NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10874 | 1qjt | 4491 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.930 0.974 -1.713 3 1HB LEU 7 1HB LEU 7 3.761 -1.186 -0.675 4 2HB LEU 7 2HB LEU 7 4.110 0.015 -1.903 5 HG LEU 7 HG LEU 7 3.331 1.281 0.596 6 1HD1 LEU 7 1HD1 LEU 7 4.547 -1.064 1.161 7 2HD1 LEU 7 2HD1 LEU 7 5.969 -0.013 0.959 8 3HD1 LEU 7 3HD1 LEU 7 4.713 0.407 2.148 9 1HD2 LEU 7 1HD2 LEU 7 4.952 1.801 -1.616 10 2HD2 LEU 7 2HD2 LEU 7 4.725 2.828 -0.179 11 3HD2 LEU 7 3HD2 LEU 7 6.079 1.675 -0.244 12 MD1 LEU 7 MD1 LEU 7 5.076 -0.223 1.423 13 MD2 LEU 7 MD2 LEU 7 5.252 2.101 -0.680 14 QB LEU 7 QB LEU 7 3.935 -0.586 -1.289 15 QD LEU 7 QD LEU 7 5.164 0.939 0.372 16 H SER 8 H SER 8 3.335 -1.316 -3.087 17 HA SER 8 HA SER 8 0.912 -2.780 -3.795 18 1HB SER 8 2HB SER 8 1.547 -2.740 -6.085 19 2HB SER 8 1HB SER 8 3.209 -2.327 -5.718 20 HG SER 8 HG SER 8 1.455 -0.409 -4.743 21 QB SER 8 QB SER 8 2.378 -2.534 -5.902 22 H LEU 9 H LEU 9 1.613 -4.937 -5.076 23 HA LEU 9 HA LEU 9 2.803 -6.615 -3.283 24 1HB LEU 9 1HB LEU 9 2.592 -6.840 -6.287 25 2HB LEU 9 2HB LEU 9 3.061 -8.157 -5.230 26 HG LEU 9 HG LEU 9 0.381 -6.797 -5.462 27 1HD1 LEU 9 1HD1 LEU 9 1.534 -9.437 -6.126 28 2HD1 LEU 9 2HD1 LEU 9 -0.084 -9.466 -5.384 29 3HD1 LEU 9 3HD1 LEU 9 0.194 -8.537 -6.877 30 1HD2 LEU 9 1HD2 LEU 9 1.324 -8.563 -3.188 31 2HD2 LEU 9 2HD2 LEU 9 0.787 -6.869 -3.090 32 3HD2 LEU 9 3HD2 LEU 9 -0.375 -8.147 -3.519 33 MD1 LEU 9 MD1 LEU 9 0.548 -9.147 -6.129 34 MD2 LEU 9 MD2 LEU 9 0.579 -7.860 -3.266 35 QB LEU 9 QB LEU 9 2.827 -7.499 -5.758 36 QD LEU 9 QD LEU 9 0.563 -8.503 -4.697 37 H THR 10 H THR 10 4.296 -4.570 -5.806 38 HA THR 10 HA THR 10 6.800 -5.691 -5.936 39 HB THR 10 HB THR 10 6.019 -2.727 -5.935 40 HG1 THR 10 HG1 THR 10 6.249 -4.762 -8.036 41 1HG2 THR 10 1HG2 THR 10 8.562 -3.569 -6.074 42 2HG2 THR 10 2HG2 THR 10 8.085 -4.030 -7.725 43 3HG2 THR 10 3HG2 THR 10 7.963 -2.332 -7.205 44 MG THR 10 MG THR 10 8.204 -3.310 -7.001 45 H GLN 11 H GLN 11 6.073 -2.814 -3.852 46 HA GLN 11 HA GLN 11 8.390 -3.119 -2.392 47 1HB GLN 11 1HB GLN 11 5.987 -1.457 -2.326 48 2HB GLN 11 2HB GLN 11 6.507 -1.847 -0.699 49 1HG GLN 11 1HG GLN 11 8.434 -0.815 -2.825 50 2HG GLN 11 2HG GLN 11 7.548 0.259 -1.761 51 2HE2 GLN 11 1HE2 GLN 11 10.305 -1.585 -2.182 52 1HE2 GLN 11 2HE2 GLN 11 10.932 -1.584 -0.567 53 QB GLN 11 QB GLN 11 6.247 -1.652 -1.513 54 QG GLN 11 QG GLN 11 7.991 -0.278 -2.293 55 QE GLN 11 QE GLN 11 10.618 -1.585 -1.375 56 H LEU 12 H LEU 12 5.156 -4.576 -2.046 57 HA LEU 12 HA LEU 12 5.150 -5.386 0.540 58 1HB LEU 12 1HB LEU 12 3.405 -5.696 -1.250 59 2HB LEU 12 2HB LEU 12 4.301 -7.100 -1.794 60 HG LEU 12 HG LEU 12 2.433 -7.767 -0.403 61 1HD1 LEU 12 1HD1 LEU 12 4.823 -8.857 -0.288 62 2HD1 LEU 12 2HD1 LEU 12 4.779 -8.265 1.390 63 3HD1 LEU 12 3HD1 LEU 12 3.522 -9.383 0.808 64 1HD2 LEU 12 1HD2 LEU 12 3.031 -5.476 1.088 65 2HD2 LEU 12 2HD2 LEU 12 1.763 -6.681 1.415 66 3HD2 LEU 12 3HD2 LEU 12 3.362 -6.842 2.179 67 MD1 LEU 12 MD1 LEU 12 4.375 -8.835 0.637 68 MD2 LEU 12 MD2 LEU 12 2.719 -6.333 1.561 69 QB LEU 12 QB LEU 12 3.853 -6.398 -1.522 70 QD LEU 12 QD LEU 12 3.547 -7.584 1.099 71 H SER 13 H SER 13 6.995 -6.781 -2.213 72 HA SER 13 HA SER 13 8.905 -7.793 -0.417 73 1HB SER 13 1HB SER 13 6.765 -9.616 -1.378 74 2HB SER 13 2HB SER 13 8.387 -10.224 -1.637 75 HG SER 13 HG SER 13 6.996 -9.742 0.786 76 QB SER 13 QB SER 13 7.576 -9.920 -1.508 77 H SER 14 H SER 14 9.582 -6.058 -2.198 78 HA SER 14 HA SER 14 10.496 -5.548 -4.126 79 1HB SER 14 1HB SER 14 11.973 -7.624 -2.838 80 2HB SER 14 2HB SER 14 12.053 -7.964 -4.555 81 HG SER 14 HG SER 14 12.464 -5.262 -3.774 82 QB SER 14 QB SER 14 12.013 -7.794 -3.697 83 H GLY 15 H GLY 15 7.925 -7.060 -4.345 84 1HA GLY 15 1HA GLY 15 6.625 -7.817 -6.020 85 2HA GLY 15 2HA GLY 15 7.935 -7.504 -7.142 86 QA GLY 15 QA GLY 15 7.280 -7.661 -6.581 87 H ASN 16 H ASN 16 7.581 -9.734 -4.286 88 HA ASN 16 HA ASN 16 8.848 -11.782 -5.836 89 1HB ASN 16 1HB ASN 16 9.086 -11.214 -3.237 90 2HB ASN 16 2HB ASN 16 7.648 -12.203 -3.076 91 2HD2 ASN 16 1HD2 ASN 16 10.291 -12.698 -2.062 92 1HD2 ASN 16 2HD2 ASN 16 10.856 -14.194 -2.727 93 QB ASN 16 QB ASN 16 8.367 -11.709 -3.156 94 QD ASN 16 QD ASN 16 10.573 -13.446 -2.394 95 HA PRO 17 HA PRO 17 4.785 -13.258 -6.864 96 1HB PRO 17 1HB PRO 17 5.548 -15.098 -8.735 97 2HB PRO 17 2HB PRO 17 5.276 -13.408 -9.109 98 1HG PRO 17 2HG PRO 17 7.525 -13.316 -9.611 99 2HG PRO 17 1HG PRO 17 7.838 -14.857 -8.839 100 1HD PRO 17 1HD PRO 17 8.729 -13.734 -7.042 101 2HD PRO 17 2HD PRO 17 8.310 -12.193 -7.765 102 QB PRO 17 QB PRO 17 5.412 -14.253 -8.922 103 QG PRO 17 QG PRO 17 7.681 -14.086 -9.225 104 QD PRO 17 QD PRO 17 8.519 -12.963 -7.403 105 H VAL 18 H VAL 18 7.324 -14.857 -5.372 106 HA VAL 18 HA VAL 18 6.537 -17.439 -5.216 107 HB VAL 18 HB VAL 18 8.557 -16.523 -4.227 108 1HG1 VAL 18 1HG1 VAL 18 7.244 -14.472 -3.283 109 2HG1 VAL 18 2HG1 VAL 18 7.002 -15.508 -1.856 110 3HG1 VAL 18 3HG1 VAL 18 8.650 -15.100 -2.390 111 1HG2 VAL 18 1HG2 VAL 18 6.770 -18.396 -2.917 112 2HG2 VAL 18 2HG2 VAL 18 8.539 -18.456 -3.110 113 3HG2 VAL 18 3HG2 VAL 18 7.823 -17.585 -1.733 114 MG1 VAL 18 MG1 VAL 18 7.632 -15.027 -2.510 115 MG2 VAL 18 MG2 VAL 18 7.711 -18.146 -2.586 116 QG VAL 18 QG VAL 18 7.671 -16.586 -2.548 117 H TYR 19 H TYR 19 5.142 -14.600 -3.501 118 HA TYR 19 HA TYR 19 3.430 -16.095 -1.843 119 1HB TYR 19 1HB TYR 19 3.743 -13.280 -2.957 120 2HB TYR 19 2HB TYR 19 2.221 -13.655 -2.173 121 HD1 TYR 19 HD1 TYR 19 2.507 -14.861 0.220 122 HD2 TYR 19 HD2 TYR 19 5.433 -12.367 -1.656 123 HE1 TYR 19 HE1 TYR 19 3.564 -14.387 2.483 124 HE2 TYR 19 HE2 TYR 19 6.480 -11.901 0.613 125 HH TYR 19 HH TYR 19 4.911 -12.673 3.514 126 QB TYR 19 QB TYR 19 2.982 -13.467 -2.565 127 QD TYR 19 QD TYR 19 3.970 -13.614 -0.718 128 QE TYR 19 QE TYR 19 5.022 -13.143 1.548 129 QR TYR 19 QR TYR 19 4.496 -13.379 0.415 130 H GLU 20 H GLU 20 3.129 -14.773 -5.170 131 HA GLU 20 HA GLU 20 0.437 -14.960 -5.467 132 1HB GLU 20 1HB GLU 20 2.724 -14.621 -7.145 133 2HB GLU 20 2HB GLU 20 1.747 -15.870 -7.891 134 1HG GLU 20 1HG GLU 20 0.126 -13.610 -6.885 135 2HG GLU 20 2HG GLU 20 1.308 -13.110 -8.079 136 HE2 GLU 20 HE2 GLU 20 0.217 -14.360 -10.661 137 QB GLU 20 QB GLU 20 2.236 -15.246 -7.518 138 QG GLU 20 QG GLU 20 0.717 -13.360 -7.482 139 H LYS 21 H LYS 21 2.911 -17.537 -5.487 140 HA LYS 21 HA LYS 21 1.429 -19.561 -6.649 141 1HB LYS 21 1HB LYS 21 3.361 -20.605 -6.320 142 2HB LYS 21 2HB LYS 21 3.923 -19.259 -5.349 143 1HG LYS 21 1HG LYS 21 3.010 -20.254 -3.308 144 2HG LYS 21 2HG LYS 21 2.196 -21.508 -4.222 145 1HD LYS 21 1HD LYS 21 4.620 -22.095 -5.103 146 2HD LYS 21 2HD LYS 21 5.168 -21.172 -3.718 147 1HE LYS 21 1HE LYS 21 3.241 -22.773 -2.547 148 2HE LYS 21 2HE LYS 21 3.832 -23.835 -3.809 149 QB LYS 21 QB LYS 21 3.642 -19.932 -5.834 150 QD LYS 21 QD LYS 21 4.894 -21.634 -4.411 151 QG LYS 21 QG LYS 21 2.603 -20.881 -3.765 152 QE LYS 21 QE LYS 21 3.537 -23.304 -3.178 153 QZ LYS 21 QZ LYS 21 5.556 -22.923 -1.966 154 H TYR 22 H TYR 22 1.466 -18.297 -3.284 155 HA TYR 22 HA TYR 22 -0.298 -20.335 -2.336 156 1HB TYR 22 2HB TYR 22 -0.203 -18.865 -0.308 157 2HB TYR 22 1HB TYR 22 0.376 -17.523 -1.274 158 HD1 TYR 22 HD1 TYR 22 1.548 -21.064 -1.425 159 HD2 TYR 22 HD2 TYR 22 2.452 -17.048 -0.258 160 HE1 TYR 22 HE1 TYR 22 3.949 -21.740 -0.933 161 HE2 TYR 22 HE2 TYR 22 4.850 -17.737 0.230 162 HH TYR 22 HH TYR 22 6.314 -19.322 0.161 163 QB TYR 22 QB TYR 22 0.086 -18.194 -0.791 164 QD TYR 22 QD TYR 22 2.000 -19.056 -0.842 165 QE TYR 22 QE TYR 22 4.400 -19.739 -0.352 166 QR TYR 22 QR TYR 22 3.200 -19.397 -0.597 167 H TYR 23 H TYR 23 -0.615 -16.835 -3.229 168 HA TYR 23 HA TYR 23 -3.258 -16.504 -2.537 169 1HB TYR 23 1HB TYR 23 -1.592 -14.765 -3.318 170 2HB TYR 23 2HB TYR 23 -1.577 -15.489 -4.914 171 HD1 TYR 23 HD1 TYR 23 -4.428 -14.597 -2.640 172 HD2 TYR 23 HD2 TYR 23 -2.494 -13.954 -6.401 173 HE1 TYR 23 HE1 TYR 23 -6.323 -13.063 -3.360 174 HE2 TYR 23 HE2 TYR 23 -4.395 -12.422 -7.109 175 HH TYR 23 HH TYR 23 -6.276 -11.523 -6.566 176 QB TYR 23 QB TYR 23 -1.585 -15.127 -4.116 177 QD TYR 23 QD TYR 23 -3.461 -14.275 -4.521 178 QE TYR 23 QE TYR 23 -5.359 -12.743 -5.235 179 QR TYR 23 QR TYR 23 -4.410 -13.509 -4.878 180 H ARG 24 H ARG 24 -1.848 -18.370 -5.168 181 HA ARG 24 HA ARG 24 -4.351 -18.386 -6.580 182 1HB ARG 24 1HB ARG 24 -1.952 -18.353 -7.641 183 2HB ARG 24 2HB ARG 24 -1.894 -20.060 -7.248 184 1HG ARG 24 2HG ARG 24 -4.382 -19.861 -8.460 185 2HG ARG 24 1HG ARG 24 -2.915 -20.392 -9.258 186 1HD ARG 24 1HD ARG 24 -4.470 -18.159 -9.966 187 2HD ARG 24 2HD ARG 24 -3.103 -17.447 -9.132 188 HE ARG 24 HE ARG 24 -2.016 -19.383 -10.871 189 1HH1 ARG 24 1HH1 ARG 24 -3.907 -16.403 -11.184 190 2HH1 ARG 24 2HH1 ARG 24 -3.272 -16.018 -12.749 191 2HH2 ARG 24 HH2 ARG 24 -1.669 -17.485 -13.759 192 QB ARG 24 QB ARG 24 -1.923 -19.207 -7.445 193 QG ARG 24 QG ARG 24 -3.649 -20.127 -8.859 194 QD ARG 24 QD ARG 24 -3.787 -17.803 -9.549 195 QH1 ARG 24 QH1 ARG 24 -3.589 -16.210 -11.966 196 H GLN 25 H GLN 25 -2.520 -20.254 -4.236 197 HA GLN 25 HA GLN 25 -3.522 -22.775 -4.797 198 1HB GLN 25 1HB GLN 25 -2.289 -21.430 -2.403 199 2HB GLN 25 2HB GLN 25 -3.065 -22.982 -2.155 200 1HG GLN 25 1HG GLN 25 -1.565 -23.383 -4.495 201 2HG GLN 25 2HG GLN 25 -0.527 -22.356 -3.526 202 2HE2 GLN 25 1HE2 GLN 25 -0.337 -22.974 -1.187 203 1HE2 GLN 25 2HE2 GLN 25 -0.161 -24.653 -0.803 204 QB GLN 25 QB GLN 25 -2.677 -22.206 -2.279 205 QG GLN 25 QG GLN 25 -1.046 -22.869 -4.011 206 QE GLN 25 QE GLN 25 -0.249 -23.814 -0.995 207 H VAL 26 H VAL 26 -4.810 -20.021 -2.897 208 HA VAL 26 HA VAL 26 -6.985 -21.568 -1.850 209 HB VAL 26 HB VAL 26 -7.489 -19.709 -0.625 210 1HG1 VAL 26 1HG1 VAL 26 -4.977 -20.423 -0.500 211 2HG1 VAL 26 2HG1 VAL 26 -4.676 -18.834 -1.244 212 3HG1 VAL 26 3HG1 VAL 26 -5.513 -18.939 0.323 213 1HG2 VAL 26 1HG2 VAL 26 -6.433 -18.041 -2.925 214 2HG2 VAL 26 2HG2 VAL 26 -8.111 -18.181 -2.347 215 3HG2 VAL 26 3HG2 VAL 26 -6.892 -17.357 -1.347 216 MG1 VAL 26 MG1 VAL 26 -5.056 -19.399 -0.474 217 MG2 VAL 26 MG2 VAL 26 -7.145 -17.860 -2.206 218 QG VAL 26 QG VAL 26 -6.100 -18.629 -1.340 219 H GLU 27 H GLU 27 -6.411 -19.217 -4.516 220 HA GLU 27 HA GLU 27 -8.848 -18.593 -5.302 221 1HB GLU 27 1HB GLU 27 -6.860 -17.886 -6.523 222 2HB GLU 27 2HB GLU 27 -6.535 -19.524 -7.052 223 1HG GLU 27 1HG GLU 27 -9.232 -18.928 -7.832 224 2HG GLU 27 2HG GLU 27 -8.261 -17.536 -8.272 225 HE2 GLU 27 HE2 GLU 27 -6.867 -19.004 -10.917 226 QB GLU 27 QB GLU 27 -6.698 -18.705 -6.788 227 QG GLU 27 QG GLU 27 -8.747 -18.232 -8.052 228 H ALA 28 H ALA 28 -10.656 -19.511 -6.317 229 HA ALA 28 HA ALA 28 -10.514 -22.430 -6.634 230 1HB ALA 28 3HB ALA 28 -12.674 -22.574 -5.787 231 2HB ALA 28 2HB ALA 28 -13.084 -20.907 -6.258 232 3HB ALA 28 1HB ALA 28 -12.034 -21.202 -4.851 233 MB ALA 28 MB ALA 28 -12.597 -21.561 -5.632 234 H GLY 29 H GLY 29 -11.860 -23.345 -8.403 235 1HA GLY 29 1HA GLY 29 -12.678 -23.382 -10.505 236 2HA GLY 29 2HA GLY 29 -12.926 -21.649 -10.426 237 QA GLY 29 QA GLY 29 -12.802 -22.516 -10.465 238 H ASN 30 H ASN 30 -12.180 -21.802 -12.760 239 HA ASN 30 HA ASN 30 -9.269 -21.673 -12.783 240 1HB ASN 30 1HB ASN 30 -10.623 -23.671 -14.038 241 2HB ASN 30 2HB ASN 30 -10.758 -22.454 -15.292 242 2HD2 ASN 30 1HD2 ASN 30 -8.978 -24.966 -14.237 243 1HD2 ASN 30 2HD2 ASN 30 -7.425 -24.609 -14.914 244 QB ASN 30 QB ASN 30 -10.690 -23.062 -14.665 245 QD ASN 30 QD ASN 30 -8.202 -24.787 -14.575 246 H THR 31 H THR 31 -10.498 -19.343 -12.262 247 HA THR 31 HA THR 31 -10.876 -18.025 -14.871 248 HB THR 31 HB THR 31 -12.277 -16.400 -13.495 249 HG1 THR 31 HG1 THR 31 -12.117 -18.569 -11.551 250 1HG2 THR 31 1HG2 THR 31 -12.991 -19.366 -13.536 251 2HG2 THR 31 2HG2 THR 31 -14.097 -18.157 -12.840 252 3HG2 THR 31 3HG2 THR 31 -13.646 -18.064 -14.559 253 MG THR 31 MG THR 31 -13.578 -18.529 -13.645 254 H GLY 32 H GLY 32 -9.323 -17.920 -11.649 255 1HA GLY 32 1HA GLY 32 -7.092 -17.110 -11.511 256 2HA GLY 32 2HA GLY 32 -7.444 -15.940 -12.768 257 QA GLY 32 QA GLY 32 -7.268 -16.525 -12.139 258 H ARG 33 H ARG 33 -9.734 -16.670 -10.119 259 HA ARG 33 HA ARG 33 -8.958 -14.165 -8.878 260 1HB ARG 33 2HB ARG 33 -10.919 -13.651 -10.274 261 2HB ARG 33 1HB ARG 33 -11.385 -13.587 -8.586 262 1HG ARG 33 1HG ARG 33 -11.992 -15.759 -10.621 263 2HG ARG 33 2HG ARG 33 -12.057 -16.113 -8.906 264 1HD ARG 33 1HD ARG 33 -13.676 -14.199 -8.601 265 2HD ARG 33 2HD ARG 33 -13.647 -13.924 -10.331 266 HE ARG 33 HE ARG 33 -15.025 -16.095 -8.932 267 1HH1 ARG 33 1HH1 ARG 33 -13.643 -15.089 -12.036 268 2HH1 ARG 33 2HH1 ARG 33 -14.622 -16.175 -12.964 269 2HH2 ARG 33 HH2 ARG 33 -16.187 -17.599 -11.839 270 QB ARG 33 QB ARG 33 -11.152 -13.619 -9.430 271 QG ARG 33 QG ARG 33 -12.024 -15.936 -9.764 272 QD ARG 33 QD ARG 33 -13.662 -14.061 -9.466 273 QH1 ARG 33 QH1 ARG 33 -14.132 -15.632 -12.500 274 H VAL 34 H VAL 34 -9.292 -14.107 -6.571 275 HA VAL 34 HA VAL 34 -9.632 -16.749 -5.418 276 HB VAL 34 HB VAL 34 -8.635 -14.092 -4.399 277 1HG1 VAL 34 1HG1 VAL 34 -9.343 -16.592 -2.872 278 2HG1 VAL 34 2HG1 VAL 34 -8.022 -15.535 -2.319 279 3HG1 VAL 34 3HG1 VAL 34 -9.673 -14.889 -2.471 280 1HG2 VAL 34 1HG2 VAL 34 -7.332 -16.778 -4.927 281 2HG2 VAL 34 2HG2 VAL 34 -7.011 -15.227 -5.739 282 3HG2 VAL 34 3HG2 VAL 34 -6.541 -15.455 -4.038 283 MG1 VAL 34 MG1 VAL 34 -9.013 -15.672 -2.554 284 MG2 VAL 34 MG2 VAL 34 -6.961 -15.820 -4.901 285 QG VAL 34 QG VAL 34 -7.987 -15.746 -3.728 286 H LEU 35 H LEU 35 -11.626 -17.416 -4.829 287 HA LEU 35 HA LEU 35 -13.817 -15.682 -4.731 288 1HB LEU 35 1HB LEU 35 -13.263 -18.495 -4.475 289 2HB LEU 35 2HB LEU 35 -14.401 -17.999 -3.237 290 HG LEU 35 HG LEU 35 -14.758 -17.451 -6.196 291 1HD1 LEU 35 1HD1 LEU 35 -15.853 -19.681 -4.468 292 2HD1 LEU 35 2HD1 LEU 35 -16.504 -19.245 -6.066 293 3HD1 LEU 35 3HD1 LEU 35 -14.826 -19.820 -5.916 294 1HD2 LEU 35 1HD2 LEU 35 -16.075 -16.428 -3.863 295 2HD2 LEU 35 2HD2 LEU 35 -16.382 -16.074 -5.580 296 3HD2 LEU 35 3HD2 LEU 35 -17.214 -17.435 -4.789 297 MD1 LEU 35 MD1 LEU 35 -15.728 -19.582 -5.483 298 MD2 LEU 35 MD2 LEU 35 -16.557 -16.646 -4.744 299 QB LEU 35 QB LEU 35 -13.832 -18.247 -3.856 300 QD LEU 35 QD LEU 35 -16.142 -18.114 -5.114 301 H ALA 36 H ALA 36 -11.214 -16.102 -2.562 302 HA ALA 36 HA ALA 36 -10.836 -14.971 -0.660 303 1HB ALA 36 3HB ALA 36 -12.346 -13.428 0.212 304 2HB ALA 36 2HB ALA 36 -13.762 -14.427 -0.193 305 3HB ALA 36 1HB ALA 36 -12.902 -13.541 -1.475 306 MB ALA 36 MB ALA 36 -13.003 -13.799 -0.486 307 H LEU 37 H LEU 37 -13.994 -16.772 -0.589 308 HA LEU 37 HA LEU 37 -13.953 -17.669 1.955 309 1HB LEU 37 1HB LEU 37 -14.874 -18.923 -0.612 310 2HB LEU 37 2HB LEU 37 -15.036 -19.782 0.907 311 HG LEU 37 HG LEU 37 -17.093 -18.598 0.234 312 1HD1 LEU 37 1HD1 LEU 37 -15.816 -18.550 2.780 313 2HD1 LEU 37 2HD1 LEU 37 -16.715 -17.027 2.581 314 3HD1 LEU 37 3HD1 LEU 37 -17.555 -18.586 2.400 315 1HD2 LEU 37 1HD2 LEU 37 -15.967 -16.687 -0.893 316 2HD2 LEU 37 2HD2 LEU 37 -17.257 -16.199 0.232 317 3HD2 LEU 37 3HD2 LEU 37 -15.550 -16.035 0.710 318 MD1 LEU 37 MD1 LEU 37 -16.695 -18.055 2.587 319 MD2 LEU 37 MD2 LEU 37 -16.258 -16.307 0.016 320 QB LEU 37 QB LEU 37 -14.955 -19.353 0.148 321 QD LEU 37 QD LEU 37 -16.477 -17.181 1.302 322 H ASP 38 H ASP 38 -12.271 -19.204 -0.869 323 HA ASP 38 HA ASP 38 -11.202 -21.294 0.540 324 1HB ASP 38 1HB ASP 38 -10.939 -20.110 -2.059 325 2HB ASP 38 2HB ASP 38 -9.312 -20.322 -1.446 326 HD2 ASP 38 HD2 ASP 38 -11.932 -21.830 -2.768 327 QB ASP 38 QB ASP 38 -10.125 -20.216 -1.753 328 H ALA 39 H ALA 39 -10.135 -17.890 0.070 329 HA ALA 39 HA ALA 39 -7.541 -18.011 0.918 330 1HB ALA 39 3HB ALA 39 -7.710 -15.745 0.873 331 2HB ALA 39 1HB ALA 39 -9.337 -16.057 0.222 332 3HB ALA 39 2HB ALA 39 -9.120 -15.729 1.958 333 MB ALA 39 MB ALA 39 -8.722 -15.844 1.018 334 H ALA 40 H ALA 40 -10.495 -17.483 2.975 335 HA ALA 40 HA ALA 40 -9.217 -17.411 5.404 336 1HB ALA 40 2HB ALA 40 -11.877 -18.792 5.074 337 2HB ALA 40 1HB ALA 40 -11.721 -17.070 4.652 338 3HB ALA 40 3HB ALA 40 -11.357 -17.618 6.306 339 MB ALA 40 MB ALA 40 -11.652 -17.826 5.344 340 H ALA 41 H ALA 41 -9.946 -20.156 3.264 341 HA ALA 41 HA ALA 41 -9.609 -22.176 5.195 342 1HB ALA 41 1HB ALA 41 -10.569 -22.113 2.699 343 2HB ALA 41 3HB ALA 41 -9.904 -23.604 3.407 344 3HB ALA 41 2HB ALA 41 -8.906 -22.616 2.313 345 MB ALA 41 MB ALA 41 -9.793 -22.778 2.806 346 H PHE 42 H PHE 42 -7.371 -20.659 2.777 347 HA PHE 42 HA PHE 42 -5.160 -22.214 3.520 348 1HB PHE 42 1HB PHE 42 -5.364 -20.945 1.388 349 2HB PHE 42 2HB PHE 42 -5.557 -19.438 2.260 350 HD1 PHE 42 HD1 PHE 42 -3.128 -22.126 1.493 351 HD2 PHE 42 HD2 PHE 42 -3.681 -18.160 2.898 352 HE1 PHE 42 HE1 PHE 42 -0.651 -21.736 1.369 353 HE2 PHE 42 HE2 PHE 42 -1.205 -17.770 2.774 354 HZ PHE 42 HZ PHE 42 0.281 -19.563 2.011 355 QB PHE 42 QB PHE 42 -5.461 -20.192 1.824 356 QD PHE 42 QD PHE 42 -3.405 -20.143 2.195 357 QE PHE 42 QE PHE 42 -0.928 -19.753 2.071 358 QR PHE 42 QR PHE 42 -2.166 -19.948 2.133 359 H LEU 43 H LEU 43 -6.549 -19.163 4.763 360 HA LEU 43 HA LEU 43 -4.272 -18.407 6.247 361 1HB LEU 43 1HB LEU 43 -7.191 -17.671 6.387 362 2HB LEU 43 2HB LEU 43 -5.992 -16.988 7.467 363 HG LEU 43 HG LEU 43 -5.855 -16.788 4.447 364 1HD1 LEU 43 1HD1 LEU 43 -7.864 -15.663 5.511 365 2HD1 LEU 43 2HD1 LEU 43 -6.709 -14.591 6.338 366 3HD1 LEU 43 3HD1 LEU 43 -6.782 -14.618 4.560 367 1HD2 LEU 43 1HD2 LEU 43 -4.291 -15.417 6.650 368 2HD2 LEU 43 2HD2 LEU 43 -3.678 -16.583 5.452 369 3HD2 LEU 43 3HD2 LEU 43 -4.227 -14.972 4.928 370 MD1 LEU 43 MD1 LEU 43 -7.118 -14.957 5.470 371 MD2 LEU 43 MD2 LEU 43 -4.065 -15.658 5.676 372 QB LEU 43 QB LEU 43 -6.591 -17.330 6.927 373 QD LEU 43 QD LEU 43 -5.592 -15.307 5.573 374 H LYS 44 H LYS 44 -7.299 -20.219 7.058 375 HA LYS 44 HA LYS 44 -6.805 -20.544 9.748 376 1HB LYS 44 1HB LYS 44 -8.296 -22.211 7.718 377 2HB LYS 44 2HB LYS 44 -8.223 -22.668 9.408 378 1HG LYS 44 1HG LYS 44 -8.875 -19.814 9.080 379 2HG LYS 44 2HG LYS 44 -10.025 -20.840 8.247 380 1HD LYS 44 1HD LYS 44 -9.295 -21.800 10.967 381 2HD LYS 44 2HD LYS 44 -10.102 -20.245 10.953 382 1HE LYS 44 2HE LYS 44 -11.640 -21.680 9.141 383 2HE LYS 44 1HE LYS 44 -12.043 -21.436 10.829 384 QB LYS 44 QB LYS 44 -8.259 -22.439 8.563 385 QD LYS 44 QD LYS 44 -9.698 -21.023 10.960 386 QG LYS 44 QG LYS 44 -9.450 -20.327 8.663 387 QE LYS 44 QE LYS 44 -11.842 -21.558 9.985 388 QZ LYS 44 QZ LYS 44 -11.602 -23.725 10.472 389 H LYS 45 H LYS 45 -5.119 -21.844 6.989 390 HA LYS 45 HA LYS 45 -4.076 -24.116 8.390 391 1HB LYS 45 1HB LYS 45 -3.150 -22.883 5.781 392 2HB LYS 45 2HB LYS 45 -2.791 -24.492 6.374 393 1HG LYS 45 1HG LYS 45 -5.676 -24.051 6.397 394 2HG LYS 45 2HG LYS 45 -5.032 -23.683 4.809 395 1HD LYS 45 1HD LYS 45 -3.892 -26.155 5.987 396 2HD LYS 45 2HD LYS 45 -5.628 -26.235 5.761 397 1HE LYS 45 1HE LYS 45 -5.420 -25.692 3.384 398 2HE LYS 45 2HE LYS 45 -3.713 -25.335 3.561 399 QB LYS 45 QB LYS 45 -2.970 -23.687 6.078 400 QD LYS 45 QD LYS 45 -4.760 -26.195 5.874 401 QG LYS 45 QG LYS 45 -5.354 -23.867 5.603 402 QE LYS 45 QE LYS 45 -4.566 -25.514 3.472 403 QZ LYS 45 QZ LYS 45 -4.176 -27.688 3.150 404 H SER 46 H SER 46 -3.698 -20.905 8.933 405 HA SER 46 HA SER 46 -0.877 -20.744 8.979 406 1HB SER 46 2HB SER 46 -2.370 -18.759 8.736 407 2HB SER 46 1HB SER 46 -1.230 -18.579 10.055 408 HG SER 46 HG SER 46 -4.057 -19.068 10.161 409 QB SER 46 QB SER 46 -1.800 -18.669 9.395 410 H GLY 47 H GLY 47 -3.257 -20.439 11.720 411 1HA GLY 47 1HA GLY 47 -2.663 -22.477 13.326 412 2HA GLY 47 2HA GLY 47 -1.252 -21.465 13.563 413 QA GLY 47 QA GLY 47 -1.957 -21.971 13.445 414 H LEU 48 H LEU 48 -2.858 -18.931 13.023 415 HA LEU 48 HA LEU 48 -3.549 -18.419 15.703 416 1HB LEU 48 1HB LEU 48 -3.723 -16.947 13.107 417 2HB LEU 48 2HB LEU 48 -4.591 -16.325 14.496 418 HG LEU 48 HG LEU 48 -1.669 -16.990 14.737 419 1HD1 LEU 48 1HD1 LEU 48 -2.878 -14.684 13.259 420 2HD1 LEU 48 2HD1 LEU 48 -1.404 -14.425 14.223 421 3HD1 LEU 48 3HD1 LEU 48 -1.409 -15.627 12.910 422 1HD2 LEU 48 1HD2 LEU 48 -3.553 -15.079 16.133 423 2HD2 LEU 48 2HD2 LEU 48 -2.733 -16.508 16.807 424 3HD2 LEU 48 3HD2 LEU 48 -1.787 -15.068 16.360 425 MD1 LEU 48 MD1 LEU 48 -1.897 -14.912 13.464 426 MD2 LEU 48 MD2 LEU 48 -2.691 -15.552 16.433 427 QB LEU 48 QB LEU 48 -4.157 -16.636 13.801 428 QD LEU 48 QD LEU 48 -2.294 -15.232 14.949 429 HA PRO 49 HA PRO 49 -7.728 -19.490 15.796 430 1HB PRO 49 1HB PRO 49 -8.838 -17.610 17.440 431 2HB PRO 49 2HB PRO 49 -7.917 -18.978 18.033 432 1HG PRO 49 2HG PRO 49 -6.394 -17.425 18.798 433 2HG PRO 49 1HG PRO 49 -7.107 -16.142 17.841 434 1HD PRO 49 1HD PRO 49 -5.368 -16.338 16.350 435 2HD PRO 49 2HD PRO 49 -4.719 -17.697 17.246 436 QB PRO 49 QB PRO 49 -8.378 -18.294 17.737 437 QG PRO 49 QG PRO 49 -6.750 -16.784 18.320 438 QD PRO 49 QD PRO 49 -5.044 -17.017 16.798 439 H ASP 50 H ASP 50 -10.074 -18.864 15.439 440 HA ASP 50 HA ASP 50 -10.081 -17.535 12.966 441 1HB ASP 50 1HB ASP 50 -12.435 -18.235 14.782 442 2HB ASP 50 2HB ASP 50 -12.537 -17.872 13.071 443 HD2 ASP 50 HD2 ASP 50 -13.098 -20.582 12.459 444 QB ASP 50 QB ASP 50 -12.486 -18.054 13.927 445 H LEU 51 H LEU 51 -10.732 -16.694 16.373 446 HA LEU 51 HA LEU 51 -12.232 -14.381 15.980 447 1HB LEU 51 1HB LEU 51 -12.345 -14.847 18.144 448 2HB LEU 51 2HB LEU 51 -10.834 -15.734 18.135 449 HG LEU 51 HG LEU 51 -9.575 -13.636 18.362 450 1HD1 LEU 51 1HD1 LEU 51 -11.654 -12.360 17.254 451 2HD1 LEU 51 2HD1 LEU 51 -12.010 -12.042 18.969 452 3HD1 LEU 51 3HD1 LEU 51 -10.446 -11.546 18.278 453 1HD2 LEU 51 1HD2 LEU 51 -10.630 -14.996 20.324 454 2HD2 LEU 51 2HD2 LEU 51 -9.886 -13.410 20.637 455 3HD2 LEU 51 3HD2 LEU 51 -11.656 -13.556 20.524 456 MD1 LEU 51 MD1 LEU 51 -11.370 -11.983 18.167 457 MD2 LEU 51 MD2 LEU 51 -10.724 -13.987 20.495 458 QB LEU 51 QB LEU 51 -11.590 -15.291 18.139 459 QD LEU 51 QD LEU 51 -11.047 -12.985 19.331 460 H ILE 52 H ILE 52 -8.684 -14.627 16.753 461 HA ILE 52 HA ILE 52 -8.129 -11.973 16.232 462 HB ILE 52 HB ILE 52 -6.367 -14.413 15.986 463 1HG1 ILE 52 1HG1 ILE 52 -7.605 -13.885 18.198 464 2HG1 ILE 52 2HG1 ILE 52 -5.886 -14.223 18.242 465 1HG2 ILE 52 1HG2 ILE 52 -5.738 -11.465 15.966 466 2HG2 ILE 52 2HG2 ILE 52 -4.552 -12.674 16.514 467 3HG2 ILE 52 3HG2 ILE 52 -5.189 -12.741 14.854 468 1HD1 ILE 52 1HD1 ILE 52 -7.072 -11.412 18.123 469 2HD1 ILE 52 2HD1 ILE 52 -6.526 -12.219 19.614 470 3HD1 ILE 52 3HD1 ILE 52 -5.354 -11.829 18.332 471 MG ILE 52 MG ILE 52 -5.160 -12.294 15.778 472 MD ILE 52 MD ILE 52 -6.317 -11.820 18.690 473 QG ILE 52 QG ILE 52 -6.745 -14.054 18.220 474 H LEU 53 H LEU 53 -8.423 -14.785 14.040 475 HA LEU 53 HA LEU 53 -7.284 -13.571 11.795 476 1HB LEU 53 1HB LEU 53 -8.961 -15.927 12.392 477 2HB LEU 53 2HB LEU 53 -9.079 -15.316 10.754 478 HG LEU 53 HG LEU 53 -6.512 -16.136 12.142 479 1HD1 LEU 53 1HD1 LEU 53 -8.429 -17.585 10.368 480 2HD1 LEU 53 2HD1 LEU 53 -6.687 -17.897 10.173 481 3HD1 LEU 53 3HD1 LEU 53 -7.469 -18.171 11.748 482 1HD2 LEU 53 1HD2 LEU 53 -7.070 -14.755 9.578 483 2HD2 LEU 53 2HD2 LEU 53 -5.641 -14.694 10.637 484 3HD2 LEU 53 3HD2 LEU 53 -5.870 -16.069 9.530 485 MD1 LEU 53 MD1 LEU 53 -7.528 -17.884 10.763 486 MD2 LEU 53 MD2 LEU 53 -6.194 -15.173 9.915 487 QB LEU 53 QB LEU 53 -9.020 -15.622 11.573 488 QD LEU 53 QD LEU 53 -6.861 -16.529 10.339 489 H GLY 54 H GLY 54 -10.717 -13.783 12.939 490 1HA GLY 54 1HA GLY 54 -12.079 -12.594 10.949 491 2HA GLY 54 2HA GLY 54 -12.405 -12.302 12.645 492 QA GLY 54 QA GLY 54 -12.242 -12.448 11.797 493 H LYS 55 H LYS 55 -10.046 -10.902 13.429 494 HA LYS 55 HA LYS 55 -10.712 -8.317 12.622 495 1HB LYS 55 1HB LYS 55 -8.388 -9.518 14.125 496 2HB LYS 55 2HB LYS 55 -8.435 -7.807 13.750 497 1HG LYS 55 1HG LYS 55 -11.011 -8.292 14.732 498 2HG LYS 55 2HG LYS 55 -10.017 -9.342 15.723 499 1HD LYS 55 1HD LYS 55 -8.826 -7.567 16.674 500 2HD LYS 55 2HD LYS 55 -9.029 -6.533 15.273 501 1HE LYS 55 1HE LYS 55 -11.627 -6.686 15.977 502 2HE LYS 55 2HE LYS 55 -10.942 -7.047 17.549 503 QB LYS 55 QB LYS 55 -8.411 -8.662 13.937 504 QD LYS 55 QD LYS 55 -8.928 -7.050 15.974 505 QG LYS 55 QG LYS 55 -10.514 -8.817 15.228 506 QE LYS 55 QE LYS 55 -11.284 -6.867 16.763 507 QZ LYS 55 QZ LYS 55 -10.378 -4.692 16.392 508 H ILE 56 H ILE 56 -8.135 -10.601 11.554 509 HA ILE 56 HA ILE 56 -6.764 -8.831 9.922 510 HB ILE 56 HB ILE 56 -7.158 -11.817 9.764 511 1HG1 ILE 56 1HG1 ILE 56 -4.912 -10.120 10.891 512 2HG1 ILE 56 2HG1 ILE 56 -6.101 -11.006 11.825 513 1HG2 ILE 56 1HG2 ILE 56 -6.374 -10.400 7.630 514 2HG2 ILE 56 2HG2 ILE 56 -4.810 -10.535 8.469 515 3HG2 ILE 56 3HG2 ILE 56 -5.714 -12.004 8.029 516 1HD1 ILE 56 1HD1 ILE 56 -4.810 -12.727 9.822 517 2HD1 ILE 56 2HD1 ILE 56 -3.633 -11.992 10.937 518 3HD1 ILE 56 3HD1 ILE 56 -4.979 -12.965 11.578 519 MG ILE 56 MG ILE 56 -5.633 -10.980 8.042 520 MD ILE 56 MD ILE 56 -4.474 -12.562 10.779 521 QG ILE 56 QG ILE 56 -5.506 -10.563 11.358 522 H TRP 57 H TRP 57 -9.446 -11.135 9.085 523 HA TRP 57 HA TRP 57 -9.656 -10.422 6.426 524 1HB TRP 57 1HB TRP 57 -10.728 -12.359 7.616 525 2HB TRP 57 2HB TRP 57 -11.926 -11.243 8.241 526 HD1 TRP 57 HD1 TRP 57 -13.640 -10.138 6.358 527 HE1 TRP 57 HE1 TRP 57 -14.513 -10.964 4.008 528 HE3 TRP 57 HE3 TRP 57 -10.001 -13.617 5.642 529 HZ2 TRP 57 HZ2 TRP 57 -13.604 -12.936 2.156 530 HZ3 TRP 57 HZ3 TRP 57 -10.067 -14.950 3.537 531 HH2 TRP 57 HH2 TRP 57 -11.788 -14.654 1.826 532 QB TRP 57 QB TRP 57 -11.327 -11.801 7.928 533 H ASP 58 H ASP 58 -11.514 -9.183 9.303 534 HA ASP 58 HA ASP 58 -13.057 -7.375 8.115 535 1HB ASP 58 1HB ASP 58 -12.611 -7.935 10.656 536 2HB ASP 58 2HB ASP 58 -11.482 -6.596 10.592 537 HD2 ASP 58 HD2 ASP 58 -13.647 -4.290 9.671 538 QB ASP 58 QB ASP 58 -12.046 -7.266 10.624 539 H LEU 59 H LEU 59 -9.627 -6.887 9.237 540 HA LEU 59 HA LEU 59 -9.467 -4.246 8.228 541 1HB LEU 59 1HB LEU 59 -8.069 -4.711 10.011 542 2HB LEU 59 2HB LEU 59 -7.552 -6.251 9.354 543 HG LEU 59 HG LEU 59 -5.849 -4.363 9.382 544 1HD1 LEU 59 1HD1 LEU 59 -6.246 -6.484 7.614 545 2HD1 LEU 59 2HD1 LEU 59 -5.830 -5.100 6.576 546 3HD1 LEU 59 3HD1 LEU 59 -4.737 -5.584 7.894 547 1HD2 LEU 59 1HD2 LEU 59 -7.896 -3.174 7.640 548 2HD2 LEU 59 2HD2 LEU 59 -6.598 -2.408 8.588 549 3HD2 LEU 59 3HD2 LEU 59 -6.242 -3.099 6.987 550 MD1 LEU 59 MD1 LEU 59 -5.604 -5.723 7.361 551 MD2 LEU 59 MD2 LEU 59 -6.912 -2.894 7.738 552 QB LEU 59 QB LEU 59 -7.811 -5.481 9.683 553 QD LEU 59 QD LEU 59 -6.258 -4.308 7.550 554 H ALA 60 H ALA 60 -9.078 -7.479 6.875 555 HA ALA 60 HA ALA 60 -7.509 -6.661 4.650 556 1HB ALA 60 2HB ALA 60 -9.303 -9.101 4.896 557 2HB ALA 60 1HB ALA 60 -7.700 -8.991 5.662 558 3HB ALA 60 3HB ALA 60 -7.847 -8.909 3.890 559 MB ALA 60 MB ALA 60 -8.284 -9.001 4.816 560 H ASP 61 H ASP 61 -10.912 -7.939 4.726 561 HA ASP 61 HA ASP 61 -11.711 -7.301 2.319 562 1HB ASP 61 1HB ASP 61 -13.154 -8.263 4.116 563 2HB ASP 61 2HB ASP 61 -13.267 -6.688 4.876 564 HD2 ASP 61 HD2 ASP 61 -15.876 -5.746 3.475 565 QB ASP 61 QB ASP 61 -13.211 -7.475 4.496 566 H THR 62 H THR 62 -11.945 -5.424 1.066 567 HA THR 62 HA THR 62 -12.588 -2.910 2.262 568 HB THR 62 HB THR 62 -9.753 -3.517 1.301 569 HG1 THR 62 HG1 THR 62 -9.512 -2.323 3.444 570 1HG2 THR 62 1HG2 THR 62 -11.070 -1.201 0.559 571 2HG2 THR 62 2HG2 THR 62 -10.476 -0.755 2.177 572 3HG2 THR 62 3HG2 THR 62 -9.328 -1.277 0.920 573 MG THR 62 MG THR 62 -10.291 -1.077 1.219 574 H ASP 63 H ASP 63 -11.341 -4.727 -0.585 575 HA ASP 63 HA ASP 63 -11.913 -2.968 -2.527 576 1HB ASP 63 1HB ASP 63 -10.953 -5.331 -2.726 577 2HB ASP 63 2HB ASP 63 -12.593 -5.943 -2.646 578 HD2 ASP 63 HD2 ASP 63 -12.629 -6.659 -5.060 579 QB ASP 63 QB ASP 63 -11.773 -5.637 -2.686 580 H GLY 64 H GLY 64 -14.136 -5.338 -0.905 581 1HA GLY 64 1HA GLY 64 -16.380 -4.210 -0.492 582 2HA GLY 64 2HA GLY 64 -16.434 -4.051 -2.237 583 QA GLY 64 QA GLY 64 -16.407 -4.131 -1.364 584 H LYS 65 H LYS 65 -15.744 -6.297 -3.411 585 HA LYS 65 HA LYS 65 -17.743 -8.151 -2.549 586 1HB LYS 65 1HB LYS 65 -17.216 -9.331 -4.594 587 2HB LYS 65 2HB LYS 65 -17.373 -7.617 -4.921 588 1HG LYS 65 1HG LYS 65 -14.783 -7.502 -4.604 589 2HG LYS 65 2HG LYS 65 -14.813 -9.251 -4.720 590 1HD LYS 65 1HD LYS 65 -15.837 -9.146 -6.951 591 2HD LYS 65 2HD LYS 65 -16.031 -7.409 -6.829 592 1HE LYS 65 1HE LYS 65 -13.764 -6.981 -7.185 593 2HE LYS 65 2HE LYS 65 -13.249 -8.486 -6.451 594 QB LYS 65 QB LYS 65 -17.294 -8.474 -4.758 595 QD LYS 65 QD LYS 65 -15.934 -8.277 -6.890 596 QG LYS 65 QG LYS 65 -14.798 -8.376 -4.662 597 QE LYS 65 QE LYS 65 -13.506 -7.733 -6.818 598 QZ LYS 65 QZ LYS 65 -13.945 -9.248 -8.611 599 H GLY 66 H GLY 66 -17.433 -10.312 -1.829 600 1HA GLY 66 1HA GLY 66 -15.612 -10.776 0.118 601 2HA GLY 66 2HA GLY 66 -16.352 -12.036 -0.849 602 QA GLY 66 QA GLY 66 -15.982 -11.406 -0.366 603 H VAL 67 H VAL 67 -15.247 -11.600 -3.401 604 HA VAL 67 HA VAL 67 -12.971 -13.003 -3.403 605 HB VAL 67 HB VAL 67 -13.535 -10.686 -5.260 606 1HG1 VAL 67 1HG1 VAL 67 -11.334 -12.227 -5.256 607 2HG1 VAL 67 2HG1 VAL 67 -12.409 -13.277 -6.209 608 3HG1 VAL 67 3HG1 VAL 67 -12.082 -11.614 -6.751 609 1HG2 VAL 67 1HG2 VAL 67 -14.917 -13.300 -4.887 610 2HG2 VAL 67 2HG2 VAL 67 -15.546 -11.738 -5.463 611 3HG2 VAL 67 3HG2 VAL 67 -14.606 -12.777 -6.560 612 MG1 VAL 67 MG1 VAL 67 -11.942 -12.373 -6.072 613 MG2 VAL 67 MG2 VAL 67 -15.023 -12.605 -5.637 614 QG VAL 67 QG VAL 67 -13.482 -12.489 -5.854 615 H LEU 68 H LEU 68 -10.693 -12.589 -3.440 616 HA LEU 68 HA LEU 68 -10.015 -10.162 -1.957 617 1HB LEU 68 1HB LEU 68 -8.498 -12.748 -2.331 618 2HB LEU 68 2HB LEU 68 -7.941 -11.370 -1.402 619 HG LEU 68 HG LEU 68 -10.402 -13.031 -0.791 620 1HD1 LEU 68 1HD1 LEU 68 -7.669 -12.954 0.512 621 2HD1 LEU 68 2HD1 LEU 68 -9.096 -13.777 1.187 622 3HD1 LEU 68 3HD1 LEU 68 -8.411 -14.313 -0.367 623 1HD2 LEU 68 1HD2 LEU 68 -9.370 -10.471 0.313 624 2HD2 LEU 68 2HD2 LEU 68 -11.036 -11.080 0.173 625 3HD2 LEU 68 3HD2 LEU 68 -9.978 -11.673 1.476 626 MD1 LEU 68 MD1 LEU 68 -8.392 -13.681 0.444 627 MD2 LEU 68 MD2 LEU 68 -10.128 -11.075 0.654 628 QB LEU 68 QB LEU 68 -8.219 -12.059 -1.866 629 QD LEU 68 QD LEU 68 -9.260 -12.378 0.549 630 H SER 69 H SER 69 -7.579 -9.462 -2.516 631 HA SER 69 HA SER 69 -7.405 -9.432 -5.425 632 1HB SER 69 1HB SER 69 -6.534 -7.044 -3.791 633 2HB SER 69 2HB SER 69 -7.005 -7.110 -5.478 634 HG SER 69 HG SER 69 -8.983 -6.598 -4.871 635 QB SER 69 QB SER 69 -6.770 -7.077 -4.635 636 H LYS 70 H LYS 70 -4.980 -7.585 -5.097 637 HA LYS 70 HA LYS 70 -3.086 -9.714 -4.658 638 1HB LYS 70 1HB LYS 70 -2.897 -6.888 -5.709 639 2HB LYS 70 2HB LYS 70 -1.468 -7.843 -5.367 640 1HG LYS 70 2HG LYS 70 -3.004 -9.648 -6.811 641 2HG LYS 70 1HG LYS 70 -1.712 -8.670 -7.477 642 1HD LYS 70 1HD LYS 70 -4.380 -7.325 -7.248 643 2HD LYS 70 2HD LYS 70 -3.167 -7.181 -8.504 644 1HE LYS 70 1HE LYS 70 -3.980 -9.862 -8.706 645 2HE LYS 70 2HE LYS 70 -5.470 -9.020 -8.330 646 QB LYS 70 QB LYS 70 -2.182 -7.365 -5.538 647 QD LYS 70 QD LYS 70 -3.774 -7.253 -7.876 648 QG LYS 70 QG LYS 70 -2.358 -9.159 -7.144 649 QE LYS 70 QE LYS 70 -4.725 -9.441 -8.518 650 QZ LYS 70 QZ LYS 70 -4.097 -8.235 -10.499 651 H GLN 71 H GLN 71 -2.371 -6.353 -3.746 652 HA GLN 71 HA GLN 71 -0.984 -6.881 -1.558 653 1HB GLN 71 1HB GLN 71 -2.529 -4.576 -2.545 654 2HB GLN 71 2HB GLN 71 -2.370 -4.565 -0.800 655 1HG GLN 71 1HG GLN 71 0.046 -5.088 -2.569 656 2HG GLN 71 2HG GLN 71 -0.483 -3.449 -2.245 657 2HE2 GLN 71 1HE2 GLN 71 0.462 -2.492 -0.627 658 1HE2 GLN 71 2HE2 GLN 71 1.117 -3.226 0.798 659 QB GLN 71 QB GLN 71 -2.449 -4.570 -1.672 660 QG GLN 71 QG GLN 71 -0.219 -4.268 -2.407 661 QE GLN 71 QE GLN 71 0.789 -2.859 0.086 662 H GLU 72 H GLU 72 -4.578 -6.374 -1.626 663 HA GLU 72 HA GLU 72 -5.189 -6.468 0.943 664 1HB GLU 72 1HB GLU 72 -6.528 -7.787 -1.435 665 2HB GLU 72 2HB GLU 72 -7.242 -7.913 0.161 666 1HG GLU 72 1HG GLU 72 -6.394 -5.187 -0.844 667 2HG GLU 72 2HG GLU 72 -7.876 -5.890 -1.461 668 HE2 GLU 72 HE2 GLU 72 -9.015 -6.815 1.391 669 QB GLU 72 QB GLU 72 -6.885 -7.850 -0.637 670 QG GLU 72 QG GLU 72 -7.135 -5.539 -1.153 671 H PHE 73 H PHE 73 -5.117 -9.530 -1.032 672 HA PHE 73 HA PHE 73 -5.171 -11.212 1.177 673 1HB PHE 73 1HB PHE 73 -5.698 -12.057 -1.031 674 2HB PHE 73 2HB PHE 73 -4.262 -11.343 -1.736 675 HD1 PHE 73 HD1 PHE 73 -2.082 -12.435 -1.494 676 HD2 PHE 73 HD2 PHE 73 -5.605 -14.203 0.078 677 HE1 PHE 73 HE1 PHE 73 -0.882 -14.628 -1.271 678 HE2 PHE 73 HE2 PHE 73 -4.405 -16.396 0.301 679 HZ PHE 73 HZ PHE 73 -2.058 -16.583 -0.376 680 QB PHE 73 QB PHE 73 -4.980 -11.700 -1.384 681 QD PHE 73 QD PHE 73 -3.844 -13.319 -0.708 682 QE PHE 73 QE PHE 73 -2.644 -15.512 -0.485 683 QR PHE 73 QR PHE 73 -3.244 -14.416 -0.597 684 H PHE 74 H PHE 74 -2.415 -9.847 -0.718 685 HA PHE 74 HA PHE 74 -0.416 -11.348 0.493 686 1HB PHE 74 1HB PHE 74 -0.798 -8.842 -1.094 687 2HB PHE 74 2HB PHE 74 0.643 -8.798 -0.097 688 HD1 PHE 74 HD1 PHE 74 -1.087 -11.034 -2.534 689 HD2 PHE 74 HD2 PHE 74 2.606 -9.680 -0.941 690 HE1 PHE 74 HE1 PHE 74 0.149 -12.374 -4.259 691 HE2 PHE 74 HE2 PHE 74 3.842 -11.021 -2.667 692 HZ PHE 74 HZ PHE 74 2.598 -12.352 -4.305 693 QB PHE 74 QB PHE 74 -0.078 -8.820 -0.596 694 QD PHE 74 QD PHE 74 0.760 -10.357 -1.738 695 QE PHE 74 QE PHE 74 1.995 -11.698 -3.463 696 QR PHE 74 QR PHE 74 1.377 -11.028 -2.600 697 H VAL 75 H VAL 75 -2.413 -8.782 1.750 698 HA VAL 75 HA VAL 75 -0.474 -7.974 3.730 699 HB VAL 75 HB VAL 75 -3.166 -7.135 2.806 700 1HG1 VAL 75 1HG1 VAL 75 -2.221 -6.839 5.661 701 2HG1 VAL 75 2HG1 VAL 75 -3.326 -5.660 4.912 702 3HG1 VAL 75 3HG1 VAL 75 -3.809 -7.368 5.055 703 1HG2 VAL 75 1HG2 VAL 75 -0.686 -6.154 2.428 704 2HG2 VAL 75 2HG2 VAL 75 -2.148 -5.138 2.419 705 3HG2 VAL 75 3HG2 VAL 75 -1.142 -5.237 3.884 706 MG1 VAL 75 MG1 VAL 75 -3.119 -6.622 5.209 707 MG2 VAL 75 MG2 VAL 75 -1.326 -5.509 2.911 708 QG VAL 75 QG VAL 75 -2.222 -6.066 4.060 709 H ALA 76 H ALA 76 -3.858 -9.307 3.883 710 HA ALA 76 HA ALA 76 -3.926 -9.982 6.489 711 1HB ALA 76 1HB ALA 76 -4.989 -11.535 4.095 712 2HB ALA 76 3HB ALA 76 -5.817 -10.225 4.971 713 3HB ALA 76 2HB ALA 76 -5.514 -11.782 5.778 714 MB ALA 76 MB ALA 76 -5.440 -11.181 4.948 715 H LEU 77 H LEU 77 -2.047 -11.520 3.896 716 HA LEU 77 HA LEU 77 -1.519 -13.942 5.165 717 1HB LEU 77 1HB LEU 77 -0.832 -12.635 2.789 718 2HB LEU 77 2HB LEU 77 0.696 -12.954 3.584 719 HG LEU 77 HG LEU 77 -1.399 -14.940 2.699 720 1HD1 LEU 77 1HD1 LEU 77 1.211 -14.044 1.729 721 2HD1 LEU 77 2HD1 LEU 77 1.089 -15.813 1.887 722 3HD1 LEU 77 3HD1 LEU 77 -0.090 -14.925 0.892 723 1HD2 LEU 77 1HD2 LEU 77 0.307 -15.148 5.012 724 2HD2 LEU 77 2HD2 LEU 77 -0.907 -16.291 4.387 725 3HD2 LEU 77 3HD2 LEU 77 0.770 -16.361 3.795 726 MD1 LEU 77 MD1 LEU 77 0.737 -14.927 1.503 727 MD2 LEU 77 MD2 LEU 77 0.057 -15.933 4.398 728 QB LEU 77 QB LEU 77 -0.068 -12.795 3.186 729 QD LEU 77 QD LEU 77 0.397 -15.430 2.950 730 H ARG 78 H ARG 78 0.951 -11.323 4.771 731 HA ARG 78 HA ARG 78 2.529 -12.215 6.785 732 1HB ARG 78 1HB ARG 78 2.105 -9.481 5.536 733 2HB ARG 78 2HB ARG 78 3.231 -9.649 6.869 734 1HG ARG 78 1HG ARG 78 3.335 -11.101 4.187 735 2HG ARG 78 2HG ARG 78 4.468 -9.902 4.780 736 1HD ARG 78 1HD ARG 78 5.687 -11.738 5.433 737 2HD ARG 78 2HD ARG 78 4.623 -11.717 6.825 738 HE ARG 78 HE ARG 78 3.144 -13.216 5.116 739 1HH1 ARG 78 1HH1 ARG 78 6.599 -13.388 5.882 740 2HH1 ARG 78 2HH1 ARG 78 6.711 -15.088 5.570 741 2HH2 ARG 78 HH2 ARG 78 4.753 -16.285 4.879 742 QB ARG 78 QB ARG 78 2.668 -9.564 6.202 743 QG ARG 78 QG ARG 78 3.901 -10.501 4.484 744 QD ARG 78 QD ARG 78 5.155 -11.728 6.129 745 QH1 ARG 78 QH1 ARG 78 6.655 -14.238 5.726 746 H LEU 79 H LEU 79 -0.485 -10.387 6.922 747 HA LEU 79 HA LEU 79 -0.194 -9.126 9.376 748 1HB LEU 79 1HB LEU 79 -2.061 -9.169 7.455 749 2HB LEU 79 2HB LEU 79 -2.841 -10.234 8.608 750 HG LEU 79 HG LEU 79 -1.915 -7.402 9.166 751 1HD1 LEU 79 1HD1 LEU 79 -4.676 -8.554 8.691 752 2HD1 LEU 79 2HD1 LEU 79 -4.356 -6.922 9.328 753 3HD1 LEU 79 3HD1 LEU 79 -3.809 -7.363 7.692 754 1HD2 LEU 79 1HD2 LEU 79 -2.320 -9.505 10.980 755 2HD2 LEU 79 2HD2 LEU 79 -2.170 -7.768 11.340 756 3HD2 LEU 79 3HD2 LEU 79 -3.778 -8.489 11.088 757 MD1 LEU 79 MD1 LEU 79 -4.280 -7.613 8.570 758 MD2 LEU 79 MD2 LEU 79 -2.756 -8.588 11.136 759 QB LEU 79 QB LEU 79 -2.451 -9.702 8.032 760 QD LEU 79 QD LEU 79 -3.518 -8.100 9.853 761 H VAL 80 H VAL 80 -1.336 -12.453 8.541 762 HA VAL 80 HA VAL 80 -2.075 -13.234 11.078 763 HB VAL 80 HB VAL 80 -0.799 -14.860 8.870 764 1HG1 VAL 80 1HG1 VAL 80 -2.498 -15.690 11.245 765 2HG1 VAL 80 2HG1 VAL 80 -2.090 -16.748 9.873 766 3HG1 VAL 80 3HG1 VAL 80 -0.801 -16.123 10.929 767 1HG2 VAL 80 1HG2 VAL 80 -3.125 -13.376 8.733 768 2HG2 VAL 80 2HG2 VAL 80 -2.728 -14.787 7.723 769 3HG2 VAL 80 3HG2 VAL 80 -3.714 -14.992 9.191 770 MG1 VAL 80 MG1 VAL 80 -1.797 -16.187 10.682 771 MG2 VAL 80 MG2 VAL 80 -3.189 -14.385 8.549 772 QG VAL 80 QG VAL 80 -2.493 -15.286 9.616 773 H ALA 81 H ALA 81 1.156 -12.983 9.555 774 HA ALA 81 HA ALA 81 2.531 -14.394 11.565 775 1HB ALA 81 2HB ALA 81 3.758 -12.163 9.947 776 2HB ALA 81 3HB ALA 81 4.444 -13.742 10.398 777 3HB ALA 81 1HB ALA 81 3.199 -13.643 9.130 778 MB ALA 81 MB ALA 81 3.800 -13.183 9.825 779 H CYS 82 H CYS 82 0.884 -11.377 11.569 780 HA CYS 82 HA CYS 82 2.623 -10.031 13.368 781 1HB CYS 82 1HB CYS 82 0.700 -9.153 11.713 782 2HB CYS 82 2HB CYS 82 -0.261 -9.274 13.173 783 HG CYS 82 HG CYS 82 0.572 -7.102 13.567 784 QB CYS 82 QB CYS 82 0.220 -9.214 12.443 785 H ALA 83 H ALA 83 -0.798 -11.241 13.744 786 HA ALA 83 HA ALA 83 -0.810 -11.179 16.506 787 1HB ALA 83 2HB ALA 83 -2.482 -13.306 15.652 788 2HB ALA 83 3HB ALA 83 -2.947 -11.618 15.968 789 3HB ALA 83 1HB ALA 83 -2.470 -12.117 14.328 790 MB ALA 83 MB ALA 83 -2.633 -12.347 15.316 791 H GLN 84 H GLN 84 0.847 -13.309 14.302 792 HA GLN 84 HA GLN 84 0.886 -15.603 15.855 793 1HB GLN 84 1HB GLN 84 2.655 -14.474 13.679 794 2HB GLN 84 2HB GLN 84 3.163 -15.921 14.528 795 1HG GLN 84 1HG GLN 84 0.333 -16.094 13.771 796 2HG GLN 84 2HG GLN 84 1.335 -15.770 12.370 797 2HE2 GLN 84 1HE2 GLN 84 0.100 -18.071 12.334 798 1HE2 GLN 84 2HE2 GLN 84 1.137 -19.419 12.665 799 QB GLN 84 QB GLN 84 2.909 -15.197 14.103 800 QG GLN 84 QG GLN 84 0.834 -15.932 13.070 801 QE GLN 84 QE GLN 84 0.618 -18.745 12.499 802 H ASN 85 H ASN 85 2.551 -12.517 16.146 803 HA ASN 85 HA ASN 85 4.392 -13.696 18.054 804 1HB ASN 85 1HB ASN 85 5.129 -12.062 16.153 805 2HB ASN 85 2HB ASN 85 4.351 -10.798 17.085 806 2HD2 ASN 85 1HD2 ASN 85 5.586 -9.721 18.408 807 1HD2 ASN 85 2HD2 ASN 85 7.039 -10.267 19.176 808 QB ASN 85 QB ASN 85 4.740 -11.430 16.619 809 QD ASN 85 QD ASN 85 6.312 -9.994 18.792 810 H GLY 86 H GLY 86 1.351 -12.170 17.810 811 1HA GLY 86 1HA GLY 86 -0.008 -11.781 19.671 812 2HA GLY 86 2HA GLY 86 1.404 -11.443 20.652 813 QA GLY 86 QA GLY 86 0.698 -11.612 20.161 814 H LEU 87 H LEU 87 1.597 -10.016 17.500 815 HA LEU 87 HA LEU 87 1.376 -7.405 18.655 816 1HB LEU 87 1HB LEU 87 1.955 -8.388 15.860 817 2HB LEU 87 2HB LEU 87 1.921 -6.695 16.311 818 HG LEU 87 HG LEU 87 3.780 -8.755 17.530 819 1HD1 LEU 87 1HD1 LEU 87 3.975 -8.013 14.981 820 2HD1 LEU 87 2HD1 LEU 87 4.786 -6.612 15.720 821 3HD1 LEU 87 3HD1 LEU 87 5.403 -8.255 16.017 822 1HD2 LEU 87 1HD2 LEU 87 3.661 -5.738 17.788 823 2HD2 LEU 87 2HD2 LEU 87 3.368 -6.945 19.063 824 3HD2 LEU 87 3HD2 LEU 87 4.998 -6.759 18.371 825 MD1 LEU 87 MD1 LEU 87 4.721 -7.627 15.573 826 MD2 LEU 87 MD2 LEU 87 4.009 -6.481 18.407 827 QB LEU 87 QB LEU 87 1.938 -7.542 16.085 828 QD LEU 87 QD LEU 87 4.365 -7.054 16.990 829 H GLU 88 H GLU 88 0.161 -5.755 16.940 830 HA GLU 88 HA GLU 88 -2.512 -6.184 17.470 831 1HB GLU 88 1HB GLU 88 -0.982 -4.053 16.658 832 2HB GLU 88 2HB GLU 88 -1.858 -4.393 15.179 833 1HG GLU 88 1HG GLU 88 -3.857 -3.683 16.046 834 2HG GLU 88 2HG GLU 88 -3.584 -4.474 17.585 835 HE2 GLU 88 HE2 GLU 88 -4.411 -1.787 16.897 836 QB GLU 88 QB GLU 88 -1.420 -4.223 15.918 837 QG GLU 88 QG GLU 88 -3.720 -4.079 16.815 838 H VAL 89 H VAL 89 -4.238 -5.966 15.532 839 HA VAL 89 HA VAL 89 -3.517 -8.058 13.595 840 HB VAL 89 HB VAL 89 -6.267 -7.417 14.666 841 1HG1 VAL 89 1HG1 VAL 89 -5.160 -9.306 12.687 842 2HG1 VAL 89 2HG1 VAL 89 -6.272 -10.037 13.869 843 3HG1 VAL 89 3HG1 VAL 89 -6.811 -8.666 12.870 844 1HG2 VAL 89 1HG2 VAL 89 -4.584 -8.203 16.429 845 2HG2 VAL 89 2HG2 VAL 89 -6.081 -9.151 16.260 846 3HG2 VAL 89 3HG2 VAL 89 -4.561 -9.753 15.554 847 MG1 VAL 89 MG1 VAL 89 -6.081 -9.336 13.142 848 MG2 VAL 89 MG2 VAL 89 -5.075 -9.036 16.081 849 QG VAL 89 QG VAL 89 -5.578 -9.186 14.612 850 H SER 90 H SER 90 -4.175 -4.755 14.073 851 HA SER 90 HA SER 90 -5.455 -4.479 11.499 852 1HB SER 90 1HB SER 90 -4.723 -2.375 13.584 853 2HB SER 90 2HB SER 90 -5.660 -2.077 12.133 854 HG SER 90 HG SER 90 -6.392 -3.482 14.510 855 QB SER 90 QB SER 90 -5.191 -2.226 12.859 856 H LEU 91 H LEU 91 -4.534 -3.001 9.842 857 HA LEU 91 HA LEU 91 -1.807 -3.477 9.431 858 1HB LEU 91 1HB LEU 91 -3.998 -2.013 8.097 859 2HB LEU 91 2HB LEU 91 -2.380 -1.446 7.732 860 HG LEU 91 HG LEU 91 -3.246 -4.333 7.443 861 1HD1 LEU 91 1HD1 LEU 91 -4.115 -2.180 5.888 862 2HD1 LEU 91 2HD1 LEU 91 -2.807 -2.933 4.943 863 3HD1 LEU 91 3HD1 LEU 91 -4.194 -3.911 5.479 864 1HD2 LEU 91 1HD2 LEU 91 -0.696 -3.086 7.408 865 2HD2 LEU 91 2HD2 LEU 91 -1.112 -4.779 7.051 866 3HD2 LEU 91 3HD2 LEU 91 -1.079 -3.576 5.740 867 MD1 LEU 91 MD1 LEU 91 -3.705 -3.008 5.437 868 MD2 LEU 91 MD2 LEU 91 -0.962 -3.814 6.733 869 QB LEU 91 QB LEU 91 -3.189 -1.729 7.914 870 QD LEU 91 QD LEU 91 -2.334 -3.411 6.085 871 H SER 92 H SER 92 -3.562 -1.015 11.214 872 HA SER 92 HA SER 92 -1.788 1.060 11.057 873 1HB SER 92 1HB SER 92 -3.987 1.274 12.108 874 2HB SER 92 2HB SER 92 -3.546 0.141 13.371 875 HG SER 92 HG SER 92 -2.030 1.642 14.204 876 QB SER 92 QB SER 92 -3.767 0.707 12.740 877 H SER 93 H SER 93 -1.399 -2.092 12.454 878 HA SER 93 HA SER 93 0.961 -1.120 13.867 879 1HB SER 93 1HB SER 93 -1.225 -2.511 14.948 880 2HB SER 93 2HB SER 93 -0.018 -3.761 14.726 881 HG SER 93 HG SER 93 0.852 -1.306 15.880 882 QB SER 93 QB SER 93 -0.622 -3.136 14.837 883 H LEU 94 H LEU 94 0.671 -1.887 11.010 884 HA LEU 94 HA LEU 94 2.227 -4.377 11.011 885 1HB LEU 94 1HB LEU 94 0.169 -3.238 9.203 886 2HB LEU 94 2HB LEU 94 1.508 -4.073 8.440 887 HG LEU 94 HG LEU 94 -0.394 -5.558 8.771 888 1HD1 LEU 94 1HD1 LEU 94 2.275 -6.045 9.788 889 2HD1 LEU 94 2HD1 LEU 94 1.070 -7.059 10.619 890 3HD1 LEU 94 3HD1 LEU 94 1.199 -7.103 8.844 891 1HD2 LEU 94 1HD2 LEU 94 -0.374 -4.394 11.459 892 2HD2 LEU 94 2HD2 LEU 94 -1.691 -5.168 10.547 893 3HD2 LEU 94 3HD2 LEU 94 -0.529 -6.167 11.452 894 MD1 LEU 94 MD1 LEU 94 1.514 -6.736 9.750 895 MD2 LEU 94 MD2 LEU 94 -0.865 -5.243 11.152 896 QB LEU 94 QB LEU 94 0.839 -3.655 8.822 897 QD LEU 94 QD LEU 94 0.325 -5.989 10.451 898 H SER 95 H SER 95 3.591 -4.291 8.696 899 HA SER 95 HA SER 95 5.247 -3.399 7.597 900 1HB SER 95 2HB SER 95 3.671 -1.296 7.591 901 2HB SER 95 1HB SER 95 5.348 -1.112 7.117 902 HG SER 95 HG SER 95 4.047 -0.298 9.534 903 QB SER 95 QB SER 95 4.510 -1.204 7.354 904 H LEU 96 H LEU 96 5.526 -4.562 10.239 905 HA LEU 96 HA LEU 96 7.827 -3.028 11.233 906 1HB LEU 96 2HB LEU 96 7.266 -3.461 13.381 907 2HB LEU 96 1HB LEU 96 6.483 -4.983 13.005 908 HG LEU 96 HG LEU 96 4.618 -3.526 11.940 909 1HD1 LEU 96 1HD1 LEU 96 5.104 -3.765 14.914 910 2HD1 LEU 96 2HD1 LEU 96 3.571 -3.187 14.216 911 3HD1 LEU 96 3HD1 LEU 96 4.148 -4.833 13.858 912 1HD2 LEU 96 1HD2 LEU 96 6.386 -1.474 12.662 913 2HD2 LEU 96 2HD2 LEU 96 4.713 -1.312 12.077 914 3HD2 LEU 96 3HD2 LEU 96 5.042 -1.374 13.825 915 MD1 LEU 96 MD1 LEU 96 4.275 -3.928 14.329 916 MD2 LEU 96 MD2 LEU 96 5.380 -1.387 12.855 917 QB LEU 96 QB LEU 96 6.875 -4.222 13.193 918 QD LEU 96 QD LEU 96 4.827 -2.658 13.592 919 H ALA 97 H ALA 97 8.794 -5.164 12.919 920 HA ALA 97 HA ALA 97 9.784 -6.935 10.802 921 1HB ALA 97 1HB ALA 97 10.946 -6.143 13.504 922 2HB ALA 97 3HB ALA 97 11.482 -5.561 11.910 923 3HB ALA 97 2HB ALA 97 11.703 -7.270 12.354 924 MB ALA 97 MB ALA 97 11.377 -6.325 12.589 925 H VAL 98 H VAL 98 7.361 -7.777 11.349 926 HA VAL 98 HA VAL 98 7.103 -9.297 13.715 927 HB VAL 98 HB VAL 98 5.098 -10.136 12.691 928 1HG1 VAL 98 1HG1 VAL 98 5.490 -7.574 13.348 929 2HG1 VAL 98 2HG1 VAL 98 5.097 -7.346 11.627 930 3HG1 VAL 98 3HG1 VAL 98 3.940 -8.165 12.703 931 1HG2 VAL 98 1HG2 VAL 98 6.401 -10.277 10.357 932 2HG2 VAL 98 2HG2 VAL 98 4.625 -10.210 10.458 933 3HG2 VAL 98 3HG2 VAL 98 5.553 -8.734 10.096 934 MG1 VAL 98 MG1 VAL 98 4.842 -7.695 12.559 935 MG2 VAL 98 MG2 VAL 98 5.526 -9.740 10.304 936 QG VAL 98 QG VAL 98 5.184 -8.718 11.431 937 HA PRO 99 HA PRO 99 9.137 -12.936 12.584 938 1HB PRO 99 1HB PRO 99 7.751 -14.845 13.964 939 2HB PRO 99 2HB PRO 99 8.950 -13.806 14.708 940 1HG PRO 99 2HG PRO 99 7.208 -12.945 15.951 941 2HG PRO 99 1HG PRO 99 6.003 -13.677 14.910 942 1HD PRO 99 1HD PRO 99 5.640 -11.621 13.947 943 2HD PRO 99 2HD PRO 99 6.925 -10.916 14.907 944 QB PRO 99 QB PRO 99 8.350 -14.325 14.336 945 QG PRO 99 QG PRO 99 6.606 -13.311 15.431 946 QD PRO 99 QD PRO 99 6.283 -11.269 14.427 947 HA PRO 100 HA PRO 100 7.332 -15.104 9.409 948 1HB PRO 100 1HB PRO 100 8.352 -17.635 9.548 949 2HB PRO 100 2HB PRO 100 9.242 -16.279 8.885 950 1HG PRO 100 1HG PRO 100 9.585 -17.622 11.496 951 2HG PRO 100 2HG PRO 100 10.703 -16.575 10.645 952 1HD PRO 100 1HD PRO 100 9.073 -15.876 12.899 953 2HD PRO 100 2HD PRO 100 10.103 -14.799 11.977 954 QB PRO 100 QB PRO 100 8.797 -16.957 9.217 955 QG PRO 100 QG PRO 100 10.144 -17.099 11.070 956 QD PRO 100 QD PRO 100 9.588 -15.338 12.438 957 HA PRO 101 HA PRO 101 3.761 -17.006 10.704 958 1HB PRO 101 1HB PRO 101 2.646 -17.687 8.303 959 2HB PRO 101 2HB PRO 101 2.528 -16.080 8.993 960 1HG PRO 101 1HG PRO 101 4.220 -17.018 6.758 961 2HG PRO 101 2HG PRO 101 3.770 -15.378 7.181 962 1HD PRO 101 1HD PRO 101 6.299 -16.642 7.664 963 2HD PRO 101 2HD PRO 101 5.809 -15.044 8.189 964 QB PRO 101 QB PRO 101 2.587 -16.884 8.648 965 QG PRO 101 QG PRO 101 3.995 -16.198 6.970 966 QD PRO 101 QD PRO 101 6.054 -15.843 7.927 967 H ARG 102 H ARG 102 2.326 -19.115 9.629 968 HA ARG 102 HA ARG 102 4.225 -21.193 10.298 969 1HB ARG 102 1HB ARG 102 1.688 -20.736 11.243 970 2HB ARG 102 2HB ARG 102 1.318 -21.842 9.935 971 1HG ARG 102 1HG ARG 102 3.642 -22.763 11.480 972 2HG ARG 102 2HG ARG 102 2.247 -22.528 12.514 973 1HD ARG 102 1HD ARG 102 1.260 -24.411 11.711 974 2HD ARG 102 2HD ARG 102 1.388 -23.833 10.062 975 HE ARG 102 HE ARG 102 3.979 -24.661 10.722 976 1HH1 ARG 102 1HH1 ARG 102 0.789 -26.199 10.618 977 2HH1 ARG 102 2HH1 ARG 102 1.423 -27.774 10.269 978 2HH2 ARG 102 HH2 ARG 102 3.793 -28.066 10.064 979 QB ARG 102 QB ARG 102 1.503 -21.289 10.589 980 QG ARG 102 QG ARG 102 2.945 -22.645 11.997 981 QD ARG 102 QD ARG 102 1.324 -24.122 10.887 982 QH1 ARG 102 QH1 ARG 102 1.106 -26.987 10.444 983 H PHE 103 H PHE 103 2.103 -19.953 7.729 984 HA PHE 103 HA PHE 103 1.655 -21.997 6.090 985 1HB PHE 103 2HB PHE 103 1.802 -20.304 4.303 986 2HB PHE 103 1HB PHE 103 3.023 -19.404 5.181 987 HD1 PHE 103 HD1 PHE 103 -0.476 -20.605 5.735 988 HD2 PHE 103 HD2 PHE 103 2.334 -17.459 6.193 989 HE1 PHE 103 HE1 PHE 103 -2.263 -19.155 6.735 990 HE2 PHE 103 HE2 PHE 103 0.547 -16.008 7.194 991 HZ PHE 103 HZ PHE 103 -1.730 -16.873 7.453 992 QB PHE 103 QB PHE 103 2.412 -19.854 4.742 993 QD PHE 103 QD PHE 103 0.929 -19.032 5.964 994 QE PHE 103 QE PHE 103 -0.858 -17.581 6.964 995 QR PHE 103 QR PHE 103 0.036 -18.307 6.464 996 H HIS 104 H HIS 104 2.775 -22.775 4.065 997 HA HIS 104 HA HIS 104 5.303 -23.779 4.748 998 1HB HIS 104 1HB HIS 104 3.413 -23.967 2.480 999 2HB HIS 104 2HB HIS 104 5.095 -24.225 2.062 1000 HD1 HIS 104 HD1 HIS 104 2.312 -26.177 2.800 1001 HD2 HIS 104 HD2 HIS 104 6.213 -26.134 4.342 1002 HE1 HIS 104 HE1 HIS 104 2.694 -28.474 3.843 1003 QB HIS 104 QB HIS 104 4.254 -24.096 2.271 1004 H ASP 105 H ASP 105 7.267 -23.549 3.208 1005 HA ASP 105 HA ASP 105 7.891 -20.793 3.169 1006 1HB ASP 105 1HB ASP 105 9.755 -22.104 3.685 1007 2HB ASP 105 2HB ASP 105 9.296 -23.384 2.580 1008 HD2 ASP 105 HD2 ASP 105 10.357 -23.389 0.677 1009 QB ASP 105 QB ASP 105 9.525 -22.744 3.133 No H/Q in entry = 1009 Start of MODEL 2 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.178 1.037 -1.564 3 1HB LEU 7 1HB LEU 7 3.402 -1.520 -0.535 4 2HB LEU 7 2HB LEU 7 3.944 -0.719 -1.996 5 HG LEU 7 HG LEU 7 3.943 0.531 0.765 6 1HD1 LEU 7 1HD1 LEU 7 5.594 -1.471 -0.027 7 2HD1 LEU 7 2HD1 LEU 7 6.507 -0.047 -0.583 8 3HD1 LEU 7 3HD1 LEU 7 6.041 -0.193 1.129 9 1HD2 LEU 7 1HD2 LEU 7 4.231 1.658 -1.878 10 2HD2 LEU 7 2HD2 LEU 7 4.175 2.467 -0.293 11 3HD2 LEU 7 3HD2 LEU 7 5.726 1.875 -0.936 12 MD1 LEU 7 MD1 LEU 7 6.047 -0.570 0.173 13 MD2 LEU 7 MD2 LEU 7 4.710 2.000 -1.035 14 QB LEU 7 QB LEU 7 3.673 -1.119 -1.266 15 QD LEU 7 QD LEU 7 5.379 0.715 -0.431 16 H SER 8 H SER 8 2.767 -0.448 -3.702 17 HA SER 8 HA SER 8 1.118 -2.564 -4.272 18 1HB SER 8 1HB SER 8 -0.162 0.109 -4.597 19 2HB SER 8 2HB SER 8 -0.322 -0.959 -5.978 20 HG SER 8 HG SER 8 -1.462 -1.150 -3.412 21 QB SER 8 QB SER 8 -0.242 -0.425 -5.288 22 H LEU 9 H LEU 9 0.749 -2.531 -6.945 23 HA LEU 9 HA LEU 9 3.428 -2.166 -7.927 24 1HB LEU 9 1HB LEU 9 0.923 -3.260 -9.214 25 2HB LEU 9 2HB LEU 9 2.508 -3.241 -9.961 26 HG LEU 9 HG LEU 9 1.608 -4.826 -7.551 27 1HD1 LEU 9 1HD1 LEU 9 1.884 -5.373 -10.363 28 2HD1 LEU 9 2HD1 LEU 9 2.990 -6.409 -9.430 29 3HD1 LEU 9 3HD1 LEU 9 1.249 -6.409 -9.062 30 1HD2 LEU 9 1HD2 LEU 9 4.355 -4.002 -8.345 31 2HD2 LEU 9 2HD2 LEU 9 3.675 -4.359 -6.739 32 3HD2 LEU 9 3HD2 LEU 9 4.119 -5.691 -7.833 33 MD1 LEU 9 MD1 LEU 9 2.041 -6.064 -9.618 34 MD2 LEU 9 MD2 LEU 9 4.050 -4.684 -7.639 35 QB LEU 9 QB LEU 9 1.716 -3.251 -9.588 36 QD LEU 9 QD LEU 9 3.045 -5.374 -8.629 37 H THR 10 H THR 10 0.227 -0.617 -8.184 38 HA THR 10 HA THR 10 0.564 0.893 -10.449 39 HB THR 10 HB THR 10 -0.841 1.360 -7.780 40 HG1 THR 10 HG1 THR 10 -2.310 0.194 -8.957 41 1HG2 THR 10 1HG2 THR 10 -0.390 3.592 -8.926 42 2HG2 THR 10 2HG2 THR 10 -1.197 2.947 -10.375 43 3HG2 THR 10 3HG2 THR 10 -2.115 3.158 -8.865 44 MG THR 10 MG THR 10 -1.234 3.232 -9.389 45 H GLN 11 H GLN 11 1.314 2.057 -7.090 46 HA GLN 11 HA GLN 11 2.619 4.313 -8.029 47 1HB GLN 11 1HB GLN 11 2.073 3.031 -5.475 48 2HB GLN 11 2HB GLN 11 3.717 3.639 -5.488 49 1HG GLN 11 1HG GLN 11 2.944 5.886 -6.119 50 2HG GLN 11 2HG GLN 11 1.301 5.311 -6.321 51 2HE2 GLN 11 1HE2 GLN 11 0.691 6.928 -4.814 52 1HE2 GLN 11 2HE2 GLN 11 0.844 6.680 -3.107 53 QB GLN 11 QB GLN 11 2.895 3.335 -5.481 54 QG GLN 11 QG GLN 11 2.123 5.599 -6.220 55 QE GLN 11 QE GLN 11 0.768 6.804 -3.960 56 H LEU 12 H LEU 12 3.704 0.973 -7.417 57 HA LEU 12 HA LEU 12 6.387 1.251 -7.192 58 1HB LEU 12 1HB LEU 12 4.778 -0.816 -7.336 59 2HB LEU 12 2HB LEU 12 5.264 -0.835 -9.019 60 HG LEU 12 HG LEU 12 6.591 -2.375 -7.650 61 1HD1 LEU 12 1HD1 LEU 12 7.519 -1.184 -9.686 62 2HD1 LEU 12 2HD1 LEU 12 8.376 -0.110 -8.554 63 3HD1 LEU 12 3HD1 LEU 12 8.714 -1.857 -8.552 64 1HD2 LEU 12 1HD2 LEU 12 6.434 -0.765 -5.603 65 2HD2 LEU 12 2HD2 LEU 12 7.872 -1.793 -5.821 66 3HD2 LEU 12 3HD2 LEU 12 7.932 -0.071 -6.270 67 MD1 LEU 12 MD1 LEU 12 8.203 -1.050 -8.931 68 MD2 LEU 12 MD2 LEU 12 7.413 -0.877 -5.898 69 QB LEU 12 QB LEU 12 5.021 -0.826 -8.178 70 QD LEU 12 QD LEU 12 7.808 -0.963 -7.414 71 H SER 13 H SER 13 4.382 1.535 -10.164 72 HA SER 13 HA SER 13 6.325 3.196 -11.324 73 1HB SER 13 1HB SER 13 6.383 0.306 -11.989 74 2HB SER 13 2HB SER 13 6.287 1.348 -13.395 75 HG SER 13 HG SER 13 8.111 2.559 -12.005 76 QB SER 13 QB SER 13 6.335 0.827 -12.692 77 H SER 14 H SER 14 3.943 4.077 -10.918 78 HA SER 14 HA SER 14 1.940 4.589 -11.644 79 1HB SER 14 1HB SER 14 3.901 5.227 -13.626 80 2HB SER 14 2HB SER 14 2.471 4.707 -14.495 81 HG SER 14 HG SER 14 1.568 6.582 -14.033 82 QB SER 14 QB SER 14 3.186 4.967 -14.061 83 H GLY 15 H GLY 15 2.526 1.653 -11.566 84 1HA GLY 15 1HA GLY 15 1.376 -0.230 -12.027 85 2HA GLY 15 2HA GLY 15 0.179 0.732 -12.872 86 QA GLY 15 QA GLY 15 0.777 0.251 -12.449 87 H ASN 16 H ASN 16 3.726 0.098 -13.399 88 HA ASN 16 HA ASN 16 3.166 -0.177 -16.199 89 1HB ASN 16 1HB ASN 16 5.236 1.003 -15.058 90 2HB ASN 16 2HB ASN 16 5.870 -0.619 -14.862 91 2HD2 ASN 16 1HD2 ASN 16 6.876 1.584 -16.450 92 1HD2 ASN 16 2HD2 ASN 16 6.965 1.054 -18.096 93 QB ASN 16 QB ASN 16 5.553 0.192 -14.960 94 QD ASN 16 QD ASN 16 6.921 1.319 -17.273 95 HA PRO 17 HA PRO 17 3.043 -4.567 -15.522 96 1HB PRO 17 1HB PRO 17 2.127 -5.274 -17.998 97 2HB PRO 17 2HB PRO 17 1.068 -4.812 -16.680 98 1HG PRO 17 1HG PRO 17 1.838 -3.255 -19.072 99 2HG PRO 17 2HG PRO 17 0.487 -3.001 -17.986 100 1HD PRO 17 1HD PRO 17 2.933 -1.506 -18.058 101 2HD PRO 17 2HD PRO 17 1.631 -1.330 -16.899 102 QB PRO 17 QB PRO 17 1.597 -5.043 -17.339 103 QG PRO 17 QG PRO 17 1.162 -3.128 -18.529 104 QD PRO 17 QD PRO 17 2.282 -1.418 -17.479 105 H VAL 18 H VAL 18 5.073 -2.761 -17.400 106 HA VAL 18 HA VAL 18 6.343 -4.617 -18.972 107 HB VAL 18 HB VAL 18 6.703 -2.184 -18.976 108 1HG1 VAL 18 1HG1 VAL 18 6.824 -2.049 -16.418 109 2HG1 VAL 18 2HG1 VAL 18 8.526 -2.542 -16.590 110 3HG1 VAL 18 3HG1 VAL 18 7.956 -1.033 -17.342 111 1HG2 VAL 18 1HG2 VAL 18 8.393 -4.006 -19.820 112 2HG2 VAL 18 2HG2 VAL 18 8.876 -2.294 -19.769 113 3HG2 VAL 18 3HG2 VAL 18 9.405 -3.407 -18.484 114 MG1 VAL 18 MG1 VAL 18 7.769 -1.875 -16.783 115 MG2 VAL 18 MG2 VAL 18 8.891 -3.235 -19.358 116 QG VAL 18 QG VAL 18 8.330 -2.555 -18.070 117 H TYR 19 H TYR 19 6.627 -3.992 -15.449 118 HA TYR 19 HA TYR 19 8.874 -5.637 -15.046 119 1HB TYR 19 1HB TYR 19 6.553 -4.426 -13.488 120 2HB TYR 19 2HB TYR 19 7.522 -5.634 -12.667 121 HD1 TYR 19 HD1 TYR 19 10.204 -5.194 -13.005 122 HD2 TYR 19 HD2 TYR 19 7.131 -2.220 -13.100 123 HE1 TYR 19 HE1 TYR 19 11.906 -3.407 -12.394 124 HE2 TYR 19 HE2 TYR 19 8.843 -0.442 -12.489 125 HH TYR 19 HH TYR 19 11.796 -0.564 -12.919 126 QB TYR 19 QB TYR 19 7.037 -5.030 -13.078 127 QD TYR 19 QD TYR 19 8.667 -3.707 -13.053 128 QE TYR 19 QE TYR 19 10.374 -1.924 -12.441 129 QR TYR 19 QR TYR 19 9.521 -2.815 -12.747 130 H GLU 20 H GLU 20 5.351 -6.255 -15.209 131 HA GLU 20 HA GLU 20 5.321 -8.705 -13.989 132 1HB GLU 20 1HB GLU 20 3.547 -7.091 -15.560 133 2HB GLU 20 2HB GLU 20 3.496 -8.708 -16.234 134 1HG GLU 20 1HG GLU 20 3.457 -8.656 -13.264 135 2HG GLU 20 2HG GLU 20 2.079 -7.859 -13.997 136 HE2 GLU 20 HE2 GLU 20 0.925 -9.852 -13.115 137 QB GLU 20 QB GLU 20 3.521 -7.900 -15.897 138 QG GLU 20 QG GLU 20 2.768 -8.257 -13.630 139 H LYS 21 H LYS 21 6.190 -7.781 -17.350 140 HA LYS 21 HA LYS 21 6.197 -10.231 -18.553 141 1HB LYS 21 2HB LYS 21 6.792 -7.777 -19.366 142 2HB LYS 21 1HB LYS 21 7.317 -9.200 -20.244 143 1HG LYS 21 1HG LYS 21 9.010 -7.817 -18.111 144 2HG LYS 21 2HG LYS 21 9.524 -9.125 -19.158 145 1HD LYS 21 1HD LYS 21 8.436 -6.678 -20.517 146 2HD LYS 21 2HD LYS 21 9.988 -6.502 -19.723 147 1HE LYS 21 1HE LYS 21 10.611 -8.742 -20.985 148 2HE LYS 21 2HE LYS 21 9.238 -8.359 -22.004 149 QB LYS 21 QB LYS 21 7.054 -8.488 -19.805 150 QD LYS 21 QD LYS 21 9.212 -6.590 -20.120 151 QG LYS 21 QG LYS 21 9.267 -8.471 -18.634 152 QE LYS 21 QE LYS 21 9.925 -8.550 -21.494 153 QZ LYS 21 QZ LYS 21 11.146 -7.050 -22.604 154 H TYR 22 H TYR 22 8.701 -8.761 -16.412 155 HA TYR 22 HA TYR 22 10.454 -10.996 -16.695 156 1HB TYR 22 1HB TYR 22 10.213 -8.810 -14.538 157 2HB TYR 22 2HB TYR 22 11.667 -9.713 -14.912 158 HD1 TYR 22 HD1 TYR 22 11.297 -9.548 -18.002 159 HD2 TYR 22 HD2 TYR 22 11.158 -6.626 -14.880 160 HE1 TYR 22 HE1 TYR 22 11.990 -7.742 -19.652 161 HE2 TYR 22 HE2 TYR 22 11.851 -4.830 -16.540 162 HH TYR 22 HH TYR 22 12.952 -4.619 -18.606 163 QB TYR 22 QB TYR 22 10.940 -9.262 -14.725 164 QD TYR 22 QD TYR 22 11.228 -8.087 -16.441 165 QE TYR 22 QE TYR 22 11.921 -6.286 -18.096 166 QR TYR 22 QR TYR 22 11.574 -7.186 -17.268 167 H TYR 23 H TYR 23 8.156 -9.808 -14.158 168 HA TYR 23 HA TYR 23 8.697 -11.646 -12.204 169 1HB TYR 23 1HB TYR 23 7.131 -9.698 -12.055 170 2HB TYR 23 2HB TYR 23 6.093 -10.401 -13.279 171 HD1 TYR 23 HD1 TYR 23 7.568 -11.479 -9.989 172 HD2 TYR 23 HD2 TYR 23 4.107 -11.291 -12.498 173 HE1 TYR 23 HE1 TYR 23 6.185 -12.607 -8.178 174 HE2 TYR 23 HE2 TYR 23 2.736 -12.419 -10.678 175 HH TYR 23 HH TYR 23 4.120 -13.043 -7.504 176 QB TYR 23 QB TYR 23 6.612 -10.049 -12.667 177 QD TYR 23 QD TYR 23 5.837 -11.385 -11.244 178 QE TYR 23 QE TYR 23 4.460 -12.513 -9.429 179 QR TYR 23 QR TYR 23 5.149 -11.949 -10.336 180 H ARG 24 H ARG 24 7.013 -12.096 -15.298 181 HA ARG 24 HA ARG 24 5.992 -14.630 -14.425 182 1HB ARG 24 1HB ARG 24 4.738 -13.020 -15.985 183 2HB ARG 24 2HB ARG 24 5.913 -13.405 -17.226 184 1HG ARG 24 1HG ARG 24 4.607 -15.737 -15.858 185 2HG ARG 24 2HG ARG 24 3.584 -14.780 -16.910 186 1HD ARG 24 1HD ARG 24 6.275 -15.478 -18.025 187 2HD ARG 24 2HD ARG 24 5.182 -16.829 -17.794 188 HE ARG 24 HE ARG 24 3.605 -14.895 -19.035 189 1HH1 ARG 24 1HH1 ARG 24 6.660 -16.503 -19.835 190 2HH1 ARG 24 2HH1 ARG 24 6.421 -16.377 -21.546 191 2HH2 ARG 24 HH2 ARG 24 4.433 -15.330 -22.380 192 QB ARG 24 QB ARG 24 5.325 -13.213 -16.606 193 QG ARG 24 QG ARG 24 4.095 -15.259 -16.384 194 QD ARG 24 QD ARG 24 5.728 -16.154 -17.909 195 QH1 ARG 24 QH1 ARG 24 6.541 -16.440 -20.690 196 H GLN 25 H GLN 25 8.755 -13.250 -16.098 197 HA GLN 25 HA GLN 25 9.433 -15.415 -17.689 198 1HB GLN 25 1HB GLN 25 10.808 -12.989 -16.612 199 2HB GLN 25 2HB GLN 25 11.862 -14.289 -17.132 200 1HG GLN 25 1HG GLN 25 9.942 -14.143 -19.184 201 2HG GLN 25 2HG GLN 25 10.206 -12.465 -18.752 202 2HE2 GLN 25 1HE2 GLN 25 12.595 -11.922 -18.338 203 1HE2 GLN 25 2HE2 GLN 25 13.730 -12.470 -19.526 204 QB GLN 25 QB GLN 25 11.335 -13.639 -16.872 205 QG GLN 25 QG GLN 25 10.074 -13.304 -18.968 206 QE GLN 25 QE GLN 25 13.163 -12.196 -18.932 207 H VAL 26 H VAL 26 9.882 -14.730 -14.225 208 HA VAL 26 HA VAL 26 11.719 -16.939 -13.912 209 HB VAL 26 HB VAL 26 12.123 -16.107 -11.834 210 1HG1 VAL 26 1HG1 VAL 26 12.403 -14.318 -13.635 211 2HG1 VAL 26 2HG1 VAL 26 10.909 -13.590 -12.997 212 3HG1 VAL 26 3HG1 VAL 26 12.338 -13.752 -11.948 213 1HG2 VAL 26 1HG2 VAL 26 9.260 -15.102 -11.762 214 2HG2 VAL 26 2HG2 VAL 26 9.960 -16.457 -10.844 215 3HG2 VAL 26 3HG2 VAL 26 10.463 -14.787 -10.489 216 MG1 VAL 26 MG1 VAL 26 11.883 -13.886 -12.860 217 MG2 VAL 26 MG2 VAL 26 9.895 -15.449 -11.032 218 QG VAL 26 QG VAL 26 10.889 -14.668 -11.946 219 H GLU 27 H GLU 27 8.285 -16.089 -13.258 220 HA GLU 27 HA GLU 27 7.477 -18.034 -11.668 221 1HB GLU 27 1HB GLU 27 5.983 -16.344 -12.675 222 2HB GLU 27 2HB GLU 27 6.089 -17.139 -14.233 223 1HG GLU 27 1HG GLU 27 5.331 -19.146 -12.321 224 2HG GLU 27 2HG GLU 27 4.327 -17.743 -12.012 225 HE2 GLU 27 HE2 GLU 27 3.810 -17.726 -15.645 226 QB GLU 27 QB GLU 27 6.036 -16.742 -13.454 227 QG GLU 27 QG GLU 27 4.829 -18.445 -12.167 228 H ALA 28 H ALA 28 6.974 -20.260 -11.726 229 HA ALA 28 HA ALA 28 7.967 -21.639 -14.125 230 1HB ALA 28 3HB ALA 28 9.381 -22.258 -12.357 231 2HB ALA 28 2HB ALA 28 8.174 -23.566 -12.372 232 3HB ALA 28 1HB ALA 28 8.056 -22.261 -11.168 233 MB ALA 28 MB ALA 28 8.537 -22.695 -11.966 234 H GLY 29 H GLY 29 6.741 -23.419 -14.949 235 1HA GLY 29 1HA GLY 29 4.897 -24.667 -15.326 236 2HA GLY 29 2HA GLY 29 4.295 -24.240 -13.736 237 QA GLY 29 QA GLY 29 4.596 -24.453 -14.531 238 H ASN 30 H ASN 30 2.204 -24.227 -15.124 239 HA ASN 30 HA ASN 30 1.925 -21.551 -16.249 240 1HB ASN 30 1HB ASN 30 0.911 -24.241 -17.155 241 2HB ASN 30 2HB ASN 30 -0.176 -22.884 -17.372 242 2HD2 ASN 30 1HD2 ASN 30 -0.025 -21.827 -19.188 243 1HD2 ASN 30 2HD2 ASN 30 1.356 -21.706 -20.226 244 QB ASN 30 QB ASN 30 0.367 -23.563 -17.264 245 QD ASN 30 QD ASN 30 0.665 -21.767 -19.707 246 H THR 31 H THR 31 1.626 -21.730 -13.535 247 HA THR 31 HA THR 31 -1.254 -22.124 -13.069 248 HB THR 31 HB THR 31 -0.551 -22.423 -10.692 249 HG1 THR 31 HG1 THR 31 1.587 -21.916 -10.206 250 1HG2 THR 31 1HG2 THR 31 -0.046 -24.268 -12.707 251 2HG2 THR 31 2HG2 THR 31 1.570 -24.065 -11.988 252 3HG2 THR 31 3HG2 THR 31 0.203 -24.585 -10.973 253 MG THR 31 MG THR 31 0.576 -24.306 -11.889 254 H GLY 32 H GLY 32 1.465 -19.834 -12.932 255 1HA GLY 32 1HA GLY 32 1.057 -17.533 -13.242 256 2HA GLY 32 2HA GLY 32 -0.508 -17.699 -12.473 257 QA GLY 32 QA GLY 32 0.274 -17.616 -12.858 258 H ARG 33 H ARG 33 2.302 -19.369 -11.096 259 HA ARG 33 HA ARG 33 2.461 -17.271 -9.091 260 1HB ARG 33 1HB ARG 33 1.928 -20.212 -8.739 261 2HB ARG 33 2HB ARG 33 2.993 -19.466 -7.564 262 1HG ARG 33 1HG ARG 33 0.867 -17.627 -7.822 263 2HG ARG 33 2HG ARG 33 0.081 -19.192 -7.875 264 1HD ARG 33 1HD ARG 33 1.774 -19.663 -5.800 265 2HD ARG 33 2HD ARG 33 1.639 -17.923 -5.637 266 HE ARG 33 HE ARG 33 -0.485 -19.894 -5.170 267 1HH1 ARG 33 1HH1 ARG 33 0.215 -16.486 -5.842 268 2HH1 ARG 33 2HH1 ARG 33 -1.292 -15.922 -5.200 269 2HH2 ARG 33 HH2 ARG 33 -2.856 -17.506 -4.312 270 QB ARG 33 QB ARG 33 2.461 -19.839 -8.152 271 QG ARG 33 QG ARG 33 0.474 -18.409 -7.848 272 QD ARG 33 QD ARG 33 1.706 -18.793 -5.718 273 QH1 ARG 33 QH1 ARG 33 -0.539 -16.204 -5.521 274 H VAL 34 H VAL 34 4.585 -16.897 -8.247 275 HA VAL 34 HA VAL 34 6.687 -18.123 -9.838 276 HB VAL 34 HB VAL 34 6.603 -15.757 -7.960 277 1HG1 VAL 34 1HG1 VAL 34 8.895 -17.149 -9.293 278 2HG1 VAL 34 2HG1 VAL 34 8.925 -15.372 -9.186 279 3HG1 VAL 34 3HG1 VAL 34 8.808 -16.351 -7.705 280 1HG2 VAL 34 1HG2 VAL 34 5.894 -16.066 -10.698 281 2HG2 VAL 34 2HG2 VAL 34 5.976 -14.569 -9.738 282 3HG2 VAL 34 3HG2 VAL 34 7.406 -15.128 -10.641 283 MG1 VAL 34 MG1 VAL 34 8.876 -16.291 -8.728 284 MG2 VAL 34 MG2 VAL 34 6.426 -15.254 -10.359 285 QG VAL 34 QG VAL 34 7.651 -15.773 -9.544 286 H LEU 35 H LEU 35 7.694 -19.911 -9.096 287 HA LEU 35 HA LEU 35 7.286 -20.891 -6.513 288 1HB LEU 35 1HB LEU 35 8.620 -21.668 -8.942 289 2HB LEU 35 2HB LEU 35 9.648 -22.014 -7.565 290 HG LEU 35 HG LEU 35 6.764 -22.917 -7.745 291 1HD1 LEU 35 1HD1 LEU 35 8.065 -23.860 -9.612 292 2HD1 LEU 35 2HD1 LEU 35 9.247 -24.507 -8.448 293 3HD1 LEU 35 3HD1 LEU 35 7.568 -25.100 -8.436 294 1HD2 LEU 35 1HD2 LEU 35 8.761 -22.982 -5.665 295 2HD2 LEU 35 2HD2 LEU 35 7.052 -23.475 -5.617 296 3HD2 LEU 35 3HD2 LEU 35 8.298 -24.636 -6.132 297 MD1 LEU 35 MD1 LEU 35 8.293 -24.489 -8.832 298 MD2 LEU 35 MD2 LEU 35 8.037 -23.698 -5.805 299 QB LEU 35 QB LEU 35 9.134 -21.841 -8.254 300 QD LEU 35 QD LEU 35 8.165 -24.093 -7.318 301 H ALA 36 H ALA 36 9.193 -18.282 -7.625 302 HA ALA 36 HA ALA 36 10.417 -16.870 -6.379 303 1HB ALA 36 3HB ALA 36 10.588 -17.094 -4.099 304 2HB ALA 36 1HB ALA 36 9.299 -18.289 -4.381 305 3HB ALA 36 2HB ALA 36 10.985 -18.827 -4.189 306 MB ALA 36 MB ALA 36 10.291 -18.070 -4.223 307 H LEU 37 H LEU 37 11.459 -20.339 -6.176 308 HA LEU 37 HA LEU 37 14.139 -20.024 -6.064 309 1HB LEU 37 1HB LEU 37 12.367 -22.035 -7.397 310 2HB LEU 37 2HB LEU 37 14.104 -22.141 -7.607 311 HG LEU 37 HG LEU 37 13.224 -23.586 -5.797 312 1HD1 LEU 37 1HD1 LEU 37 15.541 -22.135 -5.845 313 2HD1 LEU 37 2HD1 LEU 37 14.890 -21.730 -4.239 314 3HD1 LEU 37 3HD1 LEU 37 15.162 -23.431 -4.685 315 1HD2 LEU 37 1HD2 LEU 37 11.413 -22.032 -5.070 316 2HD2 LEU 37 2HD2 LEU 37 12.390 -22.688 -3.735 317 3HD2 LEU 37 3HD2 LEU 37 12.653 -21.019 -4.294 318 MD1 LEU 37 MD1 LEU 37 15.197 -22.432 -4.923 319 MD2 LEU 37 MD2 LEU 37 12.152 -21.913 -4.367 320 QB LEU 37 QB LEU 37 13.236 -22.088 -7.502 321 QD LEU 37 QD LEU 37 13.675 -22.173 -4.645 322 H ASP 38 H ASP 38 12.033 -19.759 -8.983 323 HA ASP 38 HA ASP 38 14.187 -19.383 -10.724 324 1HB ASP 38 1HB ASP 38 11.222 -19.174 -10.796 325 2HB ASP 38 2HB ASP 38 12.028 -18.099 -11.921 326 HD2 ASP 38 HD2 ASP 38 11.203 -21.368 -11.382 327 QB ASP 38 QB ASP 38 11.625 -18.636 -11.358 328 H ALA 39 H ALA 39 12.088 -17.268 -8.722 329 HA ALA 39 HA ALA 39 12.670 -14.819 -9.884 330 1HB ALA 39 3HB ALA 39 11.837 -13.889 -7.815 331 2HB ALA 39 1HB ALA 39 10.901 -15.363 -8.166 332 3HB ALA 39 2HB ALA 39 12.188 -15.397 -6.937 333 MB ALA 39 MB ALA 39 11.642 -14.883 -7.639 334 H ALA 40 H ALA 40 14.494 -16.867 -7.583 335 HA ALA 40 HA ALA 40 16.405 -14.830 -6.998 336 1HB ALA 40 2HB ALA 40 16.990 -17.747 -6.631 337 2HB ALA 40 3HB ALA 40 17.264 -16.379 -5.524 338 3HB ALA 40 1HB ALA 40 15.628 -17.052 -5.720 339 MB ALA 40 MB ALA 40 16.627 -17.059 -5.958 340 H ALA 41 H ALA 41 15.877 -17.209 -9.539 341 HA ALA 41 HA ALA 41 18.599 -17.314 -10.381 342 1HB ALA 41 3HB ALA 41 17.436 -19.194 -11.046 343 2HB ALA 41 2HB ALA 41 17.260 -18.206 -12.516 344 3HB ALA 41 1HB ALA 41 15.929 -18.292 -11.338 345 MB ALA 41 MB ALA 41 16.875 -18.564 -11.633 346 H PHE 42 H PHE 42 15.610 -15.561 -11.432 347 HA PHE 42 HA PHE 42 16.789 -14.274 -13.601 348 1HB PHE 42 1HB PHE 42 14.383 -14.296 -13.369 349 2HB PHE 42 2HB PHE 42 14.458 -13.818 -11.685 350 HD1 PHE 42 HD1 PHE 42 15.210 -12.510 -15.093 351 HD2 PHE 42 HD2 PHE 42 14.050 -11.608 -11.112 352 HE1 PHE 42 HE1 PHE 42 14.804 -10.122 -15.752 353 HE2 PHE 42 HE2 PHE 42 13.643 -9.221 -11.771 354 HZ PHE 42 HZ PHE 42 14.025 -8.506 -14.083 355 QB PHE 42 QB PHE 42 14.421 -14.057 -12.527 356 QD PHE 42 QD PHE 42 14.630 -12.059 -13.103 357 QE PHE 42 QE PHE 42 14.223 -9.671 -13.762 358 QR PHE 42 QR PHE 42 14.427 -10.865 -13.432 359 H LEU 43 H LEU 43 16.408 -13.289 -10.138 360 HA LEU 43 HA LEU 43 17.334 -10.713 -10.358 361 1HB LEU 43 1HB LEU 43 17.562 -12.736 -8.133 362 2HB LEU 43 2HB LEU 43 18.055 -11.063 -7.957 363 HG LEU 43 HG LEU 43 15.264 -11.748 -8.862 364 1HD1 LEU 43 1HD1 LEU 43 16.133 -12.866 -6.597 365 2HD1 LEU 43 2HD1 LEU 43 15.732 -11.251 -5.965 366 3HD1 LEU 43 3HD1 LEU 43 14.484 -12.222 -6.783 367 1HD2 LEU 43 1HD2 LEU 43 16.725 -9.342 -8.251 368 2HD2 LEU 43 2HD2 LEU 43 15.087 -9.538 -8.920 369 3HD2 LEU 43 3HD2 LEU 43 15.331 -9.507 -7.157 370 MD1 LEU 43 MD1 LEU 43 15.450 -12.113 -6.448 371 MD2 LEU 43 MD2 LEU 43 15.714 -9.462 -8.109 372 QB LEU 43 QB LEU 43 17.809 -11.900 -8.045 373 QD LEU 43 QD LEU 43 15.582 -10.788 -7.279 374 H LYS 44 H LYS 44 19.204 -13.778 -9.893 375 HA LYS 44 HA LYS 44 21.696 -12.731 -9.601 376 1HB LYS 44 1HB LYS 44 20.632 -15.257 -10.821 377 2HB LYS 44 2HB LYS 44 22.343 -14.904 -10.955 378 1HG LYS 44 1HG LYS 44 21.714 -14.310 -8.261 379 2HG LYS 44 2HG LYS 44 20.804 -15.767 -8.607 380 1HD LYS 44 1HD LYS 44 23.372 -16.158 -9.791 381 2HD LYS 44 2HD LYS 44 23.677 -15.452 -8.216 382 1HE LYS 44 1HE LYS 44 21.694 -17.733 -8.482 383 2HE LYS 44 2HE LYS 44 23.412 -18.076 -8.446 384 QB LYS 44 QB LYS 44 21.488 -15.081 -10.888 385 QD LYS 44 QD LYS 44 23.524 -15.805 -9.004 386 QG LYS 44 QG LYS 44 21.259 -15.039 -8.434 387 QE LYS 44 QE LYS 44 22.553 -17.905 -8.464 388 QZ LYS 44 QZ LYS 44 23.110 -17.078 -6.299 389 H LYS 45 H LYS 45 19.596 -12.630 -12.414 390 HA LYS 45 HA LYS 45 21.754 -12.049 -14.226 391 1HB LYS 45 2HB LYS 45 20.076 -11.957 -15.907 392 2HB LYS 45 1HB LYS 45 18.793 -11.716 -14.739 393 1HG LYS 45 1HG LYS 45 20.208 -14.137 -14.029 394 2HG LYS 45 2HG LYS 45 18.529 -13.954 -14.498 395 1HD LYS 45 1HD LYS 45 20.406 -13.731 -16.783 396 2HD LYS 45 2HD LYS 45 20.491 -15.283 -15.973 397 1HE LYS 45 1HE LYS 45 17.757 -14.928 -16.104 398 2HE LYS 45 2HE LYS 45 18.261 -14.094 -17.560 399 QB LYS 45 QB LYS 45 19.435 -11.837 -15.323 400 QD LYS 45 QD LYS 45 20.449 -14.507 -16.378 401 QG LYS 45 QG LYS 45 19.369 -14.045 -14.264 402 QE LYS 45 QE LYS 45 18.009 -14.511 -16.832 403 QZ LYS 45 QZ LYS 45 19.265 -16.413 -17.694 404 H SER 46 H SER 46 21.307 -10.392 -11.723 405 HA SER 46 HA SER 46 20.546 -7.881 -12.946 406 1HB SER 46 2HB SER 46 19.558 -8.496 -10.743 407 2HB SER 46 1HB SER 46 20.468 -7.000 -10.665 408 HG SER 46 HG SER 46 21.136 -9.583 -9.614 409 QB SER 46 QB SER 46 20.013 -7.748 -10.704 410 H GLY 47 H GLY 47 23.051 -8.791 -10.469 411 1HA GLY 47 1HA GLY 47 25.357 -8.470 -11.833 412 2HA GLY 47 2HA GLY 47 24.870 -6.814 -11.533 413 QA GLY 47 QA GLY 47 25.113 -7.642 -11.683 414 H LEU 48 H LEU 48 23.411 -7.655 -8.971 415 HA LEU 48 HA LEU 48 25.592 -7.213 -7.234 416 1HB LEU 48 1HB LEU 48 22.661 -7.734 -6.934 417 2HB LEU 48 2HB LEU 48 23.698 -7.832 -5.524 418 HG LEU 48 HG LEU 48 23.702 -5.394 -7.302 419 1HD1 LEU 48 1HD1 LEU 48 21.364 -6.013 -6.474 420 2HD1 LEU 48 2HD1 LEU 48 21.972 -5.642 -4.843 421 3HD1 LEU 48 3HD1 LEU 48 21.963 -4.380 -6.098 422 1HD2 LEU 48 1HD2 LEU 48 25.389 -6.079 -5.310 423 2HD2 LEU 48 2HD2 LEU 48 24.966 -4.400 -5.721 424 3HD2 LEU 48 3HD2 LEU 48 24.138 -5.223 -4.378 425 MD1 LEU 48 MD1 LEU 48 21.766 -5.345 -5.805 426 MD2 LEU 48 MD2 LEU 48 24.831 -5.234 -5.136 427 QB LEU 48 QB LEU 48 23.180 -7.783 -6.229 428 QD LEU 48 QD LEU 48 23.299 -5.289 -5.471 429 HA PRO 49 HA PRO 49 26.761 -11.248 -6.250 430 1HB PRO 49 1HB PRO 49 27.437 -11.097 -3.606 431 2HB PRO 49 2HB PRO 49 28.480 -10.532 -4.896 432 1HG PRO 49 1HG PRO 49 26.842 -8.951 -3.010 433 2HG PRO 49 2HG PRO 49 28.189 -8.427 -4.001 434 1HD PRO 49 1HD PRO 49 25.405 -7.947 -4.496 435 2HD PRO 49 2HD PRO 49 26.744 -7.524 -5.544 436 QB PRO 49 QB PRO 49 27.959 -10.815 -4.251 437 QG PRO 49 QG PRO 49 27.515 -8.689 -3.505 438 QD PRO 49 QD PRO 49 26.074 -7.735 -5.020 439 H ASP 50 H ASP 50 26.616 -12.893 -4.061 440 HA ASP 50 HA ASP 50 23.778 -13.410 -4.182 441 1HB ASP 50 1HB ASP 50 26.153 -15.046 -3.183 442 2HB ASP 50 2HB ASP 50 24.495 -15.601 -3.054 443 HD2 ASP 50 HD2 ASP 50 25.787 -13.915 -5.745 444 QB ASP 50 QB ASP 50 25.324 -15.324 -3.119 445 H LEU 51 H LEU 51 26.502 -12.717 -1.937 446 HA LEU 51 HA LEU 51 25.172 -13.216 0.461 447 1HB LEU 51 1HB LEU 51 27.078 -12.552 1.405 448 2HB LEU 51 2HB LEU 51 27.691 -12.646 -0.234 449 HG LEU 51 HG LEU 51 26.548 -10.053 0.761 450 1HD1 LEU 51 1HD1 LEU 51 29.141 -11.302 1.603 451 2HD1 LEU 51 2HD1 LEU 51 29.046 -9.541 1.360 452 3HD1 LEU 51 3HD1 LEU 51 27.978 -10.335 2.542 453 1HD2 LEU 51 1HD2 LEU 51 27.676 -10.895 -1.639 454 2HD2 LEU 51 2HD2 LEU 51 27.386 -9.216 -1.122 455 3HD2 LEU 51 3HD2 LEU 51 28.973 -9.972 -0.843 456 MD1 LEU 51 MD1 LEU 51 28.721 -10.393 1.835 457 MD2 LEU 51 MD2 LEU 51 28.011 -10.028 -1.201 458 QB LEU 51 QB LEU 51 27.384 -12.599 0.585 459 QD LEU 51 QD LEU 51 28.366 -10.210 0.317 460 H ILE 52 H ILE 52 25.639 -10.118 -1.378 461 HA ILE 52 HA ILE 52 24.058 -8.607 0.374 462 HB ILE 52 HB ILE 52 25.067 -8.255 -2.427 463 1HG1 ILE 52 1HG1 ILE 52 26.301 -7.951 -0.036 464 2HG1 ILE 52 2HG1 ILE 52 26.735 -7.074 -1.489 465 1HG2 ILE 52 1HG2 ILE 52 23.052 -6.552 -0.980 466 2HG2 ILE 52 2HG2 ILE 52 24.200 -5.836 -2.136 467 3HG2 ILE 52 3HG2 ILE 52 23.067 -7.099 -2.674 468 1HD1 ILE 52 1HD1 ILE 52 24.578 -5.992 0.349 469 2HD1 ILE 52 2HD1 ILE 52 26.300 -5.718 0.708 470 3HD1 ILE 52 3HD1 ILE 52 25.600 -5.110 -0.812 471 MG ILE 52 MG ILE 52 23.439 -6.496 -1.930 472 MD ILE 52 MD ILE 52 25.493 -5.607 0.082 473 QG ILE 52 QG ILE 52 26.518 -7.513 -0.763 474 H LEU 53 H LEU 53 23.327 -10.670 -2.444 475 HA LEU 53 HA LEU 53 20.713 -9.737 -2.848 476 1HB LEU 53 1HB LEU 53 22.382 -12.018 -3.694 477 2HB LEU 53 2HB LEU 53 20.655 -12.314 -3.709 478 HG LEU 53 HG LEU 53 22.127 -10.126 -5.200 479 1HD1 LEU 53 1HD1 LEU 53 20.915 -12.756 -6.001 480 2HD1 LEU 53 2HD1 LEU 53 21.020 -11.415 -7.167 481 3HD1 LEU 53 3HD1 LEU 53 22.500 -12.060 -6.416 482 1HD2 LEU 53 1HD2 LEU 53 19.192 -10.589 -4.753 483 2HD2 LEU 53 2HD2 LEU 53 20.127 -9.075 -4.699 484 3HD2 LEU 53 3HD2 LEU 53 19.772 -9.846 -6.263 485 MD1 LEU 53 MD1 LEU 53 21.478 -12.077 -6.528 486 MD2 LEU 53 MD2 LEU 53 19.697 -9.837 -5.238 487 QB LEU 53 QB LEU 53 21.518 -12.166 -3.702 488 QD LEU 53 QD LEU 53 20.588 -10.957 -5.883 489 H GLY 54 H GLY 54 22.025 -12.541 -0.956 490 1HA GLY 54 1HA GLY 54 19.794 -13.717 -0.028 491 2HA GLY 54 2HA GLY 54 21.224 -13.463 0.952 492 QA GLY 54 QA GLY 54 20.509 -13.590 0.462 493 H LYS 55 H LYS 55 21.246 -10.649 1.260 494 HA LYS 55 HA LYS 55 19.470 -10.332 3.369 495 1HB LYS 55 1HB LYS 55 21.088 -8.351 1.751 496 2HB LYS 55 2HB LYS 55 20.144 -7.886 3.152 497 1HG LYS 55 1HG LYS 55 21.446 -9.951 4.284 498 2HG LYS 55 2HG LYS 55 22.606 -9.625 3.012 499 1HD LYS 55 1HD LYS 55 22.440 -7.122 3.783 500 2HD LYS 55 2HD LYS 55 21.685 -7.762 5.230 501 1HE LYS 55 1HE LYS 55 23.667 -9.180 5.681 502 2HE LYS 55 2HE LYS 55 24.414 -8.658 4.185 503 QB LYS 55 QB LYS 55 20.616 -8.118 2.452 504 QD LYS 55 QD LYS 55 22.062 -7.442 4.506 505 QG LYS 55 QG LYS 55 22.026 -9.788 3.648 506 QE LYS 55 QE LYS 55 24.041 -8.919 4.933 507 QZ LYS 55 QZ LYS 55 24.387 -6.603 5.483 508 H ILE 56 H ILE 56 19.279 -9.291 -0.081 509 HA ILE 56 HA ILE 56 16.968 -7.785 0.140 510 HB ILE 56 HB ILE 56 18.055 -9.429 -2.146 511 1HG1 ILE 56 1HG1 ILE 56 18.365 -6.512 -1.385 512 2HG1 ILE 56 2HG1 ILE 56 19.615 -7.740 -1.386 513 1HG2 ILE 56 1HG2 ILE 56 15.603 -8.922 -2.341 514 2HG2 ILE 56 2HG2 ILE 56 16.024 -7.192 -2.313 515 3HG2 ILE 56 3HG2 ILE 56 16.622 -8.233 -3.628 516 1HD1 ILE 56 1HD1 ILE 56 18.580 -7.922 -3.976 517 2HD1 ILE 56 2HD1 ILE 56 18.531 -6.176 -3.633 518 3HD1 ILE 56 3HD1 ILE 56 20.068 -7.064 -3.509 519 MG ILE 56 MG ILE 56 16.083 -8.116 -2.761 520 MD ILE 56 MD ILE 56 19.060 -7.054 -3.706 521 QG ILE 56 QG ILE 56 18.990 -7.126 -1.385 522 H TRP 57 H TRP 57 17.345 -11.300 -0.698 523 HA TRP 57 HA TRP 57 14.653 -11.867 -0.909 524 1HB TRP 57 1HB TRP 57 16.615 -13.307 -1.546 525 2HB TRP 57 2HB TRP 57 16.787 -13.726 0.147 526 HD1 TRP 57 HD1 TRP 57 14.687 -15.202 1.234 527 HE1 TRP 57 HE1 TRP 57 12.977 -16.920 0.191 528 HE3 TRP 57 HE3 TRP 57 15.364 -13.749 -3.591 529 HZ2 TRP 57 HZ2 TRP 57 12.118 -17.466 -2.475 530 HZ3 TRP 57 HZ3 TRP 57 14.051 -14.926 -5.353 531 HH2 TRP 57 HH2 TRP 57 12.473 -16.726 -4.859 532 QB TRP 57 QB TRP 57 16.701 -13.516 -0.699 533 H ASP 58 H ASP 58 16.869 -12.219 1.960 534 HA ASP 58 HA ASP 58 15.169 -13.121 3.780 535 1HB ASP 58 1HB ASP 58 17.634 -12.328 4.011 536 2HB ASP 58 2HB ASP 58 16.980 -10.742 4.367 537 HD2 ASP 58 HD2 ASP 58 16.050 -13.788 6.720 538 QB ASP 58 QB ASP 58 17.307 -11.535 4.189 539 H LEU 59 H LEU 59 15.627 -9.648 2.797 540 HA LEU 59 HA LEU 59 13.587 -8.693 4.524 541 1HB LEU 59 1HB LEU 59 15.385 -7.259 3.942 542 2HB LEU 59 2HB LEU 59 15.126 -7.500 2.226 543 HG LEU 59 HG LEU 59 14.381 -5.280 3.285 544 1HD1 LEU 59 1HD1 LEU 59 13.603 -6.601 1.038 545 2HD1 LEU 59 2HD1 LEU 59 12.035 -6.327 1.835 546 3HD1 LEU 59 3HD1 LEU 59 13.100 -4.949 1.470 547 1HD2 LEU 59 1HD2 LEU 59 13.073 -6.802 5.082 548 2HD2 LEU 59 2HD2 LEU 59 12.595 -5.140 4.660 549 3HD2 LEU 59 3HD2 LEU 59 11.763 -6.523 3.910 550 MD1 LEU 59 MD1 LEU 59 12.913 -5.959 1.448 551 MD2 LEU 59 MD2 LEU 59 12.477 -6.155 4.551 552 QB LEU 59 QB LEU 59 15.256 -7.380 3.084 553 QD LEU 59 QD LEU 59 12.695 -6.057 2.999 554 H ALA 60 H ALA 60 13.739 -9.981 1.219 555 HA ALA 60 HA ALA 60 11.244 -8.969 0.378 556 1HB ALA 60 2HB ALA 60 12.605 -11.507 -0.581 557 2HB ALA 60 1HB ALA 60 13.189 -9.885 -1.020 558 3HB ALA 60 3HB ALA 60 11.555 -10.402 -1.500 559 MB ALA 60 MB ALA 60 12.450 -10.598 -1.034 560 H ASP 61 H ASP 61 12.154 -12.398 1.188 561 HA ASP 61 HA ASP 61 9.784 -13.510 1.277 562 1HB ASP 61 1HB ASP 61 11.964 -14.590 1.914 563 2HB ASP 61 2HB ASP 61 11.883 -13.804 3.479 564 HD2 ASP 61 HD2 ASP 61 10.128 -14.444 4.804 565 QB ASP 61 QB ASP 61 11.923 -14.197 2.696 566 H THR 62 H THR 62 7.848 -13.239 2.427 567 HA THR 62 HA THR 62 7.838 -12.339 5.135 568 HB THR 62 HB THR 62 7.176 -10.445 2.847 569 HG1 THR 62 HG1 THR 62 8.990 -9.654 3.833 570 1HG2 THR 62 1HG2 THR 62 6.175 -10.329 5.741 571 2HG2 THR 62 2HG2 THR 62 6.143 -8.957 4.607 572 3HG2 THR 62 3HG2 THR 62 5.156 -10.403 4.283 573 MG THR 62 MG THR 62 5.825 -9.896 4.877 574 H ASP 63 H ASP 63 6.024 -12.867 2.070 575 HA ASP 63 HA ASP 63 3.543 -13.126 3.057 576 1HB ASP 63 1HB ASP 63 4.338 -13.387 0.646 577 2HB ASP 63 2HB ASP 63 4.811 -15.029 1.033 578 HD2 ASP 63 HD2 ASP 63 2.749 -16.593 0.684 579 QB ASP 63 QB ASP 63 4.575 -14.208 0.839 580 H GLY 64 H GLY 64 6.177 -15.624 2.897 581 1HA GLY 64 1HA GLY 64 6.186 -16.931 5.089 582 2HA GLY 64 2HA GLY 64 4.564 -17.398 4.616 583 QA GLY 64 QA GLY 64 5.375 -17.165 4.852 584 H LYS 65 H LYS 65 4.569 -18.001 2.003 585 HA LYS 65 HA LYS 65 6.299 -20.302 1.914 586 1HB LYS 65 1HB LYS 65 3.793 -20.173 1.285 587 2HB LYS 65 2HB LYS 65 4.338 -19.452 -0.216 588 1HG LYS 65 1HG LYS 65 5.873 -21.447 -0.554 589 2HG LYS 65 2HG LYS 65 5.177 -22.178 0.879 590 1HD LYS 65 1HD LYS 65 2.916 -22.118 -0.173 591 2HD LYS 65 2HD LYS 65 3.588 -21.349 -1.597 592 1HE LYS 65 1HE LYS 65 5.240 -23.543 -1.400 593 2HE LYS 65 2HE LYS 65 3.766 -24.200 -0.717 594 QB LYS 65 QB LYS 65 4.065 -19.812 0.535 595 QD LYS 65 QD LYS 65 3.252 -21.733 -0.885 596 QG LYS 65 QG LYS 65 5.525 -21.812 0.162 597 QE LYS 65 QE LYS 65 4.503 -23.871 -1.059 598 QZ LYS 65 QZ LYS 65 3.783 -23.317 -3.245 599 H GLY 66 H GLY 66 8.011 -20.659 0.502 600 1HA GLY 66 1HA GLY 66 9.716 -18.717 -0.194 601 2HA GLY 66 2HA GLY 66 9.538 -20.199 -1.113 602 QA GLY 66 QA GLY 66 9.627 -19.458 -0.654 603 H VAL 67 H VAL 67 6.871 -19.806 -2.146 604 HA VAL 67 HA VAL 67 7.327 -18.553 -4.491 605 HB VAL 67 HB VAL 67 4.709 -18.632 -2.978 606 1HG1 VAL 67 1HG1 VAL 67 5.179 -17.342 -5.324 607 2HG1 VAL 67 2HG1 VAL 67 4.776 -18.969 -5.922 608 3HG1 VAL 67 3HG1 VAL 67 3.623 -18.089 -4.890 609 1HG2 VAL 67 1HG2 VAL 67 6.371 -20.777 -3.753 610 2HG2 VAL 67 2HG2 VAL 67 4.680 -20.851 -3.199 611 3HG2 VAL 67 3HG2 VAL 67 5.043 -20.729 -4.938 612 MG1 VAL 67 MG1 VAL 67 4.526 -18.133 -5.378 613 MG2 VAL 67 MG2 VAL 67 5.365 -20.786 -3.963 614 QG VAL 67 QG VAL 67 4.945 -19.460 -4.671 615 H LEU 68 H LEU 68 6.990 -16.467 -5.390 616 HA LEU 68 HA LEU 68 7.098 -14.359 -3.366 617 1HB LEU 68 1HB LEU 68 7.895 -14.359 -6.281 618 2HB LEU 68 2HB LEU 68 8.019 -12.988 -5.196 619 HG LEU 68 HG LEU 68 9.589 -15.566 -5.135 620 1HD1 LEU 68 1HD1 LEU 68 10.268 -13.623 -6.615 621 2HD1 LEU 68 2HD1 LEU 68 10.595 -12.717 -5.118 622 3HD1 LEU 68 3HD1 LEU 68 11.496 -14.211 -5.469 623 1HD2 LEU 68 1HD2 LEU 68 9.083 -13.623 -2.915 624 2HD2 LEU 68 2HD2 LEU 68 9.255 -15.394 -2.872 625 3HD2 LEU 68 3HD2 LEU 68 10.693 -14.364 -3.073 626 MD1 LEU 68 MD1 LEU 68 10.786 -13.517 -5.734 627 MD2 LEU 68 MD2 LEU 68 9.677 -14.460 -2.953 628 QB LEU 68 QB LEU 68 7.957 -13.673 -5.739 629 QD LEU 68 QD LEU 68 10.232 -13.988 -4.344 630 H SER 69 H SER 69 6.072 -12.187 -4.225 631 HA SER 69 HA SER 69 3.507 -12.900 -5.415 632 1HB SER 69 1HB SER 69 3.868 -10.692 -3.358 633 2HB SER 69 2HB SER 69 2.367 -11.401 -3.918 634 HG SER 69 HG SER 69 3.094 -13.452 -2.928 635 QB SER 69 QB SER 69 3.118 -11.047 -3.638 636 H LYS 70 H LYS 70 2.774 -9.925 -5.147 637 HA LYS 70 HA LYS 70 4.010 -9.134 -7.629 638 1HB LYS 70 1HB LYS 70 1.802 -7.965 -5.920 639 2HB LYS 70 2HB LYS 70 2.414 -7.171 -7.357 640 1HG LYS 70 2HG LYS 70 1.994 -9.814 -8.212 641 2HG LYS 70 1HG LYS 70 0.965 -8.439 -8.560 642 1HD LYS 70 1HD LYS 70 0.457 -10.727 -6.805 643 2HD LYS 70 2HD LYS 70 0.265 -9.225 -5.923 644 1HE LYS 70 1HE LYS 70 -0.950 -9.026 -8.585 645 2HE LYS 70 2HE LYS 70 -1.597 -10.399 -7.710 646 QB LYS 70 QB LYS 70 2.108 -7.568 -6.638 647 QD LYS 70 QD LYS 70 0.361 -9.976 -6.364 648 QG LYS 70 QG LYS 70 1.480 -9.126 -8.386 649 QE LYS 70 QE LYS 70 -1.274 -9.713 -8.148 650 QZ LYS 70 QZ LYS 70 -1.898 -7.929 -6.732 651 H GLN 71 H GLN 71 3.249 -6.852 -4.987 652 HA GLN 71 HA GLN 71 5.275 -5.198 -5.350 653 1HB GLN 71 1HB GLN 71 3.940 -6.090 -2.775 654 2HB GLN 71 2HB GLN 71 5.157 -4.829 -2.760 655 1HG GLN 71 1HG GLN 71 3.794 -3.299 -3.824 656 2HG GLN 71 2HG GLN 71 3.049 -4.509 -4.850 657 2HE2 GLN 71 1HE2 GLN 71 2.803 -2.624 -2.042 658 1HE2 GLN 71 2HE2 GLN 71 1.325 -3.253 -1.396 659 QB GLN 71 QB GLN 71 4.549 -5.459 -2.768 660 QG GLN 71 QG GLN 71 3.422 -3.904 -4.337 661 QE GLN 71 QE GLN 71 2.064 -2.938 -1.719 662 H GLU 72 H GLU 72 5.412 -8.211 -3.348 663 HA GLU 72 HA GLU 72 7.826 -7.986 -2.242 664 1HB GLU 72 1HB GLU 72 6.409 -10.373 -3.458 665 2HB GLU 72 2HB GLU 72 7.980 -10.572 -2.707 666 1HG GLU 72 1HG GLU 72 5.804 -9.087 -1.212 667 2HG GLU 72 2HG GLU 72 5.763 -10.838 -1.265 668 HE2 GLU 72 HE2 GLU 72 8.810 -11.337 -0.464 669 QB GLU 72 QB GLU 72 7.194 -10.472 -3.083 670 QG GLU 72 QG GLU 72 5.783 -9.963 -1.239 671 H PHE 73 H PHE 73 7.435 -9.842 -5.348 672 HA PHE 73 HA PHE 73 10.123 -9.801 -5.980 673 1HB PHE 73 1HB PHE 73 8.504 -11.303 -7.053 674 2HB PHE 73 2HB PHE 73 7.500 -9.959 -7.561 675 HD1 PHE 73 HD1 PHE 73 8.207 -8.531 -9.453 676 HD2 PHE 73 HD2 PHE 73 10.398 -11.994 -8.350 677 HE1 PHE 73 HE1 PHE 73 9.367 -8.506 -11.678 678 HE2 PHE 73 HE2 PHE 73 11.558 -11.969 -10.576 679 HZ PHE 73 HZ PHE 73 11.028 -10.226 -12.214 680 QB PHE 73 QB PHE 73 8.002 -10.631 -7.307 681 QD PHE 73 QD PHE 73 9.303 -10.263 -8.901 682 QE PHE 73 QE PHE 73 10.462 -10.238 -11.127 683 QR PHE 73 QR PHE 73 9.883 -10.250 -10.014 684 H PHE 74 H PHE 74 7.486 -7.482 -6.776 685 HA PHE 74 HA PHE 74 8.996 -5.981 -8.606 686 1HB PHE 74 1HB PHE 74 6.448 -5.887 -7.049 687 2HB PHE 74 2HB PHE 74 7.105 -4.290 -7.349 688 HD1 PHE 74 HD1 PHE 74 6.086 -7.420 -9.068 689 HD2 PHE 74 HD2 PHE 74 6.808 -3.254 -9.428 690 HE1 PHE 74 HE1 PHE 74 5.107 -7.451 -11.379 691 HE2 PHE 74 HE2 PHE 74 5.828 -3.285 -11.739 692 HZ PHE 74 HZ PHE 74 4.990 -5.383 -12.687 693 QB PHE 74 QB PHE 74 6.777 -5.089 -7.199 694 QD PHE 74 QD PHE 74 6.447 -5.337 -9.248 695 QE PHE 74 QE PHE 74 5.468 -5.368 -11.559 696 QR PHE 74 QR PHE 74 5.957 -5.353 -10.403 697 H VAL 75 H VAL 75 9.337 -6.385 -5.226 698 HA VAL 75 HA VAL 75 10.337 -3.681 -4.823 699 HB VAL 75 HB VAL 75 9.295 -5.866 -3.176 700 1HG1 VAL 75 1HG1 VAL 75 11.812 -4.411 -2.347 701 2HG1 VAL 75 2HG1 VAL 75 10.654 -5.046 -1.153 702 3HG1 VAL 75 3HG1 VAL 75 11.457 -6.155 -2.291 703 1HG2 VAL 75 1HG2 VAL 75 9.277 -2.897 -3.285 704 2HG2 VAL 75 2HG2 VAL 75 7.954 -4.046 -2.971 705 3HG2 VAL 75 3HG2 VAL 75 9.098 -3.628 -1.672 706 MG1 VAL 75 MG1 VAL 75 11.308 -5.204 -1.930 707 MG2 VAL 75 MG2 VAL 75 8.776 -3.524 -2.643 708 QG VAL 75 QG VAL 75 10.042 -4.364 -2.286 709 H ALA 76 H ALA 76 11.473 -7.091 -4.247 710 HA ALA 76 HA ALA 76 14.093 -6.537 -3.760 711 1HB ALA 76 2HB ALA 76 13.264 -8.890 -5.467 712 2HB ALA 76 1HB ALA 76 12.724 -8.762 -3.776 713 3HB ALA 76 3HB ALA 76 14.463 -8.822 -4.153 714 MB ALA 76 MB ALA 76 13.484 -8.825 -4.465 715 H LEU 77 H LEU 77 12.304 -6.344 -6.807 716 HA LEU 77 HA LEU 77 14.478 -6.487 -8.555 717 1HB LEU 77 1HB LEU 77 11.684 -6.041 -8.666 718 2HB LEU 77 2HB LEU 77 12.443 -4.708 -9.514 719 HG LEU 77 HG LEU 77 12.825 -7.657 -10.100 720 1HD1 LEU 77 1HD1 LEU 77 10.798 -5.849 -10.887 721 2HD1 LEU 77 2HD1 LEU 77 11.838 -6.112 -12.307 722 3HD1 LEU 77 3HD1 LEU 77 11.096 -7.501 -11.478 723 1HD2 LEU 77 1HD2 LEU 77 14.575 -5.485 -10.646 724 2HD2 LEU 77 2HD2 LEU 77 14.692 -7.176 -11.191 725 3HD2 LEU 77 3HD2 LEU 77 13.825 -5.978 -12.183 726 MD1 LEU 77 MD1 LEU 77 11.244 -6.487 -11.557 727 MD2 LEU 77 MD2 LEU 77 14.364 -6.213 -11.340 728 QB LEU 77 QB LEU 77 12.064 -5.374 -9.090 729 QD LEU 77 QD LEU 77 12.804 -6.350 -11.448 730 H ARG 78 H ARG 78 12.670 -3.487 -7.577 731 HA ARG 78 HA ARG 78 14.662 -1.815 -8.473 732 1HB ARG 78 1HB ARG 78 12.362 -1.508 -6.514 733 2HB ARG 78 2HB ARG 78 13.485 -0.180 -6.733 734 1HG ARG 78 2HG ARG 78 11.618 0.138 -8.269 735 2HG ARG 78 1HG ARG 78 11.762 -1.499 -8.878 736 1HD ARG 78 1HD ARG 78 12.915 0.706 -10.069 737 2HD ARG 78 2HD ARG 78 14.254 0.135 -9.093 738 HE ARG 78 HE ARG 78 13.472 -2.196 -10.233 739 1HH1 ARG 78 1HH1 ARG 78 13.925 1.001 -11.692 740 2HH1 ARG 78 2HH1 ARG 78 14.345 0.369 -13.249 741 2HH2 ARG 78 HH2 ARG 78 14.399 -2.005 -13.575 742 QB ARG 78 QB ARG 78 12.923 -0.844 -6.624 743 QG ARG 78 QG ARG 78 11.690 -0.680 -8.574 744 QD ARG 78 QD ARG 78 13.585 0.420 -9.581 745 QH1 ARG 78 QH1 ARG 78 14.135 0.685 -12.471 746 H LEU 79 H LEU 79 14.308 -3.678 -5.502 747 HA LEU 79 HA LEU 79 15.859 -2.160 -3.772 748 1HB LEU 79 1HB LEU 79 14.422 -4.443 -3.613 749 2HB LEU 79 2HB LEU 79 16.043 -5.109 -3.605 750 HG LEU 79 HG LEU 79 15.092 -2.962 -1.690 751 1HD1 LEU 79 1HD1 LEU 79 14.202 -5.567 -1.720 752 2HD1 LEU 79 2HD1 LEU 79 15.569 -5.630 -0.581 753 3HD1 LEU 79 3HD1 LEU 79 14.232 -4.488 -0.305 754 1HD2 LEU 79 1HD2 LEU 79 17.622 -3.378 -2.298 755 2HD2 LEU 79 2HD2 LEU 79 17.110 -3.099 -0.616 756 3HD2 LEU 79 3HD2 LEU 79 17.433 -4.755 -1.185 757 MD1 LEU 79 MD1 LEU 79 14.667 -5.228 -0.869 758 MD2 LEU 79 MD2 LEU 79 17.388 -3.744 -1.366 759 QB LEU 79 QB LEU 79 15.233 -4.776 -3.609 760 QD LEU 79 QD LEU 79 16.028 -4.486 -1.118 761 H VAL 80 H VAL 80 16.751 -4.558 -6.301 762 HA VAL 80 HA VAL 80 19.452 -4.736 -5.640 763 HB VAL 80 HB VAL 80 17.901 -5.095 -8.202 764 1HG1 VAL 80 1HG1 VAL 80 20.710 -4.726 -7.977 765 2HG1 VAL 80 2HG1 VAL 80 20.428 -6.459 -8.272 766 3HG1 VAL 80 3HG1 VAL 80 19.775 -5.246 -9.399 767 1HG2 VAL 80 1HG2 VAL 80 17.936 -6.631 -5.950 768 2HG2 VAL 80 2HG2 VAL 80 17.627 -7.253 -7.589 769 3HG2 VAL 80 3HG2 VAL 80 19.258 -7.370 -6.885 770 MG1 VAL 80 MG1 VAL 80 20.304 -5.477 -8.549 771 MG2 VAL 80 MG2 VAL 80 18.274 -7.085 -6.808 772 QG VAL 80 QG VAL 80 19.289 -6.281 -7.679 773 H ALA 81 H ALA 81 17.594 -2.402 -7.649 774 HA ALA 81 HA ALA 81 19.809 -1.092 -8.739 775 1HB ALA 81 1HB ALA 81 16.923 -0.814 -8.614 776 2HB ALA 81 3HB ALA 81 18.060 -0.222 -9.849 777 3HB ALA 81 2HB ALA 81 17.706 0.772 -8.415 778 MB ALA 81 MB ALA 81 17.563 -0.088 -8.960 779 H CYS 82 H CYS 82 18.658 -1.309 -5.498 780 HA CYS 82 HA CYS 82 19.485 1.293 -4.690 781 1HB CYS 82 1HB CYS 82 17.814 -0.548 -3.601 782 2HB CYS 82 2HB CYS 82 19.256 -0.864 -2.658 783 HG CYS 82 HG CYS 82 19.210 1.993 -2.737 784 QB CYS 82 QB CYS 82 18.535 -0.706 -3.130 785 H ALA 83 H ALA 83 20.651 -2.034 -3.757 786 HA ALA 83 HA ALA 83 23.089 -1.193 -2.761 787 1HB ALA 83 2HB ALA 83 22.351 -3.847 -4.061 788 2HB ALA 83 1HB ALA 83 22.034 -3.402 -2.367 789 3HB ALA 83 3HB ALA 83 23.710 -3.566 -2.946 790 MB ALA 83 MB ALA 83 22.698 -3.605 -3.125 791 H GLN 84 H GLN 84 21.924 -1.371 -6.038 792 HA GLN 84 HA GLN 84 24.304 -1.895 -7.341 793 1HB GLN 84 1HB GLN 84 21.744 -0.472 -8.096 794 2HB GLN 84 2HB GLN 84 23.094 -0.465 -9.213 795 1HG GLN 84 1HG GLN 84 22.651 -3.155 -8.127 796 2HG GLN 84 2HG GLN 84 21.189 -2.531 -8.865 797 2HE2 GLN 84 1HE2 GLN 84 22.231 -4.637 -10.027 798 1HE2 GLN 84 2HE2 GLN 84 23.034 -4.272 -11.518 799 QB GLN 84 QB GLN 84 22.419 -0.468 -8.655 800 QG GLN 84 QG GLN 84 21.920 -2.843 -8.496 801 QE GLN 84 QE GLN 84 22.632 -4.454 -10.772 802 H ASN 85 H ASN 85 23.177 0.923 -5.596 803 HA ASN 85 HA ASN 85 25.211 2.550 -6.872 804 1HB ASN 85 1HB ASN 85 23.058 3.669 -6.710 805 2HB ASN 85 2HB ASN 85 22.854 3.188 -5.038 806 2HD2 ASN 85 1HD2 ASN 85 24.825 5.119 -7.241 807 1HD2 ASN 85 2HD2 ASN 85 25.326 6.328 -6.107 808 QB ASN 85 QB ASN 85 22.956 3.429 -5.874 809 QD ASN 85 QD ASN 85 25.075 5.724 -6.674 810 H GLY 86 H GLY 86 24.626 0.508 -4.178 811 1HA GLY 86 1HA GLY 86 26.359 -0.013 -2.669 812 2HA GLY 86 2HA GLY 86 26.933 1.641 -2.745 813 QA GLY 86 QA GLY 86 26.646 0.814 -2.707 814 H LEU 87 H LEU 87 23.490 1.516 -2.666 815 HA LEU 87 HA LEU 87 23.490 2.609 -0.019 816 1HB LEU 87 1HB LEU 87 21.234 1.986 -1.930 817 2HB LEU 87 2HB LEU 87 21.077 2.869 -0.424 818 HG LEU 87 HG LEU 87 22.783 3.764 -2.764 819 1HD1 LEU 87 1HD1 LEU 87 19.906 4.067 -2.203 820 2HD1 LEU 87 2HD1 LEU 87 20.757 5.580 -2.597 821 3HD1 LEU 87 3HD1 LEU 87 20.808 4.209 -3.731 822 1HD2 LEU 87 1HD2 LEU 87 21.975 5.188 -0.213 823 2HD2 LEU 87 2HD2 LEU 87 23.606 4.628 -0.655 824 3HD2 LEU 87 3HD2 LEU 87 22.830 5.932 -1.585 825 MD1 LEU 87 MD1 LEU 87 20.491 4.618 -2.844 826 MD2 LEU 87 MD2 LEU 87 22.804 5.249 -0.818 827 QB LEU 87 QB LEU 87 21.155 2.428 -1.177 828 QD LEU 87 QD LEU 87 21.647 4.934 -1.831 829 H GLU 88 H GLU 88 21.382 1.721 1.346 830 HA GLU 88 HA GLU 88 22.268 -0.697 2.343 831 1HB GLU 88 1HB GLU 88 20.558 1.283 3.191 832 2HB GLU 88 2HB GLU 88 19.414 0.002 2.839 833 1HG GLU 88 1HG GLU 88 20.014 -1.138 4.707 834 2HG GLU 88 2HG GLU 88 21.701 -1.128 4.233 835 HE2 GLU 88 HE2 GLU 88 22.994 0.681 5.729 836 QB GLU 88 QB GLU 88 19.986 0.643 3.015 837 QG GLU 88 QG GLU 88 20.858 -1.133 4.470 838 H VAL 89 H VAL 89 20.789 -2.719 2.594 839 HA VAL 89 HA VAL 89 19.705 -3.317 -0.066 840 HB VAL 89 HB VAL 89 20.602 -5.267 2.055 841 1HG1 VAL 89 1HG1 VAL 89 20.009 -5.480 -0.908 842 2HG1 VAL 89 2HG1 VAL 89 20.898 -6.730 -0.005 843 3HG1 VAL 89 3HG1 VAL 89 19.221 -6.333 0.441 844 1HG2 VAL 89 1HG2 VAL 89 22.479 -3.766 1.474 845 2HG2 VAL 89 2HG2 VAL 89 22.748 -5.431 0.906 846 3HG2 VAL 89 3HG2 VAL 89 22.254 -4.167 -0.246 847 MG1 VAL 89 MG1 VAL 89 20.043 -6.181 -0.158 848 MG2 VAL 89 MG2 VAL 89 22.493 -4.455 0.711 849 QG VAL 89 QG VAL 89 21.268 -5.318 0.277 850 H SER 90 H SER 90 18.853 -2.534 3.139 851 HA SER 90 HA SER 90 16.487 -4.188 3.073 852 1HB SER 90 1HB SER 90 17.606 -2.297 5.186 853 2HB SER 90 2HB SER 90 16.103 -3.177 5.374 854 HG SER 90 HG SER 90 18.512 -4.054 6.009 855 QB SER 90 QB SER 90 16.854 -2.737 5.280 856 H LEU 91 H LEU 91 14.315 -3.238 3.245 857 HA LEU 91 HA LEU 91 13.924 -1.084 1.534 858 1HB LEU 91 1HB LEU 91 12.270 -2.734 3.361 859 2HB LEU 91 2HB LEU 91 11.601 -1.185 2.885 860 HG LEU 91 HG LEU 91 12.646 -3.117 0.820 861 1HD1 LEU 91 1HD1 LEU 91 11.039 -4.332 2.259 862 2HD1 LEU 91 2HD1 LEU 91 9.818 -3.085 1.908 863 3HD1 LEU 91 3HD1 LEU 91 10.454 -4.104 0.594 864 1HD2 LEU 91 1HD2 LEU 91 12.215 -0.809 0.116 865 2HD2 LEU 91 2HD2 LEU 91 11.092 -1.954 -0.655 866 3HD2 LEU 91 3HD2 LEU 91 10.539 -0.942 0.700 867 MD1 LEU 91 MD1 LEU 91 10.437 -3.840 1.587 868 MD2 LEU 91 MD2 LEU 91 11.282 -1.235 0.053 869 QB LEU 91 QB LEU 91 11.936 -1.959 3.123 870 QD LEU 91 QD LEU 91 10.860 -2.538 0.820 871 H SER 92 H SER 92 14.691 -1.245 4.961 872 HA SER 92 HA SER 92 13.605 1.071 5.864 873 1HB SER 92 1HB SER 92 16.165 -0.405 6.523 874 2HB SER 92 2HB SER 92 15.811 1.112 7.326 875 HG SER 92 HG SER 92 14.059 0.233 8.349 876 QB SER 92 QB SER 92 15.988 0.354 6.924 877 H SER 93 H SER 93 16.094 0.601 3.463 878 HA SER 93 HA SER 93 16.676 3.457 3.602 879 1HB SER 93 1HB SER 93 18.517 1.431 3.899 880 2HB SER 93 2HB SER 93 18.613 1.703 2.171 881 HG SER 93 HG SER 93 18.565 4.092 3.602 882 QB SER 93 QB SER 93 18.565 1.567 3.035 883 H LEU 94 H LEU 94 14.418 2.153 2.236 884 HA LEU 94 HA LEU 94 15.235 2.500 -0.562 885 1HB LEU 94 1HB LEU 94 13.345 0.679 0.815 886 2HB LEU 94 2HB LEU 94 12.827 1.314 -0.734 887 HG LEU 94 HG LEU 94 13.910 -0.878 -0.935 888 1HD1 LEU 94 1HD1 LEU 94 14.975 1.548 -2.290 889 2HD1 LEU 94 2HD1 LEU 94 15.849 0.018 -2.542 890 3HD1 LEU 94 3HD1 LEU 94 14.122 0.134 -2.955 891 1HD2 LEU 94 1HD2 LEU 94 15.921 0.375 0.760 892 2HD2 LEU 94 2HD2 LEU 94 15.604 -1.345 0.431 893 3HD2 LEU 94 3HD2 LEU 94 16.632 -0.403 -0.675 894 MD1 LEU 94 MD1 LEU 94 14.982 0.567 -2.596 895 MD2 LEU 94 MD2 LEU 94 16.053 -0.458 0.172 896 QB LEU 94 QB LEU 94 13.086 0.996 0.041 897 QD LEU 94 QD LEU 94 15.517 0.054 -1.212 898 H SER 95 H SER 95 12.944 3.112 -1.832 899 HA SER 95 HA SER 95 11.403 4.615 -2.189 900 1HB SER 95 1HB SER 95 10.094 5.485 -0.480 901 2HB SER 95 2HB SER 95 10.855 4.154 0.367 902 HG SER 95 HG SER 95 11.042 6.854 0.857 903 QB SER 95 QB SER 95 10.474 4.820 -0.057 904 H LEU 96 H LEU 96 14.304 5.049 -2.464 905 HA LEU 96 HA LEU 96 14.376 7.969 -2.140 906 1HB LEU 96 1HB LEU 96 16.903 6.469 -2.477 907 2HB LEU 96 2HB LEU 96 16.551 7.905 -1.536 908 HG LEU 96 HG LEU 96 15.517 5.206 -0.679 909 1HD1 LEU 96 1HD1 LEU 96 18.310 6.232 -0.543 910 2HD1 LEU 96 2HD1 LEU 96 17.657 5.411 0.895 911 3HD1 LEU 96 3HD1 LEU 96 17.697 4.566 -0.671 912 1HD2 LEU 96 1HD2 LEU 96 14.629 7.319 0.343 913 2HD2 LEU 96 2HD2 LEU 96 15.375 6.183 1.493 914 3HD2 LEU 96 3HD2 LEU 96 16.266 7.632 0.969 915 MD1 LEU 96 MD1 LEU 96 17.888 5.403 -0.106 916 MD2 LEU 96 MD2 LEU 96 15.423 7.045 0.935 917 QB LEU 96 QB LEU 96 16.727 7.187 -2.006 918 QD LEU 96 QD LEU 96 16.656 6.224 0.414 919 H ALA 97 H ALA 97 16.700 8.291 -3.842 920 HA ALA 97 HA ALA 97 15.402 7.723 -6.413 921 1HB ALA 97 1HB ALA 97 17.310 9.917 -5.515 922 2HB ALA 97 3HB ALA 97 15.593 10.092 -5.950 923 3HB ALA 97 2HB ALA 97 16.789 9.673 -7.200 924 MB ALA 97 MB ALA 97 16.564 9.894 -6.222 925 H VAL 98 H VAL 98 16.402 5.468 -5.981 926 HA VAL 98 HA VAL 98 19.250 5.320 -6.213 927 HB VAL 98 HB VAL 98 18.897 2.943 -6.192 928 1HG1 VAL 98 1HG1 VAL 98 17.316 4.615 -4.260 929 2HG1 VAL 98 2HG1 VAL 98 17.257 2.841 -4.138 930 3HG1 VAL 98 3HG1 VAL 98 18.815 3.690 -4.005 931 1HG2 VAL 98 1HG2 VAL 98 16.722 3.275 -7.692 932 2HG2 VAL 98 2HG2 VAL 98 16.948 1.837 -6.668 933 3HG2 VAL 98 3HG2 VAL 98 15.917 3.176 -6.108 934 MG1 VAL 98 MG1 VAL 98 17.796 3.715 -4.135 935 MG2 VAL 98 MG2 VAL 98 16.529 2.763 -6.822 936 QG VAL 98 QG VAL 98 17.163 3.239 -5.478 937 HA PRO 99 HA PRO 99 19.517 5.178 -10.521 938 1HB PRO 99 1HB PRO 99 21.698 3.584 -10.934 939 2HB PRO 99 2HB PRO 99 21.817 5.270 -10.472 940 1HG PRO 99 1HG PRO 99 22.255 2.860 -8.818 941 2HG PRO 99 2HG PRO 99 22.770 4.507 -8.515 942 1HD PRO 99 1HD PRO 99 20.574 3.140 -7.275 943 2HD PRO 99 2HD PRO 99 21.018 4.821 -7.059 944 QB PRO 99 QB PRO 99 21.758 4.427 -10.703 945 QG PRO 99 QG PRO 99 22.513 3.683 -8.666 946 QD PRO 99 QD PRO 99 20.796 3.981 -7.167 947 HA PRO 100 HA PRO 100 17.732 1.781 -12.341 948 1HB PRO 100 1HB PRO 100 18.811 1.606 -14.846 949 2HB PRO 100 2HB PRO 100 17.560 2.757 -14.419 950 1HG PRO 100 2HG PRO 100 19.130 4.390 -14.849 951 2HG PRO 100 1HG PRO 100 20.445 3.232 -14.853 952 1HD PRO 100 1HD PRO 100 21.038 3.953 -12.752 953 2HD PRO 100 2HD PRO 100 19.654 5.027 -12.703 954 QB PRO 100 QB PRO 100 18.186 2.181 -14.633 955 QG PRO 100 QG PRO 100 19.788 3.811 -14.851 956 QD PRO 100 QD PRO 100 20.346 4.490 -12.727 957 HA PRO 101 HA PRO 101 20.033 -1.724 -11.661 958 1HB PRO 101 1HB PRO 101 18.279 -3.662 -12.458 959 2HB PRO 101 2HB PRO 101 18.209 -2.894 -10.884 960 1HG PRO 101 1HG PRO 101 16.463 -2.473 -13.232 961 2HG PRO 101 2HG PRO 101 16.168 -2.055 -11.556 962 1HD PRO 101 1HD PRO 101 16.924 -0.263 -13.665 963 2HD PRO 101 2HD PRO 101 16.743 0.133 -11.967 964 QB PRO 101 QB PRO 101 18.244 -3.278 -11.671 965 QG PRO 101 QG PRO 101 16.316 -2.264 -12.394 966 QD PRO 101 QD PRO 101 16.833 -0.065 -12.816 967 H ARG 102 H ARG 102 20.115 -4.151 -12.992 968 HA ARG 102 HA ARG 102 21.451 -3.188 -15.370 969 1HB ARG 102 1HB ARG 102 22.324 -4.912 -13.422 970 2HB ARG 102 2HB ARG 102 21.659 -6.071 -14.556 971 1HG ARG 102 1HG ARG 102 23.476 -3.873 -15.581 972 2HG ARG 102 2HG ARG 102 24.183 -5.267 -14.788 973 1HD ARG 102 1HD ARG 102 22.397 -6.493 -16.512 974 2HD ARG 102 2HD ARG 102 22.844 -5.079 -17.445 975 HE ARG 102 HE ARG 102 25.135 -6.475 -16.250 976 1HH1 ARG 102 1HH1 ARG 102 23.008 -6.267 -19.076 977 2HH1 ARG 102 2HH1 ARG 102 24.148 -7.016 -20.144 978 2HH2 ARG 102 HH2 ARG 102 26.276 -7.712 -19.289 979 QB ARG 102 QB ARG 102 21.992 -5.491 -13.989 980 QG ARG 102 QG ARG 102 23.829 -4.570 -15.184 981 QD ARG 102 QD ARG 102 22.621 -5.786 -16.979 982 QH1 ARG 102 QH1 ARG 102 23.578 -6.642 -19.610 983 H PHE 103 H PHE 103 18.785 -5.222 -14.195 984 HA PHE 103 HA PHE 103 18.242 -6.940 -16.147 985 1HB PHE 103 1HB PHE 103 16.196 -4.912 -15.085 986 2HB PHE 103 2HB PHE 103 15.885 -6.586 -15.498 987 HD1 PHE 103 HD1 PHE 103 17.486 -8.287 -14.116 988 HD2 PHE 103 HD2 PHE 103 16.290 -4.420 -12.843 989 HE1 PHE 103 HE1 PHE 103 17.884 -8.950 -11.728 990 HE2 PHE 103 HE2 PHE 103 16.688 -5.083 -10.455 991 HZ PHE 103 HZ PHE 103 17.480 -7.340 -9.926 992 QB PHE 103 QB PHE 103 16.040 -5.749 -15.292 993 QD PHE 103 QD PHE 103 16.888 -6.353 -13.480 994 QE PHE 103 QE PHE 103 17.286 -7.017 -11.092 995 QR PHE 103 QR PHE 103 17.087 -6.685 -12.286 996 H HIS 104 H HIS 104 16.676 -6.882 -18.021 997 HA HIS 104 HA HIS 104 17.531 -4.949 -19.864 998 1HB HIS 104 1HB HIS 104 15.999 -7.391 -19.848 999 2HB HIS 104 2HB HIS 104 15.161 -6.188 -20.808 1000 HD1 HIS 104 HD1 HIS 104 16.822 -8.830 -21.796 1001 HD2 HIS 104 HD2 HIS 104 17.968 -4.807 -22.109 1002 HE1 HIS 104 HE1 HIS 104 18.505 -8.714 -23.709 1003 QB HIS 104 QB HIS 104 15.580 -6.789 -20.328 1004 H ASP 105 H ASP 105 15.767 -3.709 -21.252 1005 HA ASP 105 HA ASP 105 14.681 -1.823 -19.503 1006 1HB ASP 105 1HB ASP 105 15.192 -2.079 -22.291 1007 2HB ASP 105 2HB ASP 105 13.468 -1.793 -22.169 1008 HD2 ASP 105 HD2 ASP 105 14.527 0.832 -23.087 1009 QB ASP 105 QB ASP 105 14.330 -1.936 -22.230 No H/Q in entry = 1009 Start of MODEL 3 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.403 0.354 -2.029 3 1HB LEU 7 1HB LEU 7 4.078 0.489 -0.678 4 2HB LEU 7 2HB LEU 7 3.560 1.220 -2.185 5 HG LEU 7 HG LEU 7 2.745 2.070 0.607 6 1HD1 LEU 7 1HD1 LEU 7 5.096 2.596 -0.468 7 2HD1 LEU 7 2HD1 LEU 7 4.168 3.840 -1.339 8 3HD1 LEU 7 3HD1 LEU 7 4.195 3.834 0.441 9 1HD2 LEU 7 1HD2 LEU 7 1.156 2.289 -1.610 10 2HD2 LEU 7 2HD2 LEU 7 1.108 3.369 -0.196 11 3HD2 LEU 7 3HD2 LEU 7 2.042 3.832 -1.639 12 MD1 LEU 7 MD1 LEU 7 4.486 3.423 -0.456 13 MD2 LEU 7 MD2 LEU 7 1.435 3.163 -1.148 14 QB LEU 7 QB LEU 7 3.819 0.854 -1.431 15 QD LEU 7 QD LEU 7 2.961 3.293 -0.802 16 H SER 8 H SER 8 4.114 -0.748 -2.656 17 HA SER 8 HA SER 8 3.419 -3.198 -3.480 18 1HB SER 8 1HB SER 8 6.106 -2.025 -2.711 19 2HB SER 8 2HB SER 8 6.004 -3.674 -3.296 20 HG SER 8 HG SER 8 6.217 -1.574 -4.815 21 QB SER 8 QB SER 8 6.055 -2.850 -3.003 22 H LEU 9 H LEU 9 4.624 -5.370 -2.717 23 HA LEU 9 HA LEU 9 3.479 -6.148 -0.344 24 1HB LEU 9 2HB LEU 9 4.769 -8.152 -0.556 25 2HB LEU 9 1HB LEU 9 5.944 -7.362 -1.588 26 HG LEU 9 HG LEU 9 4.456 -7.276 -3.425 27 1HD1 LEU 9 1HD1 LEU 9 4.698 -9.834 -1.965 28 2HD1 LEU 9 2HD1 LEU 9 3.466 -9.793 -3.250 29 3HD1 LEU 9 3HD1 LEU 9 5.161 -9.403 -3.629 30 1HD2 LEU 9 1HD2 LEU 9 2.369 -7.474 -1.352 31 2HD2 LEU 9 2HD2 LEU 9 2.365 -6.634 -2.922 32 3HD2 LEU 9 3HD2 LEU 9 2.037 -8.382 -2.847 33 MD1 LEU 9 MD1 LEU 9 4.442 -9.676 -2.948 34 MD2 LEU 9 MD2 LEU 9 2.257 -7.497 -2.374 35 QB LEU 9 QB LEU 9 5.357 -7.757 -1.072 36 QD LEU 9 QD LEU 9 3.349 -8.587 -2.661 37 H THR 10 H THR 10 6.710 -4.736 -1.002 38 HA THR 10 HA THR 10 7.959 -5.233 1.386 39 HB THR 10 HB THR 10 9.100 -4.189 -0.497 40 HG1 THR 10 HG1 THR 10 9.662 -3.530 1.756 41 1HG2 THR 10 1HG2 THR 10 6.832 -2.742 -0.982 42 2HG2 THR 10 2HG2 THR 10 7.761 -1.535 -0.060 43 3HG2 THR 10 3HG2 THR 10 8.437 -2.225 -1.555 44 MG THR 10 MG THR 10 7.676 -2.167 -0.866 45 H GLN 11 H GLN 11 5.808 -2.410 0.635 46 HA GLN 11 HA GLN 11 5.918 -1.592 3.344 47 1HB GLN 11 1HB GLN 11 4.885 -0.569 0.808 48 2HB GLN 11 2HB GLN 11 3.714 -0.330 2.089 49 1HG GLN 11 1HG GLN 11 6.615 0.358 2.612 50 2HG GLN 11 2HG GLN 11 5.641 1.462 1.661 51 2HE2 GLN 11 1HE2 GLN 11 6.831 1.805 4.287 52 1HE2 GLN 11 2HE2 GLN 11 5.556 2.186 5.396 53 QB GLN 11 QB GLN 11 4.300 -0.449 1.448 54 QG GLN 11 QG GLN 11 6.128 0.910 2.137 55 QE GLN 11 QE GLN 11 6.194 1.996 4.842 56 H LEU 12 H LEU 12 3.776 -3.580 1.310 57 HA LEU 12 HA LEU 12 1.468 -3.552 2.772 58 1HB LEU 12 1HB LEU 12 2.164 -4.739 0.562 59 2HB LEU 12 2HB LEU 12 2.556 -6.092 1.605 60 HG LEU 12 HG LEU 12 0.370 -6.461 0.764 61 1HD1 LEU 12 1HD1 LEU 12 0.895 -6.644 3.351 62 2HD1 LEU 12 2HD1 LEU 12 -0.376 -5.402 3.456 63 3HD1 LEU 12 3HD1 LEU 12 -0.728 -6.975 2.700 64 1HD2 LEU 12 1HD2 LEU 12 -0.020 -4.053 0.128 65 2HD2 LEU 12 2HD2 LEU 12 -1.433 -4.915 0.782 66 3HD2 LEU 12 3HD2 LEU 12 -0.535 -3.771 1.808 67 MD1 LEU 12 MD1 LEU 12 -0.070 -6.341 3.169 68 MD2 LEU 12 MD2 LEU 12 -0.662 -4.247 0.906 69 QB LEU 12 QB LEU 12 2.360 -5.415 1.084 70 QD LEU 12 QD LEU 12 -0.366 -5.294 2.037 71 H SER 13 H SER 13 4.556 -5.252 3.428 72 HA SER 13 HA SER 13 3.947 -5.364 6.153 73 1HB SER 13 1HB SER 13 3.246 -7.728 4.510 74 2HB SER 13 2HB SER 13 4.286 -8.109 5.868 75 HG SER 13 HG SER 13 2.545 -6.536 6.987 76 QB SER 13 QB SER 13 3.766 -7.918 5.189 77 H SER 14 H SER 14 6.059 -4.156 5.264 78 HA SER 14 HA SER 14 8.224 -4.082 4.973 79 1HB SER 14 1HB SER 14 7.646 -5.448 7.404 80 2HB SER 14 2HB SER 14 9.027 -6.276 6.713 81 HG SER 14 HG SER 14 8.864 -3.738 7.846 82 QB SER 14 QB SER 14 8.336 -5.862 7.059 83 H GLY 15 H GLY 15 6.723 -6.004 3.202 84 1HA GLY 15 1HA GLY 15 7.246 -7.405 1.520 85 2HA GLY 15 2HA GLY 15 8.942 -7.172 1.895 86 QA GLY 15 QA GLY 15 8.094 -7.288 1.707 87 H ASN 16 H ASN 16 6.350 -8.449 4.068 88 HA ASN 16 HA ASN 16 7.988 -10.542 4.904 89 1HB ASN 16 1HB ASN 16 5.814 -9.387 5.972 90 2HB ASN 16 2HB ASN 16 4.964 -10.667 5.129 91 2HD2 ASN 16 1HD2 ASN 16 5.319 -10.158 7.985 92 1HD2 ASN 16 2HD2 ASN 16 6.024 -11.580 8.679 93 QB ASN 16 QB ASN 16 5.389 -10.027 5.550 94 QD ASN 16 QD ASN 16 5.671 -10.869 8.332 95 HA PRO 17 HA PRO 17 6.967 -13.200 1.514 96 1HB PRO 17 1HB PRO 17 8.604 -15.286 2.173 97 2HB PRO 17 2HB PRO 17 9.150 -13.889 1.267 98 1HG PRO 17 1HG PRO 17 9.652 -14.573 4.099 99 2HG PRO 17 2HG PRO 17 10.512 -13.441 3.074 100 1HD PRO 17 1HD PRO 17 8.603 -12.799 5.116 101 2HD PRO 17 2HD PRO 17 9.375 -11.677 4.014 102 QB PRO 17 QB PRO 17 8.877 -14.588 1.720 103 QG PRO 17 QG PRO 17 10.082 -14.007 3.586 104 QD PRO 17 QD PRO 17 8.989 -12.238 4.565 105 H VAL 18 H VAL 18 6.257 -13.601 4.740 106 HA VAL 18 HA VAL 18 5.302 -16.182 4.836 107 HB VAL 18 HB VAL 18 5.566 -14.727 6.759 108 1HG1 VAL 18 1HG1 VAL 18 4.646 -12.678 5.460 109 2HG1 VAL 18 2HG1 VAL 18 3.050 -13.238 6.015 110 3HG1 VAL 18 3HG1 VAL 18 4.305 -12.810 7.202 111 1HG2 VAL 18 1HG2 VAL 18 4.014 -16.648 6.893 112 2HG2 VAL 18 2HG2 VAL 18 3.528 -15.311 7.963 113 3HG2 VAL 18 3HG2 VAL 18 2.670 -15.579 6.427 114 MG1 VAL 18 MG1 VAL 18 4.000 -12.909 6.226 115 MG2 VAL 18 MG2 VAL 18 3.404 -15.846 7.095 116 QG VAL 18 QG VAL 18 3.702 -14.377 6.660 117 H TYR 19 H TYR 19 3.738 -13.165 3.623 118 HA TYR 19 HA TYR 19 1.239 -14.360 3.125 119 1HB TYR 19 1HB TYR 19 2.873 -11.932 2.256 120 2HB TYR 19 2HB TYR 19 1.374 -12.255 1.407 121 HD1 TYR 19 HD1 TYR 19 -0.710 -12.732 3.061 122 HD2 TYR 19 HD2 TYR 19 2.787 -10.480 4.061 123 HE1 TYR 19 HE1 TYR 19 -2.000 -11.529 4.893 124 HE2 TYR 19 HE2 TYR 19 1.486 -9.285 5.890 125 HH TYR 19 HH TYR 19 -1.977 -9.764 6.245 126 QB TYR 19 QB TYR 19 2.124 -12.093 1.831 127 QD TYR 19 QD TYR 19 1.038 -11.606 3.561 128 QE TYR 19 QE TYR 19 -0.257 -10.407 5.391 129 QR TYR 19 QR TYR 19 0.391 -11.007 4.476 130 H GLU 20 H GLU 20 4.270 -14.074 1.237 131 HA GLU 20 HA GLU 20 3.192 -14.706 -1.224 132 1HB GLU 20 1HB GLU 20 5.797 -14.332 -0.062 133 2HB GLU 20 2HB GLU 20 5.846 -15.814 -0.997 134 1HG GLU 20 1HG GLU 20 4.408 -13.617 -2.374 135 2HG GLU 20 2HG GLU 20 6.084 -13.234 -2.033 136 HE2 GLU 20 HE2 GLU 20 6.751 -14.916 -4.975 137 QB GLU 20 QB GLU 20 5.821 -15.073 -0.530 138 QG GLU 20 QG GLU 20 5.246 -13.425 -2.204 139 H LYS 21 H LYS 21 4.262 -16.749 1.521 140 HA LYS 21 HA LYS 21 4.375 -19.190 0.265 141 1HB LYS 21 1HB LYS 21 3.516 -18.459 3.078 142 2HB LYS 21 2HB LYS 21 3.810 -20.102 2.544 143 1HG LYS 21 1HG LYS 21 6.033 -18.405 1.726 144 2HG LYS 21 2HG LYS 21 5.735 -18.190 3.440 145 1HD LYS 21 1HD LYS 21 6.134 -20.468 3.940 146 2HD LYS 21 2HD LYS 21 5.791 -20.995 2.304 147 1HE LYS 21 1HE LYS 21 8.186 -19.227 2.962 148 2HE LYS 21 2HE LYS 21 8.277 -20.976 3.026 149 QB LYS 21 QB LYS 21 3.663 -19.281 2.811 150 QD LYS 21 QD LYS 21 5.963 -20.732 3.122 151 QG LYS 21 QG LYS 21 5.884 -18.298 2.583 152 QE LYS 21 QE LYS 21 8.232 -20.101 2.994 153 QZ LYS 21 QZ LYS 21 7.978 -19.728 0.695 154 H TYR 22 H TYR 22 1.525 -17.401 1.572 155 HA TYR 22 HA TYR 22 -0.288 -19.497 0.918 156 1HB TYR 22 1HB TYR 22 -0.462 -16.486 1.540 157 2HB TYR 22 2HB TYR 22 -1.895 -17.478 1.357 158 HD1 TYR 22 HD1 TYR 22 -1.275 -19.931 2.794 159 HD2 TYR 22 HD2 TYR 22 -0.264 -15.892 3.778 160 HE1 TYR 22 HE1 TYR 22 -1.152 -20.554 5.256 161 HE2 TYR 22 HE2 TYR 22 -0.144 -16.528 6.236 162 HH TYR 22 HH TYR 22 0.309 -19.313 7.355 163 QB TYR 22 QB TYR 22 -1.179 -16.982 1.448 164 QD TYR 22 QD TYR 22 -0.770 -17.912 3.286 165 QE TYR 22 QE TYR 22 -0.648 -18.541 5.746 166 QR TYR 22 QR TYR 22 -0.709 -18.226 4.516 167 H TYR 23 H TYR 23 0.496 -16.262 -0.536 168 HA TYR 23 HA TYR 23 -1.323 -16.341 -2.599 169 1HB TYR 23 1HB TYR 23 -0.072 -14.326 -2.233 170 2HB TYR 23 2HB TYR 23 1.434 -15.195 -2.016 171 HD1 TYR 23 HD1 TYR 23 2.610 -16.148 -4.060 172 HD2 TYR 23 HD2 TYR 23 -0.681 -13.429 -4.349 173 HE1 TYR 23 HE1 TYR 23 3.261 -15.604 -6.457 174 HE2 TYR 23 HE2 TYR 23 -0.019 -12.894 -6.745 175 HH TYR 23 HH TYR 23 1.190 -13.973 -8.560 176 QB TYR 23 QB TYR 23 0.681 -14.760 -2.124 177 QD TYR 23 QD TYR 23 0.965 -14.788 -4.205 178 QE TYR 23 QE TYR 23 1.621 -14.249 -6.601 179 QR TYR 23 QR TYR 23 1.293 -14.519 -5.403 180 H ARG 24 H ARG 24 1.519 -18.311 -2.091 181 HA ARG 24 HA ARG 24 1.709 -18.907 -4.898 182 1HB ARG 24 1HB ARG 24 3.696 -18.675 -3.186 183 2HB ARG 24 2HB ARG 24 3.259 -20.292 -2.672 184 1HG ARG 24 1HG ARG 24 3.592 -19.793 -5.630 185 2HG ARG 24 2HG ARG 24 5.039 -19.872 -4.644 186 1HD ARG 24 1HD ARG 24 3.181 -22.050 -3.972 187 2HD ARG 24 2HD ARG 24 3.583 -22.065 -5.678 188 HE ARG 24 HE ARG 24 5.952 -21.674 -4.041 189 1HH1 ARG 24 1HH1 ARG 24 3.717 -24.157 -5.220 190 2HH1 ARG 24 2HH1 ARG 24 4.874 -25.439 -5.087 191 2HH2 ARG 24 HH2 ARG 24 7.080 -24.949 -4.289 192 QB ARG 24 QB ARG 24 3.478 -19.484 -2.929 193 QG ARG 24 QG ARG 24 4.316 -19.833 -5.137 194 QD ARG 24 QD ARG 24 3.382 -22.058 -4.825 195 QH1 ARG 24 QH1 ARG 24 4.296 -24.798 -5.154 196 H GLN 25 H GLN 25 0.287 -20.121 -1.918 197 HA GLN 25 HA GLN 25 0.176 -22.814 -2.544 198 1HB GLN 25 1HB GLN 25 -1.171 -20.958 -0.649 199 2HB GLN 25 2HB GLN 25 -2.091 -22.400 -1.028 200 1HG GLN 25 1HG GLN 25 0.539 -23.351 -0.645 201 2HG GLN 25 2HG GLN 25 0.350 -22.122 0.589 202 2HE2 GLN 25 1HE2 GLN 25 -1.936 -24.385 -0.936 203 1HE2 GLN 25 2HE2 GLN 25 -2.481 -25.160 0.514 204 QB GLN 25 QB GLN 25 -1.631 -21.679 -0.839 205 QG GLN 25 QG GLN 25 0.444 -22.736 -0.028 206 QE GLN 25 QE GLN 25 -2.209 -24.773 -0.211 207 H VAL 26 H VAL 26 -1.929 -20.040 -3.413 208 HA VAL 26 HA VAL 26 -3.941 -21.695 -4.576 209 HB VAL 26 HB VAL 26 -5.069 -19.742 -4.962 210 1HG1 VAL 26 1HG1 VAL 26 -4.237 -20.013 -2.525 211 2HG1 VAL 26 2HG1 VAL 26 -3.184 -18.625 -2.887 212 3HG1 VAL 26 3HG1 VAL 26 -4.951 -18.457 -3.009 213 1HG2 VAL 26 1HG2 VAL 26 -2.377 -18.399 -5.326 214 2HG2 VAL 26 2HG2 VAL 26 -3.647 -18.673 -6.544 215 3HG2 VAL 26 3HG2 VAL 26 -3.911 -17.500 -5.232 216 MG1 VAL 26 MG1 VAL 26 -4.124 -19.032 -2.807 217 MG2 VAL 26 MG2 VAL 26 -3.312 -18.191 -5.701 218 QG VAL 26 QG VAL 26 -3.718 -18.611 -4.254 219 H GLU 27 H GLU 27 -1.070 -19.849 -5.715 220 HA GLU 27 HA GLU 27 -1.414 -19.811 -8.341 221 1HB GLU 27 1HB GLU 27 0.618 -19.024 -7.141 222 2HB GLU 27 2HB GLU 27 1.136 -20.682 -6.909 223 1HG GLU 27 1HG GLU 27 0.540 -20.295 -9.718 224 2HG GLU 27 2HG GLU 27 1.583 -18.989 -9.189 225 HE2 GLU 27 HE2 GLU 27 2.412 -20.916 -10.869 226 QB GLU 27 QB GLU 27 0.877 -19.853 -7.025 227 QG GLU 27 QG GLU 27 1.061 -19.642 -9.454 228 H ALA 28 H ALA 28 -1.140 -21.211 -10.161 229 HA ALA 28 HA ALA 28 -0.964 -24.061 -9.467 230 1HB ALA 28 2HB ALA 28 -2.595 -23.352 -11.828 231 2HB ALA 28 1HB ALA 28 -3.263 -22.778 -10.281 232 3HB ALA 28 3HB ALA 28 -2.923 -24.510 -10.517 233 MB ALA 28 MB ALA 28 -2.927 -23.547 -10.875 234 H GLY 29 H GLY 29 0.304 -25.328 -10.842 235 1HA GLY 29 1HA GLY 29 1.525 -25.800 -12.735 236 2HA GLY 29 2HA GLY 29 1.301 -24.163 -13.316 237 QA GLY 29 QA GLY 29 1.413 -24.982 -13.025 238 H ASN 30 H ASN 30 3.771 -24.747 -13.722 239 HA ASN 30 HA ASN 30 5.224 -23.930 -11.330 240 1HB ASN 30 1HB ASN 30 5.872 -25.814 -13.600 241 2HB ASN 30 2HB ASN 30 7.204 -24.901 -12.920 242 2HD2 ASN 30 1HD2 ASN 30 8.219 -25.753 -11.279 243 1HD2 ASN 30 2HD2 ASN 30 7.613 -26.931 -10.163 244 QB ASN 30 QB ASN 30 6.538 -25.357 -13.260 245 QD ASN 30 QD ASN 30 7.916 -26.342 -10.721 246 H THR 31 H THR 31 3.978 -21.907 -12.776 247 HA THR 31 HA THR 31 6.094 -20.842 -14.528 248 HB THR 31 HB THR 31 4.200 -19.492 -15.499 249 HG1 THR 31 HG1 THR 31 2.918 -19.566 -13.494 250 1HG2 THR 31 1HG2 THR 31 4.457 -22.391 -15.658 251 2HG2 THR 31 2HG2 THR 31 2.736 -21.943 -15.727 252 3HG2 THR 31 3HG2 THR 31 3.880 -21.262 -16.907 253 MG THR 31 MG THR 31 3.691 -21.865 -16.097 254 H GLY 32 H GLY 32 4.234 -20.405 -11.566 255 1HA GLY 32 1HA GLY 32 4.898 -19.074 -9.810 256 2HA GLY 32 2HA GLY 32 5.982 -18.186 -10.863 257 QA GLY 32 QA GLY 32 5.440 -18.630 -10.336 258 H ARG 33 H ARG 33 2.556 -18.874 -11.666 259 HA ARG 33 HA ARG 33 1.964 -16.097 -11.070 260 1HB ARG 33 1HB ARG 33 1.522 -17.580 -13.691 261 2HB ARG 33 2HB ARG 33 0.507 -16.216 -13.266 262 1HG ARG 33 1HG ARG 33 3.420 -15.721 -12.900 263 2HG ARG 33 2HG ARG 33 2.951 -16.029 -14.560 264 1HD ARG 33 1HD ARG 33 1.352 -14.200 -14.548 265 2HD ARG 33 2HD ARG 33 1.469 -14.019 -12.809 266 HE ARG 33 HE ARG 33 4.082 -13.694 -13.951 267 1HH1 ARG 33 1HH1 ARG 33 0.976 -12.003 -13.733 268 2HH1 ARG 33 2HH1 ARG 33 1.679 -10.429 -13.902 269 2HH2 ARG 33 HH2 ARG 33 4.053 -10.227 -14.161 270 QB ARG 33 QB ARG 33 1.015 -16.898 -13.479 271 QG ARG 33 QG ARG 33 3.185 -15.875 -13.730 272 QD ARG 33 QD ARG 33 1.410 -14.110 -13.678 273 QH1 ARG 33 QH1 ARG 33 1.327 -11.216 -13.818 274 H VAL 34 H VAL 34 -0.181 -15.740 -10.307 275 HA VAL 34 HA VAL 34 -1.575 -18.157 -9.547 276 HB VAL 34 HB VAL 34 -2.026 -15.232 -8.925 277 1HG1 VAL 34 1HG1 VAL 34 -3.600 -17.674 -8.307 278 2HG1 VAL 34 2HG1 VAL 34 -3.323 -16.553 -6.951 279 3HG1 VAL 34 3HG1 VAL 34 -4.114 -15.975 -8.438 280 1HG2 VAL 34 1HG2 VAL 34 -0.374 -17.374 -7.709 281 2HG2 VAL 34 2HG2 VAL 34 -0.173 -15.606 -7.677 282 3HG2 VAL 34 3HG2 VAL 34 -1.328 -16.391 -6.573 283 MG1 VAL 34 MG1 VAL 34 -3.679 -16.734 -7.899 284 MG2 VAL 34 MG2 VAL 34 -0.625 -16.457 -7.320 285 QG VAL 34 QG VAL 34 -2.152 -16.595 -7.609 286 H LEU 35 H LEU 35 -3.041 -19.072 -10.881 287 HA LEU 35 HA LEU 35 -3.971 -17.794 -13.185 288 1HB LEU 35 1HB LEU 35 -4.181 -20.359 -11.890 289 2HB LEU 35 2HB LEU 35 -5.747 -19.871 -12.508 290 HG LEU 35 HG LEU 35 -3.248 -19.842 -14.211 291 1HD1 LEU 35 1HD1 LEU 35 -3.579 -22.113 -13.356 292 2HD1 LEU 35 2HD1 LEU 35 -5.262 -22.091 -13.937 293 3HD1 LEU 35 3HD1 LEU 35 -3.917 -22.014 -15.101 294 1HD2 LEU 35 1HD2 LEU 35 -6.202 -19.803 -14.887 295 2HD2 LEU 35 2HD2 LEU 35 -5.038 -18.469 -15.074 296 3HD2 LEU 35 3HD2 LEU 35 -4.880 -19.935 -16.071 297 MD1 LEU 35 MD1 LEU 35 -4.253 -22.073 -14.132 298 MD2 LEU 35 MD2 LEU 35 -5.373 -19.402 -15.344 299 QB LEU 35 QB LEU 35 -4.964 -20.115 -12.199 300 QD LEU 35 QD LEU 35 -4.813 -20.737 -14.738 301 H ALA 36 H ALA 36 -4.785 -17.324 -9.901 302 HA ALA 36 HA ALA 36 -6.222 -15.814 -9.066 303 1HB ALA 36 3HB ALA 36 -7.414 -14.398 -10.420 304 2HB ALA 36 1HB ALA 36 -6.347 -15.090 -11.665 305 3HB ALA 36 2HB ALA 36 -8.002 -15.715 -11.463 306 MB ALA 36 MB ALA 36 -7.254 -15.068 -11.183 307 H LEU 37 H LEU 37 -7.897 -18.082 -11.367 308 HA LEU 37 HA LEU 37 -10.185 -18.497 -10.006 309 1HB LEU 37 1HB LEU 37 -8.483 -20.144 -11.792 310 2HB LEU 37 2HB LEU 37 -9.727 -20.991 -10.895 311 HG LEU 37 HG LEU 37 -11.296 -19.092 -11.830 312 1HD1 LEU 37 1HD1 LEU 37 -8.825 -18.837 -13.487 313 2HD1 LEU 37 2HD1 LEU 37 -10.406 -18.700 -14.295 314 3HD1 LEU 37 3HD1 LEU 37 -9.990 -17.599 -12.959 315 1HD2 LEU 37 1HD2 LEU 37 -10.623 -21.733 -12.629 316 2HD2 LEU 37 2HD2 LEU 37 -12.155 -20.856 -12.859 317 3HD2 LEU 37 3HD2 LEU 37 -10.885 -20.772 -14.104 318 MD1 LEU 37 MD1 LEU 37 -9.740 -18.379 -13.580 319 MD2 LEU 37 MD2 LEU 37 -11.221 -21.120 -13.197 320 QB LEU 37 QB LEU 37 -9.105 -20.567 -11.343 321 QD LEU 37 QD LEU 37 -10.481 -19.750 -13.389 322 H ASP 38 H ASP 38 -6.937 -19.826 -9.256 323 HA ASP 38 HA ASP 38 -7.884 -21.558 -7.270 324 1HB ASP 38 1HB ASP 38 -5.295 -20.612 -8.328 325 2HB ASP 38 2HB ASP 38 -5.235 -20.879 -6.597 326 HD2 ASP 38 HD2 ASP 38 -6.229 -24.259 -7.005 327 QB ASP 38 QB ASP 38 -5.265 -20.746 -7.462 328 H ALA 39 H ALA 39 -6.460 -18.224 -7.338 329 HA ALA 39 HA ALA 39 -6.134 -17.740 -4.682 330 1HB ALA 39 3HB ALA 39 -5.447 -15.906 -5.817 331 2HB ALA 39 2HB ALA 39 -7.130 -15.349 -5.661 332 3HB ALA 39 1HB ALA 39 -6.603 -16.185 -7.141 333 MB ALA 39 MB ALA 39 -6.393 -15.813 -6.206 334 H ALA 40 H ALA 40 -9.173 -17.532 -6.631 335 HA ALA 40 HA ALA 40 -10.768 -16.565 -4.545 336 1HB ALA 40 1HB ALA 40 -11.096 -16.858 -7.183 337 2HB ALA 40 3HB ALA 40 -12.483 -16.786 -6.071 338 3HB ALA 40 2HB ALA 40 -11.899 -18.359 -6.665 339 MB ALA 40 MB ALA 40 -11.826 -17.335 -6.640 340 H ALA 41 H ALA 41 -9.657 -19.828 -5.482 341 HA ALA 41 HA ALA 41 -11.490 -21.279 -3.946 342 1HB ALA 41 3HB ALA 41 -10.236 -23.092 -4.605 343 2HB ALA 41 1HB ALA 41 -9.628 -21.901 -5.780 344 3HB ALA 41 2HB ALA 41 -8.687 -22.265 -4.314 345 MB ALA 41 MB ALA 41 -9.517 -22.419 -4.900 346 H PHE 42 H PHE 42 -8.116 -20.141 -3.221 347 HA PHE 42 HA PHE 42 -8.116 -21.112 -0.600 348 1HB PHE 42 1HB PHE 42 -6.166 -20.348 -2.101 349 2HB PHE 42 2HB PHE 42 -6.692 -18.693 -1.863 350 HD1 PHE 42 HD1 PHE 42 -5.993 -21.652 0.322 351 HD2 PHE 42 HD2 PHE 42 -5.434 -17.501 -0.360 352 HE1 PHE 42 HE1 PHE 42 -4.582 -21.502 2.392 353 HE2 PHE 42 HE2 PHE 42 -4.022 -17.351 1.710 354 HZ PHE 42 HZ PHE 42 -3.613 -19.353 3.061 355 QB PHE 42 QB PHE 42 -6.429 -19.521 -1.982 356 QD PHE 42 QD PHE 42 -5.713 -19.576 -0.019 357 QE PHE 42 QE PHE 42 -4.302 -19.426 2.051 358 QR PHE 42 QR PHE 42 -5.007 -19.501 1.016 359 H LEU 43 H LEU 43 -8.991 -17.905 -2.016 360 HA LEU 43 HA LEU 43 -9.287 -16.535 0.371 361 1HB LEU 43 1HB LEU 43 -10.590 -16.239 -2.329 362 2HB LEU 43 2HB LEU 43 -10.896 -15.127 -1.010 363 HG LEU 43 HG LEU 43 -8.156 -15.687 -2.178 364 1HD1 LEU 43 1HD1 LEU 43 -10.073 -13.400 -2.703 365 2HD1 LEU 43 2HD1 LEU 43 -8.365 -13.438 -3.205 366 3HD1 LEU 43 3HD1 LEU 43 -9.513 -14.628 -3.864 367 1HD2 LEU 43 1HD2 LEU 43 -9.069 -14.252 0.191 368 2HD2 LEU 43 2HD2 LEU 43 -7.430 -14.754 -0.290 369 3HD2 LEU 43 3HD2 LEU 43 -8.109 -13.227 -0.903 370 MD1 LEU 43 MD1 LEU 43 -9.317 -13.822 -3.258 371 MD2 LEU 43 MD2 LEU 43 -8.203 -14.078 -0.334 372 QB LEU 43 QB LEU 43 -10.743 -15.683 -1.670 373 QD LEU 43 QD LEU 43 -8.760 -13.950 -1.796 374 H LYS 44 H LYS 44 -11.675 -18.495 -1.516 375 HA LYS 44 HA LYS 44 -13.899 -18.039 -0.023 376 1HB LYS 44 1HB LYS 44 -12.892 -20.279 -1.698 377 2HB LYS 44 2HB LYS 44 -14.228 -20.653 -0.629 378 1HG LYS 44 1HG LYS 44 -14.961 -18.171 -1.713 379 2HG LYS 44 2HG LYS 44 -14.187 -18.978 -3.062 380 1HD LYS 44 1HD LYS 44 -15.982 -20.786 -1.573 381 2HD LYS 44 2HD LYS 44 -16.826 -19.377 -2.184 382 1HE LYS 44 1HE LYS 44 -16.783 -20.203 -4.298 383 2HE LYS 44 2HE LYS 44 -15.037 -20.344 -4.252 384 QB LYS 44 QB LYS 44 -13.560 -20.466 -1.164 385 QD LYS 44 QD LYS 44 -16.404 -20.081 -1.878 386 QG LYS 44 QG LYS 44 -14.574 -18.575 -2.387 387 QE LYS 44 QE LYS 44 -15.910 -20.274 -4.274 388 QZ LYS 44 QZ LYS 44 -15.962 -22.498 -4.065 389 H LYS 45 H LYS 45 -10.945 -19.698 0.905 390 HA LYS 45 HA LYS 45 -12.187 -21.036 3.129 391 1HB LYS 45 1HB LYS 45 -9.224 -20.697 2.651 392 2HB LYS 45 2HB LYS 45 -10.048 -21.959 3.543 393 1HG LYS 45 1HG LYS 45 -11.184 -21.988 0.923 394 2HG LYS 45 2HG LYS 45 -9.454 -21.824 0.693 395 1HD LYS 45 1HD LYS 45 -10.201 -23.810 2.775 396 2HD LYS 45 2HD LYS 45 -10.781 -24.217 1.173 397 1HE LYS 45 1HE LYS 45 -8.255 -23.505 0.498 398 2HE LYS 45 2HE LYS 45 -7.949 -23.964 2.162 399 QB LYS 45 QB LYS 45 -9.636 -21.328 3.097 400 QD LYS 45 QD LYS 45 -10.491 -24.013 1.974 401 QG LYS 45 QG LYS 45 -10.319 -21.906 0.808 402 QE LYS 45 QE LYS 45 -8.102 -23.735 1.330 403 QZ LYS 45 QZ LYS 45 -8.405 -26.009 1.214 404 H SER 46 H SER 46 -12.431 -18.045 2.807 405 HA SER 46 HA SER 46 -10.820 -17.138 5.022 406 1HB SER 46 2HB SER 46 -11.049 -15.738 2.960 407 2HB SER 46 1HB SER 46 -11.564 -14.901 4.411 408 HG SER 46 HG SER 46 -13.120 -15.883 2.232 409 QB SER 46 QB SER 46 -11.307 -15.319 3.686 410 H GLY 47 H GLY 47 -14.279 -16.525 4.071 411 1HA GLY 47 1HA GLY 47 -15.674 -17.815 5.965 412 2HA GLY 47 2HA GLY 47 -15.048 -16.448 6.865 413 QA GLY 47 QA GLY 47 -15.361 -17.131 6.415 414 H LEU 48 H LEU 48 -15.001 -14.704 4.363 415 HA LEU 48 HA LEU 48 -17.597 -13.641 4.687 416 1HB LEU 48 1HB LEU 48 -15.217 -13.035 2.973 417 2HB LEU 48 2HB LEU 48 -16.753 -12.266 2.625 418 HG LEU 48 HG LEU 48 -15.599 -12.153 5.403 419 1HD1 LEU 48 1HD1 LEU 48 -13.909 -11.431 3.594 420 2HD1 LEU 48 2HD1 LEU 48 -14.985 -10.033 3.356 421 3HD1 LEU 48 3HD1 LEU 48 -14.238 -10.320 4.946 422 1HD2 LEU 48 1HD2 LEU 48 -17.996 -11.419 4.666 423 2HD2 LEU 48 2HD2 LEU 48 -17.042 -10.391 5.763 424 3HD2 LEU 48 3HD2 LEU 48 -17.154 -9.984 4.034 425 MD1 LEU 48 MD1 LEU 48 -14.377 -10.595 3.965 426 MD2 LEU 48 MD2 LEU 48 -17.397 -10.598 4.821 427 QB LEU 48 QB LEU 48 -15.985 -12.651 2.799 428 QD LEU 48 QD LEU 48 -15.887 -10.596 4.393 429 HA PRO 49 HA PRO 49 -19.755 -15.664 1.546 430 1HB PRO 49 1HB PRO 49 -21.491 -13.757 0.643 431 2HB PRO 49 2HB PRO 49 -21.743 -14.657 2.125 432 1HG PRO 49 1HG PRO 49 -20.860 -11.856 1.785 433 2HG PRO 49 2HG PRO 49 -21.518 -12.634 3.211 434 1HD PRO 49 1HD PRO 49 -18.765 -11.996 2.720 435 2HD PRO 49 2HD PRO 49 -19.408 -12.876 4.091 436 QB PRO 49 QB PRO 49 -21.617 -14.207 1.384 437 QG PRO 49 QG PRO 49 -21.189 -12.245 2.498 438 QD PRO 49 QD PRO 49 -19.086 -12.436 3.405 439 H ASP 50 H ASP 50 -20.574 -15.600 -0.827 440 HA ASP 50 HA ASP 50 -18.217 -15.065 -2.287 441 1HB ASP 50 1HB ASP 50 -20.345 -16.778 -2.582 442 2HB ASP 50 2HB ASP 50 -20.795 -15.537 -3.735 443 HD2 ASP 50 HD2 ASP 50 -17.958 -15.101 -4.615 444 QB ASP 50 QB ASP 50 -20.570 -16.158 -3.159 445 H LEU 51 H LEU 51 -21.481 -13.611 -1.857 446 HA LEU 51 HA LEU 51 -21.414 -11.829 -3.994 447 1HB LEU 51 1HB LEU 51 -23.490 -11.787 -3.228 448 2HB LEU 51 2HB LEU 51 -23.014 -12.342 -1.635 449 HG LEU 51 HG LEU 51 -22.452 -10.041 -0.978 450 1HD1 LEU 51 1HD1 LEU 51 -22.109 -9.492 -3.595 451 2HD1 LEU 51 2HD1 LEU 51 -23.742 -8.826 -3.353 452 3HD1 LEU 51 3HD1 LEU 51 -22.388 -8.251 -2.350 453 1HD2 LEU 51 1HD2 LEU 51 -24.891 -11.142 -1.051 454 2HD2 LEU 51 2HD2 LEU 51 -24.583 -9.504 -0.426 455 3HD2 LEU 51 3HD2 LEU 51 -25.193 -9.724 -2.084 456 MD1 LEU 51 MD1 LEU 51 -22.746 -8.856 -3.100 457 MD2 LEU 51 MD2 LEU 51 -24.889 -10.123 -1.187 458 QB LEU 51 QB LEU 51 -23.252 -12.065 -2.432 459 QD LEU 51 QD LEU 51 -23.818 -9.490 -2.143 460 H ILE 52 H ILE 52 -20.738 -11.140 -0.484 461 HA ILE 52 HA ILE 52 -19.736 -8.604 -0.907 462 HB ILE 52 HB ILE 52 -19.092 -10.623 1.244 463 1HG1 ILE 52 1HG1 ILE 52 -21.532 -9.855 0.782 464 2HG1 ILE 52 2HG1 ILE 52 -20.922 -9.865 2.425 465 1HG2 ILE 52 1HG2 ILE 52 -17.398 -8.827 1.101 466 2HG2 ILE 52 2HG2 ILE 52 -18.693 -7.620 1.287 467 3HG2 ILE 52 3HG2 ILE 52 -18.350 -8.767 2.604 468 1HD1 ILE 52 1HD1 ILE 52 -20.897 -7.404 0.619 469 2HD1 ILE 52 2HD1 ILE 52 -22.156 -7.751 1.829 470 3HD1 ILE 52 3HD1 ILE 52 -20.479 -7.458 2.349 471 MG ILE 52 MG ILE 52 -18.147 -8.405 1.664 472 MD ILE 52 MD ILE 52 -21.177 -7.538 1.599 473 QG ILE 52 QG ILE 52 -21.227 -9.860 1.604 474 H LEU 53 H LEU 53 -18.183 -11.816 -1.187 475 HA LEU 53 HA LEU 53 -15.549 -10.886 -1.324 476 1HB LEU 53 1HB LEU 53 -17.021 -13.372 -1.999 477 2HB LEU 53 2HB LEU 53 -15.461 -13.149 -2.765 478 HG LEU 53 HG LEU 53 -15.913 -13.019 0.228 479 1HD1 LEU 53 1HD1 LEU 53 -16.002 -15.294 -1.420 480 2HD1 LEU 53 2HD1 LEU 53 -14.399 -15.313 -0.647 481 3HD1 LEU 53 3HD1 LEU 53 -15.869 -15.233 0.354 482 1HD2 LEU 53 1HD2 LEU 53 -13.834 -11.973 -1.173 483 2HD2 LEU 53 2HD2 LEU 53 -13.725 -12.582 0.496 484 3HD2 LEU 53 3HD2 LEU 53 -13.238 -13.622 -0.864 485 MD1 LEU 53 MD1 LEU 53 -15.423 -15.280 -0.571 486 MD2 LEU 53 MD2 LEU 53 -13.599 -12.726 -0.514 487 QB LEU 53 QB LEU 53 -16.241 -13.260 -2.382 488 QD LEU 53 QD LEU 53 -14.511 -14.003 -0.542 489 H GLY 54 H GLY 54 -17.978 -11.630 -3.913 490 1HA GLY 54 1HA GLY 54 -16.605 -11.210 -6.174 491 2HA GLY 54 2HA GLY 54 -18.240 -10.629 -5.931 492 QA GLY 54 QA GLY 54 -17.423 -10.919 -6.053 493 H LYS 55 H LYS 55 -17.833 -8.611 -3.962 494 HA LYS 55 HA LYS 55 -17.063 -6.477 -5.583 495 1HB LYS 55 1HB LYS 55 -17.669 -6.800 -2.651 496 2HB LYS 55 2HB LYS 55 -17.083 -5.270 -3.269 497 1HG LYS 55 1HG LYS 55 -19.139 -6.219 -5.063 498 2HG LYS 55 2HG LYS 55 -19.750 -6.354 -3.426 499 1HD LYS 55 1HD LYS 55 -18.369 -3.814 -4.370 500 2HD LYS 55 2HD LYS 55 -20.071 -4.084 -4.691 501 1HE LYS 55 1HE LYS 55 -20.664 -3.997 -2.413 502 2HE LYS 55 2HE LYS 55 -19.072 -4.484 -1.867 503 QB LYS 55 QB LYS 55 -17.376 -6.035 -2.960 504 QD LYS 55 QD LYS 55 -19.220 -3.949 -4.531 505 QG LYS 55 QG LYS 55 -19.445 -6.287 -4.244 506 QE LYS 55 QE LYS 55 -19.868 -4.241 -2.140 507 QZ LYS 55 QZ LYS 55 -19.334 -2.083 -1.950 508 H ILE 56 H ILE 56 -15.336 -8.260 -2.957 509 HA ILE 56 HA ILE 56 -13.089 -6.654 -2.867 510 HB ILE 56 HB ILE 56 -13.480 -9.601 -2.361 511 1HG1 ILE 56 1HG1 ILE 56 -13.510 -7.135 -0.614 512 2HG1 ILE 56 2HG1 ILE 56 -14.790 -8.306 -0.861 513 1HG2 ILE 56 1HG2 ILE 56 -11.019 -8.213 -2.668 514 2HG2 ILE 56 2HG2 ILE 56 -11.240 -8.551 -0.935 515 3HG2 ILE 56 3HG2 ILE 56 -11.297 -9.882 -2.116 516 1HD1 ILE 56 1HD1 ILE 56 -12.633 -9.877 0.019 517 2HD1 ILE 56 2HD1 ILE 56 -12.524 -8.397 1.001 518 3HD1 ILE 56 3HD1 ILE 56 -14.024 -9.355 1.000 519 MG ILE 56 MG ILE 56 -11.185 -8.882 -1.906 520 MD ILE 56 MD ILE 56 -13.060 -9.210 0.673 521 QG ILE 56 QG ILE 56 -14.150 -7.721 -0.737 522 H TRP 57 H TRP 57 -13.720 -9.612 -4.876 523 HA TRP 57 HA TRP 57 -11.300 -9.640 -6.196 524 1HB TRP 57 1HB TRP 57 -13.070 -11.404 -6.202 525 2HB TRP 57 2HB TRP 57 -13.988 -10.426 -7.331 526 HD1 TRP 57 HD1 TRP 57 -12.803 -10.079 -9.843 527 HE1 TRP 57 HE1 TRP 57 -11.207 -11.608 -11.284 528 HE3 TRP 57 HE3 TRP 57 -11.268 -13.013 -5.985 529 HZ2 TRP 57 HZ2 TRP 57 -9.519 -13.823 -10.663 530 HZ3 TRP 57 HZ3 TRP 57 -9.644 -14.837 -6.488 531 HH2 TRP 57 HH2 TRP 57 -8.774 -15.264 -8.732 532 QB TRP 57 QB TRP 57 -13.529 -10.915 -6.767 533 H ASP 58 H ASP 58 -14.449 -8.102 -7.184 534 HA ASP 58 HA ASP 58 -13.724 -7.002 -9.494 535 1HB ASP 58 1HB ASP 58 -15.887 -6.771 -7.907 536 2HB ASP 58 2HB ASP 58 -15.162 -5.222 -7.524 537 HD2 ASP 58 HD2 ASP 58 -16.261 -7.063 -10.313 538 QB ASP 58 QB ASP 58 -15.524 -5.997 -7.715 539 H LEU 59 H LEU 59 -13.060 -5.774 -6.154 540 HA LEU 59 HA LEU 59 -11.755 -3.414 -7.097 541 1HB LEU 59 1HB LEU 59 -12.886 -3.271 -5.039 542 2HB LEU 59 2HB LEU 59 -12.124 -4.719 -4.413 543 HG LEU 59 HG LEU 59 -11.341 -2.485 -3.479 544 1HD1 LEU 59 1HD1 LEU 59 -10.122 -4.834 -3.560 545 2HD1 LEU 59 2HD1 LEU 59 -8.969 -3.933 -4.574 546 3HD1 LEU 59 3HD1 LEU 59 -9.317 -3.382 -2.918 547 1HD2 LEU 59 1HD2 LEU 59 -10.361 -2.249 -6.298 548 2HD2 LEU 59 2HD2 LEU 59 -11.052 -1.016 -5.217 549 3HD2 LEU 59 3HD2 LEU 59 -9.379 -1.573 -4.976 550 MD1 LEU 59 MD1 LEU 59 -9.470 -4.050 -3.684 551 MD2 LEU 59 MD2 LEU 59 -10.264 -1.613 -5.497 552 QB LEU 59 QB LEU 59 -12.505 -3.995 -4.726 553 QD LEU 59 QD LEU 59 -9.867 -2.831 -4.590 554 H ALA 60 H ALA 60 -10.863 -6.753 -6.300 555 HA ALA 60 HA ALA 60 -8.085 -6.230 -6.043 556 1HB ALA 60 1HB ALA 60 -9.835 -8.342 -5.546 557 2HB ALA 60 2HB ALA 60 -8.848 -8.929 -6.907 558 3HB ALA 60 3HB ALA 60 -8.061 -8.394 -5.403 559 MB ALA 60 MB ALA 60 -8.915 -8.555 -5.952 560 H ASP 61 H ASP 61 -9.901 -8.051 -8.619 561 HA ASP 61 HA ASP 61 -8.029 -8.301 -10.435 562 1HB ASP 61 1HB ASP 61 -10.399 -8.970 -10.749 563 2HB ASP 61 2HB ASP 61 -10.866 -7.293 -10.951 564 HD2 ASP 61 HD2 ASP 61 -9.746 -9.437 -13.995 565 QB ASP 61 QB ASP 61 -10.632 -8.132 -10.850 566 H THR 62 H THR 62 -6.699 -6.944 -11.676 567 HA THR 62 HA THR 62 -7.598 -4.231 -12.232 568 HB THR 62 HB THR 62 -5.083 -4.959 -10.645 569 HG1 THR 62 HG1 THR 62 -6.389 -4.151 -9.037 570 1HG2 THR 62 1HG2 THR 62 -5.968 -2.392 -12.029 571 2HG2 THR 62 2HG2 THR 62 -4.977 -2.338 -10.552 572 3HG2 THR 62 3HG2 THR 62 -4.351 -3.135 -12.015 573 MG THR 62 MG THR 62 -5.099 -2.622 -11.532 574 H ASP 63 H ASP 63 -5.049 -6.760 -12.588 575 HA ASP 63 HA ASP 63 -3.700 -5.742 -14.664 576 1HB ASP 63 1HB ASP 63 -3.529 -8.047 -13.410 577 2HB ASP 63 2HB ASP 63 -4.591 -8.648 -14.668 578 HD2 ASP 63 HD2 ASP 63 -1.233 -9.410 -15.363 579 QB ASP 63 QB ASP 63 -4.060 -8.348 -14.039 580 H GLY 64 H GLY 64 -6.600 -7.954 -14.865 581 1HA GLY 64 1HA GLY 64 -8.425 -7.497 -16.297 582 2HA GLY 64 2HA GLY 64 -7.358 -6.634 -17.387 583 QA GLY 64 QA GLY 64 -7.892 -7.065 -16.842 584 H LYS 65 H LYS 65 -8.227 -9.885 -16.123 585 HA LYS 65 HA LYS 65 -8.268 -11.171 -18.492 586 1HB LYS 65 1HB LYS 65 -5.986 -12.403 -18.377 587 2HB LYS 65 2HB LYS 65 -6.078 -10.828 -19.139 588 1HG LYS 65 1HG LYS 65 -4.638 -9.938 -17.627 589 2HG LYS 65 2HG LYS 65 -5.628 -10.479 -16.286 590 1HD LYS 65 2HD LYS 65 -4.388 -12.831 -17.306 591 2HD LYS 65 1HD LYS 65 -4.053 -12.028 -15.785 592 1HE LYS 65 1HE LYS 65 -2.797 -10.626 -18.051 593 2HE LYS 65 2HE LYS 65 -2.080 -11.166 -16.546 594 QB LYS 65 QB LYS 65 -6.032 -11.615 -18.758 595 QD LYS 65 QD LYS 65 -4.220 -12.430 -16.545 596 QG LYS 65 QG LYS 65 -5.133 -10.209 -16.957 597 QE LYS 65 QE LYS 65 -2.438 -10.896 -17.299 598 QZ LYS 65 QZ LYS 65 -1.842 -12.630 -18.648 599 H GLY 66 H GLY 66 -7.021 -11.357 -15.118 600 1HA GLY 66 1HA GLY 66 -8.822 -12.776 -13.872 601 2HA GLY 66 2HA GLY 66 -8.141 -14.054 -14.859 602 QA GLY 66 QA GLY 66 -8.482 -13.415 -14.366 603 H VAL 67 H VAL 67 -5.506 -13.891 -14.891 604 HA VAL 67 HA VAL 67 -4.584 -14.816 -12.556 605 HB VAL 67 HB VAL 67 -3.007 -13.018 -14.404 606 1HG1 VAL 67 1HG1 VAL 67 -2.133 -14.091 -12.108 607 2HG1 VAL 67 2HG1 VAL 67 -1.872 -15.489 -13.178 608 3HG1 VAL 67 3HG1 VAL 67 -1.099 -13.929 -13.547 609 1HG2 VAL 67 1HG2 VAL 67 -4.357 -15.545 -14.936 610 2HG2 VAL 67 2HG2 VAL 67 -3.542 -14.428 -16.056 611 3HG2 VAL 67 3HG2 VAL 67 -2.600 -15.665 -15.191 612 MG1 VAL 67 MG1 VAL 67 -1.701 -14.503 -12.945 613 MG2 VAL 67 MG2 VAL 67 -3.500 -15.213 -15.394 614 QG VAL 67 QG VAL 67 -2.600 -14.858 -14.169 615 H LEU 68 H LEU 68 -3.473 -13.984 -10.697 616 HA LEU 68 HA LEU 68 -4.312 -11.250 -10.084 617 1HB LEU 68 1HB LEU 68 -3.540 -13.577 -8.322 618 2HB LEU 68 2HB LEU 68 -3.859 -11.960 -7.728 619 HG LEU 68 HG LEU 68 -5.801 -13.879 -9.021 620 1HD1 LEU 68 1HD1 LEU 68 -5.232 -14.060 -6.562 621 2HD1 LEU 68 2HD1 LEU 68 -6.000 -12.467 -6.356 622 3HD1 LEU 68 3HD1 LEU 68 -6.955 -13.845 -6.955 623 1HD2 LEU 68 1HD2 LEU 68 -6.060 -10.909 -8.601 624 2HD2 LEU 68 2HD2 LEU 68 -6.452 -11.886 -10.036 625 3HD2 LEU 68 3HD2 LEU 68 -7.484 -11.976 -8.588 626 MD1 LEU 68 MD1 LEU 68 -6.062 -13.457 -6.625 627 MD2 LEU 68 MD2 LEU 68 -6.665 -11.590 -9.075 628 QB LEU 68 QB LEU 68 -3.699 -12.768 -8.025 629 QD LEU 68 QD LEU 68 -6.364 -12.524 -7.850 630 H SER 69 H SER 69 -2.580 -10.428 -8.177 631 HA SER 69 HA SER 69 0.075 -10.881 -9.220 632 1HB SER 69 1HB SER 69 -0.848 -8.031 -8.771 633 2HB SER 69 2HB SER 69 0.556 -8.595 -9.655 634 HG SER 69 HG SER 69 -1.164 -7.888 -11.079 635 QB SER 69 QB SER 69 -0.146 -8.313 -9.213 636 H LYS 70 H LYS 70 1.681 -9.423 -7.730 637 HA LYS 70 HA LYS 70 1.552 -10.428 -5.197 638 1HB LYS 70 1HB LYS 70 3.117 -8.396 -4.696 639 2HB LYS 70 2HB LYS 70 3.633 -9.658 -5.797 640 1HG LYS 70 1HG LYS 70 2.087 -7.542 -7.162 641 2HG LYS 70 2HG LYS 70 3.519 -6.915 -6.370 642 1HD LYS 70 1HD LYS 70 4.955 -7.998 -7.804 643 2HD LYS 70 2HD LYS 70 3.980 -9.454 -7.848 644 1HE LYS 70 1HE LYS 70 2.757 -8.751 -9.679 645 2HE LYS 70 2HE LYS 70 2.735 -7.078 -9.160 646 QB LYS 70 QB LYS 70 3.375 -9.027 -5.247 647 QD LYS 70 QD LYS 70 4.468 -8.726 -7.826 648 QG LYS 70 QG LYS 70 2.803 -7.229 -6.766 649 QE LYS 70 QE LYS 70 2.747 -7.914 -9.419 650 QZ LYS 70 QZ LYS 70 4.981 -7.963 -10.326 651 H GLN 71 H GLN 71 1.485 -6.868 -5.349 652 HA GLN 71 HA GLN 71 0.140 -6.434 -3.125 653 1HB GLN 71 1HB GLN 71 0.786 -4.928 -5.458 654 2HB GLN 71 2HB GLN 71 -0.897 -4.580 -5.111 655 1HG GLN 71 1HG GLN 71 0.340 -4.532 -2.576 656 2HG GLN 71 2HG GLN 71 1.515 -3.772 -3.632 657 2HE2 GLN 71 1HE2 GLN 71 0.249 -2.390 -1.632 658 1HE2 GLN 71 2HE2 GLN 71 -0.816 -1.193 -2.290 659 QB GLN 71 QB GLN 71 -0.055 -4.754 -5.285 660 QG GLN 71 QG GLN 71 0.928 -4.152 -3.104 661 QE GLN 71 QE GLN 71 -0.283 -1.791 -1.961 662 H GLU 72 H GLU 72 -1.412 -6.984 -6.358 663 HA GLU 72 HA GLU 72 -3.971 -6.591 -5.791 664 1HB GLU 72 1HB GLU 72 -2.541 -8.596 -7.508 665 2HB GLU 72 2HB GLU 72 -4.264 -8.828 -7.285 666 1HG GLU 72 1HG GLU 72 -4.338 -6.193 -7.827 667 2HG GLU 72 2HG GLU 72 -2.811 -6.542 -8.613 668 HE2 GLU 72 HE2 GLU 72 -3.450 -8.274 -10.880 669 QB GLU 72 QB GLU 72 -3.402 -8.712 -7.396 670 QG GLU 72 QG GLU 72 -3.575 -6.367 -8.220 671 H PHE 73 H PHE 73 -2.634 -9.968 -5.593 672 HA PHE 73 HA PHE 73 -4.727 -10.950 -4.078 673 1HB PHE 73 1HB PHE 73 -3.171 -12.426 -5.235 674 2HB PHE 73 2HB PHE 73 -1.778 -11.645 -4.513 675 HD1 PHE 73 HD1 PHE 73 -1.550 -11.884 -1.924 676 HD2 PHE 73 HD2 PHE 73 -3.964 -14.411 -4.331 677 HE1 PHE 73 HE1 PHE 73 -1.491 -13.644 -0.135 678 HE2 PHE 73 HE2 PHE 73 -3.906 -16.171 -2.542 679 HZ PHE 73 HZ PHE 73 -2.670 -15.767 -0.466 680 QB PHE 73 QB PHE 73 -2.475 -12.035 -4.874 681 QD PHE 73 QD PHE 73 -2.757 -13.148 -3.127 682 QE PHE 73 QE PHE 73 -2.699 -14.908 -1.339 683 QR PHE 73 QR PHE 73 -2.728 -14.028 -2.233 684 H PHE 74 H PHE 74 -1.595 -9.466 -3.086 685 HA PHE 74 HA PHE 74 -1.802 -10.100 -0.377 686 1HB PHE 74 1HB PHE 74 -0.316 -8.299 -2.240 687 2HB PHE 74 2HB PHE 74 -0.462 -7.620 -0.631 688 HD1 PHE 74 HD1 PHE 74 0.690 -10.637 -2.460 689 HD2 PHE 74 HD2 PHE 74 0.944 -8.342 1.101 690 HE1 PHE 74 HE1 PHE 74 2.620 -12.046 -1.689 691 HE2 PHE 74 HE2 PHE 74 2.874 -9.751 1.871 692 HZ PHE 74 HZ PHE 74 3.688 -11.586 0.467 693 QB PHE 74 QB PHE 74 -0.389 -7.960 -1.436 694 QD PHE 74 QD PHE 74 0.817 -9.490 -0.680 695 QE PHE 74 QE PHE 74 2.747 -10.899 0.091 696 QR PHE 74 QR PHE 74 1.782 -10.194 -0.294 697 H VAL 75 H VAL 75 -3.623 -7.902 -2.347 698 HA VAL 75 HA VAL 75 -4.255 -6.161 -0.114 699 HB VAL 75 HB VAL 75 -4.687 -6.188 -3.063 700 1HG1 VAL 75 1HG1 VAL 75 -6.556 -4.934 -1.063 701 2HG1 VAL 75 2HG1 VAL 75 -6.251 -4.139 -2.626 702 3HG1 VAL 75 3HG1 VAL 75 -6.924 -5.786 -2.582 703 1HG2 VAL 75 1HG2 VAL 75 -2.817 -4.985 -1.734 704 2HG2 VAL 75 2HG2 VAL 75 -3.677 -4.077 -3.001 705 3HG2 VAL 75 3HG2 VAL 75 -4.088 -3.821 -1.288 706 MG1 VAL 75 MG1 VAL 75 -6.577 -4.953 -2.091 707 MG2 VAL 75 MG2 VAL 75 -3.528 -4.294 -2.008 708 QG VAL 75 QG VAL 75 -5.052 -4.624 -2.049 709 H ALA 76 H ALA 76 -6.153 -8.123 -2.524 710 HA ALA 76 HA ALA 76 -8.550 -8.071 -1.256 711 1HB ALA 76 1HB ALA 76 -7.951 -9.074 -3.502 712 2HB ALA 76 2HB ALA 76 -7.356 -10.508 -2.630 713 3HB ALA 76 3HB ALA 76 -9.074 -10.053 -2.527 714 MB ALA 76 MB ALA 76 -8.127 -9.878 -2.887 715 H LEU 77 H LEU 77 -5.587 -9.719 -0.281 716 HA LEU 77 HA LEU 77 -6.718 -11.667 1.367 717 1HB LEU 77 1HB LEU 77 -4.186 -10.864 0.573 718 2HB LEU 77 2HB LEU 77 -4.184 -10.569 2.300 719 HG LEU 77 HG LEU 77 -4.585 -13.180 0.843 720 1HD1 LEU 77 1HD1 LEU 77 -2.328 -11.982 1.821 721 2HD1 LEU 77 2HD1 LEU 77 -2.808 -13.026 3.180 722 3HD1 LEU 77 3HD1 LEU 77 -2.540 -13.732 1.568 723 1HD2 LEU 77 1HD2 LEU 77 -5.793 -12.368 3.369 724 2HD2 LEU 77 2HD2 LEU 77 -6.077 -13.814 2.370 725 3HD2 LEU 77 3HD2 LEU 77 -4.739 -13.791 3.544 726 MD1 LEU 77 MD1 LEU 77 -2.558 -12.913 2.190 727 MD2 LEU 77 MD2 LEU 77 -5.536 -13.324 3.094 728 QB LEU 77 QB LEU 77 -4.185 -10.716 1.436 729 QD LEU 77 QD LEU 77 -4.047 -13.119 2.642 730 H ARG 78 H ARG 78 -4.968 -8.743 2.598 731 HA ARG 78 HA ARG 78 -6.145 -8.847 5.053 732 1HB ARG 78 1HB ARG 78 -4.932 -6.550 3.459 733 2HB ARG 78 2HB ARG 78 -5.517 -6.301 5.092 734 1HG ARG 78 1HG ARG 78 -3.325 -8.227 4.203 735 2HG ARG 78 2HG ARG 78 -3.132 -6.800 5.202 736 1HD ARG 78 1HD ARG 78 -3.233 -8.356 6.908 737 2HD ARG 78 2HD ARG 78 -4.958 -8.101 6.730 738 HE ARG 78 HE ARG 78 -4.526 -10.089 4.906 739 1HH1 ARG 78 1HH1 ARG 78 -3.507 -9.759 8.283 740 2HH1 ARG 78 2HH1 ARG 78 -3.493 -11.466 8.576 741 2HH2 ARG 78 HH2 ARG 78 -4.084 -12.966 6.802 742 QB ARG 78 QB ARG 78 -5.225 -6.425 4.275 743 QG ARG 78 QG ARG 78 -3.229 -7.513 4.702 744 QD ARG 78 QD ARG 78 -4.095 -8.228 6.819 745 QH1 ARG 78 QH1 ARG 78 -3.500 -10.613 8.429 746 H LEU 79 H LEU 79 -7.201 -7.250 2.016 747 HA LEU 79 HA LEU 79 -9.102 -5.534 2.906 748 1HB LEU 79 1HB LEU 79 -8.268 -6.260 0.523 749 2HB LEU 79 2HB LEU 79 -9.681 -7.295 0.559 750 HG LEU 79 HG LEU 79 -9.919 -4.347 1.139 751 1HD1 LEU 79 1HD1 LEU 79 -9.103 -5.530 -1.369 752 2HD1 LEU 79 2HD1 LEU 79 -10.686 -4.734 -1.530 753 3HD1 LEU 79 3HD1 LEU 79 -9.287 -3.817 -0.922 754 1HD2 LEU 79 1HD2 LEU 79 -11.737 -6.339 1.369 755 2HD2 LEU 79 2HD2 LEU 79 -12.147 -4.646 1.003 756 3HD2 LEU 79 3HD2 LEU 79 -12.021 -5.836 -0.315 757 MD1 LEU 79 MD1 LEU 79 -9.692 -4.694 -1.274 758 MD2 LEU 79 MD2 LEU 79 -11.968 -5.607 0.686 759 QB LEU 79 QB LEU 79 -8.975 -6.777 0.541 760 QD LEU 79 QD LEU 79 -10.830 -5.150 -0.294 761 H VAL 80 H VAL 80 -9.327 -9.114 2.589 762 HA VAL 80 HA VAL 80 -12.051 -9.297 3.172 763 HB VAL 80 HB VAL 80 -9.706 -11.169 3.456 764 1HG1 VAL 80 1HG1 VAL 80 -12.270 -11.418 4.730 765 2HG1 VAL 80 2HG1 VAL 80 -12.130 -12.651 3.454 766 3HG1 VAL 80 3HG1 VAL 80 -10.898 -12.552 4.735 767 1HG2 VAL 80 1HG2 VAL 80 -11.114 -10.300 1.241 768 2HG2 VAL 80 2HG2 VAL 80 -10.139 -11.786 1.342 769 3HG2 VAL 80 3HG2 VAL 80 -11.895 -11.853 1.626 770 MG1 VAL 80 MG1 VAL 80 -11.766 -12.207 4.306 771 MG2 VAL 80 MG2 VAL 80 -11.049 -11.313 1.403 772 QG VAL 80 QG VAL 80 -11.408 -11.760 2.855 773 H ALA 81 H ALA 81 -9.115 -9.139 5.244 774 HA ALA 81 HA ALA 81 -10.365 -9.756 7.655 775 1HB ALA 81 2HB ALA 81 -8.218 -7.777 7.867 776 2HB ALA 81 1HB ALA 81 -7.808 -9.090 6.737 777 3HB ALA 81 3HB ALA 81 -8.263 -9.470 8.415 778 MB ALA 81 MB ALA 81 -8.096 -8.779 7.673 779 H CYS 82 H CYS 82 -10.696 -7.028 5.541 780 HA CYS 82 HA CYS 82 -11.336 -5.146 7.578 781 1HB CYS 82 1HB CYS 82 -10.547 -4.854 5.024 782 2HB CYS 82 2HB CYS 82 -12.277 -4.735 4.776 783 HG CYS 82 HG CYS 82 -11.825 -3.155 7.148 784 QB CYS 82 QB CYS 82 -11.412 -4.794 4.900 785 H ALA 83 H ALA 83 -13.303 -6.609 4.877 786 HA ALA 83 HA ALA 83 -15.771 -5.931 5.813 787 1HB ALA 83 1HB ALA 83 -14.704 -7.427 3.732 788 2HB ALA 83 3HB ALA 83 -16.437 -7.148 4.028 789 3HB ALA 83 2HB ALA 83 -15.656 -8.627 4.639 790 MB ALA 83 MB ALA 83 -15.599 -7.734 4.133 791 H GLN 84 H GLN 84 -13.490 -8.276 7.096 792 HA GLN 84 HA GLN 84 -15.295 -9.932 8.387 793 1HB GLN 84 1HB GLN 84 -12.395 -9.201 8.915 794 2HB GLN 84 2HB GLN 84 -13.245 -10.336 9.945 795 1HG GLN 84 1HG GLN 84 -13.713 -10.982 7.131 796 2HG GLN 84 2HG GLN 84 -11.992 -10.882 7.450 797 2HE2 GLN 84 1HE2 GLN 84 -12.982 -13.249 6.751 798 1HE2 GLN 84 2HE2 GLN 84 -13.036 -14.363 8.077 799 QB GLN 84 QB GLN 84 -12.820 -9.769 9.430 800 QG GLN 84 QG GLN 84 -12.853 -10.932 7.290 801 QE GLN 84 QE GLN 84 -13.009 -13.806 7.414 802 H ASN 85 H ASN 85 -14.603 -6.614 8.870 803 HA ASN 85 HA ASN 85 -15.544 -6.809 11.622 804 1HB ASN 85 1HB ASN 85 -13.251 -5.587 10.803 805 2HB ASN 85 2HB ASN 85 -14.357 -4.252 10.543 806 2HD2 ASN 85 1HD2 ASN 85 -14.223 -2.891 12.149 807 1HD2 ASN 85 2HD2 ASN 85 -14.188 -3.260 13.841 808 QB ASN 85 QB ASN 85 -13.804 -4.920 10.673 809 QD ASN 85 QD ASN 85 -14.205 -3.076 12.995 810 H GLY 86 H GLY 86 -16.611 -6.372 8.527 811 1HA GLY 86 1HA GLY 86 -18.679 -5.648 7.855 812 2HA GLY 86 2HA GLY 86 -18.880 -4.764 9.355 813 QA GLY 86 QA GLY 86 -18.779 -5.206 8.605 814 H LEU 87 H LEU 87 -15.767 -4.205 7.989 815 HA LEU 87 HA LEU 87 -16.502 -1.507 7.369 816 1HB LEU 87 1HB LEU 87 -13.895 -3.024 7.268 817 2HB LEU 87 2HB LEU 87 -14.050 -1.333 6.835 818 HG LEU 87 HG LEU 87 -14.935 -2.327 9.541 819 1HD1 LEU 87 1HD1 LEU 87 -12.628 -3.092 9.236 820 2HD1 LEU 87 2HD1 LEU 87 -12.133 -1.439 8.800 821 3HD1 LEU 87 3HD1 LEU 87 -12.731 -1.785 10.440 822 1HD2 LEU 87 1HD2 LEU 87 -15.572 -0.036 8.646 823 2HD2 LEU 87 2HD2 LEU 87 -14.756 -0.078 10.227 824 3HD2 LEU 87 3HD2 LEU 87 -13.846 0.382 8.768 825 MD1 LEU 87 MD1 LEU 87 -12.498 -2.106 9.492 826 MD2 LEU 87 MD2 LEU 87 -14.725 0.089 9.214 827 QB LEU 87 QB LEU 87 -13.973 -2.179 7.051 828 QD LEU 87 QD LEU 87 -13.611 -1.008 9.353 829 H GLU 88 H GLU 88 -15.741 -0.490 5.247 830 HA GLU 88 HA GLU 88 -17.157 -1.412 3.196 831 1HB GLU 88 1HB GLU 88 -15.591 0.735 3.544 832 2HB GLU 88 2HB GLU 88 -14.483 -0.184 2.545 833 1HG GLU 88 1HG GLU 88 -15.774 0.049 0.656 834 2HG GLU 88 2HG GLU 88 -17.278 -0.164 1.530 835 HE2 GLU 88 HE2 GLU 88 -17.349 1.889 -0.184 836 QB GLU 88 QB GLU 88 -15.037 0.275 3.044 837 QG GLU 88 QG GLU 88 -16.526 -0.058 1.093 838 H VAL 89 H VAL 89 -16.375 -2.295 0.986 839 HA VAL 89 HA VAL 89 -14.591 -4.561 1.531 840 HB VAL 89 HB VAL 89 -16.680 -4.293 -0.633 841 1HG1 VAL 89 1HG1 VAL 89 -15.112 -6.647 0.465 842 2HG1 VAL 89 2HG1 VAL 89 -16.496 -6.796 -0.645 843 3HG1 VAL 89 3HG1 VAL 89 -15.020 -5.949 -1.170 844 1HG2 VAL 89 1HG2 VAL 89 -17.167 -4.494 2.124 845 2HG2 VAL 89 2HG2 VAL 89 -18.316 -4.801 0.800 846 3HG2 VAL 89 3HG2 VAL 89 -17.374 -6.144 1.491 847 MG1 VAL 89 MG1 VAL 89 -15.543 -6.464 -0.450 848 MG2 VAL 89 MG2 VAL 89 -17.619 -5.146 1.472 849 QG VAL 89 QG VAL 89 -16.581 -5.805 0.511 850 H SER 90 H SER 90 -14.705 -1.495 0.137 851 HA SER 90 HA SER 90 -13.055 -2.249 -2.109 852 1HB SER 90 1HB SER 90 -14.511 0.250 -1.254 853 2HB SER 90 2HB SER 90 -13.149 0.418 -2.343 854 HG SER 90 HG SER 90 -15.161 -1.541 -2.922 855 QB SER 90 QB SER 90 -13.830 0.334 -1.799 856 H LEU 91 H LEU 91 -11.066 -0.664 -2.482 857 HA LEU 91 HA LEU 91 -9.242 -1.122 -0.460 858 1HB LEU 91 1HB LEU 91 -9.344 0.230 -3.029 859 2HB LEU 91 2HB LEU 91 -8.288 1.061 -1.904 860 HG LEU 91 HG LEU 91 -8.088 -1.811 -2.835 861 1HD1 LEU 91 1HD1 LEU 91 -7.111 0.531 -3.948 862 2HD1 LEU 91 2HD1 LEU 91 -5.723 -0.116 -3.041 863 3HD1 LEU 91 3HD1 LEU 91 -6.529 -1.120 -4.269 864 1HD2 LEU 91 1HD2 LEU 91 -7.226 -0.680 -0.328 865 2HD2 LEU 91 2HD2 LEU 91 -7.100 -2.352 -0.925 866 3HD2 LEU 91 3HD2 LEU 91 -5.819 -1.174 -1.299 867 MD1 LEU 91 MD1 LEU 91 -6.454 -0.235 -3.753 868 MD2 LEU 91 MD2 LEU 91 -6.715 -1.402 -0.850 869 QB LEU 91 QB LEU 91 -8.816 0.646 -2.466 870 QD LEU 91 QD LEU 91 -6.585 -0.818 -2.302 871 H SER 92 H SER 92 -11.755 1.265 -0.716 872 HA SER 92 HA SER 92 -10.528 3.270 0.789 873 1HB SER 92 1HB SER 92 -13.296 2.599 -0.117 874 2HB SER 92 2HB SER 92 -13.192 3.653 1.279 875 HG SER 92 HG SER 92 -13.187 4.960 -0.581 876 QB SER 92 QB SER 92 -13.244 3.126 0.581 877 H SER 93 H SER 93 -11.355 0.112 1.629 878 HA SER 93 HA SER 93 -12.177 0.810 4.309 879 1HB SER 93 1HB SER 93 -12.829 -1.294 2.578 880 2HB SER 93 2HB SER 93 -11.750 -2.051 3.733 881 HG SER 93 HG SER 93 -13.777 -2.211 4.655 882 QB SER 93 QB SER 93 -12.290 -1.672 3.155 883 H LEU 94 H LEU 94 -9.342 0.120 2.468 884 HA LEU 94 HA LEU 94 -7.903 -1.033 4.701 885 1HB LEU 94 1HB LEU 94 -7.429 -0.619 1.795 886 2HB LEU 94 2HB LEU 94 -6.022 -0.664 2.839 887 HG LEU 94 HG LEU 94 -8.063 -2.837 2.362 888 1HD1 LEU 94 1HD1 LEU 94 -5.832 -2.308 0.978 889 2HD1 LEU 94 2HD1 LEU 94 -5.129 -3.308 2.272 890 3HD1 LEU 94 3HD1 LEU 94 -6.436 -3.959 1.254 891 1HD2 LEU 94 1HD2 LEU 94 -6.139 -2.532 4.655 892 2HD2 LEU 94 2HD2 LEU 94 -7.846 -3.039 4.665 893 3HD2 LEU 94 3HD2 LEU 94 -6.593 -4.142 4.047 894 MD1 LEU 94 MD1 LEU 94 -5.799 -3.192 1.501 895 MD2 LEU 94 MD2 LEU 94 -6.859 -3.238 4.456 896 QB LEU 94 QB LEU 94 -6.726 -0.641 2.317 897 QD LEU 94 QD LEU 94 -6.329 -3.215 2.978 898 H SER 95 H SER 95 -5.480 0.053 4.801 899 HA SER 95 HA SER 95 -4.254 1.832 5.212 900 1HB SER 95 1HB SER 95 -4.760 3.961 4.436 901 2HB SER 95 2HB SER 95 -5.837 3.005 3.435 902 HG SER 95 HG SER 95 -7.458 4.106 4.275 903 QB SER 95 QB SER 95 -5.298 3.483 3.935 904 H LEU 96 H LEU 96 -6.862 0.620 6.793 905 HA LEU 96 HA LEU 96 -6.547 2.446 9.073 906 1HB LEU 96 1HB LEU 96 -8.851 0.626 9.064 907 2HB LEU 96 2HB LEU 96 -8.735 2.314 9.523 908 HG LEU 96 HG LEU 96 -8.725 1.446 6.629 909 1HD1 LEU 96 1HD1 LEU 96 -11.079 1.884 8.463 910 2HD1 LEU 96 2HD1 LEU 96 -11.195 2.123 6.703 911 3HD1 LEU 96 3HD1 LEU 96 -10.753 0.527 7.358 912 1HD2 LEU 96 1HD2 LEU 96 -9.095 4.054 8.085 913 2HD2 LEU 96 2HD2 LEU 96 -7.996 3.651 6.745 914 3HD2 LEU 96 3HD2 LEU 96 -9.743 3.814 6.445 915 MD1 LEU 96 MD1 LEU 96 -11.009 1.511 7.508 916 MD2 LEU 96 MD2 LEU 96 -8.944 3.839 7.092 917 QB LEU 96 QB LEU 96 -8.793 1.470 9.293 918 QD LEU 96 QD LEU 96 -9.977 2.675 7.300 919 H ALA 97 H ALA 97 -7.629 0.732 11.048 920 HA ALA 97 HA ALA 97 -5.439 -1.199 11.209 921 1HB ALA 97 1HB ALA 97 -7.198 0.225 13.222 922 2HB ALA 97 2HB ALA 97 -6.239 -1.204 13.674 923 3HB ALA 97 3HB ALA 97 -5.425 0.258 13.069 924 MB ALA 97 MB ALA 97 -6.287 -0.240 13.322 925 H VAL 98 H VAL 98 -7.097 -2.189 9.408 926 HA VAL 98 HA VAL 98 -9.442 -3.378 10.196 927 HB VAL 98 HB VAL 98 -9.096 -4.876 8.322 928 1HG1 VAL 98 1HG1 VAL 98 -9.670 -2.440 7.978 929 2HG1 VAL 98 2HG1 VAL 98 -7.953 -2.161 7.601 930 3HG1 VAL 98 3HG1 VAL 98 -8.923 -3.248 6.579 931 1HG2 VAL 98 1HG2 VAL 98 -6.396 -4.763 9.017 932 2HG2 VAL 98 2HG2 VAL 98 -7.098 -5.572 7.595 933 3HG2 VAL 98 3HG2 VAL 98 -6.485 -3.907 7.459 934 MG1 VAL 98 MG1 VAL 98 -8.849 -2.617 7.386 935 MG2 VAL 98 MG2 VAL 98 -6.660 -4.747 8.024 936 QG VAL 98 QG VAL 98 -7.754 -3.682 7.705 937 HA PRO 99 HA PRO 99 -8.217 -6.503 12.922 938 1HB PRO 99 1HB PRO 99 -10.407 -8.135 12.833 939 2HB PRO 99 2HB PRO 99 -10.342 -6.670 13.792 940 1HG PRO 99 2HG PRO 99 -12.012 -5.876 12.414 941 2HG PRO 99 1HG PRO 99 -11.757 -7.154 11.242 942 1HD PRO 99 1HD PRO 99 -10.654 -5.651 9.898 943 2HD PRO 99 2HD PRO 99 -10.809 -4.405 11.120 944 QB PRO 99 QB PRO 99 -10.375 -7.403 13.313 945 QG PRO 99 QG PRO 99 -11.884 -6.515 11.828 946 QD PRO 99 QD PRO 99 -10.731 -5.028 10.509 947 HA PRO 100 HA PRO 100 -6.626 -9.920 10.964 948 1HB PRO 100 1HB PRO 100 -6.824 -11.977 12.751 949 2HB PRO 100 2HB PRO 100 -5.587 -10.740 12.847 950 1HG PRO 100 1HG PRO 100 -8.013 -11.067 14.504 951 2HG PRO 100 2HG PRO 100 -6.575 -10.123 14.838 952 1HD PRO 100 1HD PRO 100 -9.117 -9.125 13.960 953 2HD PRO 100 2HD PRO 100 -7.646 -8.198 14.182 954 QB PRO 100 QB PRO 100 -6.206 -11.359 12.799 955 QG PRO 100 QG PRO 100 -7.294 -10.595 14.671 956 QD PRO 100 QD PRO 100 -8.381 -8.662 14.071 957 HA PRO 101 HA PRO 101 -9.701 -12.027 8.921 958 1HB PRO 101 1HB PRO 101 -8.204 -13.591 7.254 959 2HB PRO 101 2HB PRO 101 -8.582 -11.914 6.912 960 1HG PRO 101 1HG PRO 101 -6.031 -13.088 7.836 961 2HG PRO 101 2HG PRO 101 -6.316 -11.526 7.093 962 1HD PRO 101 1HD PRO 101 -5.841 -12.043 9.874 963 2HD PRO 101 2HD PRO 101 -6.240 -10.499 9.148 964 QB PRO 101 QB PRO 101 -8.393 -12.753 7.083 965 QG PRO 101 QG PRO 101 -6.173 -12.307 7.464 966 QD PRO 101 QD PRO 101 -6.040 -11.271 9.511 967 H ARG 102 H ARG 102 -9.775 -14.603 7.924 968 HA ARG 102 HA ARG 102 -9.875 -15.958 10.477 969 1HB ARG 102 1HB ARG 102 -11.757 -15.778 8.485 970 2HB ARG 102 2HB ARG 102 -10.971 -17.270 8.010 971 1HG ARG 102 1HG ARG 102 -11.733 -18.428 9.856 972 2HG ARG 102 2HG ARG 102 -11.571 -17.050 10.926 973 1HD ARG 102 1HD ARG 102 -13.674 -16.139 10.292 974 2HD ARG 102 2HD ARG 102 -13.717 -17.026 8.782 975 HE ARG 102 HE ARG 102 -14.487 -18.039 11.433 976 1HH1 ARG 102 1HH1 ARG 102 -13.592 -18.920 8.120 977 2HH1 ARG 102 2HH1 ARG 102 -14.337 -20.481 8.202 978 2HH2 ARG 102 HH2 ARG 102 -15.435 -21.154 10.223 979 QB ARG 102 QB ARG 102 -11.364 -16.524 8.248 980 QG ARG 102 QG ARG 102 -11.652 -17.739 10.391 981 QD ARG 102 QD ARG 102 -13.695 -16.583 9.537 982 QH1 ARG 102 QH1 ARG 102 -13.964 -19.701 8.161 983 H PHE 103 H PHE 103 -8.344 -15.979 7.270 984 HA PHE 103 HA PHE 103 -7.469 -18.459 6.883 985 1HB PHE 103 1HB PHE 103 -5.608 -16.018 6.936 986 2HB PHE 103 2HB PHE 103 -5.528 -17.366 5.820 987 HD1 PHE 103 HD1 PHE 103 -7.779 -17.707 4.406 988 HD2 PHE 103 HD2 PHE 103 -6.527 -14.053 6.163 989 HE1 PHE 103 HE1 PHE 103 -9.193 -16.435 2.768 990 HE2 PHE 103 HE2 PHE 103 -7.941 -12.781 4.525 991 HZ PHE 103 HZ PHE 103 -9.257 -13.987 2.847 992 QB PHE 103 QB PHE 103 -5.568 -16.692 6.378 993 QD PHE 103 QD PHE 103 -7.153 -15.880 5.284 994 QE PHE 103 QE PHE 103 -8.567 -14.608 3.647 995 QR PHE 103 QR PHE 103 -7.860 -15.244 4.465 996 H HIS 104 H HIS 104 -5.329 -19.549 7.329 997 HA HIS 104 HA HIS 104 -4.984 -19.776 10.105 998 1HB HIS 104 1HB HIS 104 -3.886 -21.008 7.654 999 2HB HIS 104 2HB HIS 104 -2.798 -21.020 9.028 1000 HD1 HIS 104 HD1 HIS 104 -4.515 -23.475 7.648 1001 HD2 HIS 104 HD2 HIS 104 -5.140 -21.631 11.364 1002 HE1 HIS 104 HE1 HIS 104 -5.790 -25.161 9.077 1003 QB HIS 104 QB HIS 104 -3.342 -21.014 8.341 1004 H ASP 105 H ASP 105 -2.705 -19.626 11.150 1005 HA ASP 105 HA ASP 105 -1.949 -16.949 10.998 1006 1HB ASP 105 1HB ASP 105 0.096 -17.962 12.384 1007 2HB ASP 105 2HB ASP 105 -1.502 -17.841 13.093 1008 HD2 ASP 105 HD2 ASP 105 -2.570 -20.608 13.055 1009 QB ASP 105 QB ASP 105 -0.703 -17.901 12.738 No H/Q in entry = 1009 Start of MODEL 4 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.354 1.031 -1.458 3 1HB LEU 7 1HB LEU 7 3.117 -1.860 -1.061 4 2HB LEU 7 2HB LEU 7 3.977 -0.643 -1.983 5 HG LEU 7 HG LEU 7 3.756 -0.933 1.007 6 1HD1 LEU 7 1HD1 LEU 7 5.871 -1.179 -1.050 7 2HD1 LEU 7 2HD1 LEU 7 6.346 -0.390 0.473 8 3HD1 LEU 7 3HD1 LEU 7 5.658 -2.032 0.498 9 1HD2 LEU 7 1HD2 LEU 7 4.612 1.550 -0.503 10 2HD2 LEU 7 2HD2 LEU 7 3.249 1.389 0.631 11 3HD2 LEU 7 3HD2 LEU 7 4.922 1.252 1.225 12 MD1 LEU 7 MD1 LEU 7 5.958 -1.200 -0.027 13 MD2 LEU 7 MD2 LEU 7 4.261 1.397 0.451 14 QB LEU 7 QB LEU 7 3.547 -1.251 -1.522 15 QD LEU 7 QD LEU 7 5.110 0.098 0.212 16 H SER 8 H SER 8 2.797 -1.229 -3.409 17 HA SER 8 HA SER 8 0.881 -0.762 -5.154 18 1HB SER 8 1HB SER 8 1.769 -3.636 -4.853 19 2HB SER 8 2HB SER 8 1.576 -2.693 -6.318 20 HG SER 8 HG SER 8 3.427 -1.332 -5.320 21 QB SER 8 QB SER 8 1.672 -3.165 -5.585 22 H LEU 9 H LEU 9 -1.101 -1.917 -5.888 23 HA LEU 9 HA LEU 9 -3.044 -2.127 -4.057 24 1HB LEU 9 1HB LEU 9 -2.820 -3.852 -6.526 25 2HB LEU 9 2HB LEU 9 -4.293 -3.431 -5.676 26 HG LEU 9 HG LEU 9 -2.573 -1.737 -7.455 27 1HD1 LEU 9 1HD1 LEU 9 -5.366 -2.715 -7.367 28 2HD1 LEU 9 2HD1 LEU 9 -5.138 -1.050 -7.955 29 3HD1 LEU 9 3HD1 LEU 9 -4.293 -2.399 -8.752 30 1HD2 LEU 9 1HD2 LEU 9 -4.168 -0.771 -5.106 31 2HD2 LEU 9 2HD2 LEU 9 -2.598 -0.211 -5.731 32 3HD2 LEU 9 3HD2 LEU 9 -4.099 0.207 -6.591 33 MD1 LEU 9 MD1 LEU 9 -4.932 -2.055 -8.025 34 MD2 LEU 9 MD2 LEU 9 -3.621 -0.258 -5.810 35 QB LEU 9 QB LEU 9 -3.556 -3.642 -6.101 36 QD LEU 9 QD LEU 9 -4.277 -1.157 -6.917 37 H THR 10 H THR 10 -0.603 -4.605 -4.877 38 HA THR 10 HA THR 10 -1.774 -6.780 -3.606 39 HB THR 10 HB THR 10 1.112 -5.918 -4.128 40 HG1 THR 10 HG1 THR 10 -0.639 -6.506 -5.803 41 1HG2 THR 10 1HG2 THR 10 0.631 -7.780 -2.236 42 2HG2 THR 10 2HG2 THR 10 0.300 -8.791 -3.663 43 3HG2 THR 10 3HG2 THR 10 1.896 -8.028 -3.464 44 MG THR 10 MG THR 10 0.942 -8.200 -3.121 45 H GLN 11 H GLN 11 0.501 -4.306 -2.251 46 HA GLN 11 HA GLN 11 0.250 -5.454 0.326 47 1HB GLN 11 1HB GLN 11 1.857 -3.404 -0.983 48 2HB GLN 11 2HB GLN 11 1.272 -2.812 0.559 49 1HG GLN 11 1HG GLN 11 2.040 -5.405 1.206 50 2HG GLN 11 2HG GLN 11 3.223 -4.977 -0.014 51 2HE2 GLN 11 1HE2 GLN 11 4.659 -5.207 1.859 52 1HE2 GLN 11 2HE2 GLN 11 4.959 -3.835 2.873 53 QB GLN 11 QB GLN 11 1.564 -3.108 -0.212 54 QG GLN 11 QG GLN 11 2.631 -5.191 0.596 55 QE GLN 11 QE GLN 11 4.809 -4.521 2.366 56 H LEU 12 H LEU 12 -1.324 -2.855 -1.528 57 HA LEU 12 HA LEU 12 -2.432 -1.360 0.474 58 1HB LEU 12 1HB LEU 12 -2.513 -1.275 -2.165 59 2HB LEU 12 2HB LEU 12 -4.060 -2.063 -1.928 60 HG LEU 12 HG LEU 12 -4.475 0.265 -2.120 61 1HD1 LEU 12 1HD1 LEU 12 -5.641 -1.064 -0.272 62 2HD1 LEU 12 2HD1 LEU 12 -4.589 -0.183 0.862 63 3HD1 LEU 12 3HD1 LEU 12 -5.719 0.712 -0.183 64 1HD2 LEU 12 1HD2 LEU 12 -2.140 0.557 -0.263 65 2HD2 LEU 12 2HD2 LEU 12 -2.506 1.405 -1.785 66 3HD2 LEU 12 3HD2 LEU 12 -3.398 1.816 -0.300 67 MD1 LEU 12 MD1 LEU 12 -5.316 -0.179 0.136 68 MD2 LEU 12 MD2 LEU 12 -2.681 1.259 -0.783 69 QB LEU 12 QB LEU 12 -3.287 -1.669 -2.047 70 QD LEU 12 QD LEU 12 -3.999 0.540 -0.324 71 H SER 13 H SER 13 -3.410 -4.580 -0.771 72 HA SER 13 HA SER 13 -4.685 -5.144 1.661 73 1HB SER 13 1HB SER 13 -6.346 -4.095 -0.559 74 2HB SER 13 2HB SER 13 -6.916 -5.626 0.074 75 HG SER 13 HG SER 13 -7.849 -4.352 1.542 76 QB SER 13 QB SER 13 -6.631 -4.860 -0.243 77 H SER 14 H SER 14 -2.705 -6.575 0.787 78 HA SER 14 HA SER 14 -1.945 -8.411 -0.127 79 1HB SER 14 1HB SER 14 -4.231 -9.018 1.487 80 2HB SER 14 2HB SER 14 -4.276 -10.117 0.123 81 HG SER 14 HG SER 14 -2.185 -10.872 0.635 82 QB SER 14 QB SER 14 -4.254 -9.568 0.805 83 H GLY 15 H GLY 15 -3.428 -6.556 -1.979 84 1HA GLY 15 1HA GLY 15 -3.868 -6.538 -4.192 85 2HA GLY 15 2HA GLY 15 -3.456 -8.239 -4.275 86 QA GLY 15 QA GLY 15 -3.662 -7.388 -4.234 87 H ASN 16 H ASN 16 -6.027 -6.379 -2.491 88 HA ASN 16 HA ASN 16 -7.896 -8.418 -3.230 89 1HB ASN 16 1HB ASN 16 -7.724 -7.138 -0.938 90 2HB ASN 16 2HB ASN 16 -8.537 -5.822 -1.761 91 2HD2 ASN 16 1HD2 ASN 16 -9.474 -7.366 0.460 92 1HD2 ASN 16 2HD2 ASN 16 -10.947 -8.152 -0.001 93 QB ASN 16 QB ASN 16 -8.131 -6.480 -1.349 94 QD ASN 16 QD ASN 16 -10.211 -7.759 0.229 95 HA PRO 17 HA PRO 17 -9.106 -5.848 -6.642 96 1HB PRO 17 1HB PRO 17 -10.768 -7.642 -7.861 97 2HB PRO 17 2HB PRO 17 -9.037 -7.600 -8.135 98 1HG PRO 17 1HG PRO 17 -10.614 -9.521 -6.534 99 2HG PRO 17 2HG PRO 17 -8.988 -9.691 -7.164 100 1HD PRO 17 1HD PRO 17 -9.727 -9.110 -4.454 101 2HD PRO 17 2HD PRO 17 -8.102 -9.166 -5.108 102 QB PRO 17 QB PRO 17 -9.903 -7.621 -7.998 103 QG PRO 17 QG PRO 17 -9.801 -9.606 -6.849 104 QD PRO 17 QD PRO 17 -8.915 -9.138 -4.781 105 H VAL 18 H VAL 18 -10.979 -7.047 -4.124 106 HA VAL 18 HA VAL 18 -13.519 -6.360 -4.786 107 HB VAL 18 HB VAL 18 -12.736 -7.423 -2.697 108 1HG1 VAL 18 1HG1 VAL 18 -10.899 -5.630 -2.362 109 2HG1 VAL 18 2HG1 VAL 18 -12.185 -4.669 -1.592 110 3HG1 VAL 18 3HG1 VAL 18 -11.742 -6.259 -0.925 111 1HG2 VAL 18 1HG2 VAL 18 -14.755 -5.265 -2.853 112 2HG2 VAL 18 2HG2 VAL 18 -14.920 -6.962 -2.340 113 3HG2 VAL 18 3HG2 VAL 18 -14.281 -5.746 -1.207 114 MG1 VAL 18 MG1 VAL 18 -11.609 -5.520 -1.626 115 MG2 VAL 18 MG2 VAL 18 -14.652 -5.991 -2.133 116 QG VAL 18 QG VAL 18 -13.130 -5.755 -1.880 117 H TYR 19 H TYR 19 -10.788 -4.208 -3.890 118 HA TYR 19 HA TYR 19 -12.327 -1.865 -3.664 119 1HB TYR 19 1HB TYR 19 -9.452 -2.745 -4.128 120 2HB TYR 19 2HB TYR 19 -9.811 -1.054 -4.416 121 HD1 TYR 19 HD1 TYR 19 -10.499 0.423 -2.557 122 HD2 TYR 19 HD2 TYR 19 -9.444 -3.668 -1.880 123 HE1 TYR 19 HE1 TYR 19 -10.259 0.889 -0.070 124 HE2 TYR 19 HE2 TYR 19 -9.207 -3.188 0.606 125 HH TYR 19 HH TYR 19 -9.266 0.054 1.828 126 QB TYR 19 QB TYR 19 -9.632 -1.900 -4.272 127 QD TYR 19 QD TYR 19 -9.971 -1.623 -2.218 128 QE TYR 19 QE TYR 19 -9.733 -1.149 0.268 129 QR TYR 19 QR TYR 19 -9.852 -1.386 -0.975 130 H GLU 20 H GLU 20 -10.621 -3.448 -6.420 131 HA GLU 20 HA GLU 20 -10.805 -1.381 -8.198 132 1HB GLU 20 1HB GLU 20 -10.132 -4.163 -8.245 133 2HB GLU 20 2HB GLU 20 -11.253 -3.896 -9.565 134 1HG GLU 20 1HG GLU 20 -9.214 -1.759 -9.331 135 2HG GLU 20 2HG GLU 20 -8.516 -3.341 -9.617 136 HE2 GLU 20 HE2 GLU 20 -8.026 -2.814 -11.755 137 QB GLU 20 QB GLU 20 -10.692 -4.030 -8.905 138 QG GLU 20 QG GLU 20 -8.865 -2.550 -9.474 139 H LYS 21 H LYS 21 -13.235 -3.854 -7.254 140 HA LYS 21 HA LYS 21 -15.090 -3.582 -9.204 141 1HB LYS 21 1HB LYS 21 -15.440 -3.922 -6.216 142 2HB LYS 21 2HB LYS 21 -16.769 -4.041 -7.352 143 1HG LYS 21 1HG LYS 21 -14.549 -5.631 -8.340 144 2HG LYS 21 2HG LYS 21 -14.852 -6.061 -6.668 145 1HD LYS 21 1HD LYS 21 -17.289 -6.378 -7.209 146 2HD LYS 21 2HD LYS 21 -16.954 -5.994 -8.885 147 1HE LYS 21 1HE LYS 21 -16.682 -8.259 -9.111 148 2HE LYS 21 2HE LYS 21 -15.079 -7.955 -8.470 149 QB LYS 21 QB LYS 21 -16.105 -3.981 -6.784 150 QD LYS 21 QD LYS 21 -17.121 -6.186 -8.047 151 QG LYS 21 QG LYS 21 -14.701 -5.846 -7.504 152 QE LYS 21 QE LYS 21 -15.880 -8.107 -8.791 153 QZ LYS 21 QZ LYS 21 -16.078 -9.010 -6.688 154 H TYR 22 H TYR 22 -14.672 -1.435 -6.312 155 HA TYR 22 HA TYR 22 -16.757 0.311 -7.099 156 1HB TYR 22 2HB TYR 22 -15.757 1.655 -5.236 157 2HB TYR 22 1HB TYR 22 -14.245 0.780 -5.378 158 HD1 TYR 22 HD1 TYR 22 -17.767 -0.502 -5.255 159 HD2 TYR 22 HD2 TYR 22 -13.940 -0.333 -3.350 160 HE1 TYR 22 HE1 TYR 22 -18.558 -2.164 -3.501 161 HE2 TYR 22 HE2 TYR 22 -14.744 -1.995 -1.603 162 HH TYR 22 HH TYR 22 -16.347 -3.612 -1.263 163 QB TYR 22 QB TYR 22 -15.001 1.217 -5.307 164 QD TYR 22 QD TYR 22 -15.853 -0.418 -4.303 165 QE TYR 22 QE TYR 22 -16.651 -2.080 -2.552 166 QR TYR 22 QR TYR 22 -16.252 -1.249 -3.427 167 H TYR 23 H TYR 23 -13.168 0.312 -7.499 168 HA TYR 23 HA TYR 23 -12.861 2.868 -8.473 169 1HB TYR 23 1HB TYR 23 -11.152 1.010 -7.882 170 2HB TYR 23 2HB TYR 23 -11.555 0.235 -9.402 171 HD1 TYR 23 HD1 TYR 23 -11.212 3.906 -8.918 172 HD2 TYR 23 HD2 TYR 23 -9.416 0.336 -10.446 173 HE1 TYR 23 HE1 TYR 23 -9.441 5.295 -10.101 174 HE2 TYR 23 HE2 TYR 23 -7.651 1.737 -11.624 175 HH TYR 23 HH TYR 23 -7.786 5.280 -11.501 176 QB TYR 23 QB TYR 23 -11.353 0.622 -8.642 177 QD TYR 23 QD TYR 23 -10.314 2.121 -9.682 178 QE TYR 23 QE TYR 23 -8.546 3.516 -10.863 179 QR TYR 23 QR TYR 23 -9.430 2.818 -10.272 180 H ARG 24 H ARG 24 -14.230 -0.016 -10.032 181 HA ARG 24 HA ARG 24 -14.015 1.154 -12.620 182 1HB ARG 24 1HB ARG 24 -14.006 -1.388 -11.990 183 2HB ARG 24 2HB ARG 24 -15.747 -1.238 -11.863 184 1HG ARG 24 1HG ARG 24 -14.336 -0.243 -14.356 185 2HG ARG 24 2HG ARG 24 -14.652 -1.956 -14.165 186 1HD ARG 24 1HD ARG 24 -17.031 -0.371 -13.490 187 2HD ARG 24 2HD ARG 24 -16.466 0.005 -15.106 188 HE ARG 24 HE ARG 24 -16.521 -2.869 -14.591 189 1HH1 ARG 24 1HH1 ARG 24 -18.498 -0.101 -15.582 190 2HH1 ARG 24 2HH1 ARG 24 -19.657 -1.072 -16.426 191 2HH2 ARG 24 HH2 ARG 24 -19.374 -3.451 -16.485 192 QB ARG 24 QB ARG 24 -14.876 -1.313 -11.926 193 QG ARG 24 QG ARG 24 -14.494 -1.100 -14.261 194 QD ARG 24 QD ARG 24 -16.748 -0.183 -14.298 195 QH1 ARG 24 QH1 ARG 24 -19.077 -0.586 -16.004 196 H GLN 25 H GLN 25 -16.314 1.012 -9.945 197 HA GLN 25 HA GLN 25 -18.647 1.460 -11.366 198 1HB GLN 25 1HB GLN 25 -17.737 1.631 -8.553 199 2HB GLN 25 2HB GLN 25 -19.055 2.724 -8.925 200 1HG GLN 25 1HG GLN 25 -19.672 0.218 -10.186 201 2HG GLN 25 2HG GLN 25 -19.139 -0.152 -8.558 202 2HE2 GLN 25 1HE2 GLN 25 -19.964 1.686 -6.947 203 1HE2 GLN 25 2HE2 GLN 25 -21.677 1.942 -6.977 204 QB GLN 25 QB GLN 25 -18.396 2.177 -8.739 205 QG GLN 25 QG GLN 25 -19.405 0.033 -9.372 206 QE GLN 25 QE GLN 25 -20.821 1.814 -6.962 207 H VAL 26 H VAL 26 -16.040 3.630 -10.261 208 HA VAL 26 HA VAL 26 -17.560 5.996 -10.874 209 HB VAL 26 HB VAL 26 -15.852 7.145 -9.895 210 1HG1 VAL 26 1HG1 VAL 26 -16.748 5.260 -8.403 211 2HG1 VAL 26 2HG1 VAL 26 -15.192 4.448 -8.696 212 3HG1 VAL 26 3HG1 VAL 26 -15.229 6.042 -7.905 213 1HG2 VAL 26 1HG2 VAL 26 -14.045 5.074 -11.113 214 2HG2 VAL 26 2HG2 VAL 26 -14.003 6.847 -11.257 215 3HG2 VAL 26 3HG2 VAL 26 -13.465 6.064 -9.753 216 MG1 VAL 26 MG1 VAL 26 -15.723 5.250 -8.335 217 MG2 VAL 26 MG2 VAL 26 -13.838 5.995 -10.707 218 QG VAL 26 QG VAL 26 -14.780 5.622 -9.521 219 H GLU 27 H GLU 27 -15.094 3.891 -12.383 220 HA GLU 27 HA GLU 27 -14.185 5.503 -14.341 221 1HB GLU 27 1HB GLU 27 -13.413 3.179 -13.916 222 2HB GLU 27 2HB GLU 27 -14.909 2.548 -14.576 223 1HG GLU 27 1HG GLU 27 -13.876 4.367 -16.531 224 2HG GLU 27 2HG GLU 27 -12.514 3.406 -15.988 225 HE2 GLU 27 HE2 GLU 27 -13.248 1.062 -15.708 226 QB GLU 27 QB GLU 27 -14.161 2.864 -14.246 227 QG GLU 27 QG GLU 27 -13.195 3.886 -16.259 228 H ALA 28 H ALA 28 -14.827 6.075 -16.485 229 HA ALA 28 HA ALA 28 -17.697 5.667 -16.977 230 1HB ALA 28 2HB ALA 28 -17.449 7.824 -18.310 231 2HB ALA 28 3HB ALA 28 -17.270 7.987 -16.546 232 3HB ALA 28 1HB ALA 28 -15.829 7.984 -17.590 233 MB ALA 28 MB ALA 28 -16.849 7.931 -17.482 234 H GLY 29 H GLY 29 -18.252 5.736 -19.397 235 1HA GLY 29 1HA GLY 29 -18.070 4.760 -21.413 236 2HA GLY 29 2HA GLY 29 -16.406 5.309 -21.412 237 QA GLY 29 QA GLY 29 -17.238 5.034 -21.412 238 H ASN 30 H ASN 30 -16.205 3.193 -22.708 239 HA ASN 30 HA ASN 30 -15.850 1.007 -20.809 240 1HB ASN 30 1HB ASN 30 -17.543 0.954 -22.958 241 2HB ASN 30 2HB ASN 30 -16.073 0.437 -23.759 242 2HD2 ASN 30 1HD2 ASN 30 -18.760 -0.609 -22.253 243 1HD2 ASN 30 2HD2 ASN 30 -18.257 -2.160 -21.668 244 QB ASN 30 QB ASN 30 -16.808 0.696 -23.358 245 QD ASN 30 QD ASN 30 -18.508 -1.384 -21.960 246 H THR 31 H THR 31 -13.802 2.872 -21.034 247 HA THR 31 HA THR 31 -11.947 1.811 -23.044 248 HB THR 31 HB THR 31 -10.679 3.935 -22.431 249 HG1 THR 31 HG1 THR 31 -11.599 4.144 -20.282 250 1HG2 THR 31 1HG2 THR 31 -12.900 3.748 -24.067 251 2HG2 THR 31 2HG2 THR 31 -13.448 4.961 -22.885 252 3HG2 THR 31 3HG2 THR 31 -11.969 5.247 -23.832 253 MG THR 31 MG THR 31 -12.772 4.652 -23.595 254 H GLY 32 H GLY 32 -12.506 2.155 -19.540 255 1HA GLY 32 1HA GLY 32 -11.662 0.576 -18.032 256 2HA GLY 32 2HA GLY 32 -10.329 0.231 -19.116 257 QA GLY 32 QA GLY 32 -10.996 0.403 -18.574 258 H ARG 33 H ARG 33 -11.396 3.567 -18.409 259 HA ARG 33 HA ARG 33 -9.099 3.836 -16.657 260 1HB ARG 33 1HB ARG 33 -9.667 5.288 -19.228 261 2HB ARG 33 2HB ARG 33 -9.049 6.265 -17.912 262 1HG ARG 33 1HG ARG 33 -7.117 4.696 -17.650 263 2HG ARG 33 2HG ARG 33 -7.737 3.712 -18.961 264 1HD ARG 33 1HD ARG 33 -7.457 6.599 -19.641 265 2HD ARG 33 2HD ARG 33 -5.941 5.802 -19.268 266 HE ARG 33 HE ARG 33 -7.042 3.990 -20.968 267 1HH1 ARG 33 1HH1 ARG 33 -6.789 7.515 -21.228 268 2HH1 ARG 33 2HH1 ARG 33 -6.740 7.507 -22.960 269 2HH2 ARG 33 HH2 ARG 33 -6.853 5.418 -24.128 270 QB ARG 33 QB ARG 33 -9.358 5.777 -18.570 271 QG ARG 33 QG ARG 33 -7.427 4.204 -18.305 272 QD ARG 33 QD ARG 33 -6.699 6.200 -19.454 273 QH1 ARG 33 QH1 ARG 33 -6.764 7.511 -22.094 274 H VAL 34 H VAL 34 -9.341 5.497 -15.018 275 HA VAL 34 HA VAL 34 -12.123 6.252 -14.616 276 HB VAL 34 HB VAL 34 -9.674 6.198 -12.852 277 1HG1 VAL 34 1HG1 VAL 34 -12.400 7.391 -12.355 278 2HG1 VAL 34 2HG1 VAL 34 -11.420 6.744 -11.018 279 3HG1 VAL 34 3HG1 VAL 34 -10.792 8.076 -12.018 280 1HG2 VAL 34 1HG2 VAL 34 -12.165 4.525 -13.111 281 2HG2 VAL 34 2HG2 VAL 34 -10.463 4.014 -13.010 282 3HG2 VAL 34 3HG2 VAL 34 -11.298 4.621 -11.560 283 MG1 VAL 34 MG1 VAL 34 -11.537 7.404 -11.797 284 MG2 VAL 34 MG2 VAL 34 -11.309 4.386 -12.560 285 QG VAL 34 QG VAL 34 -11.423 5.895 -12.179 286 H LEU 35 H LEU 35 -12.778 8.166 -15.441 287 HA LEU 35 HA LEU 35 -11.012 10.112 -16.362 288 1HB LEU 35 1HB LEU 35 -13.843 9.650 -16.228 289 2HB LEU 35 2HB LEU 35 -13.505 11.311 -15.784 290 HG LEU 35 HG LEU 35 -12.513 9.991 -18.325 291 1HD1 LEU 35 1HD1 LEU 35 -14.976 11.652 -17.783 292 2HD1 LEU 35 2HD1 LEU 35 -14.258 11.499 -19.405 293 3HD1 LEU 35 3HD1 LEU 35 -14.855 10.053 -18.555 294 1HD2 LEU 35 1HD2 LEU 35 -11.184 11.925 -17.397 295 2HD2 LEU 35 2HD2 LEU 35 -11.827 12.146 -19.042 296 3HD2 LEU 35 3HD2 LEU 35 -12.623 12.939 -17.661 297 MD1 LEU 35 MD1 LEU 35 -14.696 11.068 -18.581 298 MD2 LEU 35 MD2 LEU 35 -11.878 12.337 -18.033 299 QB LEU 35 QB LEU 35 -13.674 10.480 -16.006 300 QD LEU 35 QD LEU 35 -13.287 11.702 -18.307 301 H ALA 36 H ALA 36 -11.869 9.227 -13.164 302 HA ALA 36 HA ALA 36 -11.030 10.064 -11.256 303 1HB ALA 36 3HB ALA 36 -9.559 11.879 -11.202 304 2HB ALA 36 2HB ALA 36 -10.384 12.719 -12.537 305 3HB ALA 36 1HB ALA 36 -9.367 11.297 -12.873 306 MB ALA 36 MB ALA 36 -9.770 11.965 -12.204 307 H LEU 37 H LEU 37 -12.638 12.612 -13.291 308 HA LEU 37 HA LEU 37 -13.870 14.049 -11.385 309 1HB LEU 37 1HB LEU 37 -14.552 13.264 -14.166 310 2HB LEU 37 2HB LEU 37 -15.828 13.996 -13.214 311 HG LEU 37 HG LEU 37 -14.208 15.904 -12.730 312 1HD1 LEU 37 1HD1 LEU 37 -12.618 14.389 -14.792 313 2HD1 LEU 37 2HD1 LEU 37 -12.454 16.151 -14.597 314 3HD1 LEU 37 3HD1 LEU 37 -12.090 15.066 -13.233 315 1HD2 LEU 37 1HD2 LEU 37 -15.235 15.371 -15.525 316 2HD2 LEU 37 2HD2 LEU 37 -16.032 16.271 -14.211 317 3HD2 LEU 37 3HD2 LEU 37 -14.579 16.939 -14.994 318 MD1 LEU 37 MD1 LEU 37 -12.388 15.202 -14.207 319 MD2 LEU 37 MD2 LEU 37 -15.282 16.194 -14.910 320 QB LEU 37 QB LEU 37 -15.190 13.630 -13.690 321 QD LEU 37 QD LEU 37 -13.835 15.698 -14.559 322 H ASP 38 H ASP 38 -14.833 10.800 -12.593 323 HA ASP 38 HA ASP 38 -17.206 10.765 -11.091 324 1HB ASP 38 1HB ASP 38 -15.924 9.143 -13.036 325 2HB ASP 38 2HB ASP 38 -16.055 8.118 -11.621 326 HD2 ASP 38 HD2 ASP 38 -17.564 9.044 -14.277 327 QB ASP 38 QB ASP 38 -15.989 8.630 -12.328 328 H ALA 39 H ALA 39 -13.829 9.537 -10.686 329 HA ALA 39 HA ALA 39 -14.149 7.981 -8.447 330 1HB ALA 39 2HB ALA 39 -11.713 8.737 -8.011 331 2HB ALA 39 3HB ALA 39 -12.066 7.946 -9.566 332 3HB ALA 39 1HB ALA 39 -11.893 9.716 -9.487 333 MB ALA 39 MB ALA 39 -11.891 8.800 -9.021 334 H ALA 40 H ALA 40 -13.885 11.552 -8.768 335 HA ALA 40 HA ALA 40 -13.695 12.015 -5.981 336 1HB ALA 40 3HB ALA 40 -13.880 14.314 -6.587 337 2HB ALA 40 1HB ALA 40 -13.002 13.535 -7.924 338 3HB ALA 40 2HB ALA 40 -14.729 13.926 -8.102 339 MB ALA 40 MB ALA 40 -13.870 13.925 -7.538 340 H ALA 41 H ALA 41 -16.338 11.445 -8.282 341 HA ALA 41 HA ALA 41 -18.385 12.502 -6.636 342 1HB ALA 41 2HB ALA 41 -18.828 10.322 -8.667 343 2HB ALA 41 1HB ALA 41 -18.275 11.924 -9.212 344 3HB ALA 41 3HB ALA 41 -19.809 11.767 -8.323 345 MB ALA 41 MB ALA 41 -18.971 11.338 -8.734 346 H PHE 42 H PHE 42 -17.113 9.164 -7.267 347 HA PHE 42 HA PHE 42 -18.877 7.883 -5.531 348 1HB PHE 42 1HB PHE 42 -17.498 6.744 -7.253 349 2HB PHE 42 2HB PHE 42 -16.020 7.342 -6.527 350 HD1 PHE 42 HD1 PHE 42 -18.930 5.132 -5.832 351 HD2 PHE 42 HD2 PHE 42 -14.878 6.043 -4.963 352 HE1 PHE 42 HE1 PHE 42 -18.750 3.032 -4.469 353 HE2 PHE 42 HE2 PHE 42 -14.698 3.943 -3.600 354 HZ PHE 42 HZ PHE 42 -16.636 2.462 -3.370 355 QB PHE 42 QB PHE 42 -16.759 7.043 -6.890 356 QD PHE 42 QD PHE 42 -16.904 5.587 -5.398 357 QE PHE 42 QE PHE 42 -16.724 3.487 -4.035 358 QR PHE 42 QR PHE 42 -16.814 4.537 -4.716 359 H LEU 43 H LEU 43 -15.759 9.556 -5.003 360 HA LEU 43 HA LEU 43 -15.347 8.516 -2.406 361 1HB LEU 43 1HB LEU 43 -14.244 10.875 -3.920 362 2HB LEU 43 2HB LEU 43 -13.775 10.518 -2.270 363 HG LEU 43 HG LEU 43 -13.460 8.564 -4.563 364 1HD1 LEU 43 1HD1 LEU 43 -11.735 10.811 -3.653 365 2HD1 LEU 43 2HD1 LEU 43 -10.933 9.272 -4.050 366 3HD1 LEU 43 3HD1 LEU 43 -11.939 10.092 -5.269 367 1HD2 LEU 43 1HD2 LEU 43 -12.927 8.468 -1.657 368 2HD2 LEU 43 2HD2 LEU 43 -13.259 7.159 -2.816 369 3HD2 LEU 43 3HD2 LEU 43 -11.623 7.852 -2.701 370 MD1 LEU 43 MD1 LEU 43 -11.536 10.058 -4.324 371 MD2 LEU 43 MD2 LEU 43 -12.603 7.826 -2.392 372 QB LEU 43 QB LEU 43 -14.009 10.696 -3.095 373 QD LEU 43 QD LEU 43 -12.069 8.942 -3.358 374 H LYS 44 H LYS 44 -16.821 11.548 -3.712 375 HA LYS 44 HA LYS 44 -17.295 12.789 -1.300 376 1HB LYS 44 1HB LYS 44 -18.697 12.873 -3.971 377 2HB LYS 44 2HB LYS 44 -19.249 13.844 -2.621 378 1HG LYS 44 1HG LYS 44 -16.356 14.076 -2.853 379 2HG LYS 44 2HG LYS 44 -17.089 14.405 -4.410 380 1HD LYS 44 1HD LYS 44 -18.591 15.688 -2.232 381 2HD LYS 44 2HD LYS 44 -16.910 16.182 -2.221 382 1HE LYS 44 1HE LYS 44 -17.835 17.739 -3.714 383 2HE LYS 44 2HE LYS 44 -17.239 16.518 -4.821 384 QB LYS 44 QB LYS 44 -18.973 13.359 -3.296 385 QD LYS 44 QD LYS 44 -17.751 15.935 -2.226 386 QG LYS 44 QG LYS 44 -16.723 14.241 -3.632 387 QE LYS 44 QE LYS 44 -17.537 17.128 -4.267 388 QZ LYS 44 QZ LYS 44 -19.512 16.249 -5.067 389 H LYS 45 H LYS 45 -18.680 9.880 -2.633 390 HA LYS 45 HA LYS 45 -21.100 10.038 -1.110 391 1HB LYS 45 2HB LYS 45 -21.551 7.842 -1.998 392 2HB LYS 45 1HB LYS 45 -19.885 7.636 -2.501 393 1HG LYS 45 1HG LYS 45 -20.790 10.110 -3.641 394 2HG LYS 45 2HG LYS 45 -20.345 8.637 -4.479 395 1HD LYS 45 1HD LYS 45 -23.020 8.477 -3.218 396 2HD LYS 45 2HD LYS 45 -22.904 9.763 -4.403 397 1HE LYS 45 1HE LYS 45 -22.846 8.292 -6.146 398 2HE LYS 45 2HE LYS 45 -21.616 7.307 -5.378 399 QB LYS 45 QB LYS 45 -20.718 7.739 -2.249 400 QD LYS 45 QD LYS 45 -22.962 9.120 -3.811 401 QG LYS 45 QG LYS 45 -20.568 9.374 -4.060 402 QE LYS 45 QE LYS 45 -22.231 7.800 -5.762 403 QZ LYS 45 QZ LYS 45 -23.670 6.457 -4.372 404 H SER 46 H SER 46 -17.948 9.807 -0.173 405 HA SER 46 HA SER 46 -18.049 7.589 1.535 406 1HB SER 46 2HB SER 46 -15.940 8.643 0.723 407 2HB SER 46 1HB SER 46 -15.969 8.472 2.466 408 HG SER 46 HG SER 46 -16.215 10.843 0.876 409 QB SER 46 QB SER 46 -15.955 8.557 1.594 410 H GLY 47 H GLY 47 -17.779 11.099 2.467 411 1HA GLY 47 1HA GLY 47 -20.030 11.494 3.895 412 2HA GLY 47 2HA GLY 47 -19.052 10.556 5.007 413 QA GLY 47 QA GLY 47 -19.541 11.025 4.451 414 H LEU 48 H LEU 48 -16.477 11.667 3.778 415 HA LEU 48 HA LEU 48 -16.239 13.864 5.543 416 1HB LEU 48 1HB LEU 48 -14.481 12.475 3.563 417 2HB LEU 48 2HB LEU 48 -13.994 14.040 4.182 418 HG LEU 48 HG LEU 48 -14.750 11.812 6.065 419 1HD1 LEU 48 1HD1 LEU 48 -12.078 12.219 4.703 420 2HD1 LEU 48 2HD1 LEU 48 -12.303 11.264 6.188 421 3HD1 LEU 48 3HD1 LEU 48 -13.112 10.770 4.682 422 1HD2 LEU 48 1HD2 LEU 48 -13.254 14.408 6.257 423 2HD2 LEU 48 2HD2 LEU 48 -14.565 13.769 7.277 424 3HD2 LEU 48 3HD2 LEU 48 -12.923 13.095 7.411 425 MD1 LEU 48 MD1 LEU 48 -12.498 11.417 5.191 426 MD2 LEU 48 MD2 LEU 48 -13.580 13.757 6.982 427 QB LEU 48 QB LEU 48 -14.238 13.257 3.873 428 QD LEU 48 QD LEU 48 -13.039 12.587 6.086 429 HA PRO 49 HA PRO 49 -17.190 17.161 2.927 430 1HB PRO 49 1HB PRO 49 -15.463 19.129 3.711 431 2HB PRO 49 2HB PRO 49 -16.912 18.713 4.605 432 1HG PRO 49 1HG PRO 49 -14.095 18.079 5.241 433 2HG PRO 49 2HG PRO 49 -15.492 18.055 6.300 434 1HD PRO 49 1HD PRO 49 -14.181 15.785 5.133 435 2HD PRO 49 2HD PRO 49 -15.645 15.770 6.096 436 QB PRO 49 QB PRO 49 -16.188 18.921 4.158 437 QG PRO 49 QG PRO 49 -14.793 18.067 5.770 438 QD PRO 49 QD PRO 49 -14.913 15.777 5.615 439 H ASP 50 H ASP 50 -16.492 18.781 1.240 440 HA ASP 50 HA ASP 50 -14.841 17.321 -0.515 441 1HB ASP 50 1HB ASP 50 -15.099 19.497 -1.918 442 2HB ASP 50 2HB ASP 50 -16.546 18.569 -1.574 443 HD2 ASP 50 HD2 ASP 50 -17.728 20.823 0.786 444 QB ASP 50 QB ASP 50 -15.822 19.033 -1.746 445 H LEU 51 H LEU 51 -14.530 20.127 1.684 446 HA LEU 51 HA LEU 51 -12.176 21.210 0.663 447 1HB LEU 51 1HB LEU 51 -12.952 22.686 2.120 448 2HB LEU 51 2HB LEU 51 -13.861 21.478 3.006 449 HG LEU 51 HG LEU 51 -11.952 20.919 4.364 450 1HD1 LEU 51 1HD1 LEU 51 -10.455 22.033 2.188 451 2HD1 LEU 51 2HD1 LEU 51 -10.004 22.860 3.698 452 3HD1 LEU 51 3HD1 LEU 51 -9.885 21.088 3.585 453 1HD2 LEU 51 1HD2 LEU 51 -13.250 23.394 4.388 454 2HD2 LEU 51 2HD2 LEU 51 -12.361 22.626 5.725 455 3HD2 LEU 51 3HD2 LEU 51 -11.530 23.771 4.645 456 MD1 LEU 51 MD1 LEU 51 -10.115 21.994 3.157 457 MD2 LEU 51 MD2 LEU 51 -12.380 23.264 4.920 458 QB LEU 51 QB LEU 51 -13.406 22.082 2.563 459 QD LEU 51 QD LEU 51 -11.247 22.629 4.038 460 H ILE 52 H ILE 52 -12.516 19.139 3.635 461 HA ILE 52 HA ILE 52 -9.839 18.625 3.931 462 HB ILE 52 HB ILE 52 -12.262 16.972 4.635 463 1HG1 ILE 52 1HG1 ILE 52 -11.870 19.356 5.574 464 2HG1 ILE 52 2HG1 ILE 52 -12.288 18.058 6.675 465 1HG2 ILE 52 1HG2 ILE 52 -10.302 15.516 4.523 466 2HG2 ILE 52 2HG2 ILE 52 -9.406 16.626 5.588 467 3HG2 ILE 52 3HG2 ILE 52 -10.832 15.759 6.205 468 1HD1 ILE 52 1HD1 ILE 52 -9.381 18.714 6.090 469 2HD1 ILE 52 2HD1 ILE 52 -10.300 19.608 7.324 470 3HD1 ILE 52 3HD1 ILE 52 -10.063 17.851 7.489 471 MG ILE 52 MG ILE 52 -10.180 15.967 5.438 472 MD ILE 52 MD ILE 52 -9.915 18.724 6.968 473 QG ILE 52 QG ILE 52 -12.079 18.707 6.125 474 H LEU 53 H LEU 53 -12.254 17.072 1.787 475 HA LEU 53 HA LEU 53 -10.661 14.898 1.044 476 1HB LEU 53 1HB LEU 53 -13.113 16.241 0.084 477 2HB LEU 53 2HB LEU 53 -12.240 15.308 -1.115 478 HG LEU 53 HG LEU 53 -13.209 14.236 1.550 479 1HD1 LEU 53 1HD1 LEU 53 -15.007 14.879 -0.100 480 2HD1 LEU 53 2HD1 LEU 53 -14.345 13.636 -1.188 481 3HD1 LEU 53 3HD1 LEU 53 -14.993 13.172 0.403 482 1HD2 LEU 53 1HD2 LEU 53 -11.200 13.258 -0.143 483 2HD2 LEU 53 2HD2 LEU 53 -12.011 12.402 1.190 484 3HD2 LEU 53 3HD2 LEU 53 -12.630 12.251 -0.472 485 MD1 LEU 53 MD1 LEU 53 -14.782 13.896 -0.295 486 MD2 LEU 53 MD2 LEU 53 -11.947 12.637 0.192 487 QB LEU 53 QB LEU 53 -12.677 15.774 -0.516 488 QD LEU 53 QD LEU 53 -13.364 13.266 -0.051 489 H GLY 54 H GLY 54 -11.125 18.173 -0.436 490 1HA GLY 54 1HA GLY 54 -9.676 18.050 -2.684 491 2HA GLY 54 2HA GLY 54 -9.626 19.421 -1.594 492 QA GLY 54 QA GLY 54 -9.651 18.735 -2.139 493 H LYS 55 H LYS 55 -8.291 18.383 0.658 494 HA LYS 55 HA LYS 55 -5.638 18.579 -0.152 495 1HB LYS 55 1HB LYS 55 -7.031 17.798 2.396 496 2HB LYS 55 2HB LYS 55 -5.293 17.619 2.266 497 1HG LYS 55 1HG LYS 55 -5.506 20.131 1.265 498 2HG LYS 55 2HG LYS 55 -6.952 20.127 2.255 499 1HD LYS 55 1HD LYS 55 -5.739 20.343 4.161 500 2HD LYS 55 2HD LYS 55 -4.749 18.955 3.757 501 1HE LYS 55 1HE LYS 55 -3.330 20.396 2.279 502 2HE LYS 55 2HE LYS 55 -4.320 21.785 2.683 503 QB LYS 55 QB LYS 55 -6.162 17.708 2.331 504 QD LYS 55 QD LYS 55 -5.244 19.649 3.959 505 QG LYS 55 QG LYS 55 -6.229 20.129 1.760 506 QE LYS 55 QE LYS 55 -3.825 21.090 2.481 507 QZ LYS 55 QZ LYS 55 -2.582 20.849 4.410 508 H ILE 56 H ILE 56 -7.688 15.716 0.655 509 HA ILE 56 HA ILE 56 -5.685 13.812 0.477 510 HB ILE 56 HB ILE 56 -8.648 13.679 -0.063 511 1HG1 ILE 56 1HG1 ILE 56 -6.939 13.049 2.357 512 2HG1 ILE 56 2HG1 ILE 56 -8.143 14.313 2.204 513 1HG2 ILE 56 1HG2 ILE 56 -6.669 11.744 -0.728 514 2HG2 ILE 56 2HG2 ILE 56 -7.583 11.139 0.674 515 3HG2 ILE 56 3HG2 ILE 56 -8.441 11.605 -0.814 516 1HD1 ILE 56 1HD1 ILE 56 -9.801 12.340 1.643 517 2HD1 ILE 56 2HD1 ILE 56 -8.556 11.320 2.404 518 3HD1 ILE 56 3HD1 ILE 56 -9.330 12.624 3.336 519 MG ILE 56 MG ILE 56 -7.564 11.496 -0.290 520 MD ILE 56 MD ILE 56 -9.229 12.095 2.461 521 QG ILE 56 QG ILE 56 -7.541 13.681 2.280 522 H TRP 57 H TRP 57 -7.907 15.110 -2.075 523 HA TRP 57 HA TRP 57 -7.002 13.530 -4.150 524 1HB TRP 57 1HB TRP 57 -8.995 15.088 -4.071 525 2HB TRP 57 2HB TRP 57 -7.886 16.406 -4.395 526 HD1 TRP 57 HD1 TRP 57 -6.505 16.177 -6.865 527 HE1 TRP 57 HE1 TRP 57 -7.280 15.254 -9.213 528 HE3 TRP 57 HE3 TRP 57 -10.416 13.455 -5.092 529 HZ2 TRP 57 HZ2 TRP 57 -9.394 13.528 -10.046 530 HZ3 TRP 57 HZ3 TRP 57 -11.786 12.180 -6.739 531 HH2 TRP 57 HH2 TRP 57 -11.328 12.187 -9.140 532 QB TRP 57 QB TRP 57 -8.440 15.747 -4.233 533 H ASP 58 H ASP 58 -5.974 16.908 -3.247 534 HA ASP 58 HA ASP 58 -4.015 17.239 -5.032 535 1HB ASP 58 1HB ASP 58 -4.869 18.693 -2.972 536 2HB ASP 58 2HB ASP 58 -3.502 17.980 -2.138 537 HD2 ASP 58 HD2 ASP 58 -3.151 20.388 -5.258 538 QB ASP 58 QB ASP 58 -4.185 18.336 -2.555 539 H LEU 59 H LEU 59 -3.949 15.392 -1.935 540 HA LEU 59 HA LEU 59 -1.153 14.845 -2.084 541 1HB LEU 59 1HB LEU 59 -2.214 14.997 0.048 542 2HB LEU 59 2HB LEU 59 -3.406 13.786 -0.382 543 HG LEU 59 HG LEU 59 -1.442 13.142 1.173 544 1HD1 LEU 59 1HD1 LEU 59 -2.976 11.689 -0.749 545 2HD1 LEU 59 2HD1 LEU 59 -1.348 10.975 -0.663 546 3HD1 LEU 59 3HD1 LEU 59 -2.325 11.142 0.815 547 1HD2 LEU 59 1HD2 LEU 59 0.144 14.107 -0.773 548 2HD2 LEU 59 2HD2 LEU 59 0.653 12.848 0.378 549 3HD2 LEU 59 3HD2 LEU 59 0.095 12.393 -1.251 550 MD1 LEU 59 MD1 LEU 59 -2.216 11.269 -0.199 551 MD2 LEU 59 MD2 LEU 59 0.297 13.116 -0.549 552 QB LEU 59 QB LEU 59 -2.810 14.391 -0.167 553 QD LEU 59 QD LEU 59 -0.960 12.192 -0.374 554 H ALA 60 H ALA 60 -4.158 13.375 -3.270 555 HA ALA 60 HA ALA 60 -2.923 10.860 -3.853 556 1HB ALA 60 2HB ALA 60 -5.134 10.594 -5.158 557 2HB ALA 60 1HB ALA 60 -5.580 12.178 -4.481 558 3HB ALA 60 3HB ALA 60 -5.248 10.807 -3.394 559 MB ALA 60 MB ALA 60 -5.321 11.193 -4.344 560 H ASP 61 H ASP 61 -4.452 13.344 -6.027 561 HA ASP 61 HA ASP 61 -3.611 12.542 -8.364 562 1HB ASP 61 1HB ASP 61 -4.833 14.612 -8.169 563 2HB ASP 61 2HB ASP 61 -3.568 15.357 -7.211 564 HD2 ASP 61 HD2 ASP 61 -2.620 14.685 -11.008 565 QB ASP 61 QB ASP 61 -4.200 14.984 -7.690 566 H THR 62 H THR 62 -1.636 12.175 -9.424 567 HA THR 62 HA THR 62 0.709 13.672 -8.717 568 HB THR 62 HB THR 62 0.334 10.759 -7.888 569 HG1 THR 62 HG1 THR 62 0.413 11.857 -5.967 570 1HG2 THR 62 1HG2 THR 62 2.801 12.175 -8.798 571 2HG2 THR 62 2HG2 THR 62 2.920 11.439 -7.182 572 3HG2 THR 62 3HG2 THR 62 2.512 10.431 -8.591 573 MG THR 62 MG THR 62 2.744 11.348 -8.191 574 H ASP 63 H ASP 63 -0.730 10.835 -10.410 575 HA ASP 63 HA ASP 63 1.130 10.319 -12.226 576 1HB ASP 63 1HB ASP 63 -1.263 9.382 -11.996 577 2HB ASP 63 2HB ASP 63 -1.796 10.729 -12.983 578 HD2 ASP 63 HD2 ASP 63 -0.063 7.535 -14.518 579 QB ASP 63 QB ASP 63 -1.530 10.055 -12.489 580 H GLY 64 H GLY 64 -1.342 12.979 -12.347 581 1HA GLY 64 1HA GLY 64 -0.265 15.115 -13.172 582 2HA GLY 64 2HA GLY 64 0.128 14.188 -14.606 583 QA GLY 64 QA GLY 64 -0.068 14.651 -13.889 584 H LYS 65 H LYS 65 -1.930 12.841 -15.480 585 HA LYS 65 HA LYS 65 -3.839 14.839 -16.155 586 1HB LYS 65 1HB LYS 65 -2.978 12.269 -17.136 587 2HB LYS 65 2HB LYS 65 -4.725 12.282 -17.000 588 1HG LYS 65 1HG LYS 65 -4.961 14.138 -18.468 589 2HG LYS 65 2HG LYS 65 -3.302 14.655 -18.241 590 1HD LYS 65 1HD LYS 65 -2.964 12.091 -19.266 591 2HD LYS 65 2HD LYS 65 -4.407 12.624 -20.104 592 1HE LYS 65 1HE LYS 65 -3.119 14.803 -20.650 593 2HE LYS 65 2HE LYS 65 -1.680 13.988 -20.071 594 QB LYS 65 QB LYS 65 -3.852 12.276 -17.068 595 QD LYS 65 QD LYS 65 -3.686 12.357 -19.685 596 QG LYS 65 QG LYS 65 -4.131 14.397 -18.354 597 QE LYS 65 QE LYS 65 -2.400 14.395 -20.361 598 QZ LYS 65 QZ LYS 65 -2.283 13.372 -22.341 599 H GLY 66 H GLY 66 -5.990 15.058 -15.516 600 1HA GLY 66 1HA GLY 66 -6.766 14.690 -12.990 601 2HA GLY 66 2HA GLY 66 -7.886 14.637 -14.336 602 QA GLY 66 QA GLY 66 -7.326 14.663 -13.663 603 H VAL 67 H VAL 67 -7.121 12.228 -15.632 604 HA VAL 67 HA VAL 67 -8.603 10.344 -14.453 605 HB VAL 67 HB VAL 67 -6.011 9.789 -15.906 606 1HG1 VAL 67 1HG1 VAL 67 -7.626 7.960 -14.796 607 2HG1 VAL 67 2HG1 VAL 67 -8.493 8.189 -16.333 608 3HG1 VAL 67 3HG1 VAL 67 -6.786 7.686 -16.341 609 1HG2 VAL 67 1HG2 VAL 67 -8.539 11.039 -16.822 610 2HG2 VAL 67 2HG2 VAL 67 -6.891 11.153 -17.486 611 3HG2 VAL 67 3HG2 VAL 67 -7.903 9.735 -17.853 612 MG1 VAL 67 MG1 VAL 67 -7.635 7.945 -15.824 613 MG2 VAL 67 MG2 VAL 67 -7.778 10.642 -17.387 614 QG VAL 67 QG VAL 67 -7.706 9.294 -16.605 615 H LEU 68 H LEU 68 -8.279 8.525 -13.049 616 HA LEU 68 HA LEU 68 -6.138 9.029 -11.121 617 1HB LEU 68 1HB LEU 68 -8.768 7.564 -10.918 618 2HB LEU 68 2HB LEU 68 -7.542 7.524 -9.667 619 HG LEU 68 HG LEU 68 -9.170 9.886 -10.609 620 1HD1 LEU 68 1HD1 LEU 68 -9.949 8.157 -8.832 621 2HD1 LEU 68 2HD1 LEU 68 -8.791 8.989 -7.766 622 3HD1 LEU 68 3HD1 LEU 68 -10.133 9.897 -8.505 623 1HD2 LEU 68 1HD2 LEU 68 -6.547 9.863 -9.164 624 2HD2 LEU 68 2HD2 LEU 68 -7.163 10.983 -10.403 625 3HD2 LEU 68 3HD2 LEU 68 -7.773 11.080 -8.733 626 MD1 LEU 68 MD1 LEU 68 -9.624 9.014 -8.368 627 MD2 LEU 68 MD2 LEU 68 -7.161 10.642 -9.433 628 QB LEU 68 QB LEU 68 -8.155 7.544 -10.293 629 QD LEU 68 QD LEU 68 -8.393 9.828 -8.900 630 H SER 69 H SER 69 -5.331 6.886 -10.022 631 HA SER 69 HA SER 69 -4.978 4.914 -12.139 632 1HB SER 69 2HB SER 69 -2.645 4.695 -11.631 633 2HB SER 69 1HB SER 69 -2.795 5.611 -10.145 634 HG SER 69 HG SER 69 -2.904 6.581 -12.859 635 QB SER 69 QB SER 69 -2.720 5.153 -10.888 636 H LYS 70 H LYS 70 -3.748 2.860 -10.917 637 HA LYS 70 HA LYS 70 -5.683 1.731 -9.310 638 1HB LYS 70 1HB LYS 70 -3.716 0.130 -8.720 639 2HB LYS 70 2HB LYS 70 -4.315 0.206 -10.364 640 1HG LYS 70 1HG LYS 70 -2.184 2.194 -9.755 641 2HG LYS 70 2HG LYS 70 -1.663 0.525 -9.629 642 1HD LYS 70 1HD LYS 70 -1.718 0.228 -11.888 643 2HD LYS 70 2HD LYS 70 -3.313 0.939 -12.024 644 1HE LYS 70 1HE LYS 70 -2.456 2.914 -12.753 645 2HE LYS 70 2HE LYS 70 -1.366 3.016 -11.384 646 QB LYS 70 QB LYS 70 -4.015 0.168 -9.542 647 QD LYS 70 QD LYS 70 -2.516 0.583 -11.956 648 QG LYS 70 QG LYS 70 -1.923 1.360 -9.692 649 QE LYS 70 QE LYS 70 -1.911 2.965 -12.068 650 QZ LYS 70 QZ LYS 70 -0.112 2.384 -13.263 651 H GLN 71 H GLN 71 -2.461 1.784 -7.838 652 HA GLN 71 HA GLN 71 -3.214 1.983 -5.323 653 1HB GLN 71 1HB GLN 71 -0.800 2.294 -6.736 654 2HB GLN 71 2HB GLN 71 -0.904 3.747 -5.761 655 1HG GLN 71 1HG GLN 71 -1.719 1.500 -4.127 656 2HG GLN 71 2HG GLN 71 -0.208 1.087 -4.913 657 2HE2 GLN 71 1HE2 GLN 71 -0.317 1.363 -2.221 658 1HE2 GLN 71 2HE2 GLN 71 0.540 2.773 -1.693 659 QB GLN 71 QB GLN 71 -0.852 3.020 -6.248 660 QG GLN 71 QG GLN 71 -0.964 1.293 -4.520 661 QE GLN 71 QE GLN 71 0.112 2.068 -1.957 662 H GLU 72 H GLU 72 -2.636 4.837 -7.489 663 HA GLU 72 HA GLU 72 -2.967 6.853 -5.794 664 1HB GLU 72 1HB GLU 72 -3.963 6.477 -8.632 665 2HB GLU 72 2HB GLU 72 -4.242 7.991 -7.794 666 1HG GLU 72 1HG GLU 72 -2.106 7.900 -9.193 667 2HG GLU 72 2HG GLU 72 -1.888 8.411 -7.531 668 HE2 GLU 72 HE2 GLU 72 0.053 5.823 -6.633 669 QB GLU 72 QB GLU 72 -4.103 7.234 -8.213 670 QG GLU 72 QG GLU 72 -1.997 8.156 -8.362 671 H PHE 73 H PHE 73 -5.801 5.563 -7.686 672 HA PHE 73 HA PHE 73 -7.704 6.835 -6.122 673 1HB PHE 73 1HB PHE 73 -8.227 5.928 -8.328 674 2HB PHE 73 2HB PHE 73 -7.590 4.351 -7.908 675 HD1 PHE 73 HD1 PHE 73 -8.916 2.780 -6.601 676 HD2 PHE 73 HD2 PHE 73 -10.462 6.592 -7.642 677 HE1 PHE 73 HE1 PHE 73 -11.226 2.007 -5.998 678 HE2 PHE 73 HE2 PHE 73 -12.773 5.819 -7.039 679 HZ PHE 73 HZ PHE 73 -13.127 3.536 -6.224 680 QB PHE 73 QB PHE 73 -7.908 5.139 -8.118 681 QD PHE 73 QD PHE 73 -9.689 4.686 -7.122 682 QE PHE 73 QE PHE 73 -12.000 3.913 -6.519 683 QR PHE 73 QR PHE 73 -10.844 4.299 -6.820 684 H PHE 74 H PHE 74 -6.093 3.647 -5.785 685 HA PHE 74 HA PHE 74 -7.851 2.645 -3.837 686 1HB PHE 74 1HB PHE 74 -5.190 2.100 -5.084 687 2HB PHE 74 2HB PHE 74 -5.280 1.539 -3.426 688 HD1 PHE 74 HD1 PHE 74 -7.374 1.448 -6.524 689 HD2 PHE 74 HD2 PHE 74 -5.974 -0.629 -3.098 690 HE1 PHE 74 HE1 PHE 74 -8.571 -0.621 -7.290 691 HE2 PHE 74 HE2 PHE 74 -7.170 -2.699 -3.864 692 HZ PHE 74 HZ PHE 74 -8.454 -2.670 -5.951 693 QB PHE 74 QB PHE 74 -5.235 1.819 -4.255 694 QD PHE 74 QD PHE 74 -6.674 0.409 -4.811 695 QE PHE 74 QE PHE 74 -7.871 -1.660 -5.577 696 QR PHE 74 QR PHE 74 -7.272 -0.625 -5.194 697 H VAL 75 H VAL 75 -5.427 5.128 -3.740 698 HA VAL 75 HA VAL 75 -4.868 4.744 -0.928 699 HB VAL 75 HB VAL 75 -3.876 6.445 -3.158 700 1HG1 VAL 75 1HG1 VAL 75 -3.833 7.271 -0.249 701 2HG1 VAL 75 2HG1 VAL 75 -2.589 7.809 -1.402 702 3HG1 VAL 75 3HG1 VAL 75 -4.297 8.228 -1.677 703 1HG2 VAL 75 1HG2 VAL 75 -2.870 4.240 -2.259 704 2HG2 VAL 75 2HG2 VAL 75 -1.772 5.611 -2.545 705 3HG2 VAL 75 3HG2 VAL 75 -2.300 5.224 -0.890 706 MG1 VAL 75 MG1 VAL 75 -3.573 7.770 -1.110 707 MG2 VAL 75 MG2 VAL 75 -2.314 5.025 -1.898 708 QG VAL 75 QG VAL 75 -2.943 6.397 -1.504 709 H ALA 76 H ALA 76 -6.095 7.527 -2.928 710 HA ALA 76 HA ALA 76 -7.057 9.068 -0.933 711 1HB ALA 76 2HB ALA 76 -8.860 8.830 -3.276 712 2HB ALA 76 1HB ALA 76 -7.142 9.072 -3.671 713 3HB ALA 76 3HB ALA 76 -7.992 10.247 -2.639 714 MB ALA 76 MB ALA 76 -7.998 9.383 -3.196 715 H LEU 77 H LEU 77 -8.302 5.958 -2.064 716 HA LEU 77 HA LEU 77 -10.902 6.185 -1.063 717 1HB LEU 77 1HB LEU 77 -9.278 4.254 -2.346 718 2HB LEU 77 2HB LEU 77 -9.911 3.498 -0.897 719 HG LEU 77 HG LEU 77 -11.548 4.808 -3.085 720 1HD1 LEU 77 1HD1 LEU 77 -10.344 2.336 -3.120 721 2HD1 LEU 77 2HD1 LEU 77 -11.977 1.966 -2.515 722 3HD1 LEU 77 3HD1 LEU 77 -11.774 2.814 -4.066 723 1HD2 LEU 77 1HD2 LEU 77 -12.578 5.106 -0.873 724 2HD2 LEU 77 2HD2 LEU 77 -13.519 4.005 -1.908 725 3HD2 LEU 77 3HD2 LEU 77 -12.500 3.348 -0.605 726 MD1 LEU 77 MD1 LEU 77 -11.365 2.372 -3.234 727 MD2 LEU 77 MD2 LEU 77 -12.866 4.153 -1.129 728 QB LEU 77 QB LEU 77 -9.594 3.876 -1.621 729 QD LEU 77 QD LEU 77 -12.115 3.263 -2.181 730 H ARG 78 H ARG 78 -8.386 4.023 0.384 731 HA ARG 78 HA ARG 78 -9.578 3.903 2.812 732 1HB ARG 78 1HB ARG 78 -6.669 3.634 1.952 733 2HB ARG 78 2HB ARG 78 -7.126 3.396 3.627 734 1HG ARG 78 1HG ARG 78 -8.155 1.835 1.215 735 2HG ARG 78 2HG ARG 78 -7.124 1.227 2.494 736 1HD ARG 78 1HD ARG 78 -9.112 0.483 3.385 737 2HD ARG 78 2HD ARG 78 -9.215 2.117 4.010 738 HE ARG 78 HE ARG 78 -10.367 2.460 1.578 739 1HH1 ARG 78 1HH1 ARG 78 -10.865 -0.085 3.992 740 2HH1 ARG 78 2HH1 ARG 78 -12.510 -0.372 3.532 741 2HH2 ARG 78 HH2 ARG 78 -13.472 0.914 1.753 742 QB ARG 78 QB ARG 78 -6.898 3.515 2.790 743 QG ARG 78 QG ARG 78 -7.639 1.531 1.855 744 QD ARG 78 QD ARG 78 -9.164 1.300 3.697 745 QH1 ARG 78 QH1 ARG 78 -11.687 -0.229 3.762 746 H LEU 79 H LEU 79 -7.259 6.315 1.506 747 HA LEU 79 HA LEU 79 -6.472 7.578 3.793 748 1HB LEU 79 1HB LEU 79 -6.027 7.933 1.195 749 2HB LEU 79 2HB LEU 79 -7.187 9.227 1.418 750 HG LEU 79 HG LEU 79 -4.681 8.927 3.090 751 1HD1 LEU 79 1HD1 LEU 79 -4.990 9.856 0.355 752 2HD1 LEU 79 2HD1 LEU 79 -4.355 11.134 1.420 753 3HD1 LEU 79 3HD1 LEU 79 -3.515 9.568 1.309 754 1HD2 LEU 79 1HD2 LEU 79 -6.992 10.547 3.378 755 2HD2 LEU 79 2HD2 LEU 79 -5.484 10.585 4.322 756 3HD2 LEU 79 3HD2 LEU 79 -5.655 11.609 2.877 757 MD1 LEU 79 MD1 LEU 79 -4.287 10.186 1.028 758 MD2 LEU 79 MD2 LEU 79 -6.044 10.913 3.526 759 QB LEU 79 QB LEU 79 -6.607 8.580 1.307 760 QD LEU 79 QD LEU 79 -5.165 10.550 2.277 761 H VAL 80 H VAL 80 -9.545 7.972 1.943 762 HA VAL 80 HA VAL 80 -10.555 10.111 3.371 763 HB VAL 80 HB VAL 80 -11.911 7.771 2.024 764 1HG1 VAL 80 1HG1 VAL 80 -13.321 9.009 3.762 765 2HG1 VAL 80 2HG1 VAL 80 -13.216 10.420 2.682 766 3HG1 VAL 80 3HG1 VAL 80 -13.977 8.916 2.110 767 1HG2 VAL 80 1HG2 VAL 80 -10.431 9.906 0.972 768 2HG2 VAL 80 2HG2 VAL 80 -11.524 8.815 0.087 769 3HG2 VAL 80 3HG2 VAL 80 -12.135 10.360 0.725 770 MG1 VAL 80 MG1 VAL 80 -13.505 9.448 2.851 771 MG2 VAL 80 MG2 VAL 80 -11.363 9.694 0.595 772 QG VAL 80 QG VAL 80 -12.434 9.571 1.723 773 H ALA 81 H ALA 81 -10.477 6.602 4.111 774 HA ALA 81 HA ALA 81 -12.243 6.724 6.292 775 1HB ALA 81 1HB ALA 81 -11.220 4.730 4.874 776 2HB ALA 81 3HB ALA 81 -11.682 4.489 6.576 777 3HB ALA 81 2HB ALA 81 -9.975 4.751 6.146 778 MB ALA 81 MB ALA 81 -10.959 4.657 5.865 779 H CYS 82 H CYS 82 -9.121 8.055 5.806 780 HA CYS 82 HA CYS 82 -8.146 7.713 8.445 781 1HB CYS 82 1HB CYS 82 -6.796 8.196 6.308 782 2HB CYS 82 2HB CYS 82 -7.278 9.869 6.508 783 HG CYS 82 HG CYS 82 -5.430 8.147 8.262 784 QB CYS 82 QB CYS 82 -7.037 9.033 6.408 785 H ALA 83 H ALA 83 -8.981 10.792 6.692 786 HA ALA 83 HA ALA 83 -9.349 12.328 8.930 787 1HB ALA 83 2HB ALA 83 -11.123 12.833 6.582 788 2HB ALA 83 1HB ALA 83 -9.375 12.747 6.261 789 3HB ALA 83 3HB ALA 83 -10.008 13.930 7.430 790 MB ALA 83 MB ALA 83 -10.169 13.170 6.758 791 H GLN 84 H GLN 84 -11.402 9.818 7.557 792 HA GLN 84 HA GLN 84 -13.849 10.607 8.455 793 1HB GLN 84 1HB GLN 84 -12.544 7.933 7.969 794 2HB GLN 84 2HB GLN 84 -14.120 7.958 8.735 795 1HG GLN 84 1HG GLN 84 -14.025 9.790 6.438 796 2HG GLN 84 2HG GLN 84 -13.586 8.160 5.968 797 2HE2 GLN 84 1HE2 GLN 84 -15.759 8.984 4.849 798 1HE2 GLN 84 2HE2 GLN 84 -17.207 8.341 5.548 799 QB GLN 84 QB GLN 84 -13.332 7.945 8.352 800 QG GLN 84 QG GLN 84 -13.805 8.975 6.203 801 QE GLN 84 QE GLN 84 -16.483 8.662 5.198 802 H ASN 85 H ASN 85 -11.059 9.358 10.253 803 HA ASN 85 HA ASN 85 -12.730 9.241 12.632 804 1HB ASN 85 1HB ASN 85 -11.015 7.334 11.745 805 2HB ASN 85 2HB ASN 85 -9.854 8.308 12.626 806 2HD2 ASN 85 1HD2 ASN 85 -9.612 7.954 14.698 807 1HD2 ASN 85 2HD2 ASN 85 -10.710 7.129 15.754 808 QB ASN 85 QB ASN 85 -10.435 7.821 12.186 809 QD ASN 85 QD ASN 85 -10.161 7.542 15.226 810 H GLY 86 H GLY 86 -11.484 11.655 11.141 811 1HA GLY 86 1HA GLY 86 -10.649 13.651 11.778 812 2HA GLY 86 2HA GLY 86 -10.589 13.081 13.434 813 QA GLY 86 QA GLY 86 -10.619 13.366 12.606 814 H LEU 87 H LEU 87 -9.014 10.945 11.195 815 HA LEU 87 HA LEU 87 -6.477 11.568 12.370 816 1HB LEU 87 1HB LEU 87 -7.394 9.545 10.329 817 2HB LEU 87 2HB LEU 87 -5.724 9.705 10.838 818 HG LEU 87 HG LEU 87 -7.997 9.148 12.759 819 1HD1 LEU 87 1HD1 LEU 87 -7.506 7.409 10.857 820 2HD1 LEU 87 2HD1 LEU 87 -6.092 7.015 11.864 821 3HD1 LEU 87 3HD1 LEU 87 -7.732 6.875 12.540 822 1HD2 LEU 87 1HD2 LEU 87 -5.366 9.960 13.212 823 2HD2 LEU 87 2HD2 LEU 87 -6.496 9.257 14.393 824 3HD2 LEU 87 3HD2 LEU 87 -5.360 8.206 13.515 825 MD1 LEU 87 MD1 LEU 87 -7.110 7.100 11.754 826 MD2 LEU 87 MD2 LEU 87 -5.741 9.141 13.707 827 QB LEU 87 QB LEU 87 -6.559 9.625 10.584 828 QD LEU 87 QD LEU 87 -6.425 8.121 12.730 829 H GLU 88 H GLU 88 -4.497 11.910 10.974 830 HA GLU 88 HA GLU 88 -4.615 14.232 9.672 831 1HB GLU 88 1HB GLU 88 -2.619 12.543 10.289 832 2HB GLU 88 2HB GLU 88 -2.711 12.172 8.579 833 1HG GLU 88 1HG GLU 88 -1.674 14.115 8.030 834 2HG GLU 88 2HG GLU 88 -2.839 15.057 8.939 835 HE2 GLU 88 HE2 GLU 88 0.216 15.791 9.713 836 QB GLU 88 QB GLU 88 -2.665 12.358 9.434 837 QG GLU 88 QG GLU 88 -2.257 14.586 8.484 838 H VAL 89 H VAL 89 -4.128 14.680 7.236 839 HA VAL 89 HA VAL 89 -5.942 12.990 5.657 840 HB VAL 89 HB VAL 89 -5.293 15.829 4.967 841 1HG1 VAL 89 1HG1 VAL 89 -7.240 13.771 4.192 842 2HG1 VAL 89 2HG1 VAL 89 -7.975 15.360 4.512 843 3HG1 VAL 89 3HG1 VAL 89 -6.673 15.208 3.307 844 1HG2 VAL 89 1HG2 VAL 89 -6.814 14.921 7.343 845 2HG2 VAL 89 2HG2 VAL 89 -6.012 16.475 7.014 846 3HG2 VAL 89 3HG2 VAL 89 -7.622 16.143 6.332 847 MG1 VAL 89 MG1 VAL 89 -7.296 14.780 4.003 848 MG2 VAL 89 MG2 VAL 89 -6.816 15.846 6.896 849 QG VAL 89 QG VAL 89 -7.056 15.313 5.450 850 H SER 90 H SER 90 -2.704 13.982 6.198 851 HA SER 90 HA SER 90 -1.995 13.622 3.422 852 1HB SER 90 1HB SER 90 -0.314 14.359 5.860 853 2HB SER 90 2HB SER 90 0.312 14.245 4.227 854 HG SER 90 HG SER 90 -1.366 16.216 5.394 855 QB SER 90 QB SER 90 -0.001 14.302 5.043 856 H LEU 91 H LEU 91 -0.422 11.980 2.752 857 HA LEU 91 HA LEU 91 -0.861 9.494 3.968 858 1HB LEU 91 1HB LEU 91 0.646 10.587 1.693 859 2HB LEU 91 2HB LEU 91 1.350 9.144 2.396 860 HG LEU 91 HG LEU 91 -1.515 9.372 1.432 861 1HD1 LEU 91 1HD1 LEU 91 0.595 9.418 -0.220 862 2HD1 LEU 91 2HD1 LEU 91 0.452 7.658 0.010 863 3HD1 LEU 91 3HD1 LEU 91 -0.931 8.590 -0.612 864 1HD2 LEU 91 1HD2 LEU 91 -0.189 7.437 3.092 865 2HD2 LEU 91 2HD2 LEU 91 -1.883 7.494 2.551 866 3HD2 LEU 91 3HD2 LEU 91 -0.656 6.684 1.548 867 MD1 LEU 91 MD1 LEU 91 0.039 8.555 -0.274 868 MD2 LEU 91 MD2 LEU 91 -0.909 7.205 2.397 869 QB LEU 91 QB LEU 91 0.998 9.866 2.045 870 QD LEU 91 QD LEU 91 -0.435 7.880 1.061 871 H SER 92 H SER 92 1.355 12.107 4.639 872 HA SER 92 HA SER 92 3.464 10.673 5.676 873 1HB SER 92 1HB SER 92 2.334 13.429 6.264 874 2HB SER 92 2HB SER 92 3.739 12.835 7.127 875 HG SER 92 HG SER 92 3.510 13.034 4.244 876 QB SER 92 QB SER 92 3.037 13.132 6.696 877 H SER 93 H SER 93 0.199 10.920 6.750 878 HA SER 93 HA SER 93 1.025 9.886 9.348 879 1HB SER 93 1HB SER 93 -0.720 12.153 8.706 880 2HB SER 93 2HB SER 93 -1.566 10.963 9.675 881 HG SER 93 HG SER 93 -0.496 11.694 11.367 882 QB SER 93 QB SER 93 -1.143 11.558 9.191 883 H LEU 94 H LEU 94 0.505 8.416 6.859 884 HA LEU 94 HA LEU 94 -2.035 7.116 7.560 885 1HB LEU 94 1HB LEU 94 -0.732 7.787 4.982 886 2HB LEU 94 2HB LEU 94 -1.528 6.228 5.071 887 HG LEU 94 HG LEU 94 -2.980 7.979 4.143 888 1HD1 LEU 94 1HD1 LEU 94 -3.864 6.849 6.811 889 2HD1 LEU 94 2HD1 LEU 94 -4.952 7.587 5.610 890 3HD1 LEU 94 3HD1 LEU 94 -4.050 6.107 5.204 891 1HD2 LEU 94 1HD2 LEU 94 -2.015 9.481 6.421 892 2HD2 LEU 94 2HD2 LEU 94 -2.873 10.039 4.964 893 3HD2 LEU 94 3HD2 LEU 94 -3.794 9.461 6.374 894 MD1 LEU 94 MD1 LEU 94 -4.288 6.848 5.875 895 MD2 LEU 94 MD2 LEU 94 -2.894 9.660 5.919 896 QB LEU 94 QB LEU 94 -1.130 7.007 5.027 897 QD LEU 94 QD LEU 94 -3.591 8.254 5.897 898 H SER 95 H SER 95 -1.836 4.667 6.499 899 HA SER 95 HA SER 95 -0.839 2.716 6.537 900 1HB SER 95 2HB SER 95 1.356 4.236 6.133 901 2HB SER 95 1HB SER 95 1.442 2.502 6.374 902 HG SER 95 HG SER 95 2.612 2.878 8.116 903 QB SER 95 QB SER 95 1.399 3.369 6.254 904 H LEU 96 H LEU 96 -2.255 4.124 8.778 905 HA LEU 96 HA LEU 96 -1.079 2.668 11.041 906 1HB LEU 96 1HB LEU 96 -3.085 4.852 11.385 907 2HB LEU 96 2HB LEU 96 -1.836 4.292 12.480 908 HG LEU 96 HG LEU 96 -1.014 5.615 9.918 909 1HD1 LEU 96 1HD1 LEU 96 -2.760 7.086 10.779 910 2HD1 LEU 96 2HD1 LEU 96 -1.966 7.118 12.371 911 3HD1 LEU 96 3HD1 LEU 96 -1.152 7.828 10.957 912 1HD2 LEU 96 1HD2 LEU 96 0.335 4.590 12.124 913 2HD2 LEU 96 2HD2 LEU 96 1.002 5.648 10.858 914 3HD2 LEU 96 3HD2 LEU 96 0.372 6.353 12.366 915 MD1 LEU 96 MD1 LEU 96 -1.959 7.344 11.369 916 MD2 LEU 96 MD2 LEU 96 0.570 5.530 11.783 917 QB LEU 96 QB LEU 96 -2.461 4.572 11.932 918 QD LEU 96 QD LEU 96 -0.695 6.437 11.576 919 H ALA 97 H ALA 97 -3.491 2.845 12.651 920 HA ALA 97 HA ALA 97 -4.999 0.749 11.285 921 1HB ALA 97 2HB ALA 97 -5.629 1.357 14.100 922 2HB ALA 97 3HB ALA 97 -5.209 -0.193 13.332 923 3HB ALA 97 1HB ALA 97 -3.922 0.933 13.827 924 MB ALA 97 MB ALA 97 -4.920 0.699 13.753 925 H VAL 98 H VAL 98 -5.887 2.567 9.856 926 HA VAL 98 HA VAL 98 -7.688 4.393 11.133 927 HB VAL 98 HB VAL 98 -8.135 5.159 8.911 928 1HG1 VAL 98 1HG1 VAL 98 -5.982 5.812 9.941 929 2HG1 VAL 98 2HG1 VAL 98 -5.194 4.436 9.133 930 3HG1 VAL 98 3HG1 VAL 98 -5.893 5.755 8.164 931 1HG2 VAL 98 1HG2 VAL 98 -7.625 2.461 8.167 932 2HG2 VAL 98 2HG2 VAL 98 -8.198 3.801 7.145 933 3HG2 VAL 98 3HG2 VAL 98 -6.453 3.483 7.301 934 MG1 VAL 98 MG1 VAL 98 -5.690 5.334 9.079 935 MG2 VAL 98 MG2 VAL 98 -7.425 3.249 7.538 936 QG VAL 98 QG VAL 98 -6.557 4.291 8.308 937 HA PRO 99 HA PRO 99 -11.173 1.836 11.068 938 1HB PRO 99 1HB PRO 99 -13.178 3.690 11.171 939 2HB PRO 99 2HB PRO 99 -12.272 3.179 12.581 940 1HG PRO 99 1HG PRO 99 -12.066 5.706 11.062 941 2HG PRO 99 2HG PRO 99 -11.500 5.350 12.682 942 1HD PRO 99 1HD PRO 99 -9.903 5.526 10.305 943 2HD PRO 99 2HD PRO 99 -9.357 5.056 11.903 944 QB PRO 99 QB PRO 99 -12.725 3.434 11.876 945 QG PRO 99 QG PRO 99 -11.783 5.528 11.872 946 QD PRO 99 QD PRO 99 -9.630 5.291 11.104 947 HA PRO 100 HA PRO 100 -12.900 1.399 7.212 948 1HB PRO 100 1HB PRO 100 -15.465 0.551 7.626 949 2HB PRO 100 2HB PRO 100 -14.073 -0.506 7.756 950 1HG PRO 100 2HG PRO 100 -14.619 -0.697 9.989 951 2HG PRO 100 1HG PRO 100 -15.717 0.667 9.915 952 1HD PRO 100 1HD PRO 100 -14.125 1.959 10.954 953 2HD PRO 100 2HD PRO 100 -12.987 0.627 10.922 954 QB PRO 100 QB PRO 100 -14.769 0.023 7.691 955 QG PRO 100 QG PRO 100 -15.168 -0.015 9.952 956 QD PRO 100 QD PRO 100 -13.556 1.293 10.938 957 HA PRO 101 HA PRO 101 -14.819 4.982 5.978 958 1HB PRO 101 1HB PRO 101 -15.217 4.467 3.324 959 2HB PRO 101 2HB PRO 101 -13.686 5.019 3.974 960 1HG PRO 101 1HG PRO 101 -14.445 2.311 3.062 961 2HG PRO 101 2HG PRO 101 -12.843 2.978 3.307 962 1HD PRO 101 1HD PRO 101 -14.229 1.162 5.042 963 2HD PRO 101 2HD PRO 101 -12.677 1.920 5.341 964 QB PRO 101 QB PRO 101 -14.452 4.743 3.649 965 QG PRO 101 QG PRO 101 -13.644 2.645 3.185 966 QD PRO 101 QD PRO 101 -13.453 1.541 5.191 967 H ARG 102 H ARG 102 -16.763 5.456 4.069 968 HA ARG 102 HA ARG 102 -18.956 4.228 5.500 969 1HB ARG 102 1HB ARG 102 -18.518 6.856 4.840 970 2HB ARG 102 2HB ARG 102 -19.472 6.363 3.456 971 1HG ARG 102 1HG ARG 102 -20.505 5.463 6.117 972 2HG ARG 102 2HG ARG 102 -20.554 7.192 5.836 973 1HD ARG 102 1HD ARG 102 -21.543 6.321 3.437 974 2HD ARG 102 2HD ARG 102 -22.071 5.001 4.462 975 HE ARG 102 HE ARG 102 -22.632 7.643 5.602 976 1HH1 ARG 102 1HH1 ARG 102 -23.856 5.097 3.462 977 2HH1 ARG 102 2HH1 ARG 102 -25.511 5.580 3.630 978 2HH2 ARG 102 HH2 ARG 102 -26.052 7.454 5.023 979 QB ARG 102 QB ARG 102 -18.995 6.610 4.148 980 QG ARG 102 QG ARG 102 -20.529 6.328 5.977 981 QD ARG 102 QD ARG 102 -21.807 5.661 3.949 982 QH1 ARG 102 QH1 ARG 102 -24.684 5.339 3.546 983 H PHE 103 H PHE 103 -17.391 4.500 2.321 984 HA PHE 103 HA PHE 103 -19.237 3.854 0.524 985 1HB PHE 103 1HB PHE 103 -16.620 2.286 0.864 986 2HB PHE 103 2HB PHE 103 -17.380 2.731 -0.651 987 HD1 PHE 103 HD1 PHE 103 -17.732 5.396 -0.892 988 HD2 PHE 103 HD2 PHE 103 -14.777 3.507 1.497 989 HE1 PHE 103 HE1 PHE 103 -16.326 7.474 -0.987 990 HE2 PHE 103 HE2 PHE 103 -13.371 5.584 1.402 991 HZ PHE 103 HZ PHE 103 -14.163 7.543 0.161 992 QB PHE 103 QB PHE 103 -17.000 2.509 0.106 993 QD PHE 103 QD PHE 103 -16.254 4.451 0.302 994 QE PHE 103 QE PHE 103 -14.849 6.529 0.208 995 QR PHE 103 QR PHE 103 -15.551 5.490 0.255 996 H HIS 104 H HIS 104 -19.855 1.747 -0.540 997 HA HIS 104 HA HIS 104 -20.996 0.052 1.395 998 1HB HIS 104 1HB HIS 104 -20.973 0.313 -1.550 999 2HB HIS 104 2HB HIS 104 -21.229 -1.318 -0.960 1000 HD1 HIS 104 HD1 HIS 104 -23.415 -1.778 0.435 1001 HD2 HIS 104 HD2 HIS 104 -23.092 2.113 -1.098 1002 HE1 HIS 104 HE1 HIS 104 -25.729 -0.726 0.660 1003 QB HIS 104 QB HIS 104 -21.101 -0.503 -1.255 1004 H ASP 105 H ASP 105 -20.714 -2.464 1.164 1005 HA ASP 105 HA ASP 105 -18.213 -3.384 0.323 1006 1HB ASP 105 1HB ASP 105 -18.203 -2.168 2.883 1007 2HB ASP 105 2HB ASP 105 -18.264 -3.887 3.216 1008 HD2 ASP 105 HD2 ASP 105 -15.457 -1.791 2.876 1009 QB ASP 105 QB ASP 105 -18.234 -3.027 3.049 No H/Q in entry = 1009 Start of MODEL 5 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.499 0.996 -1.371 3 1HB LEU 7 1HB LEU 7 2.944 -1.824 -0.540 4 2HB LEU 7 2HB LEU 7 3.422 -1.383 -2.167 5 HG LEU 7 HG LEU 7 4.339 0.168 0.261 6 1HD1 LEU 7 1HD1 LEU 7 4.993 -2.507 -0.303 7 2HD1 LEU 7 2HD1 LEU 7 6.389 -1.539 -0.835 8 3HD1 LEU 7 3HD1 LEU 7 5.796 -1.401 0.837 9 1HD2 LEU 7 1HD2 LEU 7 5.148 0.077 -2.640 10 2HD2 LEU 7 2HD2 LEU 7 4.691 1.476 -1.639 11 3HD2 LEU 7 3HD2 LEU 7 6.257 0.670 -1.380 12 MD1 LEU 7 MD1 LEU 7 5.726 -1.816 -0.101 13 MD2 LEU 7 MD2 LEU 7 5.365 0.741 -1.886 14 QB LEU 7 QB LEU 7 3.183 -1.603 -1.353 15 QD LEU 7 QD LEU 7 5.546 -0.537 -0.993 16 H SER 8 H SER 8 2.695 -0.477 -3.715 17 HA SER 8 HA SER 8 0.338 -1.645 -4.538 18 1HB SER 8 1HB SER 8 0.407 1.336 -4.711 19 2HB SER 8 2HB SER 8 -0.128 0.512 -6.162 20 HG SER 8 HG SER 8 -1.269 0.381 -3.514 21 QB SER 8 QB SER 8 0.140 0.924 -5.437 22 H LEU 9 H LEU 9 0.240 -1.318 -7.207 23 HA LEU 9 HA LEU 9 2.848 -2.163 -8.034 24 1HB LEU 9 1HB LEU 9 0.445 -1.701 -9.786 25 2HB LEU 9 2HB LEU 9 1.814 -2.758 -10.072 26 HG LEU 9 HG LEU 9 -0.407 -3.141 -8.052 27 1HD1 LEU 9 1HD1 LEU 9 -0.624 -3.688 -10.604 28 2HD1 LEU 9 2HD1 LEU 9 0.361 -5.108 -10.180 29 3HD1 LEU 9 3HD1 LEU 9 -1.207 -4.841 -9.380 30 1HD2 LEU 9 1HD2 LEU 9 2.310 -4.081 -7.926 31 2HD2 LEU 9 2HD2 LEU 9 0.966 -4.337 -6.787 32 3HD2 LEU 9 3HD2 LEU 9 1.201 -5.455 -8.152 33 MD1 LEU 9 MD1 LEU 9 -0.490 -4.546 -10.055 34 MD2 LEU 9 MD2 LEU 9 1.492 -4.624 -7.621 35 QB LEU 9 QB LEU 9 1.129 -2.229 -9.929 36 QD LEU 9 QD LEU 9 0.501 -4.585 -8.838 37 H THR 10 H THR 10 0.730 0.709 -8.435 38 HA THR 10 HA THR 10 2.118 2.018 -10.420 39 HB THR 10 HB THR 10 1.016 4.024 -9.474 40 HG1 THR 10 HG1 THR 10 0.443 2.216 -7.242 41 1HG2 THR 10 1HG2 THR 10 -0.384 1.485 -9.835 42 2HG2 THR 10 2HG2 THR 10 -1.154 2.424 -8.533 43 3HG2 THR 10 3HG2 THR 10 -0.975 3.133 -10.156 44 MG THR 10 MG THR 10 -0.838 2.347 -9.508 45 H GLN 11 H GLN 11 2.574 2.586 -6.861 46 HA GLN 11 HA GLN 11 4.817 4.128 -7.204 47 1HB GLN 11 1HB GLN 11 3.356 2.912 -5.017 48 2HB GLN 11 2HB GLN 11 5.073 2.723 -4.725 49 1HG GLN 11 1HG GLN 11 5.471 5.092 -4.841 50 2HG GLN 11 2HG GLN 11 3.916 5.401 -5.587 51 2HE2 GLN 11 1HE2 GLN 11 5.356 6.210 -3.016 52 1HE2 GLN 11 2HE2 GLN 11 4.181 6.003 -1.760 53 QB GLN 11 QB GLN 11 4.214 2.817 -4.871 54 QG GLN 11 QG GLN 11 4.693 5.246 -5.214 55 QE GLN 11 QE GLN 11 4.768 6.107 -2.388 56 H LEU 12 H LEU 12 4.384 0.612 -7.242 57 HA LEU 12 HA LEU 12 6.991 -0.167 -6.683 58 1HB LEU 12 1HB LEU 12 4.572 -1.362 -7.378 59 2HB LEU 12 2HB LEU 12 5.663 -1.816 -8.673 60 HG LEU 12 HG LEU 12 5.694 -3.529 -6.998 61 1HD1 LEU 12 1HD1 LEU 12 8.019 -2.089 -7.801 62 2HD1 LEU 12 2HD1 LEU 12 8.267 -2.667 -6.136 63 3HD1 LEU 12 3HD1 LEU 12 7.848 -3.820 -7.425 64 1HD2 LEU 12 1HD2 LEU 12 4.995 -1.799 -5.162 65 2HD2 LEU 12 2HD2 LEU 12 5.921 -3.255 -4.724 66 3HD2 LEU 12 3HD2 LEU 12 6.749 -1.687 -4.881 67 MD1 LEU 12 MD1 LEU 12 8.045 -2.859 -7.120 68 MD2 LEU 12 MD2 LEU 12 5.889 -2.247 -4.922 69 QB LEU 12 QB LEU 12 5.117 -1.589 -8.026 70 QD LEU 12 QD LEU 12 6.967 -2.553 -6.021 71 H SER 13 H SER 13 5.707 1.650 -9.324 72 HA SER 13 HA SER 13 8.297 1.532 -10.562 73 1HB SER 13 1HB SER 13 6.215 -0.037 -11.607 74 2HB SER 13 2HB SER 13 6.190 1.398 -12.613 75 HG SER 13 HG SER 13 8.557 -0.179 -12.054 76 QB SER 13 QB SER 13 6.202 0.681 -12.110 77 H SER 14 H SER 14 6.403 3.402 -9.018 78 HA SER 14 HA SER 14 5.816 5.490 -9.020 79 1HB SER 14 1HB SER 14 8.156 5.398 -10.756 80 2HB SER 14 2HB SER 14 7.087 6.690 -11.265 81 HG SER 14 HG SER 14 7.944 6.302 -8.526 82 QB SER 14 QB SER 14 7.622 6.044 -11.011 83 H GLY 15 H GLY 15 4.563 3.390 -10.981 84 1HA GLY 15 1HA GLY 15 2.413 3.743 -11.907 85 2HA GLY 15 2HA GLY 15 2.894 5.351 -12.414 86 QA GLY 15 QA GLY 15 2.654 4.547 -12.161 87 H ASN 16 H ASN 16 4.402 2.056 -12.778 88 HA ASN 16 HA ASN 16 4.253 2.492 -15.650 89 1HB ASN 16 1HB ASN 16 6.622 2.782 -14.347 90 2HB ASN 16 2HB ASN 16 6.642 1.037 -14.512 91 2HD2 ASN 16 1HD2 ASN 16 8.601 2.014 -15.755 92 1HD2 ASN 16 2HD2 ASN 16 8.394 2.190 -17.466 93 QB ASN 16 QB ASN 16 6.632 1.910 -14.430 94 QD ASN 16 QD ASN 16 8.497 2.102 -16.610 95 HA PRO 17 HA PRO 17 2.630 -1.591 -14.902 96 1HB PRO 17 1HB PRO 17 1.299 -1.862 -17.273 97 2HB PRO 17 2HB PRO 17 0.591 -1.110 -15.857 98 1HG PRO 17 1HG PRO 17 1.620 0.170 -18.315 99 2HG PRO 17 2HG PRO 17 0.545 0.832 -17.100 100 1HD PRO 17 1HD PRO 17 3.337 1.406 -17.418 101 2HD PRO 17 2HD PRO 17 2.289 1.977 -16.135 102 QB PRO 17 QB PRO 17 0.945 -1.486 -16.565 103 QG PRO 17 QG PRO 17 1.082 0.501 -17.708 104 QD PRO 17 QD PRO 17 2.813 1.691 -16.776 105 H VAL 18 H VAL 18 5.113 -0.589 -16.695 106 HA VAL 18 HA VAL 18 5.601 -2.426 -18.603 107 HB VAL 18 HB VAL 18 7.033 -0.534 -18.025 108 1HG1 VAL 18 1HG1 VAL 18 6.893 -1.000 -15.507 109 2HG1 VAL 18 2HG1 VAL 18 8.201 -2.178 -15.771 110 3HG1 VAL 18 3HG1 VAL 18 8.462 -0.459 -16.150 111 1HG2 VAL 18 1HG2 VAL 18 8.203 -3.288 -18.295 112 2HG2 VAL 18 2HG2 VAL 18 8.152 -1.952 -19.469 113 3HG2 VAL 18 3HG2 VAL 18 9.285 -1.889 -18.097 114 MG1 VAL 18 MG1 VAL 18 7.852 -1.212 -15.809 115 MG2 VAL 18 MG2 VAL 18 8.547 -2.376 -18.620 116 QG VAL 18 QG VAL 18 8.199 -1.794 -17.215 117 H TYR 19 H TYR 19 5.716 -2.886 -15.054 118 HA TYR 19 HA TYR 19 6.966 -5.403 -15.110 119 1HB TYR 19 1HB TYR 19 5.413 -3.574 -13.314 120 2HB TYR 19 2HB TYR 19 5.213 -5.264 -12.893 121 HD1 TYR 19 HD1 TYR 19 8.338 -3.906 -14.345 122 HD2 TYR 19 HD2 TYR 19 6.337 -5.138 -10.770 123 HE1 TYR 19 HE1 TYR 19 10.545 -3.856 -13.084 124 HE2 TYR 19 HE2 TYR 19 8.551 -5.084 -9.521 125 HH TYR 19 HH TYR 19 10.878 -5.234 -9.980 126 QB TYR 19 QB TYR 19 5.313 -4.419 -13.104 127 QD TYR 19 QD TYR 19 7.338 -4.522 -12.557 128 QE TYR 19 QE TYR 19 9.548 -4.470 -11.302 129 QR TYR 19 QR TYR 19 8.443 -4.496 -11.930 130 H GLU 20 H GLU 20 3.512 -4.359 -15.214 131 HA GLU 20 HA GLU 20 2.280 -6.700 -14.798 132 1HB GLU 20 1HB GLU 20 1.618 -4.178 -15.934 133 2HB GLU 20 2HB GLU 20 1.045 -5.373 -17.081 134 1HG GLU 20 1HG GLU 20 0.472 -6.044 -14.237 135 2HG GLU 20 2HG GLU 20 -0.320 -4.586 -14.802 136 HE2 GLU 20 HE2 GLU 20 -1.174 -7.499 -14.377 137 QB GLU 20 QB GLU 20 1.331 -4.776 -16.507 138 QG GLU 20 QG GLU 20 0.076 -5.315 -14.520 139 H LYS 21 H LYS 21 3.972 -5.627 -17.779 140 HA LYS 21 HA LYS 21 3.097 -7.550 -19.528 141 1HB LYS 21 1HB LYS 21 5.112 -5.558 -19.425 142 2HB LYS 21 2HB LYS 21 5.910 -7.040 -19.911 143 1HG LYS 21 1HG LYS 21 4.237 -7.382 -21.716 144 2HG LYS 21 2HG LYS 21 3.364 -5.952 -21.204 145 1HD LYS 21 1HD LYS 21 5.869 -4.881 -21.516 146 2HD LYS 21 2HD LYS 21 5.944 -6.167 -22.705 147 1HE LYS 21 1HE LYS 21 3.628 -5.287 -23.536 148 2HE LYS 21 2HE LYS 21 3.962 -3.861 -22.574 149 QB LYS 21 QB LYS 21 5.511 -6.299 -19.668 150 QD LYS 21 QD LYS 21 5.907 -5.524 -22.110 151 QG LYS 21 QG LYS 21 3.801 -6.667 -21.460 152 QE LYS 21 QE LYS 21 3.795 -4.574 -23.055 153 QZ LYS 21 QZ LYS 21 5.407 -4.393 -24.738 154 H TYR 22 H TYR 22 6.164 -7.719 -17.576 155 HA TYR 22 HA TYR 22 6.685 -10.376 -18.137 156 1HB TYR 22 2HB TYR 22 8.189 -10.108 -16.176 157 2HB TYR 22 1HB TYR 22 7.164 -8.854 -15.506 158 HD1 TYR 22 HD1 TYR 22 8.004 -8.947 -19.099 159 HD2 TYR 22 HD2 TYR 22 8.965 -7.244 -15.294 160 HE1 TYR 22 HE1 TYR 22 9.421 -7.173 -20.243 161 HE2 TYR 22 HE2 TYR 22 10.378 -5.475 -16.450 162 HH TYR 22 HH TYR 22 10.251 -4.997 -19.835 163 QB TYR 22 QB TYR 22 7.677 -9.481 -15.841 164 QD TYR 22 QD TYR 22 8.485 -8.096 -17.197 165 QE TYR 22 QE TYR 22 9.899 -6.324 -18.347 166 QR TYR 22 QR TYR 22 9.192 -7.210 -17.772 167 H TYR 23 H TYR 23 4.784 -8.888 -15.443 168 HA TYR 23 HA TYR 23 4.375 -11.157 -13.940 169 1HB TYR 23 1HB TYR 23 3.629 -9.036 -13.090 170 2HB TYR 23 2HB TYR 23 2.922 -8.571 -14.624 171 HD1 TYR 23 HD1 TYR 23 0.735 -9.678 -15.347 172 HD2 TYR 23 HD2 TYR 23 2.310 -10.022 -11.384 173 HE1 TYR 23 HE1 TYR 23 -1.558 -10.358 -14.487 174 HE2 TYR 23 HE2 TYR 23 0.010 -10.701 -10.537 175 HH TYR 23 HH TYR 23 -2.003 -11.700 -11.408 176 QB TYR 23 QB TYR 23 3.276 -8.804 -13.857 177 QD TYR 23 QD TYR 23 1.522 -9.850 -13.365 178 QE TYR 23 QE TYR 23 -0.774 -10.529 -12.512 179 QR TYR 23 QR TYR 23 0.374 -10.190 -12.939 180 H ARG 24 H ARG 24 2.856 -10.129 -17.002 181 HA ARG 24 HA ARG 24 0.829 -12.119 -16.747 182 1HB ARG 24 1HB ARG 24 0.501 -9.880 -17.916 183 2HB ARG 24 2HB ARG 24 1.587 -10.424 -19.179 184 1HG ARG 24 1HG ARG 24 -0.040 -11.663 -20.175 185 2HG ARG 24 2HG ARG 24 -0.470 -12.443 -18.665 186 1HD ARG 24 2HD ARG 24 -1.505 -9.925 -18.234 187 2HD ARG 24 1HD ARG 24 -2.431 -11.273 -18.863 188 HE ARG 24 HE ARG 24 -1.069 -9.997 -21.041 189 1HH1 ARG 24 1HH1 ARG 24 -3.747 -9.415 -18.796 190 2HH1 ARG 24 2HH1 ARG 24 -4.597 -8.370 -19.885 191 2HH2 ARG 24 HH2 ARG 24 -3.663 -7.916 -22.045 192 QB ARG 24 QB ARG 24 1.044 -10.152 -18.548 193 QG ARG 24 QG ARG 24 -0.255 -12.053 -19.420 194 QD ARG 24 QD ARG 24 -1.968 -10.599 -18.549 195 QH1 ARG 24 QH1 ARG 24 -4.172 -8.893 -19.340 196 H GLN 25 H GLN 25 4.066 -11.769 -18.088 197 HA GLN 25 HA GLN 25 3.918 -13.678 -20.088 198 1HB GLN 25 1HB GLN 25 6.071 -12.315 -18.533 199 2HB GLN 25 2HB GLN 25 6.533 -13.831 -19.282 200 1HG GLN 25 1HG GLN 25 5.049 -12.505 -21.284 201 2HG GLN 25 2HG GLN 25 5.984 -11.227 -20.535 202 2HE2 GLN 25 1HE2 GLN 25 8.229 -12.622 -19.713 203 1HE2 GLN 25 2HE2 GLN 25 9.140 -13.156 -21.086 204 QB GLN 25 QB GLN 25 6.302 -13.073 -18.908 205 QG GLN 25 QG GLN 25 5.517 -11.866 -20.910 206 QE GLN 25 QE GLN 25 8.684 -12.889 -20.400 207 H VAL 26 H VAL 26 4.451 -13.911 -16.554 208 HA VAL 26 HA VAL 26 5.131 -16.693 -16.687 209 HB VAL 26 HB VAL 26 5.602 -16.503 -14.475 210 1HG1 VAL 26 1HG1 VAL 26 6.666 -14.598 -15.867 211 2HG1 VAL 26 2HG1 VAL 26 5.555 -13.527 -14.980 212 3HG1 VAL 26 3HG1 VAL 26 6.753 -14.500 -14.092 213 1HG2 VAL 26 1HG2 VAL 26 3.224 -14.653 -14.311 214 2HG2 VAL 26 2HG2 VAL 26 3.505 -16.203 -13.483 215 3HG2 VAL 26 3HG2 VAL 26 4.407 -14.752 -12.985 216 MG1 VAL 26 MG1 VAL 26 6.325 -14.209 -14.980 217 MG2 VAL 26 MG2 VAL 26 3.712 -15.203 -13.593 218 QG VAL 26 QG VAL 26 5.018 -14.706 -14.286 219 H GLU 27 H GLU 27 2.238 -14.669 -16.062 220 HA GLU 27 HA GLU 27 0.557 -16.374 -14.924 221 1HB GLU 27 1HB GLU 27 -0.124 -14.127 -15.532 222 2HB GLU 27 2HB GLU 27 0.032 -14.473 -17.243 223 1HG GLU 27 1HG GLU 27 -1.747 -16.436 -16.064 224 2HG GLU 27 2HG GLU 27 -2.273 -14.839 -15.570 225 HE2 GLU 27 HE2 GLU 27 -3.693 -13.879 -17.780 226 QB GLU 27 QB GLU 27 -0.046 -14.300 -16.388 227 QG GLU 27 QG GLU 27 -2.010 -15.637 -15.817 228 H ALA 28 H ALA 28 -0.719 -18.180 -15.459 229 HA ALA 28 HA ALA 28 -0.091 -19.362 -18.077 230 1HB ALA 28 3HB ALA 28 0.826 -20.820 -16.500 231 2HB ALA 28 2HB ALA 28 -0.798 -21.509 -16.732 232 3HB ALA 28 1HB ALA 28 -0.455 -20.500 -15.306 233 MB ALA 28 MB ALA 28 -0.142 -20.943 -16.179 234 H GLY 29 H GLY 29 -1.769 -19.826 -19.449 235 1HA GLY 29 1HA GLY 29 -3.926 -20.336 -20.047 236 2HA GLY 29 2HA GLY 29 -4.471 -20.057 -18.405 237 QA GLY 29 QA GLY 29 -4.198 -20.196 -19.226 238 H ASN 30 H ASN 30 -6.242 -18.919 -19.786 239 HA ASN 30 HA ASN 30 -5.356 -16.175 -20.224 240 1HB ASN 30 1HB ASN 30 -6.366 -17.788 -22.178 241 2HB ASN 30 2HB ASN 30 -7.880 -17.196 -21.523 242 2HD2 ASN 30 1HD2 ASN 30 -5.612 -16.681 -23.798 243 1HD2 ASN 30 2HD2 ASN 30 -5.784 -14.982 -24.091 244 QB ASN 30 QB ASN 30 -7.123 -17.492 -21.850 245 QD ASN 30 QD ASN 30 -5.698 -15.831 -23.944 246 H THR 31 H THR 31 -6.001 -16.804 -17.644 247 HA THR 31 HA THR 31 -8.828 -16.024 -17.350 248 HB THR 31 HB THR 31 -8.808 -17.320 -15.285 249 HG1 THR 31 HG1 THR 31 -5.988 -17.762 -15.948 250 1HG2 THR 31 1HG2 THR 31 -7.249 -18.775 -17.484 251 2HG2 THR 31 2HG2 THR 31 -7.883 -19.577 -16.027 252 3HG2 THR 31 3HG2 THR 31 -9.004 -18.846 -17.201 253 MG THR 31 MG THR 31 -8.045 -19.066 -16.904 254 H GLY 32 H GLY 32 -5.555 -15.036 -17.038 255 1HA GLY 32 1HA GLY 32 -4.855 -12.933 -16.462 256 2HA GLY 32 2HA GLY 32 -6.420 -12.583 -15.755 257 QA GLY 32 QA GLY 32 -5.638 -12.758 -16.109 258 H ARG 33 H ARG 33 -5.081 -15.660 -14.813 259 HA ARG 33 HA ARG 33 -4.308 -14.438 -12.288 260 1HB ARG 33 1HB ARG 33 -5.389 -17.240 -12.875 261 2HB ARG 33 2HB ARG 33 -4.825 -16.728 -11.297 262 1HG ARG 33 1HG ARG 33 -6.615 -14.688 -12.084 263 2HG ARG 33 2HG ARG 33 -7.385 -16.166 -12.627 264 1HD ARG 33 1HD ARG 33 -6.418 -16.806 -10.050 265 2HD ARG 33 2HD ARG 33 -7.011 -15.166 -9.886 266 HE ARG 33 HE ARG 33 -9.183 -15.988 -10.080 267 1HH1 ARG 33 1HH1 ARG 33 -6.980 -18.324 -11.578 268 2HH1 ARG 33 2HH1 ARG 33 -8.227 -19.481 -11.900 269 2HH2 ARG 33 HH2 ARG 33 -10.483 -18.984 -11.262 270 QB ARG 33 QB ARG 33 -5.107 -16.984 -12.086 271 QG ARG 33 QG ARG 33 -7.000 -15.427 -12.356 272 QD ARG 33 QD ARG 33 -6.714 -15.986 -9.968 273 QH1 ARG 33 QH1 ARG 33 -7.604 -18.903 -11.739 274 H VAL 34 H VAL 34 -2.355 -15.219 -11.243 275 HA VAL 34 HA VAL 34 -0.536 -16.513 -13.132 276 HB VAL 34 HB VAL 34 0.281 -15.242 -10.545 277 1HG1 VAL 34 1HG1 VAL 34 1.569 -15.490 -13.284 278 2HG1 VAL 34 2HG1 VAL 34 2.288 -14.650 -11.889 279 3HG1 VAL 34 3HG1 VAL 34 1.990 -16.404 -11.815 280 1HG2 VAL 34 1HG2 VAL 34 -0.546 -13.779 -13.066 281 2HG2 VAL 34 2HG2 VAL 34 -1.145 -13.540 -11.407 282 3HG2 VAL 34 3HG2 VAL 34 0.519 -13.068 -11.829 283 MG1 VAL 34 MG1 VAL 34 1.949 -15.515 -12.329 284 MG2 VAL 34 MG2 VAL 34 -0.391 -13.462 -12.101 285 QG VAL 34 QG VAL 34 0.779 -14.488 -12.215 286 H LEU 35 H LEU 35 -0.245 -18.665 -12.923 287 HA LEU 35 HA LEU 35 -1.249 -20.096 -10.738 288 1HB LEU 35 1HB LEU 35 0.022 -20.610 -13.272 289 2HB LEU 35 2HB LEU 35 0.710 -21.647 -12.038 290 HG LEU 35 HG LEU 35 -2.244 -21.410 -12.676 291 1HD1 LEU 35 1HD1 LEU 35 -0.328 -22.668 -14.191 292 2HD1 LEU 35 2HD1 LEU 35 -0.917 -23.983 -13.145 293 3HD1 LEU 35 3HD1 LEU 35 -2.062 -23.072 -14.159 294 1HD2 LEU 35 1HD2 LEU 35 -1.202 -22.136 -10.280 295 2HD2 LEU 35 2HD2 LEU 35 -2.734 -22.756 -10.941 296 3HD2 LEU 35 3HD2 LEU 35 -1.240 -23.708 -11.113 297 MD1 LEU 35 MD1 LEU 35 -1.102 -23.241 -13.832 298 MD2 LEU 35 MD2 LEU 35 -1.726 -22.867 -10.778 299 QB LEU 35 QB LEU 35 0.366 -21.129 -12.655 300 QD LEU 35 QD LEU 35 -1.414 -23.054 -12.305 301 H ALA 36 H ALA 36 1.513 -18.107 -11.023 302 HA ALA 36 HA ALA 36 3.041 -17.608 -9.473 303 1HB ALA 36 3HB ALA 36 2.967 -18.499 -7.298 304 2HB ALA 36 2HB ALA 36 2.350 -20.072 -7.859 305 3HB ALA 36 1HB ALA 36 1.282 -18.648 -7.853 306 MB ALA 36 MB ALA 36 2.200 -19.073 -7.670 307 H LEU 37 H LEU 37 2.730 -21.207 -9.892 308 HA LEU 37 HA LEU 37 5.295 -21.954 -9.650 309 1HB LEU 37 1HB LEU 37 3.032 -22.865 -11.354 310 2HB LEU 37 2HB LEU 37 4.619 -23.528 -11.692 311 HG LEU 37 HG LEU 37 3.092 -24.845 -10.131 312 1HD1 LEU 37 1HD1 LEU 37 5.911 -24.455 -10.143 313 2HD1 LEU 37 2HD1 LEU 37 5.396 -24.696 -8.456 314 3HD1 LEU 37 3HD1 LEU 37 4.986 -25.908 -9.694 315 1HD2 LEU 37 1HD2 LEU 37 2.324 -22.906 -8.799 316 2HD2 LEU 37 2HD2 LEU 37 3.005 -24.213 -7.800 317 3HD2 LEU 37 3HD2 LEU 37 3.963 -22.748 -8.125 318 MD1 LEU 37 MD1 LEU 37 5.431 -25.019 -9.431 319 MD2 LEU 37 MD2 LEU 37 3.097 -23.289 -8.241 320 QB LEU 37 QB LEU 37 3.825 -23.196 -11.523 321 QD LEU 37 QD LEU 37 4.264 -24.154 -8.836 322 H ASP 38 H ASP 38 3.806 -20.297 -12.477 323 HA ASP 38 HA ASP 38 6.104 -20.503 -14.056 324 1HB ASP 38 1HB ASP 38 3.460 -19.560 -14.337 325 2HB ASP 38 2HB ASP 38 4.439 -18.124 -14.565 326 HD2 ASP 38 HD2 ASP 38 3.270 -20.825 -16.132 327 QB ASP 38 QB ASP 38 3.950 -18.842 -14.451 328 H ALA 39 H ALA 39 4.682 -17.960 -11.895 329 HA ALA 39 HA ALA 39 6.393 -15.887 -12.396 330 1HB ALA 39 3HB ALA 39 4.634 -15.349 -10.994 331 2HB ALA 39 2HB ALA 39 5.943 -15.499 -9.798 332 3HB ALA 39 1HB ALA 39 4.797 -16.840 -10.036 333 MB ALA 39 MB ALA 39 5.125 -15.896 -10.276 334 H ALA 40 H ALA 40 6.857 -18.770 -10.280 335 HA ALA 40 HA ALA 40 9.295 -17.906 -9.185 336 1HB ALA 40 1HB ALA 40 7.903 -20.576 -9.521 337 2HB ALA 40 3HB ALA 40 8.129 -19.613 -8.041 338 3HB ALA 40 2HB ALA 40 9.515 -20.456 -8.774 339 MB ALA 40 MB ALA 40 8.516 -20.215 -8.778 340 H ALA 41 H ALA 41 8.366 -19.444 -12.252 341 HA ALA 41 HA ALA 41 10.980 -20.323 -12.915 342 1HB ALA 41 1HB ALA 41 8.577 -20.988 -13.807 343 2HB ALA 41 3HB ALA 41 9.989 -21.048 -14.889 344 3HB ALA 41 2HB ALA 41 8.871 -19.666 -14.961 345 MB ALA 41 MB ALA 41 9.146 -20.567 -14.552 346 H PHE 42 H PHE 42 8.963 -17.436 -13.780 347 HA PHE 42 HA PHE 42 10.877 -16.272 -15.440 348 1HB PHE 42 1HB PHE 42 8.558 -15.528 -15.455 349 2HB PHE 42 2HB PHE 42 8.530 -15.339 -13.713 350 HD1 PHE 42 HD1 PHE 42 10.209 -13.938 -16.734 351 HD2 PHE 42 HD2 PHE 42 8.772 -13.221 -12.807 352 HE1 PHE 42 HE1 PHE 42 10.725 -11.495 -16.992 353 HE2 PHE 42 HE2 PHE 42 9.288 -10.778 -13.064 354 HZ PHE 42 HZ PHE 42 10.259 -9.944 -15.154 355 QB PHE 42 QB PHE 42 8.544 -15.433 -14.584 356 QD PHE 42 QD PHE 42 9.491 -13.579 -14.771 357 QE PHE 42 QE PHE 42 10.007 -11.137 -15.028 358 QR PHE 42 QR PHE 42 9.749 -12.358 -14.899 359 H LEU 43 H LEU 43 10.337 -16.133 -11.892 360 HA LEU 43 HA LEU 43 12.060 -13.978 -11.405 361 1HB LEU 43 1HB LEU 43 11.026 -16.245 -9.714 362 2HB LEU 43 2HB LEU 43 12.105 -15.022 -9.074 363 HG LEU 43 HG LEU 43 9.422 -14.417 -10.344 364 1HD1 LEU 43 1HD1 LEU 43 9.740 -15.743 -7.982 365 2HD1 LEU 43 2HD1 LEU 43 9.721 -14.049 -7.437 366 3HD1 LEU 43 3HD1 LEU 43 8.361 -14.693 -8.387 367 1HD2 LEU 43 1HD2 LEU 43 11.647 -12.762 -9.543 368 2HD2 LEU 43 2HD2 LEU 43 10.130 -12.314 -10.361 369 3HD2 LEU 43 3HD2 LEU 43 10.200 -12.371 -8.583 370 MD1 LEU 43 MD1 LEU 43 9.274 -14.828 -7.936 371 MD2 LEU 43 MD2 LEU 43 10.659 -12.483 -9.496 372 QB LEU 43 QB LEU 43 11.566 -15.633 -9.394 373 QD LEU 43 QD LEU 43 9.966 -13.655 -8.716 374 H LYS 44 H LYS 44 12.567 -17.545 -11.574 375 HA LYS 44 HA LYS 44 15.153 -17.638 -10.667 376 1HB LYS 44 1HB LYS 44 13.518 -19.291 -12.559 377 2HB LYS 44 2HB LYS 44 15.235 -19.616 -12.429 378 1HG LYS 44 1HG LYS 44 14.161 -19.257 -9.759 379 2HG LYS 44 2HG LYS 44 13.146 -20.399 -10.619 380 1HD LYS 44 1HD LYS 44 15.482 -21.455 -11.365 381 2HD LYS 44 2HD LYS 44 16.092 -20.604 -9.959 382 1HE LYS 44 2HE LYS 44 13.723 -21.846 -9.042 383 2HE LYS 44 1HE LYS 44 15.367 -22.334 -8.681 384 QB LYS 44 QB LYS 44 14.376 -19.453 -12.494 385 QD LYS 44 QD LYS 44 15.787 -21.029 -10.662 386 QG LYS 44 QG LYS 44 13.654 -19.828 -10.189 387 QE LYS 44 QE LYS 44 14.545 -22.090 -8.862 388 QZ LYS 44 QZ LYS 44 14.129 -23.489 -10.765 389 H LYS 45 H LYS 45 13.866 -16.156 -13.558 390 HA LYS 45 HA LYS 45 16.285 -16.272 -15.051 391 1HB LYS 45 2HB LYS 45 15.146 -14.784 -16.587 392 2HB LYS 45 1HB LYS 45 13.916 -14.412 -15.396 393 1HG LYS 45 1HG LYS 45 13.984 -17.257 -15.556 394 2HG LYS 45 2HG LYS 45 12.713 -16.190 -16.118 395 1HD LYS 45 1HD LYS 45 14.996 -16.222 -17.977 396 2HD LYS 45 2HD LYS 45 14.354 -17.832 -17.718 397 1HE LYS 45 1HE LYS 45 12.013 -16.413 -18.011 398 2HE LYS 45 2HE LYS 45 13.079 -15.470 -19.032 399 QB LYS 45 QB LYS 45 14.531 -14.598 -15.991 400 QD LYS 45 QD LYS 45 14.675 -17.027 -17.848 401 QG LYS 45 QG LYS 45 13.348 -16.723 -15.837 402 QE LYS 45 QE LYS 45 12.546 -15.942 -18.522 403 QZ LYS 45 QZ LYS 45 13.083 -18.025 -19.675 404 H SER 46 H SER 46 15.525 -14.761 -12.166 405 HA SER 46 HA SER 46 16.553 -12.207 -12.628 406 1HB SER 46 2HB SER 46 15.119 -12.830 -10.683 407 2HB SER 46 1HB SER 46 16.583 -12.000 -10.194 408 HG SER 46 HG SER 46 15.936 -14.795 -9.965 409 QB SER 46 QB SER 46 15.851 -12.415 -10.439 410 H GLY 47 H GLY 47 18.028 -14.802 -10.544 411 1HA GLY 47 1HA GLY 47 20.368 -15.311 -11.740 412 2HA GLY 47 2HA GLY 47 20.673 -13.723 -11.063 413 QA GLY 47 QA GLY 47 20.520 -14.517 -11.402 414 H LEU 48 H LEU 48 18.640 -14.348 -8.805 415 HA LEU 48 HA LEU 48 20.578 -15.346 -6.989 416 1HB LEU 48 1HB LEU 48 17.712 -14.480 -6.817 417 2HB LEU 48 2HB LEU 48 18.471 -15.291 -5.461 418 HG LEU 48 HG LEU 48 19.677 -12.825 -6.724 419 1HD1 LEU 48 1HD1 LEU 48 17.464 -13.031 -4.698 420 2HD1 LEU 48 2HD1 LEU 48 18.604 -11.664 -4.671 421 3HD1 LEU 48 3HD1 LEU 48 17.610 -11.966 -6.116 422 1HD2 LEU 48 1HD2 LEU 48 20.235 -14.506 -4.343 423 2HD2 LEU 48 2HD2 LEU 48 21.338 -13.580 -5.389 424 3HD2 LEU 48 3HD2 LEU 48 20.391 -12.745 -4.133 425 MD1 LEU 48 MD1 LEU 48 17.892 -12.220 -5.162 426 MD2 LEU 48 MD2 LEU 48 20.655 -13.610 -4.622 427 QB LEU 48 QB LEU 48 18.091 -14.885 -6.139 428 QD LEU 48 QD LEU 48 19.274 -12.915 -4.892 429 HA PRO 49 HA PRO 49 19.596 -19.547 -6.999 430 1HB PRO 49 1HB PRO 49 19.970 -20.297 -4.398 431 2HB PRO 49 2HB PRO 49 21.290 -20.052 -5.525 432 1HG PRO 49 2HG PRO 49 21.930 -18.308 -4.158 433 2HG PRO 49 1HG PRO 49 20.396 -18.309 -3.311 434 1HD PRO 49 1HD PRO 49 19.774 -16.450 -4.511 435 2HD PRO 49 2HD PRO 49 21.259 -16.520 -5.437 436 QB PRO 49 QB PRO 49 20.630 -20.175 -4.962 437 QG PRO 49 QG PRO 49 21.163 -18.309 -3.734 438 QD PRO 49 QD PRO 49 20.516 -16.485 -4.974 439 H ASP 50 H ASP 50 18.464 -21.316 -5.208 440 HA ASP 50 HA ASP 50 15.746 -20.361 -5.444 441 1HB ASP 50 1HB ASP 50 16.537 -23.137 -4.524 442 2HB ASP 50 2HB ASP 50 15.084 -22.645 -5.371 443 HD2 ASP 50 HD2 ASP 50 15.973 -24.604 -6.467 444 QB ASP 50 QB ASP 50 15.811 -22.891 -4.948 445 H LEU 51 H LEU 51 18.278 -21.355 -3.136 446 HA LEU 51 HA LEU 51 16.683 -21.793 -0.894 447 1HB LEU 51 1HB LEU 51 18.714 -22.529 -0.390 448 2HB LEU 51 2HB LEU 51 19.498 -21.464 -1.540 449 HG LEU 51 HG LEU 51 19.377 -19.614 0.108 450 1HD1 LEU 51 1HD1 LEU 51 18.069 -21.733 1.805 451 2HD1 LEU 51 2HD1 LEU 51 18.931 -20.354 2.529 452 3HD1 LEU 51 3HD1 LEU 51 17.532 -20.070 1.465 453 1HD2 LEU 51 1HD2 LEU 51 20.841 -22.164 0.719 454 2HD2 LEU 51 2HD2 LEU 51 21.458 -20.616 0.095 455 3HD2 LEU 51 3HD2 LEU 51 20.989 -20.761 1.805 456 MD1 LEU 51 MD1 LEU 51 18.177 -20.719 1.933 457 MD2 LEU 51 MD2 LEU 51 21.096 -21.180 0.873 458 QB LEU 51 QB LEU 51 19.106 -21.997 -0.965 459 QD LEU 51 QD LEU 51 19.637 -20.950 1.403 460 H ILE 52 H ILE 52 18.624 -18.827 -1.718 461 HA ILE 52 HA ILE 52 17.477 -17.251 0.253 462 HB ILE 52 HB ILE 52 18.775 -16.566 -2.381 463 1HG1 ILE 52 1HG1 ILE 52 19.991 -17.786 -0.403 464 2HG1 ILE 52 2HG1 ILE 52 20.777 -16.480 -1.268 465 1HG2 ILE 52 1HG2 ILE 52 17.952 -14.732 -0.116 466 2HG2 ILE 52 2HG2 ILE 52 19.081 -14.288 -1.419 467 3HG2 ILE 52 3HG2 ILE 52 17.391 -14.692 -1.805 468 1HD1 ILE 52 1HD1 ILE 52 19.108 -15.906 1.203 469 2HD1 ILE 52 2HD1 ILE 52 20.808 -16.416 1.338 470 3HD1 ILE 52 3HD1 ILE 52 20.395 -14.914 0.477 471 MG ILE 52 MG ILE 52 18.141 -14.571 -1.113 472 MD ILE 52 MD ILE 52 20.103 -15.745 1.006 473 QG ILE 52 QG ILE 52 20.384 -17.133 -0.836 474 H LEU 53 H LEU 53 16.393 -18.103 -3.040 475 HA LEU 53 HA LEU 53 14.407 -16.125 -3.224 476 1HB LEU 53 1HB LEU 53 15.278 -18.501 -4.686 477 2HB LEU 53 2HB LEU 53 13.543 -18.258 -4.751 478 HG LEU 53 HG LEU 53 15.645 -16.228 -5.558 479 1HD1 LEU 53 1HD1 LEU 53 15.222 -18.348 -6.999 480 2HD1 LEU 53 2HD1 LEU 53 13.695 -17.543 -7.431 481 3HD1 LEU 53 3HD1 LEU 53 15.250 -16.749 -7.780 482 1HD2 LEU 53 1HD2 LEU 53 12.936 -15.838 -4.793 483 2HD2 LEU 53 2HD2 LEU 53 14.085 -14.658 -5.468 484 3HD2 LEU 53 3HD2 LEU 53 13.041 -15.606 -6.554 485 MD1 LEU 53 MD1 LEU 53 14.722 -17.547 -7.403 486 MD2 LEU 53 MD2 LEU 53 13.354 -15.367 -5.605 487 QB LEU 53 QB LEU 53 14.410 -18.380 -4.718 488 QD LEU 53 QD LEU 53 14.038 -16.457 -6.504 489 H GLY 54 H GLY 54 14.417 -19.518 -1.992 490 1HA GLY 54 1HA GLY 54 11.784 -19.982 -1.556 491 2HA GLY 54 2HA GLY 54 13.062 -20.494 -0.472 492 QA GLY 54 QA GLY 54 12.423 -20.238 -1.014 493 H LYS 55 H LYS 55 14.012 -18.060 0.573 494 HA LYS 55 HA LYS 55 12.103 -17.553 2.547 495 1HB LYS 55 1HB LYS 55 14.727 -16.325 1.746 496 2HB LYS 55 2HB LYS 55 13.735 -15.534 2.954 497 1HG LYS 55 1HG LYS 55 13.861 -18.404 3.487 498 2HG LYS 55 2HG LYS 55 15.479 -17.751 3.337 499 1HD LYS 55 2HD LYS 55 14.439 -15.805 4.896 500 2HD LYS 55 1HD LYS 55 15.148 -17.259 5.569 501 1HE LYS 55 1HE LYS 55 12.424 -16.336 5.792 502 2HE LYS 55 2HE LYS 55 12.397 -17.843 4.899 503 QB LYS 55 QB LYS 55 14.231 -15.929 2.350 504 QD LYS 55 QD LYS 55 14.793 -16.532 5.232 505 QG LYS 55 QG LYS 55 14.670 -18.077 3.412 506 QE LYS 55 QE LYS 55 12.411 -17.090 5.346 507 QZ LYS 55 QZ LYS 55 13.444 -17.804 7.369 508 H ILE 56 H ILE 56 13.027 -15.780 -0.455 509 HA ILE 56 HA ILE 56 11.473 -13.529 -0.009 510 HB ILE 56 HB ILE 56 12.447 -14.912 -2.497 511 1HG1 ILE 56 1HG1 ILE 56 13.378 -12.638 -0.775 512 2HG1 ILE 56 2HG1 ILE 56 14.279 -14.003 -1.403 513 1HG2 ILE 56 1HG2 ILE 56 10.375 -13.750 -3.080 514 2HG2 ILE 56 2HG2 ILE 56 10.999 -12.254 -2.343 515 3HG2 ILE 56 3HG2 ILE 56 11.795 -12.937 -3.781 516 1HD1 ILE 56 1HD1 ILE 56 14.090 -13.075 -3.713 517 2HD1 ILE 56 2HD1 ILE 56 13.191 -11.682 -3.064 518 3HD1 ILE 56 3HD1 ILE 56 14.893 -11.935 -2.606 519 MG ILE 56 MG ILE 56 11.056 -12.980 -3.068 520 MD ILE 56 MD ILE 56 14.058 -12.231 -3.128 521 QG ILE 56 QG ILE 56 13.829 -13.320 -1.089 522 H TRP 57 H TRP 57 10.660 -16.548 -1.864 523 HA TRP 57 HA TRP 57 8.054 -15.856 -2.453 524 1HB TRP 57 1HB TRP 57 9.392 -17.759 -3.378 525 2HB TRP 57 2HB TRP 57 9.099 -18.634 -1.888 526 HD1 TRP 57 HD1 TRP 57 6.394 -19.247 -1.395 527 HE1 TRP 57 HE1 TRP 57 4.395 -19.827 -3.017 528 HE3 TRP 57 HE3 TRP 57 8.514 -17.259 -5.567 529 HZ2 TRP 57 HZ2 TRP 57 3.935 -19.398 -5.801 530 HZ3 TRP 57 HZ3 TRP 57 7.223 -17.381 -7.696 531 HH2 TRP 57 HH2 TRP 57 5.009 -18.404 -7.855 532 QB TRP 57 QB TRP 57 9.245 -18.197 -2.633 533 H ASP 58 H ASP 58 9.363 -17.806 0.328 534 HA ASP 58 HA ASP 58 7.099 -18.337 1.624 535 1HB ASP 58 1HB ASP 58 9.651 -18.699 2.240 536 2HB ASP 58 2HB ASP 58 9.460 -17.228 3.173 537 HD2 ASP 58 HD2 ASP 58 9.008 -20.523 3.235 538 QB ASP 58 QB ASP 58 9.556 -17.964 2.707 539 H LEU 59 H LEU 59 8.985 -15.251 1.617 540 HA LEU 59 HA LEU 59 7.240 -13.989 3.501 541 1HB LEU 59 1HB LEU 59 9.545 -13.390 3.481 542 2HB LEU 59 2HB LEU 59 9.509 -13.025 1.767 543 HG LEU 59 HG LEU 59 9.524 -11.084 3.469 544 1HD1 LEU 59 1HD1 LEU 59 9.036 -11.059 0.936 545 2HD1 LEU 59 2HD1 LEU 59 7.333 -10.865 1.415 546 3HD1 LEU 59 3HD1 LEU 59 8.541 -9.656 1.914 547 1HD2 LEU 59 1HD2 LEU 59 7.394 -12.313 4.571 548 2HD2 LEU 59 2HD2 LEU 59 7.703 -10.565 4.699 549 3HD2 LEU 59 3HD2 LEU 59 6.561 -11.181 3.480 550 MD1 LEU 59 MD1 LEU 59 8.303 -10.527 1.422 551 MD2 LEU 59 MD2 LEU 59 7.219 -11.353 4.250 552 QB LEU 59 QB LEU 59 9.527 -13.207 2.624 553 QD LEU 59 QD LEU 59 7.761 -10.940 2.836 554 H ALA 60 H ALA 60 7.471 -14.377 -0.016 555 HA ALA 60 HA ALA 60 5.811 -12.207 -0.696 556 1HB ALA 60 2HB ALA 60 5.763 -14.597 -2.441 557 2HB ALA 60 3HB ALA 60 6.233 -12.921 -2.810 558 3HB ALA 60 1HB ALA 60 7.395 -14.019 -2.027 559 MB ALA 60 MB ALA 60 6.464 -13.846 -2.426 560 H ASP 61 H ASP 61 5.109 -15.778 -0.567 561 HA ASP 61 HA ASP 61 2.535 -15.806 -1.062 562 1HB ASP 61 1HB ASP 61 3.962 -17.753 -0.316 563 2HB ASP 61 2HB ASP 61 3.798 -17.209 1.341 564 HD2 ASP 61 HD2 ASP 61 0.606 -18.746 -0.531 565 QB ASP 61 QB ASP 61 3.880 -17.481 0.512 566 H THR 62 H THR 62 0.597 -15.056 -0.111 567 HA THR 62 HA THR 62 0.380 -14.507 2.664 568 HB THR 62 HB THR 62 1.108 -12.295 0.742 569 HG1 THR 62 HG1 THR 62 2.545 -13.067 2.433 570 1HG2 THR 62 1HG2 THR 62 -1.111 -12.197 2.752 571 2HG2 THR 62 2HG2 THR 62 0.113 -10.913 2.900 572 3HG2 THR 62 3HG2 THR 62 -0.785 -11.115 1.376 573 MG THR 62 MG THR 62 -0.594 -11.408 2.343 574 H ASP 63 H ASP 63 -0.820 -13.924 -0.676 575 HA ASP 63 HA ASP 63 -3.466 -13.562 0.212 576 1HB ASP 63 1HB ASP 63 -2.126 -13.062 -2.119 577 2HB ASP 63 2HB ASP 63 -2.923 -14.557 -2.567 578 HD2 ASP 63 HD2 ASP 63 -5.920 -13.810 -2.185 579 QB ASP 63 QB ASP 63 -2.524 -13.809 -2.343 580 H GLY 64 H GLY 64 -1.845 -16.168 -1.773 581 1HA GLY 64 1HA GLY 64 -2.858 -18.320 -0.266 582 2HA GLY 64 2HA GLY 64 -3.928 -18.028 -1.623 583 QA GLY 64 QA GLY 64 -3.393 -18.174 -0.945 584 H LYS 65 H LYS 65 -1.179 -19.704 -0.619 585 HA LYS 65 HA LYS 65 0.609 -19.576 -2.667 586 1HB LYS 65 1HB LYS 65 0.541 -20.963 -0.444 587 2HB LYS 65 2HB LYS 65 -0.139 -22.224 -1.453 588 1HG LYS 65 1HG LYS 65 2.095 -21.109 -2.883 589 2HG LYS 65 2HG LYS 65 2.623 -21.384 -1.235 590 1HD LYS 65 1HD LYS 65 1.009 -23.622 -2.305 591 2HD LYS 65 2HD LYS 65 2.458 -23.324 -3.244 592 1HE LYS 65 1HE LYS 65 3.883 -23.913 -1.508 593 2HE LYS 65 2HE LYS 65 2.809 -23.298 -0.267 594 QB LYS 65 QB LYS 65 0.201 -21.593 -0.949 595 QD LYS 65 QD LYS 65 1.733 -23.473 -2.774 596 QG LYS 65 QG LYS 65 2.359 -21.246 -2.059 597 QE LYS 65 QE LYS 65 3.346 -23.606 -0.888 598 QZ LYS 65 QZ LYS 65 1.877 -25.531 -1.220 599 H GLY 66 H GLY 66 0.990 -21.221 -4.465 600 1HA GLY 66 1HA GLY 66 0.241 -22.514 -6.199 601 2HA GLY 66 2HA GLY 66 -1.401 -22.410 -5.595 602 QA GLY 66 QA GLY 66 -0.580 -22.462 -5.897 603 H VAL 67 H VAL 67 -0.762 -19.289 -5.339 604 HA VAL 67 HA VAL 67 -0.695 -18.547 -8.123 605 HB VAL 67 HB VAL 67 -3.127 -17.839 -6.486 606 1HG1 VAL 67 1HG1 VAL 67 -2.214 -16.515 -8.584 607 2HG1 VAL 67 2HG1 VAL 67 -2.998 -17.836 -9.483 608 3HG1 VAL 67 3HG1 VAL 67 -3.956 -16.820 -8.379 609 1HG2 VAL 67 1HG2 VAL 67 -2.845 -20.070 -8.528 610 2HG2 VAL 67 2HG2 VAL 67 -3.133 -20.263 -6.782 611 3HG2 VAL 67 3HG2 VAL 67 -4.374 -19.509 -7.811 612 MG1 VAL 67 MG1 VAL 67 -3.056 -17.057 -8.815 613 MG2 VAL 67 MG2 VAL 67 -3.451 -19.948 -7.707 614 QG VAL 67 QG VAL 67 -3.253 -18.502 -8.261 615 H LEU 68 H LEU 68 -0.298 -16.263 -8.399 616 HA LEU 68 HA LEU 68 0.640 -15.039 -5.905 617 1HB LEU 68 1HB LEU 68 1.512 -14.677 -8.772 618 2HB LEU 68 2HB LEU 68 2.048 -13.655 -7.453 619 HG LEU 68 HG LEU 68 2.589 -16.608 -7.827 620 1HD1 LEU 68 1HD1 LEU 68 3.916 -14.782 -9.075 621 2HD1 LEU 68 2HD1 LEU 68 4.629 -14.421 -7.485 622 3HD1 LEU 68 3HD1 LEU 68 4.816 -16.041 -8.197 623 1HD2 LEU 68 1HD2 LEU 68 2.989 -14.863 -5.402 624 2HD2 LEU 68 2HD2 LEU 68 2.247 -16.476 -5.519 625 3HD2 LEU 68 3HD2 LEU 68 4.007 -16.290 -5.710 626 MD1 LEU 68 MD1 LEU 68 4.454 -15.082 -8.253 627 MD2 LEU 68 MD2 LEU 68 3.081 -15.877 -5.544 628 QB LEU 68 QB LEU 68 1.780 -14.166 -8.112 629 QD LEU 68 QD LEU 68 3.767 -15.479 -6.898 630 H SER 69 H SER 69 0.477 -12.576 -5.871 631 HA SER 69 HA SER 69 -2.054 -11.838 -7.122 632 1HB SER 69 2HB SER 69 -2.516 -10.422 -5.171 633 2HB SER 69 1HB SER 69 -0.945 -10.785 -4.484 634 HG SER 69 HG SER 69 -2.866 -12.860 -5.070 635 QB SER 69 QB SER 69 -1.731 -10.603 -4.828 636 H LYS 70 H LYS 70 -2.086 -9.104 -6.683 637 HA LYS 70 HA LYS 70 -0.335 -8.165 -8.635 638 1HB LYS 70 1HB LYS 70 -1.113 -5.886 -7.659 639 2HB LYS 70 2HB LYS 70 -2.279 -6.937 -8.436 640 1HG LYS 70 1HG LYS 70 -1.934 -7.482 -5.536 641 2HG LYS 70 2HG LYS 70 -2.536 -5.873 -5.881 642 1HD LYS 70 1HD LYS 70 -3.769 -8.290 -7.245 643 2HD LYS 70 2HD LYS 70 -4.250 -7.857 -5.617 644 1HE LYS 70 1HE LYS 70 -4.198 -5.575 -7.538 645 2HE LYS 70 2HE LYS 70 -5.381 -6.813 -7.912 646 QB LYS 70 QB LYS 70 -1.696 -6.411 -8.047 647 QD LYS 70 QD LYS 70 -4.009 -8.073 -6.431 648 QG LYS 70 QG LYS 70 -2.235 -6.677 -5.708 649 QE LYS 70 QE LYS 70 -4.790 -6.194 -7.725 650 QZ LYS 70 QZ LYS 70 -6.245 -5.997 -5.931 651 H GLN 71 H GLN 71 -0.305 -6.325 -5.616 652 HA GLN 71 HA GLN 71 2.223 -5.607 -5.646 653 1HB GLN 71 1HB GLN 71 0.430 -6.307 -3.308 654 2HB GLN 71 2HB GLN 71 2.060 -5.735 -3.017 655 1HG GLN 71 1HG GLN 71 1.640 -3.616 -3.993 656 2HG GLN 71 2HG GLN 71 0.273 -4.200 -4.921 657 2HE2 GLN 71 1HE2 GLN 71 1.281 -2.596 -2.166 658 1HE2 GLN 71 2HE2 GLN 71 -0.195 -2.570 -1.260 659 QB GLN 71 QB GLN 71 1.245 -6.021 -3.163 660 QG GLN 71 QG GLN 71 0.956 -3.908 -4.457 661 QE GLN 71 QE GLN 71 0.543 -2.583 -1.713 662 H GLU 72 H GLU 72 1.005 -8.814 -4.616 663 HA GLU 72 HA GLU 72 3.131 -9.818 -3.326 664 1HB GLU 72 1HB GLU 72 0.959 -10.923 -5.015 665 2HB GLU 72 2HB GLU 72 2.360 -11.969 -4.901 666 1HG GLU 72 1HG GLU 72 1.932 -11.003 -2.259 667 2HG GLU 72 2HG GLU 72 0.336 -11.378 -2.876 668 HE2 GLU 72 HE2 GLU 72 -0.167 -13.339 -2.436 669 QB GLU 72 QB GLU 72 1.660 -11.446 -4.958 670 QG GLU 72 QG GLU 72 1.134 -11.190 -2.568 671 H PHE 73 H PHE 73 2.657 -10.778 -6.785 672 HA PHE 73 HA PHE 73 5.298 -11.439 -7.199 673 1HB PHE 73 1HB PHE 73 3.609 -12.177 -8.756 674 2HB PHE 73 2HB PHE 73 2.909 -10.575 -8.887 675 HD1 PHE 73 HD1 PHE 73 4.472 -8.761 -9.986 676 HD2 PHE 73 HD2 PHE 73 4.956 -12.949 -10.472 677 HE1 PHE 73 HE1 PHE 73 5.769 -8.366 -12.098 678 HE2 PHE 73 HE2 PHE 73 6.253 -12.554 -12.584 679 HZ PHE 73 HZ PHE 73 6.644 -10.267 -13.372 680 QB PHE 73 QB PHE 73 3.259 -11.376 -8.821 681 QD PHE 73 QD PHE 73 4.714 -10.855 -10.229 682 QE PHE 73 QE PHE 73 6.011 -10.460 -12.341 683 QR PHE 73 QR PHE 73 5.363 -10.657 -11.285 684 H PHE 74 H PHE 74 3.721 -8.282 -7.165 685 HA PHE 74 HA PHE 74 5.820 -7.010 -8.654 686 1HB PHE 74 1HB PHE 74 3.154 -6.471 -7.497 687 2HB PHE 74 2HB PHE 74 4.250 -5.157 -7.119 688 HD1 PHE 74 HD1 PHE 74 3.149 -7.225 -10.024 689 HD2 PHE 74 HD2 PHE 74 4.503 -3.445 -8.653 690 HE1 PHE 74 HE1 PHE 74 2.785 -6.264 -12.314 691 HE2 PHE 74 HE2 PHE 74 4.139 -2.483 -10.942 692 HZ PHE 74 HZ PHE 74 3.284 -3.905 -12.746 693 QB PHE 74 QB PHE 74 3.702 -5.814 -7.308 694 QD PHE 74 QD PHE 74 3.826 -5.335 -9.339 695 QE PHE 74 QE PHE 74 3.462 -4.374 -11.628 696 QR PHE 74 QR PHE 74 3.644 -4.854 -10.484 697 H VAL 75 H VAL 75 5.695 -8.331 -5.587 698 HA VAL 75 HA VAL 75 7.309 -6.179 -4.422 699 HB VAL 75 HB VAL 75 5.444 -8.232 -3.376 700 1HG1 VAL 75 1HG1 VAL 75 7.907 -7.346 -1.837 701 2HG1 VAL 75 2HG1 VAL 75 6.491 -8.149 -1.116 702 3HG1 VAL 75 3HG1 VAL 75 7.482 -9.005 -2.322 703 1HG2 VAL 75 1HG2 VAL 75 4.987 -5.749 -3.551 704 2HG2 VAL 75 2HG2 VAL 75 4.731 -6.463 -1.941 705 3HG2 VAL 75 3HG2 VAL 75 6.199 -5.513 -2.270 706 MG1 VAL 75 MG1 VAL 75 7.293 -8.167 -1.758 707 MG2 VAL 75 MG2 VAL 75 5.306 -5.908 -2.587 708 QG VAL 75 QG VAL 75 6.300 -7.037 -2.173 709 H ALA 76 H ALA 76 7.151 -9.782 -4.832 710 HA ALA 76 HA ALA 76 9.696 -10.310 -3.871 711 1HB ALA 76 2HB ALA 76 9.341 -12.302 -5.644 712 2HB ALA 76 