83 H LEU 83 -12.402 -13.227 -14.175 660 HA LEU 83 HA LEU 83 -14.936 -13.606 -12.886 661 1HB LEU 83 1HB LEU 83 -14.249 -12.321 -15.576 662 2HB LEU 83 2HB LEU 83 -15.825 -12.222 -14.833 663 HG LEU 83 HG LEU 83 -14.682 -10.146 -14.411 664 1HD1 LEU 83 1HD1 LEU 83 -14.671 -10.030 -11.944 665 2HD1 LEU 83 2HD1 LEU 83 -14.661 -11.779 -11.841 666 3HD1 LEU 83 3HD1 LEU 83 -16.046 -10.947 -12.533 667 1HD2 LEU 83 1HD2 LEU 83 -12.363 -11.678 -13.161 668 2HD2 LEU 83 2HD2 LEU 83 -12.542 -9.944 -13.227 669 3HD2 LEU 83 3HD2 LEU 83 -12.338 -10.854 -14.711 670 H LYS 84 H LYS 84 -13.529 -14.798 -15.850 671 HA LYS 84 HA LYS 84 -15.887 -16.187 -16.771 672 1HB LYS 84 1HB LYS 84 -14.081 -15.473 -18.317 673 2HB LYS 84 2HB LYS 84 -12.935 -16.504 -17.492 674 1HG LYS 84 1HG LYS 84 -13.689 -17.575 -19.570 675 2HG LYS 84 2HG LYS 84 -14.220 -18.522 -18.199 676 1HD LYS 84 1HD LYS 84 -16.496 -17.485 -18.375 677 2HD LYS 84 2HD LYS 84 -15.944 -16.514 -19.730 678 1HE LYS 84 1HE LYS 84 -15.477 -18.600 -21.016 679 2HE LYS 84 2HE LYS 84 -16.018 -19.563 -19.647 680 1HZ LYS 84 1HZ LYS 84 -17.662 -17.610 -21.146 681 2HZ LYS 84 2HZ LYS 84 -18.186 -18.534 -19.821 682 3HZ LYS 84 3HZ LYS 84 -17.753 -19.301 -21.274 Start of MODEL 17 1 1H GLY 1 1H GLY 1 8.825 -14.042 3.768 2 2H GLY 1 2H GLY 1 9.904 -14.722 2.646 3 3H GLY 1 3H GLY 1 8.772 -15.708 3.439 4 1HA GLY 1 1HA GLY 1 6.961 -14.529 2.353 5 2HA GLY 1 2HA GLY 1 8.162 -13.562 1.487 6 H SER 2 H SER 2 6.550 -16.569 1.725 7 HA SER 2 HA SER 2 8.220 -17.956 -0.258 8 1HB SER 2 1HB SER 2 7.207 -19.238 1.634 9 2HB SER 2 2HB SER 2 5.589 -18.821 1.049 10 HG SER 2 HG SER 2 7.604 -20.072 -0.506 11 H MET 3 H MET 3 7.868 -17.995 -2.351 12 HA MET 3 HA MET 3 5.610 -16.501 -3.515 13 1HB MET 3 1HB MET 3 7.990 -16.284 -4.384 14 2HB MET 3 2HB MET 3 7.922 -17.955 -4.892 15 1HG MET 3 1HG MET 3 6.000 -17.437 -6.361 16 2HG MET 3 2HG MET 3 6.024 -15.779 -5.831 17 1HE MET 3 1HE MET 3 8.717 -14.077 -7.730 18 2HE MET 3 2HE MET 3 8.703 -14.519 -6.030 19 3HE MET 3 3HE MET 3 7.218 -13.954 -6.834 20 H ALA 4 H ALA 4 3.824 -17.723 -3.202 21 HA ALA 4 HA ALA 4 3.714 -20.591 -3.699 22 1HB ALA 4 1HB ALA 4 1.275 -20.278 -3.232 23 2HB ALA 4 2HB ALA 4 1.485 -18.539 -3.323 24 3HB ALA 4 3HB ALA 4 2.249 -19.451 -2.032 25 H GLN 5 H GLN 5 1.155 -20.557 -5.082 26 HA GLN 5 HA GLN 5 1.903 -19.622 -7.823 27 1HB GLN 5 1HB GLN 5 0.710 -22.336 -7.051 28 2HB GLN 5 2HB GLN 5 0.860 -21.757 -8.694 29 1HG GLN 5 1HG GLN 5 2.736 -23.239 -8.277 30 2HG GLN 5 2HG GLN 5 3.373 -21.608 -8.356 31 1HE2 GLN 5 1HE2 GLN 5 5.066 -21.567 -6.885 32 2HE2 GLN 5 2HE2 GLN 5 4.978 -22.117 -5.282 33 H ALA 6 H ALA 6 -0.674 -21.117 -5.952 34 HA ALA 6 HA ALA 6 -2.686 -19.265 -7.156 35 1HB ALA 6 1HB ALA 6 -3.057 -21.943 -5.751 36 2HB ALA 6 2HB ALA 6 -3.110 -21.687 -7.488 37 3HB ALA 6 3HB ALA 6 -4.346 -20.980 -6.460 38 H GLY 7 H GLY 7 -1.186 -20.314 -4.229 39 1HA GLY 7 1HA GLY 7 -3.083 -18.954 -2.434 40 2HA GLY 7 2HA GLY 7 -1.620 -19.813 -1.958 41 H GLU 8 H GLU 8 -2.064 -17.201 -4.282 42 HA GLU 8 HA GLU 8 -0.795 -15.214 -2.582 43 1HB GLU 8 1HB GLU 8 1.133 -14.858 -4.096 44 2HB GLU 8 2HB GLU 8 1.086 -16.485 -3.433 45 1HG GLU 8 1HG GLU 8 0.084 -17.369 -5.515 46 2HG GLU 8 2HG GLU 8 0.094 -15.762 -6.217 47 H VAL 9 H VAL 9 -1.087 -13.162 -3.246 48 HA VAL 9 HA VAL 9 -2.379 -12.573 -5.849 49 HB VAL 9 HB VAL 9 -4.040 -11.030 -4.476 50 1HG1 VAL 9 1HG1 VAL 9 -5.652 -12.903 -4.255 51 2HG1 VAL 9 2HG1 VAL 9 -4.340 -14.063 -4.383 52 3HG1 VAL 9 3HG1 VAL 9 -4.746 -13.040 -5.751 53 1HG2 VAL 9 1HG2 VAL 9 -3.430 -13.104 -2.332 54 2HG2 VAL 9 2HG2 VAL 9 -4.630 -11.845 -2.236 55 3HG2 VAL 9 3HG2 VAL 9 -2.926 -11.425 -2.211 56 H VAL 10 H VAL 10 -0.888 -11.362 -6.629 57 HA VAL 10 HA VAL 10 0.666 -9.434 -5.063 58 HB VAL 10 HB VAL 10 1.875 -9.097 -7.270 59 1HG1 VAL 10 1HG1 VAL 10 2.772 -11.405 -7.470 60 2HG1 VAL 10 2HG1 VAL 10 1.417 -12.026 -6.544 61 3HG1 VAL 10 3HG1 VAL 10 2.588 -10.961 -5.789 62 1HG2 VAL 10 1HG2 VAL 10 -0.071 -9.455 -8.834 63 2HG2 VAL 10 2HG2 VAL 10 -0.127 -11.142 -8.361 64 3HG2 VAL 10 3HG2 VAL 10 1.267 -10.513 -9.218 65 H LEU 11 H LEU 11 -1.639 -8.517 -4.662 66 HA LEU 11 HA LEU 11 -2.616 -6.660 -6.697 67 1HB LEU 11 1HB LEU 11 -3.340 -6.835 -3.750 68 2HB LEU 11 2HB LEU 11 -4.240 -5.968 -4.980 69 HG LEU 11 HG LEU 11 -3.790 -8.988 -4.919 70 1HD1 LEU 11 1HD1 LEU 11 -6.289 -7.321 -4.385 71 2HD1 LEU 11 2HD1 LEU 11 -5.343 -8.166 -3.173 72 3HD1 LEU 11 3HD1 LEU 11 -6.220 -9.078 -4.391 73 1HD2 LEU 11 1HD2 LEU 11 -4.033 -8.135 -7.262 74 2HD2 LEU 11 2HD2 LEU 11 -5.512 -7.305 -6.802 75 3HD2 LEU 11 3HD2 LEU 11 -5.440 -9.058 -6.782 76 H LYS 12 H LYS 12 -2.562 -4.522 -6.687 77 HA LYS 12 HA LYS 12 -0.463 -3.166 -5.061 78 1HB LYS 12 1HB LYS 12 0.025 -3.253 -7.507 79 2HB LYS 12 2HB LYS 12 -1.514 -2.496 -7.850 80 1HG LYS 12 1HG LYS 12 0.411 -1.097 -5.970 81 2HG LYS 12 2HG LYS 12 0.756 -1.046 -7.677 82 1HD LYS 12 1HD LYS 12 -2.071 -0.340 -6.987 83 2HD LYS 12 2HD LYS 12 -0.879 0.738 -6.304 84 1HE LYS 12 1HE LYS 12 -1.630 1.514 -8.535 85 2HE LYS 12 2HE LYS 12 0.074 1.112 -8.574 86 1HZ LYS 12 1HZ LYS 12 -2.060 -0.015 -10.035 87 2HZ LYS 12 2HZ LYS 12 -1.218 -1.223 -9.188 88 3HZ LYS 12 3HZ LYS 12 -0.386 -0.189 -10.245 89 H MET 13 H MET 13 -0.893 -1.352 -4.112 90 HA MET 13 HA MET 13 -3.614 -0.140 -4.175 91 1HB MET 13 1HB MET 13 -1.926 -0.571 -1.664 92 2HB MET 13 2HB MET 13 -3.536 0.102 -1.712 93 1HG MET 13 1HG MET 13 -3.800 -2.163 -0.997 94 2HG MET 13 2HG MET 13 -4.388 -2.068 -2.623 95 1HE MET 13 1HE MET 13 -0.909 -4.518 -1.049 96 2HE MET 13 2HE MET 13 -2.316 -3.980 -0.148 97 3HE MET 13 3HE MET 13 -1.071 -2.816 -0.661 98 H LYS 14 H LYS 14 -3.498 2.021 -4.220 99 HA LYS 14 HA LYS 14 -0.803 3.300 -4.047 100 1HB LYS 14 1HB LYS 14 -1.633 2.937 -6.318 101 2HB LYS 14 2HB LYS 14 -3.059 3.845 -5.884 102 1HG LYS 14 1HG LYS 14 -1.817 5.910 -5.658 103 2HG LYS 14 2HG LYS 14 -0.285 5.063 -5.740 104 1HD LYS 14 1HD LYS 14 -0.790 6.193 -7.884 105 2HD LYS 14 2HD LYS 14 -0.717 4.460 -8.101 106 1HE LYS 14 1HE LYS 14 -3.347 5.956 -7.720 107 2HE LYS 14 2HE LYS 14 -2.653 5.629 -9.297 108 1HZ LYS 14 1HZ LYS 14 -2.596 3.212 -8.067 109 2HZ LYS 14 2HZ LYS 14 -3.744 3.732 -9.203 110 3HZ LYS 14 3HZ LYS 14 -4.067 3.882 -7.543 111 H VAL 15 H VAL 15 -1.166 3.874 -1.888 112 HA VAL 15 HA VAL 15 -3.326 5.351 -0.913 113 HB VAL 15 HB VAL 15 -0.530 4.625 -0.061 114 1HG1 VAL 15 1HG1 VAL 15 -0.521 6.009 1.964 115 2HG1 VAL 15 2HG1 VAL 15 -1.970 6.842 1.431 116 3HG1 VAL 15 3HG1 VAL 15 -0.462 7.034 0.544 117 1HG2 VAL 15 1HG2 VAL 15 -2.526 3.335 0.590 118 2HG2 VAL 15 2HG2 VAL 15 -3.158 4.759 1.423 119 3HG2 VAL 15 3HG2 VAL 15 -1.686 3.987 1.994 120 H GLU 16 H GLU 16 -3.203 7.439 0.106 121 HA GLU 16 HA GLU 16 -2.448 9.538 -1.852 122 1HB GLU 16 1HB GLU 16 -4.788 9.526 -0.915 123 2HB GLU 16 2HB GLU 16 -4.128 9.615 0.707 124 1HG GLU 16 1HG GLU 16 -2.966 11.810 -0.059 125 2HG GLU 16 2HG GLU 16 -3.972 11.705 -1.491 126 H GLY 17 H GLY 17 -0.531 10.605 -1.422 127 1HA GLY 17 1HA GLY 17 0.946 10.055 0.978 128 2HA GLY 17 2HA GLY 17 1.486 11.056 -0.357 129 H MET 18 H MET 18 -1.549 11.582 1.174 130 HA MET 18 HA MET 18 -2.505 13.313 2.319 131 1HB MET 18 1HB MET 18 -0.937 12.349 4.077 132 2HB MET 18 2HB MET 18 0.276 13.525 3.622 133 1HG MET 18 1HG MET 18 -1.064 14.200 5.597 134 2HG MET 18 2HG MET 18 -1.123 15.358 4.306 135 1HE MET 18 1HE MET 18 -3.286 11.995 5.004 136 2HE MET 18 2HE MET 18 -4.484 12.805 6.009 137 3HE MET 18 3HE MET 18 -2.806 12.840 6.496 138 H THR 19 H THR 19 0.268 15.240 2.839 139 HA THR 19 HA THR 19 0.540 16.580 0.356 140 HB THR 19 HB THR 19 -1.785 17.361 0.542 141 HG1 THR 19 HG1 THR 19 -0.128 19.369 1.642 142 1HG2 THR 19 1HG2 THR 19 -2.626 18.499 2.569 143 2HG2 THR 19 2HG2 THR 19 -1.075 18.291 3.373 144 3HG2 THR 19 3HG2 THR 19 -2.080 16.897 3.019 145 H CYS 20 H CYS 20 0.848 16.548 3.807 146 HA CYS 20 HA CYS 20 3.404 17.890 3.624 147 1HB CYS 20 1HB CYS 20 2.792 19.691 5.258 148 2HB CYS 20 2HB CYS 20 2.003 19.848 3.716 149 H HIS 21 H HIS 21 1.155 16.010 5.367 150 HA HIS 21 HA HIS 21 3.288 15.255 7.298 151 1HB HIS 21 1HB HIS 21 0.469 16.139 8.087 152 2HB HIS 21 2HB HIS 21 1.589 15.345 9.189 153 HD1 HIS 21 HD1 HIS 21 1.085 18.570 7.462 154 HD2 HIS 21 HD2 HIS 21 3.800 16.925 10.024 155 HE1 HIS 21 HE1 HIS 21 2.492 20.430 8.265 156 H SER 22 H SER 22 3.417 13.415 5.997 157 HA SER 22 HA SER 22 1.116 11.576 5.884 158 1HB SER 22 1HB SER 22 3.966 11.257 4.833 159 2HB SER 22 2HB SER 22 2.615 10.160 4.504 160 HG SER 22 HG SER 22 1.520 11.792 3.520 161 H CYS 23 H CYS 23 0.707 10.519 7.700 162 HA CYS 23 HA CYS 23 2.735 9.825 9.675 163 1HB CYS 23 1HB CYS 23 0.437 10.532 10.266 164 2HB CYS 23 2HB CYS 23 -0.207 9.125 9.468 165 H THR 24 H THR 24 2.721 8.601 6.896 166 HA THR 24 HA THR 24 2.069 5.845 7.052 167 HB THR 24 HB THR 24 3.660 5.633 5.088 168 HG1 THR 24 HG1 THR 24 4.058 8.356 5.801 169 1HG2 THR 24 1HG2 THR 24 1.935 8.191 4.966 170 2HG2 THR 24 2HG2 THR 24 1.301 6.589 4.650 171 3HG2 THR 24 3HG2 THR 24 2.501 7.282 3.577 172 H SER 25 H SER 25 4.546 7.522 8.593 173 HA SER 25 HA SER 25 6.673 5.643 8.644 174 1HB SER 25 1HB SER 25 6.867 7.986 9.552 175 2HB SER 25 2HB SER 25 5.783 7.551 10.883 176 HG SER 25 HG SER 25 8.164 6.162 10.220 177 H THR 26 H THR 26 3.787 5.997 10.605 178 HA THR 26 HA THR 26 4.321 3.778 12.356 179 HB THR 26 HB THR 26 1.921 4.142 13.107 180 HG1 THR 26 HG1 THR 26 1.928 5.236 10.590 181 1HG2 THR 26 1HG2 THR 26 2.056 6.551 13.686 182 2HG2 THR 26 2HG2 THR 26 3.265 6.828 12.444 183 3HG2 THR 26 3HG2 THR 26 3.665 5.873 13.862 184 H ILE 27 H ILE 27 2.706 4.229 9.289 185 HA ILE 27 HA ILE 27 1.311 1.729 9.217 186 HB ILE 27 HB ILE 27 2.273 3.580 6.985 187 1HG1 ILE 27 1HG1 ILE 27 -0.391 3.274 8.446 188 2HG1 ILE 27 2HG1 ILE 27 0.703 4.630 8.578 189 1HG2 ILE 27 1HG2 ILE 27 0.304 1.262 6.855 190 2HG2 ILE 27 2HG2 ILE 27 1.882 1.319 6.083 191 3HG2 ILE 27 3HG2 ILE 27 0.620 2.388 5.542 192 1HD1 ILE 27 1HD1 ILE 27 0.335 5.179 6.169 193 2HD1 ILE 27 2HD1 ILE 27 -1.158 5.189 7.085 194 3HD1 ILE 27 3HD1 ILE 27 -0.784 3.836 6.048 195 H GLU 28 H GLU 28 4.635 2.611 8.576 196 HA GLU 28 HA GLU 28 5.521 0.586 6.919 197 1HB GLU 28 1HB GLU 28 6.735 2.587 8.038 198 2HB GLU 28 2HB GLU 28 6.994 1.545 9.404 199 1HG GLU 28 1HG GLU 28 7.915 0.963 6.581 200 2HG GLU 28 2HG GLU 28 8.924 1.554 7.894 201 H GLY 29 H GLY 29 5.558 0.538 10.414 202 1HA GLY 29 1HA GLY 29 6.159 -2.250 10.728 203 2HA GLY 29 2HA GLY 29 5.535 -1.195 11.990 204 H LYS 30 H LYS 30 3.159 -0.587 10.208 205 HA LYS 30 HA LYS 30 1.379 -2.592 11.280 206 1HB LYS 30 1HB LYS 30 0.669 -0.238 10.804 207 2HB LYS 30 2HB LYS 30 0.894 -0.512 9.089 208 1HG LYS 30 1HG LYS 30 -0.818 -2.420 9.263 209 2HG LYS 30 2HG LYS 30 -1.157 -1.855 10.885 210 1HD LYS 30 1HD LYS 30 -1.392 -0.163 8.360 211 2HD LYS 30 2HD LYS 30 -2.734 -0.948 9.157 212 1HE LYS 30 1HE LYS 30 -2.273 0.412 11.222 213 2HE LYS 30 2HE LYS 30 -0.971 1.230 10.368 214 1HZ LYS 30 1HZ LYS 30 -3.119 1.404 8.693 215 2HZ LYS 30 2HZ LYS 30 -2.486 2.640 9.671 216 3HZ LYS 30 3HZ LYS 30 -3.766 1.677 10.237 217 H ILE 31 H ILE 31 2.527 -1.780 8.102 218 HA ILE 31 HA ILE 31 1.314 -3.899 6.642 219 HB ILE 31 HB ILE 31 3.799 -2.253 6.027 220 1HG1 ILE 31 1HG1 ILE 31 1.736 -0.879 6.315 221 2HG1 ILE 31 2HG1 ILE 31 2.320 -0.829 4.671 222 1HG2 ILE 31 1HG2 ILE 31 3.739 -4.304 4.648 223 2HG2 ILE 31 2HG2 ILE 31 3.408 -2.895 3.665 224 3HG2 ILE 31 3HG2 ILE 31 2.094 -3.945 4.176 225 1HD1 ILE 31 1HD1 ILE 31 -0.019 -2.503 5.706 226 2HD1 ILE 31 2HD1 ILE 31 0.538 -2.493 4.038 227 3HD1 ILE 31 3HD1 ILE 31 -0.133 -1.040 4.751 228 H GLY 32 H GLY 32 4.369 -3.598 8.310 229 1HA GLY 32 1HA GLY 32 5.503 -6.051 7.367 230 2HA GLY 32 2HA GLY 32 6.103 -5.084 8.706 231 H LYS 33 H LYS 33 3.278 -5.207 9.796 232 HA LYS 33 HA LYS 33 3.638 -7.632 11.374 233 1HB LYS 33 1HB LYS 33 3.420 -5.507 12.469 234 2HB LYS 33 2HB LYS 33 1.824 -5.309 11.765 235 1HG LYS 33 1HG LYS 33 0.939 -7.169 13.042 236 2HG LYS 33 2HG LYS 33 2.548 -7.691 13.527 237 1HD LYS 33 1HD LYS 33 2.836 -5.604 14.782 238 2HD LYS 33 2HD LYS 33 1.254 -5.046 14.255 239 1HE LYS 33 1HE LYS 33 1.783 -7.535 15.956 240 2HE LYS 33 2HE LYS 33 1.127 -6.019 16.555 241 1HZ LYS 33 1HZ LYS 33 -0.690 -6.341 14.866 242 2HZ LYS 33 2HZ LYS 33 -0.694 -7.397 16.196 243 3HZ LYS 33 3HZ LYS 33 -0.123 -7.932 14.688 244 H LEU 34 H LEU 34 1.888 -6.834 8.661 245 HA LEU 34 HA LEU 34 -0.661 -7.828 9.102 246 1HB LEU 34 1HB LEU 34 1.065 -7.890 6.636 247 2HB LEU 34 2HB LEU 34 -0.656 -8.210 6.630 248 HG LEU 34 HG LEU 34 0.638 -5.617 7.510 249 1HD1 LEU 34 1HD1 LEU 34 0.790 -5.998 5.055 250 2HD1 LEU 34 2HD1 LEU 34 -0.371 -4.723 5.383 251 3HD1 LEU 34 3HD1 LEU 34 -0.931 -6.340 4.995 252 1HD2 LEU 34 1HD2 LEU 34 -1.522 -5.991 8.687 253 2HD2 LEU 34 2HD2 LEU 34 -2.303 -6.298 7.144 254 3HD2 LEU 34 3HD2 LEU 34 -1.669 -4.701 7.515 255 H GLN 35 H GLN 35 -1.627 -9.711 9.109 256 HA GLN 35 HA GLN 35 -0.022 -12.136 9.277 257 1HB GLN 35 1HB GLN 35 -2.972 -11.592 9.800 258 2HB GLN 35 2HB GLN 35 -2.252 -13.179 9.952 259 1HG GLN 35 1HG GLN 35 -2.310 -12.225 12.166 260 2HG GLN 35 2HG GLN 35 -0.636 -12.232 11.653 261 1HE2 GLN 35 1HE2 GLN 35 -0.092 -10.499 13.109 262 2HE2 GLN 35 2HE2 GLN 35 -0.588 -8.900 12.827 263 H GLY 36 H GLY 36 -0.122 -13.806 7.874 264 1HA GLY 36 1HA GLY 36 -0.758 -15.107 6.040 265 2HA GLY 36 2HA GLY 36 -2.109 -14.015 5.780 266 H VAL 37 H VAL 37 0.694 -12.270 6.107 267 HA VAL 37 HA VAL 37 0.776 -11.712 3.236 268 HB VAL 37 HB VAL 37 1.899 -10.353 5.726 269 1HG1 VAL 37 1HG1 VAL 37 3.722 -10.248 4.000 270 2HG1 VAL 37 2HG1 VAL 37 2.966 -8.682 4.227 271 3HG1 VAL 37 3HG1 VAL 37 2.554 -9.670 2.826 272 1HG2 VAL 37 1HG2 VAL 37 0.524 -8.517 4.735 273 2HG2 VAL 37 2HG2 VAL 37 -0.437 -9.972 4.988 274 3HG2 VAL 37 3HG2 VAL 37 0.131 -9.549 3.382 275 H GLN 38 H GLN 38 2.214 -12.313 1.879 276 HA GLN 38 HA GLN 38 4.402 -14.099 2.752 277 1HB GLN 38 1HB GLN 38 3.207 -13.504 0.005 278 2HB GLN 38 2HB GLN 38 4.465 -14.694 0.317 279 1HG GLN 38 1HG GLN 38 2.964 -16.001 1.712 280 2HG GLN 38 2HG GLN 38 1.719 -14.757 1.635 281 1HE2 GLN 38 1HE2 GLN 38 1.065 -14.165 -0.718 282 2HE2 GLN 38 2HE2 GLN 38 0.887 -15.464 -1.792 283 H ARG 39 H ARG 39 4.170 -11.860 0.024 284 HA ARG 39 HA ARG 39 6.911 -10.907 0.628 285 1HB ARG 39 1HB ARG 39 5.864 -11.824 -1.661 286 2HB ARG 39 2HB ARG 39 5.387 -10.157 -1.824 287 1HG ARG 39 1HG ARG 39 7.549 -10.507 -2.942 288 2HG ARG 39 2HG ARG 39 7.754 -9.434 -1.574 289 1HD ARG 39 1HD ARG 39 9.491 -11.381 -1.862 290 2HD ARG 39 2HD ARG 39 8.842 -11.120 -0.254 291 HE ARG 39 HE ARG 39 7.840 -13.225 -0.389 292 1HH1 ARG 39 1HH1 ARG 39 8.525 -12.086 -3.595 293 2HH1 ARG 39 2HH1 ARG 39 8.004 -13.560 -4.339 294 1HH2 ARG 39 1HH2 ARG 39 7.187 -15.078 -1.306 295 2HH2 ARG 39 2HH2 ARG 39 7.237 -15.278 -3.024 296 H ILE 40 H ILE 40 7.286 -8.545 0.065 297 HA ILE 40 HA ILE 40 5.054 -6.720 0.575 298 HB ILE 40 HB ILE 40 5.628 -7.425 2.840 299 1HG1 ILE 40 1HG1 ILE 40 6.768 -4.635 2.294 300 2HG1 ILE 40 2HG1 ILE 40 5.069 -5.002 2.487 301 1HG2 ILE 40 1HG2 ILE 40 8.511 -6.598 2.245 302 2HG2 ILE 40 2HG2 ILE 40 7.932 -8.246 2.422 303 3HG2 ILE 40 3HG2 ILE 40 7.913 -7.161 3.791 304 1HD1 ILE 40 1HD1 ILE 40 7.208 -5.376 4.635 305 2HD1 ILE 40 2HD1 ILE 40 5.506 -5.776 4.820 306 3HD1 ILE 40 3HD1 ILE 40 6.004 -4.108 4.585 307 H LYS 41 H LYS 41 5.332 -4.900 -0.525 308 HA LYS 41 HA LYS 41 7.966 -3.689 -0.907 309 1HB LYS 41 1HB LYS 41 7.617 -3.622 -3.460 310 2HB LYS 41 2HB LYS 41 8.180 -5.119 -2.800 311 1HG LYS 41 1HG LYS 41 5.212 -4.645 -3.272 312 2HG LYS 41 2HG LYS 41 6.236 -5.071 -4.614 313 1HD LYS 41 1HD LYS 41 5.835 -6.805 -2.119 314 2HD LYS 41 2HD LYS 41 5.025 -7.019 -3.646 315 1HE LYS 41 1HE LYS 41 6.786 -8.584 -3.699 316 2HE LYS 41 2HE LYS 41 7.306 -7.280 -4.746 317 1HZ LYS 41 1HZ LYS 41 8.971 -6.732 -3.400 318 2HZ LYS 41 2HZ LYS 41 8.788 -8.310 -2.805 319 3HZ LYS 41 3HZ LYS 41 8.082 -7.007 -1.978 320 H VAL 42 H VAL 42 7.138 -2.005 0.144 321 HA VAL 42 HA VAL 42 4.801 -0.559 -0.978 322 HB VAL 42 HB VAL 42 6.323 -0.125 1.637 323 1HG1 VAL 42 