3HB ALA 76 8.438 -12.219 -4.113 713 3HB ALA 76 1HB ALA 76 7.681 -11.660 -5.623 714 MB ALA 76 MB ALA 76 8.487 -12.060 -5.127 715 H LEU 77 H LEU 77 8.567 -8.974 -6.956 716 HA LEU 77 HA LEU 77 10.699 -9.553 -8.581 717 1HB LEU 77 1HB LEU 77 8.439 -7.834 -8.571 718 2HB LEU 77 2HB LEU 77 9.823 -6.870 -9.045 719 HG LEU 77 HG LEU 77 8.932 -9.448 -10.367 720 1HD1 LEU 77 1HD1 LEU 77 7.669 -7.084 -10.594 721 2HD1 LEU 77 2HD1 LEU 77 8.921 -6.873 -11.841 722 3HD1 LEU 77 3HD1 LEU 77 7.806 -8.258 -11.925 723 1HD2 LEU 77 1HD2 LEU 77 11.487 -8.356 -10.323 724 2HD2 LEU 77 2HD2 LEU 77 10.846 -9.529 -11.498 725 3HD2 LEU 77 3HD2 LEU 77 10.797 -7.788 -11.863 726 MD1 LEU 77 MD1 LEU 77 8.132 -7.405 -11.453 727 MD2 LEU 77 MD2 LEU 77 11.043 -8.558 -11.228 728 QB LEU 77 QB LEU 77 9.131 -7.352 -8.808 729 QD LEU 77 QD LEU 77 9.588 -7.981 -11.341 730 H ARG 78 H ARG 78 10.301 -6.356 -6.903 731 HA ARG 78 HA ARG 78 12.942 -5.679 -7.257 732 1HB ARG 78 1HB ARG 78 10.847 -4.754 -5.238 733 2HB ARG 78 2HB ARG 78 12.433 -4.014 -5.327 734 1HG ARG 78 1HG ARG 78 10.591 -4.261 -7.748 735 2HG ARG 78 2HG ARG 78 10.578 -2.866 -6.687 736 1HD ARG 78 1HD ARG 78 12.169 -2.058 -8.136 737 2HD ARG 78 2HD ARG 78 13.268 -3.033 -7.180 738 HE ARG 78 HE ARG 78 12.487 -4.885 -8.976 739 1HH1 ARG 78 1HH1 ARG 78 13.357 -1.493 -9.515 740 2HH1 ARG 78 2HH1 ARG 78 13.929 -1.767 -11.127 741 2HH2 ARG 78 HH2 ARG 78 13.852 -3.982 -12.039 742 QB ARG 78 QB ARG 78 11.640 -4.384 -5.283 743 QG ARG 78 QG ARG 78 10.585 -3.563 -7.217 744 QD ARG 78 QD ARG 78 12.718 -2.546 -7.658 745 QH1 ARG 78 QH1 ARG 78 13.643 -1.630 -10.321 746 H LEU 79 H LEU 79 11.215 -7.310 -4.545 747 HA LEU 79 HA LEU 79 13.084 -7.232 -2.584 748 1HB LEU 79 1HB LEU 79 10.720 -8.336 -2.786 749 2HB LEU 79 2HB LEU 79 11.630 -9.783 -3.172 750 HG LEU 79 HG LEU 79 11.698 -8.179 -0.611 751 1HD1 LEU 79 1HD1 LEU 79 10.066 -10.251 -1.396 752 2HD1 LEU 79 2HD1 LEU 79 11.350 -11.085 -0.488 753 3HD1 LEU 79 3HD1 LEU 79 10.420 -9.777 0.283 754 1HD2 LEU 79 1HD2 LEU 79 13.683 -10.154 -1.679 755 2HD2 LEU 79 2HD2 LEU 79 13.943 -8.654 -0.756 756 3HD2 LEU 79 3HD2 LEU 79 13.336 -10.111 0.067 757 MD1 LEU 79 MD1 LEU 79 10.612 -10.371 -0.534 758 MD2 LEU 79 MD2 LEU 79 13.654 -9.640 -0.789 759 QB LEU 79 QB LEU 79 11.175 -9.060 -2.979 760 QD LEU 79 QD LEU 79 12.133 -10.005 -0.662 761 H VAL 80 H VAL 80 13.042 -9.303 -5.522 762 HA VAL 80 HA VAL 80 15.160 -10.955 -4.809 763 HB VAL 80 HB VAL 80 14.143 -9.979 -7.481 764 1HG1 VAL 80 1HG1 VAL 80 16.580 -10.846 -7.412 765 2HG1 VAL 80 2HG1 VAL 80 15.850 -12.440 -7.104 766 3HG1 VAL 80 3HG1 VAL 80 15.462 -11.558 -8.600 767 1HG2 VAL 80 1HG2 VAL 80 12.925 -11.608 -5.630 768 2HG2 VAL 80 2HG2 VAL 80 12.593 -11.605 -7.379 769 3HG2 VAL 80 3HG2 VAL 80 13.735 -12.785 -6.692 770 MG1 VAL 80 MG1 VAL 80 15.964 -11.614 -7.705 771 MG2 VAL 80 MG2 VAL 80 13.084 -11.999 -6.567 772 QG VAL 80 QG VAL 80 14.524 -11.807 -7.136 773 H ALA 81 H ALA 81 15.072 -7.725 -6.417 774 HA ALA 81 HA ALA 81 17.779 -7.577 -7.020 775 1HB ALA 81 1HB ALA 81 15.439 -5.883 -7.014 776 2HB ALA 81 2HB ALA 81 16.825 -4.982 -6.352 777 3HB ALA 81 3HB ALA 81 16.934 -5.724 -7.966 778 MB ALA 81 MB ALA 81 16.399 -5.530 -7.111 779 H CYS 82 H CYS 82 16.123 -7.603 -3.967 780 HA CYS 82 HA CYS 82 17.970 -6.017 -2.539 781 1HB CYS 82 1HB CYS 82 15.507 -6.884 -1.962 782 2HB CYS 82 2HB CYS 82 16.401 -8.162 -1.163 783 HG CYS 82 HG CYS 82 16.465 -6.661 0.645 784 QB CYS 82 QB CYS 82 15.954 -7.523 -1.563 785 H ALA 83 H ALA 83 17.318 -9.604 -2.408 786 HA ALA 83 HA ALA 83 19.635 -10.295 -1.103 787 1HB ALA 83 1HB ALA 83 17.669 -11.670 -2.909 788 2HB ALA 83 3HB ALA 83 18.075 -11.997 -1.207 789 3HB ALA 83 2HB ALA 83 19.178 -12.522 -2.502 790 MB ALA 83 MB ALA 83 18.307 -12.063 -2.206 791 H GLN 84 H GLN 84 19.163 -9.160 -4.376 792 HA GLN 84 HA GLN 84 21.417 -10.402 -5.488 793 1HB GLN 84 1HB GLN 84 19.803 -7.948 -6.290 794 2HB GLN 84 2HB GLN 84 21.131 -8.558 -7.256 795 1HG GLN 84 1HG GLN 84 19.324 -10.738 -6.504 796 2HG GLN 84 2HG GLN 84 18.437 -9.450 -7.295 797 2HE2 GLN 84 1HE2 GLN 84 19.994 -8.412 -9.125 798 1HE2 GLN 84 2HE2 GLN 84 20.531 -9.561 -10.305 799 QB GLN 84 QB GLN 84 20.467 -8.253 -6.773 800 QG GLN 84 QG GLN 84 18.881 -10.094 -6.900 801 QE GLN 84 QE GLN 84 20.262 -8.987 -9.715 802 H ASN 85 H ASN 85 21.046 -7.889 -3.175 803 HA ASN 85 HA ASN 85 23.650 -6.803 -3.887 804 1HB ASN 85 1HB ASN 85 21.783 -5.146 -3.656 805 2HB ASN 85 2HB ASN 85 21.478 -5.706 -2.024 806 2HD2 ASN 85 1HD2 ASN 85 24.129 -4.538 -4.091 807 1HD2 ASN 85 2HD2 ASN 85 24.922 -3.559 -2.902 808 QB ASN 85 QB ASN 85 21.631 -5.426 -2.840 809 QD ASN 85 QD ASN 85 24.526 -4.049 -3.497 810 H GLY 86 H GLY 86 22.128 -9.101 -1.944 811 1HA GLY 86 1HA GLY 86 23.147 -10.415 -0.354 812 2HA GLY 86 2HA GLY 86 24.369 -9.188 -0.089 813 QA GLY 86 QA GLY 86 23.758 -9.802 -0.221 814 H LEU 87 H LEU 87 21.220 -7.798 -0.217 815 HA LEU 87 HA LEU 87 21.340 -7.216 2.585 816 1HB LEU 87 1HB LEU 87 19.379 -6.478 0.410 817 2HB LEU 87 2HB LEU 87 19.262 -5.923 2.068 818 HG LEU 87 HG LEU 87 21.702 -5.410 0.357 819 1HD1 LEU 87 1HD1 LEU 87 19.050 -4.176 0.206 820 2HD1 LEU 87 2HD1 LEU 87 20.362 -3.007 0.488 821 3HD1 LEU 87 3HD1 LEU 87 20.426 -4.095 -0.920 822 1HD2 LEU 87 1HD2 LEU 87 21.772 -5.236 2.909 823 2HD2 LEU 87 2HD2 LEU 87 22.336 -3.832 1.971 824 3HD2 LEU 87 3HD2 LEU 87 20.721 -3.811 2.720 825 MD1 LEU 87 MD1 LEU 87 19.946 -3.759 -0.075 826 MD2 LEU 87 MD2 LEU 87 21.610 -4.293 2.533 827 QB LEU 87 QB LEU 87 19.320 -6.201 1.239 828 QD LEU 87 QD LEU 87 20.778 -4.026 1.229 829 H GLU 88 H GLU 88 18.881 -7.269 3.628 830 HA GLU 88 HA GLU 88 18.531 -9.932 4.240 831 1HB GLU 88 1HB GLU 88 17.648 -7.518 5.252 832 2HB GLU 88 2HB GLU 88 16.157 -8.183 4.615 833 1HG GLU 88 1HG GLU 88 16.564 -8.847 6.999 834 2HG GLU 88 2HG GLU 88 16.420 -10.229 5.932 835 HE2 GLU 88 HE2 GLU 88 18.526 -8.456 7.871 836 QB GLU 88 QB GLU 88 16.902 -7.851 4.934 837 QG GLU 88 QG GLU 88 16.492 -9.538 6.465 838 H VAL 89 H VAL 89 16.398 -11.195 3.975 839 HA VAL 89 HA VAL 89 15.546 -10.907 1.183 840 HB VAL 89 HB VAL 89 15.221 -13.343 2.921 841 1HG1 VAL 89 1HG1 VAL 89 15.234 -12.800 -0.055 842 2HG1 VAL 89 2HG1 VAL 89 15.429 -14.438 0.614 843 3HG1 VAL 89 3HG1 VAL 89 13.943 -13.513 0.942 844 1HG2 VAL 89 1HG2 VAL 89 17.671 -12.481 1.361 845 2HG2 VAL 89 2HG2 VAL 89 17.559 -12.931 3.079 846 3HG2 VAL 89 3HG2 VAL 89 17.354 -14.171 1.819 847 MG1 VAL 89 MG1 VAL 89 14.869 -13.584 0.500 848 MG2 VAL 89 MG2 VAL 89 17.528 -13.195 2.086 849 QG VAL 89 QG VAL 89 16.199 -13.389 1.293 850 H SER 90 H SER 90 14.623 -10.301 4.407 851 HA SER 90 HA SER 90 11.834 -10.816 3.863 852 1HB SER 90 2HB SER 90 11.481 -10.297 6.236 853 2HB SER 90 1HB SER 90 13.120 -9.698 6.391 854 HG SER 90 HG SER 90 13.517 -12.102 5.456 855 QB SER 90 QB SER 90 12.300 -9.997 6.314 856 H LEU 91 H LEU 91 10.252 -9.151 3.707 857 HA LEU 91 HA LEU 91 11.045 -6.769 2.570 858 1HB LEU 91 1HB LEU 91 8.545 -7.911 3.669 859 2HB LEU 91 2HB LEU 91 8.589 -6.166 3.514 860 HG LEU 91 HG LEU 91 9.316 -7.962 1.200 861 1HD1 LEU 91 1HD1 LEU 91 6.854 -8.092 2.420 862 2HD1 LEU 91 2HD1 LEU 91 6.596 -6.875 1.147 863 3HD1 LEU 91 3HD1 LEU 91 7.201 -8.494 0.721 864 1HD2 LEU 91 1HD2 LEU 91 9.141 -5.113 1.637 865 2HD2 LEU 91 2HD2 LEU 91 9.756 -6.015 0.232 866 3HD2 LEU 91 3HD2 LEU 91 8.024 -5.620 0.347 867 MD1 LEU 91 MD1 LEU 91 6.883 -7.821 1.429 868 MD2 LEU 91 MD2 LEU 91 8.974 -5.583 0.739 869 QB LEU 91 QB LEU 91 8.567 -7.038 3.591 870 QD LEU 91 QD LEU 91 7.929 -6.702 1.084 871 H SER 92 H SER 92 10.901 -7.753 5.941 872 HA SER 92 HA SER 92 10.546 -5.343 7.161 873 1HB SER 92 1HB SER 92 12.312 -7.695 7.964 874 2HB SER 92 2HB SER 92 11.936 -6.362 9.037 875 HG SER 92 HG SER 92 10.046 -7.262 9.459 876 QB SER 92 QB SER 92 12.124 -7.029 8.501 877 H SER 93 H SER 93 13.164 -6.434 5.146 878 HA SER 93 HA SER 93 14.747 -4.163 6.068 879 1HB SER 93 1HB SER 93 15.502 -6.874 5.973 880 2HB SER 93 2HB SER 93 16.249 -6.179 4.548 881 HG SER 93 HG SER 93 17.488 -6.089 6.657 882 QB SER 93 QB SER 93 15.876 -6.527 5.260 883 H LEU 94 H LEU 94 12.541 -4.211 4.078 884 HA LEU 94 HA LEU 94 14.079 -3.750 1.621 885 1HB LEU 94 1HB LEU 94 11.382 -4.842 2.192 886 2HB LEU 94 2HB LEU 94 11.522 -3.803 0.787 887 HG LEU 94 HG LEU 94 11.745 -6.175 0.215 888 1HD1 LEU 94 1HD1 LEU 94 13.886 -4.193 -0.315 889 2HD1 LEU 94 2HD1 LEU 94 14.241 -5.882 -0.750 890 3HD1 LEU 94 3HD1 LEU 94 12.815 -5.067 -1.437 891 1HD2 LEU 94 1HD2 LEU 94 13.643 -6.147 2.446 892 2HD2 LEU 94 2HD2 LEU 94 12.729 -7.494 1.725 893 3HD2 LEU 94 3HD2 LEU 94 14.263 -6.966 0.993 894 MD1 LEU 94 MD1 LEU 94 13.647 -5.048 -0.834 895 MD2 LEU 94 MD2 LEU 94 13.545 -6.869 1.721 896 QB LEU 94 QB LEU 94 11.452 -4.322 1.490 897 QD LEU 94 QD LEU 94 13.596 -5.958 0.444 898 H SER 95 H SER 95 12.541 -2.055 0.204 899 HA SER 95 HA SER 95 11.791 -0.017 -0.003 900 1HB SER 95 1HB SER 95 10.541 1.037 1.657 901 2HB SER 95 2HB SER 95 10.494 -0.624 2.215 902 HG SER 95 HG SER 95 12.217 1.498 3.162 903 QB SER 95 QB SER 95 10.517 0.207 1.936 904 H LEU 96 H LEU 96 14.622 -0.755 0.272 905 HA LEU 96 HA LEU 96 15.681 1.758 1.366 906 1HB LEU 96 2HB LEU 96 17.519 0.686 2.154 907 2HB LEU 96 1HB LEU 96 17.463 -0.575 0.938 908 HG LEU 96 HG LEU 96 15.372 -1.433 2.202 909 1HD1 LEU 96 1HD1 LEU 96 18.248 -1.711 2.876 910 2HD1 LEU 96 2HD1 LEU 96 17.084 -2.361 4.055 911 3HD1 LEU 96 3HD1 LEU 96 17.056 -2.932 2.370 912 1HD2 LEU 96 1HD2 LEU 96 15.114 0.626 3.582 913 2HD2 LEU 96 2HD2 LEU 96 15.185 -0.880 4.529 914 3HD2 LEU 96 3HD2 LEU 96 16.609 0.185 4.443 915 MD1 LEU 96 MD1 LEU 96 17.463 -2.334 3.100 916 MD2 LEU 96 MD2 LEU 96 15.636 -0.023 4.185 917 QB LEU 96 QB LEU 96 17.491 0.056 1.546 918 QD LEU 96 QD LEU 96 16.549 -1.179 3.643 919 H ALA 97 H ALA 97 18.265 1.481 0.118 920 HA ALA 97 HA ALA 97 17.465 2.210 -2.589 921 1HB ALA 97 2HB ALA 97 20.184 2.539 -1.281 922 2HB ALA 97 3HB ALA 97 19.509 3.430 -2.667 923 3HB ALA 97 1HB ALA 97 18.859 3.701 -1.032 924 MB ALA 97 MB ALA 97 19.517 3.223 -1.660 925 H VAL 98 H VAL 98 17.044 -0.330 -2.670 926 HA VAL 98 HA VAL 98 19.357 -1.956 -2.886 927 HB VAL 98 HB VAL 98 17.836 -3.651 -3.601 928 1HG1 VAL 98 1HG1 VAL 98 17.669 -2.383 -1.196 929 2HG1 VAL 98 2HG1 VAL 98 15.978 -2.285 -1.744 930 3HG1 VAL 98 3HG1 VAL 98 16.781 -3.868 -1.613 931 1HG2 VAL 98 1HG2 VAL 98 16.609 -2.138 -5.236 932 2HG2 VAL 98 2HG2 VAL 98 15.604 -3.301 -4.337 933 3HG2 VAL 98 3HG2 VAL 98 15.633 -1.588 -3.853 934 MG1 VAL 98 MG1 VAL 98 16.809 -2.845 -1.518 935 MG2 VAL 98 MG2 VAL 98 15.948 -2.342 -4.475 936 QG VAL 98 QG VAL 98 16.379 -2.594 -2.996 937 HA PRO 99 HA PRO 99 20.470 -1.050 -6.963 938 1HB PRO 99 1HB PRO 99 21.886 -3.291 -7.627 939 2HB PRO 99 2HB PRO 99 22.556 -1.981 -6.675 940 1HG PRO 99 1HG PRO 99 21.657 -4.651 -5.779 941 2HG PRO 99 2HG PRO 99 22.699 -3.509 -4.954 942 1HD PRO 99 1HD PRO 99 19.936 -4.032 -4.387 943 2HD PRO 99 2HD PRO 99 20.946 -2.810 -3.640 944 QB PRO 99 QB PRO 99 22.221 -2.636 -7.151 945 QG PRO 99 QG PRO 99 22.178 -4.080 -5.367 946 QD PRO 99 QD PRO 99 20.441 -3.421 -4.014 947 HA PRO 100 HA PRO 100 17.920 -2.812 -9.867 948 1HB PRO 100 1HB PRO 100 19.340 -2.843 -12.202 949 2HB PRO 100 2HB PRO 100 18.576 -1.401 -11.564 950 1HG PRO 100 2HG PRO 100 20.710 -0.555 -11.341 951 2HG PRO 100 1HG PRO 100 21.440 -2.131 -11.574 952 1HD PRO 100 1HD PRO 100 21.816 -2.250 -9.310 953 2HD PRO 100 2HD PRO 100 20.983 -0.729 -9.065 954 QB PRO 100 QB PRO 100 18.958 -2.122 -11.883 955 QG PRO 100 QG PRO 100 21.075 -1.343 -11.458 956 QD PRO 100 QD PRO 100 21.400 -1.490 -9.187 957 HA PRO 101 HA PRO 101 18.516 -7.020 -9.998 958 1HB PRO 101 1HB PRO 101 16.249 -7.795 -11.311 959 2HB PRO 101 2HB PRO 101 16.290 -7.448 -9.594 960 1HG PRO 101 1HG PRO 101 15.186 -5.806 -11.790 961 2HG PRO 101 2HG PRO 101 14.870 -5.694 -10.070 962 1HD PRO 101 1HD PRO 101 16.554 -3.966 -11.621 963 2HD PRO 101 2HD PRO 101 16.328 -3.926 -9.884 964 QB PRO 101 QB PRO 101 16.269 -7.621 -10.453 965 QG PRO 101 QG PRO 101 15.028 -5.750 -10.930 966 QD PRO 101 QD PRO 101 16.441 -3.946 -10.753 967 H ARG 102 H ARG 102 17.773 -8.877 -11.918 968 HA ARG 102 HA ARG 102 19.677 -8.055 -13.937 969 1HB ARG 102 1HB ARG 102 19.550 -10.373 -12.476 970 2HB ARG 102 2HB ARG 102 18.623 -10.866 -13.879 971 1HG ARG 102 1HG ARG 102 20.446 -10.499 -15.373 972 2HG ARG 102 2HG ARG 102 21.295 -9.470 -14.237 973 1HD ARG 102 1HD ARG 102 21.075 -11.859 -12.810 974 2HD ARG 102 2HD ARG 102 21.289 -12.429 -14.453 975 HE ARG 102 HE ARG 102 23.170 -10.305 -13.830 976 1HH1 ARG 102 1HH1 ARG 102 22.583 -13.770 -13.378 977 2HH1 ARG 102 2HH1 ARG 102 24.260 -14.154 -13.177 978 2HH2 ARG 102 HH2 ARG 102 25.888 -12.399 -13.291 979 QB ARG 102 QB ARG 102 19.086 -10.619 -13.177 980 QG ARG 102 QG ARG 102 20.871 -9.985 -14.805 981 QD ARG 102 QD ARG 102 21.182 -12.144 -13.632 982 QH1 ARG 102 QH1 ARG 102 23.422 -13.962 -13.278 983 H PHE 103 H PHE 103 16.301 -9.014 -13.374 984 HA PHE 103 HA PHE 103 15.367 -9.864 -15.710 985 1HB PHE 103 2HB PHE 103 13.283 -8.725 -15.038 986 2HB PHE 103 1HB PHE 103 14.175 -7.464 -14.212 987 HD1 PHE 103 HD1 PHE 103 13.793 -11.180 -14.096 988 HD2 PHE 103 HD2 PHE 103 14.292 -7.575 -11.914 989 HE1 PHE 103 HE1 PHE 103 13.604 -12.457 -11.944 990 HE2 PHE 103 HE2 PHE 103 14.102 -8.852 -9.762 991 HZ PHE 103 HZ PHE 103 13.761 -11.278 -9.802 992 QB PHE 103 QB PHE 103 13.729 -8.094 -14.625 993 QD PHE 103 QD PHE 103 14.042 -9.378 -13.005 994 QE PHE 103 QE PHE 103 13.853 -10.654 -10.853 995 QR PHE 103 QR PHE 103 13.948 -10.016 -11.929 996 H HIS 104 H HIS 104 14.205 -8.750 -17.542 997 HA HIS 104 HA HIS 104 15.973 -6.980 -18.809 998 1HB HIS 104 2HB HIS 104 14.624 -7.218 -20.664 999 2HB HIS 104 1HB HIS 104 13.143 -7.281 -19.729 1000 HD1 HIS 104 HD1 HIS 104 12.290 -9.581 -18.986 1001 HD2 HIS 104 HD2 HIS 104 16.087 -9.708 -20.764 1002 HE1 HIS 104 HE1 HIS 104 12.819 -12.048 -19.367 1003 QB HIS 104 QB HIS 104 13.884 -7.250 -20.197 1004 H ASP 105 H ASP 105 15.741 -4.745 -19.345 1005 HA ASP 105 HA ASP 105 13.523 -3.287 -18.449 1006 1HB ASP 105 1HB ASP 105 15.608 -3.749 -16.516 1007 2HB ASP 105 2HB ASP 105 15.713 -2.067 -16.997 1008 HD2 ASP 105 HD2 ASP 105 13.926 -4.296 -15.215 1009 QB ASP 105 QB ASP 105 15.660 -2.908 -16.757 No H/Q in entry = 1009 Start of MODEL 6 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.612 0.946 -1.303 3 1HB LEU 7 1HB LEU 7 2.736 -1.944 -0.645 4 2HB LEU 7 2HB LEU 7 3.232 -1.485 -2.262 5 HG LEU 7 HG LEU 7 4.377 0.033 0.050 6 1HD1 LEU 7 1HD1 LEU 7 4.690 -2.855 -0.355 7 2HD1 LEU 7 2HD1 LEU 7 6.229 -1.963 -0.311 8 3HD1 LEU 7 3HD1 LEU 7 5.088 -1.836 1.049 9 1HD2 LEU 7 1HD2 LEU 7 5.076 -0.565 -2.779 10 2HD2 LEU 7 2HD2 LEU 7 5.243 0.939 -1.842 11 3HD2 LEU 7 3HD2 LEU 7 6.419 -0.379 -1.626 12 MD1 LEU 7 MD1 LEU 7 5.336 -2.218 0.128 13 MD2 LEU 7 MD2 LEU 7 5.579 -0.002 -2.082 14 QB LEU 7 QB LEU 7 2.984 -1.715 -1.454 15 QD LEU 7 QD LEU 7 5.457 -1.110 -0.977 16 H SER 8 H SER 8 2.645 -0.387 -3.743 17 HA SER 8 HA SER 8 0.594 0.651 -5.062 18 1HB SER 8 2HB SER 8 1.585 -0.353 -6.835 19 2HB SER 8 1HB SER 8 1.211 -1.955 -6.230 20 HG SER 8 HG SER 8 3.481 -0.302 -5.530 21 QB SER 8 QB SER 8 1.398 -1.154 -6.533 22 H LEU 9 H LEU 9 -1.499 -0.042 -5.840 23 HA LEU 9 HA LEU 9 -3.170 -1.194 -4.079 24 1HB LEU 9 2HB LEU 9 -4.746 -1.336 -5.798 25 2HB LEU 9 1HB LEU 9 -3.533 -1.637 -7.026 26 HG LEU 9 HG LEU 9 -2.836 0.630 -7.060 27 1HD1 LEU 9 1HD1 LEU 9 -5.643 -0.047 -7.359 28 2HD1 LEU 9 2HD1 LEU 9 -5.421 1.673 -6.958 29 3HD1 LEU 9 3HD1 LEU 9 -4.596 0.975 -8.373 30 1HD2 LEU 9 1HD2 LEU 9 -3.106 0.761 -4.445 31 2HD2 LEU 9 2HD2 LEU 9 -3.166 2.228 -5.450 32 3HD2 LEU 9 3HD2 LEU 9 -4.675 1.491 -4.861 33 MD1 LEU 9 MD1 LEU 9 -5.220 0.867 -7.563 34 MD2 LEU 9 MD2 LEU 9 -3.649 1.493 -4.919 35 QB LEU 9 QB LEU 9 -4.139 -1.487 -6.412 36 QD LEU 9 QD LEU 9 -4.434 1.180 -6.241 37 H THR 10 H THR 10 -1.117 -2.867 -6.512 38 HA THR 10 HA THR 10 -2.164 -5.412 -6.259 39 HB THR 10 HB THR 10 0.637 -4.326 -6.824 40 HG1 THR 10 HG1 THR 10 -0.254 -5.140 -8.990 41 1HG2 THR 10 1HG2 THR 10 0.480 -6.856 -6.046 42 2HG2 THR 10 2HG2 THR 10 -0.349 -7.093 -7.603 43 3HG2 THR 10 3HG2 THR 10 1.320 -6.476 -7.569 44 MG THR 10 MG THR 10 0.484 -6.808 -7.073 45 H GLN 11 H GLN 11 0.667 -4.053 -4.435 46 HA GLN 11 HA GLN 11 0.859 -6.262 -2.782 47 1HB GLN 11 1HB GLN 11 2.107 -3.664 -3.062 48 2HB GLN 11 2HB GLN 11 1.790 -3.954 -1.363 49 1HG GLN 11 1HG GLN 11 3.107 -6.053 -3.138 50 2HG GLN 11 2HG GLN 11 4.040 -4.826 -2.306 51 2HE2 GLN 11 1HE2 GLN 11 3.481 -7.875 -2.113 52 1HE2 GLN 11 2HE2 GLN 11 3.309 -8.167 -0.414 53 QB GLN 11 QB GLN 11 1.949 -3.809 -2.213 54 QG GLN 11 QG GLN 11 3.573 -5.439 -2.722 55 QE GLN 11 QE GLN 11 3.395 -8.021 -1.263 56 H LEU 12 H LEU 12 -1.218 -3.389 -2.699 57 HA LEU 12 HA LEU 12 -1.912 -3.201 -0.089 58 1HB LEU 12 1HB LEU 12 -2.686 -1.917 -2.188 59 2HB LEU 12 2HB LEU 12 -3.966 -3.110 -2.280 60 HG LEU 12 HG LEU 12 -5.086 -1.569 -1.072 61 1HD1 LEU 12 1HD1 LEU 12 -3.460 -2.892 1.116 62 2HD1 LEU 12 2HD1 LEU 12 -4.950 -1.953 1.374 63 3HD1 LEU 12 3HD1 LEU 12 -5.000 -3.458 0.425 64 1HD2 LEU 12 1HD2 LEU 12 -2.610 -0.297 -0.983 65 2HD2 LEU 12 2HD2 LEU 12 -4.177 0.365 -0.460 66 3HD2 LEU 12 3HD2 LEU 12 -3.106 -0.427 0.721 67 MD1 LEU 12 MD1 LEU 12 -4.470 -2.768 0.971 68 MD2 LEU 12 MD2 LEU 12 -3.298 -0.120 -0.240 69 QB LEU 12 QB LEU 12 -3.326 -2.514 -2.234 70 QD LEU 12 QD LEU 12 -3.884 -1.444 0.365 71 H SER 13 H SER 13 -3.411 -5.439 -2.527 72 HA SER 13 HA SER 13 -3.793 -7.319 -0.390 73 1HB SER 13 2HB SER 13 -6.080 -7.308 -0.305 74 2HB SER 13 1HB SER 13 -6.248 -7.022 -2.026 75 HG SER 13 HG SER 13 -6.584 -5.249 -0.054 76 QB SER 13 QB SER 13 -6.164 -7.165 -1.166 77 H SER 14 H SER 14 -1.941 -7.566 -2.380 78 HA SER 14 HA SER 14 -1.235 -8.837 -3.990 79 1HB SER 14 1HB SER 14 -3.082 -10.440 -2.560 80 2HB SER 14 2HB SER 14 -3.438 -10.744 -4.248 81 HG SER 14 HG SER 14 -0.904 -10.914 -4.358 82 QB SER 14 QB SER 14 -3.260 -10.592 -3.404 83 H GLY 15 H GLY 15 -3.571 -6.719 -4.364 84 1HA GLY 15 1HA GLY 15 -4.123 -5.705 -6.376 85 2HA GLY 15 2HA GLY 15 -3.833 -7.204 -7.236 86 QA GLY 15 QA GLY 15 -3.978 -6.455 -6.806 87 H ASN 16 H ASN 16 -5.926 -6.230 -4.416 88 HA ASN 16 HA ASN 16 -8.071 -7.677 -5.741 89 1HB ASN 16 1HB ASN 16 -7.325 -8.220 -3.307 90 2HB ASN 16 2HB ASN 16 -8.023 -6.678 -2.852 91 2HD2 ASN 16 1HD2 ASN 16 -8.743 -9.443 -2.151 92 1HD2 ASN 16 2HD2 ASN 16 -10.414 -9.650 -2.558 93 QB ASN 16 QB ASN 16 -7.674 -7.449 -3.080 94 QD ASN 16 QD ASN 16 -9.578 -9.546 -2.355 95 HA PRO 17 HA PRO 17 -9.683 -3.592 -6.351 96 1HB PRO 17 1HB PRO 17 -11.809 -4.277 -7.926 97 2HB PRO 17 2HB PRO 17 -10.196 -4.007 -8.557 98 1HG PRO 17 1HG PRO 17 -11.619 -6.565 -8.139 99 2HG PRO 17 2HG PRO 17 -10.216 -6.239 -9.138 100 1HD PRO 17 1HD PRO 17 -10.235 -7.524 -6.574 101 2HD PRO 17 2HD PRO 17 -8.825 -7.094 -7.520 102 QB PRO 17 QB PRO 17 -11.003 -4.142 -8.242 103 QG PRO 17 QG PRO 17 -10.917 -6.402 -8.638 104 QD PRO 17 QD PRO 17 -9.530 -7.309 -7.047 105 H VAL 18 H VAL 18 -10.760 -5.955 -4.413 106 HA VAL 18 HA VAL 18 -13.385 -5.253 -3.897 107 HB VAL 18 HB VAL 18 -12.291 -7.272 -3.093 108 1HG1 VAL 18 1HG1 VAL 18 -10.111 -5.981 -2.531 109 2HG1 VAL 18 2HG1 VAL 18 -10.881 -5.679 -0.955 110 3HG1 VAL 18 3HG1 VAL 18 -10.587 -7.349 -1.497 111 1HG2 VAL 18 1HG2 VAL 18 -13.696 -5.415 -1.229 112 2HG2 VAL 18 2HG2 VAL 18 -14.172 -7.023 -1.825 113 3HG2 VAL 18 3HG2 VAL 18 -12.963 -6.877 -0.527 114 MG1 VAL 18 MG1 VAL 18 -10.526 -6.336 -1.661 115 MG2 VAL 18 MG2 VAL 18 -13.610 -6.438 -1.194 116 QG VAL 18 QG VAL 18 -12.068 -6.387 -1.427 117 H TYR 19 H TYR 19 -10.285 -3.866 -2.703 118 HA TYR 19 HA TYR 19 -11.477 -2.144 -0.820 119 1HB TYR 19 1HB TYR 19 -8.945 -2.999 -1.651 120 2HB TYR 19 2HB TYR 19 -8.970 -1.376 -2.310 121 HD1 TYR 19 HD1 TYR 19 -10.520 -2.536 0.884 122 HD2 TYR 19 HD2 TYR 19 -7.398 -0.259 -0.953 123 HE1 TYR 19 HE1 TYR 19 -9.858 -1.600 3.153 124 HE2 TYR 19 HE2 TYR 19 -6.747 0.670 1.322 125 HH TYR 19 HH TYR 19 -8.735 0.422 4.006 126 QB TYR 19 QB TYR 19 -8.958 -2.187 -1.980 127 QD TYR 19 QD TYR 19 -8.959 -1.398 -0.035 128 QE TYR 19 QE TYR 19 -8.302 -0.465 2.238 129 QR TYR 19 QR TYR 19 -8.631 -0.931 1.101 130 H GLU 20 H GLU 20 -10.770 -1.889 -4.323 131 HA GLU 20 HA GLU 20 -11.054 0.856 -4.507 132 1HB GLU 20 1HB GLU 20 -10.726 -1.388 -6.282 133 2HB GLU 20 2HB GLU 20 -12.025 -0.395 -6.914 134 1HG GLU 20 1HG GLU 20 -9.712 1.190 -5.949 135 2HG GLU 20 2HG GLU 20 -9.299 0.094 -7.253 136 HE2 GLU 20 HE2 GLU 20 -10.079 0.559 -9.215 137 QB GLU 20 QB GLU 20 -11.375 -0.892 -6.598 138 QG GLU 20 QG GLU 20 -9.506 0.642 -6.601 139 H LYS 21 H LYS 21 -13.430 -1.815 -4.441 140 HA LYS 21 HA LYS 21 -15.648 -0.607 -5.446 141 1HB LYS 21 1HB LYS 21 -15.375 -2.513 -3.107 142 2HB LYS 21 2HB LYS 21 -16.908 -2.085 -3.839 143 1HG LYS 21 1HG LYS 21 -15.025 -2.800 -5.935 144 2HG LYS 21 2HG LYS 21 -15.035 -4.064 -4.721 145 1HD LYS 21 1HD LYS 21 -17.539 -2.915 -6.043 146 2HD LYS 21 2HD LYS 21 -16.759 -4.408 -6.525 147 1HE LYS 21 1HE LYS 21 -18.083 -5.455 -4.999 148 2HE LYS 21 2HE LYS 21 -17.067 -4.743 -3.762 149 QB LYS 21 QB LYS 21 -16.142 -2.299 -3.473 150 QD LYS 21 QD LYS 21 -17.149 -3.662 -6.284 151 QG LYS 21 QG LYS 21 -15.030 -3.432 -5.328 152 QE LYS 21 QE LYS 21 -17.575 -5.099 -4.381 153 QZ LYS 21 QZ LYS 21 -18.928 -3.096 -4.108 154 H TYR 22 H TYR 22 -14.193 -0.222 -2.170 155 HA TYR 22 HA TYR 22 -16.270 1.462 -1.230 156 1HB TYR 22 2HB TYR 22 -14.592 1.782 0.608 157 2HB TYR 22 1HB TYR 22 -13.302 1.224 -0.439 158 HD1 TYR 22 HD1 TYR 22 -16.675 -0.324 -0.073 159 HD2 TYR 22 HD2 TYR 22 -12.494 -0.634 0.782 160 HE1 TYR 22 HE1 TYR 22 -17.015 -2.700 0.766 161 HE2 TYR 22 HE2 TYR 22 -12.848 -3.009 1.617 162 HH TYR 22 HH TYR 22 -16.063 -4.320 2.012 163 QB TYR 22 QB TYR 22 -13.947 1.503 0.085 164 QD TYR 22 QD TYR 22 -14.585 -0.479 0.355 165 QE TYR 22 QE TYR 22 -14.932 -2.855 1.191 166 QR TYR 22 QR TYR 22 -14.758 -1.667 0.773 167 H TYR 23 H TYR 23 -12.982 2.032 -2.631 168 HA TYR 23 HA TYR 23 -12.856 4.754 -2.244 169 1HB TYR 23 1HB TYR 23 -10.917 3.662 -3.113 170 2HB TYR 23 2HB TYR 23 -11.860 2.655 -4.194 171 HD1 TYR 23 HD1 TYR 23 -12.992 3.876 -6.225 172 HD2 TYR 23 HD2 TYR 23 -9.738 5.493 -3.966 173 HE1 TYR 23 HE1 TYR 23 -12.404 5.415 -8.161 174 HE2 TYR 23 HE2 TYR 23 -9.161 7.027 -5.910 175 HH TYR 23 HH TYR 23 -9.500 7.401 -8.066 176 QB TYR 23 QB TYR 23 -11.389 3.158 -3.654 177 QD TYR 23 QD TYR 23 -11.365 4.684 -5.096 178 QE TYR 23 QE TYR 23 -10.782 6.221 -7.035 179 QR TYR 23 QR TYR 23 -11.074 5.452 -6.066 180 H ARG 24 H ARG 24 -14.689 2.859 -4.650 181 HA ARG 24 HA ARG 24 -15.208 5.125 -6.258 182 1HB ARG 24 1HB ARG 24 -15.230 2.581 -6.906 183 2HB ARG 24 2HB ARG 24 -16.849 2.558 -6.236 184 1HG ARG 24 1HG ARG 24 -16.168 4.733 -8.215 185 2HG ARG 24 2HG ARG 24 -16.407 3.109 -8.830 186 1HD ARG 24 1HD ARG 24 -18.543 3.562 -6.987 187 2HD ARG 24 2HD ARG 24 -18.405 5.035 -7.927 188 HE ARG 24 HE ARG 24 -18.245 2.793 -9.708 189 1HH1 ARG 24 1HH1 ARG 24 -20.606 4.485 -7.678 190 2HH1 ARG 24 2HH1 ARG 24 -21.960 4.027 -8.656 191 2HH2 ARG 24 HH2 ARG 24 -21.599 2.678 -10.604 192 QB ARG 24 QB ARG 24 -16.039 2.570 -6.571 193 QG ARG 24 QG ARG 24 -16.288 3.921 -8.522 194 QD ARG 24 QD ARG 24 -18.474 4.298 -7.457 195 QH1 ARG 24 QH1 ARG 24 -21.283 4.256 -8.167 196 H GLN 25 H GLN 25 -16.647 3.566 -3.428 197 HA GLN 25 HA GLN 25 -19.231 4.570 -3.740 198 1HB GLN 25 1HB GLN 25 -17.617 3.385 -1.500 199 2HB GLN 25 2HB GLN 25 -19.079 4.246 -1.064 200 1HG GLN 25 1HG GLN 25 -19.890 2.681 -3.249 201 2HG GLN 25 2HG GLN 25 -18.775 1.630 -2.398 202 2HE2 GLN 25 1HE2 GLN 25 -19.032 1.949 0.136 203 1HE2 GLN 25 2HE2 GLN 25 -20.646 1.734 0.728 204 QB GLN 25 QB GLN 25 -18.348 3.816 -1.282 205 QG GLN 25 QG GLN 25 -19.332 2.155 -2.823 206 QE GLN 25 QE GLN 25 -19.839 1.842 0.432 207 H VAL 26 H VAL 26 -16.208 5.894 -2.379 208 HA VAL 26 HA VAL 26 -17.542 8.136 -1.183 209 HB VAL 26 HB VAL 26 -15.514 8.643 -0.284 210 1HG1 VAL 26 1HG1 VAL 26 -16.173 6.176 0.088 211 2HG1 VAL 26 2HG1 VAL 26 -14.818 5.792 -1.001 212 3HG1 VAL 26 3HG1 VAL 26 -14.518 6.674 0.516 213 1HG2 VAL 26 1HG2 VAL 26 -14.465 7.923 -2.960 214 2HG2 VAL 26 2HG2 VAL 26 -14.017 9.254 -1.868 215 3HG2 VAL 26 3HG2 VAL 26 -13.363 7.621 -1.595 216 MG1 VAL 26 MG1 VAL 26 -15.169 6.214 -0.132 217 MG2 VAL 26 MG2 VAL 26 -13.948 8.266 -2.141 218 QG VAL 26 QG VAL 26 -14.559 7.240 -1.136 219 H GLU 27 H GLU 27 -16.728 7.198 -4.355 220 HA GLU 27 HA GLU 27 -15.806 9.612 -5.373 221 1HB GLU 27 1HB GLU 27 -15.699 7.352 -6.501 222 2HB GLU 27 2HB GLU 27 -17.418 7.465 -6.820 223 1HG GLU 27 1HG GLU 27 -16.398 9.931 -7.735 224 2HG GLU 27 2HG GLU 27 -15.176 8.769 -8.211 225 HE2 GLU 27 HE2 GLU 27 -17.019 6.542 -8.989 226 QB GLU 27 QB GLU 27 -16.558 7.409 -6.661 227 QG GLU 27 QG GLU 27 -15.787 9.350 -7.973 228 H ALA 28 H ALA 28 -16.868 11.397 -6.331 229 HA ALA 28 HA ALA 28 -19.794 11.385 -6.084 230 1HB ALA 28 2HB ALA 28 -18.659 14.013 -5.639 231 2HB ALA 28 1HB ALA 28 -17.961 12.846 -4.491 232 3HB ALA 28 3HB ALA 28 -19.726 13.056 -4.584 233 MB ALA 28 MB ALA 28 -18.782 13.305 -4.905 234 H GLY 29 H GLY 29 -20.868 12.926 -7.563 235 1HA GLY 29 1HA GLY 29 -21.060 14.116 -9.485 236 2HA GLY 29 2HA GLY 29 -19.314 14.194 -9.620 237 QA GLY 29 QA GLY 29 -20.187 14.155 -9.552 238 H ASN 30 H ASN 30 -20.253 13.816 -11.997 239 HA ASN 30 HA ASN 30 -20.359 10.931 -12.394 240 1HB ASN 30 1HB ASN 30 -21.661 13.269 -13.795 241 2HB ASN 30 2HB ASN 30 -21.223 11.892 -14.786 242 2HD2 ASN 30 1HD2 ASN 30 -22.639 10.340 -14.976 243 1HD2 ASN 30 2HD2 ASN 30 -23.942 9.967 -13.897 244 QB ASN 30 QB ASN 30 -21.442 12.581 -14.291 245 QD ASN 30 QD ASN 30 -23.291 10.153 -14.437 246 H THR 31 H THR 31 -17.833 12.028 -11.978 247 HA THR 31 HA THR 31 -16.750 12.398 -14.693 248 HB THR 31 HB THR 31 -14.888 13.587 -13.474 249 HG1 THR 31 HG1 THR 31 -15.033 12.654 -11.399 250 1HG2 THR 31 1HG2 THR 31 -17.028 14.858 -14.184 251 2HG2 THR 31 2HG2 THR 31 -17.583 14.654 -12.506 252 3HG2 THR 31 3HG2 THR 31 -16.106 15.586 -12.847 253 MG THR 31 MG THR 31 -16.906 15.033 -13.179 254 H GLY 32 H GLY 32 -16.667 10.514 -11.692 255 1HA GLY 32 1HA GLY 32 -15.985 8.302 -11.616 256 2HA GLY 32 2HA GLY 32 -15.057 8.515 -13.087 257 QA GLY 32 QA GLY 32 -15.521 8.409 -12.351 258 H ARG 33 H ARG 33 -14.876 10.909 -10.459 259 HA ARG 33 HA ARG 33 -12.291 9.779 -9.752 260 1HB ARG 33 1HB ARG 33 -13.014 12.677 -10.365 261 2HB ARG 33 2HB ARG 33 -11.603 12.282 -9.404 262 1HG ARG 33 1HG ARG 33 -11.591 10.581 -11.740 263 2HG ARG 33 2HG ARG 33 -11.879 12.226 -12.272 264 1HD ARG 33 1HD ARG 33 -9.544 12.222 -12.214 265 2HD ARG 33 2HD ARG 33 -9.885 12.809 -10.599 266 HE ARG 33 HE ARG 33 -9.050 10.807 -9.716 267 1HH1 ARG 33 1HH1 ARG 33 -9.737 10.336 -13.160 268 2HH1 ARG 33 2HH1 ARG 33 -9.013 8.764 -13.216 269 2HH2 ARG 33 HH2 ARG 33 -8.053 7.841 -11.223 270 QB ARG 33 QB ARG 33 -12.308 12.479 -9.884 271 QG ARG 33 QG ARG 33 -11.735 11.403 -12.006 272 QD ARG 33 QD ARG 33 -9.714 12.516 -11.407 273 QH1 ARG 33 QH1 ARG 33 -9.375 9.550 -13.188 274 H VAL 34 H VAL 34 -11.545 10.415 -7.521 275 HA VAL 34 HA VAL 34 -13.829 10.553 -5.750 276 HB VAL 34 HB VAL 34 -10.932 10.359 -4.962 277 1HG1 VAL 34 1HG1 VAL 34 -13.559 9.951 -3.680 278 2HG1 VAL 34 2HG1 VAL 34 -12.369 8.667 -3.360 279 3HG1 VAL 34 3HG1 VAL 34 -11.981 10.359 -2.966 280 1HG2 VAL 34 1HG2 VAL 34 -12.516 8.416 -6.512 281 2HG2 VAL 34 2HG2 VAL 34 -10.756 8.537 -6.273 282 3HG2 VAL 34 3HG2 VAL 34 -11.769 7.748 -5.040 283 MG1 VAL 34 MG1 VAL 34 -12.636 9.659 -3.335 284 MG2 VAL 34 MG2 VAL 34 -11.681 8.233 -5.941 285 QG VAL 34 QG VAL 34 -12.158 8.946 -4.638 286 H LEU 35 H LEU 35 -14.643 12.518 -5.237 287 HA LEU 35 HA LEU 35 -13.236 14.898 -5.645 288 1HB LEU 35 1HB LEU 35 -15.844 14.041 -4.778 289 2HB LEU 35 2HB LEU 35 -15.275 15.342 -3.751 290 HG LEU 35 HG LEU 35 -15.410 15.459 -6.777 291 1HD1 LEU 35 1HD1 LEU 35 -17.525 15.574 -4.950 292 2HD1 LEU 35 2HD1 LEU 35 -17.184 17.269 -5.376 293 3HD1 LEU 35 3HD1 LEU 35 -17.538 16.083 -6.656 294 1HD2 LEU 35 1HD2 LEU 35 -14.083 17.121 -4.823 295 2HD2 LEU 35 2HD2 LEU 35 -14.062 17.213 -6.601 296 3HD2 LEU 35 3HD2 LEU 35 -15.340 18.043 -5.682 297 MD1 LEU 35 MD1 LEU 35 -17.416 16.309 -5.661 298 MD2 LEU 35 MD2 LEU 35 -14.495 17.459 -5.702 299 QB LEU 35 QB LEU 35 -15.560 14.691 -4.265 300 QD LEU 35 QD LEU 35 -15.955 16.884 -5.681 301 H ALA 36 H ALA 36 -12.885 12.482 -3.252 302 HA ALA 36 HA ALA 36 -11.409 12.404 -1.572 303 1HB ALA 36 2HB ALA 36 -10.957 15.328 -1.315 304 2HB ALA 36 3HB ALA 36 -9.785 13.990 -1.387 305 3HB ALA 36 1HB ALA 36 -10.507 14.622 -2.886 306 MB ALA 36 MB ALA 36 -10.416 14.647 -1.863 307 H LEU 37 H LEU 37 -13.406 15.440 -1.436 308 HA LEU 37 HA LEU 37 -13.781 15.669 1.208 309 1HB LEU 37 1HB LEU 37 -15.641 16.094 -1.110 310 2HB LEU 37 2HB LEU 37 -16.171 16.410 0.530 311 HG LEU 37 HG LEU 37 -15.390 18.431 -0.658 312 1HD1 LEU 37 1HD1 LEU 37 -14.744 17.593 1.964 313 2HD1 LEU 37 2HD1 LEU 37 -13.335 18.486 1.343 314 3HD1 LEU 37 3HD1 LEU 37 -14.942 19.252 1.351 315 1HD2 LEU 37 1HD2 LEU 37 -13.645 17.345 -2.029 316 2HD2 LEU 37 2HD2 LEU 37 -13.050 18.783 -1.165 317 3HD2 LEU 37 3HD2 LEU 37 -12.643 17.156 -0.570 318 MD1 LEU 37 MD1 LEU 37 -14.341 18.444 1.553 319 MD2 LEU 37 MD2 LEU 37 -13.113 17.761 -1.255 320 QB LEU 37 QB LEU 37 -15.906 16.252 -0.290 321 QD LEU 37 QD LEU 37 -13.727 18.102 0.149 322 H ASP 38 H ASP 38 -15.855 13.602 -0.950 323 HA ASP 38 HA ASP 38 -17.340 12.527 1.080 324 1HB ASP 38 1HB ASP 38 -16.696 11.873 -1.738 325 2HB ASP 38 2HB ASP 38 -17.108 10.458 -0.790 326 HD2 ASP 38 HD2 ASP 38 -18.730 13.551 -0.215 327 QB ASP 38 QB ASP 38 -16.902 11.165 -1.264 328 H ALA 39 H ALA 39 -14.174 11.571 -0.365 329 HA ALA 39 HA ALA 39 -13.816 9.082 0.668 330 1HB ALA 39 3HB ALA 39 -11.636 9.381 0.030 331 2HB ALA 39 2HB ALA 39 -11.504 10.964 0.833 332 3HB ALA 39 1HB ALA 39 -12.316 10.832 -0.745 333 MB ALA 39 MB ALA 39 -11.819 10.392 0.039 334 H ALA 40 H ALA 40 -13.096 12.251 2.289 335 HA ALA 40 HA ALA 40 -12.187 11.149 4.674 336 1HB ALA 40 2HB ALA 40 -13.683 13.774 4.349 337 2HB ALA 40 3HB ALA 40 -12.418 13.372 5.535 338 3HB ALA 40 1HB ALA 40 -12.002 13.543 3.813 339 MB ALA 40 MB ALA 40 -12.701 13.563 4.566 340 H ALA 41 H ALA 41 -15.429 11.531 3.320 341 HA ALA 41 HA ALA 41 -16.831 11.368 5.765 342 1HB ALA 41 2HB ALA 41 -18.197 10.290 3.400 343 2HB ALA 41 3HB ALA 41 -18.598 11.706 4.402 344 3HB ALA 41 1HB ALA 41 -17.411 11.856 3.085 345 MB ALA 41 MB ALA 41 -18.069 11.284 3.629 346 H PHE 42 H PHE 42 -15.918 8.933 3.234 347 HA PHE 42 HA PHE 42 -17.074 6.771 4.596 348 1HB PHE 42 1HB PHE 42 -16.446 6.858 2.160 349 2HB PHE 42 2HB PHE 42 -14.758 7.049 2.588 350 HD1 PHE 42 HD1 PHE 42 -17.515 4.675 3.470 351 HD2 PHE 42 HD2 PHE 42 -13.478 5.174 2.258 352 HE1 PHE 42 HE1 PHE 42 -17.220 2.183 3.424 353 HE2 PHE 42 HE2 PHE 42 -13.184 2.682 2.212 354 HZ PHE 42 HZ PHE 42 -15.059 1.216 2.795 355 QB PHE 42 QB PHE 42 -15.602 6.953 2.374 356 QD PHE 42 QD PHE 42 -15.496 4.924 2.864 357 QE PHE 42 QE PHE 42 -15.202 2.432 2.818 358 QR PHE 42 QR PHE 42 -15.349 3.678 2.841 359 H LEU 43 H LEU 43 -13.930 8.423 4.837 360 HA LEU 43 HA LEU 43 -12.563 6.347 6.146 361 1HB LEU 43 1HB LEU 43 -12.177 9.332 6.007 362 2HB LEU 43 2HB LEU 43 -11.099 8.286 6.911 363 HG LEU 43 HG LEU 43 -11.653 8.029 3.942 364 1HD1 LEU 43 1HD1 LEU 43 -9.630 9.600 5.476 365 2HD1 LEU 43 2HD1 LEU 43 -9.122 8.809 3.964 366 3HD1 LEU 43 3HD1 LEU 43 -10.465 9.978 3.950 367 1HD2 LEU 43 1HD2 LEU 43 -9.641 6.649 5.738 368 2HD2 LEU 43 2HD2 LEU 43 -11.024 5.906 4.898 369 3HD2 LEU 43 3HD2 LEU 43 -9.658 6.558 3.960 370 MD1 LEU 43 MD1 LEU 43 -9.739 9.462 4.463 371 MD2 LEU 43 MD2 LEU 43 -10.108 6.371 4.865 372 QB LEU 43 QB LEU 43 -11.638 8.809 6.459 373 QD LEU 43 QD LEU 43 -9.923 7.917 4.664 374 H LYS 44 H LYS 44 -14.476 9.178 7.335 375 HA LYS 44 HA LYS 44 -14.015 8.830 10.024 376 1HB LYS 44 1HB LYS 44 -16.197 10.051 8.379 377 2HB LYS 44 2HB LYS 44 -16.481 9.830 10.094 378 1HG LYS 44 1HG LYS 44 -13.796 10.930 9.534 379 2HG LYS 44 2HG LYS 44 -15.078 11.953 8.916 380 1HD LYS 44 1HD LYS 44 -16.020 11.218 11.455 381 2HD LYS 44 2HD LYS 44 -14.297 11.411 11.712 382 1HE LYS 44 1HE LYS 44 -14.898 13.629 10.135 383 2HE LYS 44 2HE LYS 44 -16.353 13.462 11.097 384 QB LYS 44 QB LYS 44 -16.339 9.941 9.237 385 QD LYS 44 QD LYS 44 -15.159 11.314 11.584 386 QG LYS 44 QG LYS 44 -14.437 11.441 9.225 387 QE LYS 44 QE LYS 44 -15.625 13.545 10.616 388 QZ LYS 44 QZ LYS 44 -14.023 13.999 12.261 389 H LYS 45 H LYS 45 -15.695 6.775 7.779 390 HA LYS 45 HA LYS 45 -17.361 5.550 9.766 391 1HB LYS 45 1HB LYS 45 -16.715 4.509 7.001 392 2HB LYS 45 2HB LYS 45 -18.111 4.140 7.993 393 1HG LYS 45 1HG LYS 45 -18.555 6.742 7.916 394 2HG LYS 45 2HG LYS 45 -17.459 6.728 6.548 395 1HD LYS 45 1HD LYS 45 -18.880 5.057 5.388 396 2HD LYS 45 2HD LYS 45 -19.947 4.968 6.775 397 1HE LYS 45 1HE LYS 45 -19.511 7.734 5.770 398 2HE LYS 45 2HE LYS 45 -20.291 6.674 4.613 399 QB LYS 45 QB LYS 45 -17.413 4.324 7.497 400 QD LYS 45 QD LYS 45 -19.413 5.013 6.081 401 QG LYS 45 QG LYS 45 -18.007 6.735 7.232 402 QE LYS 45 QE LYS 45 -19.901 7.204 5.191 403 QZ LYS 45 QZ LYS 45 -21.525 7.362 6.829 404 H SER 46 H SER 46 -14.131 5.684 9.593 405 HA SER 46 HA SER 46 -13.543 2.902 9.682 406 1HB SER 46 2HB SER 46 -11.896 4.509 8.807 407 2HB SER 46 1HB SER 46 -11.239 3.653 10.187 408 HG SER 46 HG SER 46 -12.286 6.347 10.119 409 QB SER 46 QB SER 46 -11.568 4.081 9.497 410 H GLY 47 H GLY 47 -12.649 5.457 12.100 411 1HA GLY 47 1HA GLY 47 -14.172 4.742 14.240 412 2HA GLY 47 2HA GLY 47 -12.865 3.574 14.262 413 QA GLY 47 QA GLY 47 -13.518 4.158 14.251 414 H LEU 48 H LEU 48 -10.957 5.553 12.936 415 HA LEU 48 HA LEU 48 -9.915 6.624 15.325 416 1HB LEU 48 1HB LEU 48 -9.230 6.766 12.416 417 2HB LEU 48 2HB LEU 48 -8.450 7.866 13.535 418 HG LEU 48 HG LEU 48 -8.443 4.872 13.950 419 1HD1 LEU 48 1HD1 LEU 48 -6.472 6.557 12.388 420 2HD1 LEU 48 2HD1 LEU 48 -6.145 4.906 12.970 421 3HD1 LEU 48 3HD1 LEU 48 -7.451 5.194 11.795 422 1HD2 LEU 48 1HD2 LEU 48 -6.930 7.191 15.140 423 2HD2 LEU 48 2HD2 LEU 48 -7.865 5.916 15.958 424 3HD2 LEU 48 3HD2 LEU 48 -6.299 5.528 15.206 425 MD1 LEU 48 MD1 LEU 48 -6.690 5.552 12.384 426 MD2 LEU 48 MD2 LEU 48 -7.031 6.211 15.434 427 QB LEU 48 QB LEU 48 -8.840 7.316 12.976 428 QD LEU 48 QD LEU 48 -6.860 5.882 13.909 429 HA PRO 49 HA PRO 49 -11.757 10.523 15.439 430 1HB PRO 49 1HB PRO 49 -9.790 12.130 16.449 431 2HB PRO 49 2HB PRO 49 -10.753 11.053 17.442 432 1HG PRO 49 1HG PRO 49 -7.951 10.744 16.552 433 2HG PRO 49 2HG PRO 49 -8.784 9.927 17.860 434 1HD PRO 49 1HD PRO 49 -8.158 8.841 15.280 435 2HD PRO 49 2HD PRO 49 -9.091 8.066 16.545 436 QB PRO 49 QB PRO 49 -10.272 11.591 16.945 437 QG PRO 49 QG PRO 49 -8.367 10.336 17.206 438 QD PRO 49 QD PRO 49 -8.625 8.454 15.913 439 H ASP 50 H ASP 50 -10.927 13.124 15.116 440 HA ASP 50 HA ASP 50 -10.598 13.041 12.252 441 1HB ASP 50 2HB ASP 50 -12.408 14.431 13.225 442 2HB ASP 50 1HB ASP 50 -11.264 15.413 12.331 443 HD2 ASP 50 HD2 ASP 50 -12.722 14.956 15.274 444 QB ASP 50 QB ASP 50 -11.836 14.922 12.778 445 H LEU 51 H LEU 51 -9.062 14.160 15.296 446 HA LEU 51 HA LEU 51 -7.123 15.826 14.191 447 1HB LEU 51 1HB LEU 51 -6.427 16.056 16.297 448 2HB LEU 51 2HB LEU 51 -7.934 15.241 16.668 449 HG LEU 51 HG LEU 51 -5.457 13.598 16.257 450 1HD1 LEU 51 1HD1 LEU 51 -5.580 15.698 18.152 451 2HD1 LEU 51 2HD1 LEU 51 -5.778 14.172 19.047 452 3HD1 LEU 51 3HD1 LEU 51 -4.358 14.413 18.000 453 1HD2 LEU 51 1HD2 LEU 51 -7.948 12.811 16.665 454 2HD2 LEU 51 2HD2 LEU 51 -6.567 11.955 17.392 455 3HD2 LEU 51 3HD2 LEU 51 -7.515 13.105 18.366 456 MD1 LEU 51 MD1 LEU 51 -5.238 14.761 18.400 457 MD2 LEU 51 MD2 LEU 51 -7.343 12.624 17.475 458 QB LEU 51 QB LEU 51 -7.181 15.648 16.482 459 QD LEU 51 QD LEU 51 -6.291 13.693 17.937 460 H ILE 52 H ILE 52 -6.963 12.314 15.105 461 HA ILE 52 HA ILE 52 -4.362 11.955 14.153 462 HB ILE 52 HB ILE 52 -6.665 10.140 14.778 463 1HG1 ILE 52 1HG1 ILE 52 -4.931 11.389 16.413 464 2HG1 ILE 52 2HG1 ILE 52 -5.663 9.838 16.776 465 1HG2 ILE 52 1HG2 ILE 52 -5.497 9.126 12.869 466 2HG2 ILE 52 2HG2 ILE 52 -3.958 9.240 13.755 467 3HG2 ILE 52 3HG2 ILE 52 -5.263 8.195 14.368 468 1HD1 ILE 52 1HD1 ILE 52 -3.012 10.093 15.293 469 2HD1 ILE 52 2HD1 ILE 52 -3.128 9.941 17.063 470 3HD1 ILE 52 3HD1 ILE 52 -3.714 8.626 16.016 471 MG ILE 52 MG ILE 52 -4.906 8.854 13.664 472 MD ILE 52 MD ILE 52 -3.284 9.554 16.124 473 QG ILE 52 QG ILE 52 -5.297 10.613 16.594 474 H LEU 53 H LEU 53 -7.567 11.888 12.573 475 HA LEU 53 HA LEU 53 -6.692 10.689 10.187 476 1HB LEU 53 1HB LEU 53 -9.082 12.105 11.184 477 2HB LEU 53 2HB LEU 53 -8.830 12.195 9.452 478 HG LEU 53 HG LEU 53 -8.921 9.604 11.020 479 1HD1 LEU 53 1HD1 LEU 53 -11.061 11.327 10.456 480 2HD1 LEU 53 2HD1 LEU 53 -11.167 10.022 9.250 481 3HD1 LEU 53 3HD1 LEU 53 -11.140 9.630 10.986 482 1HD2 LEU 53 1HD2 LEU 53 -7.730 9.896 8.670 483 2HD2 LEU 53 2HD2 LEU 53 -8.705 8.459 9.058 484 3HD2 LEU 53 3HD2 LEU 53 -9.404 9.771 8.078 485 MD1 LEU 53 MD1 LEU 53 -11.123 10.326 10.231 486 MD2 LEU 53 MD2 LEU 53 -8.613 9.375 8.602 487 QB LEU 53 QB LEU 53 -8.956 12.150 10.317 488 QD LEU 53 QD LEU 53 -9.868 9.851 9.417 489 H GLY 54 H GLY 54 -7.113 14.148 11.187 490 1HA GLY 54 1HA GLY 54 -6.537 15.492 8.931 491 2HA GLY 54 2HA GLY 54 -5.951 15.971 10.512 492 QA GLY 54 QA GLY 54 -6.244 15.731 9.722 493 H LYS 55 H LYS 55 -4.137 13.832 11.080 494 HA LYS 55 HA LYS 55 -1.885 14.736 9.676 495 1HB LYS 55 1HB LYS 55 -2.396 12.459 11.591 496 2HB LYS 55 2HB LYS 55 -0.825 12.698 10.853 497 1HG LYS 55 1HG LYS 55 -1.329 15.257 11.683 498 2HG LYS 55 2HG LYS 55 -2.245 14.375 12.890 499 1HD LYS 55 1HD LYS 55 -0.289 14.065 14.001 500 2HD LYS 55 2HD LYS 55 0.158 12.933 12.740 501 1HE LYS 55 1HE LYS 55 0.643 15.590 11.728 502 2HE LYS 55 2HE LYS 55 1.332 15.506 13.337 503 QB LYS 55 QB LYS 55 -1.611 12.578 11.222 504 QD LYS 55 QD LYS 55 -0.066 13.499 13.371 505 QG LYS 55 QG LYS 55 -1.787 14.816 12.286 506 QE LYS 55 QE LYS 55 0.987 15.548 12.532 507 QZ LYS 55 QZ LYS 55 2.604 13.866 12.263 508 H ILE 56 H ILE 56 -3.979 11.819 9.371 509 HA ILE 56 HA ILE 56 -2.425 10.476 7.508 510 HB ILE 56 HB ILE 56 -5.357 10.504 8.158 511 1HG1 ILE 56 1HG1 ILE 56 -3.090 8.553 8.637 512 2HG1 ILE 56 2HG1 ILE 56 -3.930 9.519 9.834 513 1HG2 ILE 56 1HG2 ILE 56 -4.101 9.456 5.741 514 2HG2 ILE 56 2HG2 ILE 56 -4.943 8.200 6.681 515 3HG2 ILE 56 3HG2 ILE 56 -5.822 9.654 6.152 516 1HD1 ILE 56 1HD1 ILE 56 -5.963 8.104 8.424 517 2HD1 ILE 56 2HD1 ILE 56 -4.665 6.930 8.750 518 3HD1 ILE 56 3HD1 ILE 56 -5.411 7.829 10.093 519 MG ILE 56 MG ILE 56 -4.955 9.103 6.191 520 MD ILE 56 MD ILE 56 -5.346 7.621 9.089 521 QG ILE 56 QG ILE 56 -3.510 9.036 9.236 522 H TRP 57 H TRP 57 -5.228 12.726 6.962 523 HA TRP 57 HA TRP 57 -5.091 12.724 4.205 524 1HB TRP 57 1HB TRP 57 -6.882 13.666 5.733 525 2HB TRP 57 2HB TRP 57 -5.873 15.089 5.907 526 HD1 TRP 57 HD1 TRP 57 -5.437 16.527 3.533 527 HE1 TRP 57 HE1 TRP 57 -6.939 16.917 1.399 528 HE3 TRP 57 HE3 TRP 57 -8.535 12.577 4.345 529 HZ2 TRP 57 HZ2 TRP 57 -9.204 15.561 0.315 530 HZ3 TRP 57 HZ3 TRP 57 -10.366 12.181 2.701 531 HH2 TRP 57 HH2 TRP 57 -10.726 13.596 0.741 532 QB TRP 57 QB TRP 57 -6.378 14.378 5.820 533 H ASP 58 H ASP 58 -3.593 15.016 6.604 534 HA ASP 58 HA ASP 58 -2.336 16.679 4.967 535 1HB ASP 58 1HB ASP 58 -2.257 16.424 7.571 536 2HB ASP 58 2HB ASP 58 -0.852 15.413 7.302 537 HD2 ASP 58 HD2 ASP 58 -2.005 18.666 6.902 538 QB ASP 58 QB ASP 58 -1.555 15.918 7.436 539 H LEU 59 H LEU 59 -1.210 13.391 6.016 540 HA LEU 59 HA LEU 59 1.176 13.533 4.458 541 1HB LEU 59 1HB LEU 59 1.341 12.254 6.385 542 2HB LEU 59 2HB LEU 59 -0.199 11.459 6.125 543 HG LEU 59 HG LEU 59 1.964 10.105 5.798 544 1HD1 LEU 59 1HD1 LEU 59 -0.546 9.745 4.906 545 2HD1 LEU 59 2HD1 LEU 59 0.316 9.795 3.349 546 3HD1 LEU 59 3HD1 LEU 59 0.783 8.604 4.588 547 1HD2 LEU 59 1HD2 LEU 59 2.537 12.159 3.993 548 2HD2 LEU 59 2HD2 LEU 59 3.419 10.627 4.202 549 3HD2 LEU 59 3HD2 LEU 59 2.133 10.754 2.977 550 MD1 LEU 59 MD1 LEU 59 0.184 9.381 4.281 551 MD2 LEU 59 MD2 LEU 59 2.696 11.180 3.724 552 QB LEU 59 QB LEU 59 0.571 11.856 6.255 553 QD LEU 59 QD LEU 59 1.440 10.280 4.002 554 H ALA 60 H ALA 60 -2.179 12.506 3.981 555 HA ALA 60 HA ALA 60 -1.675 10.892 1.712 556 1HB ALA 60 2HB ALA 60 -4.301 12.220 1.882 557 2HB ALA 60 3HB ALA 60 -3.895 10.487 1.883 558 3HB ALA 60 1HB ALA 60 -3.809 11.422 3.395 559 MB ALA 60 MB ALA 60 -4.001 11.376 2.386 560 H ASP 61 H ASP 61 -3.296 14.143 1.933 561 HA ASP 61 HA ASP 61 -3.427 14.803 -0.592 562 1HB ASP 61 1HB ASP 61 -4.101 16.409 1.047 563 2HB ASP 61 2HB ASP 61 -2.512 16.458 1.782 564 HD2 ASP 61 HD2 ASP 61 -3.402 18.903 -1.197 565 QB ASP 61 QB ASP 61 -3.306 16.433 1.415 566 H THR 62 H THR 62 -2.002 15.061 -2.334 567 HA THR 62 HA THR 62 0.664 16.019 -1.935 568 HB THR 62 HB THR 62 0.085 13.071 -2.417 569 HG1 THR 62 HG1 THR 62 1.857 14.819 -0.868 570 1HG2 THR 62 1HG2 THR 62 2.484 14.724 -3.317 571 2HG2 THR 62 2HG2 THR 62 2.666 13.015 -2.854 572 3HG2 THR 62 3HG2 THR 62 1.618 13.460 -4.222 573 MG THR 62 MG THR 62 2.256 13.733 -3.464 574 H ASP 63 H ASP 63 -1.722 14.386 -4.082 575 HA ASP 63 HA ASP 63 -0.536 15.157 -6.443 576 1HB ASP 63 1HB ASP 63 -2.560 13.562 -5.937 577 2HB ASP 63 2HB ASP 63 -3.546 15.007 -6.042 578 HD2 ASP 63 HD2 ASP 63 -4.031 13.084 -7.686 579 QB ASP 63 QB ASP 63 -3.053 14.284 -5.990 580 H GLY 64 H GLY 64 -2.866 16.769 -4.215 581 1HA GLY 64 1HA GLY 64 -2.718 19.169 -4.023 582 2HA GLY 64 2HA GLY 64 -2.530 19.266 -5.762 583 QA GLY 64 QA GLY 64 -2.624 19.217 -4.892 584 H LYS 65 H LYS 65 -4.498 20.823 -4.754 585 HA LYS 65 HA LYS 65 -6.632 21.323 -5.029 586 1HB LYS 65 1HB LYS 65 -6.385 20.256 -7.241 587 2HB LYS 65 2HB LYS 65 -6.838 18.710 -6.554 588 1HG LYS 65 1HG LYS 65 -8.863 19.566 -7.476 589 2HG LYS 65 2HG LYS 65 -9.015 19.847 -5.753 590 1HD LYS 65 1HD LYS 65 -9.375 22.038 -6.213 591 2HD LYS 65 2HD LYS 65 -7.698 22.155 -6.707 592 1HE LYS 65 1HE LYS 65 -9.698 21.063 -8.692 593 2HE LYS 65 2HE LYS 65 -9.692 22.788 -8.387 594 QB LYS 65 QB LYS 65 -6.611 19.483 -6.898 595 QD LYS 65 QD LYS 65 -8.537 22.096 -6.460 596 QG LYS 65 QG LYS 65 -8.939 19.706 -6.615 597 QE LYS 65 QE LYS 65 -9.695 21.926 -8.540 598 QZ LYS 65 QZ LYS 65 -7.415 22.392 -9.157 599 H GLY 66 H GLY 66 -7.084 17.743 -4.818 600 1HA GLY 66 1HA GLY 66 -7.424 17.471 -2.104 601 2HA GLY 66 2HA GLY 66 -8.974 18.034 -2.698 602 QA GLY 66 QA GLY 66 -8.199 17.753 -2.401 603 H VAL 67 H VAL 67 -9.053 16.828 -5.279 604 HA VAL 67 HA VAL 67 -10.206 14.451 -4.845 605 HB VAL 67 HB VAL 67 -8.469 15.111 -7.231 606 1HG1 VAL 67 1HG1 VAL 67 -9.701 12.766 -6.773 607 2HG1 VAL 67 2HG1 VAL 67 -11.061 13.665 -7.487 608 3HG1 VAL 67 3HG1 VAL 67 -9.544 13.475 -8.397 609 1HG2 VAL 67 1HG2 VAL 67 -10.948 16.340 -6.225 610 2HG2 VAL 67 2HG2 VAL 67 -9.764 16.942 -7.410 611 3HG2 VAL 67 3HG2 VAL 67 -11.038 15.808 -7.921 612 MG1 VAL 67 MG1 VAL 67 -10.102 13.302 -7.552 613 MG2 VAL 67 MG2 VAL 67 -10.583 16.364 -7.186 614 QG VAL 67 QG VAL 67 -10.343 14.833 -7.369 615 H LEU 68 H LEU 68 -9.610 12.222 -4.859 616 HA LEU 68 HA LEU 68 -6.830 11.831 -4.032 617 1HB LEU 68 2HB LEU 68 -7.593 9.841 -2.934 618 2HB LEU 68 1HB LEU 68 -9.183 9.979 -3.658 619 HG LEU 68 HG LEU 68 -9.625 12.017 -2.365 620 1HD1 LEU 68 1HD1 LEU 68 -8.694 9.670 -0.688 621 2HD1 LEU 68 2HD1 LEU 68 -9.760 10.982 -0.131 622 3HD1 LEU 68 3HD1 LEU 68 -10.300 9.886 -1.426 623 1HD2 LEU 68 1HD2 LEU 68 -6.871 11.563 -1.184 624 2HD2 LEU 68 2HD2 LEU 68 -7.388 12.928 -2.203 625 3HD2 LEU 68 3HD2 LEU 68 -8.077 12.722 -0.575 626 MD1 LEU 68 MD1 LEU 68 -9.585 10.180 -0.748 627 MD2 LEU 68 MD2 LEU 68 -7.445 12.405 -1.321 628 QB LEU 68 QB LEU 68 -8.388 9.910 -3.296 629 QD LEU 68 QD LEU 68 -8.515 11.292 -1.035 630 H SER 69 H SER 69 -6.074 9.430 -4.623 631 HA SER 69 HA SER 69 -6.838 8.982 -7.397 632 1HB SER 69 2HB SER 69 -4.573 8.751 -8.089 633 2HB SER 69 1HB SER 69 -3.986 8.597 -6.445 634 HG SER 69 HG SER 69 -3.631 10.699 -6.504 635 QB SER 69 QB SER 69 -4.279 8.674 -7.267 636 H LYS 70 H LYS 70 -4.744 6.793 -7.539 637 HA LYS 70 HA LYS 70 -6.376 4.738 -6.402 638 1HB LYS 70 1HB LYS 70 -3.930 4.836 -8.148 639 2HB LYS 70 2HB LYS 70 -4.394 3.328 -7.385 640 1HG LYS 70 1HG LYS 70 -5.615 3.166 -9.362 641 2HG LYS 70 2HG LYS 70 -6.812 3.927 -8.333 642 1HD LYS 70 1HD LYS 70 -6.564 6.031 -9.349 643 2HD LYS 70 2HD LYS 70 -4.914 5.717 -9.851 644 1HE LYS 70 1HE LYS 70 -7.202 4.102 -11.029 645 2HE LYS 70 2HE LYS 70 -6.829 5.693 -11.661 646 QB LYS 70 QB LYS 70 -4.162 4.082 -7.766 647 QD LYS 70 QD LYS 70 -5.739 5.874 -9.600 648 QG LYS 70 QG LYS 70 -6.213 3.547 -8.847 649 QE LYS 70 QE LYS 70 -7.015 4.898 -11.345 650 QZ LYS 70 QZ LYS 70 -4.945 3.787 -11.809 651 H GLN 71 H GLN 71 -2.801 4.682 -6.239 652 HA GLN 71 HA GLN 71 -2.652 3.420 -3.882 653 1HB GLN 71 1HB GLN 71 -0.858 4.727 -5.647 654 2HB GLN 71 2HB GLN 71 -0.503 5.390 -4.064 655 1HG GLN 71 1HG GLN 71 -0.919 2.488 -3.914 656 2HG GLN 71 2HG GLN 71 0.329 2.881 -5.080 657 2HE2 GLN 71 1HE2 GLN 71 -0.045 1.952 -2.072 658 1HE2 GLN 71 2HE2 GLN 71 1.254 2.751 -1.250 659 QB GLN 71 QB GLN 71 -0.680 5.058 -4.855 660 QG GLN 71 QG GLN 71 -0.295 2.685 -4.497 661 QE GLN 71 QE GLN 71 0.604 2.351 -1.661 662 H GLU 72 H GLU 72 -2.653 7.014 -4.384 663 HA GLU 72 HA GLU 72 -2.235 7.912 -1.936 664 1HB GLU 72 1HB GLU 72 -3.915 8.801 -4.213 665 2HB GLU 72 2HB GLU 72 -4.380 9.505 -2.677 666 1HG GLU 72 1HG GLU 72 -1.524 9.592 -2.749 667 2HG GLU 72 2HG GLU 72 -2.062 10.108 -4.335 668 HE2 GLU 72 HE2 GLU 72 -3.237 12.692 -3.972 669 QB GLU 72 QB GLU 72 -4.147 9.153 -3.445 670 QG GLU 72 QG GLU 72 -1.793 9.850 -3.542 671 H PHE 73 H PHE 73 -5.632 7.263 -3.084 672 HA PHE 73 HA PHE 73 -6.764 7.406 -0.562 673 1HB PHE 73 1HB PHE 73 -8.079 7.503 -2.632 674 2HB PHE 73 2HB PHE 73 -7.422 5.979 -3.195 675 HD1 PHE 73 HD1 PHE 73 -7.977 3.895 -1.689 676 HD2 PHE 73 HD2 PHE 73 -10.174 7.526 -1.647 677 HE1 PHE 73 HE1 PHE 73 -9.955 2.687 -0.726 678 HE2 PHE 73 HE2 PHE 73 -12.152 6.318 -0.684 679 HZ PHE 73 HZ PHE 73 -12.019 3.913 -0.235 680 QB PHE 73 QB PHE 73 -7.750 6.741 -2.913 681 QD PHE 73 QD PHE 73 -9.075 5.711 -1.668 682 QE PHE 73 QE PHE 73 -11.054 4.503 -0.705 683 QR PHE 73 QR PHE 73 -10.064 5.107 -1.187 684 H PHE 74 H PHE 74 -5.508 4.571 -2.426 685 HA PHE 74 HA PHE 74 -6.352 2.640 -0.597 686 1HB PHE 74 1HB PHE 74 -4.548 2.996 -2.938 687 2HB PHE 74 2HB PHE 74 -3.934 1.786 -1.829 688 HD1 PHE 74 HD1 PHE 74 -7.331 2.684 -3.119 689 HD2 PHE 74 HD2 PHE 74 -4.429 -0.351 -2.503 690 HE1 PHE 74 HE1 PHE 74 -8.897 0.987 -4.102 691 HE2 PHE 74 HE2 PHE 74 -5.996 -2.048 -3.486 692 HZ PHE 74 HZ PHE 74 -8.211 -1.358 -4.274 693 QB PHE 74 QB PHE 74 -4.241 2.391 -2.383 694 QD PHE 74 QD PHE 74 -5.880 1.167 -2.811 695 QE PHE 74 QE PHE 74 -7.447 -0.530 -3.794 696 QR PHE 74 QR PHE 74 -6.663 0.318 -3.302 697 H VAL 75 H VAL 75 -4.023 5.123 -0.249 698 HA VAL 75 HA VAL 75 -2.376 3.551 1.570 699 HB VAL 75 HB VAL 75 -2.120 6.067 0.034 700 1HG1 VAL 75 1HG1 VAL 75 -0.744 5.705 2.718 701 2HG1 VAL 75 2HG1 VAL 75 -0.346 6.950 1.510 702 3HG1 VAL 75 3HG1 VAL 75 -1.940 6.956 2.300 703 1HG2 VAL 75 1HG2 VAL 75 -0.863 3.545 0.159 704 2HG2 VAL 75 2HG2 VAL 75 -0.420 4.934 -0.862 705 3HG2 VAL 75 3HG2 VAL 75 0.341 4.723 0.733 706 MG1 VAL 75 MG1 VAL 75 -1.010 6.537 2.176 707 MG2 VAL 75 MG2 VAL 75 -0.314 4.401 0.010 708 QG VAL 75 QG VAL 75 -0.662 5.469 1.093 709 H ALA 76 H ALA 76 -4.224 6.685 1.540 710 HA ALA 76 HA ALA 76 -4.081 7.178 4.240 711 1HB ALA 76 1HB ALA 76 -6.160 7.814 2.123 712 2HB ALA 76 3HB ALA 76 -4.878 8.869 2.764 713 3HB ALA 76 2HB ALA 76 -6.270 8.440 3.786 714 MB ALA 76 MB ALA 76 -5.769 8.374 2.891 715 H LEU 77 H LEU 77 -6.027 4.830 2.428 716 HA LEU 77 HA LEU 77 -7.944 4.371 4.434 717 1HB LEU 77 1HB LEU 77 -7.411 3.520 1.817 718 2HB LEU 77 2HB LEU 77 -7.376 2.063 2.789 719 HG LEU 77 HG LEU 77 -9.656 4.018 2.454 720 1HD1 LEU 77 1HD1 LEU 77 -8.978 1.845 0.956 721 2HD1 LEU 77 2HD1 LEU 77 -10.088 1.119 2.144 722 3HD1 LEU 77 3HD1 LEU 77 -10.630 2.484 1.137 723 1HD2 LEU 77 1HD2 LEU 77 -9.044 2.758 4.852 724 2HD2 LEU 77 2HD2 LEU 77 -10.622 3.426 4.370 725 3HD2 LEU 77 3HD2 LEU 77 -10.269 1.701 4.109 726 MD1 LEU 77 MD1 LEU 77 -9.898 1.816 1.412 727 MD2 LEU 77 MD2 LEU 77 -9.978 2.629 4.443 728 QB LEU 77 QB LEU 77 -7.394 2.791 2.303 729 QD LEU 77 QD LEU 77 -9.938 2.222 2.928 730 H ARG 78 H ARG 78 -5.266 2.144 3.400 731 HA ARG 78 HA ARG 78 -5.377 0.559 5.576 732 1HB ARG 78 1HB ARG 78 -3.173 1.332 3.658 733 2HB ARG 78 2HB ARG 78 -2.734 0.367 5.054 734 1HG ARG 78 1HG ARG 78 -4.794 -0.340 2.917 735 2HG ARG 78 2HG ARG 78 -3.259 -1.136 3.199 736 1HD ARG 78 1HD ARG 78 -4.497 -2.602 4.454 737 2HD ARG 78 2HD ARG 78 -4.393 -1.371 5.697 738 HE ARG 78 HE ARG 78 -6.583 -0.501 4.370 739 1HH1 ARG 78 1HH1 ARG 78 -5.709 -3.789 5.360 740 2HH1 ARG 78 2HH1 ARG 78 -7.353 -4.311 5.521 741 2HH2 ARG 78 HH2 ARG 78 -9.125 -2.765 5.058 742 QB ARG 78 QB ARG 78 -2.953 0.850 4.356 743 QG ARG 78 QG ARG 78 -4.027 -0.738 3.058 744 QD ARG 78 QD ARG 78 -4.445 -1.986 5.076 745 QH1 ARG 78 QH1 ARG 78 -6.531 -4.050 5.440 746 H LEU 79 H LEU 79 -3.593 3.660 5.125 747 HA LEU 79 HA LEU 79 -1.975 3.677 7.300 748 1HB LEU 79 1HB LEU 79 -2.425 5.403 5.409 749 2HB LEU 79 2HB LEU 79 -3.566 6.105 6.540 750 HG LEU 79 HG LEU 79 -0.591 5.737 6.987 751 1HD1 LEU 79 1HD1 LEU 79 -2.208 7.889 5.858 752 2HD1 LEU 79 2HD1 LEU 79 -1.209 8.424 7.231 753 3HD1 LEU 79 3HD1 LEU 79 -0.446 7.636 5.829 754 1HD2 LEU 79 1HD2 LEU 79 -2.793 6.244 8.865 755 2HD2 LEU 79 2HD2 LEU 79 -1.131 5.680 9.158 756 3HD2 LEU 79 3HD2 LEU 79 -1.459 7.419 8.966 757 MD1 LEU 79 MD1 LEU 79 -1.287 7.983 6.306 758 MD2 LEU 79 MD2 LEU 79 -1.794 6.448 8.997 759 QB LEU 79 QB LEU 79 -2.996 5.754 5.974 760 QD LEU 79 QD LEU 79 -1.541 7.215 7.651 761 H VAL 80 H VAL 80 -5.511 4.392 7.178 762 HA VAL 80 HA VAL 80 -5.837 5.233 9.773 763 HB VAL 80 HB VAL 80 -7.650 3.610 7.979 764 1HG1 VAL 80 1HG1 VAL 80 -8.103 3.737 10.585 765 2HG1 VAL 80 2HG1 VAL 80 -8.699 5.363 10.174 766 3HG1 VAL 80 3HG1 VAL 80 -9.425 3.929 9.409 767 1HG2 VAL 80 1HG2 VAL 80 -6.754 6.344 7.919 768 2HG2 VAL 80 2HG2 VAL 80 -7.849 5.493 6.803 769 3HG2 VAL 80 3HG2 VAL 80 -8.503 6.302 8.247 770 MG1 VAL 80 MG1 VAL 80 -8.742 4.343 10.056 771 MG2 VAL 80 MG2 VAL 80 -7.702 6.046 7.657 772 QG VAL 80 QG VAL 80 -8.222 5.195 8.856 773 H ALA 81 H ALA 81 -5.646 1.893 8.429 774 HA ALA 81 HA ALA 81 -6.314 0.557 10.779 775 1HB ALA 81 1HB ALA 81 -5.997 -0.235 8.294 776 2HB ALA 81 3HB ALA 81 -5.633 -1.358 9.625 777 3HB ALA 81 2HB ALA 81 -4.310 -0.510 8.790 778 MB ALA 81 MB ALA 81 -5.314 -0.701 8.903 779 H CYS 82 H CYS 82 -3.532 2.459 9.924 780 HA CYS 82 HA CYS 82 -1.673 1.099 11.567 781 1HB CYS 82 1HB CYS 82 -1.409 2.919 9.593 782 2HB CYS 82 2HB CYS 82 -1.286 3.993 10.972 783 HG CYS 82 HG CYS 82 0.580 1.718 10.099 784 QB CYS 82 QB CYS 82 -1.347 3.456 10.282 785 H ALA 83 H ALA 83 -3.023 4.466 11.892 786 HA ALA 83 HA ALA 83 -2.439 4.781 14.551 787 1HB ALA 83 2HB ALA 83 -4.692 6.285 14.266 788 2HB ALA 83 1HB ALA 83 -4.290 5.987 12.558 789 3HB ALA 83 3HB ALA 83 -3.099 6.762 13.630 790 MB ALA 83 MB ALA 83 -4.027 6.345 13.485 791 H GLN 84 H GLN 84 -4.859 2.761 13.023 792 HA GLN 84 HA GLN 84 -6.728 2.686 15.048 793 1HB GLN 84 1HB GLN 84 -5.895 0.758 12.870 794 2HB GLN 84 2HB GLN 84 -7.091 0.261 14.051 795 1HG GLN 84 1HG GLN 84 -7.666 2.959 13.046 796 2HG GLN 84 2HG GLN 84 -7.545 1.812 11.727 797 2HE2 GLN 84 1HE2 GLN 84 -9.906 2.896 12.063 798 1HE2 GLN 84 2HE2 GLN 84 -11.061 1.820 12.777 799 QB GLN 84 QB GLN 84 -6.493 0.509 13.460 800 QG GLN 84 QG GLN 84 -7.605 2.385 12.386 801 QE GLN 84 QE GLN 84 -10.484 2.358 12.420 802 H ASN 85 H ASN 85 -3.498 1.296 14.792 803 HA ASN 85 HA ASN 85 -4.041 -0.422 17.058 804 1HB ASN 85 1HB ASN 85 -2.791 -1.534 15.309 805 2HB ASN 85 2HB ASN 85 -1.717 -0.166 15.098 806 2HD2 ASN 85 1HD2 ASN 85 -2.441 -3.016 16.878 807 1HD2 ASN 85 2HD2 ASN 85 -1.050 -3.054 17.909 808 QB ASN 85 QB ASN 85 -2.254 -0.850 15.203 809 QD ASN 85 QD ASN 85 -1.746 -3.035 17.394 810 H GLY 86 H GLY 86 -2.880 2.709 16.214 811 1HA GLY 86 1HA GLY 86 -2.377 4.287 17.894 812 2HA GLY 86 2HA GLY 86 -1.656 3.025 18.873 813 QA GLY 86 QA GLY 86 -2.017 3.656 18.383 814 H LEU 87 H LEU 87 -0.874 2.679 15.522 815 HA LEU 87 HA LEU 87 1.856 3.345 16.075 816 1HB LEU 87 1HB LEU 87 0.494 2.430 13.538 817 2HB LEU 87 2HB LEU 87 2.225 2.571 13.770 818 HG LEU 87 HG LEU 87 0.385 0.694 15.282 819 1HD1 LEU 87 1HD1 LEU 87 1.792 0.465 12.740 820 2HD1 LEU 87 2HD1 LEU 87 2.256 -0.809 13.893 821 3HD1 LEU 87 3HD1 LEU 87 0.544 -0.579 13.462 822 1HD2 LEU 87 1HD2 LEU 87 3.210 1.492 15.688 823 2HD2 LEU 87 2HD2 LEU 87 2.004 0.877 16.843 824 3HD2 LEU 87 3HD2 LEU 87 2.862 -0.252 15.768 825 MD1 LEU 87 MD1 LEU 87 1.531 -0.308 13.365 826 MD2 LEU 87 MD2 LEU 87 2.692 0.706 16.100 827 QB LEU 87 QB LEU 87 1.359 2.500 13.654 828 QD LEU 87 QD LEU 87 2.111 0.199 14.732 829 H GLU 88 H GLU 88 3.003 4.611 14.094 830 HA GLU 88 HA GLU 88 2.288 7.229 14.440 831 1HB GLU 88 1HB GLU 88 4.422 5.918 13.347 832 2HB GLU 88 2HB GLU 88 3.674 6.531 11.885 833 1HG GLU 88 1HG GLU 88 3.671 8.839 12.850 834 2HG GLU 88 2HG GLU 88 4.407 8.229 14.319 835 HE2 GLU 88 HE2 GLU 88 6.284 9.192 14.121 836 QB GLU 88 QB GLU 88 4.048 6.225 12.616 837 QG GLU 88 QG GLU 88 4.039 8.534 13.584 838 H VAL 89 H VAL 89 1.721 8.815 12.558 839 HA VAL 89 HA VAL 89 -0.556 7.643 11.126 840 HB VAL 89 HB VAL 89 -0.011 10.532 11.831 841 1HG1 VAL 89 1HG1 VAL 89 -1.985 9.200 10.166 842 2HG1 VAL 89 2HG1 VAL 89 -2.760 10.086 11.502 843 3HG1 VAL 89 3HG1 VAL 89 -1.667 10.938 10.386 844 1HG2 VAL 89 1HG2 VAL 89 -0.384 8.797 13.760 845 2HG2 VAL 89 2HG2 VAL 89 -1.277 10.337 13.763 846 3HG2 VAL 89 3HG2 VAL 89 -2.078 8.843 13.218 847 MG1 VAL 89 MG1 VAL 89 -2.137 10.075 10.685 848 MG2 VAL 89 MG2 VAL 89 -1.246 9.326 13.580 849 QG VAL 89 QG VAL 89 -1.692 9.700 12.132 850 H SER 90 H SER 90 2.663 8.738 10.782 851 HA SER 90 HA SER 90 2.201 9.676 8.089 852 1HB SER 90 1HB SER 90 4.558 9.709 9.987 853 2HB SER 90 2HB SER 90 4.829 9.943 8.272 854 HG SER 90 HG SER 90 3.644 11.660 10.157 855 QB SER 90 QB SER 90 4.694 9.826 9.130 856 H LEU 91 H LEU 91 3.302 8.691 6.234 857 HA LEU 91 HA LEU 91 3.192 5.922 6.221 858 1HB LEU 91 1HB LEU 91 4.091 8.070 4.401 859 2HB LEU 91 2HB LEU 91 4.770 6.484 4.094 860 HG LEU 91 HG LEU 91 1.793 6.901 4.381 861 1HD1 LEU 91 1HD1 LEU 91 2.701 8.422 2.624 862 2HD1 LEU 91 2HD1 LEU 91 3.331 6.991 1.774 863 3HD1 LEU 91 3HD1 LEU 91 1.578 7.185 2.010 864 1HD2 LEU 91 1HD2 LEU 91 3.441 4.622 4.071 865 2HD2 LEU 91 2HD2 LEU 91 1.663 4.714 4.049 866 3HD2 LEU 91 3HD2 LEU 91 2.581 4.856 2.531 867 MD1 LEU 91 MD1 LEU 91 2.537 7.533 2.136 868 MD2 LEU 91 MD2 LEU 91 2.562 4.731 3.551 869 QB LEU 91 QB LEU 91 4.430 7.277 4.247 870 QD LEU 91 QD LEU 91 2.549 6.132 2.843 871 H SER 92 H SER 92 5.694 8.133 7.293 872 HA SER 92 HA SER 92 7.937 6.666 6.886 873 1HB SER 92 1HB SER 92 7.045 8.659 8.938 874 2HB SER 92 2HB SER 92 8.485 7.740 9.326 875 HG SER 92 HG SER 92 8.492 8.689 6.697 876 QB SER 92 QB SER 92 7.765 8.200 9.132 877 H SER 93 H SER 93 5.184 5.953 8.912 878 HA SER 93 HA SER 93 6.724 3.792 10.125 879 1HB SER 93 1HB SER 93 5.505 5.828 11.509 880 2HB SER 93 2HB SER 93 4.205 4.653 11.471 881 HG SER 93 HG SER 93 6.565 4.629 12.934 882 QB SER 93 QB SER 93 4.855 5.240 11.490 883 H LEU 94 H LEU 94 5.386 3.785 7.510 884 HA LEU 94 HA LEU 94 3.108 2.026 8.088 885 1HB LEU 94 1HB LEU 94 3.688 4.012 5.956 886 2HB LEU 94 2HB LEU 94 2.826 2.562 5.482 887 HG LEU 94 HG LEU 94 1.318 4.431 5.998 888 1HD1 LEU 94 1HD1 LEU 94 1.224 1.845 7.457 889 2HD1 LEU 94 2HD1 LEU 94 0.068 3.100 7.962 890 3HD1 LEU 94 3HD1 LEU 94 0.096 2.544 6.271 891 1HD2 LEU 94 1HD2 LEU 94 3.037 4.784 8.239 892 2HD2 LEU 94 2HD2 LEU 94 1.668 5.791 7.711 893 3HD2 LEU 94 3HD2 LEU 94 1.399 4.449 8.848 894 MD1 LEU 94 MD1 LEU 94 0.463 2.496 7.230 895 MD2 LEU 94 MD2 LEU 94 2.035 5.008 8.266 896 QB LEU 94 QB LEU 94 3.257 3.287 5.719 897 QD LEU 94 QD LEU 94 1.249 3.752 7.748 898 H SER 95 H SER 95 2.889 0.502 5.885 899 HA SER 95 HA SER 95 3.686 -1.200 4.794 900 1HB SER 95 1HB SER 95 5.756 -1.085 3.729 901 2HB SER 95 2HB SER 95 5.500 0.600 4.134 902 HG SER 95 HG SER 95 7.003 0.502 5.757 903 QB SER 95 QB SER 95 5.628 -0.243 3.931 904 H LEU 96 H LEU 96 3.212 -1.368 7.615 905 HA LEU 96 HA LEU 96 5.277 -3.308 8.396 906 1HB LEU 96 1HB LEU 96 3.562 -1.981 10.434 907 2HB LEU 96 2HB LEU 96 5.190 -2.617 10.570 908 HG LEU 96 HG LEU 96 4.607 -0.141 8.946 909 1HD1 LEU 96 1HD1 LEU 96 4.802 -0.422 11.922 910 2HD1 LEU 96 2HD1 LEU 96 5.492 1.017 11.133 911 3HD1 LEU 96 3HD1 LEU 96 3.765 0.636 10.935 912 1HD2 LEU 96 1HD2 LEU 96 7.020 -1.572 9.913 913 2HD2 LEU 96 2HD2 LEU 96 6.753 -0.629 8.428 914 3HD2 LEU 96 3HD2 LEU 96 7.069 0.207 9.967 915 MD1 LEU 96 MD1 LEU 96 4.686 0.410 11.330 916 MD2 LEU 96 MD2 LEU 96 6.947 -0.665 9.436 917 QB LEU 96 QB LEU 96 4.376 -2.299 10.502 918 QD LEU 96 QD LEU 96 5.817 -0.127 10.383 919 H ALA 97 H ALA 97 3.708 -4.315 10.632 920 HA ALA 97 HA ALA 97 1.710 -5.789 9.069 921 1HB ALA 97 2HB ALA 97 2.546 -6.809 11.721 922 2HB ALA 97 3HB ALA 97 2.387 -7.659 10.166 923 3HB ALA 97 1HB ALA 97 3.853 -6.712 10.517 924 MB ALA 97 MB ALA 97 2.928 -7.060 10.801 925 H VAL 98 H VAL 98 0.630 -3.457 9.572 926 HA VAL 98 HA VAL 98 -0.387 -3.165 12.207 927 HB VAL 98 HB VAL 98 -1.588 -1.322 11.318 928 1HG1 VAL 98 1HG1 VAL 98 1.201 -1.700 10.844 929 2HG1 VAL 98 2HG1 VAL 98 0.538 -0.754 9.490 930 3HG1 VAL 98 3HG1 VAL 98 0.322 -0.185 11.163 931 1HG2 VAL 98 1HG2 VAL 98 -2.520 -2.545 9.336 932 2HG2 VAL 98 2HG2 VAL 98 -1.958 -0.894 8.979 933 3HG2 VAL 98 3HG2 VAL 98 -0.962 -2.293 8.512 934 MG1 VAL 98 MG1 VAL 98 0.687 -0.879 10.499 935 MG2 VAL 98 MG2 VAL 98 -1.813 -1.910 8.942 936 QG VAL 98 QG VAL 98 -0.563 -1.395 9.721 937 HA PRO 99 HA PRO 99 -3.884 -5.686 11.939 938 1HB PRO 99 1HB PRO 99 -5.644 -4.435 13.615 939 2HB PRO 99 2HB PRO 99 -4.334 -5.450 14.185 940 1HG PRO 99 1HG PRO 99 -4.544 -2.502 14.220 941 2HG PRO 99 2HG PRO 99 -3.474 -3.537 15.144 942 1HD PRO 99 1HD PRO 99 -2.782 -1.973 12.841 943 2HD PRO 99 2HD PRO 99 -1.744 -3.097 13.695 944 QB PRO 99 QB PRO 99 -4.989 -4.943 13.900 945 QG PRO 99 QG PRO 99 -4.009 -3.019 14.682 946 QD PRO 99 QD PRO 99 -2.263 -2.535 13.268 947 HA PRO 100 HA PRO 100 -6.849 -4.373 9.196 948 1HB PRO 100 1HB PRO 100 -9.155 -5.660 9.902 949 2HB PRO 100 2HB PRO 100 -7.856 -6.436 9.018 950 1HG PRO 100 1HG PRO 100 -8.601 -6.739 11.862 951 2HG PRO 100 2HG PRO 100 -7.612 -7.790 10.869 952 1HD PRO 100 1HD PRO 100 -6.689 -5.933 12.851 953 2HD PRO 100 2HD PRO 100 -5.697 -6.899 11.777 954 QB PRO 100 QB PRO 100 -8.505 -6.048 9.460 955 QG PRO 100 QG PRO 100 -8.107 -7.264 11.366 956 QD PRO 100 QD PRO 100 -6.193 -6.416 12.314 957 HA PRO 101 HA PRO 101 -8.904 -0.960 10.668 958 1HB PRO 101 1HB PRO 101 -10.226 -0.139 8.421 959 2HB PRO 101 2HB PRO 101 -8.539 0.224 8.727 960 1HG PRO 101 1HG PRO 101 -9.700 -1.750 6.858 961 2HG PRO 101 2HG PRO 101 -8.083 -1.076 6.878 962 1HD PRO 101 1HD PRO 101 -8.866 -3.686 7.774 963 2HD PRO 101 2HD PRO 101 -7.272 -2.969 7.900 964 QB PRO 101 QB PRO 101 -9.382 0.042 8.574 965 QG PRO 101 QG PRO 101 -8.891 -1.413 6.868 966 QD PRO 101 QD PRO 101 -8.069 -3.328 7.837 967 H ARG 102 H ARG 102 -11.369 0.119 10.002 968 HA ARG 102 HA ARG 102 -12.982 -1.943 11.232 969 1HB ARG 102 1HB ARG 102 -12.679 0.701 11.899 970 2HB ARG 102 2HB ARG 102 -14.072 0.827 10.844 971 1HG ARG 102 1HG ARG 102 -15.444 -0.044 12.430 972 2HG ARG 102 2HG ARG 102 -14.417 -1.451 12.625 973 1HD ARG 102 1HD ARG 102 -12.955 -0.222 14.195 974 2HD ARG 102 2HD ARG 102 -13.855 1.257 13.928 975 HE ARG 102 HE ARG 102 -15.639 -0.849 14.780 976 1HH1 ARG 102 1HH1 ARG 102 -13.183 1.380 16.025 977 2HH1 ARG 102 2HH1 ARG 102 -13.829 1.392 17.632 978 2HH2 ARG 102 HH2 ARG 102 -15.776 0.083 18.123 979 QB ARG 102 QB ARG 102 -13.376 0.764 11.372 980 QG ARG 102 QG ARG 102 -14.930 -0.747 12.527 981 QD ARG 102 QD ARG 102 -13.405 0.517 14.062 982 QH1 ARG 102 QH1 ARG 102 -13.506 1.386 16.828 983 H PHE 103 H PHE 103 -12.616 0.075 8.327 984 HA PHE 103 HA PHE 103 -15.003 0.130 7.160 985 1HB PHE 103 1HB PHE 103 -12.502 -0.995 5.782 986 2HB PHE 103 2HB PHE 103 -13.726 0.025 5.053 987 HD1 PHE 103 HD1 PHE 103 -14.015 2.384 6.298 988 HD2 PHE 103 HD2 PHE 103 -10.508 -0.004 6.367 989 HE1 PHE 103 HE1 PHE 103 -12.642 4.415 6.838 990 HE2 PHE 103 HE2 PHE 103 -9.135 2.026 6.907 991 HZ PHE 103 HZ PHE 103 -10.219 4.212 7.136 992 QB PHE 103 QB PHE 103 -13.114 -0.485 5.418 993 QD PHE 103 QD PHE 103 -12.261 1.190 6.332 994 QE PHE 103 QE PHE 103 -10.889 3.221 6.873 995 QR PHE 103 QR PHE 103 -11.575 2.205 6.602 996 H HIS 104 H HIS 104 -16.037 -1.249 5.432 997 HA HIS 104 HA HIS 104 -16.522 -3.808 6.473 998 1HB HIS 104 1HB HIS 104 -17.916 -2.134 4.927 999 2HB HIS 104 2HB HIS 104 -17.239 -3.129 3.653 1000 HD1 HIS 104 HD1 HIS 104 -18.149 -5.524 3.377 1001 HD2 HIS 104 HD2 HIS 104 -19.712 -3.503 6.703 1002 HE1 HIS 104 HE1 HIS 104 -20.093 -6.942 4.227 1003 QB HIS 104 QB HIS 104 -17.578 -2.632 4.290 1004 H ASP 105 H ASP 105 -16.485 -5.780 4.766 1005 HA ASP 105 HA ASP 105 -14.317 -5.802 3.001 1006 1HB ASP 105 1HB ASP 105 -13.620 -6.217 5.721 1007 2HB ASP 105 2HB ASP 105 -13.655 -7.824 5.021 1008 HD2 ASP 105 HD2 ASP 105 -12.463 -7.748 2.792 1009 QB ASP 105 QB ASP 105 -13.637 -7.021 5.371 No H/Q in entry = 1009 Start of MODEL 7 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.257 1.040 -1.516 3 1HB LEU 7 2HB LEU 7 4.037 -0.487 -1.943 4 2HB LEU 7 1HB LEU 7 3.287 -1.742 -0.978 5 HG LEU 7 HG LEU 7 3.850 -0.722 1.047 6 1HD1 LEU 7 1HD1 LEU 7 5.890 -1.007 -0.960 7 2HD1 LEU 7 2HD1 LEU 7 6.336 0.289 0.176 8 3HD1 LEU 7 3HD1 LEU 7 5.963 -1.341 0.787 9 1HD2 LEU 7 1HD2 LEU 7 3.000 1.543 0.383 10 2HD2 LEU 7 2HD2 LEU 7 4.471 1.556 1.385 11 3HD2 LEU 7 3HD2 LEU 7 4.585 1.851 -0.367 12 MD1 LEU 7 MD1 LEU 7 6.063 -0.686 0.001 13 MD2 LEU 7 MD2 LEU 7 4.019 1.650 0.467 14 QB LEU 7 QB LEU 7 3.662 -1.114 -1.461 15 QD LEU 7 QD LEU 7 5.041 0.482 0.234 16 H SER 8 H SER 8 2.915 -1.211 -3.377 17 HA SER 8 HA SER 8 0.931 -1.040 -5.103 18 1HB SER 8 1HB SER 8 1.713 -3.751 -5.334 19 2HB SER 8 2HB SER 8 2.391 -2.377 -6.185 20 HG SER 8 HG SER 8 4.186 -2.957 -5.146 21 QB SER 8 QB SER 8 2.052 -3.064 -5.760 22 H LEU 9 H LEU 9 -0.888 -2.484 -5.774 23 HA LEU 9 HA LEU 9 -2.772 -2.862 -3.903 24 1HB LEU 9 2HB LEU 9 -3.886 -4.323 -5.454 25 2HB LEU 9 1HB LEU 9 -2.384 -4.674 -6.286 26 HG LEU 9 HG LEU 9 -2.296 -2.574 -7.312 27 1HD1 LEU 9 1HD1 LEU 9 -5.010 -3.797 -7.230 28 2HD1 LEU 9 2HD1 LEU 9 -4.845 -2.203 -8.005 29 3HD1 LEU 9 3HD1 LEU 9 -3.882 -3.581 -8.590 30 1HD2 LEU 9 1HD2 LEU 9 -3.970 -1.684 -5.016 31 2HD2 LEU 9 2HD2 LEU 9 -2.570 -0.906 -5.795 32 3HD2 LEU 9 3HD2 LEU 9 -4.173 -0.830 -6.564 33 MD1 LEU 9 MD1 LEU 9 -4.579 -3.193 -7.942 34 MD2 LEU 9 MD2 LEU 9 -3.571 -1.140 -5.792 35 QB LEU 9 QB LEU 9 -3.135 -4.499 -5.870 36 QD LEU 9 QD LEU 9 -4.075 -2.167 -6.867 37 H THR 10 H THR 10 -0.065 -5.065 -4.701 38 HA THR 10 HA THR 10 -0.915 -7.321 -3.352 39 HB THR 10 HB THR 10 1.836 -6.084 -3.852 40 HG1 THR 10 HG1 THR 10 0.489 -6.797 -5.673 41 1HG2 THR 10 1HG2 THR 10 1.464 -8.056 -1.978 42 2HG2 THR 10 2HG2 THR 10 1.497 -9.037 -3.463 43 3HG2 THR 10 3HG2 THR 10 2.882 -7.996 -3.054 44 MG THR 10 MG THR 10 1.948 -8.363 -2.832 45 H GLN 11 H GLN 11 0.961 -4.509 -2.049 46 HA GLN 11 HA GLN 11 0.855 -5.615 0.556 47 1HB GLN 11 1HB GLN 11 2.149 -3.375 -0.797 48 2HB GLN 11 2HB GLN 11 1.480 -2.852 0.737 49 1HG GLN 11 1HG GLN 11 2.791 -5.466 0.999 50 2HG GLN 11 2HG GLN 11 3.893 -4.277 0.335 51 2HE2 GLN 11 1HE2 GLN 11 2.394 -5.490 3.095 52 1HE2 GLN 11 2HE2 GLN 11 2.854 -4.281 4.247 53 QB GLN 11 QB GLN 11 1.814 -3.114 -0.030 54 QG GLN 11 QG GLN 11 3.342 -4.872 0.667 55 QE GLN 11 QE GLN 11 2.624 -4.886 3.671 56 H LEU 12 H LEU 12 -1.060 -3.318 -1.376 57 HA LEU 12 HA LEU 12 -2.395 -1.938 0.557 58 1HB LEU 12 1HB LEU 12 -2.493 -2.049 -2.106 59 2HB LEU 12 2HB LEU 12 -3.947 -2.966 -1.763 60 HG LEU 12 HG LEU 12 -4.636 -0.735 -2.083 61 1HD1 LEU 12 1HD1 LEU 12 -5.395 -2.040 0.065 62 2HD1 LEU 12 2HD1 LEU 12 -4.533 -0.732 0.911 63 3HD1 LEU 12 3HD1 LEU 12 -5.878 -0.345 -0.190 64 1HD2 LEU 12 1HD2 LEU 12 -2.271 0.000 -0.374 65 2HD2 LEU 12 2HD2 LEU 12 -2.714 0.569 -2.001 66 3HD2 LEU 12 3HD2 LEU 12 -3.639 1.120 -0.583 67 MD1 LEU 12 MD1 LEU 12 -5.269 -1.039 0.262 68 MD2 LEU 12 MD2 LEU 12 -2.875 0.563 -0.986 69 QB LEU 12 QB LEU 12 -3.220 -2.508 -1.935 70 QD LEU 12 QD LEU 12 -4.072 -0.238 -0.362 71 H SER 13 H SER 13 -2.972 -5.295 -0.614 72 HA SER 13 HA SER 13 -4.044 -6.010 1.866 73 1HB SER 13 1HB SER 13 -5.944 -5.132 -0.233 74 2HB SER 13 2HB SER 13 -6.305 -6.720 0.415 75 HG SER 13 HG SER 13 -6.460 -4.193 1.646 76 QB SER 13 QB SER 13 -6.125 -5.926 0.091 77 H SER 14 H SER 14 -1.958 -7.166 0.767 78 HA SER 14 HA SER 14 -1.073 -8.971 -0.054 79 1HB SER 14 1HB SER 14 -3.394 -9.812 1.383 80 2HB SER 14 2HB SER 14 -3.320 -10.815 -0.052 81 HG SER 14 HG SER 14 -1.027 -11.244 0.520 82 QB SER 14 QB SER 14 -3.357 -10.313 0.666 83 H GLY 15 H GLY 15 -2.827 -7.117 -1.823 84 1HA GLY 15 1HA GLY 15 -3.107 -6.970 -4.065 85 2HA GLY 15 2HA GLY 15 -2.475 -8.594 -4.251 86 QA GLY 15 QA GLY 15 -2.791 -7.782 -4.158 87 H ASN 16 H ASN 16 -5.240 -7.625 -2.151 88 HA ASN 16 HA ASN 16 -6.813 -9.703 -3.047 89 1HB ASN 16 1HB ASN 16 -6.973 -8.019 -0.950 90 2HB ASN 16 2HB ASN 16 -8.068 -7.148 -2.005 91 2HD2 ASN 16 1HD2 ASN 16 -8.345 -8.817 0.508 92 1HD2 ASN 16 2HD2 ASN 16 -9.637 -9.924 0.186 93 QB ASN 16 QB ASN 16 -7.521 -7.584 -1.478 94 QD ASN 16 QD ASN 16 -8.991 -9.371 0.347 95 HA PRO 17 HA PRO 17 -8.112 -7.744 -6.805 96 1HB PRO 17 1HB PRO 17 -9.498 -9.855 -7.851 97 2HB PRO 17 2HB PRO 17 -7.768 -9.654 -8.045 98 1HG PRO 17 1HG PRO 17 -9.231 -11.519 -6.278 99 2HG PRO 17 2HG PRO 17 -7.559 -11.585 -6.801 100 1HD PRO 17 1HD PRO 17 -8.522 -10.748 -4.232 101 2HD PRO 17 2HD PRO 17 -6.863 -10.705 -4.794 102 QB PRO 17 QB PRO 17 -8.633 -9.754 -7.948 103 QG PRO 17 QG PRO 17 -8.395 -11.552 -6.540 104 QD PRO 17 QD PRO 17 -7.693 -10.726 -4.513 105 H VAL 18 H VAL 18 -10.108 -9.052 -4.363 106 HA VAL 18 HA VAL 18 -12.611 -8.622 -5.246 107 HB VAL 18 HB VAL 18 -11.974 -9.475 -3.043 108 1HG1 VAL 18 1HG1 VAL 18 -10.225 -7.637 -2.670 109 2HG1 VAL 18 2HG1 VAL 18 -11.581 -6.621 -2.124 110 3HG1 VAL 18 3HG1 VAL 18 -11.199 -8.133 -1.266 111 1HG2 VAL 18 1HG2 VAL 18 -14.059 -7.412 -3.460 112 2HG2 VAL 18 2HG2 VAL 18 -14.197 -9.087 -2.874 113 3HG2 VAL 18 3HG2 VAL 18 -13.686 -7.794 -1.762 114 MG1 VAL 18 MG1 VAL 18 -11.001 -7.464 -2.020 115 MG2 VAL 18 MG2 VAL 18 -13.980 -8.098 -2.699 116 QG VAL 18 QG VAL 18 -12.491 -7.781 -2.359 117 H TYR 19 H TYR 19 -10.306 -6.110 -4.034 118 HA TYR 19 HA TYR 19 -12.107 -3.971 -4.300 119 1HB TYR 19 1HB TYR 19 -9.076 -4.424 -4.249 120 2HB TYR 19 2HB TYR 19 -9.696 -2.800 -4.466 121 HD1 TYR 19 HD1 TYR 19 -12.077 -2.906 -2.623 122 HD2 TYR 19 HD2 TYR 19 -8.068 -4.313 -2.124 123 HE1 TYR 19 HE1 TYR 19 -12.297 -2.658 -0.102 124 HE2 TYR 19 HE2 TYR 19 -8.301 -4.060 0.395 125 HH TYR 19 HH TYR 19 -10.596 -2.259 1.820 126 QB TYR 19 QB TYR 19 -9.386 -3.612 -4.358 127 QD TYR 19 QD TYR 19 -10.073 -3.609 -2.373 128 QE TYR 19 QE TYR 19 -10.298 -3.359 0.147 129 QR TYR 19 QR TYR 19 -10.186 -3.484 -1.113 130 H GLU 20 H GLU 20 -9.798 -5.543 -6.557 131 HA GLU 20 HA GLU 20 -9.772 -3.575 -8.471 132 1HB GLU 20 1HB GLU 20 -8.876 -6.286 -8.193 133 2HB GLU 20 2HB GLU 20 -9.707 -6.176 -9.732 134 1HG GLU 20 1HG GLU 20 -7.927 -3.864 -9.183 135 2HG GLU 20 2HG GLU 20 -7.077 -5.394 -9.266 136 HE2 GLU 20 HE2 GLU 20 -7.066 -6.410 -11.381 137 QB GLU 20 QB GLU 20 -9.291 -6.231 -8.963 138 QG GLU 20 QG GLU 20 -7.502 -4.629 -9.224 139 H LYS 21 H LYS 21 -12.182 -6.102 -7.729 140 HA LYS 21 HA LYS 21 -13.607 -6.038 -10.107 141 1HB LYS 21 1HB LYS 21 -14.432 -6.635 -7.257 142 2HB LYS 21 2HB LYS 21 -15.515 -6.825 -8.621 143 1HG LYS 21 1HG LYS 21 -12.906 -8.059 -9.167 144 2HG LYS 21 2HG LYS 21 -13.611 -8.702 -7.697 145 1HD LYS 21 1HD LYS 21 -15.318 -8.428 -10.190 146 2HD LYS 21 2HD LYS 21 -14.227 -9.789 -10.029 147 1HE LYS 21 1HE LYS 21 -15.933 -10.798 -8.894 148 2HE LYS 21 2HE LYS 21 -15.454 -9.790 -7.544 149 QB LYS 21 QB LYS 21 -14.974 -6.730 -7.939 150 QD LYS 21 QD LYS 21 -14.773 -9.109 -10.109 151 QG LYS 21 QG LYS 21 -13.259 -8.381 -8.432 152 QE LYS 21 QE LYS 21 -15.693 -10.294 -8.219 153 QZ LYS 21 QZ LYS 21 -17.245 -8.483 -8.566 154 H TYR 22 H TYR 22 -14.003 -4.076 -7.083 155 HA TYR 22 HA TYR 22 -16.130 -2.545 -8.136 156 1HB TYR 22 1HB TYR 22 -13.994 -2.054 -5.967 157 2HB TYR 22 2HB TYR 22 -15.469 -1.119 -6.108 158 HD1 TYR 22 HD1 TYR 22 -17.628 -2.925 -6.406 159 HD2 TYR 22 HD2 TYR 22 -14.035 -3.487 -4.152 160 HE1 TYR 22 HE1 TYR 22 -18.822 -4.593 -4.904 161 HE2 TYR 22 HE2 TYR 22 -15.241 -5.153 -2.657 162 HH TYR 22 HH TYR 22 -17.832 -5.439 -2.009 163 QB TYR 22 QB TYR 22 -14.731 -1.587 -6.037 164 QD TYR 22 QD TYR 22 -15.831 -3.206 -5.279 165 QE TYR 22 QE TYR 22 -17.032 -4.873 -3.781 166 QR TYR 22 QR TYR 22 -16.432 -4.039 -4.530 167 H TYR 23 H TYR 23 -12.561 -2.009 -7.856 168 HA TYR 23 HA TYR 23 -12.486 0.604 -8.718 169 1HB TYR 23 1HB TYR 23 -10.453 -0.394 -7.942 170 2HB TYR 23 2HB TYR 23 -10.758 -1.893 -8.797 171 HD1 TYR 23 HD1 TYR 23 -9.539 1.584 -9.169 172 HD2 TYR 23 HD2 TYR 23 -9.954 -2.242 -11.038 173 HE1 TYR 23 HE1 TYR 23 -7.945 2.304 -11.014 174 HE2 TYR 23 HE2 TYR 23 -8.359 -1.509 -12.877 175 HH TYR 23 HH TYR 23 -6.300 0.597 -12.739 176 QB TYR 23 QB TYR 23 -10.606 -1.144 -8.369 177 QD TYR 23 QD TYR 23 -9.747 -0.329 -10.103 178 QE TYR 23 QE TYR 23 -8.152 0.397 -11.946 179 QR TYR 23 QR TYR 23 -8.950 0.034 -11.024 180 H ARG 24 H ARG 24 -13.138 -2.361 -10.536 181 HA ARG 24 HA ARG 24 -12.607 -1.049 -13.023 182 1HB ARG 24 1HB ARG 24 -12.200 -3.551 -12.525 183 2HB ARG 24 2HB ARG 24 -13.939 -3.763 -12.581 184 1HG ARG 24 1HG ARG 24 -13.990 -3.664 -14.860 185 2HG ARG 24 2HG ARG 24 -12.956 -2.250 -14.908 186 1HD ARG 24 2HD ARG 24 -11.127 -4.157 -14.144 187 2HD ARG 24 1HD ARG 24 -11.410 -3.685 -15.808 188 HE ARG 24 HE ARG 24 -13.345 -5.637 -15.304 189 1HH1 ARG 24 1HH1 ARG 24 -9.807 -5.508 -15.148 190 2HH1 ARG 24 2HH1 ARG 24 -9.606 -7.192 -15.498 191 2HH2 ARG 24 HH2 ARG 24 -11.544 -8.555 -15.858 192 QB ARG 24 QB ARG 24 -13.069 -3.657 -12.553 193 QG ARG 24 QG ARG 24 -13.473 -2.957 -14.884 194 QD ARG 24 QD ARG 24 -11.268 -3.921 -14.976 195 QH1 ARG 24 QH1 ARG 24 -9.707 -6.350 -15.323 196 H GLN 25 H GLN 25 -15.265 -1.614 -10.806 197 HA GLN 25 HA GLN 25 -17.356 -1.555 -12.640 198 1HB GLN 25 1HB GLN 25 -17.121 -0.981 -9.675 199 2HB GLN 25 2HB GLN 25 -18.644 -0.718 -10.501 200 1HG GLN 25 1HG GLN 25 -18.352 -3.145 -11.424 201 2HG GLN 25 2HG GLN 25 -17.107 -3.328 -10.204 202 2HE2 GLN 25 1HE2 GLN 25 -20.322 -1.792 -10.382 203 1HE2 GLN 25 2HE2 GLN 25 -20.992 -2.524 -8.962 204 QB GLN 25 QB GLN 25 -17.882 -0.850 -10.088 205 QG GLN 25 QG GLN 25 -17.729 -3.236 -10.814 206 QE GLN 25 QE GLN 25 -20.657 -2.158 -9.672 207 H VAL 26 H VAL 26 -15.528 1.004 -10.903 208 HA VAL 26 HA VAL 26 -17.261 3.100 -11.723 209 HB VAL 26 HB VAL 26 -15.850 4.472 -10.558 210 1HG1 VAL 26 1HG1 VAL 26 -16.603 2.362 -9.243 211 2HG1 VAL 26 2HG1 VAL 26 -14.882 1.908 -9.299 212 3HG1 VAL 26 3HG1 VAL 26 -15.376 3.432 -8.522 213 1HG2 VAL 26 1HG2 VAL 26 -13.564 2.638 -11.341 214 2HG2 VAL 26 2HG2 VAL 26 -13.873 4.297 -11.905 215 3HG2 VAL 26 3HG2 VAL 26 -13.402 4.006 -10.214 216 MG1 VAL 26 MG1 VAL 26 -15.620 2.567 -9.022 217 MG2 VAL 26 MG2 VAL 26 -13.613 3.647 -11.153 218 QG VAL 26 QG VAL 26 -14.616 3.107 -10.087 219 H GLU 27 H GLU 27 -14.269 1.572 -12.991 220 HA GLU 27 HA GLU 27 -13.434 3.342 -14.783 221 1HB GLU 27 1HB GLU 27 -12.430 1.107 -14.436 222 2HB GLU 27 2HB GLU 27 -13.787 0.347 -15.243 223 1HG GLU 27 1HG GLU 27 -13.098 2.096 -17.198 224 2HG GLU 27 2HG GLU 27 -11.534 1.959 -16.417 225 HE2 GLU 27 HE2 GLU 27 -14.086 -0.216 -17.560 226 QB GLU 27 QB GLU 27 -13.109 0.727 -14.840 227 QG GLU 27 QG GLU 27 -12.316 2.027 -16.808 228 H ALA 28 H ALA 28 -14.154 4.337 -16.644 229 HA ALA 28 HA ALA 28 -16.684 3.316 -17.744 230 1HB ALA 28 1HB ALA 28 -15.660 6.169 -17.455 231 2HB ALA 28 2HB ALA 28 -17.132 5.708 -18.342 232 3HB ALA 28 3HB ALA 28 -17.027 5.431 -16.587 233 MB ALA 28 MB ALA 28 -16.606 5.769 -17.461 234 H GLY 29 H GLY 29 -16.975 3.949 -20.122 235 1HA GLY 29 1HA GLY 29 -16.264 3.830 -22.249 236 2HA GLY 29 2HA GLY 29 -14.833 4.706 -21.742 237 QA GLY 29 QA GLY 29 -15.548 4.268 -21.996 238 H ASN 30 H ASN 30 -14.134 3.086 -23.638 239 HA ASN 30 HA ASN 30 -13.432 0.545 -22.418 240 1HB ASN 30 1HB ASN 30 -13.834 1.507 -25.254 241 2HB ASN 30 2HB ASN 30 -12.680 0.212 -25.005 242 2HD2 ASN 30 1HD2 ASN 30 -13.412 -1.769 -25.018 243 1HD2 ASN 30 2HD2 ASN 30 -15.039 -2.289 -24.734 244 QB ASN 30 QB ASN 30 -13.257 0.860 -25.130 245 QD ASN 30 QD ASN 30 -14.225 -2.029 -24.876 246 H THR 31 H THR 31 -12.024 2.909 -21.586 247 HA THR 31 HA THR 31 -9.567 2.977 -23.154 248 HB THR 31 HB THR 31 -10.518 5.125 -22.472 249 HG1 THR 31 HG1 THR 31 -8.587 5.793 -21.416 250 1HG2 THR 31 1HG2 THR 31 -11.086 3.675 -19.984 251 2HG2 THR 31 2HG2 THR 31 -10.151 5.155 -19.658 252 3HG2 THR 31 3HG2 THR 31 -11.705 5.255 -20.520 253 MG THR 31 MG THR 31 -10.980 4.695 -20.054 254 H GLY 32 H GLY 32 -10.926 1.301 -20.460 255 1HA GLY 32 1HA GLY 32 -9.981 -0.371 -19.250 256 2HA GLY 32 2HA GLY 32 -8.436 -0.065 -20.018 257 QA GLY 32 QA GLY 32 -9.208 -0.218 -19.634 258 H ARG 33 H ARG 33 -9.584 2.931 -18.977 259 HA ARG 33 HA ARG 33 -8.203 2.594 -16.435 260 1HB ARG 33 1HB ARG 33 -8.178 4.938 -18.393 261 2HB ARG 33 2HB ARG 33 -7.612 5.099 -16.742 262 1HG ARG 33 1HG ARG 33 -6.413 2.724 -17.888 263 2HG ARG 33 2HG ARG 33 -6.188 4.051 -19.011 264 1HD ARG 33 1HD ARG 33 -5.459 5.417 -16.862 265 2HD ARG 33 2HD ARG 33 -5.246 3.838 -16.134 266 HE ARG 33 HE ARG 33 -3.512 5.057 -18.094 267 1HH1 ARG 33 1HH1 ARG 33 -4.800 1.906 -17.113 268 2HH1 ARG 33 2HH1 ARG 33 -3.458 1.019 -17.754 269 2HH2 ARG 33 HH2 ARG 33 -1.671 2.204 -18.824 270 QB ARG 33 QB ARG 33 -7.895 5.018 -17.568 271 QG ARG 33 QG ARG 33 -6.300 3.387 -18.449 272 QD ARG 33 QD ARG 33 -5.353 4.627 -16.498 273 QH1 ARG 33 QH1 ARG 33 -4.129 1.462 -17.434 274 H VAL 34 H VAL 34 -8.896 4.261 -14.731 275 HA VAL 34 HA VAL 34 -11.769 4.439 -14.768 276 HB VAL 34 HB VAL 34 -9.662 5.168 -12.726 277 1HG1 VAL 34 1HG1 VAL 34 -12.603 5.600 -12.775 278 2HG1 VAL 34 2HG1 VAL 34 -11.923 4.939 -11.269 279 3HG1 VAL 34 3HG1 VAL 34 -11.323 6.487 -11.912 280 1HG2 VAL 34 1HG2 VAL 34 -9.810 2.768 -13.165 281 2HG2 VAL 34 2HG2 VAL 34 -10.461 3.150 -11.553 282 3HG2 VAL 34 3HG2 VAL 34 -11.570 2.812 -12.903 283 MG1 VAL 34 MG1 VAL 34 -11.950 5.675 -11.985 284 MG2 VAL 34 MG2 VAL 34 -10.614 2.910 -12.540 285 QG VAL 34 QG VAL 34 -11.282 4.292 -12.263 286 H LEU 35 H LEU 35 -12.879 6.139 -15.567 287 HA LEU 35 HA LEU 35 -11.580 8.406 -16.556 288 1HB LEU 35 1HB LEU 35 -14.233 7.295 -16.462 289 2HB LEU 35 2HB LEU 35 -14.298 9.013 -16.119 290 HG LEU 35 HG LEU 35 -12.910 7.833 -18.539 291 1HD1 LEU 35 1HD1 LEU 35 -15.749 8.296 -18.017 292 2HD1 LEU 35 2HD1 LEU 35 -15.154 9.152 -19.459 293 3HD1 LEU 35 3HD1 LEU 35 -14.950 7.389 -19.323 294 1HD2 LEU 35 1HD2 LEU 35 -12.782 10.396 -17.381 295 2HD2 LEU 35 2HD2 LEU 35 -12.175 9.880 -18.973 296 3HD2 LEU 35 3HD2 LEU 35 -13.816 10.553 -18.821 297 MD1 LEU 35 MD1 LEU 35 -15.284 8.279 -18.933 298 MD2 LEU 35 MD2 LEU 35 -12.924 10.276 -18.392 299 QB LEU 35 QB LEU 35 -14.266 8.154 -16.291 300 QD LEU 35 QD LEU 35 -14.104 9.278 -18.662 301 H ALA 36 H ALA 36 -12.281 7.468 -13.346 302 HA ALA 36 HA ALA 36 -11.737 8.561 -11.462 303 1HB ALA 36 3HB ALA 36 -10.550 10.497 -11.551 304 2HB ALA 36 1HB ALA 36 -10.584 10.231 -13.310 305 3HB ALA 36 2HB ALA 36 -11.772 11.317 -12.551 306 MB ALA 36 MB ALA 36 -10.968 10.681 -12.471 307 H LEU 37 H LEU 37 -13.850 10.599 -13.612 308 HA LEU 37 HA LEU 37 -15.467 11.678 -11.735 309 1HB LEU 37 1HB LEU 37 -15.962 10.737 -14.540 310 2HB LEU 37 2HB LEU 37 -17.267 11.425 -13.593 311 HG LEU 37 HG LEU 37 -15.818 12.911 -15.206 312 1HD1 LEU 37 1HD1 LEU 37 -16.704 13.746 -12.433 313 2HD1 LEU 37 2HD1 LEU 37 -16.252 14.878 -13.730 314 3HD1 LEU 37 3HD1 LEU 37 -17.649 13.796 -13.941 315 1HD2 LEU 37 1HD2 LEU 37 -14.097 12.762 -12.726 316 2HD2 LEU 37 2HD2 LEU 37 -13.633 12.460 -14.417 317 3HD2 LEU 37 3HD2 LEU 37 -14.025 14.112 -13.884 318 MD1 LEU 37 MD1 LEU 37 -16.868 14.140 -13.368 319 MD2 LEU 37 MD2 LEU 37 -13.918 13.111 -13.676 320 QB LEU 37 QB LEU 37 -16.614 11.081 -14.067 321 QD LEU 37 QD LEU 37 -15.393 13.626 -13.522 322 H ASP 38 H ASP 38 -15.731 8.380 -13.194 323 HA ASP 38 HA ASP 38 -18.059 7.723 -11.837 324 1HB ASP 38 1HB ASP 38 -15.939 6.332 -13.380 325 2HB ASP 38 2HB ASP 38 -16.695 5.311 -12.173 326 HD2 ASP 38 HD2 ASP 38 -18.709 4.667 -12.539 327 QB ASP 38 QB ASP 38 -16.317 5.822 -12.777 328 H ALA 39 H ALA 39 -14.557 7.539 -11.063 329 HA ALA 39 HA ALA 39 -14.574 5.809 -8.936 330 1HB ALA 39 3HB ALA 39 -12.471 6.750 -8.399 331 2HB ALA 39 2HB ALA 39 -12.937 8.359 -9.003 332 3HB ALA 39 1HB ALA 39 -12.640 7.029 -10.148 333 MB ALA 39 MB ALA 39 -12.683 7.379 -9.183 334 H ALA 40 H ALA 40 -15.103 9.403 -8.913 335 HA ALA 40 HA ALA 40 -15.569 9.564 -6.163 336 1HB ALA 40 3HB ALA 40 -15.239 11.664 -6.952 337 2HB ALA 40 2HB ALA 40 -16.991 11.649 -7.266 338 3HB ALA 40 1HB ALA 40 -15.850 11.253 -8.573 339 MB ALA 40 MB ALA 40 -16.027 11.522 -7.597 340 H ALA 41 H ALA 41 -17.522 8.417 -8.854 341 HA ALA 41 HA ALA 41 -20.044 8.816 -7.638 342 1HB ALA 41 2HB ALA 41 -19.423 6.645 -9.644 343 2HB ALA 41 1HB ALA 41 -19.357 8.358 -10.123 344 3HB ALA 41 3HB ALA 41 -20.874 7.666 -9.502 345 MB ALA 41 MB ALA 41 -19.885 7.557 -9.757 346 H PHE 42 H PHE 42 -17.943 5.873 -8.044 347 HA PHE 42 HA PHE 42 -19.561 4.273 -6.404 348 1HB PHE 42 1HB PHE 42 -17.788 3.615 -8.157 349 2HB PHE 42 2HB PHE 42 -16.551 4.147 -7.035 350 HD1 PHE 42 HD1 PHE 42 -16.060 2.856 -5.019 351 HD2 PHE 42 HD2 PHE 42 -18.986 1.540 -7.797 352 HE1 PHE 42 HE1 PHE 42 -16.022 0.572 -3.978 353 HE2 PHE 42 HE2 PHE 42 -18.947 -0.743 -6.756 354 HZ PHE 42 HZ PHE 42 -17.465 -1.200 -4.859 355 QB PHE 42 QB PHE 42 -17.169 3.881 -7.596 356 QD PHE 42 QD PHE 42 -17.523 2.198 -6.408 357 QE PHE 42 QE PHE 42 -17.484 -0.086 -5.367 358 QR PHE 42 QR PHE 42 -17.504 1.056 -5.888 359 H LEU 43 H LEU 43 -16.985 6.616 -5.742 360 HA LEU 43 HA LEU 43 -16.394 5.618 -3.145 361 1HB LEU 43 1HB LEU 43 -15.793 8.187 -4.600 362 2HB LEU 43 2HB LEU 43 -15.307 7.914 -2.939 363 HG LEU 43 HG LEU 43 -14.490 6.146 -5.260 364 1HD1 LEU 43 1HD1 LEU 43 -13.248 8.613 -4.103 365 2HD1 LEU 43 2HD1 LEU 43 -12.200 7.302 -4.697 366 3HD1 LEU 43 3HD1 LEU 43 -13.367 8.075 -5.796 367 1HD2 LEU 43 1HD2 LEU 43 -13.827 6.177 -2.327 368 2HD2 LEU 43 2HD2 LEU 43 -14.296 4.814 -3.372 369 3HD2 LEU 43 3HD2 LEU 43 -12.672 5.528 -3.516 370 MD1 LEU 43 MD1 LEU 43 -12.938 7.997 -4.865 371 MD2 LEU 43 MD2 LEU 43 -13.599 5.506 -3.072 372 QB LEU 43 QB LEU 43 -15.550 8.051 -3.770 373 QD LEU 43 QD LEU 43 -13.268 6.751 -3.969 374 H LYS 44 H LYS 44 -18.415 8.320 -4.462 375 HA LYS 44 HA LYS 44 -19.248 9.335 -2.037 376 1HB LYS 44 1HB LYS 44 -20.345 9.326 -4.827 377 2HB LYS 44 2HB LYS 44 -21.358 9.922 -3.527 378 1HG LYS 44 1HG LYS 44 -18.983 11.180 -2.922 379 2HG LYS 44 2HG LYS 44 -18.854 11.084 -4.667 380 1HD LYS 44 1HD LYS 44 -21.542 11.932 -3.751 381 2HD LYS 44 2HD LYS 44 -20.270 13.027 -3.247 382 1HE LYS 44 1HE LYS 44 -20.676 12.068 -6.121 383 2HE LYS 44 2HE LYS 44 -21.254 13.601 -5.501 384 QB LYS 44 QB LYS 44 -20.852 9.624 -4.177 385 QD LYS 44 QD LYS 44 -20.906 12.479 -3.499 386 QG LYS 44 QG LYS 44 -18.919 11.132 -3.795 387 QE LYS 44 QE LYS 44 -20.965 12.835 -5.811 388 QZ LYS 44 QZ LYS 44 -18.944 13.715 -6.152 389 H LYS 45 H LYS 45 -20.006 6.299 -3.609 390 HA LYS 45 HA LYS 45 -22.470 5.900 -2.224 391 1HB LYS 45 2HB LYS 45 -22.417 3.696 -3.209 392 2HB LYS 45 1HB LYS 45 -20.719 3.853 -3.610 393 1HG LYS 45 1HG LYS 45 -22.027 6.145 -4.725 394 2HG LYS 45 2HG LYS 45 -21.271 4.818 -5.583 395 1HD LYS 45 1HD LYS 45 -23.944 4.150 -4.470 396 2HD LYS 45 2HD LYS 45 -23.979 5.435 -5.660 397 1HE LYS 45 1HE LYS 45 -22.895 4.033 -7.332 398 2HE LYS 45 2HE LYS 45 -22.528 2.796 -6.146 399 QB LYS 45 QB LYS 45 -21.568 3.774 -3.410 400 QD LYS 45 QD LYS 45 -23.962 4.793 -5.065 401 QG LYS 45 QG LYS 45 -21.649 5.482 -5.154 402 QE LYS 45 QE LYS 45 -22.712 3.414 -6.739 403 QZ LYS 45 QZ LYS 45 -25.118 3.069 -6.508 404 H SER 46 H SER 46 -19.330 6.164 -1.144 405 HA SER 46 HA SER 46 -19.118 3.924 0.496 406 1HB SER 46 2HB SER 46 -17.244 5.481 -0.169 407 2HB SER 46 1HB SER 46 -17.277 5.090 1.539 408 HG SER 46 HG SER 46 -17.710 7.552 0.245 409 QB SER 46 QB SER 46 -17.260 5.285 0.685 410 H GLY 47 H GLY 47 -19.628 7.373 1.552 411 1HA GLY 47 1HA GLY 47 -21.985 7.203 2.866 412 2HA GLY 47 2HA GLY 47 -20.863 6.488 4.007 413 QA GLY 47 QA GLY 47 -21.424 6.845 3.437 414 H LEU 48 H LEU 48 -18.571 8.199 2.903 415 HA LEU 48 HA LEU 48 -18.904 10.337 4.720 416 1HB LEU 48 1HB LEU 48 -16.821 9.479 2.751 417 2HB LEU 48 2HB LEU 48 -16.731 11.082 3.453 418 HG LEU 48 HG LEU 48 -16.954 8.612 5.175 419 1HD1 LEU 48 1HD1 LEU 48 -14.927 8.792 3.446 420 2HD1 LEU 48 2HD1 LEU 48 -14.280 9.842 4.730 421 3HD1 LEU 48 3HD1 LEU 48 -14.730 8.160 5.099 422 1HD2 LEU 48 1HD2 LEU 48 -17.179 11.251 5.825 423 2HD2 LEU 48 2HD2 LEU 48 -16.650 9.966 6.937 424 3HD2 LEU 48 3HD2 LEU 48 -15.443 10.967 6.095 425 MD1 LEU 48 MD1 LEU 48 -14.646 8.931 4.425 426 MD2 LEU 48 MD2 LEU 48 -16.424 10.728 6.286 427 QB LEU 48 QB LEU 48 -16.776 10.280 3.102 428 QD LEU 48 QD LEU 48 -15.535 9.830 5.355 429 HA PRO 49 HA PRO 49 -20.545 13.399 2.162 430 1HB PRO 49 1HB PRO 49 -19.358 15.692 3.056 431 2HB PRO 49 2HB PRO 49 -20.689 14.914 3.889 432 1HG PRO 49 1HG PRO 49 -17.821 14.946 4.603 433 2HG PRO 49 2HG PRO 49 -19.199 14.555 5.612 434 1HD PRO 49 1HD PRO 49 -17.355 12.701 4.431 435 2HD PRO 49 2HD PRO 49 -18.799 12.307 5.344 436 QB PRO 49 QB PRO 49 -20.024 15.303 3.473 437 QG PRO 49 QG PRO 49 -18.510 14.750 5.108 438 QD PRO 49 QD PRO 49 -18.077 12.504 4.888 439 H ASP 50 H ASP 50 -19.782 15.687 0.968 440 HA ASP 50 HA ASP 50 -17.980 14.559 -0.972 441 1HB ASP 50 2HB ASP 50 -20.113 15.696 -1.659 442 2HB ASP 50 1HB ASP 50 -18.691 16.395 -2.406 443 HD2 ASP 50 HD2 ASP 50 -17.979 18.533 -1.212 444 QB ASP 50 QB ASP 50 -19.402 16.045 -2.032 445 H LEU 51 H LEU 51 -18.302 17.218 1.422 446 HA LEU 51 HA LEU 51 -16.108 18.742 0.635 447 1HB LEU 51 2HB LEU 51 -18.093 18.879 2.534 448 2HB LEU 51 1HB LEU 51 -16.804 20.038 2.275 449 HG LEU 51 HG LEU 51 -15.560 18.226 3.909 450 1HD1 LEU 51 1HD1 LEU 51 -15.995 20.853 3.947 451 2HD1 LEU 51 2HD1 LEU 51 -17.122 20.384 5.243 452 3HD1 LEU 51 3HD1 LEU 51 -15.397 19.963 5.368 453 1HD2 LEU 51 1HD2 LEU 51 -17.746 17.007 4.146 454 2HD2 LEU 51 2HD2 LEU 51 -17.006 17.544 5.673 455 3HD2 LEU 51 3HD2 LEU 51 -18.379 18.444 4.984 456 MD1 LEU 51 MD1 LEU 51 -16.171 20.400 4.853 457 MD2 LEU 51 MD2 LEU 51 -17.710 17.665 4.934 458 QB LEU 51 QB LEU 51 -17.449 19.458 2.404 459 QD LEU 51 QD LEU 51 -16.941 19.033 4.893 460 H ILE 52 H ILE 52 -16.383 16.115 3.127 461 HA ILE 52 HA ILE 52 -13.664 16.140 3.775 462 HB ILE 52 HB ILE 52 -15.881 14.135 4.082 463 1HG1 ILE 52 1HG1 ILE 52 -14.674 16.297 5.703 464 2HG1 ILE 52 2HG1 ILE 52 -16.316 15.687 5.673 465 1HG2 ILE 52 1HG2 ILE 52 -13.727 12.925 3.782 466 2HG2 ILE 52 2HG2 ILE 52 -13.074 13.820 5.175 467 3HG2 ILE 52 3HG2 ILE 52 -14.453 12.717 5.394 468 1HD1 ILE 52 1HD1 ILE 52 -15.580 13.651 6.929 469 2HD1 ILE 52 2HD1 ILE 52 -13.929 14.311 6.989 470 3HD1 ILE 52 3HD1 ILE 52 -15.254 15.151 7.830 471 MG ILE 52 MG ILE 52 -13.752 13.154 4.783 472 MD ILE 52 MD ILE 52 -14.921 14.371 7.249 473 QG ILE 52 QG ILE 52 -15.495 15.992 5.688 474 H LEU 53 H LEU 53 -15.547 14.535 1.196 475 HA LEU 53 HA LEU 53 -13.525 12.749 0.417 476 1HB LEU 53 1HB LEU 53 -16.096 13.747 -0.639 477 2HB LEU 53 2HB LEU 53 -14.967 13.161 -1.844 478 HG LEU 53 HG LEU 53 -15.918 11.574 0.558 479 1HD1 LEU 53 1HD1 LEU 53 -17.580 12.182 -1.363 480 2HD1 LEU 53 2HD1 LEU 53 -16.677 10.952 -2.278 481 3HD1 LEU 53 3HD1 LEU 53 -17.488 10.512 -0.756 482 1HD2 LEU 53 1HD2 LEU 53 -13.621 11.217 -0.972 483 2HD2 LEU 53 2HD2 LEU 53 -14.404 10.016 0.082 484 3HD2 LEU 53 3HD2 LEU 53 -14.791 10.062 -1.654 485 MD1 LEU 53 MD1 LEU 53 -17.248 11.215 -1.465 486 MD2 LEU 53 MD2 LEU 53 -14.272 10.432 -0.848 487 QB LEU 53 QB LEU 53 -15.531 13.454 -1.241 488 QD LEU 53 QD LEU 53 -15.760 10.824 -1.157 489 H GLY 54 H GLY 54 -14.487 16.024 -0.817 490 1HA GLY 54 1HA GLY 54 -12.829 16.430 -2.869 491 2HA GLY 54 2HA GLY 54 -13.146 17.655 -1.657 492 QA GLY 54 QA GLY 54 -12.988 17.043 -2.263 493 H LYS 55 H LYS 55 -11.846 16.747 0.620 494 HA LYS 55 HA LYS 55 -9.206 17.441 0.090 495 1HB LYS 55 1HB LYS 55 -10.717 16.365 2.439 496 2HB LYS 55 2HB LYS 55 -8.966 16.342 2.500 497 1HG LYS 55 1HG LYS 55 -9.927 18.907 1.456 498 2HG LYS 55 2HG LYS 55 -10.664 18.558 3.008 499 1HD LYS 55 1HD LYS 55 -8.743 19.312 3.959 500 2HD LYS 55 2HD LYS 55 -7.994 17.823 3.417 501 1HE LYS 55 1HE LYS 55 -6.627 19.035 2.074 502 2HE LYS 55 2HE LYS 55 -8.023 19.524 1.133 503 QB LYS 55 QB LYS 55 -9.841 16.354 2.470 504 QD LYS 55 QD LYS 55 -8.369 18.567 3.688 505 QG LYS 55 QG LYS 55 -10.296 18.732 2.232 506 QE LYS 55 QE LYS 55 -7.325 19.279 1.603 507 QZ LYS 55 QZ LYS 55 -6.939 21.220 2.718 508 H ILE 56 H ILE 56 -10.782 14.227 0.582 509 HA ILE 56 HA ILE 56 -8.466 12.710 0.527 510 HB ILE 56 HB ILE 56 -11.313 12.122 -0.264 511 1HG1 ILE 56 1HG1 ILE 56 -9.667 11.805 2.232 512 2HG1 ILE 56 2HG1 ILE 56 -11.256 12.517 2.032 513 1HG2 ILE 56 1HG2 ILE 56 -9.601 10.654 -1.446 514 2HG2 ILE 56 2HG2 ILE 56 -9.181 10.027 0.166 515 3HG2 ILE 56 3HG2 ILE 56 -10.833 9.826 -0.465 516 1HD1 ILE 56 1HD1 ILE 56 -10.627 9.549 1.676 517 2HD1 ILE 56 2HD1 ILE 56 -11.365 10.275 3.124 518 3HD1 ILE 56 3HD1 ILE 56 -12.239 10.297 1.574 519 MG ILE 56 MG ILE 56 -9.872 10.169 -0.581 520 MD ILE 56 MD ILE 56 -11.410 10.041 2.125 521 QG ILE 56 QG ILE 56 -10.462 12.161 2.132 522 H TRP 57 H TRP 57 -10.682 13.645 -2.193 523 HA TRP 57 HA TRP 57 -9.263 12.397 -4.206 524 1HB TRP 57 1HB TRP 57 -11.538 13.368 -4.375 525 2HB TRP 57 2HB TRP 57 -10.836 14.974 -4.373 526 HD1 TRP 57 HD1 TRP 57 -9.072 15.441 -6.583 527 HE1 TRP 57 HE1 TRP 57 -9.270 14.723 -9.115 528 HE3 TRP 57 HE3 TRP 57 -12.385 11.665 -5.798 529 HZ2 TRP 57 HZ2 TRP 57 -10.757 12.702 -10.474 530 HZ3 TRP 57 HZ3 TRP 57 -13.160 10.369 -7.781 531 HH2 TRP 57 HH2 TRP 57 -12.400 10.835 -10.057 532 QB TRP 57 QB TRP 57 -11.187 14.171 -4.374 533 H ASP 58 H ASP 58 -9.097 15.858 -3.077 534 HA ASP 58 HA ASP 58 -7.163 16.760 -4.664 535 1HB ASP 58 1HB ASP 58 -8.418 17.808 -2.574 536 2HB ASP 58 2HB ASP 58 -6.989 17.313 -1.688 537 HD2 ASP 58 HD2 ASP 58 -6.944 20.749 -3.178 538 QB ASP 58 QB ASP 58 -7.704 17.560 -2.131 539 H LEU 59 H LEU 59 -6.811 14.792 -1.645 540 HA LEU 59 HA LEU 59 -3.961 14.832 -1.728 541 1HB LEU 59 1HB LEU 59 -5.075 14.667 0.372 542 2HB LEU 59 2HB LEU 59 -5.991 13.265 -0.142 543 HG LEU 59 HG LEU 59 -4.010 12.913 1.449 544 1HD1 LEU 59 1HD1 LEU 59 -5.244 11.273 -0.351 545 2HD1 LEU 59 2HD1 LEU 59 -3.535 11.086 -0.810 546 3HD1 LEU 59 3HD1 LEU 59 -4.049 10.750 0.860 547 1HD2 LEU 59 1HD2 LEU 59 -2.559 13.595 -1.097 548 2HD2 LEU 59 2HD2 LEU 59 -2.251 14.148 0.567 549 3HD2 LEU 59 3HD2 LEU 59 -1.848 12.480 0.094 550 MD1 LEU 59 MD1 LEU 59 -4.276 11.036 -0.100 551 MD2 LEU 59 MD2 LEU 59 -2.219 13.408 -0.145 552 QB LEU 59 QB LEU 59 -5.533 13.966 0.115 553 QD LEU 59 QD LEU 59 -3.248 12.222 -0.123 554 H ALA 60 H ALA 60 -6.570 12.822 -3.057 555 HA ALA 60 HA ALA 60 -4.894 10.607 -3.659 556 1HB ALA 60 2HB ALA 60 -7.198 10.785 -5.378 557 2HB ALA 60 1HB ALA 60 -7.663 11.291 -3.736 558 3HB ALA 60 3HB ALA 60 -6.918 9.696 -3.998 559 MB ALA 60 MB ALA 60 -7.260 10.591 -4.371 560 H ASP 61 H ASP 61 -6.585 12.935 -5.887 561 HA ASP 61 HA ASP 61 -5.418 12.376 -8.156 562 1HB ASP 61 1HB ASP 61 -6.980 14.229 -7.955 563 2HB ASP 61 2HB ASP 61 -5.873 15.133 -6.940 564 HD2 ASP 61 HD2 ASP 61 -4.989 16.922 -9.608 565 QB ASP 61 QB ASP 61 -6.427 14.681 -7.447 566 H THR 62 H THR 62 -3.315 12.340 -9.007 567 HA THR 62 HA THR 62 -1.311 14.144 -7.984 568 HB THR 62 HB THR 62 -1.485 11.241 -7.215 569 HG1 THR 62 HG1 THR 62 -1.661 13.094 -5.738 570 1HG2 THR 62 1HG2 THR 62 0.594 11.418 -8.710 571 2HG2 THR 62 2HG2 THR 62 1.184 12.685 -7.607 572 3HG2 THR 62 3HG2 THR 62 0.938 11.027 -7.008 573 MG THR 62 MG THR 62 0.905 11.710 -7.775 574 H ASP 63 H ASP 63 -2.117 11.284 -10.027 575 HA ASP 63 HA ASP 63 0.021 11.463 -11.707 576 1HB ASP 63 1HB ASP 63 -2.016 9.780 -11.561 577 2HB ASP 63 2HB ASP 63 -2.768 10.844 -12.732 578 HD2 ASP 63 HD2 ASP 63 -1.518 8.435 -14.758 579 QB ASP 63 QB ASP 63 -2.392 10.312 -12.147 580 H GLY 64 H GLY 64 -3.243 13.050 -11.850 581 1HA GLY 64 1HA GLY 64 -3.252 15.389 -12.544 582 2HA GLY 64 2HA GLY 64 -2.148 14.954 -13.833 583 QA GLY 64 QA GLY 64 -2.700 15.172 -13.189 584 H LYS 65 H LYS 65 -4.373 16.235 -14.663 585 HA LYS 65 HA LYS 65 -5.978 16.072 -16.179 586 1HB LYS 65 1HB LYS 65 -4.526 14.198 -17.090 587 2HB LYS 65 2HB LYS 65 -5.573 13.073 -16.249 588 1HG LYS 65 1HG LYS 65 -7.550 13.988 -17.477 589 2HG LYS 65 2HG LYS 65 -6.510 15.126 -18.311 590 1HD LYS 65 1HD LYS 65 -5.154 12.982 -19.045 591 2HD LYS 65 2HD LYS 65 -6.600 12.104 -18.587 592 1HE LYS 65 1HE LYS 65 -7.917 13.728 -20.103 593 2HE LYS 65 2HE LYS 65 -6.368 14.298 -20.694 594 QB LYS 65 QB LYS 65 -5.049 13.635 -16.670 595 QD LYS 65 QD LYS 65 -5.877 12.543 -18.816 596 QG LYS 65 QG LYS 65 -7.030 14.557 -17.894 597 QE LYS 65 QE LYS 65 -7.142 14.013 -20.398 598 QZ LYS 65 QZ LYS 65 -7.009 12.254 -21.764 599 H GLY 66 H GLY 66 -6.469 12.912 -14.468 600 1HA GLY 66 1HA GLY 66 -8.245 13.668 -12.540 601 2HA GLY 66 2HA GLY 66 -9.226 13.549 -13.987 602 QA GLY 66 QA GLY 66 -8.736 13.609 -13.263 603 H VAL 67 H VAL 67 -8.083 11.425 -15.397 604 HA VAL 67 HA VAL 67 -9.262 9.231 -14.422 605 HB VAL 67 HB VAL 67 -6.616 9.286 -15.885 606 1HG1 VAL 67 1HG1 VAL 67 -7.830 7.088 -14.898 607 2HG1 VAL 67 2HG1 VAL 67 -8.682 7.225 -16.455 608 3HG1 VAL 67 3HG1 VAL 67 -6.907 7.097 -16.421 609 1HG2 VAL 67 1HG2 VAL 67 -9.375 10.005 -16.714 610 2HG2 VAL 67 2HG2 VAL 67 -7.804 10.545 -17.352 611 3HG2 VAL 67 3HG2 VAL 67 -8.465 8.964 -17.835 612 MG1 VAL 67 MG1 VAL 67 -7.806 7.137 -15.925 613 MG2 VAL 67 MG2 VAL 67 -8.548 9.838 -17.300 614 QG VAL 67 QG VAL 67 -8.177 8.487 -16.613 615 H LEU 68 H LEU 68 -8.740 7.434 -13.098 616 HA LEU 68 HA LEU 68 -6.643 8.056 -11.153 617 1HB LEU 68 1HB LEU 68 -8.995 6.170 -10.949 618 2HB LEU 68 2HB LEU 68 -7.838 6.520 -9.680 619 HG LEU 68 HG LEU 68 -9.840 8.444 -10.891 620 1HD1 LEU 68 1HD1 LEU 68 -10.687 6.708 -9.284 621 2HD1 LEU 68 2HD1 LEU 68 -9.641 7.441 -8.043 622 3HD1 LEU 68 3HD1 LEU 68 -10.948 8.396 -8.783 623 1HD2 LEU 68 1HD2 LEU 68 -7.369 8.947 -9.387 624 2HD2 LEU 68 2HD2 LEU 68 -8.362 10.043 -10.377 625 3HD2 LEU 68 3HD2 LEU 68 -8.816 9.712 -8.687 626 MD1 LEU 68 MD1 LEU 68 -10.426 7.515 -8.703 627 MD2 LEU 68 MD2 LEU 68 -8.182 9.567 -9.484 628 QB LEU 68 QB LEU 68 -8.417 6.345 -10.314 629 QD LEU 68 QD LEU 68 -9.304 8.541 -9.094 630 H SER 69 H SER 69 -6.193 5.506 -10.101 631 HA SER 69 HA SER 69 -5.485 3.851 -12.347 632 1HB SER 69 2HB SER 69 -3.127 3.717 -11.787 633 2HB SER 69 1HB SER 69 -3.350 4.681 -10.341 634 HG SER 69 HG SER 69 -2.553 5.662 -12.566 635 QB SER 69 QB SER 69 -3.238 4.199 -11.064 636 H LYS 70 H LYS 70 -3.719 2.108 -10.832 637 HA LYS 70 HA LYS 70 -5.654 0.594 -9.463 638 1HB LYS 70 1HB LYS 70 -2.635 0.361 -9.615 639 2HB LYS 70 2HB LYS 70 -3.677 -0.832 -8.867 640 1HG LYS 70 1HG LYS 70 -4.674 -1.456 -10.915 641 2HG LYS 70 2HG LYS 70 -4.298 0.072 -11.686 642 1HD LYS 70 1HD LYS 70 -1.946 -0.499 -11.883 643 2HD LYS 70 2HD LYS 70 -2.125 -1.887 -10.829 644 1HE LYS 70 1HE LYS 70 -3.023 -3.216 -12.492 645 2HE LYS 70 2HE LYS 70 -3.915 -1.895 -13.219 646 QB LYS 70 QB LYS 70 -3.156 -0.235 -9.241 647 QD LYS 70 QD LYS 70 -2.035 -1.193 -11.356 648 QG LYS 70 QG LYS 70 -4.486 -0.692 -11.301 649 QE LYS 70 QE LYS 70 -3.469 -2.555 -12.856 650 QZ LYS 70 QZ LYS 70 -1.957 -1.978 -14.433 651 H GLN 71 H GLN 71 -2.537 1.262 -7.861 652 HA GLN 71 HA GLN 71 -3.471 1.268 -5.367 653 1HB GLN 71 1HB GLN 71 -1.053 1.975 -6.656 654 2HB GLN 71 2HB GLN 71 -1.428 3.346 -5.631 655 1HG GLN 71 1HG GLN 71 -1.937 0.830 -4.215 656 2HG GLN 71 2HG GLN 71 -0.296 0.872 -4.827 657 2HE2 GLN 71 1HE2 GLN 71 -0.587 0.833 -2.200 658 1HE2 GLN 71 2HE2 GLN 71 -0.234 2.360 -1.461 659 QB GLN 71 QB GLN 71 -1.241 2.660 -6.143 660 QG GLN 71 QG GLN 71 -1.116 0.851 -4.521 661 QE GLN 71 QE GLN 71 -0.410 1.597 -1.830 662 H GLU 72 H GLU 72 -3.189 4.184 -7.509 663 HA GLU 72 HA GLU 72 -3.886 6.137 -5.872 664 1HB GLU 72 1HB GLU 72 -4.467 5.557 -8.746 665 2HB GLU 72 2HB GLU 72 -5.411 6.848 -8.029 666 1HG GLU 72 1HG GLU 72 -2.946 7.526 -7.069 667 2HG GLU 72 2HG GLU 72 -2.459 6.709 -8.541 668 HE2 GLU 72 HE2 GLU 72 -4.588 10.100 -8.712 669 QB GLU 72 QB GLU 72 -4.939 6.203 -8.387 670 QG GLU 72 QG GLU 72 -2.702 7.117 -7.805 671 H PHE 73 H PHE 73 -6.432 4.377 -7.796 672 HA PHE 73 HA PHE 73 -8.546 5.383 -6.292 673 1HB PHE 73 1HB PHE 73 -8.836 4.407 -8.526 674 2HB PHE 73 2HB PHE 73 -8.048 2.917 -8.046 675 HD1 PHE 73 HD1 PHE 73 -9.245 1.258 -6.692 676 HD2 PHE 73 HD2 PHE 73 -11.164 4.802 -8.022 677 HE1 PHE 73 HE1 PHE 73 -11.481 0.243 -6.172 678 HE2 PHE 73 HE2 PHE 73 -13.400 3.787 -7.502 679 HZ PHE 73 HZ PHE 73 -13.532 1.519 -6.583 680 QB PHE 73 QB PHE 73 -8.442 3.662 -8.286 681 QD PHE 73 QD PHE 73 -10.205 3.030 -7.357 682 QE PHE 73 QE PHE 73 -12.441 2.015 -6.837 683 QR PHE 73 QR PHE 73 -11.323 2.522 -7.097 684 H PHE 74 H PHE 74 -6.476 2.484 -5.901 685 HA PHE 74 HA PHE 74 -8.133 1.256 -3.971 686 1HB PHE 74 1HB PHE 74 -5.448 1.005 -5.248 687 2HB PHE 74 2HB PHE 74 -5.438 0.462 -3.582 688 HD1 PHE 74 HD1 PHE 74 -7.344 0.022 -6.755 689 HD2 PHE 74 HD2 PHE 74 -6.092 -1.709 -3.088 690 HE1 PHE 74 HE1 PHE 74 -8.304 -2.184 -7.469 691 HE2 PHE 74 HE2 PHE 74 -7.052 -3.916 -3.802 692 HZ PHE 74 HZ PHE 74 -8.147 -4.127 -5.984 693 QB PHE 74 QB PHE 74 -5.443 0.733 -4.415 694 QD PHE 74 QD PHE 74 -6.718 -0.844 -4.922 695 QE PHE 74 QE PHE 74 -7.678 -3.050 -5.636 696 QR PHE 74 QR PHE 74 -7.198 -1.947 -5.279 697 H VAL 75 H VAL 75 -6.269 4.104 -3.859 698 HA VAL 75 HA VAL 75 -5.557 3.754 -1.057 699 HB VAL 75 HB VAL 75 -4.794 5.572 -3.286 700 1HG1 VAL 75 1HG1 VAL 75 -4.755 6.377 -0.364 701 2HG1 VAL 75 2HG1 VAL 75 -3.720 7.128 -1.601 702 3HG1 VAL 75 3HG1 VAL 75 -5.491 7.243 -1.734 703 1HG2 VAL 75 1HG2 VAL 75 -3.567 3.585 -1.587 704 2HG2 VAL 75 2HG2 VAL 75 -2.933 4.363 -3.057 705 3HG2 VAL 75 3HG2 VAL 75 -2.680 5.123 -1.467 706 MG1 VAL 75 MG1 VAL 75 -4.655 6.916 -1.233 707 MG2 VAL 75 MG2 VAL 75 -3.060 4.357 -2.037 708 QG VAL 75 QG VAL 75 -3.858 5.636 -1.635 709 H ALA 76 H ALA 76 -7.339 6.120 -3.168 710 HA ALA 76 HA ALA 76 -8.442 7.599 -1.120 711 1HB ALA 76 3HB ALA 76 -9.688 8.589 -2.801 712 2HB ALA 76 1HB ALA 76 -8.420 7.806 -3.774 713 3HB ALA 76 2HB ALA 76 -10.020 7.042 -3.616 714 MB ALA 76 MB ALA 76 -9.376 7.812 -3.397 715 H LEU 77 H LEU 77 -9.196 4.353 -2.282 716 HA LEU 77 HA LEU 77 -11.829 4.203 -1.340 717 1HB LEU 77 1HB LEU 77 -9.883 2.510 -2.561 718 2HB LEU 77 2HB LEU 77 -10.546 1.669 -1.173 719 HG LEU 77 HG LEU 77 -12.339 2.958 -3.230 720 1HD1 LEU 77 1HD1 LEU 77 -10.728 1.396 -4.344 721 2HD1 LEU 77 2HD1 LEU 77 -11.380 0.089 -3.327 722 3HD1 LEU 77 3HD1 LEU 77 -12.439 0.929 -4.485 723 1HD2 LEU 77 1HD2 LEU 77 -12.728 1.450 -0.799 724 2HD2 LEU 77 2HD2 LEU 77 -13.918 2.289 -1.822 725 3HD2 LEU 77 3HD2 LEU 77 -13.462 0.607 -2.184 726 MD1 LEU 77 MD1 LEU 77 -11.516 0.805 -4.052 727 MD2 LEU 77 MD2 LEU 77 -13.369 1.449 -1.602 728 QB LEU 77 QB LEU 77 -10.215 2.090 -1.867 729 QD LEU 77 QD LEU 77 -12.442 1.127 -2.827 730 H ARG 78 H ARG 78 -8.967 2.529 0.133 731 HA ARG 78 HA ARG 78 -10.135 2.061 2.515 732 1HB ARG 78 1HB ARG 78 -7.204 2.678 1.895 733 2HB ARG 78 2HB ARG 78 -7.738 2.022 3.430 734 1HG ARG 78 2HG ARG 78 -7.004 0.178 2.000 735 2HG ARG 78 1HG ARG 78 -8.030 0.718 0.686 736 1HD ARG 78 2HD ARG 78 -9.381 0.165 3.318 737 2HD ARG 78 1HD ARG 78 -8.789 -1.223 2.427 738 HE ARG 78 HE ARG 78 -11.123 0.280 1.783 739 1HH1 ARG 78 1HH1 ARG 78 -8.315 -1.118 0.136 740 2HH1 ARG 78 2HH1 ARG 78 -9.146 -1.328 -1.369 741 2HH2 ARG 78 HH2 ARG 78 -11.442 -0.662 -1.545 742 QB ARG 78 QB ARG 78 -7.471 2.350 2.662 743 QG ARG 78 QG ARG 78 -7.517 0.448 1.343 744 QD ARG 78 QD ARG 78 -9.085 -0.529 2.873 745 QH1 ARG 78 QH1 ARG 78 -8.731 -1.223 -0.617 746 H LEU 79 H LEU 79 -8.380 5.005 1.399 747 HA LEU 79 HA LEU 79 -8.032 6.361 3.713 748 1HB LEU 79 1HB LEU 79 -7.672 6.913 1.136 749 2HB LEU 79 2HB LEU 79 -9.131 7.851 1.380 750 HG LEU 79 HG LEU 79 -6.495 8.167 2.834 751 1HD1 LEU 79 1HD1 LEU 79 -7.224 9.134 0.388 752 2HD1 LEU 79 2HD1 LEU 79 -7.718 10.466 1.460 753 3HD1 LEU 79 3HD1 LEU 79 -6.034 9.889 1.475 754 1HD2 LEU 79 1HD2 LEU 79 -8.392 8.480 4.384 755 2HD2 LEU 79 2HD2 LEU 79 -7.485 9.983 4.091 756 3HD2 LEU 79 3HD2 LEU 79 -9.055 9.721 3.294 757 MD1 LEU 79 MD1 LEU 79 -6.992 9.830 1.108 758 MD2 LEU 79 MD2 LEU 79 -8.311 9.395 3.923 759 QB LEU 79 QB LEU 79 -8.401 7.382 1.258 760 QD LEU 79 QD LEU 79 -7.651 9.612 2.515 761 H VAL 80 H VAL 80 -11.087 5.915 1.865 762 HA VAL 80 HA VAL 80 -12.630 7.692 3.354 763 HB VAL 80 HB VAL 80 -13.327 5.164 1.851 764 1HG1 VAL 80 1HG1 VAL 80 -14.972 6.794 3.576 765 2HG1 VAL 80 2HG1 VAL 80 -15.539 6.921 1.893 766 3HG1 VAL 80 3HG1 VAL 80 -15.397 5.323 2.666 767 1HG2 VAL 80 1HG2 VAL 80 -12.391 7.623 0.927 768 2HG2 VAL 80 2HG2 VAL 80 -13.225 6.374 -0.029 769 3HG2 VAL 80 3HG2 VAL 80 -14.153 7.710 0.692 770 MG1 VAL 80 MG1 VAL 80 -15.303 6.346 2.712 771 MG2 VAL 80 MG2 VAL 80 -13.256 7.236 0.530 772 QG VAL 80 QG VAL 80 -14.280 6.791 1.621 773 H ALA 81 H ALA 81 -11.769 4.229 3.849 774 HA ALA 81 HA ALA 81 -13.494 3.791 6.003 775 1HB ALA 81 1HB ALA 81 -11.691 2.330 4.477 776 2HB ALA 81 3HB ALA 81 -12.590 1.723 5.888 777 3HB ALA 81 2HB ALA 81 -10.934 2.345 6.089 778 MB ALA 81 MB ALA 81 -11.738 2.133 5.485 779 H CYS 82 H CYS 82 -10.616 5.718 5.673 780 HA CYS 82 HA CYS 82 -9.710 5.500 8.330 781 1HB CYS 82 1HB CYS 82 -8.704 6.594 6.028 782 2HB CYS 82 2HB CYS 82 -9.166 8.037 6.909 783 HG CYS 82 HG CYS 82 -7.913 7.195 8.990 784 QB CYS 82 QB CYS 82 -8.935 7.316 6.468 785 H ALA 83 H ALA 83 -11.165 8.396 6.669 786 HA ALA 83 HA ALA 83 -11.907 9.698 8.978 787 1HB ALA 83 2HB ALA 83 -13.776 10.494 7.105 788 2HB ALA 83 1HB ALA 83 -12.470 9.842 6.085 789 3HB ALA 83 3HB ALA 83 -12.125 11.144 7.249 790 MB ALA 83 MB ALA 83 -12.791 10.493 6.813 791 H GLN 84 H GLN 84 -13.317 6.900 7.387 792 HA GLN 84 HA GLN 84 -15.918 7.129 8.207 793 1HB GLN 84 1HB GLN 84 -14.093 4.795 7.617 794 2HB GLN 84 2HB GLN 84 -15.693 4.477 8.258 795 1HG GLN 84 1HG GLN 84 -15.784 6.472 6.100 796 2HG GLN 84 2HG GLN 84 -15.031 4.985 5.561 797 2HE2 GLN 84 1HE2 GLN 84 -17.244 5.507 4.337 798 1HE2 GLN 84 2HE2 GLN 84 -18.594 4.568 4.880 799 QB GLN 84 QB GLN 84 -14.893 4.636 7.938 800 QG GLN 84 QG GLN 84 -15.408 5.729 5.830 801 QE GLN 84 QE GLN 84 -17.919 5.037 4.609 802 H ASN 85 H ASN 85 -13.037 6.719 10.096 803 HA ASN 85 HA ASN 85 -14.677 5.863 12.349 804 1HB ASN 85 1HB ASN 85 -12.544 4.506 11.507 805 2HB ASN 85 2HB ASN 85 -11.638 5.763 12.324 806 2HD2 ASN 85 1HD2 ASN 85 -14.250 3.412 12.750 807 1HD2 ASN 85 2HD2 ASN 85 -13.995 3.087 14.432 808 QB ASN 85 QB ASN 85 -12.091 5.135 11.916 809 QD ASN 85 QD ASN 85 -14.123 3.249 13.591 810 H GLY 86 H GLY 86 -14.084 8.630 11.061 811 1HA GLY 86 1HA GLY 86 -13.916 10.727 11.892 812 2HA GLY 86 2HA GLY 86 -13.691 10.068 13.501 813 QA GLY 86 QA GLY 86 -13.804 10.398 12.696 814 H LEU 87 H LEU 87 -11.549 8.638 11.192 815 HA LEU 87 HA LEU 87 -9.316 9.918 12.448 816 1HB LEU 87 1HB LEU 87 -9.597 7.820 10.301 817 2HB LEU 87 2HB LEU 87 -8.045 8.447 10.819 818 HG LEU 87 HG LEU 87 -10.041 7.081 12.646 819 1HD1 LEU 87 1HD1 LEU 87 -8.087 5.993 10.775 820 2HD1 LEU 87 2HD1 LEU 87 -7.806 5.455 12.448 821 3HD1 LEU 87 3HD1 LEU 87 -9.389 5.183 11.681 822 1HD2 LEU 87 1HD2 LEU 87 -7.187 7.994 13.090 823 2HD2 LEU 87 2HD2 LEU 87 -8.657 8.596 13.892 824 3HD2 LEU 87 3HD2 LEU 87 -8.095 6.935 14.196 825 MD1 LEU 87 MD1 LEU 87 -8.427 5.544 11.635 826 MD2 LEU 87 MD2 LEU 87 -7.980 7.842 13.726 827 QB LEU 87 QB LEU 87 -8.821 8.133 10.560 828 QD LEU 87 QD LEU 87 -8.204 6.693 12.680 829 H GLU 88 H GLU 88 -7.446 10.685 10.901 830 HA GLU 88 HA GLU 88 -8.261 13.019 9.773 831 1HB GLU 88 1HB GLU 88 -5.848 11.843 10.314 832 2HB GLU 88 2HB GLU 88 -5.839 11.758 8.564 833 1HG GLU 88 1HG GLU 88 -4.817 13.879 9.421 834 2HG GLU 88 2HG GLU 88 -6.192 14.176 8.376 835 HE2 GLU 88 HE2 GLU 88 -8.175 15.546 10.625 836 QB GLU 88 QB GLU 88 -5.844 11.800 9.439 837 QG GLU 88 QG GLU 88 -5.505 14.027 8.898 838 H VAL 89 H VAL 89 -7.805 13.649 7.335 839 HA VAL 89 HA VAL 89 -9.146 11.613 5.695 840 HB VAL 89 HB VAL 89 -9.114 14.616 5.347 841 1HG1 VAL 89 1HG1 VAL 89 -10.679 12.401 3.985 842 2HG1 VAL 89 2HG1 VAL 89 -11.052 14.134 3.825 843 3HG1 VAL 89 3HG1 VAL 89 -9.490 13.503 3.249 844 1HG2 VAL 89 1HG2 VAL 89 -10.312 13.548 7.437 845 2HG2 VAL 89 2HG2 VAL 89 -11.120 14.808 6.473 846 3HG2 VAL 89 3HG2 VAL 89 -11.545 13.096 6.236 847 MG1 VAL 89 MG1 VAL 89 -10.407 13.346 3.687 848 MG2 VAL 89 MG2 VAL 89 -10.992 13.817 6.715 849 QG VAL 89 QG VAL 89 -10.700 13.582 5.201 850 H SER 90 H SER 90 -6.221 13.332 6.306 851 HA SER 90 HA SER 90 -5.373 13.077 3.556 852 1HB SER 90 1HB SER 90 -4.137 14.359 6.022 853 2HB SER 90 2HB SER 90 -3.234 14.167 4.533 854 HG SER 90 HG SER 90 -4.183 15.943 3.834 855 QB SER 90 QB SER 90 -3.686 14.263 5.278 856 H LEU 91 H LEU 91 -3.735 11.626 2.876 857 HA LEU 91 HA LEU 91 -3.524 9.221 4.174 858 1HB LEU 91 1HB LEU 91 -2.120 10.607 1.973 859 2HB LEU 91 2HB LEU 91 -1.248 9.278 2.711 860 HG LEU 91 HG LEU 91 -4.091 8.951 1.754 861 1HD1 LEU 91 1HD1 LEU 91 -2.152 9.761 0.037 862 2HD1 LEU 91 2HD1 LEU 91 -1.943 7.994 -0.033 863 3HD1 LEU 91 3HD1 LEU 91 -3.524 8.719 -0.410 864 1HD2 LEU 91 1HD2 LEU 91 -2.254 7.279 3.113 865 2HD2 LEU 91 2HD2 LEU 91 -3.864 6.867 2.473 866 3HD2 LEU 91 3HD2 LEU 91 -2.419 6.642 1.459 867 MD1 LEU 91 MD1 LEU 91 -2.540 8.824 -0.135 868 MD2 LEU 91 MD2 LEU 91 -2.846 6.929 2.348 869 QB LEU 91 QB LEU 91 -1.684 9.943 2.342 870 QD LEU 91 QD LEU 91 -2.693 7.877 1.107 871 H SER 92 H SER 92 -1.950 12.265 4.866 872 HA SER 92 HA SER 92 0.385 11.429 5.981 873 1HB SER 92 1HB SER 92 -1.492 13.702 6.736 874 2HB SER 92 2HB SER 92 0.073 13.499 7.498 875 HG SER 92 HG SER 92 1.037 14.302 5.761 876 QB SER 92 QB SER 92 -0.709 13.601 7.117 877 H SER 93 H SER 93 -2.889 10.838 7.015 878 HA SER 93 HA SER 93 -1.849 9.908 9.579 879 1HB SER 93 1HB SER 93 -3.913 11.770 9.107 880 2HB SER 93 2HB SER 93 -4.760 10.286 9.497 881 HG SER 93 HG SER 93 -4.381 11.178 11.484 882 QB SER 93 QB SER 93 -4.337 11.028 9.302 883 H LEU 94 H LEU 94 -1.898 8.497 6.960 884 HA LEU 94 HA LEU 94 -3.937 6.465 7.529 885 1HB LEU 94 1HB LEU 94 -2.744 7.552 5.032 886 2HB LEU 94 2HB LEU 94 -3.138 5.845 5.058 887 HG LEU 94 HG LEU 94 -4.906 7.350 4.107 888 1HD1 LEU 94 1HD1 LEU 94 -5.386 5.405 6.331 889 2HD1 LEU 94 2HD1 LEU 94 -6.765 6.294 5.643 890 3HD1 LEU 94 3HD1 LEU 94 -5.751 5.275 4.594 891 1HD2 LEU 94 1HD2 LEU 94 -4.496 9.133 5.910 892 2HD2 LEU 94 2HD2 LEU 94 -6.176 8.810 5.418 893 3HD2 LEU 94 3HD2 LEU 94 -5.551 8.140 6.944 894 MD1 LEU 94 MD1 LEU 94 -5.967 5.658 5.523 895 MD2 LEU 94 MD2 LEU 94 -5.408 8.694 6.090 896 QB LEU 94 QB LEU 94 -2.941 6.698 5.045 897 QD LEU 94 QD LEU 94 -5.688 7.176 5.806 898 H SER 95 H SER 95 -3.007 4.215 6.452 899 HA SER 95 HA SER 95 -1.446 2.663 6.442 900 1HB SER 95 2HB SER 95 0.228 4.718 6.246 901 2HB SER 95 1HB SER 95 0.825 3.108 6.596 902 HG SER 95 HG SER 95 1.450 5.118 8.012 903 QB SER 95 QB SER 95 0.526 3.913 6.421 904 H LEU 96 H LEU 96 -3.305 3.674 8.705 905 HA LEU 96 HA LEU 96 -1.970 2.333 10.945 906 1HB LEU 96 1HB LEU 96 -4.481 3.890 11.294 907 2HB LEU 96 2HB LEU 96 -3.141 3.646 12.397 908 HG LEU 96 HG LEU 96 -2.716 5.285 9.917 909 1HD1 LEU 96 1HD1 LEU 96 -4.196 6.164 12.397 910 2HD1 LEU 96 2HD1 LEU 96 -3.340 7.308 11.335 911 3HD1 LEU 96 3HD1 LEU 96 -4.678 6.327 10.691 912 1HD2 LEU 96 1HD2 LEU 96 -1.411 4.930 12.576 913 2HD2 LEU 96 2HD2 LEU 96 -0.696 5.088 10.953 914 3HD2 LEU 96 3HD2 LEU 96 -1.315 6.528 11.797 915 MD1 LEU 96 MD1 LEU 96 -4.071 6.600 11.474 916 MD2 LEU 96 MD2 LEU 96 -1.141 5.516 11.775 917 QB LEU 96 QB LEU 96 -3.811 3.768 11.845 918 QD LEU 96 QD LEU 96 -2.606 6.058 11.625 919 H ALA 97 H ALA 97 -4.414 1.775 12.385 920 HA ALA 97 HA ALA 97 -5.233 -0.552 10.842 921 1HB ALA 97 1HB ALA 97 -5.420 0.283 13.751 922 2HB ALA 97 3HB ALA 97 -4.523 -1.082 13.044 923 3HB ALA 97 2HB ALA 97 -6.301 -1.127 13.115 924 MB ALA 97 MB ALA 97 -5.414 -0.642 13.304 925 H VAL 98 H VAL 98 -6.279 1.381 9.438 926 HA VAL 98 HA VAL 98 -8.615 2.569 10.440 927 HB VAL 98 HB VAL 98 -8.988 3.261 8.216 928 1HG1 VAL 98 1HG1 VAL 98 -6.903 4.101 9.404 929 2HG1 VAL 98 2HG1 VAL 98 -5.976 2.981 8.377 930 3HG1 VAL 98 3HG1 VAL 98 -6.925 4.290 7.634 931 1HG2 VAL 98 1HG2 VAL 98 -7.159 1.000 7.343 932 2HG2 VAL 98 2HG2 VAL 98 -8.912 1.129 7.066 933 3HG2 VAL 98 3HG2 VAL 98 -7.799 2.266 6.269 934 MG1 VAL 98 MG1 VAL 98 -6.601 3.791 8.472 935 MG2 VAL 98 MG2 VAL 98 -7.957 1.465 6.893 936 QG VAL 98 QG VAL 98 -7.279 2.628 7.682 937 HA PRO 99 HA PRO 99 -11.362 -0.768 10.221 938 1HB PRO 99 1HB PRO 99 -13.742 0.568 10.363 939 2HB PRO 99 2HB PRO 99 -12.763 0.202 11.770 940 1HG PRO 99 1HG PRO 99 -13.123 2.789 10.385 941 2HG PRO 99 2HG PRO 99 -12.513 2.483 11.999 942 1HD PRO 99 1HD PRO 99 -10.966 3.151 9.679 943 2HD PRO 99 2HD PRO 99 -10.349 2.733 11.265 944 QB PRO 99 QB PRO 99 -13.253 0.385 11.066 945 QG PRO 99 QG PRO 99 -12.818 2.636 11.192 946 QD PRO 99 QD PRO 99 -10.657 2.942 10.472 947 HA PRO 100 HA PRO 100 -12.899 -1.377 6.309 948 1HB PRO 100 1HB PRO 100 -15.226 -2.778 6.612 949 2HB PRO 100 2HB PRO 100 -13.641 -3.515 6.733 950 1HG PRO 100 1HG PRO 100 -15.537 -2.834 8.896 951 2HG PRO 100 2HG PRO 100 -14.171 -3.930 8.939 952 1HD PRO 100 1HD PRO 100 -14.282 -1.282 10.036 953 2HD PRO 100 2HD PRO 100 -12.882 -2.334 9.976 954 QB PRO 100 QB PRO 100 -14.433 -3.146 6.673 955 QG PRO 100 QG PRO 100 -14.854 -3.382 8.917 956 QD PRO 100 QD PRO 100 -13.582 -1.808 10.006 957 HA PRO 101 HA PRO 101 -15.537 1.749 5.166 958 1HB PRO 101 1HB PRO 101 -15.821 1.250 2.494 959 2HB PRO 101 2HB PRO 101 -14.438 2.087 3.171 960 1HG PRO 101 1HG PRO 101 -14.616 -0.688 2.168 961 2HG PRO 101 2HG PRO 101 -13.188 0.290 2.443 962 1HD PRO 101 1HD PRO 101 -14.164 -1.831 4.110 963 2HD PRO 101 2HD PRO 101 -12.804 -0.777 4.443 964 QB PRO 101 QB PRO 101 -15.129 1.669 2.833 965 QG PRO 101 QG PRO 101 -13.902 -0.199 2.305 966 QD PRO 101 QD PRO 101 -13.484 -1.304 4.277 967 H ARG 102 H ARG 102 -17.548 1.899 3.296 968 HA ARG 102 HA ARG 102 -19.427 0.169 4.653 969 1HB ARG 102 1HB ARG 102 -19.551 2.860 4.135 970 2HB ARG 102 2HB ARG 102 -20.385 2.254 2.717 971 1HG ARG 102 1HG ARG 102 -21.171 1.095 5.385 972 2HG ARG 102 2HG ARG 102 -21.672 2.740 5.042 973 1HD ARG 102 1HD ARG 102 -22.124 0.825 2.800 974 2HD ARG 102 2HD ARG 102 -23.057 0.483 4.244 975 HE ARG 102 HE ARG 102 -23.311 3.256 3.818 976 1HH1 ARG 102 1HH1 ARG 102 -24.124 0.295 2.049 977 2HH1 ARG 102 2HH1 ARG 102 -25.470 1.009 1.226 978 2HH2 ARG 102 HH2 ARG 102 -26.018 3.305 1.643 979 QB ARG 102 QB ARG 102 -19.968 2.557 3.426 980 QG ARG 102 QG ARG 102 -21.421 1.917 5.214 981 QD ARG 102 QD ARG 102 -22.590 0.654 3.522 982 QH1 ARG 102 QH1 ARG 102 -24.797 0.652 1.637 983 H PHE 103 H PHE 103 -17.965 0.910 1.502 984 HA PHE 103 HA PHE 103 -19.646 -0.005 -0.338 985 1HB PHE 103 2HB PHE 103 -17.602 -0.680 -1.550 986 2HB PHE 103 1HB PHE 103 -16.766 -1.028 -0.050 987 HD1 PHE 103 HD1 PHE 103 -18.463 1.856 -1.716 988 HD2 PHE 103 HD2 PHE 103 -15.232 0.521 0.689 989 HE1 PHE 103 HE1 PHE 103 -17.508 4.178 -1.710 990 HE2 PHE 103 HE2 PHE 103 -14.277 2.842 0.695 991 HZ PHE 103 HZ PHE 103 -15.427 4.643 -0.504 992 QB PHE 103 QB PHE 103 -17.184 -0.854 -0.800 993 QD PHE 103 QD PHE 103 -16.847 1.189 -0.514 994 QE PHE 103 QE PHE 103 -15.892 3.510 -0.508 995 QR PHE 103 QR PHE 103 -16.370 2.349 -0.511 996 H HIS 104 H HIS 104 -19.828 -2.140 -1.509 997 HA HIS 104 HA HIS 104 -20.638 -4.114 0.309 998 1HB HIS 104 2HB HIS 104 -21.450 -5.243 -1.529 999 2HB HIS 104 1HB HIS 104 -20.119 -4.763 -2.563 1000 HD1 HIS 104 HD1 HIS 104 -23.496 -3.661 -1.369 1001 HD2 HIS 104 HD2 HIS 104 -20.391 -2.190 -3.775 1002 HE1 HIS 104 HE1 HIS 104 -24.458 -1.666 -2.637 1003 QB HIS 104 QB HIS 104 -20.784 -5.003 -2.046 1004 H ASP 105 H ASP 105 -19.723 -6.138 0.856 1005 HA ASP 105 HA ASP 105 -16.924 -6.106 0.960 1006 1HB ASP 105 1HB ASP 105 -17.880 -7.247 2.760 1007 2HB ASP 105 2HB ASP 105 -19.136 -7.970 1.774 1008 HD2 ASP 105 HD2 ASP 105 -15.457 -8.785 2.122 1009 QB ASP 105 QB ASP 105 -18.508 -7.609 2.267 No H/Q in entry = 1009 Start of MODEL 8 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.946 0.981 -1.703 3 1HB LEU 7 2HB LEU 7 4.115 0.056 -1.885 4 2HB LEU 7 1HB LEU 7 3.752 -1.234 -0.755 5 HG LEU 7 HG LEU 7 3.955 0.135 1.107 6 1HD1 LEU 7 1HD1 LEU 7 5.959 0.575 -0.995 7 2HD1 LEU 7 2HD1 LEU 7 5.962 1.811 0.286 8 3HD1 LEU 7 3HD1 LEU 7 6.156 0.092 0.707 9 1HD2 LEU 7 1HD2 LEU 7 3.343 2.434 -0.743 10 2HD2 LEU 7 2HD2 LEU 7 2.471 1.895 0.712 11 3HD2 LEU 7 3HD2 LEU 7 4.055 2.691 0.868 12 MD1 LEU 7 MD1 LEU 7 6.026 0.826 0.000 13 MD2 LEU 7 MD2 LEU 7 3.290 2.340 0.279 14 QB LEU 7 QB LEU 7 3.934 -0.589 -1.320 15 QD LEU 7 QD LEU 7 4.658 1.583 0.139 16 H SER 8 H SER 8 3.332 -1.380 -3.042 17 HA SER 8 HA SER 8 1.481 -2.084 -4.788 18 1HB SER 8 2HB SER 8 2.840 -4.020 -5.344 19 2HB SER 8 1HB SER 8 3.489 -4.110 -3.719 20 HG SER 8 HG SER 8 3.861 -1.691 -5.203 21 QB SER 8 QB SER 8 3.164 -4.065 -4.532 22 H LEU 9 H LEU 9 0.164 -4.094 -5.149 23 HA LEU 9 HA LEU 9 -1.698 -4.545 -3.268 24 1HB LEU 9 1HB LEU 9 -0.738 -6.751 -5.073 25 2HB LEU 9 2HB LEU 9 -2.363 -6.438 -4.499 26 HG LEU 9 HG LEU 9 -0.813 -5.031 -6.657 27 1HD1 LEU 9 1HD1 LEU 9 -3.128 -6.799 -6.475 28 2HD1 LEU 9 2HD1 LEU 9 -3.452 -5.333 -7.430 29 3HD1 LEU 9 3HD1 LEU 9 -2.093 -6.397 -7.866 30 1HD2 LEU 9 1HD2 LEU 9 -2.731 -3.797 -4.795 31 2HD2 LEU 9 2HD2 LEU 9 -1.524 -3.054 -5.872 32 3HD2 LEU 9 3HD2 LEU 9 -3.105 -3.557 -6.519 33 MD1 LEU 9 MD1 LEU 9 -2.891 -6.176 -7.257 34 MD2 LEU 9 MD2 LEU 9 -2.454 -3.469 -5.729 35 QB LEU 9 QB LEU 9 -1.551 -6.595 -4.786 36 QD LEU 9 QD LEU 9 -2.672 -4.823 -6.493 37 H THR 10 H THR 10 1.500 -6.159 -3.558 38 HA THR 10 HA THR 10 1.190 -8.188 -1.748 39 HB THR 10 HB THR 10 3.717 -7.759 -1.391 40 HG1 THR 10 HG1 THR 10 4.484 -5.919 -2.579 41 1HG2 THR 10 1HG2 THR 10 2.808 -9.089 -3.385 42 2HG2 THR 10 2HG2 THR 10 2.806 -7.566 -4.306 43 3HG2 THR 10 3HG2 THR 10 4.340 -8.241 -3.705 44 MG THR 10 MG THR 10 3.318 -8.298 -3.799 45 H GLN 11 H GLN 11 2.169 -4.778 -1.000 46 HA GLN 11 HA GLN 11 2.065 -5.343 1.774 47 1HB GLN 11 1HB GLN 11 2.962 -3.185 0.046 48 2HB GLN 11 2HB GLN 11 1.991 -2.524 1.346 49 1HG GLN 11 1HG GLN 11 3.843 -4.609 2.306 50 2HG GLN 11 2HG GLN 11 4.690 -3.297 1.512 51 2HE2 GLN 11 1HE2 GLN 11 5.531 -3.003 3.701 52 1HE2 GLN 11 2HE2 GLN 11 4.668 -2.004 4.822 53 QB GLN 11 QB GLN 11 2.476 -2.855 0.696 54 QG GLN 11 QG GLN 11 4.267 -3.953 1.909 55 QE GLN 11 QE GLN 11 5.100 -2.504 4.261 56 H LEU 12 H LEU 12 -0.138 -4.061 -0.703 57 HA LEU 12 HA LEU 12 -1.949 -2.699 0.822 58 1HB LEU 12 1HB LEU 12 -1.762 -3.242 -1.741 59 2HB LEU 12 2HB LEU 12 -2.874 -4.539 -1.348 60 HG LEU 12 HG LEU 12 -4.220 -2.766 -2.088 61 1HD1 LEU 12 1HD1 LEU 12 -4.684 -3.857 0.287 62 2HD1 LEU 12 2HD1 LEU 12 -4.480 -2.173 0.824 63 3HD1 LEU 12 3HD1 LEU 12 -5.723 -2.577 -0.385 64 1HD2 LEU 12 1HD2 LEU 12 -2.512 -1.003 -2.001 65 2HD2 LEU 12 2HD2 LEU 12 -4.065 -0.461 -1.322 66 3HD2 LEU 12 3HD2 LEU 12 -2.721 -0.891 -0.237 67 MD1 LEU 12 MD1 LEU 12 -4.962 -2.869 0.242 68 MD2 LEU 12 MD2 LEU 12 -3.100 -0.785 -1.187 69 QB LEU 12 QB LEU 12 -2.318 -3.891 -1.544 70 QD LEU 12 QD LEU 12 -4.031 -1.827 -0.472 71 H SER 13 H SER 13 -1.600 -6.255 0.357 72 HA SER 13 HA SER 13 -2.712 -6.727 2.877 73 1HB SER 13 1HB SER 13 -4.554 -6.761 0.555 74 2HB SER 13 2HB SER 13 -4.593 -8.239 1.496 75 HG SER 13 HG SER 13 -4.568 -6.040 3.166 76 QB SER 13 QB SER 13 -4.573 -7.500 1.026 77 H SER 14 H SER 14 -0.310 -7.504 2.099 78 HA SER 14 HA SER 14 1.041 -9.166 1.754 79 1HB SER 14 1HB SER 14 -1.201 -10.297 3.139 80 2HB SER 14 2HB SER 14 -0.676 -11.487 1.965 81 HG SER 14 HG SER 14 0.952 -10.208 3.992 82 QB SER 14 QB SER 14 -0.938 -10.892 2.552 83 H GLY 15 H GLY 15 -0.934 -8.159 -0.451 84 1HA GLY 15 1HA GLY 15 -1.033 -8.480 -2.685 85 2HA GLY 15 2HA GLY 15 0.063 -9.839 -2.532 86 QA GLY 15 QA GLY 15 -0.485 -9.159 -2.608 87 H ASN 16 H ASN 16 -3.155 -9.313 -0.951 88 HA ASN 16 HA ASN 16 -3.934 -11.930 -1.438 89 1HB ASN 16 1HB ASN 16 -4.832 -10.111 0.267 90 2HB ASN 16 2HB ASN 16 -5.904 -9.642 -1.038 91 2HD2 ASN 16 1HD2 ASN 16 -6.203 -11.018 1.654 92 1HD2 ASN 16 2HD2 ASN 16 -7.189 -12.409 1.349 93 QB ASN 16 QB ASN 16 -5.368 -9.877 -0.385 94 QD ASN 16 QD ASN 16 -6.696 -11.714 1.502 95 HA PRO 17 HA PRO 17 -5.245 -11.242 -5.608 96 1HB PRO 17 1HB PRO 17 -5.980 -13.807 -6.197 97 2HB PRO 17 2HB PRO 17 -4.330 -13.230 -6.327 98 1HG PRO 17 2HG PRO 17 -3.836 -14.727 -4.643 99 2HG PRO 17 1HG PRO 17 -5.529 -14.966 -4.256 100 1HD PRO 17 1HD PRO 17 -5.262 -13.614 -2.417 101 2HD PRO 17 2HD PRO 17 -3.601 -13.283 -2.869 102 QB PRO 17 QB PRO 17 -5.155 -13.519 -6.262 103 QG PRO 17 QG PRO 17 -4.683 -14.846 -4.450 104 QD PRO 17 QD PRO 17 -4.432 -13.448 -2.643 105 H VAL 18 H VAL 18 -7.157 -12.370 -3.031 106 HA VAL 18 HA VAL 18 -9.575 -12.809 -4.141 107 HB VAL 18 HB VAL 18 -9.017 -12.945 -1.760 108 1HG1 VAL 18 1HG1 VAL 18 -7.823 -10.641 -1.815 109 2HG1 VAL 18 2HG1 VAL 18 -9.443 -9.969 -1.509 110 3HG1 VAL 18 3HG1 VAL 18 -8.718 -11.107 -0.348 111 1HG2 VAL 18 1HG2 VAL 18 -11.368 -12.941 -2.443 112 2HG2 VAL 18 2HG2 VAL 18 -11.165 -12.127 -0.874 113 3HG2 VAL 18 3HG2 VAL 18 -11.406 -11.164 -2.352 114 MG1 VAL 18 MG1 VAL 18 -8.661 -10.572 -1.224 115 MG2 VAL 18 MG2 VAL 18 -11.313 -12.077 -1.889 116 QG VAL 18 QG VAL 18 -9.987 -11.325 -1.557 117 H TYR 19 H TYR 19 -8.015 -9.609 -3.527 118 HA TYR 19 HA TYR 19 -10.216 -8.086 -4.386 119 1HB TYR 19 1HB TYR 19 -7.200 -7.814 -4.010 120 2HB TYR 19 2HB TYR 19 -8.040 -6.501 -4.811 121 HD1 TYR 19 HD1 TYR 19 -10.574 -6.330 -3.321 122 HD2 TYR 19 HD2 TYR 19 -6.600 -7.025 -1.899 123 HE1 TYR 19 HE1 TYR 19 -11.207 -5.360 -1.057 124 HE2 TYR 19 HE2 TYR 19 -7.245 -6.053 0.360 125 HH TYR 19 HH TYR 19 -9.590 -5.872 1.636 126 QB TYR 19 QB TYR 19 -7.620 -7.158 -4.410 127 QD TYR 19 QD TYR 19 -8.587 -6.677 -2.610 128 QE TYR 19 QE TYR 19 -9.226 -5.706 -0.349 129 QR TYR 19 QR TYR 19 -8.906 -6.192 -1.479 130 H GLU 20 H GLU 20 -7.454 -9.611 -6.085 131 HA GLU 20 HA GLU 20 -7.681 -8.191 -8.439 132 1HB GLU 20 1HB GLU 20 -6.224 -10.463 -7.443 133 2HB GLU 20 2HB GLU 20 -6.889 -10.907 -9.003 134 1HG GLU 20 1HG GLU 20 -5.744 -8.168 -8.945 135 2HG GLU 20 2HG GLU 20 -4.567 -9.422 -8.606 136 HE2 GLU 20 HE2 GLU 20 -4.680 -8.284 -11.700 137 QB GLU 20 QB GLU 20 -6.557 -10.685 -8.223 138 QG GLU 20 QG GLU 20 -5.156 -8.795 -8.776 139 H LYS 21 H LYS 21 -9.509 -10.963 -7.139 140 HA LYS 21 HA LYS 21 -10.676 -11.836 -9.504 141 1HB LYS 21 1HB LYS 21 -11.657 -11.907 -6.637 142 2HB LYS 21 2HB LYS 21 -12.449 -12.741 -7.959 143 1HG LYS 21 1HG LYS 21 -9.597 -13.310 -8.043 144 2HG LYS 21 2HG LYS 21 -10.199 -13.627 -6.428 145 1HD LYS 21 1HD LYS 21 -12.205 -14.732 -8.007 146 2HD LYS 21 2HD LYS 21 -10.776 -15.050 -8.971 147 1HE LYS 21 1HE LYS 21 -9.689 -15.959 -6.799 148 2HE LYS 21 2HE LYS 21 -11.289 -15.897 -6.087 149 QB LYS 21 QB LYS 21 -12.053 -12.324 -7.298 150 QD LYS 21 QD LYS 21 -11.490 -14.891 -8.489 151 QG LYS 21 QG LYS 21 -9.898 -13.469 -7.236 152 QE LYS 21 QE LYS 21 -10.489 -15.928 -6.443 153 QZ LYS 21 QZ LYS 21 -11.172 -17.829 -7.405 154 H TYR 22 H TYR 22 -11.620 -9.235 -7.189 155 HA TYR 22 HA TYR 22 -14.008 -8.619 -8.617 156 1HB TYR 22 1HB TYR 22 -12.211 -7.169 -6.575 157 2HB TYR 22 2HB TYR 22 -13.792 -6.574 -7.039 158 HD1 TYR 22 HD1 TYR 22 -15.845 -7.919 -6.459 159 HD2 TYR 22 HD2 TYR 22 -11.964 -8.912 -4.956 160 HE1 TYR 22 HE1 TYR 22 -16.906 -9.341 -4.638 161 HE2 TYR 22 HE2 TYR 22 -13.038 -10.330 -3.140 162 HH TYR 22 HH TYR 22 -16.170 -10.079 -2.275 163 QB TYR 22 QB TYR 22 -13.001 -6.871 -6.807 164 QD TYR 22 QD TYR 22 -13.905 -8.415 -5.708 165 QE TYR 22 QE TYR 22 -14.972 -9.835 -3.889 166 QR TYR 22 QR TYR 22 -14.439 -9.125 -4.798 167 H TYR 23 H TYR 23 -10.703 -7.148 -8.372 168 HA TYR 23 HA TYR 23 -11.154 -4.922 -9.922 169 1HB TYR 23 1HB TYR 23 -9.043 -5.176 -8.792 170 2HB TYR 23 2HB TYR 23 -8.875 -6.845 -9.298 171 HD1 TYR 23 HD1 TYR 23 -8.023 -7.400 -11.552 172 HD2 TYR 23 HD2 TYR 23 -8.278 -3.349 -10.198 173 HE1 TYR 23 HE1 TYR 23 -6.473 -6.667 -13.430 174 HE2 TYR 23 HE2 TYR 23 -6.728 -2.630 -12.080 175 HH TYR 23 HH TYR 23 -5.329 -5.037 -14.282 176 QB TYR 23 QB TYR 23 -8.959 -6.010 -9.045 177 QD TYR 23 QD TYR 23 -8.151 -5.374 -10.875 178 QE TYR 23 QE TYR 23 -6.600 -4.649 -12.755 179 QR TYR 23 QR TYR 23 -7.376 -5.012 -11.815 180 H ARG 24 H ARG 24 -11.015 -8.308 -10.867 181 HA ARG 24 HA ARG 24 -10.554 -7.571 -13.611 182 1HB ARG 24 1HB ARG 24 -9.549 -9.655 -12.405 183 2HB ARG 24 2HB ARG 24 -11.144 -10.367 -12.542 184 1HG ARG 24 1HG ARG 24 -9.792 -9.197 -14.995 185 2HG ARG 24 2HG ARG 24 -9.359 -10.802 -14.440 186 1HD ARG 24 1HD ARG 24 -12.164 -10.853 -14.376 187 2HD ARG 24 2HD ARG 24 -11.822 -9.891 -15.801 188 HE ARG 24 HE ARG 24 -10.160 -12.283 -15.677 189 1HH1 ARG 24 1HH1 ARG 24 -13.361 -11.085 -16.611 190 2HH1 ARG 24 2HH1 ARG 24 -13.640 -12.356 -17.755 191 2HH2 ARG 24 HH2 ARG 24 -11.961 -14.035 -18.076 192 QB ARG 24 QB ARG 24 -10.346 -10.011 -12.474 193 QG ARG 24 QG ARG 24 -9.576 -10.000 -14.717 194 QD ARG 24 QD ARG 24 -11.993 -10.372 -15.088 195 QH1 ARG 24 QH1 ARG 24 -13.501 -11.720 -17.183 196 H GLN 25 H GLN 25 -13.141 -8.290 -11.363 197 HA GLN 25 HA GLN 25 -14.998 -9.345 -13.127 198 1HB GLN 25 1HB GLN 25 -15.064 -8.027 -10.437 199 2HB GLN 25 2HB GLN 25 -16.584 -8.093 -11.307 200 1HG GLN 25 1HG GLN 25 -15.421 -10.672 -11.628 201 2HG GLN 25 2HG GLN 25 -15.148 -10.246 -9.950 202 2HE2 GLN 25 1HE2 GLN 25 -17.372 -8.555 -9.572 203 1HE2 GLN 25 2HE2 GLN 25 -18.819 -9.507 -9.568 204 QB GLN 25 QB GLN 25 -15.824 -8.060 -10.872 205 QG GLN 25 QG GLN 25 -15.285 -10.459 -10.789 206 QE GLN 25 QE GLN 25 -18.096 -9.031 -9.570 207 H VAL 26 H VAL 26 -14.035 -5.984 -12.340 208 HA VAL 26 HA VAL 26 -16.194 -4.856 -13.854 209 HB VAL 26 HB VAL 26 -15.488 -2.854 -13.039 210 1HG1 VAL 26 1HG1 VAL 26 -15.741 -4.638 -11.189 211 2HG1 VAL 26 2HG1 VAL 26 -13.971 -4.528 -11.034 212 3HG1 VAL 26 3HG1 VAL 26 -14.980 -3.087 -10.761 213 1HG2 VAL 26 1HG2 VAL 26 -12.721 -3.931 -13.448 214 2HG2 VAL 26 2HG2 VAL 26 -13.446 -2.400 -13.995 215 3HG2 VAL 26 3HG2 VAL 26 -12.960 -2.596 -12.294 216 MG1 VAL 26 MG1 VAL 26 -14.898 -4.084 -10.995 217 MG2 VAL 26 MG2 VAL 26 -13.042 -2.976 -13.245 218 QG VAL 26 QG VAL 26 -13.970 -3.530 -12.120 219 H GLU 27 H GLU 27 -12.953 -6.076 -14.439 220 HA GLU 27 HA GLU 27 -12.291 -4.551 -16.633 221 1HB GLU 27 1HB GLU 27 -10.725 -6.065 -15.449 222 2HB GLU 27 2HB GLU 27 -11.609 -7.462 -16.028 223 1HG GLU 27 1HG GLU 27 -11.032 -5.883 -18.339 224 2HG GLU 27 2HG GLU 27 -9.559 -5.907 -17.391 225 HE2 GLU 27 HE2 GLU 27 -9.915 -7.797 -19.899 226 QB GLU 27 QB GLU 27 -11.167 -6.763 -15.738 227 QG GLU 27 QG GLU 27 -10.295 -5.895 -17.865 228 H ALA 28 H ALA 28 -12.701 -4.711 -18.867 229 HA ALA 28 HA ALA 28 -14.815 -6.631 -19.566 230 1HB ALA 28 2HB ALA 28 -14.228 -3.997 -20.953 231 2HB ALA 28 3HB ALA 28 -15.698 -4.996 -21.052 232 3HB ALA 28 1HB ALA 28 -15.322 -4.111 -19.554 233 MB ALA 28 MB ALA 28 -15.083 -4.368 -20.520 234 H GLY 29 H GLY 29 -14.773 -7.219 -21.987 235 1HA GLY 29 1HA GLY 29 -13.698 -8.201 -23.697 236 2HA GLY 29 2HA GLY 29 -12.494 -6.935 -23.559 237 QA GLY 29 QA GLY 29 -13.096 -7.568 -23.628 238 H ASN 30 H ASN 30 -11.236 -9.031 -24.335 239 HA ASN 30 HA ASN 30 -10.373 -10.430 -21.927 240 1HB ASN 30 1HB ASN 30 -11.377 -11.602 -24.176 241 2HB ASN 30 2HB ASN 30 -9.700 -11.487 -24.672 242 2HD2 ASN 30 1HD2 ASN 30 -11.908 -13.420 -23.262 243 1HD2 ASN 30 2HD2 ASN 30 -10.908 -14.446 -22.288 244 QB ASN 30 QB ASN 30 -10.539 -11.544 -24.424 245 QD ASN 30 QD ASN 30 -11.408 -13.933 -22.775 246 H THR 31 H THR 31 -9.453 -7.764 -22.800 247 HA THR 31 HA THR 31 -6.914 -8.184 -24.126 248 HB THR 31 HB THR 31 -6.853 -5.609 -23.640 249 HG1 THR 31 HG1 THR 31 -8.553 -6.005 -21.912 250 1HG2 THR 31 1HG2 THR 31 -9.098 -6.917 -25.255 251 2HG2 THR 31 2HG2 THR 31 -8.801 -5.162 -25.265 252 3HG2 THR 31 3HG2 THR 31 -7.555 -6.278 -25.872 253 MG THR 31 MG THR 31 -8.485 -6.119 -25.464 254 H GLY 32 H GLY 32 -8.179 -7.610 -20.834 255 1HA GLY 32 1HA GLY 32 -7.007 -8.457 -18.973 256 2HA GLY 32 2HA GLY 32 -5.489 -8.245 -19.823 257 QA GLY 32 QA GLY 32 -6.248 -8.351 -19.398 258 H ARG 33 H ARG 33 -7.899 -5.686 -20.110 259 HA ARG 33 HA ARG 33 -6.449 -4.187 -18.084 260 1HB ARG 33 1HB ARG 33 -6.634 -2.159 -19.574 261 2HB ARG 33 2HB ARG 33 -5.622 -3.415 -20.259 262 1HG ARG 33 1HG ARG 33 -6.938 -3.465 -22.101 263 2HG ARG 33 2HG ARG 33 -8.289 -3.991 -21.117 264 1HD ARG 33 1HD ARG 33 -9.269 -2.017 -21.727 265 2HD ARG 33 2HD ARG 33 -8.223 -1.283 -20.528 266 HE ARG 33 HE ARG 33 -6.967 -0.328 -22.253 267 1HH1 ARG 33 1HH1 ARG 33 -8.855 -3.012 -23.588 268 2HH1 ARG 33 2HH1 ARG 33 -8.408 -2.674 -25.227 269 2HH2 ARG 33 HH2 ARG 33 -6.950 -0.829 -25.690 270 QB ARG 33 QB ARG 33 -6.128 -2.787 -19.916 271 QG ARG 33 QG ARG 33 -7.613 -3.728 -21.609 272 QD ARG 33 QD ARG 33 -8.746 -1.650 -21.128 273 QH1 ARG 33 QH1 ARG 33 -8.631 -2.843 -24.408 274 H VAL 34 H VAL 34 -7.734 -2.508 -17.004 275 HA VAL 34 HA VAL 34 -10.602 -3.035 -17.251 276 HB VAL 34 HB VAL 34 -9.301 -3.372 -15.087 277 1HG1 VAL 34 1HG1 VAL 34 -8.164 -1.013 -15.506 278 2HG1 VAL 34 2HG1 VAL 34 -9.589 -0.428 -14.614 279 3HG1 VAL 34 3HG1 VAL 34 -8.489 -1.606 -13.859 280 1HG2 VAL 34 1HG2 VAL 34 -11.762 -3.257 -15.221 281 2HG2 VAL 34 2HG2 VAL 34 -11.143 -2.545 -13.712 282 3HG2 VAL 34 3HG2 VAL 34 -11.683 -1.488 -15.039 283 MG1 VAL 34 MG1 VAL 34 -8.747 -1.016 -14.660 284 MG2 VAL 34 MG2 VAL 34 -11.529 -2.430 -14.657 285 QG VAL 34 QG VAL 34 -10.138 -1.723 -14.658 286 H LEU 35 H LEU 35 -11.637 -1.648 -18.591 287 HA LEU 35 HA LEU 35 -10.583 0.765 -19.448 288 1HB LEU 35 1HB LEU 35 -13.016 -0.769 -19.746 289 2HB LEU 35 2HB LEU 35 -13.374 0.944 -19.643 290 HG LEU 35 HG LEU 35 -11.306 -0.163 -21.551 291 1HD1 LEU 35 1HD1 LEU 35 -13.439 -1.262 -22.024 292 2HD1 LEU 35 2HD1 LEU 35 -14.246 0.323 -22.106 293 3HD1 LEU 35 3HD1 LEU 35 -13.006 -0.108 -23.308 294 1HD2 LEU 35 1HD2 LEU 35 -12.034 2.460 -20.793 295 2HD2 LEU 35 2HD2 LEU 35 -10.937 1.952 -22.100 296 3HD2 LEU 35 3HD2 LEU 35 -12.667 2.205 -22.437 297 MD1 LEU 35 MD1 LEU 35 -13.564 -0.349 -22.479 298 MD2 LEU 35 MD2 LEU 35 -11.879 2.206 -21.777 299 QB LEU 35 QB LEU 35 -13.195 0.088 -19.695 300 QD LEU 35 QD LEU 35 -12.722 0.928 -22.128 301 H ALA 36 H ALA 36 -11.917 -0.110 -16.392 302 HA ALA 36 HA ALA 36 -11.968 1.150 -14.532 303 1HB ALA 36 1HB ALA 36 -10.454 2.773 -15.928 304 2HB ALA 36 2HB ALA 36 -11.949 3.721 -16.118 305 3HB ALA 36 3HB ALA 36 -11.303 3.395 -14.492 306 MB ALA 36 MB ALA 36 -11.235 3.296 -15.513 307 H LEU 37 H LEU 37 -13.777 2.477 -17.377 308 HA LEU 37 HA LEU 37 -15.871 3.659 -16.225 309 1HB LEU 37 1HB LEU 37 -15.565 1.957 -18.648 310 2HB LEU 37 2HB LEU 37 -17.191 2.387 -18.157 311 HG LEU 37 HG LEU 37 -16.379 4.823 -18.140 312 1HD1 LEU 37 1HD1 LEU 37 -14.046 3.478 -19.499 313 2HD1 LEU 37 2HD1 LEU 37 -14.475 5.176 -19.816 314 3HD1 LEU 37 3HD1 LEU 37 -14.043 4.660 -18.168 315 1HD2 LEU 37 1HD2 LEU 37 -16.559 3.285 -20.745 316 2HD2 LEU 37 2HD2 LEU 37 -17.910 3.972 -19.812 317 3HD2 LEU 37 3HD2 LEU 37 -16.717 5.049 -20.576 318 MD1 LEU 37 MD1 LEU 37 -14.188 4.438 -19.161 319 MD2 LEU 37 MD2 LEU 37 -17.062 4.102 -20.378 320 QB LEU 37 QB LEU 37 -16.378 2.172 -18.403 321 QD LEU 37 QD LEU 37 -15.625 4.270 -19.769 322 H ASP 38 H ASP 38 -15.530 0.076 -16.665 323 HA ASP 38 HA ASP 38 -17.944 -0.510 -15.438 324 1HB ASP 38 1HB ASP 38 -15.606 -1.926 -16.448 325 2HB ASP 38 2HB ASP 38 -16.101 -2.639 -14.925 326 HD2 ASP 38 HD2 ASP 38 -18.071 -4.636 -16.707 327 QB ASP 38 QB ASP 38 -15.853 -2.283 -15.687 328 H ALA 39 H ALA 39 -14.520 -0.305 -14.260 329 HA ALA 39 HA ALA 39 -14.766 -1.262 -11.732 330 1HB ALA 39 3HB ALA 39 -12.846 0.153 -11.205 331 2HB ALA 39 1HB ALA 39 -12.680 -0.480 -12.860 332 3HB ALA 39 2HB ALA 39 -13.200 1.202 -12.599 333 MB ALA 39 MB ALA 39 -12.909 0.291 -12.221 334 H ALA 40 H ALA 40 -15.478 2.106 -12.878 335 HA ALA 40 HA ALA 40 -16.215 3.115 -10.397 336 1HB ALA 40 3HB ALA 40 -16.477 4.980 -11.633 337 2HB ALA 40 2HB ALA 40 -17.735 4.220 -12.636 338 3HB ALA 40 1HB ALA 40 -16.017 4.002 -13.048 339 MB ALA 40 MB ALA 40 -16.743 4.401 -12.439 340 H ALA 41 H ALA 41 -17.920 1.057 -12.742 341 HA ALA 41 HA ALA 41 -20.505 1.497 -11.669 342 1HB ALA 41 2HB ALA 41 -19.875 -1.080 -13.017 343 2HB ALA 41 3HB ALA 41 -21.158 0.106 -13.356 344 3HB ALA 41 1HB ALA 41 -19.503 0.392 -13.946 345 MB ALA 41 MB ALA 41 -20.178 -0.194 -13.440 346 H PHE 42 H PHE 42 -18.045 -1.151 -11.303 347 HA PHE 42 HA PHE 42 -19.479 -2.696 -9.535 348 1HB PHE 42 1HB PHE 42 -17.397 -3.460 -10.561 349 2HB PHE 42 2HB PHE 42 -16.520 -2.052 -9.996 350 HD1 PHE 42 HD1 PHE 42 -18.187 -5.152 -8.814 351 HD2 PHE 42 HD2 PHE 42 -15.346 -2.115 -7.968 352 HE1 PHE 42 HE1 PHE 42 -17.402 -6.444 -6.811 353 HE2 PHE 42 HE2 PHE 42 -14.561 -3.408 -5.964 354 HZ PHE 42 HZ PHE 42 -15.598 -5.557 -5.410 355 QB PHE 42 QB PHE 42 -16.959 -2.756 -10.278 356 QD PHE 42 QD PHE 42 -16.766 -3.633 -8.391 357 QE PHE 42 QE PHE 42 -15.981 -4.926 -6.388 358 QR PHE 42 QR PHE 42 -16.374 -4.280 -7.389 359 H LEU 43 H LEU 43 -17.205 0.047 -8.876 360 HA LEU 43 HA LEU 43 -17.107 -0.122 -6.154 361 1HB LEU 43 1HB LEU 43 -17.089 2.250 -8.013 362 2HB LEU 43 2HB LEU 43 -16.832 2.407 -6.286 363 HG LEU 43 HG LEU 43 -15.127 0.703 -8.123 364 1HD1 LEU 43 1HD1 LEU 43 -15.098 3.254 -8.477 365 2HD1 LEU 43 2HD1 LEU 43 -14.274 3.321 -6.901 366 3HD1 LEU 43 3HD1 LEU 43 -13.547 2.413 -8.248 367 1HD2 LEU 43 1HD2 LEU 43 -15.398 0.698 -5.309 368 2HD2 LEU 43 2HD2 LEU 43 -14.187 -0.145 -6.304 369 3HD2 LEU 43 3HD2 LEU 43 -13.845 1.485 -5.677 370 MD1 LEU 43 MD1 LEU 43 -14.306 2.996 -7.875 371 MD2 LEU 43 MD2 LEU 43 -14.477 0.679 -5.764 372 QB LEU 43 QB LEU 43 -16.961 2.328 -7.149 373 QD LEU 43 QD LEU 43 -14.392 1.838 -6.820 374 H LYS 44 H LYS 44 -19.609 1.510 -8.202 375 HA LYS 44 HA LYS 44 -21.118 2.593 -6.193 376 1HB LYS 44 1HB LYS 44 -21.898 1.457 -8.887 377 2HB LYS 44 2HB LYS 44 -23.033 2.293 -7.847 378 1HG LYS 44 1HG LYS 44 -20.641 3.894 -7.965 379 2HG LYS 44 2HG LYS 44 -21.038 3.427 -9.607 380 1HD LYS 44 1HD LYS 44 -23.533 4.108 -8.510 381 2HD LYS 44 2HD LYS 44 -22.447 5.284 -7.797 382 1HE LYS 44 1HE LYS 44 -23.155 6.281 -9.851 383 2HE LYS 44 2HE LYS 44 -21.534 5.700 -10.176 384 QB LYS 44 QB LYS 44 -22.465 1.875 -8.367 385 QD LYS 44 QD LYS 44 -22.990 4.696 -8.154 386 QG LYS 44 QG LYS 44 -20.839 3.660 -8.786 387 QE LYS 44 QE LYS 44 -22.345 5.991 -10.013 388 QZ LYS 44 QZ LYS 44 -23.463 4.085 -11.033 389 H LYS 45 H LYS 45 -20.540 -0.766 -6.949 390 HA LYS 45 HA LYS 45 -22.927 -1.686 -5.636 391 1HB LYS 45 1HB LYS 45 -20.518 -3.328 -6.439 392 2HB LYS 45 2HB LYS 45 -22.163 -3.874 -6.186 393 1HG LYS 45 1HG LYS 45 -22.798 -2.198 -8.101 394 2HG LYS 45 2HG LYS 45 -21.084 -2.172 -8.462 395 1HD LYS 45 1HD LYS 45 -21.051 -4.581 -8.861 396 2HD LYS 45 2HD LYS 45 -22.684 -4.761 -8.252 397 1HE LYS 45 1HE LYS 45 -22.402 -2.800 -10.483 398 2HE LYS 45 2HE LYS 45 -22.038 -4.458 -10.919 399 QB LYS 45 QB LYS 45 -21.340 -3.601 -6.312 400 QD LYS 45 QD LYS 45 -21.867 -4.671 -8.556 401 QG LYS 45 QG LYS 45 -21.941 -2.185 -8.282 402 QE LYS 45 QE LYS 45 -22.220 -3.629 -10.701 403 QZ LYS 45 QZ LYS 45 -24.448 -4.016 -9.842 404 H SER 46 H SER 46 -20.802 0.111 -4.286 405 HA SER 46 HA SER 46 -19.904 -1.703 -2.230 406 1HB SER 46 2HB SER 46 -18.352 0.021 -3.168 407 2HB SER 46 1HB SER 46 -18.552 0.161 -1.432 408 HG SER 46 HG SER 46 -19.421 1.896 -3.505 409 QB SER 46 QB SER 46 -18.452 0.091 -2.300 410 H GLY 47 H GLY 47 -21.238 1.679 -2.098 411 1HA GLY 47 1HA GLY 47 -23.648 1.194 -0.882 412 2HA GLY 47 2HA GLY 47 -22.487 1.196 0.430 413 QA GLY 47 QA GLY 47 -23.067 1.195 -0.226 414 H LEU 48 H LEU 48 -20.628 3.105 -0.993 415 HA LEU 48 HA LEU 48 -21.759 5.482 0.020 416 1HB LEU 48 1HB LEU 48 -19.268 4.732 -1.456 417 2HB LEU 48 2HB LEU 48 -19.697 6.424 -1.306 418 HG LEU 48 HG LEU 48 -19.502 4.610 1.101 419 1HD1 LEU 48 1HD1 LEU 48 -17.363 5.180 -0.587 420 2HD1 LEU 48 2HD1 LEU 48 -17.212 6.363 0.735 421 3HD1 LEU 48 3HD1 LEU 48 -17.278 4.622 1.102 422 1HD2 LEU 48 1HD2 LEU 48 -19.653 7.582 0.662 423 2HD2 LEU 48 2HD2 LEU 48 -20.627 6.542 1.730 424 3HD2 LEU 48 3HD2 LEU 48 -18.935 6.908 2.145 425 MD1 LEU 48 MD1 LEU 48 -17.285 5.388 0.417 426 MD2 LEU 48 MD2 LEU 48 -19.738 7.011 1.512 427 QB LEU 48 QB LEU 48 -19.482 5.578 -1.381 428 QD LEU 48 QD LEU 48 -18.511 6.200 0.965 429 HA PRO 49 HA PRO 49 -23.764 7.062 -3.458 430 1HB PRO 49 1HB PRO 49 -23.358 9.758 -3.266 431 2HB PRO 49 2HB PRO 49 -24.543 8.896 -2.305 432 1HG PRO 49 1HG PRO 49 -21.915 9.968 -1.480 433 2HG PRO 49 2HG PRO 49 -23.272 9.497 -0.477 434 1HD PRO 49 1HD PRO 49 -20.860 8.007 -0.911 435 2HD PRO 49 2HD PRO 49 -22.264 7.486 -0.002 436 QB PRO 49 QB PRO 49 -23.950 9.327 -2.785 437 QG PRO 49 QG PRO 49 -22.593 9.733 -0.979 438 QD PRO 49 QD PRO 49 -21.562 7.746 -0.457 439 H ASP 50 H ASP 50 -23.442 9.073 -5.244 440 HA ASP 50 HA ASP 50 -21.175 7.993 -6.650 441 1HB ASP 50 1HB ASP 50 -23.081 8.138 -8.044 442 2HB ASP 50 2HB ASP 50 -23.583 9.674 -7.367 443 HD2 ASP 50 HD2 ASP 50 -20.415 9.032 -8.493 444 QB ASP 50 QB ASP 50 -23.332 8.906 -7.705 445 H LEU 51 H LEU 51 -22.478 11.032 -5.232 446 HA LEU 51 HA LEU 51 -20.615 12.804 -6.301 447 1HB LEU 51 2HB LEU 51 -22.852 13.039 -4.856 448 2HB LEU 51 1HB LEU 51 -21.688 14.329 -5.080 449 HG LEU 51 HG LEU 51 -20.635 13.223 -2.869 450 1HD1 LEU 51 1HD1 LEU 51 -22.021 15.548 -3.524 451 2HD1 LEU 51 2HD1 LEU 51 -22.855 14.925 -2.080 452 3HD1 LEU 51 3HD1 LEU 51 -21.102 15.230 -2.033 453 1HD2 LEU 51 1HD2 LEU 51 -22.426 11.464 -2.844 454 2HD2 LEU 51 2HD2 LEU 51 -22.278 12.411 -1.344 455 3HD2 LEU 51 3HD2 LEU 51 -23.600 12.753 -2.486 456 MD1 LEU 51 MD1 LEU 51 -21.992 15.234 -2.546 457 MD2 LEU 51 MD2 LEU 51 -22.768 12.209 -2.225 458 QB LEU 51 QB LEU 51 -22.270 13.684 -4.968 459 QD LEU 51 QD LEU 51 -22.380 13.722 -2.385 460 H ILE 52 H ILE 52 -20.614 10.964 -3.175 461 HA ILE 52 HA ILE 52 -18.103 11.932 -2.375 462 HB ILE 52 HB ILE 52 -19.825 9.601 -1.586 463 1HG1 ILE 52 1HG1 ILE 52 -19.398 12.376 -0.689 464 2HG1 ILE 52 2HG1 ILE 52 -20.810 11.348 -0.555 465 1HG2 ILE 52 1HG2 ILE 52 -17.441 8.936 -1.359 466 2HG2 ILE 52 2HG2 ILE 52 -17.186 10.339 -0.294 467 3HG2 ILE 52 3HG2 ILE 52 -18.304 9.043 0.194 468 1HD1 ILE 52 1HD1 ILE 52 -19.639 10.062 1.288 469 2HD1 ILE 52 2HD1 ILE 52 -18.321 11.256 1.208 470 3HD1 ILE 52 3HD1 ILE 52 -19.957 11.767 1.687 471 MG ILE 52 MG ILE 52 -17.644 9.439 -0.487 472 MD ILE 52 MD ILE 52 -19.306 11.029 1.394 473 QG ILE 52 QG ILE 52 -20.104 11.862 -0.622 474 H LEU 53 H LEU 53 -19.172 9.226 -4.443 475 HA LEU 53 HA LEU 53 -16.724 7.862 -4.472 476 1HB LEU 53 1HB LEU 53 -19.231 7.885 -6.055 477 2HB LEU 53 2HB LEU 53 -17.816 7.220 -6.846 478 HG LEU 53 HG LEU 53 -19.015 6.284 -4.225 479 1HD1 LEU 53 1HD1 LEU 53 -20.177 5.758 -6.462 480 2HD1 LEU 53 2HD1 LEU 53 -18.792 4.683 -6.767 481 3HD1 LEU 53 3HD1 LEU 53 -19.833 4.412 -5.349 482 1HD2 LEU 53 1HD2 LEU 53 -16.343 5.970 -5.267 483 2HD2 LEU 53 2HD2 LEU 53 -17.034 5.421 -3.721 484 3HD2 LEU 53 3HD2 LEU 53 -17.161 4.392 -5.168 485 MD1 LEU 53 MD1 LEU 53 -19.601 4.951 -6.193 486 MD2 LEU 53 MD2 LEU 53 -16.846 5.261 -4.719 487 QB LEU 53 QB LEU 53 -18.524 7.553 -6.450 488 QD LEU 53 QD LEU 53 -18.224 5.106 -5.456 489 H GLY 54 H GLY 54 -18.157 10.261 -6.795 490 1HA GLY 54 1HA GLY 54 -16.253 10.473 -8.668 491 2HA GLY 54 2HA GLY 54 -17.100 11.859 -8.010 492 QA GLY 54 QA GLY 54 -16.677 11.166 -8.339 493 H LYS 55 H LYS 55 -16.104 11.991 -5.372 494 HA LYS 55 HA LYS 55 -13.697 13.323 -5.780 495 1HB LYS 55 1HB LYS 55 -15.205 12.378 -3.351 496 2HB LYS 55 2HB LYS 55 -13.619 13.103 -3.180 497 1HG LYS 55 1HG LYS 55 -14.695 14.946 -4.839 498 2HG LYS 55 2HG LYS 55 -16.187 14.351 -4.138 499 1HD LYS 55 1HD LYS 55 -14.040 14.852 -2.142 500 2HD LYS 55 2HD LYS 55 -14.553 16.289 -3.004 501 1HE LYS 55 1HE LYS 55 -16.740 16.193 -2.165 502 2HE LYS 55 2HE LYS 55 -16.706 14.452 -1.965 503 QB LYS 55 QB LYS 55 -14.412 12.740 -3.265 504 QD LYS 55 QD LYS 55 -14.297 15.571 -2.573 505 QG LYS 55 QG LYS 55 -15.441 14.649 -4.488 506 QE LYS 55 QE LYS 55 -16.723 15.322 -2.065 507 QZ LYS 55 QZ LYS 55 -15.216 15.694 -0.181 508 H ILE 56 H ILE 56 -14.419 10.000 -4.564 509 HA ILE 56 HA ILE 56 -11.816 9.321 -3.897 510 HB ILE 56 HB ILE 56 -14.170 7.679 -4.822 511 1HG1 ILE 56 1HG1 ILE 56 -13.067 8.496 -2.136 512 2HG1 ILE 56 2HG1 ILE 56 -14.687 8.711 -2.770 513 1HG2 ILE 56 1HG2 ILE 56 -11.488 6.842 -4.772 514 2HG2 ILE 56 2HG2 ILE 56 -12.231 6.185 -3.294 515 3HG2 ILE 56 3HG2 ILE 56 -12.947 5.829 -4.884 516 1HD1 ILE 56 1HD1 ILE 56 -14.376 5.951 -2.919 517 2HD1 ILE 56 2HD1 ILE 56 -13.491 6.364 -1.431 518 3HD1 ILE 56 3HD1 ILE 56 -15.202 6.823 -1.605 519 MG ILE 56 MG ILE 56 -12.222 6.285 -4.317 520 MD ILE 56 MD ILE 56 -14.356 6.379 -1.985 521 QG ILE 56 QG ILE 56 -13.877 8.604 -2.453 522 H TRP 57 H TRP 57 -13.622 8.698 -6.991 523 HA TRP 57 HA TRP 57 -11.544 7.547 -8.369 524 1HB TRP 57 1HB TRP 57 -13.966 7.733 -9.030 525 2HB TRP 57 2HB TRP 57 -13.638 9.374 -9.550 526 HD1 TRP 57 HD1 TRP 57 -11.731 9.570 -11.642 527 HE1 TRP 57 HE1 TRP 57 -11.263 8.016 -13.723 528 HE3 TRP 57 HE3 TRP 57 -14.020 5.447 -9.741 529 HZ2 TRP 57 HZ2 TRP 57 -11.890 5.298 -14.328 530 HZ3 TRP 57 HZ3 TRP 57 -14.048 3.384 -11.141 531 HH2 TRP 57 HH2 TRP 57 -13.032 3.268 -13.361 532 QB TRP 57 QB TRP 57 -13.802 8.553 -9.290 533 H ASP 58 H ASP 58 -12.538 11.045 -8.220 534 HA ASP 58 HA ASP 58 -10.645 12.080 -9.817 535 1HB ASP 58 1HB ASP 58 -12.526 13.065 -8.029 536 2HB ASP 58 2HB ASP 58 -11.032 13.592 -7.280 537 HD2 ASP 58 HD2 ASP 58 -10.580 16.176 -9.314 538 QB ASP 58 QB ASP 58 -11.779 13.328 -7.655 539 H LEU 59 H LEU 59 -10.314 10.612 -6.625 540 HA LEU 59 HA LEU 59 -7.643 11.719 -6.269 541 1HB LEU 59 1HB LEU 59 -9.021 11.832 -4.343 542 2HB LEU 59 2HB LEU 59 -9.514 10.157 -4.499 543 HG LEU 59 HG LEU 59 -7.801 10.791 -2.681 544 1HD1 LEU 59 1HD1 LEU 59 -8.181 8.443 -4.258 545 2HD1 LEU 59 2HD1 LEU 59 -6.452 8.580 -3.858 546 3HD1 LEU 59 3HD1 LEU 59 -7.670 8.583 -2.559 547 1HD2 LEU 59 1HD2 LEU 59 -6.411 11.905 -4.738 548 2HD2 LEU 59 2HD2 LEU 59 -5.700 11.399 -3.187 549 3HD2 LEU 59 3HD2 LEU 59 -5.612 10.320 -4.600 550 MD1 LEU 59 MD1 LEU 59 -7.434 8.535 -3.558 551 MD2 LEU 59 MD2 LEU 59 -5.907 11.208 -4.175 552 QB LEU 59 QB LEU 59 -9.267 10.994 -4.421 553 QD LEU 59 QD LEU 59 -6.671 9.872 -3.867 554 H ALA 60 H ALA 60 -9.377 8.820 -7.291 555 HA ALA 60 HA ALA 60 -7.104 7.102 -6.973 556 1HB ALA 60 3HB ALA 60 -8.635 5.477 -7.337 557 2HB ALA 60 2HB ALA 60 -9.239 6.257 -8.818 558 3HB ALA 60 1HB ALA 60 -9.847 6.776 -7.228 559 MB ALA 60 MB ALA 60 -9.240 6.170 -7.794 560 H ASP 61 H ASP 61 -8.953 8.369 -9.844 561 HA ASP 61 HA ASP 61 -7.483 7.507 -11.830 562 1HB ASP 61 1HB ASP 61 -9.319 8.999 -12.267 563 2HB ASP 61 2HB ASP 61 -8.587 10.298 -11.348 564 HD2 ASP 61 HD2 ASP 61 -8.860 9.837 -14.846 565 QB ASP 61 QB ASP 61 -8.953 9.648 -11.808 566 H THR 62 H THR 62 -5.335 7.687 -12.545 567 HA THR 62 HA THR 62 -3.769 9.990 -11.688 568 HB THR 62 HB THR 62 -3.210 7.072 -10.977 569 HG1 THR 62 HG1 THR 62 -3.161 8.125 -8.889 570 1HG2 THR 62 1HG2 THR 62 -1.340 9.475 -11.135 571 2HG2 THR 62 2HG2 THR 62 -1.076 8.183 -9.939 572 3HG2 THR 62 3HG2 THR 62 -1.037 7.808 -11.679 573 MG THR 62 MG THR 62 -1.151 8.489 -10.918 574 H ASP 63 H ASP 63 -3.938 6.911 -13.562 575 HA ASP 63 HA ASP 63 -1.813 7.316 -15.176 576 1HB ASP 63 1HB ASP 63 -3.266 5.295 -15.187 577 2HB ASP 63 2HB ASP 63 -4.564 6.215 -15.922 578 HD2 ASP 63 HD2 ASP 63 -1.339 4.778 -17.277 579 QB ASP 63 QB ASP 63 -3.915 5.755 -15.555 580 H GLY 64 H GLY 64 -5.193 8.589 -15.441 581 1HA GLY 64 1HA GLY 64 -5.413 10.868 -16.255 582 2HA GLY 64 2HA GLY 64 -4.244 10.487 -17.503 583 QA GLY 64 QA GLY 64 -4.829 10.677 -16.879 584 H LYS 65 H LYS 65 -4.878 8.406 -18.881 585 HA LYS 65 HA LYS 65 -7.004 8.971 -20.420 586 1HB LYS 65 1HB LYS 65 -5.201 7.280 -20.840 587 2HB LYS 65 2HB LYS 65 -6.047 6.166 -19.785 588 1HG LYS 65 1HG LYS 65 -8.050 7.111 -21.541 589 2HG LYS 65 2HG LYS 65 -6.643 6.909 -22.566 590 1HD LYS 65 1HD LYS 65 -6.668 4.612 -20.894 591 2HD LYS 65 2HD LYS 65 -8.344 4.864 -21.342 592 1HE LYS 65 1HE LYS 65 -6.073 4.859 -23.382 593 2HE LYS 65 2HE LYS 65 -6.963 3.412 -22.950 594 QB LYS 65 QB LYS 65 -5.624 6.723 -20.312 595 QD LYS 65 QD LYS 65 -7.506 4.738 -21.118 596 QG LYS 65 QG LYS 65 -7.346 7.010 -22.053 597 QE LYS 65 QE LYS 65 -6.518 4.135 -23.166 598 QZ LYS 65 QZ LYS 65 -8.167 4.722 -24.549 599 H GLY 66 H GLY 66 -7.208 6.169 -18.127 600 1HA GLY 66 1HA GLY 66 -9.379 7.012 -16.642 601 2HA GLY 66 2HA GLY 66 -10.051 6.277 -18.084 602 QA GLY 66 QA GLY 66 -9.715 6.644 -17.363 603 H VAL 67 H VAL 67 -8.208 4.218 -18.646 604 HA VAL 67 HA VAL 67 -9.090 2.128 -17.219 605 HB VAL 67 HB VAL 67 -6.285 2.473 -18.296 606 1HG1 VAL 67 1HG1 VAL 67 -7.234 0.365 -16.848 607 2HG1 VAL 67 2HG1 VAL 67 -7.655 -0.140 -18.502 608 3HG1 VAL 67 3HG1 VAL 67 -5.966 0.246 -18.091 609 1HG2 VAL 67 1HG2 VAL 67 -8.922 1.908 -19.646 610 2HG2 VAL 67 2HG2 VAL 67 -7.647 3.064 -20.099 611 3HG2 VAL 67 3HG2 VAL 67 -7.392 1.319 -20.340 612 MG1 VAL 67 MG1 VAL 67 -6.952 0.157 -17.814 613 MG2 VAL 67 MG2 VAL 67 -7.987 2.097 -20.028 614 QG VAL 67 QG VAL 67 -7.469 1.127 -18.921 615 H LEU 68 H LEU 68 -8.441 0.909 -15.377 616 HA LEU 68 HA LEU 68 -6.968 2.539 -13.445 617 1HB LEU 68 1HB LEU 68 -8.740 0.153 -12.928 618 2HB LEU 68 2HB LEU 68 -8.080 1.266 -11.746 619 HG LEU 68 HG LEU 68 -10.221 1.827 -13.808 620 1HD1 LEU 68 1HD1 LEU 68 -10.923 0.620 -11.773 621 2HD1 LEU 68 2HD1 LEU 68 -10.292 1.957 -10.781 622 3HD1 LEU 68 3HD1 LEU 68 -11.650 2.240 -11.897 623 1HD2 LEU 68 1HD2 LEU 68 -8.856 3.792 -11.948 624 2HD2 LEU 68 2HD2 LEU 68 -8.760 3.765 -13.725 625 3HD2 LEU 68 3HD2 LEU 68 -10.308 4.123 -12.923 626 MD1 LEU 68 MD1 LEU 68 -10.955 1.606 -11.484 627 MD2 LEU 68 MD2 LEU 68 -9.308 3.893 -12.865 628 QB LEU 68 QB LEU 68 -8.410 0.709 -12.337 629 QD LEU 68 QD LEU 68 -10.131 2.749 -12.175 630 H SER 69 H SER 69 -5.817 0.968 -11.718 631 HA SER 69 HA SER 69 -4.436 -1.086 -13.245 632 1HB SER 69 1HB SER 69 -3.012 0.833 -11.357 633 2HB SER 69 2HB SER 69 -2.273 -0.362 -12.405 634 HG SER 69 HG SER 69 -3.903 1.389 -13.826 635 QB SER 69 QB SER 69 -2.642 0.236 -11.881 636 H LYS 70 H LYS 70 -2.632 -1.862 -11.152 637 HA LYS 70 HA LYS 70 -4.359 -3.425 -9.582 638 1HB LYS 70 1HB LYS 70 -1.384 -2.878 -9.366 639 2HB LYS 70 2HB LYS 70 -2.238 -4.089 -8.431 640 1HG LYS 70 1HG LYS 70 -2.818 -5.358 -10.392 641 2HG LYS 70 2HG LYS 70 -2.416 -4.035 -11.469 642 1HD LYS 70 1HD LYS 70 -0.223 -4.638 -11.548 643 2HD LYS 70 2HD LYS 70 -0.112 -4.741 -9.802 644 1HE LYS 70 1HE LYS 70 -0.861 -7.018 -9.766 645 2HE LYS 70 2HE LYS 70 -1.504 -6.926 -11.394 646 QB LYS 70 QB LYS 70 -1.811 -3.484 -8.899 647 QD LYS 70 QD LYS 70 -0.168 -4.689 -10.675 648 QG LYS 70 QG LYS 70 -2.617 -4.696 -10.931 649 QE LYS 70 QE LYS 70 -1.183 -6.972 -10.580 650 QZ LYS 70 QZ LYS 70 0.879 -6.918 -11.808 651 H GLN 71 H GLN 71 -1.778 -1.569 -7.962 652 HA GLN 71 HA GLN 71 -3.027 -1.181 -5.662 653 1HB GLN 71 1HB GLN 71 -0.729 -0.149 -6.922 654 2HB GLN 71 2HB GLN 71 -1.609 1.278 -6.413 655 1HG GLN 71 1HG GLN 71 -1.719 -0.677 -4.276 656 2HG GLN 71 2HG GLN 71 -0.052 -0.514 -4.792 657 2HE2 GLN 71 1HE2 GLN 71 -0.452 0.267 -2.362 658 1HE2 GLN 71 2HE2 GLN 71 -0.507 1.987 -2.169 659 QB GLN 71 QB GLN 71 -1.169 0.564 -6.668 660 QG GLN 71 QG GLN 71 -0.885 -0.595 -4.534 661 QE GLN 71 QE GLN 71 -0.480 1.127 -2.266 662 H GLU 72 H GLU 72 -3.245 1.057 -8.512 663 HA GLU 72 HA GLU 72 -4.694 3.039 -7.528 664 1HB GLU 72 1HB GLU 72 -4.693 1.626 -10.174 665 2HB GLU 72 2HB GLU 72 -5.988 2.774 -9.897 666 1HG GLU 72 1HG GLU 72 -3.886 4.264 -8.995 667 2HG GLU 72 2HG GLU 72 -3.039 3.259 -10.155 668 HE2 GLU 72 HE2 GLU 72 -3.302 3.750 -12.209 669 QB GLU 72 QB GLU 72 -5.340 2.200 -10.035 670 QG GLU 72 QG GLU 72 -3.462 3.761 -9.575 671 H PHE 73 H PHE 73 -6.367 0.244 -9.155 672 HA PHE 73 HA PHE 73 -8.863 0.868 -8.107 673 1HB PHE 73 1HB PHE 73 -8.504 -0.607 -10.056 674 2HB PHE 73 2HB PHE 73 -7.489 -1.684 -9.118 675 HD1 PHE 73 HD1 PHE 73 -8.480 -3.267 -7.537 676 HD2 PHE 73 HD2 PHE 73 -10.916 -0.728 -9.909 677 HE1 PHE 73 HE1 PHE 73 -10.477 -4.696 -7.017 678 HE2 PHE 73 HE2 PHE 73 -12.913 -2.157 -9.388 679 HZ PHE 73 HZ PHE 73 -12.670 -4.124 -7.948 680 QB PHE 73 QB PHE 73 -7.997 -1.145 -9.587 681 QD PHE 73 QD PHE 73 -9.698 -1.997 -8.723 682 QE PHE 73 QE PHE 73 -11.695 -3.426 -8.203 683 QR PHE 73 QR PHE 73 -10.697 -2.712 -8.463 684 H PHE 74 H PHE 74 -6.143 -1.047 -6.811 685 HA PHE 74 HA PHE 74 -7.678 -2.306 -4.788 686 1HB PHE 74 1HB PHE 74 -4.852 -1.967 -5.714 687 2HB PHE 74 2HB PHE 74 -4.979 -2.171 -3.978 688 HD1 PHE 74 HD1 PHE 74 -6.539 -3.719 -7.008 689 HD2 PHE 74 HD2 PHE 74 -4.675 -4.323 -3.244 690 HE1 PHE 74 HE1 PHE 74 -6.726 -6.203 -7.314 691 HE2 PHE 74 HE2 PHE 74 -4.862 -6.807 -3.550 692 HZ PHE 74 HZ PHE 74 -5.885 -7.718 -5.581 693 QB PHE 74 QB PHE 74 -4.916 -2.069 -4.846 694 QD PHE 74 QD PHE 74 -5.607 -4.021 -5.126 695 QE PHE 74 QE PHE 74 -5.794 -6.505 -5.432 696 QR PHE 74 QR PHE 74 -5.700 -5.263 -5.279 697 H VAL 75 H VAL 75 -6.743 0.930 -5.246 698 HA VAL 75 HA VAL 75 -6.389 1.427 -2.397 699 HB VAL 75 HB VAL 75 -5.768 2.818 -4.938 700 1HG1 VAL 75 1HG1 VAL 75 -6.738 4.249 -2.472 701 2HG1 VAL 75 2HG1 VAL 75 -5.488 4.983 -3.506 702 3HG1 VAL 75 3HG1 VAL 75 -7.084 4.582 -4.186 703 1HG2 VAL 75 1HG2 VAL 75 -4.446 2.172 -2.337 704 2HG2 VAL 75 2HG2 VAL 75 -3.843 2.009 -4.004 705 3HG2 VAL 75 3HG2 VAL 75 -3.879 3.608 -3.223 706 MG1 VAL 75 MG1 VAL 75 -6.436 4.605 -3.388 707 MG2 VAL 75 MG2 VAL 75 -4.056 2.597 -3.188 708 QG VAL 75 QG VAL 75 -5.246 3.601 -3.288 709 H ALA 76 H ALA 76 -8.320 2.844 -5.138 710 HA ALA 76 HA ALA 76 -10.113 4.229 -3.613 711 1HB ALA 76 2HB ALA 76 -11.657 3.822 -5.633 712 2HB ALA 76 3HB ALA 76 -10.071 4.558 -5.965 713 3HB ALA 76 1HB ALA 76 -10.336 2.829 -6.295 714 MB ALA 76 MB ALA 76 -10.688 3.737 -5.964 715 H LEU 77 H LEU 77 -9.808 0.745 -4.109 716 HA LEU 77 HA LEU 77 -12.401 -0.028 -3.490 717 1HB LEU 77 1HB LEU 77 -9.940 -1.233 -4.044 718 2HB LEU 77 2HB LEU 77 -10.383 -1.834 -2.459 719 HG LEU 77 HG LEU 77 -12.043 -2.032 -4.986 720 1HD1 LEU 77 1HD1 LEU 77 -10.255 -3.924 -3.509 721 2HD1 LEU 77 2HD1 LEU 77 -11.697 -4.559 -4.336 722 3HD1 LEU 77 3HD1 LEU 77 -10.461 -3.670 -5.258 723 1HD2 LEU 77 1HD2 LEU 77 -12.936 -1.990 -2.303 724 2HD2 LEU 77 2HD2 LEU 77 -13.855 -2.411 -3.768 725 3HD2 LEU 77 3HD2 LEU 77 -13.014 -3.682 -2.849 726 MD1 LEU 77 MD1 LEU 77 -10.805 -4.051 -4.368 727 MD2 LEU 77 MD2 LEU 77 -13.268 -2.694 -2.974 728 QB LEU 77 QB LEU 77 -10.162 -1.534 -3.252 729 QD LEU 77 QD LEU 77 -12.036 -3.373 -3.671 730 H ARG 78 H ARG 78 -9.611 -0.377 -1.202 731 HA ARG 78 HA ARG 78 -11.208 -0.557 1.002 732 1HB ARG 78 1HB ARG 78 -8.313 0.201 0.543 733 2HB ARG 78 2HB ARG 78 -8.969 0.374 2.158 734 1HG ARG 78 1HG ARG 78 -8.878 -2.180 0.489 735 2HG ARG 78 2HG ARG 78 -7.966 -1.849 1.948 736 1HD ARG 78 1HD ARG 78 -9.666 -2.873 3.071 737 2HD ARG 78 2HD ARG 78 -10.589 -1.410 2.791 738 HE ARG 78 HE ARG 78 -11.091 -2.699 0.476 739 1HH1 ARG 78 1HH1 ARG 78 -11.046 -3.985 3.778 740 2HH1 ARG 78 2HH1 ARG 78 -12.212 -5.222 3.444 741 2HH2 ARG 78 HH2 ARG 78 -13.128 -5.407 1.238 742 QB ARG 78 QB ARG 78 -8.641 0.287 1.350 743 QG ARG 78 QG ARG 78 -8.422 -2.014 1.218 744 QD ARG 78 QD ARG 78 -10.128 -2.142 2.931 745 QH1 ARG 78 QH1 ARG 78 -11.629 -4.604 3.611 746 H LEU 79 H LEU 79 -9.819 2.300 -0.666 747 HA LEU 79 HA LEU 79 -10.098 4.244 1.203 748 1HB LEU 79 1HB LEU 79 -9.360 4.209 -1.330 749 2HB LEU 79 2HB LEU 79 -10.995 4.781 -1.595 750 HG LEU 79 HG LEU 79 -8.988 6.128 0.234 751 1HD1 LEU 79 1HD1 LEU 79 -9.337 6.240 -2.671 752 2HD1 LEU 79 2HD1 LEU 79 -9.422 7.834 -1.884 753 3HD1 LEU 79 3HD1 LEU 79 -7.993 6.800 -1.648 754 1HD2 LEU 79 1HD2 LEU 79 -11.817 6.416 -0.048 755 2HD2 LEU 79 2HD2 LEU 79 -10.693 7.322 0.993 756 3HD2 LEU 79 3HD2 LEU 79 -11.028 7.890 -0.660 757 MD1 LEU 79 MD1 LEU 79 -8.917 6.958 -2.067 758 MD2 LEU 79 MD2 LEU 79 -11.179 7.209 0.095 759 QB LEU 79 QB LEU 79 -10.177 4.495 -1.462 760 QD LEU 79 QD LEU 79 -10.048 7.084 -0.986 761 H VAL 80 H VAL 80 -12.669 2.775 -0.857 762 HA VAL 80 HA VAL 80 -14.719 4.487 -0.098 763 HB VAL 80 HB VAL 80 -14.535 1.681 -1.132 764 1HG1 VAL 80 1HG1 VAL 80 -16.463 1.708 0.424 765 2HG1 VAL 80 2HG1 VAL 80 -17.142 3.091 -0.468 766 3HG1 VAL 80 3HG1 VAL 80 -16.960 1.515 -1.274 767 1HG2 VAL 80 1HG2 VAL 80 -15.366 4.374 -2.192 768 2HG2 VAL 80 2HG2 VAL 80 -14.199 3.205 -2.855 769 3HG2 VAL 80 3HG2 VAL 80 -15.945 2.882 -2.971 770 MG1 VAL 80 MG1 VAL 80 -16.855 2.104 -0.439 771 MG2 VAL 80 MG2 VAL 80 -15.170 3.487 -2.673 772 QG VAL 80 QG VAL 80 -16.012 2.796 -1.556 773 H ALA 81 H ALA 81 -13.475 1.441 1.391 774 HA ALA 81 HA ALA 81 -15.429 1.200 3.347 775 1HB ALA 81 1HB ALA 81 -13.412 -0.329 2.546 776 2HB ALA 81 3HB ALA 81 -14.052 -0.459 4.201 777 3HB ALA 81 2HB ALA 81 -12.564 0.467 3.893 778 MB ALA 81 MB ALA 81 -13.342 -0.107 3.547 779 H CYS 82 H CYS 82 -12.813 3.502 2.944 780 HA CYS 82 HA CYS 82 -12.521 4.155 5.670 781 1HB CYS 82 1HB CYS 82 -11.156 4.764 3.356 782 2HB CYS 82 2HB CYS 82 -11.935 6.291 3.722 783 HG CYS 82 HG CYS 82 -9.518 5.513 4.868 784 QB CYS 82 QB CYS 82 -11.545 5.528 3.539 785 H ALA 83 H ALA 83 -14.057 5.959 2.894 786 HA ALA 83 HA ALA 83 -15.349 7.840 4.458 787 1HB ALA 83 2HB ALA 83 -16.961 7.619 2.266 788 2HB ALA 83 3HB ALA 83 -15.399 8.472 2.269 789 3HB ALA 83 1HB ALA 83 -15.496 6.796 1.679 790 MB ALA 83 MB ALA 83 -15.952 7.629 2.071 791 H GLN 84 H GLN 84 -15.955 4.435 4.043 792 HA GLN 84 HA GLN 84 -18.721 4.532 4.529 793 1HB GLN 84 1HB GLN 84 -16.650 2.312 4.757 794 2HB GLN 84 2HB GLN 84 -18.354 2.042 5.066 795 1HG GLN 84 1HG GLN 84 -18.041 3.501 2.563 796 2HG GLN 84 2HG GLN 84 -17.027 2.072 2.537 797 2HE2 GLN 84 1HE2 GLN 84 -18.355 0.249 3.983 798 1HE2 GLN 84 2HE2 GLN 84 -19.886 -0.153 3.277 799 QB GLN 84 QB GLN 84 -17.502 2.177 4.911 800 QG GLN 84 QG GLN 84 -17.534 2.787 2.550 801 QE GLN 84 QE GLN 84 -19.121 0.048 3.630 802 H ASN 85 H ASN 85 -16.122 5.371 6.481 803 HA ASN 85 HA ASN 85 -17.462 4.415 8.878 804 1HB ASN 85 1HB ASN 85 -14.905 4.025 8.394 805 2HB ASN 85 2HB ASN 85 -14.710 5.726 8.765 806 2HD2 ASN 85 1HD2 ASN 85 -13.532 5.431 10.594 807 1HD2 ASN 85 2HD2 ASN 85 -14.161 4.784 12.073 808 QB ASN 85 QB ASN 85 -14.808 4.875 8.580 809 QD ASN 85 QD ASN 85 -13.846 5.107 11.334 810 H GLY 86 H GLY 86 -16.876 7.146 6.828 811 1HA GLY 86 1HA GLY 86 -18.136 9.134 7.190 812 2HA GLY 86 2HA GLY 86 -17.879 8.973 8.916 813 QA GLY 86 QA GLY 86 -18.007 9.053 8.053 814 H LEU 87 H LEU 87 -15.004 8.030 7.400 815 HA LEU 87 HA LEU 87 -13.737 10.483 8.178 816 1HB LEU 87 2HB LEU 87 -11.688 9.330 7.719 817 2HB LEU 87 1HB LEU 87 -12.524 8.067 6.838 818 HG LEU 87 HG LEU 87 -13.750 7.618 9.095 819 1HD1 LEU 87 1HD1 LEU 87 -11.054 6.805 8.163 820 2HD1 LEU 87 2HD1 LEU 87 -11.475 6.391 9.842 821 3HD1 LEU 87 3HD1 LEU 87 -12.504 5.829 8.502 822 1HD2 LEU 87 1HD2 LEU 87 -12.365 9.817 9.932 823 2HD2 LEU 87 2HD2 LEU 87 -13.029 8.557 11.000 824 3HD2 LEU 87 3HD2 LEU 87 -11.320 8.496 10.507 825 MD1 LEU 87 MD1 LEU 87 -11.678 6.342 8.836 826 MD2 LEU 87 MD2 LEU 87 -12.238 8.957 10.479 827 QB LEU 87 QB LEU 87 -12.106 8.698 7.279 828 QD LEU 87 QD LEU 87 -11.958 7.649 9.658 829 H GLU 88 H GLU 88 -11.926 11.301 6.528 830 HA GLU 88 HA GLU 88 -13.236 12.609 4.552 831 1HB GLU 88 1HB GLU 88 -10.730 12.712 5.576 832 2HB GLU 88 2HB GLU 88 -10.357 11.917 4.060 833 1HG GLU 88 1HG GLU 88 -10.692 13.823 2.857 834 2HG GLU 88 2HG GLU 88 -12.222 14.148 3.647 835 HE2 GLU 88 HE2 GLU 88 -8.873 15.734 4.085 836 QB GLU 88 QB GLU 88 -10.544 12.314 4.818 837 QG GLU 88 QG GLU 88 -11.457 13.985 3.252 838 H VAL 89 H VAL 89 -12.619 12.455 2.073 839 HA VAL 89 HA VAL 89 -13.027 9.649 1.316 840 HB VAL 89 HB VAL 89 -13.706 12.170 -0.209 841 1HG1 VAL 89 1HG1 VAL 89 -14.243 9.232 -0.680 842 2HG1 VAL 89 2HG1 VAL 89 -15.225 10.508 -1.439 843 3HG1 VAL 89 3HG1 VAL 89 -13.478 10.415 -1.768 844 1HG2 VAL 89 1HG2 VAL 89 -14.940 11.671 2.045 845 2HG2 VAL 89 2HG2 VAL 89 -15.880 12.107 0.598 846 3HG2 VAL 89 3HG2 VAL 89 -15.759 10.403 1.101 847 MG1 VAL 89 MG1 VAL 89 -14.315 10.052 -1.296 848 MG2 VAL 89 MG2 VAL 89 -15.527 11.393 1.248 849 QG VAL 89 QG VAL 89 -14.921 10.723 -0.024 850 H SER 90 H SER 90 -10.610 11.892 1.663 851 HA SER 90 HA SER 90 -9.364 11.294 -0.873 852 1HB SER 90 1HB SER 90 -8.842 13.251 1.365 853 2HB SER 90 2HB SER 90 -7.518 12.827 0.298 854 HG SER 90 HG SER 90 -9.530 14.579 -0.153 855 QB SER 90 QB SER 90 -8.180 13.039 0.832 856 H LEU 91 H LEU 91 -6.913 10.699 -0.751 857 HA LEU 91 HA LEU 91 -6.659 8.273 0.567 858 1HB LEU 91 1HB LEU 91 -5.054 10.014 -1.118 859 2HB LEU 91 2HB LEU 91 -4.077 9.193 0.083 860 HG LEU 91 HG LEU 91 -5.899 7.887 -1.955 861 1HD1 LEU 91 1HD1 LEU 91 -3.252 8.828 -2.170 862 2HD1 LEU 91 2HD1 LEU 91 -3.146 7.055 -2.050 863 3HD1 LEU 91 3HD1 LEU 91 -4.150 7.804 -3.315 864 1HD2 LEU 91 1HD2 LEU 91 -5.175 6.896 0.568 865 2HD2 LEU 91 2HD2 LEU 91 -5.878 5.994 -0.797 866 3HD2 LEU 91 3HD2 LEU 91 -4.111 6.070 -0.596 867 MD1 LEU 91 MD1 LEU 91 -3.516 7.896 -2.512 868 MD2 LEU 91 MD2 LEU 91 -5.055 6.320 -0.275 869 QB LEU 91 QB LEU 91 -4.566 9.604 -0.517 870 QD LEU 91 QD LEU 91 -4.285 7.108 -1.393 871 H SER 92 H SER 92 -6.398 11.527 1.746 872 HA SER 92 HA SER 92 -4.526 11.059 3.762 873 1HB SER 92 1HB SER 92 -6.066 13.237 2.795 874 2HB SER 92 2HB SER 92 -6.517 13.073 4.480 875 HG SER 92 HG SER 92 -4.614 13.856 5.064 876 QB SER 92 QB SER 92 -6.291 13.155 3.638 877 H SER 93 H SER 93 -7.596 9.740 3.276 878 HA SER 93 HA SER 93 -8.242 9.685 6.093 879 1HB SER 93 1HB SER 93 -9.866 9.989 3.957 880 2HB SER 93 2HB SER 93 -9.894 8.238 4.039 881 HG SER 93 HG SER 93 -10.550 8.430 6.305 882 QB SER 93 QB SER 93 -9.880 9.113 3.998 883 H LEU 94 H LEU 94 -6.723 7.805 3.571 884 HA LEU 94 HA LEU 94 -7.227 5.257 4.775 885 1HB LEU 94 1HB LEU 94 -5.780 6.319 2.415 886 2HB LEU 94 2HB LEU 94 -5.190 4.808 3.078 887 HG LEU 94 HG LEU 94 -7.932 5.399 1.956 888 1HD1 LEU 94 1HD1 LEU 94 -5.689 4.614 0.664 889 2HD1 LEU 94 2HD1 LEU 94 -6.374 3.032 1.108 890 3HD1 LEU 94 3HD1 LEU 94 -7.340 4.184 0.154 891 1HD2 LEU 94 1HD2 LEU 94 -7.160 3.409 3.973 892 2HD2 LEU 94 2HD2 LEU 94 -8.767 4.010 3.499 893 3HD2 LEU 94 3HD2 LEU 94 -7.982 2.724 2.550 894 MD1 LEU 94 MD1 LEU 94 -6.468 3.943 0.642 895 MD2 LEU 94 MD2 LEU 94 -7.970 3.381 3.341 896 QB LEU 94 QB LEU 94 -5.485 5.563 2.746 897 QD LEU 94 QD LEU 94 -7.219 3.662 1.991 898 H SER 95 H SER 95 -4.948 3.887 5.006 899 HA SER 95 HA SER 95 -3.135 3.547 6.164 900 1HB SER 95 2HB SER 95 -2.541 5.960 5.183 901 2HB SER 95 1HB SER 95 -1.505 5.175 6.358 902 HG SER 95 HG SER 95 -1.787 7.020 7.434 903 QB SER 95 QB SER 95 -2.023 5.568 5.771 904 H LEU 96 H LEU 96 -6.006 4.403 7.257 905 HA LEU 96 HA LEU 96 -5.163 4.581 10.066 906 1HB LEU 96 2HB LEU 96 -6.944 5.924 10.551 907 2HB LEU 96 1HB LEU 96 -7.914 5.332 9.217 908 HG LEU 96 HG LEU 96 -6.427 6.603 7.644 909 1HD1 LEU 96 1HD1 LEU 96 -8.646 7.410 8.610 910 2HD1 LEU 96 2HD1 LEU 96 -7.674 8.441 9.688 911 3HD1 LEU 96 3HD1 LEU 96 -7.561 8.643 7.923 912 1HD2 LEU 96 1HD2 LEU 96 -4.471 6.710 9.199 913 2HD2 LEU 96 2HD2 LEU 96 -4.907 8.265 8.450 914 3HD2 LEU 96 3HD2 LEU 96 -5.353 7.936 10.141 915 MD1 LEU 96 MD1 LEU 96 -7.960 8.165 8.740 916 MD2 LEU 96 MD2 LEU 96 -4.910 7.637 9.263 917 QB LEU 96 QB LEU 96 -7.429 5.628 9.884 918 QD LEU 96 QD LEU 96 -6.435 7.901 9.002 919 H ALA 97 H ALA 97 -7.751 3.888 11.129 920 HA ALA 97 HA ALA 97 -7.612 1.027 10.630 921 1HB ALA 97 1HB ALA 97 -8.309 2.820 12.852 922 2HB ALA 97 2HB ALA 97 -9.480 1.497 12.637 923 3HB ALA 97 3HB ALA 97 -7.756 1.128 12.882 924 MB ALA 97 MB ALA 97 -8.515 1.815 12.790 925 H VAL 98 H VAL 98 -8.539 2.011 8.348 926 HA VAL 98 HA VAL 98 -11.210 2.720 8.200 927 HB VAL 98 HB VAL 98 -9.916 3.079 6.314 928 1HG1 VAL 98 1HG1 VAL 98 -8.800 0.395 6.910 929 2HG1 VAL 98 2HG1 VAL 98 -8.906 0.830 5.188 930 3HG1 VAL 98 3HG1 VAL 98 -8.000 1.869 6.314 931 1HG2 VAL 98 1HG2 VAL 98 -12.163 2.201 5.763 932 2HG2 VAL 98 2HG2 VAL 98 -10.961 1.826 4.504 933 3HG2 VAL 98 3HG2 VAL 98 -11.478 0.562 5.645 934 MG1 VAL 98 MG1 VAL 98 -8.569 1.031 6.138 935 MG2 VAL 98 MG2 VAL 98 -11.534 1.529 5.304 936 QG VAL 98 QG VAL 98 -10.051 1.280 5.721 937 HA PRO 99 HA PRO 99 -13.141 -1.022 9.259 938 1HB PRO 99 1HB PRO 99 -15.725 -0.309 8.728 939 2HB PRO 99 2HB PRO 99 -14.910 0.088 10.228 940 1HG PRO 99 1HG PRO 99 -15.547 1.850 7.941 941 2HG PRO 99 2HG PRO 99 -15.132 2.292 9.585 942 1HD PRO 99 1HD PRO 99 -13.418 2.421 7.289 943 2HD PRO 99 2HD PRO 99 -12.971 2.752 8.950 944 QB PRO 99 QB PRO 99 -15.318 -0.111 9.478 945 QG PRO 99 QG PRO 99 -15.340 2.071 8.763 946 QD PRO 99 QD PRO 99 -13.195 2.586 8.119 947 HA PRO 100 HA PRO 100 -13.956 -3.329 5.786 948 1HB PRO 100 1HB PRO 100 -16.006 -5.012 6.448 949 2HB PRO 100 2HB PRO 100 -14.347 -5.279 6.947 950 1HG PRO 100 2HG PRO 100 -15.110 -4.980 9.103 951 2HG PRO 100 1HG PRO 100 -16.633 -4.311 8.552 952 1HD PRO 100 1HD PRO 100 -15.863 -2.213 9.092 953 2HD PRO 100 2HD PRO 100 -14.301 -2.872 9.533 954 QB PRO 100 QB PRO 100 -15.177 -5.145 6.697 955 QG PRO 100 QG PRO 100 -15.871 -4.646 8.828 956 QD PRO 100 QD PRO 100 -15.082 -2.542 9.313 957 HA PRO 101 HA PRO 101 -16.913 -1.395 3.418 958 1HB PRO 101 1HB PRO 101 -16.487 -2.634 1.019 959 2HB PRO 101 2HB PRO 101 -15.520 -1.288 1.588 960 1HG PRO 101 2HG PRO 101 -13.756 -2.773 1.632 961 2HG PRO 101 1HG PRO 101 -14.819 -4.157 1.479 962 1HD PRO 101 1HD PRO 101 -14.542 -4.573 3.722 963 2HD PRO 101 2HD PRO 101 -13.574 -3.123 3.897 964 QB PRO 101 QB PRO 101 -16.003 -1.961 1.304 965 QG PRO 101 QG PRO 101 -14.287 -3.465 1.555 966 QD PRO 101 QD PRO 101 -14.058 -3.848 3.810 967 H ARG 102 H ARG 102 -18.434 -2.346 1.320 968 HA ARG 102 HA ARG 102 -20.112 -4.113 2.880 969 1HB ARG 102 1HB ARG 102 -20.744 -1.814 1.522 970 2HB ARG 102 2HB ARG 102 -21.079 -2.992 0.268 971 1HG ARG 102 1HG ARG 102 -22.167 -3.966 2.776 972 2HG ARG 102 2HG ARG 102 -22.708 -2.317 2.531 973 1HD ARG 102 1HD ARG 102 -23.051 -3.368 -0.008 974 2HD ARG 102 2HD ARG 102 -23.373 -4.777 0.983 975 HE ARG 102 HE ARG 102 -24.998 -2.338 0.827 976 1HH1 ARG 102 1HH1 ARG 102 -24.251 -5.210 2.764 977 2HH1 ARG 102 2HH1 ARG 102 -25.763 -5.185 3.610 978 2HH2 ARG 102 HH2 ARG 102 -27.359 -3.468 3.111 979 QB ARG 102 QB ARG 102 -20.911 -2.403 0.895 980 QG ARG 102 QG ARG 102 -22.438 -3.142 2.654 981 QD ARG 102 QD ARG 102 -23.212 -4.072 0.487 982 QH1 ARG 102 QH1 ARG 102 -25.007 -5.197 3.187 983 H PHE 103 H PHE 103 -18.200 -3.853 -0.102 984 HA PHE 103 HA PHE 103 -19.166 -5.665 -1.781 985 1HB PHE 103 1HB PHE 103 -16.273 -5.704 -0.750 986 2HB PHE 103 2HB PHE 103 -16.796 -6.047 -2.387 987 HD1 PHE 103 HD1 PHE 103 -18.147 -4.020 -3.512 988 HD2 PHE 103 HD2 PHE 103 -15.348 -3.635 -0.345 989 HE1 PHE 103 HE1 PHE 103 -17.775 -1.617 -4.133 990 HE2 PHE 103 HE2 PHE 103 -14.976 -1.232 -0.967 991 HZ PHE 103 HZ PHE 103 -16.194 -0.252 -2.854 992 QB PHE 103 QB PHE 103 -16.535 -5.875 -1.568 993 QD PHE 103 QD PHE 103 -16.748 -3.828 -1.928 994 QE PHE 103 QE PHE 103 -16.375 -1.425 -2.550 995 QR PHE 103 QR PHE 103 -16.561 -2.626 -2.239 996 H HIS 104 H HIS 104 -18.612 -7.995 -2.226 997 HA HIS 104 HA HIS 104 -19.321 -9.549 0.005 998 1HB HIS 104 2HB HIS 104 -19.481 -11.310 -1.477 999 2HB HIS 104 1HB HIS 104 -18.120 -10.777 -2.444 1000 HD1 HIS 104 HD1 HIS 104 -18.600 -8.599 -4.023 1001 HD2 HIS 104 HD2 HIS 104 -21.953 -10.567 -2.446 1002 HE1 HIS 104 HE1 HIS 104 -20.598 -7.837 -5.416 1003 QB HIS 104 QB HIS 104 -18.801 -11.044 -1.960 1004 H ASP 105 H ASP 105 -18.102 -11.018 1.263 1005 HA ASP 105 HA ASP 105 -16.356 -11.472 2.500 1006 1HB ASP 105 1HB ASP 105 -15.809 -13.177 0.999 1007 2HB ASP 105 2HB ASP 105 -15.544 -12.068 -0.331 1008 HD2 ASP 105 HD2 ASP 105 -13.567 -14.195 1.007 1009 QB ASP 105 QB ASP 105 -15.676 -12.622 0.334 No H/Q in entry = 1009 Start of MODEL 9 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.661 0.917 -1.273 3 1HB LEU 7 1HB LEU 7 2.624 -2.001 -0.722 4 2HB LEU 7 2HB LEU 7 3.166 -1.500 -2.312 5 HG LEU 7 HG LEU 7 4.376 -0.059 -0.011 6 1HD1 LEU 7 1HD1 LEU 7 4.151 -2.742 0.340 7 2HD1 LEU 7 2HD1 LEU 7 5.685 -2.649 -0.558 8 3HD1 LEU 7 3HD1 LEU 7 5.490 -1.750 0.966 9 1HD2 LEU 7 1HD2 LEU 7 4.845 -0.173 -2.708 10 2HD2 LEU 7 2HD2 LEU 7 6.000 0.400 -1.481 11 3HD2 LEU 7 3HD2 LEU 7 6.084 -1.279 -2.067 12 MD1 LEU 7 MD1 LEU 7 5.109 -2.380 0.249 13 MD2 LEU 7 MD2 LEU 7 5.643 -0.351 -2.085 14 QB LEU 7 QB LEU 7 2.895 -1.750 -1.517 15 QD LEU 7 QD LEU 7 5.376 -1.366 -0.918 16 H SER 8 H SER 8 2.627 -0.324 -3.756 17 HA SER 8 HA SER 8 0.652 0.858 -5.050 18 1HB SER 8 1HB SER 8 0.990 -1.640 -6.404 19 2HB SER 8 2HB SER 8 1.748 -0.103 -6.770 20 HG SER 8 HG SER 8 3.596 -0.872 -6.031 21 QB SER 8 QB SER 8 1.369 -0.872 -6.587 22 H LEU 9 H LEU 9 -1.472 0.295 -5.883 23 HA LEU 9 HA LEU 9 -3.196 -0.827 -4.104 24 1HB LEU 9 2HB LEU 9 -4.785 -0.938 -5.952 25 2HB LEU 9 1HB LEU 9 -3.482 -0.758 -7.111 26 HG LEU 9 HG LEU 9 -3.319 1.481 -6.809 27 1HD1 LEU 9 1HD1 LEU 9 -6.060 0.576 -6.349 28 2HD1 LEU 9 2HD1 LEU 9 -5.751 2.217 -5.733 29 3HD1 LEU 9 3HD1 LEU 9 -5.429 1.832 -7.440 30 1HD2 LEU 9 1HD2 LEU 9 -3.998 0.999 -3.907 31 2HD2 LEU 9 2HD2 LEU 9 -2.463 1.556 -4.616 32 3HD2 LEU 9 3HD2 LEU 9 -3.882 2.630 -4.610 33 MD1 LEU 9 MD1 LEU 9 -5.747 1.542 -6.507 34 MD2 LEU 9 MD2 LEU 9 -3.448 1.728 -4.378 35 QB LEU 9 QB LEU 9 -4.134 -0.848 -6.532 36 QD LEU 9 QD LEU 9 -4.597 1.635 -5.443 37 H THR 10 H THR 10 -1.192 -2.425 -6.590 38 HA THR 10 HA THR 10 -2.467 -4.908 -6.574 39 HB THR 10 HB THR 10 0.417 -4.020 -7.085 40 HG1 THR 10 HG1 THR 10 -0.497 -3.688 -9.101 41 1HG2 THR 10 1HG2 THR 10 -0.443 -6.680 -6.738 42 2HG2 THR 10 2HG2 THR 10 -0.586 -6.413 -8.492 43 3HG2 THR 10 3HG2 THR 10 0.977 -6.163 -7.679 44 MG THR 10 MG THR 10 -0.017 -6.419 -7.636 45 H GLN 11 H GLN 11 0.199 -3.625 -4.501 46 HA GLN 11 HA GLN 11 0.320 -6.070 -3.073 47 1HB GLN 11 1HB GLN 11 1.871 -3.652 -3.288 48 2HB GLN 11 2HB GLN 11 1.517 -3.911 -1.591 49 1HG GLN 11 1HG GLN 11 2.369 -6.328 -3.155 50 2HG GLN 11 2HG GLN 11 3.598 -5.111 -2.876 51 2HE2 GLN 11 1HE2 GLN 11 4.766 -6.433 -1.521 52 1HE2 GLN 11 2HE2 GLN 11 4.283 -6.814 0.098 53 QB GLN 11 QB GLN 11 1.694 -3.781 -2.439 54 QG GLN 11 QG GLN 11 2.983 -5.719 -3.015 55 QE GLN 11 QE GLN 11 4.524 -6.624 -0.711 56 H LEU 12 H LEU 12 -1.356 -2.944 -2.760 57 HA LEU 12 HA LEU 12 -1.999 -2.910 -0.116 58 1HB LEU 12 1HB LEU 12 -2.614 -1.425 -2.264 59 2HB LEU 12 2HB LEU 12 -4.149 -2.242 -2.049 60 HG LEU 12 HG LEU 12 -4.063 -0.041 -0.944 61 1HD1 LEU 12 1HD1 LEU 12 -5.528 -1.883 -0.121 62 2HD1 LEU 12 2HD1 LEU 12 -4.277 -2.281 1.082 63 3HD1 LEU 12 3HD1 LEU 12 -5.082 -0.694 1.126 64 1HD2 LEU 12 1HD2 LEU 12 -1.544 -0.398 -0.350 65 2HD2 LEU 12 2HD2 LEU 12 -2.591 0.558 0.726 66 3HD2 LEU 12 3HD2 LEU 12 -2.195 -1.128 1.137 67 MD1 LEU 12 MD1 LEU 12 -4.962 -1.620 0.695 68 MD2 LEU 12 MD2 LEU 12 -2.110 -0.322 0.504 69 QB LEU 12 QB LEU 12 -3.382 -1.833 -2.157 70 QD LEU 12 QD LEU 12 -3.536 -0.971 0.600 71 H SER 13 H SER 13 -3.521 -4.829 -2.763 72 HA SER 13 HA SER 13 -4.240 -6.826 -0.939 73 1HB SER 13 1HB SER 13 -6.240 -4.724 -1.508 74 2HB SER 13 2HB SER 13 -6.830 -6.337 -1.856 75 HG SER 13 HG SER 13 -7.290 -6.078 0.295 76 QB SER 13 QB SER 13 -6.535 -5.530 -1.682 77 H SER 14 H SER 14 -2.697 -7.173 -3.059 78 HA SER 14 HA SER 14 -2.405 -8.209 -4.943 79 1HB SER 14 1HB SER 14 -4.563 -9.564 -3.672 80 2HB SER 14 2HB SER 14 -4.997 -9.469 -5.367 81 HG SER 14 HG SER 14 -3.390 -11.246 -4.310 82 QB SER 14 QB SER 14 -4.780 -9.516 -4.519 83 H GLY 15 H GLY 15 -4.026 -5.537 -4.754 84 1HA GLY 15 1HA GLY 15 -4.606 -4.028 -6.346 85 2HA GLY 15 2HA GLY 15 -4.416 -5.251 -7.586 86 QA GLY 15 QA GLY 15 -4.511 -4.639 -6.966 87 H ASN 16 H ASN 16 -6.529 -5.023 -4.632 88 HA ASN 16 HA ASN 16 -8.694 -6.062 -6.164 89 1HB ASN 16 1HB ASN 16 -8.185 -6.537 -3.664 90 2HB ASN 16 2HB ASN 16 -8.783 -4.925 -3.325 91 2HD2 ASN 16 1HD2 ASN 16 -9.835 -7.430 -2.421 92 1HD2 ASN 16 2HD2 ASN 16 -11.465 -7.576 -2.989 93 QB ASN 16 QB ASN 16 -8.484 -5.731 -3.495 94 QD ASN 16 QD ASN 16 -10.650 -7.503 -2.705 95 HA PRO 17 HA PRO 17 -10.028 -1.942 -7.093 96 1HB PRO 17 1HB PRO 17 -12.128 -2.593 -8.715 97 2HB PRO 17 2HB PRO 17 -10.477 -2.474 -9.288 98 1HG PRO 17 1HG PRO 17 -12.087 -4.898 -8.767 99 2HG PRO 17 2HG PRO 17 -10.625 -4.734 -9.721 100 1HD PRO 17 1HD PRO 17 -10.838 -5.835 -7.080 101 2HD PRO 17 2HD PRO 17 -9.363 -5.565 -7.988 102 QB PRO 17 QB PRO 17 -11.302 -2.534 -9.002 103 QG PRO 17 QG PRO 17 -11.356 -4.816 -9.244 104 QD PRO 17 QD PRO 17 -10.101 -5.700 -7.534 105 H VAL 18 H VAL 18 -11.701 -4.329 -5.403 106 HA VAL 18 HA VAL 18 -14.153 -3.299 -4.966 107 HB VAL 18 HB VAL 18 -13.177 -5.385 -4.043 108 1HG1 VAL 18 1HG1 VAL 18 -11.095 -4.160 -3.155 109 2HG1 VAL 18 2HG1 VAL 18 -12.105 -3.727 -1.755 110 3HG1 VAL 18 3HG1 VAL 18 -11.800 -5.438 -2.137 111 1HG2 VAL 18 1HG2 VAL 18 -14.871 -3.482 -2.506 112 2HG2 VAL 18 2HG2 VAL 18 -15.229 -5.122 -3.099 113 3HG2 VAL 18 3HG2 VAL 18 -14.259 -4.901 -1.622 114 MG1 VAL 18 MG1 VAL 18 -11.667 -4.442 -2.349 115 MG2 VAL 18 MG2 VAL 18 -14.786 -4.502 -2.409 116 QG VAL 18 QG VAL 18 -13.227 -4.472 -2.379 117 H TYR 19 H TYR 19 -11.020 -2.087 -3.723 118 HA TYR 19 HA TYR 19 -12.122 -0.265 -1.880 119 1HB TYR 19 1HB TYR 19 -9.542 -0.733 -3.440 120 2HB TYR 19 2HB TYR 19 -9.701 0.780 -2.568 121 HD1 TYR 19 HD1 TYR 19 -11.020 0.044 -0.076 122 HD2 TYR 19 HD2 TYR 19 -8.034 -2.075 -2.288 123 HE1 TYR 19 HE1 TYR 19 -10.249 -1.109 2.055 124 HE2 TYR 19 HE2 TYR 19 -7.273 -3.221 -0.150 125 HH TYR 19 HH TYR 19 -8.082 -2.138 2.860 126 QB TYR 19 QB TYR 19 -9.622 0.024 -3.004 127 QD TYR 19 QD TYR 19 -9.527 -1.016 -1.182 128 QE TYR 19 QE TYR 19 -8.760 -2.165 0.952 129 QR TYR 19 QR TYR 19 -9.144 -1.590 -0.115 130 H GLU 20 H GLU 20 -11.172 -0.020 -5.354 131 HA GLU 20 HA GLU 20 -11.302 2.656 -5.663 132 1HB GLU 20 1HB GLU 20 -11.307 0.349 -7.344 133 2HB GLU 20 2HB GLU 20 -12.601 1.378 -7.925 134 1HG GLU 20 1HG GLU 20 -10.126 2.872 -7.256 135 2HG GLU 20 2HG GLU 20 -9.898 1.688 -8.528 136 HE2 GLU 20 HE2 GLU 20 -10.671 4.897 -8.419 137 QB GLU 20 QB GLU 20 -11.954 0.863 -7.634 138 QG GLU 20 QG GLU 20 -10.012 2.280 -7.892 139 H LYS 21 H LYS 21 -13.994 0.316 -5.360 140 HA LYS 21 HA LYS 21 -16.082 1.850 -6.252 141 1HB LYS 21 1HB LYS 21 -15.711 -0.578 -4.844 142 2HB LYS 21 2HB LYS 21 -16.847 0.364 -3.899 143 1HG LYS 21 1HG LYS 21 -18.219 0.759 -5.967 144 2HG LYS 21 2HG LYS 21 -17.092 -0.215 -6.890 145 1HD LYS 21 1HD LYS 21 -18.146 -1.521 -4.420 146 2HD LYS 21 2HD LYS 21 -19.349 -1.204 -5.655 147 1HE LYS 21 1HE LYS 21 -18.479 -2.769 -7.096 148 2HE LYS 21 2HE LYS 21 -16.820 -2.339 -6.727 149 QB LYS 21 QB LYS 21 -16.279 -0.107 -4.371 150 QD LYS 21 QD LYS 21 -18.747 -1.362 -5.037 151 QG LYS 21 QG LYS 21 -17.655 0.272 -6.428 152 QE LYS 21 QE LYS 21 -17.649 -2.554 -6.911 153 QZ LYS 21 QZ LYS 21 -17.559 -3.763 -4.804 154 H TYR 22 H TYR 22 -15.066 1.538 -2.772 155 HA TYR 22 HA TYR 22 -16.632 3.626 -1.858 156 1HB TYR 22 2HB TYR 22 -15.106 3.423 0.094 157 2HB TYR 22 1HB TYR 22 -13.819 2.804 -0.921 158 HD1 TYR 22 HD1 TYR 22 -17.430 1.814 -0.669 159 HD2 TYR 22 HD2 TYR 22 -13.342 0.643 -0.201 160 HE1 TYR 22 HE1 TYR 22 -18.163 -0.566 -0.156 161 HE2 TYR 22 HE2 TYR 22 -14.089 -1.733 0.310 162 HH TYR 22 HH TYR 22 -16.227 -2.778 1.277 163 QB TYR 22 QB TYR 22 -14.463 3.114 -0.413 164 QD TYR 22 QD TYR 22 -15.386 1.228 -0.435 165 QE TYR 22 QE TYR 22 -16.126 -1.150 0.077 166 QR TYR 22 QR TYR 22 -15.756 0.039 -0.179 167 H TYR 23 H TYR 23 -13.211 3.626 -3.043 168 HA TYR 23 HA TYR 23 -12.585 6.235 -2.418 169 1HB TYR 23 1HB TYR 23 -10.913 4.679 -3.260 170 2HB TYR 23 2HB TYR 23 -11.915 4.222 -4.623 171 HD1 TYR 23 HD1 TYR 23 -12.217 5.859 -6.537 172 HD2 TYR 23 HD2 TYR 23 -9.344 6.464 -3.425 173 HE1 TYR 23 HE1 TYR 23 -10.969 7.520 -8.002 174 HE2 TYR 23 HE2 TYR 23 -8.106 8.123 -4.900 175 HH TYR 23 HH TYR 23 -9.464 9.451 -7.651 176 QB TYR 23 QB TYR 23 -11.414 4.451 -3.942 177 QD TYR 23 QD TYR 23 -10.781 6.161 -4.981 178 QE TYR 23 QE TYR 23 -9.537 7.821 -6.451 179 QR TYR 23 QR TYR 23 -10.159 6.991 -5.716 180 H ARG 24 H ARG 24 -14.669 4.936 -4.982 181 HA ARG 24 HA ARG 24 -14.624 7.425 -6.386 182 1HB ARG 24 1HB ARG 24 -14.900 5.014 -7.388 183 2HB ARG 24 2HB ARG 24 -16.569 5.130 -6.868 184 1HG ARG 24 1HG ARG 24 -16.644 5.925 -9.097 185 2HG ARG 24 2HG ARG 24 -16.633 7.399 -8.148 186 1HD ARG 24 1HD ARG 24 -14.529 8.010 -8.868 187 2HD ARG 24 2HD ARG 24 -13.919 6.368 -8.819 188 HE ARG 24 HE ARG 24 -15.698 6.314 -10.944 189 1HH1 ARG 24 1HH1 ARG 24 -12.922 8.361 -10.132 190 2HH1 ARG 24 2HH1 ARG 24 -12.519 8.684 -11.786 191 2HH2 ARG 24 HH2 ARG 24 -13.853 7.721 -13.528 192 QB ARG 24 QB ARG 24 -15.734 5.072 -7.128 193 QG ARG 24 QG ARG 24 -16.638 6.662 -8.623 194 QD ARG 24 QD ARG 24 -14.224 7.189 -8.844 195 QH1 ARG 24 QH1 ARG 24 -12.721 8.522 -10.959 196 H GLN 25 H GLN 25 -16.422 5.848 -3.830 197 HA GLN 25 HA GLN 25 -18.880 7.109 -4.233 198 1HB GLN 25 1HB GLN 25 -17.535 5.611 -2.012 199 2HB GLN 25 2HB GLN 25 -18.892 6.623 -1.558 200 1HG GLN 25 1HG GLN 25 -19.592 5.176 -3.971 201 2HG GLN 25 2HG GLN 25 -18.955 4.034 -2.804 202 2HE2 GLN 25 1HE2 GLN 25 -19.748 4.395 -0.502 203 1HE2 GLN 25 2HE2 GLN 25 -21.445 4.673 -0.288 204 QB GLN 25 QB GLN 25 -18.214 6.117 -1.785 205 QG GLN 25 QG GLN 25 -19.273 4.605 -3.388 206 QE GLN 25 QE GLN 25 -20.597 4.534 -0.395 207 H VAL 26 H VAL 26 -15.820 8.098 -2.726 208 HA VAL 26 HA VAL 26 -17.059 10.416 -1.506 209 HB VAL 26 HB VAL 26 -15.125 10.648 -0.322 210 1HG1 VAL 26 1HG1 VAL 26 -16.135 8.349 -0.008 211 2HG1 VAL 26 2HG1 VAL 26 -14.841 7.721 -1.057 212 3HG1 VAL 26 3HG1 VAL 26 -14.432 8.511 0.484 213 1HG2 VAL 26 1HG2 VAL 26 -13.749 9.600 -2.780 214 2HG2 VAL 26 2HG2 VAL 26 -13.459 11.099 -1.864 215 3HG2 VAL 26 3HG2 VAL 26 -12.916 9.535 -1.209 216 MG1 VAL 26 MG1 VAL 26 -15.136 8.194 -0.194 217 MG2 VAL 26 MG2 VAL 26 -13.375 10.078 -1.951 218 QG VAL 26 QG VAL 26 -14.255 9.136 -1.072 219 H GLU 27 H GLU 27 -15.214 9.453 -4.384 220 HA GLU 27 HA GLU 27 -14.159 11.814 -5.155 221 1HB GLU 27 1HB GLU 27 -13.821 9.691 -6.358 222 2HB GLU 27 2HB GLU 27 -15.491 9.686 -6.887 223 1HG GLU 27 1HG GLU 27 -14.193 12.225 -7.573 224 2HG GLU 27 2HG GLU 27 -13.286 10.871 -8.217 225 HE2 GLU 27 HE2 GLU 27 -16.840 11.968 -9.498 226 QB GLU 27 QB GLU 27 -14.656 9.689 -6.622 227 QG GLU 27 QG GLU 27 -13.740 11.548 -7.895 228 H ALA 28 H ALA 28 -14.861 13.641 -6.390 229 HA ALA 28 HA ALA 28 -17.727 13.822 -6.900 230 1HB ALA 28 2HB ALA 28 -16.878 16.328 -5.824 231 2HB ALA 28 1HB ALA 28 -16.375 15.059 -4.681 232 3HB ALA 28 3HB ALA 28 -18.083 15.197 -5.162 233 MB ALA 28 MB ALA 28 -17.112 15.528 -5.222 234 H GLY 29 H GLY 29 -18.169 15.935 -8.194 235 1HA GLY 29 1HA GLY 29 -17.768 17.190 -10.014 236 2HA GLY 29 2HA GLY 29 -16.090 17.273 -9.517 237 QA GLY 29 QA GLY 29 -16.929 17.232 -9.765 238 H ASN 30 H ASN 30 -16.509 17.215 -12.202 239 HA ASN 30 HA ASN 30 -16.409 14.467 -13.048 240 1HB ASN 30 1HB ASN 30 -16.683 17.160 -14.386 241 2HB ASN 30 2HB ASN 30 -15.986 15.869 -15.344 242 2HD2 ASN 30 1HD2 ASN 30 -17.305 14.605 -16.406 243 1HD2 ASN 30 2HD2 ASN 30 -18.988 14.343 -16.091 244 QB ASN 30 QB ASN 30 -16.334 16.514 -14.865 245 QD ASN 30 QD ASN 30 -18.146 14.474 -16.249 246 H THR 31 H THR 31 -14.242 15.903 -11.386 247 HA THR 31 HA THR 31 -12.038 16.316 -13.164 248 HB THR 31 HB THR 31 -12.178 17.577 -11.082 249 HG1 THR 31 HG1 THR 31 -10.332 15.329 -10.724 250 1HG2 THR 31 1HG2 THR 31 -12.917 14.935 -9.969 251 2HG2 THR 31 2HG2 THR 31 -11.628 15.735 -9.038 252 3HG2 THR 31 3HG2 THR 31 -13.186 16.558 -9.288 253 MG THR 31 MG THR 31 -12.577 15.743 -9.432 254 H GLY 32 H GLY 32 -13.419 13.576 -11.396 255 1HA GLY 32 1HA GLY 32 -12.995 11.369 -11.832 256 2HA GLY 32 2HA GLY 32 -11.604 11.807 -12.804 257 QA GLY 32 QA GLY 32 -12.299 11.588 -12.318 258 H ARG 33 H ARG 33 -11.540 13.558 -9.865 259 HA ARG 33 HA ARG 33 -9.874 11.487 -8.677 260 1HB ARG 33 1HB ARG 33 -9.374 14.446 -9.069 261 2HB ARG 33 2HB ARG 33 -8.697 13.677 -7.647 262 1HG ARG 33 1HG ARG 33 -7.634 11.936 -9.152 263 2HG ARG 33 2HG ARG 33 -8.232 12.820 -10.543 264 1HD ARG 33 1HD ARG 33 -6.899 14.719 -8.835 265 2HD ARG 33 2HD ARG 33 -5.847 13.326 -8.983 266 HE ARG 33 HE ARG 33 -6.999 14.216 -11.535 267 1HH1 ARG 33 1HH1 ARG 33 -4.288 14.574 -9.281 268 2HH1 ARG 33 2HH1 ARG 33 -3.207 15.192 -10.485 269 2HH2 ARG 33 HH2 ARG 33 -3.984 15.452 -12.738 270 QB ARG 33 QB ARG 33 -9.036 14.062 -8.358 271 QG ARG 33 QG ARG 33 -7.933 12.378 -9.847 272 QD ARG 33 QD ARG 33 -6.373 14.023 -8.909 273 QH1 ARG 33 QH1 ARG 33 -3.748 14.883 -9.883 274 H VAL 34 H VAL 34 -9.474 12.111 -6.181 275 HA VAL 34 HA VAL 34 -12.120 12.446 -5.072 276 HB VAL 34 HB VAL 34 -9.430 11.729 -3.898 277 1HG1 VAL 34 1HG1 VAL 34 -12.047 12.341 -2.599 278 2HG1 VAL 34 2HG1 VAL 34 -11.119 10.957 -1.973 279 3HG1 VAL 34 3HG1 VAL 34 -10.387 12.579 -2.005 280 1HG2 VAL 34 1HG2 VAL 34 -10.876 10.151 -5.462 281 2HG2 VAL 34 2HG2 VAL 34 -10.053 9.519 -4.016 282 3HG2 VAL 34 3HG2 VAL 34 -11.794 9.889 -3.959 283 MG1 VAL 34 MG1 VAL 34 -11.184 11.959 -2.192 284 MG2 VAL 34 MG2 VAL 34 -10.908 9.853 -4.479 285 QG VAL 34 QG VAL 34 -11.046 10.906 -3.336 286 H LEU 35 H LEU 35 -12.913 14.388 -4.470 287 HA LEU 35 HA LEU 35 -11.339 16.704 -4.564 288 1HB LEU 35 1HB LEU 35 -14.093 15.968 -4.179 289 2HB LEU 35 2HB LEU 35 -13.642 17.191 -3.008 290 HG LEU 35 HG LEU 35 -13.317 17.422 -6.013 291 1HD1 LEU 35 1HD1 LEU 35 -15.555 17.956 -4.232 292 2HD1 LEU 35 2HD1 LEU 35 -15.050 19.407 -5.130 293 3HD1 LEU 35 3HD1 LEU 35 -15.485 17.923 -6.010 294 1HD2 LEU 35 1HD2 LEU 35 -11.908 18.761 -4.003 295 2HD2 LEU 35 2HD2 LEU 35 -12.035 19.212 -5.720 296 3HD2 LEU 35 3HD2 LEU 35 -13.163 19.907 -4.532 297 MD1 LEU 35 MD1 LEU 35 -15.363 18.429 -5.124 298 MD2 LEU 35 MD2 LEU 35 -12.368 19.293 -4.752 299 QB LEU 35 QB LEU 35 -13.868 16.579 -3.593 300 QD LEU 35 QD LEU 35 -13.866 18.861 -4.938 301 H ALA 36 H ALA 36 -11.460 14.190 -2.269 302 HA ALA 36 HA ALA 36 -10.300 13.976 -0.372 303 1HB ALA 36 2HB ALA 36 -9.808 16.957 -0.224 304 2HB ALA 36 1HB ALA 36 -8.900 15.937 -1.366 305 3HB ALA 36 3HB ALA 36 -8.799 15.622 0.383 306 MB ALA 36 MB ALA 36 -9.169 16.172 -0.403 307 H LEU 37 H LEU 37 -12.139 17.114 -0.420 308 HA LEU 37 HA LEU 37 -12.934 17.200 2.161 309 1HB LEU 37 1HB LEU 37 -14.160 18.059 -0.419 310 2HB LEU 37 2HB LEU 37 -15.133 18.160 1.035 311 HG LEU 37 HG LEU 37 -13.909 20.260 0.369 312 1HD1 LEU 37 1HD1 LEU 37 -14.275 19.079 2.956 313 2HD1 LEU 37 2HD1 LEU 37 -12.807 20.086 2.971 314 3HD1 LEU 37 3HD1 LEU 37 -14.364 20.790 2.472 315 1HD2 LEU 37 1HD2 LEU 37 -11.516 18.580 1.133 316 2HD2 LEU 37 2HD2 LEU 37 -11.810 19.474 -0.377 317 3HD2 LEU 37 3HD2 LEU 37 -11.492 20.360 1.134 318 MD1 LEU 37 MD1 LEU 37 -13.816 19.985 2.800 319 MD2 LEU 37 MD2 LEU 37 -11.606 19.471 0.630 320 QB LEU 37 QB LEU 37 -14.647 18.110 0.308 321 QD LEU 37 QD LEU 37 -12.711 19.728 1.715 322 H ASP 38 H ASP 38 -14.541 15.364 -0.521 323 HA ASP 38 HA ASP 38 -16.534 14.339 1.120 324 1HB ASP 38 1HB ASP 38 -15.437 13.828 -1.600 325 2HB ASP 38 2HB ASP 38 -16.206 12.433 -0.871 326 HD2 ASP 38 HD2 ASP 38 -18.157 15.483 -0.211 327 QB ASP 38 QB ASP 38 -15.821 13.130 -1.236 328 H ALA 39 H ALA 39 -13.219 13.288 0.202 329 HA ALA 39 HA ALA 39 -13.248 10.669 0.992 330 1HB ALA 39 3HB ALA 39 -10.874 10.868 1.095 331 2HB ALA 39 2HB ALA 39 -10.961 12.594 1.521 332 3HB ALA 39 1HB ALA 39 -11.402 12.059 -0.118 333 MB ALA 39 MB ALA 39 -11.079 11.840 0.833 334 H ALA 40 H ALA 40 -12.742 13.640 2.999 335 HA ALA 40 HA ALA 40 -12.302 12.241 5.393 336 1HB ALA 40 1HB ALA 40 -12.665 14.997 4.459 337 2HB ALA 40 3HB ALA 40 -11.660 14.368 5.786 338 3HB ALA 40 2HB ALA 40 -13.381 14.724 6.066 339 MB ALA 40 MB ALA 40 -12.568 14.697 5.437 340 H ALA 41 H ALA 41 -15.205 13.139 3.565 341 HA ALA 41 HA ALA 41 -17.046 12.944 5.669 342 1HB ALA 41 3HB ALA 41 -18.667 13.071 3.969 343 2HB ALA 41 2HB ALA 41 -17.637 12.221 2.792 344 3HB ALA 41 1HB ALA 41 -17.262 13.898 3.254 345 MB ALA 41 MB ALA 41 -17.855 13.063 3.338 346 H PHE 42 H PHE 42 -16.208 10.547 3.058 347 HA PHE 42 HA PHE 42 -17.635 8.469 4.290 348 1HB PHE 42 1HB PHE 42 -17.081 8.433 1.905 349 2HB PHE 42 2HB PHE 42 -15.385 8.737 2.227 350 HD1 PHE 42 HD1 PHE 42 -18.042 6.177 2.659 351 HD2 PHE 42 HD2 PHE 42 -13.878 6.958 2.417 352 HE1 PHE 42 HE1 PHE 42 -17.583 3.710 2.582 353 HE2 PHE 42 HE2 PHE 42 -13.419 4.491 2.340 354 HZ PHE 42 HZ PHE 42 -15.278 2.897 2.423 355 QB PHE 42 QB PHE 42 -16.233 8.585 2.066 356 QD PHE 42 QD PHE 42 -15.959 6.567 2.538 357 QE PHE 42 QE PHE 42 -15.501 4.101 2.461 358 QR PHE 42 QR PHE 42 -15.730 5.334 2.499 359 H LEU 43 H LEU 43 -14.097 9.277 4.179 360 HA LEU 43 HA LEU 43 -13.145 7.118 5.554 361 1HB LEU 43 1HB LEU 43 -12.253 9.995 5.480 362 2HB LEU 43 2HB LEU 43 -11.348 8.752 6.320 363 HG LEU 43 HG LEU 43 -12.025 8.670 3.368 364 1HD1 LEU 43 1HD1 LEU 43 -10.412 10.522 4.320 365 2HD1 LEU 43 2HD1 LEU 43 -9.255 9.172 4.382 366 3HD1 LEU 43 3HD1 LEU 43 -10.011 9.626 2.836 367 1HD2 LEU 43 1HD2 LEU 43 -10.672 6.799 5.232 368 2HD2 LEU 43 2HD2 LEU 43 -11.606 6.482 3.751 369 3HD2 LEU 43 3HD2 LEU 43 -9.916 7.028 3.637 370 MD1 LEU 43 MD1 LEU 43 -9.893 9.773 3.846 371 MD2 LEU 43 MD2 LEU 43 -10.731 6.770 4.207 372 QB LEU 43 QB LEU 43 -11.801 9.374 5.900 373 QD LEU 43 QD LEU 43 -10.312 8.272 4.026 374 H LYS 44 H LYS 44 -14.554 10.177 6.862 375 HA LYS 44 HA LYS 44 -14.071 9.692 9.530 376 1HB LYS 44 1HB LYS 44 -16.106 11.273 7.997 377 2HB LYS 44 2HB LYS 44 -16.316 11.081 9.726 378 1HG LYS 44 1HG LYS 44 -13.533 11.761 8.957 379 2HG LYS 44 2HG LYS 44 -14.696 12.988 8.492 380 1HD LYS 44 1HD LYS 44 -15.527 12.351 11.074 381 2HD LYS 44 2HD LYS 44 -13.787 12.180 11.199 382 1HE LYS 44 2HE LYS 44 -14.265 14.568 9.683 383 2HE LYS 44 1HE LYS 44 -13.565 14.434 11.284 384 QB LYS 44 QB LYS 44 -16.211 11.177 8.862 385 QD LYS 44 QD LYS 44 -14.657 12.265 11.137 386 QG LYS 44 QG LYS 44 -14.115 12.374 8.724 387 QE LYS 44 QE LYS 44 -13.915 14.501 10.483 388 QZ LYS 44 QZ LYS 44 -15.985 15.241 11.054 389 H LYS 45 H LYS 45 -16.211 8.066 7.290 390 HA LYS 45 HA LYS 45 -17.954 7.041 9.312 391 1HB LYS 45 2HB LYS 45 -18.987 5.828 7.529 392 2HB LYS 45 1HB LYS 45 -17.594 6.024 6.485 393 1HG LYS 45 1HG LYS 45 -19.122 8.424 7.571 394 2HG LYS 45 2HG LYS 45 -17.976 8.398 6.246 395 1HD LYS 45 1HD LYS 45 -19.555 6.901 4.958 396 2HD LYS 45 2HD LYS 45 -20.713 7.041 6.265 397 1HE LYS 45 1HE LYS 45 -19.626 9.614 5.154 398 2HE LYS 45 2HE LYS 45 -20.709 8.708 4.116 399 QB LYS 45 QB LYS 45 -18.290 5.926 7.007 400 QD LYS 45 QD LYS 45 -20.134 6.971 5.612 401 QG LYS 45 QG LYS 45 -18.549 8.411 6.908 402 QE LYS 45 QE LYS 45 -20.168 9.161 4.635 403 QZ LYS 45 QZ LYS 45 -22.100 9.087 6.055 404 H SER 46 H SER 46 -14.721 6.569 8.734 405 HA SER 46 HA SER 46 -14.471 3.827 8.644 406 1HB SER 46 2HB SER 46 -12.608 5.410 8.255 407 2HB SER 46 1HB SER 46 -12.175 4.205 9.451 408 HG SER 46 HG SER 46 -12.687 6.992 9.785 409 QB SER 46 QB SER 46 -12.391 4.807 8.853 410 H GLY 47 H GLY 47 -13.881 5.927 11.564 411 1HA GLY 47 1HA GLY 47 -15.594 4.968 13.374 412 2HA GLY 47 2HA GLY 47 -14.422 3.666 13.307 413 QA GLY 47 QA GLY 47 -15.008 4.317 13.341 414 H LEU 48 H LEU 48 -12.247 5.739 12.528 415 HA LEU 48 HA LEU 48 -11.405 6.222 15.204 416 1HB LEU 48 1HB LEU 48 -10.281 6.838 12.482 417 2HB LEU 48 2HB LEU 48 -9.517 7.420 13.948 418 HG LEU 48 HG LEU 48 -10.091 4.489 13.479 419 1HD1 LEU 48 1HD1 LEU 48 -8.685 5.375 11.643 420 2HD1 LEU 48 2HD1 LEU 48 -7.507 5.942 12.851 421 3HD1 LEU 48 3HD1 LEU 48 -7.833 4.201 12.675 422 1HD2 LEU 48 1HD2 LEU 48 -9.131 5.978 15.705 423 2HD2 LEU 48 2HD2 LEU 48 -9.315 4.216 15.536 424 3HD2 LEU 48 3HD2 LEU 48 -7.783 4.999 15.078 425 MD1 LEU 48 MD1 LEU 48 -8.009 5.173 12.390 426 MD2 LEU 48 MD2 LEU 48 -8.743 5.064 15.440 427 QB LEU 48 QB LEU 48 -9.899 7.129 13.215 428 QD LEU 48 QD LEU 48 -8.376 5.118 13.915 429 HA PRO 49 HA PRO 49 -12.827 10.264 15.706 430 1HB PRO 49 1HB PRO 49 -10.893 11.419 17.253 431 2HB PRO 49 2HB PRO 49 -12.120 10.345 17.896 432 1HG PRO 49 1HG PRO 49 -9.259 9.798 17.389 433 2HG PRO 49 2HG PRO 49 -10.383 8.914 18.401 434 1HD PRO 49 1HD PRO 49 -9.457 8.154 15.795 435 2HD PRO 49 2HD PRO 49 -10.668 7.331 16.758 436 QB PRO 49 QB PRO 49 -11.506 10.882 17.575 437 QG PRO 49 QG PRO 49 -9.821 9.356 17.895 438 QD PRO 49 QD PRO 49 -10.063 7.743 16.276 439 H ASP 50 H ASP 50 -11.775 12.754 15.909 440 HA ASP 50 HA ASP 50 -11.043 13.096 13.166 441 1HB ASP 50 1HB ASP 50 -12.598 14.711 13.954 442 2HB ASP 50 2HB ASP 50 -11.756 14.921 15.476 443 HD2 ASP 50 HD2 ASP 50 -11.554 15.688 12.109 444 QB ASP 50 QB ASP 50 -12.177 14.816 14.715 445 H LEU 51 H LEU 51 -9.669 13.375 16.472 446 HA LEU 51 HA LEU 51 -7.362 14.798 15.842 447 1HB LEU 51 1HB LEU 51 -7.489 14.761 18.053 448 2HB LEU 51 2HB LEU 51 -8.459 13.302 18.072 449 HG LEU 51 HG LEU 51 -6.501 11.901 18.003 450 1HD1 LEU 51 1HD1 LEU 51 -5.261 14.145 16.808 451 2HD1 LEU 51 2HD1 LEU 51 -4.373 13.799 18.311 452 3HD1 LEU 51 3HD1 LEU 51 -4.582 12.524 17.087 453 1HD2 LEU 51 1HD2 LEU 51 -6.709 14.034 20.065 454 2HD2 LEU 51 2HD2 LEU 51 -6.843 12.265 20.215 455 3HD2 LEU 51 3HD2 LEU 51 -5.241 13.028 20.077 456 MD1 LEU 51 MD1 LEU 51 -4.739 13.490 17.402 457 MD2 LEU 51 MD2 LEU 51 -6.264 13.109 20.119 458 QB LEU 51 QB LEU 51 -7.974 14.032 18.062 459 QD LEU 51 QD LEU 51 -5.502 13.299 18.760 460 H ILE 52 H ILE 52 -7.611 11.223 16.465 461 HA ILE 52 HA ILE 52 -5.122 10.602 15.483 462 HB ILE 52 HB ILE 52 -7.661 8.968 15.515 463 1HG1 ILE 52 1HG1 ILE 52 -6.757 9.977 17.691 464 2HG1 ILE 52 2HG1 ILE 52 -7.077 8.254 17.657 465 1HG2 ILE 52 1HG2 ILE 52 -5.010 8.361 14.474 466 2HG2 ILE 52 2HG2 ILE 52 -5.502 7.241 15.768 467 3HG2 ILE 52 3HG2 ILE 52 -6.535 7.454 14.334 468 1HD1 ILE 52 1HD1 ILE 52 -4.336 8.940 16.771 469 2HD1 ILE 52 2HD1 ILE 52 -4.688 9.413 18.451 470 3HD1 ILE 52 3HD1 ILE 52 -4.879 7.717 17.945 471 MG ILE 52 MG ILE 52 -5.682 7.685 14.859 472 MD ILE 52 MD ILE 52 -4.634 8.690 17.722 473 QG ILE 52 QG ILE 52 -6.917 9.116 17.674 474 H LEU 53 H LEU 53 -8.217 11.142 13.764 475 HA LEU 53 HA LEU 53 -7.411 10.127 11.294 476 1HB LEU 53 1HB LEU 53 -9.534 11.934 12.315 477 2HB LEU 53 2HB LEU 53 -9.189 12.009 10.598 478 HG LEU 53 HG LEU 53 -9.890 9.466 12.091 479 1HD1 LEU 53 1HD1 LEU 53 -11.582 11.618 11.309 480 2HD1 LEU 53 2HD1 LEU 53 -11.914 10.237 10.236 481 3HD1 LEU 53 3HD1 LEU 53 -12.027 10.040 12.002 482 1HD2 LEU 53 1HD2 LEU 53 -9.057 10.060 9.316 483 2HD2 LEU 53 2HD2 LEU 53 -8.915 8.566 10.272 484 3HD2 LEU 53 3HD2 LEU 53 -10.459 8.978 9.489 485 MD1 LEU 53 MD1 LEU 53 -11.841 10.632 11.182 486 MD2 LEU 53 MD2 LEU 53 -9.477 9.201 9.693 487 QB LEU 53 QB LEU 53 -9.361 11.971 11.457 488 QD LEU 53 QD LEU 53 -10.659 9.916 10.437 489 H GLY 54 H GLY 54 -7.297 13.495 12.638 490 1HA GLY 54 1HA GLY 54 -6.329 14.928 10.591 491 2HA GLY 54 2HA GLY 54 -5.770 15.124 12.241 492 QA GLY 54 QA GLY 54 -6.050 15.026 11.416 493 H LYS 55 H LYS 55 -4.389 12.673 12.667 494 HA LYS 55 HA LYS 55 -1.935 13.275 11.463 495 1HB LYS 55 1HB LYS 55 -3.013 11.135 13.244 496 2HB LYS 55 2HB LYS 55 -1.504 10.810 12.415 497 1HG LYS 55 1HG LYS 55 -1.470 13.525 13.480 498 2HG LYS 55 2HG LYS 55 -1.895 12.399 14.754 499 1HD LYS 55 1HD LYS 55 0.164 11.024 13.555 500 2HD LYS 55 2HD LYS 55 0.666 12.673 13.240 501 1HE LYS 55 1HE LYS 55 -0.182 12.725 15.933 502 2HE LYS 55 2HE LYS 55 0.646 11.188 15.780 503 QB LYS 55 QB LYS 55 -2.258 10.972 12.830 504 QD LYS 55 QD LYS 55 0.415 11.849 13.398 505 QG LYS 55 QG LYS 55 -1.683 12.962 14.117 506 QE LYS 55 QE LYS 55 0.232 11.956 15.857 507 QZ LYS 55 QZ LYS 55 2.013 13.398 15.116 508 H ILE 56 H ILE 56 -4.459 10.789 10.775 509 HA ILE 56 HA ILE 56 -3.079 9.369 8.861 510 HB ILE 56 HB ILE 56 -6.017 9.979 9.163 511 1HG1 ILE 56 1HG1 ILE 56 -4.262 7.676 10.048 512 2HG1 ILE 56 2HG1 ILE 56 -5.125 8.812 11.065 513 1HG2 ILE 56 1HG2 ILE 56 -5.321 9.320 6.812 514 2HG2 ILE 56 2HG2 ILE 56 -4.848 7.747 7.497 515 3HG2 ILE 56 3HG2 ILE 56 -6.540 8.291 7.600 516 1HD1 ILE 56 1HD1 ILE 56 -7.189 7.850 9.508 517 2HD1 ILE 56 2HD1 ILE 56 -6.135 6.420 9.623 518 3HD1 ILE 56 3HD1 ILE 56 -6.745 7.197 11.103 519 MG ILE 56 MG ILE 56 -5.570 8.453 7.303 520 MD ILE 56 MD ILE 56 -6.690 7.156 10.078 521 QG ILE 56 QG ILE 56 -4.694 8.244 10.556 522 H TRP 57 H TRP 57 -5.295 12.211 8.390 523 HA TRP 57 HA TRP 57 -4.954 12.429 5.661 524 1HB TRP 57 1HB TRP 57 -6.608 13.608 7.171 525 2HB TRP 57 2HB TRP 57 -5.329 14.739 7.567 526 HD1 TRP 57 HD1 TRP 57 -4.216 15.980 5.171 527 HE1 TRP 57 HE1 TRP 57 -5.475 17.018 3.097 528 HE3 TRP 57 HE3 TRP 57 -8.576 13.465 5.894 529 HZ2 TRP 57 HZ2 TRP 57 -8.094 16.678 2.016 530 HZ3 TRP 57 HZ3 TRP 57 -10.434 13.875 4.284 531 HH2 TRP 57 HH2 TRP 57 -10.245 15.418 2.397 532 QB TRP 57 QB TRP 57 -5.968 14.173 7.369 533 H ASP 58 H ASP 58 -3.201 14.169 8.339 534 HA ASP 58 HA ASP 58 -1.472 15.586 6.889 535 1HB ASP 58 1HB ASP 58 -1.734 15.142 9.505 536 2HB ASP 58 2HB ASP 58 -0.420 14.011 9.252 537 HD2 ASP 58 HD2 ASP 58 -1.080 17.491 9.210 538 QB ASP 58 QB ASP 58 -1.077 14.576 9.379 539 H LEU 59 H LEU 59 -1.329 12.080 7.737 540 HA LEU 59 HA LEU 59 1.246 11.708 6.557 541 1HB LEU 59 1HB LEU 59 0.613 10.353 8.410 542 2HB LEU 59 2HB LEU 59 -0.866 9.840 7.622 543 HG LEU 59 HG LEU 59 1.084 8.184 7.733 544 1HD1 LEU 59 1HD1 LEU 59 -0.950 8.611 5.819 545 2HD1 LEU 59 2HD1 LEU 59 0.503 8.108 4.922 546 3HD1 LEU 59 3HD1 LEU 59 -0.129 7.088 6.236 547 1HD2 LEU 59 1HD2 LEU 59 2.158 10.150 5.721 548 2HD2 LEU 59 2HD2 LEU 59 2.974 9.393 7.110 549 3HD2 LEU 59 3HD2 LEU 59 2.604 8.428 5.661 550 MD1 LEU 59 MD1 LEU 59 -0.192 7.936 5.659 551 MD2 LEU 59 MD2 LEU 59 2.578 9.324 6.164 552 QB LEU 59 QB LEU 59 -0.127 10.096 8.016 553 QD LEU 59 QD LEU 59 1.193 8.630 5.912 554 H ALA 60 H ALA 60 -2.154 11.548 5.534 555 HA ALA 60 HA ALA 60 -1.693 10.060 3.183 556 1HB ALA 60 3HB ALA 60 -3.941 10.169 3.086 557 2HB ALA 60 2HB ALA 60 -3.921 11.949 3.058 558 3HB ALA 60 1HB ALA 60 -3.875 11.082 4.612 559 MB ALA 60 MB ALA 60 -3.912 11.067 3.586 560 H ASP 61 H ASP 61 -2.330 13.613 3.666 561 HA ASP 61 HA ASP 61 -2.004 14.522 1.230 562 1HB ASP 61 1HB ASP 61 -2.343 16.080 3.020 563 2HB ASP 61 2HB ASP 61 -0.881 15.580 3.846 564 HD2 ASP 61 HD2 ASP 61 1.004 16.967 3.281 565 QB ASP 61 QB ASP 61 -1.612 15.830 3.433 566 H THR 62 H THR 62 -0.388 14.495 -0.358 567 HA THR 62 HA THR 62 2.346 14.738 0.186 568 HB THR 62 HB THR 62 1.185 11.953 0.120 569 HG1 THR 62 HG1 THR 62 3.627 13.216 1.143 570 1HG2 THR 62 1HG2 THR 62 3.906 12.769 -1.026 571 2HG2 THR 62 2HG2 THR 62 3.489 11.112 -0.530 572 3HG2 THR 62 3HG2 THR 62 2.624 11.880 -1.883 573 MG THR 62 MG THR 62 3.340 11.920 -1.146 574 H ASP 63 H ASP 63 -0.018 13.130 -2.039 575 HA ASP 63 HA ASP 63 1.523 13.735 -4.293 576 1HB ASP 63 1HB ASP 63 -0.690 12.165 -3.742 577 2HB ASP 63 2HB ASP 63 -1.427 13.478 -4.639 578 HD2 ASP 63 HD2 ASP 63 -0.857 10.771 -6.582 579 QB ASP 63 QB ASP 63 -1.059 12.821 -4.191 580 H GLY 64 H GLY 64 -1.733 14.975 -3.187 581 1HA GLY 64 1HA GLY 64 -1.159 17.511 -4.591 582 2HA GLY 64 2HA GLY 64 -2.751 16.832 -4.320 583 QA GLY 64 QA GLY 64 -1.955 17.171 -4.455 584 H LYS 65 H LYS 65 -3.826 18.164 -2.917 585 HA LYS 65 HA LYS 65 -2.733 18.477 -0.281 586 1HB LYS 65 1HB LYS 65 -2.982 20.978 -0.323 587 2HB LYS 65 2HB LYS 65 -1.612 20.347 -1.214 588 1HG LYS 65 2HG LYS 65 -3.508 20.340 -3.198 589 2HG LYS 65 1HG LYS 65 -2.396 21.665 -2.914 590 1HD LYS 65 2HD LYS 65 -5.028 21.544 -1.406 591 2HD LYS 65 1HD LYS 65 -4.988 22.152 -3.049 592 1HE LYS 65 1HE LYS 65 -3.009 23.232 -1.024 593 2HE LYS 65 2HE LYS 65 -3.612 23.999 -2.479 594 QB LYS 65 QB LYS 65 -2.297 20.663 -0.768 595 QD LYS 65 QD LYS 65 -5.008 21.848 -2.228 596 QG LYS 65 QG LYS 65 -2.952 21.002 -3.056 597 QE LYS 65 QE LYS 65 -3.310 23.616 -1.752 598 QZ LYS 65 QZ LYS 65 -5.539 24.120 -0.990 599 H GLY 66 H GLY 66 -5.252 19.520 -2.668 600 1HA GLY 66 1HA GLY 66 -7.260 19.201 -0.525 601 2HA GLY 66 2HA GLY 66 -7.417 20.236 -1.930 602 QA GLY 66 QA GLY 66 -7.338 19.718 -1.227 603 H VAL 67 H VAL 67 -5.838 17.250 -2.677 604 HA VAL 67 HA VAL 67 -8.349 15.909 -3.285 605 HB VAL 67 HB VAL 67 -6.217 16.472 -5.354 606 1HG1 VAL 67 1HG1 VAL 67 -7.811 14.303 -5.293 607 2HG1 VAL 67 2HG1 VAL 67 -8.911 15.448 -6.097 608 3HG1 VAL 67 3HG1 VAL 67 -7.314 15.103 -6.803 609 1HG2 VAL 67 1HG2 VAL 67 -8.799 17.837 -4.694 610 2HG2 VAL 67 2HG2 VAL 67 -7.258 18.518 -5.267 611 3HG2 VAL 67 3HG2 VAL 67 -8.336 17.674 -6.405 612 MG1 VAL 67 MG1 VAL 67 -8.012 14.951 -6.065 613 MG2 VAL 67 MG2 VAL 67 -8.131 18.010 -5.455 614 QG VAL 67 QG VAL 67 -8.072 16.480 -5.760 615 H LEU 68 H LEU 68 -8.141 13.623 -3.409 616 HA LEU 68 HA LEU 68 -5.586 12.686 -2.333 617 1HB LEU 68 1HB LEU 68 -8.260 11.286 -2.348 618 2HB LEU 68 2HB LEU 68 -6.809 10.791 -1.499 619 HG LEU 68 HG LEU 68 -8.544 13.201 -0.911 620 1HD1 LEU 68 1HD1 LEU 68 -9.335 10.947 -0.156 621 2HD1 LEU 68 2HD1 LEU 68 -7.870 10.832 0.848 622 3HD1 LEU 68 3HD1 LEU 68 -9.060 12.119 1.155 623 1HD2 LEU 68 1HD2 LEU 68 -5.746 12.589 -0.103 624 2HD2 LEU 68 2HD2 LEU 68 -6.563 14.152 -0.343 625 3HD2 LEU 68 3HD2 LEU 68 -6.842 13.222 1.148 626 MD1 LEU 68 MD1 LEU 68 -8.755 11.299 0.615 627 MD2 LEU 68 MD2 LEU 68 -6.384 13.321 0.234 628 QB LEU 68 QB LEU 68 -7.535 11.039 -1.924 629 QD LEU 68 QD LEU 68 -7.569 12.310 0.425 630 H SER 69 H SER 69 -5.791 9.966 -3.026 631 HA SER 69 HA SER 69 -6.222 9.826 -5.839 632 1HB SER 69 2HB SER 69 -4.016 9.543 -6.584 633 2HB SER 69 1HB SER 69 -3.418 9.107 -4.995 634 HG SER 69 HG SER 69 -3.632 11.322 -4.331 635 QB SER 69 QB SER 69 -3.717 9.325 -5.789 636 H LYS 70 H LYS 70 -5.321 7.469 -6.587 637 HA LYS 70 HA LYS 70 -6.769 5.588 -5.268 638 1HB LYS 70 1HB LYS 70 -5.049 3.970 -6.395 639 2HB LYS 70 2HB LYS 70 -6.118 4.953 -7.376 640 1HG LYS 70 1HG LYS 70 -3.624 6.371 -6.667 641 2HG LYS 70 2HG LYS 70 -3.319 4.887 -7.547 642 1HD LYS 70 1HD LYS 70 -4.738 5.586 -9.396 643 2HD LYS 70 2HD LYS 70 -5.364 6.946 -8.484 644 1HE LYS 70 1HE LYS 70 -3.501 8.248 -8.877 645 2HE LYS 70 2HE LYS 70 -2.393 6.898 -8.734 646 QB LYS 70 QB LYS 70 -5.583 4.462 -6.886 647 QD LYS 70 QD LYS 70 -5.051 6.266 -8.940 648 QG LYS 70 QG LYS 70 -3.472 5.629 -7.107 649 QE LYS 70 QE LYS 70 -2.947 7.573 -8.806 650 QZ LYS 70 QZ LYS 70 -3.491 7.494 -11.068 651 H GLN 71 H GLN 71 -3.242 5.007 -5.252 652 HA GLN 71 HA GLN 71 -3.113 3.585 -3.037 653 1HB GLN 71 1HB GLN 71 -1.267 4.947 -4.680 654 2HB GLN 71 2HB GLN 71 -0.871 5.474 -3.056 655 1HG GLN 71 1HG GLN 71 -1.384 2.640 -2.942 656 2HG GLN 71 2HG GLN 71 -0.318 2.925 -4.303 657 2HE2 GLN 71 1HE2 GLN 71 -0.572 2.574 -0.978 658 1HE2 GLN 71 2HE2 GLN 71 1.012 3.082 -0.492 659 QB GLN 71 QB GLN 71 -1.069 5.210 -3.868 660 QG GLN 71 QG GLN 71 -0.851 2.782 -3.623 661 QE GLN 71 QE GLN 71 0.220 2.828 -0.735 662 H GLU 72 H GLU 72 -2.829 7.208 -3.107 663 HA GLU 72 HA GLU 72 -2.402 7.727 -0.538 664 1HB GLU 72 1HB GLU 72 -4.103 9.103 -2.617 665 2HB GLU 72 2HB GLU 72 -4.096 9.739 -0.984 666 1HG GLU 72 1HG GLU 72 -1.435 9.098 -2.254 667 2HG GLU 72 2HG GLU 72 -2.287 10.523 -2.817 668 HE2 GLU 72 HE2 GLU 72 -1.264 9.937 0.959 669 QB GLU 72 QB GLU 72 -4.099 9.421 -1.801 670 QG GLU 72 QG GLU 72 -1.861 9.811 -2.536 671 H PHE 73 H PHE 73 -5.814 7.920 -1.770 672 HA PHE 73 HA PHE 73 -7.001 7.750 0.693 673 1HB PHE 73 1HB PHE 73 -8.225 8.389 -1.323 674 2HB PHE 73 2HB PHE 73 -7.756 6.921 -2.157 675 HD1 PHE 73 HD1 PHE 73 -9.878 8.221 0.585 676 HD2 PHE 73 HD2 PHE 73 -9.098 4.985 -2.046 677 HE1 PHE 73 HE1 PHE 73 -12.036 7.140 1.276 678 HE2 PHE 73 HE2 PHE 73 -11.256 3.903 -1.355 679 HZ PHE 73 HZ PHE 73 -12.698 4.994 0.298 680 QB PHE 73 QB PHE 73 -7.991 7.655 -1.740 681 QD PHE 73 QD PHE 73 -9.488 6.603 -0.730 682 QE PHE 73 QE PHE 73 -11.646 5.522 -0.039 683 QR PHE 73 QR PHE 73 -10.567 6.063 -0.385 684 H PHE 74 H PHE 74 -5.761 5.155 -1.427 685 HA PHE 74 HA PHE 74 -7.098 3.046 -0.140 686 1HB PHE 74 1HB PHE 74 -4.845 3.561 -2.054 687 2HB PHE 74 2HB PHE 74 -4.678 2.058 -1.169 688 HD1 PHE 74 HD1 PHE 74 -7.602 3.829 -2.689 689 HD2 PHE 74 HD2 PHE 74 -5.297 0.272 -2.476 690 HE1 PHE 74 HE1 PHE 74 -9.179 2.711 -4.290 691 HE2 PHE 74 HE2 PHE 74 -6.874 -0.846 -4.078 692 HZ PHE 74 HZ PHE 74 -8.796 0.387 -4.965 693 QB PHE 74 QB PHE 74 -4.762 2.810 -1.612 694 QD PHE 74 QD PHE 74 -6.450 2.050 -2.583 695 QE PHE 74 QE PHE 74 -8.027 0.933 -4.184 696 QR PHE 74 QR PHE 74 -7.238 1.491 -3.383 697 H VAL 75 H VAL 75 -4.371 5.041 0.762 698 HA VAL 75 HA VAL 75 -3.259 3.044 2.527 699 HB VAL 75 HB VAL 75 -2.564 5.746 1.535 700 1HG1 VAL 75 1HG1 VAL 75 -1.990 4.838 4.340 701 2HG1 VAL 75 2HG1 VAL 75 -0.761 5.771 3.453 702 3HG1 VAL 75 3HG1 VAL 75 -2.379 6.462 3.724 703 1HG2 VAL 75 1HG2 VAL 75 -1.614 3.545 0.714 704 2HG2 VAL 75 2HG2 VAL 75 -0.415 4.770 1.193 705 3HG2 VAL 75 3HG2 VAL 75 -0.782 3.411 2.282 706 MG1 VAL 75 MG1 VAL 75 -1.710 5.690 3.839 707 MG2 VAL 75 MG2 VAL 75 -0.937 3.909 1.396 708 QG VAL 75 QG VAL 75 -1.323 4.799 2.618 709 H ALA 76 H ALA 76 -4.535 6.422 2.994 710 HA ALA 76 HA ALA 76 -4.787 6.402 5.677 711 1HB ALA 76 3HB ALA 76 -6.273 8.207 5.395 712 2HB ALA 76 2HB ALA 76 -6.977 7.519 3.912 713 3HB ALA 76 1HB ALA 76 -5.334 8.204 3.883 714 MB ALA 76 MB ALA 76 -6.195 7.977 4.397 715 H LEU 77 H LEU 77 -6.681 4.574 3.309 716 HA LEU 77 HA LEU 77 -8.892 4.026 4.935 717 1HB LEU 77 1HB LEU 77 -8.011 3.447 2.343 718 2HB LEU 77 2HB LEU 77 -8.212 1.885 3.110 719 HG LEU 77 HG LEU 77 -10.387 3.972 3.223 720 1HD1 LEU 77 1HD1 LEU 77 -9.635 3.496 0.838 721 2HD1 LEU 77 2HD1 LEU 77 -10.235 1.839 1.091 722 3HD1 LEU 77 3HD1 LEU 77 -11.353 3.219 1.212 723 1HD2 LEU 77 1HD2 LEU 77 -10.248 1.779 4.660 724 2HD2 LEU 77 2HD2 LEU 77 -11.786 2.290 3.922 725 3HD2 LEU 77 3HD2 LEU 77 -10.815 1.008 3.159 726 MD1 LEU 77 MD1 LEU 77 -10.407 2.851 1.047 727 MD2 LEU 77 MD2 LEU 77 -10.950 1.692 3.914 728 QB LEU 77 QB LEU 77 -8.111 2.666 2.726 729 QD LEU 77 QD LEU 77 -10.679 2.272 2.480 730 H ARG 78 H ARG 78 -6.509 1.494 3.963 731 HA ARG 78 HA ARG 78 -7.039 -0.112 6.078 732 1HB ARG 78 1HB ARG 78 -4.527 0.241 4.387 733 2HB ARG 78 2HB ARG 78 -4.625 -1.010 5.610 734 1HG ARG 78 1HG ARG 78 -6.482 -0.674 3.209 735 2HG ARG 78 2HG ARG 78 -5.286 -1.936 3.430 736 1HD ARG 78 2HD ARG 78 -6.800 -2.162 5.761 737 2HD ARG 78 1HD ARG 78 -6.974 -3.172 4.340 738 HE ARG 78 HE ARG 78 -8.470 -0.607 4.343 739 1HH1 ARG 78 1HH1 ARG 78 -8.554 -4.125 4.752 740 2HH1 ARG 78 2HH1 ARG 78 -10.273 -4.230 4.565 741 2HH2 ARG 78 HH2 ARG 78 -11.536 -2.230 4.179 742 QB ARG 78 QB ARG 78 -4.576 -0.384 4.998 743 QG ARG 78 QG ARG 78 -5.884 -1.305 3.320 744 QD ARG 78 QD ARG 78 -6.887 -2.667 5.050 745 QH1 ARG 78 QH1 ARG 78 -9.413 -4.178 4.658 746 H LEU 79 H LEU 79 -5.199 2.864 5.964 747 HA LEU 79 HA LEU 79 -3.424 2.428 8.071 748 1HB LEU 79 1HB LEU 79 -3.468 4.277 6.334 749 2HB LEU 79 2HB LEU 79 -4.694 5.055 7.316 750 HG LEU 79 HG LEU 79 -1.812 4.504 8.039 751 1HD1 LEU 79 1HD1 LEU 79 -2.923 6.630 6.737 752 2HD1 LEU 79 2HD1 LEU 79 -2.975 7.181 8.429 753 3HD1 LEU 79 3HD1 LEU 79 -1.428 6.687 7.701 754 1HD2 LEU 79 1HD2 LEU 79 -4.141 5.127 9.829 755 2HD2 LEU 79 2HD2 LEU 79 -2.787 3.996 10.069 756 3HD2 LEU 79 3HD2 LEU 79 -2.519 5.749 10.218 757 MD1 LEU 79 MD1 LEU 79 -2.442 6.833 7.623 758 MD2 LEU 79 MD2 LEU 79 -3.149 4.957 10.039 759 QB LEU 79 QB LEU 79 -4.081 4.666 6.825 760 QD LEU 79 QD LEU 79 -2.795 5.895 8.831 761 H VAL 80 H VAL 80 -6.861 3.470 7.965 762 HA VAL 80 HA VAL 80 -7.105 4.250 10.608 763 HB VAL 80 HB VAL 80 -9.038 3.015 8.647 764 1HG1 VAL 80 1HG1 VAL 80 -9.399 3.205 11.438 765 2HG1 VAL 80 2HG1 VAL 80 -10.330 4.546 10.730 766 3HG1 VAL 80 3HG1 VAL 80 -10.634 2.875 10.199 767 1HG2 VAL 80 1HG2 VAL 80 -7.892 5.375 8.385 768 2HG2 VAL 80 2HG2 VAL 80 -9.625 5.164 8.042 769 3HG2 VAL 80 3HG2 VAL 80 -9.104 5.863 9.593 770 MG1 VAL 80 MG1 VAL 80 -10.121 3.542 10.789 771 MG2 VAL 80 MG2 VAL 80 -8.874 5.467 8.673 772 QG VAL 80 QG VAL 80 -9.498 4.505 9.731 773 H ALA 81 H ALA 81 -7.308 0.992 9.074 774 HA ALA 81 HA ALA 81 -8.178 -0.406 11.299 775 1HB ALA 81 1HB ALA 81 -6.925 -0.946 8.695 776 2HB ALA 81 2HB ALA 81 -6.483 -2.138 9.940 777 3HB ALA 81 3HB ALA 81 -8.196 -1.845 9.557 778 MB ALA 81 MB ALA 81 -7.201 -1.643 9.397 779 H CYS 82 H CYS 82 -5.193 1.271 10.715 780 HA CYS 82 HA CYS 82 -3.553 -0.362 12.340 781 1HB CYS 82 1HB CYS 82 -2.939 1.446 10.516 782 2HB CYS 82 2HB CYS 82 -2.981 2.552 11.874 783 HG CYS 82 HG CYS 82 -1.549 0.060 12.672 784 QB CYS 82 QB CYS 82 -2.960 1.999 11.195 785 H ALA 83 H ALA 83 -4.749 3.047 12.839 786 HA ALA 83 HA ALA 83 -4.267 3.069 15.575 787 1HB ALA 83 2HB ALA 83 -5.837 5.039 15.521 788 2HB ALA 83 1HB ALA 83 -6.202 4.637 13.826 789 3HB ALA 83 3HB ALA 83 -4.549 5.104 14.294 790 MB ALA 83 MB ALA 83 -5.529 4.927 14.547 791 H GLN 84 H GLN 84 -6.801 1.575 13.662 792 HA GLN 84 HA GLN 84 -8.875 1.587 15.428 793 1HB GLN 84 1HB GLN 84 -7.949 -0.293 13.266 794 2HB GLN 84 2HB GLN 84 -9.253 -0.827 14.308 795 1HG GLN 84 1HG GLN 84 -9.612 1.960 13.391 796 2HG GLN 84 2HG GLN 84 -9.517 0.825 12.060 797 2HE2 GLN 84 1HE2 GLN 84 -11.796 1.882 12.076 798 1HE2 GLN 84 2HE2 GLN 84 -13.056 0.946 12.809 799 QB GLN 84 QB GLN 84 -8.601 -0.560 13.787 800 QG GLN 84 QG GLN 84 -9.564 1.393 12.725 801 QE GLN 84 QE GLN 84 -12.426 1.414 12.442 802 H ASN 85 H ASN 85 -5.813 -0.178 15.543 803 HA ASN 85 HA ASN 85 -6.841 -1.835 17.682 804 1HB ASN 85 1HB ASN 85 -5.319 -2.666 15.700 805 2HB ASN 85 2HB ASN 85 -4.005 -1.886 16.558 806 2HD2 ASN 85 1HD2 ASN 85 -2.841 -3.427 17.436 807 1HD2 ASN 85 2HD2 ASN 85 -3.410 -4.728 18.428 808 QB ASN 85 QB ASN 85 -4.662 -2.276 16.129 809 QD ASN 85 QD ASN 85 -3.126 -4.077 17.932 810 H GLY 86 H GLY 86 -5.042 1.072 16.999 811 1HA GLY 86 1HA GLY 86 -4.648 2.574 18.828 812 2HA GLY 86 2HA GLY 86 -4.156 1.212 19.815 813 QA GLY 86 QA GLY 86 -4.402 1.893 19.321 814 H LEU 87 H LEU 87 -3.094 0.865 16.549 815 HA LEU 87 HA LEU 87 -0.377 1.241 17.373 816 1HB LEU 87 1HB LEU 87 -1.534 0.553 14.668 817 2HB LEU 87 2HB LEU 87 0.152 0.442 15.132 818 HG LEU 87 HG LEU 87 -1.951 -1.115 16.625 819 1HD1 LEU 87 1HD1 LEU 87 -0.851 -1.665 13.897 820 2HD1 LEU 87 2HD1 LEU 87 -1.137 -3.025 15.009 821 3HD1 LEU 87 3HD1 LEU 87 -2.480 -1.949 14.556 822 1HD2 LEU 87 1HD2 LEU 87 1.022 -1.469 16.176 823 2HD2 LEU 87 2HD2 LEU 87 0.191 -1.048 17.693 824 3HD2 LEU 87 3HD2 LEU 87 -0.024 -2.665 16.979 825 MD1 LEU 87 MD1 LEU 87 -1.490 -2.213 14.487 826 MD2 LEU 87 MD2 LEU 87 0.396 -1.728 16.949 827 QB LEU 87 QB LEU 87 -0.691 0.498 14.900 828 QD LEU 87 QD LEU 87 -0.547 -1.970 15.718 829 H GLU 88 H GLU 88 1.039 2.394 15.449 830 HA GLU 88 HA GLU 88 0.583 5.075 15.837 831 1HB GLU 88 1HB GLU 88 2.640 3.543 14.846 832 2HB GLU 88 2HB GLU 88 2.092 4.328 13.378 833 1HG GLU 88 1HG GLU 88 2.273 6.558 14.510 834 2HG GLU 88 2HG GLU 88 2.835 5.768 15.969 835 HE2 GLU 88 HE2 GLU 88 6.055 6.039 14.779 836 QB GLU 88 QB GLU 88 2.366 3.935 14.112 837 QG GLU 88 QG GLU 88 2.554 6.163 15.240 838 H VAL 89 H VAL 89 0.450 6.703 13.841 839 HA VAL 89 HA VAL 89 -1.791 5.784 12.176 840 HB VAL 89 HB VAL 89 -1.266 8.634 12.991 841 1HG1 VAL 89 1HG1 VAL 89 -3.634 7.111 11.882 842 2HG1 VAL 89 2HG1 VAL 89 -3.798 8.716 12.633 843 3HG1 VAL 89 3HG1 VAL 89 -2.785 8.511 11.184 844 1HG2 VAL 89 1HG2 VAL 89 -1.462 7.235 15.042 845 2HG2 VAL 89 2HG2 VAL 89 -2.800 8.393 14.851 846 3HG2 VAL 89 3HG2 VAL 89 -3.051 6.673 14.470 847 MG1 VAL 89 MG1 VAL 89 -3.406 8.113 11.900 848 MG2 VAL 89 MG2 VAL 89 -2.438 7.434 14.788 849 QG VAL 89 QG VAL 89 -2.922 7.773 13.344 850 H SER 90 H SER 90 1.483 6.470 12.205 851 HA SER 90 HA SER 90 1.435 7.837 9.662 852 1HB SER 90 1HB SER 90 3.658 7.113 11.609 853 2HB SER 90 2HB SER 90 3.996 7.765 10.018 854 HG SER 90 HG SER 90 3.908 9.450 11.617 855 QB SER 90 QB SER 90 3.827 7.439 10.813 856 H LEU 91 H LEU 91 2.601 6.955 7.776 857 HA LEU 91 HA LEU 91 2.042 4.264 7.331 858 1HB LEU 91 1HB LEU 91 3.297 6.500 5.913 859 2HB LEU 91 2HB LEU 91 3.942 4.936 5.458 860 HG LEU 91 HG LEU 91 0.999 5.659 5.413 861 1HD1 LEU 91 1HD1 LEU 91 2.344 6.971 3.793 862 2HD1 LEU 91 2HD1 LEU 91 2.915 5.444 3.076 863 3HD1 LEU 91 3HD1 LEU 91 1.186 5.863 3.019 864 1HD2 LEU 91 1HD2 LEU 91 2.440 3.143 5.137 865 2HD2 LEU 91 2HD2 LEU 91 0.698 3.455 5.332 866 3HD2 LEU 91 3HD2 LEU 91 1.437 3.510 3.713 867 MD1 LEU 91 MD1 LEU 91 2.148 6.093 3.296 868 MD2 LEU 91 MD2 LEU 91 1.525 3.369 4.727 869 QB LEU 91 QB LEU 91 3.619 5.718 5.686 870 QD LEU 91 QD LEU 91 1.837 4.731 4.011 871 H SER 92 H SER 92 4.687 5.843 8.966 872 HA SER 92 HA SER 92 6.683 4.002 8.461 873 1HB SER 92 1HB SER 92 6.714 6.332 9.680 874 2HB SER 92 2HB SER 92 6.375 5.408 11.129 875 HG SER 92 HG SER 92 8.315 4.044 10.399 876 QB SER 92 QB SER 92 6.545 5.870 10.405 877 H SER 93 H SER 93 3.693 3.651 10.114 878 HA SER 93 HA SER 93 4.719 1.229 11.368 879 1HB SER 93 1HB SER 93 3.759 3.435 12.763 880 2HB SER 93 2HB SER 93 2.333 2.423 12.655 881 HG SER 93 HG SER 93 4.195 0.700 13.317 882 QB SER 93 QB SER 93 3.046 2.929 12.709 883 H LEU 94 H LEU 94 3.572 1.617 8.689 884 HA LEU 94 HA LEU 94 0.973 0.299 9.045 885 1HB LEU 94 1HB LEU 94 2.017 2.286 7.106 886 2HB LEU 94 2HB LEU 94 0.962 1.043 6.463 887 HG LEU 94 HG LEU 94 -0.275 3.068 7.028 888 1HD1 LEU 94 1HD1 LEU 94 -0.841 0.440 8.214 889 2HD1 LEU 94 2HD1 LEU 94 -1.721 1.789 8.972 890 3HD1 LEU 94 3HD1 LEU 94 -1.865 1.505 7.221 891 1HD2 LEU 94 1HD2 LEU 94 1.232 2.845 9.539 892 2HD2 LEU 94 2HD2 LEU 94 0.512 4.266 8.746 893 3HD2 LEU 94 3HD2 LEU 94 -0.498 3.205 9.756 894 MD1 LEU 94 MD1 LEU 94 -1.476 1.245 8.136 895 MD2 LEU 94 MD2 LEU 94 0.415 3.439 9.347 896 QB LEU 94 QB LEU 94 1.490 1.664 6.784 897 QD LEU 94 QD LEU 94 -0.530 2.342 8.741 898 H SER 95 H SER 95 0.593 -1.020 6.735 899 HA SER 95 HA SER 95 1.101 -2.795 5.593 900 1HB SER 95 2HB SER 95 3.161 -1.321 4.975 901 2HB SER 95 1HB SER 95 3.217 -3.031 4.595 902 HG SER 95 HG SER 95 4.940 -1.628 6.110 903 QB SER 95 QB SER 95 3.189 -2.176 4.785 904 H LEU 96 H LEU 96 0.577 -3.005 8.413 905 HA LEU 96 HA LEU 96 2.365 -5.192 9.202 906 1HB LEU 96 2HB LEU 96 1.804 -4.742 11.446 907 2HB LEU 96 1HB LEU 96 0.459 -3.712 10.998 908 HG LEU 96 HG LEU 96 2.260 -2.177 9.929 909 1HD1 LEU 96 1HD1 LEU 96 1.753 -2.516 12.881 910 2HD1 LEU 96 2HD1 LEU 96 2.750 -1.187 12.244 911 3HD1 LEU 96 3HD1 LEU 96 1.048 -1.340 11.746 912 1HD2 LEU 96 1HD2 LEU 96 4.047 -3.978 10.211 913 2HD2 LEU 96 2HD2 LEU 96 4.476 -2.320 10.696 914 3HD2 LEU 96 3HD2 LEU 96 4.065 -3.531 11.934 915 MD1 LEU 96 MD1 LEU 96 1.850 -1.681 12.290 916 MD2 LEU 96 MD2 LEU 96 4.196 -3.276 10.947 917 QB LEU 96 QB LEU 96 1.131 -4.227 11.222 918 QD LEU 96 QD LEU 96 3.023 -2.479 11.619 919 H ALA 97 H ALA 97 0.410 -6.194 11.177 920 HA ALA 97 HA ALA 97 -1.394 -7.500 9.263 921 1HB ALA 97 2HB ALA 97 -0.743 -8.611 11.983 922 2HB ALA 97 1HB ALA 97 0.473 -8.729 10.688 923 3HB ALA 97 3HB ALA 97 -1.133 -9.465 10.471 924 MB ALA 97 MB ALA 97 -0.468 -8.935 11.048 925 H VAL 98 H VAL 98 -2.444 -5.162 9.768 926 HA VAL 98 HA VAL 98 -3.814 -5.038 12.271 927 HB VAL 98 HB VAL 98 -4.812 -3.042 11.353 928 1HG1 VAL 98 1HG1 VAL 98 -1.893 -3.530 11.180 929 2HG1 VAL 98 2HG1 VAL 98 -2.481 -2.057 10.371 930 3HG1 VAL 98 3HG1 VAL 98 -2.804 -2.310 12.103 931 1HG2 VAL 98 1HG2 VAL 98 -5.143 -4.052 9.034 932 2HG2 VAL 98 2HG2 VAL 98 -4.647 -2.343 9.095 933 3HG2 VAL 98 3HG2 VAL 98 -3.451 -3.603 8.708 934 MG1 VAL 98 MG1 VAL 98 -2.392 -2.632 11.218 935 MG2 VAL 98 MG2 VAL 98 -4.414 -3.333 8.946 936 QG VAL 98 QG VAL 98 -3.403 -2.983 10.082 937 HA PRO 99 HA PRO 99 -7.386 -7.203 11.170 938 1HB PRO 99 1HB PRO 99 -9.316 -5.973 12.664 939 2HB PRO 99 2HB PRO 99 -8.194 -7.146 13.326 940 1HG PRO 99 2HG PRO 99 -7.381 -5.413 14.613 941 2HG PRO 99 1HG PRO 99 -8.206 -4.207 13.646 942 1HD PRO 99 1HD PRO 99 -6.204 -3.700 12.636 943 2HD PRO 99 2HD PRO 99 -5.404 -4.985 13.520 944 QB PRO 99 QB PRO 99 -8.755 -6.559 12.995 945 QG PRO 99 QG PRO 99 -7.794 -4.810 14.129 946 QD PRO 99 QD PRO 99 -5.804 -4.343 13.078 947 HA PRO 100 HA PRO 100 -9.750 -5.387 8.145 948 1HB PRO 100 1HB PRO 100 -12.228 -6.524 8.333 949 2HB PRO 100 2HB PRO 100 -10.859 -7.328 7.591 950 1HG PRO 100 2HG PRO 100 -11.028 -8.863 9.305 951 2HG PRO 100 1HG PRO 100 -12.092 -7.824 10.232 952 1HD PRO 100 1HD PRO 100 -10.319 -7.285 11.593 953 2HD PRO 100 2HD PRO 100 -9.233 -8.232 10.596 954 QB PRO 100 QB PRO 100 -11.544 -6.926 7.962 955 QG PRO 100 QG PRO 100 -11.560 -8.343 9.768 956 QD PRO 100 QD PRO 100 -9.776 -7.759 11.094 957 HA PRO 101 HA PRO 101 -11.538 -2.000 10.118 958 1HB PRO 101 1HB PRO 101 -11.092 -0.164 8.144 959 2HB PRO 101 2HB PRO 101 -9.922 -0.527 9.396 960 1HG PRO 101 2HG PRO 101 -8.581 -1.325 7.698 961 2HG PRO 101 1HG PRO 101 -9.909 -1.344 6.555 962 1HD PRO 101 1HD PRO 101 -10.047 -3.624 6.809 963 2HD PRO 101 2HD PRO 101 -8.798 -3.589 8.036 964 QB PRO 101 QB PRO 101 -10.507 -0.345 8.770 965 QG PRO 101 QG PRO 101 -9.245 -1.334 7.127 966 QD PRO 101 QD PRO 101 -9.422 -3.606 7.422 967 H ARG 102 H ARG 102 -13.479 -0.808 10.079 968 HA ARG 102 HA ARG 102 -15.242 -1.986 8.113 969 1HB ARG 102 1HB ARG 102 -15.546 -0.883 10.879 970 2HB ARG 102 2HB ARG 102 -16.887 -0.548 9.801 971 1HG ARG 102 1HG ARG 102 -15.862 -3.357 9.725 972 2HG ARG 102 2HG ARG 102 -16.614 -2.877 11.233 973 1HD ARG 102 1HD ARG 102 -18.707 -2.385 10.178 974 2HD ARG 102 2HD ARG 102 -17.987 -2.298 8.583 975 HE ARG 102 HE ARG 102 -17.452 -4.895 9.309 976 1HH1 ARG 102 1HH1 ARG 102 -20.436 -2.986 9.325 977 2HH1 ARG 102 2HH1 ARG 102 -21.462 -4.358 9.071 978 2HH2 ARG 102 HH2 ARG 102 -20.481 -6.536 8.867 979 QB ARG 102 QB ARG 102 -16.217 -0.716 10.340 980 QG ARG 102 QG ARG 102 -16.238 -3.117 10.479 981 QD ARG 102 QD ARG 102 -18.347 -2.342 9.381 982 QH1 ARG 102 QH1 ARG 102 -20.949 -3.672 9.198 983 H PHE 103 H PHE 103 -17.110 -0.406 7.361 984 HA PHE 103 HA PHE 103 -16.549 2.360 7.341 985 1HB PHE 103 1HB PHE 103 -15.836 0.550 4.974 986 2HB PHE 103 2HB PHE 103 -16.253 2.230 4.698 987 HD1 PHE 103 HD1 PHE 103 -14.842 4.021 5.813 988 HD2 PHE 103 HD2 PHE 103 -13.668 -0.055 5.666 989 HE1 PHE 103 HE1 PHE 103 -12.468 4.688 6.281 990 HE2 PHE 103 HE2 PHE 103 -11.294 0.613 6.134 991 HZ PHE 103 HZ PHE 103 -10.723 2.976 6.435 992 QB PHE 103 QB PHE 103 -16.044 1.390 4.836 993 QD PHE 103 QD PHE 103 -14.255 1.983 5.739 994 QE PHE 103 QE PHE 103 -11.881 2.650 6.207 995 QR PHE 103 QR PHE 103 -13.068 2.317 5.973 996 H HIS 104 H HIS 104 -17.964 3.378 5.351 997 HA HIS 104 HA HIS 104 -20.579 2.294 5.826 998 1HB HIS 104 1HB HIS 104 -19.410 4.833 4.974 999 2HB HIS 104 2HB HIS 104 -20.806 4.397 4.009 1000 HD1 HIS 104 HD1 HIS 104 -22.863 5.452 4.927 1001 HD2 HIS 104 HD2 HIS 104 -20.217 4.288 7.966 1002 HE1 HIS 104 HE1 HIS 104 -23.988 6.074 7.131 1003 QB HIS 104 QB HIS 104 -20.108 4.615 4.492 1004 H ASP 105 H ASP 105 -22.135 2.229 3.816 1005 HA ASP 105 HA ASP 105 -22.696 0.927 2.148 1006 1HB ASP 105 1HB ASP 105 -22.229 2.714 0.713 1007 2HB ASP 105 2HB ASP 105 -20.523 2.729 1.112 1008 HD2 ASP 105 HD2 ASP 105 -19.917 -0.066 -0.981 1009 QB ASP 105 QB ASP 105 -21.376 2.721 0.913 No H/Q in entry = 1009 Start of MODEL 10 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.196 1.039 -1.553 3 1HB LEU 7 1HB LEU 7 3.392 -1.660 -0.953 4 2HB LEU 7 2HB LEU 7 4.074 -0.363 -1.914 5 HG LEU 7 HG LEU 7 3.765 -0.492 1.088 6 1HD1 LEU 7 1HD1 LEU 7 5.754 -1.492 -0.318 7 2HD1 LEU 7 2HD1 LEU 7 6.292 0.205 -0.357 8 3HD1 LEU 7 3HD1 LEU 7 6.051 -0.617 1.204 9 1HD2 LEU 7 1HD2 LEU 7 3.913 1.886 -0.664 10 2HD2 LEU 7 2HD2 LEU 7 3.291 1.707 0.995 11 3HD2 LEU 7 3HD2 LEU 7 5.042 1.865 0.712 12 MD1 LEU 7 MD1 LEU 7 6.032 -0.635 0.177 13 MD2 LEU 7 MD2 LEU 7 4.082 1.819 0.348 14 QB LEU 7 QB LEU 7 3.733 -1.012 -1.434 15 QD LEU 7 QD LEU 7 5.057 0.592 0.262 16 H SER 8 H SER 8 2.982 -1.184 -3.364 17 HA SER 8 HA SER 8 0.867 -1.212 -5.002 18 1HB SER 8 1HB SER 8 1.908 -3.540 -5.764 19 2HB SER 8 2HB SER 8 2.787 -2.042 -5.999 20 HG SER 8 HG SER 8 3.812 -4.068 -4.846 21 QB SER 8 QB SER 8 2.347 -2.791 -5.882 22 H LEU 9 H LEU 9 -0.420 -3.315 -5.726 23 HA LEU 9 HA LEU 9 -2.287 -3.906 -3.854 24 1HB LEU 9 1HB LEU 9 -1.377 -5.732 -6.081 25 2HB LEU 9 2HB LEU 9 -2.935 -5.757 -5.279 26 HG LEU 9 HG LEU 9 -1.839 -3.665 -7.161 27 1HD1 LEU 9 1HD1 LEU 9 -3.884 -5.803 -7.284 28 2HD1 LEU 9 2HD1 LEU 9 -4.324 -4.252 -8.037 29 3HD1 LEU 9 3HD1 LEU 9 -2.856 -5.110 -8.562 30 1HD2 LEU 9 1HD2 LEU 9 -3.876 -3.363 -5.032 31 2HD2 LEU 9 2HD2 LEU 9 -2.845 -2.149 -5.827 32 3HD2 LEU 9 3HD2 LEU 9 -4.318 -2.734 -6.637 33 MD1 LEU 9 MD1 LEU 9 -3.688 -5.055 -7.961 34 MD2 LEU 9 MD2 LEU 9 -3.679 -2.749 -5.832 35 QB LEU 9 QB LEU 9 -2.156 -5.745 -5.680 36 QD LEU 9 QD LEU 9 -3.684 -3.902 -6.896 37 H THR 10 H THR 10 0.911 -5.415 -4.343 38 HA THR 10 HA THR 10 0.627 -7.733 -2.918 39 HB THR 10 HB THR 10 3.151 -7.093 -2.313 40 HG1 THR 10 HG1 THR 10 3.025 -4.850 -2.729 41 1HG2 THR 10 1HG2 THR 10 1.851 -7.789 -4.896 42 2HG2 THR 10 2HG2 THR 10 3.426 -6.981 -5.082 43 3HG2 THR 10 3HG2 THR 10 3.304 -8.487 -4.141 44 MG THR 10 MG THR 10 2.860 -7.752 -4.706 45 H GLN 11 H GLN 11 1.461 -4.474 -1.564 46 HA GLN 11 HA GLN 11 1.301 -5.511 1.068 47 1HB GLN 11 1HB GLN 11 2.150 -3.051 -0.237 48 2HB GLN 11 2HB GLN 11 1.136 -2.670 1.141 49 1HG GLN 11 1HG GLN 11 2.900 -4.797 1.946 50 2HG GLN 11 2HG GLN 11 3.878 -3.597 1.125 51 2HE2 GLN 11 1HE2 GLN 11 2.518 -4.509 4.003 52 1HE2 GLN 11 2HE2 GLN 11 2.592 -3.021 4.887 53 QB GLN 11 QB GLN 11 1.643 -2.861 0.452 54 QG GLN 11 QG GLN 11 3.389 -4.197 1.536 55 QE GLN 11 QE GLN 11 2.555 -3.765 4.445 56 H LEU 12 H LEU 12 -0.882 -3.901 -1.228 57 HA LEU 12 HA LEU 12 -2.783 -2.875 0.442 58 1HB LEU 12 1HB LEU 12 -2.587 -2.784 -2.085 59 2HB LEU 12 2HB LEU 12 -3.374 -4.350 -2.121 60 HG LEU 12 HG LEU 12 -4.974 -2.584 -2.554 61 1HD1 LEU 12 1HD1 LEU 12 -5.409 -4.675 -0.956 62 2HD1 LEU 12 2HD1 LEU 12 -5.773 -3.374 0.203 63 3HD1 LEU 12 3HD1 LEU 12 -6.668 -3.475 -1.333 64 1HD2 LEU 12 1HD2 LEU 12 -3.672 -0.846 -1.221 65 2HD2 LEU 12 2HD2 LEU 12 -5.447 -0.779 -1.120 66 3HD2 LEU 12 3HD2 LEU 12 -4.506 -1.481 0.217 67 MD1 LEU 12 MD1 LEU 12 -5.950 -3.841 -0.695 68 MD2 LEU 12 MD2 LEU 12 -4.542 -1.036 -0.708 69 QB LEU 12 QB LEU 12 -2.980 -3.567 -2.103 70 QD LEU 12 QD LEU 12 -5.246 -2.438 -0.702 71 H SER 13 H SER 13 -2.288 -6.290 -0.594 72 HA SER 13 HA SER 13 -3.445 -7.212 1.777 73 1HB SER 13 1HB SER 13 -5.224 -6.923 -0.577 74 2HB SER 13 2HB SER 13 -5.232 -8.535 0.110 75 HG SER 13 HG SER 13 -6.571 -6.424 1.006 76 QB SER 13 QB SER 13 -5.228 -7.729 -0.233 77 H SER 14 H SER 14 -0.996 -7.767 0.955 78 HA SER 14 HA SER 14 0.424 -9.308 0.392 79 1HB SER 14 1HB SER 14 -1.851 -10.744 1.434 80 2HB SER 14 2HB SER 14 -1.159 -11.697 0.137 81 HG SER 14 HG SER 14 0.938 -11.498 1.201 82 QB SER 14 QB SER 14 -1.505 -11.220 0.786 83 H GLY 15 H GLY 15 -1.531 -8.005 -1.681 84 1HA GLY 15 1HA GLY 15 -1.546 -7.939 -3.940 85 2HA GLY 15 2HA GLY 15 -0.400 -9.264 -3.980 86 QA GLY 15 QA GLY 15 -0.973 -8.602 -3.960 87 H ASN 16 H ASN 16 -3.554 -9.361 -2.264 88 HA ASN 16 HA ASN 16 -4.256 -11.798 -3.202 89 1HB ASN 16 1HB ASN 16 -5.359 -10.058 -1.441 90 2HB ASN 16 2HB ASN 16 -6.444 -9.753 -2.783 91 2HD2 ASN 16 1HD2 ASN 16 -7.312 -10.816 -0.404 92 1HD2 ASN 16 2HD2 ASN 16 -7.838 -12.452 -0.621 93 QB ASN 16 QB ASN 16 -5.901 -9.905 -2.112 94 QD ASN 16 QD ASN 16 -7.575 -11.634 -0.512 95 HA PRO 17 HA PRO 17 -5.233 -10.603 -7.372 96 1HB PRO 17 1HB PRO 17 -5.433 -13.122 -8.414 97 2HB PRO 17 2HB PRO 17 -3.915 -12.255 -8.286 98 1HG PRO 17 2HG PRO 17 -3.274 -13.904 -6.807 99 2HG PRO 17 1HG PRO 17 -4.915 -14.493 -6.634 100 1HD PRO 17 1HD PRO 17 -5.038 -13.441 -4.594 101 2HD PRO 17 2HD PRO 17 -3.440 -12.759 -4.821 102 QB PRO 17 QB PRO 17 -4.674 -12.688 -8.350 103 QG PRO 17 QG PRO 17 -4.094 -14.199 -6.721 104 QD PRO 17 QD PRO 17 -4.239 -13.100 -4.707 105 H VAL 18 H VAL 18 -7.084 -12.443 -5.194 106 HA VAL 18 HA VAL 18 -9.299 -13.063 -6.646 107 HB VAL 18 HB VAL 18 -8.940 -13.679 -4.332 108 1HG1 VAL 18 1HG1 VAL 18 -8.063 -11.253 -3.797 109 2HG1 VAL 18 2HG1 VAL 18 -9.763 -10.961 -3.360 110 3HG1 VAL 18 3HG1 VAL 18 -8.839 -12.237 -2.532 111 1HG2 VAL 18 1HG2 VAL 18 -11.469 -12.175 -5.000 112 2HG2 VAL 18 2HG2 VAL 18 -11.187 -13.931 -4.931 113 3HG2 VAL 18 3HG2 VAL 18 -11.267 -12.982 -3.427 114 MG1 VAL 18 MG1 VAL 18 -8.888 -11.483 -3.230 115 MG2 VAL 18 MG2 VAL 18 -11.308 -13.029 -4.452 116 QG VAL 18 QG VAL 18 -10.098 -12.256 -3.841 117 H TYR 19 H TYR 19 -8.477 -9.886 -5.111 118 HA TYR 19 HA TYR 19 -10.838 -8.613 -5.973 119 1HB TYR 19 1HB TYR 19 -8.437 -8.155 -4.454 120 2HB TYR 19 2HB TYR 19 -8.404 -6.945 -5.721 121 HD1 TYR 19 HD1 TYR 19 -11.491 -8.277 -4.132 122 HD2 TYR 19 HD2 TYR 19 -8.752 -5.001 -4.390 123 HE1 TYR 19 HE1 TYR 19 -13.091 -6.825 -2.792 124 HE2 TYR 19 HE2 TYR 19 -10.361 -3.559 -3.049 125 HH TYR 19 HH TYR 19 -13.336 -3.974 -2.760 126 QB TYR 19 QB TYR 19 -8.420 -7.550 -5.087 127 QD TYR 19 QD TYR 19 -10.122 -6.639 -4.261 128 QE TYR 19 QE TYR 19 -11.726 -5.192 -2.921 129 QR TYR 19 QR TYR 19 -10.924 -5.915 -3.591 130 H GLU 20 H GLU 20 -7.618 -9.136 -7.446 131 HA GLU 20 HA GLU 20 -7.769 -7.205 -9.389 132 1HB GLU 20 1HB GLU 20 -6.106 -9.455 -8.748 133 2HB GLU 20 2HB GLU 20 -6.489 -9.568 -10.454 134 1HG GLU 20 1HG GLU 20 -5.815 -6.813 -9.572 135 2HG GLU 20 2HG GLU 20 -4.504 -7.956 -9.357 136 HE2 GLU 20 HE2 GLU 20 -3.698 -8.937 -11.471 137 QB GLU 20 QB GLU 20 -6.298 -9.511 -9.601 138 QG GLU 20 QG GLU 20 -5.160 -7.385 -9.464 139 H LYS 21 H LYS 21 -9.047 -10.578 -9.326 140 HA LYS 21 HA LYS 21 -9.780 -10.907 -11.912 141 1HB LYS 21 1HB LYS 21 -10.998 -12.668 -11.159 142 2HB LYS 21 2HB LYS 21 -10.095 -12.345 -9.693 143 1HG LYS 21 1HG LYS 21 -11.999 -10.880 -8.893 144 2HG LYS 21 2HG LYS 21 -12.906 -11.329 -10.323 145 1HD LYS 21 1HD LYS 21 -11.799 -13.399 -8.377 146 2HD LYS 21 2HD LYS 21 -13.388 -12.688 -8.184 147 1HE LYS 21 1HE LYS 21 -12.672 -13.854 -10.877 148 2HE LYS 21 2HE LYS 21 -13.032 -14.963 -9.568 149 QB LYS 21 QB LYS 21 -10.546 -12.507 -10.426 150 QD LYS 21 QD LYS 21 -12.593 -13.044 -8.281 151 QG LYS 21 QG LYS 21 -12.453 -11.105 -9.608 152 QE LYS 21 QE LYS 21 -12.852 -14.408 -10.223 153 QZ LYS 21 QZ LYS 21 -14.980 -13.808 -10.620 154 H TYR 22 H TYR 22 -11.513 -9.031 -9.360 155 HA TYR 22 HA TYR 22 -13.694 -8.368 -11.030 156 1HB TYR 22 1HB TYR 22 -12.383 -7.072 -8.558 157 2HB TYR 22 2HB TYR 22 -13.980 -6.644 -9.138 158 HD1 TYR 22 HD1 TYR 22 -11.978 -9.250 -7.470 159 HD2 TYR 22 HD2 TYR 22 -15.890 -8.106 -8.769 160 HE1 TYR 22 HE1 TYR 22 -12.997 -11.090 -6.043 161 HE2 TYR 22 HE2 TYR 22 -16.897 -9.950 -7.337 162 HH TYR 22 HH TYR 22 -16.209 -12.077 -6.401 163 QB TYR 22 QB TYR 22 -13.182 -6.858 -8.848 164 QD TYR 22 QD TYR 22 -13.934 -8.678 -8.120 165 QE TYR 22 QE TYR 22 -14.947 -10.520 -6.690 166 QR TYR 22 QR TYR 22 -14.441 -9.599 -7.405 167 H TYR 23 H TYR 23 -10.631 -6.670 -10.111 168 HA TYR 23 HA TYR 23 -11.153 -4.249 -11.317 169 1HB TYR 23 1HB TYR 23 -9.181 -4.532 -9.950 170 2HB TYR 23 2HB TYR 23 -8.746 -6.033 -10.741 171 HD1 TYR 23 HD1 TYR 23 -7.863 -5.917 -13.154 172 HD2 TYR 23 HD2 TYR 23 -8.215 -2.484 -10.625 173 HE1 TYR 23 HE1 TYR 23 -6.214 -4.657 -14.623 174 HE2 TYR 23 HE2 TYR 23 -6.566 -1.236 -12.103 175 HH TYR 23 HH TYR 23 -4.544 -2.224 -13.776 176 QB TYR 23 QB TYR 23 -8.964 -5.283 -10.345 177 QD TYR 23 QD TYR 23 -8.039 -4.201 -11.889 178 QE TYR 23 QE TYR 23 -6.390 -2.947 -13.363 179 QR TYR 23 QR TYR 23 -7.215 -3.574 -12.626 180 H ARG 24 H ARG 24 -10.174 -7.371 -12.750 181 HA ARG 24 HA ARG 24 -9.410 -6.249 -15.201 182 1HB ARG 24 1HB ARG 24 -8.610 -8.471 -14.522 183 2HB ARG 24 2HB ARG 24 -10.250 -9.080 -14.408 184 1HG ARG 24 2HG ARG 24 -10.474 -8.467 -16.929 185 2HG ARG 24 1HG ARG 24 -9.521 -9.878 -16.516 186 1HD ARG 24 1HD ARG 24 -7.618 -7.847 -16.387 187 2HD ARG 24 2HD ARG 24 -7.854 -8.925 -17.749 188 HE ARG 24 HE ARG 24 -8.743 -6.117 -17.555 189 1HH1 ARG 24 1HH1 ARG 24 -8.974 -9.167 -19.344 190 2HH1 ARG 24 2HH1 ARG 24 -9.557 -8.417 -20.792 191 2HH2 ARG 24 HH2 ARG 24 -9.865 -6.040 -20.841 192 QB ARG 24 QB ARG 24 -9.430 -8.775 -14.465 193 QG ARG 24 QG ARG 24 -9.998 -9.172 -16.722 194 QD ARG 24 QD ARG 24 -7.736 -8.386 -17.068 195 QH1 ARG 24 QH1 ARG 24 -9.266 -8.792 -20.068 196 H GLN 25 H GLN 25 -12.465 -7.421 -13.774 197 HA GLN 25 HA GLN 25 -13.889 -7.715 -16.129 198 1HB GLN 25 1HB GLN 25 -14.589 -7.282 -13.233 199 2HB GLN 25 2HB GLN 25 -15.867 -7.107 -14.418 200 1HG GLN 25 1HG GLN 25 -14.795 -9.433 -15.322 201 2HG GLN 25 2HG GLN 25 -14.316 -9.562 -13.641 202 2HE2 GLN 25 1HE2 GLN 25 -16.234 -8.593 -12.168 203 1HE2 GLN 25 2HE2 GLN 25 -17.760 -9.376 -12.409 204 QB GLN 25 QB GLN 25 -15.228 -7.195 -13.825 205 QG GLN 25 QG GLN 25 -14.555 -9.498 -14.482 206 QE GLN 25 QE GLN 25 -16.997 -8.984 -12.288 207 H VAL 26 H VAL 26 -13.053 -4.864 -14.160 208 HA VAL 26 HA VAL 26 -14.861 -3.182 -15.675 209 HB VAL 26 HB VAL 26 -14.594 -1.672 -14.024 210 1HG1 VAL 26 1HG1 VAL 26 -14.997 -4.057 -13.043 211 2HG1 VAL 26 2HG1 VAL 26 -13.356 -3.870 -12.379 212 3HG1 VAL 26 3HG1 VAL 26 -14.631 -2.708 -11.941 213 1HG2 VAL 26 1HG2 VAL 26 -11.701 -2.554 -13.839 214 2HG2 VAL 26 2HG2 VAL 26 -12.346 -1.011 -14.447 215 3HG2 VAL 26 3HG2 VAL 26 -12.440 -1.392 -12.711 216 MG1 VAL 26 MG1 VAL 26 -14.328 -3.545 -12.454 217 MG2 VAL 26 MG2 VAL 26 -12.162 -1.652 -13.665 218 QG VAL 26 QG VAL 26 -13.245 -2.598 -13.060 219 H GLU 27 H GLU 27 -11.354 -3.894 -15.323 220 HA GLU 27 HA GLU 27 -10.462 -1.815 -16.907 221 1HB GLU 27 1HB GLU 27 -9.003 -3.186 -15.444 222 2HB GLU 27 2HB GLU 27 -9.254 -4.583 -16.472 223 1HG GLU 27 1HG GLU 27 -8.428 -2.564 -18.262 224 2HG GLU 27 2HG GLU 27 -7.434 -2.301 -16.843 225 HE2 GLU 27 HE2 GLU 27 -6.277 -5.087 -19.193 226 QB GLU 27 QB GLU 27 -9.129 -3.884 -15.958 227 QG GLU 27 QG GLU 27 -7.931 -2.433 -17.553 228 H ALA 28 H ALA 28 -10.011 -1.617 -19.145 229 HA ALA 28 HA ALA 28 -11.367 -3.636 -20.787 230 1HB ALA 28 2HB ALA 28 -10.616 -0.826 -21.633 231 2HB ALA 28 1HB ALA 28 -12.106 -1.154 -20.716 232 3HB ALA 28 3HB ALA 28 -11.861 -1.900 -22.314 233 MB ALA 28 MB ALA 28 -11.528 -1.293 -21.554 234 H GLY 29 H GLY 29 -10.352 -4.066 -22.956 235 1HA GLY 29 1HA GLY 29 -8.602 -4.816 -24.150 236 2HA GLY 29 2HA GLY 29 -7.779 -3.347 -23.664 237 QA GLY 29 QA GLY 29 -8.191 -4.081 -23.907 238 H ASN 30 H ASN 30 -6.185 -5.524 -24.028 239 HA ASN 30 HA ASN 30 -5.869 -6.739 -21.422 240 1HB ASN 30 1HB ASN 30 -4.934 -7.360 -24.227 241 2HB ASN 30 2HB ASN 30 -3.922 -7.915 -22.908 242 2HD2 ASN 30 1HD2 ASN 30 -4.330 -9.838 -22.152 243 1HD2 ASN 30 2HD2 ASN 30 -5.836 -10.692 -22.195 244 QB ASN 30 QB ASN 30 -4.428 -7.638 -23.567 245 QD ASN 30 QD ASN 30 -5.083 -10.265 -22.174 246 H THR 31 H THR 31 -5.260 -3.870 -21.879 247 HA THR 31 HA THR 31 -2.366 -3.732 -22.079 248 HB THR 31 HB THR 31 -2.869 -1.259 -21.931 249 HG1 THR 31 HG1 THR 31 -5.094 -0.730 -21.602 250 1HG2 THR 31 1HG2 THR 31 -3.962 -3.087 -23.973 251 2HG2 THR 31 2HG2 THR 31 -4.930 -1.600 -23.824 252 3HG2 THR 31 3HG2 THR 31 -3.191 -1.497 -24.188 253 MG THR 31 MG THR 31 -4.028 -2.062 -23.995 254 H GLY 32 H GLY 32 -4.934 -3.672 -19.621 255 1HA GLY 32 1HA GLY 32 -4.530 -4.265 -17.407 256 2HA GLY 32 2HA GLY 32 -2.845 -3.816 -17.573 257 QA GLY 32 QA GLY 32 -3.688 -4.041 -17.490 258 H ARG 33 H ARG 33 -5.488 -1.746 -18.792 259 HA ARG 33 HA ARG 33 -4.938 0.039 -16.558 260 1HB ARG 33 1HB ARG 33 -4.984 0.549 -19.523 261 2HB ARG 33 2HB ARG 33 -5.674 1.801 -18.509 262 1HG ARG 33 1HG ARG 33 -3.638 2.349 -17.544 263 2HG ARG 33 2HG ARG 33 -3.041 0.702 -17.599 264 1HD ARG 33 2HD ARG 33 -2.826 0.949 -20.136 265 2HD ARG 33 1HD ARG 33 -1.731 1.946 -19.199 266 HE ARG 33 HE ARG 33 -3.843 3.646 -19.511 267 1HH1 ARG 33 1HH1 ARG 33 -2.125 1.620 -21.856 268 2HH1 ARG 33 2HH1 ARG 33 -2.434 2.683 -23.188 269 2HH2 ARG 33 HH2 ARG 33 -3.685 4.693 -22.819 270 QB ARG 33 QB ARG 33 -5.329 1.175 -19.016 271 QG ARG 33 QG ARG 33 -3.339 1.525 -17.571 272 QD ARG 33 QD ARG 33 -2.279 1.447 -19.667 273 QH1 ARG 33 QH1 ARG 33 -2.280 2.151 -22.522 274 H VAL 34 H VAL 34 -6.766 0.826 -15.493 275 HA VAL 34 HA VAL 34 -9.303 -0.218 -16.362 276 HB VAL 34 HB VAL 34 -8.328 1.327 -13.964 277 1HG1 VAL 34 1HG1 VAL 34 -11.150 0.661 -14.792 278 2HG1 VAL 34 2HG1 VAL 34 -10.704 0.765 -13.072 279 3HG1 VAL 34 3HG1 VAL 34 -10.495 2.179 -14.133 280 1HG2 VAL 34 1HG2 VAL 34 -7.787 -1.119 -14.197 281 2HG2 VAL 34 2HG2 VAL 34 -8.736 -0.702 -12.750 282 3HG2 VAL 34 3HG2 VAL 34 -9.536 -1.450 -14.153 283 MG1 VAL 34 MG1 VAL 34 -10.783 1.202 -13.999 284 MG2 VAL 34 MG2 VAL 34 -8.686 -1.090 -13.700 285 QG VAL 34 QG VAL 34 -9.735 0.056 -13.849 286 H LEU 35 H LEU 35 -10.517 0.805 -17.861 287 HA LEU 35 HA LEU 35 -9.969 3.400 -18.728 288 1HB LEU 35 1HB LEU 35 -11.755 1.236 -19.359 289 2HB LEU 35 2HB LEU 35 -12.639 2.749 -19.370 290 HG LEU 35 HG LEU 35 -10.070 2.299 -20.911 291 1HD1 LEU 35 1HD1 LEU 35 -11.847 0.755 -21.665 292 2HD1 LEU 35 2HD1 LEU 35 -12.910 2.153 -21.957 293 3HD1 LEU 35 3HD1 LEU 35 -11.410 1.964 -22.896 294 1HD2 LEU 35 1HD2 LEU 35 -11.597 4.640 -20.311 295 2HD2 LEU 35 2HD2 LEU 35 -10.124 4.480 -21.297 296 3HD2 LEU 35 3HD2 LEU 35 -11.725 4.304 -22.054 297 MD1 LEU 35 MD1 LEU 35 -12.056 1.624 -22.173 298 MD2 LEU 35 MD2 LEU 35 -11.149 4.475 -21.221 299 QB LEU 35 QB LEU 35 -12.197 1.993 -19.365 300 QD LEU 35 QD LEU 35 -11.602 3.049 -21.697 301 H ALA 36 H ALA 36 -11.420 2.294 -15.842 302 HA ALA 36 HA ALA 36 -12.211 3.483 -14.126 303 1HB ALA 36 1HB ALA 36 -11.026 5.466 -15.622 304 2HB ALA 36 3HB ALA 36 -11.812 5.715 -14.044 305 3HB ALA 36 2HB ALA 36 -12.713 6.028 -15.547 306 MB ALA 36 MB ALA 36 -11.850 5.736 -15.071 307 H LEU 37 H LEU 37 -13.742 4.540 -17.251 308 HA LEU 37 HA LEU 37 -16.256 4.998 -16.427 309 1HB LEU 37 1HB LEU 37 -15.010 3.989 -18.905 310 2HB LEU 37 2HB LEU 37 -16.731 3.691 -18.758 311 HG LEU 37 HG LEU 37 -15.770 5.886 -19.886 312 1HD1 LEU 37 1HD1 LEU 37 -18.256 5.205 -18.524 313 2HD1 LEU 37 2HD1 LEU 37 -17.972 6.961 -18.590 314 3HD1 LEU 37 3HD1 LEU 37 -17.984 6.003 -20.091 315 1HD2 LEU 37 1HD2 LEU 37 -14.702 6.333 -17.466 316 2HD2 LEU 37 2HD2 LEU 37 -15.200 7.637 -18.569 317 3HD2 LEU 37 3HD2 LEU 37 -16.273 7.138 -17.239 318 MD1 LEU 37 MD1 LEU 37 -18.071 6.056 -19.068 319 MD2 LEU 37 MD2 LEU 37 -15.392 7.036 -17.758 320 QB LEU 37 QB LEU 37 -15.870 3.840 -18.832 321 QD LEU 37 QD LEU 37 -16.731 6.546 -18.413 322 H ASP 38 H ASP 38 -14.868 1.741 -17.215 323 HA ASP 38 HA ASP 38 -17.210 0.385 -16.594 324 1HB ASP 38 1HB ASP 38 -14.531 -0.224 -17.426 325 2HB ASP 38 2HB ASP 38 -14.854 -1.214 -16.016 326 HD2 ASP 38 HD2 ASP 38 -17.783 -2.405 -17.336 327 QB ASP 38 QB ASP 38 -14.692 -0.719 -16.721 328 H ALA 39 H ALA 39 -14.321 1.434 -14.725 329 HA ALA 39 HA ALA 39 -14.592 -0.068 -12.451 330 1HB ALA 39 2HB ALA 39 -13.848 2.875 -12.487 331 2HB ALA 39 1HB ALA 39 -12.779 1.610 -13.140 332 3HB ALA 39 3HB ALA 39 -13.229 1.593 -11.418 333 MB ALA 39 MB ALA 39 -13.286 2.026 -12.348 334 H ALA 40 H ALA 40 -16.210 3.057 -13.317 335 HA ALA 40 HA ALA 40 -17.618 3.267 -10.897 336 1HB ALA 40 3HB ALA 40 -17.223 5.170 -12.374 337 2HB ALA 40 1HB ALA 40 -18.152 4.390 -13.677 338 3HB ALA 40 2HB ALA 40 -18.975 4.919 -12.190 339 MB ALA 40 MB ALA 40 -18.117 4.826 -12.747 340 H ALA 41 H ALA 41 -18.069 1.356 -13.830 341 HA ALA 41 HA ALA 41 -20.847 0.892 -13.438 342 1HB ALA 41 2HB ALA 41 -19.506 -1.191 -14.932 343 2HB ALA 41 3HB ALA 41 -20.608 0.078 -15.518 344 3HB ALA 41 1HB ALA 41 -18.861 0.398 -15.408 345 MB ALA 41 MB ALA 41 -19.658 -0.238 -15.286 346 H PHE 42 H PHE 42 -17.800 -0.933 -12.716 347 HA PHE 42 HA PHE 42 -19.104 -3.145 -11.605 348 1HB PHE 42 1HB PHE 42 -16.788 -3.338 -12.249 349 2HB PHE 42 2HB PHE 42 -16.363 -1.814 -11.496 350 HD1 PHE 42 HD1 PHE 42 -17.695 -5.161 -10.495 351 HD2 PHE 42 HD2 PHE 42 -15.141 -1.907 -9.548 352 HE1 PHE 42 HE1 PHE 42 -16.882 -6.391 -8.464 353 HE2 PHE 42 HE2 PHE 42 -14.327 -3.138 -7.517 354 HZ PHE 42 HZ PHE 42 -15.207 -5.365 -6.999 355 QB PHE 42 QB PHE 42 -16.575 -2.576 -11.872 356 QD PHE 42 QD PHE 42 -16.418 -3.534 -10.021 357 QE PHE 42 QE PHE 42 -15.604 -4.764 -7.991 358 QR PHE 42 QR PHE 42 -16.011 -4.149 -9.006 359 H LEU 43 H LEU 43 -17.834 -0.079 -10.185 360 HA LEU 43 HA LEU 43 -18.041 -0.712 -7.528 361 1HB LEU 43 1HB LEU 43 -18.445 1.874 -9.020 362 2HB LEU 43 2HB LEU 43 -18.489 1.784 -7.271 363 HG LEU 43 HG LEU 43 -16.123 0.874 -8.926 364 1HD1 LEU 43 1HD1 LEU 43 -16.724 3.574 -7.712 365 2HD1 LEU 43 2HD1 LEU 43 -15.075 3.037 -8.115 366 3HD1 LEU 43 3HD1 LEU 43 -16.303 3.181 -9.396 367 1HD2 LEU 43 1HD2 LEU 43 -16.784 0.446 -6.233 368 2HD2 LEU 43 2HD2 LEU 43 -15.214 0.172 -7.027 369 3HD2 LEU 43 3HD2 LEU 43 -15.547 1.726 -6.227 370 MD1 LEU 43 MD1 LEU 43 -16.034 3.264 -8.407 371 MD2 LEU 43 MD2 LEU 43 -15.848 0.781 -6.495 372 QB LEU 43 QB LEU 43 -18.467 1.829 -8.145 373 QD LEU 43 QD LEU 43 -15.941 2.023 -7.451 374 H LYS 44 H LYS 44 -20.601 0.508 -9.775 375 HA LYS 44 HA LYS 44 -22.620 0.803 -7.943 376 1HB LYS 44 1HB LYS 44 -22.451 0.277 -10.871 377 2HB LYS 44 2HB LYS 44 -24.003 0.002 -10.108 378 1HG LYS 44 1HG LYS 44 -23.319 2.409 -8.964 379 2HG LYS 44 2HG LYS 44 -22.514 2.561 -10.513 380 1HD LYS 44 1HD LYS 44 -25.173 1.453 -10.924 381 2HD LYS 44 2HD LYS 44 -25.299 2.902 -9.946 382 1HE LYS 44 1HE LYS 44 -23.528 3.803 -11.814 383 2HE LYS 44 2HE LYS 44 -24.353 2.596 -12.780 384 QB LYS 44 QB LYS 44 -23.227 0.140 -10.489 385 QD LYS 44 QD LYS 44 -25.236 2.178 -10.435 386 QG LYS 44 QG LYS 44 -22.917 2.485 -9.739 387 QE LYS 44 QE LYS 44 -23.941 3.200 -12.297 388 QZ LYS 44 QZ LYS 44 -26.119 4.068 -12.373 389 H LYS 45 H LYS 45 -20.993 -2.099 -8.995 390 HA LYS 45 HA LYS 45 -23.168 -3.835 -8.282 391 1HB LYS 45 2HB LYS 45 -21.704 -5.613 -8.916 392 2HB LYS 45 1HB LYS 45 -20.285 -4.591 -8.804 393 1HG LYS 45 1HG LYS 45 -22.549 -3.896 -10.711 394 2HG LYS 45 2HG LYS 45 -20.891 -3.329 -10.751 395 1HD LYS 45 1HD LYS 45 -20.076 -5.556 -11.382 396 2HD LYS 45 2HD LYS 45 -21.666 -6.255 -11.152 397 1HE LYS 45 1HE LYS 45 -21.596 -3.942 -13.034 398 2HE LYS 45 2HE LYS 45 -20.694 -5.344 -13.573 399 QB LYS 45 QB LYS 45 -20.995 -5.102 -8.860 400 QD LYS 45 QD LYS 45 -20.871 -5.905 -11.267 401 QG LYS 45 QG LYS 45 -21.720 -3.613 -10.731 402 QE LYS 45 QE LYS 45 -21.145 -4.643 -13.303 403 QZ LYS 45 QZ LYS 45 -23.099 -5.604 -13.796 404 H SER 46 H SER 46 -21.696 -1.780 -6.384 405 HA SER 46 HA SER 46 -20.725 -3.629 -4.408 406 1HB SER 46 2HB SER 46 -19.588 -1.426 -4.878 407 2HB SER 46 1HB SER 46 -19.995 -1.672 -3.191 408 HG SER 46 HG SER 46 -21.193 0.089 -5.106 409 QB SER 46 QB SER 46 -19.792 -1.549 -4.035 410 H GLY 47 H GLY 47 -22.951 -0.753 -4.209 411 1HA GLY 47 1HA GLY 47 -25.311 -1.838 -3.568 412 2HA GLY 47 2HA GLY 47 -24.430 -2.038 -2.066 413 QA GLY 47 QA GLY 47 -24.870 -1.938 -2.817 414 H LEU 48 H LEU 48 -22.739 0.400 -2.454 415 HA LEU 48 HA LEU 48 -24.515 2.244 -1.254 416 1HB LEU 48 1HB LEU 48 -21.644 2.280 -2.122 417 2HB LEU 48 2HB LEU 48 -22.431 3.762 -1.617 418 HG LEU 48 HG LEU 48 -22.594 1.369 0.180 419 1HD1 LEU 48 1HD1 LEU 48 -20.119 2.301 -0.758 420 2HD1 LEU 48 2HD1 LEU 48 -20.314 3.003 0.866 421 3HD1 LEU 48 3HD1 LEU 48 -20.427 1.241 0.638 422 1HD2 LEU 48 1HD2 LEU 48 -23.768 3.650 0.508 423 2HD2 LEU 48 2HD2 LEU 48 -22.917 2.914 1.886 424 3HD2 LEU 48 3HD2 LEU 48 -22.154 4.238 0.974 425 MD1 LEU 48 MD1 LEU 48 -20.286 2.182 0.249 426 MD2 LEU 48 MD2 LEU 48 -22.947 3.601 1.123 427 QB LEU 48 QB LEU 48 -22.038 3.021 -1.869 428 QD LEU 48 QD LEU 48 -21.616 2.891 0.686 429 HA PRO 49 HA PRO 49 -25.867 4.477 -4.689 430 1HB PRO 49 1HB PRO 49 -26.062 7.037 -3.750 431 2HB PRO 49 2HB PRO 49 -27.255 5.799 -3.412 432 1HG PRO 49 1HG PRO 49 -25.179 6.909 -1.624 433 2HG PRO 49 2HG PRO 49 -26.622 6.009 -1.204 434 1HD PRO 49 1HD PRO 49 -23.933 5.013 -1.256 435 2HD PRO 49 2HD PRO 49 -25.388 4.086 -0.949 436 QB PRO 49 QB PRO 49 -26.658 6.418 -3.581 437 QG PRO 49 QG PRO 49 -25.901 6.459 -1.414 438 QD PRO 49 QD PRO 49 -24.660 4.550 -1.102 439 H ASP 50 H ASP 50 -25.529 6.860 -5.849 440 HA ASP 50 HA ASP 50 -22.814 6.534 -6.719 441 1HB ASP 50 1HB ASP 50 -24.994 6.971 -8.159 442 2HB ASP 50 2HB ASP 50 -24.745 8.649 -7.722 443 HD2 ASP 50 HD2 ASP 50 -24.469 8.272 -10.406 444 QB ASP 50 QB ASP 50 -24.869 7.810 -7.940 445 H LEU 51 H LEU 51 -24.834 8.603 -4.702 446 HA LEU 51 HA LEU 51 -23.438 11.000 -4.861 447 1HB LEU 51 1HB LEU 51 -24.407 11.333 -2.531 448 2HB LEU 51 2HB LEU 51 -25.514 11.108 -3.870 449 HG LEU 51 HG LEU 51 -24.989 8.531 -2.770 450 1HD1 LEU 51 1HD1 LEU 51 -24.539 10.410 -0.787 451 2HD1 LEU 51 2HD1 LEU 51 -26.234 9.930 -0.533 452 3HD1 LEU 51 3HD1 LEU 51 -24.953 8.695 -0.548 453 1HD2 LEU 51 1HD2 LEU 51 -27.362 10.368 -2.973 454 2HD2 LEU 51 2HD2 LEU 51 -27.023 8.853 -3.843 455 3HD2 LEU 51 3HD2 LEU 51 -27.480 8.809 -2.123 456 MD1 LEU 51 MD1 LEU 51 -25.242 9.678 -0.623 457 MD2 LEU 51 MD2 LEU 51 -27.288 9.343 -2.980 458 QB LEU 51 QB LEU 51 -24.961 11.221 -3.200 459 QD LEU 51 QD LEU 51 -26.265 9.511 -1.801 460 H ILE 52 H ILE 52 -23.299 8.883 -1.934 461 HA ILE 52 HA ILE 52 -20.939 9.857 -0.989 462 HB ILE 52 HB ILE 52 -22.278 7.179 -0.730 463 1HG1 ILE 52 1HG1 ILE 52 -23.106 9.486 0.250 464 2HG1 ILE 52 2HG1 ILE 52 -23.234 8.001 1.171 465 1HG2 ILE 52 1HG2 ILE 52 -19.635 8.066 0.396 466 2HG2 ILE 52 2HG2 ILE 52 -20.683 6.948 1.303 467 3HG2 ILE 52 3HG2 ILE 52 -20.099 6.503 -0.319 468 1HD1 ILE 52 1HD1 ILE 52 -20.763 9.757 1.385 469 2HD1 ILE 52 2HD1 ILE 52 -22.216 10.073 2.364 470 3HD1 ILE 52 3HD1 ILE 52 -21.350 8.527 2.530 471 MG ILE 52 MG ILE 52 -20.139 7.172 0.460 472 MD ILE 52 MD ILE 52 -21.443 9.452 2.093 473 QG ILE 52 QG ILE 52 -23.170 8.744 0.711 474 H LEU 53 H LEU 53 -21.502 7.429 -3.550 475 HA LEU 53 HA LEU 53 -18.902 6.446 -3.694 476 1HB LEU 53 1HB LEU 53 -21.323 6.471 -5.374 477 2HB LEU 53 2HB LEU 53 -19.819 6.274 -6.251 478 HG LEU 53 HG LEU 53 -20.668 4.535 -3.919 479 1HD1 LEU 53 1HD1 LEU 53 -21.707 4.565 -6.548 480 2HD1 LEU 53 2HD1 LEU 53 -20.636 3.148 -6.433 481 3HD1 LEU 53 3HD1 LEU 53 -21.968 3.353 -5.271 482 1HD2 LEU 53 1HD2 LEU 53 -18.156 4.884 -4.692 483 2HD2 LEU 53 2HD2 LEU 53 -18.781 3.288 -4.213 484 3HD2 LEU 53 3HD2 LEU 53 -18.631 3.704 -5.937 485 MD1 LEU 53 MD1 LEU 53 -21.437 3.689 -6.084 486 MD2 LEU 53 MD2 LEU 53 -18.523 3.959 -4.947 487 QB LEU 53 QB LEU 53 -20.571 6.372 -5.813 488 QD LEU 53 QD LEU 53 -19.980 3.824 -5.516 489 H GLY 54 H GLY 54 -20.505 9.201 -5.419 490 1HA GLY 54 1HA GLY 54 -18.540 10.010 -7.099 491 2HA GLY 54 2HA GLY 54 -19.603 11.103 -6.235 492 QA GLY 54 QA GLY 54 -19.071 10.557 -6.667 493 H LYS 55 H LYS 55 -18.698 10.496 -3.526 494 HA LYS 55 HA LYS 55 -16.512 12.260 -3.412 495 1HB LYS 55 1HB LYS 55 -17.869 10.499 -1.360 496 2HB LYS 55 2HB LYS 55 -16.530 11.555 -0.960 497 1HG LYS 55 1HG LYS 55 -18.116 13.309 -2.358 498 2HG LYS 55 2HG LYS 55 -19.345 12.252 -1.691 499 1HD LYS 55 1HD LYS 55 -19.137 13.246 0.334 500 2HD LYS 55 2HD LYS 55 -17.448 12.785 0.408 501 1HE LYS 55 1HE LYS 55 -17.613 15.222 0.595 502 2HE LYS 55 2HE LYS 55 -16.840 14.822 -0.926 503 QB LYS 55 QB LYS 55 -17.199 11.027 -1.160 504 QD LYS 55 QD LYS 55 -18.292 13.015 0.371 505 QG LYS 55 QG LYS 55 -18.730 12.780 -2.024 506 QE LYS 55 QE LYS 55 -17.227 15.022 -0.166 507 QZ LYS 55 QZ LYS 55 -19.030 15.431 -1.676 508 H ILE 56 H ILE 56 -16.840 8.681 -3.226 509 HA ILE 56 HA ILE 56 -14.232 8.131 -2.464 510 HB ILE 56 HB ILE 56 -16.274 6.594 -4.057 511 1HG1 ILE 56 1HG1 ILE 56 -15.351 6.516 -1.174 512 2HG1 ILE 56 2HG1 ILE 56 -16.928 6.985 -1.777 513 1HG2 ILE 56 1HG2 ILE 56 -13.440 6.034 -3.744 514 2HG2 ILE 56 2HG2 ILE 56 -14.451 4.754 -3.030 515 3HG2 ILE 56 3HG2 ILE 56 -14.669 5.213 -4.736 516 1HD1 ILE 56 1HD1 ILE 56 -16.788 4.508 -2.884 517 2HD1 ILE 56 2HD1 ILE 56 -15.747 4.251 -1.464 518 3HD1 ILE 56 3HD1 ILE 56 -17.427 4.796 -1.248 519 MG ILE 56 MG ILE 56 -14.187 5.334 -3.837 520 MD ILE 56 MD ILE 56 -16.654 4.519 -1.865 521 QG ILE 56 QG ILE 56 -16.140 6.750 -1.476 522 H TRP 57 H TRP 57 -15.672 8.272 -5.798 523 HA TRP 57 HA TRP 57 -13.325 7.820 -7.174 524 1HB TRP 57 1HB TRP 57 -15.678 7.855 -8.058 525 2HB TRP 57 2HB TRP 57 -15.593 9.606 -8.061 526 HD1 TRP 57 HD1 TRP 57 -13.625 10.679 -9.783 527 HE1 TRP 57 HE1 TRP 57 -12.724 9.876 -12.130 528 HE3 TRP 57 HE3 TRP 57 -15.235 5.875 -9.347 529 HZ2 TRP 57 HZ2 TRP 57 -12.785 7.379 -13.510 530 HZ3 TRP 57 HZ3 TRP 57 -14.774 4.320 -11.239 531 HH2 TRP 57 HH2 TRP 57 -13.595 5.003 -13.268 532 QB TRP 57 QB TRP 57 -15.635 8.731 -8.060 533 H ASP 58 H ASP 58 -14.884 10.963 -6.207 534 HA ASP 58 HA ASP 58 -13.140 12.692 -7.219 535 1HB ASP 58 1HB ASP 58 -15.208 12.987 -5.600 536 2HB ASP 58 2HB ASP 58 -14.008 12.982 -4.324 537 HD2 ASP 58 HD2 ASP 58 -15.529 15.412 -4.896 538 QB ASP 58 QB ASP 58 -14.608 12.984 -4.962 539 H LEU 59 H LEU 59 -12.815 10.751 -4.182 540 HA LEU 59 HA LEU 59 -10.277 11.916 -3.536 541 1HB LEU 59 1HB LEU 59 -11.752 11.279 -1.768 542 2HB LEU 59 2HB LEU 59 -11.890 9.644 -2.383 543 HG LEU 59 HG LEU 59 -10.388 10.107 -0.329 544 1HD1 LEU 59 1HD1 LEU 59 -10.243 8.209 -2.473 545 2HD1 LEU 59 2HD1 LEU 59 -8.604 8.526 -1.854 546 3HD1 LEU 59 3HD1 LEU 59 -9.887 7.989 -0.743 547 1HD2 LEU 59 1HD2 LEU 59 -9.194 11.956 -1.869 548 2HD2 LEU 59 2HD2 LEU 59 -8.372 11.112 -0.535 549 3HD2 LEU 59 3HD2 LEU 59 -8.140 10.563 -2.213 550 MD1 LEU 59 MD1 LEU 59 -9.578 8.241 -1.690 551 MD2 LEU 59 MD2 LEU 59 -8.569 11.210 -1.539 552 QB LEU 59 QB LEU 59 -11.821 10.461 -2.075 553 QD LEU 59 QD LEU 59 -9.074 9.726 -1.615 554 H ALA 60 H ALA 60 -11.525 9.157 -5.368 555 HA ALA 60 HA ALA 60 -9.106 7.684 -5.359 556 1HB ALA 60 1HB ALA 60 -11.738 7.262 -6.107 557 2HB ALA 60 3HB ALA 60 -10.379 6.164 -6.448 558 3HB ALA 60 2HB ALA 60 -10.898 7.346 -7.674 559 MB ALA 60 MB ALA 60 -11.005 6.924 -6.743 560 H ASP 61 H ASP 61 -10.733 9.519 -8.050 561 HA ASP 61 HA ASP 61 -8.867 9.489 -9.878 562 1HB ASP 61 1HB ASP 61 -10.976 10.791 -10.036 563 2HB ASP 61 2HB ASP 61 -10.343 11.987 -8.922 564 HD2 ASP 61 HD2 ASP 61 -10.361 11.381 -12.410 565 QB ASP 61 QB ASP 61 -10.659 11.389 -9.479 566 H THR 62 H THR 62 -6.709 10.158 -10.104 567 HA THR 62 HA THR 62 -5.712 12.400 -8.605 568 HB THR 62 HB THR 62 -4.938 9.518 -7.954 569 HG1 THR 62 HG1 THR 62 -6.301 10.226 -6.351 570 1HG2 THR 62 1HG2 THR 62 -3.379 12.095 -7.663 571 2HG2 THR 62 2HG2 THR 62 -3.354 10.939 -6.310 572 3HG2 THR 62 3HG2 THR 62 -2.774 10.440 -7.917 573 MG THR 62 MG THR 62 -3.169 11.158 -7.296 574 H ASP 63 H ASP 63 -5.013 9.531 -10.672 575 HA ASP 63 HA ASP 63 -2.636 10.470 -11.671 576 1HB ASP 63 1HB ASP 63 -4.133 8.218 -12.010 577 2HB ASP 63 2HB ASP 63 -4.499 9.016 -13.527 578 HD2 ASP 63 HD2 ASP 63 -2.199 7.732 -15.063 579 QB ASP 63 QB ASP 63 -4.316 8.617 -12.769 580 H GLY 64 H GLY 64 -6.065 10.870 -12.785 581 1HA GLY 64 1HA GLY 64 -7.008 12.590 -13.932 582 2HA GLY 64 2HA GLY 64 -5.451 13.388 -14.035 583 QA GLY 64 QA GLY 64 -6.229 12.989 -13.983 584 H LYS 65 H LYS 65 -7.185 10.458 -15.309 585 HA LYS 65 HA LYS 65 -6.598 11.198 -17.982 586 1HB LYS 65 1HB LYS 65 -5.175 9.259 -18.550 587 2HB LYS 65 2HB LYS 65 -4.379 10.402 -17.487 588 1HG LYS 65 1HG LYS 65 -4.300 8.923 -15.723 589 2HG LYS 65 2HG LYS 65 -5.886 8.261 -16.067 590 1HD LYS 65 1HD LYS 65 -4.350 6.481 -16.522 591 2HD LYS 65 2HD LYS 65 -4.839 7.080 -18.094 592 1HE LYS 65 1HE LYS 65 -2.520 8.573 -17.095 593 2HE LYS 65 2HE LYS 65 -2.189 6.852 -17.106 594 QB LYS 65 QB LYS 65 -4.777 9.830 -18.018 595 QD LYS 65 QD LYS 65 -4.594 6.781 -17.308 596 QG LYS 65 QG LYS 65 -5.093 8.592 -15.895 597 QE LYS 65 QE LYS 65 -2.355 7.712 -17.101 598 QZ LYS 65 QZ LYS 65 -2.708 8.137 -19.381 599 H GLY 66 H GLY 66 -8.862 10.584 -16.182 600 1HA GLY 66 1HA GLY 66 -10.720 9.305 -16.086 601 2HA GLY 66 2HA GLY 66 -10.549 9.250 -17.830 602 QA GLY 66 QA GLY 66 -10.635 9.278 -16.958 603 H VAL 67 H VAL 67 -8.045 7.864 -15.716 604 HA VAL 67 HA VAL 67 -9.128 5.191 -16.191 605 HB VAL 67 HB VAL 67 -6.352 6.154 -16.903 606 1HG1 VAL 67 1HG1 VAL 67 -6.826 3.746 -15.769 607 2HG1 VAL 67 2HG1 VAL 67 -7.153 3.350 -17.473 608 3HG1 VAL 67 3HG1 VAL 67 -5.574 4.023 -17.004 609 1HG2 VAL 67 1HG2 VAL 67 -8.430 6.445 -18.480 610 2HG2 VAL 67 2HG2 VAL 67 -6.892 5.829 -19.131 611 3HG2 VAL 67 3HG2 VAL 67 -8.217 4.700 -18.759 612 MG1 VAL 67 MG1 VAL 67 -6.518 3.707 -16.749 613 MG2 VAL 67 MG2 VAL 67 -7.846 5.658 -18.790 614 QG VAL 67 QG VAL 67 -7.182 4.682 -17.770 615 H LEU 68 H LEU 68 -8.624 3.688 -14.555 616 HA LEU 68 HA LEU 68 -7.518 4.947 -12.161 617 1HB LEU 68 1HB LEU 68 -9.032 2.349 -12.348 618 2HB LEU 68 2HB LEU 68 -8.687 3.297 -10.915 619 HG LEU 68 HG LEU 68 -10.571 4.043 -13.166 620 1HD1 LEU 68 1HD1 LEU 68 -11.370 2.292 -11.597 621 2HD1 LEU 68 2HD1 LEU 68 -11.158 3.442 -10.255 622 3HD1 LEU 68 3HD1 LEU 68 -12.335 3.787 -11.545 623 1HD2 LEU 68 1HD2 LEU 68 -9.282 5.695 -11.105 624 2HD2 LEU 68 2HD2 LEU 68 -10.092 6.160 -12.621 625 3HD2 LEU 68 3HD2 LEU 68 -11.056 5.840 -11.159 626 MD1 LEU 68 MD1 LEU 68 -11.621 3.174 -11.133 627 MD2 LEU 68 MD2 LEU 68 -10.143 5.899 -11.629 628 QB LEU 68 QB LEU 68 -8.860 2.823 -11.631 629 QD LEU 68 QD LEU 68 -10.882 4.536 -11.381 630 H SER 69 H SER 69 -6.369 3.169 -10.675 631 HA SER 69 HA SER 69 -4.634 1.607 -12.411 632 1HB SER 69 1HB SER 69 -3.464 2.932 -9.972 633 2HB SER 69 2HB SER 69 -2.665 2.432 -11.449 634 HG SER 69 HG SER 69 -4.126 4.813 -10.893 635 QB SER 69 QB SER 69 -3.064 2.682 -10.710 636 H LYS 70 H LYS 70 -3.238 0.028 -10.914 637 HA LYS 70 HA LYS 70 -4.915 -1.737 -9.714 638 1HB LYS 70 1HB LYS 70 -2.727 -2.437 -8.462 639 2HB LYS 70 2HB LYS 70 -2.845 -2.602 -10.202 640 1HG LYS 70 1HG LYS 70 -1.907 0.080 -9.397 641 2HG LYS 70 2HG LYS 70 -0.858 -1.193 -8.805 642 1HD LYS 70 1HD LYS 70 -0.444 -2.039 -11.017 643 2HD LYS 70 2HD LYS 70 -1.794 -1.154 -11.700 644 1HE LYS 70 2HE LYS 70 -0.274 0.899 -10.598 645 2HE LYS 70 1HE LYS 70 -0.261 0.429 -12.286 646 QB LYS 70 QB LYS 70 -2.786 -2.520 -9.332 647 QD LYS 70 QD LYS 70 -1.119 -1.597 -11.359 648 QG LYS 70 QG LYS 70 -1.383 -0.557 -9.101 649 QE LYS 70 QE LYS 70 -0.268 0.664 -11.442 650 QZ LYS 70 QZ LYS 70 1.846 -0.005 -11.197 651 H GLN 71 H GLN 71 -2.516 -0.180 -7.549 652 HA GLN 71 HA GLN 71 -3.814 -0.464 -5.276 653 1HB GLN 71 1HB GLN 71 -1.724 1.254 -6.260 654 2HB GLN 71 2HB GLN 71 -2.743 2.211 -5.204 655 1HG GLN 71 1HG GLN 71 -2.182 -0.492 -4.129 656 2HG GLN 71 2HG GLN 71 -0.731 0.459 -4.375 657 2HE2 GLN 71 1HE2 GLN 71 -0.168 1.113 -2.426 658 1HE2 GLN 71 2HE2 GLN 71 -1.153 1.992 -1.305 659 QB GLN 71 QB GLN 71 -2.233 1.732 -5.732 660 QG GLN 71 QG GLN 71 -1.457 -0.016 -4.252 661 QE GLN 71 QE GLN 71 -0.660 1.553 -1.866 662 H GLU 72 H GLU 72 -4.189 2.481 -7.384 663 HA GLU 72 HA GLU 72 -5.975 3.847 -5.963 664 1HB GLU 72 1HB GLU 72 -5.597 3.445 -8.922 665 2HB GLU 72 2HB GLU 72 -7.001 4.352 -8.395 666 1HG GLU 72 1HG GLU 72 -4.531 5.160 -6.982 667 2HG GLU 72 2HG GLU 72 -4.413 5.374 -8.717 668 HE2 GLU 72 HE2 GLU 72 -5.251 6.891 -6.087 669 QB GLU 72 QB GLU 72 -6.299 3.898 -8.659 670 QG GLU 72 QG GLU 72 -4.472 5.267 -7.850 671 H PHE 73 H PHE 73 -7.114 1.706 -8.675 672 HA PHE 73 HA PHE 73 -9.739 1.647 -7.969 673 1HB PHE 73 1HB PHE 73 -9.025 0.673 -10.056 674 2HB PHE 73 2HB PHE 73 -7.764 -0.268 -9.285 675 HD1 PHE 73 HD1 PHE 73 -8.602 -2.144 -7.648 676 HD2 PHE 73 HD2 PHE 73 -10.994 -0.378 -10.676 677 HE1 PHE 73 HE1 PHE 73 -10.113 -4.148 -7.624 678 HE2 PHE 73 HE2 PHE 73 -12.505 -2.382 -10.651 679 HZ PHE 73 HZ PHE 73 -12.046 -4.243 -9.125 680 QB PHE 73 QB PHE 73 -8.395 0.203 -9.670 681 QD PHE 73 QD PHE 73 -9.798 -1.261 -9.162 682 QE PHE 73 QE PHE 73 -11.309 -3.265 -9.137 683 QR PHE 73 QR PHE 73 -10.553 -2.263 -9.150 684 H PHE 74 H PHE 74 -7.024 -0.279 -6.635 685 HA PHE 74 HA PHE 74 -8.692 -2.077 -5.223 686 1HB PHE 74 1HB PHE 74 -5.850 -1.397 -5.656 687 2HB PHE 74 2HB PHE 74 -6.127 -1.763 -3.965 688 HD1 PHE 74 HD1 PHE 74 -6.670 -3.133 -7.379 689 HD2 PHE 74 HD2 PHE 74 -6.219 -3.980 -3.246 690 HE1 PHE 74 HE1 PHE 74 -6.570 -5.588 -7.893 691 HE2 PHE 74 HE2 PHE 74 -6.119 -6.435 -3.760 692 HZ PHE 74 HZ PHE 74 -6.296 -7.210 -6.077 693 QB PHE 74 QB PHE 74 -5.988 -1.580 -4.811 694 QD PHE 74 QD PHE 74 -6.445 -3.557 -5.312 695 QE PHE 74 QE PHE 74 -6.345 -6.011 -5.827 696 QR PHE 74 QR PHE 74 -6.395 -4.784 -5.569 697 H VAL 75 H VAL 75 -7.708 1.230 -4.715 698 HA VAL 75 HA VAL 75 -7.971 1.099 -1.850 699 HB VAL 75 HB VAL 75 -7.052 2.978 -3.888 700 1HG1 VAL 75 1HG1 VAL 75 -8.817 3.960 -1.645 701 2HG1 VAL 75 2HG1 VAL 75 -7.507 4.970 -2.301 702 3HG1 VAL 75 3HG1 VAL 75 -8.823 4.418 -3.365 703 1HG2 VAL 75 1HG2 VAL 75 -6.367 2.103 -1.132 704 2HG2 VAL 75 2HG2 VAL 75 -5.322 2.377 -2.546 705 3HG2 VAL 75 3HG2 VAL 75 -5.888 3.758 -1.578 706 MG1 VAL 75 MG1 VAL 75 -8.382 4.449 -2.437 707 MG2 VAL 75 MG2 VAL 75 -5.859 2.746 -1.752 708 QG VAL 75 QG VAL 75 -7.121 3.598 -2.094 709 H ALA 76 H ALA 76 -9.751 2.704 -4.586 710 HA ALA 76 HA ALA 76 -11.849 3.683 -3.126 711 1HB ALA 76 3HB ALA 76 -12.857 4.038 -5.191 712 2HB ALA 76 1HB ALA 76 -11.158 3.824 -5.676 713 3HB ALA 76 2HB ALA 76 -12.309 2.477 -5.847 714 MB ALA 76 MB ALA 76 -12.108 3.447 -5.571 715 H LEU 77 H LEU 77 -11.470 0.408 -4.631 716 HA LEU 77 HA LEU 77 -13.921 -0.625 -4.075 717 1HB LEU 77 1HB LEU 77 -11.277 -1.599 -4.684 718 2HB LEU 77 2HB LEU 77 -12.059 -2.665 -3.534 719 HG LEU 77 HG LEU 77 -13.026 -1.897 -6.294 720 1HD1 LEU 77 1HD1 LEU 77 -11.280 -3.666 -6.092 721 2HD1 LEU 77 2HD1 LEU 77 -12.423 -4.621 -5.117 722 3HD1 LEU 77 3HD1 LEU 77 -12.809 -4.229 -6.810 723 1HD2 LEU 77 1HD2 LEU 77 -14.553 -2.926 -3.967 724 2HD2 LEU 77 2HD2 LEU 77 -15.088 -1.968 -5.369 725 3HD2 LEU 77 3HD2 LEU 77 -14.845 -3.724 -5.531 726 MD1 LEU 77 MD1 LEU 77 -12.171 -4.172 -6.006 727 MD2 LEU 77 MD2 LEU 77 -14.828 -2.873 -4.956 728 QB LEU 77 QB LEU 77 -11.668 -2.132 -4.109 729 QD LEU 77 QD LEU 77 -13.499 -3.522 -5.481 730 H ARG 78 H ARG 78 -11.031 -1.115 -1.920 731 HA ARG 78 HA ARG 78 -12.473 -2.089 0.171 732 1HB ARG 78 1HB ARG 78 -9.827 -0.599 0.001 733 2HB ARG 78 2HB ARG 78 -10.444 -1.115 1.557 734 1HG ARG 78 1HG ARG 78 -10.000 -2.969 -0.831 735 2HG ARG 78 2HG ARG 78 -8.885 -2.791 0.509 736 1HD ARG 78 2HD ARG 78 -11.219 -3.302 1.879 737 2HD ARG 78 1HD ARG 78 -10.053 -4.532 1.434 738 HE ARG 78 HE ARG 78 -12.088 -3.900 -0.619 739 1HH1 ARG 78 1HH1 ARG 78 -11.103 -6.052 2.019 740 2HH1 ARG 78 2HH1 ARG 78 -12.147 -7.341 1.522 741 2HH2 ARG 78 HH2 ARG 78 -13.527 -7.055 -0.416 742 QB ARG 78 QB ARG 78 -10.135 -0.857 0.779 743 QG ARG 78 QG ARG 78 -9.442 -2.880 -0.161 744 QD ARG 78 QD ARG 78 -10.636 -3.917 1.656 745 QH1 ARG 78 QH1 ARG 78 -11.625 -6.697 1.771 746 H LEU 79 H LEU 79 -11.924 1.259 -0.900 747 HA LEU 79 HA LEU 79 -12.512 2.614 1.439 748 1HB LEU 79 1HB LEU 79 -11.686 3.362 -0.937 749 2HB LEU 79 2HB LEU 79 -13.392 3.630 -1.234 750 HG LEU 79 HG LEU 79 -11.903 4.861 1.097 751 1HD1 LEU 79 1HD1 LEU 79 -11.395 5.437 -1.549 752 2HD1 LEU 79 2HD1 LEU 79 -12.614 6.656 -1.104 753 3HD1 LEU 79 3HD1 LEU 79 -11.107 6.521 -0.167 754 1HD2 LEU 79 1HD2 LEU 79 -14.678 5.059 0.016 755 2HD2 LEU 79 2HD2 LEU 79 -14.093 5.065 1.698 756 3HD2 LEU 79 3HD2 LEU 79 -13.929 6.525 0.693 757 MD1 LEU 79 MD1 LEU 79 -11.706 6.205 -0.940 758 MD2 LEU 79 MD2 LEU 79 -14.234 5.549 0.802 759 QB LEU 79 QB LEU 79 -12.539 3.496 -1.086 760 QD LEU 79 QD LEU 79 -12.970 5.877 -0.069 761 H VAL 80 H VAL 80 -14.665 1.200 -1.077 762 HA VAL 80 HA VAL 80 -17.046 2.277 -0.171 763 HB VAL 80 HB VAL 80 -16.427 -0.372 -1.490 764 1HG1 VAL 80 1HG1 VAL 80 -18.866 0.474 -0.336 765 2HG1 VAL 80 2HG1 VAL 80 -19.052 0.660 -2.097 766 3HG1 VAL 80 3HG1 VAL 80 -18.588 -0.916 -1.413 767 1HG2 VAL 80 1HG2 VAL 80 -15.753 1.797 -2.650 768 2HG2 VAL 80 2HG2 VAL 80 -16.821 0.706 -3.564 769 3HG2 VAL 80 3HG2 VAL 80 -17.492 2.154 -2.776 770 MG1 VAL 80 MG1 VAL 80 -18.835 0.073 -1.282 771 MG2 VAL 80 MG2 VAL 80 -16.689 1.552 -2.997 772 QG VAL 80 QG VAL 80 -17.762 0.812 -2.139 773 H ALA 81 H ALA 81 -15.147 -0.558 0.949 774 HA ALA 81 HA ALA 81 -17.118 -1.592 2.651 775 1HB ALA 81 1HB ALA 81 -14.729 -2.446 1.750 776 2HB ALA 81 3HB ALA 81 -15.481 -3.098 3.226 777 3HB ALA 81 2HB ALA 81 -14.220 -1.848 3.348 778 MB ALA 81 MB ALA 81 -14.810 -2.464 2.775 779 H CYS 82 H CYS 82 -15.284 1.329 2.756 780 HA CYS 82 HA CYS 82 -15.112 1.509 5.587 781 1HB CYS 82 1HB CYS 82 -13.823 2.775 3.574 782 2HB CYS 82 2HB CYS 82 -15.035 3.987 3.938 783 HG CYS 82 HG CYS 82 -12.619 3.774 5.324 784 QB CYS 82 QB CYS 82 -14.429 3.381 3.756 785 H ALA 83 H ALA 83 -16.884 3.610 3.197 786 HA ALA 83 HA ALA 83 -18.638 4.743 4.934 787 1HB ALA 83 2HB ALA 83 -20.096 4.361 2.568 788 2HB ALA 83 3HB ALA 83 -19.021 5.729 2.946 789 3HB ALA 83 1HB ALA 83 -18.392 4.323 2.054 790 MB ALA 83 MB ALA 83 -19.169 4.804 2.523 791 H GLN 84 H GLN 84 -18.537 1.422 3.769 792 HA GLN 84 HA GLN 84 -21.179 0.745 4.090 793 1HB GLN 84 1HB GLN 84 -18.581 -0.798 4.290 794 2HB GLN 84 2HB GLN 84 -20.100 -1.602 4.634 795 1HG GLN 84 1HG GLN 84 -20.329 -0.018 2.186 796 2HG GLN 84 2HG GLN 84 -18.958 -1.105 2.077 797 2HE2 GLN 84 1HE2 GLN 84 -20.896 -1.561 0.373 798 1HE2 GLN 84 2HE2 GLN 84 -21.851 -2.948 0.775 799 QB GLN 84 QB GLN 84 -19.341 -1.200 4.462 800 QG GLN 84 QG GLN 84 -19.644 -0.561 2.132 801 QE GLN 84 QE GLN 84 -21.374 -2.255 0.574 802 H ASN 85 H ASN 85 -18.742 1.573 6.456 803 HA ASN 85 HA ASN 85 -20.299 0.323 8.554 804 1HB ASN 85 1HB ASN 85 -17.595 0.427 8.233 805 2HB ASN 85 2HB ASN 85 -17.802 1.913 9.138 806 2HD2 ASN 85 1HD2 ASN 85 -16.921 1.314 11.024 807 1HD2 ASN 85 2HD2 ASN 85 -17.536 0.081 12.074 808 QB ASN 85 QB ASN 85 -17.699 1.170 8.686 809 QD ASN 85 QD ASN 85 -17.228 0.698 11.549 810 H GLY 86 H GLY 86 -19.469 3.389 7.011 811 1HA GLY 86 1HA GLY 86 -21.038 5.200 7.365 812 2HA GLY 86 2HA GLY 86 -21.007 4.841 9.080 813 QA GLY 86 QA GLY 86 -21.023 5.021 8.222 814 H LEU 87 H LEU 87 -17.899 4.346 7.717 815 HA LEU 87 HA LEU 87 -16.903 6.661 9.076 816 1HB LEU 87 1HB LEU 87 -15.378 4.711 7.356 817 2HB LEU 87 2HB LEU 87 -14.744 5.776 8.595 818 HG LEU 87 HG LEU 87 -16.724 3.592 9.251 819 1HD1 LEU 87 1HD1 LEU 87 -13.896 3.324 8.490 820 2HD1 LEU 87 2HD1 LEU 87 -14.317 2.570 10.047 821 3HD1 LEU 87 3HD1 LEU 87 -15.193 2.107 8.569 822 1HD2 LEU 87 1HD2 LEU 87 -14.952 5.437 10.795 823 2HD2 LEU 87 2HD2 LEU 87 -16.621 4.910 11.115 824 3HD2 LEU 87 3HD2 LEU 87 -15.262 3.809 11.445 825 MD1 LEU 87 MD1 LEU 87 -14.468 2.667 9.035 826 MD2 LEU 87 MD2 LEU 87 -15.612 4.719 11.118 827 QB LEU 87 QB LEU 87 -15.061 5.243 7.976 828 QD LEU 87 QD LEU 87 -15.040 3.693 10.077 829 H GLU 88 H GLU 88 -15.386 8.223 7.992 830 HA GLU 88 HA GLU 88 -16.634 9.631 6.085 831 1HB GLU 88 1HB GLU 88 -14.353 9.958 7.515 832 2HB GLU 88 2HB GLU 88 -13.638 9.621 5.951 833 1HG GLU 88 1HG GLU 88 -14.240 11.655 5.119 834 2HG GLU 88 2HG GLU 88 -15.884 11.499 5.705 835 HE2 GLU 88 HE2 GLU 88 -12.833 12.056 7.850 836 QB GLU 88 QB GLU 88 -13.995 9.789 6.733 837 QG GLU 88 QG GLU 88 -15.062 11.577 5.412 838 H VAL 89 H VAL 89 -15.946 10.100 3.750 839 HA VAL 89 HA VAL 89 -15.562 7.529 2.412 840 HB VAL 89 HB VAL 89 -16.569 10.170 1.338 841 1HG1 VAL 89 1HG1 VAL 89 -16.543 7.367 0.175 842 2HG1 VAL 89 2HG1 VAL 89 -17.459 8.731 -0.509 843 3HG1 VAL 89 3HG1 VAL 89 -15.682 8.800 -0.435 844 1HG2 VAL 89 1HG2 VAL 89 -17.947 8.985 3.188 845 2HG2 VAL 89 2HG2 VAL 89 -18.772 9.472 1.687 846 3HG2 VAL 89 3HG2 VAL 89 -18.302 7.773 1.932 847 MG1 VAL 89 MG1 VAL 89 -16.562 8.300 -0.256 848 MG2 VAL 89 MG2 VAL 89 -18.340 8.744 2.269 849 QG VAL 89 QG VAL 89 -17.451 8.522 1.006 850 H SER 90 H SER 90 -13.679 9.952 3.601 851 HA SER 90 HA SER 90 -12.068 10.226 1.219 852 1HB SER 90 1HB SER 90 -12.184 11.599 3.903 853 2HB SER 90 2HB SER 90 -10.684 11.663 3.000 854 HG SER 90 HG SER 90 -11.569 12.975 1.522 855 QB SER 90 QB SER 90 -11.434 11.631 3.452 856 H LEU 91 H LEU 91 -9.581 9.996 1.568 857 HA LEU 91 HA LEU 91 -9.025 7.383 2.303 858 1HB LEU 91 1HB LEU 91 -7.586 9.736 1.366 859 2HB LEU 91 2HB LEU 91 -6.619 8.758 2.452 860 HG LEU 91 HG LEU 91 -7.976 7.784 -0.077 861 1HD1 LEU 91 1HD1 LEU 91 -5.253 8.815 0.524 862 2HD1 LEU 91 2HD1 LEU 91 -5.369 7.397 -0.546 863 3HD1 LEU 91 3HD1 LEU 91 -6.218 8.903 -0.969 864 1HD2 LEU 91 1HD2 LEU 91 -6.361 6.341 2.023 865 2HD2 LEU 91 2HD2 LEU 91 -7.959 5.929 1.358 866 3HD2 LEU 91 3HD2 LEU 91 -6.501 5.739 0.354 867 MD1 LEU 91 MD1 LEU 91 -5.613 8.372 -0.330 868 MD2 LEU 91 MD2 LEU 91 -6.941 6.003 1.245 869 QB LEU 91 QB LEU 91 -7.102 9.247 1.909 870 QD LEU 91 QD LEU 91 -6.277 7.187 0.457 871 H SER 92 H SER 92 -9.517 10.217 4.244 872 HA SER 92 HA SER 92 -7.822 9.554 6.354 873 1HB SER 92 1HB SER 92 -10.073 11.428 5.855 874 2HB SER 92 2HB SER 92 -9.895 10.958 7.534 875 HG SER 92 HG SER 92 -8.240 12.563 5.934 876 QB SER 92 QB SER 92 -9.984 11.193 6.695 877 H SER 93 H SER 93 -10.531 7.940 5.109 878 HA SER 93 HA SER 93 -11.360 6.983 7.715 879 1HB SER 93 1HB SER 93 -13.312 6.089 6.607 880 2HB SER 93 2HB SER 93 -13.075 7.721 6.013 881 HG SER 93 HG SER 93 -11.665 5.998 4.424 882 QB SER 93 QB SER 93 -13.193 6.905 6.310 883 H LEU 94 H LEU 94 -9.270 6.229 5.082 884 HA LEU 94 HA LEU 94 -9.471 3.364 5.438 885 1HB LEU 94 1HB LEU 94 -8.119 5.228 3.551 886 2HB LEU 94 2HB LEU 94 -7.394 3.651 3.794 887 HG LEU 94 HG LEU 94 -10.138 4.292 2.707 888 1HD1 LEU 94 1HD1 LEU 94 -7.571 3.597 1.565 889 2HD1 LEU 94 2HD1 LEU 94 -8.817 2.410 1.110 890 3HD1 LEU 94 3HD1 LEU 94 -9.068 4.138 0.768 891 1HD2 LEU 94 1HD2 LEU 94 -9.220 1.850 4.096 892 2HD2 LEU 94 2HD2 LEU 94 -10.863 2.481 3.829 893 3HD2 LEU 94 3HD2 LEU 94 -10.029 1.591 2.532 894 MD1 LEU 94 MD1 LEU 94 -8.485 3.382 1.148 895 MD2 LEU 94 MD2 LEU 94 -10.037 1.974 3.485 896 QB LEU 94 QB LEU 94 -7.757 4.440 3.672 897 QD LEU 94 QD LEU 94 -9.261 2.678 2.317 898 H SER 95 H SER 95 -7.029 2.325 5.458 899 HA SER 95 HA SER 95 -5.176 1.997 6.565 900 1HB SER 95 2HB SER 95 -4.956 4.620 6.330 901 2HB SER 95 1HB SER 95 -3.883 3.743 7.403 902 HG SER 95 HG SER 95 -5.261 5.787 8.131 903 QB SER 95 QB SER 95 -4.419 4.182 6.866 904 H LEU 96 H LEU 96 -8.219 2.242 7.729 905 HA LEU 96 HA LEU 96 -7.440 1.594 10.485 906 1HB LEU 96 1HB LEU 96 -10.270 2.128 9.946 907 2HB LEU 96 2HB LEU 96 -9.237 2.674 11.252 908 HG LEU 96 HG LEU 96 -9.034 3.868 8.487 909 1HD1 LEU 96 1HD1 LEU 96 -11.394 3.998 9.281 910 2HD1 LEU 96 2HD1 LEU 96 -10.820 4.899 10.705 911 3HD1 LEU 96 3HD1 LEU 96 -10.607 5.581 9.075 912 1HD2 LEU 96 1HD2 LEU 96 -7.281 4.170 10.383 913 2HD2 LEU 96 2HD2 LEU 96 -7.838 5.590 9.467 914 3HD2 LEU 96 3HD2 LEU 96 -8.491 5.267 11.091 915 MD1 LEU 96 MD1 LEU 96 -10.941 4.826 9.687 916 MD2 LEU 96 MD2 LEU 96 -7.870 5.009 10.314 917 QB LEU 96 QB LEU 96 -9.753 2.401 10.599 918 QD LEU 96 QD LEU 96 -9.405 4.917 10.000 919 H ALA 97 H ALA 97 -9.807 0.255 11.242 920 HA ALA 97 HA ALA 97 -9.463 -2.197 9.681 921 1HB ALA 97 2HB ALA 97 -10.857 -1.998 12.351 922 2HB ALA 97 3HB ALA 97 -9.957 -3.362 11.647 923 3HB ALA 97 1HB ALA 97 -9.080 -1.942 12.267 924 MB ALA 97 MB ALA 97 -9.965 -2.434 12.088 925 H VAL 98 H VAL 98 -10.840 -1.097 7.962 926 HA VAL 98 HA VAL 98 -13.568 -0.594 8.594 927 HB VAL 98 HB VAL 98 -13.812 -0.181 6.264 928 1HG1 VAL 98 1HG1 VAL 98 -11.181 0.745 7.426 929 2HG1 VAL 98 2HG1 VAL 98 -11.740 1.290 5.826 930 3HG1 VAL 98 3HG1 VAL 98 -12.716 1.634 7.275 931 1HG2 VAL 98 1HG2 VAL 98 -12.684 -2.206 5.421 932 2HG2 VAL 98 2HG2 VAL 98 -12.115 -0.737 4.593 933 3HG2 VAL 98 3HG2 VAL 98 -11.107 -1.499 5.847 934 MG1 VAL 98 MG1 VAL 98 -11.879 1.223 6.842 935 MG2 VAL 98 MG2 VAL 98 -11.968 -1.481 5.287 936 QG VAL 98 QG VAL 98 -11.924 -0.129 6.064 937 HA PRO 99 HA PRO 99 -15.111 -4.608 8.168 938 1HB PRO 99 1HB PRO 99 -17.709 -4.125 7.472 939 2HB PRO 99 2HB PRO 99 -17.123 -4.017 9.120 940 1HG PRO 99 2HG PRO 99 -17.627 -1.770 8.989 941 2HG PRO 99 1HG PRO 99 -17.799 -1.833 7.246 942 1HD PRO 99 1HD PRO 99 -15.734 -0.845 7.043 943 2HD PRO 99 2HD PRO 99 -15.514 -0.889 8.781 944 QB PRO 99 QB PRO 99 -17.416 -4.071 8.296 945 QG PRO 99 QG PRO 99 -17.713 -1.801 8.118 946 QD PRO 99 QD PRO 99 -15.624 -0.867 7.912 947 HA PRO 100 HA PRO 100 -15.182 -6.044 4.171 948 1HB PRO 100 1HB PRO 100 -16.965 -8.115 4.142 949 2HB PRO 100 2HB PRO 100 -15.338 -8.260 4.778 950 1HG PRO 100 2HG PRO 100 -16.336 -8.630 6.824 951 2HG PRO 100 1HG PRO 100 -17.894 -8.068 6.251 952 1HD PRO 100 1HD PRO 100 -17.549 -6.088 7.366 953 2HD PRO 100 2HD PRO 100 -15.944 -6.606 7.842 954 QB PRO 100 QB PRO 100 -16.151 -8.188 4.460 955 QG PRO 100 QG PRO 100 -17.115 -8.349 6.537 956 QD PRO 100 QD PRO 100 -16.746 -6.347 7.604 957 HA PRO 101 HA PRO 101 -18.188 -4.066 1.912 958 1HB PRO 101 1HB PRO 101 -17.432 -4.736 -0.627 959 2HB PRO 101 2HB PRO 101 -16.689 -3.435 0.282 960 1HG PRO 101 1HG PRO 101 -15.622 -6.128 -0.310 961 2HG PRO 101 2HG PRO 101 -14.758 -4.694 0.210 962 1HD PRO 101 1HD PRO 101 -15.459 -6.957 1.827 963 2HD PRO 101 2HD PRO 101 -14.699 -5.475 2.372 964 QB PRO 101 QB PRO 101 -17.061 -4.086 -0.173 965 QG PRO 101 QG PRO 101 -15.190 -5.411 -0.050 966 QD PRO 101 QD PRO 101 -15.079 -6.216 2.100 967 H ARG 102 H ARG 102 -19.404 -4.744 -0.480 968 HA ARG 102 HA ARG 102 -20.966 -6.952 0.547 969 1HB ARG 102 1HB ARG 102 -21.769 -4.517 -0.428 970 2HB ARG 102 2HB ARG 102 -21.849 -5.458 -1.903 971 1HG ARG 102 1HG ARG 102 -23.069 -6.606 0.615 972 2HG ARG 102 2HG ARG 102 -23.935 -5.342 -0.237 973 1HD ARG 102 1HD ARG 102 -24.557 -6.759 -1.915 974 2HD ARG 102 2HD ARG 102 -22.930 -7.381 -2.104 975 HE ARG 102 HE ARG 102 -24.325 -8.346 0.303 976 1HH1 ARG 102 1HH1 ARG 102 -23.605 -8.964 -3.111 977 2HH1 ARG 102 2HH1 ARG 102 -23.936 -10.660 -3.002 978 2HH2 ARG 102 HH2 ARG 102 -24.615 -11.591 -0.900 979 QB ARG 102 QB ARG 102 -21.809 -4.988 -1.166 980 QG ARG 102 QG ARG 102 -23.502 -5.974 0.189 981 QD ARG 102 QD ARG 102 -23.744 -7.070 -2.009 982 QH1 ARG 102 QH1 ARG 102 -23.771 -9.812 -3.056 983 H PHE 103 H PHE 103 -18.880 -5.906 -2.135 984 HA PHE 103 HA PHE 103 -19.476 -7.475 -4.195 985 1HB PHE 103 2HB PHE 103 -17.048 -7.420 -4.649 986 2HB PHE 103 1HB PHE 103 -16.677 -7.351 -2.938 987 HD1 PHE 103 HD1 PHE 103 -18.546 -5.394 -5.514 988 HD2 PHE 103 HD2 PHE 103 -16.119 -5.304 -2.034 989 HE1 PHE 103 HE1 PHE 103 -18.469 -2.888 -5.633 990 HE2 PHE 103 HE2 PHE 103 -16.043 -2.798 -2.153 991 HZ PHE 103 HZ PHE 103 -17.219 -1.620 -3.950 992 QB PHE 103 QB PHE 103 -16.862 -7.386 -3.794 993 QD PHE 103 QD PHE 103 -17.332 -5.349 -3.774 994 QE PHE 103 QE PHE 103 -17.256 -2.843 -3.893 995 QR PHE 103 QR PHE 103 -17.294 -4.096 -3.834 996 H HIS 104 H HIS 104 -18.551 -9.589 -4.992 997 HA HIS 104 HA HIS 104 -19.169 -11.608 -3.125 998 1HB HIS 104 1HB HIS 104 -18.427 -11.416 -5.981 999 2HB HIS 104 2HB HIS 104 -17.966 -12.916 -5.201 1000 HD1 HIS 104 HD1 HIS 104 -20.121 -14.022 -3.718 1001 HD2 HIS 104 HD2 HIS 104 -20.973 -11.489 -6.951 1002 HE1 HIS 104 HE1 HIS 104 -22.533 -14.509 -4.392 1003 QB HIS 104 QB HIS 104 -18.197 -12.166 -5.591 1004 H ASP 105 H ASP 105 -17.538 -13.593 -2.948 1005 HA ASP 105 HA ASP 105 -15.452 -12.680 -1.391 1006 1HB ASP 105 1HB ASP 105 -16.640 -15.172 -2.105 1007 2HB ASP 105 2HB ASP 105 -14.938 -15.342 -2.484 1008 HD2 ASP 105 HD2 ASP 105 -16.835 -14.454 0.578 1009 QB ASP 105 QB ASP 105 -15.789 -15.257 -2.295 No H/Q in entry = 1009 Start of MODEL 11 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.093 1.025 -1.615 3 1HB LEU 7 2HB LEU 7 4.118 -0.127 -1.865 4 2HB LEU 7 1HB LEU 7 3.562 -1.507 -0.939 5 HG LEU 7 HG LEU 7 3.807 -0.388 1.121 6 1HD1 LEU 7 1HD1 LEU 7 6.105 0.393 -0.692 7 2HD1 LEU 7 2HD1 LEU 7 6.153 0.434 1.086 8 3HD1 LEU 7 3HD1 LEU 7 5.924 -1.114 0.238 9 1HD2 LEU 7 1HD2 LEU 7 2.723 1.723 0.483 10 2HD2 LEU 7 2HD2 LEU 7 4.236 1.992 1.381 11 3HD2 LEU 7 3HD2 LEU 7 4.198 2.213 -0.385 12 MD1 LEU 7 MD1 LEU 7 6.060 -0.096 0.211 13 MD2 LEU 7 MD2 LEU 7 3.719 1.976 0.493 14 QB LEU 7 QB LEU 7 3.840 -0.817 -1.402 15 QD LEU 7 QD LEU 7 4.890 0.940 0.352 16 H SER 8 H SER 8 3.120 -1.740 -2.856 17 HA SER 8 HA SER 8 0.757 -2.010 -4.437 18 1HB SER 8 1HB SER 8 2.235 -3.700 -5.690 19 2HB SER 8 2HB SER 8 2.783 -2.036 -5.682 20 HG SER 8 HG SER 8 4.463 -3.670 -5.185 21 QB SER 8 QB SER 8 2.509 -2.868 -5.686 22 H LEU 9 H LEU 9 0.511 -4.618 -5.156 23 HA LEU 9 HA LEU 9 -0.840 -5.779 -3.053 24 1HB LEU 9 1HB LEU 9 0.374 -7.155 -5.453 25 2HB LEU 9 2HB LEU 9 -0.922 -7.769 -4.446 26 HG LEU 9 HG LEU 9 -1.350 -5.115 -5.738 27 1HD1 LEU 9 1HD1 LEU 9 -1.023 -7.687 -7.240 28 2HD1 LEU 9 2HD1 LEU 9 -2.256 -6.515 -7.764 29 3HD1 LEU 9 3HD1 LEU 9 -0.544 -6.032 -7.686 30 1HD2 LEU 9 1HD2 LEU 9 -3.084 -7.520 -5.130 31 2HD2 LEU 9 2HD2 LEU 9 -3.090 -5.933 -4.325 32 3HD2 LEU 9 3HD2 LEU 9 -3.649 -6.079 -6.009 33 MD1 LEU 9 MD1 LEU 9 -1.274 -6.744 -7.563 34 MD2 LEU 9 MD2 LEU 9 -3.274 -6.511 -5.155 35 QB LEU 9 QB LEU 9 -0.274 -7.462 -4.949 36 QD LEU 9 QD LEU 9 -2.274 -6.628 -6.359 37 H THR 10 H THR 10 2.591 -5.978 -4.013 38 HA THR 10 HA THR 10 3.389 -8.210 -2.639 39 HB THR 10 HB THR 10 4.715 -5.506 -3.163 40 HG1 THR 10 HG1 THR 10 5.491 -6.769 -4.939 41 1HG2 THR 10 1HG2 THR 10 5.692 -7.302 -1.295 42 2HG2 THR 10 2HG2 THR 10 6.384 -7.952 -2.801 43 3HG2 THR 10 3HG2 THR 10 6.723 -6.273 -2.318 44 MG THR 10 MG THR 10 6.266 -7.176 -2.138 45 H GLN 11 H GLN 11 2.949 -4.868 -1.330 46 HA GLN 11 HA GLN 11 3.683 -5.742 1.262 47 1HB GLN 11 1HB GLN 11 3.110 -3.228 -0.088 48 2HB GLN 11 2HB GLN 11 2.254 -3.284 1.440 49 1HG GLN 11 1HG GLN 11 5.059 -4.273 1.582 50 2HG GLN 11 2HG GLN 11 4.918 -2.583 1.142 51 2HE2 GLN 11 1HE2 GLN 11 5.737 -4.162 3.616 52 1HE2 GLN 11 2HE2 GLN 11 4.900 -3.407 4.931 53 QB GLN 11 QB GLN 11 2.682 -3.256 0.676 54 QG GLN 11 QG GLN 11 4.989 -3.428 1.362 55 QE GLN 11 QE GLN 11 5.319 -3.785 4.274 56 H LEU 12 H LEU 12 0.665 -5.326 -0.592 57 HA LEU 12 HA LEU 12 -1.206 -5.218 1.371 58 1HB LEU 12 1HB LEU 12 -1.596 -5.101 -1.058 59 2HB LEU 12 2HB LEU 12 -1.327 -6.828 -1.183 60 HG LEU 12 HG LEU 12 -3.720 -6.174 -1.215 61 1HD1 LEU 12 1HD1 LEU 12 -2.716 -8.397 -0.279 62 2HD1 LEU 12 2HD1 LEU 12 -3.304 -7.782 1.284 63 3HD1 LEU 12 3HD1 LEU 12 -4.444 -8.033 -0.059 64 1HD2 LEU 12 1HD2 LEU 12 -3.271 -4.304 0.547 65 2HD2 LEU 12 2HD2 LEU 12 -4.832 -5.160 0.537 66 3HD2 LEU 12 3HD2 LEU 12 -3.584 -5.598 1.729 67 MD1 LEU 12 MD1 LEU 12 -3.488 -8.071 0.315 68 MD2 LEU 12 MD2 LEU 12 -3.896 -5.021 0.937 69 QB LEU 12 QB LEU 12 -1.462 -5.965 -1.120 70 QD LEU 12 QD LEU 12 -3.692 -6.546 0.626 71 H SER 13 H SER 13 0.580 -8.114 0.171 72 HA SER 13 HA SER 13 0.383 -9.321 2.683 73 1HB SER 13 1HB SER 13 -1.721 -9.971 0.697 74 2HB SER 13 2HB SER 13 -0.900 -11.382 1.333 75 HG SER 13 HG SER 13 -2.004 -11.155 3.143 76 QB SER 13 QB SER 13 -1.310 -10.676 1.015 77 H SER 14 H SER 14 2.644 -8.800 1.436 78 HA SER 14 HA SER 14 4.477 -9.592 0.589 79 1HB SER 14 1HB SER 14 3.281 -11.813 1.968 80 2HB SER 14 2HB SER 14 4.036 -12.447 0.519 81 HG SER 14 HG SER 14 5.990 -12.048 1.324 82 QB SER 14 QB SER 14 3.659 -12.130 1.244 83 H GLY 15 H GLY 15 1.822 -9.366 -1.070 84 1HA GLY 15 1HA GLY 15 1.426 -9.382 -3.299 85 2HA GLY 15 2HA GLY 15 2.993 -10.117 -3.573 86 QA GLY 15 QA GLY 15 2.209 -9.750 -3.436 87 H ASN 16 H ASN 16 0.550 -11.468 -1.327 88 HA ASN 16 HA ASN 16 0.755 -14.000 -2.206 89 1HB ASN 16 1HB ASN 16 -0.660 -12.823 -0.239 90 2HB ASN 16 2HB ASN 16 -1.980 -12.985 -1.381 91 2HD2 ASN 16 1HD2 ASN 16 -1.403 -14.280 1.218 92 1HD2 ASN 16 2HD2 ASN 16 -1.483 -15.989 0.949 93 QB ASN 16 QB ASN 16 -1.320 -12.904 -0.810 94 QD ASN 16 QD ASN 16 -1.443 -15.135 1.084 95 HA PRO 17 HA PRO 17 -1.276 -13.601 -6.127 96 1HB PRO 17 1HB PRO 17 -0.741 -16.111 -7.065 97 2HB PRO 17 2HB PRO 17 0.377 -14.771 -7.224 98 1HG PRO 17 1HG PRO 17 0.496 -17.075 -5.376 99 2HG PRO 17 2HG PRO 17 1.779 -15.977 -5.846 100 1HD PRO 17 1HD PRO 17 0.334 -15.969 -3.368 101 2HD PRO 17 2HD PRO 17 1.535 -14.802 -3.885 102 QB PRO 17 QB PRO 17 -0.182 -15.441 -7.145 103 QG PRO 17 QG PRO 17 1.138 -16.526 -5.611 104 QD PRO 17 QD PRO 17 0.934 -15.385 -3.626 105 H VAL 18 H VAL 18 -1.945 -15.925 -3.696 106 HA VAL 18 HA VAL 18 -4.001 -17.340 -4.687 107 HB VAL 18 HB VAL 18 -3.080 -17.518 -2.431 108 1HG1 VAL 18 1HG1 VAL 18 -3.124 -14.954 -2.092 109 2HG1 VAL 18 2HG1 VAL 18 -4.807 -15.198 -1.567 110 3HG1 VAL 18 3HG1 VAL 18 -3.478 -15.998 -0.694 111 1HG2 VAL 18 1HG2 VAL 18 -6.048 -17.286 -2.840 112 2HG2 VAL 18 2HG2 VAL 18 -5.043 -18.733 -2.583 113 3HG2 VAL 18 3HG2 VAL 18 -5.407 -17.648 -1.219 114 MG1 VAL 18 MG1 VAL 18 -3.803 -15.383 -1.451 115 MG2 VAL 18 MG2 VAL 18 -5.499 -17.889 -2.214 116 QG VAL 18 QG VAL 18 -4.651 -16.636 -1.832 117 H TYR 19 H TYR 19 -4.206 -13.964 -3.375 118 HA TYR 19 HA TYR 19 -6.952 -13.686 -3.896 119 1HB TYR 19 1HB TYR 19 -4.488 -11.930 -3.461 120 2HB TYR 19 2HB TYR 19 -5.998 -11.150 -3.889 121 HD1 TYR 19 HD1 TYR 19 -7.944 -12.853 -2.371 122 HD2 TYR 19 HD2 TYR 19 -4.139 -11.262 -1.235 123 HE1 TYR 19 HE1 TYR 19 -8.650 -12.889 0.071 124 HE2 TYR 19 HE2 TYR 19 -4.858 -11.303 1.203 125 HH TYR 19 HH TYR 19 -7.170 -11.189 2.398 126 QB TYR 19 QB TYR 19 -5.243 -11.540 -3.675 127 QD TYR 19 QD TYR 19 -6.041 -12.057 -1.803 128 QE TYR 19 QE TYR 19 -6.754 -12.096 0.637 129 QR TYR 19 QR TYR 19 -6.398 -12.077 -0.583 130 H GLU 20 H GLU 20 -4.010 -13.175 -5.870 131 HA GLU 20 HA GLU 20 -5.095 -11.596 -7.819 132 1HB GLU 20 1HB GLU 20 -2.709 -13.159 -7.421 133 2HB GLU 20 2HB GLU 20 -3.290 -13.477 -9.043 134 1HG GLU 20 1HG GLU 20 -3.385 -10.607 -8.246 135 2HG GLU 20 2HG GLU 20 -1.770 -11.283 -8.319 136 HE2 GLU 20 HE2 GLU 20 -1.457 -11.040 -11.488 137 QB GLU 20 QB GLU 20 -2.999 -13.318 -8.232 138 QG GLU 20 QG GLU 20 -2.578 -10.945 -8.282 139 H LYS 21 H LYS 21 -5.375 -15.113 -7.260 140 HA LYS 21 HA LYS 21 -6.326 -15.856 -9.758 141 1HB LYS 21 1HB LYS 21 -6.187 -17.830 -8.750 142 2HB LYS 21 2HB LYS 21 -5.923 -17.038 -7.209 143 1HG LYS 21 1HG LYS 21 -8.319 -16.942 -6.756 144 2HG LYS 21 2HG LYS 21 -8.707 -17.459 -8.385 145 1HD LYS 21 2HD LYS 21 -7.333 -19.613 -7.828 146 2HD LYS 21 1HD LYS 21 -8.938 -19.454 -7.142 147 1HE LYS 21 1HE LYS 21 -6.376 -19.651 -5.767 148 2HE LYS 21 2HE LYS 21 -7.170 -18.158 -5.307 149 QB LYS 21 QB LYS 21 -6.055 -17.434 -7.980 150 QD LYS 21 QD LYS 21 -8.136 -19.533 -7.485 151 QG LYS 21 QG LYS 21 -8.513 -17.201 -7.570 152 QE LYS 21 QE LYS 21 -6.773 -18.905 -5.537 153 QZ LYS 21 QZ LYS 21 -8.291 -20.506 -4.747 154 H TYR 22 H TYR 22 -8.018 -14.529 -6.863 155 HA TYR 22 HA TYR 22 -10.589 -14.746 -8.074 156 1HB TYR 22 1HB TYR 22 -9.404 -13.080 -5.765 157 2HB TYR 22 2HB TYR 22 -11.124 -13.285 -6.033 158 HD1 TYR 22 HD1 TYR 22 -8.019 -14.977 -4.968 159 HD2 TYR 22 HD2 TYR 22 -12.260 -15.334 -5.413 160 HE1 TYR 22 HE1 TYR 22 -8.001 -17.073 -3.529 161 HE2 TYR 22 HE2 TYR 22 -12.227 -17.428 -3.972 162 HH TYR 22 HH TYR 22 -9.833 -19.237 -3.479 163 QB TYR 22 QB TYR 22 -10.264 -13.183 -5.899 164 QD TYR 22 QD TYR 22 -10.140 -15.155 -5.190 165 QE TYR 22 QE TYR 22 -10.114 -17.250 -3.750 166 QR TYR 22 QR TYR 22 -10.127 -16.203 -4.471 167 H TYR 23 H TYR 23 -8.233 -12.052 -7.495 168 HA TYR 23 HA TYR 23 -9.783 -9.984 -8.448 169 1HB TYR 23 1HB TYR 23 -7.677 -9.472 -7.419 170 2HB TYR 23 2HB TYR 23 -6.848 -10.760 -8.271 171 HD1 TYR 23 HD1 TYR 23 -6.090 -10.435 -10.613 172 HD2 TYR 23 HD2 TYR 23 -7.878 -7.258 -8.375 173 HE1 TYR 23 HE1 TYR 23 -5.193 -8.743 -12.285 174 HE2 TYR 23 HE2 TYR 23 -6.976 -5.576 -10.054 175 HH TYR 23 HH TYR 23 -5.524 -5.289 -11.708 176 QB TYR 23 QB TYR 23 -7.262 -10.116 -7.845 177 QD TYR 23 QD TYR 23 -6.984 -8.846 -9.494 178 QE TYR 23 QE TYR 23 -6.084 -7.159 -11.170 179 QR TYR 23 QR TYR 23 -6.534 -8.003 -10.332 180 H ARG 24 H ARG 24 -8.322 -12.660 -10.185 181 HA ARG 24 HA ARG 24 -8.473 -11.214 -12.667 182 1HB ARG 24 1HB ARG 24 -6.540 -12.752 -12.188 183 2HB ARG 24 2HB ARG 24 -7.649 -14.106 -12.092 184 1HG ARG 24 1HG ARG 24 -7.500 -14.373 -14.335 185 2HG ARG 24 2HG ARG 24 -8.230 -12.796 -14.563 186 1HD ARG 24 2HD ARG 24 -5.706 -11.982 -13.982 187 2HD ARG 24 1HD ARG 24 -6.223 -12.350 -15.615 188 HE ARG 24 HE ARG 24 -4.328 -13.866 -14.032 189 1HH1 ARG 24 1HH1 ARG 24 -6.817 -14.234 -16.527 190 2HH1 ARG 24 2HH1 ARG 24 -6.128 -15.685 -17.175 191 2HH2 ARG 24 HH2 ARG 24 -4.130 -16.576 -16.195 192 QB ARG 24 QB ARG 24 -7.095 -13.429 -12.140 193 QG ARG 24 QG ARG 24 -7.865 -13.584 -14.449 194 QD ARG 24 QD ARG 24 -5.964 -12.166 -14.798 195 QH1 ARG 24 QH1 ARG 24 -6.472 -14.960 -16.851 196 H GLN 25 H GLN 25 -10.305 -13.450 -10.682 197 HA GLN 25 HA GLN 25 -11.727 -14.761 -12.659 198 1HB GLN 25 1HB GLN 25 -12.163 -14.164 -9.738 199 2HB GLN 25 2HB GLN 25 -13.510 -14.808 -10.656 200 1HG GLN 25 1HG GLN 25 -11.694 -16.569 -11.512 201 2HG GLN 25 2HG GLN 25 -10.836 -16.091 -10.061 202 2HE2 GLN 25 1HE2 GLN 25 -14.268 -16.572 -10.896 203 1HE2 GLN 25 2HE2 GLN 25 -14.651 -17.680 -9.621 204 QB GLN 25 QB GLN 25 -12.836 -14.486 -10.197 205 QG GLN 25 QG GLN 25 -11.265 -16.330 -10.786 206 QE GLN 25 QE GLN 25 -14.460 -17.126 -10.259 207 H VAL 26 H VAL 26 -12.179 -11.579 -11.066 208 HA VAL 26 HA VAL 26 -14.740 -11.151 -12.258 209 HB VAL 26 HB VAL 26 -14.779 -9.212 -11.051 210 1HG1 VAL 26 1HG1 VAL 26 -14.185 -11.295 -9.640 211 2HG1 VAL 26 2HG1 VAL 26 -12.583 -10.539 -9.459 212 3HG1 VAL 26 3HG1 VAL 26 -14.038 -9.692 -8.880 213 1HG2 VAL 26 1HG2 VAL 26 -11.760 -9.060 -11.328 214 2HG2 VAL 26 2HG2 VAL 26 -12.974 -8.036 -12.132 215 3HG2 VAL 26 3HG2 VAL 26 -12.742 -7.925 -10.371 216 MG1 VAL 26 MG1 VAL 26 -13.602 -10.509 -9.327 217 MG2 VAL 26 MG2 VAL 26 -12.492 -8.340 -11.277 218 QG VAL 26 QG VAL 26 -13.047 -9.424 -10.302 219 H GLU 27 H GLU 27 -11.327 -10.199 -12.917 220 HA GLU 27 HA GLU 27 -11.600 -8.336 -14.774 221 1HB GLU 27 1HB GLU 27 -9.430 -9.250 -14.072 222 2HB GLU 27 2HB GLU 27 -9.757 -10.763 -14.893 223 1HG GLU 27 1HG GLU 27 -10.115 -8.554 -16.758 224 2HG GLU 27 2HG GLU 27 -8.550 -8.413 -15.983 225 HE2 GLU 27 HE2 GLU 27 -10.263 -10.803 -18.164 226 QB GLU 27 QB GLU 27 -9.594 -10.006 -14.482 227 QG GLU 27 QG GLU 27 -9.333 -8.484 -16.371 228 H ALA 28 H ALA 28 -12.016 -8.165 -17.040 229 HA ALA 28 HA ALA 28 -13.399 -10.516 -18.138 230 1HB ALA 28 2HB ALA 28 -13.902 -7.797 -19.251 231 2HB ALA 28 3HB ALA 28 -15.035 -9.133 -18.936 232 3HB ALA 28 1HB ALA 28 -14.492 -8.092 -17.598 233 MB ALA 28 MB ALA 28 -14.477 -8.341 -18.595 234 H GLY 29 H GLY 29 -12.667 -11.362 -20.055 235 1HA GLY 29 1HA GLY 29 -11.600 -11.393 -22.079 236 2HA GLY 29 2HA GLY 29 -11.011 -9.764 -21.816 237 QA GLY 29 QA GLY 29 -11.305 -10.579 -21.948 238 H ASN 30 H ASN 30 -8.986 -10.900 -22.752 239 HA ASN 30 HA ASN 30 -7.564 -12.171 -20.547 240 1HB ASN 30 1HB ASN 30 -7.553 -12.615 -23.533 241 2HB ASN 30 2HB ASN 30 -6.029 -12.828 -22.695 242 2HD2 ASN 30 1HD2 ASN 30 -5.615 -14.741 -21.907 243 1HD2 ASN 30 2HD2 ASN 30 -6.755 -15.978 -21.493 244 QB ASN 30 QB ASN 30 -6.791 -12.721 -23.114 245 QD ASN 30 QD ASN 30 -6.185 -15.359 -21.700 246 H THR 31 H THR 31 -7.723 -9.383 -20.538 247 HA THR 31 HA THR 31 -5.229 -8.477 -21.809 248 HB THR 31 HB THR 31 -6.245 -6.305 -21.855 249 HG1 THR 31 HG1 THR 31 -8.231 -7.535 -20.077 250 1HG2 THR 31 1HG2 THR 31 -7.529 -8.176 -23.239 251 2HG2 THR 31 2HG2 THR 31 -8.780 -7.972 -21.989 252 3HG2 THR 31 3HG2 THR 31 -8.301 -6.589 -23.002 253 MG THR 31 MG THR 31 -8.203 -7.579 -22.743 254 H GLY 32 H GLY 32 -6.732 -9.313 -18.787 255 1HA GLY 32 1HA GLY 32 -5.634 -9.564 -16.793 256 2HA GLY 32 2HA GLY 32 -4.270 -8.649 -17.405 257 QA GLY 32 QA GLY 32 -4.952 -9.107 -17.099 258 H ARG 33 H ARG 33 -7.102 -6.960 -18.219 259 HA ARG 33 HA ARG 33 -6.659 -5.223 -15.944 260 1HB ARG 33 1HB ARG 33 -7.827 -4.798 -18.723 261 2HB ARG 33 2HB ARG 33 -8.110 -3.622 -17.455 262 1HG ARG 33 1HG ARG 33 -5.380 -4.010 -17.218 263 2HG ARG 33 2HG ARG 33 -5.603 -4.239 -18.941 264 1HD ARG 33 1HD ARG 33 -6.475 -2.043 -19.253 265 2HD ARG 33 2HD ARG 33 -6.887 -1.859 -17.560 266 HE ARG 33 HE ARG 33 -4.697 -1.153 -17.128 267 1HH1 ARG 33 1HH1 ARG 33 -4.764 -2.790 -20.269 268 2HH1 ARG 33 2HH1 ARG 33 -3.129 -2.373 -20.661 269 2HH2 ARG 33 HH2 ARG 33 -1.841 -1.085 -19.103 270 QB ARG 33 QB ARG 33 -7.968 -4.210 -18.089 271 QG ARG 33 QG ARG 33 -5.491 -4.125 -18.080 272 QD ARG 33 QD ARG 33 -6.681 -1.951 -18.407 273 QH1 ARG 33 QH1 ARG 33 -3.947 -2.582 -20.465 274 H VAL 34 H VAL 34 -8.280 -4.878 -14.413 275 HA VAL 34 HA VAL 34 -10.653 -6.500 -14.678 276 HB VAL 34 HB VAL 34 -9.571 -4.746 -12.465 277 1HG1 VAL 34 1HG1 VAL 34 -12.127 -6.271 -12.738 278 2HG1 VAL 34 2HG1 VAL 34 -11.295 -6.313 -11.165 279 3HG1 VAL 34 3HG1 VAL 34 -11.782 -4.754 -11.873 280 1HG2 VAL 34 1HG2 VAL 34 -8.955 -7.425 -13.339 281 2HG2 VAL 34 2HG2 VAL 34 -8.228 -6.471 -12.024 282 3HG2 VAL 34 3HG2 VAL 34 -9.669 -7.468 -11.709 283 MG1 VAL 34 MG1 VAL 34 -11.735 -5.779 -11.925 284 MG2 VAL 34 MG2 VAL 34 -8.951 -7.121 -12.357 285 QG VAL 34 QG VAL 34 -10.343 -6.450 -12.141 286 H LEU 35 H LEU 35 -12.265 -5.704 -15.942 287 HA LEU 35 HA LEU 35 -12.580 -3.035 -16.594 288 1HB LEU 35 1HB LEU 35 -13.907 -5.538 -17.051 289 2HB LEU 35 2HB LEU 35 -15.105 -4.308 -16.701 290 HG LEU 35 HG LEU 35 -12.951 -4.003 -18.808 291 1HD1 LEU 35 1HD1 LEU 35 -14.586 -5.914 -19.192 292 2HD1 LEU 35 2HD1 LEU 35 -15.848 -4.667 -19.339 293 3HD1 LEU 35 3HD1 LEU 35 -14.474 -4.681 -20.471 294 1HD2 LEU 35 1HD2 LEU 35 -13.999 -1.929 -17.786 295 2HD2 LEU 35 2HD2 LEU 35 -14.113 -2.090 -19.555 296 3HD2 LEU 35 3HD2 LEU 35 -15.528 -2.450 -18.536 297 MD1 LEU 35 MD1 LEU 35 -14.970 -5.088 -19.667 298 MD2 LEU 35 MD2 LEU 35 -14.547 -2.156 -18.626 299 QB LEU 35 QB LEU 35 -14.506 -4.923 -16.876 300 QD LEU 35 QD LEU 35 -14.758 -3.622 -19.147 301 H ALA 36 H ALA 36 -13.190 -4.680 -13.616 302 HA ALA 36 HA ALA 36 -13.760 -3.748 -11.653 303 1HB ALA 36 1HB ALA 36 -13.341 -1.486 -13.032 304 2HB ALA 36 3HB ALA 36 -14.087 -1.481 -11.416 305 3HB ALA 36 2HB ALA 36 -15.109 -1.365 -12.869 306 MB ALA 36 MB ALA 36 -14.179 -1.444 -12.439 307 H LEU 37 H LEU 37 -16.139 -3.100 -14.320 308 HA LEU 37 HA LEU 37 -18.461 -3.253 -12.999 309 1HB LEU 37 1HB LEU 37 -17.527 -3.960 -15.693 310 2HB LEU 37 2HB LEU 37 -19.012 -4.762 -15.218 311 HG LEU 37 HG LEU 37 -19.762 -2.333 -14.519 312 1HD1 LEU 37 1HD1 LEU 37 -17.310 -1.587 -15.185 313 2HD1 LEU 37 2HD1 LEU 37 -18.041 -1.477 -16.804 314 3HD1 LEU 37 3HD1 LEU 37 -18.717 -0.532 -15.456 315 1HD2 LEU 37 1HD2 LEU 37 -20.105 -3.973 -16.803 316 2HD2 LEU 37 2HD2 LEU 37 -21.185 -2.706 -16.176 317 3HD2 LEU 37 3HD2 LEU 37 -19.938 -2.297 -17.379 318 MD1 LEU 37 MD1 LEU 37 -18.023 -1.199 -15.815 319 MD2 LEU 37 MD2 LEU 37 -20.409 -2.992 -16.786 320 QB LEU 37 QB LEU 37 -18.270 -4.361 -15.456 321 QD LEU 37 QD LEU 37 -19.216 -2.095 -16.300 322 H ASP 38 H ASP 38 -16.479 -6.094 -14.062 323 HA ASP 38 HA ASP 38 -18.251 -7.961 -13.011 324 1HB ASP 38 1HB ASP 38 -15.656 -7.912 -14.298 325 2HB ASP 38 2HB ASP 38 -15.553 -8.968 -12.904 326 HD2 ASP 38 HD2 ASP 38 -15.864 -10.502 -15.753 327 QB ASP 38 QB ASP 38 -15.605 -8.440 -13.601 328 H ALA 39 H ALA 39 -15.304 -6.276 -11.766 329 HA ALA 39 HA ALA 39 -14.788 -7.662 -9.491 330 1HB ALA 39 2HB ALA 39 -14.813 -4.629 -9.727 331 2HB ALA 39 3HB ALA 39 -13.770 -5.626 -8.685 332 3HB ALA 39 1HB ALA 39 -13.564 -5.669 -10.453 333 MB ALA 39 MB ALA 39 -14.049 -5.308 -9.622 334 H ALA 40 H ALA 40 -17.199 -4.977 -9.901 335 HA ALA 40 HA ALA 40 -18.127 -5.043 -7.277 336 1HB ALA 40 3HB ALA 40 -20.009 -3.765 -8.171 337 2HB ALA 40 2HB ALA 40 -19.618 -4.294 -9.825 338 3HB ALA 40 1HB ALA 40 -18.500 -3.225 -8.945 339 MB ALA 40 MB ALA 40 -19.375 -3.761 -8.980 340 H ALA 41 H ALA 41 -18.762 -7.098 -10.103 341 HA ALA 41 HA ALA 41 -21.163 -8.226 -9.161 342 1HB ALA 41 3HB ALA 41 -20.990 -9.589 -11.032 343 2HB ALA 41 1HB ALA 41 -19.951 -8.227 -11.517 344 3HB ALA 41 2HB ALA 41 -19.220 -9.728 -10.900 345 MB ALA 41 MB ALA 41 -20.054 -9.181 -11.150 346 H PHE 42 H PHE 42 -17.708 -9.342 -9.039 347 HA PHE 42 HA PHE 42 -18.282 -11.636 -7.541 348 1HB PHE 42 1HB PHE 42 -16.195 -11.232 -8.857 349 2HB PHE 42 2HB PHE 42 -15.816 -9.829 -7.878 350 HD1 PHE 42 HD1 PHE 42 -16.716 -13.388 -7.145 351 HD2 PHE 42 HD2 PHE 42 -14.018 -10.178 -6.496 352 HE1 PHE 42 HE1 PHE 42 -15.370 -14.832 -5.596 353 HE2 PHE 42 HE2 PHE 42 -12.672 -11.622 -4.946 354 HZ PHE 42 HZ PHE 42 -13.364 -13.933 -4.515 355 QB PHE 42 QB PHE 42 -16.005 -10.531 -8.368 356 QD PHE 42 QD PHE 42 -15.367 -11.783 -6.821 357 QE PHE 42 QE PHE 42 -14.021 -13.228 -5.271 358 QR PHE 42 QR PHE 42 -14.694 -12.505 -6.046 359 H LEU 43 H LEU 43 -17.492 -8.249 -6.645 360 HA LEU 43 HA LEU 43 -16.922 -8.668 -3.971 361 1HB LEU 43 1HB LEU 43 -18.115 -6.337 -5.462 362 2HB LEU 43 2HB LEU 43 -17.748 -6.271 -3.750 363 HG LEU 43 HG LEU 43 -15.667 -6.963 -5.832 364 1HD1 LEU 43 1HD1 LEU 43 -16.963 -4.536 -5.732 365 2HD1 LEU 43 2HD1 LEU 43 -15.530 -4.261 -4.711 366 3HD1 LEU 43 3HD1 LEU 43 -15.333 -4.826 -6.387 367 1HD2 LEU 43 1HD2 LEU 43 -15.386 -7.515 -3.327 368 2HD2 LEU 43 2HD2 LEU 43 -14.069 -6.661 -4.166 369 3HD2 LEU 43 3HD2 LEU 43 -15.187 -5.759 -3.114 370 MD1 LEU 43 MD1 LEU 43 -15.942 -4.541 -5.610 371 MD2 LEU 43 MD2 LEU 43 -14.881 -6.645 -3.536 372 QB LEU 43 QB LEU 43 -17.932 -6.304 -4.606 373 QD LEU 43 QD LEU 43 -15.411 -5.593 -4.573 374 H LYS 44 H LYS 44 -20.093 -8.037 -5.607 375 HA LYS 44 HA LYS 44 -21.688 -7.927 -3.402 376 1HB LYS 44 1HB LYS 44 -22.115 -8.904 -6.215 377 2HB LYS 44 2HB LYS 44 -23.404 -9.047 -5.037 378 1HG LYS 44 1HG LYS 44 -22.388 -6.419 -4.689 379 2HG LYS 44 2HG LYS 44 -22.428 -6.660 -6.425 380 1HD LYS 44 1HD LYS 44 -24.847 -7.627 -4.964 381 2HD LYS 44 2HD LYS 44 -24.602 -5.893 -4.918 382 1HE LYS 44 1HE LYS 44 -24.251 -7.221 -7.590 383 2HE LYS 44 2HE LYS 44 -25.886 -7.148 -6.963 384 QB LYS 44 QB LYS 44 -22.759 -8.976 -5.626 385 QD LYS 44 QD LYS 44 -24.724 -6.760 -4.941 386 QG LYS 44 QG LYS 44 -22.408 -6.539 -5.557 387 QE LYS 44 QE LYS 44 -25.069 -7.185 -7.276 388 QZ LYS 44 QZ LYS 44 -25.224 -4.793 -7.002 389 H LYS 45 H LYS 45 -19.858 -10.643 -4.649 390 HA LYS 45 HA LYS 45 -21.452 -12.595 -3.261 391 1HB LYS 45 1HB LYS 45 -18.729 -12.980 -4.521 392 2HB LYS 45 2HB LYS 45 -19.935 -14.200 -4.168 393 1HG LYS 45 1HG LYS 45 -21.505 -12.858 -5.762 394 2HG LYS 45 2HG LYS 45 -20.060 -12.011 -6.279 395 1HD LYS 45 1HD LYS 45 -18.999 -14.195 -6.890 396 2HD LYS 45 2HD LYS 45 -20.443 -15.042 -6.371 397 1HE LYS 45 1HE LYS 45 -20.810 -12.825 -8.373 398 2HE LYS 45 2HE LYS 45 -20.041 -14.291 -8.946 399 QB LYS 45 QB LYS 45 -19.332 -13.590 -4.344 400 QD LYS 45 QD LYS 45 -19.721 -14.619 -6.630 401 QG LYS 45 QG LYS 45 -20.783 -12.434 -6.021 402 QE LYS 45 QE LYS 45 -20.426 -13.558 -8.659 403 QZ LYS 45 QZ LYS 45 -22.451 -14.602 -7.834 404 H SER 46 H SER 46 -20.214 -10.235 -1.803 405 HA SER 46 HA SER 46 -18.262 -11.596 -0.174 406 1HB SER 46 2HB SER 46 -17.870 -9.240 -0.900 407 2HB SER 46 1HB SER 46 -17.869 -9.411 0.844 408 HG SER 46 HG SER 46 -19.695 -8.064 -0.840 409 QB SER 46 QB SER 46 -17.870 -9.325 -0.028 410 H GLY 47 H GLY 47 -20.961 -9.329 0.707 411 1HA GLY 47 1HA GLY 47 -22.729 -10.971 1.923 412 2HA GLY 47 2HA GLY 47 -21.467 -10.816 3.129 413 QA GLY 47 QA GLY 47 -22.098 -10.894 2.526 414 H LEU 48 H LEU 48 -20.717 -8.036 2.137 415 HA LEU 48 HA LEU 48 -22.442 -6.618 3.861 416 1HB LEU 48 1HB LEU 48 -20.164 -5.946 2.047 417 2HB LEU 48 2HB LEU 48 -21.160 -4.649 2.676 418 HG LEU 48 HG LEU 48 -19.925 -6.691 4.519 419 1HD1 LEU 48 1HD1 LEU 48 -18.249 -5.495 2.923 420 2HD1 LEU 48 2HD1 LEU 48 -18.562 -4.077 3.952 421 3HD1 LEU 48 3HD1 LEU 48 -17.911 -5.570 4.669 422 1HD2 LEU 48 1HD2 LEU 48 -21.786 -4.948 5.136 423 2HD2 LEU 48 2HD2 LEU 48 -20.416 -5.242 6.234 424 3HD2 LEU 48 3HD2 LEU 48 -20.418 -3.810 5.176 425 MD1 LEU 48 MD1 LEU 48 -18.241 -5.047 3.848 426 MD2 LEU 48 MD2 LEU 48 -20.873 -4.667 5.515 427 QB LEU 48 QB LEU 48 -20.662 -5.297 2.361 428 QD LEU 48 QD LEU 48 -19.557 -4.857 4.682 429 HA PRO 49 HA PRO 49 -25.496 -5.257 1.133 430 1HB PRO 49 1HB PRO 49 -26.093 -2.748 2.035 431 2HB PRO 49 2HB PRO 49 -26.675 -4.208 2.810 432 1HG PRO 49 1HG PRO 49 -24.529 -2.372 3.687 433 2HG PRO 49 2HG PRO 49 -25.404 -3.567 4.625 434 1HD PRO 49 1HD PRO 49 -22.735 -3.807 3.600 435 2HD PRO 49 2HD PRO 49 -23.652 -5.044 4.438 436 QB PRO 49 QB PRO 49 -26.384 -3.478 2.422 437 QG PRO 49 QG PRO 49 -24.966 -2.970 4.156 438 QD PRO 49 QD PRO 49 -23.193 -4.425 4.019 439 H ASP 50 H ASP 50 -26.288 -3.583 -0.481 440 HA ASP 50 HA ASP 50 -24.053 -3.076 -2.113 441 1HB ASP 50 2HB ASP 50 -26.366 -3.615 -2.947 442 2HB ASP 50 1HB ASP 50 -25.674 -2.190 -3.696 443 HD2 ASP 50 HD2 ASP 50 -27.878 -0.018 -2.720 444 QB ASP 50 QB ASP 50 -26.020 -2.903 -3.321 445 H LEU 51 H LEU 51 -26.185 -1.208 0.091 446 HA LEU 51 HA LEU 51 -25.455 1.358 -0.711 447 1HB LEU 51 1HB LEU 51 -27.199 1.602 0.632 448 2HB LEU 51 2HB LEU 51 -26.906 0.080 1.449 449 HG LEU 51 HG LEU 51 -25.233 1.188 2.902 450 1HD1 LEU 51 1HD1 LEU 51 -24.836 3.034 1.103 451 2HD1 LEU 51 2HD1 LEU 51 -26.175 3.866 1.929 452 3HD1 LEU 51 3HD1 LEU 51 -24.704 3.434 2.832 453 1HD2 LEU 51 1HD2 LEU 51 -27.796 1.026 3.335 454 2HD2 LEU 51 2HD2 LEU 51 -26.782 2.038 4.391 455 3HD2 LEU 51 3HD2 LEU 51 -27.763 2.791 3.111 456 MD1 LEU 51 MD1 LEU 51 -25.239 3.445 1.955 457 MD2 LEU 51 MD2 LEU 51 -27.447 1.952 3.613 458 QB LEU 51 QB LEU 51 -27.053 0.841 1.040 459 QD LEU 51 QD LEU 51 -26.343 2.698 2.784 460 H ILE 52 H ILE 52 -24.247 -0.536 2.153 461 HA ILE 52 HA ILE 52 -22.190 1.221 2.748 462 HB ILE 52 HB ILE 52 -22.456 -1.745 3.251 463 1HG1 ILE 52 1HG1 ILE 52 -24.241 -0.077 4.102 464 2HG1 ILE 52 2HG1 ILE 52 -23.563 -1.242 5.222 465 1HG2 ILE 52 1HG2 ILE 52 -20.269 0.094 3.797 466 2HG2 ILE 52 2HG2 ILE 52 -20.926 -0.626 5.287 467 3HG2 ILE 52 3HG2 ILE 52 -20.352 -1.676 3.969 468 1HD1 ILE 52 1HD1 ILE 52 -21.994 1.265 5.070 469 2HD1 ILE 52 2HD1 ILE 52 -23.664 1.497 5.640 470 3HD1 ILE 52 3HD1 ILE 52 -22.580 0.375 6.497 471 MG ILE 52 MG ILE 52 -20.516 -0.736 4.351 472 MD ILE 52 MD ILE 52 -22.746 1.046 5.736 473 QG ILE 52 QG ILE 52 -23.902 -0.659 4.662 474 H LEU 53 H LEU 53 -22.420 -1.451 0.386 475 HA LEU 53 HA LEU 53 -19.682 -1.647 -0.154 476 1HB LEU 53 1HB LEU 53 -22.223 -2.476 -1.441 477 2HB LEU 53 2HB LEU 53 -20.807 -2.408 -2.471 478 HG LEU 53 HG LEU 53 -20.970 -3.985 0.112 479 1HD1 LEU 53 1HD1 LEU 53 -22.428 -4.626 -2.018 480 2HD1 LEU 53 2HD1 LEU 53 -20.882 -5.330 -2.548 481 3HD1 LEU 53 3HD1 LEU 53 -21.619 -5.853 -1.015 482 1HD2 LEU 53 1HD2 LEU 53 -18.763 -3.235 -1.588 483 2HD2 LEU 53 2HD2 LEU 53 -18.762 -4.122 -0.044 484 3HD2 LEU 53 3HD2 LEU 53 -18.967 -5.003 -1.577 485 MD1 LEU 53 MD1 LEU 53 -21.643 -5.269 -1.860 486 MD2 LEU 53 MD2 LEU 53 -18.831 -4.120 -1.070 487 QB LEU 53 QB LEU 53 -21.515 -2.442 -1.956 488 QD LEU 53 QD LEU 53 -20.237 -4.695 -1.465 489 H GLY 54 H GLY 54 -22.320 0.264 -1.751 490 1HA GLY 54 1HA GLY 54 -20.994 1.448 -3.784 491 2HA GLY 54 2HA GLY 54 -22.202 2.259 -2.807 492 QA GLY 54 QA GLY 54 -21.598 1.854 -3.295 493 H LYS 55 H LYS 55 -20.730 2.240 -0.275 494 HA LYS 55 HA LYS 55 -19.227 4.589 -0.661 495 1HB LYS 55 1HB LYS 55 -19.892 2.790 1.638 496 2HB LYS 55 2HB LYS 55 -18.573 3.927 1.831 497 1HG LYS 55 1HG LYS 55 -20.946 5.146 0.553 498 2HG LYS 55 2HG LYS 55 -21.295 4.504 2.146 499 1HD LYS 55 1HD LYS 55 -18.733 5.945 2.115 500 2HD LYS 55 2HD LYS 55 -20.043 6.967 1.559 501 1HE LYS 55 1HE LYS 55 -20.959 5.457 3.863 502 2HE LYS 55 2HE LYS 55 -19.425 6.205 4.258 503 QB LYS 55 QB LYS 55 -19.232 3.359 1.735 504 QD LYS 55 QD LYS 55 -19.388 6.456 1.837 505 QG LYS 55 QG LYS 55 -21.120 4.825 1.349 506 QE LYS 55 QE LYS 55 -20.192 5.831 4.060 507 QZ LYS 55 QZ LYS 55 -21.087 7.870 4.251 508 H ILE 56 H ILE 56 -18.386 1.118 -0.235 509 HA ILE 56 HA ILE 56 -15.655 1.448 0.095 510 HB ILE 56 HB ILE 56 -17.338 -0.769 -1.051 511 1HG1 ILE 56 1HG1 ILE 56 -15.964 -0.332 1.614 512 2HG1 ILE 56 2HG1 ILE 56 -17.689 -0.355 1.302 513 1HG2 ILE 56 1HG2 ILE 56 -14.511 -0.419 -1.364 514 2HG2 ILE 56 2HG2 ILE 56 -14.814 -1.779 -0.256 515 3HG2 ILE 56 3HG2 ILE 56 -15.544 -1.774 -1.879 516 1HD1 ILE 56 1HD1 ILE 56 -16.470 -2.790 0.262 517 2HD1 ILE 56 2HD1 ILE 56 -16.046 -2.564 1.976 518 3HD1 ILE 56 3HD1 ILE 56 -17.755 -2.611 1.481 519 MG ILE 56 MG ILE 56 -14.956 -1.324 -1.166 520 MD ILE 56 MD ILE 56 -16.757 -2.655 1.240 521 QG ILE 56 QG ILE 56 -16.827 -0.344 1.458 522 H TRP 57 H TRP 57 -17.530 0.815 -2.956 523 HA TRP 57 HA TRP 57 -15.376 0.984 -4.676 524 1HB TRP 57 1HB TRP 57 -17.720 0.187 -5.149 525 2HB TRP 57 2HB TRP 57 -18.200 1.868 -5.279 526 HD1 TRP 57 HD1 TRP 57 -16.910 3.290 -7.362 527 HE1 TRP 57 HE1 TRP 57 -16.136 2.540 -9.770 528 HE3 TRP 57 HE3 TRP 57 -16.877 -1.698 -6.371 529 HZ2 TRP 57 HZ2 TRP 57 -15.609 0.002 -10.965 530 HZ3 TRP 57 HZ3 TRP 57 -16.220 -3.243 -8.214 531 HH2 TRP 57 HH2 TRP 57 -15.601 -2.466 -10.447 532 QB TRP 57 QB TRP 57 -17.960 1.027 -5.214 533 H ASP 58 H ASP 58 -17.762 3.556 -3.697 534 HA ASP 58 HA ASP 58 -16.745 5.620 -5.061 535 1HB ASP 58 1HB ASP 58 -18.637 5.329 -3.121 536 2HB ASP 58 2HB ASP 58 -17.410 6.152 -2.180 537 HD2 ASP 58 HD2 ASP 58 -19.354 8.455 -2.690 538 QB ASP 58 QB ASP 58 -18.024 5.740 -2.651 539 H LEU 59 H LEU 59 -15.460 3.993 -2.157 540 HA LEU 59 HA LEU 59 -13.482 6.058 -1.712 541 1HB LEU 59 1HB LEU 59 -14.545 5.063 0.200 542 2HB LEU 59 2HB LEU 59 -14.104 3.450 -0.326 543 HG LEU 59 HG LEU 59 -12.757 4.557 1.572 544 1HD1 LEU 59 1HD1 LEU 59 -12.210 2.454 0.219 545 2HD1 LEU 59 2HD1 LEU 59 -11.066 3.478 -0.681 546 3HD1 LEU 59 3HD1 LEU 59 -10.872 3.258 1.075 547 1HD2 LEU 59 1HD2 LEU 59 -11.721 6.078 -0.818 548 2HD2 LEU 59 2HD2 LEU 59 -12.270 6.700 0.757 549 3HD2 LEU 59 3HD2 LEU 59 -10.731 5.813 0.638 550 MD1 LEU 59 MD1 LEU 59 -11.383 3.063 0.205 551 MD2 LEU 59 MD2 LEU 59 -11.574 6.197 0.192 552 QB LEU 59 QB LEU 59 -14.325 4.256 -0.063 553 QD LEU 59 QD LEU 59 -11.478 4.630 0.198 554 H ALA 60 H ALA 60 -13.862 2.924 -3.311 555 HA ALA 60 HA ALA 60 -11.055 2.434 -3.507 556 1HB ALA 60 3HB ALA 60 -11.794 0.401 -4.129 557 2HB ALA 60 1HB ALA 60 -13.449 1.001 -3.865 558 3HB ALA 60 2HB ALA 60 -12.719 1.088 -5.486 559 MB ALA 60 MB ALA 60 -12.654 0.830 -4.493 560 H ASP 61 H ASP 61 -13.606 3.210 -5.988 561 HA ASP 61 HA ASP 61 -12.155 3.591 -8.124 562 1HB ASP 61 1HB ASP 61 -14.603 4.087 -7.900 563 2HB ASP 61 2HB ASP 61 -14.219 5.596 -7.096 564 HD2 ASP 61 HD2 ASP 61 -13.329 5.346 -11.000 565 QB ASP 61 QB ASP 61 -14.411 4.841 -7.498 566 H THR 62 H THR 62 -10.378 4.854 -8.728 567 HA THR 62 HA THR 62 -10.035 7.489 -7.600 568 HB THR 62 HB THR 62 -8.250 5.114 -6.909 569 HG1 THR 62 HG1 THR 62 -9.497 7.417 -5.579 570 1HG2 THR 62 1HG2 THR 62 -6.846 7.085 -7.771 571 2HG2 THR 62 2HG2 THR 62 -7.594 8.073 -6.494 572 3HG2 THR 62 3HG2 THR 62 -6.581 6.676 -6.059 573 MG THR 62 MG THR 62 -7.007 7.278 -6.774 574 H ASP 63 H ASP 63 -8.694 4.796 -9.587 575 HA ASP 63 HA ASP 63 -6.998 6.376 -11.069 576 1HB ASP 63 1HB ASP 63 -7.373 3.759 -10.961 577 2HB ASP 63 2HB ASP 63 -8.515 4.033 -12.261 578 HD2 ASP 63 HD2 ASP 63 -7.414 3.076 -13.793 579 QB ASP 63 QB ASP 63 -7.944 3.896 -11.611 580 H GLY 64 H GLY 64 -10.463 5.414 -11.509 581 1HA GLY 64 1HA GLY 64 -12.010 6.994 -12.404 582 2HA GLY 64 2HA GLY 64 -10.756 7.605 -13.465 583 QA GLY 64 QA GLY 64 -11.383 7.299 -12.935 584 H LYS 65 H LYS 65 -12.972 7.038 -14.806 585 HA LYS 65 HA LYS 65 -13.664 5.934 -16.599 586 1HB LYS 65 1HB LYS 65 -11.157 5.550 -16.959 587 2HB LYS 65 2HB LYS 65 -11.402 3.951 -16.286 588 1HG LYS 65 1HG LYS 65 -13.411 3.861 -18.056 589 2HG LYS 65 2HG LYS 65 -12.484 5.113 -18.858 590 1HD LYS 65 1HD LYS 65 -10.729 2.930 -18.004 591 2HD LYS 65 2HD LYS 65 -12.044 2.311 -18.983 592 1HE LYS 65 1HE LYS 65 -11.521 4.063 -20.731 593 2HE LYS 65 2HE LYS 65 -10.155 4.583 -19.765 594 QB LYS 65 QB LYS 65 -11.280 4.751 -16.623 595 QD LYS 65 QD LYS 65 -11.386 2.620 -18.493 596 QG LYS 65 QG LYS 65 -12.947 4.487 -18.457 597 QE LYS 65 QE LYS 65 -10.838 4.323 -20.248 598 QZ LYS 65 QZ LYS 65 -10.043 2.338 -21.117 599 H GLY 66 H GLY 66 -12.351 3.422 -14.315 600 1HA GLY 66 1HA GLY 66 -14.514 2.630 -12.994 601 2HA GLY 66 2HA GLY 66 -14.842 1.932 -14.568 602 QA GLY 66 QA GLY 66 -14.678 2.281 -13.781 603 H VAL 67 H VAL 67 -12.360 1.123 -15.510 604 HA VAL 67 HA VAL 67 -11.968 -1.314 -14.486 605 HB VAL 67 HB VAL 67 -9.733 0.473 -15.457 606 1HG1 VAL 67 1HG1 VAL 67 -9.327 -1.929 -14.537 607 2HG1 VAL 67 2HG1 VAL 67 -10.071 -2.459 -16.065 608 3HG1 VAL 67 3HG1 VAL 67 -8.598 -1.460 -16.091 609 1HG2 VAL 67 1HG2 VAL 67 -12.175 -0.370 -16.804 610 2HG2 VAL 67 2HG2 VAL 67 -10.919 0.777 -17.328 611 3HG2 VAL 67 3HG2 VAL 67 -10.720 -0.964 -17.640 612 MG1 VAL 67 MG1 VAL 67 -9.332 -1.949 -15.565 613 MG2 VAL 67 MG2 VAL 67 -11.272 -0.186 -17.257 614 QG VAL 67 QG VAL 67 -10.302 -1.067 -16.411 615 H LEU 68 H LEU 68 -10.481 -2.324 -12.988 616 HA LEU 68 HA LEU 68 -9.885 -0.538 -10.747 617 1HB LEU 68 1HB LEU 68 -10.219 -3.538 -10.861 618 2HB LEU 68 2HB LEU 68 -9.811 -2.622 -9.423 619 HG LEU 68 HG LEU 68 -12.393 -2.459 -11.000 620 1HD1 LEU 68 1HD1 LEU 68 -12.166 -4.478 -9.626 621 2HD1 LEU 68 2HD1 LEU 68 -11.839 -3.470 -8.196 622 3HD1 LEU 68 3HD1 LEU 68 -13.427 -3.390 -8.997 623 1HD2 LEU 68 1HD2 LEU 68 -11.185 -0.586 -9.092 624 2HD2 LEU 68 2HD2 LEU 68 -12.518 -0.357 -10.249 625 3HD2 LEU 68 3HD2 LEU 68 -12.835 -1.094 -8.660 626 MD1 LEU 68 MD1 LEU 68 -12.477 -3.779 -8.940 627 MD2 LEU 68 MD2 LEU 68 -12.179 -0.679 -9.334 628 QB LEU 68 QB LEU 68 -10.015 -3.080 -10.142 629 QD LEU 68 QD LEU 68 -12.328 -2.229 -9.137 630 H SER 69 H SER 69 -7.842 -1.087 -9.490 631 HA SER 69 HA SER 69 -5.770 -1.681 -11.449 632 1HB SER 69 1HB SER 69 -5.287 -0.254 -8.820 633 2HB SER 69 2HB SER 69 -4.319 -0.204 -10.280 634 HG SER 69 HG SER 69 -5.494 1.744 -10.134 635 QB SER 69 QB SER 69 -4.803 -0.229 -9.550 636 H LYS 70 H LYS 70 -3.654 -1.985 -9.450 637 HA LYS 70 HA LYS 70 -4.044 -4.720 -8.845 638 1HB LYS 70 1HB LYS 70 -1.808 -4.328 -7.606 639 2HB LYS 70 2HB LYS 70 -1.850 -4.172 -9.351 640 1HG LYS 70 1HG LYS 70 -2.508 -1.646 -7.948 641 2HG LYS 70 2HG LYS 70 -0.904 -2.242 -7.569 642 1HD LYS 70 1HD LYS 70 -0.346 -2.377 -9.979 643 2HD LYS 70 2HD LYS 70 -1.974 -1.893 -10.409 644 1HE LYS 70 1HE LYS 70 -1.429 0.299 -10.198 645 2HE LYS 70 2HE LYS 70 -0.916 0.050 -8.540 646 QB LYS 70 QB LYS 70 -1.829 -4.250 -8.479 647 QD LYS 70 QD LYS 70 -1.160 -2.135 -10.194 648 QG LYS 70 QG LYS 70 -1.706 -1.944 -7.758 649 QE LYS 70 QE LYS 70 -1.173 0.175 -9.369 650 QZ LYS 70 QZ LYS 70 0.851 0.132 -10.465 651 H GLN 71 H GLN 71 -2.657 -2.728 -6.283 652 HA GLN 71 HA GLN 71 -3.910 -3.973 -4.271 653 1HB GLN 71 1HB GLN 71 -2.676 -1.265 -4.608 654 2HB GLN 71 2HB GLN 71 -3.639 -1.501 -3.163 655 1HG GLN 71 1HG GLN 71 -1.855 -3.792 -3.700 656 2HG GLN 71 2HG GLN 71 -0.969 -2.291 -3.517 657 2HE2 GLN 71 1HE2 GLN 71 -0.097 -2.568 -1.564 658 1HE2 GLN 71 2HE2 GLN 71 -0.972 -2.755 -0.081 659 QB GLN 71 QB GLN 71 -3.157 -1.383 -3.885 660 QG GLN 71 QG GLN 71 -1.412 -3.042 -3.609 661 QE GLN 71 QE GLN 71 -0.534 -2.661 -0.822 662 H GLU 72 H GLU 72 -5.185 -1.363 -6.341 663 HA GLU 72 HA GLU 72 -7.181 -0.333 -4.947 664 1HB GLU 72 1HB GLU 72 -6.813 -1.052 -7.813 665 2HB GLU 72 2HB GLU 72 -8.474 -0.752 -7.341 666 1HG GLU 72 1HG GLU 72 -7.100 1.332 -6.080 667 2HG GLU 72 2HG GLU 72 -6.216 1.147 -7.582 668 HE2 GLU 72 HE2 GLU 72 -7.107 3.101 -8.242 669 QB GLU 72 QB GLU 72 -7.643 -0.902 -7.577 670 QG GLU 72 QG GLU 72 -6.658 1.239 -6.831 671 H PHE 73 H PHE 73 -7.811 -3.211 -7.087 672 HA PHE 73 HA PHE 73 -10.244 -3.833 -5.938 673 1HB PHE 73 1HB PHE 73 -9.561 -4.780 -8.072 674 2HB PHE 73 2HB PHE 73 -8.032 -5.337 -7.421 675 HD1 PHE 73 HD1 PHE 73 -7.981 -7.334 -5.933 676 HD2 PHE 73 HD2 PHE 73 -11.521 -6.131 -7.940 677 HE1 PHE 73 HE1 PHE 73 -8.973 -9.607 -5.545 678 HE2 PHE 73 HE2 PHE 73 -12.513 -8.403 -7.552 679 HZ PHE 73 HZ PHE 73 -11.228 -10.114 -6.359 680 QB PHE 73 QB PHE 73 -8.797 -5.058 -7.747 681 QD PHE 73 QD PHE 73 -9.751 -6.732 -6.937 682 QE PHE 73 QE PHE 73 -10.744 -9.005 -6.548 683 QR PHE 73 QR PHE 73 -10.247 -7.869 -6.743 684 H PHE 74 H PHE 74 -6.937 -5.149 -5.234 685 HA PHE 74 HA PHE 74 -7.681 -7.054 -3.402 686 1HB PHE 74 1HB PHE 74 -5.321 -5.380 -4.149 687 2HB PHE 74 2HB PHE 74 -5.264 -5.913 -2.480 688 HD1 PHE 74 HD1 PHE 74 -5.962 -7.333 -5.867 689 HD2 PHE 74 HD2 PHE 74 -4.224 -7.920 -2.040 690 HE1 PHE 74 HE1 PHE 74 -5.080 -9.563 -6.609 691 HE2 PHE 74 HE2 PHE 74 -3.343 -10.150 -2.782 692 HZ PHE 74 HZ PHE 74 -3.782 -10.945 -5.057 693 QB PHE 74 QB PHE 74 -5.292 -5.646 -3.315 694 QD PHE 74 QD PHE 74 -5.093 -7.626 -3.953 695 QE PHE 74 QE PHE 74 -4.212 -9.856 -4.695 696 QR PHE 74 QR PHE 74 -4.652 -8.741 -4.324 697 H VAL 75 H VAL 75 -7.639 -3.535 -3.109 698 HA VAL 75 HA VAL 75 -7.568 -3.528 -0.255 699 HB VAL 75 HB VAL 75 -7.650 -1.623 -2.471 700 1HG1 VAL 75 1HG1 VAL 75 -9.213 -1.038 0.058 701 2HG1 VAL 75 2HG1 VAL 75 -8.567 0.234 -1.006 702 3HG1 VAL 75 3HG1 VAL 75 -9.767 -0.925 -1.629 703 1HG2 VAL 75 1HG2 VAL 75 -6.099 -2.207 -0.139 704 2HG2 VAL 75 2HG2 VAL 75 -5.732 -1.085 -1.472 705 3HG2 VAL 75 3HG2 VAL 75 -6.633 -0.511 -0.048 706 MG1 VAL 75 MG1 VAL 75 -9.182 -0.576 -0.859 707 MG2 VAL 75 MG2 VAL 75 -6.155 -1.267 -0.553 708 QG VAL 75 QG VAL 75 -7.668 -0.922 -0.706 709 H ALA 76 H ALA 76 -10.141 -2.795 -2.721 710 HA ALA 76 HA ALA 76 -12.241 -2.459 -1.038 711 1HB ALA 76 2HB ALA 76 -13.600 -3.400 -2.985 712 2HB ALA 76 3HB ALA 76 -12.477 -2.080 -3.388 713 3HB ALA 76 1HB ALA 76 -12.047 -3.763 -3.775 714 MB ALA 76 MB ALA 76 -12.708 -3.081 -3.383 715 H LEU 77 H LEU 77 -10.461 -5.423 -1.773 716 HA LEU 77 HA LEU 77 -12.434 -7.252 -0.982 717 1HB LEU 77 1HB LEU 77 -9.635 -7.248 -1.727 718 2HB LEU 77 2HB LEU 77 -9.930 -8.356 -0.401 719 HG LEU 77 HG LEU 77 -11.528 -8.381 -2.972 720 1HD1 LEU 77 1HD1 LEU 77 -8.956 -8.832 -3.111 721 2HD1 LEU 77 2HD1 LEU 77 -9.386 -10.394 -2.373 722 3HD1 LEU 77 3HD1 LEU 77 -10.104 -9.918 -3.931 723 1HD2 LEU 77 1HD2 LEU 77 -11.666 -9.848 -0.447 724 2HD2 LEU 77 2HD2 LEU 77 -12.860 -9.695 -1.758 725 3HD2 LEU 77 3HD2 LEU 77 -11.566 -10.911 -1.870 726 MD1 LEU 77 MD1 LEU 77 -9.482 -9.714 -3.138 727 MD2 LEU 77 MD2 LEU 77 -12.031 -10.151 -1.358 728 QB LEU 77 QB LEU 77 -9.782 -7.802 -1.064 729 QD LEU 77 QD LEU 77 -10.756 -9.933 -2.248 730 H ARG 78 H ARG 78 -9.395 -6.591 0.874 731 HA ARG 78 HA ARG 78 -10.313 -7.531 3.220 732 1HB ARG 78 1HB ARG 78 -8.349 -5.264 2.646 733 2HB ARG 78 2HB ARG 78 -8.592 -5.893 4.263 734 1HG ARG 78 1HG ARG 78 -7.541 -7.389 1.827 735 2HG ARG 78 2HG ARG 78 -6.699 -7.073 3.331 736 1HD ARG 78 1HD ARG 78 -7.362 -9.238 3.799 737 2HD ARG 78 2HD ARG 78 -8.814 -8.428 4.352 738 HE ARG 78 HE ARG 78 -9.947 -9.533 2.648 739 1HH1 ARG 78 1HH1 ARG 78 -6.610 -9.017 1.576 740 2HH1 ARG 78 2HH1 ARG 78 -6.848 -9.798 0.048 741 2HH2 ARG 78 HH2 ARG 78 -9.004 -10.701 -0.484 742 QB ARG 78 QB ARG 78 -8.470 -5.578 3.454 743 QG ARG 78 QG ARG 78 -7.120 -7.231 2.579 744 QD ARG 78 QD ARG 78 -8.088 -8.833 4.075 745 QH1 ARG 78 QH1 ARG 78 -6.729 -9.408 0.812 746 H LEU 79 H LEU 79 -10.754 -4.270 1.778 747 HA LEU 79 HA LEU 79 -11.616 -2.828 3.909 748 1HB LEU 79 1HB LEU 79 -11.419 -2.422 1.261 749 2HB LEU 79 2HB LEU 79 -13.161 -2.557 1.391 750 HG LEU 79 HG LEU 79 -11.625 -0.694 3.195 751 1HD1 LEU 79 1HD1 LEU 79 -11.603 -0.507 0.388 752 2HD1 LEU 79 2HD1 LEU 79 -12.787 0.696 0.953 753 3HD1 LEU 79 3HD1 LEU 79 -11.119 0.731 1.573 754 1HD2 LEU 79 1HD2 LEU 79 -14.338 -1.418 2.944 755 2HD2 LEU 79 2HD2 LEU 79 -13.633 -0.127 3.947 756 3HD2 LEU 79 3HD2 LEU 79 -14.197 0.235 2.298 757 MD1 LEU 79 MD1 LEU 79 -11.837 0.307 0.971 758 MD2 LEU 79 MD2 LEU 79 -14.056 -0.437 3.063 759 QB LEU 79 QB LEU 79 -12.290 -2.489 1.326 760 QD LEU 79 QD LEU 79 -12.946 -0.065 2.017 761 H VAL 80 H VAL 80 -13.597 -5.055 1.844 762 HA VAL 80 HA VAL 80 -15.971 -4.652 3.261 763 HB VAL 80 HB VAL 80 -14.891 -6.780 1.440 764 1HG1 VAL 80 1HG1 VAL 80 -17.096 -7.082 3.328 765 2HG1 VAL 80 2HG1 VAL 80 -17.625 -7.282 1.640 766 3HG1 VAL 80 3HG1 VAL 80 -16.309 -8.292 2.286 767 1HG2 VAL 80 1HG2 VAL 80 -15.607 -4.564 0.540 768 2HG2 VAL 80 2HG2 VAL 80 -16.545 -5.933 -0.106 769 3HG2 VAL 80 3HG2 VAL 80 -17.247 -4.887 1.152 770 MG1 VAL 80 MG1 VAL 80 -17.010 -7.552 2.418 771 MG2 VAL 80 MG2 VAL 80 -16.466 -5.128 0.529 772 QG VAL 80 QG VAL 80 -16.738 -6.340 1.473 773 H ALA 81 H ALA 81 -13.303 -7.065 3.611 774 HA ALA 81 HA ALA 81 -14.479 -8.610 5.581 775 1HB ALA 81 1HB ALA 81 -12.188 -8.710 4.174 776 2HB ALA 81 3HB ALA 81 -12.414 -9.614 5.691 777 3HB ALA 81 2HB ALA 81 -11.539 -8.064 5.700 778 MB ALA 81 MB ALA 81 -12.047 -8.796 5.188 779 H CYS 82 H CYS 82 -13.105 -5.357 5.677 780 HA CYS 82 HA CYS 82 -12.699 -5.340 8.485 781 1HB CYS 82 1HB CYS 82 -11.640 -3.832 6.624 782 2HB CYS 82 2HB CYS 82 -13.075 -2.848 6.834 783 HG CYS 82 HG CYS 82 -11.622 -3.770 9.387 784 QB CYS 82 QB CYS 82 -12.357 -3.340 6.729 785 H ALA 83 H ALA 83 -15.057 -3.610 6.303 786 HA ALA 83 HA ALA 83 -16.751 -2.811 8.364 787 1HB ALA 83 2HB ALA 83 -17.999 -3.330 5.734 788 2HB ALA 83 3HB ALA 83 -17.868 -1.815 6.659 789 3HB ALA 83 1HB ALA 83 -16.504 -2.366 5.657 790 MB ALA 83 MB ALA 83 -17.457 -2.503 6.017 791 H GLN 84 H GLN 84 -16.171 -5.927 6.942 792 HA GLN 84 HA GLN 84 -18.690 -7.033 7.172 793 1HB GLN 84 1HB GLN 84 -15.876 -8.126 7.158 794 2HB GLN 84 2HB GLN 84 -17.198 -9.212 7.535 795 1HG GLN 84 1HG GLN 84 -17.869 -7.555 5.217 796 2HG GLN 84 2HG GLN 84 -16.346 -8.382 4.956 797 2HE2 GLN 84 1HE2 GLN 84 -18.257 -9.087 3.331 798 1HE2 GLN 84 2HE2 GLN 84 -18.949 -10.632 3.700 799 QB GLN 84 QB GLN 84 -16.537 -8.669 7.346 800 QG GLN 84 QG GLN 84 -17.108 -7.968 5.087 801 QE GLN 84 QE GLN 84 -18.603 -9.860 3.516 802 H ASN 85 H ASN 85 -16.585 -5.832 9.599 803 HA ASN 85 HA ASN 85 -17.659 -7.644 11.585 804 1HB ASN 85 1HB ASN 85 -15.130 -6.688 11.317 805 2HB ASN 85 2HB ASN 85 -15.781 -5.385 12.291 806 2HD2 ASN 85 1HD2 ASN 85 -13.900 -6.543 13.527 807 1HD2 ASN 85 2HD2 ASN 85 -14.395 -7.689 14.727 808 QB ASN 85 QB ASN 85 -15.455 -6.037 11.804 809 QD ASN 85 QD ASN 85 -14.148 -7.116 14.127 810 H GLY 86 H GLY 86 -18.271 -4.635 10.074 811 1HA GLY 86 1HA GLY 86 -20.212 -3.404 10.608 812 2HA GLY 86 2HA GLY 86 -20.000 -3.794 12.303 813 QA GLY 86 QA GLY 86 -20.106 -3.599 11.456 814 H LEU 87 H LEU 87 -16.930 -3.159 11.002 815 HA LEU 87 HA LEU 87 -16.825 -0.642 12.365 816 1HB LEU 87 2HB LEU 87 -14.487 -0.747 11.991 817 2HB LEU 87 1HB LEU 87 -14.663 -1.925 10.705 818 HG LEU 87 HG LEU 87 -15.783 -3.290 12.783 819 1HD1 LEU 87 1HD1 LEU 87 -12.876 -3.204 11.938 820 2HD1 LEU 87 2HD1 LEU 87 -13.610 -4.488 12.928 821 3HD1 LEU 87 3HD1 LEU 87 -14.170 -4.220 11.260 822 1HD2 LEU 87 1HD2 LEU 87 -13.987 -1.225 13.938 823 2HD2 LEU 87 2HD2 LEU 87 -15.393 -2.059 14.643 824 3HD2 LEU 87 3HD2 LEU 87 -13.817 -2.883 14.561 825 MD1 LEU 87 MD1 LEU 87 -13.552 -3.971 12.042 826 MD2 LEU 87 MD2 LEU 87 -14.399 -2.056 14.381 827 QB LEU 87 QB LEU 87 -14.575 -1.336 11.348 828 QD LEU 87 QD LEU 87 -13.975 -3.013 13.212 829 H GLU 88 H GLU 88 -15.478 1.178 11.110 830 HA GLU 88 HA GLU 88 -17.139 2.347 9.380 831 1HB GLU 88 1HB GLU 88 -14.783 3.046 10.481 832 2HB GLU 88 2HB GLU 88 -14.200 2.716 8.862 833 1HG GLU 88 1HG GLU 88 -15.074 4.657 8.076 834 2HG GLU 88 2HG GLU 88 -16.664 4.253 8.694 835 HE2 GLU 88 HE2 GLU 88 -15.683 5.629 11.920 836 QB GLU 88 QB GLU 88 -14.491 2.881 9.672 837 QG GLU 88 QG GLU 88 -15.869 4.455 8.385 838 H VAL 89 H VAL 89 -16.690 2.914 6.952 839 HA VAL 89 HA VAL 89 -16.014 0.404 5.580 840 HB VAL 89 HB VAL 89 -17.963 2.555 4.732 841 1HG1 VAL 89 1HG1 VAL 89 -16.671 0.579 3.225 842 2HG1 VAL 89 2HG1 VAL 89 -18.298 -0.074 3.537 843 3HG1 VAL 89 3HG1 VAL 89 -18.111 1.516 2.759 844 1HG2 VAL 89 1HG2 VAL 89 -18.626 1.250 6.803 845 2HG2 VAL 89 2HG2 VAL 89 -19.752 1.144 5.428 846 3HG2 VAL 89 3HG2 VAL 89 -18.646 -0.206 5.779 847 MG1 VAL 89 MG1 VAL 89 -17.693 0.674 3.174 848 MG2 VAL 89 MG2 VAL 89 -19.008 0.729 6.003 849 QG VAL 89 QG VAL 89 -18.351 0.702 4.588 850 H SER 90 H SER 90 -15.078 3.609 6.240 851 HA SER 90 HA SER 90 -13.884 3.957 3.634 852 1HB SER 90 1HB SER 90 -14.968 5.731 5.510 853 2HB SER 90 2HB SER 90 -13.241 5.970 5.692 854 HG SER 90 HG SER 90 -14.619 6.022 3.144 855 QB SER 90 QB SER 90 -14.105 5.850 5.601 856 H LEU 91 H LEU 91 -11.526 4.439 3.450 857 HA LEU 91 HA LEU 91 -10.001 2.590 4.924 858 1HB LEU 91 1HB LEU 91 -9.546 4.597 2.792 859 2HB LEU 91 2HB LEU 91 -8.146 4.143 3.743 860 HG LEU 91 HG LEU 91 -9.926 2.101 2.398 861 1HD1 LEU 91 1HD1 LEU 91 -8.768 3.902 0.879 862 2HD1 LEU 91 2HD1 LEU 91 -7.308 2.937 1.207 863 3HD1 LEU 91 3HD1 LEU 91 -8.725 2.177 0.442 864 1HD2 LEU 91 1HD2 LEU 91 -7.938 1.813 4.303 865 2HD2 LEU 91 2HD2 LEU 91 -8.559 0.545 3.219 866 3HD2 LEU 91 3HD2 LEU 91 -7.103 1.465 2.770 867 MD1 LEU 91 MD1 LEU 91 -8.267 3.005 0.843 868 MD2 LEU 91 MD2 LEU 91 -7.867 1.274 3.431 869 QB LEU 91 QB LEU 91 -8.846 4.370 3.267 870 QD LEU 91 QD LEU 91 -8.067 2.140 2.137 871 H SER 92 H SER 92 -10.942 5.933 5.440 872 HA SER 92 HA SER 92 -8.839 6.799 6.959 873 1HB SER 92 1HB SER 92 -11.052 7.981 6.122 874 2HB SER 92 2HB SER 92 -11.694 7.501 7.680 875 HG SER 92 HG SER 92 -9.152 8.816 7.587 876 QB SER 92 QB SER 92 -11.373 7.741 6.901 877 H SER 93 H SER 93 -11.122 4.269 7.579 878 HA SER 93 HA SER 93 -10.282 4.272 10.372 879 1HB SER 93 1HB SER 93 -12.964 4.230 9.234 880 2HB SER 93 2HB SER 93 -12.687 2.766 10.157 881 HG SER 93 HG SER 93 -11.732 4.487 11.797 882 QB SER 93 QB SER 93 -12.826 3.498 9.696 883 H LEU 94 H LEU 94 -8.978 3.052 8.009 884 HA LEU 94 HA LEU 94 -9.548 0.216 8.455 885 1HB LEU 94 1HB LEU 94 -8.646 1.835 6.170 886 2HB LEU 94 2HB LEU 94 -7.777 0.329 6.381 887 HG LEU 94 HG LEU 94 -9.674 0.133 4.825 888 1HD1 LEU 94 1HD1 LEU 94 -8.873 -1.827 6.080 889 2HD1 LEU 94 2HD1 LEU 94 -10.066 -1.486 7.356 890 3HD1 LEU 94 3HD1 LEU 94 -10.614 -1.920 5.719 891 1HD2 LEU 94 1HD2 LEU 94 -11.109 1.421 7.025 892 2HD2 LEU 94 2HD2 LEU 94 -11.503 1.323 5.292 893 3HD2 LEU 94 3HD2 LEU 94 -11.945 -0.013 6.382 894 MD1 LEU 94 MD1 LEU 94 -9.851 -1.745 6.385 895 MD2 LEU 94 MD2 LEU 94 -11.519 0.910 6.233 896 QB LEU 94 QB LEU 94 -8.212 1.082 6.276 897 QD LEU 94 QD LEU 94 -10.685 -0.417 6.309 898 H SER 95 H SER 95 -7.192 -1.009 7.904 899 HA SER 95 HA SER 95 -5.190 -1.479 8.624 900 1HB SER 95 2HB SER 95 -4.816 1.099 8.225 901 2HB SER 95 1HB SER 95 -3.616 0.175 9.106 902 HG SER 95 HG SER 95 -5.769 1.516 10.479 903 QB SER 95 QB SER 95 -4.216 0.637 8.666 904 H LEU 96 H LEU 96 -7.617 -1.976 10.152 905 HA LEU 96 HA LEU 96 -6.517 -1.893 12.876 906 1HB LEU 96 1HB LEU 96 -9.442 -2.170 12.344 907 2HB LEU 96 2HB LEU 96 -8.613 -1.558 13.761 908 HG LEU 96 HG LEU 96 -8.637 -0.081 11.122 909 1HD1 LEU 96 1HD1 LEU 96 -10.682 -0.151 13.311 910 2HD1 LEU 96 2HD1 LEU 96 -10.372 1.374 12.446 911 3HD1 LEU 96 3HD1 LEU 96 -10.897 -0.070 11.546 912 1HD2 LEU 96 1HD2 LEU 96 -6.863 0.458 12.816 913 2HD2 LEU 96 2HD2 LEU 96 -7.921 1.818 12.370 914 3HD2 LEU 96 3HD2 LEU 96 -8.163 0.973 13.918 915 MD1 LEU 96 MD1 LEU 96 -10.650 0.384 12.435 916 MD2 LEU 96 MD2 LEU 96 -7.649 1.083 13.035 917 QB LEU 96 QB LEU 96 -9.028 -1.864 13.053 918 QD LEU 96 QD LEU 96 -9.150 0.734 12.735 919 H ALA 97 H ALA 97 -8.518 -3.746 13.902 920 HA ALA 97 HA ALA 97 -7.226 -6.166 13.067 921 1HB ALA 97 1HB ALA 97 -8.553 -5.163 15.373 922 2HB ALA 97 2HB ALA 97 -9.491 -6.568 14.813 923 3HB ALA 97 3HB ALA 97 -7.756 -6.741 15.171 924 MB ALA 97 MB ALA 97 -8.600 -6.157 15.119 925 H VAL 98 H VAL 98 -8.250 -5.363 10.758 926 HA VAL 98 HA VAL 98 -10.935 -5.869 10.271 927 HB VAL 98 HB VAL 98 -9.766 -4.681 8.659 928 1HG1 VAL 98 1HG1 VAL 98 -7.621 -6.646 9.178 929 2HG1 VAL 98 2HG1 VAL 98 -7.764 -6.121 7.483 930 3HG1 VAL 98 3HG1 VAL 98 -7.524 -4.916 8.771 931 1HG2 VAL 98 1HG2 VAL 98 -11.103 -6.979 7.923 932 2HG2 VAL 98 2HG2 VAL 98 -10.595 -5.675 6.822 933 3HG2 VAL 98 3HG2 VAL 98 -9.571 -7.117 7.027 934 MG1 VAL 98 MG1 VAL 98 -7.636 -5.894 8.478 935 MG2 VAL 98 MG2 VAL 98 -10.423 -6.590 7.257 936 QG VAL 98 QG VAL 98 -9.029 -6.242 7.867 937 HA PRO 99 HA PRO 99 -10.870 -10.207 10.802 938 1HB PRO 99 1HB PRO 99 -13.562 -10.618 10.568 939 2HB PRO 99 2HB PRO 99 -12.788 -10.176 12.076 940 1HG PRO 99 2HG PRO 99 -13.999 -8.217 11.946 941 2HG PRO 99 1HG PRO 99 -14.416 -8.498 10.267 942 1HD PRO 99 1HD PRO 99 -12.835 -6.946 9.654 943 2HD PRO 99 2HD PRO 99 -12.340 -6.752 11.324 944 QB PRO 99 QB PRO 99 -13.175 -10.397 11.322 945 QG PRO 99 QG PRO 99 -14.208 -8.358 11.107 946 QD PRO 99 QD PRO 99 -12.588 -6.849 10.489 947 HA PRO 100 HA PRO 100 -11.126 -11.985 6.952 948 1HB PRO 100 1HB PRO 100 -12.186 -14.476 7.323 949 2HB PRO 100 2HB PRO 100 -10.515 -14.084 7.674 950 1HG PRO 100 1HG PRO 100 -12.755 -14.502 9.556 951 2HG PRO 100 2HG PRO 100 -11.032 -14.534 9.876 952 1HD PRO 100 1HD PRO 100 -12.856 -12.412 10.507 953 2HD PRO 100 2HD PRO 100 -11.117 -12.397 10.720 954 QB PRO 100 QB PRO 100 -11.350 -14.280 7.498 955 QG PRO 100 QG PRO 100 -11.894 -14.518 9.716 956 QD PRO 100 QD PRO 100 -11.987 -12.404 10.613 957 HA PRO 101 HA PRO 101 -14.916 -11.112 5.224 958 1HB PRO 101 1HB PRO 101 -14.327 -11.515 2.586 959 2HB PRO 101 2HB PRO 101 -13.961 -10.025 3.433 960 1HG PRO 101 1HG PRO 101 -12.124 -12.191 2.613 961 2HG PRO 101 2HG PRO 101 -11.743 -10.541 3.064 962 1HD PRO 101 1HD PRO 101 -11.398 -12.885 4.681 963 2HD PRO 101 2HD PRO 101 -11.128 -11.224 5.171 964 QB PRO 101 QB PRO 101 -14.144 -10.770 3.010 965 QG PRO 101 QG PRO 101 -11.934 -11.366 2.839 966 QD PRO 101 QD PRO 101 -11.263 -12.055 4.926 967 H ARG 102 H ARG 102 -16.154 -12.193 3.008 968 HA ARG 102 HA ARG 102 -16.689 -14.799 4.144 969 1HB ARG 102 1HB ARG 102 -18.419 -12.804 3.408 970 2HB ARG 102 2HB ARG 102 -18.386 -13.720 1.914 971 1HG ARG 102 1HG ARG 102 -18.616 -15.499 4.241 972 2HG ARG 102 2HG ARG 102 -19.903 -14.309 4.227 973 1HD ARG 102 1HD ARG 102 -20.824 -15.109 2.237 974 2HD ARG 102 2HD ARG 102 -19.279 -15.645 1.605 975 HE ARG 102 HE ARG 102 -20.068 -17.173 3.955 976 1HH1 ARG 102 1HH1 ARG 102 -20.558 -16.891 0.457 977 2HH1 ARG 102 2HH1 ARG 102 -21.023 -18.548 0.263 978 2HH2 ARG 102 HH2 ARG 102 -21.087 -19.981 2.183 979 QB ARG 102 QB ARG 102 -18.403 -13.262 2.661 980 QG ARG 102 QG ARG 102 -19.260 -14.904 4.234 981 QD ARG 102 QD ARG 102 -20.052 -15.377 1.921 982 QH1 ARG 102 QH1 ARG 102 -20.791 -17.719 0.360 983 H PHE 103 H PHE 103 -15.495 -13.111 1.256 984 HA PHE 103 HA PHE 103 -15.814 -14.782 -0.780 985 1HB PHE 103 2HB PHE 103 -13.620 -13.926 -1.540 986 2HB PHE 103 1HB PHE 103 -13.072 -13.726 0.113 987 HD1 PHE 103 HD1 PHE 103 -15.829 -12.534 -2.111 988 HD2 PHE 103 HD2 PHE 103 -13.097 -11.599 0.999 989 HE1 PHE 103 HE1 PHE 103 -16.612 -10.149 -2.140 990 HE2 PHE 103 HE2 PHE 103 -13.880 -9.214 0.970 991 HZ PHE 103 HZ PHE 103 -15.628 -8.518 -0.600 992 QB PHE 103 QB PHE 103 -13.346 -13.826 -0.713 993 QD PHE 103 QD PHE 103 -14.463 -12.066 -0.556 994 QE PHE 103 QE PHE 103 -15.246 -9.682 -0.585 995 QR PHE 103 QR PHE 103 -14.854 -10.874 -0.571 996 H HIS 104 H HIS 104 -14.372 -16.466 -1.796 997 HA HIS 104 HA HIS 104 -13.998 -18.570 0.052 998 1HB HIS 104 1HB HIS 104 -13.899 -18.171 -2.865 999 2HB HIS 104 2HB HIS 104 -12.780 -19.386 -2.278 1000 HD1 HIS 104 HD1 HIS 104 -14.176 -21.041 -0.314 1001 HD2 HIS 104 HD2 HIS 104 -16.254 -19.347 -3.540 1002 HE1 HIS 104 HE1 HIS 104 -16.291 -22.436 -0.613 1003 QB HIS 104 QB HIS 104 -13.340 -18.778 -2.572 1004 H ASP 105 H ASP 105 -11.787 -19.910 -0.190 1005 HA ASP 105 HA ASP 105 -9.474 -18.390 -0.566 1006 1HB ASP 105 1HB ASP 105 -10.704 -18.046 1.973 1007 2HB ASP 105 2HB ASP 105 -9.385 -19.162 2.260 1008 HD2 ASP 105 HD2 ASP 105 -6.999 -17.415 2.266 1009 QB ASP 105 QB ASP 105 -10.045 -18.604 2.116 No H/Q in entry = 1009 Start of MODEL 12 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.371 0.225 -2.048 3 1HB LEU 7 2HB LEU 7 3.594 1.146 -2.222 4 2HB LEU 7 1HB LEU 7 3.903 0.844 -0.523 5 HG LEU 7 HG LEU 7 1.779 2.415 -0.206 6 1HD1 LEU 7 1HD1 LEU 7 4.577 3.403 -0.823 7 2HD1 LEU 7 2HD1 LEU 7 3.316 4.330 0.026 8 3HD1 LEU 7 3HD1 LEU 7 3.965 2.839 0.750 9 1HD2 LEU 7 1HD2 LEU 7 2.553 2.792 -3.033 10 2HD2 LEU 7 2HD2 LEU 7 1.009 3.104 -2.204 11 3HD2 LEU 7 3HD2 LEU 7 2.334 4.286 -2.089 12 MD1 LEU 7 MD1 LEU 7 3.953 3.524 -0.016 13 MD2 LEU 7 MD2 LEU 7 1.965 3.394 -2.442 14 QB LEU 7 QB LEU 7 3.748 0.995 -1.373 15 QD LEU 7 QD LEU 7 2.959 3.459 -1.229 16 H SER 8 H SER 8 3.769 -0.706 -3.074 17 HA SER 8 HA SER 8 3.364 -3.322 -3.346 18 1HB SER 8 2HB SER 8 5.381 -3.369 -4.483 19 2HB SER 8 1HB SER 8 6.245 -2.515 -3.220 20 HG SER 8 HG SER 8 6.095 -1.015 -4.844 21 QB SER 8 QB SER 8 5.813 -2.942 -3.852 22 H LEU 9 H LEU 9 4.370 -5.297 -2.469 23 HA LEU 9 HA LEU 9 4.220 -5.622 0.185 24 1HB LEU 9 1HB LEU 9 6.132 -7.019 -1.692 25 2HB LEU 9 2HB LEU 9 5.673 -7.595 -0.102 26 HG LEU 9 HG LEU 9 4.127 -7.585 -2.651 27 1HD1 LEU 9 1HD1 LEU 9 4.957 -9.487 -0.559 28 2HD1 LEU 9 2HD1 LEU 9 3.306 -9.725 -1.180 29 3HD1 LEU 9 3HD1 LEU 9 4.687 -9.729 -2.302 30 1HD2 LEU 9 1HD2 LEU 9 2.881 -7.174 0.067 31 2HD2 LEU 9 2HD2 LEU 9 2.594 -6.277 -1.444 32 3HD2 LEU 9 3HD2 LEU 9 2.008 -7.949 -1.276 33 MD1 LEU 9 MD1 LEU 9 4.316 -9.647 -1.347 34 MD2 LEU 9 MD2 LEU 9 2.494 -7.133 -0.884 35 QB LEU 9 QB LEU 9 5.902 -7.307 -0.897 36 QD LEU 9 QD LEU 9 3.405 -8.390 -1.116 37 H THR 10 H THR 10 6.990 -4.297 -1.652 38 HA THR 10 HA THR 10 8.905 -4.387 0.353 39 HB THR 10 HB THR 10 8.384 -2.418 -1.933 40 HG1 THR 10 HG1 THR 10 10.249 -4.639 -1.507 41 1HG2 THR 10 1HG2 THR 10 10.768 -2.830 -0.079 42 2HG2 THR 10 2HG2 THR 10 10.993 -2.261 -1.751 43 3HG2 THR 10 3HG2 THR 10 10.034 -1.296 -0.604 44 MG THR 10 MG THR 10 10.599 -2.129 -0.811 45 H GLN 11 H GLN 11 6.995 -1.431 -0.533 46 HA GLN 11 HA GLN 11 7.702 -0.107 1.776 47 1HB GLN 11 1HB GLN 11 5.814 0.264 -0.454 48 2HB GLN 11 2HB GLN 11 5.214 0.955 1.040 49 1HG GLN 11 2HG GLN 11 7.876 1.757 1.076 50 2HG GLN 11 1HG GLN 11 6.529 2.752 0.560 51 2HE2 GLN 11 1HE2 GLN 11 5.751 2.035 -1.776 52 1HE2 GLN 11 2HE2 GLN 11 6.997 2.021 -2.979 53 QB GLN 11 QB GLN 11 5.514 0.609 0.293 54 QG GLN 11 QG GLN 11 7.202 2.254 0.818 55 QE GLN 11 QE GLN 11 6.374 2.028 -2.377 56 H LEU 12 H LEU 12 5.070 -2.411 1.070 57 HA LEU 12 HA LEU 12 3.313 -1.946 3.071 58 1HB LEU 12 1HB LEU 12 3.594 -3.826 1.205 59 2HB LEU 12 2HB LEU 12 4.132 -4.767 2.582 60 HG LEU 12 HG LEU 12 1.739 -5.073 2.079 61 1HD1 LEU 12 1HD1 LEU 12 2.839 -4.269 4.665 62 2HD1 LEU 12 2HD1 LEU 12 1.074 -4.063 4.562 63 3HD1 LEU 12 3HD1 LEU 12 1.806 -5.652 4.232 64 1HD2 LEU 12 1HD2 LEU 12 1.483 -2.621 1.320 65 2HD2 LEU 12 2HD2 LEU 12 0.130 -3.393 2.181 66 3HD2 LEU 12 3HD2 LEU 12 1.209 -2.270 3.043 67 MD1 LEU 12 MD1 LEU 12 1.906 -4.661 4.486 68 MD2 LEU 12 MD2 LEU 12 0.941 -2.761 2.181 69 QB LEU 12 QB LEU 12 3.863 -4.296 1.894 70 QD LEU 12 QD LEU 12 1.424 -3.711 3.334 71 H SER 13 H SER 13 6.520 -3.569 3.306 72 HA SER 13 HA SER 13 6.698 -2.794 6.007 73 1HB SER 13 1HB SER 13 5.807 -5.559 5.356 74 2HB SER 13 2HB SER 13 7.143 -5.474 6.486 75 HG SER 13 HG SER 13 5.762 -3.827 7.670 76 QB SER 13 QB SER 13 6.475 -5.516 5.921 77 H SER 14 H SER 14 8.412 -1.911 4.294 78 HA SER 14 HA SER 14 10.398 -1.974 3.368 79 1HB SER 14 1HB SER 14 10.595 -2.498 6.171 80 2HB SER 14 2HB SER 14 11.830 -3.472 5.400 81 HG SER 14 HG SER 14 12.440 -1.204 5.995 82 QB SER 14 QB SER 14 11.212 -2.985 5.786 83 H GLY 15 H GLY 15 8.658 -4.324 2.730 84 1HA GLY 15 1HA GLY 15 8.856 -6.176 1.461 85 2HA GLY 15 2HA GLY 15 10.586 -5.907 1.374 86 QA GLY 15 QA GLY 15 9.721 -6.042 1.418 87 H ASN 16 H ASN 16 8.365 -6.514 4.189 88 HA ASN 16 HA ASN 16 10.277 -8.370 5.209 89 1HB ASN 16 1HB ASN 16 8.745 -6.680 6.535 90 2HB ASN 16 2HB ASN 16 7.485 -7.881 6.332 91 2HD2 ASN 16 1HD2 ASN 16 8.800 -6.910 8.742 92 1HD2 ASN 16 2HD2 ASN 16 9.485 -8.281 9.550 93 QB ASN 16 QB ASN 16 8.115 -7.280 6.434 94 QD ASN 16 QD ASN 16 9.142 -7.595 9.146 95 HA PRO 17 HA PRO 17 8.016 -11.636 3.224 96 1HB PRO 17 1HB PRO 17 9.796 -13.649 3.725 97 2HB PRO 17 2HB PRO 17 9.923 -12.579 2.343 98 1HG PRO 17 1HG PRO 17 11.521 -12.592 4.829 99 2HG PRO 17 2HG PRO 17 11.891 -11.838 3.291 100 1HD PRO 17 1HD PRO 17 10.954 -10.526 5.663 101 2HD PRO 17 2HD PRO 17 11.212 -9.793 4.092 102 QB PRO 17 QB PRO 17 9.860 -13.114 3.034 103 QG PRO 17 QG PRO 17 11.706 -12.215 4.060 104 QD PRO 17 QD PRO 17 11.083 -10.160 4.878 105 H VAL 18 H VAL 18 8.379 -10.975 6.380 106 HA VAL 18 HA VAL 18 7.701 -13.378 7.605 107 HB VAL 18 HB VAL 18 8.553 -11.357 8.719 108 1HG1 VAL 18 1HG1 VAL 18 6.931 -9.843 7.348 109 2HG1 VAL 18 2HG1 VAL 18 5.783 -10.178 8.666 110 3HG1 VAL 18 3HG1 VAL 18 7.341 -9.394 9.020 111 1HG2 VAL 18 1HG2 VAL 18 6.019 -12.676 9.671 112 2HG2 VAL 18 2HG2 VAL 18 7.691 -12.882 10.247 113 3HG2 VAL 18 3HG2 VAL 18 6.789 -11.400 10.644 114 MG1 VAL 18 MG1 VAL 18 6.685 -9.805 8.345 115 MG2 VAL 18 MG2 VAL 18 6.833 -12.319 10.187 116 QG VAL 18 QG VAL 18 6.759 -11.062 9.266 117 H TYR 19 H TYR 19 5.716 -10.836 6.019 118 HA TYR 19 HA TYR 19 3.232 -11.855 6.856 119 1HB TYR 19 1HB TYR 19 4.416 -10.076 4.684 120 2HB TYR 19 2HB TYR 19 2.739 -10.551 4.503 121 HD1 TYR 19 HD1 TYR 19 5.092 -8.922 6.908 122 HD2 TYR 19 HD2 TYR 19 1.039 -9.362 5.610 123 HE1 TYR 19 HE1 TYR 19 4.383 -7.035 8.458 124 HE2 TYR 19 HE2 TYR 19 0.344 -7.474 7.164 125 HH TYR 19 HH TYR 19 1.134 -5.738 8.350 126 QB TYR 19 QB TYR 19 3.577 -10.314 4.594 127 QD TYR 19 QD TYR 19 3.065 -9.142 6.259 128 QE TYR 19 QE TYR 19 2.363 -7.255 7.811 129 QR TYR 19 QR TYR 19 2.714 -8.198 7.035 130 H GLU 20 H GLU 20 5.437 -12.638 4.154 131 HA GLU 20 HA GLU 20 3.673 -13.914 2.513 132 1HB GLU 20 1HB GLU 20 6.513 -13.660 2.783 133 2HB GLU 20 2HB GLU 20 6.178 -15.366 2.560 134 1HG GLU 20 1HG GLU 20 4.604 -13.590 0.769 135 2HG GLU 20 2HG GLU 20 6.335 -13.493 0.517 136 HE2 GLU 20 HE2 GLU 20 5.754 -14.730 -1.577 137 QB GLU 20 QB GLU 20 6.346 -14.513 2.672 138 QG GLU 20 QG GLU 20 5.469 -13.541 0.643 139 H LYS 21 H LYS 21 5.161 -14.990 5.568 140 HA LYS 21 HA LYS 21 4.619 -17.721 5.297 141 1HB LYS 21 1HB LYS 21 5.918 -17.641 7.100 142 2HB LYS 21 2HB LYS 21 5.660 -15.917 7.283 143 1HG LYS 21 1HG LYS 21 3.713 -16.233 8.650 144 2HG LYS 21 2HG LYS 21 3.543 -17.911 8.172 145 1HD LYS 21 1HD LYS 21 4.606 -18.344 10.154 146 2HD LYS 21 2HD LYS 21 6.063 -17.988 9.247 147 1HE LYS 21 1HE LYS 21 6.426 -16.439 10.902 148 2HE LYS 21 2HE LYS 21 5.336 -15.444 9.957 149 QB LYS 21 QB LYS 21 5.789 -16.779 7.191 150 QD LYS 21 QD LYS 21 5.335 -18.166 9.701 151 QG LYS 21 QG LYS 21 3.628 -17.072 8.411 152 QE LYS 21 QE LYS 21 5.881 -15.942 10.429 153 QZ LYS 21 QZ LYS 21 4.550 -16.225 12.230 154 H TYR 22 H TYR 22 2.658 -14.926 6.385 155 HA TYR 22 HA TYR 22 0.506 -16.595 7.276 156 1HB TYR 22 1HB TYR 22 0.774 -13.613 6.538 157 2HB TYR 22 2HB TYR 22 -0.571 -14.284 7.438 158 HD1 TYR 22 HD1 TYR 22 0.986 -16.155 9.258 159 HD2 TYR 22 HD2 TYR 22 1.662 -12.088 8.114 160 HE1 TYR 22 HE1 TYR 22 2.241 -15.744 11.431 161 HE2 TYR 22 HE2 TYR 22 2.914 -11.691 10.291 162 HH TYR 22 HH TYR 22 4.271 -13.647 11.969 163 QB TYR 22 QB TYR 22 0.102 -13.948 6.988 164 QD TYR 22 QD TYR 22 1.324 -14.121 8.686 165 QE TYR 22 QE TYR 22 2.577 -13.718 10.861 166 QR TYR 22 QR TYR 22 1.951 -13.920 9.774 167 H TYR 23 H TYR 23 1.163 -14.459 4.420 168 HA TYR 23 HA TYR 23 -1.284 -14.713 3.186 169 1HB TYR 23 1HB TYR 23 0.353 -13.175 2.308 170 2HB TYR 23 2HB TYR 23 1.641 -14.359 2.401 171 HD1 TYR 23 HD1 TYR 23 1.706 -16.242 0.694 172 HD2 TYR 23 HD2 TYR 23 -0.897 -12.869 0.308 173 HE1 TYR 23 HE1 TYR 23 1.415 -16.742 -1.782 174 HE2 TYR 23 HE2 TYR 23 -1.180 -13.380 -2.167 175 HH TYR 23 HH TYR 23 0.618 -14.827 -3.922 176 QB TYR 23 QB TYR 23 0.997 -13.767 2.354 177 QD TYR 23 QD TYR 23 0.404 -14.556 0.501 178 QE TYR 23 QE TYR 23 0.118 -15.061 -1.974 179 QR TYR 23 QR TYR 23 0.261 -14.809 -0.737 180 H ARG 24 H ARG 24 1.285 -17.092 3.592 181 HA ARG 24 HA ARG 24 0.182 -18.701 1.475 182 1HB ARG 24 1HB ARG 24 2.666 -18.533 1.756 183 2HB ARG 24 2HB ARG 24 2.534 -19.209 3.367 184 1HG ARG 24 1HG ARG 24 2.471 -21.328 2.554 185 2HG ARG 24 2HG ARG 24 1.147 -20.936 1.474 186 1HD ARG 24 1HD ARG 24 2.540 -20.587 -0.335 187 2HD ARG 24 2HD ARG 24 3.795 -19.842 0.636 188 HE ARG 24 HE ARG 24 3.829 -22.506 1.443 189 1HH1 ARG 24 1HH1 ARG 24 4.138 -20.859 -1.679 190 2HH1 ARG 24 2HH1 ARG 24 5.146 -22.088 -2.368 191 2HH2 ARG 24 HH2 ARG 24 5.733 -24.000 -1.048 192 QB ARG 24 QB ARG 24 2.600 -18.871 2.562 193 QG ARG 24 QG ARG 24 1.809 -21.132 2.014 194 QD ARG 24 QD ARG 24 3.168 -20.215 0.150 195 QH1 ARG 24 QH1 ARG 24 4.642 -21.474 -2.023 196 H GLN 25 H GLN 25 0.040 -18.264 4.945 197 HA GLN 25 HA GLN 25 -0.522 -20.861 5.718 198 1HB GLN 25 1HB GLN 25 -0.954 -18.121 6.858 199 2HB GLN 25 2HB GLN 25 -1.885 -19.423 7.571 200 1HG GLN 25 1HG GLN 25 0.680 -20.534 7.343 201 2HG GLN 25 2HG GLN 25 1.010 -18.865 7.764 202 2HE2 GLN 25 1HE2 GLN 25 -0.483 -17.964 9.515 203 1HE2 GLN 25 2HE2 GLN 25 -0.731 -18.953 10.915 204 QB GLN 25 QB GLN 25 -1.419 -18.772 7.214 205 QG GLN 25 QG GLN 25 0.845 -19.700 7.553 206 QE GLN 25 QE GLN 25 -0.607 -18.459 10.215 207 H VAL 26 H VAL 26 -2.559 -18.251 4.355 208 HA VAL 26 HA VAL 26 -4.983 -19.732 4.812 209 HB VAL 26 HB VAL 26 -6.065 -17.842 4.153 210 1HG1 VAL 26 1HG1 VAL 26 -4.289 -17.384 5.966 211 2HG1 VAL 26 2HG1 VAL 26 -3.412 -16.501 4.693 212 3HG1 VAL 26 3HG1 VAL 26 -5.048 -15.984 5.169 213 1HG2 VAL 26 1HG2 VAL 26 -3.822 -17.500 2.180 214 2HG2 VAL 26 2HG2 VAL 26 -5.578 -17.580 1.902 215 3HG2 VAL 26 3HG2 VAL 26 -4.854 -16.112 2.600 216 MG1 VAL 26 MG1 VAL 26 -4.250 -16.623 5.276 217 MG2 VAL 26 MG2 VAL 26 -4.751 -17.064 2.228 218 QG VAL 26 QG VAL 26 -4.500 -16.843 3.752 219 H GLU 27 H GLU 27 -2.487 -19.418 2.345 220 HA GLU 27 HA GLU 27 -3.850 -20.035 0.093 221 1HB GLU 27 1HB GLU 27 -1.419 -19.491 0.228 222 2HB GLU 27 2HB GLU 27 -1.101 -21.070 0.919 223 1HG GLU 27 1HG GLU 27 -2.648 -21.495 -1.467 224 2HG GLU 27 2HG GLU 27 -1.388 -20.346 -1.872 225 HE2 GLU 27 HE2 GLU 27 -0.243 -23.900 -2.040 226 QB GLU 27 QB GLU 27 -1.260 -20.280 0.573 227 QG GLU 27 QG GLU 27 -2.018 -20.920 -1.669 228 H ALA 28 H ALA 28 -4.505 -21.967 -0.985 229 HA ALA 28 HA ALA 28 -4.550 -24.337 0.757 230 1HB ALA 28 2HB ALA 28 -6.738 -24.814 -0.538 231 2HB ALA 28 3HB ALA 28 -6.779 -23.542 0.707 232 3HB ALA 28 1HB ALA 28 -6.676 -23.099 -1.014 233 MB ALA 28 MB ALA 28 -6.731 -23.819 -0.281 234 H GLY 29 H GLY 29 -4.198 -26.367 -0.258 235 1HA GLY 29 1HA GLY 29 -3.606 -27.797 -1.921 236 2HA GLY 29 2HA GLY 29 -3.830 -26.526 -3.107 237 QA GLY 29 QA GLY 29 -3.718 -27.162 -2.514 238 H ASN 30 H ASN 30 -1.728 -27.790 -3.837 239 HA ASN 30 HA ASN 30 0.539 -26.544 -2.496 240 1HB ASN 30 1HB ASN 30 0.186 -29.210 -2.922 241 2HB ASN 30 2HB ASN 30 0.912 -28.802 -4.464 242 2HD2 ASN 30 1HD2 ASN 30 1.540 -29.851 -1.446 243 1HD2 ASN 30 2HD2 ASN 30 3.188 -29.361 -1.237 244 QB ASN 30 QB ASN 30 0.549 -29.006 -3.693 245 QD ASN 30 QD ASN 30 2.364 -29.606 -1.341 246 H THR 31 H THR 31 -1.024 -25.013 -4.320 247 HA THR 31 HA THR 31 0.517 -25.108 -6.823 248 HB THR 31 HB THR 31 -1.445 -23.786 -7.699 249 HG1 THR 31 HG1 THR 31 -2.425 -22.815 -5.946 250 1HG2 THR 31 1HG2 THR 31 -1.497 -26.398 -7.551 251 2HG2 THR 31 2HG2 THR 31 -2.532 -26.160 -6.123 252 3HG2 THR 31 3HG2 THR 31 -3.059 -25.562 -7.715 253 MG THR 31 MG THR 31 -2.363 -26.040 -7.130 254 H GLY 32 H GLY 32 -0.134 -23.257 -3.903 255 1HA GLY 32 1HA GLY 32 1.183 -21.564 -3.096 256 2HA GLY 32 2HA GLY 32 1.974 -21.408 -4.653 257 QA GLY 32 QA GLY 32 1.578 -21.486 -3.874 258 H ARG 33 H ARG 33 -1.586 -21.491 -4.263 259 HA ARG 33 HA ARG 33 -1.580 -18.648 -4.889 260 1HB ARG 33 1HB ARG 33 -3.088 -20.937 -6.167 261 2HB ARG 33 2HB ARG 33 -3.890 -19.382 -6.071 262 1HG ARG 33 1HG ARG 33 -2.151 -18.290 -7.348 263 2HG ARG 33 2HG ARG 33 -1.070 -19.660 -7.188 264 1HD ARG 33 1HD ARG 33 -2.165 -20.905 -8.827 265 2HD ARG 33 2HD ARG 33 -3.733 -20.208 -8.469 266 HE ARG 33 HE ARG 33 -3.275 -18.417 -9.938 267 1HH1 ARG 33 1HH1 ARG 33 -0.337 -20.330 -9.420 268 2HH1 ARG 33 2HH1 ARG 33 0.541 -19.556 -10.697 269 2HH2 ARG 33 HH2 ARG 33 -0.525 -17.834 -11.979 270 QB ARG 33 QB ARG 33 -3.489 -20.159 -6.119 271 QG ARG 33 QG ARG 33 -1.611 -18.975 -7.268 272 QD ARG 33 QD ARG 33 -2.949 -20.556 -8.648 273 QH1 ARG 33 QH1 ARG 33 0.102 -19.943 -10.059 274 H VAL 34 H VAL 34 -3.110 -17.379 -3.749 275 HA VAL 34 HA VAL 34 -4.294 -18.679 -1.470 276 HB VAL 34 HB VAL 34 -4.168 -15.811 -2.416 277 1HG1 VAL 34 1HG1 VAL 34 -5.510 -17.054 -0.022 278 2HG1 VAL 34 2HG1 VAL 34 -4.846 -15.405 0.068 279 3HG1 VAL 34 3HG1 VAL 34 -6.106 -15.792 -1.127 280 1HG2 VAL 34 1HG2 VAL 34 -2.125 -17.266 -1.458 281 2HG2 VAL 34 2HG2 VAL 34 -2.325 -15.533 -1.102 282 3HG2 VAL 34 3HG2 VAL 34 -2.847 -16.752 0.085 283 MG1 VAL 34 MG1 VAL 34 -5.487 -16.084 -0.360 284 MG2 VAL 34 MG2 VAL 34 -2.432 -16.517 -0.825 285 QG VAL 34 QG VAL 34 -3.960 -16.300 -0.593 286 H LEU 35 H LEU 35 -6.100 -19.881 -1.894 287 HA LEU 35 HA LEU 35 -7.835 -19.477 -3.992 288 1HB LEU 35 1HB LEU 35 -7.624 -21.136 -1.669 289 2HB LEU 35 2HB LEU 35 -9.278 -20.572 -1.809 290 HG LEU 35 HG LEU 35 -7.756 -21.921 -4.054 291 1HD1 LEU 35 1HD1 LEU 35 -9.177 -23.039 -1.727 292 2HD1 LEU 35 2HD1 LEU 35 -9.661 -23.717 -3.300 293 3HD1 LEU 35 3HD1 LEU 35 -7.955 -23.768 -2.796 294 1HD2 LEU 35 1HD2 LEU 35 -10.527 -20.842 -3.756 295 2HD2 LEU 35 2HD2 LEU 35 -9.425 -20.810 -5.153 296 3HD2 LEU 35 3HD2 LEU 35 -10.281 -22.312 -4.729 297 MD1 LEU 35 MD1 LEU 35 -8.931 -23.508 -2.608 298 MD2 LEU 35 MD2 LEU 35 -10.077 -21.321 -4.546 299 QB LEU 35 QB LEU 35 -8.451 -20.854 -1.739 300 QD LEU 35 QD LEU 35 -9.504 -22.415 -3.577 301 H ALA 36 H ALA 36 -7.354 -17.573 -1.142 302 HA ALA 36 HA ALA 36 -8.248 -15.552 -0.718 303 1HB ALA 36 1HB ALA 36 -9.106 -15.718 -3.193 304 2HB ALA 36 3HB ALA 36 -9.869 -14.558 -2.079 305 3HB ALA 36 2HB ALA 36 -10.668 -16.109 -2.434 306 MB ALA 36 MB ALA 36 -9.881 -15.462 -2.569 307 H LEU 37 H LEU 37 -10.785 -18.114 -1.191 308 HA LEU 37 HA LEU 37 -12.518 -17.423 0.748 309 1HB LEU 37 1HB LEU 37 -11.634 -19.974 -0.463 310 2HB LEU 37 2HB LEU 37 -12.533 -20.107 1.035 311 HG LEU 37 HG LEU 37 -14.154 -18.398 -0.275 312 1HD1 LEU 37 1HD1 LEU 37 -12.764 -20.001 -2.432 313 2HD1 LEU 37 2HD1 LEU 37 -14.352 -19.224 -2.639 314 3HD1 LEU 37 3HD1 LEU 37 -12.913 -18.232 -2.301 315 1HD2 LEU 37 1HD2 LEU 37 -14.757 -20.544 0.796 316 2HD2 LEU 37 2HD2 LEU 37 -15.583 -20.287 -0.760 317 3HD2 LEU 37 3HD2 LEU 37 -14.200 -21.403 -0.660 318 MD1 LEU 37 MD1 LEU 37 -13.343 -19.152 -2.457 319 MD2 LEU 37 MD2 LEU 37 -14.846 -20.745 -0.208 320 QB LEU 37 QB LEU 37 -12.083 -20.041 0.286 321 QD LEU 37 QD LEU 37 -14.095 -19.948 -1.333 322 H ASP 38 H ASP 38 -9.550 -19.460 1.235 323 HA ASP 38 HA ASP 38 -9.862 -19.763 3.934 324 1HB ASP 38 1HB ASP 38 -7.729 -20.058 1.939 325 2HB ASP 38 2HB ASP 38 -7.072 -19.526 3.474 326 HD2 ASP 38 HD2 ASP 38 -6.821 -22.075 2.150 327 QB ASP 38 QB ASP 38 -7.401 -19.792 2.706 328 H ALA 39 H ALA 39 -8.240 -17.190 1.971 329 HA ALA 39 HA ALA 39 -6.945 -15.778 3.900 330 1HB ALA 39 1HB ALA 39 -7.804 -15.420 1.212 331 2HB ALA 39 2HB ALA 39 -8.295 -13.961 2.106 332 3HB ALA 39 3HB ALA 39 -6.590 -14.474 2.107 333 MB ALA 39 MB ALA 39 -7.563 -14.618 1.809 334 H ALA 40 H ALA 40 -10.423 -15.441 2.907 335 HA ALA 40 HA ALA 40 -11.088 -13.440 4.684 336 1HB ALA 40 1HB ALA 40 -12.399 -15.338 2.929 337 2HB ALA 40 3HB ALA 40 -12.952 -13.733 3.464 338 3HB ALA 40 2HB ALA 40 -13.317 -15.173 4.445 339 MB ALA 40 MB ALA 40 -12.889 -14.748 3.613 340 H ALA 41 H ALA 41 -10.482 -16.895 5.195 341 HA ALA 41 HA ALA 41 -11.783 -17.039 7.712 342 1HB ALA 41 3HB ALA 41 -11.181 -19.239 7.608 343 2HB ALA 41 2HB ALA 41 -9.518 -18.869 7.091 344 3HB ALA 41 1HB ALA 41 -10.846 -18.844 5.905 345 MB ALA 41 MB ALA 41 -10.515 -18.984 6.868 346 H PHE 42 H PHE 42 -8.295 -16.808 6.704 347 HA PHE 42 HA PHE 42 -7.283 -16.587 9.271 348 1HB PHE 42 1HB PHE 42 -5.917 -17.020 7.255 349 2HB PHE 42 2HB PHE 42 -6.455 -15.528 6.510 350 HD1 PHE 42 HD1 PHE 42 -4.708 -16.648 9.620 351 HD2 PHE 42 HD2 PHE 42 -4.998 -13.746 6.537 352 HE1 PHE 42 HE1 PHE 42 -2.702 -15.460 10.549 353 HE2 PHE 42 HE2 PHE 42 -2.991 -12.558 7.467 354 HZ PHE 42 HZ PHE 42 -1.867 -13.430 9.461 355 QB PHE 42 QB PHE 42 -6.186 -16.274 6.882 356 QD PHE 42 QD PHE 42 -4.853 -15.197 8.078 357 QE PHE 42 QE PHE 42 -2.846 -14.009 9.008 358 QR PHE 42 QR PHE 42 -3.850 -14.603 8.543 359 H LEU 43 H LEU 43 -8.715 -14.149 7.079 360 HA LEU 43 HA LEU 43 -7.795 -11.914 8.546 361 1HB LEU 43 1HB LEU 43 -9.965 -12.332 6.499 362 2HB LEU 43 2HB LEU 43 -9.668 -10.774 7.243 363 HG LEU 43 HG LEU 43 -7.609 -12.348 5.672 364 1HD1 LEU 43 1HD1 LEU 43 -9.839 -10.924 4.704 365 2HD1 LEU 43 2HD1 LEU 43 -8.421 -9.885 4.424 366 3HD1 LEU 43 3HD1 LEU 43 -8.448 -11.545 3.783 367 1HD2 LEU 43 1HD2 LEU 43 -7.518 -9.833 7.239 368 2HD2 LEU 43 2HD2 LEU 43 -6.237 -11.013 6.868 369 3HD2 LEU 43 3HD2 LEU 43 -6.715 -9.806 5.650 370 MD1 LEU 43 MD1 LEU 43 -8.903 -10.785 4.304 371 MD2 LEU 43 MD2 LEU 43 -6.823 -10.217 6.586 372 QB LEU 43 QB LEU 43 -9.816 -11.553 6.871 373 QD LEU 43 QD LEU 43 -7.863 -10.501 5.445 374 H LYS 44 H LYS 44 -10.832 -13.869 8.546 375 HA LYS 44 HA LYS 44 -12.277 -12.325 10.305 376 1HB LYS 44 1HB LYS 44 -12.281 -15.170 9.437 377 2HB LYS 44 2HB LYS 44 -13.139 -14.810 10.922 378 1HG LYS 44 1HG LYS 44 -13.878 -12.718 9.169 379 2HG LYS 44 2HG LYS 44 -13.859 -14.145 8.151 380 1HD LYS 44 1HD LYS 44 -15.256 -14.125 10.859 381 2HD LYS 44 2HD LYS 44 -16.070 -13.605 9.397 382 1HE LYS 44 1HE LYS 44 -15.148 -15.947 8.453 383 2HE LYS 44 2HE LYS 44 -15.106 -16.365 10.154 384 QB LYS 44 QB LYS 44 -12.710 -14.990 10.180 385 QD LYS 44 QD LYS 44 -15.663 -13.865 10.128 386 QG LYS 44 QG LYS 44 -13.868 -13.432 8.660 387 QE LYS 44 QE LYS 44 -15.127 -16.156 9.304 388 QZ LYS 44 QZ LYS 44 -17.344 -16.399 9.157 389 H LYS 45 H LYS 45 -9.346 -14.116 10.825 390 HA LYS 45 HA LYS 45 -9.765 -14.548 13.617 391 1HB LYS 45 2HB LYS 45 -7.555 -15.423 13.621 392 2HB LYS 45 1HB LYS 45 -7.123 -14.578 12.148 393 1HG LYS 45 1HG LYS 45 -9.431 -16.544 12.116 394 2HG LYS 45 2HG LYS 45 -8.427 -16.016 10.780 395 1HD LYS 45 1HD LYS 45 -6.544 -17.321 11.536 396 2HD LYS 45 2HD LYS 45 -7.262 -17.588 13.112 397 1HE LYS 45 1HE LYS 45 -8.968 -18.525 10.870 398 2HE LYS 45 2HE LYS 45 -7.420 -19.342 10.953 399 QB LYS 45 QB LYS 45 -7.339 -15.001 12.885 400 QD LYS 45 QD LYS 45 -6.903 -17.454 12.324 401 QG LYS 45 QG LYS 45 -8.929 -16.280 11.448 402 QE LYS 45 QE LYS 45 -8.194 -18.934 10.912 403 QZ LYS 45 QZ LYS 45 -9.162 -19.556 12.959 404 H SER 46 H SER 46 -9.503 -11.758 11.849 405 HA SER 46 HA SER 46 -7.545 -10.379 13.289 406 1HB SER 46 2HB SER 46 -8.537 -9.749 11.028 407 2HB SER 46 1HB SER 46 -8.347 -8.424 12.159 408 HG SER 46 HG SER 46 -10.756 -9.782 11.363 409 QB SER 46 QB SER 46 -8.442 -9.086 11.593 410 H GLY 47 H GLY 47 -11.185 -10.321 13.450 411 1HA GLY 47 1HA GLY 47 -11.836 -10.585 15.933 412 2HA GLY 47 2HA GLY 47 -10.991 -9.059 16.102 413 QA GLY 47 QA GLY 47 -11.413 -9.822 16.017 414 H LEU 48 H LEU 48 -11.753 -8.043 13.401 415 HA LEU 48 HA LEU 48 -14.158 -6.801 14.136 416 1HB LEU 48 1HB LEU 48 -12.347 -6.833 11.785 417 2HB LEU 48 2HB LEU 48 -13.987 -6.283 11.508 418 HG LEU 48 HG LEU 48 -13.578 -4.705 13.530 419 1HD1 LEU 48 1HD1 LEU 48 -10.730 -5.444 12.811 420 2HD1 LEU 48 2HD1 LEU 48 -11.198 -4.022 13.774 421 3HD1 LEU 48 3HD1 LEU 48 -11.543 -5.659 14.380 422 1HD2 LEU 48 1HD2 LEU 48 -13.159 -4.466 10.727 423 2HD2 LEU 48 2HD2 LEU 48 -13.619 -3.207 11.899 424 3HD2 LEU 48 3HD2 LEU 48 -11.901 -3.514 11.551 425 MD1 LEU 48 MD1 LEU 48 -11.157 -5.042 13.655 426 MD2 LEU 48 MD2 LEU 48 -12.893 -3.729 11.392 427 QB LEU 48 QB LEU 48 -13.167 -6.558 11.647 428 QD LEU 48 QD LEU 48 -12.025 -4.386 12.524 429 HA PRO 49 HA PRO 49 -17.161 -9.444 12.517 430 1HB PRO 49 1HB PRO 49 -19.045 -7.767 11.465 431 2HB PRO 49 2HB PRO 49 -18.892 -8.079 13.183 432 1HG PRO 49 2HG PRO 49 -18.338 -5.849 13.382 433 2HG PRO 49 1HG PRO 49 -18.088 -5.679 11.656 434 1HD PRO 49 1HD PRO 49 -15.818 -5.734 12.017 435 2HD PRO 49 2HD PRO 49 -16.072 -6.021 13.727 436 QB PRO 49 QB PRO 49 -18.969 -7.923 12.324 437 QG PRO 49 QG PRO 49 -18.213 -5.764 12.519 438 QD PRO 49 QD PRO 49 -15.945 -5.878 12.872 439 H ASP 50 H ASP 50 -18.910 -9.418 10.376 440 HA ASP 50 HA ASP 50 -16.942 -9.913 8.318 441 1HB ASP 50 1HB ASP 50 -18.609 -11.686 8.906 442 2HB ASP 50 2HB ASP 50 -19.915 -10.599 8.480 443 HD2 ASP 50 HD2 ASP 50 -17.727 -12.095 5.458 444 QB ASP 50 QB ASP 50 -19.262 -11.142 8.693 445 H LEU 51 H LEU 51 -19.595 -7.788 9.286 446 HA LEU 51 HA LEU 51 -20.396 -6.852 6.784 447 1HB LEU 51 1HB LEU 51 -21.890 -6.136 8.262 448 2HB LEU 51 2HB LEU 51 -20.748 -6.163 9.591 449 HG LEU 51 HG LEU 51 -19.869 -3.962 8.881 450 1HD1 LEU 51 1HD1 LEU 51 -21.921 -4.273 6.697 451 2HD1 LEU 51 2HD1 LEU 51 -21.369 -2.670 7.238 452 3HD1 LEU 51 3HD1 LEU 51 -20.200 -3.836 6.574 453 1HD2 LEU 51 1HD2 LEU 51 -21.792 -4.291 10.518 454 2HD2 LEU 51 2HD2 LEU 51 -21.614 -2.675 9.796 455 3HD2 LEU 51 3HD2 LEU 51 -22.867 -3.785 9.193 456 MD1 LEU 51 MD1 LEU 51 -21.164 -3.593 6.836 457 MD2 LEU 51 MD2 LEU 51 -22.091 -3.584 9.836 458 QB LEU 51 QB LEU 51 -21.319 -6.149 8.927 459 QD LEU 51 QD LEU 51 -21.627 -3.588 8.336 460 H ILE 52 H ILE 52 -18.205 -5.204 9.177 461 HA ILE 52 HA ILE 52 -17.316 -3.277 7.411 462 HB ILE 52 HB ILE 52 -16.038 -4.513 9.846 463 1HG1 ILE 52 1HG1 ILE 52 -18.298 -3.183 9.872 464 2HG1 ILE 52 2HG1 ILE 52 -17.078 -2.899 11.098 465 1HG2 ILE 52 1HG2 ILE 52 -15.179 -2.077 8.264 466 2HG2 ILE 52 2HG2 ILE 52 -14.605 -2.482 9.899 467 3HG2 ILE 52 3HG2 ILE 52 -14.253 -3.572 8.537 468 1HD1 ILE 52 1HD1 ILE 52 -17.414 -1.246 8.551 469 2HD1 ILE 52 2HD1 ILE 52 -17.963 -0.765 10.174 470 3HD1 ILE 52 3HD1 ILE 52 -16.224 -0.942 9.840 471 MG ILE 52 MG ILE 52 -14.679 -2.710 8.900 472 MD ILE 52 MD ILE 52 -17.200 -0.984 9.522 473 QG ILE 52 QG ILE 52 -17.688 -3.041 10.485 474 H LEU 53 H LEU 53 -16.272 -6.658 7.919 475 HA LEU 53 HA LEU 53 -13.891 -6.464 6.450 476 1HB LEU 53 1HB LEU 53 -15.607 -8.576 7.577 477 2HB LEU 53 2HB LEU 53 -14.668 -9.062 6.179 478 HG LEU 53 HG LEU 53 -13.569 -7.889 8.749 479 1HD1 LEU 53 1HD1 LEU 53 -14.264 -10.571 7.991 480 2HD1 LEU 53 2HD1 LEU 53 -12.502 -10.449 8.215 481 3HD1 LEU 53 3HD1 LEU 53 -13.601 -9.964 9.528 482 1HD2 LEU 53 1HD2 LEU 53 -12.391 -8.176 6.084 483 2HD2 LEU 53 2HD2 LEU 53 -11.845 -7.232 7.491 484 3HD2 LEU 53 3HD2 LEU 53 -11.441 -8.961 7.368 485 MD1 LEU 53 MD1 LEU 53 -13.455 -10.328 8.578 486 MD2 LEU 53 MD2 LEU 53 -11.892 -8.123 6.981 487 QB LEU 53 QB LEU 53 -15.138 -8.819 6.878 488 QD LEU 53 QD LEU 53 -12.674 -9.226 7.780 489 H GLY 54 H GLY 54 -17.270 -7.382 5.537 490 1HA GLY 54 1HA GLY 54 -17.005 -8.178 2.980 491 2HA GLY 54 2HA GLY 54 -18.312 -7.156 3.541 492 QA GLY 54 QA GLY 54 -17.659 -7.667 3.260 493 H LYS 55 H LYS 55 -16.877 -4.758 4.168 494 HA LYS 55 HA LYS 55 -16.733 -3.612 1.615 495 1HB LYS 55 1HB LYS 55 -16.284 -2.732 4.426 496 2HB LYS 55 2HB LYS 55 -15.565 -1.750 3.166 497 1HG LYS 55 1HG LYS 55 -18.323 -2.537 2.492 498 2HG LYS 55 2HG LYS 55 -18.249 -1.676 4.016 499 1HD LYS 55 2HD LYS 55 -16.507 -0.280 2.224 500 2HD LYS 55 1HD LYS 55 -18.024 0.281 2.898 501 1HE LYS 55 1HE LYS 55 -17.936 -1.545 0.460 502 2HE LYS 55 2HE LYS 55 -19.295 -0.602 1.037 503 QB LYS 55 QB LYS 55 -15.924 -2.241 3.796 504 QD LYS 55 QD LYS 55 -17.266 0.000 2.561 505 QG LYS 55 QG LYS 55 -18.286 -2.106 3.254 506 QE LYS 55 QE LYS 55 -18.615 -1.073 0.748 507 QZ LYS 55 QZ LYS 55 -17.322 0.560 -0.299 508 H ILE 56 H ILE 56 -14.243 -4.794 3.932 509 HA ILE 56 HA ILE 56 -12.026 -3.829 2.575 510 HB ILE 56 HB ILE 56 -12.497 -6.148 4.425 511 1HG1 ILE 56 1HG1 ILE 56 -11.203 -3.426 4.694 512 2HG1 ILE 56 2HG1 ILE 56 -12.665 -4.000 5.471 513 1HG2 ILE 56 1HG2 ILE 56 -10.252 -5.807 2.640 514 2HG2 ILE 56 2HG2 ILE 56 -9.734 -5.667 4.337 515 3HG2 ILE 56 3HG2 ILE 56 -10.606 -7.119 3.790 516 1HD1 ILE 56 1HD1 ILE 56 -10.879 -5.933 6.278 517 2HD1 ILE 56 2HD1 ILE 56 -9.822 -4.504 6.179 518 3HD1 ILE 56 3HD1 ILE 56 -11.266 -4.473 7.220 519 MG ILE 56 MG ILE 56 -10.197 -6.198 3.589 520 MD ILE 56 MD ILE 56 -10.656 -4.970 6.559 521 QG ILE 56 QG ILE 56 -11.934 -3.713 5.083 522 H TRP 57 H TRP 57 -13.550 -7.127 2.393 523 HA TRP 57 HA TRP 57 -11.941 -8.074 0.354 524 1HB TRP 57 1HB TRP 57 -13.554 -9.334 1.846 525 2HB TRP 57 2HB TRP 57 -14.839 -8.799 0.782 526 HD1 TRP 57 HD1 TRP 57 -14.886 -9.908 -1.722 527 HE1 TRP 57 HE1 TRP 57 -13.866 -12.096 -2.786 528 HE3 TRP 57 HE3 TRP 57 -11.520 -10.773 1.990 529 HZ2 TRP 57 HZ2 TRP 57 -11.812 -13.904 -1.974 530 HZ3 TRP 57 HZ3 TRP 57 -10.045 -12.771 1.777 531 HH2 TRP 57 HH2 TRP 57 -10.152 -14.309 -0.119 532 QB TRP 57 QB TRP 57 -14.196 -9.066 1.314 533 H ASP 58 H ASP 58 -15.212 -6.484 0.217 534 HA ASP 58 HA ASP 58 -15.675 -6.517 -2.390 535 1HB ASP 58 1HB ASP 58 -16.972 -5.350 -0.479 536 2HB ASP 58 2HB ASP 58 -15.944 -3.958 -0.755 537 HD2 ASP 58 HD2 ASP 58 -15.968 -3.391 -3.190 538 QB ASP 58 QB ASP 58 -16.458 -4.654 -0.617 539 H LEU 59 H LEU 59 -13.629 -4.094 -0.603 540 HA LEU 59 HA LEU 59 -12.845 -2.768 -3.004 541 1HB LEU 59 1HB LEU 59 -12.960 -1.407 -1.132 542 2HB LEU 59 2HB LEU 59 -12.154 -2.570 -0.097 543 HG LEU 59 HG LEU 59 -10.887 -0.440 -0.783 544 1HD1 LEU 59 1HD1 LEU 59 -10.057 -2.984 -0.061 545 2HD1 LEU 59 2HD1 LEU 59 -9.039 -2.589 -1.466 546 3HD1 LEU 59 3HD1 LEU 59 -9.070 -1.504 -0.056 547 1HD2 LEU 59 1HD2 LEU 59 -11.462 -1.393 -3.358 548 2HD2 LEU 59 2HD2 LEU 59 -10.407 -0.031 -2.910 549 3HD2 LEU 59 3HD2 LEU 59 -9.716 -1.657 -3.128 550 MD1 LEU 59 MD1 LEU 59 -9.389 -2.359 -0.528 551 MD2 LEU 59 MD2 LEU 59 -10.528 -1.027 -3.132 552 QB LEU 59 QB LEU 59 -12.557 -1.989 -0.615 553 QD LEU 59 QD LEU 59 -9.958 -1.693 -1.830 554 H ALA 60 H ALA 60 -11.739 -5.526 -1.102 555 HA ALA 60 HA ALA 60 -9.071 -5.546 -1.954 556 1HB ALA 60 1HB ALA 60 -10.307 -6.860 -0.073 557 2HB ALA 60 2HB ALA 60 -10.703 -8.023 -1.361 558 3HB ALA 60 3HB ALA 60 -9.002 -7.679 -0.965 559 MB ALA 60 MB ALA 60 -10.004 -7.521 -0.800 560 H ASP 61 H ASP 61 -11.941 -7.440 -3.153 561 HA ASP 61 HA ASP 61 -10.893 -8.783 -5.140 562 1HB ASP 61 1HB ASP 61 -13.346 -8.576 -4.568 563 2HB ASP 61 2HB ASP 61 -13.393 -7.051 -5.431 564 HD2 ASP 61 HD2 ASP 61 -11.963 -10.051 -7.237 565 QB ASP 61 QB ASP 61 -13.370 -7.814 -5.000 566 H THR 62 H THR 62 -9.739 -8.335 -7.040 567 HA THR 62 HA THR 62 -10.163 -5.833 -8.421 568 HB THR 62 HB THR 62 -7.587 -6.528 -6.935 569 HG1 THR 62 HG1 THR 62 -9.446 -4.279 -7.250 570 1HG2 THR 62 1HG2 THR 62 -7.689 -5.444 -9.548 571 2HG2 THR 62 2HG2 THR 62 -7.598 -4.024 -8.479 572 3HG2 THR 62 3HG2 THR 62 -6.341 -5.281 -8.397 573 MG THR 62 MG THR 62 -7.209 -4.916 -8.808 574 H ASP 63 H ASP 63 -8.256 -8.877 -8.093 575 HA ASP 63 HA ASP 63 -7.309 -8.983 -10.633 576 1HB ASP 63 1HB ASP 63 -6.690 -10.592 -8.875 577 2HB ASP 63 2HB ASP 63 -8.322 -11.229 -8.830 578 HD2 ASP 63 HD2 ASP 63 -5.575 -12.853 -10.633 579 QB ASP 63 QB ASP 63 -7.506 -10.910 -8.852 580 H GLY 64 H GLY 64 -10.413 -10.323 -9.272 581 1HA GLY 64 1HA GLY 64 -12.465 -10.180 -10.401 582 2HA GLY 64 2HA GLY 64 -11.627 -10.093 -11.938 583 QA GLY 64 QA GLY 64 -12.046 -10.137 -11.169 584 H LYS 65 H LYS 65 -11.944 -12.327 -9.082 585 HA LYS 65 HA LYS 65 -12.923 -14.443 -10.596 586 1HB LYS 65 1HB LYS 65 -10.747 -14.509 -11.675 587 2HB LYS 65 2HB LYS 65 -9.931 -14.560 -10.126 588 1HG LYS 65 1HG LYS 65 -11.396 -16.706 -9.682 589 2HG LYS 65 2HG LYS 65 -11.652 -16.703 -11.415 590 1HD LYS 65 1HD LYS 65 -8.843 -16.506 -10.272 591 2HD LYS 65 2HD LYS 65 -9.629 -18.064 -10.436 592 1HE LYS 65 2HE LYS 65 -10.116 -16.936 -12.927 593 2HE LYS 65 1HE LYS 65 -8.822 -18.064 -12.571 594 QB LYS 65 QB LYS 65 -10.339 -14.535 -10.900 595 QD LYS 65 QD LYS 65 -9.236 -17.285 -10.354 596 QG LYS 65 QG LYS 65 -11.524 -16.705 -10.549 597 QE LYS 65 QE LYS 65 -9.469 -17.500 -12.749 598 QZ LYS 65 QZ LYS 65 -8.314 -15.487 -12.860 599 H GLY 66 H GLY 66 -10.515 -13.908 -7.921 600 1HA GLY 66 1HA GLY 66 -12.096 -14.088 -5.760 601 2HA GLY 66 2HA GLY 66 -11.953 -15.770 -6.229 602 QA GLY 66 QA GLY 66 -12.024 -14.929 -5.994 603 H VAL 67 H VAL 67 -9.514 -16.400 -6.878 604 HA VAL 67 HA VAL 67 -8.020 -16.514 -4.660 605 HB VAL 67 HB VAL 67 -6.953 -16.216 -7.474 606 1HG1 VAL 67 1HG1 VAL 67 -5.411 -16.267 -5.322 607 2HG1 VAL 67 2HG1 VAL 67 -5.744 -18.014 -5.403 608 3HG1 VAL 67 3HG1 VAL 67 -4.984 -17.187 -6.784 609 1HG2 VAL 67 1HG2 VAL 67 -8.643 -18.257 -6.251 610 2HG2 VAL 67 2HG2 VAL 67 -8.190 -18.018 -7.956 611 3HG2 VAL 67 3HG2 VAL 67 -7.115 -18.929 -6.868 612 MG1 VAL 67 MG1 VAL 67 -5.380 -17.156 -5.836 613 MG2 VAL 67 MG2 VAL 67 -7.983 -18.402 -7.025 614 QG VAL 67 QG VAL 67 -6.681 -17.779 -6.431 615 H LEU 68 H LEU 68 -6.282 -15.349 -3.693 616 HA LEU 68 HA LEU 68 -6.381 -12.499 -4.344 617 1HB LEU 68 1HB LEU 68 -5.303 -13.823 -1.857 618 2HB LEU 68 2HB LEU 68 -5.595 -12.114 -2.114 619 HG LEU 68 HG LEU 68 -7.778 -14.215 -2.097 620 1HD1 LEU 68 1HD1 LEU 68 -6.583 -14.051 0.085 621 2HD1 LEU 68 2HD1 LEU 68 -7.027 -12.328 0.150 622 3HD1 LEU 68 3HD1 LEU 68 -8.297 -13.575 0.156 623 1HD2 LEU 68 1HD2 LEU 68 -7.706 -11.304 -2.591 624 2HD2 LEU 68 2HD2 LEU 68 -8.877 -12.539 -3.115 625 3HD2 LEU 68 3HD2 LEU 68 -8.975 -11.860 -1.473 626 MD1 LEU 68 MD1 LEU 68 -7.302 -13.318 0.130 627 MD2 LEU 68 MD2 LEU 68 -8.519 -11.901 -2.393 628 QB LEU 68 QB LEU 68 -5.449 -12.968 -1.985 629 QD LEU 68 QD LEU 68 -7.911 -12.609 -1.131 630 H SER 69 H SER 69 -4.182 -11.334 -3.899 631 HA SER 69 HA SER 69 -2.071 -13.029 -4.982 632 1HB SER 69 1HB SER 69 -2.456 -10.084 -5.660 633 2HB SER 69 2HB SER 69 -1.308 -11.192 -6.384 634 HG SER 69 HG SER 69 -4.190 -11.244 -6.624 635 QB SER 69 QB SER 69 -1.882 -10.638 -6.022 636 H LYS 70 H LYS 70 0.098 -11.327 -4.837 637 HA LYS 70 HA LYS 70 0.764 -11.382 -2.158 638 1HB LYS 70 1HB LYS 70 1.915 -10.089 -4.607 639 2HB LYS 70 2HB LYS 70 2.572 -9.666 -3.039 640 1HG LYS 70 1HG LYS 70 3.225 -11.920 -2.566 641 2HG LYS 70 2HG LYS 70 2.181 -12.579 -3.810 642 1HD LYS 70 1HD LYS 70 4.555 -10.761 -4.423 643 2HD LYS 70 2HD LYS 70 4.675 -12.509 -4.388 644 1HE LYS 70 1HE LYS 70 2.385 -11.667 -6.013 645 2HE LYS 70 2HE LYS 70 3.855 -10.898 -6.576 646 QB LYS 70 QB LYS 70 2.244 -9.877 -3.823 647 QD LYS 70 QD LYS 70 4.615 -11.635 -4.405 648 QG LYS 70 QG LYS 70 2.703 -12.249 -3.188 649 QE LYS 70 QE LYS 70 3.120 -11.283 -6.294 650 QZ LYS 70 QZ LYS 70 4.345 -13.378 -6.508 651 H GLN 71 H GLN 71 0.897 -8.215 -3.828 652 HA GLN 71 HA GLN 71 0.473 -6.707 -1.676 653 1HB GLN 71 1HB GLN 71 0.531 -6.315 -4.472 654 2HB GLN 71 2HB GLN 71 -0.971 -5.572 -3.960 655 1HG GLN 71 1HG GLN 71 1.146 -4.901 -2.069 656 2HG GLN 71 2HG GLN 71 1.667 -4.515 -3.697 657 2HE2 GLN 71 1HE2 GLN 71 0.772 -2.915 -1.302 658 1HE2 GLN 71 2HE2 GLN 71 -0.424 -1.813 -1.896 659 QB GLN 71 QB GLN 71 -0.220 -5.943 -4.216 660 QG GLN 71 QG GLN 71 1.406 -4.708 -2.883 661 QE GLN 71 QE GLN 71 0.174 -2.364 -1.599 662 H GLU 72 H GLU 72 -2.118 -7.996 -3.867 663 HA GLU 72 HA GLU 72 -4.288 -6.866 -2.873 664 1HB GLU 72 1HB GLU 72 -3.665 -9.467 -4.095 665 2HB GLU 72 2HB GLU 72 -5.082 -9.554 -3.067 666 1HG GLU 72 1HG GLU 72 -5.170 -7.105 -4.647 667 2HG GLU 72 2HG GLU 72 -4.912 -8.477 -5.706 668 HE2 GLU 72 HE2 GLU 72 -8.320 -8.907 -5.598 669 QB GLU 72 QB GLU 72 -4.373 -9.511 -3.581 670 QG GLU 72 QG GLU 72 -5.041 -7.791 -5.176 671 H PHE 73 H PHE 73 -3.280 -10.123 -1.598 672 HA PHE 73 HA PHE 73 -4.859 -9.994 0.661 673 1HB PHE 73 1HB PHE 73 -3.906 -12.103 -0.002 674 2HB PHE 73 2HB PHE 73 -2.314 -11.408 -0.236 675 HD1 PHE 73 HD1 PHE 73 -0.977 -10.746 1.822 676 HD2 PHE 73 HD2 PHE 73 -4.480 -13.132 2.033 677 HE1 PHE 73 HE1 PHE 73 -0.289 -11.555 4.096 678 HE2 PHE 73 HE2 PHE 73 -3.792 -13.941 4.307 679 HZ PHE 73 HZ PHE 73 -1.705 -13.143 5.312 680 QB PHE 73 QB PHE 73 -3.110 -11.756 -0.119 681 QD PHE 73 QD PHE 73 -2.729 -11.939 1.927 682 QE PHE 73 QE PHE 73 -2.041 -12.748 4.202 683 QR PHE 73 QR PHE 73 -2.385 -12.343 3.065 684 H PHE 74 H PHE 74 -1.428 -8.985 0.147 685 HA PHE 74 HA PHE 74 -0.843 -8.447 2.805 686 1HB PHE 74 1HB PHE 74 0.115 -7.819 0.046 687 2HB PHE 74 2HB PHE 74 0.537 -6.569 1.200 688 HD1 PHE 74 HD1 PHE 74 0.874 -10.186 0.490 689 HD2 PHE 74 HD2 PHE 74 2.299 -6.883 2.740 690 HE1 PHE 74 HE1 PHE 74 2.832 -11.555 1.258 691 HE2 PHE 74 HE2 PHE 74 4.258 -8.252 3.509 692 HZ PHE 74 HZ PHE 74 4.501 -10.571 2.758 693 QB PHE 74 QB PHE 74 0.326 -7.194 0.623 694 QD PHE 74 QD PHE 74 1.587 -8.534 1.615 695 QE PHE 74 QE PHE 74 3.545 -9.903 2.383 696 QR PHE 74 QR PHE 74 2.566 -9.219 1.999 697 H VAL 75 H VAL 75 -3.010 -6.843 0.620 698 HA VAL 75 HA VAL 75 -2.777 -4.297 1.988 699 HB VAL 75 HB VAL 75 -3.926 -5.341 -0.508 700 1HG1 VAL 75 1HG1 VAL 75 -5.466 -3.438 1.233 701 2HG1 VAL 75 2HG1 VAL 75 -5.480 -3.217 -0.533 702 3HG1 VAL 75 3HG1 VAL 75 -6.051 -4.746 0.176 703 1HG2 VAL 75 1HG2 VAL 75 -2.455 -2.943 0.482 704 2HG2 VAL 75 2HG2 VAL 75 -2.171 -3.953 -0.955 705 3HG2 VAL 75 3HG2 VAL 75 -3.472 -2.739 -0.965 706 MG1 VAL 75 MG1 VAL 75 -5.666 -3.800 0.292 707 MG2 VAL 75 MG2 VAL 75 -2.700 -3.212 -0.479 708 QG VAL 75 QG VAL 75 -4.183 -3.506 -0.094 709 H ALA 76 H ALA 76 -5.297 -6.844 1.375 710 HA ALA 76 HA ALA 76 -7.303 -5.833 2.901 711 1HB ALA 76 1HB ALA 76 -6.897 -8.099 1.488 712 2HB ALA 76 2HB ALA 76 -6.766 -8.762 3.135 713 3HB ALA 76 3HB ALA 76 -8.244 -7.906 2.635 714 MB ALA 76 MB ALA 76 -7.303 -8.256 2.419 715 H LEU 77 H LEU 77 -4.207 -7.205 3.937 716 HA LEU 77 HA LEU 77 -4.903 -7.822 6.568 717 1HB LEU 77 1HB LEU 77 -2.524 -7.619 4.936 718 2HB LEU 77 2HB LEU 77 -2.228 -6.987 6.543 719 HG LEU 77 HG LEU 77 -3.373 -9.732 5.960 720 1HD1 LEU 77 1HD1 LEU 77 -0.911 -9.159 5.273 721 2HD1 LEU 77 2HD1 LEU 77 -0.606 -9.283 7.022 722 3HD1 LEU 77 3HD1 LEU 77 -1.281 -10.672 6.135 723 1HD2 LEU 77 1HD2 LEU 77 -4.039 -8.764 8.139 724 2HD2 LEU 77 2HD2 LEU 77 -3.009 -10.207 8.299 725 3HD2 LEU 77 3HD2 LEU 77 -2.318 -8.587 8.559 726 MD1 LEU 77 MD1 LEU 77 -0.933 -9.705 6.143 727 MD2 LEU 77 MD2 LEU 77 -3.122 -9.186 8.332 728 QB LEU 77 QB LEU 77 -2.376 -7.303 5.740 729 QD LEU 77 QD LEU 77 -2.027 -9.445 7.238 730 H ARG 78 H ARG 78 -2.788 -5.027 5.662 731 HA ARG 78 HA ARG 78 -3.176 -3.661 7.947 732 1HB ARG 78 1HB ARG 78 -2.416 -2.923 5.138 733 2HB ARG 78 2HB ARG 78 -2.867 -1.586 6.177 734 1HG ARG 78 2HG ARG 78 -1.190 -2.300 7.867 735 2HG ARG 78 1HG ARG 78 -0.435 -1.992 6.316 736 1HD ARG 78 1HD ARG 78 -0.995 -4.651 6.012 737 2HD ARG 78 2HD ARG 78 0.520 -4.057 6.661 738 HE ARG 78 HE ARG 78 -1.671 -5.311 8.183 739 1HH1 ARG 78 1HH1 ARG 78 1.321 -3.422 8.355 740 2HH1 ARG 78 2HH1 ARG 78 1.631 -3.832 10.009 741 2HH2 ARG 78 HH2 ARG 78 0.099 -5.262 11.171 742 QB ARG 78 QB ARG 78 -2.642 -2.254 5.658 743 QG ARG 78 QG ARG 78 -0.813 -2.146 7.091 744 QD ARG 78 QD ARG 78 -0.237 -4.354 6.337 745 QH1 ARG 78 QH1 ARG 78 1.476 -3.627 9.182 746 H LEU 79 H LEU 79 -5.214 -3.728 4.990 747 HA LEU 79 HA LEU 79 -6.811 -1.566 5.359 748 1HB LEU 79 1HB LEU 79 -6.738 -3.661 3.662 749 2HB LEU 79 2HB LEU 79 -8.165 -4.084 4.587 750 HG LEU 79 HG LEU 79 -7.749 -1.450 3.146 751 1HD1 LEU 79 1HD1 LEU 79 -8.725 -4.061 2.233 752 2HD1 LEU 79 2HD1 LEU 79 -9.847 -2.718 1.909 753 3HD1 LEU 79 3HD1 LEU 79 -8.174 -2.646 1.305 754 1HD2 LEU 79 1HD2 LEU 79 -9.640 -2.277 5.164 755 2HD2 LEU 79 2HD2 LEU 79 -9.415 -0.687 4.397 756 3HD2 LEU 79 3HD2 LEU 79 -10.477 -1.897 3.640 757 MD1 LEU 79 MD1 LEU 79 -8.916 -3.142 1.816 758 MD2 LEU 79 MD2 LEU 79 -9.844 -1.620 4.400 759 QB LEU 79 QB LEU 79 -7.451 -3.872 4.125 760 QD LEU 79 QD LEU 79 -9.380 -2.381 3.108 761 H VAL 80 H VAL 80 -7.135 -4.820 6.913 762 HA VAL 80 HA VAL 80 -9.454 -4.195 8.339 763 HB VAL 80 HB VAL 80 -7.225 -6.158 8.909 764 1HG1 VAL 80 1HG1 VAL 80 -8.824 -5.535 10.838 765 2HG1 VAL 80 2HG1 VAL 80 -10.069 -6.391 9.898 766 3HG1 VAL 80 3HG1 VAL 80 -8.615 -7.259 10.446 767 1HG2 VAL 80 1HG2 VAL 80 -8.684 -6.171 6.687 768 2HG2 VAL 80 2HG2 VAL 80 -8.263 -7.677 7.538 769 3HG2 VAL 80 3HG2 VAL 80 -9.872 -6.950 7.760 770 MG1 VAL 80 MG1 VAL 80 -9.169 -6.395 10.394 771 MG2 VAL 80 MG2 VAL 80 -8.940 -6.932 7.329 772 QG VAL 80 QG VAL 80 -9.055 -6.664 8.861 773 H ALA 81 H ALA 81 -5.953 -3.772 9.053 774 HA ALA 81 HA ALA 81 -6.295 -2.997 11.726 775 1HB ALA 81 2HB ALA 81 -4.006 -1.713 10.761 776 2HB ALA 81 3HB ALA 81 -4.083 -3.344 11.469 777 3HB ALA 81 1HB ALA 81 -4.182 -3.134 9.704 778 MB ALA 81 MB ALA 81 -4.090 -2.730 10.645 779 H CYS 82 H CYS 82 -7.037 -1.439 8.703 780 HA CYS 82 HA CYS 82 -6.698 1.221 9.579 781 1HB CYS 82 1HB CYS 82 -7.265 -0.043 7.154 782 2HB CYS 82 2HB CYS 82 -8.724 0.862 7.504 783 HG CYS 82 HG CYS 82 -6.862 2.803 8.227 784 QB CYS 82 QB CYS 82 -7.995 0.410 7.329 785 H ALA 83 H ALA 83 -9.752 -0.600 8.776 786 HA ALA 83 HA ALA 83 -11.436 1.119 10.148 787 1HB ALA 83 2HB ALA 83 -12.867 -1.130 10.171 788 2HB ALA 83 3HB ALA 83 -12.530 -0.265 8.653 789 3HB ALA 83 1HB ALA 83 -11.563 -1.692 9.098 790 MB ALA 83 MB ALA 83 -12.320 -1.029 9.307 791 H GLN 84 H GLN 84 -9.208 -1.329 11.294 792 HA GLN 