1HG1 VAL 42 4.354 1.244 2.281 324 2HG1 VAL 42 2HG1 VAL 42 3.646 0.999 0.693 325 3HG1 VAL 42 3HG1 VAL 42 5.130 1.918 0.864 326 1HG2 VAL 42 1HG2 VAL 42 4.363 -1.197 2.709 327 2HG2 VAL 42 2HG2 VAL 42 5.144 -2.317 1.606 328 3HG2 VAL 42 3HG2 VAL 42 3.657 -1.512 1.131 329 H SER 43 H SER 43 4.935 1.361 -1.848 330 HA SER 43 HA SER 43 7.600 2.383 -2.650 331 1HB SER 43 1HB SER 43 5.674 2.183 -4.294 332 2HB SER 43 2HB SER 43 4.840 3.446 -3.381 333 HG SER 43 HG SER 43 7.490 3.907 -4.075 334 H LEU 44 H LEU 44 7.731 4.821 -2.741 335 HA LEU 44 HA LEU 44 7.395 5.879 0.018 336 1HB LEU 44 1HB LEU 44 9.081 6.794 -2.345 337 2HB LEU 44 2HB LEU 44 8.967 7.702 -0.855 338 HG LEU 44 HG LEU 44 9.841 5.687 0.396 339 1HD1 LEU 44 1HD1 LEU 44 11.038 3.932 -0.895 340 2HD1 LEU 44 2HD1 LEU 44 10.415 4.596 -2.395 341 3HD1 LEU 44 3HD1 LEU 44 9.328 3.867 -1.223 342 1HD2 LEU 44 1HD2 LEU 44 11.622 6.813 -1.803 343 2HD2 LEU 44 2HD2 LEU 44 12.193 6.039 -0.334 344 3HD2 LEU 44 3HD2 LEU 44 11.320 7.557 -0.242 345 H ASP 45 H ASP 45 7.148 8.339 0.013 346 HA ASP 45 HA ASP 45 5.723 10.148 -0.135 347 1HB ASP 45 1HB ASP 45 5.620 9.327 -3.091 348 2HB ASP 45 2HB ASP 45 5.175 10.898 -2.450 349 H ASN 46 H ASN 46 3.982 8.522 -2.711 350 HA ASN 46 HA ASN 46 1.459 8.794 -1.261 351 1HB ASN 46 1HB ASN 46 2.071 7.525 -3.953 352 2HB ASN 46 2HB ASN 46 0.475 7.916 -3.357 353 1HD2 ASN 46 1HD2 ASN 46 3.573 9.419 -4.294 354 2HD2 ASN 46 2HD2 ASN 46 2.915 10.947 -4.636 355 H GLN 47 H GLN 47 3.734 6.759 -0.664 356 HA GLN 47 HA GLN 47 4.002 4.529 -0.122 357 1HB GLN 47 1HB GLN 47 2.911 5.783 1.754 358 2HB GLN 47 2HB GLN 47 1.357 5.207 1.191 359 1HG GLN 47 1HG GLN 47 2.188 2.806 1.559 360 2HG GLN 47 2HG GLN 47 3.672 3.492 2.201 361 1HE2 GLN 47 1HE2 GLN 47 0.169 4.221 2.688 362 2HE2 GLN 47 2HE2 GLN 47 0.250 4.164 4.382 363 H GLU 48 H GLU 48 3.395 4.171 -2.560 364 HA GLU 48 HA GLU 48 0.874 2.792 -3.027 365 1HB GLU 48 1HB GLU 48 2.209 3.924 -4.889 366 2HB GLU 48 2HB GLU 48 3.418 2.660 -4.748 367 1HG GLU 48 1HG GLU 48 1.645 0.932 -5.223 368 2HG GLU 48 2HG GLU 48 0.482 2.225 -5.427 369 H ALA 49 H ALA 49 0.822 1.366 -1.405 370 HA ALA 49 HA ALA 49 2.840 -0.626 -0.883 371 1HB ALA 49 1HB ALA 49 1.098 -1.531 0.665 372 2HB ALA 49 2HB ALA 49 -0.076 -0.438 -0.048 373 3HB ALA 49 3HB ALA 49 1.296 0.202 0.848 374 H THR 50 H THR 50 3.115 -2.580 -1.848 375 HA THR 50 HA THR 50 0.865 -3.738 -3.436 376 HB THR 50 HB THR 50 3.794 -3.439 -4.313 377 HG1 THR 50 HG1 THR 50 2.540 -1.556 -4.340 378 1HG2 THR 50 1HG2 THR 50 2.534 -5.486 -5.356 379 2HG2 THR 50 2HG2 THR 50 2.935 -4.250 -6.531 380 3HG2 THR 50 3HG2 THR 50 1.303 -4.364 -5.898 381 H ILE 51 H ILE 51 1.082 -4.560 -1.053 382 HA ILE 51 HA ILE 51 3.017 -6.607 -0.483 383 HB ILE 51 HB ILE 51 0.283 -5.989 0.701 384 1HG1 ILE 51 1HG1 ILE 51 1.674 -5.317 2.708 385 2HG1 ILE 51 2HG1 ILE 51 3.101 -5.470 1.706 386 1HG2 ILE 51 1HG2 ILE 51 2.343 -7.938 1.731 387 2HG2 ILE 51 2HG2 ILE 51 0.751 -8.372 1.112 388 3HG2 ILE 51 3HG2 ILE 51 0.892 -7.448 2.595 389 1HD1 ILE 51 1HD1 ILE 51 2.253 -3.708 0.201 390 2HD1 ILE 51 2HD1 ILE 51 2.297 -3.142 1.851 391 3HD1 ILE 51 3HD1 ILE 51 0.766 -3.633 1.146 392 H VAL 52 H VAL 52 2.926 -8.808 -0.682 393 HA VAL 52 HA VAL 52 0.787 -9.921 -2.391 394 HB VAL 52 HB VAL 52 3.545 -11.033 -1.741 395 1HG1 VAL 52 1HG1 VAL 52 3.104 -12.532 -3.657 396 2HG1 VAL 52 2HG1 VAL 52 1.508 -11.814 -3.851 397 3HG1 VAL 52 3HG1 VAL 52 1.894 -12.728 -2.399 398 1HG2 VAL 52 1HG2 VAL 52 2.597 -9.521 -4.211 399 2HG2 VAL 52 2HG2 VAL 52 4.174 -10.284 -4.043 400 3HG2 VAL 52 3HG2 VAL 52 3.738 -8.917 -3.026 401 H TYR 53 H TYR 53 -0.315 -11.600 -1.547 402 HA TYR 53 HA TYR 53 0.509 -12.833 0.990 403 1HB TYR 53 1HB TYR 53 -1.534 -12.132 2.224 404 2HB TYR 53 2HB TYR 53 -0.550 -10.751 1.782 405 HD1 TYR 53 HD1 TYR 53 -1.298 -9.321 -0.214 406 HD2 TYR 53 HD2 TYR 53 -3.752 -12.367 1.476 407 HE1 TYR 53 HE1 TYR 53 -3.272 -8.324 -1.270 408 HE2 TYR 53 HE2 TYR 53 -5.717 -11.366 0.419 409 HH TYR 53 HH TYR 53 -5.918 -9.705 -1.890 410 H GLN 54 H GLN 54 -0.937 -14.441 1.772 411 HA GLN 54 HA GLN 54 -2.041 -16.020 -0.442 412 1HB GLN 54 1HB GLN 54 -2.075 -17.834 1.212 413 2HB GLN 54 2HB GLN 54 -0.533 -17.013 1.274 414 1HG GLN 54 1HG GLN 54 -1.801 -15.569 3.184 415 2HG GLN 54 2HG GLN 54 -2.758 -17.030 3.273 416 1HE2 GLN 54 1HE2 GLN 54 0.333 -15.627 3.975 417 2HE2 GLN 54 2HE2 GLN 54 1.005 -16.962 4.769 418 HA PRO 55 HA PRO 55 -5.635 -13.651 0.262 419 1HB PRO 55 1HB PRO 55 -7.432 -14.998 -1.407 420 2HB PRO 55 2HB PRO 55 -6.256 -13.798 -1.923 421 1HG PRO 55 1HG PRO 55 -6.131 -16.771 -2.143 422 2HG PRO 55 2HG PRO 55 -5.425 -15.554 -3.196 423 1HD PRO 55 1HD PRO 55 -3.986 -17.037 -1.310 424 2HD PRO 55 2HD PRO 55 -3.460 -15.470 -1.957 425 H HIS 56 H HIS 56 -5.918 -17.089 0.629 426 HA HIS 56 HA HIS 56 -8.460 -17.272 1.862 427 1HB HIS 56 1HB HIS 56 -7.730 -19.483 2.638 428 2HB HIS 56 2HB HIS 56 -7.151 -19.217 1.003 429 HD1 HIS 56 HD1 HIS 56 -4.749 -19.785 0.793 430 HD2 HIS 56 HD2 HIS 56 -5.509 -18.628 4.649 431 HE1 HIS 56 HE1 HIS 56 -2.628 -20.021 2.030 432 H LEU 57 H LEU 57 -5.529 -16.053 3.218 433 HA LEU 57 HA LEU 57 -6.314 -16.632 5.945 434 1HB LEU 57 1HB LEU 57 -3.896 -15.875 4.643 435 2HB LEU 57 2HB LEU 57 -4.277 -14.507 5.642 436 HG LEU 57 HG LEU 57 -2.922 -15.773 7.057 437 1HD1 LEU 57 1HD1 LEU 57 -5.680 -16.827 7.770 438 2HD1 LEU 57 2HD1 LEU 57 -5.032 -15.259 8.233 439 3HD1 LEU 57 3HD1 LEU 57 -4.291 -16.747 8.821 440 1HD2 LEU 57 1HD2 LEU 57 -2.747 -17.793 5.644 441 2HD2 LEU 57 2HD2 LEU 57 -4.323 -18.324 6.215 442 3HD2 LEU 57 3HD2 LEU 57 -2.986 -18.201 7.332 443 H ILE 58 H ILE 58 -5.874 -13.751 4.022 444 HA ILE 58 HA ILE 58 -8.277 -12.447 4.845 445 HB ILE 58 HB ILE 58 -7.158 -12.225 7.007 446 1HG1 ILE 58 1HG1 ILE 58 -7.086 -9.495 5.645 447 2HG1 ILE 58 2HG1 ILE 58 -8.570 -10.292 6.135 448 1HG2 ILE 58 1HG2 ILE 58 -4.983 -10.983 7.229 449 2HG2 ILE 58 2HG2 ILE 58 -4.905 -10.813 5.485 450 3HG2 ILE 58 3HG2 ILE 58 -4.794 -12.400 6.225 451 1HD1 ILE 58 1HD1 ILE 58 -7.757 -10.288 8.484 452 2HD1 ILE 58 2HD1 ILE 58 -7.831 -8.665 7.814 453 3HD1 ILE 58 3HD1 ILE 58 -6.283 -9.472 7.971 454 H SER 59 H SER 59 -8.423 -10.251 4.086 455 HA SER 59 HA SER 59 -6.873 -9.785 1.582 456 1HB SER 59 1HB SER 59 -8.711 -8.133 1.109 457 2HB SER 59 2HB SER 59 -9.361 -9.749 1.424 458 HG SER 59 HG SER 59 -9.216 -7.518 3.137 459 H VAL 60 H VAL 60 -5.194 -8.535 1.673 460 HA VAL 60 HA VAL 60 -4.557 -6.883 3.904 461 HB VAL 60 HB VAL 60 -3.446 -7.007 1.051 462 1HG1 VAL 60 1HG1 VAL 60 -2.280 -5.535 3.468 463 2HG1 VAL 60 2HG1 VAL 60 -2.908 -4.766 2.023 464 3HG1 VAL 60 3HG1 VAL 60 -1.469 -5.752 1.926 465 1HG2 VAL 60 1HG2 VAL 60 -1.589 -8.237 2.175 466 2HG2 VAL 60 2HG2 VAL 60 -3.122 -9.033 2.488 467 3HG2 VAL 60 3HG2 VAL 60 -2.382 -8.038 3.727 468 H GLU 61 H GLU 61 -6.563 -6.474 1.201 469 HA GLU 61 HA GLU 61 -6.463 -3.654 0.868 470 1HB GLU 61 1HB GLU 61 -7.534 -5.317 -0.722 471 2HB GLU 61 2HB GLU 61 -8.811 -5.577 0.454 472 1HG GLU 61 1HG GLU 61 -9.438 -3.194 0.323 473 2HG GLU 61 2HG GLU 61 -8.120 -2.903 -0.809 474 H GLU 62 H GLU 62 -8.196 -5.774 3.021 475 HA GLU 62 HA GLU 62 -9.914 -3.812 4.234 476 1HB GLU 62 1HB GLU 62 -10.215 -6.304 4.302 477 2HB GLU 62 2HB GLU 62 -8.795 -6.435 5.307 478 1HG GLU 62 1HG GLU 62 -9.926 -5.012 7.060 479 2HG GLU 62 2HG GLU 62 -11.358 -4.946 6.046 480 H MET 63 H MET 63 -6.746 -5.150 4.834 481 HA MET 63 HA MET 63 -6.151 -3.741 7.226 482 1HB MET 63 1HB MET 63 -4.343 -4.986 5.208 483 2HB MET 63 2HB MET 63 -3.839 -4.474 6.801 484 1HG MET 63 1HG MET 63 -5.966 -6.571 6.204 485 2HG MET 63 2HG MET 63 -4.351 -6.908 6.730 486 1HE MET 63 1HE MET 63 -7.750 -5.929 7.327 487 2HE MET 63 2HE MET 63 -7.555 -4.662 8.539 488 3HE MET 63 3HE MET 63 -8.046 -6.298 9.005 489 H LYS 64 H LYS 64 -6.251 -2.825 3.970 490 HA LYS 64 HA LYS 64 -4.473 -0.475 4.334 491 1HB LYS 64 1HB LYS 64 -5.818 -1.753 1.929 492 2HB LYS 64 2HB LYS 64 -5.086 -0.184 1.790 493 1HG LYS 64 1HG LYS 64 -3.654 -2.733 2.672 494 2HG LYS 64 2HG LYS 64 -3.580 -2.073 1.062 495 1HD LYS 64 1HD LYS 64 -2.456 -0.848 3.611 496 2HD LYS 64 2HD LYS 64 -1.556 -1.539 2.294 497 1HE LYS 64 1HE LYS 64 -1.387 0.835 1.995 498 2HE LYS 64 2HE LYS 64 -2.496 0.269 0.761 499 1HZ LYS 64 1HZ LYS 64 -4.080 1.545 1.567 500 2HZ LYS 64 2HZ LYS 64 -2.939 2.234 2.618 501 3HZ LYS 64 3HZ LYS 64 -3.892 0.932 3.138 502 H LYS 65 H LYS 65 -7.759 -1.391 4.482 503 HA LYS 65 HA LYS 65 -8.974 1.021 3.637 504 1HB LYS 65 1HB LYS 65 -10.117 -1.183 3.838 505 2HB LYS 65 2HB LYS 65 -9.936 -1.108 5.573 506 1HG LYS 65 1HG LYS 65 -12.207 -0.432 4.941 507 2HG LYS 65 2HG LYS 65 -11.362 0.908 5.688 508 1HD LYS 65 1HD LYS 65 -10.879 1.864 3.420 509 2HD LYS 65 2HD LYS 65 -11.696 0.501 2.674 510 1HE LYS 65 1HE LYS 65 -13.812 1.171 3.804 511 2HE LYS 65 2HE LYS 65 -12.975 2.514 4.575 512 1HZ LYS 65 1HZ LYS 65 -13.378 2.108 1.672 513 2HZ LYS 65 2HZ LYS 65 -12.430 3.345 2.346 514 3HZ LYS 65 3HZ LYS 65 -14.101 3.292 2.652 515 H GLN 66 H GLN 66 -7.769 -0.052 6.750 516 HA GLN 66 HA GLN 66 -8.869 2.031 8.310 517 1HB GLN 66 1HB GLN 66 -7.110 1.340 9.948 518 2HB GLN 66 2HB GLN 66 -7.912 -0.054 9.263 519 1HG GLN 66 1HG GLN 66 -6.008 -0.261 7.607 520 2HG GLN 66 2HG GLN 66 -5.190 1.045 8.453 521 1HE2 GLN 66 1HE2 GLN 66 -5.647 -2.329 8.409 522 2HE2 GLN 66 2HE2 GLN 66 -4.958 -2.678 9.921 523 H ILE 67 H ILE 67 -5.953 1.788 6.404 524 HA ILE 67 HA ILE 67 -4.680 4.208 7.208 525 HB ILE 67 HB ILE 67 -4.604 2.521 4.681 526 1HG1 ILE 67 1HG1 ILE 67 -2.745 2.759 7.074 527 2HG1 ILE 67 2HG1 ILE 67 -3.885 1.467 6.820 528 1HG2 ILE 67 1HG2 ILE 67 -2.753 4.820 5.417 529 2HG2 ILE 67 2HG2 ILE 67 -3.858 4.744 4.050 530 3HG2 ILE 67 3HG2 ILE 67 -2.473 3.690 4.101 531 1HD1 ILE 67 1HD1 ILE 67 -1.529 2.027 4.983 532 2HD1 ILE 67 2HD1 ILE 67 -2.749 0.789 4.760 533 3HD1 ILE 67 3HD1 ILE 67 -1.668 0.710 6.134 534 H GLU 68 H GLU 68 -7.129 3.365 4.919 535 HA GLU 68 HA GLU 68 -7.345 6.016 3.707 536 1HB GLU 68 1HB GLU 68 -9.140 3.589 3.606 537 2HB GLU 68 2HB GLU 68 -9.322 5.019 2.623 538 1HG GLU 68 1HG GLU 68 -7.111 4.603 1.584 539 2HG GLU 68 2HG GLU 68 -6.789 3.288 2.676 540 H ALA 69 H ALA 69 -8.631 4.447 6.432 541 HA ALA 69 HA ALA 69 -10.987 6.138 6.709 542 1HB ALA 69 1HB ALA 69 -10.907 3.855 7.659 543 2HB ALA 69 2HB ALA 69 -11.184 5.049 8.922 544 3HB ALA 69 3HB ALA 69 -9.591 4.336 8.721 545 H MET 70 H MET 70 -7.700 6.042 7.986 546 HA MET 70 HA MET 70 -8.074 8.188 9.808 547 1HB MET 70 1HB MET 70 -5.629 7.949 10.090 548 2HB MET 70 2HB MET 70 -6.464 6.415 10.183 549 1HG MET 70 1HG MET 70 -5.840 5.877 7.956 550 2HG MET 70 2HG MET 70 -5.038 7.408 7.722 551 1HE MET 70 1HE MET 70 -2.495 6.981 7.250 552 2HE MET 70 2HE MET 70 -1.558 6.839 8.731 553 3HE MET 70 3HE MET 70 -2.808 8.060 8.632 554 H GLY 71 H GLY 71 -7.703 8.080 6.454 555 1HA GLY 71 1HA GLY 71 -8.091 10.328 5.418 556 2HA GLY 71 2HA GLY 71 -6.794 10.937 6.417 557 H PHE 72 H PHE 72 -6.326 7.864 4.872 558 HA PHE 72 HA PHE 72 -4.634 9.175 2.777 559 1HB PHE 72 1HB PHE 72 -4.002 6.708 4.460 560 2HB PHE 72 2HB PHE 72 -3.142 7.153 3.026 561 HD1 PHE 72 HD1 PHE 72 -1.192 8.356 3.330 562 HD2 PHE 72 HD2 PHE 72 -4.308 8.810 6.200 563 HE1 PHE 72 HE1 PHE 72 0.215 9.870 4.609 564 HE2 PHE 72 HE2 PHE 72 -2.906 10.322 7.482 565 HZ PHE 72 HZ PHE 72 -0.651 10.876 6.711 566 HA PRO 73 HA PRO 73 -8.018 6.460 0.980 567 1HB PRO 73 1HB PRO 73 -7.982 8.191 -1.308 568 2HB PRO 73 2HB PRO 73 -9.270 7.939 -0.139 569 1HG PRO 73 1HG PRO 73 -7.402 10.186 -0.350 570 2HG PRO 73 2HG PRO 73 -8.859 10.074 0.626 571 1HD PRO 73 1HD PRO 73 -6.222 10.016 1.626 572 2HD PRO 73 2HD PRO 73 -7.661 9.498 2.518 573 H ALA 74 H ALA 74 -7.513 4.865 -0.263 574 HA ALA 74 HA ALA 74 -4.973 4.950 -1.835 575 1HB ALA 74 1HB ALA 74 -6.277 2.556 -0.478 576 2HB ALA 74 2HB ALA 74 -4.881 3.432 0.130 577 3HB ALA 74 3HB ALA 74 -4.767 2.533 -1.374 578 H PHE 75 H PHE 75 -5.160 4.896 -3.767 579 HA PHE 75 HA PHE 75 -7.629 4.297 -5.193 580 1HB PHE 75 1HB PHE 75 -4.838 5.100 -6.151 581 2HB PHE 75 2HB PHE 75 -6.230 4.966 -7.218 582 HD1 PHE 75 HD1 PHE 75 -4.679 6.938 -4.518 583 HD2 PHE 75 HD2 PHE 75 -8.128 6.547 -6.994 584 HE1 PHE 75 HE1 PHE 75 -5.393 9.186 -3.877 585 HE2 PHE 75 HE2 PHE 75 -8.837 8.802 -6.349 586 HZ PHE 75 HZ PHE 75 -7.474 10.129 -4.791 587 H VAL 76 H VAL 76 -7.795 2.152 -4.487 588 HA VAL 76 HA VAL 76 -5.940 0.138 -5.633 589 HB VAL 76 HB VAL 76 -8.316 -0.295 -3.765 590 1HG1 VAL 76 1HG1 VAL 76 -7.172 -2.457 -3.277 591 2HG1 VAL 76 2HG1 VAL 76 -5.933 -2.069 -4.456 592 3HG1 VAL 76 3HG1 VAL 76 -7.588 -2.336 -4.977 593 1HG2 VAL 76 1HG2 VAL 76 -6.658 1.168 -2.653 594 2HG2 VAL 76 2HG2 VAL 76 -5.381 0.038 -3.046 595 3HG2 VAL 76 3HG2 VAL 76 -6.650 -0.426 -1.928 596 H LYS 77 H LYS 77 -6.496 -1.202 -7.175 597 HA LYS 77 HA LYS 77 -9.173 -1.830 -8.068 598 1HB LYS 77 1HB LYS 77 -8.742 0.555 -9.046 599 2HB LYS 77 2HB LYS 77 -7.413 -0.162 -9.932 600 1HG LYS 77 1HG LYS 77 -9.046 -1.732 -11.057 601 2HG LYS 77 2HG LYS 77 -10.341 -1.022 -10.126 602 1HD LYS 77 1HD LYS 77 -10.453 -0.024 -12.296 603 2HD LYS 77 2HD LYS 77 -9.807 1.208 -11.236 604 1HE LYS 77 1HE LYS 77 -8.064 -0.576 -12.995 605 2HE LYS 77 2HE LYS 77 -8.613 1.023 -13.467 606 1HZ LYS 77 1HZ LYS 77 -7.550 1.515 -11.070 607 2HZ LYS 77 2HZ LYS 77 -6.719 1.667 -12.543 608 3HZ LYS 77 3HZ LYS 77 -6.549 0.256 -11.616 609 H LYS 78 H LYS 78 -7.263 -3.277 -7.077 610 HA LYS 78 HA LYS 78 -5.990 -5.193 -7.322 611 1HB LYS 78 1HB LYS 78 -6.995 -5.101 -10.237 612 2HB LYS 78 2HB LYS 78 -6.234 -6.476 -9.469 613 1HG LYS 78 1HG LYS 78 -8.067 -6.569 -7.786 614 2HG LYS 78 2HG LYS 78 -8.847 -5.199 -8.549 615 1HD LYS 78 1HD LYS 78 -8.298 -7.861 -9.929 616 2HD LYS 78 2HD LYS 78 -9.838 -7.395 -9.240 617 1HE LYS 78 1HE LYS 78 -9.941 -5.444 -10.814 618 2HE LYS 78 2HE LYS 78 -8.430 -5.971 -11.545 619 1HZ LYS 78 1HZ LYS 78 -9.456 -8.050 -12.135 620 2HZ LYS 78 2HZ LYS 78 -10.326 -6.741 -12.783 621 3HZ LYS 78 3HZ LYS 78 -10.918 -7.563 -11.419 622 H GLN 79 H GLN 79 -5.494 -4.084 -10.640 623 HA GLN 79 HA GLN 79 -2.745 -3.142 -9.941 624 1HB GLN 79 1HB GLN 79 -3.581 -4.977 -12.222 625 2HB GLN 79 2HB GLN 79 -1.994 -4.240 -12.117 626 1HG GLN 79 1HG GLN 79 -3.201 -6.151 -10.053 627 2HG GLN 79 2HG GLN 79 -1.990 -6.582 -11.248 628 1HE2 GLN 79 1HE2 GLN 79 -0.025 -4.824 -11.170 629 2HE2 GLN 79 2HE2 GLN 79 0.574 -4.554 -9.605 630 HA PRO 80 HA PRO 80 -4.676 0.225 -12.464 631 1HB PRO 80 1HB PRO 80 -3.389 1.984 -10.512 632 2HB PRO 80 2HB PRO 80 -5.087 1.855 -10.911 633 1HG PRO 80 1HG PRO 80 -3.809 0.954 -8.533 634 2HG PRO 80 2HG PRO 80 -5.484 0.710 -8.989 635 1HD PRO 80 1HD PRO 80 -3.321 -1.258 -8.958 636 2HD PRO 80 2HD PRO 80 -5.046 -1.514 -9.225 637 H LYS 81 H LYS 81 -3.077 -0.884 -13.781 638 HA LYS 81 HA LYS 81 -0.647 0.738 -14.185 639 1HB LYS 81 1HB LYS 81 -0.510 -2.312 -13.977 640 2HB LYS 81 2HB LYS 81 0.833 -1.239 -14.324 641 1HG LYS 81 1HG LYS 81 0.495 -0.179 -12.052 642 2HG LYS 81 2HG LYS 81 -0.742 -1.389 -11.731 643 1HD LYS 81 1HD LYS 81 0.930 -3.200 -12.063 644 2HD LYS 81 2HD LYS 81 2.175 -1.993 -12.332 645 1HE LYS 81 1HE LYS 81 0.541 -2.284 -9.772 646 2HE LYS 81 2HE LYS 81 2.214 -2.778 -9.976 647 1HZ LYS 81 1HZ LYS 81 2.297 -0.699 -8.973 648 2HZ LYS 81 2HZ LYS 81 1.107 -0.045 -9.991 649 3HZ LYS 81 3HZ LYS 81 2.651 -0.393 -10.607 650 H TYR 82 H TYR 82 -2.890 -1.703 -15.186 651 HA TYR 82 HA TYR 82 -2.016 -2.092 -17.877 652 1HB TYR 82 1HB TYR 82 -4.863 -2.327 -16.822 653 2HB TYR 82 2HB TYR 82 -4.196 -3.151 -18.220 654 HD1 TYR 82 HD1 TYR 82 -5.440 -4.102 -15.395 655 HD2 TYR 82 HD2 TYR 82 -1.527 -4.069 -17.086 656 HE1 TYR 82 HE1 TYR 82 -4.799 -5.974 -13.963 657 HE2 TYR 82 HE2 TYR 82 -0.895 -5.939 -15.648 658 HH TYR 82 HH TYR 82 -3.183 -7.750 -13.862 659 H LEU 83 H LEU 83 -3.397 -1.600 -19.760 660 HA LEU 83 HA LEU 83 -4.849 0.940 -19.788 661 1HB LEU 83 1HB LEU 83 -3.231 1.937 -21.514 662 2HB LEU 83 2HB LEU 83 -2.629 1.852 -19.880 663 HG LEU 83 HG LEU 83 -1.385 -0.281 -20.496 664 1HD1 LEU 83 1HD1 LEU 83 -2.160 0.482 -23.343 665 2HD1 LEU 83 2HD1 LEU 83 -2.672 -0.982 -22.519 666 3HD1 LEU 83 3HD1 LEU 83 -0.988 -0.745 -22.901 667 1HD2 LEU 83 1HD2 LEU 83 0.406 0.919 -21.723 668 2HD2 LEU 83 2HD2 LEU 83 -0.256 1.911 -20.435 669 3HD2 LEU 83 3HD2 LEU 83 -0.718 2.215 -22.103 670 H LYS 84 H LYS 84 -5.047 1.515 -22.352 671 HA LYS 84 HA LYS 84 -6.667 -0.612 -23.388 672 1HB LYS 84 1HB LYS 84 -7.254 1.712 -23.801 673 2HB LYS 84 2HB LYS 84 -5.717 2.032 -24.560 674 1HG LYS 84 1HG LYS 84 -7.393 1.901 -26.284 675 2HG LYS 84 2HG LYS 84 -6.358 0.514 -26.460 676 1HD LYS 84 1HD LYS 84 -8.989 0.344 -24.939 677 2HD LYS 84 2HD LYS 84 -8.948 0.206 -26.679 678 1HE LYS 84 1HE LYS 84 -7.611 -1.709 -24.702 679 2HE LYS 84 2HE LYS 84 -8.956 -2.019 -25.765 680 1HZ LYS 84 1HZ LYS 84 -6.161 -1.501 -26.546 681 2HZ LYS 84 2HZ LYS 84 -7.453 -1.497 -27.649 682 3HZ LYS 84 3HZ LYS 84 -7.076 -2.911 -26.785 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -2.830 -23.953 -19.567 2 2H GLY 1 2H GLY 1 -2.363 -23.332 -21.077 3 3H GLY 1 3H GLY 1 -3.929 -23.953 -20.861 4 1HA GLY 1 1HA GLY 1 -4.093 -21.600 -20.850 5 2HA GLY 1 2HA GLY 1 -4.350 -22.184 -19.203 6 H SER 2 H SER 2 -3.398 -20.844 -17.829 7 HA SER 2 HA SER 2 -0.535 -20.279 -17.979 8 1HB SER 2 1HB SER 2 -0.840 -17.757 -17.946 9 2HB SER 2 2HB SER 2 -1.480 -18.448 -19.443 10 HG SER 2 HG SER 2 -2.910 -17.835 -17.076 11 H MET 3 H MET 3 0.122 -18.847 -16.125 12 HA MET 3 HA MET 3 -0.983 -19.941 -13.664 13 1HB MET 3 1HB MET 3 1.159 -17.823 -14.140 14 2HB MET 3 2HB MET 3 0.798 -18.530 -12.578 15 1HG MET 3 1HG MET 3 2.718 -19.651 -13.563 16 2HG MET 3 2HG MET 3 1.386 -20.756 -13.415 17 1HE MET 3 1HE MET 3 4.034 -19.192 -15.601 18 2HE MET 3 2HE MET 3 2.682 -18.136 -16.076 19 3HE MET 3 3HE MET 3 3.377 -19.263 -17.226 20 H ALA 4 H ALA 4 -1.568 -18.558 -11.833 21 HA ALA 4 HA ALA 4 -2.589 -15.865 -12.348 22 1HB ALA 4 1HB ALA 4 -4.426 -17.274 -13.269 23 2HB ALA 4 2HB ALA 4 -4.959 -16.448 -11.813 24 3HB ALA 4 3HB ALA 4 -4.526 -18.150 -11.750 25 H GLN 5 H GLN 5 -2.620 -18.658 -10.207 26 HA GLN 5 HA GLN 5 -1.719 -17.031 -7.936 27 1HB GLN 5 1HB GLN 5 -4.223 -16.759 -7.925 28 2HB GLN 5 2HB GLN 5 -4.405 -18.499 -7.852 29 1HG GLN 5 1HG GLN 5 -3.179 -18.511 -5.648 30 2HG GLN 5 2HG GLN 5 -3.048 -16.759 -5.738 31 1HE2 GLN 5 1HE2 GLN 5 -5.161 -15.534 -5.837 32 2HE2 GLN 5 2HE2 GLN 5 -6.517 -16.200 -5.063 33 H ALA 6 H ALA 6 0.063 -18.337 -7.998 34 HA ALA 6 HA ALA 6 -0.027 -21.230 -8.003 35 1HB ALA 6 1HB ALA 6 1.933 -19.975 -8.837 36 2HB ALA 6 2HB ALA 6 2.412 -21.042 -7.525 37 3HB ALA 6 3HB ALA 6 2.214 -19.321 -7.230 38 H GLY 7 H GLY 7 -0.036 -18.785 -5.567 39 1HA GLY 7 1HA GLY 7 -1.030 -20.407 -3.477 40 2HA GLY 7 2HA GLY 7 0.722 -20.323 -3.279 41 H GLU 8 H GLU 8 0.175 -17.562 -4.723 42 HA GLU 8 HA GLU 8 -0.856 -15.973 -2.459 43 1HB GLU 8 1HB GLU 8 1.204 -14.574 -2.427 44 2HB GLU 8 2HB GLU 8 1.519 -16.250 -2.004 45 1HG GLU 8 1HG GLU 8 2.347 -16.715 -4.296 46 2HG GLU 8 2HG GLU 8 1.996 -15.061 -4.769 47 H VAL 9 H VAL 9 -0.699 -13.631 -3.042 48 HA VAL 9 HA VAL 9 -1.306 -13.102 -5.905 49 HB VAL 9 HB VAL 9 -3.273 -11.708 -5.153 50 1HG1 VAL 9 1HG1 VAL 9 -4.775 -13.619 -4.682 51 2HG1 VAL 9 2HG1 VAL 9 -3.394 -14.633 -4.307 52 3HG1 VAL 9 3HG1 VAL 9 -3.622 -14.027 -5.939 53 1HG2 VAL 9 1HG2 VAL 9 -4.165 -12.014 -2.830 54 2HG2 VAL 9 2HG2 VAL 9 -2.555 -11.346 -2.718 55 3HG2 VAL 9 3HG2 VAL 9 -2.825 -13.052 -2.426 56 H VAL 10 H VAL 10 -0.414 -11.318 -6.670 57 HA VAL 10 HA VAL 10 0.978 -9.462 -4.784 58 HB VAL 10 HB VAL 10 2.462 -8.927 -6.710 59 1HG1 VAL 10 1HG1 VAL 10 3.107 -10.840 -5.295 60 2HG1 VAL 10 2HG1 VAL 10 3.575 -11.139 -6.952 61 3HG1 VAL 10 3HG1 VAL 10 2.155 -11.929 -6.288 62 1HG2 VAL 10 1HG2 VAL 10 0.942 -9.239 -8.652 63 2HG2 VAL 10 2HG2 VAL 10 0.849 -10.960 -8.310 64 3HG2 VAL 10 3HG2 VAL 10 2.362 -10.230 -8.818 65 H LEU 11 H LEU 11 -0.265 -7.767 -4.361 66 HA LEU 11 HA LEU 11 -1.726 -6.416 -6.608 67 1HB LEU 11 1HB LEU 11 -2.494 -6.548 -3.659 68 2HB LEU 11 2HB LEU 11 -3.318 -5.573 -4.847 69 HG LEU 11 HG LEU 11 -4.672 -7.494 -4.549 70 1HD1 LEU 11 1HD1 LEU 11 -4.405 -6.891 -6.942 71 2HD1 LEU 11 2HD1 LEU 11 -4.681 -8.614 -6.749 72 3HD1 LEU 11 3HD1 LEU 11 -3.073 -8.017 -7.090 73 1HD2 LEU 11 1HD2 LEU 11 -2.269 -9.306 -4.954 74 2HD2 LEU 11 2HD2 LEU 11 -3.929 -9.794 -4.692 75 3HD2 LEU 11 3HD2 LEU 11 -3.050 -8.961 -3.426 76 H LYS 12 H LYS 12 -1.914 -4.182 -6.505 77 HA LYS 12 HA LYS 12 0.128 -2.754 -4.846 78 1HB LYS 12 1HB LYS 12 0.968 -3.141 -7.138 79 2HB LYS 12 2HB LYS 12 -0.440 -2.311 -7.778 80 1HG LYS 12 1HG LYS 12 0.219 -0.212 -6.883 81 2HG LYS 12 2HG LYS 12 1.291 -0.922 -5.703 82 1HD LYS 12 1HD LYS 12 2.722 -0.008 -7.351 83 2HD LYS 12 2HD LYS 12 2.717 -1.726 -7.656 84 1HE LYS 12 1HE LYS 12 0.940 0.235 -9.174 85 2HE LYS 12 2HE LYS 12 2.492 -0.335 -9.765 86 1HZ LYS 12 1HZ LYS 12 1.303 -2.638 -9.189 87 2HZ LYS 12 2HZ LYS 12 1.237 -1.889 -10.713 88 3HZ LYS 12 3HZ LYS 12 -0.046 -1.700 -9.617 89 H MET 13 H MET 13 -1.000 -1.598 -3.526 90 HA MET 13 HA MET 13 -3.530 -0.268 -4.262 91 1HB MET 13 1HB MET 13 -1.947 -0.380 -1.664 92 2HB MET 13 2HB MET 13 -3.542 0.317 -1.820 93 1HG MET 13 1HG MET 13 -3.719 -1.950 -0.925 94 2HG MET 13 2HG MET 13 -4.455 -1.867 -2.492 95 1HE MET 13 1HE MET 13 -0.847 -4.325 -1.228 96 2HE MET 13 2HE MET 13 -1.970 -3.479 -0.185 97 3HE MET 13 3HE MET 13 -0.758 -2.573 -1.123 98 H LYS 14 H LYS 14 -3.723 1.983 -4.281 99 HA LYS 14 HA LYS 14 -1.175 3.521 -4.350 100 1HB LYS 14 1HB LYS 14 -2.159 3.150 -6.542 101 2HB LYS 14 2HB LYS 14 -3.663 3.787 -5.962 102 1HG LYS 14 1HG LYS 14 -2.616 5.563 -7.250 103 2HG LYS 14 2HG LYS 14 -2.609 6.050 -5.581 104 1HD LYS 14 1HD LYS 14 -0.459 6.615 -6.447 105 2HD LYS 14 2HD LYS 14 -0.204 5.216 -5.425 106 1HE LYS 14 1HE LYS 14 -0.127 3.736 -7.371 107 2HE LYS 14 2HE LYS 14 -0.606 5.044 -8.445 108 1HZ LYS 14 1HZ LYS 14 1.727 4.744 -8.579 109 2HZ LYS 14 2HZ LYS 14 1.906 4.851 -6.897 110 3HZ LYS 14 3HZ LYS 14 1.432 6.217 -7.786 111 H VAL 15 H VAL 15 -1.331 4.198 -2.184 112 HA VAL 15 HA VAL 15 -3.662 5.560 -1.189 113 HB VAL 15 HB VAL 15 -0.910 4.827 -0.215 114 1HG1 VAL 15 1HG1 VAL 15 -1.017 6.301 1.765 115 2HG1 VAL 15 2HG1 VAL 15 -2.447 7.089 1.107 116 3HG1 VAL 15 3HG1 VAL 15 -0.892 7.271 0.309 117 1HG2 VAL 15 1HG2 VAL 15 -2.963 3.565 0.442 118 2HG2 VAL 15 2HG2 VAL 15 -3.588 5.028 1.203 119 3HG2 VAL 15 3HG2 VAL 15 -2.138 4.267 1.827 120 H GLU 16 H GLU 16 -3.516 7.722 -0.305 121 HA GLU 16 HA GLU 16 -2.328 9.674 -2.235 122 1HB GLU 16 1HB GLU 16 -4.858 9.649 -2.077 123 2HB GLU 16 2HB GLU 16 -4.733 9.922 -0.348 124 1HG GLU 16 1HG GLU 16 -3.482 12.050 -0.809 125 2HG GLU 16 2HG GLU 16 -3.673 11.766 -2.532 126 H GLY 17 H GLY 17 -0.472 10.229 -1.294 127 1HA GLY 17 1HA GLY 17 0.220 9.958 1.429 128 2HA GLY 17 2HA GLY 17 1.138 10.852 0.246 129 H MET 18 H MET 18 -1.955 12.098 0.398 130 HA MET 18 HA MET 18 -2.842 14.071 1.147 131 1HB MET 18 1HB MET 18 -2.783 12.686 3.237 132 2HB MET 18 2HB MET 18 -1.230 13.353 3.666 133 1HG MET 18 1HG MET 18 -2.441 15.678 3.468 134 2HG MET 18 2HG MET 18 -3.901 14.738 3.528 135 1HE MET 18 1HE MET 18 -3.578 12.966 6.930 136 2HE MET 18 2HE MET 18 -3.551 12.566 5.233 137 3HE MET 18 3HE MET 18 -4.860 13.580 5.870 138 H THR 19 H THR 19 -0.433 14.951 3.295 139 HA THR 19 HA THR 19 1.639 16.156 1.878 140 HB THR 19 HB THR 19 0.003 17.666 0.737 141 HG1 THR 19 HG1 THR 19 1.025 19.046 2.976 142 1HG2 THR 19 1HG2 THR 19 -1.909 17.383 2.368 143 2HG2 THR 19 2HG2 THR 19 -1.573 19.066 2.027 144 3HG2 THR 19 3HG2 THR 19 -1.027 18.351 3.541 145 H CYS 20 H CYS 20 2.591 17.947 3.354 146 HA CYS 20 HA CYS 20 3.429 18.629 5.400 147 1HB CYS 20 1HB CYS 20 1.063 19.224 5.896 148 2HB CYS 20 2HB CYS 20 0.758 17.625 6.508 149 H HIS 21 H HIS 21 1.555 15.769 6.493 150 HA HIS 21 HA HIS 21 4.131 14.356 7.014 151 1HB HIS 21 1HB HIS 21 3.299 15.413 9.150 152 2HB HIS 21 2HB HIS 21 1.783 14.543 8.970 153 HD1 HIS 21 HD1 HIS 21 2.312 13.155 11.106 154 HD2 HIS 21 HD2 HIS 21 5.115 12.590 8.192 155 HE1 HIS 21 HE1 HIS 21 3.646 11.198 11.791 156 H SER 22 H SER 22 4.097 12.323 6.396 157 HA SER 22 HA SER 22 1.769 11.256 4.998 158 1HB SER 22 1HB SER 22 4.143 10.962 4.174 159 2HB SER 22 2HB SER 22 4.439 9.889 5.555 160 HG SER 22 HG SER 22 2.242 9.561 3.813 161 H CYS 23 H CYS 23 3.464 10.610 7.999 162 HA CYS 23 HA CYS 23 2.950 9.314 9.849 163 1HB CYS 23 1HB CYS 23 0.105 9.360 8.777 164 2HB CYS 23 2HB CYS 23 0.598 9.053 10.414 165 H THR 24 H THR 24 2.923 8.020 6.873 166 HA THR 24 HA THR 24 1.668 5.466 7.366 167 HB THR 24 HB THR 24 2.762 4.825 5.159 168 HG1 THR 24 HG1 THR 24 4.639 6.021 5.497 169 1HG2 THR 24 1HG2 THR 24 1.711 6.600 3.727 170 2HG2 THR 24 2HG2 THR 24 1.592 7.672 5.096 171 3HG2 THR 24 3HG2 THR 24 0.606 6.234 5.036 172 H SER 25 H SER 25 4.540 6.677 8.487 173 HA SER 25 HA SER 25 6.351 4.505 8.235 174 1HB SER 25 1HB SER 25 7.435 5.517 10.308 175 2HB SER 25 2HB SER 25 7.016 6.759 9.119 176 HG SER 25 HG SER 25 4.899 6.754 10.287 177 H THR 26 H THR 26 3.798 5.158 10.512 178 HA THR 26 HA THR 26 4.253 2.935 12.261 179 HB THR 26 HB THR 26 1.925 3.556 13.144 180 HG1 THR 26 HG1 THR 26 1.151 4.054 11.037 181 1HG2 THR 26 1HG2 THR 26 3.945 5.017 13.806 182 2HG2 THR 26 2HG2 THR 26 2.438 5.914 13.727 183 3HG2 THR 26 3HG2 THR 26 3.601 6.035 12.418 184 H ILE 27 H ILE 27 2.309 3.441 9.410 185 HA ILE 27 HA ILE 27 0.654 1.144 9.510 186 HB ILE 27 HB ILE 27 1.780 2.634 7.087 187 1HG1 ILE 27 1HG1 ILE 27 -0.878 2.931 8.560 188 2HG1 ILE 27 2HG1 ILE 27 0.460 4.050 8.693 189 1HG2 ILE 27 1HG2 ILE 27 0.956 0.399 6.470 190 2HG2 ILE 27 2HG2 ILE 27 -0.103 1.624 5.830 191 3HG2 ILE 27 3HG2 ILE 27 -0.577 0.718 7.263 192 1HD1 ILE 27 1HD1 ILE 27 -1.189 4.906 7.071 193 2HD1 ILE 27 2HD1 ILE 27 -1.060 3.442 6.119 194 3HD1 ILE 27 3HD1 ILE 27 0.304 4.513 6.234 195 H GLU 28 H GLU 28 3.774 1.612 7.943 196 HA GLU 28 HA GLU 28 4.275 -0.713 6.646 197 1HB GLU 28 1HB GLU 28 5.683 1.405 7.035 198 2HB GLU 28 2HB GLU 28 6.294 0.633 8.460 199 1HG GLU 28 1HG GLU 28 6.499 -0.522 5.662 200 2HG GLU 28 2HG GLU 28 7.793 0.306 6.510 201 H GLY 29 H GLY 29 5.252 -0.220 9.957 202 1HA GLY 29 1HA GLY 29 6.099 -2.871 10.534 203 2HA GLY 29 2HA GLY 29 5.660 -1.673 11.742 204 H LYS 30 H LYS 30 2.949 -1.401 10.748 205 HA LYS 30 HA LYS 30 1.754 -3.560 12.300 206 1HB LYS 30 1HB LYS 30 0.857 -1.159 12.125 207 2HB LYS 30 2HB LYS 30 0.272 -1.571 10.523 208 1HG LYS 30 1HG LYS 30 -1.057 -3.448 11.481 209 2HG LYS 30 2HG LYS 30 -0.448 -3.074 13.083 210 1HD LYS 30 1HD LYS 30 -1.491 -0.779 12.876 211 2HD LYS 30 2HD LYS 30 -2.193 -1.279 11.346 212 1HE LYS 30 1HE LYS 30 -2.698 -2.586 14.063 213 2HE LYS 30 2HE LYS 30 -3.839 -1.598 13.164 214 1HZ LYS 30 1HZ LYS 30 -3.172 -3.474 11.363 215 2HZ LYS 30 2HZ LYS 30 -4.540 -3.528 12.368 216 3HZ LYS 30 3HZ LYS 30 -3.125 -4.357 12.812 217 H ILE 31 H ILE 31 2.072 -2.801 8.903 218 HA ILE 31 HA ILE 31 0.336 -4.869 7.930 219 HB ILE 31 HB ILE 31 2.548 -3.217 6.631 220 1HG1 ILE 31 1HG1 ILE 31 -0.504 -3.180 6.436 221 2HG1 ILE 31 2HG1 ILE 31 0.461 -2.019 7.312 222 1HG2 ILE 31 1HG2 ILE 31 0.606 -5.103 5.214 223 2HG2 ILE 31 2HG2 ILE 31 2.319 -5.425 5.414 224 3HG2 ILE 31 3HG2 ILE 31 1.808 -4.056 4.470 225 1HD1 ILE 31 1HD1 ILE 31 0.507 -2.441 4.288 226 2HD1 ILE 31 2HD1 ILE 31 1.533 -1.309 5.157 227 3HD1 ILE 31 3HD1 ILE 31 -0.211 -1.092 5.136 228 H GLY 32 H GLY 32 3.700 -4.676 8.805 229 1HA GLY 32 1HA GLY 32 4.549 -7.144 7.647 230 2HA GLY 32 2HA GLY 32 5.417 -6.228 8.873 231 H LYS 33 H LYS 33 2.803 -6.284 10.412 232 HA LYS 33 HA LYS 33 3.393 -8.642 11.970 233 1HB LYS 33 1HB LYS 33 2.994 -6.422 12.979 234 2HB LYS 33 2HB LYS 33 1.363 -6.494 12.363 235 1HG LYS 33 1HG LYS 33 1.432 -7.058 14.763 236 2HG LYS 33 2HG LYS 33 0.778 -8.360 13.812 237 1HD LYS 33 1HD LYS 33 2.272 -9.312 15.447 238 2HD LYS 33 2HD LYS 33 3.060 -9.485 13.899 239 1HE LYS 33 1HE LYS 33 3.654 -7.219 15.860 240 2HE LYS 33 2HE LYS 33 4.591 -8.700 15.762 241 1HZ LYS 33 1HZ LYS 33 4.574 -7.884 13.209 242 2HZ LYS 33 2HZ LYS 33 5.808 -7.564 14.329 243 3HZ LYS 33 3HZ LYS 33 4.603 -6.403 14.042 244 H LEU 34 H LEU 34 1.378 -7.983 9.411 245 HA LEU 34 HA LEU 34 -0.944 -9.414 10.091 246 1HB LEU 34 1HB LEU 34 0.286 -8.731 7.428 247 2HB LEU 34 2HB LEU 34 -1.326 -9.372 7.610 248 HG LEU 34 HG LEU 34 -0.366 -6.742 8.823 249 1HD1 LEU 34 1HD1 LEU 34 -2.145 -7.305 6.402 250 2HD1 LEU 34 2HD1 LEU 34 -0.497 -6.704 6.327 251 3HD1 LEU 34 3HD1 LEU 34 -1.758 -5.714 7.034 252 1HD2 LEU 34 1HD2 LEU 34 -2.781 -6.340 9.254 253 2HD2 LEU 34 2HD2 LEU 34 -2.257 -7.777 10.103 254 3HD2 LEU 34 3HD2 LEU 34 -3.175 -7.927 8.614 255 H GLN 35 H GLN 35 -1.419 -11.492 10.060 256 HA GLN 35 HA GLN 35 0.618 -13.459 9.427 257 1HB GLN 35 1HB GLN 35 -2.207 -13.659 10.538 258 2HB GLN 35 2HB GLN 35 -1.268 -15.084 10.155 259 1HG GLN 35 1HG GLN 35 -1.013 -14.610 12.526 260 2HG GLN 35 2HG GLN 35 0.521 -14.321 11.731 261 1HE2 GLN 35 1HE2 GLN 35 1.315 -12.800 13.235 262 2HE2 GLN 35 2HE2 GLN 35 0.611 -11.275 13.480 263 H GLY 36 H GLY 36 0.613 -14.836 7.723 264 1HA GLY 36 1HA GLY 36 -0.221 -16.007 5.857 265 2HA GLY 36 2HA GLY 36 -1.658 -15.008 5.900 266 H VAL 37 H VAL 37 0.845 -12.925 6.186 267 HA VAL 37 HA VAL 37 0.669 -12.099 3.387 268 HB VAL 37 HB VAL 37 1.892 -10.882 5.916 269 1HG1 VAL 37 1HG1 VAL 37 3.387 -10.296 3.972 270 2HG1 VAL 37 2HG1 VAL 37 2.493 -8.909 4.564 271 3HG1 VAL 37 3HG1 VAL 37 1.974 -9.722 3.093 272 1HG2 VAL 37 1HG2 VAL 37 0.175 -9.158 5.396 273 2HG2 VAL 37 2HG2 VAL 37 -0.562 -10.751 5.549 274 3HG2 VAL 37 3HG2 VAL 37 -0.289 -10.048 3.963 275 H GLN 38 H GLN 38 2.346 -12.006 1.940 276 HA GLN 38 HA GLN 38 4.607 -13.843 2.478 277 1HB GLN 38 1HB GLN 38 3.540 -12.642 -0.150 278 2HB GLN 38 2HB GLN 38 4.822 -13.829 -0.035 279 1HG GLN 38 1HG GLN 38 1.928 -14.208 0.860 280 2HG GLN 38 2HG GLN 38 2.609 -14.804 -0.638 281 1HE2 GLN 38 1HE2 GLN 38 2.787 -15.113 2.873 282 2HE2 GLN 38 2HE2 GLN 38 3.474 -16.670 2.894 283 H ARG 39 H ARG 39 4.457 -11.200 0.285 284 HA ARG 39 HA ARG 39 6.934 -10.014 1.433 285 1HB ARG 39 1HB ARG 39 6.821 -10.630 -1.054 286 2HB ARG 39 2HB ARG 39 5.603 -9.390 -1.241 287 1HG ARG 39 1HG ARG 39 7.777 -8.564 -1.954 288 2HG ARG 39 2HG ARG 39 7.140 -7.611 -0.644 289 1HD ARG 39 1HD ARG 39 9.573 -8.097 -0.323 290 2HD ARG 39 2HD ARG 39 8.645 -8.847 0.960 291 HE ARG 39 HE ARG 39 9.243 -10.954 0.120 292 1HH1 ARG 39 1HH1 ARG 39 9.867 -8.489 -2.239 293 2HH1 ARG 39 2HH1 ARG 39 10.700 -9.567 -3.306 294 1HH2 ARG 39 1HH2 ARG 39 10.291 -12.331 -1.216 295 2HH2 ARG 39 2HH2 ARG 39 10.945 -11.774 -2.720 296 H ILE 40 H ILE 40 7.092 -7.666 1.359 297 HA ILE 40 HA ILE 40 4.648 -6.076 1.599 298 HB ILE 40 HB ILE 40 4.853 -7.032 3.857 299 1HG1 ILE 40 1HG1 ILE 40 5.781 -4.131 3.720 300 2HG1 ILE 40 2HG1 ILE 40 4.131 -4.703 3.684 301 1HG2 ILE 40 1HG2 ILE 40 7.245 -7.683 3.829 302 2HG2 ILE 40 2HG2 ILE 40 6.857 -6.793 5.280 303 3HG2 ILE 40 3HG2 ILE 40 7.731 -6.005 3.990 304 1HD1 ILE 40 1HD1 ILE 40 4.365 -5.602 5.984 305 2HD1 ILE 40 2HD1 ILE 40 4.684 -3.876 5.932 306 3HD1 ILE 40 3HD1 ILE 40 6.014 -5.009 6.060 307 H LYS 41 H LYS 41 5.236 -4.536 0.170 308 HA LYS 41 HA LYS 41 7.690 -2.997 0.653 309 1HB LYS 41 1HB LYS 41 8.384 -3.313 -1.785 310 2HB LYS 41 2HB LYS 41 8.585 -4.723 -0.764 311 1HG LYS 41 1HG LYS 41 6.307 -5.552 -1.602 312 2HG LYS 41 2HG LYS 41 6.312 -4.208 -2.733 313 1HD LYS 41 1HD LYS 41 8.385 -5.021 -3.743 314 2HD LYS 41 2HD LYS 41 8.480 -6.317 -2.559 315 1HE LYS 41 1HE LYS 41 7.524 -7.165 -4.689 316 2HE LYS 41 2HE LYS 41 6.325 -7.252 -3.408 317 1HZ LYS 41 1HZ LYS 41 5.350 -5.221 -4.187 318 2HZ LYS 41 2HZ LYS 41 5.428 -6.344 -5.457 319 3HZ LYS 41 3HZ LYS 41 6.539 -5.061 -5.389 320 H VAL 42 H VAL 42 7.288 -0.970 0.402 321 HA VAL 42 HA VAL 42 4.910 -0.096 -1.165 322 HB VAL 42 HB VAL 42 6.422 1.308 1.089 323 1HG1 VAL 42 1HG1 VAL 42 4.533 2.903 1.091 324 2HG1 VAL 42 2HG1 VAL 42 3.812 2.099 -0.293 325 3HG1 VAL 42 3HG1 VAL 42 5.344 2.947 -0.447 326 1HG2 VAL 42 1HG2 VAL 42 5.144 -0.665 1.892 327 2HG2 VAL 42 2HG2 VAL 42 3.695 -0.065 1.105 328 3HG2 VAL 42 3HG2 VAL 42 4.397 0.819 2.448 329 H SER 43 H SER 43 5.023 1.787 -2.336 330 HA