84 HA GLN 84 -10.438 -2.114 13.601 793 1HB GLN 84 1HB GLN 84 -7.573 -1.831 12.720 794 2HB GLN 84 2HB GLN 84 -7.879 -2.178 14.410 795 1HG GLN 84 1HG GLN 84 -9.545 -3.857 12.667 796 2HG GLN 84 2HG GLN 84 -7.845 -4.038 12.279 797 2HE2 GLN 84 1HE2 GLN 84 -8.816 -6.221 13.149 798 1HE2 GLN 84 2HE2 GLN 84 -8.463 -6.573 14.808 799 QB GLN 84 QB GLN 84 -7.726 -2.004 13.565 800 QG GLN 84 QG GLN 84 -8.695 -3.947 12.473 801 QE GLN 84 QE GLN 84 -8.639 -6.397 13.979 802 H ASN 85 H ASN 85 -8.917 0.969 12.757 803 HA ASN 85 HA ASN 85 -9.038 1.781 15.535 804 1HB ASN 85 1HB ASN 85 -6.955 2.305 14.267 805 2HB ASN 85 2HB ASN 85 -7.885 3.166 13.056 806 2HD2 ASN 85 1HD2 ASN 85 -6.126 3.408 15.872 807 1HD2 ASN 85 2HD2 ASN 85 -6.591 4.990 16.405 808 QB ASN 85 QB ASN 85 -7.420 2.736 13.662 809 QD ASN 85 QD ASN 85 -6.358 4.199 16.138 810 H GLY 86 H GLY 86 -10.732 1.900 12.500 811 1HA GLY 86 1HA GLY 86 -13.026 2.698 12.644 812 2HA GLY 86 2HA GLY 86 -12.430 4.113 13.489 813 QA GLY 86 QA GLY 86 -12.728 3.406 13.067 814 H LEU 87 H LEU 87 -10.204 3.077 11.072 815 HA LEU 87 HA LEU 87 -10.790 5.399 9.504 816 1HB LEU 87 1HB LEU 87 -8.731 3.205 9.263 817 2HB LEU 87 2HB LEU 87 -8.841 4.563 8.161 818 HG LEU 87 HG LEU 87 -8.278 4.715 11.136 819 1HD1 LEU 87 1HD1 LEU 87 -6.536 4.905 8.687 820 2HD1 LEU 87 2HD1 LEU 87 -6.074 5.687 10.218 821 3HD1 LEU 87 3HD1 LEU 87 -6.317 3.925 10.156 822 1HD2 LEU 87 1HD2 LEU 87 -8.821 6.840 9.086 823 2HD2 LEU 87 2HD2 LEU 87 -9.394 6.701 10.765 824 3HD2 LEU 87 3HD2 LEU 87 -7.707 7.162 10.435 825 MD1 LEU 87 MD1 LEU 87 -6.309 4.839 9.687 826 MD2 LEU 87 MD2 LEU 87 -8.641 6.901 10.095 827 QB LEU 87 QB LEU 87 -8.786 3.884 8.712 828 QD LEU 87 QD LEU 87 -7.475 5.870 9.891 829 H GLU 88 H GLU 88 -11.245 5.375 7.182 830 HA GLU 88 HA GLU 88 -13.431 3.992 6.521 831 1HB GLU 88 1HB GLU 88 -11.879 5.848 5.271 832 2HB GLU 88 2HB GLU 88 -11.504 4.455 4.276 833 1HG GLU 88 1HG GLU 88 -13.547 4.501 3.276 834 2HG GLU 88 2HG GLU 88 -14.380 4.583 4.815 835 HE2 GLU 88 HE2 GLU 88 -14.952 7.575 2.841 836 QB GLU 88 QB GLU 88 -11.691 5.151 4.774 837 QG GLU 88 QG GLU 88 -13.963 4.542 4.045 838 H VAL 89 H VAL 89 -13.661 2.309 4.629 839 HA VAL 89 HA VAL 89 -11.752 0.149 5.191 840 HB VAL 89 HB VAL 89 -14.565 -0.150 4.152 841 1HG1 VAL 89 1HG1 VAL 89 -12.443 -1.977 5.230 842 2HG1 VAL 89 2HG1 VAL 89 -14.155 -2.393 5.483 843 3HG1 VAL 89 3HG1 VAL 89 -13.525 -2.183 3.832 844 1HG2 VAL 89 1HG2 VAL 89 -13.622 0.370 6.940 845 2HG2 VAL 89 2HG2 VAL 89 -15.147 0.822 6.141 846 3HG2 VAL 89 3HG2 VAL 89 -14.900 -0.847 6.706 847 MG1 VAL 89 MG1 VAL 89 -13.374 -2.184 4.848 848 MG2 VAL 89 MG2 VAL 89 -14.556 0.115 6.596 849 QG VAL 89 QG VAL 89 -13.965 -1.035 5.722 850 H SER 90 H SER 90 -12.583 2.513 2.944 851 HA SER 90 HA SER 90 -12.089 0.794 0.675 852 1HB SER 90 1HB SER 90 -13.242 3.517 1.104 853 2HB SER 90 2HB SER 90 -12.344 3.306 -0.386 854 HG SER 90 HG SER 90 -14.298 2.590 -1.025 855 QB SER 90 QB SER 90 -12.793 3.411 0.359 856 H LEU 91 H LEU 91 -10.394 1.423 -0.942 857 HA LEU 91 HA LEU 91 -7.939 1.897 0.315 858 1HB LEU 91 1HB LEU 91 -8.954 1.379 -2.388 859 2HB LEU 91 2HB LEU 91 -7.503 2.360 -2.356 860 HG LEU 91 HG LEU 91 -7.753 -0.312 -0.952 861 1HD1 LEU 91 1HD1 LEU 91 -7.236 0.341 -3.778 862 2HD1 LEU 91 2HD1 LEU 91 -6.050 -0.758 -3.033 863 3HD1 LEU 91 3HD1 LEU 91 -7.780 -1.176 -3.022 864 1HD2 LEU 91 1HD2 LEU 91 -5.783 1.775 -0.868 865 2HD2 LEU 91 2HD2 LEU 91 -5.827 0.225 0.005 866 3HD2 LEU 91 3HD2 LEU 91 -5.076 0.317 -1.605 867 MD1 LEU 91 MD1 LEU 91 -7.022 -0.531 -3.277 868 MD2 LEU 91 MD2 LEU 91 -5.562 0.772 -0.823 869 QB LEU 91 QB LEU 91 -8.228 1.870 -2.372 870 QD LEU 91 QD LEU 91 -6.292 0.121 -2.050 871 H SER 92 H SER 92 -10.446 4.026 -0.853 872 HA SER 92 HA SER 92 -8.946 6.207 -1.570 873 1HB SER 92 1HB SER 92 -11.703 5.955 -0.311 874 2HB SER 92 2HB SER 92 -11.049 7.508 -0.792 875 HG SER 92 HG SER 92 -12.403 5.977 -2.359 876 QB SER 92 QB SER 92 -11.376 6.731 -0.551 877 H SER 93 H SER 93 -9.285 4.663 1.504 878 HA SER 93 HA SER 93 -8.198 7.053 2.775 879 1HB SER 93 1HB SER 93 -10.592 6.008 3.449 880 2HB SER 93 2HB SER 93 -9.586 4.954 4.423 881 HG SER 93 HG SER 93 -8.558 7.278 4.966 882 QB SER 93 QB SER 93 -10.089 5.481 3.936 883 H LEU 94 H LEU 94 -6.819 4.836 1.319 884 HA LEU 94 HA LEU 94 -5.438 3.576 3.583 885 1HB LEU 94 1HB LEU 94 -6.205 2.650 0.873 886 2HB LEU 94 2HB LEU 94 -4.630 2.145 1.452 887 HG LEU 94 HG LEU 94 -6.341 0.466 1.912 888 1HD1 LEU 94 1HD1 LEU 94 -4.742 1.757 4.019 889 2HD1 LEU 94 2HD1 LEU 94 -6.059 0.719 4.615 890 3HD1 LEU 94 3HD1 LEU 94 -4.829 0.053 3.514 891 1HD2 LEU 94 1HD2 LEU 94 -7.783 2.791 3.060 892 2HD2 LEU 94 2HD2 LEU 94 -8.400 1.346 2.223 893 3HD2 LEU 94 3HD2 LEU 94 -7.929 1.249 3.937 894 MD1 LEU 94 MD1 LEU 94 -5.210 0.843 4.049 895 MD2 LEU 94 MD2 LEU 94 -8.037 1.795 3.073 896 QB LEU 94 QB LEU 94 -5.418 2.397 1.163 897 QD LEU 94 QD LEU 94 -6.623 1.319 3.561 898 H SER 95 H SER 95 -3.035 2.901 2.508 899 HA SER 95 HA SER 95 -1.108 3.619 1.760 900 1HB SER 95 1HB SER 95 -0.904 5.261 0.122 901 2HB SER 95 2HB SER 95 -2.601 4.852 -0.038 902 HG SER 95 HG SER 95 -3.210 6.755 0.874 903 QB SER 95 QB SER 95 -1.753 5.056 0.042 904 H LEU 96 H LEU 96 -2.523 4.304 4.395 905 HA LEU 96 HA LEU 96 -0.853 6.600 5.145 906 1HB LEU 96 1HB LEU 96 -3.048 5.722 6.920 907 2HB LEU 96 2HB LEU 96 -2.461 7.332 6.550 908 HG LEU 96 HG LEU 96 -3.963 5.787 4.456 909 1HD1 LEU 96 1HD1 LEU 96 -5.220 7.299 6.761 910 2HD1 LEU 96 2HD1 LEU 96 -6.078 6.771 5.293 911 3HD1 LEU 96 3HD1 LEU 96 -5.378 5.564 6.397 912 1HD2 LEU 96 1HD2 LEU 96 -2.928 8.462 4.776 913 2HD2 LEU 96 2HD2 LEU 96 -3.621 7.673 3.339 914 3HD2 LEU 96 3HD2 LEU 96 -4.686 8.501 4.500 915 MD1 LEU 96 MD1 LEU 96 -5.559 6.545 6.150 916 MD2 LEU 96 MD2 LEU 96 -3.745 8.212 4.205 917 QB LEU 96 QB LEU 96 -2.754 6.527 6.735 918 QD LEU 96 QD LEU 96 -4.652 7.378 5.178 919 H ALA 97 H ALA 97 -0.979 6.152 7.965 920 HA ALA 97 HA ALA 97 0.784 3.818 8.102 921 1HB ALA 97 1HB ALA 97 1.415 6.281 8.780 922 2HB ALA 97 3HB ALA 97 1.912 4.925 9.820 923 3HB ALA 97 2HB ALA 97 0.494 5.909 10.257 924 MB ALA 97 MB ALA 97 1.274 5.705 9.619 925 H VAL 98 H VAL 98 -1.503 2.681 7.916 926 HA VAL 98 HA VAL 98 -3.367 2.746 9.895 927 HB VAL 98 HB VAL 98 -4.037 0.626 9.150 928 1HG1 VAL 98 1HG1 VAL 98 -3.545 2.641 7.383 929 2HG1 VAL 98 2HG1 VAL 98 -2.659 1.300 6.618 930 3HG1 VAL 98 3HG1 VAL 98 -4.395 1.131 6.976 931 1HG2 VAL 98 1HG2 VAL 98 -1.193 0.081 9.052 932 2HG2 VAL 98 2HG2 VAL 98 -2.565 -1.052 9.099 933 3HG2 VAL 98 3HG2 VAL 98 -1.983 -0.425 7.539 934 MG1 VAL 98 MG1 VAL 98 -3.533 1.691 6.993 935 MG2 VAL 98 MG2 VAL 98 -1.914 -0.465 8.563 936 QG VAL 98 QG VAL 98 -2.723 0.613 7.778 937 HA PRO 99 HA PRO 99 -1.396 1.261 13.445 938 1HB PRO 99 1HB PRO 99 -3.548 0.470 14.932 939 2HB PRO 99 2HB PRO 99 -3.033 2.140 14.805 940 1HG PRO 99 1HG PRO 99 -5.342 0.810 13.524 941 2HG PRO 99 2HG PRO 99 -5.052 2.523 13.758 942 1HD PRO 99 1HD PRO 99 -4.749 1.048 11.316 943 2HD PRO 99 2HD PRO 99 -4.349 2.733 11.579 944 QB PRO 99 QB PRO 99 -3.291 1.305 14.868 945 QG PRO 99 QG PRO 99 -5.197 1.666 13.641 946 QD PRO 99 QD PRO 99 -4.549 1.890 11.448 947 HA PRO 100 HA PRO 100 -0.901 -2.959 13.500 948 1HB PRO 100 1HB PRO 100 -0.626 -3.676 16.123 949 2HB PRO 100 2HB PRO 100 0.665 -2.946 15.189 950 1HG PRO 100 1HG PRO 100 -1.037 -1.720 17.271 951 2HG PRO 100 2HG PRO 100 0.500 -1.162 16.641 952 1HD PRO 100 1HD PRO 100 -2.095 -0.116 16.010 953 2HD PRO 100 2HD PRO 100 -0.570 0.363 15.294 954 QB PRO 100 QB PRO 100 0.020 -3.311 15.656 955 QG PRO 100 QG PRO 100 -0.269 -1.441 16.956 956 QD PRO 100 QD PRO 100 -1.332 0.124 15.652 957 HA PRO 101 HA PRO 101 -4.796 -4.689 13.831 958 1HB PRO 101 1HB PRO 101 -4.339 -6.987 12.425 959 2HB PRO 101 2HB PRO 101 -4.758 -5.465 11.664 960 1HG PRO 101 2HG PRO 101 -2.663 -5.543 10.705 961 2HG PRO 101 1HG PRO 101 -2.129 -6.811 11.791 962 1HD PRO 101 1HD PRO 101 -0.950 -5.241 12.985 963 2HD PRO 101 2HD PRO 101 -1.576 -3.959 11.968 964 QB PRO 101 QB PRO 101 -4.549 -6.226 12.044 965 QG PRO 101 QG PRO 101 -2.396 -6.177 11.248 966 QD PRO 101 QD PRO 101 -1.263 -4.600 12.477 967 H ARG 102 H ARG 102 -5.386 -7.415 13.984 968 HA ARG 102 HA ARG 102 -4.395 -7.801 16.672 969 1HB ARG 102 1HB ARG 102 -6.948 -7.955 15.683 970 2HB ARG 102 2HB ARG 102 -6.478 -9.635 15.526 971 1HG ARG 102 1HG ARG 102 -6.489 -9.984 17.790 972 2HG ARG 102 2HG ARG 102 -5.688 -8.462 18.127 973 1HD ARG 102 1HD ARG 102 -7.679 -7.302 18.372 974 2HD ARG 102 2HD ARG 102 -8.502 -8.230 17.134 975 HE ARG 102 HE ARG 102 -8.463 -8.808 19.977 976 1HH1 ARG 102 1HH1 ARG 102 -8.644 -10.360 16.796 977 2HH1 ARG 102 2HH1 ARG 102 -9.466 -11.764 17.390 978 2HH2 ARG 102 HH2 ARG 102 -9.988 -11.919 19.724 979 QB ARG 102 QB ARG 102 -6.713 -8.795 15.605 980 QG ARG 102 QG ARG 102 -6.088 -9.223 17.959 981 QD ARG 102 QD ARG 102 -8.091 -7.766 17.753 982 QH1 ARG 102 QH1 ARG 102 -9.055 -11.062 17.093 983 H PHE 103 H PHE 103 -4.390 -9.164 13.392 984 HA PHE 103 HA PHE 103 -3.803 -11.754 13.704 985 1HB PHE 103 1HB PHE 103 -2.126 -9.833 11.997 986 2HB PHE 103 2HB PHE 103 -2.572 -11.477 11.587 987 HD1 PHE 103 HD1 PHE 103 -5.218 -11.874 11.501 988 HD2 PHE 103 HD2 PHE 103 -3.295 -8.126 10.984 989 HE1 PHE 103 HE1 PHE 103 -7.220 -11.019 10.253 990 HE2 PHE 103 HE2 PHE 103 -5.298 -7.272 9.735 991 HZ PHE 103 HZ PHE 103 -7.236 -8.728 9.384 992 QB PHE 103 QB PHE 103 -2.349 -10.655 11.792 993 QD PHE 103 QD PHE 103 -4.256 -10.000 11.242 994 QE PHE 103 QE PHE 103 -6.259 -9.145 9.994 995 QR PHE 103 QR PHE 103 -5.258 -9.573 10.618 996 H HIS 104 H HIS 104 -1.592 -12.897 13.453 997 HA HIS 104 HA HIS 104 -0.084 -12.303 15.740 998 1HB HIS 104 1HB HIS 104 -0.488 -14.525 14.358 999 2HB HIS 104 2HB HIS 104 0.977 -14.032 13.533 1000 HD1 HIS 104 HD1 HIS 104 1.892 -16.338 14.689 1001 HD2 HIS 104 HD2 HIS 104 1.169 -13.092 17.246 1002 HE1 HIS 104 HE1 HIS 104 3.138 -16.845 16.858 1003 QB HIS 104 QB HIS 104 0.244 -14.279 13.946 1004 H ASP 105 H ASP 105 2.485 -12.205 15.496 1005 HA ASP 105 HA ASP 105 4.197 -10.961 15.030 1006 1HB ASP 105 1HB ASP 105 4.491 -11.825 12.884 1007 2HB ASP 105 2HB ASP 105 2.912 -11.298 12.338 1008 HD2 ASP 105 HD2 ASP 105 3.957 -8.692 10.735 1009 QB ASP 105 QB ASP 105 3.702 -11.561 12.611 No H/Q in entry = 1009 Start of MODEL 13 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.534 0.982 -1.350 3 1HB LEU 7 2HB LEU 7 3.760 -0.978 -2.127 4 2HB LEU 7 1HB LEU 7 2.764 -2.022 -1.133 5 HG LEU 7 HG LEU 7 3.786 -1.380 0.838 6 1HD1 LEU 7 1HD1 LEU 7 5.872 -1.214 -1.345 7 2HD1 LEU 7 2HD1 LEU 7 6.271 -1.270 0.389 8 3HD1 LEU 7 3HD1 LEU 7 5.402 -2.626 -0.368 9 1HD2 LEU 7 1HD2 LEU 7 4.357 1.211 -0.561 10 2HD2 LEU 7 2HD2 LEU 7 3.562 0.907 1.002 11 3HD2 LEU 7 3HD2 LEU 7 5.327 0.733 0.852 12 MD1 LEU 7 MD1 LEU 7 5.848 -1.703 -0.441 13 MD2 LEU 7 MD2 LEU 7 4.415 0.950 0.431 14 QB LEU 7 QB LEU 7 3.262 -1.500 -1.630 15 QD LEU 7 QD LEU 7 5.132 -0.377 -0.005 16 H SER 8 H SER 8 2.453 -1.451 -3.359 17 HA SER 8 HA SER 8 0.866 -0.432 -5.198 18 1HB SER 8 2HB SER 8 0.746 -2.641 -6.228 19 2HB SER 8 1HB SER 8 0.983 -3.433 -4.682 20 HG SER 8 HG SER 8 2.942 -1.616 -5.780 21 QB SER 8 QB SER 8 0.865 -3.037 -5.455 22 H LEU 9 H LEU 9 -1.346 -1.000 -6.044 23 HA LEU 9 HA LEU 9 -3.333 -0.514 -4.284 24 1HB LEU 9 1HB LEU 9 -3.814 -2.342 -6.608 25 2HB LEU 9 2HB LEU 9 -4.828 -1.062 -5.972 26 HG LEU 9 HG LEU 9 -2.353 -0.819 -7.680 27 1HD1 LEU 9 1HD1 LEU 9 -5.034 -0.963 -8.313 28 2HD1 LEU 9 2HD1 LEU 9 -4.710 0.787 -8.327 29 3HD1 LEU 9 3HD1 LEU 9 -3.743 -0.305 -9.347 30 1HD2 LEU 9 1HD2 LEU 9 -2.630 0.817 -5.571 31 2HD2 LEU 9 2HD2 LEU 9 -1.965 1.343 -7.136 32 3HD2 LEU 9 3HD2 LEU 9 -3.669 1.671 -6.737 33 MD1 LEU 9 MD1 LEU 9 -4.496 -0.160 -8.662 34 MD2 LEU 9 MD2 LEU 9 -2.755 1.277 -6.481 35 QB LEU 9 QB LEU 9 -4.321 -1.702 -6.290 36 QD LEU 9 QD LEU 9 -3.625 0.558 -7.572 37 H THR 10 H THR 10 -1.912 -3.705 -5.144 38 HA THR 10 HA THR 10 -3.756 -5.301 -3.806 39 HB THR 10 HB THR 10 -2.187 -6.308 -5.324 40 HG1 THR 10 HG1 THR 10 -1.115 -6.723 -2.629 41 1HG2 THR 10 1HG2 THR 10 -0.074 -4.923 -3.605 42 2HG2 THR 10 2HG2 THR 10 0.320 -6.290 -4.674 43 3HG2 THR 10 3HG2 THR 10 -0.312 -4.775 -5.363 44 MG THR 10 MG THR 10 -0.022 -5.329 -4.548 45 H GLN 11 H GLN 11 -0.885 -3.520 -2.588 46 HA GLN 11 HA GLN 11 -1.160 -4.682 -0.016 47 1HB GLN 11 1HB GLN 11 0.645 -2.747 -1.366 48 2HB GLN 11 2HB GLN 11 0.417 -2.440 0.344 49 1HG GLN 11 1HG GLN 11 0.777 -5.153 0.413 50 2HG GLN 11 2HG GLN 11 1.723 -4.770 -1.011 51 2HE2 GLN 11 1HE2 GLN 11 1.266 -4.153 2.411 52 1HE2 GLN 11 2HE2 GLN 11 2.851 -3.549 2.763 53 QB GLN 11 QB GLN 11 0.531 -2.593 -0.511 54 QG GLN 11 QG GLN 11 1.250 -4.962 -0.299 55 QE GLN 11 QE GLN 11 2.058 -3.851 2.587 56 H LEU 12 H LEU 12 -2.179 -1.662 -1.658 57 HA LEU 12 HA LEU 12 -2.852 -0.062 0.403 58 1HB LEU 12 1HB LEU 12 -3.217 -0.016 -2.252 59 2HB LEU 12 2HB LEU 12 -4.866 -0.348 -1.760 60 HG LEU 12 HG LEU 12 -4.935 1.927 -1.817 61 1HD1 LEU 12 1HD1 LEU 12 -5.243 0.978 0.595 62 2HD1 LEU 12 2HD1 LEU 12 -3.746 1.878 0.937 63 3HD1 LEU 12 3HD1 LEU 12 -5.181 2.737 0.328 64 1HD2 LEU 12 1HD2 LEU 12 -2.024 1.932 -0.998 65 2HD2 LEU 12 2HD2 LEU 12 -2.729 2.384 -2.569 66 3HD2 LEU 12 3HD2 LEU 12 -3.010 3.407 -1.139 67 MD1 LEU 12 MD1 LEU 12 -4.723 1.864 0.620 68 MD2 LEU 12 MD2 LEU 12 -2.588 2.574 -1.569 69 QB LEU 12 QB LEU 12 -4.041 -0.182 -2.006 70 QD LEU 12 QD LEU 12 -3.655 2.219 -0.474 71 H SER 13 H SER 13 -4.721 -2.896 -0.830 72 HA SER 13 HA SER 13 -5.723 -3.398 1.728 73 1HB SER 13 1HB SER 13 -7.354 -1.676 -0.043 74 2HB SER 13 2HB SER 13 -8.221 -3.086 0.534 75 HG SER 13 HG SER 13 -8.148 -2.364 2.590 76 QB SER 13 QB SER 13 -7.787 -2.381 0.245 77 H SER 14 H SER 14 -4.358 -5.141 0.338 78 HA SER 14 HA SER 14 -4.307 -7.066 -0.665 79 1HB SER 14 1HB SER 14 -6.691 -7.084 0.936 80 2HB SER 14 2HB SER 14 -7.055 -7.955 -0.540 81 HG SER 14 HG SER 14 -6.047 -9.176 1.351 82 QB SER 14 QB SER 14 -6.873 -7.520 0.198 83 H GLY 15 H GLY 15 -5.254 -4.554 -2.161 84 1HA GLY 15 1HA GLY 15 -5.697 -4.074 -4.318 85 2HA GLY 15 2HA GLY 15 -5.677 -5.788 -4.684 86 QA GLY 15 QA GLY 15 -5.687 -4.931 -4.501 87 H ASN 16 H ASN 16 -7.768 -3.732 -2.526 88 HA ASN 16 HA ASN 16 -10.046 -5.197 -3.306 89 1HB ASN 16 1HB ASN 16 -9.675 -4.019 -1.055 90 2HB ASN 16 2HB ASN 16 -9.922 -2.491 -1.877 91 2HD2 ASN 16 1HD2 ASN 16 -11.411 -4.101 0.216 92 1HD2 ASN 16 2HD2 ASN 16 -13.059 -4.135 -0.316 93 QB ASN 16 QB ASN 16 -9.799 -3.255 -1.466 94 QD ASN 16 QD ASN 16 -12.235 -4.118 -0.050 95 HA PRO 17 HA PRO 17 -10.869 -2.609 -6.788 96 1HB PRO 17 1HB PRO 17 -13.191 -3.789 -7.616 97 2HB PRO 17 2HB PRO 17 -11.603 -4.390 -8.049 98 1HG PRO 17 1HG PRO 17 -13.524 -5.477 -6.083 99 2HG PRO 17 2HG PRO 17 -12.153 -6.271 -6.832 100 1HD PRO 17 1HD PRO 17 -12.288 -5.235 -4.161 101 2HD PRO 17 2HD PRO 17 -10.882 -5.923 -4.948 102 QB PRO 17 QB PRO 17 -12.397 -4.089 -7.833 103 QG PRO 17 QG PRO 17 -12.839 -5.874 -6.458 104 QD PRO 17 QD PRO 17 -11.585 -5.579 -4.554 105 H VAL 18 H VAL 18 -12.322 -2.535 -3.889 106 HA VAL 18 HA VAL 18 -14.670 -1.131 -4.417 107 HB VAL 18 HB VAL 18 -14.140 -2.196 -2.297 108 1HG1 VAL 18 1HG1 VAL 18 -11.655 -1.403 -2.447 109 2HG1 VAL 18 2HG1 VAL 18 -12.250 0.036 -1.585 110 3HG1 VAL 18 3HG1 VAL 18 -12.428 -1.577 -0.853 111 1HG2 VAL 18 1HG2 VAL 18 -15.721 -0.206 -2.479 112 2HG2 VAL 18 2HG2 VAL 18 -15.091 -0.570 -0.855 113 3HG2 VAL 18 3HG2 VAL 18 -14.406 0.778 -1.794 114 MG1 VAL 18 MG1 VAL 18 -12.111 -0.981 -1.629 115 MG2 VAL 18 MG2 VAL 18 -15.073 0.000 -1.709 116 QG VAL 18 QG VAL 18 -13.592 -0.490 -1.669 117 H TYR 19 H TYR 19 -11.273 -0.026 -3.854 118 HA TYR 19 HA TYR 19 -11.894 2.717 -3.972 119 1HB TYR 19 1HB TYR 19 -9.507 0.846 -4.257 120 2HB TYR 19 2HB TYR 19 -9.271 2.520 -4.720 121 HD1 TYR 19 HD1 TYR 19 -11.645 1.890 -2.034 122 HD2 TYR 19 HD2 TYR 19 -7.530 2.641 -2.929 123 HE1 TYR 19 HE1 TYR 19 -11.222 2.504 0.397 124 HE2 TYR 19 HE2 TYR 19 -7.120 3.253 -0.495 125 HH TYR 19 HH TYR 19 -7.988 3.533 1.458 126 QB TYR 19 QB TYR 19 -9.389 1.683 -4.489 127 QD TYR 19 QD TYR 19 -9.587 2.265 -2.481 128 QE TYR 19 QE TYR 19 -9.171 2.878 -0.049 129 QR TYR 19 QR TYR 19 -9.379 2.572 -1.265 130 H GLU 20 H GLU 20 -11.158 0.237 -6.441 131 HA GLU 20 HA GLU 20 -10.482 1.916 -8.499 132 1HB GLU 20 1HB GLU 20 -11.372 -0.868 -8.174 133 2HB GLU 20 2HB GLU 20 -11.911 -0.187 -9.696 134 1HG GLU 20 1HG GLU 20 -9.090 0.466 -9.008 135 2HG GLU 20 2HG GLU 20 -9.391 -1.245 -9.238 136 HE2 GLU 20 HE2 GLU 20 -8.372 1.202 -11.208 137 QB GLU 20 QB GLU 20 -11.642 -0.527 -8.935 138 QG GLU 20 QG GLU 20 -9.240 -0.390 -9.123 139 H LYS 21 H LYS 21 -13.671 1.043 -7.144 140 HA LYS 21 HA LYS 21 -15.260 1.933 -9.241 141 1HB LYS 21 1HB LYS 21 -16.932 1.343 -7.875 142 2HB LYS 21 2HB LYS 21 -15.673 0.750 -6.809 143 1HG LYS 21 1HG LYS 21 -15.601 3.007 -5.684 144 2HG LYS 21 2HG LYS 21 -16.914 3.541 -6.715 145 1HD LYS 21 1HD LYS 21 -18.024 1.242 -5.744 146 2HD LYS 21 2HD LYS 21 -16.967 1.634 -4.402 147 1HE LYS 21 1HE LYS 21 -18.855 2.853 -3.785 148 2HE LYS 21 2HE LYS 21 -17.996 4.081 -4.694 149 QB LYS 21 QB LYS 21 -16.302 1.046 -7.342 150 QD LYS 21 QD LYS 21 -17.496 1.438 -5.073 151 QG LYS 21 QG LYS 21 -16.258 3.274 -6.200 152 QE LYS 21 QE LYS 21 -18.426 3.467 -4.240 153 QZ LYS 21 QZ LYS 21 -19.675 3.535 -6.229 154 H TYR 22 H TYR 22 -13.792 3.678 -6.446 155 HA TYR 22 HA TYR 22 -15.021 6.152 -7.151 156 1HB TYR 22 1HB TYR 22 -12.593 5.314 -5.444 157 2HB TYR 22 2HB TYR 22 -13.291 6.921 -5.401 158 HD1 TYR 22 HD1 TYR 22 -15.470 7.323 -4.333 159 HD2 TYR 22 HD2 TYR 22 -13.710 3.424 -4.377 160 HE1 TYR 22 HE1 TYR 22 -17.082 6.567 -2.518 161 HE2 TYR 22 HE2 TYR 22 -15.327 2.681 -2.562 162 HH TYR 22 HH TYR 22 -17.839 4.885 -1.373 163 QB TYR 22 QB TYR 22 -12.942 6.118 -5.422 164 QD TYR 22 QD TYR 22 -14.590 5.374 -4.355 165 QE TYR 22 QE TYR 22 -16.204 4.624 -2.540 166 QR TYR 22 QR TYR 22 -15.397 4.999 -3.447 167 H TYR 23 H TYR 23 -11.668 4.786 -7.440 168 HA TYR 23 HA TYR 23 -10.430 6.957 -8.543 169 1HB TYR 23 1HB TYR 23 -9.149 4.989 -8.006 170 2HB TYR 23 2HB TYR 23 -10.302 3.921 -8.782 171 HD1 TYR 23 HD1 TYR 23 -10.414 3.926 -11.351 172 HD2 TYR 23 HD2 TYR 23 -7.212 5.712 -9.148 173 HE1 TYR 23 HE1 TYR 23 -8.937 3.844 -13.419 174 HE2 TYR 23 HE2 TYR 23 -5.745 5.625 -11.223 175 HH TYR 23 HH TYR 23 -6.215 5.610 -13.758 176 QB TYR 23 QB TYR 23 -9.725 4.455 -8.394 177 QD TYR 23 QD TYR 23 -8.813 4.819 -10.250 178 QE TYR 23 QE TYR 23 -7.341 4.734 -12.321 179 QR TYR 23 QR TYR 23 -8.077 4.777 -11.285 180 H ARG 24 H ARG 24 -12.906 4.897 -9.961 181 HA ARG 24 HA ARG 24 -12.217 5.780 -12.606 182 1HB ARG 24 1HB ARG 24 -13.103 3.408 -11.929 183 2HB ARG 24 2HB ARG 24 -14.680 4.163 -11.826 184 1HG ARG 24 1HG ARG 24 -14.921 4.082 -14.078 185 2HG ARG 24 2HG ARG 24 -13.440 4.990 -14.308 186 1HD ARG 24 2HD ARG 24 -12.518 2.438 -13.573 187 2HD ARG 24 1HD ARG 24 -12.539 3.099 -15.196 188 HE ARG 24 HE ARG 24 -14.348 1.078 -14.118 189 1HH1 ARG 24 1HH1 ARG 24 -14.042 3.627 -16.560 190 2HH1 ARG 24 2HH1 ARG 24 -15.241 2.941 -17.606 191 2HH2 ARG 24 HH2 ARG 24 -16.337 0.910 -16.961 192 QB ARG 24 QB ARG 24 -13.891 3.785 -11.877 193 QG ARG 24 QG ARG 24 -14.181 4.536 -14.193 194 QD ARG 24 QD ARG 24 -12.529 2.769 -14.384 195 QH1 ARG 24 QH1 ARG 24 -14.641 3.284 -17.083 196 H GLN 25 H GLN 25 -14.383 6.539 -9.937 197 HA GLN 25 HA GLN 25 -16.439 7.722 -11.362 198 1HB GLN 25 1HB GLN 25 -15.418 7.801 -8.552 199 2HB GLN 25 2HB GLN 25 -16.455 9.131 -9.025 200 1HG GLN 25 1HG GLN 25 -17.805 6.929 -10.078 201 2HG GLN 25 2HG GLN 25 -17.130 6.276 -8.599 202 2HE2 GLN 25 1HE2 GLN 25 -17.230 7.981 -6.719 203 1HE2 GLN 25 2HE2 GLN 25 -18.792 8.675 -6.437 204 QB GLN 25 QB GLN 25 -15.936 8.466 -8.788 205 QG GLN 25 QG GLN 25 -17.467 6.602 -9.338 206 QE GLN 25 QE GLN 25 -18.011 8.328 -6.578 207 H VAL 26 H VAL 26 -13.274 8.963 -10.199 208 HA VAL 26 HA VAL 26 -13.867 11.653 -10.963 209 HB VAL 26 HB VAL 26 -11.860 12.172 -10.022 210 1HG1 VAL 26 1HG1 VAL 26 -13.340 10.659 -8.509 211 2HG1 VAL 26 2HG1 VAL 26 -12.046 9.457 -8.727 212 3HG1 VAL 26 3HG1 VAL 26 -11.678 11.037 -7.994 213 1HG2 VAL 26 1HG2 VAL 26 -10.850 9.509 -11.044 214 2HG2 VAL 26 2HG2 VAL 26 -10.333 11.148 -11.509 215 3HG2 VAL 26 3HG2 VAL 26 -9.923 10.508 -9.899 216 MG1 VAL 26 MG1 VAL 26 -12.355 10.384 -8.410 217 MG2 VAL 26 MG2 VAL 26 -10.369 10.388 -10.817 218 QG VAL 26 QG VAL 26 -11.362 10.386 -9.614 219 H GLU 27 H GLU 27 -12.118 8.829 -12.351 220 HA GLU 27 HA GLU 27 -10.831 9.997 -14.392 221 1HB GLU 27 1HB GLU 27 -10.714 7.592 -13.894 222 2HB GLU 27 2HB GLU 27 -12.373 7.366 -14.413 223 1HG GLU 27 1HG GLU 27 -10.911 8.714 -16.528 224 2HG GLU 27 2HG GLU 27 -9.999 7.304 -16.024 225 HE2 GLU 27 HE2 GLU 27 -12.407 8.049 -18.183 226 QB GLU 27 QB GLU 27 -11.543 7.479 -14.154 227 QG GLU 27 QG GLU 27 -10.455 8.009 -16.276 228 H ALA 28 H ALA 28 -11.301 10.714 -16.517 229 HA ALA 28 HA ALA 28 -14.172 10.920 -17.120 230 1HB ALA 28 3HB ALA 28 -13.879 13.150 -17.824 231 2HB ALA 28 2HB ALA 28 -12.110 12.983 -17.928 232 3HB ALA 28 1HB ALA 28 -12.906 13.051 -16.337 233 MB ALA 28 MB ALA 28 -12.965 13.061 -17.363 234 H GLY 29 H GLY 29 -14.774 10.596 -19.301 235 1HA GLY 29 1HA GLY 29 -14.456 10.121 -21.516 236 2HA GLY 29 2HA GLY 29 -12.718 10.161 -21.295 237 QA GLY 29 QA GLY 29 -13.587 10.141 -21.405 238 H ASN 30 H ASN 30 -13.046 8.148 -22.768 239 HA ASN 30 HA ASN 30 -13.463 5.858 -21.011 240 1HB ASN 30 1HB ASN 30 -14.992 6.404 -23.206 241 2HB ASN 30 2HB ASN 30 -13.688 5.544 -24.001 242 2HD2 ASN 30 1HD2 ASN 30 -16.628 5.208 -22.646 243 1HD2 ASN 30 2HD2 ASN 30 -16.606 3.545 -22.162 244 QB ASN 30 QB ASN 30 -14.340 5.974 -23.604 245 QD ASN 30 QD ASN 30 -16.617 4.376 -22.404 246 H THR 31 H THR 31 -10.956 7.018 -21.008 247 HA THR 31 HA THR 31 -9.391 5.484 -22.973 248 HB THR 31 HB THR 31 -7.624 7.219 -22.425 249 HG1 THR 31 HG1 THR 31 -8.128 8.274 -20.546 250 1HG2 THR 31 1HG2 THR 31 -10.372 8.315 -23.221 251 2HG2 THR 31 2HG2 THR 31 -8.851 9.230 -23.356 252 3HG2 THR 31 3HG2 THR 31 -9.097 7.762 -24.333 253 MG THR 31 MG THR 31 -9.440 8.436 -23.637 254 H GLY 32 H GLY 32 -10.095 6.000 -19.548 255 1HA GLY 32 1HA GLY 32 -9.703 4.413 -17.917 256 2HA GLY 32 2HA GLY 32 -8.518 3.623 -18.938 257 QA GLY 32 QA GLY 32 -9.111 4.018 -18.427 258 H ARG 33 H ARG 33 -8.498 7.158 -18.499 259 HA ARG 33 HA ARG 33 -6.232 6.815 -16.708 260 1HB ARG 33 1HB ARG 33 -6.425 8.327 -19.303 261 2HB ARG 33 2HB ARG 33 -5.523 9.103 -18.017 262 1HG ARG 33 1HG ARG 33 -4.013 7.202 -17.813 263 2HG ARG 33 2HG ARG 33 -5.013 6.218 -18.863 264 1HD ARG 33 1HD ARG 33 -4.585 8.028 -20.690 265 2HD ARG 33 2HD ARG 33 -3.328 8.637 -19.632 266 HE ARG 33 HE ARG 33 -2.970 5.813 -19.906 267 1HH1 ARG 33 1HH1 ARG 33 -2.695 8.764 -21.848 268 2HH1 ARG 33 2HH1 ARG 33 -1.480 8.110 -22.896 269 2HH2 ARG 33 HH2 ARG 33 -0.716 5.865 -22.548 270 QB ARG 33 QB ARG 33 -5.974 8.715 -18.660 271 QG ARG 33 QG ARG 33 -4.513 6.710 -18.338 272 QD ARG 33 QD ARG 33 -3.957 8.333 -20.161 273 QH1 ARG 33 QH1 ARG 33 -2.088 8.437 -22.372 274 H VAL 34 H VAL 34 -6.011 8.462 -15.074 275 HA VAL 34 HA VAL 34 -8.464 9.921 -14.605 276 HB VAL 34 HB VAL 34 -5.948 9.602 -12.955 277 1HG1 VAL 34 1HG1 VAL 34 -8.439 11.155 -12.575 278 2HG1 VAL 34 2HG1 VAL 34 -7.940 10.164 -11.183 279 3HG1 VAL 34 3HG1 VAL 34 -6.824 11.375 -11.860 280 1HG2 VAL 34 1HG2 VAL 34 -7.395 7.523 -13.528 281 2HG2 VAL 34 2HG2 VAL 34 -6.957 7.822 -11.829 282 3HG2 VAL 34 3HG2 VAL 34 -8.585 8.241 -12.415 283 MG1 VAL 34 MG1 VAL 34 -7.734 10.898 -11.873 284 MG2 VAL 34 MG2 VAL 34 -7.646 7.862 -12.591 285 QG VAL 34 QG VAL 34 -7.690 9.380 -12.232 286 H LEU 35 H LEU 35 -8.754 11.931 -15.405 287 HA LEU 35 HA LEU 35 -6.641 13.370 -16.572 288 1HB LEU 35 1HB LEU 35 -9.503 13.550 -16.303 289 2HB LEU 35 2HB LEU 35 -8.778 15.119 -16.016 290 HG LEU 35 HG LEU 35 -8.310 13.409 -18.475 291 1HD1 LEU 35 1HD1 LEU 35 -10.561 14.950 -17.799 292 2HD1 LEU 35 2HD1 LEU 35 -9.638 15.921 -18.972 293 3HD1 LEU 35 3HD1 LEU 35 -10.142 14.265 -19.387 294 1HD2 LEU 35 1HD2 LEU 35 -7.002 15.819 -17.437 295 2HD2 LEU 35 2HD2 LEU 35 -6.473 14.665 -18.684 296 3HD2 LEU 35 3HD2 LEU 35 -7.590 15.984 -19.109 297 MD1 LEU 35 MD1 LEU 35 -10.114 15.045 -18.719 298 MD2 LEU 35 MD2 LEU 35 -7.022 15.489 -18.410 299 QB LEU 35 QB LEU 35 -9.140 14.335 -16.159 300 QD LEU 35 QD LEU 35 -8.568 15.267 -18.565 301 H ALA 36 H ALA 36 -7.440 12.814 -13.312 302 HA ALA 36 HA ALA 36 -6.464 13.583 -11.463 303 1HB ALA 36 2HB ALA 36 -5.078 15.950 -12.396 304 2HB ALA 36 3HB ALA 36 -4.404 14.431 -11.759 305 3HB ALA 36 1HB ALA 36 -4.762 14.586 -13.495 306 MB ALA 36 MB ALA 36 -4.748 14.989 -12.550 307 H LEU 37 H LEU 37 -7.321 16.336 -13.680 308 HA LEU 37 HA LEU 37 -8.089 18.180 -11.885 309 1HB LEU 37 1HB LEU 37 -9.087 17.422 -14.596 310 2HB LEU 37 2HB LEU 37 -9.960 18.642 -13.690 311 HG LEU 37 HG LEU 37 -8.143 19.385 -15.361 312 1HD1 LEU 37 1HD1 LEU 37 -9.263 20.579 -13.184 313 2HD1 LEU 37 2HD1 LEU 37 -7.529 20.734 -12.814 314 3HD1 LEU 37 3HD1 LEU 37 -8.175 21.383 -14.340 315 1HD2 LEU 37 1HD2 LEU 37 -6.392 17.840 -14.643 316 2HD2 LEU 37 2HD2 LEU 37 -5.868 19.532 -14.473 317 3HD2 LEU 37 3HD2 LEU 37 -6.361 18.605 -13.036 318 MD1 LEU 37 MD1 LEU 37 -8.322 20.899 -13.446 319 MD2 LEU 37 MD2 LEU 37 -6.207 18.659 -14.051 320 QB LEU 37 QB LEU 37 -9.523 18.032 -14.143 321 QD LEU 37 QD LEU 37 -7.265 19.779 -13.748 322 H ASP 38 H ASP 38 -9.963 15.282 -12.920 323 HA ASP 38 HA ASP 38 -12.208 16.013 -11.389 324 1HB ASP 38 1HB ASP 38 -11.352 13.811 -13.130 325 2HB ASP 38 2HB ASP 38 -12.209 13.195 -11.731 326 HD2 ASP 38 HD2 ASP 38 -13.421 12.976 -14.260 327 QB ASP 38 QB ASP 38 -11.780 13.503 -12.430 328 H ALA 39 H ALA 39 -9.315 13.889 -10.985 329 HA ALA 39 HA ALA 39 -10.008 12.521 -8.716 330 1HB ALA 39 2HB ALA 39 -7.552 12.379 -8.341 331 2HB ALA 39 3HB ALA 39 -7.993 12.089 -10.041 332 3HB ALA 39 1HB ALA 39 -7.311 13.659 -9.554 333 MB ALA 39 MB ALA 39 -7.618 12.709 -9.312 334 H ALA 40 H ALA 40 -8.663 15.855 -9.060 335 HA ALA 40 HA ALA 40 -8.456 16.275 -6.269 336 1HB ALA 40 2HB ALA 40 -8.315 18.717 -7.083 337 2HB ALA 40 3HB ALA 40 -7.080 17.588 -7.688 338 3HB ALA 40 1HB ALA 40 -8.449 18.050 -8.728 339 MB ALA 40 MB ALA 40 -7.948 18.118 -7.833 340 H ALA 41 H ALA 41 -11.054 16.480 -8.665 341 HA ALA 41 HA ALA 41 -12.727 18.201 -7.173 342 1HB ALA 41 1HB ALA 41 -12.688 17.261 -9.719 343 2HB ALA 41 2HB ALA 41 -13.916 16.183 -9.015 344 3HB ALA 41 3HB ALA 41 -14.140 17.947 -8.952 345 MB ALA 41 MB ALA 41 -13.581 17.131 -9.229 346 H PHE 42 H PHE 42 -12.427 14.607 -7.487 347 HA PHE 42 HA PHE 42 -14.584 14.032 -5.799 348 1HB PHE 42 1HB PHE 42 -13.544 12.413 -7.369 349 2HB PHE 42 2HB PHE 42 -11.982 12.603 -6.596 350 HD1 PHE 42 HD1 PHE 42 -15.367 11.201 -6.175 351 HD2 PHE 42 HD2 PHE 42 -11.409 11.350 -4.654 352 HE1 PHE 42 HE1 PHE 42 -15.869 9.249 -4.679 353 HE2 PHE 42 HE2 PHE 42 -11.910 9.398 -3.158 354 HZ PHE 42 HZ PHE 42 -14.134 8.371 -3.188 355 QB PHE 42 QB PHE 42 -12.763 12.508 -6.983 356 QD PHE 42 QD PHE 42 -13.388 11.275 -5.415 357 QE PHE 42 QE PHE 42 -13.889 9.323 -3.919 358 QR PHE 42 QR PHE 42 -13.639 10.299 -4.667 359 H LEU 43 H LEU 43 -11.125 14.736 -5.202 360 HA LEU 43 HA LEU 43 -10.992 13.772 -2.595 361 1HB LEU 43 1HB LEU 43 -9.501 15.922 -4.086 362 2HB LEU 43 2HB LEU 43 -9.130 15.514 -2.422 363 HG LEU 43 HG LEU 43 -9.075 13.508 -4.690 364 1HD1 LEU 43 1HD1 LEU 43 -7.415 15.559 -4.714 365 2HD1 LEU 43 2HD1 LEU 43 -6.570 14.599 -3.476 366 3HD1 LEU 43 3HD1 LEU 43 -6.858 13.911 -5.092 367 1HD2 LEU 43 1HD2 LEU 43 -8.357 13.409 -1.777 368 2HD2 LEU 43 2HD2 LEU 43 -9.281 12.252 -2.763 369 3HD2 LEU 43 3HD2 LEU 43 -7.514 12.364 -2.945 370 MD1 LEU 43 MD1 LEU 43 -6.948 14.689 -4.427 371 MD2 LEU 43 MD2 LEU 43 -8.384 12.675 -2.495 372 QB LEU 43 QB LEU 43 -9.315 15.718 -3.254 373 QD LEU 43 QD LEU 43 -7.666 13.682 -3.461 374 H LYS 44 H LYS 44 -11.905 17.026 -3.891 375 HA LYS 44 HA LYS 44 -12.220 18.324 -1.500 376 1HB LYS 44 1HB LYS 44 -13.696 18.602 -4.128 377 2HB LYS 44 2HB LYS 44 -13.921 19.707 -2.787 378 1HG LYS 44 1HG LYS 44 -11.074 19.318 -3.217 379 2HG LYS 44 2HG LYS 44 -11.828 19.724 -4.745 380 1HD LYS 44 1HD LYS 44 -12.707 21.347 -2.383 381 2HD LYS 44 2HD LYS 44 -11.051 21.590 -2.904 382 1HE LYS 44 1HE LYS 44 -12.063 21.812 -5.318 383 2HE LYS 44 2HE LYS 44 -13.601 22.015 -4.505 384 QB LYS 44 QB LYS 44 -13.809 19.154 -3.457 385 QD LYS 44 QD LYS 44 -11.879 21.468 -2.644 386 QG LYS 44 QG LYS 44 -11.451 19.521 -3.981 387 QE LYS 44 QE LYS 44 -12.832 21.914 -4.912 388 QZ LYS 44 QZ LYS 44 -11.767 23.784 -3.771 389 H LYS 45 H LYS 45 -14.025 15.642 -2.807 390 HA LYS 45 HA LYS 45 -16.373 16.177 -1.240 391 1HB LYS 45 2HB LYS 45 -17.236 14.167 -2.197 392 2HB LYS 45 1HB LYS 45 -15.643 13.612 -2.669 393 1HG LYS 45 1HG LYS 45 -16.769 16.236 -3.722 394 2HG LYS 45 2HG LYS 45 -15.433 15.303 -4.368 395 1HD LYS 45 1HD LYS 45 -17.012 13.458 -4.973 396 2HD LYS 45 2HD LYS 45 -18.348 14.385 -4.321 397 1HE LYS 45 1HE LYS 45 -16.626 15.763 -6.364 398 2HE LYS 45 2HE LYS 45 -17.647 14.464 -6.947 399 QB LYS 45 QB LYS 45 -16.440 13.889 -2.433 400 QD LYS 45 QD LYS 45 -17.680 13.921 -4.647 401 QG LYS 45 QG LYS 45 -16.101 15.769 -4.045 402 QE LYS 45 QE LYS 45 -17.136 15.114 -6.655 403 QZ LYS 45 QZ LYS 45 -18.977 16.344 -5.638 404 H SER 46 H SER 46 -13.468 15.792 -0.115 405 HA SER 46 HA SER 46 -13.971 13.492 1.553 406 1HB SER 46 2HB SER 46 -11.711 13.946 0.474 407 2HB SER 46 1HB SER 46 -11.666 13.642 2.199 408 HG SER 46 HG SER 46 -11.245 16.081 0.773 409 QB SER 46 QB SER 46 -11.688 13.794 1.336 410 H GLY 47 H GLY 47 -12.749 16.884 2.104 411 1HA GLY 47 1HA GLY 47 -14.563 18.023 3.639 412 2HA GLY 47 2HA GLY 47 -13.934 16.846 4.775 413 QA GLY 47 QA GLY 47 -14.248 17.434 4.207 414 H LEU 48 H LEU 48 -11.166 16.849 3.699 415 HA LEU 48 HA LEU 48 -10.110 18.874 5.285 416 1HB LEU 48 1HB LEU 48 -9.037 16.982 3.235 417 2HB LEU 48 2HB LEU 48 -8.011 18.282 3.811 418 HG LEU 48 HG LEU 48 -9.383 16.559 5.839 419 1HD1 LEU 48 1HD1 LEU 48 -7.158 15.669 4.023 420 2HD1 LEU 48 2HD1 LEU 48 -7.268 15.069 5.696 421 3HD1 LEU 48 3HD1 LEU 48 -8.609 14.787 4.559 422 1HD2 LEU 48 1HD2 LEU 48 -7.974 18.606 6.369 423 2HD2 LEU 48 2HD2 LEU 48 -7.544 17.099 7.214 424 3HD2 LEU 48 3HD2 LEU 48 -6.568 17.655 5.833 425 MD1 LEU 48 MD1 LEU 48 -7.678 15.175 4.759 426 MD2 LEU 48 MD2 LEU 48 -7.362 17.787 6.472 427 QB LEU 48 QB LEU 48 -8.524 17.632 3.523 428 QD LEU 48 QD LEU 48 -7.520 16.481 5.616 429 HA PRO 49 HA PRO 49 -9.989 22.322 2.694 430 1HB PRO 49 1HB PRO 49 -7.646 23.559 3.363 431 2HB PRO 49 2HB PRO 49 -9.097 23.663 4.339 432 1HG PRO 49 2HG PRO 49 -7.904 22.535 5.959 433 2HG PRO 49 1HG PRO 49 -6.646 22.084 4.826 434 1HD PRO 49 1HD PRO 49 -7.531 19.964 4.745 435 2HD PRO 49 2HD PRO 49 -8.854 20.449 5.787 436 QB PRO 49 QB PRO 49 -8.372 23.611 3.851 437 QG PRO 49 QG PRO 49 -7.275 22.310 5.393 438 QD PRO 49 QD PRO 49 -8.192 20.206 5.266 439 H ASP 50 H ASP 50 -8.435 23.759 1.183 440 HA ASP 50 HA ASP 50 -7.685 21.816 -0.771 441 1HB ASP 50 1HB ASP 50 -8.836 23.776 -1.577 442 2HB ASP 50 2HB ASP 50 -7.777 24.856 -0.691 443 HD2 ASP 50 HD2 ASP 50 -8.159 25.321 -3.228 444 QB ASP 50 QB ASP 50 -8.307 24.316 -1.134 445 H LEU 51 H LEU 51 -6.215 24.225 1.453 446 HA LEU 51 HA LEU 51 -3.647 24.261 0.381 447 1HB LEU 51 1HB LEU 51 -3.230 25.658 2.052 448 2HB LEU 51 2HB LEU 51 -4.956 25.573 2.343 449 HG LEU 51 HG LEU 51 -3.308 23.511 3.705 450 1HD1 LEU 51 1HD1 LEU 51 -1.961 25.656 3.825 451 2HD1 LEU 51 2HD1 LEU 51 -3.302 26.336 4.777 452 3HD1 LEU 51 3HD1 LEU 51 -2.413 24.917 5.380 453 1HD2 LEU 51 1HD2 LEU 51 -5.761 23.690 3.973 454 2HD2 LEU 51 2HD2 LEU 51 -4.877 23.872 5.507 455 3HD2 LEU 51 3HD2 LEU 51 -5.543 25.305 4.688 456 MD1 LEU 51 MD1 LEU 51 -2.559 25.636 4.661 457 MD2 LEU 51 MD2 LEU 51 -5.394 24.289 4.723 458 QB LEU 51 QB LEU 51 -4.093 25.616 2.198 459 QD LEU 51 QD LEU 51 -3.976 24.963 4.692 460 H ILE 52 H ILE 52 -5.097 22.202 2.991 461 HA ILE 52 HA ILE 52 -2.757 20.726 3.429 462 HB ILE 52 HB ILE 52 -5.672 20.196 3.975 463 1HG1 ILE 52 1HG1 ILE 52 -4.175 22.053 5.124 464 2HG1 ILE 52 2HG1 ILE 52 -5.344 21.115 6.033 465 1HG2 ILE 52 1HG2 ILE 52 -3.259 18.496 4.600 466 2HG2 ILE 52 2HG2 ILE 52 -4.747 18.431 5.575 467 3HG2 ILE 52 3HG2 ILE 52 -4.799 18.022 3.844 468 1HD1 ILE 52 1HD1 ILE 52 -2.370 20.459 5.793 469 2HD1 ILE 52 2HD1 ILE 52 -3.158 21.204 7.205 470 3HD1 ILE 52 3HD1 ILE 52 -3.561 19.535 6.739 471 MG ILE 52 MG ILE 52 -4.269 18.316 4.673 472 MD ILE 52 MD ILE 52 -3.030 20.399 6.579 473 QG ILE 52 QG ILE 52 -4.759 21.584 5.579 474 H LEU 53 H LEU 53 -5.444 20.442 1.089 475 HA LEU 53 HA LEU 53 -4.809 17.841 0.233 476 1HB LEU 53 1HB LEU 53 -6.551 20.061 -0.592 477 2HB LEU 53 2HB LEU 53 -6.007 19.045 -1.913 478 HG LEU 53 HG LEU 53 -7.227 17.843 0.569 479 1HD1 LEU 53 1HD1 LEU 53 -8.618 19.210 -1.710 480 2HD1 LEU 53 2HD1 LEU 53 -9.361 17.789 -0.937 481 3HD1 LEU 53 3HD1 LEU 53 -8.984 19.234 0.031 482 1HD2 LEU 53 1HD2 LEU 53 -6.978 16.894 -2.298 483 2HD2 LEU 53 2HD2 LEU 53 -6.073 16.295 -0.886 484 3HD2 LEU 53 3HD2 LEU 53 -7.829 16.027 -0.997 485 MD1 LEU 53 MD1 LEU 53 -8.988 18.744 -0.872 486 MD2 LEU 53 MD2 LEU 53 -6.960 16.405 -1.394 487 QB LEU 53 QB LEU 53 -6.279 19.553 -1.252 488 QD LEU 53 QD LEU 53 -7.974 17.575 -1.133 489 H GLY 54 H GLY 54 -3.965 21.118 -1.079 490 1HA GLY 54 1HA GLY 54 -2.568 20.567 -3.285 491 2HA GLY 54 2HA GLY 54 -2.048 21.763 -2.115 492 QA GLY 54 QA GLY 54 -2.308 21.165 -2.700 493 H LYS 55 H LYS 55 -1.262 20.232 0.091 494 HA LYS 55 HA LYS 55 1.285 19.427 -0.669 495 1HB LYS 55 1HB LYS 55 -0.371 19.338 1.801 496 2HB LYS 55 2HB LYS 55 0.994 18.242 1.740 497 1HG LYS 55 1HG LYS 55 1.706 20.919 0.739 498 2HG LYS 55 2HG LYS 55 1.080 20.986 2.374 499 1HD LYS 55 1HD LYS 55 2.704 19.112 2.988 500 2HD LYS 55 2HD LYS 55 3.400 19.264 1.387 501 1HE LYS 55 1HE LYS 55 4.320 21.382 1.828 502 2HE LYS 55 2HE LYS 55 3.124 21.770 3.048 503 QB LYS 55 QB LYS 55 0.312 18.790 1.770 504 QD LYS 55 QD LYS 55 3.052 19.188 2.187 505 QG LYS 55 QG LYS 55 1.393 20.952 1.556 506 QE LYS 55 QE LYS 55 3.722 21.576 2.438 507 QZ LYS 55 QZ LYS 55 4.552 20.265 4.258 508 H ILE 56 H ILE 56 -1.702 17.512 0.036 509 HA ILE 56 HA ILE 56 -0.585 15.005 -0.197 510 HB ILE 56 HB ILE 56 -3.342 16.055 -0.812 511 1HG1 ILE 56 1HG1 ILE 56 -2.175 14.583 1.569 512 2HG1 ILE 56 2HG1 ILE 56 -2.630 16.275 1.513 513 1HG2 ILE 56 1HG2 ILE 56 -2.321 13.211 -0.841 514 2HG2 ILE 56 2HG2 ILE 56 -4.035 13.626 -0.600 515 3HG2 ILE 56 3HG2 ILE 56 -3.212 14.085 -2.110 516 1HD1 ILE 56 1HD1 ILE 56 -4.959 15.084 0.632 517 2HD1 ILE 56 2HD1 ILE 56 -4.344 13.864 1.773 518 3HD1 ILE 56 3HD1 ILE 56 -4.634 15.531 2.324 519 MG ILE 56 MG ILE 56 -3.190 13.641 -1.184 520 MD ILE 56 MD ILE 56 -4.646 14.826 1.576 521 QG ILE 56 QG ILE 56 -2.403 15.429 1.541 522 H TRP 57 H TRP 57 -2.149 17.027 -2.780 523 HA TRP 57 HA TRP 57 -1.703 15.275 -4.865 524 1HB TRP 57 1HB TRP 57 -3.128 17.348 -4.833 525 2HB TRP 57 2HB TRP 57 -1.664 18.290 -5.034 526 HD1 TRP 57 HD1 TRP 57 -0.312 17.886 -7.455 527 HE1 TRP 57 HE1 TRP 57 -1.154 17.265 -9.877 528 HE3 TRP 57 HE3 TRP 57 -4.822 16.055 -5.987 529 HZ2 TRP 57 HZ2 TRP 57 -3.558 16.104 -10.885 530 HZ3 TRP 57 HZ3 TRP 57 -6.358 15.197 -7.753 531 HH2 TRP 57 HH2 TRP 57 -5.788 15.201 -10.130 532 QB TRP 57 QB TRP 57 -2.396 17.819 -4.933 533 H ASP 58 H ASP 58 0.295 18.136 -3.814 534 HA ASP 58 HA ASP 58 2.320 17.904 -5.534 535 1HB ASP 58 1HB ASP 58 1.886 19.442 -3.387 536 2HB ASP 58 2HB ASP 58 2.977 18.313 -2.609 537 HD2 ASP 58 HD2 ASP 58 5.348 20.622 -3.594 538 QB ASP 58 QB ASP 58 2.431 18.878 -2.998 539 H LEU 59 H LEU 59 1.677 15.981 -2.556 540 HA LEU 59 HA LEU 59 4.169 14.585 -2.690 541 1HB LEU 59 1HB LEU 59 3.220 14.958 -0.556 542 2HB LEU 59 2HB LEU 59 1.668 14.303 -1.038 543 HG LEU 59 HG LEU 59 3.145 12.873 0.474 544 1HD1 LEU 59 1HD1 LEU 59 1.211 12.217 -1.329 545 2HD1 LEU 59 2HD1 LEU 59 2.546 11.163 -1.851 546 3HD1 LEU 59 3HD1 LEU 59 1.954 11.084 -0.174 547 1HD2 LEU 59 1HD2 LEU 59 4.745 12.792 -2.065 548 2HD2 LEU 59 2HD2 LEU 59 5.289 12.951 -0.377 549 3HD2 LEU 59 3HD2 LEU 59 4.711 11.380 -0.982 550 MD1 LEU 59 MD1 LEU 59 1.904 11.488 -1.118 551 MD2 LEU 59 MD2 LEU 59 4.915 12.374 -1.141 552 QB LEU 59 QB LEU 59 2.444 14.630 -0.797 553 QD LEU 59 QD LEU 59 3.409 11.931 -1.130 554 H ALA 60 H ALA 60 0.861 14.185 -3.927 555 HA ALA 60 HA ALA 60 1.097 11.442 -4.540 556 1HB ALA 60 2HB ALA 60 -0.678 12.903 -6.313 557 2HB ALA 60 3HB ALA 60 -1.078 11.754 -5.014 558 3HB ALA 60 1HB ALA 60 -0.860 13.480 -4.639 559 MB ALA 60 MB ALA 60 -0.872 12.712 -5.322 560 H ASP 61 H ASP 61 1.381 14.441 -6.580 561 HA ASP 61 HA ASP 61 1.896 13.462 -8.945 562 1HB ASP 61 1HB ASP 61 2.109 15.798 -8.751 563 2HB ASP 61 2HB ASP 61 3.211 15.690 -7.393 564 HD2 ASP 61 HD2 ASP 61 6.033 15.532 -9.434 565 QB ASP 61 QB ASP 61 2.660 15.744 -8.072 566 H THR 62 H THR 62 3.456 12.139 -9.950 567 HA THR 62 HA THR 62 6.131 11.970 -9.122 568 HB THR 62 HB THR 62 4.149 10.047 -7.893 569 HG1 THR 62 HG1 THR 62 5.183 11.483 -6.476 570 1HG2 THR 62 1HG2 THR 62 7.002 9.390 -8.779 571 2HG2 THR 62 2HG2 THR 62 6.183 8.533 -7.452 572 3HG2 THR 62 3HG2 THR 62 5.528 8.446 -9.105 573 MG THR 62 MG THR 62 6.238 8.790 -8.445 574 H ASP 63 H ASP 63 3.315 10.362 -10.666 575 HA ASP 63 HA ASP 63 5.013 9.003 -12.489 576 1HB ASP 63 1HB ASP 63 2.402 8.694 -11.620 577 2HB ASP 63 2HB ASP 63 2.145 9.406 -13.201 578 HD2 ASP 63 HD2 ASP 63 3.857 7.279 -14.939 579 QB ASP 63 QB ASP 63 2.274 9.050 -12.410 580 H GLY 64 H GLY 64 2.295 11.405 -12.933 581 1HA GLY 64 1HA GLY 64 3.893 13.092 -14.631 582 2HA GLY 64 2HA GLY 64 2.710 12.147 -15.512 583 QA GLY 64 QA GLY 64 3.302 12.620 -15.072 584 H LYS 65 H LYS 65 3.138 15.146 -14.351 585 HA LYS 65 HA LYS 65 0.832 15.595 -12.797 586 1HB LYS 65 1HB LYS 65 2.946 17.015 -12.972 587 2HB LYS 65 2HB LYS 65 2.303 17.633 -14.480 588 1HG LYS 65 1HG LYS 65 1.325 19.199 -13.112 589 2HG LYS 65 2HG LYS 65 0.098 17.963 -12.914 590 1HD LYS 65 2HD LYS 65 2.016 17.220 -11.021 591 2HD LYS 65 1HD LYS 65 0.522 18.072 -10.683 592 1HE LYS 65 1HE LYS 65 3.171 19.033 -10.301 593 2HE LYS 65 2HE LYS 65 2.550 19.938 -11.667 594 QB LYS 65 QB LYS 65 2.625 17.324 -13.726 595 QD LYS 65 QD LYS 65 1.269 17.646 -10.852 596 QG LYS 65 QG LYS 65 0.711 18.581 -13.013 597 QE LYS 65 QE LYS 65 2.861 19.486 -10.984 598 QZ LYS 65 QZ LYS 65 0.895 20.412 -9.956 599 H GLY 66 H GLY 66 -1.165 16.653 -13.406 600 1HA GLY 66 1HA GLY 66 -2.774 17.337 -14.903 601 2HA GLY 66 2HA GLY 66 -1.785 16.799 -16.246 602 QA GLY 66 QA GLY 66 -2.280 17.068 -15.575 603 H VAL 67 H VAL 67 -1.496 14.240 -14.211 604 HA VAL 67 HA VAL 67 -4.089 13.062 -14.560 605 HB VAL 67 HB VAL 67 -1.716 12.029 -16.126 606 1HG1 VAL 67 1HG1 VAL 67 -3.721 10.522 -14.985 607 2HG1 VAL 67 2HG1 VAL 67 -4.356 10.832 -16.619 608 3HG1 VAL 67 3HG1 VAL 67 -2.765 10.061 -16.414 609 1HG2 VAL 67 1HG2 VAL 67 -4.315 13.326 -17.000 610 2HG2 VAL 67 2HG2 VAL 67 -2.656 13.912 -17.273 611 3HG2 VAL 67 3HG2 VAL 67 -3.227 12.441 -18.097 612 MG1 VAL 67 MG1 VAL 67 -3.614 10.472 -16.006 613 MG2 VAL 67 MG2 VAL 67 -3.400 13.227 -17.457 614 QG VAL 67 QG VAL 67 -3.507 11.849 -16.731 615 H LEU 68 H LEU 68 -4.372 11.257 -13.190 616 HA LEU 68 HA LEU 68 -2.158 10.910 -11.313 617 1HB LEU 68 1HB LEU 68 -5.114 10.335 -11.076 618 2HB LEU 68 2HB LEU 68 -3.927 9.946 -9.847 619 HG LEU 68 HG LEU 68 -4.845 12.668 -10.771 620 1HD1 LEU 68 1HD1 LEU 68 -6.018 11.261 -8.946 621 2HD1 LEU 68 2HD1 LEU 68 -4.615 11.685 -7.936 622 3HD1 LEU 68 3HD1 LEU 68 -5.647 12.970 -8.610 623 1HD2 LEU 68 1HD2 LEU 68 -2.404 12.047 -9.085 624 2HD2 LEU 68 2HD2 LEU 68 -2.431 12.812 -10.692 625 3HD2 LEU 68 3HD2 LEU 68 -3.130 13.659 -9.291 626 MD1 LEU 68 MD1 LEU 68 -5.427 11.972 -8.497 627 MD2 LEU 68 MD2 LEU 68 -2.655 12.839 -9.689 628 QB LEU 68 QB LEU 68 -4.520 10.140 -10.462 629 QD LEU 68 QD LEU 68 -4.041 12.406 -9.093 630 H SER 69 H SER 69 -2.352 8.509 -10.263 631 HA SER 69 HA SER 69 -2.623 6.661 -12.490 632 1HB SER 69 2HB SER 69 -0.521 5.543 -11.868 633 2HB SER 69 1HB SER 69 -0.290 6.645 -10.526 634 HG SER 69 HG SER 69 -0.659 7.972 -12.959 635 QB SER 69 QB SER 69 -0.406 6.094 -11.197 636 H LYS 70 H LYS 70 -1.824 4.310 -11.099 637 HA LYS 70 HA LYS 70 -4.148 3.770 -9.632 638 1HB LYS 70 1HB LYS 70 -1.542 2.273 -9.991 639 2HB LYS 70 2HB LYS 70 -2.889 1.629 -9.074 640 1HG LYS 70 1HG LYS 70 -3.860 0.933 -10.997 641 2HG LYS 70 2HG LYS 70 -3.992 2.597 -11.529 642 1HD LYS 70 1HD LYS 70 -1.256 1.476 -11.811 643 2HD LYS 70 2HD LYS 70 -2.459 0.635 -12.768 644 1HE LYS 70 1HE LYS 70 -2.995 3.440 -13.059 645 2HE LYS 70 2HE LYS 70 -1.264 3.239 -13.242 646 QB LYS 70 QB LYS 70 -2.215 1.951 -9.532 647 QD LYS 70 QD LYS 70 -1.858 1.056 -12.289 648 QG LYS 70 QG LYS 70 -3.926 1.765 -11.263 649 QE LYS 70 QE LYS 70 -2.129 3.339 -13.150 650 QZ LYS 70 QZ LYS 70 -2.425 1.607 -14.847 651 H GLN 71 H GLN 71 -1.068 2.890 -8.105 652 HA GLN 71 HA GLN 71 -1.787 3.268 -5.599 653 1HB GLN 71 1HB GLN 71 0.636 2.873 -6.954 654 2HB GLN 71 2HB GLN 71 0.938 4.312 -6.001 655 1HG GLN 71 1HG GLN 71 -0.509 2.386 -4.374 656 2HG GLN 71 2HG GLN 71 0.874 1.593 -5.101 657 2HE2 GLN 71 1HE2 GLN 71 0.577 2.076 -2.367 658 1HE2 GLN 71 2HE2 GLN 71 1.803 3.174 -1.829 659 QB GLN 71 QB GLN 71 0.787 3.592 -6.477 660 QG GLN 71 QG GLN 71 0.182 1.989 -4.738 661 QE GLN 71 QE GLN 71 1.190 2.625 -2.098 662 H GLU 72 H GLU 72 -0.475 5.861 -7.759 663 HA GLU 72 HA GLU 72 -0.182 7.887 -6.081 664 1HB GLU 72 1HB GLU 72 -1.040 7.631 -8.907 665 2HB GLU 72 2HB GLU 72 -1.501 9.152 -8.170 666 1HG GLU 72 1HG GLU 72 1.133 8.799 -7.280 667 2HG GLU 72 2HG GLU 72 1.184 8.166 -8.913 668 HE2 GLU 72 HE2 GLU 72 0.604 9.612 -10.569 669 QB GLU 72 QB GLU 72 -1.271 8.391 -8.538 670 QG GLU 72 QG GLU 72 1.159 8.482 -8.096 671 H PHE 73 H PHE 73 -3.336 7.517 -7.860 672 HA PHE 73 HA PHE 73 -4.736 9.213 -6.180 673 1HB PHE 73 1HB PHE 73 -5.563 8.548 -8.388 674 2HB PHE 73 2HB PHE 73 -5.422 6.844 -8.000 675 HD1 PHE 73 HD1 PHE 73 -6.942 6.023 -6.011 676 HD2 PHE 73 HD2 PHE 73 -7.644 9.551 -8.262 677 HE1 PHE 73 HE1 PHE 73 -9.357 5.977 -5.329 678 HE2 PHE 73 HE2 PHE 73 -10.059 9.505 -7.579 679 HZ PHE 73 HZ PHE 73 -10.887 7.719 -6.121 680 QB PHE 73 QB PHE 73 -5.493 7.696 -8.194 681 QD PHE 73 QD PHE 73 -7.293 7.787 -7.136 682 QE PHE 73 QE PHE 73 -9.708 7.741 -6.454 683 QR PHE 73 QR PHE 73 -8.500 7.764 -6.795 684 H PHE 74 H PHE 74 -4.275 5.633 -6.073 685 HA PHE 74 HA PHE 74 -6.100 5.177 -4.006 686 1HB PHE 74 1HB PHE 74 -3.874 3.853 -5.482 687 2HB PHE 74 2HB PHE 74 -3.991 3.286 -3.828 688 HD1 PHE 74 HD1 PHE 74 -6.486 4.150 -6.480 689 HD2 PHE 74 HD2 PHE 74 -5.098 1.281 -3.678 690 HE1 PHE 74 HE1 PHE 74 -8.348 2.602 -7.143 691 HE2 PHE 74 HE2 PHE 74 -6.960 -0.267 -4.341 692 HZ PHE 74 HZ PHE 74 -8.563 0.412 -6.065 693 QB PHE 74 QB PHE 74 -3.933 3.569 -4.655 694 QD PHE 74 QD PHE 74 -5.792 2.715 -5.079 695 QE PHE 74 QE PHE 74 -7.654 1.167 -5.742 696 QR PHE 74 QR PHE 74 -6.723 1.941 -5.411 697 H VAL 75 H VAL 75 -3.128 6.878 -3.994 698 HA VAL 75 HA VAL 75 -2.551 6.170 -1.226 699 HB VAL 75 HB VAL 75 -1.095 7.410 -3.498 700 1HG1 VAL 75 1HG1 VAL 75 -0.895 8.371 -0.688 701 2HG1 VAL 75 2HG1 VAL 75 0.636 8.067 -1.544 702 3HG1 VAL 75 3HG1 VAL 75 -0.549 9.211 -2.218 703 1HG2 VAL 75 1HG2 VAL 75 -0.904 4.997 -2.608 704 2HG2 VAL 75 2HG2 VAL 75 0.603 5.891 -2.926 705 3HG2 VAL 75 3HG2 VAL 75 0.010 5.712 -1.257 706 MG1 VAL 75 MG1 VAL 75 -0.269 8.550 -1.483 707 MG2 VAL 75 MG2 VAL 75 -0.097 5.534 -2.264 708 QG VAL 75 QG VAL 75 -0.183 7.042 -1.874 709 H ALA 76 H ALA 76 -3.015 9.152 -3.259 710 HA ALA 76 HA ALA 76 -3.188 10.960 -1.219 711 1HB ALA 76 2HB ALA 76 -4.540 12.298 -2.847 712 2HB ALA 76 1HB ALA 76 -4.678 10.850 -3.872 713 3HB ALA 76 3HB ALA 76 -3.082 11.579 -3.573 714 MB ALA 76 MB ALA 76 -4.100 11.576 -3.431 715 H LEU 77 H LEU 77 -5.432 8.411 -2.134 716 HA LEU 77 HA LEU 77 -7.769 9.506 -1.060 717 1HB LEU 77 1HB LEU 77 -6.942 7.132 -2.320 718 2HB LEU 77 2HB LEU 77 -7.627 6.638 -0.785 719 HG LEU 77 HG LEU 77 -8.986 8.237 -2.966 720 1HD1 LEU 77 1HD1 LEU 77 -8.812 5.822 -3.372 721 2HD1 LEU 77 2HD1 LEU 77 -9.605 5.504 -1.810 722 3HD1 LEU 77 3HD1 LEU 77 -10.497 6.333 -3.109 723 1HD2 LEU 77 1HD2 LEU 77 -9.525 8.197 -0.118 724 2HD2 LEU 77 2HD2 LEU 77 -10.261 9.178 -1.408 725 3HD2 LEU 77 3HD2 LEU 77 -10.901 7.556 -1.048 726 MD1 LEU 77 MD1 LEU 77 -9.638 5.887 -2.763 727 MD2 LEU 77 MD2 LEU 77 -10.229 8.310 -0.858 728 QB LEU 77 QB LEU 77 -7.285 6.885 -1.552 729 QD LEU 77 QD LEU 77 -9.934 7.099 -1.811 730 H ARG 78 H ARG 78 -5.791 6.835 0.407 731 HA ARG 78 HA ARG 78 -6.899 7.166 2.894 732 1HB ARG 78 1HB ARG 78 -4.284 5.951 1.921 733 2HB ARG 78 2HB ARG 78 -4.669 5.966 3.631 734 1HG ARG 78 1HG ARG 78 -6.390 4.729 1.430 735 2HG ARG 78 2HG ARG 78 -5.397 3.842 2.569 736 1HD ARG 78 1HD ARG 78 -7.313 3.731 3.823 737 2HD ARG 78 2HD ARG 78 -6.897 5.362 4.308 738 HE ARG 78 HE ARG 78 -8.283 5.874 2.032 739 1HH1 ARG 78 1HH1 ARG 78 -9.037 3.689 4.717 740 2HH1 ARG 78 2HH1 ARG 78 -10.752 3.831 4.514 741 2HH2 ARG 78 HH2 ARG 78 -11.615 5.231 2.771 742 QB ARG 78 QB ARG 78 -4.476 5.958 2.776 743 QG ARG 78 QG ARG 78 -5.893 4.286 1.999 744 QD ARG 78 QD ARG 78 -7.105 4.547 4.066 745 QH1 ARG 78 QH1 ARG 78 -9.895 3.760 4.615 746 H LEU 79 H LEU 79 -4.108 8.733 1.297 747 HA LEU 79 HA LEU 79 -2.810 9.783 3.480 748 1HB LEU 79 1HB LEU 79 -2.446 9.843 0.832 749 2HB LEU 79 2HB LEU 79 -3.095 11.457 1.041 750 HG LEU 79 HG LEU 79 -0.591 10.295 2.275 751 1HD1 LEU 79 1HD1 LEU 79 -0.581 11.171 -0.102 752 2HD1 LEU 79 2HD1 LEU 79 -0.899 12.782 0.586 753 3HD1 LEU 79 3HD1 LEU 79 0.592 11.908 1.016 754 1HD2 LEU 79 1HD2 LEU 79 -1.884 11.632 3.946 755 2HD2 LEU 79 2HD2 LEU 79 -0.280 12.296 3.549 756 3HD2 LEU 79 3HD2 LEU 79 -1.745 13.033 2.856 757 MD1 LEU 79 MD1 LEU 79 -0.296 11.954 0.500 758 MD2 LEU 79 MD2 LEU 79 -1.303 12.320 3.451 759 QB LEU 79 QB LEU 79 -2.770 10.650 0.937 760 QD LEU 79 QD LEU 79 -0.800 12.137 1.975 761 H VAL 80 H VAL 80 -5.802 10.863 1.824 762 HA VAL 80 HA VAL 80 -6.001 13.341 3.095 763 HB VAL 80 HB VAL 80 -8.032 11.446 1.914 764 1HG1 VAL 80 1HG1 VAL 80 -8.976 13.031 3.683 765 2HG1 VAL 80 2HG1 VAL 80 -8.550 14.354 2.571 766 3HG1 VAL 80 3HG1 VAL 80 -9.712 13.105 2.065 767 1HG2 VAL 80 1HG2 VAL 80 -6.095 13.081 0.734 768 2HG2 VAL 80 2HG2 VAL 80 -7.500 12.336 -0.066 769 3HG2 VAL 80 3HG2 VAL 80 -7.614 13.994 0.571 770 MG1 VAL 80 MG1 VAL 80 -9.079 13.497 2.773 771 MG2 VAL 80 MG2 VAL 80 -7.069 13.137 0.413 772 QG VAL 80 QG VAL 80 -8.074 13.317 1.593 773 H ALA 81 H ALA 81 -6.949 10.017 4.059 774 HA ALA 81 HA ALA 81 -8.449 10.807 6.308 775 1HB ALA 81 3HB ALA 81 -8.791 8.631 5.387 776 2HB ALA 81 1HB ALA 81 -7.055 8.243 5.468 777 3HB ALA 81 2HB ALA 81 -8.009 8.373 6.965 778 MB ALA 81 MB ALA 81 -7.952 8.416 5.940 779 H CYS 82 H CYS 82 -5.123 11.066 5.586 780 HA CYS 82 HA CYS 82 -4.120 10.495 8.178 781 1HB CYS 82 1HB CYS 82 -2.919 10.596 5.811 782 2HB CYS 82 2HB CYS 82 -2.648 12.268 6.259 783 HG CYS 82 HG CYS 82 -1.894 9.784 7.998 784 QB CYS 82 QB CYS 82 -2.783 11.432 6.035 785 H ALA 83 H ALA 83 -4.309 13.597 6.267 786 HA ALA 83 HA ALA 83 -3.933 15.253 8.470 787 1HB ALA 83 2HB ALA 83 -5.491 15.943 5.956 788 2HB ALA 83 3HB ALA 83 -4.494 17.019 6.965 789 3HB ALA 83 1HB ALA 83 -3.720 15.762 5.970 790 MB ALA 83 MB ALA 83 -4.568 16.241 6.297 791 H GLN 84 H GLN 84 -6.664 13.345 7.464 792 HA GLN 84 HA GLN 84 -8.706 14.952 8.425 793 1HB GLN 84 1HB GLN 84 -8.387 11.991 7.911 794 2HB GLN 84 2HB GLN 84 -9.836 12.565 8.712 795 1HG GLN 84 1HG GLN 84 -9.195 14.243 6.393 796 2HG GLN 84 2HG GLN 84 -9.320 12.558 5.926 797 2HE2 GLN 84 1HE2 GLN 84 -11.124 14.114 4.870 798 1HE2 GLN 84 2HE2 GLN 84 -12.690 13.954 5.592 799 QB GLN 84 QB GLN 84 -9.111 12.278 8.312 800 QG GLN 84 QG GLN 84 -9.257 13.401 6.159 801 QE GLN 84 QE GLN 84 -11.907 14.034 5.231 802 H ASN 85 H ASN 85 -6.313 12.918 10.038 803 HA ASN 85 HA ASN 85 -7.827 13.073 12.500 804 1HB ASN 85 1HB ASN 85 -6.626 10.919 11.644 805 2HB ASN 85 2HB ASN 85 -5.124 11.714 12.071 806 2HD2 ASN 85 1HD2 ASN 85 -4.365 11.018 13.906 807 1HD2 ASN 85 2HD2 ASN 85 -5.253 10.652 15.347 808 QB ASN 85 QB ASN 85 -5.875 11.317 11.858 809 QD ASN 85 QD ASN 85 -4.809 10.835 14.626 810 H GLY 86 H GLY 86 -5.402 14.701 10.687 811 1HA GLY 86 1HA GLY 86 -4.549 16.773 11.431 812 2HA GLY 86 2HA GLY 86 -4.532 16.180 13.080 813 QA GLY 86 QA GLY 86 -4.541 16.476 12.255 814 H LEU 87 H LEU 87 -3.508 13.711 10.931 815 HA LEU 87 HA LEU 87 -0.825 13.935 11.908 816 1HB LEU 87 1HB LEU 87 -2.097 11.975 9.992 817 2HB LEU 87 2HB LEU 87 -0.492 11.833 10.680 818 HG LEU 87 HG LEU 87 -2.851 12.054 12.522 819 1HD1 LEU 87 1HD1 LEU 87 -3.418 10.347 10.782 820 2HD1 LEU 87 2HD1 LEU 87 -1.975 9.434 11.284 821 3HD1 LEU 87 3HD1 LEU 87 -3.301 9.708 12.439 822 1HD2 LEU 87 1HD2 LEU 87 -0.143 11.830 12.932 823 2HD2 LEU 87 2HD2 LEU 87 -1.412 11.430 14.114 824 3HD2 LEU 87 3HD2 LEU 87 -0.700 10.148 13.104 825 MD1 LEU 87 MD1 LEU 87 -2.898 9.830 11.501 826 MD2 LEU 87 MD2 LEU 87 -0.752 11.136 13.383 827 QB LEU 87 QB LEU 87 -1.294 11.904 10.336 828 QD LEU 87 QD LEU 87 -1.825 10.483 12.442 829 H GLU 88 H GLU 88 1.005 13.487 10.162 830 HA GLU 88 HA GLU 88 1.331 15.776 8.767 831 1HB GLU 88 1HB GLU 88 2.883 13.614 9.286 832 2HB GLU 88 2HB GLU 88 2.551 13.299 7.595 833 1HG GLU 88 1HG GLU 88 3.917 14.987 6.904 834 2HG GLU 88 2HG GLU 88 3.212 16.128 8.033 835 HE2 GLU 88 HE2 GLU 88 5.348 14.812 10.645 836 QB GLU 88 QB GLU 88 2.717 13.456 8.440 837 QG GLU 88 QG GLU 88 3.564 15.557 7.468 838 H VAL 89 H VAL 89 1.719 15.854 6.223 839 HA VAL 89 HA VAL 89 -0.703 14.724 5.002 840 HB VAL 89 HB VAL 89 0.795 17.162 4.065 841 1HG1 VAL 89 1HG1 VAL 89 -1.202 15.708 2.882 842 2HG1 VAL 89 2HG1 VAL 89 -2.131 16.958 3.743 843 3HG1 VAL 89 3HG1 VAL 89 -0.874 17.430 2.574 844 1HG2 VAL 89 1HG2 VAL 89 -0.896 16.873 6.453 845 2HG2 VAL 89 2HG2 VAL 89 0.220 18.178 5.986 846 3HG2 VAL 89 3HG2 VAL 89 -1.438 18.152 5.340 847 MG1 VAL 89 MG1 VAL 89 -1.402 16.699 3.066 848 MG2 VAL 89 MG2 VAL 89 -0.705 17.735 5.926 849 QG VAL 89 QG VAL 89 -1.053 17.217 4.496 850 H SER 90 H SER 90 2.741 14.684 5.129 851 HA SER 90 HA SER 90 2.939 13.807 2.384 852 1HB SER 90 1HB SER 90 4.927 14.569 4.534 853 2HB SER 90 2HB SER 90 5.465 13.612 3.168 854 HG SER 90 HG SER 90 4.691 16.318 3.281 855 QB SER 90 QB SER 90 5.196 14.090 3.851 856 H LEU 91 H LEU 91 3.892 11.696 1.837 857 HA LEU 91 HA LEU 91 2.849 9.605 3.335 858 1HB LEU 91 1HB LEU 91 4.624 9.936 0.999 859 2HB LEU 91 2HB LEU 91 4.789 8.417 1.856 860 HG LEU 91 HG LEU 91 2.099 9.445 0.946 861 1HD1 LEU 91 1HD1 LEU 91 4.167 8.895 -0.803 862 2HD1 LEU 91 2HD1 LEU 91 3.268 7.360 -0.733 863 3HD1 LEU 91 3HD1 LEU 91 2.427 8.864 -1.181 864 1HD2 LEU 91 1HD2 LEU 91 2.956 7.210 2.479 865 2HD2 LEU 91 2HD2 LEU 91 1.314 7.622 1.930 866 3HD2 LEU 91 3HD2 LEU 91 2.361 6.602 0.915 867 MD1 LEU 91 MD1 LEU 91 3.287 8.373 -0.906 868 MD2 LEU 91 MD2 LEU 91 2.210 7.145 1.775 869 QB LEU 91 QB LEU 91 4.707 9.177 1.427 870 QD LEU 91 QD LEU 91 2.749 7.759 0.435 871 H SER 92 H SER 92 5.773 11.492 3.718 872 HA SER 92 HA SER 92 7.442 9.703 4.888 873 1HB SER 92 1HB SER 92 6.956 12.648 5.487 874 2HB SER 92 2HB SER 92 8.270 11.750 6.221 875 HG SER 92 HG SER 92 9.246 12.533 4.424 876 QB SER 92 QB SER 92 7.613 12.199 5.854 877 H SER 93 H SER 93 4.357 10.881 6.009 878 HA SER 93 HA SER 93 4.910 9.649 8.594 879 1HB SER 93 1HB SER 93 4.208 12.331 8.133 880 2HB SER 93 2HB SER 93 2.696 11.586 8.609 881 HG SER 93 HG SER 93 3.492 11.955 10.585 882 QB SER 93 QB SER 93 3.452 11.959 8.371 883 H LEU 94 H LEU 94 3.984 8.292 6.208 884 HA LEU 94 HA LEU 94 1.167 7.827 6.898 885 1HB LEU 94 1HB LEU 94 2.657 7.897 4.328 886 2HB LEU 94 2HB LEU 94 1.391 6.696 4.485 887 HG LEU 94 HG LEU 94 0.592 8.746 3.410 888 1HD1 LEU 94 1HD1 LEU 94 -0.972 7.358 4.696 889 2HD1 LEU 94 2HD1 LEU 94 -0.639 8.332 6.149 890 3HD1 LEU 94 3HD1 LEU 94 -1.422 9.080 4.736 891 1HD2 LEU 94 1HD2 LEU 94 2.073 10.030 5.494 892 2HD2 LEU 94 2HD2 LEU 94 1.276 10.746 4.073 893 3HD2 LEU 94 3HD2 LEU 94 0.372 10.544 5.593 894 MD1 LEU 94 MD1 LEU 94 -1.011 8.257 5.194 895 MD2 LEU 94 MD2 LEU 94 1.240 10.440 5.053 896 QB LEU 94 QB LEU 94 2.024 7.297 4.407 897 QD LEU 94 QD LEU 94 0.115 9.348 5.123 898 H SER 95 H SER 95 0.651 5.371 5.980 899 HA SER 95 HA SER 95 0.970 3.226 6.213 900 1HB SER 95 2HB SER 95 3.444 3.876 5.504 901 2HB SER 95 1HB SER 95 3.079 2.262 6.081 902 HG SER 95 HG SER 95 4.860 2.893 7.264 903 QB SER 95 QB SER 95 3.261 3.069 5.792 904 H LEU 96 H LEU 96 0.032 4.995 8.331 905 HA LEU 96 HA LEU 96 0.909 3.454 10.675 906 1HB LEU 96 1HB LEU 96 -0.317 6.116 11.067 907 2HB LEU 96 2HB LEU 96 0.942 5.301 11.973 908 HG LEU 96 HG LEU 96 1.482 6.389 9.214 909 1HD1 LEU 96 1HD1 LEU 96 1.538 7.923 11.824 910 2HD1 LEU 96 2HD1 LEU 96 2.348 8.454 10.330 911 3HD1 LEU 96 3HD1 LEU 96 0.577 8.279 10.368 912 1HD2 LEU 96 1HD2 LEU 96 3.048 5.199 11.396 913 2HD2 LEU 96 2HD2 LEU 96 3.398 5.321 9.655 914 3HD2 LEU 96 3HD2 LEU 96 3.744 6.696 10.730 915 MD1 LEU 96 MD1 LEU 96 1.488 8.219 10.841 916 MD2 LEU 96 MD2 LEU 96 3.397 5.738 10.594 917 QB LEU 96 QB LEU 96 0.312 5.709 11.520 918 QD LEU 96 QD LEU 96 2.442 6.979 10.717 919 H ALA 97 H ALA 97 -1.200 4.425 12.382 920 HA ALA 97 HA ALA 97 -3.427 2.975 11.144 921 1HB ALA 97 2HB ALA 97 -3.616 3.509 14.015 922 2HB ALA 97 3HB ALA 97 -3.672 1.959 13.141 923 3HB ALA 97 1HB ALA 97 -2.104 2.670 13.592 924 MB ALA 97 MB ALA 97 -3.131 2.713 13.583 925 H VAL 98 H VAL 98 -3.890 5.012 9.890 926 HA VAL 98 HA VAL 98 -4.827 7.240 11.467 927 HB VAL 98 HB VAL 98 -5.184 8.299 9.326 928 1HG1 VAL 98 1HG1 VAL 98 -2.636 7.108 10.127 929 2HG1 VAL 98 2HG1 VAL 98 -2.700 7.480 8.388 930 3HG1 VAL 98 3HG1 VAL 98 -3.007 8.762 9.584 931 1HG2 VAL 98 1HG2 VAL 98 -5.496 5.647 8.373 932 2HG2 VAL 98 2HG2 VAL 98 -5.659 7.169 7.464 933 3HG2 VAL 98 3HG2 VAL 98 -4.088 6.335 7.529 934 MG1 VAL 98 MG1 VAL 98 -2.781 7.783 9.366 935 MG2 VAL 98 MG2 VAL 98 -5.081 6.384 7.788 936 QG VAL 98 QG VAL 98 -3.931 7.083 8.577 937 HA PRO 99 HA PRO 99 -8.989 6.084 11.463 938 1HB PRO 99 1HB PRO 99 -10.276 8.494 11.481 939 2HB PRO 99 2HB PRO 99 -9.554 7.783 12.911 940 1HG PRO 99 2HG PRO 99 -8.113 9.583 12.892 941 2HG PRO 99 1HG PRO 99 -8.570 10.028 11.259 942 1HD PRO 99 1HD PRO 99 -6.602 9.115 10.500 943 2HD PRO 99 2HD PRO 99 -6.202 8.569 12.116 944 QB PRO 99 QB PRO 99 -9.915 8.138 12.196 945 QG PRO 99 QG PRO 99 -8.341 9.806 12.076 946 QD PRO 99 QD PRO 99 -6.402 8.842 11.308 947 HA PRO 100 HA PRO 100 -10.858 6.056 7.649 948 1HB PRO 100 1HB PRO 100 -13.548 6.133 8.123 949 2HB PRO 100 2HB PRO 100 -12.585 4.680 8.304 950 1HG PRO 100 2HG PRO 100 -13.110 4.795 10.546 951 2HG PRO 100 1HG PRO 100 -13.695 6.441 10.403 952 1HD PRO 100 1HD PRO 100 -11.740 7.179 11.361 953 2HD PRO 100 2HD PRO 100 -11.110 5.544 11.397 954 QB PRO 100 QB PRO 100 -13.067 5.407 8.213 955 QG PRO 100 QG PRO 100 -13.403 5.618 10.475 956 QD PRO 100 QD PRO 100 -11.425 6.362 11.379 957 HA PRO 101 HA PRO 101 -11.483 10.021 6.253 958 1HB PRO 101 1HB PRO 101 -11.996 9.546 3.611 959 2HB PRO 101 2HB PRO 101 -10.376 9.606 4.276 960 1HG PRO 101 2HG PRO 101 -10.226 7.376 3.706 961 2HG PRO 101 1HG PRO 101 -11.955 7.247 3.448 962 1HD PRO 101 1HD PRO 101 -12.140 6.177 5.474 963 2HD PRO 101 2HD PRO 101 -10.431 6.410 5.782 964 QB PRO 101 QB PRO 101 -11.186 9.576 3.944 965 QG PRO 101 QG PRO 101 -11.090 7.312 3.577 966 QD PRO 101 QD PRO 101 -11.286 6.293 5.628 967 H ARG 102 H ARG 102 -13.153 10.997 4.267 968 HA ARG 102 HA ARG 102 -15.637 10.614 5.700 969 1HB ARG 102 1HB ARG 102 -14.374 12.924 4.930 970 2HB ARG 102 2HB ARG 102 -15.417 12.689 3.541 971 1HG ARG 102 1HG ARG 102 -17.051 12.167 5.817 972 2HG ARG 102 2HG ARG 102 -16.115 13.590 6.229 973 1HD ARG 102 1HD ARG 102 -16.835 14.200 3.637 974 2HD ARG 102 2HD ARG 102 -18.217 13.244 4.134 975 HE ARG 102 HE ARG 102 -17.600 15.109 6.221 976 1HH1 ARG 102 1HH1 ARG 102 -18.916 15.058 2.931 977 2HH1 ARG 102 2HH1 ARG 102 -19.864 16.490 3.155 978 2HH2 ARG 102 HH2 ARG 102 -19.810 17.615 5.271 979 QB ARG 102 QB ARG 102 -14.895 12.807 4.235 980 QG ARG 102 QG ARG 102 -16.583 12.879 6.023 981 QD ARG 102 QD ARG 102 -17.526 13.722 3.885 982 QH1 ARG 102 QH1 ARG 102 -19.390 15.774 3.043 983 H PHE 103 H PHE 103 -14.043 10.207 2.548 984 HA PHE 103 HA PHE 103 -15.993 10.085 0.746 985 1HB PHE 103 1HB PHE 103 -14.002 7.795 1.205 986 2HB PHE 103 2HB PHE 103 -14.575 8.385 -0.342 987 HD1 PHE 103 HD1 PHE 103 -14.059 10.996 -0.727 988 HD2 PHE 103 HD2 PHE 103 -11.881 8.418 1.846 989 HE1 PHE 103 HE1 PHE 103 -12.071 12.520 -0.882 990 HE2 PHE 103 HE2 PHE 103 -9.893 9.942 1.690 991 HZ PHE 103 HZ PHE 103 -10.012 11.975 0.328 992 QB PHE 103 QB PHE 103 -14.288 8.090 0.432 993 QD PHE 103 QD PHE 103 -12.970 9.707 0.560 994 QE PHE 103 QE PHE 103 -10.982 11.231 0.404 995 QR PHE 103 QR PHE 103 -11.976 10.469 0.482 996 H HIS 104 H HIS 104 -17.230 8.220 -0.233 997 HA HIS 104 HA HIS 104 -18.774 7.002 1.819 998 1HB HIS 104 1HB HIS 104 -18.898 7.326 -1.117 999 2HB HIS 104 2HB HIS 104 -19.622 5.850 -0.511 1000 HD1 HIS 104 HD1 HIS 104 -22.079 6.417 -0.743 1001 HD2 HIS 104 HD2 HIS 104 -19.921 9.367 1.314 1002 HE1 HIS 104 HE1 HIS 104 -23.805 8.063 0.163 1003 QB HIS 104 QB HIS 104 -19.260 6.588 -0.814 1004 H ASP 105 H ASP 105 -19.365 4.521 1.464 1005 HA ASP 105 HA ASP 105 -17.325 2.894 0.465 1006 1HB ASP 105 1HB ASP 105 -16.847 3.910 3.078 1007 2HB ASP 105 2HB ASP 105 -17.412 2.270 3.327 1008 HD2 ASP 105 HD2 ASP 105 -15.768 0.968 3.484 1009 QB ASP 105 QB ASP 105 -17.130 3.090 3.202 No H/Q in entry = 1009 Start of MODEL 14 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.510 0.992 -1.364 3 1HB LEU 7 1HB LEU 7 2.917 -1.846 -0.566 4 2HB LEU 7 2HB LEU 7 3.418 -1.379 -2.179 5 HG LEU 7 HG LEU 7 4.314 0.248 0.185 6 1HD1 LEU 7 1HD1 LEU 7 4.787 -2.085 0.783 7 2HD1 LEU 7 2HD1 LEU 7 5.653 -2.303 -0.757 8 3HD1 LEU 7 3HD1 LEU 7 6.277 -1.165 0.462 9 1HD2 LEU 7 1HD2 LEU 7 5.032 -0.045 -2.668 10 2HD2 LEU 7 2HD2 LEU 7 5.122 1.370 -1.591 11 3HD2 LEU 7 3HD2 LEU 7 6.398 0.130 -1.541 12 MD1 LEU 7 MD1 LEU 7 5.573 -1.851 0.163 13 MD2 LEU 7 MD2 LEU 7 5.517 0.485 -1.933 14 QB LEU 7 QB LEU 7 3.167 -1.612 -1.373 15 QD LEU 7 QD LEU 7 5.545 -0.683 -0.885 16 H SER 8 H SER 8 2.688 -0.408 -3.730 17 HA SER 8 HA SER 8 0.460 0.281 -5.036 18 1HB SER 8 1HB SER 8 1.179 -1.613 -6.705 19 2HB SER 8 2HB SER 8 2.277 -0.281 -6.400 20 HG SER 8 HG SER 8 2.753 -2.179 -4.516 21 QB SER 8 QB SER 8 1.728 -0.947 -6.553 22 H LEU 9 H LEU 9 -1.150 -1.261 -6.242 23 HA LEU 9 HA LEU 9 -2.856 -2.398 -4.465 24 1HB LEU 9 1HB LEU 9 -2.580 -3.497 -7.241 25 2HB LEU 9 2HB LEU 9 -4.029 -3.231 -6.292 26 HG LEU 9 HG LEU 9 -2.337 -1.183 -7.728 27 1HD1 LEU 9 1HD1 LEU 9 -5.027 -2.394 -8.094 28 2HD1 LEU 9 2HD1 LEU 9 -4.861 -0.659 -8.457 29 3HD1 LEU 9 3HD1 LEU 9 -3.833 -1.846 -9.295 30 1HD2 LEU 9 1HD2 LEU 9 -3.328 -0.682 -5.246 31 2HD2 LEU 9 2HD2 LEU 9 -3.103 0.546 -6.514 32 3HD2 LEU 9 3HD2 LEU 9 -4.702 -0.195 -6.267 33 MD1 LEU 9 MD1 LEU 9 -4.574 -1.633 -8.615 34 MD2 LEU 9 MD2 LEU 9 -3.711 -0.111 -6.009 35 QB LEU 9 QB LEU 9 -3.304 -3.364 -6.767 36 QD LEU 9 QD LEU 9 -4.142 -0.872 -7.312 37 H THR 10 H THR 10 -0.051 -3.904 -6.131 38 HA THR 10 HA THR 10 -0.487 -6.541 -5.557 39 HB THR 10 HB THR 10 1.974 -6.716 -5.753 40 HG1 THR 10 HG1 THR 10 1.772 -3.803 -5.445 41 1HG2 THR 10 1HG2 THR 10 0.361 -5.148 -7.585 42 2HG2 THR 10 2HG2 THR 10 1.974 -4.406 -7.470 43 3HG2 THR 10 3HG2 THR 10 1.812 -6.112 -7.949 44 MG THR 10 MG THR 10 1.382 -5.222 -7.668 45 H GLN 11 H GLN 11 1.201 -4.157 -3.403 46 HA GLN 11 HA GLN 11 1.271 -6.074 -1.321 47 1HB GLN 11 1HB GLN 11 2.464 -3.526 -1.898 48 2HB GLN 11 2HB GLN 11 1.669 -3.385 -0.343 49 1HG GLN 11 1HG GLN 11 2.998 -5.945 -0.414 50 2HG GLN 11 2HG GLN 11 4.140 -4.739 -0.974 51 2HE2 GLN 11 1HE2 GLN 11 4.329 -6.198 1.426 52 1HE2 GLN 11 2HE2 GLN 11 4.248 -5.107 2.769 53 QB GLN 11 QB GLN 11 2.066 -3.456 -1.121 54 QG GLN 11 QG GLN 11 3.569 -5.342 -0.694 55 QE GLN 11 QE GLN 11 4.289 -5.652 2.097 56 H LEU 12 H LEU 12 -0.884 -3.438 -2.349 57 HA LEU 12 HA LEU 12 -2.229 -2.888 -0.041 58 1HB LEU 12 1HB LEU 12 -2.432 -1.932 -2.418 59 2HB LEU 12 2HB LEU 12 -3.603 -3.205 -2.698 60 HG LEU 12 HG LEU 12 -4.966 -1.448 -2.124 61 1HD1 LEU 12 1HD1 LEU 12 -5.333 -3.427 -0.629 62 2HD1 LEU 12 2HD1 LEU 12 -4.413 -2.570 0.632 63 3HD1 LEU 12 3HD1 LEU 12 -5.933 -1.879 0.015 64 1HD2 LEU 12 1HD2 LEU 12 -2.711 -0.201 -1.264 65 2HD2 LEU 12 2HD2 LEU 12 -4.360 0.440 -1.068 66 3HD2 LEU 12 3HD2 LEU 12 -3.578 -0.430 0.273 67 MD1 LEU 12 MD1 LEU 12 -5.226 -2.625 0.006 68 MD2 LEU 12 MD2 LEU 12 -3.549 -0.063 -0.686 69 QB LEU 12 QB LEU 12 -3.018 -2.568 -2.558 70 QD LEU 12 QD LEU 12 -4.388 -1.344 -0.340 71 H SER 13 H SER 13 -2.629 -5.690 -2.270 72 HA SER 13 HA SER 13 -3.531 -7.285 -0.162 73 1HB SER 13 1HB SER 13 -5.587 -5.895 -1.783 74 2HB SER 13 2HB SER 13 -5.812 -7.631 -1.709 75 HG SER 13 HG SER 13 -5.869 -5.702 0.401 76 QB SER 13 QB SER 13 -5.700 -6.763 -1.746 77 H SER 14 H SER 14 -1.433 -7.826 -1.650 78 HA SER 14 HA SER 14 -0.479 -9.202 -3.031 79 1HB SER 14 1HB SER 14 -2.807 -10.608 -2.058 80 2HB SER 14 2HB SER 14 -2.541 -11.082 -3.724 81 HG SER 14 HG SER 14 -0.265 -10.977 -2.007 82 QB SER 14 QB SER 14 -2.674 -10.845 -2.891 83 H GLY 15 H GLY 15 -2.414 -6.953 -4.017 84 1HA GLY 15 1HA GLY 15 -2.782 -6.030 -6.047 85 2HA GLY 15 2HA GLY 15 -1.982 -7.393 -6.806 86 QA GLY 15 QA GLY 15 -2.382 -6.712 -6.426 87 H ASN 16 H ASN 16 -4.779 -7.602 -4.547 88 HA ASN 16 HA ASN 16 -6.141 -9.373 -6.121 89 1HB ASN 16 1HB ASN 16 -6.480 -8.373 -3.604 90 2HB ASN 16 2HB ASN 16 -7.737 -7.463 -4.418 91 2HD2 ASN 16 1HD2 ASN 16 -8.297 -9.285 -2.445 92 1HD2 ASN 16 2HD2 ASN 16 -9.150 -10.647 -3.091 93 QB ASN 16 QB ASN 16 -7.109 -7.918 -4.011 94 QD ASN 16 QD ASN 16 -8.723 -9.966 -2.768 95 HA PRO 17 HA PRO 17 -7.545 -6.364 -9.090 96 1HB PRO 17 1HB PRO 17 -8.370 -8.136 -11.000 97 2HB PRO 17 2HB PRO 17 -6.723 -7.549 -10.885 98 1HG PRO 17 2HG PRO 17 -6.142 -9.731 -10.413 99 2HG PRO 17 1HG PRO 17 -7.807 -10.191 -10.121 100 1HD PRO 17 1HD PRO 17 -7.386 -10.143 -7.862 101 2HD PRO 17 2HD PRO 17 -5.755 -9.571 -8.153 102 QB PRO 17 QB PRO 17 -7.546 -7.842 -10.942 103 QG PRO 17 QG PRO 17 -6.975 -9.961 -10.267 104 QD PRO 17 QD PRO 17 -6.570 -9.857 -8.007 105 H VAL 18 H VAL 18 -9.292 -8.808 -7.500 106 HA VAL 18 HA VAL 18 -11.791 -8.590 -8.494 107 HB VAL 18 HB VAL 18 -11.207 -10.093 -6.725 108 1HG1 VAL 18 1HG1 VAL 18 -9.676 -8.289 -5.611 109 2HG1 VAL 18 2HG1 VAL 18 -11.141 -7.877 -4.688 110 3HG1 VAL 18 3HG1 VAL 18 -10.466 -9.522 -4.599 111 1HG2 VAL 18 1HG2 VAL 18 -13.412 -8.124 -6.179 112 2HG2 VAL 18 2HG2 VAL 18 -13.507 -9.827 -6.688 113 3HG2 VAL 18 3HG2 VAL 18 -13.078 -9.423 -5.009 114 MG1 VAL 18 MG1 VAL 18 -10.428 -8.563 -4.966 115 MG2 VAL 18 MG2 VAL 18 -13.332 -9.124 -5.958 116 QG VAL 18 QG VAL 18 -11.880 -8.843 -5.462 117 H TYR 19 H TYR 19 -10.070 -6.252 -6.364 118 HA TYR 19 HA TYR 19 -12.300 -4.575 -5.968 119 1HB TYR 19 1HB TYR 19 -9.519 -4.860 -5.275 120 2HB TYR 19 2HB TYR 19 -9.634 -3.293 -6.050 121 HD1 TYR 19 HD1 TYR 19 -12.310 -4.862 -3.996 122 HD2 TYR 19 HD2 TYR 19 -9.226 -1.901 -4.163 123 HE1 TYR 19 HE1 TYR 19 -13.158 -3.846 -1.825 124 HE2 TYR 19 HE2 TYR 19 -10.084 -0.895 -1.991 125 HH TYR 19 HH TYR 19 -11.405 -1.209 -0.264 126 QB TYR 19 QB TYR 19 -9.576 -4.077 -5.662 127 QD TYR 19 QD TYR 19 -10.768 -3.381 -4.079 128 QE TYR 19 QE TYR 19 -11.621 -2.371 -1.908 129 QR TYR 19 QR TYR 19 -11.194 -2.876 -2.994 130 H GLU 20 H GLU 20 -9.692 -4.712 -8.444 131 HA GLU 20 HA GLU 20 -10.027 -2.275 -9.572 132 1HB GLU 20 1HB GLU 20 -8.827 -4.799 -10.284 133 2HB GLU 20 2HB GLU 20 -9.656 -4.177 -11.697 134 1HG GLU 20 1HG GLU 20 -8.135 -2.103 -10.215 135 2HG GLU 20 2HG GLU 20 -7.126 -3.392 -10.840 136 HE2 GLU 20 HE2 GLU 20 -6.652 -1.311 -12.929 137 QB GLU 20 QB GLU 20 -9.242 -4.488 -10.991 138 QG GLU 20 QG GLU 20 -7.631 -2.747 -10.527 139 H LYS 21 H LYS 21 -12.038 -5.220 -9.932 140 HA LYS 21 HA LYS 21 -13.517 -4.524 -12.133 141 1HB LYS 21 1HB LYS 21 -14.397 -6.500 -11.633 142 2HB LYS 21 2HB LYS 21 -13.588 -6.479 -10.079 143 1HG LYS 21 2HG LYS 21 -15.539 -5.015 -9.227 144 2HG LYS 21 1HG LYS 21 -15.901 -6.700 -9.543 145 1HD LYS 21 1HD LYS 21 -16.908 -4.274 -10.906 146 2HD LYS 21 2HD LYS 21 -16.356 -5.501 -12.029 147 1HE LYS 21 1HE LYS 21 -17.860 -6.826 -9.950 148 2HE LYS 21 2HE LYS 21 -18.801 -5.452 -10.495 149 QB LYS 21 QB LYS 21 -13.993 -6.489 -10.856 150 QD LYS 21 QD LYS 21 -16.632 -4.887 -11.468 151 QG LYS 21 QG LYS 21 -15.720 -5.857 -9.385 152 QE LYS 21 QE LYS 21 -18.331 -6.139 -10.223 153 QZ LYS 21 QZ LYS 21 -18.601 -7.433 -12.051 154 H TYR 22 H TYR 22 -13.815 -3.432 -8.724 155 HA TYR 22 HA TYR 22 -16.230 -1.998 -9.208 156 1HB TYR 22 2HB TYR 22 -15.734 -1.223 -6.887 157 2HB TYR 22 1HB TYR 22 -14.045 -1.652 -7.067 158 HD1 TYR 22 HD1 TYR 22 -17.051 -3.674 -7.995 159 HD2 TYR 22 HD2 TYR 22 -13.693 -3.246 -5.379 160 HE1 TYR 22 HE1 TYR 22 -17.523 -5.967 -7.003 161 HE2 TYR 22 HE2 TYR 22 -14.176 -5.540 -4.395 162 HH TYR 22 HH TYR 22 -15.430 -7.292 -4.451 163 QB TYR 22 QB TYR 22 -14.889 -1.437 -6.977 164 QD TYR 22 QD TYR 22 -15.372 -3.460 -6.687 165 QE TYR 22 QE TYR 22 -15.850 -5.753 -5.699 166 QR TYR 22 QR TYR 22 -15.611 -4.607 -6.193 167 H TYR 23 H TYR 23 -12.719 -1.162 -9.005 168 HA TYR 23 HA TYR 23 -12.954 1.581 -9.089 169 1HB TYR 23 1HB TYR 23 -10.799 0.544 -8.739 170 2HB TYR 23 2HB TYR 23 -11.022 -0.566 -10.076 171 HD1 TYR 23 HD1 TYR 23 -10.960 0.411 -12.468 172 HD2 TYR 23 HD2 TYR 23 -9.565 2.531 -9.024 173 HE1 TYR 23 HE1 TYR 23 -9.580 1.939 -13.959 174 HE2 TYR 23 HE2 TYR 23 -8.190 4.052 -10.527 175 HH TYR 23 HH TYR 23 -8.679 4.581 -13.485 176 QB TYR 23 QB TYR 23 -10.910 -0.011 -9.407 177 QD TYR 23 QD TYR 23 -10.263 1.471 -10.746 178 QE TYR 23 QE TYR 23 -8.885 2.995 -12.243 179 QR TYR 23 QR TYR 23 -9.574 2.233 -11.495 180 H ARG 24 H ARG 24 -13.246 -0.839 -11.709 181 HA ARG 24 HA ARG 24 -13.143 1.159 -13.717 182 1HB ARG 24 1HB ARG 24 -12.538 -1.394 -13.880 183 2HB ARG 24 2HB ARG 24 -14.261 -1.652 -14.073 184 1HG ARG 24 1HG ARG 24 -12.809 0.377 -15.806 185 2HG ARG 24 2HG ARG 24 -12.773 -1.326 -16.218 186 1HD ARG 24 1HD ARG 24 -15.481 -0.923 -15.708 187 2HD ARG 24 2HD ARG 24 -15.016 0.614 -16.410 188 HE ARG 24 HE ARG 24 -14.033 -1.744 -17.878 189 1HH1 ARG 24 1HH1 ARG 24 -16.630 0.646 -17.568 190 2HH1 ARG 24 2HH1 ARG 24 -17.206 0.412 -19.185 191 2HH2 ARG 24 HH2 ARG 24 -16.111 -1.180 -20.603 192 QB ARG 24 QB ARG 24 -13.400 -1.523 -13.976 193 QG ARG 24 QG ARG 24 -12.791 -0.474 -16.012 194 QD ARG 24 QD ARG 24 -15.248 -0.154 -16.059 195 QH1 ARG 24 QH1 ARG 24 -16.918 0.529 -18.377 196 H GLN 25 H GLN 25 -15.580 -0.362 -11.670 197 HA GLN 25 HA GLN 25 -17.791 0.029 -13.300 198 1HB GLN 25 1HB GLN 25 -17.256 -0.604 -10.455 199 2HB GLN 25 2HB GLN 25 -18.771 0.239 -10.709 200 1HG GLN 25 1HG GLN 25 -18.564 -1.738 -12.782 201 2HG GLN 25 2HG GLN 25 -18.123 -2.529 -11.281 202 2HE2 GLN 25 1HE2 GLN 25 -20.369 0.131 -12.022 203 1HE2 GLN 25 2HE2 GLN 25 -21.798 -0.596 -11.366 204 QB GLN 25 QB GLN 25 -18.014 -0.182 -10.582 205 QG GLN 25 QG GLN 25 -18.344 -2.134 -12.031 206 QE GLN 25 QE GLN 25 -21.083 -0.232 -11.694 207 H VAL 26 H VAL 26 -16.051 2.156 -10.998 208 HA VAL 26 HA VAL 26 -18.047 4.206 -11.143 209 HB VAL 26 HB VAL 26 -16.821 5.268 -9.545 210 1HG1 VAL 26 1HG1 VAL 26 -17.269 2.756 -9.008 211 2HG1 VAL 26 2HG1 VAL 26 -15.500 2.595 -9.117 212 3HG1 VAL 26 3HG1 VAL 26 -16.220 3.705 -7.928 213 1HG2 VAL 26 1HG2 VAL 26 -14.451 4.315 -11.092 214 2HG2 VAL 26 2HG2 VAL 26 -14.826 5.930 -10.443 215 3HG2 VAL 26 3HG2 VAL 26 -14.226 4.651 -9.359 216 MG1 VAL 26 MG1 VAL 26 -16.330 3.019 -8.684 217 MG2 VAL 26 MG2 VAL 26 -14.501 4.966 -10.298 218 QG VAL 26 QG VAL 26 -15.415 3.992 -9.491 219 H GLU 27 H GLU 27 -15.089 3.268 -12.866 220 HA GLU 27 HA GLU 27 -14.313 5.598 -13.958 221 1HB GLU 27 1HB GLU 27 -13.178 3.433 -14.319 222 2HB GLU 27 2HB GLU 27 -14.501 2.877 -15.324 223 1HG GLU 27 1HG GLU 27 -13.871 5.273 -16.556 224 2HG GLU 27 2HG GLU 27 -12.297 4.772 -15.973 225 HE2 GLU 27 HE2 GLU 27 -13.799 3.072 -19.140 226 QB GLU 27 QB GLU 27 -13.839 3.155 -14.822 227 QG GLU 27 QG GLU 27 -13.084 5.023 -16.265 228 H ALA 28 H ALA 28 -15.101 7.079 -15.427 229 HA ALA 28 HA ALA 28 -17.446 6.261 -16.990 230 1HB ALA 28 2HB ALA 28 -17.089 8.892 -15.498 231 2HB ALA 28 3HB ALA 28 -18.482 8.428 -16.504 232 3HB ALA 28 1HB ALA 28 -18.151 7.558 -14.988 233 MB ALA 28 MB ALA 28 -17.907 8.293 -15.663 234 H GLY 29 H GLY 29 -17.832 7.917 -18.834 235 1HA GLY 29 1HA GLY 29 -17.074 9.118 -20.590 236 2HA GLY 29 2HA GLY 29 -15.632 9.521 -19.679 237 QA GLY 29 QA GLY 29 -16.353 9.320 -20.134 238 H ASN 30 H ASN 30 -15.184 9.079 -22.298 239 HA ASN 30 HA ASN 30 -14.536 6.284 -22.608 240 1HB ASN 30 1HB ASN 30 -14.743 8.684 -24.438 241 2HB ASN 30 2HB ASN 30 -13.688 7.376 -24.938 242 2HD2 ASN 30 1HD2 ASN 30 -14.545 5.805 -26.057 243 1HD2 ASN 30 2HD2 ASN 30 -16.214 5.346 -26.118 244 QB ASN 30 QB ASN 30 -14.216 8.030 -24.688 245 QD ASN 30 QD ASN 30 -15.380 5.576 -26.088 246 H THR 31 H THR 31 -13.087 7.936 -20.624 247 HA THR 31 HA THR 31 -10.503 8.422 -21.907 248 HB THR 31 HB THR 31 -11.359 10.230 -20.504 249 HG1 THR 31 HG1 THR 31 -9.542 8.553 -18.930 250 1HG2 THR 31 1HG2 THR 31 -12.260 8.002 -18.811 251 2HG2 THR 31 2HG2 THR 31 -11.281 9.162 -17.882 252 3HG2 THR 31 3HG2 THR 31 -12.734 9.716 -18.748 253 MG THR 31 MG THR 31 -12.092 8.960 -18.480 254 H GLY 32 H GLY 32 -12.168 6.239 -19.646 255 1HA GLY 32 1HA GLY 32 -11.512 4.097 -19.159 256 2HA GLY 32 2HA GLY 32 -9.936 4.397 -19.862 257 QA GLY 32 QA GLY 32 -10.724 4.247 -19.510 258 H ARG 33 H ARG 33 -10.783 7.012 -17.829 259 HA ARG 33 HA ARG 33 -9.238 5.786 -15.689 260 1HB ARG 33 1HB ARG 33 -9.358 8.624 -16.766 261 2HB ARG 33 2HB ARG 33 -8.840 8.349 -15.114 262 1HG ARG 33 1HG ARG 33 -7.262 6.508 -16.272 263 2HG ARG 33 2HG ARG 33 -7.503 7.512 -17.689 264 1HD ARG 33 1HD ARG 33 -6.388 9.354 -16.756 265 2HD ARG 33 2HD ARG 33 -6.776 8.897 -15.109 266 HE ARG 33 HE ARG 33 -4.408 8.151 -16.540 267 1HH1 ARG 33 1HH1 ARG 33 -6.785 6.749 -14.318 268 2HH1 ARG 33 2HH1 ARG 33 -5.675 5.590 -13.665 269 2HH2 ARG 33 HH2 ARG 33 -3.422 5.535 -14.479 270 QB ARG 33 QB ARG 33 -9.099 8.487 -15.940 271 QG ARG 33 QG ARG 33 -7.383 7.010 -16.980 272 QD ARG 33 QD ARG 33 -6.582 9.125 -15.932 273 QH1 ARG 33 QH1 ARG 33 -6.230 6.169 -13.991 274 H VAL 34 H VAL 34 -9.700 7.074 -13.468 275 HA VAL 34 HA VAL 34 -12.577 6.932 -13.123 276 HB VAL 34 HB VAL 34 -10.457 7.372 -11.024 277 1HG1 VAL 34 1HG1 VAL 34 -13.310 7.118 -10.985 278 2HG1 VAL 34 2HG1 VAL 34 -12.603 5.701 -10.173 279 3HG1 VAL 34 3HG1 VAL 34 -12.188 7.341 -9.621 280 1HG2 VAL 34 1HG2 VAL 34 -11.025 4.960 -12.634 281 2HG2 VAL 34 2HG2 VAL 34 -9.583 5.400 -11.688 282 3HG2 VAL 34 3HG2 VAL 34 -11.002 4.700 -10.873 283 MG1 VAL 34 MG1 VAL 34 -12.700 6.720 -10.260 284 MG2 VAL 34 MG2 VAL 34 -10.537 5.020 -11.732 285 QG VAL 34 QG VAL 34 -11.618 5.870 -10.996 286 H LEU 35 H LEU 35 -13.730 8.747 -13.534 287 HA LEU 35 HA LEU 35 -12.570 11.290 -13.644 288 1HB LEU 35 1HB LEU 35 -15.131 10.051 -14.091 289 2HB LEU 35 2HB LEU 35 -15.343 11.552 -13.212 290 HG LEU 35 HG LEU 35 -13.778 11.315 -15.795 291 1HD1 LEU 35 1HD1 LEU 35 -16.689 11.880 -15.287 292 2HD1 LEU 35 2HD1 LEU 35 -15.854 12.564 -16.703 293 3HD1 LEU 35 3HD1 LEU 35 -15.934 10.799 -16.484 294 1HD2 LEU 35 1HD2 LEU 35 -14.301 13.504 -13.889 295 2HD2 LEU 35 2HD2 LEU 35 -12.993 13.293 -15.078 296 3HD2 LEU 35 3HD2 LEU 35 -14.580 13.908 -15.600 297 MD1 LEU 35 MD1 LEU 35 -16.159 11.748 -16.158 298 MD2 LEU 35 MD2 LEU 35 -13.958 13.568 -14.856 299 QB LEU 35 QB LEU 35 -15.237 10.802 -13.651 300 QD LEU 35 QD LEU 35 -15.059 12.658 -15.507 301 H ALA 36 H ALA 36 -13.305 9.296 -10.975 302 HA ALA 36 HA ALA 36 -12.940 9.728 -8.805 303 1HB ALA 36 1HB ALA 36 -11.713 11.873 -9.828 304 2HB ALA 36 2HB ALA 36 -13.112 12.707 -9.109 305 3HB ALA 36 3HB ALA 36 -12.037 11.726 -8.084 306 MB ALA 36 MB ALA 36 -12.287 12.102 -9.007 307 H LEU 37 H LEU 37 -15.107 12.235 -10.306 308 HA LEU 37 HA LEU 37 -16.879 12.542 -8.285 309 1HB LEU 37 1HB LEU 37 -17.036 12.677 -11.251 310 2HB LEU 37 2HB LEU 37 -18.550 12.683 -10.367 311 HG LEU 37 HG LEU 37 -17.499 14.935 -10.985 312 1HD1 LEU 37 1HD1 LEU 37 -19.134 14.135 -8.886 313 2HD1 LEU 37 2HD1 LEU 37 -17.922 15.187 -8.116 314 3HD1 LEU 37 3HD1 LEU 37 -18.893 15.796 -9.479 315 1HD2 LEU 37 1HD2 LEU 37 -15.672 14.160 -8.697 316 2HD2 LEU 37 2HD2 LEU 37 -15.212 14.535 -10.375 317 3HD2 LEU 37 3HD2 LEU 37 -15.864 15.815 -9.323 318 MD1 LEU 37 MD1 LEU 37 -18.649 15.039 -8.827 319 MD2 LEU 37 MD2 LEU 37 -15.583 14.837 -9.465 320 QB LEU 37 QB LEU 37 -17.793 12.680 -10.809 321 QD LEU 37 QD LEU 37 -17.116 14.938 -9.146 322 H ASP 38 H ASP 38 -16.704 9.844 -10.663 323 HA ASP 38 HA ASP 38 -19.075 8.658 -9.751 324 1HB ASP 38 1HB ASP 38 -16.820 7.983 -11.575 325 2HB ASP 38 2HB ASP 38 -17.581 6.586 -10.839 326 HD2 ASP 38 HD2 ASP 38 -18.582 5.867 -12.596 327 QB ASP 38 QB ASP 38 -17.201 7.284 -11.207 328 H ALA 39 H ALA 39 -15.578 8.433 -8.963 329 HA ALA 39 HA ALA 39 -15.517 6.084 -7.542 330 1HB ALA 39 2HB ALA 39 -14.034 8.662 -6.893 331 2HB ALA 39 3HB ALA 39 -13.520 7.002 -6.508 332 3HB ALA 39 1HB ALA 39 -13.583 7.545 -8.203 333 MB ALA 39 MB ALA 39 -13.712 7.736 -7.201 334 H ALA 40 H ALA 40 -16.211 9.437 -6.321 335 HA ALA 40 HA ALA 40 -16.737 8.622 -3.697 336 1HB ALA 40 1HB ALA 40 -17.284 11.041 -5.400 337 2HB ALA 40 3HB ALA 40 -16.308 10.892 -3.920 338 3HB ALA 40 2HB ALA 40 -18.085 10.903 -3.817 339 MB ALA 40 MB ALA 40 -17.226 10.945 -4.379 340 H ALA 41 H ALA 41 -18.598 8.465 -6.685 341 HA ALA 41 HA ALA 41 -21.148 8.315 -5.447 342 1HB ALA 41 3HB ALA 41 -21.829 8.426 -7.593 343 2HB ALA 41 1HB ALA 41 -20.111 8.582 -8.032 344 3HB ALA 41 2HB ALA 41 -20.890 6.981 -8.039 345 MB ALA 41 MB ALA 41 -20.943 7.996 -7.888 346 H PHE 42 H PHE 42 -18.725 5.911 -6.647 347 HA PHE 42 HA PHE 42 -20.342 3.688 -5.986 348 1HB PHE 42 1HB PHE 42 -18.362 3.898 -7.645 349 2HB PHE 42 2HB PHE 42 -17.291 3.973 -6.261 350 HD1 PHE 42 HD1 PHE 42 -17.315 1.972 -4.643 351 HD2 PHE 42 HD2 PHE 42 -18.981 1.831 -8.543 352 HE1 PHE 42 HE1 PHE 42 -17.180 -0.534 -4.610 353 HE2 PHE 42 HE2 PHE 42 -18.847 -0.675 -8.510 354 HZ PHE 42 HZ PHE 42 -17.948 -1.828 -6.544 355 QB PHE 42 QB PHE 42 -17.827 3.935 -6.953 356 QD PHE 42 QD PHE 42 -18.148 1.902 -6.593 357 QE PHE 42 QE PHE 42 -18.013 -0.604 -6.560 358 QR PHE 42 QR PHE 42 -18.080 0.649 -6.577 359 H LEU 43 H LEU 43 -18.062 5.742 -4.211 360 HA LEU 43 HA LEU 43 -17.544 3.872 -2.146 361 1HB LEU 43 1HB LEU 43 -17.196 6.852 -2.418 362 2HB LEU 43 2HB LEU 43 -16.790 5.991 -0.946 363 HG LEU 43 HG LEU 43 -15.573 5.490 -3.677 364 1HD1 LEU 43 1HD1 LEU 43 -14.985 7.665 -2.516 365 2HD1 LEU 43 2HD1 LEU 43 -14.216 6.676 -1.251 366 3HD1 LEU 43 3HD1 LEU 43 -13.623 6.595 -2.928 367 1HD2 LEU 43 1HD2 LEU 43 -15.396 4.034 -1.089 368 2HD2 LEU 43 2HD2 LEU 43 -15.284 3.434 -2.761 369 3HD2 LEU 43 3HD2 LEU 43 -13.890 4.251 -2.013 370 MD1 LEU 43 MD1 LEU 43 -14.275 6.979 -2.232 371 MD2 LEU 43 MD2 LEU 43 -14.856 3.906 -1.954 372 QB LEU 43 QB LEU 43 -16.993 6.422 -1.682 373 QD LEU 43 QD LEU 43 -14.566 5.442 -2.093 374 H LYS 44 H LYS 44 -19.870 6.601 -2.592 375 HA LYS 44 HA LYS 44 -20.968 6.586 -0.073 376 1HB LYS 44 1HB LYS 44 -21.901 7.384 -2.799 377 2HB LYS 44 2HB LYS 44 -23.097 7.291 -1.522 378 1HG LYS 44 1HG LYS 44 -21.109 8.627 -0.192 379 2HG LYS 44 2HG LYS 44 -20.784 9.169 -1.827 380 1HD LYS 44 1HD LYS 44 -23.662 9.206 -0.997 381 2HD LYS 44 2HD LYS 44 -22.621 10.349 -0.172 382 1HE LYS 44 1HE LYS 44 -23.026 11.684 -1.993 383 2HE LYS 44 2HE LYS 44 -21.774 10.724 -2.757 384 QB LYS 44 QB LYS 44 -22.499 7.337 -2.160 385 QD LYS 44 QD LYS 44 -23.141 9.778 -0.585 386 QG LYS 44 QG LYS 44 -20.946 8.898 -1.010 387 QE LYS 44 QE LYS 44 -22.400 11.204 -2.375 388 QZ LYS 44 QZ LYS 44 -23.656 9.822 -3.770 389 H LYS 45 H LYS 45 -21.083 4.150 -2.565 390 HA LYS 45 HA LYS 45 -23.522 2.959 -1.699 391 1HB LYS 45 1HB LYS 45 -21.284 1.789 -3.379 392 2HB LYS 45 2HB LYS 45 -22.915 1.165 -3.233 393 1HG LYS 45 1HG LYS 45 -22.996 3.998 -3.937 394 2HG LYS 45 2HG LYS 45 -21.973 3.133 -5.067 395 1HD LYS 45 1HD LYS 45 -24.413 1.609 -4.479 396 2HD LYS 45 2HD LYS 45 -24.803 3.216 -5.059 397 1HE LYS 45 1HE LYS 45 -23.097 2.784 -6.965 398 2HE LYS 45 2HE LYS 45 -23.097 1.108 -6.453 399 QB LYS 45 QB LYS 45 -22.100 1.477 -3.306 400 QD LYS 45 QD LYS 45 -24.608 2.412 -4.769 401 QG LYS 45 QG LYS 45 -22.485 3.566 -4.502 402 QE LYS 45 QE LYS 45 -23.097 1.946 -6.709 403 QZ LYS 45 QZ LYS 45 -25.255 1.273 -7.305 404 H SER 46 H SER 46 -20.598 3.365 -0.156 405 HA SER 46 HA SER 46 -20.149 0.774 0.799 406 1HB SER 46 2HB SER 46 -18.440 2.576 0.829 407 2HB SER 46 1HB SER 46 -18.653 1.858 2.413 408 HG SER 46 HG SER 46 -19.167 4.471 1.549 409 QB SER 46 QB SER 46 -18.546 2.217 1.621 410 H GLY 47 H GLY 47 -21.172 3.660 2.763 411 1HA GLY 47 1HA GLY 47 -23.596 2.972 3.674 412 2HA GLY 47 2HA GLY 47 -22.565 1.914 4.616 413 QA GLY 47 QA GLY 47 -23.081 2.443 4.145 414 H LEU 48 H LEU 48 -20.292 4.009 4.409 415 HA LEU 48 HA LEU 48 -20.810 5.255 6.862 416 1HB LEU 48 1HB LEU 48 -18.690 5.338 4.782 417 2HB LEU 48 2HB LEU 48 -18.761 6.684 5.903 418 HG LEU 48 HG LEU 48 -18.682 3.819 6.858 419 1HD1 LEU 48 1HD1 LEU 48 -16.745 4.248 5.367 420 2HD1 LEU 48 2HD1 LEU 48 -16.280 5.611 6.414 421 3HD1 LEU 48 3HD1 LEU 48 -16.284 3.953 7.061 422 1HD2 LEU 48 1HD2 LEU 48 -18.010 6.463 8.176 423 2HD2 LEU 48 2HD2 LEU 48 -19.406 5.414 8.519 424 3HD2 LEU 48 3HD2 LEU 48 -17.760 4.860 8.907 425 MD1 LEU 48 MD1 LEU 48 -16.436 4.604 6.281 426 MD2 LEU 48 MD2 LEU 48 -18.392 5.579 8.534 427 QB LEU 48 QB LEU 48 -18.725 6.011 5.342 428 QD LEU 48 QD LEU 48 -17.414 5.091 7.407 429 HA PRO 49 HA PRO 49 -22.770 8.928 5.728 430 1HB PRO 49 1HB PRO 49 -21.700 10.806 7.401 431 2HB PRO 49 2HB PRO 49 -22.923 9.657 7.907 432 1HG PRO 49 2HG PRO 49 -21.314 8.803 9.322 433 2HG PRO 49 1HG PRO 49 -20.027 9.667 8.504 434 1HD PRO 49 1HD PRO 49 -19.414 7.705 7.475 435 2HD PRO 49 2HD PRO 49 -20.771 6.869 8.204 436 QB PRO 49 QB PRO 49 -22.311 10.231 7.654 437 QG PRO 49 QG PRO 49 -20.671 9.235 8.913 438 QD PRO 49 QD PRO 49 -20.093 7.287 7.840 439 H ASP 50 H ASP 50 -22.159 11.588 5.568 440 HA ASP 50 HA ASP 50 -20.410 11.432 3.274 441 1HB ASP 50 1HB ASP 50 -21.349 13.571 2.632 442 2HB ASP 50 2HB ASP 50 -22.676 12.543 3.136 443 HD2 ASP 50 HD2 ASP 50 -23.356 13.665 5.931 444 QB ASP 50 QB ASP 50 -22.013 13.057 2.884 445 H LEU 51 H LEU 51 -20.825 12.936 6.507 446 HA LEU 51 HA LEU 51 -18.804 14.846 6.329 447 1HB LEU 51 2HB LEU 51 -20.695 14.057 8.168 448 2HB LEU 51 1HB LEU 51 -19.531 15.355 8.344 449 HG LEU 51 HG LEU 51 -18.051 13.182 9.143 450 1HD1 LEU 51 1HD1 LEU 51 -19.250 15.524 10.312 451 2HD1 LEU 51 2HD1 LEU 51 -19.281 14.176 11.475 452 3HD1 LEU 51 3HD1 LEU 51 -17.741 14.685 10.744 453 1HD2 LEU 51 1HD2 LEU 51 -20.056 11.732 8.988 454 2HD2 LEU 51 2HD2 LEU 51 -19.379 11.827 10.631 455 3HD2 LEU 51 3HD2 LEU 51 -20.849 12.743 10.220 456 MD1 LEU 51 MD1 LEU 51 -18.757 14.795 10.844 457 MD2 LEU 51 MD2 LEU 51 -20.095 12.100 9.946 458 QB LEU 51 QB LEU 51 -20.113 14.706 8.256 459 QD LEU 51 QD LEU 51 -19.426 13.448 10.395 460 H ILE 52 H ILE 52 -18.745 11.451 7.611 461 HA ILE 52 HA ILE 52 -15.978 11.512 8.131 462 HB ILE 52 HB ILE 52 -17.974 9.277 7.804 463 1HG1 ILE 52 1HG1 ILE 52 -17.037 10.979 10.044 464 2HG1 ILE 52 2HG1 ILE 52 -18.594 10.223 9.773 465 1HG2 ILE 52 1HG2 ILE 52 -15.544 8.667 7.249 466 2HG2 ILE 52 2HG2 ILE 52 -15.218 8.941 8.977 467 3HG2 ILE 52 3HG2 ILE 52 -16.389 7.696 8.479 468 1HD1 ILE 52 1HD1 ILE 52 -17.341 7.961 10.214 469 2HD1 ILE 52 2HD1 ILE 52 -16.075 8.990 10.924 470 3HD1 ILE 52 3HD1 ILE 52 -17.720 9.008 11.603 471 MG ILE 52 MG ILE 52 -15.717 8.434 8.235 472 MD ILE 52 MD ILE 52 -17.045 8.653 10.914 473 QG ILE 52 QG ILE 52 -17.815 10.601 9.908 474 H LEU 53 H LEU 53 -17.964 10.791 5.264 475 HA LEU 53 HA LEU 53 -15.936 9.497 3.807 476 1HB LEU 53 1HB LEU 53 -18.638 10.517 3.375 477 2HB LEU 53 2HB LEU 53 -17.615 10.691 1.962 478 HG LEU 53 HG LEU 53 -18.179 8.110 3.449 479 1HD1 LEU 53 1HD1 LEU 53 -19.236 9.289 0.885 480 2HD1 LEU 53 2HD1 LEU 53 -19.231 7.533 1.174 481 3HD1 LEU 53 3HD1 LEU 53 -20.129 8.612 2.267 482 1HD2 LEU 53 1HD2 LEU 53 -16.321 8.750 1.169 483 2HD2 LEU 53 2HD2 LEU 53 -16.020 7.800 2.644 484 3HD2 LEU 53 3HD2 LEU 53 -17.039 7.131 1.347 485 MD1 LEU 53 MD1 LEU 53 -19.532 8.478 1.442 486 MD2 LEU 53 MD2 LEU 53 -16.460 7.894 1.720 487 QB LEU 53 QB LEU 53 -18.127 10.604 2.668 488 QD LEU 53 QD LEU 53 -17.996 8.186 1.581 489 H GLY 54 H GLY 54 -17.022 12.939 4.030 490 1HA GLY 54 1HA GLY 54 -15.482 14.087 2.087 491 2HA GLY 54 2HA GLY 54 -15.898 14.845 3.611 492 QA GLY 54 QA GLY 54 -15.690 14.466 2.849 493 H LYS 55 H LYS 55 -14.502 13.096 5.428 494 HA LYS 55 HA LYS 55 -11.962 14.255 5.330 495 1HB LYS 55 1HB LYS 55 -13.288 12.132 6.987 496 2HB LYS 55 2HB LYS 55 -11.557 12.363 7.122 497 1HG LYS 55 1HG LYS 55 -12.420 14.979 7.220 498 2HG LYS 55 2HG LYS 55 -13.782 14.165 7.964 499 1HD LYS 55 1HD LYS 55 -11.711 12.893 9.243 500 2HD LYS 55 2HD LYS 55 -10.974 14.456 8.950 501 1HE LYS 55 1HE LYS 55 -13.714 14.100 10.253 502 2HE LYS 55 2HE LYS 55 -12.225 14.272 11.161 503 QB LYS 55 QB LYS 55 -12.423 12.247 7.054 504 QD LYS 55 QD LYS 55 -11.342 13.674 9.097 505 QG LYS 55 QG LYS 55 -13.101 14.572 7.592 506 QE LYS 55 QE LYS 55 -12.970 14.186 10.707 507 QZ LYS 55 QZ LYS 55 -12.882 16.339 9.599 508 H ILE 56 H ILE 56 -13.212 11.025 4.341 509 HA ILE 56 HA ILE 56 -10.757 9.850 3.816 510 HB ILE 56 HB ILE 56 -13.517 9.444 2.685 511 1HG1 ILE 56 1HG1 ILE 56 -11.850 7.920 4.708 512 2HG1 ILE 56 2HG1 ILE 56 -13.252 8.914 5.048 513 1HG2 ILE 56 1HG2 ILE 56 -11.697 8.782 1.054 514 2HG2 ILE 56 2HG2 ILE 56 -11.183 7.572 2.254 515 3HG2 ILE 56 3HG2 ILE 56 -12.816 7.490 1.550 516 1HD1 ILE 56 1HD1 ILE 56 -14.109 7.118 3.027 517 2HD1 ILE 56 2HD1 ILE 56 -13.145 6.141 4.160 518 3HD1 ILE 56 3HD1 ILE 56 -14.539 7.075 4.754 519 MG ILE 56 MG ILE 56 -11.899 7.948 1.619 520 MD ILE 56 MD ILE 56 -13.931 6.778 3.980 521 QG ILE 56 QG ILE 56 -12.551 8.417 4.878 522 H TRP 57 H TRP 57 -13.010 11.526 1.503 523 HA TRP 57 HA TRP 57 -11.326 11.422 -0.680 524 1HB TRP 57 1HB TRP 57 -13.761 12.063 -0.593 525 2HB TRP 57 2HB TRP 57 -13.261 13.649 -0.039 526 HD1 TRP 57 HD1 TRP 57 -11.907 15.202 -1.882 527 HE1 TRP 57 HE1 TRP 57 -11.853 15.256 -4.519 528 HE3 TRP 57 HE3 TRP 57 -13.874 10.560 -2.541 529 HZ2 TRP 57 HZ2 TRP 57 -12.623 13.394 -6.540 530 HZ3 TRP 57 HZ3 TRP 57 -14.191 9.754 -4.878 531 HH2 TRP 57 HH2 TRP 57 -13.601 11.089 -6.839 532 QB TRP 57 QB TRP 57 -13.511 12.856 -0.316 533 H ASP 58 H ASP 58 -11.715 13.977 1.873 534 HA ASP 58 HA ASP 58 -10.064 15.849 1.009 535 1HB ASP 58 1HB ASP 58 -11.288 15.460 3.335 536 2HB ASP 58 2HB ASP 58 -9.726 14.859 3.855 537 HD2 ASP 58 HD2 ASP 58 -8.852 17.313 5.055 538 QB ASP 58 QB ASP 58 -10.507 15.159 3.595 539 H LEU 59 H LEU 59 -9.115 12.825 2.796 540 HA LEU 59 HA LEU 59 -6.321 13.410 2.524 541 1HB LEU 59 1HB LEU 59 -6.823 12.323 4.490 542 2HB LEU 59 2HB LEU 59 -7.984 11.247 3.740 543 HG LEU 59 HG LEU 59 -5.741 10.285 4.566 544 1HD1 LEU 59 1HD1 LEU 59 -7.531 9.516 2.579 545 2HD1 LEU 59 2HD1 LEU 59 -5.927 9.304 1.836 546 3HD1 LEU 59 3HD1 LEU 59 -6.309 8.495 3.374 547 1HD2 LEU 59 1HD2 LEU 59 -4.747 12.200 2.727 548 2HD2 LEU 59 2HD2 LEU 59 -3.838 11.015 3.696 549 3HD2 LEU 59 3HD2 LEU 59 -4.392 10.589 2.059 550 MD1 LEU 59 MD1 LEU 59 -6.589 9.105 2.596 551 MD2 LEU 59 MD2 LEU 59 -4.326 11.268 2.828 552 QB LEU 59 QB LEU 59 -7.403 11.785 4.115 553 QD LEU 59 QD LEU 59 -5.458 10.187 2.712 554 H ALA 60 H ALA 60 -8.840 11.730 0.717 555 HA ALA 60 HA ALA 60 -7.213 9.982 -0.733 556 1HB ALA 60 1HB ALA 60 -9.798 10.149 -0.492 557 2HB ALA 60 3HB ALA 60 -9.127 9.652 -2.064 558 3HB ALA 60 2HB ALA 60 -9.695 11.322 -1.827 559 MB ALA 60 MB ALA 60 -9.540 10.374 -1.461 560 H ASP 61 H ASP 61 -8.522 13.256 -1.635 561 HA ASP 61 HA ASP 61 -7.473 13.615 -4.006 562 1HB ASP 61 1HB ASP 61 -8.643 15.432 -2.975 563 2HB ASP 61 2HB ASP 61 -7.532 15.495 -1.622 564 HD2 ASP 61 HD2 ASP 61 -7.798 17.989 -2.909 565 QB ASP 61 QB ASP 61 -8.087 15.463 -2.298 566 H THR 62 H THR 62 -5.410 13.623 -4.946 567 HA THR 62 HA THR 62 -3.113 14.492 -3.490 568 HB THR 62 HB THR 62 -3.781 11.559 -3.760 569 HG1 THR 62 HG1 THR 62 -3.764 12.663 -1.699 570 1HG2 THR 62 1HG2 THR 62 -1.652 11.889 -5.116 571 2HG2 THR 62 2HG2 THR 62 -0.928 12.671 -3.690 572 3HG2 THR 62 3HG2 THR 62 -1.401 10.956 -3.621 573 MG THR 62 MG THR 62 -1.327 11.838 -4.142 574 H ASP 63 H ASP 63 -4.470 12.711 -6.309 575 HA ASP 63 HA ASP 63 -2.399 12.904 -8.003 576 1HB ASP 63 1HB ASP 63 -4.553 13.556 -9.644 577 2HB ASP 63 2HB ASP 63 -4.074 11.931 -9.194 578 HD2 ASP 63 HD2 ASP 63 -5.740 10.807 -8.391 579 QB ASP 63 QB ASP 63 -4.313 12.743 -9.419 580 H GLY 64 H GLY 64 -5.056 15.350 -7.482 581 1HA GLY 64 1HA GLY 64 -4.629 17.658 -7.300 582 2HA GLY 64 2HA GLY 64 -3.182 17.476 -8.272 583 QA GLY 64 QA GLY 64 -3.905 17.567 -7.786 584 H LYS 65 H LYS 65 -6.754 16.819 -8.531 585 HA LYS 65 HA LYS 65 -7.270 18.559 -10.561 586 1HB LYS 65 1HB LYS 65 -7.352 16.931 -12.539 587 2HB LYS 65 2HB LYS 65 -5.796 17.603 -12.096 588 1HG LYS 65 1HG LYS 65 -5.230 15.547 -10.831 589 2HG LYS 65 2HG LYS 65 -6.816 14.879 -11.162 590 1HD LYS 65 2HD LYS 65 -6.131 15.321 -13.708 591 2HD LYS 65 1HD LYS 65 -5.615 13.868 -12.876 592 1HE LYS 65 1HE LYS 65 -3.841 16.284 -12.612 593 2HE LYS 65 2HE LYS 65 -3.402 14.589 -12.676 594 QB LYS 65 QB LYS 65 -6.574 17.267 -12.318 595 QD LYS 65 QD LYS 65 -5.873 14.595 -13.292 596 QG LYS 65 QG LYS 65 -6.023 15.213 -10.996 597 QE LYS 65 QE LYS 65 -3.622 15.436 -12.644 598 QZ LYS 65 QZ LYS 65 -3.433 15.875 -14.848 599 H GLY 66 H GLY 66 -7.771 15.216 -9.328 600 1HA GLY 66 1HA GLY 66 -10.055 15.236 -8.152 601 2HA GLY 66 2HA GLY 66 -10.666 15.536 -9.767 602 QA GLY 66 QA GLY 66 -10.360 15.386 -8.959 603 H VAL 67 H VAL 67 -9.254 13.948 -11.464 604 HA VAL 67 HA VAL 67 -10.378 11.503 -11.279 605 HB VAL 67 HB VAL 67 -7.654 12.121 -12.439 606 1HG1 VAL 67 1HG1 VAL 67 -8.785 9.677 -12.246 607 2HG1 VAL 67 2HG1 VAL 67 -9.532 10.234 -13.763 608 3HG1 VAL 67 3HG1 VAL 67 -7.759 10.178 -13.612 609 1HG2 VAL 67 1HG2 VAL 67 -10.177 13.285 -13.054 610 2HG2 VAL 67 2HG2 VAL 67 -8.630 13.477 -13.913 611 3HG2 VAL 67 3HG2 VAL 67 -9.757 12.184 -14.388 612 MG1 VAL 67 MG1 VAL 67 -8.692 10.029 -13.207 613 MG2 VAL 67 MG2 VAL 67 -9.521 12.982 -13.785 614 QG VAL 67 QG VAL 67 -9.106 11.506 -13.496 615 H LEU 68 H LEU 68 -9.762 9.410 -10.534 616 HA LEU 68 HA LEU 68 -7.903 9.557 -8.281 617 1HB LEU 68 1HB LEU 68 -10.110 7.610 -8.960 618 2HB LEU 68 2HB LEU 68 -9.016 7.428 -7.603 619 HG LEU 68 HG LEU 68 -11.134 9.535 -8.028 620 1HD1 LEU 68 1HD1 LEU 68 -11.600 7.226 -6.999 621 2HD1 LEU 68 2HD1 LEU 68 -10.693 7.822 -5.588 622 3HD1 LEU 68 3HD1 LEU 68 -12.166 8.668 -6.121 623 1HD2 LEU 68 1HD2 LEU 68 -8.697 9.654 -6.291 624 2HD2 LEU 68 2HD2 LEU 68 -9.511 10.940 -7.215 625 3HD2 LEU 68 3HD2 LEU 68 -10.227 10.344 -5.698 626 MD1 LEU 68 MD1 LEU 68 -11.486 7.905 -6.236 627 MD2 LEU 68 MD2 LEU 68 -9.479 10.313 -6.401 628 QB LEU 68 QB LEU 68 -9.563 7.519 -8.282 629 QD LEU 68 QD LEU 68 -10.482 9.109 -6.319 630 H SER 69 H SER 69 -6.669 7.392 -7.892 631 HA SER 69 HA SER 69 -5.713 6.491 -10.497 632 1HB SER 69 2HB SER 69 -3.460 6.383 -9.617 633 2HB SER 69 1HB SER 69 -4.012 6.679 -7.980 634 HG SER 69 HG SER 69 -4.286 8.569 -10.160 635 QB SER 69 QB SER 69 -3.736 6.531 -8.798 636 H LYS 70 H LYS 70 -3.897 4.501 -9.314 637 HA LYS 70 HA LYS 70 -5.811 2.434 -8.894 638 1HB LYS 70 1HB LYS 70 -2.780 2.428 -8.801 639 2HB LYS 70 2HB LYS 70 -3.788 0.996 -8.730 640 1HG LYS 70 1HG LYS 70 -4.580 1.284 -10.960 641 2HG LYS 70 2HG LYS 70 -4.131 2.978 -11.004 642 1HD LYS 70 1HD LYS 70 -1.691 2.269 -10.851 643 2HD LYS 70 2HD LYS 70 -2.213 0.601 -10.983 644 1HE LYS 70 1HE LYS 70 -2.174 0.827 -13.241 645 2HE LYS 70 2HE LYS 70 -3.533 1.926 -13.112 646 QB LYS 70 QB LYS 70 -3.284 1.712 -8.766 647 QD LYS 70 QD LYS 70 -1.952 1.435 -10.917 648 QG LYS 70 QG LYS 70 -4.355 2.131 -10.982 649 QE LYS 70 QE LYS 70 -2.853 1.377 -13.176 650 QZ LYS 70 QZ LYS 70 -1.249 3.199 -12.904 651 H GLN 71 H GLN 71 -2.875 3.026 -6.877 652 HA GLN 71 HA GLN 71 -3.856 1.891 -4.641 653 1HB GLN 71 1HB GLN 71 -1.571 3.385 -5.369 654 2HB GLN 71 2HB GLN 71 -2.216 4.225 -3.973 655 1HG GLN 71 1HG GLN 71 -2.347 1.359 -3.499 656 2HG GLN 71 2HG GLN 71 -0.725 1.779 -4.015 657 2HE2 GLN 71 1HE2 GLN 71 0.545 2.023 -2.352 658 1HE2 GLN 71 2HE2 GLN 71 0.194 2.847 -0.870 659 QB GLN 71 QB GLN 71 -1.893 3.805 -4.671 660 QG GLN 71 QG GLN 71 -1.536 1.569 -3.757 661 QE GLN 71 QE GLN 71 0.370 2.435 -1.611 662 H GLU 72 H GLU 72 -3.992 5.418 -5.509 663 HA GLU 72 HA GLU 72 -5.119 6.450 -3.351 664 1HB GLU 72 1HB GLU 72 -5.551 6.965 -6.289 665 2HB GLU 72 2HB GLU 72 -6.556 7.829 -5.143 666 1HG GLU 72 1HG GLU 72 -3.606 7.758 -4.567 667 2HG GLU 72 2HG GLU 72 -4.118 8.731 -5.932 668 HE2 GLU 72 HE2 GLU 72 -6.539 10.320 -4.081 669 QB GLU 72 QB GLU 72 -6.053 7.397 -5.716 670 QG GLU 72 QG GLU 72 -3.862 8.244 -5.249 671 H PHE 73 H PHE 73 -7.224 5.347 -6.111 672 HA PHE 73 HA PHE 73 -9.578 5.387 -4.702 673 1HB PHE 73 1HB PHE 73 -9.579 5.136 -7.109 674 2HB PHE 73 2HB PHE 73 -8.421 3.822 -7.054 675 HD1 PHE 73 HD1 PHE 73 -9.197 1.575 -6.147 676 HD2 PHE 73 HD2 PHE 73 -11.889 4.700 -7.148 677 HE1 PHE 73 HE1 PHE 73 -11.075 -0.085 -6.282 678 HE2 PHE 73 HE2 PHE 73 -13.766 3.039 -7.284 679 HZ PHE 73 HZ PHE 73 -13.337 0.667 -6.849 680 QB PHE 73 QB PHE 73 -9.000 4.479 -7.082 681 QD PHE 73 QD PHE 73 -10.543 3.137 -6.648 682 QE PHE 73 QE PHE 73 -12.421 1.477 -6.783 683 QR PHE 73 QR PHE 73 -11.482 2.307 -6.715 684 H PHE 74 H PHE 74 -7.049 2.854 -4.882 685 HA PHE 74 HA PHE 74 -8.650 0.870 -3.635 686 1HB PHE 74 1HB PHE 74 -5.893 1.349 -4.654 687 2HB PHE 74 2HB PHE 74 -5.887 0.343 -3.219 688 HD1 PHE 74 HD1 PHE 74 -7.291 0.610 -6.638 689 HD2 PHE 74 HD2 PHE 74 -6.477 -1.933 -3.339 690 HE1 PHE 74 HE1 PHE 74 -7.868 -1.392 -8.038 691 HE2 PHE 74 HE2 PHE 74 -7.054 -3.935 -4.740 692 HZ PHE 74 HZ PHE 74 -7.743 -3.640 -7.072 693 QB PHE 74 QB PHE 74 -5.890 0.846 -3.936 694 QD PHE 74 QD PHE 74 -6.884 -0.662 -4.989 695 QE PHE 74 QE PHE 74 -7.461 -2.663 -6.389 696 QR PHE 74 QR PHE 74 -7.173 -1.662 -5.689 697 H VAL 75 H VAL 75 -7.143 3.726 -2.484 698 HA VAL 75 HA VAL 75 -6.593 2.613 0.142 699 HB VAL 75 HB VAL 75 -5.859 4.993 -1.411 700 1HG1 VAL 75 1HG1 VAL 75 -6.480 5.230 1.548 701 2HG1 VAL 75 2HG1 VAL 75 -5.420 6.356 0.666 702 3HG1 VAL 75 3HG1 VAL 75 -7.134 6.206 0.211 703 1HG2 VAL 75 1HG2 VAL 75 -4.265 3.224 -0.856 704 2HG2 VAL 75 2HG2 VAL 75 -3.778 4.764 -0.108 705 3HG2 VAL 75 3HG2 VAL 75 -4.542 3.497 0.881 706 MG1 VAL 75 MG1 VAL 75 -6.345 5.931 0.808 707 MG2 VAL 75 MG2 VAL 75 -4.195 3.828 -0.027 708 QG VAL 75 QG VAL 75 -5.270 4.880 0.390 709 H ALA 76 H ALA 76 -8.552 5.332 -1.277 710 HA ALA 76 HA ALA 76 -9.983 5.938 0.978 711 1HB ALA 76 2HB ALA 76 -11.748 6.237 -1.200 712 2HB ALA 76 1HB ALA 76 -10.117 6.408 -1.892 713 3HB ALA 76 3HB ALA 76 -10.629 7.458 -0.549 714 MB ALA 76 MB ALA 76 -10.831 6.701 -1.213 715 H LEU 77 H LEU 77 -10.535 3.351 -1.468 716 HA LEU 77 HA LEU 77 -13.035 2.542 -0.656 717 1HB LEU 77 1HB LEU 77 -10.853 1.535 -2.255 718 2HB LEU 77 2HB LEU 77 -11.599 0.231 -1.354 719 HG LEU 77 HG LEU 77 -12.945 2.114 -3.305 720 1HD1 LEU 77 1HD1 LEU 77 -11.552 0.191 -4.175 721 2HD1 LEU 77 2HD1 LEU 77 -12.736 -0.900 -3.417 722 3HD1 LEU 77 3HD1 LEU 77 -13.253 0.223 -4.697 723 1HD2 LEU 77 1HD2 LEU 77 -14.135 0.196 -1.315 724 2HD2 LEU 77 2HD2 LEU 77 -14.611 1.866 -1.706 725 3HD2 LEU 77 3HD2 LEU 77 -14.957 0.550 -2.854 726 MD1 LEU 77 MD1 LEU 77 -12.514 -0.162 -4.096 727 MD2 LEU 77 MD2 LEU 77 -14.568 0.870 -1.958 728 QB LEU 77 QB LEU 77 -11.226 0.883 -1.805 729 QD LEU 77 QD LEU 77 -13.541 0.354 -3.027 730 H ARG 78 H ARG 78 -9.963 0.839 0.277 731 HA ARG 78 HA ARG 78 -11.067 -0.624 2.258 732 1HB ARG 78 1HB ARG 78 -8.280 0.474 1.792 733 2HB ARG 78 2HB ARG 78 -8.602 -0.398 3.278 734 1HG ARG 78 2HG ARG 78 -7.755 -1.935 1.532 735 2HG ARG 78 1HG ARG 78 -9.045 -1.457 0.446 736 1HD ARG 78 2HD ARG 78 -9.922 -2.424 3.143 737 2HD ARG 78 1HD ARG 78 -9.188 -3.634 2.109 738 HE ARG 78 HE ARG 78 -11.265 -1.958 0.832 739 1HH1 ARG 78 1HH1 ARG 78 -10.503 -5.021 2.443 740 2HH1 ARG 78 2HH1 ARG 78 -11.906 -5.834 1.833 741 2HH2 ARG 78 HH2 ARG 78 -13.427 -4.644 0.415 742 QB ARG 78 QB ARG 78 -8.441 0.038 2.535 743 QG ARG 78 QG ARG 78 -8.400 -1.696 0.989 744 QD ARG 78 QD ARG 78 -9.555 -3.029 2.626 745 QH1 ARG 78 QH1 ARG 78 -11.204 -5.427 2.138 746 H LEU 79 H LEU 79 -9.943 2.774 2.299 747 HA LEU 79 HA LEU 79 -9.756 3.220 4.997 748 1HB LEU 79 1HB LEU 79 -9.437 4.702 2.805 749 2HB LEU 79 2HB LEU 79 -11.016 5.296 3.277 750 HG LEU 79 HG LEU 79 -8.524 5.337 5.002 751 1HD1 LEU 79 1HD1 LEU 79 -9.248 7.027 2.894 752 2HD1 LEU 79 2HD1 LEU 79 -9.681 7.916 4.373 753 3HD1 LEU 79 3HD1 LEU 79 -8.018 7.323 4.146 754 1HD2 LEU 79 1HD2 LEU 79 -11.274 5.463 5.744 755 2HD2 LEU 79 2HD2 LEU 79 -9.828 5.659 6.764 756 3HD2 LEU 79 3HD2 LEU 79 -10.558 7.077 5.973 757 MD1 LEU 79 MD1 LEU 79 -8.983 7.422 3.804 758 MD2 LEU 79 MD2 LEU 79 -10.553 6.067 6.160 759 QB LEU 79 QB LEU 79 -10.227 4.999 3.041 760 QD LEU 79 QD LEU 79 -9.768 6.744 4.982 761 H VAL 80 H VAL 80 -12.681 3.178 2.884 762 HA VAL 80 HA VAL 80 -14.526 4.090 4.684 763 HB VAL 80 HB VAL 80 -14.687 2.003 2.511 764 1HG1 VAL 80 1HG1 VAL 80 -16.595 2.432 4.552 765 2HG1 VAL 80 2HG1 VAL 80 -17.233 3.232 3.095 766 3HG1 VAL 80 3HG1 VAL 80 -16.795 1.507 3.044 767 1HG2 VAL 80 1HG2 VAL 80 -15.259 4.968 2.668 768 2HG2 VAL 80 2HG2 VAL 80 -14.166 4.098 1.565 769 3HG2 VAL 80 3HG2 VAL 80 -15.929 3.943 1.377 770 MG1 VAL 80 MG1 VAL 80 -16.874 2.390 3.563 771 MG2 VAL 80 MG2 VAL 80 -15.118 4.337 1.870 772 QG VAL 80 QG VAL 80 -15.996 3.363 2.717 773 H ALA 81 H ALA 81 -13.309 0.705 4.231 774 HA ALA 81 HA ALA 81 -14.904 -0.493 6.139 775 1HB ALA 81 1HB ALA 81 -13.026 -1.313 4.369 776 2HB ALA 81 3HB ALA 81 -13.599 -2.325 5.716 777 3HB ALA 81 2HB ALA 81 -12.079 -1.413 5.873 778 MB ALA 81 MB ALA 81 -12.901 -1.684 5.320 779 H CYS 82 H CYS 82 -12.295 1.806 6.484 780 HA CYS 82 HA CYS 82 -11.509 1.028 9.084 781 1HB CYS 82 1HB CYS 82 -10.330 2.564 7.271 782 2HB CYS 82 2HB CYS 82 -11.185 3.846 8.104 783 HG CYS 82 HG CYS 82 -8.829 2.192 9.026 784 QB CYS 82 QB CYS 82 -10.757 3.205 7.688 785 H ALA 83 H ALA 83 -13.130 4.110 8.021 786 HA ALA 83 HA ALA 83 -14.139 4.776 10.486 787 1HB ALA 83 2HB ALA 83 -15.984 5.753 8.629 788 2HB ALA 83 1HB ALA 83 -14.489 5.553 7.683 789 3HB ALA 83 3HB ALA 83 -14.486 6.560 9.150 790 MB ALA 83 MB ALA 83 -14.986 5.955 8.487 791 H GLN 84 H GLN 84 -15.126 2.254 8.267 792 HA GLN 84 HA GLN 84 -17.794 2.079 8.965 793 1HB GLN 84 1HB GLN 84 -15.766 0.083 7.918 794 2HB GLN 84 2HB GLN 84 -17.403 -0.425 8.283 795 1HG GLN 84 1HG GLN 84 -17.363 2.075 6.725 796 2HG GLN 84 2HG GLN 84 -16.520 0.782 5.895 797 2HE2 GLN 84 1HE2 GLN 84 -17.741 -1.451 6.333 798 1HE2 GLN 84 2HE2 GLN 84 -19.416 -1.443 5.891 799 QB GLN 84 QB GLN 84 -16.584 -0.171 8.101 800 QG GLN 84 QG GLN 84 -16.941 1.428 6.310 801 QE GLN 84 QE GLN 84 -18.578 -1.447 6.112 802 H ASN 85 H ASN 85 -14.866 1.274 10.716 803 HA ASN 85 HA ASN 85 -16.483 -0.201 12.640 804 1HB ASN 85 1HB ASN 85 -14.207 -1.093 11.478 805 2HB ASN 85 2HB ASN 85 -13.460 -0.157 12.758 806 2HD2 ASN 85 1HD2 ASN 85 -12.773 -1.571 14.189 807 1HD2 ASN 85 2HD2 ASN 85 -13.706 -2.817 14.949 808 QB ASN 85 QB ASN 85 -13.834 -0.625 12.118 809 QD ASN 85 QD ASN 85 -13.240 -2.194 14.569 810 H GLY 86 H GLY 86 -16.003 2.841 12.145 811 1HA GLY 86 1HA GLY 86 -15.920 4.654 13.488 812 2HA GLY 86 2HA GLY 86 -15.754 3.602 14.880 813 QA GLY 86 QA GLY 86 -15.837 4.128 14.184 814 H LEU 87 H LEU 87 -13.466 2.952 12.337 815 HA LEU 87 HA LEU 87 -11.328 3.829 14.030 816 1HB LEU 87 1HB LEU 87 -11.432 2.502 11.322 817 2HB LEU 87 2HB LEU 87 -9.936 2.940 12.123 818 HG LEU 87 HG LEU 87 -11.963 1.169 13.483 819 1HD1 LEU 87 1HD1 LEU 87 -10.270 0.519 11.166 820 2HD1 LEU 87 2HD1 LEU 87 -10.100 -0.594 12.545 821 3HD1 LEU 87 3HD1 LEU 87 -11.702 -0.312 11.821 822 1HD2 LEU 87 1HD2 LEU 87 -9.738 2.342 14.468 823 2HD2 LEU 87 2HD2 LEU 87 -10.381 0.785 15.043 824 3HD2 LEU 87 3HD2 LEU 87 -9.049 0.816 13.863 825 MD1 LEU 87 MD1 LEU 87 -10.690 -0.129 11.844 826 MD2 LEU 87 MD2 LEU 87 -9.723 1.314 14.458 827 QB LEU 87 QB LEU 87 -10.684 2.721 11.723 828 QD LEU 87 QD LEU 87 -10.207 0.593 13.151 829 H GLU 88 H GLU 88 -9.444 5.104 12.943 830 HA GLU 88 HA GLU 88 -10.289 7.639 12.520 831 1HB GLU 88 1HB GLU 88 -7.871 6.460 12.841 832 2HB GLU 88 2HB GLU 88 -7.771 6.794 11.124 833 1HG GLU 88 1HG GLU 88 -7.369 8.989 11.525 834 2HG GLU 88 2HG GLU 88 -8.858 9.133 12.438 835 HE2 GLU 88 HE2 GLU 88 -7.426 7.493 15.076 836 QB GLU 88 QB GLU 88 -7.821 6.627 11.983 837 QG GLU 88 QG GLU 88 -8.113 9.061 11.981 838 H VAL 89 H VAL 89 -9.777 9.004 10.422 839 HA VAL 89 HA VAL 89 -10.937 7.529 8.161 840 HB VAL 89 HB VAL 89 -11.085 10.503 8.609 841 1HG1 VAL 89 1HG1 VAL 89 -11.897 8.731 6.524 842 2HG1 VAL 89 2HG1 VAL 89 -13.364 9.373 7.301 843 3HG1 VAL 89 3HG1 VAL 89 -12.142 10.490 6.648 844 1HG2 VAL 89 1HG2 VAL 89 -12.862 8.335 9.741 845 2HG2 VAL 89 2HG2 VAL 89 -12.112 9.717 10.576 846 3HG2 VAL 89 3HG2 VAL 89 -13.461 9.986 9.445 847 MG1 VAL 89 MG1 VAL 89 -12.467 9.531 6.824 848 MG2 VAL 89 MG2 VAL 89 -12.812 9.346 9.920 849 QG VAL 89 QG VAL 89 -12.640 9.439 8.372 850 H SER 90 H SER 90 -8.153 9.075 9.442 851 HA SER 90 HA SER 90 -7.205 9.813 6.815 852 1HB SER 90 1HB SER 90 -5.918 10.129 9.564 853 2HB SER 90 2HB SER 90 -5.253 10.754 8.068 854 HG SER 90 HG SER 90 -7.266 11.791 9.674 855 QB SER 90 QB SER 90 -5.585 10.442 8.816 856 H LEU 91 H LEU 91 -5.185 8.932 5.942 857 HA LEU 91 HA LEU 91 -4.965 6.174 6.246 858 1HB LEU 91 1HB LEU 91 -3.527 8.332 4.825 859 2HB LEU 91 2HB LEU 91 -2.609 6.867 5.113 860 HG LEU 91 HG LEU 91 -5.343 6.811 3.828 861 1HD1 LEU 91 1HD1 LEU 91 -2.749 7.641 2.665 862 2HD1 LEU 91 2HD1 LEU 91 -3.694 6.466 1.720 863 3HD1 LEU 91 3HD1 LEU 91 -4.415 8.029 2.173 864 1HD2 LEU 91 1HD2 LEU 91 -3.571 4.804 4.726 865 2HD2 LEU 91 2HD2 LEU 91 -5.070 4.612 3.785 866 3HD2 LEU 91 3HD2 LEU 91 -3.509 4.783 2.947 867 MD1 LEU 91 MD1 LEU 91 -3.619 7.379 2.186 868 MD2 LEU 91 MD2 LEU 91 -4.050 4.733 3.820 869 QB LEU 91 QB LEU 91 -3.068 7.599 4.969 870 QD LEU 91 QD LEU 91 -3.835 6.056 3.003 871 H SER 92 H SER 92 -3.631 8.852 8.079 872 HA SER 92 HA SER 92 -1.339 7.770 9.041 873 1HB SER 92 1HB SER 92 -1.989 10.055 9.549 874 2HB SER 92 2HB SER 92 -3.418 9.522 10.412 875 HG SER 92 HG SER 92 -2.251 9.244 12.184 876 QB SER 92 QB SER 92 -2.704 9.789 9.981 877 H SER 93 H SER 93 -4.654 6.772 9.578 878 HA SER 93 HA SER 93 -3.703 4.993 11.687 879 1HB SER 93 1HB SER 93 -5.869 6.835 11.729 880 2HB SER 93 2HB SER 93 -6.607 5.251 11.603 881 HG SER 93 HG SER 93 -4.493 5.670 13.498 882 QB SER 93 QB SER 93 -6.238 6.043 11.666 883 H LEU 94 H LEU 94 -3.487 4.565 8.784 884 HA LEU 94 HA LEU 94 -5.493 2.453 8.418 885 1HB LEU 94 1HB LEU 94 -4.173 4.378 6.586 886 2HB LEU 94 2HB LEU 94 -4.443 2.761 5.968 887 HG LEU 94 HG LEU 94 -6.249 4.317 5.371 888 1HD1 LEU 94 1HD1 LEU 94 -6.513 1.749 6.032 889 2HD1 LEU 94 2HD1 LEU 94 -7.591 2.449 7.264 890 3HD1 LEU 94 3HD1 LEU 94 -7.895 2.757 5.538 891 1HD2 LEU 94 1HD2 LEU 94 -6.036 5.097 8.113 892 2HD2 LEU 94 2HD2 LEU 94 -7.006 5.822 6.809 893 3HD2 LEU 94 3HD2 LEU 94 -7.692 4.518 7.807 894 MD1 LEU 94 MD1 LEU 94 -7.333 2.319 6.278 895 MD2 LEU 94 MD2 LEU 94 -6.911 5.146 7.576 896 QB LEU 94 QB LEU 94 -4.308 3.570 6.277 897 QD LEU 94 QD LEU 94 -7.122 3.732 6.927 898 H SER 95 H SER 95 -4.380 0.745 6.694 899 HA SER 95 HA SER 95 -2.877 -0.798 6.365 900 1HB SER 95 1HB SER 95 -0.592 -0.389 6.598 901 2HB SER 95 2HB SER 95 -1.225 1.245 6.583 902 HG SER 95 HG SER 95 -1.183 1.207 8.945 903 QB SER 95 QB SER 95 -0.908 0.428 6.590 904 H LEU 96 H LEU 96 -4.783 -0.747 8.619 905 HA LEU 96 HA LEU 96 -3.300 -2.392 10.550 906 1HB LEU 96 2HB LEU 96 -4.492 -1.523 12.249 907 2HB LEU 96 1HB LEU 96 -5.947 -1.322 11.293 908 HG LEU 96 HG LEU 96 -4.682 0.640 10.157 909 1HD1 LEU 96 1HD1 LEU 96 -6.009 0.533 12.820 910 2HD1 LEU 96 2HD1 LEU 96 -5.209 2.054 12.356 911 3HD1 LEU 96 3HD1 LEU 96 -6.488 1.371 11.325 912 1HD2 LEU 96 1HD2 LEU 96 -2.545 -0.207 11.540 913 2HD2 LEU 96 2HD2 LEU 96 -2.784 1.488 11.052 914 3HD2 LEU 96 3HD2 LEU 96 -3.194 0.972 12.706 915 MD1 LEU 96 MD1 LEU 96 -5.902 1.319 12.167 916 MD2 LEU 96 MD2 LEU 96 -2.841 0.751 11.766 917 QB LEU 96 QB LEU 96 -5.219 -1.422 11.771 918 QD LEU 96 QD LEU 96 -4.371 1.035 11.966 919 H ALA 97 H ALA 97 -5.602 -3.583 11.752 920 HA ALA 97 HA ALA 97 -6.350 -5.372 9.557 921 1HB ALA 97 1HB ALA 97 -6.220 -5.697 12.577 922 2HB ALA 97 3HB ALA 97 -5.201 -6.489 11.351 923 3HB ALA 97 2HB ALA 97 -6.924 -6.916 11.488 924 MB ALA 97 MB ALA 97 -6.115 -6.368 11.805 925 H VAL 98 H VAL 98 -7.755 -3.185 9.167 926 HA VAL 98 HA VAL 98 -10.023 -2.886 10.823 927 HB VAL 98 HB VAL 98 -10.817 -1.423 9.071 928 1HG1 VAL 98 1HG1 VAL 98 -8.677 -0.959 10.603 929 2HG1 VAL 98 2HG1 VAL 98 -7.889 -0.840 9.011 930 3HG1 VAL 98 3HG1 VAL 98 -9.264 0.220 9.406 931 1HG2 VAL 98 1HG2 VAL 98 -9.129 -3.094 7.384 932 2HG2 VAL 98 2HG2 VAL 98 -10.461 -2.000 6.939 933 3HG2 VAL 98 3HG2 VAL 98 -8.810 -1.362 7.130 934 MG1 VAL 98 MG1 VAL 98 -8.610 -0.526 9.673 935 MG2 VAL 98 MG2 VAL 98 -9.466 -2.152 7.151 936 QG VAL 98 QG VAL 98 -9.038 -1.339 8.412 937 HA PRO 99 HA PRO 99 -12.614 -5.965 9.254 938 1HB PRO 99 1HB PRO 99 -15.100 -4.873 9.560 939 2HB PRO 99 2HB PRO 99 -14.199 -5.588 10.881 940 1HG PRO 99 1HG PRO 99 -14.670 -2.730 10.293 941 2HG PRO 99 2HG PRO 99 -14.156 -3.471 11.795 942 1HD PRO 99 1HD PRO 99 -12.505 -2.048 9.930 943 2HD PRO 99 2HD PRO 99 -11.972 -2.888 11.373 944 QB PRO 99 QB PRO 99 -14.649 -5.230 10.221 945 QG PRO 99 QG PRO 99 -14.413 -3.100 11.044 946 QD PRO 99 QD PRO 99 -12.239 -2.468 10.651 947 HA PRO 100 HA PRO 100 -13.798 -5.456 5.207 948 1HB PRO 100 1HB PRO 100 -15.998 -7.039 4.858 949 2HB PRO 100 2HB PRO 100 -14.363 -7.667 4.905 950 1HG PRO 100 1HG PRO 100 -16.462 -7.807 6.981 951 2HG PRO 100 2HG PRO 100 -15.005 -8.769 6.826 952 1HD PRO 100 1HD PRO 100 -15.442 -6.594 8.645 953 2HD PRO 100 2HD PRO 100 -13.948 -7.479 8.409 954 QB PRO 100 QB PRO 100 -15.180 -7.353 4.881 955 QG PRO 100 QG PRO 100 -15.734 -8.288 6.904 956 QD PRO 100 QD PRO 100 -14.695 -7.036 8.527 957 HA PRO 101 HA PRO 101 -16.620 -2.301 4.840 958 1HB PRO 101 1HB PRO 101 -16.575 -1.892 2.138 959 2HB PRO 101 2HB PRO 101 -15.369 -1.235 3.227 960 1HG PRO 101 2HG PRO 101 -13.861 -2.589 2.127 961 2HG PRO 101 1HG PRO 101 -15.136 -3.517 1.362 962 1HD PRO 101 1HD PRO 101 -14.758 -5.210 2.869 963 2HD PRO 101 2HD PRO 101 -13.565 -4.235 3.704 964 QB PRO 101 QB PRO 101 -15.972 -1.563 2.683 965 QG PRO 101 QG PRO 101 -14.498 -3.053 1.744 966 QD PRO 101 QD PRO 101 -14.161 -4.723 3.287 967 H ARG 102 H ARG 102 -18.409 -1.699 2.805 968 HA ARG 102 HA ARG 102 -20.235 -3.885 3.311 969 1HB ARG 102 1HB ARG 102 -20.590 -1.182 3.601 970 2HB ARG 102 2HB ARG 102 -21.182 -1.375 1.963 971 1HG ARG 102 1HG ARG 102 -22.168 -3.432 3.883 972 2HG ARG 102 2HG ARG 102 -22.695 -1.798 4.235 973 1HD ARG 102 1HD ARG 102 -22.894 -2.482 1.356 974 2HD ARG 102 2HD ARG 102 -23.876 -3.515 2.375 975 HE ARG 102 HE ARG 102 -24.192 -0.748 3.154 976 1HH1 ARG 102 1HH1 ARG 102 -25.174 -3.068 0.663 977 2HH1 ARG 102 2HH1 ARG 102 -26.640 -2.228 0.283 978 2HH2 ARG 102 HH2 ARG 102 -27.180 -0.215 1.466 979 QB ARG 102 QB ARG 102 -20.886 -1.278 2.782 980 QG ARG 102 QG ARG 102 -22.432 -2.615 4.059 981 QD ARG 102 QD ARG 102 -23.385 -2.998 1.866 982 QH1 ARG 102 QH1 ARG 102 -25.907 -2.648 0.473 983 H PHE 103 H PHE 103 -18.522 -2.099 0.758 984 HA PHE 103 HA PHE 103 -19.879 -2.536 -1.486 985 1HB PHE 103 1HB PHE 103 -16.942 -3.354 -1.127 986 2HB PHE 103 2HB PHE 103 -17.655 -2.616 -2.548 987 HD1 PHE 103 HD1 PHE 103 -18.846 -0.247 -1.975 988 HD2 PHE 103 HD2 PHE 103 -15.633 -1.991 0.180 989 HE1 PHE 103 HE1 PHE 103 -18.181 2.021 -1.130 990 HE2 PHE 103 HE2 PHE 103 -14.969 0.277 1.025 991 HZ PHE 103 HZ PHE 103 -16.251 2.256 0.360 992 QB PHE 103 QB PHE 103 -17.299 -2.985 -1.837 993 QD PHE 103 QD PHE 103 -17.240 -1.119 -0.898 994 QE PHE 103 QE PHE 103 -16.575 1.149 -0.053 995 QR PHE 103 QR PHE 103 -16.907 0.015 -0.475 996 H HIS 104 H HIS 104 -19.665 -4.213 -3.250 997 HA HIS 104 HA HIS 104 -20.414 -6.714 -2.227 998 1HB HIS 104 1HB HIS 104 -19.518 -6.394 -5.062 999 2HB HIS 104 2HB HIS 104 -20.878 -7.287 -4.412 1000 HD1 HIS 104 HD1 HIS 104 -20.115 -4.256 -6.206 1001 HD2 HIS 104 HD2 HIS 104 -22.982 -5.370 -3.354 1002 HE1 HIS 104 HE1 HIS 104 -21.992 -2.536 -6.370 1003 QB HIS 104 QB HIS 104 -20.198 -6.840 -4.737 1004 H ASP 105 H ASP 105 -19.308 -8.691 -2.092 1005 HA ASP 105 HA ASP 105 -16.554 -8.446 -1.658 1006 1HB ASP 105 1HB ASP 105 -18.620 -10.325 -1.120 1007 2HB ASP 105 2HB ASP 105 -17.455 -11.201 -2.092 1008 HD2 ASP 105 HD2 ASP 105 -16.844 -11.558 1.417 1009 QB ASP 105 QB ASP 105 -18.037 -10.763 -1.606 No H/Q in entry = 1009 Start of MODEL 15 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.634 0.761 -1.891 3 1HB LEU 7 1HB LEU 7 3.977 -0.327 -0.324 4 2HB LEU 7 2HB LEU 7 4.068 0.341 -1.941 5 HG LEU 7 HG LEU 7 3.143 1.886 0.496 6 1HD1 LEU 7 1HD1 LEU 7 5.595 1.072 0.426 7 2HD1 LEU 7 2HD1 LEU 7 5.795 2.273 -0.872 8 3HD1 LEU 7 3HD1 LEU 7 5.269 2.793 0.747 9 1HD2 LEU 7 1HD2 LEU 7 2.215 2.726 -1.606 10 2HD2 LEU 7 2HD2 LEU 7 3.399 3.863 -0.917 11 3HD2 LEU 7 3HD2 LEU 7 3.853 2.832 -2.295 12 MD1 LEU 7 MD1 LEU 7 5.553 2.046 0.100 13 MD2 LEU 7 MD2 LEU 7 3.156 3.140 -1.606 14 QB LEU 7 QB LEU 7 4.023 0.007 -1.132 15 QD LEU 7 QD LEU 7 4.354 2.593 -0.753 16 H SER 8 H SER 8 3.098 -0.755 -3.503 17 HA SER 8 HA SER 8 1.444 -2.863 -4.084 18 1HB SER 8 2HB SER 8 2.929 -3.333 -5.862 19 2HB SER 8 1HB SER 8 4.345 -2.870 -4.939 20 HG SER 8 HG SER 8 4.165 -0.957 -5.869 21 QB SER 8 QB SER 8 3.637 -3.101 -5.401 22 H LEU 9 H LEU 9 2.067 -5.250 -4.200 23 HA LEU 9 HA LEU 9 2.455 -6.349 -1.782 24 1HB LEU 9 2HB LEU 9 2.841 -8.400 -2.867 25 2HB LEU 9 1HB LEU 9 3.562 -7.631 -4.267 26 HG LEU 9 HG LEU 9 1.485 -6.924 -5.114 27 1HD1 LEU 9 1HD1 LEU 9 1.961 -9.623 -4.567 28 2HD1 LEU 9 2HD1 LEU 9 0.245 -9.366 -4.171 29 3HD1 LEU 9 3HD1 LEU 9 0.857 -8.945 -5.788 30 1HD2 LEU 9 1HD2 LEU 9 0.708 -6.162 -2.763 31 2HD2 LEU 9 2HD2 LEU 9 -0.512 -6.656 -3.962 32 3HD2 LEU 9 3HD2 LEU 9 -0.036 -7.776 -2.663 33 MD1 LEU 9 MD1 LEU 9 1.021 -9.311 -4.842 34 MD2 LEU 9 MD2 LEU 9 0.053 -6.865 -3.130 35 QB LEU 9 QB LEU 9 3.201 -8.015 -3.567 36 QD LEU 9 QD LEU 9 0.537 -8.088 -3.986 37 H THR 10 H THR 10 4.981 -5.206 -4.055 38 HA THR 10 HA THR 10 7.214 -6.311 -2.926 39 HB THR 10 HB THR 10 6.644 -3.604 -4.221 40 HG1 THR 10 HG1 THR 10 8.085 -6.045 -4.978 41 1HG2 THR 10 1HG2 THR 10 9.360 -4.920 -3.689 42 2HG2 THR 10 2HG2 THR 10 9.078 -3.423 -4.611 43 3HG2 THR 10 3HG2 THR 10 8.773 -3.459 -2.858 44 MG THR 10 MG THR 10 9.070 -3.934 -3.719 45 H GLN 11 H GLN 11 6.364 -2.878 -2.186 46 HA GLN 11 HA GLN 11 7.881 -2.859 0.105 47 1HB GLN 11 1HB GLN 11 6.081 -1.076 -1.300 48 2HB GLN 11 2HB GLN 11 5.755 -0.969 0.418 49 1HG GLN 11 1HG GLN 11 8.631 -0.936 -0.522 50 2HG GLN 11 2HG GLN 11 7.668 0.518 -0.702 51 2HE2 GLN 11 1HE2 GLN 11 9.984 -0.157 1.015 52 1HE2 GLN 11 2HE2 GLN 11 9.519 0.211 2.642 53 QB GLN 11 QB GLN 11 5.918 -1.022 -0.441 54 QG GLN 11 QG GLN 11 8.149 -0.209 -0.612 55 QE GLN 11 QE GLN 11 9.751 0.027 1.829 56 H LEU 12 H LEU 12 4.544 -3.923 -0.490 57 HA LEU 12 HA LEU 12 3.610 -3.835 2.133 58 1HB LEU 12 1HB LEU 12 2.589 -4.448 -0.313 59 2HB LEU 12 2HB LEU 12 2.671 -6.039 0.415 60 HG LEU 12 HG LEU 12 0.481 -4.833 0.669 61 1HD1 LEU 12 1HD1 LEU 12 1.356 -6.714 2.153 62 2HD1 LEU 12 2HD1 LEU 12 1.712 -5.451 3.355 63 3HD1 LEU 12 3HD1 LEU 12 0.039 -5.710 2.805 64 1HD2 LEU 12 1HD2 LEU 12 2.002 -2.669 1.377 65 2HD2 LEU 12 2HD2 LEU 12 0.256 -2.845 1.673 66 3HD2 LEU 12 3HD2 LEU 12 1.422 -3.247 2.957 67 MD1 LEU 12 MD1 LEU 12 1.036 -5.958 2.771 68 MD2 LEU 12 MD2 LEU 12 1.226 -2.920 2.002 69 QB LEU 12 QB LEU 12 2.630 -5.244 0.051 70 QD LEU 12 QD LEU 12 1.131 -4.439 2.387 71 H SER 13 H SER 13 6.129 -5.694 0.708 72 HA SER 13 HA SER 13 6.292 -7.206 3.149 73 1HB SER 13 1HB SER 13 5.387 -8.378 0.656 74 2HB SER 13 2HB SER 13 6.943 -9.067 1.072 75 HG SER 13 HG SER 13 4.531 -9.650 2.138 76 QB SER 13 QB SER 13 6.165 -8.723 0.864 77 H SER 14 H SER 14 7.703 -4.950 1.685 78 HA SER 14 HA SER 14 9.705 -4.287 1.153 79 1HB SER 14 1HB SER 14 9.983 -6.013 3.446 80 2HB SER 14 2HB SER 14 11.408 -6.216 2.447 81 HG SER 14 HG SER 14 10.355 -3.660 3.319 82 QB SER 14 QB SER 14 10.695 -6.114 2.947 83 H GLY 15 H GLY 15 8.400 -6.590 -0.428 84 1HA GLY 15 1HA GLY 15 9.110 -7.314 -2.526 85 2HA GLY 15 2HA GLY 15 10.783 -7.232 -2.009 86 QA GLY 15 QA GLY 15 9.947 -7.273 -2.268 87 H ASN 16 H ASN 16 7.821 -8.839 -0.631 88 HA ASN 16 HA ASN 16 9.315 -11.333 -0.818 89 1HB ASN 16 1HB ASN 16 8.815 -10.109 1.573 90 2HB ASN 16 2HB ASN 16 7.306 -10.983 1.401 91 2HD2 ASN 16 1HD2 ASN 16 8.693 -11.694 3.469 92 1HD2 ASN 16 2HD2 ASN 16 9.521 -13.204 3.278 93 QB ASN 16 QB ASN 16 8.060 -10.546 1.487 94 QD ASN 16 QD ASN 16 9.107 -12.449 3.373 95 HA PRO 17 HA PRO 17 5.396 -12.022 -2.873 96 1HB PRO 17 1HB PRO 17 6.232 -14.060 -4.491 97 2HB PRO 17 2HB PRO 17 6.343 -12.371 -4.942 98 1HG PRO 17 1HG PRO 17 8.494 -14.202 -4.069 99 2HG PRO 17 2HG PRO 17 8.630 -12.674 -4.917 100 1HD PRO 17 1HD PRO 17 9.139 -13.144 -2.133 101 2HD PRO 17 2HD PRO 17 9.162 -11.597 -2.956 102 QB PRO 17 QB PRO 17 6.287 -13.215 -4.717 103 QG PRO 17 QG PRO 17 8.562 -13.438 -4.493 104 QD PRO 17 QD PRO 17 9.150 -12.371 -2.545 105 H VAL 18 H VAL 18 7.236 -13.947 -0.829 106 HA VAL 18 HA VAL 18 6.027 -16.351 -0.805 107 HB VAL 18 HB VAL 18 7.869 -15.504 0.652 108 1HG1 VAL 18 1HG1 VAL 18 6.758 -13.447 1.443 109 2HG1 VAL 18 2HG1 VAL 18 5.596 -14.435 2.362 110 3HG1 VAL 18 3HG1 VAL 18 7.323 -14.459 2.794 111 1HG2 VAL 18 1HG2 VAL 18 6.158 -17.598 1.033 112 2HG2 VAL 18 2HG2 VAL 18 7.620 -17.296 2.002 113 3HG2 VAL 18 3HG2 VAL 18 6.031 -16.758 2.597 114 MG1 VAL 18 MG1 VAL 18 6.559 -14.114 2.200 115 MG2 VAL 18 MG2 VAL 18 6.603 -17.217 1.877 116 QG VAL 18 QG VAL 18 6.581 -15.666 2.038 117 H TYR 19 H TYR 19 4.614 -13.219 0.054 118 HA TYR 19 HA TYR 19 2.416 -14.212 1.506 119 1HB TYR 19 1HB TYR 19 3.210 -11.738 -0.101 120 2HB TYR 19 2HB TYR 19 1.560 -11.854 0.477 121 HD1 TYR 19 HD1 TYR 19 4.931 -12.588 1.978 122 HD2 TYR 19 HD2 TYR 19 1.190 -10.545 2.347 123 HE1 TYR 19 HE1 TYR 19 5.651 -11.663 4.234 124 HE2 TYR 19 HE2 TYR 19 1.923 -9.627 4.602 125 HH TYR 19 HH TYR 19 5.192 -10.205 5.808 126 QB TYR 19 QB TYR 19 2.385 -11.796 0.188 127 QD TYR 19 QD TYR 19 3.061 -11.566 2.163 128 QE TYR 19 QE TYR 19 3.787 -10.645 4.418 129 QR TYR 19 QR TYR 19 3.424 -11.106 3.290 130 H GLU 20 H GLU 20 2.899 -13.377 -1.985 131 HA GLU 20 HA GLU 20 0.343 -13.650 -2.822 132 1HB GLU 20 1HB GLU 20 2.966 -13.588 -4.006 133 2HB GLU 20 2HB GLU 20 2.056 -14.859 -4.799 134 1HG GLU 20 1HG GLU 20 0.457 -12.405 -4.372 135 2HG GLU 20 2HG GLU 20 1.876 -12.125 -5.362 136 HE2 GLU 20 HE2 GLU 20 1.681 -14.677 -7.100 137 QB GLU 20 QB GLU 20 2.511 -14.224 -4.402 138 QG GLU 20 QG GLU 20 1.166 -12.265 -4.867 139 H LYS 21 H LYS 21 2.665 -16.173 -1.878 140 HA LYS 21 HA LYS 21 1.422 -18.354 -3.077 141 1HB LYS 21 1HB LYS 21 3.114 -18.121 -0.574 142 2HB LYS 21 2HB LYS 21 2.612 -19.650 -1.267 143 1HG LYS 21 1HG LYS 21 3.746 -17.858 -3.309 144 2HG LYS 21 2HG LYS 21 4.877 -18.141 -2.001 145 1HD LYS 21 1HD LYS 21 3.514 -20.623 -2.803 146 2HD LYS 21 2HD LYS 21 4.336 -19.876 -4.158 147 1HE LYS 21 1HE LYS 21 6.460 -20.075 -3.168 148 2HE LYS 21 2HE LYS 21 5.822 -20.065 -1.536 149 QB LYS 21 QB LYS 21 2.863 -18.886 -0.921 150 QD LYS 21 QD LYS 21 3.925 -20.250 -3.480 151 QG LYS 21 QG LYS 21 4.312 -17.999 -2.655 152 QE LYS 21 QE LYS 21 6.141 -20.070 -2.352 153 QZ LYS 21 QZ LYS 21 5.274 -22.306 -2.264 154 H TYR 22 H TYR 22 0.898 -16.757 0.121 155 HA TYR 22 HA TYR 22 -1.115 -18.612 0.893 156 1HB TYR 22 1HB TYR 22 -0.406 -15.731 1.734 157 2HB TYR 22 2HB TYR 22 -1.412 -16.809 2.680 158 HD1 TYR 22 HD1 TYR 22 0.592 -19.222 1.750 159 HD2 TYR 22 HD2 TYR 22 0.995 -15.492 3.806 160 HE1 TYR 22 HE1 TYR 22 2.658 -20.096 2.946 161 HE2 TYR 22 HE2 TYR 22 3.060 -16.379 