SER 43 HA SER 43 7.723 2.428 -3.475 331 1HB SER 43 1HB SER 43 6.318 1.252 -5.119 332 2HB SER 43 2HB SER 43 4.990 2.377 -4.860 333 HG SER 43 HG SER 43 6.292 4.038 -5.588 334 H LEU 44 H LEU 44 8.200 4.512 -3.863 335 HA LEU 44 HA LEU 44 7.278 6.501 -2.087 336 1HB LEU 44 1HB LEU 44 8.978 6.623 -4.589 337 2HB LEU 44 2HB LEU 44 8.650 8.055 -3.641 338 HG LEU 44 HG LEU 44 9.643 6.938 -1.623 339 1HD1 LEU 44 1HD1 LEU 44 10.460 4.742 -3.577 340 2HD1 LEU 44 2HD1 LEU 44 9.368 4.541 -2.214 341 3HD1 LEU 44 3HD1 LEU 44 11.049 4.911 -1.933 342 1HD2 LEU 44 1HD2 LEU 44 11.997 7.142 -2.395 343 2HD2 LEU 44 2HD2 LEU 44 11.003 8.439 -3.033 344 3HD2 LEU 44 3HD2 LEU 44 11.457 7.091 -4.066 345 H ASP 45 H ASP 45 5.678 5.574 -4.903 346 HA ASP 45 HA ASP 45 4.678 8.217 -5.661 347 1HB ASP 45 1HB ASP 45 3.654 5.439 -6.383 348 2HB ASP 45 2HB ASP 45 3.213 6.932 -7.196 349 H ASN 46 H ASN 46 4.030 8.813 -3.473 350 HA ASN 46 HA ASN 46 2.487 9.140 -1.754 351 1HB ASN 46 1HB ASN 46 0.627 8.459 -4.097 352 2HB ASN 46 2HB ASN 46 0.061 9.101 -2.569 353 1HD2 ASN 46 1HD2 ASN 46 0.316 11.326 -2.171 354 2HD2 ASN 46 2HD2 ASN 46 1.024 12.399 -3.280 355 H GLN 47 H GLN 47 3.574 7.103 -1.005 356 HA GLN 47 HA GLN 47 3.582 4.973 -0.131 357 1HB GLN 47 1HB GLN 47 2.240 6.526 1.369 358 2HB GLN 47 2HB GLN 47 0.806 5.948 0.576 359 1HG GLN 47 1HG GLN 47 0.960 4.743 2.672 360 2HG GLN 47 2HG GLN 47 1.355 3.586 1.425 361 1HE2 GLN 47 1HE2 GLN 47 3.837 5.965 2.197 362 2HE2 GLN 47 2HE2 GLN 47 4.823 4.898 3.073 363 H GLU 48 H GLU 48 3.223 4.690 -2.665 364 HA GLU 48 HA GLU 48 0.831 3.176 -3.415 365 1HB GLU 48 1HB GLU 48 1.986 4.362 -5.159 366 2HB GLU 48 2HB GLU 48 3.540 3.698 -4.735 367 1HG GLU 48 1HG GLU 48 2.586 1.401 -5.502 368 2HG GLU 48 2HG GLU 48 1.122 2.246 -5.958 369 H ALA 49 H ALA 49 0.788 1.796 -1.731 370 HA ALA 49 HA ALA 49 2.926 0.024 -0.998 371 1HB ALA 49 1HB ALA 49 1.140 -1.061 0.385 372 2HB ALA 49 2HB ALA 49 -0.066 -0.107 -0.458 373 3HB ALA 49 3HB ALA 49 1.136 0.682 0.550 374 H THR 50 H THR 50 3.287 -2.176 -1.473 375 HA THR 50 HA THR 50 1.501 -3.477 -3.427 376 HB THR 50 HB THR 50 4.522 -3.154 -3.729 377 HG1 THR 50 HG1 THR 50 3.336 -1.285 -4.161 378 1HG2 THR 50 1HG2 THR 50 4.071 -4.157 -6.038 379 2HG2 THR 50 2HG2 THR 50 2.351 -4.195 -5.701 380 3HG2 THR 50 3HG2 THR 50 3.429 -5.285 -4.857 381 H ILE 51 H ILE 51 1.143 -4.258 -1.145 382 HA ILE 51 HA ILE 51 3.094 -6.130 -0.026 383 HB ILE 51 HB ILE 51 0.178 -5.597 0.687 384 1HG1 ILE 51 1HG1 ILE 51 1.065 -4.609 2.725 385 2HG1 ILE 51 2HG1 ILE 51 2.716 -4.902 2.207 386 1HG2 ILE 51 1HG2 ILE 51 0.790 -7.918 1.322 387 2HG2 ILE 51 2HG2 ILE 51 0.642 -6.910 2.749 388 3HG2 ILE 51 3HG2 ILE 51 2.228 -7.314 2.134 389 1HD1 ILE 51 1HD1 ILE 51 2.395 -3.308 0.354 390 2HD1 ILE 51 2HD1 ILE 51 2.024 -2.576 1.899 391 3HD1 ILE 51 3HD1 ILE 51 0.711 -3.104 0.850 392 H VAL 52 H VAL 52 3.158 -8.282 -0.369 393 HA VAL 52 HA VAL 52 1.192 -9.498 -2.215 394 HB VAL 52 HB VAL 52 3.951 -10.441 -1.349 395 1HG1 VAL 52 1HG1 VAL 52 2.103 -11.509 -3.497 396 2HG1 VAL 52 2HG1 VAL 52 2.474 -12.296 -1.975 397 3HG1 VAL 52 3HG1 VAL 52 3.740 -12.063 -3.166 398 1HG2 VAL 52 1HG2 VAL 52 4.058 -8.385 -2.758 399 2HG2 VAL 52 2HG2 VAL 52 3.030 -9.147 -3.956 400 3HG2 VAL 52 3HG2 VAL 52 4.647 -9.773 -3.661 401 H TYR 53 H TYR 53 0.039 -11.186 -1.443 402 HA TYR 53 HA TYR 53 0.714 -12.353 1.174 403 1HB TYR 53 1HB TYR 53 -1.604 -11.822 2.066 404 2HB TYR 53 2HB TYR 53 -0.545 -10.439 1.906 405 HD1 TYR 53 HD1 TYR 53 -0.926 -8.813 0.039 406 HD2 TYR 53 HD2 TYR 53 -3.629 -12.020 0.783 407 HE1 TYR 53 HE1 TYR 53 -2.635 -7.686 -1.298 408 HE2 TYR 53 HE2 TYR 53 -5.337 -10.889 -0.555 409 HH TYR 53 HH TYR 53 -5.649 -8.109 -1.168 410 H GLN 54 H GLN 54 -0.924 -13.949 1.884 411 HA GLN 54 HA GLN 54 -1.451 -15.782 -0.355 412 1HB GLN 54 1HB GLN 54 -1.733 -16.127 2.647 413 2HB GLN 54 2HB GLN 54 -1.902 -17.426 1.471 414 1HG GLN 54 1HG GLN 54 0.416 -17.217 0.777 415 2HG GLN 54 2HG GLN 54 0.630 -15.767 1.748 416 1HE2 GLN 54 1HE2 GLN 54 1.275 -16.041 3.875 417 2HE2 GLN 54 2HE2 GLN 54 1.332 -17.528 4.690 418 HA PRO 55 HA PRO 55 -5.315 -14.456 -1.061 419 1HB PRO 55 1HB PRO 55 -6.655 -16.684 -2.051 420 2HB PRO 55 2HB PRO 55 -5.412 -15.782 -2.906 421 1HG PRO 55 1HG PRO 55 -5.211 -18.427 -1.560 422 2HG PRO 55 2HG PRO 55 -4.253 -17.785 -2.887 423 1HD PRO 55 1HD PRO 55 -3.416 -17.947 -0.190 424 2HD PRO 55 2HD PRO 55 -2.634 -17.017 -1.483 425 H HIS 56 H HIS 56 -6.229 -17.634 0.208 426 HA HIS 56 HA HIS 56 -8.636 -16.639 1.475 427 1HB HIS 56 1HB HIS 56 -8.907 -18.985 2.189 428 2HB HIS 56 2HB HIS 56 -8.492 -18.879 0.486 429 HD1 HIS 56 HD1 HIS 56 -6.216 -19.919 -0.128 430 HD2 HIS 56 HD2 HIS 56 -6.830 -19.819 3.895 431 HE1 HIS 56 HE1 HIS 56 -4.409 -21.276 0.871 432 H LEU 57 H LEU 57 -5.725 -15.894 2.559 433 HA LEU 57 HA LEU 57 -6.061 -16.708 5.350 434 1HB LEU 57 1HB LEU 57 -3.955 -15.101 3.845 435 2HB LEU 57 2HB LEU 57 -3.944 -15.203 5.582 436 HG LEU 57 HG LEU 57 -2.379 -16.844 4.512 437 1HD1 LEU 57 1HD1 LEU 57 -4.693 -18.161 5.998 438 2HD1 LEU 57 2HD1 LEU 57 -3.320 -17.353 6.739 439 3HD1 LEU 57 3HD1 LEU 57 -3.081 -18.821 5.810 440 1HD2 LEU 57 1HD2 LEU 57 -3.770 -17.325 2.467 441 2HD2 LEU 57 2HD2 LEU 57 -4.903 -18.182 3.485 442 3HD2 LEU 57 3HD2 LEU 57 -3.273 -18.791 3.300 443 H ILE 58 H ILE 58 -5.590 -13.704 3.607 444 HA ILE 58 HA ILE 58 -7.838 -12.319 4.676 445 HB ILE 58 HB ILE 58 -6.618 -12.391 6.790 446 1HG1 ILE 58 1HG1 ILE 58 -6.367 -9.566 5.673 447 2HG1 ILE 58 2HG1 ILE 58 -7.895 -10.284 6.145 448 1HG2 ILE 58 1HG2 ILE 58 -4.306 -12.682 5.880 449 2HG2 ILE 58 2HG2 ILE 58 -4.337 -11.359 7.021 450 3HG2 ILE 58 3HG2 ILE 58 -4.315 -11.027 5.298 451 1HD1 ILE 58 1HD1 ILE 58 -5.506 -9.825 7.965 452 2HD1 ILE 58 2HD1 ILE 58 -7.030 -10.566 8.447 453 3HD1 ILE 58 3HD1 ILE 58 -6.990 -8.886 7.929 454 H SER 59 H SER 59 -7.854 -10.074 4.101 455 HA SER 59 HA SER 59 -6.202 -9.471 1.676 456 1HB SER 59 1HB SER 59 -8.062 -7.832 1.156 457 2HB SER 59 2HB SER 59 -8.655 -9.489 1.281 458 HG SER 59 HG SER 59 -9.188 -9.065 3.446 459 H VAL 60 H VAL 60 -4.613 -8.155 1.973 460 HA VAL 60 HA VAL 60 -4.165 -6.640 4.342 461 HB VAL 60 HB VAL 60 -2.936 -6.467 1.551 462 1HG1 VAL 60 1HG1 VAL 60 -2.393 -4.451 2.936 463 2HG1 VAL 60 2HG1 VAL 60 -0.974 -5.442 2.712 464 3HG1 VAL 60 3HG1 VAL 60 -1.836 -5.486 4.239 465 1HG2 VAL 60 1HG2 VAL 60 -1.192 -7.969 2.518 466 2HG2 VAL 60 2HG2 VAL 60 -2.766 -8.722 2.615 467 3HG2 VAL 60 3HG2 VAL 60 -2.054 -7.999 4.046 468 H GLU 61 H GLU 61 -6.095 -6.155 1.628 469 HA GLU 61 HA GLU 61 -6.109 -3.357 1.282 470 1HB GLU 61 1HB GLU 61 -7.083 -5.098 -0.241 471 2HB GLU 61 2HB GLU 61 -8.374 -5.361 0.914 472 1HG GLU 61 1HG GLU 61 -9.117 -3.033 0.674 473 2HG GLU 61 2HG GLU 61 -7.775 -2.690 -0.406 474 H GLU 62 H GLU 62 -7.180 -5.246 3.882 475 HA GLU 62 HA GLU 62 -9.361 -3.650 4.868 476 1HB GLU 62 1HB GLU 62 -8.830 -6.054 5.485 477 2HB GLU 62 2HB GLU 62 -7.398 -5.505 6.311 478 1HG GLU 62 1HG GLU 62 -10.261 -4.710 7.046 479 2HG GLU 62 2HG GLU 62 -9.324 -5.929 7.885 480 H MET 63 H MET 63 -5.907 -3.806 5.391 481 HA MET 63 HA MET 63 -5.666 -1.821 7.359 482 1HB MET 63 1HB MET 63 -3.846 -2.862 5.269 483 2HB MET 63 2HB MET 63 -3.316 -1.492 6.218 484 1HG MET 63 1HG MET 63 -4.353 -3.983 7.565 485 2HG MET 63 2HG MET 63 -2.719 -3.900 6.975 486 1HE MET 63 1HE MET 63 -4.463 -1.986 10.693 487 2HE MET 63 2HE MET 63 -5.281 -2.951 9.493 488 3HE MET 63 3HE MET 63 -4.970 -1.221 9.199 489 H LYS 64 H LYS 64 -5.759 -1.666 3.898 490 HA LYS 64 HA LYS 64 -5.174 1.081 3.485 491 1HB LYS 64 1HB LYS 64 -6.295 -1.160 1.921 492 2HB LYS 64 2HB LYS 64 -7.016 0.362 1.467 493 1HG LYS 64 1HG LYS 64 -4.990 -0.214 0.114 494 2HG LYS 64 2HG LYS 64 -4.859 1.322 0.932 495 1HD LYS 64 1HD LYS 64 -2.752 0.020 1.030 496 2HD LYS 64 2HD LYS 64 -3.362 0.359 2.626 497 1HE LYS 64 1HE LYS 64 -4.308 -1.956 2.729 498 2HE LYS 64 2HE LYS 64 -3.659 -2.290 1.136 499 1HZ LYS 64 1HZ LYS 64 -1.704 -2.711 2.018 500 2HZ LYS 64 2HZ LYS 64 -2.383 -2.527 3.563 501 3HZ LYS 64 3HZ LYS 64 -1.653 -1.201 2.794 502 H LYS 65 H LYS 65 -8.140 -0.511 4.470 503 HA LYS 65 HA LYS 65 -9.834 1.724 4.008 504 1HB LYS 65 1HB LYS 65 -10.585 -0.644 4.389 505 2HB LYS 65 2HB LYS 65 -10.047 -0.521 6.049 506 1HG LYS 65 1HG LYS 65 -11.692 1.288 6.465 507 2HG LYS 65 2HG LYS 65 -12.224 1.177 4.791 508 1HD LYS 65 1HD LYS 65 -12.904 -1.196 5.173 509 2HD LYS 65 2HD LYS 65 -12.357 -1.089 6.836 510 1HE LYS 65 1HE LYS 65 -14.801 -0.758 6.723 511 2HE LYS 65 2HE LYS 65 -14.028 0.727 7.256 512 1HZ LYS 65 1HZ LYS 65 -14.643 0.221 4.414 513 2HZ LYS 65 2HZ LYS 65 -14.305 1.700 5.177 514 3HZ LYS 65 3HZ LYS 65 -15.778 0.908 5.473 515 H GLN 66 H GLN 66 -8.105 0.684 6.877 516 HA GLN 66 HA GLN 66 -8.985 2.806 8.540 517 1HB GLN 66 1HB GLN 66 -6.479 1.055 8.659 518 2HB GLN 66 2HB GLN 66 -7.050 2.060 9.974 519 1HG GLN 66 1HG GLN 66 -9.233 0.777 9.953 520 2HG GLN 66 2HG GLN 66 -8.561 -0.275 8.716 521 1HE2 GLN 66 1HE2 GLN 66 -7.629 -2.125 9.521 522 2HE2 GLN 66 2HE2 GLN 66 -6.982 -2.311 11.078 523 H ILE 67 H ILE 67 -6.363 2.402 6.313 524 HA ILE 67 HA ILE 67 -4.865 4.749 6.963 525 HB ILE 67 HB ILE 67 -5.138 3.005 4.503 526 1HG1 ILE 67 1HG1 ILE 67 -3.041 3.206 6.703 527 2HG1 ILE 67 2HG1 ILE 67 -4.299 2.047 6.754 528 1HG2 ILE 67 1HG2 ILE 67 -2.948 3.976 3.767 529 2HG2 ILE 67 2HG2 ILE 67 -3.003 5.115 5.101 530 3HG2 ILE 67 3HG2 ILE 67 -4.202 5.191 3.814 531 1HD1 ILE 67 1HD1 ILE 67 -3.482 1.005 4.634 532 2HD1 ILE 67 2HD1 ILE 67 -2.280 0.971 5.896 533 3HD1 ILE 67 3HD1 ILE 67 -2.144 2.142 4.596 534 H GLU 68 H GLU 68 -7.609 3.997 4.971 535 HA GLU 68 HA GLU 68 -7.759 6.660 3.738 536 1HB GLU 68 1HB GLU 68 -9.574 4.258 3.795 537 2HB GLU 68 2HB GLU 68 -9.992 5.753 2.980 538 1HG GLU 68 1HG GLU 68 -8.045 5.561 1.534 539 2HG GLU 68 2HG GLU 68 -7.398 4.211 2.405 540 H ALA 69 H ALA 69 -8.764 5.205 6.635 541 HA ALA 69 HA ALA 69 -10.985 7.023 7.158 542 1HB ALA 69 1HB ALA 69 -10.922 4.743 8.133 543 2HB ALA 69 2HB ALA 69 -10.979 5.968 9.395 544 3HB ALA 69 3HB ALA 69 -9.464 5.162 9.023 545 H MET 70 H MET 70 -7.568 6.737 8.030 546 HA MET 70 HA MET 70 -7.584 8.918 9.848 547 1HB MET 70 1HB MET 70 -5.138 8.557 9.808 548 2HB MET 70 2HB MET 70 -6.021 7.068 10.037 549 1HG MET 70 1HG MET 70 -5.734 6.494 7.743 550 2HG MET 70 2HG MET 70 -4.872 7.969 7.396 551 1HE MET 70 1HE MET 70 -1.324 7.251 8.137 552 2HE MET 70 2HE MET 70 -2.537 8.504 8.061 553 3HE MET 70 3HE MET 70 -2.312 7.390 6.690 554 H GLY 71 H GLY 71 -7.655 8.756 6.479 555 1HA GLY 71 1HA GLY 71 -8.059 10.958 5.401 556 2HA GLY 71 2HA GLY 71 -6.690 11.589 6.283 557 H PHE 72 H PHE 72 -6.444 8.472 4.738 558 HA PHE 72 HA PHE 72 -4.833 9.703 2.533 559 1HB PHE 72 1HB PHE 72 -4.173 7.226 4.203 560 2HB PHE 72 2HB PHE 72 -3.439 7.600 2.686 561 HD1 PHE 72 HD1 PHE 72 -1.434 8.752 2.730 562 HD2 PHE 72 HD2 PHE 72 -4.194 9.390 5.912 563 HE1 PHE 72 HE1 PHE 72 0.154 10.246 3.799 564 HE2 PHE 72 HE2 PHE 72 -2.603 10.882 6.987 565 HZ PHE 72 HZ PHE 72 -0.421 11.329 5.954 566 HA PRO 73 HA PRO 73 -8.369 7.309 0.672 567 1HB PRO 73 1HB PRO 73 -7.616 8.962 -1.618 568 2HB PRO 73 2HB PRO 73 -9.188 8.671 -0.886 569 1HG PRO 73 1HG PRO 73 -7.699 11.035 -0.571 570 2HG PRO 73 2HG PRO 73 -9.029 10.537 0.458 571 1HD PRO 73 1HD PRO 73 -6.168 10.601 1.121 572 2HD PRO 73 2HD PRO 73 -7.547 10.330 2.198 573 H ALA 74 H ALA 74 -8.001 5.528 -0.336 574 HA ALA 74 HA ALA 74 -5.435 5.086 -1.813 575 1HB ALA 74 1HB ALA 74 -6.942 3.069 -0.084 576 2HB ALA 74 2HB ALA 74 -5.469 3.902 0.383 577 3HB ALA 74 3HB ALA 74 -5.446 2.769 -0.956 578 H PHE 75 H PHE 75 -5.754 4.872 -3.743 579 HA PHE 75 HA PHE 75 -8.323 4.184 -4.945 580 1HB PHE 75 1HB PHE 75 -5.656 4.821 -6.307 581 2HB PHE 75 2HB PHE 75 -7.257 4.937 -7.027 582 HD1 PHE 75 HD1 PHE 75 -8.971 6.497 -5.653 583 HD2 PHE 75 HD2 PHE 75 -4.726 6.780 -5.396 584 HE1 PHE 75 HE1 PHE 75 -9.168 8.786 -4.795 585 HE2 PHE 75 HE2 PHE 75 -4.929 9.064 -4.539 586 HZ PHE 75 HZ PHE 75 -7.150 10.074 -4.237 587 H VAL 76 H VAL 76 -8.126 2.080 -3.838 588 HA VAL 76 HA VAL 76 -6.358 0.075 -5.074 589 HB VAL 76 HB VAL 76 -8.542 -0.289 -2.974 590 1HG1 VAL 76 1HG1 VAL 76 -7.294 -2.395 -2.473 591 2HG1 VAL 76 2HG1 VAL 76 -6.209 -2.068 -3.809 592 3HG1 VAL 76 3HG1 VAL 76 -7.906 -2.391 -4.115 593 1HG2 VAL 76 1HG2 VAL 76 -6.814 1.281 -2.161 594 2HG2 VAL 76 2HG2 VAL 76 -5.556 0.140 -2.599 595 3HG2 VAL 76 3HG2 VAL 76 -6.698 -0.254 -1.321 596 H LYS 77 H LYS 77 -6.917 -0.887 -6.858 597 HA LYS 77 HA LYS 77 -9.567 -0.707 -8.008 598 1HB LYS 77 1HB LYS 77 -7.550 -0.791 -9.434 599 2HB LYS 77 2HB LYS 77 -7.116 -2.356 -8.782 600 1HG LYS 77 1HG LYS 77 -8.139 -2.616 -11.002 601 2HG LYS 77 2HG LYS 77 -9.153 -3.366 -9.791 602 1HD LYS 77 1HD LYS 77 -10.608 -1.292 -9.783 603 2HD LYS 77 2HD LYS 77 -9.584 -0.602 -11.030 604 1HE LYS 77 1HE LYS 77 -11.594 -1.643 -12.029 605 2HE LYS 77 2HE LYS 77 -10.162 -2.532 -12.526 606 1HZ LYS 77 1HZ LYS 77 -10.709 -4.309 -11.270 607 2HZ LYS 77 2HZ LYS 77 -12.275 -3.720 -11.565 608 3HZ LYS 77 3HZ LYS 77 -11.508 -3.393 -10.085 609 H LYS 78 H LYS 78 -7.782 -3.097 -6.239 610 HA LYS 78 HA LYS 78 -9.525 -5.305 -6.621 611 1HB LYS 78 1HB LYS 78 -7.485 -4.713 -4.456 612 2HB LYS 78 2HB LYS 78 -8.225 -6.279 -4.671 613 1HG LYS 78 1HG LYS 78 -6.513 -4.800 -6.723 614 2HG LYS 78 2HG LYS 78 -5.987 -6.128 -5.721 615 1HD LYS 78 1HD LYS 78 -8.152 -6.290 -7.878 616 2HD LYS 78 2HD LYS 78 -6.524 -6.907 -8.011 617 1HE LYS 78 1HE LYS 78 -6.958 -8.481 -6.108 618 2HE LYS 78 2HE LYS 78 -8.618 -7.902 -6.031 619 1HZ LYS 78 1HZ LYS 78 -8.958 -8.616 -8.289 620 2HZ LYS 78 2HZ LYS 78 -8.449 -9.910 -7.312 621 3HZ LYS 78 3HZ LYS 78 -7.356 -9.172 -8.382 622 H GLN 79 H GLN 79 -10.431 -6.487 -4.796 623 HA GLN 79 HA GLN 79 -12.202 -4.759 -3.127 624 1HB GLN 79 1HB GLN 79 -12.631 -7.590 -4.201 625 2HB GLN 79 2HB GLN 79 -13.766 -6.756 -3.169 626 1HG GLN 79 1HG GLN 79 -14.553 -6.523 -5.450 627 2HG GLN 79 2HG GLN 79 -13.973 -4.950 -4.933 628 1HE2 GLN 79 1HE2 GLN 79 -13.049 -4.009 -6.741 629 2HE2 GLN 79 2HE2 GLN 79 -11.950 -4.772 -7.785 630 HA PRO 80 HA PRO 80 -10.414 -6.658 0.483 631 1HB PRO 80 1HB PRO 80 -12.934 -7.207 1.838 632 2HB PRO 80 2HB PRO 80 -11.753 -5.952 2.176 633 1HG PRO 80 1HG PRO 80 -14.309 -5.572 1.038 634 2HG PRO 80 2HG PRO 80 -13.023 -4.377 1.122 635 1HD PRO 80 1HD PRO 80 -13.966 -5.912 -1.216 636 2HD PRO 80 2HD PRO 80 -12.969 -4.448 -1.172 637 H LYS 81 H LYS 81 -10.874 -8.659 2.027 638 HA LYS 81 HA LYS 81 -10.500 -10.995 0.468 639 1HB LYS 81 1HB LYS 81 -10.730 -12.214 2.665 640 2HB LYS 81 2HB LYS 81 -9.589 -10.895 2.707 641 1HG LYS 81 1HG LYS 81 -11.379 -9.428 3.734 642 2HG LYS 81 2HG LYS 81 -12.457 -10.815 3.743 643 1HD LYS 81 1HD LYS 81 -10.886 -12.057 5.198 644 2HD LYS 81 2HD LYS 81 -9.753 -10.718 5.138 645 1HE LYS 81 1HE LYS 81 -11.073 -10.641 7.232 646 2HE LYS 81 2HE LYS 81 -11.441 -9.242 6.235 647 1HZ LYS 81 1HZ LYS 81 -13.460 -10.165 5.569 648 2HZ LYS 81 2HZ LYS 81 -13.374 -10.462 7.239 649 3HZ LYS 81 3HZ LYS 81 -13.053 -11.714 6.136 650 H TYR 82 H TYR 82 -11.697 -12.691 -0.027 651 HA TYR 82 HA TYR 82 -14.662 -12.567 0.360 652 1HB TYR 82 1HB TYR 82 -13.917 -12.004 -1.976 653 2HB TYR 82 2HB TYR 82 -13.064 -13.528 -2.078 654 HD1 TYR 82 HD1 TYR 82 -14.202 -15.289 -3.147 655 HD2 TYR 82 HD2 TYR 82 -16.505 -12.264 -1.218 656 HE1 TYR 82 HE1 TYR 82 -16.261 -16.361 -3.919 657 HE2 TYR 82 HE2 TYR 82 -18.561 -13.341 -1.995 658 HH TYR 82 HH TYR 82 -19.041 -15.017 -4.190 659 H LEU 83 H LEU 83 -15.479 -14.929 -0.291 660 HA LEU 83 HA LEU 83 -15.860 -16.990 0.720 661 1HB LEU 83 1HB LEU 83 -14.301 -18.676 -0.094 662 2HB LEU 83 2HB LEU 83 -14.486 -17.460 -1.320 663 HG LEU 83 HG LEU 83 -12.113 -17.091 0.537 664 1HD1 LEU 83 1HD1 LEU 83 -10.781 -18.713 -0.769 665 2HD1 LEU 83 2HD1 LEU 83 -12.206 -19.183 -1.684 666 3HD1 LEU 83 3HD1 LEU 83 -12.103 -19.541 0.032 667 1HD2 LEU 83 1HD2 LEU 83 -12.582 -15.530 -1.427 668 2HD2 LEU 83 2HD2 LEU 83 -12.446 -16.902 -2.501 669 3HD2 LEU 83 3HD2 LEU 83 -11.054 -16.364 -1.579 670 H LYS 84 H LYS 84 -13.494 -18.691 1.627 671 HA LYS 84 HA LYS 84 -13.027 -17.456 4.307 672 1HB LYS 84 1HB LYS 84 -14.827 -19.203 4.403 673 2HB LYS 84 2HB LYS 84 -13.715 -20.377 3.723 674 1HG LYS 84 1HG LYS 84 -12.182 -20.026 5.691 675 2HG LYS 84 2HG LYS 84 -13.339 -18.887 6.362 676 1HD LYS 84 1HD LYS 84 -15.055 -20.682 6.459 677 2HD LYS 84 2HD LYS 84 -13.911 -21.820 5.765 678 1HE LYS 84 1HE LYS 84 -12.392 -21.458 7.726 679 2HE LYS 84 2HE LYS 84 -13.579 -20.363 8.424 680 1HZ LYS 84 1HZ LYS 84 -15.159 -22.131 8.535 681 2HZ LYS 84 2HZ LYS 84 -13.723 -22.619 9.301 682 3HZ LYS 84 3HZ LYS 84 -14.096 -23.198 7.749 Start of MODEL 19 1 1H GLY 1 1H GLY 1 0.161 -23.817 -15.949 2 2H GLY 1 2H GLY 1 1.438 -23.621 -14.845 3 3H GLY 1 3H GLY 1 0.067 -24.522 -14.406 4 1HA GLY 1 1HA GLY 1 0.629 -26.066 -16.296 5 2HA GLY 1 2HA GLY 1 2.186 -25.235 -16.338 6 H SER 2 H SER 2 0.068 -26.186 -13.680 7 HA SER 2 HA SER 2 1.860 -28.274 -12.713 8 1HB SER 2 1HB SER 2 2.329 -27.105 -10.499 9 2HB SER 2 2HB SER 2 3.048 -26.228 -11.857 10 HG SER 2 HG SER 2 1.060 -25.022 -11.945 11 H MET 3 H MET 3 0.900 -29.598 -11.239 12 HA MET 3 HA MET 3 -1.950 -29.714 -11.166 13 1HB MET 3 1HB MET 3 0.102 -31.069 -9.351 14 2HB MET 3 2HB MET 3 -1.587 -31.531 -9.461 15 1HG MET 3 1HG MET 3 -1.306 -32.021 -11.861 16 2HG MET 3 2HG MET 3 0.369 -31.554 -11.782 17 1HE MET 3 1HE MET 3 2.248 -33.155 -11.575 18 2HE MET 3 2HE MET 3 2.236 -34.419 -10.356 19 3HE MET 3 3HE MET 3 1.969 -32.759 -9.862 20 H ALA 4 H ALA 4 0.418 -28.706 -8.770 21 HA ALA 4 HA ALA 4 -1.606 -27.881 -6.818 22 1HB ALA 4 1HB ALA 4 0.368 -27.129 -5.500 23 2HB ALA 4 2HB ALA 4 1.409 -27.435 -6.884 24 3HB ALA 4 3HB ALA 4 0.594 -28.770 -6.084 25 H GLN 5 H GLN 5 -1.736 -25.684 -6.029 26 HA GLN 5 HA GLN 5 -0.785 -23.497 -7.754 27 1HB GLN 5 1HB GLN 5 -2.943 -24.392 -8.804 28 2HB GLN 5 2HB GLN 5 -3.785 -23.961 -7.330 29 1HG GLN 5 1HG GLN 5 -3.117 -21.554 -7.672 30 2HG GLN 5 2HG GLN 5 -2.279 -22.017 -9.145 31 1HE2 GLN 5 1HE2 GLN 5 -5.508 -21.913 -7.627 32 2HE2 GLN 5 2HE2 GLN 5 -6.372 -21.892 -9.088 33 H ALA 6 H ALA 6 0.197 -23.707 -5.490 34 HA ALA 6 HA ALA 6 -1.388 -22.370 -3.363 35 1HB ALA 6 1HB ALA 6 0.574 -22.958 -1.932 36 2HB ALA 6 2HB ALA 6 1.423 -23.564 -3.346 37 3HB ALA 6 3HB ALA 6 -0.029 -24.372 -2.779 38 H GLY 7 H GLY 7 -1.058 -20.769 -5.468 39 1HA GLY 7 1HA GLY 7 1.294 -19.101 -5.426 40 2HA GLY 7 2HA GLY 7 -0.223 -18.734 -6.233 41 H GLU 8 H GLU 8 0.721 -16.633 -5.389 42 HA GLU 8 HA GLU 8 -0.713 -15.880 -2.901 43 1HB GLU 8 1HB GLU 8 1.270 -14.493 -2.258 44 2HB GLU 8 2HB GLU 8 1.570 -16.221 -2.233 45 1HG GLU 8 1HG GLU 8 2.572 -15.970 -4.608 46 2HG GLU 8 2HG GLU 8 2.514 -14.237 -4.348 47 H VAL 9 H VAL 9 -1.937 -14.216 -3.200 48 HA VAL 9 HA VAL 9 -2.164 -12.845 -5.722 49 HB VAL 9 HB VAL 9 -3.962 -11.522 -4.487 50 1HG1 VAL 9 1HG1 VAL 9 -5.440 -13.497 -4.205 51 2HG1 VAL 9 2HG1 VAL 9 -4.040 -14.557 -4.217 52 3HG1 VAL 9 3HG1 VAL 9 -4.464 -13.641 -5.654 53 1HG2 VAL 9 1HG2 VAL 9 -3.287 -13.391 -2.150 54 2HG2 VAL 9 2HG2 VAL 9 -4.592 -12.238 -2.200 55 3HG2 VAL 9 3HG2 VAL 9 -2.936 -11.674 -2.142 56 H VAL 10 H VAL 10 -1.093 -11.215 -6.417 57 HA VAL 10 HA VAL 10 0.619 -9.585 -4.665 58 HB VAL 10 HB VAL 10 1.593 -8.794 -6.864 59 1HG1 VAL 10 1HG1 VAL 10 2.577 -10.987 -7.496 60 2HG1 VAL 10 2HG1 VAL 10 1.337 -11.823 -6.577 61 3HG1 VAL 10 3HG1 VAL 10 2.518 -10.820 -5.755 62 1HG2 VAL 10 1HG2 VAL 10 -0.462 -9.023 -8.307 63 2HG2 VAL 10 2HG2 VAL 10 -0.398 -10.763 -8.107 64 3HG2 VAL 10 3HG2 VAL 10 0.884 -9.927 -8.959 65 H LEU 11 H LEU 11 -1.504 -8.647 -3.783 66 HA LEU 11 HA LEU 11 -2.963 -6.716 -5.296 67 1HB LEU 11 1HB LEU 11 -2.563 -7.149 -2.336 68 2HB LEU 11 2HB LEU 11 -3.479 -5.776 -2.896 69 HG LEU 11 HG LEU 11 -4.925 -7.734 -2.297 70 1HD1 LEU 11 1HD1 LEU 11 -5.047 -6.933 -5.240 71 2HD1 LEU 11 2HD1 LEU 11 -5.749 -6.043 -3.899 72 3HD1 LEU 11 3HD1 LEU 11 -6.357 -7.636 -4.313 73 1HD2 LEU 11 1HD2 LEU 11 -3.429 -9.568 -3.095 74 2HD2 LEU 11 2HD2 LEU 11 -3.704 -9.070 -4.753 75 3HD2 LEU 11 3HD2 LEU 11 -5.035 -9.680 -3.792 76 H LYS 12 H LYS 12 -2.320 -4.939 -6.138 77 HA LYS 12 HA LYS 12 -0.029 -3.396 -5.010 78 1HB LYS 12 1HB LYS 12 -0.547 -4.043 -7.613 79 2HB LYS 12 2HB LYS 12 -1.551 -2.620 -7.540 80 1HG LYS 12 1HG LYS 12 1.454 -2.791 -7.062 81 2HG LYS 12 2HG LYS 12 0.654 -2.006 -8.394 82 1HD LYS 12 1HD LYS 12 0.548 -1.077 -5.489 83 2HD LYS 12 2HD LYS 12 1.500 -0.371 -6.764 84 1HE LYS 12 1HE LYS 12 -1.542 -0.492 -6.868 85 2HE LYS 12 2HE LYS 12 -0.608 0.893 -6.346 86 1HZ LYS 12 1HZ LYS 12 0.529 0.807 -8.530 87 2HZ LYS 12 2HZ LYS 12 -1.122 1.192 -8.603 88 3HZ LYS 12 3HZ LYS 12 -0.596 -0.370 -9.014 89 H MET 13 H MET 13 -0.405 -1.619 -3.896 90 HA MET 13 HA MET 13 -3.160 -0.454 -3.855 91 1HB MET 13 1HB MET 13 -1.251 -0.599 -1.499 92 2HB MET 13 2HB MET 13 -2.951 -0.211 -1.443 93 1HG MET 13 1HG MET 13 -3.458 -2.550 -2.234 94 2HG MET 13 2HG MET 13 -1.760 -2.915 -2.154 95 1HE MET 13 1HE MET 13 -4.504 -4.391 -0.607 96 2HE MET 13 2HE MET 13 -5.041 -2.699 -0.519 97 3HE MET 13 3HE MET 13 -4.779 -3.609 0.946 98 H LYS 14 H LYS 14 -3.185 1.706 -4.077 99 HA LYS 14 HA LYS 14 -0.571 3.148 -4.125 100 1HB LYS 14 1HB LYS 14 -1.606 2.698 -6.353 101 2HB LYS 14 2HB LYS 14 -2.951 3.674 -5.826 102 1HG LYS 14 1HG LYS 14 -1.461 5.641 -5.519 103 2HG LYS 14 2HG LYS 14 -0.069 4.665 -5.955 104 1HD LYS 14 1HD LYS 14 -1.113 4.272 -8.220 105 2HD LYS 14 2HD LYS 14 -2.433 5.332 -7.758 106 1HE LYS 14 1HE LYS 14 -0.834 7.205 -7.431 107 2HE LYS 14 2HE LYS 14 0.503 6.146 -7.868 108 1HZ LYS 14 1HZ LYS 14 -1.792 6.816 -9.615 109 2HZ LYS 14 2HZ LYS 14 -0.463 5.844 -10.033 110 3HZ LYS 14 3HZ LYS 14 -0.239 7.498 -9.717 111 H VAL 15 H VAL 15 -0.716 3.951 -2.060 112 HA VAL 15 HA VAL 15 -2.992 5.331 -1.027 113 HB VAL 15 HB VAL 15 -0.145 4.809 -0.245 114 1HG1 VAL 15 1HG1 VAL 15 -0.224 7.242 0.180 115 2HG1 VAL 15 2HG1 VAL 15 -0.234 6.346 1.689 116 3HG1 VAL 15 3HG1 VAL 15 -1.728 7.028 1.062 117 1HG2 VAL 15 1HG2 VAL 15 -2.037 3.410 0.588 118 2HG2 VAL 15 2HG2 VAL 15 -2.734 4.842 1.345 119 3HG2 VAL 15 3HG2 VAL 15 -1.190 4.220 1.898 120 H GLU 16 H GLU 16 -2.898 7.557 -0.309 121 HA GLU 16 HA GLU 16 -1.993 9.422 -2.457 122 1HB GLU 16 1HB GLU 16 -4.482 9.275 -2.023 123 2HB GLU 16 2HB GLU 16 -4.196 9.678 -0.341 124 1HG GLU 16 1HG GLU 16 -3.145 11.848 -1.094 125 2HG GLU 16 2HG GLU 16 -3.558 11.426 -2.751 126 H GLY 17 H GLY 17 -0.168 10.400 -1.789 127 1HA GLY 17 1HA GLY 17 0.919 10.258 0.811 128 2HA GLY 17 2HA GLY 17 1.508 11.287 -0.472 129 H MET 18 H MET 18 -1.702 11.956 0.181 130 HA MET 18 HA MET 18 -2.831 13.712 1.159 131 1HB MET 18 1HB MET 18 -1.811 12.509 3.227 132 2HB MET 18 2HB MET 18 -0.558 13.730 3.236 133 1HG MET 18 1HG MET 18 -2.325 15.498 3.442 134 2HG MET 18 2HG MET 18 -3.530 14.245 3.482 135 1HE MET 18 1HE MET 18 -3.141 12.523 6.784 136 2HE MET 18 2HE MET 18 -3.108 12.185 5.073 137 3HE MET 18 3HE MET 18 -4.418 13.172 5.750 138 H THR 19 H THR 19 -0.633 15.613 2.681 139 HA THR 19 HA THR 19 0.874 16.855 0.629 140 HB THR 19 HB THR 19 -1.248 17.583 -0.419 141 HG1 THR 19 HG1 THR 19 -0.253 19.650 1.236 142 1HG2 THR 19 1HG2 THR 19 -2.741 17.305 1.638 143 2HG2 THR 19 2HG2 THR 19 -2.960 18.843 0.824 144 3HG2 THR 19 3HG2 THR 19 -2.025 18.764 2.307 145 H CYS 20 H CYS 20 -1.013 17.390 3.555 146 HA CYS 20 HA CYS 20 0.815 19.392 4.593 147 1HB CYS 20 1HB CYS 20 -1.624 19.489 4.956 148 2HB CYS 20 2HB CYS 20 -1.577 17.976 5.816 149 H HIS 21 H HIS 21 -0.166 17.384 7.118 150 HA HIS 21 HA HIS 21 2.573 16.503 7.641 151 1HB HIS 21 1HB HIS 21 -0.034 15.963 9.140 152 2HB HIS 21 2HB HIS 21 1.575 15.595 9.751 153 HD1 HIS 21 HD1 HIS 21 -0.781 18.314 9.586 154 HD2 HIS 21 HD2 HIS 21 3.263 18.016 10.051 155 HE1 HIS 21 HE1 HIS 21 -0.020 20.492 10.463 156 H SER 22 H SER 22 2.653 14.117 8.582 157 HA SER 22 HA SER 22 1.134 12.214 6.961 158 1HB SER 22 1HB SER 22 3.050 12.834 5.442 159 2HB SER 22 2HB SER 22 4.197 12.402 6.721 160 HG SER 22 HG SER 22 2.613 10.794 5.119 161 H CYS 23 H CYS 23 1.455 10.034 7.487 162 HA CYS 23 HA CYS 23 2.914 9.350 9.941 163 1HB CYS 23 1HB CYS 23 0.737 10.329 10.697 164 2HB CYS 23 2HB CYS 23 -0.114 9.146 9.747 165 H THR 24 H THR 24 3.005 8.559 7.155 166 HA THR 24 HA THR 24 1.775 5.977 6.826 167 HB THR 24 HB THR 24 3.352 5.746 4.846 168 HG1 THR 24 HG1 THR 24 4.307 8.159 6.013 169 1HG2 THR 24 1HG2 THR 24 1.277 7.241 4.578 170 2HG2 THR 24 2HG2 THR 24 2.633 7.787 3.608 171 3HG2 THR 24 3HG2 THR 24 2.243 8.607 5.110 172 H SER 25 H SER 25 4.214 6.832 8.881 173 HA SER 25 HA SER 25 6.090 4.677 8.598 174 1HB SER 25 1HB SER 25 5.291 6.272 11.099 175 2HB SER 25 2HB SER 25 6.758 5.286 10.941 176 HG SER 25 HG SER 25 7.297 6.549 9.113 177 H THR 26 H THR 26 3.034 5.027 10.202 178 HA THR 26 HA THR 26 3.038 2.624 11.739 179 HB THR 26 HB THR 26 0.516 3.018 11.847 180 HG1 THR 26 HG1 THR 26 1.321 4.651 9.701 181 1HG2 THR 26 1HG2 THR 26 2.050 4.537 13.245 182 2HG2 THR 26 2HG2 THR 26 0.573 5.336 12.731 183 3HG2 THR 26 3HG2 THR 26 2.085 5.664 11.900 184 H ILE 27 H ILE 27 2.202 3.358 8.458 185 HA ILE 27 HA ILE 27 0.763 1.045 7.708 186 HB ILE 27 HB ILE 27 2.658 2.771 6.042 187 1HG1 ILE 27 1HG1 ILE 27 -0.349 2.936 6.553 188 2HG1 ILE 27 2HG1 ILE 27 0.831 4.036 7.219 189 1HG2 ILE 27 1HG2 ILE 27 0.433 0.943 5.101 190 2HG2 ILE 27 2HG2 ILE 27 2.156 0.659 4.886 191 3HG2 ILE 27 3HG2 ILE 27 1.392 2.009 4.084 192 1HD1 ILE 27 1HD1 ILE 27 1.441 4.759 4.912 193 2HD1 ILE 27 2HD1 ILE 27 -0.238 5.078 5.288 194 3HD1 ILE 27 3HD1 ILE 27 0.185 3.724 4.257 195 H GLU 28 H GLU 28 4.210 1.558 8.036 196 HA GLU 28 HA GLU 28 5.223 -0.640 6.694 197 1HB GLU 28 1HB GLU 28 6.370 1.370 7.843 198 2HB GLU 28 2HB GLU 28 6.279 0.467 9.324 199 1HG GLU 28 1HG GLU 28 7.652 -0.492 6.805 200 2HG GLU 28 2HG GLU 28 8.454 0.188 8.214 201 H GLY 29 H GLY 29 4.854 -0.480 10.179 202 1HA GLY 29 1HA GLY 29 4.996 -3.347 10.552 203 2HA GLY 29 2HA GLY 29 4.674 -2.160 11.797 204 H LYS 30 H LYS 30 2.288 -1.193 10.137 205 HA LYS 30 HA LYS 30 0.321 -2.856 11.464 206 1HB LYS 30 1HB LYS 30 -0.068 -0.421 10.934 207 2HB LYS 30 2HB LYS 30 -0.055 -0.822 9.224 208 1HG LYS 30 1HG LYS 30 -2.036 -2.309 9.564 209 2HG LYS 30 2HG LYS 30 -2.000 -1.986 11.281 210 1HD LYS 30 1HD LYS 30 -3.745 -0.615 10.389 211 2HD LYS 30 2HD LYS 30 -2.420 0.471 10.741 212 1HE LYS 30 1HE LYS 30 -2.950 -0.672 7.965 213 2HE LYS 30 2HE LYS 30 -3.541 0.889 8.506 214 1HZ LYS 30 1HZ LYS 30 -1.647 1.660 7.735 215 2HZ LYS 30 2HZ LYS 30 -0.936 0.120 7.645 216 3HZ LYS 30 3HZ LYS 30 -0.913 0.984 9.108 217 H ILE 31 H ILE 31 1.260 -2.316 8.154 218 HA ILE 31 HA ILE 31 -0.347 -4.440 7.052 219 HB ILE 31 HB ILE 31 1.979 -2.856 5.883 220 1HG1 ILE 31 1HG1 ILE 31 0.110 -1.363 6.546 221 2HG1 ILE 31 2HG1 ILE 31 0.251 -1.433 4.806 222 1HG2 ILE 31 1HG2 ILE 31 1.094 -3.464 3.686 223 2HG2 ILE 31 2HG2 ILE 31 -0.102 -4.516 4.430 224 3HG2 ILE 31 3HG2 ILE 31 1.607 -4.888 4.570 225 1HD1 ILE 31 1HD1 ILE 31 -2.115 -1.548 5.510 226 2HD1 ILE 31 2HD1 ILE 31 -1.785 -2.967 6.479 227 3HD1 ILE 31 3HD1 ILE 31 -1.663 -3.049 4.728 228 H GLY 32 H GLY 32 2.853 -4.159 8.334 229 1HA GLY 32 1HA GLY 32 3.916 -6.579 7.225 230 2HA GLY 32 2HA GLY 32 4.638 -5.622 8.508 231 H LYS 33 H LYS 33 1.877 -5.835 9.816 232 HA LYS 33 HA LYS 33 2.500 -8.153 11.424 233 1HB LYS 33 1HB LYS 33 1.941 -6.050 12.460 234 2HB LYS 33 2HB LYS 33 0.397 -6.046 11.647 235 1HG LYS 33 1HG LYS 33 0.078 -6.624 13.984 236 2HG LYS 33 2HG LYS 33 -0.311 -8.029 13.038 237 1HD LYS 33 1HD LYS 33 2.483 -7.682 14.188 238 2HD LYS 33 2HD LYS 33 1.184 -8.243 15.213 239 1HE LYS 33 1HE LYS 33 0.791 -10.163 13.668 240 2HE LYS 33 2HE LYS 33 2.140 -9.650 12.670 241 1HZ LYS 33 1HZ LYS 33 3.598 -9.871 14.554 242 2HZ LYS 33 2HZ LYS 33 2.803 -11.332 14.213 243 3HZ LYS 33 3HZ LYS 33 2.301 -10.377 15.525 244 H LEU 34 H LEU 34 0.744 -7.665 8.673 245 HA LEU 34 HA LEU 34 -1.586 -9.174 9.156 246 1HB LEU 34 1HB LEU 34 -0.094 -8.331 6.681 247 2HB LEU 34 2HB LEU 34 -1.625 -9.174 6.574 248 HG LEU 34 HG LEU 34 -1.190 -6.521 8.056 249 1HD1 LEU 34 1HD1 LEU 34 -0.915 -6.316 5.569 250 2HD1 LEU 34 2HD1 LEU 34 -2.372 -5.508 6.112 251 3HD1 LEU 34 3HD1 LEU 34 -2.478 -7.081 5.351 252 1HD2 LEU 34 1HD2 LEU 34 -3.143 -7.887 8.899 253 2HD2 LEU 34 2HD2 LEU 34 -3.754 -7.989 7.255 254 3HD2 LEU 34 3HD2 LEU 34 -3.679 -6.446 8.079 255 H GLN 35 H GLN 35 -1.902 -11.251 9.227 256 HA GLN 35 HA GLN 35 0.249 -13.141 9.006 257 1HB GLN 35 1HB GLN 35 -1.481 -14.809 9.645 258 2HB GLN 35 2HB GLN 35 -1.501 -13.405 10.693 259 1HG GLN 35 1HG GLN 35 -3.424 -12.456 9.400 260 2HG GLN 35 2HG GLN 35 -3.411 -13.859 8.341 261 1HE2 GLN 35 1HE2 GLN 35 -3.854 -12.910 11.760 262 2HE2 GLN 35 2HE2 GLN 35 -4.837 -14.235 12.160 263 H GLY 36 H GLY 36 0.567 -14.786 7.576 264 1HA GLY 36 1HA GLY 36 0.402 -16.059 5.642 265 2HA GLY 36 2HA GLY 36 -1.205 -15.395 5.397 266 H VAL 37 H VAL 37 1.157 -13.067 5.872 267 HA VAL 37 HA VAL 37 1.006 -12.216 3.070 268 HB VAL 37 HB VAL 37 2.002 -10.895 5.652 269 1HG1 VAL 37 1HG1 VAL 37 2.589 -8.917 4.315 270 2HG1 VAL 37 2HG1 VAL 37 2.219 -9.773 2.821 271 3HG1 VAL 37 3HG1 VAL 37 3.595 -10.259 3.803 272 1HG2 VAL 37 1HG2 VAL 37 0.245 -9.300 4.981 273 2HG2 VAL 37 2HG2 VAL 37 -0.419 -10.929 5.099 274 3HG2 VAL 37 3HG2 VAL 37 -0.069 -10.216 3.533 275 H GLN 38 H GLN 38 2.562 -12.294 1.645 276 HA GLN 38 HA GLN 38 5.027 -13.784 2.373 277 1HB GLN 38 1HB GLN 38 3.985 -13.035 -0.417 278 2HB GLN 38 2HB GLN 38 5.278 -14.157 -0.051 279 1HG GLN 38 1HG GLN 38 2.308 -14.479 0.522 280 2HG GLN 38 2HG GLN 38 3.296 -15.456 -0.538 281 1HE2 GLN 38 1HE2 GLN 38 2.378 -14.859 2.722 282 2HE2 GLN 38 2HE2 GLN 38 3.149 -16.200 3.437 283 H ARG 39 H ARG 39 4.483 -11.350 -0.077 284 HA ARG 39 HA ARG 39 6.919 -9.906 0.820 285 1HB ARG 39 1HB ARG 39 6.573 -10.712 -1.621 286 2HB ARG 39 2HB ARG 39 5.347 -9.473 -1.744 287 1HG ARG 39 1HG ARG 39 7.308 -8.573 -2.718 288 2HG ARG 39 2HG ARG 39 7.014 -7.727 -1.223 289 1HD ARG 39 1HD ARG 39 8.942 -10.071 -1.355 290 2HD ARG 39 2HD ARG 39 9.467 -8.438 -1.715 291 HE ARG 39 HE ARG 39 8.848 -9.516 0.921 292 1HH1 ARG 39 1HH1 ARG 39 9.029 -6.658 -1.032 293 2HH1 ARG 39 2HH1 ARG 39 9.265 -5.609 0.324 294 1HH2 ARG 39 1HH2 ARG 39 9.147 -8.204 2.651 295 2HH2 ARG 39 2HH2 ARG 39 9.332 -6.494 2.437 296 H ILE 40 H ILE 40 6.885 -7.585 0.715 297 HA ILE 40 HA ILE 40 4.398 -6.105 0.940 298 HB ILE 40 HB ILE 40 4.525 -7.052 3.173 299 1HG1 ILE 40 1HG1 ILE 40 5.518 -4.160 3.268 300 2HG1 ILE 40 2HG1 ILE 40 3.869 -4.632 2.938 301 1HG2 ILE 40 1HG2 ILE 40 6.456 -6.801 4.701 302 2HG2 ILE 40 2HG2 ILE 40 7.393 -6.042 3.439 303 3HG2 ILE 40 3HG2 ILE 40 6.884 -7.712 3.276 304 1HD1 ILE 40 1HD1 ILE 40 4.118 -3.973 5.297 305 2HD1 ILE 40 2HD1 ILE 40 5.362 -5.182 5.541 306 3HD1 ILE 40 3HD1 ILE 40 3.713 -5.679 5.185 307 H LYS 41 H LYS 41 5.153 -4.897 -0.709 308 HA LYS 41 HA LYS 41 7.778 -3.499 -0.423 309 1HB LYS 41 1HB LYS 41 5.981 -3.853 -2.851 310 2HB LYS 41 2HB LYS 41 7.512 -2.996 -2.843 311 1HG LYS 41 1HG LYS 41 8.692 -5.081 -2.207 312 2HG LYS 41 2HG LYS 41 7.159 -5.928 -2.118 313 1HD LYS 41 1HD LYS 41 8.220 -6.462 -4.246 314 2HD LYS 41 2HD LYS 41 6.785 -5.503 -4.552 315 1HE LYS 41 1HE LYS 41 8.189 -3.467 -4.832 316 2HE LYS 41 2HE LYS 41 9.632 -4.402 -4.462 317 1HZ LYS 41 1HZ LYS 41 7.790 -4.937 -6.717 318 2HZ LYS 41 2HZ LYS 41 9.250 -5.741 -6.390 319 3HZ LYS 41 3HZ LYS 41 9.264 -4.101 -6.836 320 H VAL 42 H VAL 42 7.866 -1.268 -0.883 321 HA VAL 42 HA VAL 42 5.338 0.236 -0.890 322 HB VAL 42 HB VAL 42 7.570 0.655 1.128 323 1HG1 VAL 42 1HG1 VAL 42 6.404 2.772 0.433 324 2HG1 VAL 42 2HG1 VAL 42 5.999 2.367 2.092 325 3HG1 VAL 42 3HG1 VAL 42 4.853 2.035 0.800 326 1HG2 VAL 42 1HG2 VAL 42 6.200 -1.316 1.766 327 2HG2 VAL 42 2HG2 VAL 42 4.729 -0.369 1.598 328 3HG2 VAL 42 3HG2 VAL 42 5.885 0.010 2.863 329 H SER 43 H SER 43 5.474 1.966 -2.128 330 HA SER 43 HA SER 43 8.162 2.757 -3.200 331 1HB SER 43 1HB SER 43 6.624 1.800 -4.924 332 2HB SER 43 2HB SER 43 5.418 3.024 -4.513 333 HG SER 43 HG SER 43 6.829 4.614 -5.116 334 H LEU 44 H LEU 44 8.759 4.809 -3.078 335 HA LEU 44 HA LEU 44 7.652 6.577 -1.163 336 1HB LEU 44 1HB LEU 44 9.454 7.249 -3.528 337 2HB LEU 44 2HB LEU 44 9.232 8.257 -2.114 338 HG LEU 44 HG LEU 44 10.416 5.433 -2.068 339 1HD1 LEU 44 1HD1 LEU 44 11.758 8.154 -1.763 340 2HD1 LEU 44 2HD1 LEU 44 11.915 7.090 -3.151 341 3HD1 LEU 44 3HD1 LEU 44 12.555 6.598 -1.593 342 1HD2 LEU 44 1HD2 LEU 44 10.198 7.529 0.147 343 2HD2 LEU 44 2HD2 LEU 44 11.015 5.980 0.284 344 3HD2 LEU 44 3HD2 LEU 44 9.278 6.034 0.082 345 H ASP 45 H ASP 45 6.746 6.038 -4.394 346 HA ASP 45 HA ASP 45 5.551 8.598 -4.991 347 1HB ASP 45 1HB ASP 45 5.015 5.813 -6.143 348 2HB ASP 45 2HB ASP 45 4.462 7.318 -6.862 349 H ASN 46 H ASN 46 4.399 9.102 -3.161 350 HA ASN 46 HA ASN 46 2.602 9.207 -1.685 351 1HB ASN 46 1HB ASN 46 1.165 8.069 -4.149 352 2HB ASN 46 2HB ASN 46 0.386 8.877 -2.796 353 1HD2 ASN 46 1HD2 ASN 46 2.737 9.416 -5.424 354 2HD2 ASN 46 2HD2 ASN 46 2.509 11.097 -5.496 355 H GLN 47 H GLN 47 4.101 7.178 -1.076 356 HA GLN 47 HA GLN 47 4.314 5.030 -0.256 357 1HB GLN 47 1HB GLN 47 3.136 6.571 1.417 358 2HB GLN 47 2HB GLN 47 1.632 5.887 0.873 359 1HG GLN 47 1HG GLN 47 2.132 4.713 2.888 360 2HG GLN 47 2HG GLN 47 2.562 3.571 1.641 361 1HE2 GLN 47 1HE2 GLN 47 5.063 5.704 1.373 362 2HE2 GLN 47 2HE2 GLN 47 6.121 5.033 2.517 363 H GLU 48 H GLU 48 3.523 4.738 -2.716 364 HA GLU 48 HA GLU 48 1.121 3.103 -2.996 365 1HB GLU 48 1HB GLU 48 1.994 4.345 -4.941 366 2HB GLU 48 2HB GLU 48 3.530 3.519 -4.854 367 1HG GLU 48 1HG GLU 48 2.383 1.351 -5.373 368 2HG GLU 48 2HG GLU 48 0.838 2.179 -5.390 369 H ALA 49 H ALA 49 1.212 1.550 -1.560 370 HA ALA 49 HA ALA 49 3.545 -0.197 -1.284 371 1HB ALA 49 1HB ALA 49 2.272 -1.126 0.616 372 2HB ALA 49 2HB ALA 49 0.886 -0.141 0.157 373 3HB ALA 49 3HB ALA 49 2.373 0.624 0.695 374 H THR 50 H THR 50 3.830 -2.053 -2.189 375 HA THR 50 HA THR 50 1.502 -3.423 -3.509 376 HB THR 50 HB THR 50 4.488 -3.522 -4.264 377 HG1 THR 50 HG1 THR 50 3.515 -2.358 -6.049 378 1HG2 THR 50 1HG2 THR 50 3.097 -5.607 -4.925 379 2HG2 THR 50 2HG2 THR 50 3.634 -4.663 -6.302 380 3HG2 THR 50 3HG2 THR 50 1.976 -4.528 -5.737 381 H ILE 51 H ILE 51 0.859 -4.572 -1.789 382 HA ILE 51 HA ILE 51 2.712 -6.385 -0.373 383 HB ILE 51 HB ILE 51 -0.250 -5.774 0.031 384 1HG1 ILE 51 1HG1 ILE 51 0.427 -4.868 2.184 385 2HG1 ILE 51 2HG1 ILE 51 2.114 -5.211 1.855 386 1HG2 ILE 51 1HG2 ILE 51 -0.094 -7.129 2.103 387 2HG2 ILE 51 2HG2 ILE 51 1.540 -7.607 1.669 388 3HG2 ILE 51 3HG2 ILE 51 0.175 -8.123 0.686 389 1HD1 ILE 51 1HD1 ILE 51 2.081 -3.573 0.013 390 2HD1 ILE 51 2HD1 ILE 51 1.553 -2.861 1.522 391 3HD1 ILE 51 3HD1 ILE 51 0.362 -3.291 0.298 392 H VAL 52 H VAL 52 2.679 -8.550 -0.494 393 HA VAL 52 HA VAL 52 0.860 -9.850 -2.419 394 HB VAL 52 HB VAL 52 3.727 -10.581 -1.748 395 1HG1 VAL 52 1HG1 VAL 52 1.787 -11.694 -3.774 396 2HG1 VAL 52 2HG1 VAL 52 2.388 -12.491 -2.327 397 3HG1 VAL 52 3HG1 VAL 52 3.491 -12.127 -3.647 398 1HG2 VAL 52 1HG2 VAL 52 4.269 -9.796 -4.057 399 2HG2 VAL 52 2HG2 VAL 52 3.639 -8.478 -3.082 400 3HG2 VAL 52 3HG2 VAL 52 2.610 -9.258 -4.264 401 H TYR 53 H TYR 53 -0.004 -11.746 -1.680 402 HA TYR 53 HA TYR 53 0.930 -12.993 0.778 403 1HB TYR 53 1HB TYR 53 -1.100 -12.557 2.118 404 2HB TYR 53 2HB TYR 53 -0.251 -11.077 1.730 405 HD1 TYR 53 HD1 TYR 53 -1.170 -9.624 -0.184 406 HD2 TYR 53 HD2 TYR 53 -3.375 -12.813 1.576 407 HE1 TYR 53 HE1 TYR 53 -3.247 -8.665 -1.028 408 HE2 TYR 53 HE2 TYR 53 -5.453 -11.853 0.717 409 HH TYR 53 HH TYR 53 -5.661 -8.712 -0.485 410 H GLN 54 H GLN 54 -0.341 -14.752 1.451 411 HA GLN 54 HA GLN 54 -1.165 -16.432 -0.742 412 1HB GLN 54 1HB GLN 54 -1.390 -16.800 2.267 413 2HB GLN 54 2HB GLN 54 -1.607 -18.086 1.087 414 1HG GLN 54 1HG GLN 54 0.703 -18.015 0.435 415 2HG GLN 54 2HG GLN 54 0.966 -16.457 1.205 416 1HE2 GLN 54 1HE2 GLN 54 0.998 -16.386 3.548 417 2HE2 GLN 54 2HE2 GLN 54 1.332 -17.757 4.478 418 HA PRO 55 HA PRO 55 -5.358 -14.980 -0.901 419 1HB PRO 55 1HB PRO 55 -6.550 -17.378 -1.871 420 2HB PRO 55 2HB PRO 55 -5.948 -16.033 -2.827 421 1HG PRO 55 1HG PRO 55 -4.723 -18.673 -2.363 422 2HG PRO 55 2HG PRO 55 -4.382 -17.502 -3.630 423 1HD PRO 55 1HD PRO 55 -2.721 -18.038 -1.409 424 2HD PRO 55 2HD PRO 55 -2.611 -16.614 -2.464 425 H HIS 56 H HIS 56 -7.367 -15.229 0.087 426 HA HIS 56 HA HIS 56 -8.760 -15.499 1.881 427 1HB HIS 56 1HB HIS 56 -9.446 -17.789 2.383 428 2HB HIS 56 2HB HIS 56 -9.130 -17.653 0.668 429 HD1 HIS 56 HD1 HIS 56 -7.684 -19.469 -0.184 430 HD2 HIS 56 HD2 HIS 56 -7.011 -18.959 3.814 431 HE1 HIS 56 HE1 HIS 56 -6.084 -21.223 0.484 432 H LEU 57 H LEU 57 -5.562 -15.593 2.611 433 HA LEU 57 HA LEU 57 -5.739 -16.735 5.271 434 1HB LEU 57 1HB LEU 57 -3.632 -15.199 3.733 435 2HB LEU 57 2HB LEU 57 -3.479 -15.252 5.468 436 HG LEU 57 HG LEU 57 -2.141 -17.046 4.400 437 1HD1 LEU 57 1HD1 LEU 57 -4.504 -18.182 5.964 438 2HD1 LEU 57 2HD1 LEU 57 -3.059 -17.469 6.663 439 3HD1 LEU 57 3HD1 LEU 57 -2.952 -18.954 5.732 440 1HD2 LEU 57 1HD2 LEU 57 -3.515 -17.441 2.412 441 2HD2 LEU 57 2HD2 LEU 57 -4.782 -18.139 3.409 442 3HD2 LEU 57 3HD2 LEU 57 -3.226 -18.938 3.273 443 H ILE 58 H ILE 58 -5.772 -13.529 3.889 444 HA ILE 58 HA ILE 58 -7.395 -12.459 6.002 445 HB ILE 58 HB ILE 58 -5.252 -12.544 7.205 446 1HG1 ILE 58 1HG1 ILE 58 -5.887 -9.627 6.583 447 2HG1 ILE 58 2HG1 ILE 58 -6.959 -10.636 7.537 448 1HG2 ILE 58 1HG2 ILE 58 -3.732 -12.296 5.217 449 2HG2 ILE 58 2HG2 ILE 58 -3.332 -11.105 6.441 450 3HG2 ILE 58 3HG2 ILE 58 -4.244 -10.631 5.024 451 1HD1 ILE 58 1HD1 ILE 58 -5.457 -9.321 8.967 452 2HD1 ILE 58 2HD1 ILE 58 -4.051 -10.046 8.200 453 3HD1 ILE 58 3HD1 ILE 58 -5.145 -11.039 9.155 454 H SER 59 H SER 59 -7.855 -10.204 5.749 455 HA SER 59 HA SER 59 -7.759 -9.320 2.901 456 1HB SER 59 1HB SER 59 -9.571 -7.728 3.678 457 2HB SER 59 2HB SER 59 -10.001 -9.436 3.875 458 HG SER 59 HG SER 59 -10.286 -8.014 5.773 459 H VAL 60 H VAL 60 -6.086 -8.219 2.488 460 HA VAL 60 HA VAL 60 -4.716 -6.531 4.372 461 HB VAL 60 HB VAL 60 -4.384 -6.891 1.368 462 1HG1 VAL 60 1HG1 VAL 60 -2.453 -5.690 3.426 463 2HG1 VAL 60 2HG1 VAL 60 -3.304 -4.774 2.199 464 3HG1 VAL 60 3HG1 VAL 60 -2.088 -5.941 1.726 465 1HG2 VAL 60 1HG2 VAL 60 -2.509 -8.409 1.998 466 2HG2 VAL 60 2HG2 VAL 60 -4.047 -8.999 2.604 467 3HG2 VAL 60 3HG2 VAL 60 -2.918 -8.215 3.690 468 H GLU 61 H GLU 61 -7.088 -6.220 1.936 469 HA GLU 61 HA GLU 61 -6.922 -3.394 1.563 470 1HB GLU 61 1HB GLU 61 -7.926 -5.050 -0.073 471 2HB GLU 61 2HB GLU 61 -9.259 -5.294 1.043 472 1HG GLU 61 1HG GLU 61 -9.905 -2.948 0.863 473 2HG GLU 61 2HG GLU 61 -8.475 -2.599 -0.103 474 H GLU 62 H GLU 62 -8.176 -5.404 3.968 475 HA GLU 62 HA GLU 62 -10.134 -3.506 5.030 476 1HB GLU 62 1HB GLU 62 -10.247 -6.047 5.148 477 2HB GLU 62 2HB GLU 62 -8.876 -6.007 6.230 478 1HG GLU 62 1HG GLU 62 -10.173 -4.636 7.865 479 2HG GLU 62 2HG GLU 62 -11.575 -4.723 6.806 480 H MET 63 H MET 63 -6.861 -4.707 5.694 481 HA MET 63 HA MET 63 -6.417 -3.154 7.965 482 1HB MET 63 1HB MET 63 -5.196 -5.232 7.114 483 2HB MET 63 2HB MET 63 -4.380 -4.129 6.028 484 1HG MET 63 1HG MET 63 -2.911 -4.277 7.824 485 2HG MET 63 2HG MET 63 -3.744 -2.776 8.100 486 1HE MET 63 1HE MET 63 -5.442 -2.326 9.620 487 2HE MET 63 2HE MET 63 -5.531 -2.996 11.231 488 3HE MET 63 3HE MET 63 -6.521 -3.696 9.941 489 H LYS 64 H LYS 64 -6.002 -2.556 4.528 490 HA LYS 64 HA LYS 64 -4.498 -0.096 4.969 491 1HB LYS 64 1HB LYS 64 -4.376 0.049 2.590 492 2HB LYS 64 2HB LYS 64 -4.386 -1.666 2.900 493 1HG LYS 64 1HG LYS 64 -5.966 -1.604 1.235 494 2HG LYS 64 2HG LYS 64 -7.020 -1.357 2.613 495 1HD LYS 64 1HD LYS 64 -6.752 1.179 2.207 496 2HD LYS 64 2HD LYS 64 -5.857 0.746 0.775 497 1HE LYS 64 1HE LYS 64 -8.222 1.201 0.198 498 2HE LYS 64 2HE LYS 64 -7.874 -0.494 -0.079 499 1HZ LYS 64 1HZ LYS 64 -9.881 0.496 1.450 500 2HZ LYS 64 2HZ LYS 64 -8.730 -0.003 2.594 501 3HZ LYS 64 3HZ LYS 64 -9.319 -1.108 1.447 502 H LYS 65 H LYS 65 -7.877 -0.953 4.971 503 HA LYS 65 HA LYS 65 -8.966 1.482 4.066 504 1HB LYS 65 1HB LYS 65 -10.260 -0.609 4.498 505 2HB LYS 65 2HB LYS 65 -9.930 -0.460 6.207 506 1HG LYS 65 1HG LYS 65 -12.215 0.314 5.667 507 2HG LYS 65 2HG LYS 65 -11.246 1.595 6.368 508 1HD LYS 65 1HD LYS 65 -10.838 2.554 4.130 509 2HD LYS 65 2HD LYS 65 -11.703 1.227 3.366 510 1HE LYS 65 1HE LYS 65 -13.780 1.956 4.551 511 2HE LYS 65 2HE LYS 65 -12.880 3.265 5.311 512 1HZ LYS 65 1HZ LYS 65 -12.277 3.893 2.924 513 2HZ LYS 65 2HZ LYS 65 -13.837 4.255 3.492 514 3HZ LYS 65 3HZ LYS 65 -13.592 2.912 2.481 515 H GLN 66 H GLN 66 -7.438 0.574 7.030 516 HA GLN 66 HA GLN 66 -8.261 2.740 8.653 517 1HB GLN 66 1HB GLN 66 -5.671 1.134 8.800 518 2HB GLN 66 2HB GLN 66 -6.488 1.919 10.135 519 1HG GLN 66 1HG GLN 66 -7.591 -0.450 8.536 520 2HG GLN 66 2HG GLN 66 -6.924 -0.526 10.140 521 1HE2 GLN 66 1HE2 GLN 66 -8.151 0.620 11.888 522 2HE2 GLN 66 2HE2 GLN 66 -9.817 0.885 11.699 523 H ILE 67 H ILE 67 -5.718 2.254 6.325 524 HA ILE 67 HA ILE 67 -4.129 4.556 6.889 525 HB ILE 67 HB ILE 67 -4.585 3.054 4.295 526 1HG1 ILE 67 1HG1 ILE 67 -2.396 2.758 6.391 527 2HG1 ILE 67 2HG1 ILE 67 -3.753 1.664 6.258 528 1HG2 ILE 67 1HG2 ILE 67 -2.356 4.941 5.110 529 2HG2 ILE 67 2HG2 ILE 67 -3.566 5.206 3.860 530 3HG2 ILE 67 3HG2 ILE 67 -2.356 3.972 3.643 531 1HD1 ILE 67 1HD1 ILE 67 -1.818 0.678 5.110 532 2HD1 ILE 67 2HD1 ILE 67 -1.628 2.100 4.104 533 3HD1 ILE 67 3HD1 ILE 67 -3.041 1.083 3.920 534 H GLU 68 H GLU 68 -7.010 3.932 5.079 535 HA GLU 68 HA GLU 68 -7.142 6.581 3.836 536 1HB GLU 68 1HB GLU 68 -9.255 4.440 4.126 537 2HB GLU 68 2HB GLU 68 -9.319 5.815 3.060 538 1HG GLU 68 1HG GLU 68 -7.221 4.897 1.905 539 2HG GLU 68 2HG GLU 68 -7.322 3.494 2.943 540 H ALA 69 H ALA 69 -8.167 5.122 6.735 541 HA ALA 69 HA ALA 69 -10.239 7.056 7.383 542 1HB ALA 69 1HB ALA 69 -8.725 5.109 9.153 543 2HB ALA 69 2HB ALA 69 -10.241 4.775 8.328 544 3HB ALA 69 3HB ALA 69 -10.180 5.981 9.609 545 H MET 70 H MET 70 -6.827 6.614 8.132 546 HA MET 70 HA MET 70 -6.673 8.762 9.976 547 1HB MET 70 1HB MET 70 -4.261 8.274 9.858 548 2HB MET 70 2HB MET 70 -5.214 6.817 10.042 549 1HG MET 70 1HG MET 70 -5.018 6.325 7.731 550 2HG MET 70 2HG MET 70 -4.123 7.785 7.405 551 1HE MET 70 1HE MET 70 -1.682 8.130 7.751 552 2HE MET 70 2HE MET 70 -1.901 7.030 6.366 553 3HE MET 70 3HE MET 70 -0.635 6.738 7.547 554 H GLY 71 H GLY 71 -6.820 8.650 6.597 555 1HA GLY 71 1HA GLY 71 -7.172 10.948 5.638 556 2HA GLY 71 2HA GLY 71 -5.684 11.420 6.423 557 H PHE 72 H PHE 72 -5.342 8.366 5.092 558 HA PHE 72 HA PHE 72 -4.092 9.500 2.608 559 1HB PHE 72 1HB PHE 72 -3.203 7.141 4.342 560 2HB PHE 72 2HB PHE 72 -2.647 7.400 2.729 561 HD1 PHE 72 HD1 PHE 72 -3.016 9.422 5.902 562 HD2 PHE 72 HD2 PHE 72 -0.689 8.572 2.432 563 HE1 PHE 72 HE1 PHE 72 -1.285 10.990 6.655 564 HE2 PHE 72 HE2 PHE 72 1.021 10.137 3.187 565 HZ PHE 72 HZ PHE 72 0.731 11.344 5.285 566 HA PRO 73 HA PRO 73 -7.620 6.857 1.103 567 1HB PRO 73 1HB PRO 73 -7.187 8.522 -1.280 568 2HB PRO 73 2HB PRO 73 -8.670 8.157 -0.406 569 1HG PRO 73 1HG PRO 73 -7.297 10.602 -0.290 570 2HG PRO 73 2HG PRO 73 -8.500 10.066 0.867 571 1HD PRO 73 1HD PRO 73 -5.593 10.295 1.259 572 2HD PRO 73 2HD PRO 73 -6.865 10.017 2.464 573 H ALA 74 H ALA 74 -7.240 5.111 0.052 574 HA ALA 74 HA ALA 74 -4.747 4.793 -1.561 575 1HB ALA 74 1HB ALA 74 -6.065 2.801 0.307 576 2HB ALA 74 2HB ALA 74 -4.577 3.671 0.634 577 3HB ALA 74 3HB ALA 74 -4.621 2.478 -0.653 578 H PHE 75 H PHE 75 -5.144 4.564 -3.477 579 HA PHE 75 HA PHE 75 -7.688 3.690 -4.576 580 1HB PHE 75 1HB PHE 75 -5.088 4.387 -6.027 581 2HB PHE 75 2HB PHE 75 -6.704 4.377 -6.720 582 HD1 PHE 75 HD1 PHE 75 -4.252 6.439 -5.238 583 HD2 PHE 75 HD2 PHE 75 -8.479 5.902 -5.393 584 HE1 PHE 75 HE1 PHE 75 -4.574 8.752 -4.499 585 HE2 PHE 75 HE2 PHE 75 -8.794 8.219 -4.654 586 HZ PHE 75 HZ PHE 75 -6.845 9.649 -4.206 587 H VAL 76 H VAL 76 -7.439 1.591 -3.479 588 HA VAL 76 HA VAL 76 -5.624 -0.382 -4.721 589 HB VAL 76 HB VAL 76 -7.830 -0.720 -2.608 590 1HG1 VAL 76 1HG1 VAL 76 -5.539 -2.582 -3.410 591 2HG1 VAL 76 2HG1 VAL 76 -7.231 -2.852 -3.789 592 3HG1 VAL 76 3HG1 VAL 76 -6.696 -2.880 -2.122 593 1HG2 VAL 76 1HG2 VAL 76 -6.002 0.783 -1.842 594 2HG2 VAL 76 2HG2 VAL 76 -4.821 -0.420 -2.322 595 3HG2 VAL 76 3HG2 VAL 76 -5.920 -0.753 -0.998 596 H LYS 77 H LYS 77 -6.333 -0.320 -6.789 597 HA LYS 77 HA LYS 77 -8.842 -1.784 -7.356 598 1HB LYS 77 1HB LYS 77 -9.495 -0.040 -9.064 599 2HB LYS 77 2HB LYS 77 -9.622 0.505 -7.408 600 1HG LYS 77 1HG LYS 77 -7.351 1.617 -7.650 601 2HG LYS 77 2HG LYS 77 -7.346 1.185 -9.344 602 1HD LYS 77 1HD LYS 77 -9.435 2.933 -7.983 603 2HD LYS 77 2HD LYS 77 -8.117 3.519 -8.972 604 1HE LYS 77 1HE LYS 77 -9.028 2.271 -10.937 605 2HE LYS 77 2HE LYS 77 -10.372 1.714 -9.946 606 1HZ LYS 77 1HZ LYS 77 -9.892 4.311 -11.103 607 2HZ LYS 77 2HZ LYS 77 -10.501 4.320 -9.517 608 3HZ LYS 77 3HZ LYS 77 -11.352 3.516 -10.745 609 H LYS 78 H LYS 78 -7.086 -3.294 -7.741 610 HA LYS 78 HA LYS 78 -5.266 -3.082 -9.899 611 1HB LYS 78 1HB LYS 78 -5.086 -4.723 -8.043 612 2HB LYS 78 2HB LYS 78 -6.506 -5.564 -8.633 613 1HG LYS 78 1HG LYS 78 -5.279 -5.975 -10.827 614 2HG LYS 78 2HG LYS 78 -3.848 -5.263 -10.108 615 1HD LYS 78 1HD LYS 78 -5.315 -7.714 -9.034 616 2HD LYS 78 2HD LYS 78 -3.855 -7.766 -10.000 617 1HE LYS 78 1HE LYS 78 -2.620 -6.524 -8.234 618 2HE LYS 78 2HE LYS 78 -4.080 -6.453 -7.256 619 1HZ LYS 78 1HZ LYS 78 -3.077 -8.281 -6.416 620 2HZ LYS 78 2HZ LYS 78 -2.390 -8.748 -7.895 621 3HZ LYS 78 3HZ LYS 78 -4.044 -9.006 -7.608 622 H GLN 79 H GLN 79 -8.440 -4.542 -9.617 623 HA GLN 79 HA GLN 79 -8.870 -4.358 -12.562 624 1HB GLN 79 1HB GLN 79 -9.971 -6.651 -12.418 625 2HB GLN 79 2HB GLN 79 -8.231 -6.649 -12.223 626 1HG GLN 79 1HG GLN 79 -8.492 -6.784 -9.740 627 2HG GLN 79 2HG GLN 79 -10.239 -6.789 -9.908 628 1HE2 GLN 79 1HE2 GLN 79 -11.239 -8.682 -10.932 629 2HE2 GLN 79 2HE2 GLN 79 -10.403 -10.157 -11.011 630 HA PRO 80 HA PRO 80 -12.098 -2.531 -9.793 631 1HB PRO 80 1HB PRO 80 -12.460 -0.203 -11.320 632 2HB PRO 80 2HB PRO 80 -11.412 -0.377 -9.922 633 1HG PRO 80 1HG PRO 80 -10.695 -0.233 -12.785 634 2HG PRO 80 2HG PRO 80 -9.677 0.057 -11.385 635 1HD PRO 80 1HD PRO 80 -9.653 -2.266 -13.027 636 2HD PRO 80 2HD PRO 80 -8.818 -2.069 -11.479 637 H LYS 81 H LYS 81 -12.134 -2.454 -13.288 638 HA LYS 81 HA LYS 81 -13.709 -3.033 -14.885 639 1HB LYS 81 1HB LYS 81 -13.951 -5.061 -13.263 640 2HB LYS 81 2HB LYS 81 -15.356 -4.229 -12.618 641 1HG LYS 81 1HG LYS 81 -16.500 -4.310 -14.776 642 2HG LYS 81 2HG LYS 81 -15.061 -4.916 -15.565 643 1HD LYS 81 1HD LYS 81 -16.543 -6.783 -15.255 644 2HD LYS 81 2HD LYS 81 -15.240 -6.993 -14.111 645 1HE LYS 81 1HE LYS 81 -17.926 -5.753 -13.385 646 2HE LYS 81 2HE LYS 81 -17.544 -7.449 -13.158 647 1HZ LYS 81 1HZ LYS 81 -16.871 -6.791 -11.170 648 2HZ LYS 81 2HZ LYS 81 -16.725 -5.163 -11.626 649 3HZ LYS 81 3HZ LYS 81 -15.468 -6.254 -11.962 650 H TYR 82 H TYR 82 -14.144 -0.813 -12.591 651 HA TYR 82 HA TYR 82 -16.599 0.312 -13.840 652 1HB TYR 82 1HB TYR 82 -16.066 0.294 -10.828 653 2HB TYR 82 2HB TYR 82 -17.486 0.946 -11.624 654 HD1 TYR 82 HD1 TYR 82 -18.658 -0.896 -13.301 655 HD2 TYR 82 HD2 TYR 82 -16.335 -1.802 -9.847 656 HE1 TYR 82 HE1 TYR 82 -19.738 -3.087 -13.144 657 HE2 TYR 82 HE2 TYR 82 -17.417 -3.988 -9.694 658 HH TYR 82 HH TYR 82 -18.966 -5.340 -10.509 659 H LEU 83 H LEU 83 -16.845 2.635 -12.947 660 HA LEU 83 HA LEU 83 -14.303 4.041 -13.491 661 1HB LEU 83 1HB LEU 83 -17.123 5.128 -13.031 662 2HB LEU 83 2HB LEU 83 -15.768 6.051 -13.645 663 HG LEU 83 HG LEU 83 -17.000 3.635 -15.063 664 1HD1 LEU 83 1HD1 LEU 83 -17.898 5.327 -16.647 665 2HD1 LEU 83 2HD1 LEU 83 -17.234 6.619 -15.659 666 3HD1 LEU 83 3HD1 LEU 83 -18.520 5.601 -15.029 667 1HD2 LEU 83 1HD2 LEU 83 -15.602 4.365 -16.988 668 2HD2 LEU 83 2HD2 LEU 83 -14.581 3.972 -15.622 669 3HD2 LEU 83 3HD2 LEU 83 -14.908 5.652 -16.015 670 H LYS 84 H LYS 84 -14.209 2.673 -11.148 671 HA LYS 84 HA LYS 84 -13.703 4.804 -9.207 672 1HB LYS 84 1HB LYS 84 -16.109 4.206 -8.851 673 2HB LYS 84 2HB LYS 84 -15.652 2.537 -8.572 674 1HG LYS 84 1HG LYS 84 -14.271 3.242 -6.605 675 2HG LYS 84 2HG LYS 84 -14.730 4.909 -6.880 676 1HD LYS 84 1HD LYS 84 -16.674 2.640 -6.261 677 2HD LYS 84 2HD LYS 84 -16.078 