4.995 162 HH TYR 22 HH TYR 22 4.599 -17.977 4.972 163 QB TYR 22 QB TYR 22 -0.909 -16.270 2.207 164 QD TYR 22 QD TYR 22 0.794 -17.357 2.778 165 QE TYR 22 QE TYR 22 2.859 -18.238 3.971 166 QR TYR 22 QR TYR 22 1.826 -17.797 3.374 167 H TYR 23 H TYR 23 -1.114 -15.237 -0.429 168 HA TYR 23 HA TYR 23 -3.821 -14.768 -0.292 169 1HB TYR 23 1HB TYR 23 -2.417 -12.962 -0.975 170 2HB TYR 23 2HB TYR 23 -1.431 -13.995 -1.991 171 HD1 TYR 23 HD1 TYR 23 -4.663 -12.179 -1.805 172 HD2 TYR 23 HD2 TYR 23 -1.898 -14.257 -4.323 173 HE1 TYR 23 HE1 TYR 23 -5.905 -11.352 -3.863 174 HE2 TYR 23 HE2 TYR 23 -3.150 -13.422 -6.373 175 HH TYR 23 HH TYR 23 -5.628 -11.009 -6.113 176 QB TYR 23 QB TYR 23 -1.924 -13.479 -1.483 177 QD TYR 23 QD TYR 23 -3.280 -13.218 -3.064 178 QE TYR 23 QE TYR 23 -4.527 -12.387 -5.118 179 QR TYR 23 QR TYR 23 -3.904 -12.803 -4.091 180 H ARG 24 H ARG 24 -2.034 -16.974 -2.372 181 HA ARG 24 HA ARG 24 -4.249 -17.117 -4.204 182 1HB ARG 24 1HB ARG 24 -1.651 -17.247 -4.757 183 2HB ARG 24 2HB ARG 24 -1.814 -18.929 -4.295 184 1HG ARG 24 1HG ARG 24 -3.746 -17.700 -6.290 185 2HG ARG 24 2HG ARG 24 -2.168 -18.249 -6.816 186 1HD ARG 24 1HD ARG 24 -3.333 -20.307 -5.139 187 2HD ARG 24 2HD ARG 24 -4.522 -19.832 -6.336 188 HE ARG 24 HE ARG 24 -1.891 -20.187 -7.527 189 1HH1 ARG 24 1HH1 ARG 24 -4.763 -21.945 -6.423 190 2HH1 ARG 24 2HH1 ARG 24 -4.489 -23.298 -7.470 191 2HH2 ARG 24 HH2 ARG 24 -2.582 -23.293 -8.921 192 QB ARG 24 QB ARG 24 -1.733 -18.088 -4.526 193 QG ARG 24 QG ARG 24 -2.957 -17.975 -6.553 194 QD ARG 24 QD ARG 24 -3.928 -20.069 -5.738 195 QH1 ARG 24 QH1 ARG 24 -4.626 -22.622 -6.947 196 H GLN 25 H GLN 25 -2.938 -18.692 -1.366 197 HA GLN 25 HA GLN 25 -3.848 -21.270 -1.812 198 1HB GLN 25 1HB GLN 25 -3.071 -19.640 0.593 199 2HB GLN 25 2HB GLN 25 -3.928 -21.141 0.881 200 1HG GLN 25 1HG GLN 25 -2.054 -21.920 -1.019 201 2HG GLN 25 2HG GLN 25 -1.164 -20.705 -0.122 202 2HE2 GLN 25 1HE2 GLN 25 -2.319 -20.974 2.390 203 1HE2 GLN 25 2HE2 GLN 25 -1.886 -22.501 3.083 204 QB GLN 25 QB GLN 25 -3.499 -20.391 0.737 205 QG GLN 25 QG GLN 25 -1.609 -21.312 -0.570 206 QE GLN 25 QE GLN 25 -2.102 -21.738 2.736 207 H VAL 26 H VAL 26 -5.449 -18.312 -0.590 208 HA VAL 26 HA VAL 26 -7.791 -19.705 0.267 209 HB VAL 26 HB VAL 26 -8.511 -17.670 1.006 210 1HG1 VAL 26 1HG1 VAL 26 -6.054 -18.251 1.703 211 2HG1 VAL 26 2HG1 VAL 26 -5.641 -16.808 0.747 212 3HG1 VAL 26 3HG1 VAL 26 -6.749 -16.670 2.133 213 1HG2 VAL 26 1HG2 VAL 26 -7.246 -16.575 -1.484 214 2HG2 VAL 26 2HG2 VAL 26 -8.895 -16.357 -0.849 215 3HG2 VAL 26 3HG2 VAL 26 -7.532 -15.484 -0.108 216 MG1 VAL 26 MG1 VAL 26 -6.148 -17.243 1.528 217 MG2 VAL 26 MG2 VAL 26 -7.891 -16.139 -0.814 218 QG VAL 26 QG VAL 26 -7.019 -16.691 0.357 219 H GLU 27 H GLU 27 -6.609 -18.123 -2.703 220 HA GLU 27 HA GLU 27 -8.793 -17.575 -4.073 221 1HB GLU 27 1HB GLU 27 -6.441 -17.468 -4.929 222 2HB GLU 27 2HB GLU 27 -6.458 -19.204 -5.169 223 1HG GLU 27 1HG GLU 27 -8.794 -17.891 -6.405 224 2HG GLU 27 2HG GLU 27 -7.280 -17.267 -7.029 225 HE2 GLU 27 HE2 GLU 27 -6.858 -19.776 -9.085 226 QB GLU 27 QB GLU 27 -6.450 -18.336 -5.049 227 QG GLU 27 QG GLU 27 -8.037 -17.579 -6.717 228 H ALA 28 H ALA 28 -10.311 -18.681 -5.478 229 HA ALA 28 HA ALA 28 -10.515 -21.559 -4.909 230 1HB ALA 28 2HB ALA 28 -13.074 -20.988 -5.207 231 2HB ALA 28 1HB ALA 28 -12.554 -19.345 -4.762 232 3HB ALA 28 3HB ALA 28 -12.272 -20.701 -3.644 233 MB ALA 28 MB ALA 28 -12.634 -20.345 -4.538 234 H GLY 29 H GLY 29 -10.626 -22.847 -6.696 235 1HA GLY 29 1HA GLY 29 -11.092 -23.459 -8.838 236 2HA GLY 29 2HA GLY 29 -11.746 -21.866 -9.165 237 QA GLY 29 QA GLY 29 -11.419 -22.662 -9.001 238 H ASN 30 H ASN 30 -10.450 -22.385 -11.260 239 HA ASN 30 HA ASN 30 -7.648 -21.735 -10.849 240 1HB ASN 30 1HB ASN 30 -9.212 -23.149 -13.024 241 2HB ASN 30 2HB ASN 30 -7.726 -22.340 -13.479 242 2HD2 ASN 30 1HD2 ASN 30 -5.945 -23.464 -13.365 243 1HD2 ASN 30 2HD2 ASN 30 -5.639 -24.856 -12.382 244 QB ASN 30 QB ASN 30 -8.469 -22.745 -13.251 245 QD ASN 30 QD ASN 30 -5.792 -24.160 -12.874 246 H THR 31 H THR 31 -9.644 -19.666 -10.541 247 HA THR 31 HA THR 31 -9.687 -18.230 -13.078 248 HB THR 31 HB THR 31 -11.765 -18.403 -11.726 249 HG1 THR 31 HG1 THR 31 -10.436 -15.796 -11.500 250 1HG2 THR 31 1HG2 THR 31 -9.971 -17.892 -9.521 251 2HG2 THR 31 2HG2 THR 31 -11.094 -16.516 -9.643 252 3HG2 THR 31 3HG2 THR 31 -11.728 -18.168 -9.456 253 MG THR 31 MG THR 31 -10.931 -17.525 -9.540 254 H GLY 32 H GLY 32 -7.860 -18.417 -10.107 255 1HA GLY 32 1HA GLY 32 -5.884 -17.385 -9.653 256 2HA GLY 32 2HA GLY 32 -6.057 -16.392 -11.087 257 QA GLY 32 QA GLY 32 -5.971 -16.889 -10.370 258 H ARG 33 H ARG 33 -9.021 -16.173 -9.548 259 HA ARG 33 HA ARG 33 -8.135 -13.755 -8.200 260 1HB ARG 33 1HB ARG 33 -10.686 -14.536 -9.636 261 2HB ARG 33 2HB ARG 33 -10.775 -13.316 -8.380 262 1HG ARG 33 1HG ARG 33 -9.080 -11.939 -9.536 263 2HG ARG 33 2HG ARG 33 -8.844 -13.186 -10.744 264 1HD ARG 33 1HD ARG 33 -10.593 -12.402 -11.963 265 2HD ARG 33 2HD ARG 33 -11.677 -12.584 -10.598 266 HE ARG 33 HE ARG 33 -10.153 -10.264 -10.078 267 1HH1 ARG 33 1HH1 ARG 33 -12.465 -11.351 -12.533 268 2HH1 ARG 33 2HH1 ARG 33 -13.036 -9.753 -12.881 269 2HH2 ARG 33 HH2 ARG 33 -12.106 -7.890 -11.695 270 QB ARG 33 QB ARG 33 -10.730 -13.926 -9.008 271 QG ARG 33 QG ARG 33 -8.962 -12.562 -10.140 272 QD ARG 33 QD ARG 33 -11.135 -12.493 -11.281 273 QH1 ARG 33 QH1 ARG 33 -12.751 -10.552 -12.707 274 H VAL 34 H VAL 34 -8.868 -13.321 -6.034 275 HA VAL 34 HA VAL 34 -9.574 -15.702 -4.573 276 HB VAL 34 HB VAL 34 -8.983 -12.858 -3.731 277 1HG1 VAL 34 1HG1 VAL 34 -9.862 -15.254 -2.203 278 2HG1 VAL 34 2HG1 VAL 34 -8.527 -14.308 -1.503 279 3HG1 VAL 34 3HG1 VAL 34 -10.085 -13.522 -1.857 280 1HG2 VAL 34 1HG2 VAL 34 -7.306 -15.351 -3.991 281 2HG2 VAL 34 2HG2 VAL 34 -6.974 -13.701 -4.571 282 3HG2 VAL 34 3HG2 VAL 34 -6.870 -14.071 -2.833 283 MG1 VAL 34 MG1 VAL 34 -9.491 -14.361 -1.854 284 MG2 VAL 34 MG2 VAL 34 -7.050 -14.374 -3.798 285 QG VAL 34 QG VAL 34 -8.271 -14.368 -2.826 286 H LEU 35 H LEU 35 -11.646 -16.342 -4.326 287 HA LEU 35 HA LEU 35 -13.807 -14.735 -5.067 288 1HB LEU 35 1HB LEU 35 -13.316 -17.413 -4.115 289 2HB LEU 35 2HB LEU 35 -14.727 -16.739 -3.323 290 HG LEU 35 HG LEU 35 -14.349 -16.779 -6.328 291 1HD1 LEU 35 1HD1 LEU 35 -14.957 -18.952 -4.557 292 2HD1 LEU 35 2HD1 LEU 35 -16.388 -18.580 -5.550 293 3HD1 LEU 35 3HD1 LEU 35 -14.831 -18.942 -6.333 294 1HD2 LEU 35 1HD2 LEU 35 -16.007 -15.182 -4.930 295 2HD2 LEU 35 2HD2 LEU 35 -16.388 -15.832 -6.543 296 3HD2 LEU 35 3HD2 LEU 35 -17.038 -16.624 -5.088 297 MD1 LEU 35 MD1 LEU 35 -15.392 -18.825 -5.480 298 MD2 LEU 35 MD2 LEU 35 -16.478 -15.880 -5.520 299 QB LEU 35 QB LEU 35 -14.022 -17.076 -3.719 300 QD LEU 35 QD LEU 35 -15.935 -17.352 -5.500 301 H ALA 36 H ALA 36 -11.785 -14.614 -2.312 302 HA ALA 36 HA ALA 36 -11.864 -13.116 -0.640 303 1HB ALA 36 1HB ALA 36 -13.712 -11.996 -2.190 304 2HB ALA 36 2HB ALA 36 -14.813 -12.616 -0.936 305 3HB ALA 36 3HB ALA 36 -13.507 -11.490 -0.496 306 MB ALA 36 MB ALA 36 -14.011 -12.034 -1.207 307 H LEU 37 H LEU 37 -14.990 -14.957 -0.915 308 HA LEU 37 HA LEU 37 -15.532 -15.360 1.685 309 1HB LEU 37 1HB LEU 37 -15.955 -16.898 -0.805 310 2HB LEU 37 2HB LEU 37 -16.166 -17.791 0.688 311 HG LEU 37 HG LEU 37 -17.689 -15.757 1.368 312 1HD1 LEU 37 1HD1 LEU 37 -16.952 -14.962 -1.226 313 2HD1 LEU 37 2HD1 LEU 37 -18.649 -15.485 -1.337 314 3HD1 LEU 37 3HD1 LEU 37 -18.179 -14.231 -0.164 315 1HD2 LEU 37 1HD2 LEU 37 -18.315 -18.181 0.960 316 2HD2 LEU 37 2HD2 LEU 37 -19.598 -16.976 0.696 317 3HD2 LEU 37 3HD2 LEU 37 -18.750 -17.693 -0.695 318 MD1 LEU 37 MD1 LEU 37 -17.927 -14.892 -0.909 319 MD2 LEU 37 MD2 LEU 37 -18.888 -17.616 0.320 320 QB LEU 37 QB LEU 37 -16.061 -17.345 -0.059 321 QD LEU 37 QD LEU 37 -18.407 -16.254 -0.294 322 H ASP 38 H ASP 38 -13.092 -17.133 -0.294 323 HA ASP 38 HA ASP 38 -12.428 -18.906 1.754 324 1HB ASP 38 1HB ASP 38 -11.666 -18.394 -0.948 325 2HB ASP 38 2HB ASP 38 -10.184 -18.305 -0.018 326 HD2 ASP 38 HD2 ASP 38 -9.887 -21.684 0.024 327 QB ASP 38 QB ASP 38 -10.925 -18.349 -0.483 328 H ALA 39 H ALA 39 -11.141 -15.728 0.599 329 HA ALA 39 HA ALA 39 -8.838 -15.552 2.057 330 1HB ALA 39 3HB ALA 39 -8.850 -13.425 1.272 331 2HB ALA 39 1HB ALA 39 -10.331 -13.914 0.415 332 3HB ALA 39 2HB ALA 39 -10.445 -13.074 1.980 333 MB ALA 39 MB ALA 39 -9.876 -13.471 1.222 334 H ALA 40 H ALA 40 -12.235 -14.890 3.090 335 HA ALA 40 HA ALA 40 -11.528 -13.963 5.652 336 1HB ALA 40 2HB ALA 40 -14.147 -15.301 5.339 337 2HB ALA 40 3HB ALA 40 -13.766 -13.634 5.830 338 3HB ALA 40 1HB ALA 40 -13.802 -14.066 4.104 339 MB ALA 40 MB ALA 40 -13.905 -14.334 5.091 340 H ALA 41 H ALA 41 -11.838 -17.162 4.179 341 HA ALA 41 HA ALA 41 -12.169 -18.578 6.613 342 1HB ALA 41 1HB ALA 41 -12.254 -19.107 3.852 343 2HB ALA 41 3HB ALA 41 -12.509 -20.273 5.172 344 3HB ALA 41 2HB ALA 41 -10.889 -20.074 4.462 345 MB ALA 41 MB ALA 41 -11.884 -19.818 4.495 346 H PHE 42 H PHE 42 -9.344 -17.831 4.464 347 HA PHE 42 HA PHE 42 -7.475 -19.176 6.046 348 1HB PHE 42 1HB PHE 42 -7.058 -18.494 3.711 349 2HB PHE 42 2HB PHE 42 -7.419 -16.820 4.079 350 HD1 PHE 42 HD1 PHE 42 -4.968 -19.521 4.769 351 HD2 PHE 42 HD2 PHE 42 -5.710 -15.344 4.706 352 HE1 PHE 42 HE1 PHE 42 -2.529 -19.082 5.164 353 HE2 PHE 42 HE2 PHE 42 -3.271 -14.904 5.101 354 HZ PHE 42 HZ PHE 42 -1.709 -16.779 5.325 355 QB PHE 42 QB PHE 42 -7.239 -17.657 3.895 356 QD PHE 42 QD PHE 42 -5.339 -17.432 4.737 357 QE PHE 42 QE PHE 42 -2.900 -16.993 5.132 358 QR PHE 42 QR PHE 42 -4.119 -17.213 4.935 359 H LEU 43 H LEU 43 -8.726 -15.800 6.078 360 HA LEU 43 HA LEU 43 -6.843 -14.709 7.785 361 1HB LEU 43 1HB LEU 43 -9.748 -14.093 7.282 362 2HB LEU 43 2HB LEU 43 -8.763 -13.138 8.371 363 HG LEU 43 HG LEU 43 -8.039 -13.596 5.469 364 1HD1 LEU 43 1HD1 LEU 43 -10.305 -12.404 5.983 365 2HD1 LEU 43 2HD1 LEU 43 -9.263 -11.038 6.448 366 3HD1 LEU 43 3HD1 LEU 43 -9.174 -11.704 4.800 367 1HD2 LEU 43 1HD2 LEU 43 -6.252 -12.918 7.135 368 2HD2 LEU 43 2HD2 LEU 43 -6.468 -11.850 5.727 369 3HD2 LEU 43 3HD2 LEU 43 -7.131 -11.380 7.311 370 MD1 LEU 43 MD1 LEU 43 -9.580 -11.715 5.744 371 MD2 LEU 43 MD2 LEU 43 -6.617 -12.049 6.724 372 QB LEU 43 QB LEU 43 -9.256 -13.616 7.827 373 QD LEU 43 QD LEU 43 -8.099 -11.882 6.234 374 H LYS 44 H LYS 44 -9.940 -16.434 8.512 375 HA LYS 44 HA LYS 44 -10.011 -16.116 11.208 376 1HB LYS 44 1HB LYS 44 -10.832 -18.376 9.394 377 2HB LYS 44 2HB LYS 44 -11.037 -18.513 11.129 378 1HG LYS 44 1HG LYS 44 -11.958 -15.897 10.159 379 2HG LYS 44 2HG LYS 44 -12.770 -17.203 9.318 380 1HD LYS 44 1HD LYS 44 -12.844 -18.122 11.929 381 2HD LYS 44 2HD LYS 44 -12.950 -16.391 12.178 382 1HE LYS 44 1HE LYS 44 -14.855 -16.293 10.530 383 2HE LYS 44 2HE LYS 44 -14.768 -18.034 10.351 384 QB LYS 44 QB LYS 44 -10.935 -18.444 10.262 385 QD LYS 44 QD LYS 44 -12.897 -17.257 12.053 386 QG LYS 44 QG LYS 44 -12.364 -16.550 9.738 387 QE LYS 44 QE LYS 44 -14.812 -17.164 10.440 388 QZ LYS 44 QZ LYS 44 -15.726 -16.957 12.574 389 H LYS 45 H LYS 45 -7.645 -17.847 9.284 390 HA LYS 45 HA LYS 45 -6.709 -19.415 11.506 391 1HB LYS 45 1HB LYS 45 -5.316 -18.990 8.858 392 2HB LYS 45 2HB LYS 45 -5.150 -20.335 9.969 393 1HG LYS 45 1HG LYS 45 -7.735 -20.681 9.569 394 2HG LYS 45 2HG LYS 45 -7.496 -19.665 8.161 395 1HD LYS 45 1HD LYS 45 -5.754 -21.213 7.304 396 2HD LYS 45 2HD LYS 45 -5.898 -22.205 8.741 397 1HE LYS 45 1HE LYS 45 -8.492 -21.721 7.380 398 2HE LYS 45 2HE LYS 45 -7.332 -22.574 6.382 399 QB LYS 45 QB LYS 45 -5.233 -19.662 9.413 400 QD LYS 45 QD LYS 45 -5.826 -21.709 8.023 401 QG LYS 45 QG LYS 45 -7.615 -20.173 8.865 402 QE LYS 45 QE LYS 45 -7.912 -22.147 6.881 403 QZ LYS 45 QZ LYS 45 -8.166 -24.074 7.986 404 H SER 46 H SER 46 -6.891 -16.413 11.726 405 HA SER 46 HA SER 46 -4.080 -15.745 11.848 406 1HB SER 46 2HB SER 46 -5.762 -14.163 10.818 407 2HB SER 46 1HB SER 46 -4.790 -13.452 12.091 408 HG SER 46 HG SER 46 -7.551 -13.943 12.003 409 QB SER 46 QB SER 46 -5.276 -13.807 11.454 410 H GLY 47 H GLY 47 -6.955 -15.064 13.980 411 1HA GLY 47 1HA GLY 47 -6.562 -16.448 16.181 412 2HA GLY 47 2HA GLY 47 -5.226 -15.323 16.325 413 QA GLY 47 QA GLY 47 -5.894 -15.886 16.253 414 H LEU 48 H LEU 48 -6.895 -13.224 14.763 415 HA LEU 48 HA LEU 48 -8.011 -12.023 17.088 416 1HB LEU 48 1HB LEU 48 -7.769 -11.280 14.190 417 2HB LEU 48 2HB LEU 48 -8.778 -10.336 15.268 418 HG LEU 48 HG LEU 48 -5.915 -10.897 16.002 419 1HD1 LEU 48 1HD1 LEU 48 -6.712 -9.534 13.630 420 2HD1 LEU 48 2HD1 LEU 48 -6.087 -8.329 14.780 421 3HD1 LEU 48 3HD1 LEU 48 -5.082 -9.723 14.318 422 1HD2 LEU 48 1HD2 LEU 48 -7.738 -9.816 17.520 423 2HD2 LEU 48 2HD2 LEU 48 -6.106 -9.109 17.450 424 3HD2 LEU 48 3HD2 LEU 48 -7.438 -8.365 16.534 425 MD1 LEU 48 MD1 LEU 48 -5.960 -9.196 14.242 426 MD2 LEU 48 MD2 LEU 48 -7.094 -9.097 17.168 427 QB LEU 48 QB LEU 48 -8.273 -10.808 14.729 428 QD LEU 48 QD LEU 48 -6.527 -9.146 15.705 429 HA PRO 49 HA PRO 49 -12.120 -13.275 16.687 430 1HB PRO 49 1HB PRO 49 -13.533 -11.111 17.575 431 2HB PRO 49 2HB PRO 49 -12.734 -12.241 18.651 432 1HG PRO 49 1HG PRO 49 -11.918 -9.499 17.903 433 2HG PRO 49 2HG PRO 49 -11.392 -10.468 19.265 434 1HD PRO 49 1HD PRO 49 -9.927 -9.962 16.852 435 2HD PRO 49 2HD PRO 49 -9.452 -11.023 18.163 436 QB PRO 49 QB PRO 49 -13.133 -11.676 18.113 437 QG PRO 49 QG PRO 49 -11.655 -9.984 18.584 438 QD PRO 49 QD PRO 49 -9.690 -10.493 17.508 439 H ASP 50 H ASP 50 -14.420 -12.723 15.842 440 HA ASP 50 HA ASP 50 -13.969 -12.145 13.123 441 1HB ASP 50 1HB ASP 50 -16.613 -12.345 14.639 442 2HB ASP 50 2HB ASP 50 -16.416 -12.474 12.903 443 HD2 ASP 50 HD2 ASP 50 -17.645 -14.411 13.976 444 QB ASP 50 QB ASP 50 -16.515 -12.409 13.771 445 H LEU 51 H LEU 51 -15.201 -10.434 16.014 446 HA LEU 51 HA LEU 51 -16.492 -8.319 14.743 447 1HB LEU 51 1HB LEU 51 -17.045 -8.203 16.886 448 2HB LEU 51 2HB LEU 51 -15.599 -9.043 17.409 449 HG LEU 51 HG LEU 51 -14.330 -6.904 17.242 450 1HD1 LEU 51 1HD1 LEU 51 -15.890 -5.869 15.556 451 2HD1 LEU 51 2HD1 LEU 51 -17.016 -5.557 16.899 452 3HD1 LEU 51 3HD1 LEU 51 -15.399 -4.811 16.900 453 1HD2 LEU 51 1HD2 LEU 51 -16.053 -7.787 19.240 454 2HD2 LEU 51 2HD2 LEU 51 -14.751 -6.585 19.403 455 3HD2 LEU 51 3HD2 LEU 51 -16.418 -6.052 19.078 456 MD1 LEU 51 MD1 LEU 51 -16.102 -5.412 16.452 457 MD2 LEU 51 MD2 LEU 51 -15.741 -6.808 19.240 458 QB LEU 51 QB LEU 51 -16.322 -8.623 17.148 459 QD LEU 51 QD LEU 51 -15.921 -6.110 17.846 460 H ILE 52 H ILE 52 -13.159 -8.370 16.204 461 HA ILE 52 HA ILE 52 -12.392 -5.927 15.164 462 HB ILE 52 HB ILE 52 -10.752 -8.359 15.882 463 1HG1 ILE 52 1HG1 ILE 52 -12.317 -7.236 17.610 464 2HG1 ILE 52 2HG1 ILE 52 -10.655 -7.568 18.055 465 1HG2 ILE 52 1HG2 ILE 52 -9.982 -5.685 14.882 466 2HG2 ILE 52 2HG2 ILE 52 -9.103 -6.259 16.319 467 3HG2 ILE 52 3HG2 ILE 52 -9.109 -7.235 14.830 468 1HD1 ILE 52 1HD1 ILE 52 -10.902 -4.946 16.757 469 2HD1 ILE 52 2HD1 ILE 52 -11.944 -5.079 18.194 470 3HD1 ILE 52 3HD1 ILE 52 -10.193 -5.363 18.336 471 MG ILE 52 MG ILE 52 -9.398 -6.393 15.344 472 MD ILE 52 MD ILE 52 -11.013 -5.129 17.762 473 QG ILE 52 QG ILE 52 -11.486 -7.402 17.833 474 H LEU 53 H LEU 53 -12.414 -9.202 13.721 475 HA LEU 53 HA LEU 53 -10.832 -8.594 11.500 476 1HB LEU 53 1HB LEU 53 -12.789 -10.702 12.260 477 2HB LEU 53 2HB LEU 53 -12.392 -10.544 10.560 478 HG LEU 53 HG LEU 53 -10.266 -10.831 12.689 479 1HD1 LEU 53 1HD1 LEU 53 -12.169 -12.818 11.813 480 2HD1 LEU 53 2HD1 LEU 53 -10.516 -13.282 11.341 481 3HD1 LEU 53 3HD1 LEU 53 -10.889 -12.930 13.046 482 1HD2 LEU 53 1HD2 LEU 53 -10.157 -10.250 9.942 483 2HD2 LEU 53 2HD2 LEU 53 -8.810 -10.683 11.021 484 3HD2 LEU 53 3HD2 LEU 53 -9.655 -11.950 10.100 485 MD1 LEU 53 MD1 LEU 53 -11.191 -13.010 12.067 486 MD2 LEU 53 MD2 LEU 53 -9.541 -10.961 10.355 487 QB LEU 53 QB LEU 53 -12.591 -10.623 11.410 488 QD LEU 53 QD LEU 53 -10.366 -11.985 11.211 489 H GLY 54 H GLY 54 -14.436 -8.576 11.939 490 1HA GLY 54 1HA GLY 54 -15.342 -7.898 9.516 491 2HA GLY 54 2HA GLY 54 -15.964 -7.189 10.993 492 QA GLY 54 QA GLY 54 -15.653 -7.543 10.254 493 H LYS 55 H LYS 55 -13.745 -5.624 11.848 494 HA LYS 55 HA LYS 55 -14.120 -3.334 10.299 495 1HB LYS 55 1HB LYS 55 -12.256 -4.114 12.528 496 2HB LYS 55 2HB LYS 55 -12.039 -2.585 11.701 497 1HG LYS 55 1HG LYS 55 -14.801 -2.651 12.157 498 2HG LYS 55 2HG LYS 55 -14.153 -3.409 13.599 499 1HD LYS 55 1HD LYS 55 -12.587 -1.456 13.892 500 2HD LYS 55 2HD LYS 55 -13.303 -0.692 12.486 501 1HE LYS 55 1HE LYS 55 -15.493 -1.433 14.160 502 2HE LYS 55 2HE LYS 55 -14.284 -0.757 15.234 503 QB LYS 55 QB LYS 55 -12.148 -3.349 12.115 504 QD LYS 55 QD LYS 55 -12.945 -1.074 13.189 505 QG LYS 55 QG LYS 55 -14.477 -3.030 12.878 506 QE LYS 55 QE LYS 55 -14.889 -1.095 14.697 507 QZ LYS 55 QZ LYS 55 -15.317 0.989 14.020 508 H ILE 56 H ILE 56 -11.410 -5.725 10.456 509 HA ILE 56 HA ILE 56 -9.689 -4.451 8.732 510 HB ILE 56 HB ILE 56 -10.197 -7.343 9.371 511 1HG1 ILE 56 1HG1 ILE 56 -8.103 -5.311 10.171 512 2HG1 ILE 56 2HG1 ILE 56 -9.286 -6.098 11.197 513 1HG2 ILE 56 1HG2 ILE 56 -8.786 -6.333 7.081 514 2HG2 ILE 56 2HG2 ILE 56 -7.636 -7.094 8.206 515 3HG2 ILE 56 3HG2 ILE 56 -9.036 -8.015 7.606 516 1HD1 ILE 56 1HD1 ILE 56 -8.040 -8.299 10.133 517 2HD1 ILE 56 2HD1 ILE 56 -6.696 -7.132 10.150 518 3HD1 ILE 56 3HD1 ILE 56 -7.552 -7.526 11.660 519 MG ILE 56 MG ILE 56 -8.486 -7.147 7.631 520 MD ILE 56 MD ILE 56 -7.429 -7.652 10.648 521 QG ILE 56 QG ILE 56 -8.694 -5.704 10.684 522 H TRP 57 H TRP 57 -12.216 -6.937 7.927 523 HA TRP 57 HA TRP 57 -11.849 -6.871 5.191 524 1HB TRP 57 1HB TRP 57 -13.218 -8.472 6.616 525 2HB TRP 57 2HB TRP 57 -14.501 -7.279 6.568 526 HD1 TRP 57 HD1 TRP 57 -15.610 -6.807 4.062 527 HE1 TRP 57 HE1 TRP 57 -15.872 -8.300 1.902 528 HE3 TRP 57 HE3 TRP 57 -12.065 -10.218 5.350 529 HZ2 TRP 57 HZ2 TRP 57 -14.595 -10.686 0.994 530 HZ3 TRP 57 HZ3 TRP 57 -11.635 -12.098 3.771 531 HH2 TRP 57 HH2 TRP 57 -12.833 -12.363 1.657 532 QB TRP 57 QB TRP 57 -13.859 -7.876 6.592 533 H ASP 58 H ASP 58 -14.248 -5.050 7.240 534 HA ASP 58 HA ASP 58 -15.462 -3.609 5.371 535 1HB ASP 58 1HB ASP 58 -15.352 -3.533 8.096 536 2HB ASP 58 2HB ASP 58 -14.493 -2.046 7.746 537 HD2 ASP 58 HD2 ASP 58 -17.865 -3.183 6.477 538 QB ASP 58 QB ASP 58 -14.923 -2.790 7.921 539 H LEU 59 H LEU 59 -12.262 -2.913 6.937 540 HA LEU 59 HA LEU 59 -11.846 -0.519 5.458 541 1HB LEU 59 1HB LEU 59 -10.877 -0.734 7.614 542 2HB LEU 59 2HB LEU 59 -10.097 -2.248 7.199 543 HG LEU 59 HG LEU 59 -8.647 -0.145 7.333 544 1HD1 LEU 59 1HD1 LEU 59 -8.487 -2.463 5.751 545 2HD1 LEU 59 2HD1 LEU 59 -7.955 -1.121 4.709 546 3HD1 LEU 59 3HD1 LEU 59 -7.157 -1.402 6.275 547 1HD2 LEU 59 1HD2 LEU 59 -10.229 0.446 4.846 548 2HD2 LEU 59 2HD2 LEU 59 -9.788 1.520 6.195 549 3HD2 LEU 59 3HD2 LEU 59 -8.552 1.020 5.015 550 MD1 LEU 59 MD1 LEU 59 -7.866 -1.662 5.578 551 MD2 LEU 59 MD2 LEU 59 -9.523 0.995 5.352 552 QB LEU 59 QB LEU 59 -10.487 -1.491 7.407 553 QD LEU 59 QD LEU 59 -8.694 -0.333 5.465 554 H ALA 60 H ALA 60 -11.193 -3.980 4.998 555 HA ALA 60 HA ALA 60 -9.271 -3.639 2.951 556 1HB ALA 60 2HB ALA 60 -10.925 -6.082 2.889 557 2HB ALA 60 3HB ALA 60 -9.165 -5.897 3.084 558 3HB ALA 60 1HB ALA 60 -10.240 -5.718 4.491 559 MB ALA 60 MB ALA 60 -10.110 -5.899 3.488 560 H ASP 61 H ASP 61 -12.694 -4.857 2.729 561 HA ASP 61 HA ASP 61 -13.046 -4.853 0.138 562 1HB ASP 61 1HB ASP 61 -14.817 -5.289 1.851 563 2HB ASP 61 2HB ASP 61 -14.968 -3.567 2.135 564 HD2 ASP 61 HD2 ASP 61 -16.939 -5.713 0.001 565 QB ASP 61 QB ASP 61 -14.893 -4.428 1.993 566 H THR 62 H THR 62 -12.928 -3.365 -1.566 567 HA THR 62 HA THR 62 -13.622 -0.616 -1.181 568 HB THR 62 HB THR 62 -10.701 -1.469 -1.506 569 HG1 THR 62 HG1 THR 62 -10.634 -0.431 0.521 570 1HG2 THR 62 1HG2 THR 62 -11.970 1.314 -1.713 571 2HG2 THR 62 2HG2 THR 62 -10.223 0.979 -1.646 572 3HG2 THR 62 3HG2 THR 62 -11.178 0.444 -3.049 573 MG THR 62 MG THR 62 -11.123 0.912 -2.136 574 H ASP 63 H ASP 63 -11.987 -3.103 -3.216 575 HA ASP 63 HA ASP 63 -12.148 -1.897 -5.605 576 1HB ASP 63 1HB ASP 63 -11.290 -4.250 -4.992 577 2HB ASP 63 2HB ASP 63 -12.946 -4.804 -5.141 578 HD2 ASP 63 HD2 ASP 63 -10.196 -3.894 -6.795 579 QB ASP 63 QB ASP 63 -12.118 -4.527 -5.067 580 H GLY 64 H GLY 64 -14.702 -3.862 -3.915 581 1HA GLY 64 1HA GLY 64 -16.947 -2.682 -4.158 582 2HA GLY 64 2HA GLY 64 -16.688 -2.905 -5.877 583 QA GLY 64 QA GLY 64 -16.817 -2.793 -5.018 584 H LYS 65 H LYS 65 -15.719 -5.397 -6.255 585 HA LYS 65 HA LYS 65 -17.954 -7.023 -5.461 586 1HB LYS 65 1HB LYS 65 -16.317 -6.864 -7.702 587 2HB LYS 65 2HB LYS 65 -15.792 -8.345 -6.926 588 1HG LYS 65 1HG LYS 65 -18.756 -7.917 -7.058 589 2HG LYS 65 2HG LYS 65 -17.955 -8.203 -8.590 590 1HD LYS 65 1HD LYS 65 -17.368 -10.382 -8.047 591 2HD LYS 65 2HD LYS 65 -17.164 -10.023 -6.344 592 1HE LYS 65 1HE LYS 65 -19.312 -10.613 -5.856 593 2HE LYS 65 2HE LYS 65 -19.960 -9.659 -7.175 594 QB LYS 65 QB LYS 65 -16.054 -7.605 -7.314 595 QD LYS 65 QD LYS 65 -17.266 -10.202 -7.196 596 QG LYS 65 QG LYS 65 -18.356 -8.060 -7.824 597 QE LYS 65 QE LYS 65 -19.636 -10.136 -6.516 598 QZ LYS 65 QZ LYS 65 -19.055 -12.085 -7.834 599 H GLY 66 H GLY 66 -17.907 -8.858 -4.127 600 1HA GLY 66 1HA GLY 66 -16.515 -8.860 -1.836 601 2HA GLY 66 2HA GLY 66 -17.076 -10.327 -2.614 602 QA GLY 66 QA GLY 66 -16.795 -9.593 -2.225 603 H VAL 67 H VAL 67 -15.456 -10.461 -4.919 604 HA VAL 67 HA VAL 67 -13.269 -11.783 -4.125 605 HB VAL 67 HB VAL 67 -13.414 -9.977 -6.546 606 1HG1 VAL 67 1HG1 VAL 67 -11.254 -11.365 -5.728 607 2HG1 VAL 67 2HG1 VAL 67 -12.097 -12.644 -6.635 608 3HG1 VAL 67 3HG1 VAL 67 -11.663 -11.118 -7.443 609 1HG2 VAL 67 1HG2 VAL 67 -14.826 -12.508 -5.855 610 2HG2 VAL 67 2HG2 VAL 67 -15.326 -11.162 -6.907 611 3HG2 VAL 67 3HG2 VAL 67 -14.168 -12.375 -7.503 612 MG1 VAL 67 MG1 VAL 67 -11.671 -11.709 -6.602 613 MG2 VAL 67 MG2 VAL 67 -14.773 -12.015 -6.755 614 QG VAL 67 QG VAL 67 -13.222 -11.862 -6.679 615 H LEU 68 H LEU 68 -11.042 -11.350 -3.734 616 HA LEU 68 HA LEU 68 -10.604 -8.614 -2.796 617 1HB LEU 68 1HB LEU 68 -9.153 -11.186 -2.154 618 2HB LEU 68 2HB LEU 68 -8.762 -9.608 -1.500 619 HG LEU 68 HG LEU 68 -11.212 -11.291 -0.977 620 1HD1 LEU 68 1HD1 LEU 68 -9.127 -11.694 0.334 621 2HD1 LEU 68 2HD1 LEU 68 -9.242 -10.026 0.943 622 3HD1 LEU 68 3HD1 LEU 68 -10.526 -11.200 1.317 623 1HD2 LEU 68 1HD2 LEU 68 -10.833 -8.337 -0.507 624 2HD2 LEU 68 2HD2 LEU 68 -12.203 -9.190 -1.259 625 3HD2 LEU 68 3HD2 LEU 68 -11.928 -9.318 0.495 626 MD1 LEU 68 MD1 LEU 68 -9.632 -10.973 0.865 627 MD2 LEU 68 MD2 LEU 68 -11.655 -8.948 -0.424 628 QB LEU 68 QB LEU 68 -8.957 -10.397 -1.827 629 QD LEU 68 QD LEU 68 -10.643 -9.961 0.221 630 H SER 69 H SER 69 -7.968 -8.216 -2.892 631 HA SER 69 HA SER 69 -7.138 -8.931 -5.578 632 1HB SER 69 2HB SER 69 -7.012 -6.784 -6.355 633 2HB SER 69 1HB SER 69 -6.462 -6.149 -4.817 634 HG SER 69 HG SER 69 -8.857 -6.651 -4.165 635 QB SER 69 QB SER 69 -6.737 -6.467 -5.586 636 H LYS 70 H LYS 70 -4.722 -8.428 -5.905 637 HA LYS 70 HA LYS 70 -3.171 -9.653 -4.089 638 1HB LYS 70 1HB LYS 70 -1.307 -8.100 -5.092 639 2HB LYS 70 2HB LYS 70 -2.118 -9.288 -6.091 640 1HG LYS 70 1HG LYS 70 -3.144 -7.695 -7.378 641 2HG LYS 70 2HG LYS 70 -3.559 -6.705 -5.993 642 1HD LYS 70 1HD LYS 70 -0.950 -6.186 -5.937 643 2HD LYS 70 2HD LYS 70 -0.995 -6.726 -7.603 644 1HE LYS 70 1HE LYS 70 -3.101 -4.750 -6.755 645 2HE LYS 70 2HE LYS 70 -1.461 -4.150 -6.894 646 QB LYS 70 QB LYS 70 -1.713 -8.694 -5.592 647 QD LYS 70 QD LYS 70 -0.972 -6.456 -6.770 648 QG LYS 70 QG LYS 70 -3.352 -7.200 -6.685 649 QE LYS 70 QE LYS 70 -2.281 -4.450 -6.825 650 QZ LYS 70 QZ LYS 70 -2.345 -4.388 -9.058 651 H GLN 71 H GLN 71 -2.584 -6.122 -4.396 652 HA GLN 71 HA GLN 71 -1.542 -5.753 -1.978 653 1HB GLN 71 1HB GLN 71 -2.478 -4.111 -4.063 654 2HB GLN 71 2HB GLN 71 -3.318 -3.511 -2.647 655 1HG GLN 71 1HG GLN 71 -0.544 -4.053 -1.955 656 2HG GLN 71 2HG GLN 71 -0.594 -3.050 -3.391 657 2HE2 GLN 71 1HE2 GLN 71 -0.533 -3.030 -0.116 658 1HE2 GLN 71 2HE2 GLN 71 -1.210 -1.474 0.231 659 QB GLN 71 QB GLN 71 -2.898 -3.811 -3.355 660 QG GLN 71 QG GLN 71 -0.569 -3.552 -2.673 661 QE GLN 71 QE GLN 71 -0.872 -2.252 0.058 662 H GLU 72 H GLU 72 -5.074 -5.430 -2.772 663 HA GLU 72 HA GLU 72 -6.068 -4.665 -0.443 664 1HB GLU 72 1HB GLU 72 -7.026 -6.524 -2.578 665 2HB GLU 72 2HB GLU 72 -7.923 -6.570 -1.073 666 1HG GLU 72 1HG GLU 72 -7.289 -3.825 -2.044 667 2HG GLU 72 2HG GLU 72 -8.349 -4.738 -3.099 668 HE2 GLU 72 HE2 GLU 72 -9.134 -5.069 0.621 669 QB GLU 72 QB GLU 72 -7.474 -6.547 -1.826 670 QG GLU 72 QG GLU 72 -7.819 -4.281 -2.571 671 H PHE 73 H PHE 73 -5.970 -8.221 -1.211 672 HA PHE 73 HA PHE 73 -6.387 -9.095 1.341 673 1HB PHE 73 1HB PHE 73 -6.448 -10.637 -0.523 674 2HB PHE 73 2HB PHE 73 -4.891 -10.102 -1.122 675 HD1 PHE 73 HD1 PHE 73 -2.821 -10.689 0.290 676 HD2 PHE 73 HD2 PHE 73 -6.601 -12.544 0.818 677 HE1 PHE 73 HE1 PHE 73 -1.712 -12.620 1.448 678 HE2 PHE 73 HE2 PHE 73 -5.492 -14.475 1.976 679 HZ PHE 73 HZ PHE 73 -3.060 -14.490 2.277 680 QB PHE 73 QB PHE 73 -5.669 -10.370 -0.822 681 QD PHE 73 QD PHE 73 -4.711 -11.617 0.554 682 QE PHE 73 QE PHE 73 -3.602 -13.548 1.712 683 QR PHE 73 QR PHE 73 -4.156 -12.582 1.133 684 H PHE 74 H PHE 74 -3.266 -8.272 -0.282 685 HA PHE 74 HA PHE 74 -1.575 -9.207 1.693 686 1HB PHE 74 1HB PHE 74 -1.623 -7.271 -0.584 687 2HB PHE 74 2HB PHE 74 -0.434 -6.847 0.632 688 HD1 PHE 74 HD1 PHE 74 -1.570 -9.797 -1.353 689 HD2 PHE 74 HD2 PHE 74 1.676 -7.781 0.493 690 HE1 PHE 74 HE1 PHE 74 0.025 -11.472 -2.328 691 HE2 PHE 74 HE2 PHE 74 3.270 -9.456 -0.482 692 HZ PHE 74 HZ PHE 74 2.426 -11.282 -1.881 693 QB PHE 74 QB PHE 74 -1.029 -7.059 0.024 694 QD PHE 74 QD PHE 74 0.053 -8.789 -0.430 695 QE PHE 74 QE PHE 74 1.647 -10.464 -1.405 696 QR PHE 74 QR PHE 74 0.850 -9.627 -0.918 697 H VAL 75 H VAL 75 -3.505 -6.208 1.488 698 HA VAL 75 HA VAL 75 -2.128 -4.897 3.598 699 HB VAL 75 HB VAL 75 -4.542 -4.478 1.926 700 1HG1 VAL 75 1HG1 VAL 75 -5.480 -4.171 4.167 701 2HG1 VAL 75 2HG1 VAL 75 -4.162 -3.048 4.579 702 3HG1 VAL 75 3HG1 VAL 75 -5.341 -2.612 3.319 703 1HG2 VAL 75 1HG2 VAL 75 -2.366 -3.545 1.293 704 2HG2 VAL 75 2HG2 VAL 75 -3.534 -2.249 1.648 705 3HG2 VAL 75 3HG2 VAL 75 -2.280 -2.667 2.840 706 MG1 VAL 75 MG1 VAL 75 -4.994 -3.277 4.022 707 MG2 VAL 75 MG2 VAL 75 -2.727 -2.820 1.927 708 QG VAL 75 QG VAL 75 -3.861 -3.049 2.974 709 H ALA 76 H ALA 76 -5.302 -6.646 3.349 710 HA ALA 76 HA ALA 76 -6.091 -6.398 5.954 711 1HB ALA 76 2HB ALA 76 -6.401 -8.863 4.195 712 2HB ALA 76 3HB ALA 76 -7.473 -8.343 5.518 713 3HB ALA 76 1HB ALA 76 -7.371 -7.380 4.025 714 MB ALA 76 MB ALA 76 -7.082 -8.195 4.579 715 H LEU 77 H LEU 77 -3.591 -8.507 4.519 716 HA LEU 77 HA LEU 77 -3.294 -10.312 6.581 717 1HB LEU 77 1HB LEU 77 -1.872 -9.471 4.230 718 2HB LEU 77 2HB LEU 77 -0.735 -9.724 5.539 719 HG LEU 77 HG LEU 77 -2.727 -11.739 4.466 720 1HD1 LEU 77 1HD1 LEU 77 -0.527 -11.109 3.203 721 2HD1 LEU 77 2HD1 LEU 77 0.252 -12.090 4.467 722 3HD1 LEU 77 3HD1 LEU 77 -0.984 -12.816 3.412 723 1HD2 LEU 77 1HD2 LEU 77 -1.030 -11.745 6.930 724 2HD2 LEU 77 2HD2 LEU 77 -2.671 -12.380 6.664 725 3HD2 LEU 77 3HD2 LEU 77 -1.262 -13.267 6.036 726 MD1 LEU 77 MD1 LEU 77 -0.419 -12.005 3.694 727 MD2 LEU 77 MD2 LEU 77 -1.654 -12.464 6.543 728 QB LEU 77 QB LEU 77 -1.303 -9.598 4.885 729 QD LEU 77 QD LEU 77 -1.037 -12.235 5.118 730 H ARG 78 H ARG 78 -1.058 -7.501 6.044 731 HA ARG 78 HA ARG 78 0.017 -7.591 8.532 732 1HB ARG 78 1HB ARG 78 -0.244 -5.520 6.381 733 2HB ARG 78 2HB ARG 78 0.182 -4.903 7.965 734 1HG ARG 78 1HG ARG 78 2.185 -5.495 6.550 735 2HG ARG 78 2HG ARG 78 2.148 -6.334 8.088 736 1HD ARG 78 1HD ARG 78 0.747 -7.779 5.895 737 2HD ARG 78 2HD ARG 78 2.464 -7.563 5.620 738 HE ARG 78 HE ARG 78 1.222 -9.228 7.686 739 1HH1 ARG 78 1HH1 ARG 78 4.178 -7.515 6.746 740 2HH1 ARG 78 2HH1 ARG 78 5.208 -8.492 7.738 741 2HH2 ARG 78 HH2 ARG 78 4.247 -10.252 9.051 742 QB ARG 78 QB ARG 78 -0.031 -5.212 7.173 743 QG ARG 78 QG ARG 78 2.167 -5.914 7.319 744 QD ARG 78 QD ARG 78 1.606 -7.671 5.757 745 QH1 ARG 78 QH1 ARG 78 4.693 -8.004 7.242 746 H LEU 79 H LEU 79 -2.908 -5.846 7.345 747 HA LEU 79 HA LEU 79 -3.468 -4.182 9.384 748 1HB LEU 79 1HB LEU 79 -4.745 -4.924 7.186 749 2HB LEU 79 2HB LEU 79 -5.680 -5.878 8.320 750 HG LEU 79 HG LEU 79 -5.340 -2.869 8.325 751 1HD1 LEU 79 1HD1 LEU 79 -6.872 -3.810 6.615 752 2HD1 LEU 79 2HD1 LEU 79 -7.825 -4.554 7.921 753 3HD1 LEU 79 3HD1 LEU 79 -7.693 -2.782 7.814 754 1HD2 LEU 79 1HD2 LEU 79 -6.073 -4.687 10.488 755 2HD2 LEU 79 2HD2 LEU 79 -5.672 -2.953 10.527 756 3HD2 LEU 79 3HD2 LEU 79 -7.331 -3.474 10.150 757 MD1 LEU 79 MD1 LEU 79 -7.463 -3.716 7.450 758 MD2 LEU 79 MD2 LEU 79 -6.359 -3.705 10.388 759 QB LEU 79 QB LEU 79 -5.212 -5.401 7.753 760 QD LEU 79 QD LEU 79 -6.911 -3.710 8.919 761 H VAL 80 H VAL 80 -3.959 -7.753 9.316 762 HA VAL 80 HA VAL 80 -5.285 -7.930 11.759 763 HB VAL 80 HB VAL 80 -3.560 -9.826 10.172 764 1HG1 VAL 80 1HG1 VAL 80 -3.518 -10.340 12.655 765 2HG1 VAL 80 2HG1 VAL 80 -5.274 -10.609 12.546 766 3HG1 VAL 80 3HG1 VAL 80 -4.157 -11.631 11.609 767 1HG2 VAL 80 1HG2 VAL 80 -6.013 -8.915 9.577 768 2HG2 VAL 80 2HG2 VAL 80 -5.484 -10.573 9.203 769 3HG2 VAL 80 3HG2 VAL 80 -6.470 -10.258 10.651 770 MG1 VAL 80 MG1 VAL 80 -4.316 -10.860 12.270 771 MG2 VAL 80 MG2 VAL 80 -5.989 -9.915 9.811 772 QG VAL 80 QG VAL 80 -5.153 -10.388 11.040 773 H ALA 81 H ALA 81 -1.761 -8.189 10.935 774 HA ALA 81 HA ALA 81 -0.895 -8.627 13.544 775 1HB ALA 81 2HB ALA 81 0.855 -7.048 11.733 776 2HB ALA 81 3HB ALA 81 1.168 -8.583 12.576 777 3HB ALA 81 1HB ALA 81 0.235 -8.575 11.061 778 MB ALA 81 MB ALA 81 0.753 -8.069 11.790 779 H CYS 82 H CYS 82 -2.183 -5.787 11.963 780 HA CYS 82 HA CYS 82 -0.876 -3.853 13.518 781 1HB CYS 82 1HB CYS 82 -2.519 -3.787 11.330 782 2HB CYS 82 2HB CYS 82 -3.610 -3.218 12.577 783 HG CYS 82 HG CYS 82 -0.723 -2.086 12.326 784 QB CYS 82 QB CYS 82 -3.064 -3.502 11.953 785 H ALA 83 H ALA 83 -4.305 -5.095 13.651 786 HA ALA 83 HA ALA 83 -4.891 -3.971 16.122 787 1HB ALA 83 1HB ALA 83 -5.996 -6.295 14.522 788 2HB ALA 83 3HB ALA 83 -6.689 -4.672 14.756 789 3HB ALA 83 2HB ALA 83 -6.684 -5.839 16.099 790 MB ALA 83 MB ALA 83 -6.457 -5.602 15.126 791 H GLN 84 H GLN 84 -2.915 -6.721 15.237 792 HA GLN 84 HA GLN 84 -3.224 -8.137 17.635 793 1HB GLN 84 1HB GLN 84 -1.038 -8.135 15.514 794 2HB GLN 84 2HB GLN 84 -1.039 -9.240 16.874 795 1HG GLN 84 1HG GLN 84 -3.671 -9.252 15.635 796 2HG GLN 84 2HG GLN 84 -2.454 -9.505 14.399 797 2HE2 GLN 84 1HE2 GLN 84 -0.504 -10.887 15.503 798 1HE2 GLN 84 2HE2 GLN 84 -1.023 -12.420 16.121 799 QB GLN 84 QB GLN 84 -1.038 -8.687 16.194 800 QG GLN 84 QG GLN 84 -3.062 -9.379 15.017 801 QE GLN 84 QE GLN 84 -0.763 -11.653 15.812 802 H ASN 85 H ASN 85 -1.910 -5.090 17.032 803 HA ASN 85 HA ASN 85 -0.005 -5.406 19.214 804 1HB ASN 85 1HB ASN 85 0.579 -4.420 16.773 805 2HB ASN 85 2HB ASN 85 -0.087 -2.945 17.447 806 2HD2 ASN 85 1HD2 ASN 85 1.273 -1.652 18.403 807 1HD2 ASN 85 2HD2 ASN 85 2.775 -2.070 19.157 808 QB ASN 85 QB ASN 85 0.246 -3.683 17.110 809 QD ASN 85 QD ASN 85 2.024 -1.861 18.780 810 H GLY 86 H GLY 86 -2.851 -3.711 17.893 811 1HA GLY 86 1HA GLY 86 -4.408 -2.996 19.693 812 2HA GLY 86 2HA GLY 86 -3.054 -2.122 20.382 813 QA GLY 86 QA GLY 86 -3.731 -2.559 20.037 814 H LEU 87 H LEU 87 -2.630 -2.055 17.033 815 HA LEU 87 HA LEU 87 -3.411 0.696 16.933 816 1HB LEU 87 1HB LEU 87 -2.331 -1.109 14.766 817 2HB LEU 87 2HB LEU 87 -2.449 0.638 14.701 818 HG LEU 87 HG LEU 87 -0.768 -0.840 16.740 819 1HD1 LEU 87 1HD1 LEU 87 -0.202 -0.116 13.913 820 2HD1 LEU 87 2HD1 LEU 87 1.080 0.206 15.107 821 3HD1 LEU 87 3HD1 LEU 87 0.434 -1.442 14.916 822 1HD2 LEU 87 1HD2 LEU 87 -1.576 1.873 16.512 823 2HD2 LEU 87 2HD2 LEU 87 -0.442 1.142 17.673 824 3HD2 LEU 87 3HD2 LEU 87 0.160 1.793 16.130 825 MD1 LEU 87 MD1 LEU 87 0.437 -0.451 14.645 826 MD2 LEU 87 MD2 LEU 87 -0.619 1.603 16.772 827 QB LEU 87 QB LEU 87 -2.390 -0.236 14.733 828 QD LEU 87 QD LEU 87 -0.091 0.576 15.709 829 H GLU 88 H GLU 88 -5.039 1.639 15.622 830 HA GLU 88 HA GLU 88 -7.440 0.519 15.646 831 1HB GLU 88 1HB GLU 88 -6.471 2.874 14.741 832 2HB GLU 88 2HB GLU 88 -6.808 2.129 13.191 833 1HG GLU 88 1HG GLU 88 -9.065 2.337 13.454 834 2HG GLU 88 2HG GLU 88 -9.018 1.718 15.092 835 HE2 GLU 88 HE2 GLU 88 -9.371 4.868 16.416 836 QB GLU 88 QB GLU 88 -6.639 2.501 13.966 837 QG GLU 88 QG GLU 88 -9.041 2.028 14.273 838 H VAL 89 H VAL 89 -8.891 -0.291 13.811 839 HA VAL 89 HA VAL 89 -7.415 -2.353 12.374 840 HB VAL 89 HB VAL 89 -10.399 -2.014 12.682 841 1HG1 VAL 89 1HG1 VAL 89 -8.581 -4.244 11.779 842 2HG1 VAL 89 2HG1 VAL 89 -10.194 -4.594 12.446 843 3HG1 VAL 89 3HG1 VAL 89 -10.033 -3.581 10.992 844 1HG2 VAL 89 1HG2 VAL 89 -8.434 -3.428 14.511 845 2HG2 VAL 89 2HG2 VAL 89 -9.518 -2.076 14.918 846 3HG2 VAL 89 3HG2 VAL 89 -10.195 -3.680 14.549 847 MG1 VAL 89 MG1 VAL 89 -9.603 -4.140 11.739 848 MG2 VAL 89 MG2 VAL 89 -9.382 -3.062 14.659 849 QG VAL 89 QG VAL 89 -9.492 -3.601 13.199 850 H SER 90 H SER 90 -8.331 0.817 11.891 851 HA SER 90 HA SER 90 -9.195 0.384 9.170 852 1HB SER 90 1HB SER 90 -9.189 2.708 11.082 853 2HB SER 90 2HB SER 90 -9.162 3.069 9.368 854 HG SER 90 HG SER 90 -11.114 1.889 9.084 855 QB SER 90 QB SER 90 -9.175 2.888 10.225 856 H LEU 91 H LEU 91 -8.114 1.727 7.401 857 HA LEU 91 HA LEU 91 -5.408 1.181 7.293 858 1HB LEU 91 1HB LEU 91 -7.396 2.644 5.699 859 2HB LEU 91 2HB LEU 91 -5.751 3.213 5.491 860 HG LEU 91 HG LEU 91 -6.559 0.310 5.191 861 1HD1 LEU 91 1HD1 LEU 91 -7.339 2.385 3.514 862 2HD1 LEU 91 2HD1 LEU 91 -5.906 1.693 2.716 863 3HD1 LEU 91 3HD1 LEU 91 -7.292 0.650 3.119 864 1HD2 LEU 91 1HD2 LEU 91 -4.017 1.785 5.050 865 2HD2 LEU 91 2HD2 LEU 91 -4.337 0.057 5.331 866 3HD2 LEU 91 3HD2 LEU 91 -4.322 0.701 3.672 867 MD1 LEU 91 MD1 LEU 91 -6.846 1.576 3.116 868 MD2 LEU 91 MD2 LEU 91 -4.226 0.848 4.684 869 QB LEU 91 QB LEU 91 -6.574 2.928 5.595 870 QD LEU 91 QD LEU 91 -5.536 1.212 3.900 871 H SER 92 H SER 92 -7.142 3.759 8.887 872 HA SER 92 HA SER 92 -5.328 5.783 8.790 873 1HB SER 92 1HB SER 92 -7.463 4.902 10.676 874 2HB SER 92 2HB SER 92 -6.281 6.001 11.359 875 HG SER 92 HG SER 92 -7.735 6.479 8.898 876 QB SER 92 QB SER 92 -6.872 5.451 11.018 877 H SER 93 H SER 93 -5.084 2.645 10.317 878 HA SER 93 HA SER 93 -2.723 3.586 11.749 879 1HB SER 93 1HB SER 93 -4.948 1.854 12.549 880 2HB SER 93 2HB SER 93 -3.412 1.037 12.756 881 HG SER 93 HG SER 93 -4.515 3.043 14.268 882 QB SER 93 QB SER 93 -4.180 1.445 12.653 883 H LEU 94 H LEU 94 -2.930 2.839 8.877 884 HA LEU 94 HA LEU 94 -1.268 0.417 8.938 885 1HB LEU 94 1HB LEU 94 -3.425 1.316 7.079 886 2HB LEU 94 2HB LEU 94 -2.087 0.389 6.429 887 HG LEU 94 HG LEU 94 -3.987 -1.041 6.960 888 1HD1 LEU 94 1HD1 LEU 94 -1.515 -1.739 7.285 889 2HD1 LEU 94 2HD1 LEU 94 -1.901 -1.707 9.023 890 3HD1 LEU 94 3HD1 LEU 94 -2.802 -2.786 7.931 891 1HD2 LEU 94 1HD2 LEU 94 -4.236 0.589 9.243 892 2HD2 LEU 94 2HD2 LEU 94 -5.254 -0.789 8.761 893 3HD2 LEU 94 3HD2 LEU 94 -3.859 -1.046 9.836 894 MD1 LEU 94 MD1 LEU 94 -2.073 -2.077 8.080 895 MD2 LEU 94 MD2 LEU 94 -4.450 -0.415 9.280 896 QB LEU 94 QB LEU 94 -2.756 0.853 6.754 897 QD LEU 94 QD LEU 94 -3.261 -1.246 8.680 898 H SER 95 H SER 95 0.088 0.420 6.686 899 HA SER 95 HA SER 95 1.570 1.398 5.404 900 1HB SER 95 2HB SER 95 -0.196 3.450 5.587 901 2HB SER 95 1HB SER 95 1.314 3.564 4.705 902 HG SER 95 HG SER 95 1.973 5.057 6.080 903 QB SER 95 QB SER 95 0.559 3.507 5.146 904 H LEU 96 H LEU 96 1.584 0.946 8.565 905 HA LEU 96 HA LEU 96 4.101 2.363 9.065 906 1HB LEU 96 1HB LEU 96 2.757 1.007 11.300 907 2HB LEU 96 2HB LEU 96 3.526 2.580 11.220 908 HG LEU 96 HG LEU 96 0.846 2.108 9.923 909 1HD1 LEU 96 1HD1 LEU 96 1.104 1.495 12.512 910 2HD1 LEU 96 2HD1 LEU 96 0.914 3.258 12.666 911 3HD1 LEU 96 3HD1 LEU 96 -0.340 2.296 11.848 912 1HD2 LEU 96 1HD2 LEU 96 2.616 4.320 10.145 913 2HD2 LEU 96 2HD2 LEU 96 1.001 4.255 9.399 914 3HD2 LEU 96 3HD2 LEU 96 1.170 4.683 11.119 915 MD1 LEU 96 MD1 LEU 96 0.559 2.350 12.342 916 MD2 LEU 96 MD2 LEU 96 1.596 4.419 10.221 917 QB LEU 96 QB LEU 96 3.141 1.794 11.260 918 QD LEU 96 QD LEU 96 1.078 3.384 11.281 919 H ALA 97 H ALA 97 5.066 0.686 11.137 920 HA ALA 97 HA ALA 97 5.835 -1.623 9.513 921 1HB ALA 97 2HB ALA 97 7.130 -0.581 12.055 922 2HB ALA 97 3HB ALA 97 7.830 -1.668 10.832 923 3HB ALA 97 1HB ALA 97 7.535 0.043 10.438 924 MB ALA 97 MB ALA 97 7.499 -0.735 11.109 925 H VAL 98 H VAL 98 3.362 -2.126 10.255 926 HA VAL 98 HA VAL 98 2.639 -2.843 12.731 927 HB VAL 98 HB VAL 98 1.142 -4.407 11.737 928 1HG1 VAL 98 1HG1 VAL 98 1.148 -1.837 11.096 929 2HG1 VAL 98 2HG1 VAL 98 1.460 -2.478 9.465 930 3HG1 VAL 98 3HG1 VAL 98 -0.003 -2.972 10.351 931 1HG2 VAL 98 1HG2 VAL 98 3.341 -4.891 9.917 932 2HG2 VAL 98 2HG2 VAL 98 1.887 -5.870 10.226 933 3HG2 VAL 98 3HG2 VAL 98 1.841 -4.566 9.015 934 MG1 VAL 98 MG1 VAL 98 0.868 -2.429 10.304 935 MG2 VAL 98 MG2 VAL 98 2.356 -5.109 9.719 936 QG VAL 98 QG VAL 98 1.612 -3.769 10.012 937 HA PRO 99 HA PRO 99 5.254 -6.015 14.060 938 1HB PRO 99 1HB PRO 99 3.698 -7.254 15.935 939 2HB PRO 99 2HB PRO 99 4.570 -5.766 16.245 940 1HG PRO 99 2HG PRO 99 2.498 -4.785 16.499 941 2HG PRO 99 1HG PRO 99 1.677 -6.156 15.781 942 1HD PRO 99 1HD PRO 99 1.430 -4.946 13.842 943 2HD PRO 99 2HD PRO 99 2.353 -3.620 14.522 944 QB PRO 99 QB PRO 99 4.134 -6.510 16.090 945 QG PRO 99 QG PRO 99 2.088 -5.470 16.140 946 QD PRO 99 QD PRO 99 1.892 -4.283 14.182 947 HA PRO 100 HA PRO 100 4.535 -9.785 12.235 948 1HB PRO 100 1HB PRO 100 5.557 -11.677 13.920 949 2HB PRO 100 2HB PRO 100 6.554 -10.694 12.866 950 1HG PRO 100 2HG PRO 100 7.448 -9.804 14.797 951 2HG PRO 100 1HG PRO 100 6.168 -10.474 15.789 952 1HD PRO 100 1HD PRO 100 5.210 -8.387 15.896 953 2HD PRO 100 2HD PRO 100 6.426 -7.745 14.810 954 QB PRO 100 QB PRO 100 6.055 -11.186 13.393 955 QG PRO 100 QG PRO 100 6.808 -10.139 15.293 956 QD PRO 100 QD PRO 100 5.818 -8.066 15.353 957 HA PRO 101 HA PRO 101 0.732 -11.168 13.608 958 1HB PRO 101 1HB PRO 101 -0.014 -12.580 11.390 959 2HB PRO 101 2HB PRO 101 -0.251 -10.851 11.550 960 1HG PRO 101 1HG PRO 101 1.760 -12.305 9.943 961 2HG PRO 101 2HG PRO 101 1.232 -10.641 9.796 962 1HD PRO 101 1HD PRO 101 3.680 -11.567 10.969 963 2HD PRO 101 2HD PRO 101 3.099 -9.915 10.925 964 QB PRO 101 QB PRO 101 -0.132 -11.716 11.470 965 QG PRO 101 QG PRO 101 1.496 -11.473 9.870 966 QD PRO 101 QD PRO 101 3.390 -10.741 10.947 967 H ARG 102 H ARG 102 -0.511 -13.568 13.046 968 HA ARG 102 HA ARG 102 1.298 -15.254 14.544 969 1HB ARG 102 1HB ARG 102 -1.352 -14.681 14.961 970 2HB ARG 102 2HB ARG 102 -1.519 -16.135 13.997 971 1HG ARG 102 1HG ARG 102 0.490 -16.200 16.238 972 2HG ARG 102 2HG ARG 102 -1.204 -16.207 16.685 973 1HD ARG 102 1HD ARG 102 -0.794 -18.069 14.485 974 2HD ARG 102 2HD ARG 102 0.368 -18.413 15.751 975 HE ARG 102 HE ARG 102 -2.370 -17.989 16.734 976 1HH1 ARG 102 1HH1 ARG 102 -0.034 -20.378 15.555 977 2HH1 ARG 102 2HH1 ARG 102 -0.843 -21.718 16.297 978 2HH2 ARG 102 HH2 ARG 102 -2.841 -21.329 17.562 979 QB ARG 102 QB ARG 102 -1.435 -15.408 14.479 980 QG ARG 102 QG ARG 102 -0.357 -16.203 16.461 981 QD ARG 102 QD ARG 102 -0.213 -18.241 15.118 982 QH1 ARG 102 QH1 ARG 102 -0.438 -21.048 15.926 983 H PHE 103 H PHE 103 -0.409 -14.923 11.449 984 HA PHE 103 HA PHE 103 -0.616 -17.367 10.436 985 1HB PHE 103 2HB PHE 103 -0.120 -16.269 8.267 986 2HB PHE 103 1HB PHE 103 0.897 -15.078 9.053 987 HD1 PHE 103 HD1 PHE 103 -2.633 -16.298 9.159 988 HD2 PHE 103 HD2 PHE 103 0.007 -12.988 9.442 989 HE1 PHE 103 HE1 PHE 103 -4.598 -14.748 9.353 990 HE2 PHE 103 HE2 PHE 103 -1.958 -11.438 9.636 991 HZ PHE 103 HZ PHE 103 -4.237 -12.337 9.589 992 QB PHE 103 QB PHE 103 0.388 -15.674 8.660 993 QD PHE 103 QD PHE 103 -1.313 -14.643 9.300 994 QE PHE 103 QE PHE 103 -3.278 -13.093 9.494 995 QR PHE 103 QR PHE 103 -2.296 -13.868 9.397 996 H HIS 104 H HIS 104 0.797 -18.663 8.921 997 HA HIS 104 HA HIS 104 3.209 -19.282 10.253 998 1HB HIS 104 1HB HIS 104 1.884 -21.013 9.222 999 2HB HIS 104 2HB HIS 104 1.989 -20.239 7.653 1000 HD1 HIS 104 HD1 HIS 104 4.127 -22.135 10.158 1001 HD2 HIS 104 HD2 HIS 104 4.268 -20.843 6.170 1002 HE1 HIS 104 HE1 HIS 104 6.167 -23.259 9.114 1003 QB HIS 104 QB HIS 104 1.936 -20.626 8.437 1004 H ASP 105 H ASP 105 5.314 -19.587 8.828 1005 HA ASP 105 HA ASP 105 5.673 -17.743 6.750 1006 1HB ASP 105 1HB ASP 105 5.930 -16.686 9.395 1007 2HB ASP 105 2HB ASP 105 7.564 -16.872 8.791 1008 HD2 ASP 105 HD2 ASP 105 5.649 -13.734 7.980 1009 QB ASP 105 QB ASP 105 6.747 -16.779 9.093 No H/Q in entry = 1009 Start of MODEL 16 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.355 0.104 -2.058 3 1HB LEU 7 2HB LEU 7 3.241 1.409 -2.356 4 2HB LEU 7 1HB LEU 7 3.944 0.948 -0.818 5 HG LEU 7 HG LEU 7 2.251 2.302 0.367 6 1HD1 LEU 7 1HD1 LEU 7 4.501 3.189 -0.418 7 2HD1 LEU 7 2HD1 LEU 7 3.610 4.007 -1.724 8 3HD1 LEU 7 3HD1 LEU 7 3.256 4.398 -0.024 9 1HD2 LEU 7 1HD2 LEU 7 1.331 3.047 -2.422 10 2HD2 LEU 7 2HD2 LEU 7 0.401 2.191 -1.169 11 3HD2 LEU 7 3HD2 LEU 7 0.854 3.896 -0.931 12 MD1 LEU 7 MD1 LEU 7 3.789 3.865 -0.722 13 MD2 LEU 7 MD2 LEU 7 0.862 3.044 -1.507 14 QB LEU 7 QB LEU 7 3.592 1.179 -1.587 15 QD LEU 7 QD LEU 7 2.326 3.454 -1.114 16 H SER 8 H SER 8 4.472 -0.404 -2.139 17 HA SER 8 HA SER 8 4.140 -3.292 -1.953 18 1HB SER 8 1HB SER 8 5.080 -1.614 -4.056 19 2HB SER 8 2HB SER 8 6.491 -2.464 -3.456 20 HG SER 8 HG SER 8 4.089 -3.954 -3.911 21 QB SER 8 QB SER 8 5.786 -2.039 -3.756 22 H LEU 9 H LEU 9 6.892 -4.021 -2.094 23 HA LEU 9 HA LEU 9 7.687 -4.174 0.442 24 1HB LEU 9 2HB LEU 9 9.941 -4.527 -0.366 25 2HB LEU 9 1HB LEU 9 9.565 -3.732 -1.882 26 HG LEU 9 HG LEU 9 7.672 -5.822 -1.594 27 1HD1 LEU 9 1HD1 LEU 9 10.063 -5.342 -3.370 28 2HD1 LEU 9 2HD1 LEU 9 9.019 -6.772 -3.551 29 3HD1 LEU 9 3HD1 LEU 9 8.333 -5.140 -3.737 30 1HD2 LEU 9 1HD2 LEU 9 10.491 -6.725 -0.948 31 2HD2 LEU 9 2HD2 LEU 9 9.047 -6.877 0.082 32 3HD2 LEU 9 3HD2 LEU 9 9.160 -7.801 -1.435 33 MD1 LEU 9 MD1 LEU 9 9.138 -5.752 -3.553 34 MD2 LEU 9 MD2 LEU 9 9.566 -7.134 -0.767 35 QB LEU 9 QB LEU 9 9.753 -4.129 -1.124 36 QD LEU 9 QD LEU 9 9.352 -6.443 -2.160 37 H THR 10 H THR 10 7.915 -1.309 -1.656 38 HA THR 10 HA THR 10 9.751 0.214 -0.328 39 HB THR 10 HB THR 10 7.071 0.997 -1.591 40 HG1 THR 10 HG1 THR 10 9.864 0.914 -2.491 41 1HG2 THR 10 1HG2 THR 10 9.075 2.630 -0.282 42 2HG2 THR 10 2HG2 THR 10 9.201 2.884 -2.039 43 3HG2 THR 10 3HG2 THR 10 7.654 3.170 -1.207 44 MG THR 10 MG THR 10 8.643 2.895 -1.176 45 H GLN 11 H GLN 11 6.220 0.714 0.283 46 HA GLN 11 HA GLN 11 6.663 2.016 2.656 47 1HB GLN 11 1HB GLN 11 4.422 1.137 1.097 48 2HB GLN 11 2HB GLN 11 4.122 0.636 2.750 49 1HG GLN 11 1HG GLN 11 5.207 3.309 2.831 50 2HG GLN 11 2HG GLN 11 3.938 3.288 1.622 51 2HE2 GLN 11 1HE2 GLN 11 2.552 4.523 2.829 52 1HE2 GLN 11 2HE2 GLN 11 1.719 3.947 4.234 53 QB GLN 11 QB GLN 11 4.272 0.887 1.923 54 QG GLN 11 QG GLN 11 4.573 3.298 2.226 55 QE GLN 11 QE GLN 11 2.135 4.235 3.532 56 H LEU 12 H LEU 12 6.525 -1.443 1.894 57 HA LEU 12 HA LEU 12 5.971 -2.434 4.431 58 1HB LEU 12 1HB LEU 12 6.211 -3.524 2.038 59 2HB LEU 12 2HB LEU 12 7.845 -3.845 2.583 60 HG LEU 12 HG LEU 12 6.541 -5.785 3.024 61 1HD1 LEU 12 1HD1 LEU 12 8.152 -4.881 4.814 62 2HD1 LEU 12 2HD1 LEU 12 6.683 -4.479 5.735 63 3HD1 LEU 12 3HD1 LEU 12 7.011 -6.167 5.277 64 1HD2 LEU 12 1HD2 LEU 12 4.432 -3.927 3.495 65 2HD2 LEU 12 2HD2 LEU 12 4.352 -5.699 3.349 66 3HD2 LEU 12 3HD2 LEU 12 4.609 -4.949 4.942 67 MD1 LEU 12 MD1 LEU 12 7.282 -5.176 5.276 68 MD2 LEU 12 MD2 LEU 12 4.464 -4.858 3.929 69 QB LEU 12 QB LEU 12 7.028 -3.684 2.311 70 QD LEU 12 QD LEU 12 5.873 -5.017 4.602 71 H SER 13 H SER 13 8.662 -0.617 3.278 72 HA SER 13 HA SER 13 9.960 -1.086 5.802 73 1HB SER 13 1HB SER 13 10.944 -2.202 3.314 74 2HB SER 13 2HB SER 13 12.077 -0.990 3.877 75 HG SER 13 HG SER 13 12.242 -2.085 5.898 76 QB SER 13 QB SER 13 11.510 -1.596 3.595 77 H SER 14 H SER 14 8.404 1.073 4.357 78 HA SER 14 HA SER 14 8.465 3.213 3.993 79 1HB SER 14 1HB SER 14 10.006 2.769 6.327 80 2HB SER 14 2HB SER 14 10.922 3.945 5.404 81 HG SER 14 HG SER 14 8.512 4.246 6.763 82 QB SER 14 QB SER 14 10.464 3.357 5.866 83 H GLY 15 H GLY 15 10.267 1.268 2.365 84 1HA GLY 15 1HA GLY 15 11.241 1.736 0.315 85 2HA GLY 15 2HA GLY 15 11.602 3.370 0.835 86 QA GLY 15 QA GLY 15 11.422 2.553 0.575 87 H ASN 16 H ASN 16 12.308 0.127 2.323 88 HA ASN 16 HA ASN 16 15.084 0.998 2.435 89 1HB ASN 16 1HB ASN 16 13.544 0.221 4.533 90 2HB ASN 16 2HB ASN 16 14.075 -1.369 4.021 91 2HD2 ASN 16 1HD2 ASN 16 14.872 -0.863 6.382 92 1HD2 ASN 16 2HD2 ASN 16 16.526 -0.363 6.508 93 QB ASN 16 QB ASN 16 13.810 -0.574 4.277 94 QD ASN 16 QD ASN 16 15.699 -0.613 6.445 95 HA PRO 17 HA PRO 17 15.277 -2.363 -0.526 96 1HB PRO 17 1HB PRO 17 17.567 -1.557 -1.781 97 2HB PRO 17 2HB PRO 17 15.970 -1.030 -2.271 98 1HG PRO 17 2HG PRO 17 16.648 1.087 -1.656 99 2HG PRO 17 1HG PRO 17 18.046 0.472 -0.798 100 1HD PRO 17 1HD PRO 17 16.937 0.820 1.185 101 2HD PRO 17 2HD PRO 17 15.499 1.325 0.321 102 QB PRO 17 QB PRO 17 16.768 -1.294 -2.026 103 QG PRO 17 QG PRO 17 17.347 0.779 -1.227 104 QD PRO 17 QD PRO 17 16.218 1.072 0.753 105 H VAL 18 H VAL 18 17.394 -1.394 1.932 106 HA VAL 18 HA VAL 18 19.491 -3.069 1.749 107 HB VAL 18 HB VAL 18 19.136 -1.455 3.527 108 1HG1 VAL 18 1HG1 VAL 18 16.642 -2.204 3.784 109 2HG1 VAL 18 2HG1 VAL 18 17.302 -3.351 4.975 110 3HG1 VAL 18 3HG1 VAL 18 17.535 -1.600 5.200 111 1HG2 VAL 18 1HG2 VAL 18 19.973 -4.234 4.005 112 2HG2 VAL 18 2HG2 VAL 18 20.791 -2.702 4.400 113 3HG2 VAL 18 3HG2 VAL 18 19.538 -3.349 5.487 114 MG1 VAL 18 MG1 VAL 18 17.160 -2.385 4.653 115 MG2 VAL 18 MG2 VAL 18 20.101 -3.428 4.630 116 QG VAL 18 QG VAL 18 18.630 -2.907 4.642 117 H TYR 19 H TYR 19 16.104 -3.911 2.573 118 HA TYR 19 HA TYR 19 16.635 -6.549 3.381 119 1HB TYR 19 1HB TYR 19 14.411 -4.714 2.624 120 2HB TYR 19 2HB TYR 19 14.064 -6.367 2.156 121 HD1 TYR 19 HD1 TYR 19 16.145 -5.697 5.111 122 HD2 TYR 19 HD2 TYR 19 12.181 -6.498 3.715 123 HE1 TYR 19 HE1 TYR 19 15.406 -6.218 7.487 124 HE2 TYR 19 HE2 TYR 19 11.455 -7.016 6.096 125 HH TYR 19 HH TYR 19 13.733 -6.657 8.793 126 QB TYR 19 QB TYR 19 14.237 -5.540 2.390 127 QD TYR 19 QD TYR 19 14.163 -6.097 4.413 128 QE TYR 19 QE TYR 19 13.430 -6.617 6.792 129 QR TYR 19 QR TYR 19 13.797 -6.357 5.602 130 H GLU 20 H GLU 20 15.780 -5.078 0.189 131 HA GLU 20 HA GLU 20 15.300 -7.289 -1.242 132 1HB GLU 20 1HB GLU 20 16.089 -4.570 -1.772 133 2HB GLU 20 2HB GLU 20 17.001 -5.609 -2.849 134 1HG GLU 20 1HG GLU 20 14.112 -6.314 -2.571 135 2HG GLU 20 2HG GLU 20 14.423 -4.763 -3.326 136 HE2 GLU 20 HE2 GLU 20 14.735 -7.946 -5.449 137 QB GLU 20 QB GLU 20 16.545 -5.090 -2.310 138 QG GLU 20 QG GLU 20 14.267 -5.538 -2.948 139 H LYS 21 H LYS 21 18.451 -6.118 -0.038 140 HA LYS 21 HA LYS 21 20.086 -7.719 -1.632 141 1HB LYS 21 1HB LYS 21 21.752 -6.782 -0.450 142 2HB LYS 21 2HB LYS 21 20.488 -5.746 0.181 143 1HG LYS 21 1HG LYS 21 20.154 -7.400 2.078 144 2HG LYS 21 2HG LYS 21 21.520 -8.315 1.472 145 1HD LYS 21 1HD LYS 21 22.360 -5.572 1.651 146 2HD LYS 21 2HD LYS 21 21.531 -5.951 3.147 147 1HE LYS 21 1HE LYS 21 22.999 -8.183 3.039 148 2HE LYS 21 2HE LYS 21 24.016 -7.224 1.983 149 QB LYS 21 QB LYS 21 21.120 -6.264 -0.135 150 QD LYS 21 QD LYS 21 21.946 -5.761 2.399 151 QG LYS 21 QG LYS 21 20.837 -7.858 1.775 152 QE LYS 21 QE LYS 21 23.508 -7.703 2.511 153 QZ LYS 21 QZ LYS 21 23.686 -5.998 4.253 154 H TYR 22 H TYR 22 18.454 -8.316 1.530 155 HA TYR 22 HA TYR 22 19.595 -10.916 1.793 156 1HB TYR 22 1HB TYR 22 17.136 -9.501 3.001 157 2HB TYR 22 2HB TYR 22 17.845 -10.963 3.657 158 HD1 TYR 22 HD1 TYR 22 20.777 -10.226 3.362 159 HD2 TYR 22 HD2 TYR 22 17.421 -8.000 4.807 160 HE1 TYR 22 HE1 TYR 22 22.323 -8.821 4.810 161 HE2 TYR 22 HE2 TYR 22 18.979 -6.603 6.251 162 HH TYR 22 HH TYR 22 22.185 -7.503 6.836 163 QB TYR 22 QB TYR 22 17.491 -10.232 3.329 164 QD TYR 22 QD TYR 22 19.099 -9.113 4.085 165 QE TYR 22 QE TYR 22 20.651 -7.712 5.531 166 QR TYR 22 QR TYR 22 19.875 -8.413 4.807 167 H TYR 23 H TYR 23 16.452 -9.560 0.648 168 HA TYR 23 HA TYR 23 15.033 -11.908 0.441 169 1HB TYR 23 1HB TYR 23 14.016 -9.722 0.057 170 2HB TYR 23 2HB TYR 23 15.244 -9.275 -1.110 171 HD1 TYR 23 HD1 TYR 23 15.144 -10.114 -3.429 172 HD2 TYR 23 HD2 TYR 23 12.090 -11.062 -0.588 173 HE1 TYR 23 HE1 TYR 23 13.608 -10.853 -5.316 174 HE2 TYR 23 HE2 TYR 23 10.564 -11.797 -2.484 175 HH TYR 23 HH TYR 23 10.937 -10.954 -5.525 176 QB TYR 23 QB TYR 23 14.630 -9.499 -0.527 177 QD TYR 23 QD TYR 23 13.617 -10.588 -2.009 178 QE TYR 23 QE TYR 23 12.086 -11.325 -3.900 179 QR TYR 23 QR TYR 23 12.852 -10.956 -2.954 180 H ARG 24 H ARG 24 17.585 -10.571 -1.682 181 HA ARG 24 HA ARG 24 17.019 -12.455 -3.725 182 1HB ARG 24 1HB ARG 24 18.073 -10.122 -4.030 183 2HB ARG 24 2HB ARG 24 19.554 -10.785 -3.367 184 1HG ARG 24 1HG ARG 24 20.065 -11.383 -5.504 185 2HG ARG 24 2HG ARG 24 18.903 -12.678 -5.297 186 1HD ARG 24 1HD ARG 24 18.252 -11.538 -7.313 187 2HD ARG 24 2HD ARG 24 17.088 -11.047 -6.098 188 HE ARG 24 HE ARG 24 19.361 -9.235 -6.183 189 1HH1 ARG 24 1HH1 ARG 24 16.309 -10.019 -7.803 190 2HH1 ARG 24 2HH1 ARG 24 16.091 -8.421 -8.436 191 2HH2 ARG 24 HH2 ARG 24 17.729 -6.737 -7.962 192 QB ARG 24 QB ARG 24 18.813 -10.453 -3.698 193 QG ARG 24 QG ARG 24 19.484 -12.030 -5.401 194 QD ARG 24 QD ARG 24 17.670 -11.293 -6.705 195 QH1 ARG 24 QH1 ARG 24 16.200 -9.220 -8.120 196 H GLN 25 H GLN 25 19.038 -12.243 -0.830 197 HA GLN 25 HA GLN 25 20.970 -14.098 -1.533 198 1HB GLN 25 1HB GLN 25 19.968 -12.827 0.959 199 2HB GLN 25 2HB GLN 25 20.725 -14.389 1.206 200 1HG GLN 25 1HG GLN 25 22.300 -12.804 -0.677 201 2HG GLN 25 2HG GLN 25 22.022 -11.887 0.790 202 2HE2 GLN 25 1HE2 GLN 25 21.942 -13.716 2.748 203 1HE2 GLN 25 2HE2 GLN 25 23.444 -14.563 2.909 204 QB GLN 25 QB GLN 25 20.346 -13.608 1.082 205 QG GLN 25 QG GLN 25 22.161 -12.346 0.057 206 QE GLN 25 QE GLN 25 22.693 -14.140 2.829 207 H VAL 26 H VAL 26 17.638 -14.432 -0.294 208 HA VAL 26 HA VAL 26 17.972 -17.262 0.160 209 HB VAL 26 HB VAL 26 15.959 -17.169 1.213 210 1HG1 VAL 26 1HG1 VAL 26 17.594 -15.371 2.072 211 2HG1 VAL 26 2HG1 VAL 26 16.489 -14.196 1.319 212 3HG1 VAL 26 3HG1 VAL 26 15.898 -15.276 2.605 213 1HG2 VAL 26 1HG2 VAL 26 15.170 -15.037 -0.784 214 2HG2 VAL 26 2HG2 VAL 26 14.492 -16.668 -0.572 215 3HG2 VAL 26 3HG2 VAL 26 14.187 -15.412 0.652 216 MG1 VAL 26 MG1 VAL 26 16.660 -14.948 1.999 217 MG2 VAL 26 MG2 VAL 26 14.616 -15.706 -0.234 218 QG VAL 26 QG VAL 26 15.638 -15.327 0.882 219 H GLU 27 H GLU 27 16.469 -15.025 -2.226 220 HA GLU 27 HA GLU 27 14.966 -16.626 -3.686 221 1HB GLU 27 1HB GLU 27 15.428 -14.255 -4.223 222 2HB GLU 27 2HB GLU 27 17.039 -14.670 -4.772 223 1HG GLU 27 1HG GLU 27 15.870 -16.291 -6.443 224 2HG GLU 27 2HG GLU 27 14.383 -15.460 -6.033 225 HE2 GLU 27 HE2 GLU 27 17.114 -15.040 -8.166 226 QB GLU 27 QB GLU 27 16.234 -14.462 -4.497 227 QG GLU 27 QG GLU 27 15.127 -15.875 -6.238 228 H ALA 28 H ALA 28 15.198 -18.664 -4.489 229 HA ALA 28 HA ALA 28 17.623 -20.000 -4.580 230 1HB ALA 28 2HB ALA 28 16.152 -21.471 -6.254 231 2HB ALA 28 3HB ALA 28 15.794 -21.409 -4.512 232 3HB ALA 28 1HB ALA 28 14.850 -20.418 -5.651 233 MB ALA 28 MB ALA 28 15.599 -21.100 -5.472 234 H GLY 29 H GLY 29 19.366 -19.560 -5.829 235 1HA GLY 29 1HA GLY 29 20.610 -18.910 -7.585 236 2HA GLY 29 2HA GLY 29 19.392 -19.684 -8.579 237 QA GLY 29 QA GLY 29 20.001 -19.297 -8.082 238 H ASN 30 H ASN 30 20.059 -17.885 -10.121 239 HA ASN 30 HA ASN 30 19.043 -15.303 -9.356 240 1HB ASN 30 1HB ASN 30 21.201 -16.023 -10.871 241 2HB ASN 30 2HB ASN 30 20.018 -15.860 -12.153 242 2HD2 ASN 30 1HD2 ASN 30 22.333 -14.293 -10.487 243 1HD2 ASN 30 2HD2 ASN 30 21.834 -12.643 -10.653 244 QB ASN 30 QB ASN 30 20.610 -15.941 -11.512 245 QD ASN 30 QD ASN 30 22.084 -13.468 -10.570 246 H THR 31 H THR 31 17.127 -17.511 -9.607 247 HA THR 31 HA THR 31 15.922 -17.599 -12.144 248 HB THR 31 HB THR 31 14.026 -18.595 -10.786 249 HG1 THR 31 HG1 THR 31 14.472 -18.583 -8.444 250 1HG2 THR 31 1HG2 THR 31 16.901 -19.421 -10.211 251 2HG2 THR 31 2HG2 THR 31 15.541 -20.268 -9.435 252 3HG2 THR 31 3HG2 THR 31 15.688 -20.260 -11.209 253 MG THR 31 MG THR 31 16.043 -19.983 -10.285 254 H GLY 32 H GLY 32 15.373 -15.488 -9.279 255 1HA GLY 32 1HA GLY 32 14.792 -13.204 -9.701 256 2HA GLY 32 2HA GLY 32 13.822 -13.720 -11.066 257 QA GLY 32 QA GLY 32 14.307 -13.462 -10.383 258 H ARG 33 H ARG 33 13.401 -16.082 -8.709 259 HA ARG 33 HA ARG 33 11.264 -14.594 -7.431 260 1HB ARG 33 1HB ARG 33 11.062 -17.272 -8.871 261 2HB ARG 33 2HB ARG 33 9.913 -16.838 -7.620 262 1HG ARG 33 2HG ARG 33 9.929 -14.536 -9.165 263 2HG ARG 33 1HG ARG 33 8.739 -15.816 -9.286 264 1HD ARG 33 1HD ARG 33 11.208 -16.437 -10.790 265 2HD ARG 33 2HD ARG 33 9.538 -16.528 -11.312 266 HE ARG 33 HE ARG 33 10.421 -13.769 -11.041 267 1HH1 ARG 33 1HH1 ARG 33 10.507 -16.570 -13.210 268 2HH1 ARG 33 2HH1 ARG 33 10.734 -15.614 -14.636 269 2HH2 ARG 33 HH2 ARG 33 10.856 -13.228 -14.444 270 QB ARG 33 QB ARG 33 10.488 -17.055 -8.246 271 QG ARG 33 QG ARG 33 9.334 -15.176 -9.225 272 QD ARG 33 QD ARG 33 10.373 -16.482 -11.051 273 QH1 ARG 33 QH1 ARG 33 10.620 -16.092 -13.923 274 H VAL 34 H VAL 34 10.849 -15.233 -5.242 275 HA VAL 34 HA VAL 34 12.992 -16.762 -4.062 276 HB VAL 34 HB VAL 34 10.734 -15.051 -3.067 277 1HG1 VAL 34 1HG1 VAL 34 12.502 -16.848 -1.374 278 2HG1 VAL 34 2HG1 VAL 34 11.476 -15.538 -0.742 279 3HG1 VAL 34 3HG1 VAL 34 10.733 -16.941 -1.549 280 1HG2 VAL 34 1HG2 VAL 34 13.741 -14.928 -3.086 281 2HG2 VAL 34 2HG2 VAL 34 12.551 -13.706 -3.596 282 3HG2 VAL 34 3HG2 VAL 34 12.815 -14.023 -1.864 283 MG1 VAL 34 MG1 VAL 34 11.570 -16.442 -1.222 284 MG2 VAL 34 MG2 VAL 34 13.036 -14.219 -2.849 285 QG VAL 34 QG VAL 34 12.303 -15.331 -2.035 286 H LEU 35 H LEU 35 12.845 -18.951 -4.252 287 HA LEU 35 HA LEU 35 10.468 -20.334 -4.625 288 1HB LEU 35 1HB LEU 35 13.265 -20.891 -4.339 289 2HB LEU 35 2HB LEU 35 12.355 -22.033 -3.371 290 HG LEU 35 HG LEU 35 11.892 -21.503 -6.319 291 1HD1 LEU 35 1HD1 LEU 35 14.026 -22.845 -5.197 292 2HD1 LEU 35 2HD1 LEU 35 12.871 -24.151 -5.556 293 3HD1 LEU 35 3HD1 LEU 35 13.405 -23.054 -6.852 294 1HD2 LEU 35 1HD2 LEU 35 10.152 -22.602 -4.439 295 2HD2 LEU 35 2HD2 LEU 35 10.047 -22.738 -6.211 296 3HD2 LEU 35 3HD2 LEU 35 10.864 -24.007 -5.267 297 MD1 LEU 35 MD1 LEU 35 13.434 -23.350 -5.868 298 MD2 LEU 35 MD2 LEU 35 10.354 -23.116 -5.306 299 QB LEU 35 QB LEU 35 12.810 -21.462 -3.855 300 QD LEU 35 QD LEU 35 11.894 -23.233 -5.587 301 H ALA 36 H ALA 36 11.714 -18.764 -1.823 302 HA ALA 36 HA ALA 36 10.658 -18.486 0.143 303 1HB ALA 36 1HB ALA 36 8.658 -19.707 -1.235 304 2HB ALA 36 3HB ALA 36 8.551 -19.293 0.493 305 3HB ALA 36 2HB ALA 36 8.987 -20.947 -0.001 306 MB ALA 36 MB ALA 36 8.732 -19.982 -0.247 307 H LEU 37 H LEU 37 11.173 -21.962 -0.774 308 HA LEU 37 HA LEU 37 11.738 -23.072 1.584 309 1HB LEU 37 1HB LEU 37 13.015 -23.401 -1.111 310 2HB LEU 37 2HB LEU 37 13.568 -24.348 0.256 311 HG LEU 37 HG LEU 37 11.957 -25.572 -1.123 312 1HD1 LEU 37 1HD1 LEU 37 12.152 -25.881 1.392 313 2HD1 LEU 37 2HD1 LEU 37 10.642 -24.947 1.524 314 3HD1 LEU 37 3HD1 LEU 37 10.663 -26.483 0.625 315 1HD2 LEU 37 1HD2 LEU 37 10.672 -23.618 -1.926 316 2HD2 LEU 37 2HD2 LEU 37 9.635 -24.923 -1.302 317 3HD2 LEU 37 3HD2 LEU 37 9.928 -23.470 -0.316 318 MD1 LEU 37 MD1 LEU 37 11.153 -25.771 1.180 319 MD2 LEU 37 MD2 LEU 37 10.078 -24.004 -1.181 320 QB LEU 37 QB LEU 37 13.292 -23.875 -0.427 321 QD LEU 37 QD LEU 37 10.616 -24.887 0.000 322 H ASP 38 H ASP 38 13.996 -20.991 -0.327 323 HA ASP 38 HA ASP 38 16.055 -21.240 1.555 324 1HB ASP 38 1HB ASP 38 15.736 -20.155 -1.008 325 2HB ASP 38 2HB ASP 38 16.005 -18.733 -0.020 326 HD2 ASP 38 HD2 ASP 38 18.430 -20.302 -1.823 327 QB ASP 38 QB ASP 38 15.870 -19.444 -0.514 328 H ALA 39 H ALA 39 13.477 -18.794 0.840 329 HA ALA 39 HA ALA 39 14.183 -16.763 2.493 330 1HB ALA 39 1HB ALA 39 12.076 -17.300 0.914 331 2HB ALA 39 3HB ALA 39 12.032 -16.022 2.151 332 3HB ALA 39 2HB ALA 39 11.312 -17.614 2.490 333 MB ALA 39 MB ALA 39 11.807 -16.979 1.852 334 H ALA 40 H ALA 40 12.382 -19.784 3.370 335 HA ALA 40 HA ALA 40 12.042 -19.114 6.063 336 1HB ALA 40 1HB ALA 40 11.335 -21.186 4.312 337 2HB ALA 40 3HB ALA 40 10.900 -21.055 6.033 338 3HB ALA 40 2HB ALA 40 12.344 -21.975 5.548 339 MB ALA 40 MB ALA 40 11.526 -21.405 5.298 340 H ALA 41 H ALA 41 14.759 -20.483 4.209 341 HA ALA 41 HA ALA 41 16.194 -21.465 6.422 342 1HB ALA 41 1HB ALA 41 16.448 -21.926 3.880 343 2HB ALA 41 2HB ALA 41 17.419 -20.434 3.852 344 3HB ALA 41 3HB ALA 41 17.929 -21.809 4.861 345 MB ALA 41 MB ALA 41 17.265 -21.390 4.197 346 H PHE 42 H PHE 42 16.450 -18.379 4.516 347 HA PHE 42 HA PHE 42 18.444 -17.256 6.077 348 1HB PHE 42 1HB PHE 42 17.830 -16.312 3.920 349 2HB PHE 42 2HB PHE 42 16.131 -16.253 4.345 350 HD1 PHE 42 HD1 PHE 42 19.107 -14.986 6.203 351 HD2 PHE 42 HD2 PHE 42 15.504 -14.030 4.174 352 HE1 PHE 42 HE1 PHE 42 19.360 -12.584 6.885 353 HE2 PHE 42 HE2 PHE 42 15.758 -11.628 4.856 354 HZ PHE 42 HZ PHE 42 17.682 -10.934 6.204 355 QB PHE 42 QB PHE 42 16.981 -16.283 4.133 356 QD PHE 42 QD PHE 42 17.305 -14.508 5.188 357 QE PHE 42 QE PHE 42 17.559 -12.106 5.871 358 QR PHE 42 QR PHE 42 17.432 -13.307 5.529 359 H LEU 43 H LEU 43 14.839 -17.040 6.340 360 HA LEU 43 HA LEU 43 14.648 -15.160 8.302 361 1HB LEU 43 1HB LEU 43 13.015 -17.638 7.769 362 2HB LEU 43 2HB LEU 43 12.564 -16.444 8.970 363 HG LEU 43 HG LEU 43 13.038 -15.675 6.090 364 1HD1 LEU 43 1HD1 LEU 43 11.012 -17.437 6.996 365 2HD1 LEU 43 2HD1 LEU 43 10.239 -15.867 6.669 366 3HD1 LEU 43 3HD1 LEU 43 11.186 -16.675 5.397 367 1HD2 LEU 43 1HD2 LEU 43 12.437 -14.235 8.461 368 2HD2 LEU 43 2HD2 LEU 43 12.566 -13.628 6.793 369 3HD2 LEU 43 3HD2 LEU 43 10.995 -14.181 7.420 370 MD1 LEU 43 MD1 LEU 43 10.812 -16.660 6.354 371 MD2 LEU 43 MD2 LEU 43 11.999 -14.015 7.558 372 QB LEU 43 QB LEU 43 12.789 -17.041 8.370 373 QD LEU 43 QD LEU 43 11.406 -15.337 6.956 374 H LYS 44 H LYS 44 15.225 -18.715 8.683 375 HA LYS 44 HA LYS 44 15.179 -18.864 11.402 376 1HB LYS 44 1HB LYS 44 16.801 -20.324 9.318 377 2HB LYS 44 2HB LYS 44 16.941 -20.716 11.020 378 1HG LYS 44 1HG LYS 44 14.128 -20.501 10.369 379 2HG LYS 44 2HG LYS 44 14.890 -21.532 9.175 380 1HD LYS 44 1HD LYS 44 15.325 -21.902 12.171 381 2HD LYS 44 2HD LYS 44 14.025 -22.696 11.306 382 1HE LYS 44 1HE LYS 44 15.468 -24.330 10.682 383 2HE LYS 44 2HE LYS 44 16.374 -23.154 9.751 384 QB LYS 44 QB LYS 44 16.871 -20.520 10.169 385 QD LYS 44 QD LYS 44 14.675 -22.299 11.738 386 QG LYS 44 QG LYS 44 14.509 -21.016 9.772 387 QE LYS 44 QE LYS 44 15.921 -23.742 10.216 388 QZ LYS 44 QZ LYS 44 17.571 -23.897 11.710 389 H LYS 45 H LYS 45 17.427 -17.143 9.347 390 HA LYS 45 HA LYS 45 19.487 -17.041 11.351 391 1HB LYS 45 2HB LYS 45 20.712 -15.756 9.758 392 2HB LYS 45 1HB LYS 45 19.272 -15.376 8.834 393 1HG LYS 45 1HG LYS 45 20.142 -18.261 9.250 394 2HG LYS 45 2HG LYS 45 19.047 -17.630 8.036 395 1HD LYS 45 1HD LYS 45 20.931 -16.395 6.962 396 2HD LYS 45 2HD LYS 45 22.031 -16.991 8.189 397 1HE LYS 45 1HE LYS 45 21.110 -19.381 7.408 398 2HE LYS 45 2HE LYS 45 20.689 -18.511 5.946 399 QB LYS 45 QB LYS 45 19.992 -15.566 9.296 400 QD LYS 45 QD LYS 45 21.481 -16.693 7.575 401 QG LYS 45 QG LYS 45 19.594 -17.945 8.643 402 QE LYS 45 QE LYS 45 20.899 -18.946 6.677 403 QZ LYS 45 QZ LYS 45 23.269 -18.501 6.675 404 H SER 46 H SER 46 16.694 -16.152 12.023 405 HA SER 46 HA SER 46 17.133 -13.310 12.348 406 1HB SER 46 1HB SER 46 14.784 -13.169 12.914 407 2HB SER 46 2HB SER 46 14.928 -14.179 11.489 408 HG SER 46 HG SER 46 14.410 -15.987 12.640 409 QB SER 46 QB SER 46 14.856 -13.674 12.201 410 H GLY 47 H GLY 47 15.649 -15.889 14.448 411 1HA GLY 47 1HA GLY 47 17.438 -16.124 16.443 412 2HA GLY 47 2HA GLY 47 16.682 -14.588 16.819 413 QA GLY 47 QA GLY 47 17.060 -15.356 16.631 414 H LEU 48 H LEU 48 14.031 -15.275 15.674 415 HA LEU 48 HA LEU 48 12.859 -16.346 17.953 416 1HB LEU 48 1HB LEU 48 11.977 -15.722 15.173 417 2HB LEU 48 2HB LEU 48 10.923 -16.698 16.177 418 HG LEU 48 HG LEU 48 11.993 -14.086 17.217 419 1HD1 LEU 48 1HD1 LEU 48 11.032 -13.690 14.944 420 2HD1 LEU 48 2HD1 LEU 48 9.482 -14.328 15.544 421 3HD1 LEU 48 3HD1 LEU 48 10.176 -12.856 16.263 422 1HD2 LEU 48 1HD2 LEU 48 10.807 -15.733 18.699 423 2HD2 LEU 48 2HD2 LEU 48 10.075 -14.112 18.627 424 3HD2 LEU 48 3HD2 LEU 48 9.345 -15.460 17.721 425 MD1 LEU 48 MD1 LEU 48 10.230 -13.625 15.584 426 MD2 LEU 48 MD2 LEU 48 10.076 -15.102 18.349 427 QB LEU 48 QB LEU 48 11.450 -16.210 15.675 428 QD LEU 48 QD LEU 48 10.153 -14.363 16.966 429 HA PRO 49 HA PRO 49 13.046 -20.619 17.380 430 1HB PRO 49 1HB PRO 49 10.652 -21.522 18.340 431 2HB PRO 49 2HB PRO 49 11.982 -21.047 19.377 432 1HG PRO 49 1HG PRO 49 9.479 -19.589 18.790 433 2HG PRO 49 2HG PRO 49 10.602 -19.353 20.114 434 1HD PRO 49 1HD PRO 49 10.349 -17.723 17.768 435 2HD PRO 49 2HD PRO 49 11.548 -17.557 19.036 436 QB PRO 49 QB PRO 49 11.317 -21.284 18.858 437 QG PRO 49 QG PRO 49 10.040 -19.471 19.452 438 QD PRO 49 QD PRO 49 10.948 -17.640 18.402 439 H ASP 50 H ASP 50 11.402 -22.670 16.745 440 HA ASP 50 HA ASP 50 10.970 -21.995 13.980 441 1HB ASP 50 1HB ASP 50 11.084 -24.578 15.574 442 2HB ASP 50 2HB ASP 50 10.433 -24.578 13.947 443 HD2 ASP 50 HD2 ASP 50 13.630 -22.665 14.026 444 QB ASP 50 QB ASP 50 10.758 -24.578 14.760 445 H LEU 51 H LEU 51 9.276 -23.095 16.957 446 HA LEU 51 HA LEU 51 6.822 -23.735 15.802 447 1HB LEU 51 2HB LEU 51 7.906 -23.974 18.240 448 2HB LEU 51 1HB LEU 51 6.197 -24.160 17.897 449 HG LEU 51 HG LEU 51 6.198 -21.527 18.383 450 1HD1 LEU 51 1HD1 LEU 51 4.797 -23.174 19.501 451 2HD1 LEU 51 2HD1 LEU 51 6.170 -23.685 20.511 452 3HD1 LEU 51 3HD1 LEU 51 5.504 -22.044 20.681 453 1HD2 LEU 51 1HD2 LEU 51 8.728 -21.652 18.749 454 2HD2 LEU 51 2HD2 LEU 51 7.758 -20.799 19.974 455 3HD2 LEU 51 3HD2 LEU 51 8.343 -22.450 20.293 456 MD1 LEU 51 MD1 LEU 51 5.490 -22.968 20.231 457 MD2 LEU 51 MD2 LEU 51 8.276 -21.634 19.672 458 QB LEU 51 QB LEU 51 7.052 -24.067 18.069 459 QD LEU 51 QD LEU 51 6.883 -22.301 19.951 460 H ILE 52 H ILE 52 7.989 -20.646 17.313 461 HA ILE 52 HA ILE 52 5.634 -19.239 16.733 462 HB ILE 52 HB ILE 52 8.452 -18.435 17.408 463 1HG1 ILE 52 1HG1 ILE 52 6.606 -19.508 19.010 464 2HG1 ILE 52 2HG1 ILE 52 7.756 -18.306 19.560 465 1HG2 ILE 52 1HG2 ILE 52 6.097 -16.654 16.766 466 2HG2 ILE 52 2HG2 ILE 52 7.468 -16.124 17.771 467 3HG2 ILE 52 3HG2 ILE 52 7.741 -16.616 16.082 468 1HD1 ILE 52 1HD1 ILE 52 4.939 -17.694 18.550 469 2HD1 ILE 52 2HD1 ILE 52 5.436 -17.740 20.259 470 3HD1 ILE 52 3HD1 ILE 52 6.105 -16.500 19.170 471 MG ILE 52 MG ILE 52 7.102 -16.465 16.873 472 MD ILE 52 MD ILE 52 5.493 -17.311 19.326 473 QG ILE 52 QG ILE 52 7.181 -18.907 19.285 474 H LEU 53 H LEU 53 8.597 -19.958 14.881 475 HA LEU 53 HA LEU 53 8.169 -18.040 12.873 476 1HB LEU 53 1HB LEU 53 9.939 -20.304 13.402 477 2HB LEU 53 2HB LEU 53 9.562 -20.116 11.701 478 HG LEU 53 HG LEU 53 10.655 -17.902 13.456 479 1HD1 LEU 53 1HD1 LEU 53 12.014 -20.025 11.852 480 2HD1 LEU 53 2HD1 LEU 53 12.719 -18.391 11.879 481 3HD1 LEU 53 3HD1 LEU 53 12.477 -19.281 13.401 482 1HD2 LEU 53 1HD2 LEU 53 9.325 -17.171 11.489 483 2HD2 LEU 53 2HD2 LEU 53 11.036 -16.687 11.413 484 3HD2 LEU 53 3HD2 LEU 53 10.454 -18.058 10.437 485 MD1 LEU 53 MD1 LEU 53 12.403 -19.233 12.377 486 MD2 LEU 53 MD2 LEU 53 10.272 -17.306 11.113 487 QB LEU 53 QB LEU 53 9.750 -20.210 12.551 488 QD LEU 53 QD LEU 53 11.338 -18.269 11.745 489 H GLY 54 H GLY 54 7.310 -21.551 13.141 490 1HA GLY 54 1HA GLY 54 6.218 -22.063 10.731 491 2HA GLY 54 2HA GLY 54 5.557 -22.661 12.240 492 QA GLY 54 QA GLY 54 5.887 -22.362 11.485 493 H LYS 55 H LYS 55 4.669 -20.209 13.430 494 HA LYS 55 HA LYS 55 2.195 -19.930 12.117 495 1HB LYS 55 1HB LYS 55 3.507 -18.452 14.408 496 2HB LYS 55 2HB LYS 55 1.893 -18.077 13.840 497 1HG LYS 55 1HG LYS 55 2.038 -20.934 14.116 498 2HG LYS 55 2HG LYS 55 2.742 -20.245 15.566 499 1HD LYS 55 1HD LYS 55 0.032 -19.412 14.426 500 2HD LYS 55 2HD LYS 55 0.233 -20.601 15.697 501 1HE LYS 55 2HE LYS 55 1.760 -18.279 16.454 502 2HE LYS 55 1HE LYS 55 0.351 -18.953 17.250 503 QB LYS 55 QB LYS 55 2.700 -18.265 14.124 504 QD LYS 55 QD LYS 55 0.133 -20.007 15.061 505 QG LYS 55 QG LYS 55 2.390 -20.590 14.841 506 QE LYS 55 QE LYS 55 1.055 -18.616 16.852 507 QZ LYS 55 QZ LYS 55 0.041 -17.028 15.412 508 H ILE 56 H ILE 56 5.210 -17.972 12.219 509 HA ILE 56 HA ILE 56 4.215 -15.726 10.931 510 HB ILE 56 HB ILE 56 6.884 -16.956 11.375 511 1HG1 ILE 56 1HG1 ILE 56 5.507 -14.360 12.063 512 2HG1 ILE 56 2HG1 ILE 56 6.072 -15.618 13.145 513 1HG2 ILE 56 1HG2 ILE 56 6.982 -16.261 9.015 514 2HG2 ILE 56 2HG2 ILE 56 6.472 -14.622 9.486 515 3HG2 ILE 56 3HG2 ILE 56 8.029 -15.269 10.057 516 1HD1 ILE 56 1HD1 ILE 56 8.439 -15.048 11.991 517 2HD1 ILE 56 2HD1 ILE 56 7.637 -13.480 11.729 518 3HD1 ILE 56 3HD1 ILE 56 7.824 -14.120 13.380 519 MG ILE 56 MG ILE 56 7.161 -15.384 9.519 520 MD ILE 56 MD ILE 56 7.967 -14.216 12.367 521 QG ILE 56 QG ILE 56 5.789 -14.989 12.604 522 H TRP 57 H TRP 57 5.930 -18.608 9.527 523 HA TRP 57 HA TRP 57 5.697 -17.840 6.884 524 1HB TRP 57 1HB TRP 57 7.094 -19.687 7.831 525 2HB TRP 57 2HB TRP 57 5.644 -20.663 7.961 526 HD1 TRP 57 HD1 TRP 57 4.571 -21.566 5.608 527 HE1 TRP 57 HE1 TRP 57 5.512 -21.906 3.166 528 HE3 TRP 57 HE3 TRP 57 8.679 -18.634 6.219 529 HZ2 TRP 57 HZ2 TRP 57 7.818 -20.932 1.795 530 HZ3 TRP 57 HZ3 TRP 57 10.225 -18.381 4.279 531 HH2 TRP 57 HH2 TRP 57 9.847 -19.473 2.125 532 QB TRP 57 QB TRP 57 6.369 -20.175 7.896 533 H ASP 58 H ASP 58 3.544 -19.993 8.880 534 HA ASP 58 HA ASP 58 1.689 -20.619 7.094 535 1HB ASP 58 1HB ASP 58 1.880 -20.777 9.813 536 2HB ASP 58 2HB ASP 58 0.621 -19.564 9.694 537 HD2 ASP 58 HD2 ASP 58 -0.874 -22.056 10.514 538 QB ASP 58 QB ASP 58 1.251 -20.170 9.753 539 H LEU 59 H LEU 59 1.902 -17.541 9.012 540 HA LEU 59 HA LEU 59 -0.434 -16.398 7.946 541 1HB LEU 59 1HB LEU 59 0.383 -15.625 10.017 542 2HB LEU 59 2HB LEU 59 1.981 -15.309 9.372 543 HG LEU 59 HG LEU 59 0.482 -13.304 9.857 544 1HD1 LEU 59 1HD1 LEU 59 2.489 -13.712 8.002 545 2HD1 LEU 59 2HD1 LEU 59 1.210 -12.916 7.054 546 3HD1 LEU 59 3HD1 LEU 59 1.840 -12.139 8.526 547 1HD2 LEU 59 1HD2 LEU 59 -1.362 -14.673 8.333 548 2HD2 LEU 59 2HD2 LEU 59 -1.443 -12.953 8.784 549 3HD2 LEU 59 3HD2 LEU 59 -0.761 -13.430 7.211 550 MD1 LEU 59 MD1 LEU 59 1.846 -12.922 7.861 551 MD2 LEU 59 MD2 LEU 59 -1.189 -13.685 8.109 552 QB LEU 59 QB LEU 59 1.182 -15.467 9.694 553 QD LEU 59 QD LEU 59 0.329 -13.304 7.985 554 H ALA 60 H ALA 60 2.981 -16.513 6.898 555 HA ALA 60 HA ALA 60 2.743 -14.498 4.942 556 1HB ALA 60 1HB ALA 60 4.674 -16.633 5.727 557 2HB ALA 60 2HB ALA 60 4.784 -16.040 4.052 558 3HB ALA 60 3HB ALA 60 4.946 -14.902 5.412 559 MB ALA 60 MB ALA 60 4.802 -15.858 5.063 560 H ASP 61 H ASP 61 2.878 -18.123 4.620 561 HA ASP 61 HA ASP 61 2.479 -18.457 2.067 562 1HB ASP 61 1HB ASP 61 2.459 -20.268 3.795 563 2HB ASP 61 2HB ASP 61 0.821 -19.830 4.235 564 HD2 ASP 61 HD2 ASP 61 0.113 -22.506 2.106 565 QB ASP 61 QB ASP 61 1.640 -20.049 4.015 566 H THR 62 H THR 62 0.962 -17.828 0.507 567 HA THR 62 HA THR 62 -1.810 -17.574 1.149 568 HB THR 62 HB THR 62 -0.049 -15.105 0.786 569 HG1 THR 62 HG1 THR 62 -1.195 -14.643 2.784 570 1HG2 THR 62 1HG2 THR 62 -2.310 -15.225 -0.645 571 2HG2 THR 62 2HG2 THR 62 -3.073 -15.002 0.947 572 3HG2 THR 62 3HG2 THR 62 -1.942 -13.777 0.323 573 MG THR 62 MG THR 62 -2.442 -14.668 0.208 574 H ASP 63 H ASP 63 0.896 -16.848 -1.113 575 HA ASP 63 HA ASP 63 -0.487 -16.528 -3.386 576 1HB ASP 63 1HB ASP 63 1.988 -16.429 -3.192 577 2HB ASP 63 2HB ASP 63 2.058 -18.166 -2.968 578 HD2 ASP 63 HD2 ASP 63 2.497 -16.353 -6.162 579 QB ASP 63 QB ASP 63 2.023 -17.298 -3.080 580 H GLY 64 H GLY 64 0.778 -19.680 -2.044 581 1HA GLY 64 1HA GLY 64 -0.587 -21.614 -1.931 582 2HA GLY 64 2HA GLY 64 -1.484 -21.064 -3.332 583 QA GLY 64 QA GLY 64 -1.035 -21.339 -2.632 584 H LYS 65 H LYS 65 1.953 -21.816 -2.393 585 HA LYS 65 HA LYS 65 2.265 -23.864 -4.215 586 1HB LYS 65 1HB LYS 65 3.668 -22.736 -5.954 587 2HB LYS 65 2HB LYS 65 1.959 -22.357 -6.033 588 1HG LYS 65 1HG LYS 65 2.483 -20.264 -4.618 589 2HG LYS 65 2HG LYS 65 4.180 -20.611 -4.885 590 1HD LYS 65 1HD LYS 65 3.161 -20.789 -7.464 591 2HD LYS 65 2HD LYS 65 2.151 -19.535 -6.772 592 1HE LYS 65 1HE LYS 65 4.372 -18.464 -5.915 593 2HE LYS 65 2HE LYS 65 5.186 -19.562 -7.011 594 QB LYS 65 QB LYS 65 2.814 -22.547 -5.994 595 QD LYS 65 QD LYS 65 2.656 -20.162 -7.118 596 QG LYS 65 QG LYS 65 3.332 -20.438 -4.752 597 QE LYS 65 QE LYS 65 4.779 -19.013 -6.463 598 QZ LYS 65 QZ LYS 65 4.101 -17.530 -8.015 599 H GLY 66 H GLY 66 3.692 -21.047 -2.519 600 1HA GLY 66 1HA GLY 66 5.153 -21.908 -0.646 601 2HA GLY 66 2HA GLY 66 6.066 -22.700 -1.915 602 QA GLY 66 QA GLY 66 5.609 -22.304 -1.281 603 H VAL 67 H VAL 67 6.377 -20.962 -3.946 604 HA VAL 67 HA VAL 67 8.381 -19.325 -3.285 605 HB VAL 67 HB VAL 67 6.276 -18.637 -5.340 606 1HG1 VAL 67 1HG1 VAL 67 8.245 -17.048 -4.795 607 2HG1 VAL 67 2HG1 VAL 67 9.261 -18.269 -5.599 608 3HG1 VAL 67 3HG1 VAL 67 7.946 -17.474 -6.498 609 1HG2 VAL 67 1HG2 VAL 67 8.051 -20.969 -5.137 610 2HG2 VAL 67 2HG2 VAL 67 6.631 -20.693 -6.173 611 3HG2 VAL 67 3HG2 VAL 67 8.225 -20.073 -6.666 612 MG1 VAL 67 MG1 VAL 67 8.484 -17.597 -5.631 613 MG2 VAL 67 MG2 VAL 67 7.636 -20.578 -5.992 614 QG VAL 67 QG VAL 67 8.060 -19.088 -5.812 615 H LEU 68 H LEU 68 8.641 -17.016 -2.896 616 HA LEU 68 HA LEU 68 6.420 -16.001 -1.290 617 1HB LEU 68 1HB LEU 68 9.366 -15.353 -1.351 618 2HB LEU 68 2HB LEU 68 8.193 -14.435 -0.428 619 HG LEU 68 HG LEU 68 9.067 -17.295 -0.023 620 1HD1 LEU 68 1HD1 LEU 68 9.038 -14.869 1.794 621 2HD1 LEU 68 2HD1 LEU 68 9.571 -16.504 2.251 622 3HD1 LEU 68 3HD1 LEU 68 10.462 -15.593 1.008 623 1HD2 LEU 68 1HD2 LEU 68 6.524 -15.974 0.849 624 2HD2 LEU 68 2HD2 LEU 68 6.822 -17.644 0.309 625 3HD2 LEU 68 3HD2 LEU 68 7.327 -17.131 1.937 626 MD1 LEU 68 MD1 LEU 68 9.691 -15.656 1.684 627 MD2 LEU 68 MD2 LEU 68 6.891 -16.917 1.032 628 QB LEU 68 QB LEU 68 8.780 -14.894 -0.889 629 QD LEU 68 QD LEU 68 8.291 -16.286 1.358 630 H SER 69 H SER 69 6.114 -13.542 -1.378 631 HA SER 69 HA SER 69 6.222 -12.800 -4.192 632 1HB SER 69 1HB SER 69 4.428 -11.545 -2.083 633 2HB SER 69 2HB SER 69 4.256 -11.463 -3.825 634 HG SER 69 HG SER 69 3.972 -13.884 -3.723 635 QB SER 69 QB SER 69 4.342 -11.504 -2.954 636 H LYS 70 H LYS 70 5.409 -9.966 -3.280 637 HA LYS 70 HA LYS 70 8.128 -9.061 -2.851 638 1HB LYS 70 1HB LYS 70 5.554 -7.755 -3.718 639 2HB LYS 70 2HB LYS 70 6.912 -6.784 -3.188 640 1HG LYS 70 1HG LYS 70 8.353 -8.128 -4.866 641 2HG LYS 70 2HG LYS 70 6.850 -8.763 -5.505 642 1HD LYS 70 1HD LYS 70 6.441 -6.852 -6.662 643 2HD LYS 70 2HD LYS 70 6.651 -5.866 -5.228 644 1HE LYS 70 1HE LYS 70 8.762 -5.251 -5.835 645 2HE LYS 70 2HE LYS 70 9.230 -6.904 -6.181 646 QB LYS 70 QB LYS 70 6.233 -7.270 -3.453 647 QD LYS 70 QD LYS 70 6.546 -6.359 -5.945 648 QG LYS 70 QG LYS 70 7.601 -8.446 -5.185 649 QE LYS 70 QE LYS 70 8.996 -6.078 -6.008 650 QZ LYS 70 QZ LYS 70 8.449 -5.353 -8.109 651 H GLN 71 H GLN 71 5.381 -7.202 -1.627 652 HA GLN 71 HA GLN 71 6.507 -6.573 0.718 653 1HB GLN 71 1HB GLN 71 3.617 -6.865 -0.127 654 2HB GLN 71 2HB GLN 71 3.989 -6.410 1.524 655 1HG GLN 71 1HG GLN 71 5.533 -4.581 0.491 656 2HG GLN 71 2HG GLN 71 4.730 -4.925 -1.028 657 2HE2 GLN 71 1HE2 GLN 71 4.781 -2.628 0.972 658 1HE2 GLN 71 2HE2 GLN 71 3.119 -2.207 1.220 659 QB GLN 71 QB GLN 71 3.803 -6.637 0.699 660 QG GLN 71 QG GLN 71 5.131 -4.753 -0.269 661 QE GLN 71 QE GLN 71 3.950 -2.417 1.096 662 H GLU 72 H GLU 72 4.965 -9.629 -0.177 663 HA GLU 72 HA GLU 72 4.271 -10.629 2.238 664 1HB GLU 72 1HB GLU 72 5.306 -11.850 -0.313 665 2HB GLU 72 2HB GLU 72 5.148 -12.891 1.088 666 1HG GLU 72 1HG GLU 72 2.763 -11.257 0.887 667 2HG GLU 72 2HG GLU 72 3.075 -11.978 -0.680 668 HE2 GLU 72 HE2 GLU 72 2.331 -15.087 0.126 669 QB GLU 72 QB GLU 72 5.227 -12.370 0.388 670 QG GLU 72 QG GLU 72 2.919 -11.617 0.103 671 H PHE 73 H PHE 73 7.419 -11.474 0.614 672 HA PHE 73 HA PHE 73 8.635 -12.583 2.773 673 1HB PHE 73 1HB PHE 73 9.576 -12.594 0.497 674 2HB PHE 73 2HB PHE 73 9.617 -10.843 0.444 675 HD1 PHE 73 HD1 PHE 73 11.159 -9.700 2.240 676 HD2 PHE 73 HD2 PHE 73 11.517 -13.747 1.013 677 HE1 PHE 73 HE1 PHE 73 13.540 -9.731 3.036 678 HE2 PHE 73 HE2 PHE 73 13.898 -13.778 1.809 679 HZ PHE 73 HZ PHE 73 14.880 -11.770 2.811 680 QB PHE 73 QB PHE 73 9.597 -11.719 0.471 681 QD PHE 73 QD PHE 73 11.338 -11.724 1.626 682 QE PHE 73 QE PHE 73 13.719 -11.755 2.422 683 QR PHE 73 QR PHE 73 12.528 -11.739 2.024 684 H PHE 74 H PHE 74 8.570 -9.089 1.828 685 HA PHE 74 HA PHE 74 10.297 -8.233 3.848 686 1HB PHE 74 1HB PHE 74 8.287 -7.168 1.897 687 2HB PHE 74 2HB PHE 74 8.486 -6.148 3.308 688 HD1 PHE 74 HD1 PHE 74 10.816 -8.096 1.121 689 HD2 PHE 74 HD2 PHE 74 9.877 -4.366 2.914 690 HE1 PHE 74 HE1 PHE 74 12.876 -7.086 0.101 691 HE2 PHE 74 HE2 PHE 74 11.936 -3.357 1.894 692 HZ PHE 74 HZ PHE 74 13.411 -4.729 0.500 693 QB PHE 74 QB PHE 74 8.386 -6.658 2.603 694 QD PHE 74 QD PHE 74 10.346 -6.231 2.018 695 QE PHE 74 QE PHE 74 12.406 -5.222 0.998 696 QR PHE 74 QR PHE 74 11.376 -5.726 1.508 697 H VAL 75 H VAL 75 6.914 -9.205 3.877 698 HA VAL 75 HA VAL 75 6.240 -7.748 6.235 699 HB VAL 75 HB VAL 75 4.968 -9.433 4.266 700 1HG1 VAL 75 1HG1 VAL 75 4.418 -10.057 7.174 701 2HG1 VAL 75 2HG1 VAL 75 3.202 -10.315 5.900 702 3HG1 VAL 75 3HG1 VAL 75 4.756 -11.182 5.837 703 1HG2 VAL 75 1HG2 VAL 75 4.564 -6.975 5.467 704 2HG2 VAL 75 2HG2 VAL 75 3.433 -7.800 4.368 705 3HG2 VAL 75 3HG2 VAL 75 3.243 -7.966 6.130 706 MG1 VAL 75 MG1 VAL 75 4.125 -10.518 6.304 707 MG2 VAL 75 MG2 VAL 75 3.747 -7.580 5.322 708 QG VAL 75 QG VAL 75 3.936 -9.049 5.813 709 H ALA 76 H ALA 76 6.822 -11.266 5.513 710 HA ALA 76 HA ALA 76 6.674 -12.203 8.072 711 1HB ALA 76 3HB ALA 76 7.622 -14.135 7.205 712 2HB ALA 76 1HB ALA 76 7.098 -13.328 5.707 713 3HB ALA 76 2HB ALA 76 8.802 -13.241 6.216 714 MB ALA 76 MB ALA 76 7.841 -13.568 6.376 715 H LEU 77 H LEU 77 9.519 -10.758 6.362 716 HA LEU 77 HA LEU 77 11.420 -11.168 8.279 717 1HB LEU 77 1HB LEU 77 11.018 -9.474 5.981 718 2HB LEU 77 2HB LEU 77 11.861 -8.592 7.240 719 HG LEU 77 HG LEU 77 12.715 -11.187 5.936 720 1HD1 LEU 77 1HD1 LEU 77 13.028 -8.812 4.863 721 2HD1 LEU 77 2HD1 LEU 77 14.363 -8.688 6.034 722 3HD1 LEU 77 3HD1 LEU 77 14.349 -10.005 4.837 723 1HD2 LEU 77 1HD2 LEU 77 13.228 -10.395 8.589 724 2HD2 LEU 77 2HD2 LEU 77 14.013 -11.696 7.661 725 3HD2 LEU 77 3HD2 LEU 77 14.718 -10.061 7.673 726 MD1 LEU 77 MD1 LEU 77 13.913 -9.168 5.245 727 MD2 LEU 77 MD2 LEU 77 13.986 -10.717 7.974 728 QB LEU 77 QB LEU 77 11.439 -9.033 6.610 729 QD LEU 77 QD LEU 77 13.950 -9.943 6.609 730 H ARG 78 H ARG 78 9.633 -8.023 7.917 731 HA ARG 78 HA ARG 78 10.385 -7.022 10.311 732 1HB ARG 78 1HB ARG 78 7.956 -6.613 8.549 733 2HB ARG 78 2HB ARG 78 7.999 -5.812 10.107 734 1HG ARG 78 1HG ARG 78 10.087 -5.556 7.892 735 2HG ARG 78 2HG ARG 78 8.926 -4.331 8.363 736 1HD ARG 78 2HD ARG 78 10.120 -4.827 10.793 737 2HD ARG 78 1HD ARG 78 10.617 -3.551 9.700 738 HE ARG 78 HE ARG 78 11.850 -6.203 9.234 739 1HH1 ARG 78 1HH1 ARG 78 12.181 -2.979 10.666 740 2HH1 ARG 78 2HH1 ARG 78 13.907 -3.073 10.784 741 2HH2 ARG 78 HH2 ARG 78 15.029 -5.051 10.028 742 QB ARG 78 QB ARG 78 7.978 -6.212 9.328 743 QG ARG 78 QG ARG 78 9.507 -4.944 8.127 744 QD ARG 78 QD ARG 78 10.369 -4.189 10.246 745 QH1 ARG 78 QH1 ARG 78 13.044 -3.026 10.725 746 H LEU 79 H LEU 79 7.773 -9.337 9.531 747 HA LEU 79 HA LEU 79 6.269 -9.180 11.827 748 1HB LEU 79 1HB LEU 79 6.046 -10.550 9.606 749 2HB LEU 79 2HB LEU 79 6.853 -11.809 10.520 750 HG LEU 79 HG LEU 79 4.247 -10.465 11.289 751 1HD1 LEU 79 1HD1 LEU 79 4.820 -12.620 9.477 752 2HD1 LEU 79 2HD1 LEU 79 3.903 -13.236 10.873 753 3HD1 LEU 79 3HD1 LEU 79 3.256 -11.888 9.908 754 1HD2 LEU 79 1HD2 LEU 79 6.114 -12.130 12.799 755 2HD2 LEU 79 2HD2 LEU 79 4.738 -11.146 13.355 756 3HD2 LEU 79 3HD2 LEU 79 4.465 -12.798 12.752 757 MD1 LEU 79 MD1 LEU 79 3.993 -12.582 10.086 758 MD2 LEU 79 MD2 LEU 79 5.106 -12.025 12.968 759 QB LEU 79 QB LEU 79 6.450 -11.180 10.063 760 QD LEU 79 QD LEU 79 4.549 -12.303 11.527 761 H VAL 80 H VAL 80 9.373 -10.888 11.203 762 HA VAL 80 HA VAL 80 9.500 -12.368 13.519 763 HB VAL 80 HB VAL 80 11.651 -11.007 11.891 764 1HG1 VAL 80 1HG1 VAL 80 12.002 -12.015 14.438 765 2HG1 VAL 80 2HG1 VAL 80 12.427 -13.401 13.405 766 3HG1 VAL 80 3HG1 VAL 80 13.271 -11.847 13.201 767 1HG2 VAL 80 1HG2 VAL 80 9.955 -13.250 11.396 768 2HG2 VAL 80 2HG2 VAL 80 11.284 -12.617 10.395 769 3HG2 VAL 80 3HG2 VAL 80 11.612 -13.854 11.632 770 MG1 VAL 80 MG1 VAL 80 12.567 -12.421 13.682 771 MG2 VAL 80 MG2 VAL 80 10.950 -13.240 11.141 772 QG VAL 80 QG VAL 80 11.759 -12.831 12.411 773 H ALA 81 H ALA 81 10.541 -8.951 12.914 774 HA ALA 81 HA ALA 81 11.589 -8.455 15.418 775 1HB ALA 81 1HB ALA 81 10.668 -6.958 13.075 776 2HB ALA 81 2HB ALA 81 10.395 -6.068 14.592 777 3HB ALA 81 3HB ALA 81 12.031 -6.629 14.171 778 MB ALA 81 MB ALA 81 11.032 -6.552 13.946 779 H CYS 82 H CYS 82 8.302 -9.071 14.433 780 HA CYS 82 HA CYS 82 7.065 -7.619 16.526 781 1HB CYS 82 1HB CYS 82 6.117 -8.589 14.234 782 2HB CYS 82 2HB CYS 82 5.723 -9.969 15.239 783 HG CYS 82 HG CYS 82 3.741 -8.673 15.547 784 QB CYS 82 QB CYS 82 5.920 -9.279 14.736 785 H ALA 83 H ALA 83 7.051 -11.207 15.926 786 HA ALA 83 HA ALA 83 6.494 -11.927 18.519 787 1HB ALA 83 3HB ALA 83 6.238 -13.536 16.799 788 2HB ALA 83 1HB ALA 83 7.907 -13.311 16.222 789 3HB ALA 83 2HB ALA 83 7.604 -14.135 17.770 790 MB ALA 83 MB ALA 83 7.250 -13.660 16.930 791 H GLN 84 H GLN 84 9.443 -10.665 17.125 792 HA GLN 84 HA GLN 84 11.285 -11.831 18.811 793 1HB GLN 84 1HB GLN 84 11.191 -9.229 17.268 794 2HB GLN 84 2HB GLN 84 12.547 -9.558 18.329 795 1HG GLN 84 1HG GLN 84 11.887 -11.883 16.641 796 2HG GLN 84 2HG GLN 84 12.244 -10.462 15.680 797 2HE2 GLN 84 1HE2 GLN 84 14.121 -9.109 16.834 798 1HE2 GLN 84 2HE2 GLN 84 15.568 -10.014 17.127 799 QB GLN 84 QB GLN 84 11.869 -9.394 17.798 800 QG GLN 84 QG GLN 84 12.065 -11.173 16.161 801 QE GLN 84 QE GLN 84 14.845 -9.561 16.981 802 H ASN 85 H ASN 85 8.885 -9.305 19.357 803 HA ASN 85 HA ASN 85 10.152 -8.716 21.908 804 1HB ASN 85 1HB ASN 85 9.395 -6.879 20.147 805 2HB ASN 85 2HB ASN 85 7.780 -7.201 20.747 806 2HD2 ASN 85 1HD2 ASN 85 11.085 -6.470 21.817 807 1HD2 ASN 85 2HD2 ASN 85 10.668 -5.493 23.186 808 QB ASN 85 QB ASN 85 8.588 -7.040 20.447 809 QD ASN 85 QD ASN 85 10.877 -5.982 22.502 810 H GLY 86 H GLY 86 8.322 -11.073 20.896 811 1HA GLY 86 1HA GLY 86 6.861 -12.427 21.982 812 2HA GLY 86 2HA GLY 86 6.715 -11.247 23.270 813 QA GLY 86 QA GLY 86 6.788 -11.837 22.626 814 H LEU 87 H LEU 87 6.291 -9.974 20.042 815 HA LEU 87 HA LEU 87 3.548 -9.388 20.636 816 1HB LEU 87 1HB LEU 87 5.352 -8.755 18.302 817 2HB LEU 87 2HB LEU 87 3.675 -8.254 18.391 818 HG LEU 87 HG LEU 87 5.832 -7.473 20.373 819 1HD1 LEU 87 1HD1 LEU 87 4.584 -5.887 18.112 820 2HD1 LEU 87 2HD1 LEU 87 5.686 -5.237 19.350 821 3HD1 LEU 87 3HD1 LEU 87 6.263 -6.471 18.204 822 1HD2 LEU 87 1HD2 LEU 87 2.891 -7.068 20.291 823 2HD2 LEU 87 2HD2 LEU 87 4.001 -7.203 21.676 824 3HD2 LEU 87 3HD2 LEU 87 3.885 -5.673 20.773 825 MD1 LEU 87 MD1 LEU 87 5.511 -5.865 18.555 826 MD2 LEU 87 MD2 LEU 87 3.592 -6.648 20.913 827 QB LEU 87 QB LEU 87 4.514 -8.505 18.346 828 QD LEU 87 QD LEU 87 4.552 -6.256 19.734 829 H GLU 88 H GLU 88 1.954 -9.667 18.619 830 HA GLU 88 HA GLU 88 1.455 -12.362 18.468 831 1HB GLU 88 1HB GLU 88 0.051 -10.110 17.885 832 2HB GLU 88 2HB GLU 88 0.439 -10.617 16.253 833 1HG GLU 88 1HG GLU 88 -1.142 -12.239 16.334 834 2HG GLU 88 2HG GLU 88 -0.384 -12.955 17.743 835 HE2 GLU 88 HE2 GLU 88 -3.321 -12.100 17.052 836 QB GLU 88 QB GLU 88 0.245 -10.364 17.070 837 QG GLU 88 QG GLU 88 -0.763 -12.597 17.038 838 H VAL 89 H VAL 89 1.197 -13.617 16.283 839 HA VAL 89 HA VAL 89 3.702 -13.245 14.798 840 HB VAL 89 HB VAL 89 2.030 -15.743 15.114 841 1HG1 VAL 89 1HG1 VAL 89 4.178 -15.058 13.364 842 2HG1 VAL 89 2HG1 VAL 89 4.787 -16.244 14.543 843 3HG1 VAL 89 3HG1 VAL 89 3.356 -16.625 13.555 844 1HG2 VAL 89 1HG2 VAL 89 3.039 -14.826 17.269 845 2HG2 VAL 89 2HG2 VAL 89 3.491 -16.489 16.824 846 3HG2 VAL 89 3HG2 VAL 89 4.632 -15.151 16.544 847 MG1 VAL 89 MG1 VAL 89 4.107 -15.976 13.821 848 MG2 VAL 89 MG2 VAL 89 3.721 -15.489 16.879 849 QG VAL 89 QG VAL 89 3.914 -15.732 15.350 850 H SER 90 H SER 90 0.269 -12.973 14.689 851 HA SER 90 HA SER 90 0.217 -13.412 11.834 852 1HB SER 90 1HB SER 90 -1.963 -12.839 13.883 853 2HB SER 90 2HB SER 90 -2.282 -12.933 12.162 854 HG SER 90 HG SER 90 -2.633 -14.968 13.351 855 QB SER 90 QB SER 90 -2.123 -12.886 13.022 856 H LEU 91 H LEU 91 -0.535 -11.725 10.343 857 HA LEU 91 HA LEU 91 0.581 -9.226 10.865 858 1HB LEU 91 1HB LEU 91 -1.000 -10.510 8.732 859 2HB LEU 91 2HB LEU 91 -1.137 -8.765 8.809 860 HG LEU 91 HG LEU 91 1.532 -10.187 8.717 861 1HD1 LEU 91 1HD1 LEU 91 -0.389 -10.156 6.662 862 2HD1 LEU 91 2HD1 LEU 91 0.823 -8.930 6.221 863 3HD1 LEU 91 3HD1 LEU 91 1.330 -10.605 6.548 864 1HD2 LEU 91 1HD2 LEU 91 0.740 -7.460 9.080 865 2HD2 LEU 91 2HD2 LEU 91 2.375 -8.161 9.024 866 3HD2 LEU 91 3HD2 LEU 91 1.589 -7.615 7.523 867 MD1 LEU 91 MD1 LEU 91 0.588 -9.897 6.477 868 MD2 LEU 91 MD2 LEU 91 1.568 -7.746 8.542 869 QB LEU 91 QB LEU 91 -1.068 -9.638 8.770 870 QD LEU 91 QD LEU 91 1.078 -8.821 7.509 871 H SER 92 H SER 92 -2.540 -10.630 11.657 872 HA SER 92 HA SER 92 -4.125 -8.435 11.746 873 1HB SER 92 2HB SER 92 -5.482 -9.649 13.342 874 2HB SER 92 1HB SER 92 -4.107 -10.576 13.909 875 HG SER 92 HG SER 92 -5.639 -11.638 12.319 876 QB SER 92 QB SER 92 -4.795 -10.113 13.625 877 H SER 93 H SER 93 -1.290 -9.170 13.649 878 HA SER 93 HA SER 93 -1.976 -6.946 15.409 879 1HB SER 93 1HB SER 93 -1.277 -9.612 16.101 880 2HB SER 93 2HB SER 93 0.144 -8.652 16.463 881 HG SER 93 HG SER 93 -2.194 -8.819 17.855 882 QB SER 93 QB SER 93 -0.566 -9.132 16.282 883 H LEU 94 H LEU 94 -0.772 -6.756 12.749 884 HA LEU 94 HA LEU 94 1.962 -5.971 13.488 885 1HB LEU 94 1HB LEU 94 0.806 -7.258 11.068 886 2HB LEU 94 2HB LEU 94 2.092 -6.092 10.824 887 HG LEU 94 HG LEU 94 2.961 -8.365 10.919 888 1HD1 LEU 94 1HD1 LEU 94 3.791 -6.228 12.728 889 2HD1 LEU 94 2HD1 LEU 94 4.330 -7.838 13.263 890 3HD1 LEU 94 3HD1 LEU 94 4.755 -7.252 11.637 891 1HD2 LEU 94 1HD2 LEU 94 1.148 -8.610 13.148 892 2HD2 LEU 94 2HD2 LEU 94 2.019 -9.873 12.245 893 3HD2 LEU 94 3HD2 LEU 94 2.795 -9.075 13.634 894 MD1 LEU 94 MD1 LEU 94 4.292 -7.106 12.543 895 MD2 LEU 94 MD2 LEU 94 1.987 -9.186 13.009 896 QB LEU 94 QB LEU 94 1.449 -6.675 10.946 897 QD LEU 94 QD LEU 94 3.140 -8.146 12.776 898 H SER 95 H SER 95 2.681 -4.192 11.648 899 HA SER 95 HA SER 95 2.371 -2.210 10.771 900 1HB SER 95 1HB SER 95 0.303 -1.461 10.028 901 2HB SER 95 2HB SER 95 -0.050 -3.163 10.246 902 HG SER 95 HG SER 95 -0.760 -0.947 11.941 903 QB SER 95 QB SER 95 0.127 -2.312 10.137 904 H LEU 96 H LEU 96 2.849 -2.921 13.671 905 HA LEU 96 HA LEU 96 1.891 -0.433 14.900 906 1HB LEU 96 2HB LEU 96 1.626 -1.498 16.853 907 2HB LEU 96 1HB LEU 96 3.035 -2.515 16.630 908 HG LEU 96 HG LEU 96 1.577 -3.800 14.906 909 1HD1 LEU 96 1HD1 LEU 96 1.566 -3.912 17.876 910 2HD1 LEU 96 2HD1 LEU 96 0.358 -4.902 17.022 911 3HD1 LEU 96 3HD1 LEU 96 2.090 -5.117 16.675 912 1HD2 LEU 96 1HD2 LEU 96 -0.225 -1.806 15.386 913 2HD2 LEU 96 2HD2 LEU 96 -0.624 -3.412 14.731 914 3HD2 LEU 96 3HD2 LEU 96 -0.813 -3.089 16.471 915 MD1 LEU 96 MD1 LEU 96 1.338 -4.644 17.191 916 MD2 LEU 96 MD2 LEU 96 -0.554 -2.769 15.530 917 QB LEU 96 QB LEU 96 2.330 -2.006 16.741 918 QD LEU 96 QD LEU 96 0.392 -3.706 16.360 919 H ALA 97 H ALA 97 3.811 -0.452 17.046 920 HA ALA 97 HA ALA 97 6.164 0.348 15.494 921 1HB ALA 97 2HB ALA 97 6.250 1.213 18.229 922 2HB ALA 97 3HB ALA 97 6.071 2.200 16.758 923 3HB ALA 97 1HB ALA 97 4.628 1.562 17.583 924 MB ALA 97 MB ALA 97 5.649 1.658 17.523 925 H VAL 98 H VAL 98 6.455 -2.166 15.415 926 HA VAL 98 HA VAL 98 7.281 -3.389 17.855 927 HB VAL 98 HB VAL 98 7.767 -5.283 16.490 928 1HG1 VAL 98 1HG1 VAL 98 5.266 -3.928 16.451 929 2HG1 VAL 98 2HG1 VAL 98 5.499 -4.659 14.845 930 3HG1 VAL 98 3HG1 VAL 98 5.580 -5.674 16.305 931 1HG2 VAL 98 1HG2 VAL 98 7.559 -3.411 14.107 932 2HG2 VAL 98 2HG2 VAL 98 9.021 -4.238 14.696 933 3HG2 VAL 98 3HG2 VAL 98 7.680 -5.184 14.006 934 MG1 VAL 98 MG1 VAL 98 5.449 -4.754 15.867 935 MG2 VAL 98 MG2 VAL 98 8.087 -4.278 14.270 936 QG VAL 98 QG VAL 98 6.768 -4.516 15.068 937 HA PRO 99 HA PRO 99 11.450 -2.260 17.807 938 1HB PRO 99 1HB PRO 99 12.659 -4.394 19.014 939 2HB PRO 99 2HB PRO 99 11.806 -3.147 19.902 940 1HG PRO 99 1HG PRO 99 10.944 -5.908 19.295 941 2HG PRO 99 2HG PRO 99 10.325 -4.807 20.510 942 1HD PRO 99 1HD PRO 99 9.097 -5.460 18.001 943 2HD PRO 99 2HD PRO 99 8.539 -4.274 19.164 944 QB PRO 99 QB PRO 99 12.233 -3.770 19.458 945 QG PRO 99 QG PRO 99 10.634 -5.358 19.902 946 QD PRO 99 QD PRO 99 8.818 -4.867 18.583 947 HA PRO 100 HA PRO 100 13.722 -3.855 14.592 948 1HB PRO 100 1HB PRO 100 16.342 -3.654 15.343 949 2HB PRO 100 2HB PRO 100 15.403 -2.292 14.766 950 1HG PRO 100 1HG PRO 100 16.231 -2.934 17.530 951 2HG PRO 100 2HG PRO 100 15.679 -1.404 16.877 952 1HD PRO 100 1HD PRO 100 14.164 -3.226 18.494 953 2HD PRO 100 2HD PRO 100 13.579 -1.754 17.744 954 QB PRO 100 QB PRO 100 15.873 -2.973 15.055 955 QG PRO 100 QG PRO 100 15.955 -2.169 17.204 956 QD PRO 100 QD PRO 100 13.872 -2.490 18.119 957 HA PRO 101 HA PRO 101 14.401 -8.014 15.128 958 1HB PRO 101 1HB PRO 101 15.257 -8.717 12.630 959 2HB PRO 101 2HB PRO 101 13.565 -8.522 13.044 960 1HG PRO 101 1HG PRO 101 15.312 -6.716 11.487 961 2HG PRO 101 2HG PRO 101 13.561 -6.763 11.553 962 1HD PRO 101 1HD PRO 101 15.278 -4.870 12.857 963 2HD PRO 101 2HD PRO 101 13.536 -4.989 13.015 964 QB PRO 101 QB PRO 101 14.411 -8.619 12.837 965 QG PRO 101 QG PRO 101 14.437 -6.739 11.520 966 QD PRO 101 QD PRO 101 14.407 -4.929 12.936 967 H ARG 102 H ARG 102 16.282 -9.701 13.962 968 HA ARG 102 HA ARG 102 18.582 -8.665 15.385 969 1HB ARG 102 1HB ARG 102 17.344 -11.104 15.592 970 2HB ARG 102 2HB ARG 102 18.549 -11.495 14.381 971 1HG ARG 102 1HG ARG 102 20.136 -11.632 15.991 972 2HG ARG 102 2HG ARG 102 19.882 -9.946 16.396 973 1HD ARG 102 1HD ARG 102 17.870 -11.931 17.443 974 2HD ARG 102 2HD ARG 102 19.459 -11.934 18.183 975 HE ARG 102 HE ARG 102 18.313 -9.248 17.917 976 1HH1 ARG 102 1HH1 ARG 102 18.496 -12.124 19.979 977 2HH1 ARG 102 2HH1 ARG 102 18.082 -11.266 21.425 978 2HH2 ARG 102 HH2 ARG 102 17.658 -8.910 21.311 979 QB ARG 102 QB ARG 102 17.947 -11.299 14.987 980 QG ARG 102 QG ARG 102 20.009 -10.789 16.193 981 QD ARG 102 QD ARG 102 18.665 -11.932 17.813 982 QH1 ARG 102 QH1 ARG 102 18.289 -11.695 20.702 983 H PHE 103 H PHE 103 17.384 -9.755 12.220 984 HA PHE 103 HA PHE 103 19.528 -10.417 10.800 985 1HB PHE 103 1HB PHE 103 17.588 -8.194 9.952 986 2HB PHE 103 2HB PHE 103 18.313 -9.400 8.908 987 HD1 PHE 103 HD1 PHE 103 17.720 -11.905 9.552 988 HD2 PHE 103 HD2 PHE 103 15.412 -8.518 10.651 989 HE1 PHE 103 HE1 PHE 103 15.707 -13.374 9.850 990 HE2 PHE 103 HE2 PHE 103 13.398 -9.987 10.949 991 HZ PHE 103 HZ PHE 103 13.570 -12.398 10.545 992 QB PHE 103 QB PHE 103 17.951 -8.797 9.430 993 QD PHE 103 QD PHE 103 16.566 -10.211 10.101 994 QE PHE 103 QE PHE 103 14.553 -11.681 10.399 995 QR PHE 103 QR PHE 103 15.559 -10.946 10.250 996 H HIS 104 H HIS 104 20.948 -9.173 9.255 997 HA HIS 104 HA HIS 104 22.398 -7.248 10.691 998 1HB HIS 104 1HB HIS 104 22.564 -8.620 8.085 999 2HB HIS 104 2HB HIS 104 23.275 -7.019 8.100 1000 HD1 HIS 104 HD1 HIS 104 25.568 -8.439 7.737 1001 HD2 HIS 104 HD2 HIS 104 23.735 -8.763 11.496 1002 HE1 HIS 104 HE1 HIS 104 27.335 -9.387 9.314 1003 QB HIS 104 QB HIS 104 22.920 -7.819 8.093 1004 H ASP 105 H ASP 105 22.990 -5.031 9.654 1005 HA ASP 105 HA ASP 105 20.948 -3.361 9.839 1006 1HB ASP 105 1HB ASP 105 23.630 -3.244 8.898 1007 2HB ASP 105 2HB ASP 105 22.677 -2.471 7.648 1008 HD2 ASP 105 HD2 ASP 105 24.478 -1.559 10.006 1009 QB ASP 105 QB ASP 105 23.153 -2.858 8.273 No H/Q in entry = 1009 Start of MODEL 17 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.697 0.894 -1.252 3 1HB LEU 7 1HB LEU 7 2.508 -2.057 -0.846 4 2HB LEU 7 2HB LEU 7 3.174 -1.463 -2.354 5 HG LEU 7 HG LEU 7 4.271 -0.296 0.162 6 1HD1 LEU 7 1HD1 LEU 7 3.978 -2.873 0.409 7 2HD1 LEU 7 2HD1 LEU 7 5.339 -2.956 -0.735 8 3HD1 LEU 7 3HD1 LEU 7 5.534 -2.115 0.822 9 1HD2 LEU 7 1HD2 LEU 7 5.011 -0.554 -2.638 10 2HD2 LEU 7 2HD2 LEU 7 5.617 0.560 -1.388 11 3HD2 LEU 7 3HD2 LEU 7 6.325 -1.065 -1.551 12 MD1 LEU 7 MD1 LEU 7 4.950 -2.648 0.166 13 MD2 LEU 7 MD2 LEU 7 5.651 -0.353 -1.859 14 QB LEU 7 QB LEU 7 2.841 -1.760 -1.600 15 QD LEU 7 QD LEU 7 5.301 -1.500 -0.847 16 H SER 8 H SER 8 2.633 -0.166 -3.770 17 HA SER 8 HA SER 8 0.316 0.974 -4.773 18 1HB SER 8 1HB SER 8 2.603 -0.621 -5.894 19 2HB SER 8 2HB SER 8 1.178 -0.454 -6.900 20 HG SER 8 HG SER 8 3.050 1.268 -6.887 21 QB SER 8 QB SER 8 1.891 -0.538 -6.397 22 H LEU 9 H LEU 9 -0.992 -0.443 -6.591 23 HA LEU 9 HA LEU 9 -2.647 -2.133 -5.172 24 1HB LEU 9 1HB LEU 9 -2.223 -2.209 -8.155 25 2HB LEU 9 2HB LEU 9 -3.669 -2.633 -7.261 26 HG LEU 9 HG LEU 9 -2.506 0.135 -7.648 27 1HD1 LEU 9 1HD1 LEU 9 -4.086 -1.295 -9.342 28 2HD1 LEU 9 2HD1 LEU 9 -5.306 -0.436 -8.373 29 3HD1 LEU 9 3HD1 LEU 9 -4.051 0.481 -9.239 30 1HD2 LEU 9 1HD2 LEU 9 -4.114 -0.847 -5.477 31 2HD2 LEU 9 2HD2 LEU 9 -3.480 0.791 -5.768 32 3HD2 LEU 9 3HD2 LEU 9 -5.055 0.312 -6.446 33 MD1 LEU 9 MD1 LEU 9 -4.481 -0.417 -8.985 34 MD2 LEU 9 MD2 LEU 9 -4.216 0.085 -5.897 35 QB LEU 9 QB LEU 9 -2.946 -2.421 -7.708 36 QD LEU 9 QD LEU 9 -4.348 -0.166 -7.441 37 H THR 10 H THR 10 0.347 -2.787 -7.011 38 HA THR 10 HA THR 10 0.194 -5.496 -7.332 39 HB THR 10 HB THR 10 2.496 -3.606 -6.649 40 HG1 THR 10 HG1 THR 10 1.538 -5.084 -9.000 41 1HG2 THR 10 1HG2 THR 10 2.721 -6.343 -6.336 42 2HG2 THR 10 2HG2 THR 10 3.031 -6.173 -8.081 43 3HG2 THR 10 3HG2 THR 10 4.047 -5.302 -6.907 44 MG THR 10 MG THR 10 3.266 -5.939 -7.108 45 H GLN 11 H GLN 11 2.050 -4.099 -4.558 46 HA GLN 11 HA GLN 11 2.016 -6.460 -3.158 47 1HB GLN 11 1HB GLN 11 2.921 -3.751 -2.765 48 2HB GLN 11 2HB GLN 11 2.113 -4.266 -1.299 49 1HG GLN 11 1HG GLN 11 4.288 -5.877 -2.716 50 2HG GLN 11 2HG GLN 11 4.578 -4.822 -1.347 51 2HE2 GLN 11 1HE2 GLN 11 3.586 -5.283 0.673 52 1HE2 GLN 11 2HE2 GLN 11 3.145 -6.898 1.115 53 QB GLN 11 QB GLN 11 2.517 -4.008 -2.032 54 QG GLN 11 QG GLN 11 4.433 -5.349 -2.032 55 QE GLN 11 QE GLN 11 3.366 -6.090 0.894 56 H LEU 12 H LEU 12 -0.375 -3.838 -3.384 57 HA LEU 12 HA LEU 12 -1.832 -4.416 -1.080 58 1HB LEU 12 1HB LEU 12 -1.897 -2.446 -2.806 59 2HB LEU 12 2HB LEU 12 -3.118 -3.425 -3.595 60 HG LEU 12 HG LEU 12 -4.098 -1.733 -2.120 61 1HD1 LEU 12 1HD1 LEU 12 -4.960 -4.237 -2.445 62 2HD1 LEU 12 2HD1 LEU 12 -4.731 -4.262 -0.680 63 3HD1 LEU 12 3HD1 LEU 12 -5.809 -3.054 -1.421 64 1HD2 LEU 12 1HD2 LEU 12 -2.169 -1.750 -0.484 65 2HD2 LEU 12 2HD2 LEU 12 -3.798 -1.672 0.227 66 3HD2 LEU 12 3HD2 LEU 12 -2.898 -3.208 0.230 67 MD1 LEU 12 MD1 LEU 12 -5.167 -3.851 -1.516 68 MD2 LEU 12 MD2 LEU 12 -2.955 -2.210 -0.009 69 QB LEU 12 QB LEU 12 -2.507 -2.936 -3.201 70 QD LEU 12 QD LEU 12 -4.061 -3.030 -0.762 71 H SER 13 H SER 13 -1.285 -6.281 -3.917 72 HA SER 13 HA SER 13 -3.264 -8.146 -2.982 73 1HB SER 13 1HB SER 13 -3.811 -6.480 -5.209 74 2HB SER 13 2HB SER 13 -3.375 -8.029 -5.902 75 HG SER 13 HG SER 13 -5.163 -8.056 -3.684 76 QB SER 13 QB SER 13 -3.593 -7.254 -5.555 77 H SER 14 H SER 14 -0.314 -7.948 -2.962 78 HA SER 14 HA SER 14 1.500 -9.013 -3.549 79 1HB SER 14 1HB SER 14 -0.479 -10.898 -2.777 80 2HB SER 14 2HB SER 14 0.346 -11.629 -4.139 81 HG SER 14 HG SER 14 1.999 -10.400 -2.186 82 QB SER 14 QB SER 14 -0.067 -11.263 -3.458 83 H GLY 15 H GLY 15 -0.136 -7.807 -5.793 84 1HA GLY 15 1HA GLY 15 0.501 -7.568 -8.002 85 2HA GLY 15 2HA GLY 15 1.261 -9.147 -7.977 86 QA GLY 15 QA GLY 15 0.881 -8.357 -7.989 87 H ASN 16 H ASN 16 -2.077 -7.851 -7.300 88 HA ASN 16 HA ASN 16 -3.027 -9.822 -9.222 89 1HB ASN 16 1HB ASN 16 -3.440 -10.166 -6.566 90 2HB ASN 16 2HB ASN 16 -4.760 -9.053 -6.867 91 2HD2 ASN 16 1HD2 ASN 16 -5.563 -11.351 -6.028 92 1HD2 ASN 16 2HD2 ASN 16 -6.204 -12.380 -7.264 93 QB ASN 16 QB ASN 16 -4.100 -9.609 -6.716 94 QD ASN 16 QD ASN 16 -5.883 -11.866 -6.646 95 HA PRO 17 HA PRO 17 -4.644 -5.784 -10.382 96 1HB PRO 17 1HB PRO 17 -4.697 -6.219 -13.079 97 2HB PRO 17 2HB PRO 17 -3.311 -5.546 -12.244 98 1HG PRO 17 1HG PRO 17 -3.681 -8.273 -13.323 99 2HG PRO 17 2HG PRO 17 -2.193 -7.461 -12.880 100 1HD PRO 17 1HD PRO 17 -3.561 -9.480 -11.371 101 2HD PRO 17 2HD PRO 17 -2.138 -8.585 -10.875 102 QB PRO 17 QB PRO 17 -4.004 -5.882 -12.662 103 QG PRO 17 QG PRO 17 -2.937 -7.867 -13.102 104 QD PRO 17 QD PRO 17 -2.850 -9.033 -11.123 105 H VAL 18 H VAL 18 -5.851 -8.874 -10.491 106 HA VAL 18 HA VAL 18 -8.098 -8.793 -11.956 107 HB VAL 18 HB VAL 18 -7.398 -10.700 -10.666 108 1HG1 VAL 18 1HG1 VAL 18 -6.753 -9.186 -8.641 109 2HG1 VAL 18 2HG1 VAL 18 -8.429 -9.474 -8.116 110 3HG1 VAL 18 3HG1 VAL 18 -7.320 -10.847 -8.346 111 1HG2 VAL 18 1HG2 VAL 18 -10.036 -9.862 -10.990 112 2HG2 VAL 18 2HG2 VAL 18 -9.482 -11.513 -10.620 113 3HG2 VAL 18 3HG2 VAL 18 -9.962 -10.418 -9.301 114 MG1 VAL 18 MG1 VAL 18 -7.501 -9.836 -8.367 115 MG2 VAL 18 MG2 VAL 18 -9.827 -10.598 -10.304 116 QG VAL 18 QG VAL 18 -8.664 -10.217 -9.335 117 H TYR 19 H TYR 19 -7.442 -7.027 -8.916 118 HA TYR 19 HA TYR 19 -10.092 -6.202 -8.460 119 1HB TYR 19 1HB TYR 19 -7.344 -5.846 -7.504 120 2HB TYR 19 2HB TYR 19 -8.086 -4.263 -7.625 121 HD1 TYR 19 HD1 TYR 19 -10.020 -7.315 -6.825 122 HD2 TYR 19 HD2 TYR 19 -8.107 -3.826 -5.254 123 HE1 TYR 19 HE1 TYR 19 -11.174 -7.680 -4.590 124 HE2 TYR 19 HE2 TYR 19 -9.267 -4.203 -3.023 125 HH TYR 19 HH TYR 19 -11.319 -7.053 -2.518 126 QB TYR 19 QB TYR 19 -7.715 -5.055 -7.564 127 QD TYR 19 QD TYR 19 -9.064 -5.570 -6.040 128 QE TYR 19 QE TYR 19 -10.220 -5.942 -3.806 129 QR TYR 19 QR TYR 19 -9.642 -5.756 -4.923 130 H GLU 20 H GLU 20 -7.304 -4.683 -10.201 131 HA GLU 20 HA GLU 20 -8.282 -2.247 -10.667 132 1HB GLU 20 1HB GLU 20 -6.348 -4.009 -11.907 133 2HB GLU 20 2HB GLU 20 -7.187 -3.122 -13.165 134 1HG GLU 20 1HG GLU 20 -6.444 -1.443 -10.832 135 2HG GLU 20 2HG GLU 20 -5.064 -2.148 -11.651 136 HE2 GLU 20 HE2 GLU 20 -4.492 -0.137 -13.089 137 QB GLU 20 QB GLU 20 -6.768 -3.566 -12.536 138 QG GLU 20 QG GLU 20 -5.754 -1.796 -11.241 139 H LYS 21 H LYS 21 -9.277 -5.304 -12.257 140 HA LYS 21 HA LYS 21 -10.729 -4.264 -14.353 141 1HB LYS 21 1HB LYS 21 -11.359 -6.403 -14.690 142 2HB LYS 21 2HB LYS 21 -10.142 -6.742 -13.477 143 1HG LYS 21 1HG LYS 21 -11.871 -6.715 -11.694 144 2HG LYS 21 2HG LYS 21 -13.102 -6.292 -12.867 145 1HD LYS 21 1HD LYS 21 -11.517 -8.710 -13.580 146 2HD LYS 21 2HD LYS 21 -12.462 -8.878 -12.113 147 1HE LYS 21 1HE LYS 21 -14.380 -7.758 -13.639 148 2HE LYS 21 2HE LYS 21 -13.408 -8.415 -14.941 149 QB LYS 21 QB LYS 21 -10.750 -6.572 -14.083 150 QD LYS 21 QD LYS 21 -11.989 -8.794 -12.847 151 QG LYS 21 QG LYS 21 -12.487 -6.503 -12.280 152 QE LYS 21 QE LYS 21 -13.894 -8.087 -14.290 153 QZ LYS 21 QZ LYS 21 -14.793 -10.022 -13.534 154 H TYR 22 H TYR 22 -11.638 -4.730 -10.898 155 HA TYR 22 HA TYR 22 -14.325 -3.892 -11.309 156 1HB TYR 22 1HB TYR 22 -12.511 -3.893 -8.819 157 2HB TYR 22 2HB TYR 22 -14.262 -3.943 -8.796 158 HD1 TYR 22 HD1 TYR 22 -14.576 -5.993 -11.082 159 HD2 TYR 22 HD2 TYR 22 -12.093 -5.903 -7.600 160 HE1 TYR 22 HE1 TYR 22 -14.499 -8.534 -11.064 161 HE2 TYR 22 HE2 TYR 22 -12.023 -8.445 -7.593 162 HH TYR 22 HH TYR 22 -13.970 -10.302 -8.767 163 QB TYR 22 QB TYR 22 -13.386 -3.918 -8.808 164 QD TYR 22 QD TYR 22 -13.335 -5.948 -9.341 165 QE TYR 22 QE TYR 22 -13.261 -8.489 -9.328 166 QR TYR 22 QR TYR 22 -13.298 -7.219 -9.335 167 H TYR 23 H TYR 23 -11.274 -2.310 -10.209 168 HA TYR 23 HA TYR 23 -12.331 0.073 -9.330 169 1HB TYR 23 1HB TYR 23 -9.981 -0.379 -9.038 170 2HB TYR 23 2HB TYR 23 -9.795 -0.932 -10.691 171 HD1 TYR 23 HD1 TYR 23 -9.783 0.784 -12.568 172 HD2 TYR 23 HD2 TYR 23 -9.540 1.880 -8.440 173 HE1 TYR 23 HE1 TYR 23 -8.866 3.064 -13.220 174 HE2 TYR 23 HE2 TYR 23 -8.624 4.156 -9.106 175 HH TYR 23 HH TYR 23 -7.305 5.033 -11.160 176 QB TYR 23 QB TYR 23 -9.888 -0.655 -9.865 177 QD TYR 23 QD TYR 23 -9.661 1.332 -10.504 178 QE TYR 23 QE TYR 23 -8.745 3.610 -11.163 179 QR TYR 23 QR TYR 23 -9.203 2.471 -10.834 180 H ARG 24 H ARG 24 -11.605 -1.029 -12.678 181 HA ARG 24 HA ARG 24 -12.004 1.501 -13.800 182 1HB ARG 24 1HB ARG 24 -10.831 -0.642 -14.778 183 2HB ARG 24 2HB ARG 24 -12.440 -1.129 -15.273 184 1HG ARG 24 1HG ARG 24 -11.537 1.670 -15.952 185 2HG ARG 24 2HG ARG 24 -10.861 0.343 -16.875 186 1HD ARG 24 1HD ARG 24 -13.766 0.031 -16.566 187 2HD ARG 24 2HD ARG 24 -13.375 1.581 -17.284 188 HE ARG 24 HE ARG 24 -11.932 -0.713 -18.447 189 1HH1 ARG 24 1HH1 ARG 24 -14.771 1.395 -18.672 190 2HH1 ARG 24 2HH1 ARG 24 -15.063 1.032 -20.341 191 2HH2 ARG 24 HH2 ARG 24 -13.607 -0.492 -21.482 192 QB ARG 24 QB ARG 24 -11.635 -0.885 -15.026 193 QG ARG 24 QG ARG 24 -11.199 1.006 -16.414 194 QD ARG 24 QD ARG 24 -13.570 0.806 -16.925 195 QH1 ARG 24 QH1 ARG 24 -14.917 1.214 -19.506 196 H GLN 25 H GLN 25 -14.107 -1.256 -12.960 197 HA GLN 25 HA GLN 25 -16.273 -0.575 -14.541 198 1HB GLN 25 1HB GLN 25 -15.988 -2.119 -11.943 199 2HB GLN 25 2HB GLN 25 -17.560 -1.883 -12.681 200 1HG GLN 25 1HG GLN 25 -16.547 -2.827 -14.857 201 2HG GLN 25 2HG GLN 25 -15.141 -3.274 -13.912 202 2HE2 GLN 25 1HE2 GLN 25 -18.680 -3.359 -13.470 203 1HE2 GLN 25 2HE2 GLN 25 -18.800 -5.015 -12.978 204 QB GLN 25 QB GLN 25 -16.774 -2.001 -12.312 205 QG GLN 25 QG GLN 25 -15.844 -3.050 -14.384 206 QE GLN 25 QE GLN 25 -18.740 -4.187 -13.224 207 H VAL 26 H VAL 26 -15.247 0.480 -11.260 208 HA VAL 26 HA VAL 26 -17.646 2.047 -10.925 209 HB VAL 26 HB VAL 26 -17.040 2.198 -8.761 210 1HG1 VAL 26 1HG1 VAL 26 -16.721 -0.243 -9.654 211 2HG1 VAL 26 2HG1 VAL 26 -15.005 0.043 -9.277 212 3HG1 VAL 26 3HG1 VAL 26 -16.231 0.164 -7.992 213 1HG2 VAL 26 1HG2 VAL 26 -14.193 2.490 -9.736 214 2HG2 VAL 26 2HG2 VAL 26 -15.214 3.682 -8.896 215 3HG2 VAL 26 3HG2 VAL 26 -14.585 2.269 -8.014 216 MG1 VAL 26 MG1 VAL 26 -15.986 -0.012 -8.975 217 MG2 VAL 26 MG2 VAL 26 -14.664 2.813 -8.882 218 QG VAL 26 QG VAL 26 -15.325 1.401 -8.928 219 H GLU 27 H GLU 27 -14.494 2.359 -12.366 220 HA GLU 27 HA GLU 27 -14.076 5.062 -11.928 221 1HB GLU 27 1HB GLU 27 -12.342 3.504 -12.770 222 2HB GLU 27 2HB GLU 27 -13.221 3.308 -14.273 223 1HG GLU 27 1HG GLU 27 -12.965 6.113 -13.956 224 2HG GLU 27 2HG GLU 27 -11.416 5.468 -13.452 225 HE2 GLU 27 HE2 GLU 27 -12.127 5.808 -17.207 226 QB GLU 27 QB GLU 27 -12.782 3.406 -13.522 227 QG GLU 27 QG GLU 27 -12.190 5.791 -13.704 228 H ALA 28 H ALA 28 -14.631 6.942 -13.115 229 HA ALA 28 HA ALA 28 -16.686 6.500 -15.173 230 1HB ALA 28 2HB ALA 28 -16.521 8.866 -13.276 231 2HB ALA 28 3HB ALA 28 -17.874 8.397 -14.334 232 3HB ALA 28 1HB ALA 28 -17.468 7.403 -12.915 233 MB ALA 28 MB ALA 28 -17.288 8.222 -13.508 234 H GLY 29 H GLY 29 -16.857 8.438 -16.712 235 1HA GLY 29 1HA GLY 29 -15.923 9.914 -18.136 236 2HA GLY 29 2HA GLY 29 -14.659 10.218 -16.960 237 QA GLY 29 QA GLY 29 -15.291 10.066 -17.548 238 H ASN 30 H ASN 30 -13.376 10.328 -19.097 239 HA ASN 30 HA ASN 30 -12.512 7.617 -19.738 240 1HB ASN 30 1HB ASN 30 -13.445 9.747 -21.480 241 2HB ASN 30 2HB ASN 30 -11.753 9.457 -21.831 242 2HD2 ASN 30 1HD2 ASN 30 -11.253 7.878 -23.150 243 1HD2 ASN 30 2HD2 ASN 30 -12.256 6.544 -23.612 244 QB ASN 30 QB ASN 30 -12.599 9.602 -21.656 245 QD ASN 30 QD ASN 30 -11.754 7.211 -23.381 246 H THR 31 H THR 31 -11.603 9.586 -17.626 247 HA THR 31 HA THR 31 -8.984 10.387 -18.672 248 HB THR 31 HB THR 31 -10.685 11.948 -17.406 249 HG1 THR 31 HG1 THR 31 -8.504 12.590 -17.739 250 1HG2 THR 31 1HG2 THR 31 -9.368 10.417 -15.100 251 2HG2 THR 31 2HG2 THR 31 -10.279 11.937 -14.933 252 3HG2 THR 31 3HG2 THR 31 -11.113 10.452 -15.451 253 MG THR 31 MG THR 31 -10.253 10.935 -15.161 254 H GLY 32 H GLY 32 -10.601 8.063 -16.587 255 1HA GLY 32 1HA GLY 32 -9.530 6.053 -16.019 256 2HA GLY 32 2HA GLY 32 -7.975 6.859 -16.047 257 QA GLY 32 QA GLY 32 -8.753 6.456 -16.033 258 H ARG 33 H ARG 33 -10.434 8.790 -14.561 259 HA ARG 33 HA ARG 33 -9.258 8.150 -11.997 260 1HB ARG 33 1HB ARG 33 -10.654 10.562 -13.169 261 2HB ARG 33 2HB ARG 33 -10.718 10.346 -11.431 262 1HG ARG 33 1HG ARG 33 -8.247 10.256 -11.313 263 2HG ARG 33 2HG ARG 33 -8.132 10.345 -13.059 264 1HD ARG 33 1HD ARG 33 -8.061 12.608 -12.858 265 2HD ARG 33 2HD ARG 33 -9.745 12.559 -12.377 266 HE ARG 33 HE ARG 33 -8.324 11.942 -10.044 267 1HH1 ARG 33 1HH1 ARG 33 -8.400 14.664 -12.312 268 2HH1 ARG 33 2HH1 ARG 33 -7.947 15.833 -11.117 269 2HH2 ARG 33 HH2 ARG 33 -7.555 15.117 -8.863 270 QB ARG 33 QB ARG 33 -10.686 10.454 -12.300 271 QG ARG 33 QG ARG 33 -8.190 10.301 -12.186 272 QD ARG 33 QD ARG 33 -8.903 12.584 -12.618 273 QH1 ARG 33 QH1 ARG 33 -8.173 15.248 -11.714 274 H VAL 34 H VAL 34 -10.623 7.744 -10.113 275 HA VAL 34 HA VAL 34 -13.139 6.513 -10.853 276 HB VAL 34 HB VAL 34 -11.897 6.618 -8.114 277 1HG1 VAL 34 1HG1 VAL 34 -14.226 5.444 -9.157 278 2HG1 VAL 34 2HG1 VAL 34 -13.074 4.103 -8.950 279 3HG1 VAL 34 3HG1 VAL 34 -13.483 5.145 -7.567 280 1HG2 VAL 34 1HG2 VAL 34 -10.824 5.335 -10.532 281 2HG2 VAL 34 2HG2 VAL 34 -10.047 5.667 -8.966 282 3HG2 VAL 34 3HG2 VAL 34 -11.057 4.215 -9.169 283 MG1 VAL 34 MG1 VAL 34 -13.594 4.898 -8.558 284 MG2 VAL 34 MG2 VAL 34 -10.643 5.072 -9.555 285 QG VAL 34 QG VAL 34 -12.119 4.985 -9.057 286 H LEU 35 H LEU 35 -14.999 7.653 -10.826 287 HA LEU 35 HA LEU 35 -15.140 10.249 -9.808 288 1HB LEU 35 1HB LEU 35 -16.797 8.395 -11.242 289 2HB LEU 35 2HB LEU 35 -17.741 9.156 -9.977 290 HG LEU 35 HG LEU 35 -16.152 10.624 -12.100 291 1HD1 LEU 35 1HD1 LEU 35 -18.655 9.334 -12.293 292 2HD1 LEU 35 2HD1 LEU 35 -18.987 11.080 -12.207 293 3HD1 LEU 35 3HD1 LEU 35 -17.894 10.443 -13.459 294 1HD2 LEU 35 1HD2 LEU 35 -18.018 11.673 -9.955 295 2HD2 LEU 35 2HD2 LEU 35 -16.258 11.918 -10.054 296 3HD2 LEU 35 3HD2 LEU 35 -17.327 12.634 -11.284 297 MD1 LEU 35 MD1 LEU 35 -18.512 10.286 -12.653 298 MD2 LEU 35 MD2 LEU 35 -17.201 12.075 -10.431 299 QB LEU 35 QB LEU 35 -17.269 8.775 -10.609 300 QD LEU 35 QD LEU 35 -17.857 11.180 -11.542 301 H ALA 36 H ALA 36 -15.048 7.241 -8.196 302 HA ALA 36 HA ALA 36 -15.154 6.778 -6.023 303 1HB ALA 36 1HB ALA 36 -14.786 9.509 -5.994 304 2HB ALA 36 3HB ALA 36 -14.842 8.473 -4.547 305 3HB ALA 36 2HB ALA 36 -16.305 9.334 -5.082 306 MB ALA 36 MB ALA 36 -15.311 9.105 -5.208 307 H LEU 37 H LEU 37 -17.887 9.005 -6.922 308 HA LEU 37 HA LEU 37 -19.830 7.953 -5.362 309 1HB LEU 37 1HB LEU 37 -19.788 9.234 -8.054 310 2HB LEU 37 2HB LEU 37 -21.290 8.518 -7.504 311 HG LEU 37 HG LEU 37 -20.795 11.043 -7.079 312 1HD1 LEU 37 1HD1 LEU 37 -22.752 9.696 -6.273 313 2HD1 LEU 37 2HD1 LEU 37 -21.843 9.384 -4.775 314 3HD1 LEU 37 3HD1 LEU 37 -22.285 11.051 -5.217 315 1HD2 LEU 37 1HD2 LEU 37 -18.596 10.723 -6.044 316 2HD2 LEU 37 2HD2 LEU 37 -19.732 11.533 -4.939 317 3HD2 LEU 37 3HD2 LEU 37 -19.351 9.809 -4.716 318 MD1 LEU 37 MD1 LEU 37 -22.293 10.044 -5.421 319 MD2 LEU 37 MD2 LEU 37 -19.227 10.689 -5.233 320 QB LEU 37 QB LEU 37 -20.539 8.876 -7.779 321 QD LEU 37 QD LEU 37 -20.760 10.366 -5.327 322 H ASP 38 H ASP 38 -18.827 6.764 -8.638 323 HA ASP 38 HA ASP 38 -20.656 4.717 -8.744 324 1HB ASP 38 1HB ASP 38 -18.171 5.507 -10.116 325 2HB ASP 38 2HB ASP 38 -18.343 3.764 -10.051 326 HD2 ASP 38 HD2 ASP 38 -19.042 5.052 -12.889 327 QB ASP 38 QB ASP 38 -18.257 4.635 -10.083 328 H ALA 39 H ALA 39 -17.422 5.029 -7.223 329 HA ALA 39 HA ALA 39 -16.862 2.352 -6.775 330 1HB ALA 39 3HB ALA 39 -15.038 3.286 -5.849 331 2HB ALA 39 2HB ALA 39 -16.016 4.069 -4.585 332 3HB ALA 39 1HB ALA 39 -15.775 4.878 -6.152 333 MB ALA 39 MB ALA 39 -15.610 4.077 -5.528 334 H ALA 40 H ALA 40 -18.635 4.757 -4.715 335 HA ALA 40 HA ALA 40 -19.157 3.026 -2.610 336 1HB ALA 40 1HB ALA 40 -19.693 5.682 -3.324 337 2HB ALA 40 2HB ALA 40 -21.301 4.942 -3.134 338 3HB ALA 40 3HB ALA 40 -20.131 4.886 -1.793 339 MB ALA 40 MB ALA 40 -20.375 5.170 -2.750 340 H ALA 41 H ALA 41 -20.462 3.195 -5.864 341 HA ALA 41 HA ALA 41 -22.904 1.850 -5.239 342 1HB ALA 41 3HB ALA 41 -23.356 2.747 -7.248 343 2HB ALA 41 1HB ALA 41 -21.641 3.158 -7.490 344 3HB ALA 41 2HB ALA 41 -22.252 1.561 -7.986 345 MB ALA 41 MB ALA 41 -22.417 2.489 -7.575 346 H PHE 42 H PHE 42 -19.786 0.924 -6.864 347 HA PHE 42 HA PHE 42 -20.441 -1.752 -7.189 348 1HB PHE 42 1HB PHE 42 -18.544 -0.648 -8.315 349 2HB PHE 42 2HB PHE 42 -17.846 -0.165 -6.782 350 HD1 PHE 42 HD1 PHE 42 -17.029 -2.046 -5.219 351 HD2 PHE 42 HD2 PHE 42 -17.863 -2.633 -9.338 352 HE1 PHE 42 HE1 PHE 42 -15.610 -4.116 -5.212 353 HE2 PHE 42 HE2 PHE 42 -16.444 -4.703 -9.331 354 HZ PHE 42 HZ PHE 42 -15.334 -5.420 -7.268 355 QB PHE 42 QB PHE 42 -18.195 -0.407 -7.548 356 QD PHE 42 QD PHE 42 -17.446 -2.339 -7.279 357 QE PHE 42 QE PHE 42 -16.027 -4.409 -7.271 358 QR PHE 42 QR PHE 42 -16.736 -3.374 -7.275 359 H LEU 43 H LEU 43 -19.045 0.042 -4.413 360 HA LEU 43 HA LEU 43 -18.124 -2.115 -2.952 361 1HB LEU 43 1HB LEU 43 -19.224 0.572 -2.143 362 2HB LEU 43 2HB LEU 43 -18.578 -0.571 -0.982 363 HG LEU 43 HG LEU 43 -16.976 0.439 -3.340 364 1HD1 LEU 43 1HD1 LEU 43 -17.498 1.705 -0.683 365 2HD1 LEU 43 2HD1 LEU 43 -15.868 1.829 -1.387 366 3HD1 LEU 43 3HD1 LEU 43 -17.275 2.447 -2.285 367 1HD2 LEU 43 1HD2 LEU 43 -16.473 -1.702 -1.785 368 2HD2 LEU 43 2HD2 LEU 43 -15.204 -0.685 -2.508 369 3HD2 LEU 43 3HD2 LEU 43 -15.691 -0.431 -0.815 370 MD1 LEU 43 MD1 LEU 43 -16.880 1.994 -1.452 371 MD2 LEU 43 MD2 LEU 43 -15.789 -0.939 -1.702 372 QB LEU 43 QB LEU 43 -18.901 0.000 -1.563 373 QD LEU 43 QD LEU 43 -16.335 0.527 -1.577 374 H LYS 44 H LYS 44 -21.413 -0.616 -3.087 375 HA LYS 44 HA LYS 44 -22.606 -2.102 -1.118 376 1HB LYS 44 1HB LYS 44 -23.572 -0.775 -3.630 377 2HB LYS 44 2HB LYS 44 -24.680 -1.787 -2.724 378 1HG LYS 44 1HG LYS 44 -23.684 -0.370 -0.647 379 2HG LYS 44 2HG LYS 44 -23.373 0.802 -1.913 380 1HD LYS 44 1HD LYS 44 -26.051 -0.287 -2.252 381 2HD LYS 44 2HD LYS 44 -25.857 0.264 -0.600 382 1HE LYS 44 1HE LYS 44 -24.658 2.316 -2.089 383 2HE LYS 44 2HE LYS 44 -26.011 1.841 -3.095 384 QB LYS 44 QB LYS 44 -24.126 -1.281 -3.177 385 QD LYS 44 QD LYS 44 -25.954 -0.012 -1.426 386 QG LYS 44 QG LYS 44 -23.528 0.216 -1.280 387 QE LYS 44 QE LYS 44 -25.334 2.078 -2.592 388 QZ LYS 44 QZ LYS 44 -27.147 2.477 -1.104 389 H LYS 45 H LYS 45 -21.294 -3.142 -4.174 390 HA LYS 45 HA LYS 45 -22.931 -5.498 -4.328 391 1HB LYS 45 1HB LYS 45 -20.390 -4.911 -5.861 392 2HB LYS 45 2HB LYS 45 -21.689 -6.001 -6.301 393 1HG LYS 45 1HG LYS 45 -23.221 -3.866 -6.217 394 2HG LYS 45 2HG LYS 45 -21.720 -2.963 -6.267 395 1HD LYS 45 1HD LYS 45 -21.077 -4.054 -8.384 396 2HD LYS 45 2HD LYS 45 -22.482 -5.100 -8.312 397 1HE LYS 45 1HE LYS 45 -23.121 -2.199 -8.112 398 2HE LYS 45 2HE LYS 45 -22.386 -2.663 -9.634 399 QB LYS 45 QB LYS 45 -21.040 -5.456 -6.081 400 QD LYS 45 QD LYS 45 -21.779 -4.577 -8.348 401 QG LYS 45 QG LYS 45 -22.470 -3.414 -6.242 402 QE LYS 45 QE LYS 45 -22.754 -2.431 -8.873 403 QZ LYS 45 QZ LYS 45 -24.623 -3.957 -8.923 404 H SER 46 H SER 46 -21.028 -4.693 -1.942 405 HA SER 46 HA SER 46 -19.264 -6.962 -1.997 406 1HB SER 46 2HB SER 46 -18.564 -4.705 -1.101 407 2HB SER 46 1HB SER 46 -18.291 -6.035 0.008 408 HG SER 46 HG SER 46 -20.080 -3.859 0.201 409 QB SER 46 QB SER 46 -18.428 -5.370 -0.546 410 H GLY 47 H GLY 47 -21.516 -5.627 0.537 411 1HA GLY 47 1HA GLY 47 -23.393 -7.479 0.810 412 2HA GLY 47 2HA GLY 47 -22.022 -8.337 1.487 413 QA GLY 47 QA GLY 47 -22.708 -7.908 1.148 414 H LEU 48 H LEU 48 -20.775 -5.683 2.406 415 HA LEU 48 HA LEU 48 -21.919 -5.709 4.988 416 1HB LEU 48 1HB LEU 48 -19.775 -4.170 3.585 417 2HB LEU 48 2HB LEU 48 -20.374 -3.583 5.123 418 HG LEU 48 HG LEU 48 -19.459 -6.438 4.843 419 1HD1 LEU 48 1HD1 LEU 48 -17.740 -4.674 3.983 420 2HD1 LEU 48 2HD1 LEU 48 -17.538 -4.301 5.712 421 3HD1 LEU 48 3HD1 LEU 48 -17.221 -5.947 5.113 422 1HD2 LEU 48 1HD2 LEU 48 -20.706 -5.333 6.883 423 2HD2 LEU 48 2HD2 LEU 48 -19.363 -6.474 7.133 424 3HD2 LEU 48 3HD2 LEU 48 -19.079 -4.721 7.265 425 MD1 LEU 48 MD1 LEU 48 -17.500 -4.974 4.936 426 MD2 LEU 48 MD2 LEU 48 -19.716 -5.509 7.094 427 QB LEU 48 QB LEU 48 -20.074 -3.877 4.354 428 QD LEU 48 QD LEU 48 -18.608 -5.242 6.015 429 HA PRO 49 HA PRO 49 -24.877 -2.586 4.661 430 1HB PRO 49 1HB PRO 49 -24.761 -1.321 7.081 431 2HB PRO 49 2HB PRO 49 -25.565 -2.859 6.841 432 1HG PRO 49 1HG PRO 49 -22.962 -2.310 8.129 433 2HG PRO 49 2HG PRO 49 -23.967 -3.740 8.252 434 1HD PRO 49 1HD PRO 49 -21.574 -3.453 6.697 435 2HD PRO 49 2HD PRO 49 -22.642 -4.842 6.730 436 QB PRO 49 QB PRO 49 -25.163 -2.090 6.961 437 QG PRO 49 QG PRO 49 -23.465 -3.025 8.191 438 QD PRO 49 QD PRO 49 -22.108 -4.148 6.713 439 H ASP 50 H ASP 50 -25.289 -0.051 5.396 440 HA ASP 50 HA ASP 50 -23.311 1.206 3.741 441 1HB ASP 50 1HB ASP 50 -26.059 1.562 4.184 442 2HB ASP 50 2HB ASP 50 -25.349 2.935 5.009 443 HD2 ASP 50 HD2 ASP 50 -26.912 3.263 2.893 444 QB ASP 50 QB ASP 50 -25.704 2.249 4.597 445 H LEU 51 H LEU 51 -24.560 1.174 7.117 446 HA LEU 51 HA LEU 51 -23.235 3.430 8.061 447 1HB LEU 51 2HB LEU 51 -25.039 1.710 9.051 448 2HB LEU 51 1HB LEU 51 -24.149 2.875 10.011 449 HG LEU 51 HG LEU 51 -22.418 0.818 10.154 450 1HD1 LEU 51 1HD1 LEU 51 -24.665 1.762 11.835 451 2HD1 LEU 51 2HD1 LEU 51 -23.992 0.168 12.251 452 3HD1 LEU 51 3HD1 LEU 51 -22.932 1.597 12.206 453 1HD2 LEU 51 1HD2 LEU 51 -23.928 -0.595 8.728 454 2HD2 LEU 51 2HD2 LEU 51 -23.495 -1.303 10.302 455 3HD2 LEU 51 3HD2 LEU 51 -25.102 -0.577 10.065 456 MD1 LEU 51 MD1 LEU 51 -23.863 1.176 12.097 457 MD2 LEU 51 MD2 LEU 51 -24.175 -0.825 9.699 458 QB LEU 51 QB LEU 51 -24.594 2.292 9.531 459 QD LEU 51 QD LEU 51 -24.019 0.176 10.898 460 H ILE 52 H ILE 52 -22.238 -0.058 8.048 461 HA ILE 52 HA ILE 52 -19.734 0.441 9.208 462 HB ILE 52 HB ILE 52 -20.864 -1.825 7.579 463 1HG1 ILE 52 1HG1 ILE 52 -21.526 -1.137 10.063 464 2HG1 ILE 52 2HG1 ILE 52 -21.419 -2.809 9.548 465 1HG2 ILE 52 1HG2 ILE 52 -18.070 -1.348 8.474 466 2HG2 ILE 52 2HG2 ILE 52 -18.740 -2.977 8.736 467 3HG2 ILE 52 3HG2 ILE 52 -18.698 -2.284 7.097 468 1HD1 ILE 52 1HD1 ILE 52 -18.886 -1.530 10.538 469 2HD1 ILE 52 2HD1 ILE 52 -20.141 -1.911 11.741 470 3HD1 ILE 52 3HD1 ILE 52 -19.460 -3.205 10.725 471 MG ILE 52 MG ILE 52 -18.503 -2.203 8.102 472 MD ILE 52 MD ILE 52 -19.496 -2.215 11.002 473 QG ILE 52 QG ILE 52 -21.472 -1.973 9.805 474 H LEU 53 H LEU 53 -20.968 0.534 5.857 475 HA LEU 53 HA LEU 53 -18.463 0.579 4.600 476 1HB LEU 53 1HB LEU 53 -21.274 1.034 3.907 477 2HB LEU 53 2HB LEU 53 -20.156 1.997 2.960 478 HG LEU 53 HG LEU 53 -19.900 -1.003 3.271 479 1HD1 LEU 53 1HD1 LEU 53 -21.520 0.624 1.335 480 2HD1 LEU 53 2HD1 LEU 53 -20.805 -0.926 0.831 481 3HD1 LEU 53 3HD1 LEU 53 -21.943 -0.874 2.198 482 1HD2 LEU 53 1HD2 LEU 53 -18.516 1.081 1.609 483 2HD2 LEU 53 2HD2 LEU 53 -17.830 -0.254 2.567 484 3HD2 LEU 53 3HD2 LEU 53 -18.648 -0.595 1.023 485 MD1 LEU 53 MD1 LEU 53 -21.423 -0.392 1.455 486 MD2 LEU 53 MD2 LEU 53 -18.331 0.077 1.733 487 QB LEU 53 QB LEU 53 -20.715 1.516 3.433 488 QD LEU 53 QD LEU 53 -19.877 -0.157 1.594 489 H GLY 54 H GLY 54 -20.712 3.260 5.575 490 1HA GLY 54 1HA GLY 54 -19.399 5.451 4.759 491 2HA GLY 54 2HA GLY 54 -20.198 5.341 6.315 492 QA GLY 54 QA GLY 54 -19.799 5.396 5.537 493 H LYS 55 H LYS 55 -18.515 3.409 7.617 494 HA LYS 55 HA LYS 55 -16.504 5.088 8.567 495 1HB LYS 55 1HB LYS 55 -16.833 2.084 8.827 496 2HB LYS 55 2HB LYS 55 -15.734 3.063 9.778 497 1HG LYS 55 1HG LYS 55 -18.383 4.266 9.839 498 2HG LYS 55 2HG LYS 55 -18.510 2.572 10.268 499 1HD LYS 55 1HD LYS 55 -16.196 3.559 11.626 500 2HD LYS 55 2HD LYS 55 -17.438 4.777 11.839 501 1HE LYS 55 1HE LYS 55 -19.019 2.793 12.471 502 2HE LYS 55 2HE LYS 55 -17.558 1.835 12.613 503 QB LYS 55 QB LYS 55 -16.283 2.573 9.303 504 QD LYS 55 QD LYS 55 -16.817 4.168 11.733 505 QG LYS 55 QG LYS 55 -18.447 3.419 10.053 506 QE LYS 55 QE LYS 55 -18.288 2.314 12.542 507 QZ LYS 55 QZ LYS 55 -17.260 3.297 14.402 508 H ILE 56 H ILE 56 -16.440 2.344 6.215 509 HA ILE 56 HA ILE 56 -13.714 2.236 5.848 510 HB ILE 56 HB ILE 56 -16.061 1.642 4.067 511 1HG1 ILE 56 1HG1 ILE 56 -14.110 -0.053 5.647 512 2HG1 ILE 56 2HG1 ILE 56 -15.820 0.169 5.958 513 1HG2 ILE 56 1HG2 ILE 56 -13.335 2.039 3.227 514 2HG2 ILE 56 2HG2 ILE 56 -13.795 0.330 3.031 515 3HG2 ILE 56 3HG2 ILE 56 -14.770 1.608 2.265 516 1HD1 ILE 56 1HD1 ILE 56 -15.532 -0.685 3.218 517 2HD1 ILE 56 2HD1 ILE 56 -14.572 -1.771 4.252 518 3HD1 ILE 56 3HD1 ILE 56 -16.309 -1.546 4.568 519 MG ILE 56 