3.788 -5.081 678 1HE LYS 84 1HE LYS 84 -17.105 5.660 -6.403 679 2HE LYS 84 2HE LYS 84 -17.760 4.482 -7.533 680 1HZ LYS 84 1HZ LYS 84 -18.913 3.436 -5.661 681 2HZ LYS 84 2HZ LYS 84 -19.411 5.033 -5.952 682 3HZ LYS 84 3HZ LYS 84 -18.373 4.690 -4.651 Start of MODEL 20 1 1H GLY 1 1H GLY 1 6.084 -15.359 6.286 2 2H GLY 1 2H GLY 1 7.364 -15.077 5.207 3 3H GLY 1 3H GLY 1 7.092 -16.642 5.810 4 1HA GLY 1 1HA GLY 1 4.907 -16.655 4.688 5 2HA GLY 1 2HA GLY 1 5.364 -15.116 3.954 6 H SER 2 H SER 2 6.743 -18.321 4.503 7 HA SER 2 HA SER 2 8.361 -18.209 2.063 8 1HB SER 2 1HB SER 2 7.922 -20.448 4.104 9 2HB SER 2 2HB SER 2 9.132 -20.479 2.808 10 HG SER 2 HG SER 2 8.857 -18.544 4.861 11 H MET 3 H MET 3 7.064 -18.194 0.304 12 HA MET 3 HA MET 3 4.758 -19.930 -0.015 13 1HB MET 3 1HB MET 3 4.725 -19.059 -2.350 14 2HB MET 3 2HB MET 3 4.882 -17.757 -1.196 15 1HG MET 3 1HG MET 3 7.359 -17.744 -1.590 16 2HG MET 3 2HG MET 3 7.148 -18.995 -2.783 17 1HE MET 3 1HE MET 3 6.050 -14.601 -3.124 18 2HE MET 3 2HE MET 3 7.495 -15.171 -2.287 19 3HE MET 3 3HE MET 3 5.872 -15.603 -1.704 20 H ALA 4 H ALA 4 4.547 -21.695 -1.373 21 HA ALA 4 HA ALA 4 6.816 -22.904 -2.762 22 1HB ALA 4 1HB ALA 4 5.643 -24.275 -0.290 23 2HB ALA 4 2HB ALA 4 7.263 -23.607 -0.398 24 3HB ALA 4 3HB ALA 4 6.818 -24.990 -1.382 25 H GLN 5 H GLN 5 3.679 -23.450 -1.305 26 HA GLN 5 HA GLN 5 2.590 -24.457 -3.890 27 1HB GLN 5 1HB GLN 5 2.151 -25.724 -1.146 28 2HB GLN 5 2HB GLN 5 1.318 -26.204 -2.616 29 1HG GLN 5 1HG GLN 5 3.529 -26.802 -3.652 30 2HG GLN 5 2HG GLN 5 4.335 -26.369 -2.149 31 1HE2 GLN 5 1HE2 GLN 5 3.996 -27.743 -0.275 32 2HE2 GLN 5 2HE2 GLN 5 3.354 -29.305 -0.436 33 H ALA 6 H ALA 6 2.232 -22.808 -0.890 34 HA ALA 6 HA ALA 6 -0.605 -22.351 -0.954 35 1HB ALA 6 1HB ALA 6 -0.103 -20.574 0.721 36 2HB ALA 6 2HB ALA 6 1.612 -20.726 0.365 37 3HB ALA 6 3HB ALA 6 0.746 -22.065 1.102 38 H GLY 7 H GLY 7 -1.700 -21.148 -2.308 39 1HA GLY 7 1HA GLY 7 -0.539 -19.521 -4.360 40 2HA GLY 7 2HA GLY 7 -2.250 -19.591 -3.954 41 H GLU 8 H GLU 8 -0.940 -17.269 -4.725 42 HA GLU 8 HA GLU 8 -1.373 -15.563 -2.344 43 1HB GLU 8 1HB GLU 8 0.708 -14.279 -2.830 44 2HB GLU 8 2HB GLU 8 1.037 -15.957 -2.441 45 1HG GLU 8 1HG GLU 8 1.302 -16.521 -4.827 46 2HG GLU 8 2HG GLU 8 0.860 -14.887 -5.294 47 H VAL 9 H VAL 9 -1.190 -13.239 -3.010 48 HA VAL 9 HA VAL 9 -2.396 -12.678 -5.667 49 HB VAL 9 HB VAL 9 -4.015 -11.081 -4.421 50 1HG1 VAL 9 1HG1 VAL 9 -5.595 -12.907 -3.860 51 2HG1 VAL 9 2HG1 VAL 9 -4.282 -14.072 -3.871 52 3HG1 VAL 9 3HG1 VAL 9 -4.752 -13.260 -5.357 53 1HG2 VAL 9 1HG2 VAL 9 -2.811 -11.111 -2.163 54 2HG2 VAL 9 2HG2 VAL 9 -3.240 -12.801 -2.006 55 3HG2 VAL 9 3HG2 VAL 9 -4.489 -11.588 -2.039 56 H VAL 10 H VAL 10 -1.066 -11.383 -6.601 57 HA VAL 10 HA VAL 10 0.649 -9.503 -5.098 58 HB VAL 10 HB VAL 10 1.818 -9.257 -7.335 59 1HG1 VAL 10 1HG1 VAL 10 2.642 -11.597 -7.521 60 2HG1 VAL 10 2HG1 VAL 10 1.295 -12.163 -6.551 61 3HG1 VAL 10 3HG1 VAL 10 2.515 -11.121 -5.843 62 1HG2 VAL 10 1HG2 VAL 10 -0.177 -9.579 -8.841 63 2HG2 VAL 10 2HG2 VAL 10 -0.272 -11.256 -8.343 64 3HG2 VAL 10 3HG2 VAL 10 1.117 -10.682 -9.245 65 H LEU 11 H LEU 11 -1.691 -8.631 -4.706 66 HA LEU 11 HA LEU 11 -2.781 -6.858 -6.722 67 1HB LEU 11 1HB LEU 11 -3.218 -6.737 -3.716 68 2HB LEU 11 2HB LEU 11 -4.243 -6.023 -4.942 69 HG LEU 11 HG LEU 11 -3.771 -9.000 -4.498 70 1HD1 LEU 11 1HD1 LEU 11 -6.250 -7.265 -4.138 71 2HD1 LEU 11 2HD1 LEU 11 -5.249 -7.899 -2.847 72 3HD1 LEU 11 3HD1 LEU 11 -6.171 -8.998 -3.860 73 1HD2 LEU 11 1HD2 LEU 11 -5.499 -9.355 -6.261 74 2HD2 LEU 11 2HD2 LEU 11 -4.108 -8.535 -6.936 75 3HD2 LEU 11 3HD2 LEU 11 -5.564 -7.626 -6.559 76 H LYS 12 H LYS 12 -2.882 -4.665 -6.733 77 HA LYS 12 HA LYS 12 -0.594 -3.224 -5.488 78 1HB LYS 12 1HB LYS 12 -0.836 -1.661 -7.534 79 2HB LYS 12 2HB LYS 12 -0.095 -3.216 -7.787 80 1HG LYS 12 1HG LYS 12 -3.083 -2.841 -8.218 81 2HG LYS 12 2HG LYS 12 -1.952 -2.371 -9.461 82 1HD LYS 12 1HD LYS 12 -1.699 -5.152 -8.290 83 2HD LYS 12 2HD LYS 12 -3.002 -4.833 -9.407 84 1HE LYS 12 1HE LYS 12 -1.021 -5.708 -10.594 85 2HE LYS 12 2HE LYS 12 -1.247 -4.033 -11.065 86 1HZ LYS 12 1HZ LYS 12 0.544 -4.806 -8.849 87 2HZ LYS 12 2HZ LYS 12 0.499 -3.345 -9.715 88 3HZ LYS 12 3HZ LYS 12 1.068 -4.759 -10.464 89 H MET 13 H MET 13 -0.964 -1.340 -4.562 90 HA MET 13 HA MET 13 -3.696 -0.133 -4.528 91 1HB MET 13 1HB MET 13 -1.912 -0.543 -2.103 92 2HB MET 13 2HB MET 13 -3.513 0.138 -2.084 93 1HG MET 13 1HG MET 13 -4.569 -1.902 -2.518 94 2HG MET 13 2HG MET 13 -3.154 -2.669 -3.159 95 1HE MET 13 1HE MET 13 -0.860 -3.078 -0.710 96 2HE MET 13 2HE MET 13 -1.510 -3.673 -2.237 97 3HE MET 13 3HE MET 13 -1.685 -4.648 -0.805 98 H LYS 14 H LYS 14 -3.611 2.054 -4.581 99 HA LYS 14 HA LYS 14 -0.928 3.376 -4.493 100 1HB LYS 14 1HB LYS 14 -1.871 3.042 -6.751 101 2HB LYS 14 2HB LYS 14 -3.224 4.028 -6.251 102 1HG LYS 14 1HG LYS 14 -1.716 5.968 -5.833 103 2HG LYS 14 2HG LYS 14 -0.320 4.978 -6.208 104 1HD LYS 14 1HD LYS 14 -0.857 6.362 -8.146 105 2HD LYS 14 2HD LYS 14 -1.179 4.686 -8.544 106 1HE LYS 14 1HE LYS 14 -3.606 5.032 -8.136 107 2HE LYS 14 2HE LYS 14 -3.299 6.700 -7.666 108 1HZ LYS 14 1HZ LYS 14 -2.633 5.544 -10.308 109 2HZ LYS 14 2HZ LYS 14 -2.511 7.174 -9.848 110 3HZ LYS 14 3HZ LYS 14 -4.037 6.437 -9.969 111 H VAL 15 H VAL 15 -1.159 4.030 -2.377 112 HA VAL 15 HA VAL 15 -3.366 5.433 -1.293 113 HB VAL 15 HB VAL 15 -0.555 4.742 -0.545 114 1HG1 VAL 15 1HG1 VAL 15 -0.536 7.147 0.104 115 2HG1 VAL 15 2HG1 VAL 15 -0.558 6.110 1.514 116 3HG1 VAL 15 3HG1 VAL 15 -2.031 6.902 0.998 117 1HG2 VAL 15 1HG2 VAL 15 -1.628 4.019 1.511 118 2HG2 VAL 15 2HG2 VAL 15 -2.458 3.365 0.102 119 3HG2 VAL 15 3HG2 VAL 15 -3.147 4.732 0.985 120 H GLU 16 H GLU 16 -3.132 7.546 -0.272 121 HA GLU 16 HA GLU 16 -2.121 9.648 -2.138 122 1HB GLU 16 1HB GLU 16 -4.656 9.534 -1.928 123 2HB GLU 16 2HB GLU 16 -4.496 9.691 -0.186 124 1HG GLU 16 1HG GLU 16 -3.286 11.875 -0.541 125 2HG GLU 16 2HG GLU 16 -3.567 11.711 -2.267 126 H GLY 17 H GLY 17 -0.265 10.184 -1.173 127 1HA GLY 17 1HA GLY 17 0.518 9.689 1.480 128 2HA GLY 17 2HA GLY 17 1.322 10.801 0.401 129 H MET 18 H MET 18 -1.760 11.852 0.687 130 HA MET 18 HA MET 18 -2.947 13.397 1.917 131 1HB MET 18 1HB MET 18 -1.846 12.274 3.988 132 2HB MET 18 2HB MET 18 -0.641 13.546 3.930 133 1HG MET 18 1HG MET 18 -2.428 15.255 4.042 134 2HG MET 18 2HG MET 18 -3.616 13.987 4.193 135 1HE MET 18 1HE MET 18 -3.414 12.493 7.409 136 2HE MET 18 2HE MET 18 -1.823 12.067 6.745 137 3HE MET 18 3HE MET 18 -3.248 12.126 5.711 138 H THR 19 H THR 19 0.509 14.056 2.188 139 HA THR 19 HA THR 19 0.479 16.270 0.337 140 HB THR 19 HB THR 19 -0.517 17.487 2.270 141 HG1 THR 19 HG1 THR 19 2.280 17.911 2.071 142 1HG2 THR 19 1HG2 THR 19 0.658 17.613 4.439 143 2HG2 THR 19 2HG2 THR 19 1.953 16.582 3.859 144 3HG2 THR 19 3HG2 THR 19 0.345 15.919 4.107 145 H CYS 20 H CYS 20 2.077 14.560 2.946 146 HA CYS 20 HA CYS 20 4.439 14.009 1.427 147 1HB CYS 20 1HB CYS 20 4.852 16.424 1.993 148 2HB CYS 20 2HB CYS 20 4.679 16.045 3.681 149 H HIS 21 H HIS 21 2.355 12.961 3.339 150 HA HIS 21 HA HIS 21 2.153 11.158 4.776 151 1HB HIS 21 1HB HIS 21 5.213 10.930 4.757 152 2HB HIS 21 2HB HIS 21 4.067 9.707 5.242 153 HD1 HIS 21 HD1 HIS 21 5.854 10.795 2.367 154 HD2 HIS 21 HD2 HIS 21 2.315 8.840 2.941 155 HE1 HIS 21 HE1 HIS 21 5.291 9.730 0.220 156 H SER 22 H SER 22 2.297 10.658 6.986 157 HA SER 22 HA SER 22 3.944 12.188 8.820 158 1HB SER 22 1HB SER 22 2.246 13.956 8.238 159 2HB SER 22 2HB SER 22 0.940 12.860 8.708 160 HG SER 22 HG SER 22 3.119 13.619 10.356 161 H CYS 23 H CYS 23 0.648 10.901 8.980 162 HA CYS 23 HA CYS 23 1.204 9.374 11.386 163 1HB CYS 23 1HB CYS 23 -1.175 9.352 9.519 164 2HB CYS 23 2HB CYS 23 -1.140 8.605 11.094 165 H THR 24 H THR 24 2.088 8.766 8.302 166 HA THR 24 HA THR 24 1.370 6.055 7.852 167 HB THR 24 HB THR 24 3.365 6.052 6.258 168 HG1 THR 24 HG1 THR 24 3.697 8.565 7.550 169 1HG2 THR 24 1HG2 THR 24 1.888 8.747 6.232 170 2HG2 THR 24 2HG2 THR 24 1.207 7.281 5.543 171 3HG2 THR 24 3HG2 THR 24 2.670 7.967 4.868 172 H SER 25 H SER 25 3.384 7.302 10.223 173 HA SER 25 HA SER 25 5.460 5.396 10.466 174 1HB SER 25 1HB SER 25 3.929 6.845 12.697 175 2HB SER 25 2HB SER 25 5.533 6.109 12.867 176 HG SER 25 HG SER 25 6.208 7.445 11.119 177 H THR 26 H THR 26 2.119 5.321 11.417 178 HA THR 26 HA THR 26 2.187 2.875 12.915 179 HB THR 26 HB THR 26 -0.356 3.033 12.725 180 HG1 THR 26 HG1 THR 26 -1.092 4.735 11.408 181 1HG2 THR 26 1HG2 THR 26 0.924 5.812 13.060 182 2HG2 THR 26 2HG2 THR 26 0.842 4.629 14.354 183 3HG2 THR 26 3HG2 THR 26 -0.635 5.303 13.688 184 H ILE 27 H ILE 27 1.478 3.730 9.600 185 HA ILE 27 HA ILE 27 0.486 1.280 8.621 186 HB ILE 27 HB ILE 27 2.152 3.392 7.170 187 1HG1 ILE 27 1HG1 ILE 27 -0.854 3.018 7.558 188 2HG1 ILE 27 2HG1 ILE 27 0.115 4.283 8.268 189 1HG2 ILE 27 1HG2 ILE 27 1.120 2.493 5.096 190 2HG2 ILE 27 2HG2 ILE 27 0.325 1.238 6.036 191 3HG2 ILE 27 3HG2 ILE 27 2.076 1.273 5.894 192 1HD1 ILE 27 1HD1 ILE 27 -1.078 5.158 6.317 193 2HD1 ILE 27 2HD1 ILE 27 -0.392 3.918 5.293 194 3HD1 ILE 27 3HD1 ILE 27 0.646 5.156 5.985 195 H GLU 28 H GLU 28 3.761 2.276 9.305 196 HA GLU 28 HA GLU 28 5.239 0.418 7.859 197 1HB GLU 28 1HB GLU 28 6.022 2.420 9.252 198 2HB GLU 28 2HB GLU 28 5.836 1.428 10.673 199 1HG GLU 28 1HG GLU 28 7.389 -0.245 9.717 200 2HG GLU 28 2HG GLU 28 7.613 0.803 8.315 201 H GLY 29 H GLY 29 4.401 0.261 11.245 202 1HA GLY 29 1HA GLY 29 4.924 -2.583 11.524 203 2HA GLY 29 2HA GLY 29 4.211 -1.539 12.747 204 H LYS 30 H LYS 30 2.268 -0.911 10.287 205 HA LYS 30 HA LYS 30 0.167 -2.709 11.226 206 1HB LYS 30 1HB LYS 30 -0.276 -0.328 10.546 207 2HB LYS 30 2HB LYS 30 0.184 -0.733 8.902 208 1HG LYS 30 1HG LYS 30 -1.686 -2.450 8.858 209 2HG LYS 30 2HG LYS 30 -2.195 -1.862 10.429 210 1HD LYS 30 1HD LYS 30 -2.009 -0.158 7.900 211 2HD LYS 30 2HD LYS 30 -3.492 -0.838 8.535 212 1HE LYS 30 1HE LYS 30 -3.184 0.490 10.640 213 2HE LYS 30 2HE LYS 30 -1.728 1.208 9.961 214 1HZ LYS 30 1HZ LYS 30 -4.131 1.351 8.336 215 2HZ LYS 30 2HZ LYS 30 -2.886 2.485 8.554 216 3HZ LYS 30 3HZ LYS 30 -4.094 2.309 9.734 217 H ILE 31 H ILE 31 1.689 -2.036 8.149 218 HA ILE 31 HA ILE 31 0.660 -4.325 6.782 219 HB ILE 31 HB ILE 31 2.952 -2.454 6.048 220 1HG1 ILE 31 1HG1 ILE 31 -0.017 -2.467 5.272 221 2HG1 ILE 31 2HG1 ILE 31 0.718 -1.330 6.379 222 1HG2 ILE 31 1HG2 ILE 31 2.557 -3.290 3.730 223 2HG2 ILE 31 2HG2 ILE 31 1.314 -4.376 4.339 224 3HG2 ILE 31 3HG2 ILE 31 2.997 -4.620 4.768 225 1HD1 ILE 31 1HD1 ILE 31 0.476 -0.306 4.160 226 2HD1 ILE 31 2HD1 ILE 31 1.401 -1.590 3.415 227 3HD1 ILE 31 3HD1 ILE 31 2.182 -0.487 4.536 228 H GLY 32 H GLY 32 3.587 -3.754 8.589 229 1HA GLY 32 1HA GLY 32 5.006 -6.048 7.612 230 2HA GLY 32 2HA GLY 32 5.472 -5.051 8.975 231 H LYS 33 H LYS 33 2.633 -5.543 9.974 232 HA LYS 33 HA LYS 33 3.275 -7.929 11.519 233 1HB LYS 33 1HB LYS 33 2.771 -5.870 12.681 234 2HB LYS 33 2HB LYS 33 1.214 -5.803 11.885 235 1HG LYS 33 1HG LYS 33 1.059 -6.576 14.248 236 2HG LYS 33 2HG LYS 33 0.416 -7.753 13.140 237 1HD LYS 33 1HD LYS 33 1.815 -8.848 14.850 238 2HD LYS 33 2HD LYS 33 2.566 -9.043 13.283 239 1HE LYS 33 1HE LYS 33 4.225 -8.412 15.044 240 2HE LYS 33 2HE LYS 33 4.149 -7.180 13.797 241 1HZ LYS 33 1HZ LYS 33 2.843 -5.809 15.166 242 2HZ LYS 33 2HZ LYS 33 4.119 -6.370 16.138 243 3HZ LYS 33 3HZ LYS 33 2.568 -7.050 16.294 244 H LEU 34 H LEU 34 1.612 -7.396 8.731 245 HA LEU 34 HA LEU 34 -0.802 -8.774 9.186 246 1HB LEU 34 1HB LEU 34 0.774 -8.279 6.669 247 2HB LEU 34 2HB LEU 34 -0.908 -8.773 6.703 248 HG LEU 34 HG LEU 34 0.300 -6.175 7.711 249 1HD1 LEU 34 1HD1 LEU 34 -1.170 -5.163 5.952 250 2HD1 LEU 34 2HD1 LEU 34 -1.714 -6.770 5.504 251 3HD1 LEU 34 3HD1 LEU 34 -0.035 -6.311 5.262 252 1HD2 LEU 34 1HD2 LEU 34 -2.616 -7.009 7.910 253 2HD2 LEU 34 2HD2 LEU 34 -1.970 -5.429 8.313 254 3HD2 LEU 34 3HD2 LEU 34 -1.524 -6.817 9.273 255 H GLN 35 H GLN 35 -0.999 -10.799 9.685 256 HA GLN 35 HA GLN 35 1.040 -12.782 9.274 257 1HB GLN 35 1HB GLN 35 -1.848 -13.027 10.197 258 2HB GLN 35 2HB GLN 35 -0.673 -14.329 10.277 259 1HG GLN 35 1HG GLN 35 0.770 -12.956 11.769 260 2HG GLN 35 2HG GLN 35 -0.369 -11.619 11.664 261 1HE2 GLN 35 1HE2 GLN 35 -0.029 -14.978 12.825 262 2HE2 GLN 35 2HE2 GLN 35 -1.281 -14.881 13.967 263 H GLY 36 H GLY 36 1.175 -14.371 7.808 264 1HA GLY 36 1HA GLY 36 0.616 -15.783 6.036 265 2HA GLY 36 2HA GLY 36 -0.976 -15.058 5.995 266 H VAL 37 H VAL 37 1.541 -12.810 5.963 267 HA VAL 37 HA VAL 37 1.057 -12.170 3.138 268 HB VAL 37 HB VAL 37 2.312 -10.634 5.499 269 1HG1 VAL 37 1HG1 VAL 37 3.690 -10.172 3.431 270 2HG1 VAL 37 2HG1 VAL 37 2.745 -8.787 3.944 271 3HG1 VAL 37 3HG1 VAL 37 2.207 -9.759 2.580 272 1HG2 VAL 37 1HG2 VAL 37 0.000 -10.169 3.590 273 2HG2 VAL 37 2HG2 VAL 37 0.474 -9.104 4.881 274 3HG2 VAL 37 3HG2 VAL 37 -0.135 -10.721 5.247 275 H GLN 38 H GLN 38 2.653 -12.146 1.581 276 HA GLN 38 HA GLN 38 5.022 -13.812 2.214 277 1HB GLN 38 1HB GLN 38 3.882 -12.967 -0.516 278 2HB GLN 38 2HB GLN 38 5.172 -14.116 -0.247 279 1HG GLN 38 1HG GLN 38 2.238 -14.393 0.542 280 2HG GLN 38 2HG GLN 38 3.081 -15.297 -0.700 281 1HE2 GLN 38 1HE2 GLN 38 2.740 -14.862 2.764 282 2HE2 GLN 38 2HE2 GLN 38 3.465 -16.329 3.226 283 H ARG 39 H ARG 39 4.659 -11.401 -0.232 284 HA ARG 39 HA ARG 39 7.182 -10.082 0.664 285 1HB ARG 39 1HB ARG 39 7.107 -10.907 -1.700 286 2HB ARG 39 2HB ARG 39 5.725 -9.890 -2.027 287 1HG ARG 39 1HG ARG 39 7.735 -8.859 -2.887 288 2HG ARG 39 2HG ARG 39 7.041 -7.849 -1.650 289 1HD ARG 39 1HD ARG 39 8.825 -9.267 -0.105 290 2HD ARG 39 2HD ARG 39 9.616 -9.414 -1.662 291 HE ARG 39 HE ARG 39 9.342 -7.017 -0.071 292 1HH1 ARG 39 1HH1 ARG 39 9.656 -8.234 -3.300 293 2HH1 ARG 39 2HH1 ARG 39 10.343 -6.766 -3.910 294 1HH2 ARG 39 1HH2 ARG 39 10.205 -5.150 -0.818 295 2HH2 ARG 39 2HH2 ARG 39 10.660 -4.990 -2.482 296 H ILE 40 H ILE 40 7.353 -7.773 0.401 297 HA ILE 40 HA ILE 40 4.892 -6.182 0.683 298 HB ILE 40 HB ILE 40 5.426 -6.834 3.018 299 1HG1 ILE 40 1HG1 ILE 40 6.237 -3.959 2.405 300 2HG1 ILE 40 2HG1 ILE 40 4.609 -4.541 2.636 301 1HG2 ILE 40 1HG2 ILE 40 7.617 -6.354 4.068 302 2HG2 ILE 40 2HG2 ILE 40 8.238 -5.715 2.563 303 3HG2 ILE 40 3HG2 ILE 40 7.829 -7.418 2.698 304 1HD1 ILE 40 1HD1 ILE 40 6.774 -4.543 4.781 305 2HD1 ILE 40 2HD1 ILE 40 5.147 -5.168 4.990 306 3HD1 ILE 40 3HD1 ILE 40 5.404 -3.457 4.692 307 H LYS 41 H LYS 41 5.157 -4.441 -0.586 308 HA LYS 41 HA LYS 41 7.843 -3.223 -0.950 309 1HB LYS 41 1HB LYS 41 7.550 -3.275 -3.387 310 2HB LYS 41 2HB LYS 41 7.853 -4.820 -2.623 311 1HG LYS 41 1HG LYS 41 5.468 -5.388 -2.709 312 2HG LYS 41 2HG LYS 41 5.073 -3.822 -3.378 313 1HD LYS 41 1HD LYS 41 5.216 -5.122 -5.262 314 2HD LYS 41 2HD LYS 41 6.808 -4.373 -5.180 315 1HE LYS 41 1HE LYS 41 7.068 -6.789 -5.681 316 2HE LYS 41 2HE LYS 41 7.724 -6.440 -4.090 317 1HZ LYS 41 1HZ LYS 41 4.957 -7.383 -4.523 318 2HZ LYS 41 2HZ LYS 41 5.809 -7.298 -3.058 319 3HZ LYS 41 3HZ LYS 41 6.264 -8.429 -4.240 320 H VAL 42 H VAL 42 6.705 -1.634 0.378 321 HA VAL 42 HA VAL 42 4.558 -0.102 -0.880 322 HB VAL 42 HB VAL 42 6.172 0.453 1.665 323 1HG1 VAL 42 1HG1 VAL 42 4.271 1.947 2.263 324 2HG1 VAL 42 2HG1 VAL 42 3.513 1.617 0.712 325 3HG1 VAL 42 3HG1 VAL 42 5.035 2.491 0.783 326 1HG2 VAL 42 1HG2 VAL 42 3.433 -0.849 1.310 327 2HG2 VAL 42 2HG2 VAL 42 4.197 -0.493 2.850 328 3HG2 VAL 42 3HG2 VAL 42 4.899 -1.693 1.781 329 H SER 43 H SER 43 4.773 1.630 -2.086 330 HA SER 43 HA SER 43 7.452 2.593 -2.884 331 1HB SER 43 1HB SER 43 5.546 2.122 -4.527 332 2HB SER 43 2HB SER 43 4.717 3.526 -3.836 333 HG SER 43 HG SER 43 6.262 4.832 -4.548 334 H LEU 44 H LEU 44 7.400 5.016 -3.364 335 HA LEU 44 HA LEU 44 6.990 6.467 -0.789 336 1HB LEU 44 1HB LEU 44 8.673 7.160 -3.247 337 2HB LEU 44 2HB LEU 44 8.597 8.129 -1.798 338 HG LEU 44 HG LEU 44 10.640 6.884 -1.756 339 1HD1 LEU 44 1HD1 LEU 44 9.552 7.136 0.435 340 2HD1 LEU 44 2HD1 LEU 44 10.441 5.626 0.374 341 3HD1 LEU 44 3HD1 LEU 44 8.696 5.617 0.215 342 1HD2 LEU 44 1HD2 LEU 44 10.107 5.031 -3.278 343 2HD2 LEU 44 2HD2 LEU 44 9.101 4.277 -2.051 344 3HD2 LEU 44 3HD2 LEU 44 10.817 4.445 -1.786 345 H ASP 45 H ASP 45 6.731 8.964 -1.419 346 HA ASP 45 HA ASP 45 5.209 10.607 -1.989 347 1HB ASP 45 1HB ASP 45 6.355 10.376 -4.155 348 2HB ASP 45 2HB ASP 45 5.297 9.065 -4.634 349 H ASN 46 H ASN 46 3.597 8.259 -4.077 350 HA ASN 46 HA ASN 46 1.054 8.751 -2.676 351 1HB ASN 46 1HB ASN 46 1.685 6.943 -5.049 352 2HB ASN 46 2HB ASN 46 0.075 7.347 -4.503 353 1HD2 ASN 46 1HD2 ASN 46 1.857 8.037 -7.016 354 2HD2 ASN 46 2HD2 ASN 46 1.554 9.694 -7.232 355 H GLN 47 H GLN 47 3.487 7.010 -1.764 356 HA GLN 47 HA GLN 47 3.899 4.942 -0.792 357 1HB GLN 47 1HB GLN 47 2.710 6.508 0.818 358 2HB GLN 47 2HB GLN 47 1.227 5.684 0.405 359 1HG GLN 47 1HG GLN 47 2.176 3.527 1.303 360 2HG GLN 47 2HG GLN 47 3.664 4.376 1.700 361 1HE2 GLN 47 1HE2 GLN 47 0.147 4.398 2.376 362 2HE2 GLN 47 2HE2 GLN 47 0.291 5.060 3.931 363 H GLU 48 H GLU 48 3.116 4.448 -3.173 364 HA GLU 48 HA GLU 48 0.757 2.853 -3.493 365 1HB GLU 48 1HB GLU 48 2.010 4.023 -5.357 366 2HB GLU 48 2HB GLU 48 3.288 2.834 -5.213 367 1HG GLU 48 1HG GLU 48 1.703 1.009 -5.772 368 2HG GLU 48 2HG GLU 48 0.387 2.168 -5.860 369 H ALA 49 H ALA 49 0.699 1.464 -1.901 370 HA ALA 49 HA ALA 49 2.769 -0.497 -1.343 371 1HB ALA 49 1HB ALA 49 1.097 -1.321 0.301 372 2HB ALA 49 2HB ALA 49 -0.093 -0.254 -0.419 373 3HB ALA 49 3HB ALA 49 1.305 0.415 0.411 374 H THR 50 H THR 50 3.064 -2.329 -2.331 375 HA THR 50 HA THR 50 0.773 -3.652 -3.749 376 HB THR 50 HB THR 50 3.636 -3.249 -4.796 377 HG1 THR 50 HG1 THR 50 1.083 -2.143 -5.241 378 1HG2 THR 50 1HG2 THR 50 2.448 -5.409 -5.692 379 2HG2 THR 50 2HG2 THR 50 2.731 -4.202 -6.927 380 3HG2 THR 50 3HG2 THR 50 1.137 -4.378 -6.223 381 H ILE 51 H ILE 51 1.098 -4.387 -1.384 382 HA ILE 51 HA ILE 51 3.108 -6.320 -0.733 383 HB ILE 51 HB ILE 51 0.337 -5.788 0.401 384 1HG1 ILE 51 1HG1 ILE 51 1.625 -4.995 2.372 385 2HG1 ILE 51 2HG1 ILE 51 3.114 -5.270 1.498 386 1HG2 ILE 51 1HG2 ILE 51 2.442 -7.657 1.533 387 2HG2 ILE 51 2HG2 ILE 51 0.893 -8.165 0.871 388 3HG2 ILE 51 3HG2 ILE 51 0.953 -7.198 2.332 389 1HD1 ILE 51 1HD1 ILE 51 2.433 -2.910 1.473 390 2HD1 ILE 51 2HD1 ILE 51 0.930 -3.364 0.677 391 3HD1 ILE 51 3HD1 ILE 51 2.477 -3.558 -0.151 392 H VAL 52 H VAL 52 3.143 -8.497 -0.920 393 HA VAL 52 HA VAL 52 1.089 -9.802 -2.603 394 HB VAL 52 HB VAL 52 3.930 -10.622 -1.912 395 1HG1 VAL 52 1HG1 VAL 52 2.491 -12.564 -2.315 396 2HG1 VAL 52 2HG1 VAL 52 3.635 -12.361 -3.627 397 3HG1 VAL 52 3HG1 VAL 52 1.951 -11.880 -3.839 398 1HG2 VAL 52 1HG2 VAL 52 3.828 -8.653 -3.419 399 2HG2 VAL 52 2HG2 VAL 52 2.746 -9.512 -4.495 400 3HG2 VAL 52 3HG2 VAL 52 4.409 -10.057 -4.306 401 H TYR 53 H TYR 53 -0.016 -11.442 -1.666 402 HA TYR 53 HA TYR 53 0.962 -12.632 0.820 403 1HB TYR 53 1HB TYR 53 -0.975 -11.909 2.197 404 2HB TYR 53 2HB TYR 53 0.011 -10.561 1.651 405 HD1 TYR 53 HD1 TYR 53 -0.857 -9.069 -0.201 406 HD2 TYR 53 HD2 TYR 53 -3.266 -12.098 1.578 407 HE1 TYR 53 HE1 TYR 53 -2.873 -7.989 -1.077 408 HE2 TYR 53 HE2 TYR 53 -5.274 -11.016 0.695 409 HH TYR 53 HH TYR 53 -5.768 -8.371 0.010 410 H GLN 54 H GLN 54 -0.536 -14.108 1.824 411 HA GLN 54 HA GLN 54 -1.687 -15.898 -0.187 412 1HB GLN 54 1HB GLN 54 -1.452 -16.149 2.836 413 2HB GLN 54 2HB GLN 54 -1.890 -17.454 1.743 414 1HG GLN 54 1HG GLN 54 0.298 -17.451 0.707 415 2HG GLN 54 2HG GLN 54 0.759 -15.962 1.524 416 1HE2 GLN 54 1HE2 GLN 54 1.256 -16.053 3.784 417 2HE2 GLN 54 2HE2 GLN 54 1.547 -17.504 4.599 418 HA PRO 55 HA PRO 55 -5.231 -13.640 -0.183 419 1HB PRO 55 1HB PRO 55 -7.183 -15.485 -1.020 420 2HB PRO 55 2HB PRO 55 -6.046 -14.626 -2.048 421 1HG PRO 55 1HG PRO 55 -5.959 -17.445 -1.103 422 2HG PRO 55 2HG PRO 55 -5.276 -16.740 -2.563 423 1HD PRO 55 1HD PRO 55 -3.781 -17.442 -0.297 424 2HD PRO 55 2HD PRO 55 -3.265 -16.282 -1.535 425 H HIS 56 H HIS 56 -6.572 -16.696 1.029 426 HA HIS 56 HA HIS 56 -8.526 -15.423 2.703 427 1HB HIS 56 1HB HIS 56 -9.023 -17.706 3.456 428 2HB HIS 56 2HB HIS 56 -8.838 -17.638 1.712 429 HD1 HIS 56 HD1 HIS 56 -6.866 -18.999 0.778 430 HD2 HIS 56 HD2 HIS 56 -6.860 -18.872 4.847 431 HE1 HIS 56 HE1 HIS 56 -5.165 -20.635 1.509 432 H LEU 57 H LEU 57 -5.259 -15.539 3.339 433 HA LEU 57 HA LEU 57 -5.386 -16.178 6.164 434 1HB LEU 57 1HB LEU 57 -3.270 -14.825 4.430 435 2HB LEU 57 2HB LEU 57 -3.082 -15.022 6.144 436 HG LEU 57 HG LEU 57 -1.896 -16.798 4.813 437 1HD1 LEU 57 1HD1 LEU 57 -2.680 -18.708 6.172 438 2HD1 LEU 57 2HD1 LEU 57 -4.142 -17.838 6.594 439 3HD1 LEU 57 3HD1 LEU 57 -2.580 -17.251 7.144 440 1HD2 LEU 57 1HD2 LEU 57 -3.603 -17.020 2.979 441 2HD2 LEU 57 2HD2 LEU 57 -4.695 -17.738 4.136 442 3HD2 LEU 57 3HD2 LEU 57 -3.212 -18.567 3.715 443 H ILE 58 H ILE 58 -5.089 -13.300 4.211 444 HA ILE 58 HA ILE 58 -6.675 -11.670 5.969 445 HB ILE 58 HB ILE 58 -4.560 -11.733 7.225 446 1HG1 ILE 58 1HG1 ILE 58 -4.879 -8.955 6.013 447 2HG1 ILE 58 2HG1 ILE 58 -6.038 -9.631 7.144 448 1HG2 ILE 58 1HG2 ILE 58 -2.481 -10.692 6.241 449 2HG2 ILE 58 2HG2 ILE 58 -3.324 -10.451 4.724 450 3HG2 ILE 58 3HG2 ILE 58 -2.997 -12.076 5.299 451 1HD1 ILE 58 1HD1 ILE 58 -3.070 -9.198 7.678 452 2HD1 ILE 58 2HD1 ILE 58 -4.212 -9.900 8.816 453 3HD1 ILE 58 3HD1 ILE 58 -4.394 -8.230 8.308 454 H SER 59 H SER 59 -6.705 -9.376 5.132 455 HA SER 59 HA SER 59 -6.138 -9.214 2.186 456 1HB SER 59 1HB SER 59 -8.591 -8.181 3.683 457 2HB SER 59 2HB SER 59 -8.262 -7.972 1.954 458 HG SER 59 HG SER 59 -7.952 -10.367 2.016 459 H VAL 60 H VAL 60 -4.660 -7.760 1.867 460 HA VAL 60 HA VAL 60 -3.933 -5.781 3.789 461 HB VAL 60 HB VAL 60 -3.268 -6.046 0.826 462 1HG1 VAL 60 1HG1 VAL 60 -1.239 -4.655 1.409 463 2HG1 VAL 60 2HG1 VAL 60 -1.827 -4.493 3.053 464 3HG1 VAL 60 3HG1 VAL 60 -2.703 -3.751 1.726 465 1HG2 VAL 60 1HG2 VAL 60 -2.622 -8.036 2.175 466 2HG2 VAL 60 2HG2 VAL 60 -1.744 -7.005 3.289 467 3HG2 VAL 60 3HG2 VAL 60 -1.207 -7.163 1.625 468 H GLU 61 H GLU 61 -6.320 -5.996 1.397 469 HA GLU 61 HA GLU 61 -6.674 -3.233 0.772 470 1HB GLU 61 1HB GLU 61 -7.537 -5.166 -0.606 471 2HB GLU 61 2HB GLU 61 -8.677 -5.537 0.676 472 1HG GLU 61 1HG GLU 61 -9.621 -3.213 0.437 473 2HG GLU 61 2HG GLU 61 -8.524 -2.953 -0.915 474 H GLU 62 H GLU 62 -7.828 -5.433 3.224 475 HA GLU 62 HA GLU 62 -9.838 -3.737 4.392 476 1HB GLU 62 1HB GLU 62 -9.620 -6.242 4.668 477 2HB GLU 62 2HB GLU 62 -8.171 -5.980 5.605 478 1HG GLU 62 1HG GLU 62 -9.500 -4.692 7.302 479 2HG GLU 62 2HG GLU 62 -10.949 -4.946 6.344 480 H MET 63 H MET 63 -6.441 -4.382 4.902 481 HA MET 63 HA MET 63 -6.002 -2.721 7.145 482 1HB MET 63 1HB MET 63 -4.244 -3.760 4.991 483 2HB MET 63 2HB MET 63 -3.585 -2.739 6.251 484 1HG MET 63 1HG MET 63 -3.394 -5.199 6.642 485 2HG MET 63 2HG MET 63 -4.121 -4.311 7.945 486 1HE MET 63 1HE MET 63 -7.079 -5.977 8.844 487 2HE MET 63 2HE MET 63 -7.373 -4.509 7.896 488 3HE MET 63 3HE MET 63 -5.981 -4.634 8.976 489 H LYS 64 H LYS 64 -6.038 -2.170 3.699 490 HA LYS 64 HA LYS 64 -4.973 0.488 3.737 491 1HB LYS 64 1HB LYS 64 -6.626 -1.081 1.723 492 2HB LYS 64 2HB LYS 64 -6.294 0.612 1.440 493 1HG LYS 64 1HG LYS 64 -4.098 -1.407 2.031 494 2HG LYS 64 2HG LYS 64 -4.651 -1.043 0.407 495 1HD LYS 64 1HD LYS 64 -4.029 1.304 0.638 496 2HD LYS 64 2HD LYS 64 -3.621 1.113 2.326 497 1HE LYS 64 1HE LYS 64 -2.225 -0.276 0.016 498 2HE LYS 64 2HE LYS 64 -1.592 1.101 0.909 499 1HZ LYS 64 1HZ LYS 64 -1.792 -0.339 2.936 500 2HZ LYS 64 2HZ LYS 64 -0.600 -0.792 1.815 501 3HZ LYS 64 3HZ LYS 64 -2.065 -1.646 1.888 502 H LYS 65 H LYS 65 -8.192 -0.796 4.331 503 HA LYS 65 HA LYS 65 -9.563 1.645 3.948 504 1HB LYS 65 1HB LYS 65 -10.636 -0.619 4.158 505 2HB LYS 65 2HB LYS 65 -10.133 -0.686 5.829 506 1HG LYS 65 1HG LYS 65 -12.487 -0.051 5.711 507 2HG LYS 65 2HG LYS 65 -11.549 1.266 6.384 508 1HD LYS 65 1HD LYS 65 -11.542 2.404 4.148 509 2HD LYS 65 2HD LYS 65 -12.455 1.069 3.468 510 1HE LYS 65 1HE LYS 65 -13.401 2.875 5.738 511 2HE LYS 65 2HE LYS 65 -13.927 2.988 4.065 512 1HZ LYS 65 1HZ LYS 65 -14.448 0.843 6.011 513 2HZ LYS 65 2HZ LYS 65 -14.596 0.571 4.341 514 3HZ LYS 65 3HZ LYS 65 -15.557 1.749 5.098 515 H GLN 66 H GLN 66 -7.788 0.298 6.626 516 HA GLN 66 HA GLN 66 -8.510 2.269 8.539 517 1HB GLN 66 1HB GLN 66 -5.941 0.613 8.455 518 2HB GLN 66 2HB GLN 66 -6.775 1.197 9.878 519 1HG GLN 66 1HG GLN 66 -7.837 -0.933 7.960 520 2HG GLN 66 2HG GLN 66 -7.189 -1.222 9.544 521 1HE2 GLN 66 1HE2 GLN 66 -9.950 0.070 7.781 522 2HE2 GLN 66 2HE2 GLN 66 -10.997 0.168 9.113 523 H ILE 67 H ILE 67 -5.974 1.875 6.200 524 HA ILE 67 HA ILE 67 -4.358 4.123 6.916 525 HB ILE 67 HB ILE 67 -4.761 2.499 4.394 526 1HG1 ILE 67 1HG1 ILE 67 -2.640 2.575 6.567 527 2HG1 ILE 67 2HG1 ILE 67 -3.857 1.354 6.417 528 1HG2 ILE 67 1HG2 ILE 67 -2.626 3.471 3.528 529 2HG2 ILE 67 2HG2 ILE 67 -2.611 4.598 4.875 530 3HG2 ILE 67 3HG2 ILE 67 -3.889 4.665 3.673 531 1HD1 ILE 67 1HD1 ILE 67 -1.729 0.494 5.559 532 2HD1 ILE 67 2HD1 ILE 67 -1.625 1.800 4.395 533 3HD1 ILE 67 3HD1 ILE 67 -2.896 0.593 4.260 534 H GLU 68 H GLU 68 -7.146 3.618 4.981 535 HA GLU 68 HA GLU 68 -7.243 6.330 3.862 536 1HB GLU 68 1HB GLU 68 -9.131 3.982 3.820 537 2HB GLU 68 2HB GLU 68 -9.447 5.498 3.000 538 1HG GLU 68 1HG GLU 68 -7.471 5.202 1.589 539 2HG GLU 68 2HG GLU 68 -6.914 3.831 2.493 540 H ALA 69 H ALA 69 -8.374 4.702 6.649 541 HA ALA 69 HA ALA 69 -10.535 6.563 7.239 542 1HB ALA 69 1HB ALA 69 -10.599 5.380 9.409 543 2HB ALA 69 2HB ALA 69 -9.106 4.547 9.001 544 3HB ALA 69 3HB ALA 69 -10.568 4.239 8.070 545 H MET 70 H MET 70 -7.172 6.118 8.165 546 HA MET 70 HA MET 70 -7.160 8.189 10.114 547 1HB MET 70 1HB MET 70 -4.753 7.665 10.184 548 2HB MET 70 2HB MET 70 -5.734 6.220 10.260 549 1HG MET 70 1HG MET 70 -5.375 5.890 7.851 550 2HG MET 70 2HG MET 70 -4.313 7.264 7.816 551 1HE MET 70 1HE MET 70 -2.102 7.408 9.145 552 2HE MET 70 2HE MET 70 -1.881 6.801 7.487 553 3HE MET 70 3HE MET 70 -1.010 6.075 8.829 554 H GLY 71 H GLY 71 -7.078 8.221 6.739 555 1HA GLY 71 1HA GLY 71 -7.290 10.577 5.882 556 2HA GLY 71 2HA GLY 71 -5.825 10.943 6.754 557 H PHE 72 H PHE 72 -5.850 7.953 4.981 558 HA PHE 72 HA PHE 72 -4.325 9.275 2.768 559 1HB PHE 72 1HB PHE 72 -3.650 6.654 4.189 560 2HB PHE 72 2HB PHE 72 -2.945 7.195 2.713 561 HD1 PHE 72 HD1 PHE 72 -3.530 8.399 6.208 562 HD2 PHE 72 HD2 PHE 72 -1.009 8.503 2.779 563 HE1 PHE 72 HE1 PHE 72 -1.896 9.725 7.446 564 HE2 PHE 72 HE2 PHE 72 0.619 9.830 4.009 565 HZ PHE 72 HZ PHE 72 0.190 10.454 6.359 566 HA PRO 73 HA PRO 73 -7.990 7.028 0.930 567 1HB PRO 73 1HB PRO 73 -7.348 8.943 -1.216 568 2HB PRO 73 2HB PRO 73 -8.894 8.530 -0.484 569 1HG PRO 73 1HG PRO 73 -7.494 10.882 0.049 570 2HG PRO 73 2HG PRO 73 -8.713 10.195 1.107 571 1HD PRO 73 1HD PRO 73 -5.790 10.293 1.522 572 2HD PRO 73 2HD PRO 73 -7.069 9.919 2.691 573 H ALA 74 H ALA 74 -7.723 5.375 -0.418 574 HA ALA 74 HA ALA 74 -5.172 5.156 -1.964 575 1HB ALA 74 1HB ALA 74 -6.574 2.918 -0.438 576 2HB ALA 74 2HB ALA 74 -5.091 3.720 0.059 577 3HB ALA 74 3HB ALA 74 -5.113 2.745 -1.399 578 H PHE 75 H PHE 75 -5.408 5.003 -3.907 579 HA PHE 75 HA PHE 75 -7.936 4.401 -5.232 580 1HB PHE 75 1HB PHE 75 -5.216 5.093 -6.457 581 2HB PHE 75 2HB PHE 75 -6.786 5.261 -7.232 582 HD1 PHE 75 HD1 PHE 75 -4.294 7.020 -5.480 583 HD2 PHE 75 HD2 PHE 75 -8.539 6.751 -5.799 584 HE1 PHE 75 HE1 PHE 75 -4.508 9.266 -4.531 585 HE2 PHE 75 HE2 PHE 75 -8.744 9.003 -4.849 586 HZ PHE 75 HZ PHE 75 -6.732 10.265 -4.213 587 H VAL 76 H VAL 76 -7.730 2.247 -4.202 588 HA VAL 76 HA VAL 76 -5.881 0.279 -5.288 589 HB VAL 76 HB VAL 76 -8.447 -0.089 -3.661 590 1HG1 VAL 76 1HG1 VAL 76 -7.428 -2.254 -2.952 591 2HG1 VAL 76 2HG1 VAL 76 -6.091 -1.986 -4.060 592 3HG1 VAL 76 3HG1 VAL 76 -7.716 -2.230 -4.675 593 1HG2 VAL 76 1HG2 VAL 76 -6.939 -0.196 -1.680 594 2HG2 VAL 76 2HG2 VAL 76 -6.849 1.366 -2.467 595 3HG2 VAL 76 3HG2 VAL 76 -5.571 0.191 -2.710 596 H LYS 77 H LYS 77 -6.653 -1.661 -6.372 597 HA LYS 77 HA LYS 77 -7.882 -1.190 -8.848 598 1HB LYS 77 1HB LYS 77 -6.455 -3.166 -8.301 599 2HB LYS 77 2HB LYS 77 -7.729 -3.788 -7.272 600 1HG LYS 77 1HG LYS 77 -9.246 -3.935 -9.291 601 2HG LYS 77 2HG LYS 77 -7.941 -3.329 -10.287 602 1HD LYS 77 1HD LYS 77 -8.062 -5.770 -10.477 603 2HD LYS 77 2HD LYS 77 -6.564 -5.324 -9.687 604 1HE LYS 77 1HE LYS 77 -7.704 -7.254 -8.561 605 2HE LYS 77 2HE LYS 77 -7.532 -5.896 -7.467 606 1HZ LYS 77 1HZ LYS 77 -9.974 -6.334 -9.076 607 2HZ LYS 77 2HZ LYS 77 -9.773 -5.335 -7.717 608 3HZ LYS 77 3HZ LYS 77 -9.757 -7.024 -7.538 609 H LYS 78 H LYS 78 -9.276 -1.932 -5.788 610 HA LYS 78 HA LYS 78 -11.420 -2.003 -4.972 611 1HB LYS 78 1HB LYS 78 -11.443 -0.061 -7.140 612 2HB LYS 78 2HB LYS 78 -12.959 -0.914 -7.212 613 1HG LYS 78 1HG LYS 78 -11.781 0.414 -4.720 614 2HG LYS 78 2HG LYS 78 -12.997 1.141 -5.743 615 1HD LYS 78 1HD LYS 78 -13.400 -1.494 -4.238 616 2HD LYS 78 2HD LYS 78 -13.934 0.067 -3.662 617 1HE LYS 78 1HE LYS 78 -15.441 0.344 -5.558 618 2HE LYS 78 2HE LYS 78 -14.842 -1.114 -6.326 619 1HZ LYS 78 1HZ LYS 78 -15.663 -2.409 -4.504 620 2HZ LYS 78 2HZ LYS 78 -16.915 -1.471 -5.162 621 3HZ LYS 78 3HZ LYS 78 -16.190 -1.011 -3.695 622 H GLN 79 H GLN 79 -13.810 -2.599 -5.784 623 HA GLN 79 HA GLN 79 -15.202 -4.389 -6.282 624 1HB GLN 79 1HB GLN 79 -13.368 -4.531 -8.741 625 2HB GLN 79 2HB GLN 79 -14.922 -5.323 -8.609 626 1HG GLN 79 1HG GLN 79 -14.501 -2.302 -8.434 627 2HG GLN 79 2HG GLN 79 -15.090 -3.162 -9.845 628 1HE2 GLN 79 1HE2 GLN 79 -17.109 -4.628 -9.331 629 2HE2 GLN 79 2HE2 GLN 79 -18.281 -3.934 -8.319 630 HA PRO 80 HA PRO 80 -11.830 -7.216 -4.694 631 1HB PRO 80 1HB PRO 80 -13.067 -7.684 -2.217 632 2HB PRO 80 2HB PRO 80 -11.775 -6.540 -2.538 633 1HG PRO 80 1HG PRO 80 -14.669 -6.032 -2.120 634 2HG PRO 80 2HG PRO 80 -13.319 -4.932 -1.894 635 1HD PRO 80 1HD PRO 80 -15.121 -4.896 -4.069 636 2HD PRO 80 2HD PRO 80 -13.561 -4.056 -3.999 637 H LYS 81 H LYS 81 -11.970 -9.437 -4.062 638 HA LYS 81 HA LYS 81 -12.682 -11.619 -4.284 639 1HB LYS 81 1HB LYS 81 -14.530 -10.785 -2.732 640 2HB LYS 81 2HB LYS 81 -15.530 -10.498 -4.144 641 1HG LYS 81 1HG LYS 81 -15.388 -12.906 -4.758 642 2HG LYS 81 2HG LYS 81 -14.374 -13.202 -3.356 643 1HD LYS 81 1HD LYS 81 -16.240 -12.382 -1.884 644 2HD LYS 81 2HD LYS 81 -17.239 -12.155 -3.310 645 1HE LYS 81 1HE LYS 81 -17.018 -14.595 -3.835 646 2HE LYS 81 2HE LYS 81 -16.054 -14.796 -2.374 647 1HZ LYS 81 1HZ LYS 81 -18.184 -15.379 -1.761 648 2HZ LYS 81 2HZ LYS 81 -18.901 -14.091 -2.605 649 3HZ LYS 81 3HZ LYS 81 -18.023 -13.791 -1.182 650 H TYR 82 H TYR 82 -13.390 -13.094 -5.803 651 HA TYR 82 HA TYR 82 -14.648 -12.168 -8.307 652 1HB TYR 82 1HB TYR 82 -12.756 -13.114 -9.687 653 2HB TYR 82 2HB TYR 82 -12.235 -11.752 -8.715 654 HD1 TYR 82 HD1 TYR 82 -11.729 -15.267 -9.399 655 HD2 TYR 82 HD2 TYR 82 -11.025 -12.221 -6.503 656 HE1 TYR 82 HE1 TYR 82 -10.003 -16.652 -8.356 657 HE2 TYR 82 HE2 TYR 82 -9.302 -13.611 -5.464 658 HH TYR 82 HH TYR 82 -8.872 -16.248 -5.376 659 H LEU 83 H LEU 83 -16.120 -13.587 -8.754 660 HA LEU 83 HA LEU 83 -17.416 -15.511 -8.779 661 1HB LEU 83 1HB LEU 83 -14.631 -16.733 -9.225 662 2HB LEU 83 2HB LEU 83 -16.118 -17.616 -9.450 663 HG LEU 83 HG LEU 83 -15.303 -16.906 -11.607 664 1HD1 LEU 83 1HD1 LEU 83 -17.690 -15.174 -10.848 665 2HD1 LEU 83 2HD1 LEU 83 -17.749 -16.854 -11.359 666 3HD1 LEU 83 3HD1 LEU 83 -17.217 -15.612 -12.476 667 1HD2 LEU 83 1HD2 LEU 83 -15.321 -14.016 -10.638 668 2HD2 LEU 83 2HD2 LEU 83 -14.965 -14.564 -12.257 669 3HD2 LEU 83 3HD2 LEU 83 -13.892 -14.993 -10.938 670 H LYS 84 H LYS 84 -14.728 -17.295 -7.424 671 HA LYS 84 HA LYS 84 -16.323 -18.364 -5.317 672 1HB LYS 84 1HB LYS 84 -13.330 -18.360 -5.861 673 2HB LYS 84 2HB LYS 84 -13.994 -19.232 -4.504 674 1HG LYS 84 1HG LYS 84 -15.175 -19.720 -7.245 675 2HG LYS 84 2HG LYS 84 -13.604 -20.390 -6.891 676 1HD LYS 84 1HD LYS 84 -15.361 -22.048 -6.450 677 2HD LYS 84 2HD LYS 84 -14.516 -21.646 -4.977 678 1HE LYS 84 1HE LYS 84 -17.164 -20.335 -5.699 679 2HE LYS 84 2HE LYS 84 -17.076 -21.851 -4.825 680 1HZ LYS 84 1HZ LYS 84 -15.328 -20.076 -3.583 681 2HZ LYS 84 2HZ LYS 84 -16.768 -20.737 -2.983 682 3HZ LYS 84 3HZ LYS 84 -16.800 -19.262 -3.818
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