MG ILE 56 -13.967 1.325 2.841 520 MD ILE 56 MD ILE 56 -15.471 -1.334 4.013 521 QG ILE 56 QG ILE 56 -14.965 0.058 5.802 522 H TRP 57 H TRP 57 -16.148 4.132 3.923 523 HA TRP 57 HA TRP 57 -14.320 5.426 2.311 524 1HB TRP 57 1HB TRP 57 -16.864 5.329 2.166 525 2HB TRP 57 2HB TRP 57 -16.885 6.652 3.315 526 HD1 TRP 57 HD1 TRP 57 -15.599 9.006 2.406 527 HE1 TRP 57 HE1 TRP 57 -15.443 10.095 0.008 528 HE3 TRP 57 HE3 TRP 57 -16.764 4.777 -0.167 529 HZ2 TRP 57 HZ2 TRP 57 -15.816 9.089 -2.637 530 HZ3 TRP 57 HZ3 TRP 57 -16.847 4.917 -2.654 531 HH2 TRP 57 HH2 TRP 57 -16.396 6.978 -3.888 532 QB TRP 57 QB TRP 57 -16.875 5.990 2.741 533 H ASP 58 H ASP 58 -15.836 6.529 5.433 534 HA ASP 58 HA ASP 58 -14.601 8.888 5.694 535 1HB ASP 58 1HB ASP 58 -16.156 7.322 7.302 536 2HB ASP 58 2HB ASP 58 -14.630 7.156 8.146 537 HD2 ASP 58 HD2 ASP 58 -14.228 10.055 9.296 538 QB ASP 58 QB ASP 58 -15.393 7.239 7.724 539 H LEU 59 H LEU 59 -13.269 5.603 6.054 540 HA LEU 59 HA LEU 59 -10.814 6.588 7.237 541 1HB LEU 59 1HB LEU 59 -11.650 4.570 8.143 542 2HB LEU 59 2HB LEU 59 -11.888 3.858 6.559 543 HG LEU 59 HG LEU 59 -9.905 3.060 7.990 544 1HD1 LEU 59 1HD1 LEU 59 -10.307 3.273 5.202 545 2HD1 LEU 59 2HD1 LEU 59 -8.590 3.630 5.501 546 3HD1 LEU 59 3HD1 LEU 59 -9.296 2.105 6.085 547 1HD2 LEU 59 1HD2 LEU 59 -9.274 5.708 8.133 548 2HD2 LEU 59 2HD2 LEU 59 -8.133 4.371 8.409 549 3HD2 LEU 59 3HD2 LEU 59 -8.207 5.163 6.817 550 MD1 LEU 59 MD1 LEU 59 -9.398 3.003 5.596 551 MD2 LEU 59 MD2 LEU 59 -8.538 5.081 7.786 552 QB LEU 59 QB LEU 59 -11.769 4.214 7.351 553 QD LEU 59 QD LEU 59 -8.968 4.042 6.691 554 H ALA 60 H ALA 60 -12.191 5.687 4.106 555 HA ALA 60 HA ALA 60 -9.652 5.387 2.829 556 1HB ALA 60 1HB ALA 60 -12.336 4.767 2.281 557 2HB ALA 60 2HB ALA 60 -11.905 6.008 1.080 558 3HB ALA 60 3HB ALA 60 -10.942 4.516 1.202 559 MB ALA 60 MB ALA 60 -11.728 5.097 1.521 560 H ASP 61 H ASP 61 -12.321 7.843 2.502 561 HA ASP 61 HA ASP 61 -11.191 9.621 0.952 562 1HB ASP 61 1HB ASP 61 -13.341 10.103 1.892 563 2HB ASP 61 2HB ASP 61 -12.734 10.030 3.535 564 HD2 ASP 61 HD2 ASP 61 -10.741 12.417 3.394 565 QB ASP 61 QB ASP 61 -13.038 10.066 2.714 566 H THR 62 H THR 62 -9.308 10.881 0.950 567 HA THR 62 HA THR 62 -8.215 11.938 3.359 568 HB THR 62 HB THR 62 -6.980 9.482 2.043 569 HG1 THR 62 HG1 THR 62 -6.878 9.047 4.427 570 1HG2 THR 62 1HG2 THR 62 -5.586 11.837 3.131 571 2HG2 THR 62 2HG2 THR 62 -5.279 10.384 4.113 572 3HG2 THR 62 3HG2 THR 62 -4.898 10.380 2.374 573 MG THR 62 MG THR 62 -5.254 10.867 3.206 574 H ASP 63 H ASP 63 -7.744 11.075 -0.103 575 HA ASP 63 HA ASP 63 -5.783 12.798 -0.730 576 1HB ASP 63 1HB ASP 63 -7.004 11.182 -2.264 577 2HB ASP 63 2HB ASP 63 -8.315 12.340 -2.376 578 HD2 ASP 63 HD2 ASP 63 -6.046 12.639 -5.220 579 QB ASP 63 QB ASP 63 -7.659 11.761 -2.320 580 H GLY 64 H GLY 64 -9.373 13.434 -0.726 581 1HA GLY 64 1HA GLY 64 -10.210 15.454 0.247 582 2HA GLY 64 2HA GLY 64 -8.788 16.302 -0.329 583 QA GLY 64 QA GLY 64 -9.499 15.878 -0.041 584 H LYS 65 H LYS 65 -11.469 14.224 -1.655 585 HA LYS 65 HA LYS 65 -12.522 16.166 -3.297 586 1HB LYS 65 1HB LYS 65 -10.036 15.171 -4.327 587 2HB LYS 65 2HB LYS 65 -11.329 14.617 -5.371 588 1HG LYS 65 1HG LYS 65 -12.162 16.898 -5.672 589 2HG LYS 65 2HG LYS 65 -11.070 17.515 -4.447 590 1HD LYS 65 1HD LYS 65 -9.252 17.512 -5.863 591 2HD LYS 65 2HD LYS 65 -9.728 16.018 -6.647 592 1HE LYS 65 1HE LYS 65 -11.381 17.176 -8.025 593 2HE LYS 65 2HE LYS 65 -11.181 18.662 -7.116 594 QB LYS 65 QB LYS 65 -10.683 14.894 -4.849 595 QD LYS 65 QD LYS 65 -9.490 16.765 -6.255 596 QG LYS 65 QG LYS 65 -11.616 17.207 -5.060 597 QE LYS 65 QE LYS 65 -11.281 17.919 -7.570 598 QZ LYS 65 QZ LYS 65 -8.979 18.294 -8.260 599 H GLY 66 H GLY 66 -13.871 15.011 -5.174 600 1HA GLY 66 1HA GLY 66 -15.187 12.768 -3.848 601 2HA GLY 66 2HA GLY 66 -15.794 13.728 -5.183 602 QA GLY 66 QA GLY 66 -15.491 13.248 -4.515 603 H VAL 67 H VAL 67 -12.467 12.434 -5.154 604 HA VAL 67 HA VAL 67 -13.305 10.348 -7.031 605 HB VAL 67 HB VAL 67 -11.036 12.308 -7.429 606 1HG1 VAL 67 1HG1 VAL 67 -11.033 9.723 -8.248 607 2HG1 VAL 67 2HG1 VAL 67 -11.870 10.490 -9.619 608 3HG1 VAL 67 3HG1 VAL 67 -10.249 11.049 -9.141 609 1HG2 VAL 67 1HG2 VAL 67 -13.838 12.355 -8.225 610 2HG2 VAL 67 2HG2 VAL 67 -12.594 13.623 -8.348 611 3HG2 VAL 67 3HG2 VAL 67 -12.750 12.400 -9.633 612 MG1 VAL 67 MG1 VAL 67 -11.050 10.421 -9.003 613 MG2 VAL 67 MG2 VAL 67 -13.061 12.792 -8.735 614 QG VAL 67 QG VAL 67 -12.055 11.607 -8.869 615 H LEU 68 H LEU 68 -12.043 8.444 -6.954 616 HA LEU 68 HA LEU 68 -10.343 8.319 -4.579 617 1HB LEU 68 1HB LEU 68 -11.457 6.012 -6.163 618 2HB LEU 68 2HB LEU 68 -10.770 5.987 -4.552 619 HG LEU 68 HG LEU 68 -13.376 7.326 -5.328 620 1HD1 LEU 68 1HD1 LEU 68 -13.131 4.714 -5.287 621 2HD1 LEU 68 2HD1 LEU 68 -13.193 4.943 -3.523 622 3HD1 LEU 68 3HD1 LEU 68 -14.539 5.508 -4.541 623 1HD2 LEU 68 1HD2 LEU 68 -11.746 7.356 -2.848 624 2HD2 LEU 68 2HD2 LEU 68 -12.875 8.566 -3.505 625 3HD2 LEU 68 3HD2 LEU 68 -13.502 7.135 -2.651 626 MD1 LEU 68 MD1 LEU 68 -13.621 5.055 -4.450 627 MD2 LEU 68 MD2 LEU 68 -12.708 7.686 -3.001 628 QB LEU 68 QB LEU 68 -11.114 5.999 -5.357 629 QD LEU 68 QD LEU 68 -13.164 6.370 -3.726 630 H SER 69 H SER 69 -8.484 6.584 -4.862 631 HA SER 69 HA SER 69 -7.204 7.240 -7.400 632 1HB SER 69 2HB SER 69 -5.120 7.420 -6.306 633 2HB SER 69 1HB SER 69 -5.642 6.472 -4.929 634 HG SER 69 HG SER 69 -6.632 9.117 -5.580 635 QB SER 69 QB SER 69 -5.381 6.946 -5.618 636 H LYS 70 H LYS 70 -4.940 5.354 -6.641 637 HA LYS 70 HA LYS 70 -6.250 2.952 -7.585 638 1HB LYS 70 1HB LYS 70 -3.405 3.913 -7.402 639 2HB LYS 70 2HB LYS 70 -3.742 2.208 -7.621 640 1HG LYS 70 1HG LYS 70 -4.667 2.509 -9.745 641 2HG LYS 70 2HG LYS 70 -5.230 4.131 -9.394 642 1HD LYS 70 1HD LYS 70 -2.588 4.629 -9.218 643 2HD LYS 70 2HD LYS 70 -2.486 3.214 -10.248 644 1HE LYS 70 1HE LYS 70 -4.563 4.703 -11.414 645 2HE LYS 70 2HE LYS 70 -3.432 5.937 -10.895 646 QB LYS 70 QB LYS 70 -3.573 3.060 -7.511 647 QD LYS 70 QD LYS 70 -2.537 3.922 -9.733 648 QG LYS 70 QG LYS 70 -4.948 3.320 -9.569 649 QE LYS 70 QE LYS 70 -3.997 5.320 -11.155 650 QZ LYS 70 QZ LYS 70 -2.204 4.152 -12.337 651 H GLN 71 H GLN 71 -3.525 3.288 -5.235 652 HA GLN 71 HA GLN 71 -4.144 1.042 -3.848 653 1HB GLN 71 1HB GLN 71 -2.835 3.594 -2.806 654 2HB GLN 71 2HB GLN 71 -2.762 2.039 -2.001 655 1HG GLN 71 1HG GLN 71 -1.451 1.057 -3.736 656 2HG GLN 71 2HG GLN 71 -1.888 2.295 -4.897 657 2HE2 GLN 71 1HE2 GLN 71 -0.507 2.106 -1.614 658 1HE2 GLN 71 2HE2 GLN 71 0.804 3.210 -1.864 659 QB GLN 71 QB GLN 71 -2.799 2.816 -2.403 660 QG GLN 71 QG GLN 71 -1.669 1.676 -4.317 661 QE GLN 71 QE GLN 71 0.149 2.658 -1.739 662 H GLU 72 H GLU 72 -5.655 4.229 -3.715 663 HA GLU 72 HA GLU 72 -6.745 4.071 -1.182 664 1HB GLU 72 1HB GLU 72 -7.247 5.627 -3.674 665 2HB GLU 72 2HB GLU 72 -8.611 5.531 -2.578 666 1HG GLU 72 1HG GLU 72 -6.253 6.031 -0.993 667 2HG GLU 72 2HG GLU 72 -6.232 7.152 -2.340 668 HE2 GLU 72 HE2 GLU 72 -7.848 9.169 -1.579 669 QB GLU 72 QB GLU 72 -7.929 5.579 -3.126 670 QG GLU 72 QG GLU 72 -6.243 6.591 -1.666 671 H PHE 73 H PHE 73 -8.663 3.730 -4.251 672 HA PHE 73 HA PHE 73 -10.829 2.517 -3.129 673 1HB PHE 73 1HB PHE 73 -10.944 3.240 -5.416 674 2HB PHE 73 2HB PHE 73 -9.411 2.494 -5.822 675 HD1 PHE 73 HD1 PHE 73 -12.985 1.834 -5.216 676 HD2 PHE 73 HD2 PHE 73 -9.302 0.238 -6.593 677 HE1 PHE 73 HE1 PHE 73 -14.200 -0.141 -6.176 678 HE2 PHE 73 HE2 PHE 73 -10.518 -1.737 -7.553 679 HZ PHE 73 HZ PHE 73 -12.952 -1.903 -7.333 680 QB PHE 73 QB PHE 73 -10.177 2.867 -5.619 681 QD PHE 73 QD PHE 73 -11.144 1.036 -5.904 682 QE PHE 73 QE PHE 73 -12.359 -0.939 -6.865 683 QR PHE 73 QR PHE 73 -11.752 0.048 -6.385 684 H PHE 74 H PHE 74 -7.647 1.147 -3.820 685 HA PHE 74 HA PHE 74 -8.536 -1.560 -3.803 686 1HB PHE 74 1HB PHE 74 -6.082 0.084 -4.080 687 2HB PHE 74 2HB PHE 74 -5.769 -1.345 -3.115 688 HD1 PHE 74 HD1 PHE 74 -7.379 -0.366 -6.337 689 HD2 PHE 74 HD2 PHE 74 -5.196 -3.307 -4.194 690 HE1 PHE 74 HE1 PHE 74 -7.166 -1.734 -8.431 691 HE2 PHE 74 HE2 PHE 74 -4.983 -4.675 -6.288 692 HZ PHE 74 HZ PHE 74 -5.971 -3.872 -8.381 693 QB PHE 74 QB PHE 74 -5.926 -0.631 -3.597 694 QD PHE 74 QD PHE 74 -6.288 -1.837 -5.266 695 QE PHE 74 QE PHE 74 -6.075 -3.204 -7.360 696 QR PHE 74 QR PHE 74 -6.181 -2.521 -6.313 697 H VAL 75 H VAL 75 -7.533 0.838 -1.390 698 HA VAL 75 HA VAL 75 -6.957 -1.090 0.631 699 HB VAL 75 HB VAL 75 -7.080 1.852 0.338 700 1HG1 VAL 75 1HG1 VAL 75 -7.470 0.488 3.022 701 2HG1 VAL 75 2HG1 VAL 75 -6.972 2.185 2.815 702 3HG1 VAL 75 3HG1 VAL 75 -8.564 1.647 2.229 703 1HG2 VAL 75 1HG2 VAL 75 -4.990 0.508 0.163 704 2HG2 VAL 75 2HG2 VAL 75 -4.927 1.745 1.442 705 3HG2 VAL 75 3HG2 VAL 75 -5.187 0.037 1.868 706 MG1 VAL 75 MG1 VAL 75 -7.669 1.440 2.689 707 MG2 VAL 75 MG2 VAL 75 -5.035 0.763 1.158 708 QG VAL 75 QG VAL 75 -6.352 1.102 1.923 709 H ALA 76 H ALA 76 -9.686 1.233 0.018 710 HA ALA 76 HA ALA 76 -11.279 0.482 2.118 711 1HB ALA 76 3HB ALA 76 -12.571 2.046 1.154 712 2HB ALA 76 1HB ALA 76 -11.450 2.070 -0.228 713 3HB ALA 76 2HB ALA 76 -12.865 0.991 -0.249 714 MB ALA 76 MB ALA 76 -12.295 1.703 0.225 715 H LEU 77 H LEU 77 -11.219 -0.879 -1.251 716 HA LEU 77 HA LEU 77 -13.191 -2.727 -0.998 717 1HB LEU 77 1HB LEU 77 -10.893 -2.268 -2.691 718 2HB LEU 77 2HB LEU 77 -11.155 -3.985 -2.459 719 HG LEU 77 HG LEU 77 -13.148 -1.979 -3.545 720 1HD1 LEU 77 1HD1 LEU 77 -11.360 -2.622 -5.106 721 2HD1 LEU 77 2HD1 LEU 77 -11.785 -4.335 -4.878 722 3HD1 LEU 77 3HD1 LEU 77 -12.954 -3.220 -5.625 723 1HD2 LEU 77 1HD2 LEU 77 -13.740 -4.297 -2.104 724 2HD2 LEU 77 2HD2 LEU 77 -14.835 -3.375 -3.163 725 3HD2 LEU 77 3HD2 LEU 77 -13.925 -4.760 -3.813 726 MD1 LEU 77 MD1 LEU 77 -12.033 -3.393 -5.203 727 MD2 LEU 77 MD2 LEU 77 -14.167 -4.144 -3.027 728 QB LEU 77 QB LEU 77 -11.024 -3.126 -2.575 729 QD LEU 77 QD LEU 77 -13.100 -3.768 -4.115 730 H ARG 78 H ARG 78 -9.671 -3.504 -0.501 731 HA ARG 78 HA ARG 78 -10.092 -5.950 0.576 732 1HB ARG 78 1HB ARG 78 -7.907 -3.873 0.931 733 2HB ARG 78 2HB ARG 78 -7.829 -5.358 1.858 734 1HG ARG 78 1HG ARG 78 -8.024 -5.181 -1.186 735 2HG ARG 78 2HG ARG 78 -6.569 -5.549 -0.282 736 1HD ARG 78 1HD ARG 78 -7.201 -7.733 -0.595 737 2HD ARG 78 2HD ARG 78 -8.267 -7.439 0.765 738 HE ARG 78 HE ARG 78 -9.854 -6.596 -1.258 739 1HH1 ARG 78 1HH1 ARG 78 -7.833 -9.498 -1.037 740 2HH1 ARG 78 2HH1 ARG 78 -8.850 -10.436 -2.079 741 2HH2 ARG 78 HH2 ARG 78 -10.822 -9.437 -3.006 742 QB ARG 78 QB ARG 78 -7.868 -4.616 1.395 743 QG ARG 78 QG ARG 78 -7.297 -5.365 -0.734 744 QD ARG 78 QD ARG 78 -7.734 -7.586 0.085 745 QH1 ARG 78 QH1 ARG 78 -8.342 -9.967 -1.558 746 H LEU 79 H LEU 79 -10.463 -2.738 2.036 747 HA LEU 79 HA LEU 79 -10.275 -3.420 4.721 748 1HB LEU 79 1HB LEU 79 -10.586 -1.145 3.345 749 2HB LEU 79 2HB LEU 79 -12.245 -1.369 3.864 750 HG LEU 79 HG LEU 79 -9.828 -1.221 5.688 751 1HD1 LEU 79 1HD1 LEU 79 -11.987 0.798 5.033 752 2HD1 LEU 79 2HD1 LEU 79 -10.878 0.935 6.419 753 3HD1 LEU 79 3HD1 LEU 79 -10.234 0.941 4.759 754 1HD2 LEU 79 1HD2 LEU 79 -12.758 -1.671 6.247 755 2HD2 LEU 79 2HD2 LEU 79 -11.351 -2.609 6.802 756 3HD2 LEU 79 3HD2 LEU 79 -11.656 -0.986 7.466 757 MD1 LEU 79 MD1 LEU 79 -11.033 0.891 5.404 758 MD2 LEU 79 MD2 LEU 79 -11.922 -1.756 6.839 759 QB LEU 79 QB LEU 79 -11.415 -1.257 3.604 760 QD LEU 79 QD LEU 79 -11.477 -0.432 6.121 761 H VAL 80 H VAL 80 -13.017 -3.603 2.394 762 HA VAL 80 HA VAL 80 -15.021 -4.199 4.185 763 HB VAL 80 HB VAL 80 -14.542 -5.113 1.345 764 1HG1 VAL 80 1HG1 VAL 80 -16.492 -6.062 3.179 765 2HG1 VAL 80 2HG1 VAL 80 -17.329 -4.988 2.033 766 3HG1 VAL 80 3HG1 VAL 80 -16.382 -6.369 1.430 767 1HG2 VAL 80 1HG2 VAL 80 -14.977 -2.573 2.307 768 2HG2 VAL 80 2HG2 VAL 80 -15.354 -3.131 0.659 769 3HG2 VAL 80 3HG2 VAL 80 -16.626 -3.112 1.905 770 MG1 VAL 80 MG1 VAL 80 -16.734 -5.806 2.214 771 MG2 VAL 80 MG2 VAL 80 -15.653 -2.939 1.624 772 QG VAL 80 QG VAL 80 -16.194 -4.372 1.919 773 H ALA 81 H ALA 81 -12.511 -6.311 2.703 774 HA ALA 81 HA ALA 81 -13.540 -8.743 3.559 775 1HB ALA 81 1HB ALA 81 -11.223 -7.729 2.261 776 2HB ALA 81 2HB ALA 81 -10.651 -8.711 3.631 777 3HB ALA 81 3HB ALA 81 -11.734 -9.427 2.413 778 MB ALA 81 MB ALA 81 -11.203 -8.622 2.769 779 H CYS 82 H CYS 82 -12.052 -6.093 5.316 780 HA CYS 82 HA CYS 82 -11.165 -7.656 7.505 781 1HB CYS 82 1HB CYS 82 -10.516 -5.207 6.714 782 2HB CYS 82 2HB CYS 82 -11.817 -4.741 7.792 783 HG CYS 82 HG CYS 82 -9.083 -5.494 8.509 784 QB CYS 82 QB CYS 82 -11.167 -4.974 7.253 785 H ALA 83 H ALA 83 -13.869 -5.233 7.130 786 HA ALA 83 HA ALA 83 -15.161 -5.798 9.484 787 1HB ALA 83 2HB ALA 83 -17.224 -5.090 7.901 788 2HB ALA 83 1HB ALA 83 -15.881 -4.632 6.826 789 3HB ALA 83 3HB ALA 83 -15.998 -3.924 8.455 790 MB ALA 83 MB ALA 83 -16.367 -4.548 7.728 791 H GLN 84 H GLN 84 -14.841 -7.739 6.590 792 HA GLN 84 HA GLN 84 -17.196 -9.221 6.920 793 1HB GLN 84 1HB GLN 84 -14.585 -9.800 5.463 794 2HB GLN 84 2HB GLN 84 -15.964 -10.880 5.400 795 1HG GLN 84 1HG GLN 84 -16.827 -8.141 4.874 796 2HG GLN 84 2HG GLN 84 -15.505 -8.564 3.803 797 2HE2 GLN 84 1HE2 GLN 84 -17.909 -8.083 2.734 798 1HE2 GLN 84 2HE2 GLN 84 -18.663 -9.527 2.145 799 QB GLN 84 QB GLN 84 -15.275 -10.340 5.431 800 QG GLN 84 QG GLN 84 -16.166 -8.352 4.339 801 QE GLN 84 QE GLN 84 -18.286 -8.805 2.439 802 H ASN 85 H ASN 85 -14.212 -9.109 8.661 803 HA ASN 85 HA ASN 85 -14.562 -11.830 9.592 804 1HB ASN 85 1HB ASN 85 -12.262 -10.843 8.904 805 2HB ASN 85 2HB ASN 85 -12.351 -9.855 10.348 806 2HD2 ASN 85 1HD2 ASN 85 -12.615 -10.927 12.415 807 1HD2 ASN 85 2HD2 ASN 85 -11.907 -12.485 12.684 808 QB ASN 85 QB ASN 85 -12.307 -10.349 9.626 809 QD ASN 85 QD ASN 85 -12.261 -11.706 12.549 810 H GLY 86 H GLY 86 -15.301 -8.530 10.324 811 1HA GLY 86 1HA GLY 86 -16.744 -7.971 12.092 812 2HA GLY 86 2HA GLY 86 -16.078 -9.271 13.061 813 QA GLY 86 QA GLY 86 -16.411 -8.621 12.577 814 H LEU 87 H LEU 87 -13.534 -7.737 11.386 815 HA LEU 87 HA LEU 87 -12.599 -6.549 13.818 816 1HB LEU 87 1HB LEU 87 -11.414 -6.580 11.039 817 2HB LEU 87 2HB LEU 87 -10.599 -6.048 12.496 818 HG LEU 87 HG LEU 87 -11.700 -8.839 12.364 819 1HD1 LEU 87 1HD1 LEU 87 -10.393 -8.386 10.257 820 2HD1 LEU 87 2HD1 LEU 87 -8.968 -8.114 11.289 821 3HD1 LEU 87 3HD1 LEU 87 -9.771 -9.702 11.281 822 1HD2 LEU 87 1HD2 LEU 87 -10.550 -7.524 14.387 823 2HD2 LEU 87 2HD2 LEU 87 -10.353 -9.275 14.137 824 3HD2 LEU 87 3HD2 LEU 87 -9.082 -8.150 13.598 825 MD1 LEU 87 MD1 LEU 87 -9.711 -8.734 10.942 826 MD2 LEU 87 MD2 LEU 87 -9.995 -8.316 14.041 827 QB LEU 87 QB LEU 87 -11.006 -6.314 11.768 828 QD LEU 87 QD LEU 87 -9.853 -8.525 12.492 829 H GLU 88 H GLU 88 -11.644 -4.239 13.719 830 HA GLU 88 HA GLU 88 -13.696 -2.483 13.455 831 1HB GLU 88 1HB GLU 88 -11.143 -2.367 14.422 832 2HB GLU 88 2HB GLU 88 -10.956 -1.386 12.982 833 1HG GLU 88 1HG GLU 88 -12.012 0.356 13.974 834 2HG GLU 88 2HG GLU 88 -13.432 -0.627 14.272 835 HE2 GLU 88 HE2 GLU 88 -13.597 0.374 16.299 836 QB GLU 88 QB GLU 88 -11.049 -1.876 13.702 837 QG GLU 88 QG GLU 88 -12.722 -0.135 14.123 838 H VAL 89 H VAL 89 -13.718 -0.453 11.961 839 HA VAL 89 HA VAL 89 -13.426 -1.438 9.223 840 HB VAL 89 HB VAL 89 -14.992 0.914 10.300 841 1HG1 VAL 89 1HG1 VAL 89 -14.478 -0.166 7.599 842 2HG1 VAL 89 2HG1 VAL 89 -16.190 0.159 7.962 843 3HG1 VAL 89 3HG1 VAL 89 -14.986 1.461 8.111 844 1HG2 VAL 89 1HG2 VAL 89 -15.601 -1.566 11.006 845 2HG2 VAL 89 2HG2 VAL 89 -16.863 -0.398 10.547 846 3HG2 VAL 89 3HG2 VAL 89 -16.306 -1.614 9.373 847 MG1 VAL 89 MG1 VAL 89 -15.218 0.485 7.891 848 MG2 VAL 89 MG2 VAL 89 -16.257 -1.193 10.309 849 QG VAL 89 QG VAL 89 -15.738 -0.354 9.100 850 H SER 90 H SER 90 -11.739 0.336 11.527 851 HA SER 90 HA SER 90 -10.795 2.285 9.616 852 1HB SER 90 1HB SER 90 -10.688 1.954 12.589 853 2HB SER 90 2HB SER 90 -9.314 2.759 11.858 854 HG SER 90 HG SER 90 -11.546 3.927 12.509 855 QB SER 90 QB SER 90 -10.001 2.356 12.223 856 H LEU 91 H LEU 91 -8.456 2.507 9.158 857 HA LEU 91 HA LEU 91 -7.253 0.064 8.571 858 1HB LEU 91 1HB LEU 91 -6.557 2.930 8.424 859 2HB LEU 91 2HB LEU 91 -5.196 1.827 8.485 860 HG LEU 91 HG LEU 91 -7.445 1.488 6.495 861 1HD1 LEU 91 1HD1 LEU 91 -6.141 3.775 6.478 862 2HD1 LEU 91 2HD1 LEU 91 -4.869 2.794 5.711 863 3HD1 LEU 91 3HD1 LEU 91 -6.483 2.899 4.967 864 1HD2 LEU 91 1HD2 LEU 91 -5.110 -0.025 7.167 865 2HD2 LEU 91 2HD2 LEU 91 -6.357 -0.361 5.942 866 3HD2 LEU 91 3HD2 LEU 91 -4.931 0.616 5.516 867 MD1 LEU 91 MD1 LEU 91 -5.831 3.156 5.719 868 MD2 LEU 91 MD2 LEU 91 -5.466 0.077 6.209 869 QB LEU 91 QB LEU 91 -5.877 2.379 8.455 870 QD LEU 91 QD LEU 91 -5.648 1.616 5.964 871 H SER 92 H SER 92 -7.401 1.945 11.512 872 HA SER 92 HA SER 92 -5.019 1.254 12.669 873 1HB SER 92 1HB SER 92 -7.649 2.240 13.542 874 2HB SER 92 2HB SER 92 -6.896 1.235 14.764 875 HG SER 92 HG SER 92 -5.736 2.961 15.252 876 QB SER 92 QB SER 92 -7.272 1.738 14.153 877 H SER 93 H SER 93 -7.697 -0.741 11.750 878 HA SER 93 HA SER 93 -6.834 -2.806 13.611 879 1HB SER 93 1HB SER 93 -8.986 -3.878 13.222 880 2HB SER 93 2HB SER 93 -9.260 -2.196 13.627 881 HG SER 93 HG SER 93 -10.538 -2.926 11.786 882 QB SER 93 QB SER 93 -9.123 -3.037 13.424 883 H LEU 94 H LEU 94 -6.637 -1.709 10.351 884 HA LEU 94 HA LEU 94 -6.534 -4.263 9.094 885 1HB LEU 94 1HB LEU 94 -5.959 -1.434 8.295 886 2HB LEU 94 2HB LEU 94 -5.425 -2.751 7.270 887 HG LEU 94 HG LEU 94 -7.657 -1.665 6.713 888 1HD1 LEU 94 1HD1 LEU 94 -7.444 -4.660 7.094 889 2HD1 LEU 94 2HD1 LEU 94 -8.729 -3.860 6.157 890 3HD1 LEU 94 3HD1 LEU 94 -7.030 -3.708 5.647 891 1HD2 LEU 94 1HD2 LEU 94 -8.294 -1.841 9.274 892 2HD2 LEU 94 2HD2 LEU 94 -9.528 -1.940 7.995 893 3HD2 LEU 94 3HD2 LEU 94 -8.924 -3.426 8.766 894 MD1 LEU 94 MD1 LEU 94 -7.734 -4.076 6.299 895 MD2 LEU 94 MD2 LEU 94 -8.915 -2.403 8.678 896 QB LEU 94 QB LEU 94 -5.692 -2.093 7.783 897 QD LEU 94 QD LEU 94 -8.325 -3.239 7.489 898 H SER 95 H SER 95 -4.323 -4.498 7.611 899 HA SER 95 HA SER 95 -2.123 -4.718 7.569 900 1HB SER 95 1HB SER 95 -2.067 -2.717 9.263 901 2HB SER 95 2HB SER 95 -1.833 -3.947 10.490 902 HG SER 95 HG SER 95 0.237 -3.822 9.963 903 QB SER 95 QB SER 95 -1.950 -3.332 9.877 904 H LEU 96 H LEU 96 -4.369 -6.509 8.694 905 HA LEU 96 HA LEU 96 -2.604 -8.420 10.062 906 1HB LEU 96 1HB LEU 96 -5.529 -8.659 10.405 907 2HB LEU 96 2HB LEU 96 -4.224 -8.984 11.527 908 HG LEU 96 HG LEU 96 -5.041 -6.174 10.769 909 1HD1 LEU 96 1HD1 LEU 96 -6.198 -8.004 12.864 910 2HD1 LEU 96 2HD1 LEU 96 -6.211 -6.235 13.061 911 3HD1 LEU 96 3HD1 LEU 96 -7.035 -6.982 11.671 912 1HD2 LEU 96 1HD2 LEU 96 -2.839 -7.153 12.157 913 2HD2 LEU 96 2HD2 LEU 96 -3.444 -5.479 12.153 914 3HD2 LEU 96 3HD2 LEU 96 -3.955 -6.607 13.431 915 MD1 LEU 96 MD1 LEU 96 -6.481 -7.074 12.532 916 MD2 LEU 96 MD2 LEU 96 -3.413 -6.413 12.580 917 QB LEU 96 QB LEU 96 -4.877 -8.822 10.966 918 QD LEU 96 QD LEU 96 -4.947 -6.743 12.556 919 H ALA 97 H ALA 97 -4.368 -10.649 9.849 920 HA ALA 97 HA ALA 97 -4.039 -11.166 7.000 921 1HB ALA 97 2HB ALA 97 -4.900 -13.478 8.411 922 2HB ALA 97 3HB ALA 97 -3.266 -13.115 7.804 923 3HB ALA 97 1HB ALA 97 -3.724 -12.650 9.460 924 MB ALA 97 MB ALA 97 -3.963 -13.081 8.558 925 H VAL 98 H VAL 98 -6.003 -9.436 7.032 926 HA VAL 98 HA VAL 98 -8.525 -10.224 7.806 927 HB VAL 98 HB VAL 98 -9.322 -8.575 6.252 928 1HG1 VAL 98 1HG1 VAL 98 -8.068 -7.864 8.321 929 2HG1 VAL 98 2HG1 VAL 98 -6.638 -7.617 7.291 930 3HG1 VAL 98 3HG1 VAL 98 -8.109 -6.655 7.015 931 1HG2 VAL 98 1HG2 VAL 98 -6.714 -9.094 4.876 932 2HG2 VAL 98 2HG2 VAL 98 -8.341 -8.850 4.194 933 3HG2 VAL 98 3HG2 VAL 98 -7.407 -7.457 4.790 934 MG1 VAL 98 MG1 VAL 98 -7.605 -7.379 7.542 935 MG2 VAL 98 MG2 VAL 98 -7.487 -8.467 4.620 936 QG VAL 98 QG VAL 98 -7.546 -7.923 6.081 937 HA PRO 99 HA PRO 99 -9.477 -13.443 5.076 938 1HB PRO 99 1HB PRO 99 -12.192 -13.536 5.373 939 2HB PRO 99 2HB PRO 99 -11.078 -14.271 6.509 940 1HG PRO 99 1HG PRO 99 -12.647 -11.783 6.799 941 2HG PRO 99 2HG PRO 99 -11.878 -12.747 8.044 942 1HD PRO 99 1HD PRO 99 -10.932 -10.262 6.967 943 2HD PRO 99 2HD PRO 99 -10.106 -11.284 8.127 944 QB PRO 99 QB PRO 99 -11.635 -13.904 5.941 945 QG PRO 99 QG PRO 99 -12.263 -12.265 7.421 946 QD PRO 99 QD PRO 99 -10.519 -10.773 7.547 947 HA PRO 100 HA PRO 100 -10.781 -12.056 1.279 948 1HB PRO 100 1HB PRO 100 -12.191 -14.113 0.160 949 2HB PRO 100 2HB PRO 100 -10.440 -14.072 0.221 950 1HG PRO 100 2HG PRO 100 -10.598 -15.919 1.593 951 2HG PRO 100 1HG PRO 100 -12.314 -15.676 1.851 952 1HD PRO 100 1HD PRO 100 -11.843 -14.821 3.932 953 2HD PRO 100 2HD PRO 100 -10.123 -14.958 3.627 954 QB PRO 100 QB PRO 100 -11.316 -14.093 0.190 955 QG PRO 100 QG PRO 100 -11.456 -15.797 1.722 956 QD PRO 100 QD PRO 100 -10.983 -14.890 3.779 957 HA PRO 101 HA PRO 101 -14.610 -10.237 1.565 958 1HB PRO 101 1HB PRO 101 -14.731 -8.932 -0.833 959 2HB PRO 101 2HB PRO 101 -13.876 -8.300 0.560 960 1HG PRO 101 1HG PRO 101 -12.772 -9.539 -1.886 961 2HG PRO 101 2HG PRO 101 -11.960 -8.535 -0.701 962 1HD PRO 101 1HD PRO 101 -11.762 -11.385 -0.961 963 2HD PRO 101 2HD PRO 101 -11.043 -10.395 0.293 964 QB PRO 101 QB PRO 101 -14.304 -8.616 -0.137 965 QG PRO 101 QG PRO 101 -12.366 -9.037 -1.294 966 QD PRO 101 QD PRO 101 -11.403 -10.890 -0.334 967 H ARG 102 H ARG 102 -16.520 -9.677 -0.342 968 HA ARG 102 HA ARG 102 -17.321 -12.410 -0.849 969 1HB ARG 102 1HB ARG 102 -18.710 -10.336 0.294 970 2HB ARG 102 2HB ARG 102 -19.215 -10.141 -1.373 971 1HG ARG 102 1HG ARG 102 -19.565 -12.810 -1.202 972 2HG ARG 102 2HG ARG 102 -19.708 -12.447 0.506 973 1HD ARG 102 1HD ARG 102 -21.754 -11.445 0.247 974 2HD ARG 102 2HD ARG 102 -21.248 -10.567 -1.183 975 HE ARG 102 HE ARG 102 -22.661 -13.099 -1.131 976 1HH1 ARG 102 1HH1 ARG 102 -20.305 -11.240 -3.014 977 2HH1 ARG 102 2HH1 ARG 102 -20.681 -12.037 -4.505 978 2HH2 ARG 102 HH2 ARG 102 -22.362 -13.745 -4.531 979 QB ARG 102 QB ARG 102 -18.963 -10.238 -0.540 980 QG ARG 102 QG ARG 102 -19.637 -12.628 -0.348 981 QD ARG 102 QD ARG 102 -21.501 -11.006 -0.468 982 QH1 ARG 102 QH1 ARG 102 -20.493 -11.638 -3.760 983 H PHE 103 H PHE 103 -16.484 -9.327 -2.400 984 HA PHE 103 HA PHE 103 -17.601 -9.365 -4.806 985 1HB PHE 103 2HB PHE 103 -15.507 -8.279 -5.553 986 2HB PHE 103 1HB PHE 103 -14.569 -9.161 -4.365 987 HD1 PHE 103 HD1 PHE 103 -17.444 -6.776 -4.488 988 HD2 PHE 103 HD2 PHE 103 -13.945 -8.044 -2.448 989 HE1 PHE 103 HE1 PHE 103 -17.693 -4.869 -2.876 990 HE2 PHE 103 HE2 PHE 103 -14.194 -6.137 -0.836 991 HZ PHE 103 HZ PHE 103 -16.065 -4.572 -1.069 992 QB PHE 103 QB PHE 103 -15.038 -8.720 -4.959 993 QD PHE 103 QD PHE 103 -15.694 -7.410 -3.468 994 QE PHE 103 QE PHE 103 -15.943 -5.503 -1.856 995 QR PHE 103 QR PHE 103 -15.819 -6.456 -2.662 996 H HIS 104 H HIS 104 -16.811 -10.091 -6.998 997 HA HIS 104 HA HIS 104 -16.544 -12.885 -6.994 998 1HB HIS 104 1HB HIS 104 -17.578 -11.217 -8.732 999 2HB HIS 104 2HB HIS 104 -15.955 -11.168 -9.390 1000 HD1 HIS 104 HD1 HIS 104 -17.239 -12.287 -11.529 1001 HD2 HIS 104 HD2 HIS 104 -16.774 -14.696 -8.127 1002 HE1 HIS 104 HE1 HIS 104 -17.612 -14.691 -12.299 1003 QB HIS 104 QB HIS 104 -16.766 -11.192 -9.061 1004 H ASP 105 H ASP 105 -14.732 -13.896 -8.553 1005 HA ASP 105 HA ASP 105 -12.466 -14.050 -7.228 1006 1HB ASP 105 1HB ASP 105 -12.610 -15.514 -9.045 1007 2HB ASP 105 2HB ASP 105 -13.127 -14.259 -10.153 1008 HD2 ASP 105 HD2 ASP 105 -10.960 -13.533 -11.587 1009 QB ASP 105 QB ASP 105 -12.868 -14.887 -9.599 No H/Q in entry = 1009 Start of MODEL 18 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.809 0.909 -1.785 3 1HB LEU 7 2HB LEU 7 4.094 0.231 -1.911 4 2HB LEU 7 1HB LEU 7 3.897 -0.915 -0.600 5 HG LEU 7 HG LEU 7 4.085 0.667 1.020 6 1HD1 LEU 7 1HD1 LEU 7 5.778 1.161 -1.229 7 2HD1 LEU 7 2HD1 LEU 7 5.409 2.713 -0.439 8 3HD1 LEU 7 3HD1 LEU 7 6.118 1.380 0.505 9 1HD2 LEU 7 1HD2 LEU 7 2.651 2.504 -0.881 10 2HD2 LEU 7 2HD2 LEU 7 2.180 1.962 0.748 11 3HD2 LEU 7 3HD2 LEU 7 3.494 3.146 0.549 12 MD1 LEU 7 MD1 LEU 7 5.768 1.752 -0.388 13 MD2 LEU 7 MD2 LEU 7 2.775 2.537 0.138 14 QB LEU 7 QB LEU 7 3.996 -0.342 -1.256 15 QD LEU 7 QD LEU 7 4.272 2.144 -0.125 16 H SER 8 H SER 8 3.616 -1.660 -2.503 17 HA SER 8 HA SER 8 2.258 -2.675 -4.460 18 1HB SER 8 1HB SER 8 3.233 -5.042 -3.358 19 2HB SER 8 2HB SER 8 4.137 -3.935 -4.371 20 HG SER 8 HG SER 8 5.306 -3.301 -2.684 21 QB SER 8 QB SER 8 3.685 -4.488 -3.864 22 H LEU 9 H LEU 9 0.674 -4.350 -4.891 23 HA LEU 9 HA LEU 9 -1.598 -4.344 -3.531 24 1HB LEU 9 1HB LEU 9 -0.618 -6.960 -4.618 25 2HB LEU 9 2HB LEU 9 -2.228 -6.269 -4.670 26 HG LEU 9 HG LEU 9 0.176 -5.530 -6.340 27 1HD1 LEU 9 1HD1 LEU 9 -2.033 -7.260 -6.717 28 2HD1 LEU 9 2HD1 LEU 9 -2.277 -5.859 -7.788 29 3HD1 LEU 9 3HD1 LEU 9 -0.771 -6.804 -7.887 30 1HD2 LEU 9 1HD2 LEU 9 -2.120 -3.840 -5.568 31 2HD2 LEU 9 2HD2 LEU 9 -0.506 -3.394 -6.173 32 3HD2 LEU 9 3HD2 LEU 9 -1.772 -3.909 -7.313 33 MD1 LEU 9 MD1 LEU 9 -1.694 -6.641 -7.464 34 MD2 LEU 9 MD2 LEU 9 -1.466 -3.714 -6.351 35 QB LEU 9 QB LEU 9 -1.423 -6.615 -4.644 36 QD LEU 9 QD LEU 9 -1.580 -5.177 -6.908 37 H THR 10 H THR 10 1.287 -6.328 -2.710 38 HA THR 10 HA THR 10 0.232 -7.955 -0.783 39 HB THR 10 HB THR 10 2.916 -6.541 -1.109 40 HG1 THR 10 HG1 THR 10 2.204 -8.246 -2.604 41 1HG2 THR 10 1HG2 THR 10 1.995 -8.548 0.993 42 2HG2 THR 10 2HG2 THR 10 3.682 -8.520 0.425 43 3HG2 THR 10 3HG2 THR 10 2.988 -7.089 1.226 44 MG THR 10 MG THR 10 2.889 -8.052 0.881 45 H GLN 11 H GLN 11 1.711 -4.702 -0.128 46 HA GLN 11 HA GLN 11 0.666 -4.744 2.492 47 1HB GLN 11 1HB GLN 11 2.468 -3.096 0.905 48 2HB GLN 11 2HB GLN 11 1.353 -2.073 1.790 49 1HG GLN 11 1HG GLN 11 1.975 -3.825 3.777 50 2HG GLN 11 2HG GLN 11 3.447 -3.956 2.836 51 2HE2 GLN 11 1HE2 GLN 11 2.390 -2.582 5.441 52 1HE2 GLN 11 2HE2 GLN 11 3.143 -1.022 5.419 53 QB GLN 11 QB GLN 11 1.911 -2.585 1.347 54 QG GLN 11 QG GLN 11 2.711 -3.891 3.306 55 QE GLN 11 QE GLN 11 2.767 -1.802 5.430 56 H LEU 12 H LEU 12 -0.403 -3.529 -0.670 57 HA LEU 12 HA LEU 12 -2.211 -1.614 0.057 58 1HB LEU 12 1HB LEU 12 -1.437 -2.606 -2.244 59 2HB LEU 12 2HB LEU 12 -2.870 -3.601 -2.081 60 HG LEU 12 HG LEU 12 -3.651 -1.832 -3.334 61 1HD1 LEU 12 1HD1 LEU 12 -5.063 -2.167 -1.345 62 2HD1 LEU 12 2HD1 LEU 12 -4.164 -0.884 -0.502 63 3HD1 LEU 12 3HD1 LEU 12 -5.126 -0.493 -1.947 64 1HD2 LEU 12 1HD2 LEU 12 -1.617 -0.485 -3.263 65 2HD2 LEU 12 2HD2 LEU 12 -3.062 0.523 -3.012 66 3HD2 LEU 12 3HD2 LEU 12 -2.034 0.082 -1.628 67 MD1 LEU 12 MD1 LEU 12 -4.785 -1.181 -1.265 68 MD2 LEU 12 MD2 LEU 12 -2.238 0.040 -2.635 69 QB LEU 12 QB LEU 12 -2.154 -3.103 -2.163 70 QD LEU 12 QD LEU 12 -3.511 -0.571 -1.950 71 H SER 13 H SER 13 -2.586 -5.202 0.069 72 HA SER 13 HA SER 13 -4.423 -5.032 2.172 73 1HB SER 13 1HB SER 13 -5.506 -5.105 -0.589 74 2HB SER 13 2HB SER 13 -6.153 -6.357 0.453 75 HG SER 13 HG SER 13 -6.842 -3.754 0.380 76 QB SER 13 QB SER 13 -5.829 -5.731 -0.068 77 H SER 14 H SER 14 -2.172 -6.378 2.290 78 HA SER 14 HA SER 14 -1.211 -8.303 2.561 79 1HB SER 14 1HB SER 14 -3.969 -8.755 3.204 80 2HB SER 14 2HB SER 14 -3.399 -10.188 2.374 81 HG SER 14 HG SER 14 -1.686 -9.098 4.366 82 QB SER 14 QB SER 14 -3.684 -9.472 2.789 83 H GLY 15 H GLY 15 -2.136 -7.283 -0.252 84 1HA GLY 15 1HA GLY 15 -1.649 -7.911 -2.364 85 2HA GLY 15 2HA GLY 15 -0.937 -9.389 -1.747 86 QA GLY 15 QA GLY 15 -1.293 -8.650 -2.055 87 H ASN 16 H ASN 16 -4.313 -8.175 -1.277 88 HA ASN 16 HA ASN 16 -5.411 -10.659 -1.755 89 1HB ASN 16 1HB ASN 16 -6.331 -8.209 -0.836 90 2HB ASN 16 2HB ASN 16 -7.114 -8.285 -2.402 91 2HD2 ASN 16 1HD2 ASN 16 -8.547 -8.292 -0.070 92 1HD2 ASN 16 2HD2 ASN 16 -9.324 -9.821 0.172 93 QB ASN 16 QB ASN 16 -6.722 -8.247 -1.619 94 QD ASN 16 QD ASN 16 -8.936 -9.056 0.051 95 HA PRO 17 HA PRO 17 -5.252 -10.499 -6.169 96 1HB PRO 17 1HB PRO 17 -6.370 -12.939 -6.683 97 2HB PRO 17 2HB PRO 17 -4.670 -12.722 -6.321 98 1HG PRO 17 2HG PRO 17 -5.076 -13.956 -4.415 99 2HG PRO 17 1HG PRO 17 -6.812 -13.792 -4.587 100 1HD PRO 17 1HD PRO 17 -6.791 -12.205 -2.924 101 2HD PRO 17 2HD PRO 17 -5.043 -12.287 -2.834 102 QB PRO 17 QB PRO 17 -5.520 -12.831 -6.502 103 QG PRO 17 QG PRO 17 -5.944 -13.874 -4.501 104 QD PRO 17 QD PRO 17 -5.917 -12.246 -2.879 105 H VAL 18 H VAL 18 -8.090 -10.869 -4.290 106 HA VAL 18 HA VAL 18 -10.081 -10.993 -6.076 107 HB VAL 18 HB VAL 18 -10.524 -10.857 -3.760 108 1HG1 VAL 18 1HG1 VAL 18 -8.520 -9.008 -3.612 109 2HG1 VAL 18 2HG1 VAL 18 -9.955 -7.982 -3.377 110 3HG1 VAL 18 3HG1 VAL 18 -9.665 -9.367 -2.298 111 1HG2 VAL 18 1HG2 VAL 18 -11.621 -8.401 -5.166 112 2HG2 VAL 18 2HG2 VAL 18 -12.345 -10.026 -5.111 113 3HG2 VAL 18 3HG2 VAL 18 -12.241 -9.047 -3.628 114 MG1 VAL 18 MG1 VAL 18 -9.380 -8.786 -3.096 115 MG2 VAL 18 MG2 VAL 18 -12.069 -9.158 -4.635 116 QG VAL 18 QG VAL 18 -10.724 -8.972 -3.865 117 H TYR 19 H TYR 19 -8.207 -8.004 -5.239 118 HA TYR 19 HA TYR 19 -9.594 -6.362 -7.055 119 1HB TYR 19 1HB TYR 19 -6.929 -6.428 -5.558 120 2HB TYR 19 2HB TYR 19 -7.201 -5.140 -6.715 121 HD1 TYR 19 HD1 TYR 19 -8.476 -6.652 -3.569 122 HD2 TYR 19 HD2 TYR 19 -8.575 -3.264 -6.180 123 HE1 TYR 19 HE1 TYR 19 -9.723 -5.317 -1.801 124 HE2 TYR 19 HE2 TYR 19 -9.821 -1.940 -4.403 125 HH TYR 19 HH TYR 19 -9.978 -2.892 -1.227 126 QB TYR 19 QB TYR 19 -7.065 -5.784 -6.137 127 QD TYR 19 QD TYR 19 -8.525 -4.958 -4.874 128 QE TYR 19 QE TYR 19 -9.772 -3.629 -3.102 129 QR TYR 19 QR TYR 19 -9.149 -4.293 -3.988 130 H GLU 20 H GLU 20 -6.694 -8.459 -7.326 131 HA GLU 20 HA GLU 20 -5.663 -7.467 -9.639 132 1HB GLU 20 1HB GLU 20 -5.393 -9.842 -8.037 133 2HB GLU 20 2HB GLU 20 -5.480 -10.344 -9.713 134 1HG GLU 20 1HG GLU 20 -3.759 -7.965 -9.295 135 2HG GLU 20 2HG GLU 20 -3.199 -9.382 -8.429 136 HE2 GLU 20 HE2 GLU 20 -1.688 -10.590 -11.018 137 QB GLU 20 QB GLU 20 -5.436 -10.093 -8.875 138 QG GLU 20 QG GLU 20 -3.479 -8.673 -8.862 139 H LYS 21 H LYS 21 -8.442 -9.688 -9.141 140 HA LYS 21 HA LYS 21 -8.821 -10.623 -11.666 141 1HB LYS 21 1HB LYS 21 -10.264 -10.522 -9.254 142 2HB LYS 21 2HB LYS 21 -11.345 -9.851 -10.459 143 1HG LYS 21 1HG LYS 21 -10.898 -11.845 -11.934 144 2HG LYS 21 2HG LYS 21 -9.878 -12.522 -10.681 145 1HD LYS 21 1HD LYS 21 -12.013 -12.176 -9.137 146 2HD LYS 21 2HD LYS 21 -12.879 -12.113 -10.659 147 1HE LYS 21 2HE LYS 21 -11.210 -14.337 -10.993 148 2HE LYS 21 1HE LYS 21 -12.916 -14.387 -10.596 149 QB LYS 21 QB LYS 21 -10.804 -10.186 -9.856 150 QD LYS 21 QD LYS 21 -12.446 -12.144 -9.898 151 QG LYS 21 QG LYS 21 -10.388 -12.184 -11.307 152 QE LYS 21 QE LYS 21 -12.063 -14.362 -10.794 153 QZ LYS 21 QZ LYS 21 -11.479 -15.168 -8.796 154 H TYR 22 H TYR 22 -10.369 -7.613 -10.329 155 HA TYR 22 HA TYR 22 -11.368 -6.741 -12.764 156 1HB TYR 22 2HB TYR 22 -11.595 -4.625 -11.485 157 2HB TYR 22 1HB TYR 22 -10.251 -5.056 -10.445 158 HD1 TYR 22 HD1 TYR 22 -13.302 -6.984 -11.485 159 HD2 TYR 22 HD2 TYR 22 -11.051 -5.274 -8.274 160 HE1 TYR 22 HE1 TYR 22 -14.919 -7.994 -9.804 161 HE2 TYR 22 HE2 TYR 22 -12.676 -6.290 -6.603 162 HH TYR 22 HH TYR 22 -15.157 -6.996 -6.710 163 QB TYR 22 QB TYR 22 -10.923 -4.841 -10.965 164 QD TYR 22 QD TYR 22 -12.176 -6.129 -9.880 165 QE TYR 22 QE TYR 22 -13.798 -7.142 -8.204 166 QR TYR 22 QR TYR 22 -12.987 -6.636 -9.042 167 H TYR 23 H TYR 23 -8.242 -5.958 -11.101 168 HA TYR 23 HA TYR 23 -7.328 -4.068 -12.880 169 1HB TYR 23 1HB TYR 23 -6.133 -4.517 -10.822 170 2HB TYR 23 2HB TYR 23 -6.159 -6.248 -11.089 171 HD1 TYR 23 HD1 TYR 23 -4.764 -7.097 -13.174 172 HD2 TYR 23 HD2 TYR 23 -4.168 -3.331 -11.233 173 HE1 TYR 23 HE1 TYR 23 -2.403 -6.980 -14.111 174 HE2 TYR 23 HE2 TYR 23 -1.809 -3.227 -12.176 175 HH TYR 23 HH TYR 23 -0.453 -5.955 -13.944 176 QB TYR 23 QB TYR 23 -6.146 -5.383 -10.956 177 QD TYR 23 QD TYR 23 -4.466 -5.214 -12.204 178 QE TYR 23 QE TYR 23 -2.106 -5.104 -13.143 179 QR TYR 23 QR TYR 23 -3.286 -5.159 -12.674 180 H ARG 24 H ARG 24 -7.626 -7.573 -13.257 181 HA ARG 24 HA ARG 24 -5.742 -7.720 -15.349 182 1HB ARG 24 1HB ARG 24 -6.570 -9.634 -13.814 183 2HB ARG 24 2HB ARG 24 -8.024 -9.672 -14.791 184 1HG ARG 24 2HG ARG 24 -6.027 -9.705 -16.731 185 2HG ARG 24 1HG ARG 24 -6.902 -11.109 -16.153 186 1HD ARG 24 1HD ARG 24 -4.161 -10.830 -16.022 187 2HD ARG 24 2HD ARG 24 -4.615 -10.264 -14.427 188 HE ARG 24 HE ARG 24 -6.103 -12.575 -14.691 189 1HH1 ARG 24 1HH1 ARG 24 -2.655 -11.862 -15.089 190 2HH1 ARG 24 2HH1 ARG 24 -2.146 -13.453 -14.633 191 2HH2 ARG 24 HH2 ARG 24 -3.795 -15.091 -14.049 192 QB ARG 24 QB ARG 24 -7.297 -9.653 -14.303 193 QG ARG 24 QG ARG 24 -6.464 -10.407 -16.442 194 QD ARG 24 QD ARG 24 -4.388 -10.547 -15.224 195 QH1 ARG 24 QH1 ARG 24 -2.400 -12.658 -14.861 196 H GLN 25 H GLN 25 -9.230 -7.077 -15.036 197 HA GLN 25 HA GLN 25 -9.951 -7.630 -17.654 198 1HB GLN 25 1HB GLN 25 -11.098 -6.077 -15.366 199 2HB GLN 25 2HB GLN 25 -11.737 -5.697 -16.953 200 1HG GLN 25 1HG GLN 25 -11.685 -8.484 -16.999 201 2HG GLN 25 2HG GLN 25 -12.076 -8.152 -15.323 202 2HE2 GLN 25 1HE2 GLN 25 -13.477 -5.800 -15.511 203 1HE2 GLN 25 2HE2 GLN 25 -14.977 -6.044 -16.342 204 QB GLN 25 QB GLN 25 -11.417 -5.887 -16.160 205 QG GLN 25 QG GLN 25 -11.880 -8.318 -16.161 206 QE GLN 25 QE GLN 25 -14.227 -5.922 -15.927 207 H VAL 26 H VAL 26 -8.404 -4.814 -16.115 208 HA VAL 26 HA VAL 26 -8.734 -3.218 -18.511 209 HB VAL 26 HB VAL 26 -8.206 -1.442 -17.221 210 1HG1 VAL 26 1HG1 VAL 26 -9.980 -2.957 -16.063 211 2HG1 VAL 26 2HG1 VAL 26 -8.713 -3.219 -14.841 212 3HG1 VAL 26 3HG1 VAL 26 -9.304 -1.573 -15.171 213 1HG2 VAL 26 1HG2 VAL 26 -6.143 -3.249 -16.048 214 2HG2 VAL 26 2HG2 VAL 26 -6.001 -1.581 -16.654 215 3HG2 VAL 26 3HG2 VAL 26 -6.700 -1.887 -15.046 216 MG1 VAL 26 MG1 VAL 26 -9.332 -2.583 -15.358 217 MG2 VAL 26 MG2 VAL 26 -6.281 -2.239 -15.916 218 QG VAL 26 QG VAL 26 -7.807 -2.411 -15.637 219 H GLU 27 H GLU 27 -6.632 -5.635 -17.286 220 HA GLU 27 HA GLU 27 -4.257 -4.567 -18.417 221 1HB GLU 27 1HB GLU 27 -4.301 -6.129 -16.448 222 2HB GLU 27 2HB GLU 27 -4.874 -7.410 -17.498 223 1HG GLU 27 1HG GLU 27 -2.780 -6.984 -18.949 224 2HG GLU 27 2HG GLU 27 -2.195 -5.962 -17.651 225 HE2 GLU 27 HE2 GLU 27 -1.939 -9.869 -17.449 226 QB GLU 27 QB GLU 27 -4.587 -6.769 -16.973 227 QG GLU 27 QG GLU 27 -2.488 -6.473 -18.300 228 H ALA 28 H ALA 28 -3.657 -4.637 -20.540 229 HA ALA 28 HA ALA 28 -5.318 -5.699 -22.497 230 1HB ALA 28 2HB ALA 28 -3.104 -5.422 -23.882 231 2HB ALA 28 1HB ALA 28 -2.469 -4.707 -22.381 232 3HB ALA 28 3HB ALA 28 -3.884 -3.983 -23.182 233 MB ALA 28 MB ALA 28 -3.152 -4.704 -23.148 234 H GLY 29 H GLY 29 -5.880 -7.857 -22.365 235 1HA GLY 29 1HA GLY 29 -5.644 -10.077 -22.623 236 2HA GLY 29 2HA GLY 29 -4.046 -9.784 -23.282 237 QA GLY 29 QA GLY 29 -4.845 -9.931 -22.952 238 H ASN 30 H ASN 30 -3.562 -11.874 -22.091 239 HA ASN 30 HA ASN 30 -3.417 -11.553 -19.235 240 1HB ASN 30 1HB ASN 30 -3.131 -13.825 -21.199 241 2HB ASN 30 2HB ASN 30 -2.260 -13.982 -19.686 242 2HD2 ASN 30 1HD2 ASN 30 -3.286 -14.878 -18.077 243 1HD2 ASN 30 2HD2 ASN 30 -4.999 -14.967 -17.839 244 QB ASN 30 QB ASN 30 -2.695 -13.903 -20.443 245 QD ASN 30 QD ASN 30 -4.142 -14.923 -17.958 246 H THR 31 H THR 31 -1.750 -9.811 -20.926 247 HA THR 31 HA THR 31 0.860 -10.845 -21.213 248 HB THR 31 HB THR 31 1.383 -8.387 -21.519 249 HG1 THR 31 HG1 THR 31 -0.362 -6.952 -21.028 250 1HG2 THR 31 1HG2 THR 31 -1.199 -9.412 -22.806 251 2HG2 THR 31 2HG2 THR 31 -0.392 -7.903 -23.295 252 3HG2 THR 31 3HG2 THR 31 0.437 -9.465 -23.506 253 MG THR 31 MG THR 31 -0.385 -8.927 -23.202 254 H GLY 32 H GLY 32 -0.698 -8.859 -18.622 255 1HA GLY 32 1HA GLY 32 -0.103 -9.519 -16.351 256 2HA GLY 32 2HA GLY 32 1.561 -9.651 -16.882 257 QA GLY 32 QA GLY 32 0.729 -9.585 -16.616 258 H ARG 33 H ARG 33 0.644 -7.124 -18.712 259 HA ARG 33 HA ARG 33 1.168 -5.232 -16.561 260 1HB ARG 33 1HB ARG 33 2.403 -5.593 -19.249 261 2HB ARG 33 2HB ARG 33 1.987 -3.931 -18.879 262 1HG ARG 33 1HG ARG 33 3.243 -4.112 -16.711 263 2HG ARG 33 2HG ARG 33 3.678 -5.762 -17.110 264 1HD ARG 33 1HD ARG 33 4.323 -3.924 -19.317 265 2HD ARG 33 2HD ARG 33 5.101 -3.429 -17.827 266 HE ARG 33 HE ARG 33 5.341 -6.302 -18.356 267 1HH1 ARG 33 1HH1 ARG 33 6.788 -3.122 -18.943 268 2HH1 ARG 33 2HH1 ARG 33 8.363 -3.762 -19.276 269 2HH2 ARG 33 HH2 ARG 33 8.710 -6.132 -19.185 270 QB ARG 33 QB ARG 33 2.195 -4.762 -19.064 271 QG ARG 33 QG ARG 33 3.460 -4.937 -16.910 272 QD ARG 33 QD ARG 33 4.712 -3.676 -18.572 273 QH1 ARG 33 QH1 ARG 33 7.576 -3.442 -19.109 274 H VAL 34 H VAL 34 -0.235 -3.458 -16.402 275 HA VAL 34 HA VAL 34 -2.561 -3.538 -18.097 276 HB VAL 34 HB VAL 34 -1.734 -1.919 -15.689 277 1HG1 VAL 34 1HG1 VAL 34 -4.135 -1.625 -17.486 278 2HG1 VAL 34 2HG1 VAL 34 -4.250 -1.246 -15.751 279 3HG1 VAL 34 3HG1 VAL 34 -3.090 -0.370 -16.778 280 1HG2 VAL 34 1HG2 VAL 34 -2.396 -4.384 -15.497 281 2HG2 VAL 34 2HG2 VAL 34 -3.281 -3.228 -14.473 282 3HG2 VAL 34 3HG2 VAL 34 -4.036 -3.865 -15.953 283 MG1 VAL 34 MG1 VAL 34 -3.825 -1.081 -16.672 284 MG2 VAL 34 MG2 VAL 34 -3.238 -3.825 -15.308 285 QG VAL 34 QG VAL 34 -3.531 -2.453 -15.990 286 H LEU 35 H LEU 35 -2.593 -2.557 -20.048 287 HA LEU 35 HA LEU 35 -0.613 -0.830 -20.925 288 1HB LEU 35 1HB LEU 35 -3.018 -2.029 -21.914 289 2HB LEU 35 2HB LEU 35 -3.000 -0.338 -22.374 290 HG LEU 35 HG LEU 35 -0.780 -2.324 -22.939 291 1HD1 LEU 35 1HD1 LEU 35 -3.282 -1.929 -24.249 292 2HD1 LEU 35 2HD1 LEU 35 -1.991 -1.321 -25.314 293 3HD1 LEU 35 3HD1 LEU 35 -1.932 -2.994 -24.709 294 1HD2 LEU 35 1HD2 LEU 35 -0.984 0.609 -23.211 295 2HD2 LEU 35 2HD2 LEU 35 0.445 -0.444 -23.075 296 3HD2 LEU 35 3HD2 LEU 35 -0.372 -0.249 -24.645 297 MD1 LEU 35 MD1 LEU 35 -2.401 -2.081 -24.757 298 MD2 LEU 35 MD2 LEU 35 -0.304 -0.028 -23.643 299 QB LEU 35 QB LEU 35 -3.009 -1.183 -22.144 300 QD LEU 35 QD LEU 35 -1.353 -1.055 -24.200 301 H ALA 36 H ALA 36 -3.212 -0.295 -18.722 302 HA ALA 36 HA ALA 36 -3.601 1.551 -17.505 303 1HB ALA 36 1HB ALA 36 -1.237 2.273 -18.373 304 2HB ALA 36 2HB ALA 36 -2.156 3.314 -19.487 305 3HB ALA 36 3HB ALA 36 -2.340 3.512 -17.728 306 MB ALA 36 MB ALA 36 -1.911 3.033 -18.529 307 H LEU 37 H LEU 37 -3.578 2.180 -21.083 308 HA LEU 37 HA LEU 37 -5.598 3.959 -21.260 309 1HB LEU 37 1HB LEU 37 -4.318 2.019 -22.976 310 2HB LEU 37 2HB LEU 37 -6.020 2.156 -23.370 311 HG LEU 37 HG LEU 37 -5.230 4.804 -23.130 312 1HD1 LEU 37 1HD1 LEU 37 -3.002 3.239 -24.461 313 2HD1 LEU 37 2HD1 LEU 37 -3.217 5.004 -24.551 314 3HD1 LEU 37 3HD1 LEU 37 -2.886 4.226 -22.985 315 1HD2 LEU 37 1HD2 LEU 37 -6.634 3.441 -24.877 316 2HD2 LEU 37 2HD2 LEU 37 -5.864 4.979 -25.333 317 3HD2 LEU 37 3HD2 LEU 37 -5.108 3.435 -25.793 318 MD1 LEU 37 MD1 LEU 37 -3.035 4.156 -23.999 319 MD2 LEU 37 MD2 LEU 37 -5.869 3.952 -25.334 320 QB LEU 37 QB LEU 37 -5.169 2.088 -23.173 321 QD LEU 37 QD LEU 37 -4.452 4.054 -24.667 322 H ASP 38 H ASP 38 -5.974 0.348 -21.174 323 HA ASP 38 HA ASP 38 -8.714 0.369 -21.271 324 1HB ASP 38 1HB ASP 38 -6.581 -1.516 -20.719 325 2HB ASP 38 2HB ASP 38 -7.859 -1.773 -19.549 326 HD2 ASP 38 HD2 ASP 38 -7.237 -2.824 -22.884 327 QB ASP 38 QB ASP 38 -7.220 -1.644 -20.134 328 H ALA 39 H ALA 39 -6.377 0.806 -18.589 329 HA ALA 39 HA ALA 39 -7.936 0.352 -16.395 330 1HB ALA 39 3HB ALA 39 -6.256 1.437 -15.240 331 2HB ALA 39 1HB ALA 39 -5.422 1.165 -16.789 332 3HB ALA 39 2HB ALA 39 -6.139 2.755 -16.431 333 MB ALA 39 MB ALA 39 -5.939 1.786 -16.153 334 H ALA 40 H ALA 40 -7.528 3.513 -18.151 335 HA ALA 40 HA ALA 40 -9.403 4.905 -16.661 336 1HB ALA 40 1HB ALA 40 -7.875 5.213 -19.138 337 2HB ALA 40 3HB ALA 40 -8.361 6.439 -17.942 338 3HB ALA 40 2HB ALA 40 -9.480 5.974 -19.246 339 MB ALA 40 MB ALA 40 -8.572 5.876 -18.775 340 H ALA 41 H ALA 41 -9.767 2.449 -19.163 341 HA ALA 41 HA ALA 41 -12.392 3.148 -19.942 342 1HB ALA 41 2HB ALA 41 -11.760 0.313 -20.163 343 2HB ALA 41 3HB ALA 41 -11.989 1.524 -21.447 344 3HB ALA 41 1HB ALA 41 -10.390 1.317 -20.694 345 MB ALA 41 MB ALA 41 -11.380 1.051 -20.768 346 H PHE 42 H PHE 42 -11.089 0.573 -17.726 347 HA PHE 42 HA PHE 42 -13.607 -0.242 -16.842 348 1HB PHE 42 1HB PHE 42 -11.678 -1.661 -16.494 349 2HB PHE 42 2HB PHE 42 -10.715 -0.338 -15.866 350 HD1 PHE 42 HD1 PHE 42 -11.294 0.580 -13.564 351 HD2 PHE 42 HD2 PHE 42 -12.869 -3.074 -15.040 352 HE1 PHE 42 HE1 PHE 42 -11.849 -0.127 -11.221 353 HE2 PHE 42 HE2 PHE 42 -13.424 -3.781 -12.697 354 HZ PHE 42 HZ PHE 42 -12.907 -2.299 -10.815 355 QB PHE 42 QB PHE 42 -11.197 -1.000 -16.180 356 QD PHE 42 QD PHE 42 -12.081 -1.247 -14.302 357 QE PHE 42 QE PHE 42 -12.636 -1.954 -11.959 358 QR PHE 42 QR PHE 42 -12.359 -1.601 -13.131 359 H LEU 43 H LEU 43 -11.283 2.228 -15.622 360 HA LEU 43 HA LEU 43 -12.366 2.743 -13.177 361 1HB LEU 43 1HB LEU 43 -11.112 4.572 -15.217 362 2HB LEU 43 2HB LEU 43 -11.555 5.112 -13.610 363 HG LEU 43 HG LEU 43 -9.711 2.759 -14.050 364 1HD1 LEU 43 1HD1 LEU 43 -9.143 5.664 -14.315 365 2HD1 LEU 43 2HD1 LEU 43 -7.974 4.690 -13.391 366 3HD1 LEU 43 3HD1 LEU 43 -8.358 4.259 -15.075 367 1HD2 LEU 43 1HD2 LEU 43 -10.805 3.085 -11.820 368 2HD2 LEU 43 2HD2 LEU 43 -9.026 3.120 -11.790 369 3HD2 LEU 43 3HD2 LEU 43 -9.948 4.640 -11.689 370 MD1 LEU 43 MD1 LEU 43 -8.492 4.871 -14.260 371 MD2 LEU 43 MD2 LEU 43 -9.926 3.615 -11.767 372 QB LEU 43 QB LEU 43 -11.333 4.842 -14.414 373 QD LEU 43 QD LEU 43 -9.209 4.243 -13.013 374 H LYS 44 H LYS 44 -13.444 3.974 -16.399 375 HA LYS 44 HA LYS 44 -15.367 5.724 -15.561 376 1HB LYS 44 1HB LYS 44 -14.993 4.010 -17.988 377 2HB LYS 44 2HB LYS 44 -16.523 4.838 -17.783 378 1HG LYS 44 1HG LYS 44 -14.666 6.827 -17.138 379 2HG LYS 44 2HG LYS 44 -13.854 5.949 -18.419 380 1HD LYS 44 1HD LYS 44 -16.702 6.387 -19.034 381 2HD LYS 44 2HD LYS 44 -15.863 7.897 -18.741 382 1HE LYS 44 1HE LYS 44 -14.164 6.208 -20.374 383 2HE LYS 44 2HE LYS 44 -15.762 6.247 -21.092 384 QB LYS 44 QB LYS 44 -15.758 4.424 -17.885 385 QD LYS 44 QD LYS 44 -16.282 7.142 -18.887 386 QG LYS 44 QG LYS 44 -14.260 6.388 -17.779 387 QE LYS 44 QE LYS 44 -14.963 6.227 -20.733 388 QZ LYS 44 QZ LYS 44 -15.176 8.486 -21.284 389 H LYS 45 H LYS 45 -15.276 2.224 -15.280 390 HA LYS 45 HA LYS 45 -18.031 1.761 -15.101 391 1HB LYS 45 2HB LYS 45 -17.402 -0.372 -14.146 392 2HB LYS 45 1HB LYS 45 -15.794 0.211 -13.766 393 1HG LYS 45 1HG LYS 45 -15.873 0.784 -16.446 394 2HG LYS 45 2HG LYS 45 -15.234 -0.709 -15.788 395 1HD LYS 45 1HD LYS 45 -18.185 -0.728 -16.137 396 2HD LYS 45 2HD LYS 45 -17.301 -0.532 -17.637 397 1HE LYS 45 1HE LYS 45 -16.134 -2.601 -17.368 398 2HE LYS 45 2HE LYS 45 -16.486 -2.684 -15.653 399 QB LYS 45 QB LYS 45 -16.598 -0.080 -13.956 400 QD LYS 45 QD LYS 45 -17.743 -0.630 -16.887 401 QG LYS 45 QG LYS 45 -15.553 0.037 -16.117 402 QE LYS 45 QE LYS 45 -16.310 -2.643 -16.511 403 QZ LYS 45 QZ LYS 45 -18.652 -2.991 -17.108 404 H SER 46 H SER 46 -15.898 3.550 -13.094 405 HA SER 46 HA SER 46 -17.067 2.936 -10.623 406 1HB SER 46 2HB SER 46 -14.829 3.957 -10.824 407 2HB SER 46 1HB SER 46 -15.872 4.941 -9.816 408 HG SER 46 HG SER 46 -14.856 5.458 -12.429 409 QB SER 46 QB SER 46 -15.350 4.449 -10.320 410 H GLY 47 H GLY 47 -17.152 6.157 -12.305 411 1HA GLY 47 1HA GLY 47 -19.652 6.622 -12.946 412 2HA GLY 47 2HA GLY 47 -19.828 6.603 -11.202 413 QA GLY 47 QA GLY 47 -19.740 6.612 -12.074 414 H LEU 48 H LEU 48 -16.822 7.613 -11.139 415 HA LEU 48 HA LEU 48 -17.517 10.339 -10.848 416 1HB LEU 48 1HB LEU 48 -15.051 8.681 -10.588 417 2HB LEU 48 2HB LEU 48 -14.872 10.420 -10.718 418 HG LEU 48 HG LEU 48 -16.707 9.168 -8.672 419 1HD1 LEU 48 1HD1 LEU 48 -14.204 8.388 -8.628 420 2HD1 LEU 48 2HD1 LEU 48 -13.923 10.009 -7.948 421 3HD1 LEU 48 3HD1 LEU 48 -15.028 8.879 -7.128 422 1HD2 LEU 48 1HD2 LEU 48 -15.424 11.883 -9.004 423 2HD2 LEU 48 2HD2 LEU 48 -17.153 11.470 -8.926 424 3HD2 LEU 48 3HD2 LEU 48 -16.139 11.334 -7.470 425 MD1 LEU 48 MD1 LEU 48 -14.385 9.092 -7.901 426 MD2 LEU 48 MD2 LEU 48 -16.239 11.562 -8.467 427 QB LEU 48 QB LEU 48 -14.961 9.550 -10.653 428 QD LEU 48 QD LEU 48 -15.312 10.327 -8.184 429 HA PRO 49 HA PRO 49 -16.566 11.886 -14.762 430 1HB PRO 49 1HB PRO 49 -15.459 14.331 -14.250 431 2HB PRO 49 2HB PRO 49 -17.184 14.028 -14.187 432 1HG PRO 49 1HG PRO 49 -15.281 14.382 -11.952 433 2HG PRO 49 2HG PRO 49 -17.029 14.503 -11.935 434 1HD PRO 49 1HD PRO 49 -15.451 12.311 -10.969 435 2HD PRO 49 2HD PRO 49 -17.199 12.385 -11.058 436 QB PRO 49 QB PRO 49 -16.321 14.180 -14.218 437 QG PRO 49 QG PRO 49 -16.155 14.443 -11.944 438 QD PRO 49 QD PRO 49 -16.325 12.348 -11.014 439 H ASP 50 H ASP 50 -14.914 12.752 -16.347 440 HA ASP 50 HA ASP 50 -12.648 11.099 -15.969 441 1HB ASP 50 1HB ASP 50 -11.988 11.901 -18.206 442 2HB ASP 50 2HB ASP 50 -13.681 11.448 -18.197 443 HD2 ASP 50 HD2 ASP 50 -12.390 14.424 -19.761 444 QB ASP 50 QB ASP 50 -12.835 11.674 -18.201 445 H LEU 51 H LEU 51 -13.507 14.566 -15.746 446 HA LEU 51 HA LEU 51 -10.942 15.648 -15.800 447 1HB LEU 51 1HB LEU 51 -12.331 17.364 -15.948 448 2HB LEU 51 2HB LEU 51 -13.647 16.486 -15.194 449 HG LEU 51 HG LEU 51 -12.845 17.077 -12.977 450 1HD1 LEU 51 1HD1 LEU 51 -10.426 17.899 -14.466 451 2HD1 LEU 51 2HD1 LEU 51 -10.928 18.981 -13.144 452 3HD1 LEU 51 3HD1 LEU 51 -10.607 17.261 -12.814 453 1HD2 LEU 51 1HD2 LEU 51 -13.275 19.277 -14.975 454 2HD2 LEU 51 2HD2 LEU 51 -14.359 18.664 -13.704 455 3HD2 LEU 51 3HD2 LEU 51 -12.952 19.663 -13.268 456 MD1 LEU 51 MD1 LEU 51 -10.654 18.047 -13.475 457 MD2 LEU 51 MD2 LEU 51 -13.529 19.201 -13.982 458 QB LEU 51 QB LEU 51 -12.989 16.925 -15.571 459 QD LEU 51 QD LEU 51 -12.091 18.624 -13.729 460 H ILE 52 H ILE 52 -13.027 15.043 -12.879 461 HA ILE 52 HA ILE 52 -11.034 15.456 -11.030 462 HB ILE 52 HB ILE 52 -13.480 13.691 -10.940 463 1HG1 ILE 52 1HG1 ILE 52 -13.624 16.248 -11.344 464 2HG1 ILE 52 2HG1 ILE 52 -14.655 15.511 -10.134 465 1HG2 ILE 52 1HG2 ILE 52 -11.349 14.152 -8.947 466 2HG2 ILE 52 2HG2 ILE 52 -13.014 14.355 -8.351 467 3HG2 ILE 52 3HG2 ILE 52 -12.519 12.820 -9.103 468 1HD1 ILE 52 1HD1 ILE 52 -12.023 16.303 -9.048 469 2HD1 ILE 52 2HD1 ILE 52 -12.955 17.671 -9.703 470 3HD1 ILE 52 3HD1 ILE 52 -13.657 16.645 -8.429 471 MG ILE 52 MG ILE 52 -12.294 13.776 -8.800 472 MD ILE 52 MD ILE 52 -12.878 16.873 -9.060 473 QG ILE 52 QG ILE 52 -14.140 15.879 -10.739 474 H LEU 53 H LEU 53 -11.828 12.557 -12.975 475 HA LEU 53 HA LEU 53 -10.201 10.775 -11.558 476 1HB LEU 53 1HB LEU 53 -11.647 10.864 -14.114 477 2HB LEU 53 2HB LEU 53 -10.228 9.836 -14.131 478 HG LEU 53 HG LEU 53 -12.487 9.626 -12.120 479 1HD1 LEU 53 1HD1 LEU 53 -12.068 8.404 -14.802 480 2HD1 LEU 53 2HD1 LEU 53 -12.700 7.356 -13.510 481 3HD1 LEU 53 3HD1 LEU 53 -13.571 8.843 -13.955 482 1HD2 LEU 53 1HD2 LEU 53 -9.908 8.756 -11.821 483 2HD2 LEU 53 2HD2 LEU 53 -11.335 8.051 -11.024 484 3HD2 LEU 53 3HD2 LEU 53 -10.703 7.326 -12.522 485 MD1 LEU 53 MD1 LEU 53 -12.780 8.201 -14.089 486 MD2 LEU 53 MD2 LEU 53 -10.649 8.044 -11.789 487 QB LEU 53 QB LEU 53 -10.937 10.350 -14.122 488 QD LEU 53 QD LEU 53 -11.714 8.123 -12.939 489 H GLY 54 H GLY 54 -9.575 12.808 -14.494 490 1HA GLY 54 1HA GLY 54 -7.095 12.102 -15.215 491 2HA GLY 54 2HA GLY 54 -7.628 13.770 -15.153 492 QA GLY 54 QA GLY 54 -7.362 12.936 -15.184 493 H LYS 55 H LYS 55 -7.927 14.160 -12.348 494 HA LYS 55 HA LYS 55 -5.280 14.711 -11.640 495 1HB LYS 55 1HB LYS 55 -7.925 14.787 -10.205 496 2HB LYS 55 2HB LYS 55 -6.438 15.073 -9.325 497 1HG LYS 55 1HG LYS 55 -6.297 16.592 -11.769 498 2HG LYS 55 2HG LYS 55 -7.873 16.885 -11.061 499 1HD LYS 55 1HD LYS 55 -5.609 16.920 -9.118 500 2HD LYS 55 2HD LYS 55 -5.563 18.197 -10.318 501 1HE LYS 55 1HE LYS 55 -8.203 17.663 -8.966 502 2HE LYS 55 2HE LYS 55 -6.954 18.442 -8.015 503 QB LYS 55 QB LYS 55 -7.182 14.930 -9.765 504 QD LYS 55 QD LYS 55 -5.586 17.558 -9.718 505 QG LYS 55 QG LYS 55 -7.085 16.739 -11.415 506 QE LYS 55 QE LYS 55 -7.579 18.053 -8.490 507 QZ LYS 55 QZ LYS 55 -7.682 19.664 -10.286 508 H ILE 56 H ILE 56 -7.565 12.094 -10.635 509 HA ILE 56 HA ILE 56 -5.905 10.916 -8.759 510 HB ILE 56 HB ILE 56 -8.340 10.293 -10.203 511 1HG1 ILE 56 1HG1 ILE 56 -7.394 9.307 -7.504 512 2HG1 ILE 56 2HG1 ILE 56 -8.000 10.931 -7.762 513 1HG2 ILE 56 1HG2 ILE 56 -6.380 8.060 -9.688 514 2HG2 ILE 56 2HG2 ILE 56 -8.139 7.791 -9.699 515 3HG2 ILE 56 3HG2 ILE 56 -7.324 8.409 -11.156 516 1HD1 ILE 56 1HD1 ILE 56 -9.811 9.020 -9.000 517 2HD1 ILE 56 2HD1 ILE 56 -9.526 8.580 -7.299 518 3HD1 ILE 56 3HD1 ILE 56 -10.141 10.199 -7.708 519 MG ILE 56 MG ILE 56 -7.281 8.086 -10.181 520 MD ILE 56 MD ILE 56 -9.826 9.266 -8.002 521 QG ILE 56 QG ILE 56 -7.697 10.119 -7.633 522 H TRP 57 H TRP 57 -6.293 10.161 -12.291 523 HA TRP 57 HA TRP 57 -4.390 8.167 -12.406 524 1HB TRP 57 1HB TRP 57 -5.988 8.649 -14.179 525 2HB TRP 57 2HB TRP 57 -5.200 10.178 -14.512 526 HD1 TRP 57 HD1 TRP 57 -2.195 9.423 -14.803 527 HE1 TRP 57 HE1 TRP 57 -1.231 7.833 -16.676 528 HE3 TRP 57 HE3 TRP 57 -6.580 7.038 -15.771 529 HZ2 TRP 57 HZ2 TRP 57 -2.386 5.802 -18.316 530 HZ3 TRP 57 HZ3 TRP 57 -6.576 5.265 -17.523 531 HH2 TRP 57 HH2 TRP 57 -4.574 4.636 -18.776 532 QB TRP 57 QB TRP 57 -5.594 9.413 -14.346 533 H ASP 58 H ASP 58 -4.049 11.728 -13.088 534 HA ASP 58 HA ASP 58 -1.423 11.790 -13.633 535 1HB ASP 58 1HB ASP 58 -3.342 13.667 -13.268 536 2HB ASP 58 2HB ASP 58 -2.482 13.896 -11.758 537 HD2 ASP 58 HD2 ASP 58 0.300 15.320 -13.329 538 QB ASP 58 QB ASP 58 -2.912 13.782 -12.513 539 H LEU 59 H LEU 59 -3.083 11.644 -10.435 540 HA LEU 59 HA LEU 59 -0.657 11.943 -8.952 541 1HB LEU 59 1HB LEU 59 -2.513 12.773 -7.866 542 2HB LEU 59 2HB LEU 59 -3.534 11.427 -8.331 543 HG LEU 59 HG LEU 59 -2.804 11.658 -5.867 544 1HD1 LEU 59 1HD1 LEU 59 -3.685 9.558 -7.349 545 2HD1 LEU 59 2HD1 LEU 59 -2.169 8.896 -6.692 546 3HD1 LEU 59 3HD1 LEU 59 -3.421 9.516 -5.589 547 1HD2 LEU 59 1HD2 LEU 59 -0.247 11.484 -7.067 548 2HD2 LEU 59 2HD2 LEU 59 -0.655 11.554 -5.335 549 3HD2 LEU 59 3HD2 LEU 59 -0.496 9.979 -6.150 550 MD1 LEU 59 MD1 LEU 59 -3.092 9.323 -6.543 551 MD2 LEU 59 MD2 LEU 59 -0.466 11.005 -6.184 552 QB LEU 59 QB LEU 59 -3.024 12.100 -8.099 553 QD LEU 59 QD LEU 59 -1.779 10.164 -6.363 554 H ALA 60 H ALA 60 -2.482 9.321 -10.447 555 HA ALA 60 HA ALA 60 -1.222 7.281 -8.870 556 1HB ALA 60 3HB ALA 60 -2.562 5.794 -10.117 557 2HB ALA 60 1HB ALA 60 -3.552 7.270 -10.019 558 3HB ALA 60 2HB ALA 60 -2.654 6.899 -11.510 559 MB ALA 60 MB ALA 60 -2.922 6.654 -10.549 560 H ASP 61 H ASP 61 -1.207 7.917 -12.452 561 HA ASP 61 HA ASP 61 0.813 6.405 -13.176 562 1HB ASP 61 1HB ASP 61 -0.237 7.728 -14.852 563 2HB ASP 61 2HB ASP 61 0.079 9.227 -14.000 564 HD2 ASP 61 HD2 ASP 61 1.160 7.158 -16.321 565 QB ASP 61 QB ASP 61 -0.079 8.478 -14.426 566 H THR 62 H THR 62 3.174 6.590 -13.302 567 HA THR 62 HA THR 62 4.537 8.851 -12.252 568 HB THR 62 HB THR 62 4.080 6.397 -10.503 569 HG1 THR 62 HG1 THR 62 3.751 8.299 -9.034 570 1HG2 THR 62 1HG2 THR 62 6.627 7.271 -10.822 571 2HG2 THR 62 2HG2 THR 62 6.044 8.549 -9.728 572 3HG2 THR 62 3HG2 THR 62 5.981 6.844 -9.219 573 MG THR 62 MG THR 62 6.218 7.555 -9.923 574 H ASP 63 H ASP 63 4.574 5.342 -13.040 575 HA ASP 63 HA ASP 63 7.265 5.114 -13.438 576 1HB ASP 63 1HB ASP 63 5.209 3.406 -13.604 577 2HB ASP 63 2HB ASP 63 5.322 3.757 -15.317 578 HD2 ASP 63 HD2 ASP 63 6.631 2.035 -12.802 579 QB ASP 63 QB ASP 63 5.265 3.582 -14.460 580 H GLY 64 H GLY 64 4.597 5.941 -15.774 581 1HA GLY 64 1HA GLY 64 4.984 7.757 -17.321 582 2HA GLY 64 2HA GLY 64 6.628 7.185 -17.529 583 QA GLY 64 QA GLY 64 5.806 7.471 -17.425 584 H LYS 65 H LYS 65 5.660 7.379 -19.889 585 HA LYS 65 HA LYS 65 5.246 6.274 -21.759 586 1HB LYS 65 1HB LYS 65 6.610 4.455 -20.597 587 2HB LYS 65 2HB LYS 65 5.086 3.691 -20.192 588 1HG LYS 65 1HG LYS 65 4.511 3.858 -22.723 589 2HG LYS 65 2HG LYS 65 6.200 4.253 -22.971 590 1HD LYS 65 1HD LYS 65 6.934 2.116 -22.431 591 2HD LYS 65 2HD LYS 65 5.651 1.846 -21.269 592 1HE LYS 65 1HE LYS 65 4.161 1.069 -22.872 593 2HE LYS 65 2HE LYS 65 4.784 2.124 -24.125 594 QB LYS 65 QB LYS 65 5.848 4.073 -20.395 595 QD LYS 65 QD LYS 65 6.292 1.981 -21.850 596 QG LYS 65 QG LYS 65 5.356 4.056 -22.847 597 QE LYS 65 QE LYS 65 4.472 1.597 -23.499 598 QZ LYS 65 QZ LYS 65 5.987 0.184 -24.421 599 H GLY 66 H GLY 66 3.287 4.649 -19.158 600 1HA GLY 66 1HA GLY 66 0.899 5.824 -19.485 601 2HA GLY 66 2HA GLY 66 0.939 4.735 -20.858 602 QA GLY 66 QA GLY 66 0.919 5.279 -20.172 603 H VAL 67 H VAL 67 2.127 2.436 -20.024 604 HA VAL 67 HA VAL 67 0.241 1.004 -18.790 605 HB VAL 67 HB VAL 67 3.205 0.614 -18.346 606 1HG1 VAL 67 1HG1 VAL 67 1.301 -0.844 -17.222 607 2HG1 VAL 67 2HG1 VAL 67 1.253 -1.609 -18.828 608 3HG1 VAL 67 3HG1 VAL 67 2.767 -1.599 -17.892 609 1HG2 VAL 67 1HG2 VAL 67 1.550 0.435 -20.810 610 2HG2 VAL 67 2HG2 VAL 67 3.288 0.766 -20.611 611 3HG2 VAL 67 3HG2 VAL 67 2.684 -0.905 -20.515 612 MG1 VAL 67 MG1 VAL 67 1.774 -1.351 -17.981 613 MG2 VAL 67 MG2 VAL 67 2.507 0.099 -20.645 614 QG VAL 67 QG VAL 67 2.141 -0.626 -19.313 615 H LEU 68 H LEU 68 -0.213 0.247 -16.636 616 HA LEU 68 HA LEU 68 0.549 2.237 -14.633 617 1HB LEU 68 1HB LEU 68 -1.712 0.232 -14.660 618 2HB LEU 68 2HB LEU 68 -1.395 1.399 -13.391 619 HG LEU 68 HG LEU 68 -2.151 2.048 -16.254 620 1HD1 LEU 68 1HD1 LEU 68 -3.709 1.925 -13.685 621 2HD1 LEU 68 2HD1 LEU 68 -4.198 3.023 -14.998 622 3HD1 LEU 68 3HD1 LEU 68 -4.111 1.269 -15.291 623 1HD2 LEU 68 1HD2 LEU 68 -1.410 3.808 -13.921 624 2HD2 LEU 68 2HD2 LEU 68 -0.793 3.833 -15.591 625 3HD2 LEU 68 3HD2 LEU 68 -2.448 4.389 -15.246 626 MD1 LEU 68 MD1 LEU 68 -4.006 2.072 -14.658 627 MD2 LEU 68 MD2 LEU 68 -1.550 4.010 -14.919 628 QB LEU 68 QB LEU 68 -1.553 0.816 -14.025 629 QD LEU 68 QD LEU 68 -2.778 3.041 -14.789 630 H SER 69 H SER 69 0.555 1.152 -12.282 631 HA SER 69 HA SER 69 2.344 -1.134 -12.556 632 1HB SER 69 1HB SER 69 2.454 1.349 -10.943 633 2HB SER 69 2HB SER 69 2.798 -0.097 -10.015 634 HG SER 69 HG SER 69 4.088 0.549 -12.527 635 QB SER 69 QB SER 69 2.626 0.626 -10.479 636 H LYS 70 H LYS 70 2.412 -1.930 -9.832 637 HA LYS 70 HA LYS 70 -0.051 -3.337 -9.678 638 1HB LYS 70 1HB LYS 70 2.563 -3.331 -8.286 639 2HB LYS 70 2HB LYS 70 1.199 -3.839 -7.310 640 1HG LYS 70 2HG LYS 70 0.758 -5.145 -9.757 641 2HG LYS 70 1HG LYS 70 1.379 -5.878 -8.292 642 1HD LYS 70 1HD LYS 70 3.124 -4.521 -10.402 643 2HD LYS 70 2HD LYS 70 3.704 -5.362 -8.978 644 1HE LYS 70 2HE LYS 70 2.581 -7.474 -9.829 645 2HE LYS 70 1HE LYS 70 3.891 -6.900 -10.843 646 QB LYS 70 QB LYS 70 1.881 -3.585 -7.798 647 QD LYS 70 QD LYS 70 3.414 -4.941 -9.690 648 QG LYS 70 QG LYS 70 1.069 -5.511 -9.024 649 QE LYS 70 QE LYS 70 3.236 -7.187 -10.336 650 QZ LYS 70 QZ LYS 70 1.512 -6.954 -11.797 651 H GLN 71 H GLN 71 1.469 -1.561 -6.932 652 HA GLN 71 HA GLN 71 -0.907 -1.060 -5.694 653 1HB GLN 71 1HB GLN 71 0.383 0.707 -4.428 654 2HB GLN 71 2HB GLN 71 1.177 -0.854 -4.494 655 1HG GLN 71 1HG GLN 71 2.849 -0.111 -5.945 656 2HG GLN 71 2HG GLN 71 1.819 1.091 -6.697 657 2HE2 GLN 71 1HE2 GLN 71 2.810 0.340 -3.354 658 1HE2 GLN 71 2HE2 GLN 71 3.369 1.924 -2.930 659 QB GLN 71 QB GLN 71 0.780 -0.073 -4.461 660 QG GLN 71 QG GLN 71 2.334 0.490 -6.321 661 QE GLN 71 QE GLN 71 3.089 1.132 -3.142 662 H GLU 72 H GLU 72 0.756 0.740 -8.285 663 HA GLU 72 HA GLU 72 -0.396 3.160 -8.113 664 1HB GLU 72 1HB GLU 72 0.564 1.443 -10.366 665 2HB GLU 72 2HB GLU 72 -0.425 2.817 -10.819 666 1HG GLU 72 1HG GLU 72 1.228 4.046 -9.029 667 2HG GLU 72 2HG GLU 72 2.299 2.766 -9.564 668 HE2 GLU 72 HE2 GLU 72 3.058 5.263 -11.820 669 QB GLU 72 QB GLU 72 0.069 2.130 -10.593 670 QG GLU 72 QG GLU 72 1.764 3.406 -9.297 671 H PHE 73 H PHE 73 -1.702 0.686 -10.434 672 HA PHE 73 HA PHE 73 -4.129 1.895 -10.799 673 1HB PHE 73 1HB PHE 73 -3.416 0.068 -12.222 674 2HB PHE 73 2HB PHE 73 -3.052 -0.963 -10.852 675 HD1 PHE 73 HD1 PHE 73 -5.008 -1.860 -9.480 676 HD2 PHE 73 HD2 PHE 73 -5.502 -0.054 -13.289 677 HE1 PHE 73 HE1 PHE 73 -7.255 -2.956 -9.709 678 HE2 PHE 73 HE2 PHE 73 -7.749 -1.150 -13.517 679 HZ PHE 73 HZ PHE 73 -8.599 -2.587 -11.724 680 QB PHE 73 QB PHE 73 -3.234 -0.447 -11.537 681 QD PHE 73 QD PHE 73 -5.255 -0.957 -11.385 682 QE PHE 73 QE PHE 73 -7.502 -2.052 -11.613 683 QR PHE 73 QR PHE 73 -6.379 -1.505 -11.499 684 H PHE 74 H PHE 74 -3.192 -0.611 -8.358 685 HA PHE 74 HA PHE 74 -5.717 -1.024 -7.312 686 1HB PHE 74 1HB PHE 74 -2.836 -1.367 -6.608 687 2HB PHE 74 2HB PHE 74 -3.849 -1.193 -5.188 688 HD1 PHE 74 HD1 PHE 74 -3.692 -3.119 -8.380 689 HD2 PHE 74 HD2 PHE 74 -4.859 -3.075 -4.301 690 HE1 PHE 74 HE1 PHE 74 -4.327 -5.542 -8.536 691 HE2 PHE 74 HE2 PHE 74 -5.495 -5.499 -4.457 692 HZ PHE 74 HZ PHE 74 -5.221 -6.703 -6.573 693 QB PHE 74 QB PHE 74 -3.343 -1.280 -5.898 694 QD PHE 74 QD PHE 74 -4.275 -3.097 -6.341 695 QE PHE 74 QE PHE 74 -4.911 -5.520 -6.497 696 QR PHE 74 QR PHE 74 -4.593 -4.309 -6.419 697 H VAL 75 H VAL 75 -3.450 1.669 -6.909 698 HA VAL 75 HA VAL 75 -4.703 2.637 -4.524 699 HB VAL 75 HB VAL 75 -2.495 3.421 -6.344 700 1HG1 VAL 75 1HG1 VAL 75 -3.929 5.425 -4.570 701 2HG1 VAL 75 2HG1 VAL 75 -2.327 5.674 -5.303 702 3HG1 VAL 75 3HG1 VAL 75 -3.762 5.490 -6.341 703 1HG2 VAL 75 1HG2 VAL 75 -2.910 2.646 -3.552 704 2HG2 VAL 75 2HG2 VAL 75 -1.452 2.538 -4.567 705 3HG2 VAL 75 3HG2 VAL 75 -1.840 4.058 -3.725 706 MG1 VAL 75 MG1 VAL 75 -3.339 5.530 -5.405 707 MG2 VAL 75 MG2 VAL 75 -2.067 3.081 -3.948 708 QG VAL 75 QG VAL 75 -2.703 4.305 -4.676 709 H ALA 76 H ALA 76 -4.489 3.846 -7.951 710 HA ALA 76 HA ALA 76 -6.219 5.916 -7.780 711 1HB ALA 76 3HB ALA 76 -6.333 5.793 -10.115 712 2HB ALA 76 2HB ALA 76 -6.340 4.013 -10.122 713 3HB ALA 76 1HB ALA 76 -4.838 4.896 -9.761 714 MB ALA 76 MB ALA 76 -5.837 4.901 -9.999 715 H LEU 77 H LEU 77 -6.926 2.461 -7.553 716 HA LEU 77 HA LEU 77 -9.671 2.632 -8.154 717 1HB LEU 77 1HB LEU 77 -7.758 0.654 -7.425 718 2HB LEU 77 2HB LEU 77 -9.119 0.508 -6.332 719 HG LEU 77 HG LEU 77 -9.201 0.378 -9.357 720 1HD1 LEU 77 1HD1 LEU 77 -8.501 -1.587 -7.595 721 2HD1 LEU 77 2HD1 LEU 77 -10.254 -1.855 -7.754 722 3HD1 LEU 77 3HD1 LEU 77 -9.218 -1.858 -9.201 723 1HD2 LEU 77 1HD2 LEU 77 -11.387 0.673 -7.336 724 2HD2 LEU 77 2HD2 LEU 77 -11.235 1.357 -8.972 725 3HD2 LEU 77 3HD2 LEU 77 -11.662 -0.358 -8.761 726 MD1 LEU 77 MD1 LEU 77 -9.324 -1.766 -8.183 727 MD2 LEU 77 MD2 LEU 77 -11.428 0.557 -8.356 728 QB LEU 77 QB LEU 77 -8.438 0.581 -6.878 729 QD LEU 77 QD LEU 77 -10.376 -0.604 -8.270 730 H ARG 78 H ARG 78 -8.257 1.887 -4.900 731 HA ARG 78 HA ARG 78 -10.473 2.543 -3.510 732 1HB ARG 78 1HB ARG 78 -7.521 2.526 -2.856 733 2HB ARG 78 2HB ARG 78 -8.621 3.176 -1.656 734 1HG ARG 78 1HG ARG 78 -8.699 0.381 -2.879 735 2HG ARG 78 2HG ARG 78 -8.300 0.789 -1.222 736 1HD ARG 78 1HD ARG 78 -10.511 0.374 -0.796 737 2HD ARG 78 2HD ARG 78 -10.783 1.975 -1.453 738 HE ARG 78 HE ARG 78 -10.813 0.509 -3.735 739 1HH1 ARG 78 1HH1 ARG 78 -12.384 -0.102 -0.619 740 2HH1 ARG 78 2HH1 ARG 78 -13.705 -0.978 -1.316 741 2HH2 ARG 78 HH2 ARG 78 -13.786 -1.286 -3.691 742 QB ARG 78 QB ARG 78 -8.071 2.851 -2.256 743 QG ARG 78 QG ARG 78 -8.499 0.585 -2.050 744 QD ARG 78 QD ARG 78 -10.647 1.174 -1.125 745 QH1 ARG 78 QH1 ARG 78 -13.044 -0.540 -0.967 746 H LEU 79 H LEU 79 -8.046 4.662 -4.980 747 HA LEU 79 HA LEU 79 -8.384 6.950 -3.470 748 1HB LEU 79 1HB LEU 79 -6.850 6.228 -5.549 749 2HB LEU 79 2HB LEU 79 -8.023 7.209 -6.405 750 HG LEU 79 HG LEU 79 -6.402 8.159 -4.026 751 1HD1 LEU 79 1HD1 LEU 79 -5.847 8.170 -6.957 752 2HD1 LEU 79 2HD1 LEU 79 -5.392 9.606 -6.010 753 3HD1 LEU 79 3HD1 LEU 79 -4.738 8.009 -5.575 754 1HD2 LEU 79 1HD2 LEU 79 -8.437 9.471 -5.807 755 2HD2 LEU 79 2HD2 LEU 79 -8.282 9.510 -4.034 756 3HD2 LEU 79 3HD2 LEU 79 -7.145 10.431 -5.047 757 MD1 LEU 79 MD1 LEU 79 -5.326 8.595 -6.181 758 MD2 LEU 79 MD2 LEU 79 -7.954 9.804 -4.963 759 QB LEU 79 QB LEU 79 -7.436 6.719 -5.977 760 QD LEU 79 QD LEU 79 -6.640 9.199 -5.572 761 H VAL 80 H VAL 80 -10.253 5.728 -6.314 762 HA VAL 80 HA VAL 80 -11.905 7.896 -6.653 763 HB VAL 80 HB VAL 80 -12.190 4.940 -7.090 764 1HG1 VAL 80 1HG1 VAL 80 -14.344 7.001 -7.197 765 2HG1 VAL 80 2HG1 VAL 80 -14.264 5.832 -8.537 766 3HG1 VAL 80 3HG1 VAL 80 -14.439 5.256 -6.862 767 1HG2 VAL 80 1HG2 VAL 80 -11.582 7.366 -8.733 768 2HG2 VAL 80 2HG2 VAL 80 -10.840 5.748 -8.759 769 3HG2 VAL 80 3HG2 VAL 80 -12.431 6.010 -9.513 770 MG1 VAL 80 MG1 VAL 80 -14.349 6.030 -7.532 771 MG2 VAL 80 MG2 VAL 80 -11.618 6.375 -9.002 772 QG VAL 80 QG VAL 80 -12.983 6.202 -8.267 773 H ALA 81 H ALA 81 -12.098 5.183 -4.296 774 HA ALA 81 HA ALA 81 -14.638 5.753 -3.318 775 1HB ALA 81 1HB ALA 81 -12.365 4.074 -2.687 776 2HB ALA 81 2HB ALA 81 -13.034 4.775 -1.194 777 3HB ALA 81 3HB ALA 81 -14.082 3.837 -2.284 778 MB ALA 81 MB ALA 81 -13.160 4.229 -2.055 779 H CYS 82 H CYS 82 -11.682 7.550 -3.146 780 HA CYS 82 HA CYS 82 -12.282 8.815 -0.655 781 1HB CYS 82 1HB CYS 82 -9.958 8.433 -1.852 782 2HB CYS 82 2HB CYS 82 -10.336 9.950 -2.643 783 HG CYS 82 HG CYS 82 -9.404 9.483 0.140 784 QB CYS 82 QB CYS 82 -10.147 9.191 -2.248 785 H ALA 83 H ALA 83 -11.927 10.034 -4.076 786 HA ALA 83 HA ALA 83 -13.101 12.470 -3.722 787 1HB ALA 83 2HB ALA 83 -13.870 11.372 -6.278 788 2HB ALA 83 1HB ALA 83 -12.234 10.807 -5.864 789 3HB ALA 83 3HB ALA 83 -12.589 12.551 -5.906 790 MB ALA 83 MB ALA 83 -12.898 11.577 -6.016 791 H GLN 84 H GLN 84 -14.569 9.279 -3.674 792 HA GLN 84 HA GLN 84 -17.140 10.012 -4.407 793 1HB GLN 84 1HB GLN 84 -16.051 7.765 -2.671 794 2HB GLN 84 2HB GLN 84 -17.760 7.909 -3.032 795 1HG GLN 84 1HG GLN 84 -16.201 8.206 -5.483 796 2HG GLN 84 2HG GLN 84 -15.743 6.727 -4.661 797 2HE2 GLN 84 1HE2 GLN 84 -16.928 6.541 -7.050 798 1HE2 GLN 84 2HE2 GLN 84 -18.548 5.940 -6.932 799 QB GLN 84 QB GLN 84 -16.905 7.837 -2.852 800 QG GLN 84 QG GLN 84 -15.972 7.467 -5.072 801 QE GLN 84 QE GLN 84 -17.738 6.240 -6.991 802 H ASN 85 H ASN 85 -15.277 10.503 -1.460 803 HA ASN 85 HA ASN 85 -17.701 11.175 -0.023 804 1HB ASN 85 1HB ASN 85 -15.656 9.756 0.909 805 2HB ASN 85 2HB ASN 85 -14.884 11.314 1.122 806 2HD2 ASN 85 1HD2 ASN 85 -15.135 10.068 3.341 807 1HD2 ASN 85 2HD2 ASN 85 -16.446 10.610 4.334 808 QB ASN 85 QB ASN 85 -15.270 10.535 1.015 809 QD ASN 85 QD ASN 85 -15.791 10.339 3.837 810 H GLY 86 H GLY 86 -15.953 12.664 -2.277 811 1HA GLY 86 1HA GLY 86 -15.705 14.845 -2.818 812 2HA GLY 86 2HA GLY 86 -16.423 15.303 -1.286 813 QA GLY 86 QA GLY 86 -16.064 15.074 -2.052 814 H LEU 87 H LEU 87 -13.822 13.021 -0.965 815 HA LEU 87 HA LEU 87 -12.225 15.011 0.336 816 1HB LEU 87 1HB LEU 87 -11.923 12.048 -0.130 817 2HB LEU 87 2HB LEU 87 -10.694 13.013 0.665 818 HG LEU 87 HG LEU 87 -13.555 12.821 1.641 819 1HD1 LEU 87 1HD1 LEU 87 -12.483 10.601 1.652 820 2HD1 LEU 87 2HD1 LEU 87 -11.148 11.264 2.625 821 3HD1 LEU 87 3HD1 LEU 87 -12.797 11.215 3.293 822 1HD2 LEU 87 1HD2 LEU 87 -11.544 14.633 2.278 823 2HD2 LEU 87 2HD2 LEU 87 -13.015 14.291 3.221 824 3HD2 LEU 87 3HD2 LEU 87 -11.497 13.442 3.601 825 MD1 LEU 87 MD1 LEU 87 -12.143 11.027 2.523 826 MD2 LEU 87 MD2 LEU 87 -12.019 14.122 3.033 827 QB LEU 87 QB LEU 87 -11.309 12.530 0.268 828 QD LEU 87 QD LEU 87 -12.081 12.574 2.778 829 H GLU 88 H GLU 88 -9.877 15.314 -0.182 830 HA GLU 88 HA GLU 88 -9.500 16.361 -2.595 831 1HB GLU 88 1HB GLU 88 -7.953 16.121 -0.415 832 2HB GLU 88 2HB GLU 88 -7.157 14.902 -1.390 833 1HG GLU 88 1HG GLU 88 -6.169 16.468 -2.712 834 2HG GLU 88 2HG GLU 88 -7.684 17.306 -2.980 835 HE2 GLU 88 HE2 GLU 88 -7.030 19.827 -1.040 836 QB GLU 88 QB GLU 88 -7.555 15.511 -0.903 837 QG GLU 88 QG GLU 88 -6.926 16.887 -2.846 838 H VAL 89 H VAL 89 -7.968 15.631 -4.433 839 HA VAL 89 HA VAL 89 -8.687 12.872 -5.120 840 HB VAL 89 HB VAL 89 -7.837 15.121 -6.949 841 1HG1 VAL 89 1HG1 VAL 89 -7.532 12.869 -7.868 842 2HG1 VAL 89 2HG1 VAL 89 -9.227 12.475 -7.495 843 3HG1 VAL 89 3HG1 VAL 89 -8.849 13.725 -8.705 844 1HG2 VAL 89 1HG2 VAL 89 -10.211 15.015 -5.480 845 2HG2 VAL 89 2HG2 VAL 89 -9.893 15.999 -6.929 846 3HG2 VAL 89 3HG2 VAL 89 -10.654 14.398 -7.090 847 MG1 VAL 89 MG1 VAL 89 -8.536 13.023 -8.023 848 MG2 VAL 89 MG2 VAL 89 -10.253 15.137 -6.499 849 QG VAL 89 QG VAL 89 -9.394 14.080 -7.261 850 H SER 90 H SER 90 -6.232 14.521 -3.683 851 HA SER 90 HA SER 90 -4.136 13.308 -5.255 852 1HB SER 90 1HB SER 90 -4.254 15.379 -3.065 853 2HB SER 90 2HB SER 90 -2.751 14.513 -3.311 854 HG SER 90 HG SER 90 -3.967 16.478 -4.896 855 QB SER 90 QB SER 90 -3.502 14.946 -3.188 856 H LEU 91 H LEU 91 -2.321 12.156 -3.954 857 HA LEU 91 HA LEU 91 -3.428 9.971 -2.629 858 1HB LEU 91 1HB LEU 91 -0.800 10.947 -3.414 859 2HB LEU 91 2HB LEU 91 -0.753 10.085 -1.888 860 HG LEU 91 HG LEU 91 -1.797 9.024 -4.528 861 1HD1 LEU 91 1HD1 LEU 91 0.742 9.276 -4.063 862 2HD1 LEU 91 2HD1 LEU 91 0.509 7.898 -2.960 863 3HD1 LEU 91 3HD1 LEU 91 0.121 7.730 -4.689 864 1HD2 LEU 91 1HD2 LEU 91 -1.951 7.916 -1.740 865 2HD2 LEU 91 2HD2 LEU 91 -3.185 7.952 -3.023 866 3HD2 LEU 91 3HD2 LEU 91 -1.815 6.822 -3.138 867 MD1 LEU 91 MD1 LEU 91 0.457 8.301 -3.904 868 MD2 LEU 91 MD2 LEU 91 -2.317 7.564 -2.634 869 QB LEU 91 QB LEU 91 -0.777 10.516 -2.651 870 QD LEU 91 QD LEU 91 -0.930 7.933 -3.269 871 H SER 92 H SER 92 -2.604 13.188 -1.538 872 HA SER 92 HA SER 92 -2.124 12.535 1.136 873 1HB SER 92 1HB SER 92 -1.602 14.726 -0.138 874 2HB SER 92 2HB SER 92 -3.279 15.162 0.123 875 HG SER 92 HG SER 92 -1.423 14.464 2.237 876 QB SER 92 QB SER 92 -2.440 14.944 -0.008 877 H SER 93 H SER 93 -4.899 12.160 -0.733 878 HA SER 93 HA SER 93 -6.689 12.845 1.437 879 1HB SER 93 1HB SER 93 -6.883 12.937 -1.401 880 2HB SER 93 2HB SER 93 -7.991 11.677 -0.896 881 HG SER 93 HG SER 93 -8.044 14.085 0.612 882 QB SER 93 QB SER 93 -7.437 12.307 -1.148 883 H LEU 94 H LEU 94 -4.864 10.219 0.243 884 HA LEU 94 HA LEU 94 -6.814 8.219 1.050 885 1HB LEU 94 1HB LEU 94 -4.266 8.237 -0.497 886 2HB LEU 94 2HB LEU 94 -4.713 6.763 0.338 887 HG LEU 94 HG LEU 94 -6.200 8.181 -1.874 888 1HD1 LEU 94 1HD1 LEU 94 -4.657 5.655 -1.585 889 2HD1 LEU 94 2HD1 LEU 94 -6.104 5.615 -2.621 890 3HD1 LEU 94 3HD1 LEU 94 -4.795 6.772 -2.963 891 1HD2 LEU 94 1HD2 LEU 94 -7.269 6.352 0.215 892 2HD2 LEU 94 2HD2 LEU 94 -8.068 7.654 -0.698 893 3HD2 LEU 94 3HD2 LEU 94 -7.788 6.072 -1.464 894 MD1 LEU 94 MD1 LEU 94 -5.185 6.014 -2.390 895 MD2 LEU 94 MD2 LEU 94 -7.708 6.693 -0.649 896 QB LEU 94 QB LEU 94 -4.489 7.500 -0.080 897 QD LEU 94 QD LEU 94 -6.447 6.353 -1.519 898 H SER 95 H SER 95 -5.551 6.257 2.284 899 HA SER 95 HA SER 95 -4.452 5.572 4.052 900 1HB SER 95 2HB SER 95 -2.802 7.575 3.392 901 2HB SER 95 1HB SER 95 -2.606 6.679 4.886 902 HG SER 95 HG SER 95 -2.671 9.175 4.907 903 QB SER 95 QB SER 95 -2.704 7.127 4.139 904 H LEU 96 H LEU 96 -7.084 7.378 3.834 905 HA LEU 96 HA LEU 96 -7.415 7.690 6.736 906 1HB LEU 96 2HB LEU 96 -8.504 9.612 6.433 907 2HB LEU 96 1HB LEU 96 -9.348 9.044 5.007 908 HG LEU 96 HG LEU 96 -7.102 9.379 3.770 909 1HD1 LEU 96 1HD1 LEU 96 -8.713 11.738 4.782 910 2HD1 LEU 96 2HD1 LEU 96 -7.601 11.770 3.393 911 3HD1 LEU 96 3HD1 LEU 96 -9.054 10.744 3.345 912 1HD2 LEU 96 1HD2 LEU 96 -6.479 10.486 6.441 913 2HD2 LEU 96 2HD2 LEU 96 -5.407 9.818 5.187 914 3HD2 LEU 96 3HD2 LEU 96 -5.999 11.492 5.053 915 MD1 LEU 96 MD1 LEU 96 -8.456 11.417 3.840 916 MD2 LEU 96 MD2 LEU 96 -5.961 10.598 5.560 917 QB LEU 96 QB LEU 96 -8.926 9.328 5.720 918 QD LEU 96 QD LEU 96 -7.209 11.008 4.700 919 H ALA 97 H ALA 97 -10.219 7.824 6.805 920 HA ALA 97 HA ALA 97 -10.838 5.045 6.135 921 1HB ALA 97 2HB ALA 97 -12.488 6.862 7.900 922 2HB ALA 97 1HB ALA 97 -10.994 6.114 8.515 923 3HB ALA 97 3HB ALA 97 -12.333 5.089 7.943 924 MB ALA 97 MB ALA 97 -11.938 6.021 8.120 925 H VAL 98 H VAL 98 -10.874 6.140 3.805 926 HA VAL 98 HA VAL 98 -13.103 7.756 3.193 927 HB VAL 98 HB VAL 98 -12.488 7.366 0.914 928 1HG1 VAL 98 1HG1 VAL 98 -10.273 7.758 2.901 929 2HG1 VAL 98 2HG1 VAL 98 -9.878 7.655 1.168 930 3HG1 VAL 98 3HG1 VAL 98 -10.995 8.912 1.753 931 1HG2 VAL 98 1HG2 VAL 98 -12.186 4.854 1.229 932 2HG2 VAL 98 2HG2 VAL 98 -11.035 5.661 0.137 933 3HG2 VAL 98 3HG2 VAL 98 -10.537 5.223 1.789 934 MG1 VAL 98 MG1 VAL 98 -10.382 8.108 1.940 935 MG2 VAL 98 MG2 VAL 98 -11.253 5.246 1.052 936 QG VAL 98 QG VAL 98 -10.817 6.677 1.496 937 HA PRO 99 HA PRO 99 -16.223 4.785 2.876 938 1HB PRO 99 1HB PRO 99 -17.894 5.901 1.024 939 2HB PRO 99 2HB PRO 99 -17.857 6.399 2.703 940 1HG PRO 99 1HG PRO 99 -16.764 7.788 0.334 941 2HG PRO 99 2HG PRO 99 -17.116 8.439 1.922 942 1HD PRO 99 1HD PRO 99 -14.530 7.774 0.874 943 2HD PRO 99 2HD PRO 99 -14.894 8.315 2.501 944 QB PRO 99 QB PRO 99 -17.875 6.150 1.863 945 QG PRO 99 QG PRO 99 -16.940 8.113 1.128 946 QD PRO 99 QD PRO 99 -14.712 8.045 1.687 947 HA PRO 100 HA PRO 100 -15.797 2.078 -0.369 948 1HB PRO 100 1HB PRO 100 -18.270 0.991 -0.782 949 2HB PRO 100 2HB PRO 100 -17.212 0.497 0.525 950 1HG PRO 100 1HG PRO 100 -19.637 2.183 0.639 951 2HG PRO 100 2HG PRO 100 -18.825 1.339 1.942 952 1HD PRO 100 1HD PRO 100 -18.706 4.150 1.381 953 2HD PRO 100 2HD PRO 100 -17.803 3.287 2.611 954 QB PRO 100 QB PRO 100 -17.741 0.744 -0.129 955 QG PRO 100 QG PRO 100 -19.231 1.761 1.291 956 QD PRO 100 QD PRO 100 -18.254 3.718 1.996 957 HA PRO 101 HA PRO 101 -16.577 3.981 -4.085 958 1HB PRO 101 1HB PRO 101 -15.646 2.104 -5.840 959 2HB PRO 101 2HB PRO 101 -14.601 3.232 -5.000 960 1HG PRO 101 2HG PRO 101 -13.698 1.383 -3.959 961 2HG PRO 101 1HG PRO 101 -15.014 0.351 -4.482 962 1HD PRO 101 1HD PRO 101 -15.895 0.462 -2.362 963 2HD PRO 101 2HD PRO 101 -14.643 1.586 -1.873 964 QB PRO 101 QB PRO 101 -15.124 2.668 -5.420 965 QG PRO 101 QG PRO 101 -14.356 0.867 -4.221 966 QD PRO 101 QD PRO 101 -15.269 1.024 -2.118 967 H ARG 102 H ARG 102 -17.267 2.942 -6.563 968 HA ARG 102 HA ARG 102 -19.976 2.200 -5.870 969 1HB ARG 102 1HB ARG 102 -19.052 4.109 -7.609 970 2HB ARG 102 2HB ARG 102 -19.223 2.766 -8.721 971 1HG ARG 102 1HG ARG 102 -21.547 2.639 -8.447 972 2HG ARG 102 2HG ARG 102 -21.503 3.298 -6.823 973 1HD ARG 102 1HD ARG 102 -20.537 5.172 -8.932 974 2HD ARG 102 2HD ARG 102 -22.226 4.730 -9.079 975 HE ARG 102 HE ARG 102 -21.653 5.370 -6.335 976 1HH1 ARG 102 1HH1 ARG 102 -22.053 6.939 -9.487 977 2HH1 ARG 102 2HH1 ARG 102 -22.566 8.448 -8.809 978 2HH2 ARG 102 HH2 ARG 102 -22.722 8.674 -6.428 979 QB ARG 102 QB ARG 102 -19.137 3.437 -8.165 980 QG ARG 102 QG ARG 102 -21.525 2.969 -7.635 981 QD ARG 102 QD ARG 102 -21.381 4.951 -9.005 982 QH1 ARG 102 QH1 ARG 102 -22.310 7.693 -9.148 983 H PHE 103 H PHE 103 -17.025 1.095 -7.515 984 HA PHE 103 HA PHE 103 -17.786 -0.789 -9.225 985 1HB PHE 103 2HB PHE 103 -15.696 -1.924 -8.559 986 2HB PHE 103 1HB PHE 103 -15.825 -1.313 -6.921 987 HD1 PHE 103 HD1 PHE 103 -15.708 0.092 -10.387 988 HD2 PHE 103 HD2 PHE 103 -14.383 0.387 -6.367 989 HE1 PHE 103 HE1 PHE 103 -14.268 2.053 -11.006 990 HE2 PHE 103 HE2 PHE 103 -12.943 2.347 -6.985 991 HZ PHE 103 HZ PHE 103 -12.903 3.157 -9.297 992 QB PHE 103 QB PHE 103 -15.760 -1.619 -7.740 993 QD PHE 103 QD PHE 103 -15.046 0.239 -8.377 994 QE PHE 103 QE PHE 103 -13.605 2.200 -8.995 995 QR PHE 103 QR PHE 103 -14.325 1.220 -8.686 996 H HIS 104 H HIS 104 -17.973 -3.216 -9.048 997 HA HIS 104 HA HIS 104 -20.075 -3.848 -7.303 998 1HB HIS 104 1HB HIS 104 -18.497 -5.198 -9.408 999 2HB HIS 104 2HB HIS 104 -19.173 -6.268 -8.196 1000 HD1 HIS 104 HD1 HIS 104 -21.846 -6.229 -7.927 1001 HD2 HIS 104 HD2 HIS 104 -20.312 -4.189 -11.256 1002 HE1 HIS 104 HE1 HIS 104 -23.815 -5.856 -9.507 1003 QB HIS 104 QB HIS 104 -18.835 -5.733 -8.802 1004 H ASP 105 H ASP 105 -19.986 -5.862 -5.814 1005 HA ASP 105 HA ASP 105 -19.277 -6.753 -3.970 1006 1HB ASP 105 1HB ASP 105 -17.585 -7.983 -5.022 1007 2HB ASP 105 2HB ASP 105 -16.737 -6.551 -5.571 1008 HD2 ASP 105 HD2 ASP 105 -14.763 -7.276 -4.709 1009 QB ASP 105 QB ASP 105 -17.161 -7.267 -5.296 No H/Q in entry = 1009 Start of MODEL 19 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.663 0.791 -1.873 3 1HB LEU 7 1HB LEU 7 3.985 -0.460 -0.401 4 2HB LEU 7 2HB LEU 7 4.063 0.364 -1.945 5 HG LEU 7 HG LEU 7 3.243 1.666 0.666 6 1HD1 LEU 7 1HD1 LEU 7 5.714 0.823 0.260 7 2HD1 LEU 7 2HD1 LEU 7 5.812 2.305 -0.721 8 3HD1 LEU 7 3HD1 LEU 7 5.380 2.406 1.003 9 1HD2 LEU 7 1HD2 LEU 7 2.295 2.639 -1.459 10 2HD2 LEU 7 2HD2 LEU 7 3.281 3.747 -0.475 11 3HD2 LEU 7 3HD2 LEU 7 3.966 3.012 -1.944 12 MD1 LEU 7 MD1 LEU 7 5.635 1.845 0.180 13 MD2 LEU 7 MD2 LEU 7 3.180 3.133 -1.293 14 QB LEU 7 QB LEU 7 4.024 -0.048 -1.173 15 QD LEU 7 QD LEU 7 4.408 2.489 -0.556 16 H SER 8 H SER 8 3.063 -0.738 -3.524 17 HA SER 8 HA SER 8 2.424 -3.488 -3.182 18 1HB SER 8 1HB SER 8 1.264 -2.982 -5.713 19 2HB SER 8 2HB SER 8 0.442 -3.514 -4.260 20 HG SER 8 HG SER 8 -0.136 -1.417 -3.754 21 QB SER 8 QB SER 8 0.853 -3.248 -4.987 22 H LEU 9 H LEU 9 2.897 -4.582 -5.585 23 HA LEU 9 HA LEU 9 5.589 -3.792 -6.124 24 1HB LEU 9 1HB LEU 9 3.836 -5.890 -7.410 25 2HB LEU 9 2HB LEU 9 5.560 -5.705 -7.661 26 HG LEU 9 HG LEU 9 4.078 -6.795 -5.311 27 1HD1 LEU 9 1HD1 LEU 9 6.078 -7.669 -7.237 28 2HD1 LEU 9 2HD1 LEU 9 6.557 -8.023 -5.559 29 3HD1 LEU 9 3HD1 LEU 9 5.002 -8.621 -6.186 30 1HD2 LEU 9 1HD2 LEU 9 5.337 -4.870 -4.388 31 2HD2 LEU 9 2HD2 LEU 9 5.910 -6.443 -3.783 32 3HD2 LEU 9 3HD2 LEU 9 6.838 -5.578 -5.031 33 MD1 LEU 9 MD1 LEU 9 5.879 -8.104 -6.327 34 MD2 LEU 9 MD2 LEU 9 6.028 -5.630 -4.401 35 QB LEU 9 QB LEU 9 4.698 -5.797 -7.536 36 QD LEU 9 QD LEU 9 5.954 -6.867 -5.364 37 H THR 10 H THR 10 2.379 -3.385 -7.623 38 HA THR 10 HA THR 10 3.202 -2.618 -10.168 39 HB THR 10 HB THR 10 0.799 -2.063 -8.384 40 HG1 THR 10 HG1 THR 10 1.311 -4.154 -9.521 41 1HG2 THR 10 1HG2 THR 10 1.576 -0.477 -10.676 42 2HG2 THR 10 2HG2 THR 10 0.236 -1.542 -11.165 43 3HG2 THR 10 3HG2 THR 10 0.034 -0.434 -9.788 44 MG THR 10 MG THR 10 0.615 -0.818 -10.543 45 H GLN 11 H GLN 11 2.280 -0.402 -7.441 46 HA GLN 11 HA GLN 11 3.175 1.853 -8.729 47 1HB GLN 11 1HB GLN 11 2.185 1.122 -6.105 48 2HB GLN 11 2HB GLN 11 3.531 2.228 -5.914 49 1HG GLN 11 1HG GLN 11 1.811 3.122 -8.099 50 2HG GLN 11 2HG GLN 11 0.856 2.872 -6.651 51 2HE2 GLN 11 1HE2 GLN 11 3.778 4.407 -7.914 52 1HE2 GLN 11 2HE2 GLN 11 3.833 5.743 -6.813 53 QB GLN 11 QB GLN 11 2.858 1.675 -6.010 54 QG GLN 11 QG GLN 11 1.333 2.997 -7.375 55 QE GLN 11 QE GLN 11 3.806 5.075 -7.364 56 H LEU 12 H LEU 12 4.916 -0.651 -6.922 57 HA LEU 12 HA LEU 12 7.196 0.698 -6.208 58 1HB LEU 12 1HB LEU 12 6.289 -1.860 -6.080 59 2HB LEU 12 2HB LEU 12 7.561 -2.028 -7.273 60 HG LEU 12 HG LEU 12 8.179 -2.463 -4.847 61 1HD1 LEU 12 1HD1 LEU 12 9.650 -0.794 -6.813 62 2HD1 LEU 12 2HD1 LEU 12 10.310 -0.857 -5.161 63 3HD1 LEU 12 3HD1 LEU 12 10.071 -2.362 -6.082 64 1HD2 LEU 12 1HD2 LEU 12 6.950 -0.077 -4.346 65 2HD2 LEU 12 2HD2 LEU 12 8.111 -0.881 -3.261 66 3HD2 LEU 12 3HD2 LEU 12 8.665 0.400 -4.365 67 MD1 LEU 12 MD1 LEU 12 10.010 -1.338 -6.018 68 MD2 LEU 12 MD2 LEU 12 7.909 -0.186 -3.991 69 QB LEU 12 QB LEU 12 6.925 -1.944 -6.677 70 QD LEU 12 QD LEU 12 8.960 -0.762 -5.004 71 H SER 13 H SER 13 5.941 -0.009 -9.384 72 HA SER 13 HA SER 13 8.254 1.295 -10.483 73 1HB SER 13 1HB SER 13 8.394 -1.388 -10.513 74 2HB SER 13 2HB SER 13 7.364 -1.200 -11.918 75 HG SER 13 HG SER 13 9.269 0.608 -12.281 76 QB SER 13 QB SER 13 7.879 -1.294 -11.215 77 H SER 14 H SER 14 5.701 2.350 -10.096 78 HA SER 14 HA SER 14 3.854 3.056 -11.059 79 1HB SER 14 1HB SER 14 6.169 3.900 -12.523 80 2HB SER 14 2HB SER 14 4.896 3.638 -13.698 81 HG SER 14 HG SER 14 3.698 5.259 -12.853 82 QB SER 14 QB SER 14 5.533 3.769 -13.110 83 H GLY 15 H GLY 15 4.317 0.127 -11.381 84 1HA GLY 15 1HA GLY 15 2.922 -1.453 -12.305 85 2HA GLY 15 2HA GLY 15 2.408 -0.314 -13.533 86 QA GLY 15 QA GLY 15 2.665 -0.884 -12.919 87 H ASN 16 H ASN 16 5.577 -1.755 -12.453 88 HA ASN 16 HA ASN 16 5.951 -2.556 -15.224 89 1HB ASN 16 1HB ASN 16 7.326 -0.439 -14.246 90 2HB ASN 16 2HB ASN 16 8.344 -1.701 -13.582 91 2HD2 ASN 16 1HD2 ASN 16 9.708 -0.305 -15.159 92 1HD2 ASN 16 2HD2 ASN 16 9.913 -0.947 -16.754 93 QB ASN 16 QB ASN 16 7.835 -1.070 -13.914 94 QD ASN 16 QD ASN 16 9.811 -0.626 -15.957 95 HA PRO 17 HA PRO 17 6.717 -6.147 -12.673 96 1HB PRO 17 1HB PRO 17 6.216 -8.025 -14.594 97 2HB PRO 17 2HB PRO 17 4.969 -7.354 -13.562 98 1HG PRO 17 1HG PRO 17 5.525 -6.782 -16.408 99 2HG PRO 17 2HG PRO 17 4.067 -6.465 -15.489 100 1HD PRO 17 1HD PRO 17 6.062 -4.552 -16.256 101 2HD PRO 17 2HD PRO 17 4.664 -4.259 -15.240 102 QB PRO 17 QB PRO 17 5.593 -7.689 -14.078 103 QG PRO 17 QG PRO 17 4.796 -6.624 -15.949 104 QD PRO 17 QD PRO 17 5.363 -4.406 -15.748 105 H VAL 18 H VAL 18 8.445 -4.726 -15.038 106 HA VAL 18 HA VAL 18 10.232 -6.599 -15.893 107 HB VAL 18 HB VAL 18 10.077 -4.247 -16.610 108 1HG1 VAL 18 1HG1 VAL 18 9.894 -3.283 -14.300 109 2HG1 VAL 18 2HG1 VAL 18 11.638 -3.576 -14.096 110 3HG1 VAL 18 3HG1 VAL 18 11.065 -2.452 -15.351 111 1HG2 VAL 18 1HG2 VAL 18 12.417 -5.836 -16.304 112 2HG2 VAL 18 2HG2 VAL 18 12.077 -4.592 -17.531 113 3HG2 VAL 18 3HG2 VAL 18 12.881 -4.144 -16.007 114 MG1 VAL 18 MG1 VAL 18 10.866 -3.104 -14.582 115 MG2 VAL 18 MG2 VAL 18 12.458 -4.857 -16.614 116 QG VAL 18 QG VAL 18 11.662 -3.980 -15.598 117 H TYR 19 H TYR 19 9.789 -5.248 -12.659 118 HA TYR 19 HA TYR 19 12.339 -5.887 -11.650 119 1HB TYR 19 1HB TYR 19 9.500 -5.376 -10.647 120 2HB TYR 19 2HB TYR 19 10.693 -5.931 -9.489 121 HD1 TYR 19 HD1 TYR 19 10.751 -3.432 -12.300 122 HD2 TYR 19 HD2 TYR 19 11.459 -4.206 -8.152 123 HE1 TYR 19 HE1 TYR 19 11.567 -1.045 -11.987 124 HE2 TYR 19 HE2 TYR 19 12.273 -1.815 -7.853 125 HH TYR 19 HH TYR 19 12.760 0.052 -8.825 126 QB TYR 19 QB TYR 19 10.096 -5.654 -10.068 127 QD TYR 19 QD TYR 19 11.105 -3.819 -10.226 128 QE TYR 19 QE TYR 19 11.920 -1.430 -9.920 129 QR TYR 19 QR TYR 19 11.512 -2.625 -10.073 130 H GLU 20 H GLU 20 9.246 -7.703 -11.929 131 HA GLU 20 HA GLU 20 9.862 -9.770 -10.254 132 1HB GLU 20 1HB GLU 20 7.989 -9.269 -12.474 133 2HB GLU 20 2HB GLU 20 8.424 -10.961 -12.340 134 1HG GLU 20 1HG GLU 20 7.875 -9.698 -9.717 135 2HG GLU 20 2HG GLU 20 6.498 -9.652 -10.800 136 HE2 GLU 20 HE2 GLU 20 6.852 -12.201 -8.525 137 QB GLU 20 QB GLU 20 8.207 -10.115 -12.407 138 QG GLU 20 QG GLU 20 7.187 -9.675 -10.258 139 H LYS 21 H LYS 21 10.799 -9.204 -13.678 140 HA LYS 21 HA LYS 21 11.799 -11.699 -14.272 141 1HB LYS 21 1HB LYS 21 12.162 -10.656 -16.199 142 2HB LYS 21 2HB LYS 21 11.740 -9.133 -15.444 143 1HG LYS 21 1HG LYS 21 14.062 -8.732 -14.785 144 2HG LYS 21 2HG LYS 21 14.537 -10.343 -15.284 145 1HD LYS 21 1HD LYS 21 13.866 -9.761 -17.655 146 2HD LYS 21 2HD LYS 21 13.514 -8.129 -17.124 147 1HE LYS 21 1HE LYS 21 15.799 -7.647 -16.654 148 2HE LYS 21 2HE LYS 21 16.237 -9.341 -16.554 149 QB LYS 21 QB LYS 21 11.951 -9.894 -15.821 150 QD LYS 21 QD LYS 21 13.690 -8.945 -17.389 151 QG LYS 21 QG LYS 21 14.300 -9.537 -15.034 152 QE LYS 21 QE LYS 21 16.018 -8.494 -16.604 153 QZ LYS 21 QZ LYS 21 15.963 -9.067 -18.926 154 H TYR 22 H TYR 22 13.353 -8.925 -12.564 155 HA TYR 22 HA TYR 22 15.834 -10.299 -12.281 156 1HB TYR 22 1HB TYR 22 14.441 -7.888 -10.966 157 2HB TYR 22 2HB TYR 22 16.106 -8.306 -10.613 158 HD1 TYR 22 HD1 TYR 22 17.664 -8.556 -12.773 159 HD2 TYR 22 HD2 TYR 22 14.024 -6.314 -12.624 160 HE1 TYR 22 HE1 TYR 22 18.427 -7.173 -14.765 161 HE2 TYR 22 HE2 TYR 22 14.798 -4.938 -14.617 162 HH TYR 22 HH TYR 22 17.779 -5.749 -16.318 163 QB TYR 22 QB TYR 22 15.273 -8.097 -10.790 164 QD TYR 22 QD TYR 22 15.844 -7.435 -12.699 165 QE TYR 22 QE TYR 22 16.613 -6.055 -14.691 166 QR TYR 22 QR TYR 22 16.228 -6.745 -13.695 167 H TYR 23 H TYR 23 12.966 -9.672 -10.173 168 HA TYR 23 HA TYR 23 13.982 -10.648 -7.808 169 1HB TYR 23 1HB TYR 23 11.792 -9.507 -8.087 170 2HB TYR 23 2HB TYR 23 11.239 -10.743 -9.198 171 HD1 TYR 23 HD1 TYR 23 12.691 -10.734 -5.726 172 HD2 TYR 23 HD2 TYR 23 9.568 -12.079 -8.323 173 HE1 TYR 23 HE1 TYR 23 11.621 -11.998 -3.797 174 HE2 TYR 23 HE2 TYR 23 8.509 -13.338 -6.385 175 HH TYR 23 HH TYR 23 9.945 -14.247 -3.829 176 QB TYR 23 QB TYR 23 11.516 -10.125 -8.643 177 QD TYR 23 QD TYR 23 11.129 -11.406 -7.025 178 QE TYR 23 QE TYR 23 10.065 -12.668 -5.091 179 QR TYR 23 QR TYR 23 10.597 -12.037 -6.058 180 H ARG 24 H ARG 24 13.020 -12.372 -10.743 181 HA ARG 24 HA ARG 24 12.903 -14.856 -9.310 182 1HB ARG 24 1HB ARG 24 11.370 -14.211 -11.288 183 2HB ARG 24 2HB ARG 24 12.762 -14.423 -12.332 184 1HG ARG 24 1HG ARG 24 12.209 -16.624 -12.444 185 2HG ARG 24 2HG ARG 24 12.773 -16.765 -10.790 186 1HD ARG 24 2HD ARG 24 10.469 -16.191 -9.966 187 2HD ARG 24 1HD ARG 24 10.492 -17.655 -10.928 188 HE ARG 24 HE ARG 24 9.188 -15.136 -11.624 189 1HH1 ARG 24 1HH1 ARG 24 10.613 -18.088 -12.970 190 2HH1 ARG 24 2HH1 ARG 24 9.705 -18.003 -14.443 191 2HH2 ARG 24 HH2 ARG 24 8.170 -16.192 -14.772 192 QB ARG 24 QB ARG 24 12.066 -14.317 -11.810 193 QG ARG 24 QG ARG 24 12.491 -16.694 -11.617 194 QD ARG 24 QD ARG 24 10.481 -16.923 -10.447 195 QH1 ARG 24 QH1 ARG 24 10.159 -18.045 -13.707 196 H GLN 25 H GLN 25 15.156 -12.876 -11.121 197 HA GLN 25 HA GLN 25 16.796 -14.868 -12.132 198 1HB GLN 25 1HB GLN 25 16.954 -11.943 -11.649 199 2HB GLN 25 2HB GLN 25 18.511 -12.748 -11.646 200 1HG GLN 25 1HG GLN 25 16.912 -13.787 -13.840 201 2HG GLN 25 2HG GLN 25 16.909 -12.036 -13.911 202 2HE2 GLN 25 1HE2 GLN 25 19.261 -11.218 -13.066 203 1HE2 GLN 25 2HE2 GLN 25 20.576 -11.831 -14.012 204 QB GLN 25 QB GLN 25 17.733 -12.346 -11.647 205 QG GLN 25 QG GLN 25 16.910 -12.912 -13.875 206 QE GLN 25 QE GLN 25 19.918 -11.525 -13.539 207 H VAL 26 H VAL 26 16.705 -13.175 -8.954 208 HA VAL 26 HA VAL 26 19.091 -14.443 -8.032 209 HB VAL 26 HB VAL 26 18.844 -13.150 -6.172 210 1HG1 VAL 26 1HG1 VAL 26 18.604 -11.821 -8.395 211 2HG1 VAL 26 2HG1 VAL 26 16.929 -11.545 -7.860 212 3HG1 VAL 26 3HG1 VAL 26 18.288 -10.989 -6.853 213 1HG2 VAL 26 1HG2 VAL 26 15.827 -13.269 -6.504 214 2HG2 VAL 26 2HG2 VAL 26 16.801 -14.194 -5.336 215 3HG2 VAL 26 3HG2 VAL 26 16.694 -12.422 -5.200 216 MG1 VAL 26 MG1 VAL 26 17.941 -11.452 -7.703 217 MG2 VAL 26 MG2 VAL 26 16.441 -13.295 -5.680 218 QG VAL 26 QG VAL 26 17.191 -12.373 -6.691 219 H GLU 27 H GLU 27 15.534 -14.906 -7.603 220 HA GLU 27 HA GLU 27 15.488 -16.759 -5.690 221 1HB GLU 27 1HB GLU 27 13.459 -15.924 -6.748 222 2HB GLU 27 2HB GLU 27 13.877 -16.676 -8.275 223 1HG GLU 27 1HG GLU 27 13.898 -18.924 -6.894 224 2HG GLU 27 2HG GLU 27 12.999 -18.015 -5.696 225 HE2 GLU 27 HE2 GLU 27 12.718 -18.324 -9.281 226 QB GLU 27 QB GLU 27 13.668 -16.300 -7.511 227 QG GLU 27 QG GLU 27 13.449 -18.469 -6.295 228 H ALA 28 H ALA 28 16.638 -18.607 -5.354 229 HA ALA 28 HA ALA 28 18.213 -19.819 -7.265 230 1HB ALA 28 3HB ALA 28 18.903 -20.593 -5.259 231 2HB ALA 28 2HB ALA 28 17.615 -21.812 -5.412 232 3HB ALA 28 1HB ALA 28 17.313 -20.306 -4.513 233 MB ALA 28 MB ALA 28 17.944 -20.904 -5.061 234 H GLY 29 H GLY 29 18.011 -21.927 -8.337 235 1HA GLY 29 1HA GLY 29 15.490 -22.210 -9.634 236 2HA GLY 29 2HA GLY 29 16.910 -23.219 -9.826 237 QA GLY 29 QA GLY 29 16.200 -22.714 -9.730 238 H ASN 30 H ASN 30 13.930 -23.849 -9.444 239 HA ASN 30 HA ASN 30 12.675 -25.288 -8.416 240 1HB ASN 30 1HB ASN 30 14.473 -26.887 -9.078 241 2HB ASN 30 2HB ASN 30 15.352 -26.539 -7.602 242 2HD2 ASN 30 1HD2 ASN 30 13.042 -28.463 -9.100 243 1HD2 ASN 30 2HD2 ASN 30 12.405 -29.304 -7.726 244 QB ASN 30 QB ASN 30 14.913 -26.713 -8.340 245 QD ASN 30 QD ASN 30 12.723 -28.884 -8.413 246 H THR 31 H THR 31 12.206 -23.382 -6.873 247 HA THR 31 HA THR 31 12.564 -24.270 -4.154 248 HB THR 31 HB THR 31 13.537 -21.966 -3.526 249 HG1 THR 31 HG1 THR 31 13.763 -22.127 -6.443 250 1HG2 THR 31 1HG2 THR 31 14.936 -24.189 -4.009 251 2HG2 THR 31 2HG2 THR 31 15.425 -23.313 -5.479 252 3HG2 THR 31 3HG2 THR 31 15.779 -22.627 -3.876 253 MG THR 31 MG THR 31 15.380 -23.376 -4.455 254 H GLY 32 H GLY 32 11.373 -21.813 -6.490 255 1HA GLY 32 1HA GLY 32 9.253 -21.014 -6.685 256 2HA GLY 32 2HA GLY 32 8.761 -21.944 -5.283 257 QA GLY 32 QA GLY 32 9.007 -21.479 -5.984 258 H ARG 33 H ARG 33 11.441 -20.566 -4.061 259 HA ARG 33 HA ARG 33 10.181 -18.005 -3.558 260 1HB ARG 33 2HB ARG 33 9.590 -19.458 -1.643 261 2HB ARG 33 1HB ARG 33 10.705 -18.210 -1.124 262 1HG ARG 33 1HG ARG 33 12.245 -20.481 -2.055 263 2HG ARG 33 2HG ARG 33 12.216 -19.764 -0.457 264 1HD ARG 33 1HD ARG 33 9.766 -21.159 -0.615 265 2HD ARG 33 2HD ARG 33 10.906 -22.220 -1.417 266 HE ARG 33 HE ARG 33 11.925 -21.130 1.106 267 1HH1 ARG 33 1HH1 ARG 33 10.045 -23.750 -0.363 268 2HH1 ARG 33 2HH1 ARG 33 10.310 -24.845 0.952 269 2HH2 ARG 33 HH2 ARG 33 11.624 -24.133 2.825 270 QB ARG 33 QB ARG 33 10.147 -18.834 -1.384 271 QG ARG 33 QG ARG 33 12.230 -20.123 -1.256 272 QD ARG 33 QD ARG 33 10.336 -21.690 -1.016 273 QH1 ARG 33 QH1 ARG 33 10.178 -24.298 0.294 274 H VAL 34 H VAL 34 11.773 -16.377 -2.630 275 HA VAL 34 HA VAL 34 14.335 -16.759 -3.895 276 HB VAL 34 HB VAL 34 13.192 -14.420 -2.355 277 1HG1 VAL 34 1HG1 VAL 34 15.771 -14.912 -3.709 278 2HG1 VAL 34 2HG1 VAL 34 14.974 -13.383 -4.150 279 3HG1 VAL 34 3HG1 VAL 34 15.341 -13.736 -2.445 280 1HG2 VAL 34 1HG2 VAL 34 12.604 -15.455 -5.009 281 2HG2 VAL 34 2HG2 VAL 34 11.817 -14.145 -4.096 282 3HG2 VAL 34 3HG2 VAL 34 13.257 -13.800 -5.084 283 MG1 VAL 34 MG1 VAL 34 15.362 -14.010 -3.435 284 MG2 VAL 34 MG2 VAL 34 12.559 -14.467 -4.729 285 QG VAL 34 QG VAL 34 13.961 -14.238 -4.082 286 H LEU 35 H LEU 35 15.807 -17.993 -2.826 287 HA LEU 35 HA LEU 35 15.772 -18.512 -0.119 288 1HB LEU 35 1HB LEU 35 17.459 -19.031 -2.397 289 2HB LEU 35 2HB LEU 35 18.444 -18.671 -0.993 290 HG LEU 35 HG LEU 35 16.236 -20.742 -0.980 291 1HD1 LEU 35 1HD1 LEU 35 18.888 -20.867 -2.172 292 2HD1 LEU 35 2HD1 LEU 35 18.660 -22.098 -0.907 293 3HD1 LEU 35 3HD1 LEU 35 17.527 -22.008 -2.276 294 1HD2 LEU 35 1HD2 LEU 35 17.003 -19.735 1.205 295 2HD2 LEU 35 2HD2 LEU 35 17.156 -21.503 1.069 296 3HD2 LEU 35 3HD2 LEU 35 18.594 -20.470 0.893 297 MD1 LEU 35 MD1 LEU 35 18.358 -21.658 -1.785 298 MD2 LEU 35 MD2 LEU 35 17.584 -20.569 1.056 299 QB LEU 35 QB LEU 35 17.952 -18.851 -1.695 300 QD LEU 35 QD LEU 35 17.971 -21.114 -0.365 301 H ALA 36 H ALA 36 16.611 -15.605 -1.798 302 HA ALA 36 HA ALA 36 17.040 -13.598 -0.879 303 1HB ALA 36 3HB ALA 36 17.197 -13.258 1.430 304 2HB ALA 36 1HB ALA 36 16.240 -14.756 1.336 305 3HB ALA 36 2HB ALA 36 17.978 -14.833 1.711 306 MB ALA 36 MB ALA 36 17.138 -14.282 1.492 307 H LEU 37 H LEU 37 19.290 -16.267 0.093 308 HA LEU 37 HA LEU 37 21.623 -14.927 0.242 309 1HB LEU 37 1HB LEU 37 20.886 -17.651 -0.747 310 2HB LEU 37 2HB LEU 37 22.546 -17.111 -0.894 311 HG LEU 37 HG LEU 37 22.087 -18.472 1.135 312 1HD1 LEU 37 1HD1 LEU 37 23.854 -16.542 0.866 313 2HD1 LEU 37 2HD1 LEU 37 22.866 -15.754 2.119 314 3HD1 LEU 37 3HD1 LEU 37 23.603 -17.343 2.435 315 1HD2 LEU 37 1HD2 LEU 37 19.801 -17.648 1.566 316 2HD2 LEU 37 2HD2 LEU 37 20.849 -17.549 3.001 317 3HD2 LEU 37 3HD2 LEU 37 20.478 -16.080 2.067 318 MD1 LEU 37 MD1 LEU 37 23.441 -16.546 1.807 319 MD2 LEU 37 MD2 LEU 37 20.376 -17.092 2.211 320 QB LEU 37 QB LEU 37 21.716 -17.381 -0.821 321 QD LEU 37 QD LEU 37 21.908 -16.819 2.009 322 H ASP 38 H ASP 38 19.894 -15.936 -2.757 323 HA ASP 38 HA ASP 38 21.946 -15.002 -4.432 324 1HB ASP 38 1HB ASP 38 19.601 -16.500 -4.715 325 2HB ASP 38 2HB ASP 38 19.201 -15.012 -5.552 326 HD2 ASP 38 HD2 ASP 38 21.850 -14.646 -6.886 327 QB ASP 38 QB ASP 38 19.401 -15.756 -5.134 328 H ALA 39 H ALA 39 18.896 -13.695 -3.040 329 HA ALA 39 HA ALA 39 18.589 -11.443 -4.608 330 1HB ALA 39 3HB ALA 39 16.981 -10.883 -3.066 331 2HB ALA 39 2HB ALA 39 18.025 -11.264 -1.676 332 3HB ALA 39 1HB ALA 39 17.230 -12.576 -2.579 333 MB ALA 39 MB ALA 39 17.412 -11.574 -2.440 334 H ALA 40 H ALA 40 20.574 -11.975 -1.631 335 HA ALA 40 HA ALA 40 21.463 -9.319 -1.445 336 1HB ALA 40 2HB ALA 40 23.337 -11.343 -0.462 337 2HB ALA 40 3HB ALA 40 22.403 -10.125 0.439 338 3HB ALA 40 1HB ALA 40 21.660 -11.689 0.023 339 MB ALA 40 MB ALA 40 22.467 -11.052 0.000 340 H ALA 41 H ALA 41 22.419 -12.101 -3.427 341 HA ALA 41 HA ALA 41 24.977 -11.094 -4.116 342 1HB ALA 41 1HB ALA 41 23.824 -13.501 -4.283 343 2HB ALA 41 3HB ALA 41 25.130 -13.013 -5.389 344 3HB ALA 41 2HB ALA 41 23.434 -12.927 -5.922 345 MB ALA 41 MB ALA 41 24.130 -13.147 -5.198 346 H PHE 42 H PHE 42 21.781 -11.196 -5.848 347 HA PHE 42 HA PHE 42 22.597 -9.779 -8.069 348 1HB PHE 42 1HB PHE 42 20.440 -11.002 -7.825 349 2HB PHE 42 2HB PHE 42 19.955 -9.955 -6.506 350 HD1 PHE 42 HD1 PHE 42 21.201 -9.417 -9.995 351 HD2 PHE 42 HD2 PHE 42 18.255 -8.524 -7.074 352 HE1 PHE 42 HE1 PHE 42 20.046 -7.897 -11.624 353 HE2 PHE 42 HE2 PHE 42 17.099 -7.004 -8.704 354 HZ PHE 42 HZ PHE 42 18.009 -6.709 -10.960 355 QB PHE 42 QB PHE 42 20.198 -10.478 -7.166 356 QD PHE 42 QD PHE 42 19.728 -8.971 -8.535 357 QE PHE 42 QE PHE 42 18.573 -7.451 -10.164 358 QR PHE 42 QR PHE 42 19.150 -8.211 -9.349 359 H LEU 43 H LEU 43 21.627 -8.660 -4.816 360 HA LEU 43 HA LEU 43 21.273 -5.957 -5.565 361 1HB LEU 43 1HB LEU 43 21.693 -7.376 -2.942 362 2HB LEU 43 2HB LEU 43 21.546 -5.632 -3.045 363 HG LEU 43 HG LEU 43 19.453 -7.638 -3.931 364 1HD1 LEU 43 1HD1 LEU 43 19.733 -7.541 -1.493 365 2HD1 LEU 43 2HD1 LEU 43 19.478 -5.780 -1.537 366 3HD1 LEU 43 3HD1 LEU 43 18.163 -6.881 -2.012 367 1HD2 LEU 43 1HD2 LEU 43 19.765 -4.756 -4.419 368 2HD2 LEU 43 2HD2 LEU 43 18.763 -5.968 -5.253 369 3HD2 LEU 43 3HD2 LEU 43 18.184 -5.221 -3.745 370 MD1 LEU 43 MD1 LEU 43 19.124 -6.734 -1.681 371 MD2 LEU 43 MD2 LEU 43 18.904 -5.315 -4.473 372 QB LEU 43 QB LEU 43 21.619 -6.504 -2.993 373 QD LEU 43 QD LEU 43 19.014 -6.025 -3.077 374 H LYS 44 H LYS 44 24.018 -7.852 -4.164 375 HA LYS 44 HA LYS 44 25.766 -5.770 -3.783 376 1HB LYS 44 1HB LYS 44 26.007 -8.703 -4.259 377 2HB LYS 44 2HB LYS 44 27.463 -7.746 -4.438 378 1HG LYS 44 1HG LYS 44 26.523 -6.670 -2.114 379 2HG LYS 44 2HG LYS 44 25.822 -8.271 -1.982 380 1HD LYS 44 1HD LYS 44 28.743 -7.990 -2.739 381 2HD LYS 44 2HD LYS 44 28.271 -7.804 -1.061 382 1HE LYS 44 2HE LYS 44 26.898 -10.094 -1.665 383 2HE LYS 44 1HE LYS 44 28.517 -10.086 -0.994 384 QB LYS 44 QB LYS 44 26.735 -8.225 -4.349 385 QD LYS 44 QD LYS 44 28.507 -7.897 -1.900 386 QG LYS 44 QG LYS 44 26.173 -7.471 -2.048 387 QE LYS 44 QE LYS 44 27.708 -10.090 -1.330 388 QZ LYS 44 QZ LYS 44 28.434 -10.239 -3.647 389 H LYS 45 H LYS 45 24.467 -7.062 -6.751 390 HA LYS 45 HA LYS 45 26.612 -6.303 -8.433 391 1HB LYS 45 2HB LYS 45 25.090 -6.776 -10.238 392 2HB LYS 45 1HB LYS 45 23.699 -6.672 -9.178 393 1HG LYS 45 1HG LYS 45 25.919 -8.661 -8.597 394 2HG LYS 45 2HG LYS 45 24.260 -8.694 -8.034 395 1HD LYS 45 1HD LYS 45 23.416 -9.340 -10.184 396 2HD LYS 45 2HD LYS 45 24.894 -8.873 -11.002 397 1HE LYS 45 1HE LYS 45 25.196 -10.959 -8.874 398 2HE LYS 45 2HE LYS 45 24.304 -11.453 -10.299 399 QB LYS 45 QB LYS 45 24.395 -6.724 -9.708 400 QD LYS 45 QD LYS 45 24.155 -9.106 -10.593 401 QG LYS 45 QG LYS 45 25.090 -8.678 -8.316 402 QE LYS 45 QE LYS 45 24.750 -11.206 -9.586 403 QZ LYS 45 QZ LYS 45 26.468 -10.669 -11.208 404 H SER 46 H SER 46 24.504 -4.485 -6.512 405 HA SER 46 HA SER 46 23.883 -2.414 -8.265 406 1HB SER 46 2HB SER 46 22.742 -2.779 -6.094 407 2HB SER 46 1HB SER 46 23.342 -1.139 -6.234 408 HG SER 46 HG SER 46 24.090 -3.178 -4.459 409 QB SER 46 QB SER 46 23.042 -1.959 -6.164 410 H GLY 47 H GLY 47 26.316 -2.464 -5.547 411 1HA GLY 47 1HA GLY 47 28.626 -1.870 -6.552 412 2HA GLY 47 2HA GLY 47 27.822 -0.364 -6.949 413 QA GLY 47 QA GLY 47 28.224 -1.117 -6.751 414 H LEU 48 H LEU 48 26.043 -0.663 -4.443 415 HA LEU 48 HA LEU 48 27.676 0.876 -2.746 416 1HB LEU 48 1HB LEU 48 24.957 -0.379 -2.517 417 2HB LEU 48 2HB LEU 48 25.700 0.414 -1.142 418 HG LEU 48 HG LEU 48 25.648 1.977 -3.668 419 1HD1 LEU 48 1HD1 LEU 48 23.197 0.887 -2.415 420 2HD1 LEU 48 2HD1 LEU 48 23.188 2.632 -2.764 421 3HD1 LEU 48 3HD1 LEU 48 23.491 1.465 -4.073 422 1HD2 LEU 48 1HD2 LEU 48 26.160 2.472 -0.970 423 2HD2 LEU 48 2HD2 LEU 48 25.992 3.673 -2.273 424 3HD2 LEU 48 3HD2 LEU 48 24.582 3.233 -1.280 425 MD1 LEU 48 MD1 LEU 48 23.292 1.661 -3.084 426 MD2 LEU 48 MD2 LEU 48 25.578 3.126 -1.508 427 QB LEU 48 QB LEU 48 25.328 0.018 -1.829 428 QD LEU 48 QD LEU 48 24.435 2.393 -2.296 429 HA PRO 49 HA PRO 49 29.525 -2.140 -0.277 430 1HB PRO 49 1HB PRO 49 29.662 -0.950 2.180 431 2HB PRO 49 2HB PRO 49 30.769 -0.581 0.873 432 1HG PRO 49 1HG PRO 49 28.508 1.025 1.896 433 2HG PRO 49 2HG PRO 49 29.862 1.539 0.909 434 1HD PRO 49 1HD PRO 49 27.177 1.055 0.023 435 2HD PRO 49 2HD PRO 49 28.555 1.456 -0.982 436 QB PRO 49 QB PRO 49 30.216 -0.766 1.526 437 QG PRO 49 QG PRO 49 29.185 1.282 1.402 438 QD PRO 49 QD PRO 49 27.866 1.255 -0.479 439 H ASP 50 H ASP 50 29.440 -3.569 1.715 440 HA ASP 50 HA ASP 50 26.823 -4.594 1.737 441 1HB ASP 50 2HB ASP 50 27.736 -6.246 3.326 442 2HB ASP 50 1HB ASP 50 29.130 -5.230 3.634 443 HD2 ASP 50 HD2 ASP 50 30.787 -6.024 2.716 444 QB ASP 50 QB ASP 50 28.433 -5.738 3.480 445 H LEU 51 H LEU 51 28.660 -2.258 3.619 446 HA LEU 51 HA LEU 51 27.397 -2.504 6.093 447 1HB LEU 51 1HB LEU 51 29.142 -1.174 6.405 448 2HB LEU 51 2HB LEU 51 29.184 -0.667 4.728 449 HG LEU 51 HG LEU 51 27.469 1.029 5.165 450 1HD1 LEU 51 1HD1 LEU 51 26.647 -0.484 7.239 451 2HD1 LEU 51 2HD1 LEU 51 27.613 0.731 8.111 452 3HD1 LEU 51 3HD1 LEU 51 26.269 1.247 7.064 453 1HD2 LEU 51 1HD2 LEU 51 30.041 1.291 5.638 454 2HD2 LEU 51 2HD2 LEU 51 28.895 2.581 6.073 455 3HD2 LEU 51 3HD2 LEU 51 29.498 1.468 7.324 456 MD1 LEU 51 MD1 LEU 51 26.843 0.498 7.471 457 MD2 LEU 51 MD2 LEU 51 29.478 1.780 6.345 458 QB LEU 51 QB LEU 51 29.163 -0.920 5.567 459 QD LEU 51 QD LEU 51 28.161 1.139 6.908 460 H ILE 52 H ILE 52 26.780 0.006 3.531 461 HA ILE 52 HA ILE 52 24.429 0.921 4.662 462 HB ILE 52 HB ILE 52 25.391 0.914 1.802 463 1HG1 ILE 52 1HG1 ILE 52 25.907 2.603 4.189 464 2HG1 ILE 52 2HG1 ILE 52 26.947 2.213 2.834 465 1HG2 ILE 52 1HG2 ILE 52 22.842 1.235 2.260 466 2HG2 ILE 52 2HG2 ILE 52 23.341 2.836 2.855 467 3HG2 ILE 52 3HG2 ILE 52 23.703 2.357 1.180 468 1HD1 ILE 52 1HD1 ILE 52 25.364 3.694 1.401 469 2HD1 ILE 52 2HD1 ILE 52 24.725 4.282 2.954 470 3HD1 ILE 52 3HD1 ILE 52 26.442 4.522 2.549 471 MG ILE 52 MG ILE 52 23.295 2.143 2.098 472 MD ILE 52 MD ILE 52 25.510 4.166 2.301 473 QG ILE 52 QG ILE 52 26.427 2.408 3.512 474 H LEU 53 H LEU 53 25.092 -1.869 2.533 475 HA LEU 53 HA LEU 53 22.412 -2.376 1.864 476 1HB LEU 53 1HB LEU 53 25.023 -3.646 1.567 477 2HB LEU 53 2HB LEU 53 23.731 -4.808 1.799 478 HG LEU 53 HG LEU 53 23.626 -2.624 -0.293 479 1HD1 LEU 53 1HD1 LEU 53 25.503 -4.587 -0.328 480 2HD1 LEU 53 2HD1 LEU 53 24.160 -5.388 -1.179 481 3HD1 LEU 53 3HD1 LEU 53 24.796 -3.838 -1.779 482 1HD2 LEU 53 1HD2 LEU 53 21.482 -3.697 0.490 483 2HD2 LEU 53 2HD2 LEU 53 21.823 -3.835 -1.251 484 3HD2 LEU 53 3HD2 LEU 53 22.094 -5.229 -0.178 485 MD1 LEU 53 MD1 LEU 53 24.819 -4.604 -1.095 486 MD2 LEU 53 MD2 LEU 53 21.800 -4.253 -0.313 487 QB LEU 53 QB LEU 53 24.377 -4.227 1.683 488 QD LEU 53 QD LEU 53 23.310 -4.429 -0.704 489 H GLY 54 H GLY 54 24.551 -3.487 4.550 490 1HA GLY 54 1HA GLY 54 23.050 -5.410 5.728 491 2HA GLY 54 2HA GLY 54 23.997 -4.228 6.609 492 QA GLY 54 QA GLY 54 23.524 -4.819 6.169 493 H LYS 55 H LYS 55 22.594 -1.823 6.015 494 HA LYS 55 HA LYS 55 20.518 -1.994 7.892 495 1HB LYS 55 1HB LYS 55 21.519 0.131 6.009 496 2HB LYS 55 2HB LYS 55 20.046 0.384 6.923 497 1HG LYS 55 1HG LYS 55 22.392 -0.670 8.468 498 2HG LYS 55 2HG LYS 55 22.529 0.978 7.889 499 1HD LYS 55 1HD LYS 55 20.971 1.758 9.370 500 2HD LYS 55 2HD LYS 55 19.878 0.422 9.067 501 1HE LYS 55 1HE LYS 55 21.842 -0.911 10.425 502 2HE LYS 55 2HE LYS 55 22.037 0.681 11.132 503 QB LYS 55 QB LYS 55 20.783 0.257 6.466 504 QD LYS 55 QD LYS 55 20.424 1.090 9.219 505 QG LYS 55 QG LYS 55 22.460 0.154 8.178 506 QE LYS 55 QE LYS 55 21.940 -0.115 10.778 507 QZ LYS 55 QZ LYS 55 19.940 -0.721 11.699 508 H ILE 56 H ILE 56 20.591 -1.927 4.291 509 HA ILE 56 HA ILE 56 17.862 -1.682 3.889 510 HB ILE 56 HB ILE 56 20.119 -2.867 2.308 511 1HG1 ILE 56 1HG1 ILE 56 18.430 -0.365 2.106 512 2HG1 ILE 56 2HG1 ILE 56 20.145 -0.480 2.446 513 1HG2 ILE 56 1HG2 ILE 56 17.187 -2.848 1.565 514 2HG2 ILE 56 2HG2 ILE 56 18.505 -2.982 0.376 515 3HG2 ILE 56 3HG2 ILE 56 18.301 -4.234 1.624 516 1HD1 ILE 56 1HD1 ILE 56 20.094 -1.809 0.070 517 2HD1 ILE 56 2HD1 ILE 56 18.703 -0.722 -0.163 518 3HD1 ILE 56 3HD1 ILE 56 20.312 -0.046 0.190 519 MG ILE 56 MG ILE 56 17.998 -3.355 1.189 520 MD ILE 56 MD ILE 56 19.703 -0.859 0.032 521 QG ILE 56 QG ILE 56 19.288 -0.422 2.276 522 H TRP 57 H TRP 57 19.887 -4.696 4.062 523 HA TRP 57 HA TRP 57 17.795 -6.483 3.837 524 1HB TRP 57 1HB TRP 57 20.321 -6.870 3.773 525 2HB TRP 57 2HB TRP 57 20.249 -6.941 5.523 526 HD1 TRP 57 HD1 TRP 57 18.814 -9.072 6.582 527 HE1 TRP 57 HE1 TRP 57 18.274 -11.497 5.694 528 HE3 TRP 57 HE3 TRP 57 19.845 -8.083 1.702 529 HZ2 TRP 57 HZ2 TRP 57 18.336 -12.703 3.108 530 HZ3 TRP 57 HZ3 TRP 57 19.580 -9.940 0.060 531 HH2 TRP 57 HH2 TRP 57 18.854 -12.186 0.695 532 QB TRP 57 QB TRP 57 20.285 -6.905 4.648 533 H ASP 58 H ASP 58 19.408 -5.181 6.831 534 HA ASP 58 HA ASP 58 17.950 -6.384 8.701 535 1HB ASP 58 1HB ASP 58 19.791 -4.508 8.838 536 2HB ASP 58 2HB ASP 58 18.442 -3.388 8.859 537 HD2 ASP 58 HD2 ASP 58 17.747 -3.281 11.670 538 QB ASP 58 QB ASP 58 19.116 -3.948 8.849 539 H LEU 59 H LEU 59 17.078 -3.437 6.780 540 HA LEU 59 HA LEU 59 14.582 -3.084 8.112 541 1HB LEU 59 1HB LEU 59 15.635 -1.159 7.275 542 2HB LEU 59 2HB LEU 59 15.904 -1.875 5.698 543 HG LEU 59 HG LEU 59 14.099 -0.092 5.881 544 1HD1 LEU 59 1HD1 LEU 59 14.331 -2.348 4.259 545 2HD1 LEU 59 2HD1 LEU 59 12.612 -2.298 4.720 546 3HD1 LEU 59 3HD1 LEU 59 13.365 -0.887 3.940 547 1HD2 LEU 59 1HD2 LEU 59 12.876 -2.251 7.546 548 2HD2 LEU 59 2HD2 LEU 59 12.822 -0.482 7.737 549 3HD2 LEU 59 3HD2 LEU 59 11.818 -1.274 6.500 550 MD1 LEU 59 MD1 LEU 59 13.436 -1.844 4.306 551 MD2 LEU 59 MD2 LEU 59 12.505 -1.336 7.261 552 QB LEU 59 QB LEU 59 15.770 -1.517 6.486 553 QD LEU 59 QD LEU 59 12.971 -1.590 5.784 554 H ALA 60 H ALA 60 15.791 -4.884 5.301 555 HA ALA 60 HA ALA 60 13.243 -5.305 4.133 556 1HB ALA 60 2HB ALA 60 15.194 -7.380 3.561 557 2HB ALA 60 3HB ALA 60 14.543 -6.118 2.489 558 3HB ALA 60 1HB ALA 60 15.959 -5.773 3.511 559 MB ALA 60 MB ALA 60 15.232 -6.424 3.187 560 H ASP 61 H ASP 61 15.470 -7.666 5.780 561 HA ASP 61 HA ASP 61 13.887 -9.727 6.052 562 1HB ASP 61 1HB ASP 61 16.092 -9.750 7.034 563 2HB ASP 61 2HB ASP 61 15.694 -8.451 8.141 564 HD2 ASP 61 HD2 ASP 61 15.659 -9.321 10.127 565 QB ASP 61 QB ASP 61 15.893 -9.100 7.588 566 H THR 62 H THR 62 11.902 -10.220 7.040 567 HA THR 62 HA THR 62 11.042 -8.931 9.423 568 HB THR 62 HB THR 62 10.019 -7.995 6.719 569 HG1 THR 62 HG1 THR 62 10.216 -5.995 8.043 570 1HG2 THR 62 1HG2 THR 62 8.359 -8.657 9.039 571 2HG2 THR 62 2HG2 THR 62 8.397 -6.895 8.785 572 3HG2 THR 62 3HG2 THR 62 7.861 -7.972 7.473 573 MG THR 62 MG THR 62 8.206 -7.841 8.432 574 H ASP 63 H ASP 63 10.195 -10.808 6.474 575 HA ASP 63 HA ASP 63 7.953 -12.009 7.352 576 1HB ASP 63 1HB ASP 63 9.061 -12.308 5.108 577 2HB ASP 63 2HB ASP 63 10.257 -13.347 5.856 578 HD2 ASP 63 HD2 ASP 63 8.301 -15.369 4.154 579 QB ASP 63 QB ASP 63 9.659 -12.828 5.482 580 H GLY 64 H GLY 64 11.414 -12.912 7.958 581 1HA GLY 64 1HA GLY 64 11.620 -13.668 10.392 582 2HA GLY 64 2HA GLY 64 10.530 -14.948 9.898 583 QA GLY 64 QA GLY 64 11.075 -14.308 10.145 584 H LYS 65 H LYS 65 11.287 -15.947 7.568 585 HA LYS 65 HA LYS 65 13.884 -17.032 8.141 586 1HB LYS 65 1HB LYS 65 11.880 -18.359 7.361 587 2HB LYS 65 2HB LYS 65 12.062 -17.606 5.790 588 1HG LYS 65 1HG LYS 65 14.208 -18.605 5.424 589 2HG LYS 65 2HG LYS 65 14.416 -18.995 7.120 590 1HD LYS 65 1HD LYS 65 11.992 -20.275 6.288 591 2HD LYS 65 2HD LYS 65 13.172 -20.585 5.029 592 1HE LYS 65 1HE LYS 65 14.792 -21.413 6.748 593 2HE LYS 65 2HE LYS 65 13.619 -21.095 8.010 594 QB LYS 65 QB LYS 65 11.971 -17.983 6.576 595 QD LYS 65 QD LYS 65 12.582 -20.430 5.659 596 QG LYS 65 QG LYS 65 14.312 -18.800 6.272 597 QE LYS 65 QE LYS 65 14.206 -21.254 7.379 598 QZ LYS 65 QZ LYS 65 12.548 -22.830 6.551 599 H GLY 66 H GLY 66 15.682 -17.045 6.607 600 1HA GLY 66 1HA GLY 66 16.467 -14.558 5.752 601 2HA GLY 66 2HA GLY 66 17.102 -16.078 5.154 602 QA GLY 66 QA GLY 66 16.785 -15.318 5.453 603 H VAL 67 H VAL 67 14.702 -17.137 3.932 604 HA VAL 67 HA VAL 67 14.887 -16.216 1.401 605 HB VAL 67 HB VAL 67 12.452 -17.312 2.821 606 1HG1 VAL 67 1HG1 VAL 67 12.305 -16.174 0.415 607 2HG1 VAL 67 2HG1 VAL 67 12.938 -17.758 -0.095 608 3HG1 VAL 67 3HG1 VAL 67 11.409 -17.660 0.812 609 1HG2 VAL 67 1HG2 VAL 67 14.874 -18.521 2.600 610 2HG2 VAL 67 2HG2 VAL 67 13.323 -19.394 2.637 611 3HG2 VAL 67 3HG2 VAL 67 14.111 -19.044 1.079 612 MG1 VAL 67 MG1 VAL 67 12.217 -17.198 0.377 613 MG2 VAL 67 MG2 VAL 67 14.102 -18.986 2.105 614 QG VAL 67 QG VAL 67 13.160 -18.092 1.241 615 H LEU 68 H LEU 68 13.809 -14.690 0.073 616 HA LEU 68 HA LEU 68 12.668 -12.483 1.614 617 1HB LEU 68 1HB LEU 68 13.767 -12.554 -1.200 618 2HB LEU 68 2HB LEU 68 13.165 -11.134 -0.368 619 HG LEU 68 HG LEU 68 15.666 -12.722 0.215 620 1HD1 LEU 68 1HD1 LEU 68 15.684 -10.935 -1.541 621 2HD1 LEU 68 2HD1 LEU 68 15.296 -9.756 -0.265 622 3HD1 LEU 68 3HD1 LEU 68 16.821 -10.672 -0.197 623 1HD2 LEU 68 1HD2 LEU 68 14.331 -10.666 1.992 624 2HD2 LEU 68 2HD2 LEU 68 14.688 -12.367 2.374 625 3HD2 LEU 68 3HD2 LEU 68 16.019 -11.204 2.163 626 MD1 LEU 68 MD1 LEU 68 15.933 -10.455 -0.667 627 MD2 LEU 68 MD2 LEU 68 15.013 -11.413 2.177 628 QB LEU 68 QB LEU 68 13.466 -11.844 -0.784 629 QD LEU 68 QD LEU 68 15.473 -10.934 0.755 630 H SER 69 H SER 69 10.925 -11.201 0.265 631 HA SER 69 HA SER 69 9.131 -13.213 -0.853 632 1HB SER 69 2HB SER 69 7.264 -12.164 0.204 633 2HB SER 69 1HB SER 69 8.168 -10.707 0.562 634 HG SER 69 HG SER 69 9.572 -12.396 1.872 635 QB SER 69 QB SER 69 7.716 -11.436 0.383 636 H LYS 70 H LYS 70 7.172 -10.888 -1.355 637 HA LYS 70 HA LYS 70 8.301 -10.158 -3.907 638 1HB LYS 70 1HB LYS 70 5.599 -10.111 -2.632 639 2HB LYS 70 2HB LYS 70 5.906 -8.970 -3.925 640 1HG LYS 70 1HG LYS 70 6.499 -10.748 -5.475 641 2HG LYS 70 2HG LYS 70 6.541 -11.940 -4.191 642 1HD LYS 70 1HD LYS 70 4.237 -12.149 -4.109 643 2HD LYS 70 2HD LYS 70 3.959 -10.456 -4.468 644 1HE LYS 70 1HE LYS 70 3.961 -10.791 -6.759 645 2HE LYS 70 2HE LYS 70 5.188 -12.040 -6.688 646 QB LYS 70 QB LYS 70 5.753 -9.540 -3.278 647 QD LYS 70 QD LYS 70 4.098 -11.302 -4.289 648 QG LYS 70 QG LYS 70 6.520 -11.344 -4.833 649 QE LYS 70 QE LYS 70 4.574 -11.415 -6.723 650 QZ LYS 70 QZ LYS 70 3.148 -13.150 -6.724 651 H GLN 71 H GLN 71 6.231 -7.949 -2.033 652 HA GLN 71 HA GLN 71 7.414 -5.690 -2.689 653 1HB GLN 71 1HB GLN 71 5.560 -6.496 -0.741 654 2HB GLN 71 2HB GLN 71 6.780 -5.644 0.184 655 1HG GLN 71 1HG GLN 71 6.256 -4.151 -2.247 656 2HG GLN 71 2HG GLN 71 4.725 -4.525 -1.481 657 2HE2 GLN 71 1HE2 GLN 71 4.152 -2.667 -0.587 658 1HE2 GLN 71 2HE2 GLN 71 5.061 -1.765 0.579 659 QB GLN 71 QB GLN 71 6.170 -6.070 -0.279 660 QG GLN 71 QG GLN 71 5.490 -4.338 -1.864 661 QE GLN 71 QE GLN 71 4.607 -2.216 -0.004 662 H GLU 72 H GLU 72 8.416 -7.749 0.126 663 HA GLU 72 HA GLU 72 10.295 -6.272 1.249 664 1HB GLU 72 1HB GLU 72 10.003 -9.196 0.739 665 2HB GLU 72 2HB GLU 72 11.608 -8.683 1.220 666 1HG GLU 72 1HG GLU 72 9.946 -7.262 2.974 667 2HG GLU 72 2HG GLU 72 9.120 -8.799 2.811 668 HE2 GLU 72 HE2 GLU 72 11.375 -10.428 4.788 669 QB GLU 72 QB GLU 72 10.806 -8.939 0.979 670 QG GLU 72 QG GLU 72 9.533 -8.031 2.893 671 H PHE 73 H PHE 73 11.216 -8.648 -1.354 672 HA PHE 73 HA PHE 73 13.728 -7.589 -1.778 673 1HB PHE 73 1HB PHE 73 13.186 -9.751 -2.685 674 2HB PHE 73 2HB PHE 73 11.660 -9.192 -3.338 675 HD1 PHE 73 HD1 PHE 73 11.609 -7.917 -5.452 676 HD2 PHE 73 HD2 PHE 73 15.221 -9.554 -3.943 677 HE1 PHE 73 HE1 PHE 73 12.677 -7.638 -7.706 678 HE2 PHE 73 HE2 PHE 73 16.289 -9.275 -6.197 679 HZ PHE 73 HZ PHE 73 15.004 -8.320 -8.052 680 QB PHE 73 QB PHE 73 12.423 -9.471 -3.011 681 QD PHE 73 QD PHE 73 13.415 -8.735 -4.697 682 QE PHE 73 QE PHE 73 14.483 -8.456 -6.952 683 QR PHE 73 QR PHE 73 13.949 -8.596 -5.825 684 H PHE 74 H PHE 74 10.601 -6.897 -3.476 685 HA PHE 74 HA PHE 74 11.626 -5.213 -5.407 686 1HB PHE 74 1HB PHE 74 9.068 -5.909 -4.073 687 2HB PHE 74 2HB PHE 74 9.078 -4.228 -4.569 688 HD1 PHE 74 HD1 PHE 74 9.653 -7.665 -5.867 689 HD2 PHE 74 HD2 PHE 74 8.606 -3.655 -6.782 690 HE1 PHE 74 HE1 PHE 74 9.066 -8.352 -8.209 691 HE2 PHE 74 HE2 PHE 74 8.020 -4.343 -9.123 692 HZ PHE 74 HZ PHE 74 8.256 -6.683 -9.809 693 QB PHE 74 QB PHE 74 9.073 -5.069 -4.321 694 QD PHE 74 QD PHE 74 9.129 -5.660 -6.325 695 QE PHE 74 QE PHE 74 8.543 -6.348 -8.666 696 QR PHE 74 QR PHE 74 8.836 -6.004 -7.495 697 H VAL 75 H VAL 75 11.342 -4.747 -1.959 698 HA VAL 75 HA VAL 75 11.295 -1.866 -2.166 699 HB VAL 75 HB VAL 75 10.936 -3.924 -0.111 700 1HG1 VAL 75 1HG1 VAL 75 12.567 -1.453 0.470 701 2HG1 VAL 75 2HG1 VAL 75 11.530 -2.186 1.718 702 3HG1 VAL 75 3HG1 VAL 75 12.846 -3.134 0.984 703 1HG2 VAL 75 1HG2 VAL 75 9.204 -2.344 -1.105 704 2HG2 VAL 75 2HG2 VAL 75 9.240 -2.460 0.671 705 3HG2 VAL 75 3HG2 VAL 75 9.968 -1.055 -0.144 706 MG1 VAL 75 MG1 VAL 75 12.314 -2.258 1.058 707 MG2 VAL 75 MG2 VAL 75 9.471 -1.953 -0.192 708 QG VAL 75 QG VAL 75 10.892 -2.105 0.433 709 H ALA 76 H ALA 76 13.527 -4.292 -0.620 710 HA ALA 76 HA ALA 76 15.632 -2.675 -0.144 711 1HB ALA 76 2HB ALA 76 16.465 -5.245 -1.287 712 2HB ALA 76 3HB ALA 76 16.613 -4.639 0.379 713 3HB ALA 76 1HB ALA 76 15.101 -5.412 -0.155 714 MB ALA 76 MB ALA 76 16.060 -5.099 -0.354 715 H LEU 77 H LEU 77 14.445 -3.842 -3.281 716 HA LEU 77 HA LEU 77 16.746 -3.364 -4.779 717 1HB LEU 77 1HB LEU 77 14.127 -4.247 -5.201 718 2HB LEU 77 2HB LEU 77 14.285 -2.823 -6.210 719 HG LEU 77 HG LEU 77 15.841 -5.399 -6.329 720 1HD1 LEU 77 1HD1 LEU 77 13.701 -5.139 -7.586 721 2HD1 LEU 77 2HD1 LEU 77 14.455 -3.814 -8.505 722 3HD1 LEU 77 3HD1 LEU 77 15.118 -5.462 -8.614 723 1HD2 LEU 77 1HD2 LEU 77 16.736 -2.681 -7.199 724 2HD2 LEU 77 2HD2 LEU 77 17.672 -4.040 -6.533 725 3HD2 LEU 77 3HD2 LEU 77 17.119 -4.084 -8.224 726 MD1 LEU 77 MD1 LEU 77 14.425 -4.805 -8.235 727 MD2 LEU 77 MD2 LEU 77 17.176 -3.602 -7.319 728 QB LEU 77 QB LEU 77 14.206 -3.535 -5.706 729 QD LEU 77 QD LEU 77 15.800 -4.203 -7.777 730 H ARG 78 H ARG 78 13.782 -1.305 -5.024 731 HA ARG 78 HA ARG 78 15.084 0.844 -6.019 732 1HB ARG 78 1HB ARG 78 12.533 0.533 -4.405 733 2HB ARG 78 2HB ARG 78 13.069 2.141 -4.849 734 1HG ARG 78 2HG ARG 78 11.539 1.335 -6.572 735 2HG ARG 78 1HG ARG 78 12.429 -0.165 -6.742 736 1HD ARG 78 2HD ARG 78 14.002 2.361 -7.150 737 2HD ARG 78 1HD ARG 78 12.810 1.986 -8.378 738 HE ARG 78 HE ARG 78 14.587 -0.249 -7.609 739 1HH1 ARG 78 1HH1 ARG 78 13.957 2.382 -9.896 740 2HH1 ARG 78 2HH1 ARG 78 14.961 1.710 -11.137 741 2HH2 ARG 78 HH2 ARG 78 16.101 -0.359 -10.733 742 QB ARG 78 QB ARG 78 12.801 1.337 -4.627 743 QG ARG 78 QG ARG 78 11.984 0.585 -6.657 744 QD ARG 78 QD ARG 78 13.406 2.173 -7.764 745 QH1 ARG 78 QH1 ARG 78 14.459 2.046 -10.517 746 H LEU 79 H LEU 79 14.881 -0.315 -2.681 747 HA LEU 79 HA LEU 79 15.426 2.036 -1.316 748 1HB LEU 79 1HB LEU 79 14.779 -0.374 -0.544 749 2HB LEU 79 2HB LEU 79 16.512 -0.620 -0.454 750 HG LEU 79 HG LEU 79 14.923 1.473 1.055 751 1HD1 LEU 79 1HD1 LEU 79 15.383 -1.271 1.595 752 2HD1 LEU 79 2HD1 LEU 79 16.381 -0.333 2.732 753 3HD1 LEU 79 3HD1 LEU 79 14.626 -0.046 2.640 754 1HD2 LEU 79 1HD2 LEU 79 17.802 1.213 0.520 755 2HD2 LEU 79 2HD2 LEU 79 16.851 2.612 1.074 756 3HD2 LEU 79 3HD2 LEU 79 17.387 1.381 2.243 757 MD1 LEU 79 MD1 LEU 79 15.463 -0.550 2.322 758 MD2 LEU 79 MD2 LEU 79 17.346 1.735 1.279 759 QB LEU 79 QB LEU 79 15.646 -0.497 -0.499 760 QD LEU 79 QD LEU 79 16.405 0.593 1.801 761 H VAL 80 H VAL 80 17.588 -0.311 -2.977 762 HA VAL 80 HA VAL 80 19.997 0.707 -2.061 763 HB VAL 80 HB VAL 80 19.173 -0.672 -4.614 764 1HG1 VAL 80 1HG1 VAL 80 21.653 0.698 -4.058 765 2HG1 VAL 80 2HG1 VAL 80 21.940 -1.053 -4.198 766 3HG1 VAL 80 3HG1 VAL 80 21.146 -0.172 -5.526 767 1HG2 VAL 80 1HG2 VAL 80 19.948 -1.517 -1.902 768 2HG2 VAL 80 2HG2 VAL 80 19.041 -2.386 -3.163 769 3HG2 VAL 80 3HG2 VAL 80 20.820 -2.362 -3.203 770 MG1 VAL 80 MG1 VAL 80 21.580 -0.175 -4.594 771 MG2 VAL 80 MG2 VAL 80 19.936 -2.088 -2.756 772 QG VAL 80 QG VAL 80 20.758 -1.132 -3.675 773 H ALA 81 H ALA 81 17.806 1.772 -4.696 774 HA ALA 81 HA ALA 81 19.604 3.617 -5.826 775 1HB ALA 81 1HB ALA 81 16.802 2.798 -6.080 776 2HB ALA 81 3HB ALA 81 17.929 3.401 -7.319 777 3HB ALA 81 2HB ALA 81 17.017 4.550 -6.311 778 MB ALA 81 MB ALA 81 17.249 3.583 -6.570 779 H CYS 82 H CYS 82 18.059 3.519 -2.776 780 HA CYS 82 HA CYS 82 17.603 6.317 -2.522 781 1HB CYS 82 1HB CYS 82 16.600 4.210 -1.206 782 2HB CYS 82 2HB CYS 82 17.919 4.577 -0.112 783 HG CYS 82 HG CYS 82 16.164 5.966 0.778 784 QB CYS 82 QB CYS 82 17.259 4.393 -0.659 785 H ALA 83 H ALA 83 19.825 4.061 -0.716 786 HA ALA 83 HA ALA 83 21.493 6.007 0.275 787 1HB ALA 83 2HB ALA 83 22.289 3.190 -0.553 788 2HB ALA 83 3HB ALA 83 23.013 4.186 0.732 789 3HB ALA 83 1HB ALA 83 21.354 3.567 0.914 790 MB ALA 83 MB ALA 83 22.219 3.648 0.364 791 H GLN 84 H GLN 84 21.143 4.797 -2.993 792 HA GLN 84 HA GLN 84 23.689 5.231 -3.933 793 1HB GLN 84 1HB GLN 84 20.939 5.221 -5.177 794 2HB GLN 84 2HB GLN 84 22.299 5.740 -6.153 795 1HG GLN 84 1HG GLN 84 22.929 3.291 -4.649 796 2HG GLN 84 2HG GLN 84 21.509 3.078 -5.653 797 2HE2 GLN 84 1HE2 GLN 84 23.497 1.572 -6.341 798 1HE2 GLN 84 2HE2 GLN 84 24.344 2.118 -7.749 799 QB GLN 84 QB GLN 84 21.619 5.480 -5.665 800 QG GLN 84 QG GLN 84 22.219 3.184 -5.151 801 QE GLN 84 QE GLN 84 23.921 1.845 -7.045 802 H ASN 85 H ASN 85 21.108 7.487 -3.064 803 HA ASN 85 HA ASN 85 22.547 9.638 -4.361 804 1HB ASN 85 1HB ASN 85 20.160 9.725 -4.755 805 2HB ASN 85 2HB ASN 85 19.791 9.405 -3.072 806 2HD2 ASN 85 1HD2 ASN 85 20.289 11.739 -5.448 807 1HD2 ASN 85 2HD2 ASN 85 20.309 13.168 -4.469 808 QB ASN 85 QB ASN 85 19.976 9.565 -3.913 809 QD ASN 85 QD ASN 85 20.299 12.454 -4.958 810 H GLY 86 H GLY 86 22.199 7.989 -1.352 811 1HA GLY 86 1HA GLY 86 23.612 8.494 0.464 812 2HA GLY 86 2HA GLY 86 23.529 10.199 0.065 813 QA GLY 86 QA GLY 86 23.571 9.346 0.265 814 H LEU 87 H LEU 87 20.483 8.557 -0.254 815 HA LEU 87 HA LEU 87 19.438 10.051 1.956 816 1HB LEU 87 1HB LEU 87 18.212 8.172 -0.060 817 2HB LEU 87 2HB LEU 87 17.295 8.936 1.223 818 HG LEU 87 HG LEU 87 18.852 10.458 -0.883 819 1HD1 LEU 87 1HD1 LEU 87 16.248 9.151 -1.016 820 2HD1 LEU 87 2HD1 LEU 87 16.158 10.897 -1.350 821 3HD1 LEU 87 3HD1 LEU 87 17.245 9.862 -2.307 822 1HD2 LEU 87 1HD2 LEU 87 16.830 11.360 1.186 823 2HD2 LEU 87 2HD2 LEU 87 18.567 11.746 1.138 824 3HD2 LEU 87 3HD2 LEU 87 17.480 12.376 -0.123 825 MD1 LEU 87 MD1 LEU 87 16.550 9.970 -1.557 826 MD2 LEU 87 MD2 LEU 87 17.626 11.827 0.733 827 QB LEU 87 QB LEU 87 17.753 8.554 0.582 828 QD LEU 87 QD LEU 87 17.088 10.899 -0.412 829 H GLU 88 H GLU 88 17.634 8.612 3.278 830 HA GLU 88 HA GLU 88 19.174 7.127 5.018 831 1HB GLU 88 1HB GLU 88 16.664 8.229 5.068 832 2HB GLU 88 2HB GLU 88 16.250 6.531 4.934 833 1HG GLU 88 1HG GLU 88 16.807 6.152 7.101 834 2HG GLU 88 2HG GLU 88 18.401 6.842 6.870 835 HE2 GLU 88 HE2 GLU 88 15.538 8.107 8.806 836 QB GLU 88 QB GLU 88 16.457 7.380 5.001 837 QG GLU 88 QG GLU 88 17.604 6.497 6.985 838 H VAL 89 H VAL 89 18.503 4.742 5.683 839 HA VAL 89 HA VAL 89 18.451 3.183 3.192 840 HB VAL 89 HB VAL 89 19.639 2.420 5.864 841 1HG1 VAL 89 1HG1 VAL 89 19.131 0.989 3.389 842 2HG1 VAL 89 2HG1 VAL 89 20.869 1.011 3.772 843 3HG1 VAL 89 3HG1 VAL 89 19.704 0.378 4.960 844 1HG2 VAL 89 1HG2 VAL 89 20.626 4.374 4.154 845 2HG2 VAL 89 2HG2 VAL 89 21.554 3.477 5.380 846 3HG2 VAL 89 3HG2 VAL 89 21.533 2.914 3.691 847 MG1 VAL 89 MG1 VAL 89 19.901 0.793 4.040 848 MG2 VAL 89 MG2 VAL 89 21.238 3.588 4.408 849 QG VAL 89 QG VAL 89 20.570 2.191 4.224 850 H SER 90 H SER 90 16.683 4.129 5.947 851 HA SER 90 HA SER 90 15.304 1.597 6.116 852 1HB SER 90 1HB SER 90 14.838 4.166 7.693 853 2HB SER 90 2HB SER 90 14.151 2.595 8.054 854 HG SER 90 HG SER 90 15.905 2.194 9.197 855 QB SER 90 QB SER 90 14.495 3.381 7.873 856 H LEU 91 H LEU 91 12.940 1.469 5.828 857 HA LEU 91 HA LEU 91 12.064 2.816 3.547 858 1HB LEU 91 1HB LEU 91 10.970 0.909 5.515 859 2HB LEU 91 2HB LEU 91 9.778 1.886 4.681 860 HG LEU 91 HG LEU 91 11.891 0.261 3.247 861 1HD1 LEU 91 1HD1 LEU 91 9.807 -0.789 4.746 862 2HD1 LEU 91 2HD1 LEU 91 9.169 -0.767 3.085 863 3HD1 LEU 91 3HD1 LEU 91 10.697 -1.609 3.440 864 1HD2 LEU 91 1HD2 LEU 91 10.070 2.258 2.370 865 2HD2 LEU 91 2HD2 LEU 91 11.168 1.247 1.400 866 3HD2 LEU 91 3HD2 LEU 91 9.509 0.695 1.731 867 MD1 LEU 91 MD1 LEU 91 9.891 -1.055 3.757 868 MD2 LEU 91 MD2 LEU 91 10.249 1.400 1.834 869 QB LEU 91 QB LEU 91 10.374 1.398 5.098 870 QD LEU 91 QD LEU 91 10.070 0.172 2.795 871 H SER 92 H SER 92 12.011 3.641 6.973 872 HA SER 92 HA SER 92 9.878 5.321 7.065 873 1HB SER 92 2HB SER 92 11.089 6.465 8.916 874 2HB SER 92 1HB SER 92 12.590 5.714 8.409 875 HG SER 92 HG SER 92 10.922 3.673 8.664 876 QB SER 92 QB SER 92 11.839 6.090 8.663 877 H SER 93 H SER 93 12.847 5.624 5.259 878 HA SER 93 HA SER 93 12.161 8.409 4.721 879 1HB SER 93 1HB SER 93 14.604 7.357 5.688 880 2HB SER 93 2HB SER 93 14.905 7.693 3.995 881 HG SER 93 HG SER 93 14.435 9.467 6.126 882 QB SER 93 QB SER 93 14.754 7.525 4.841 883 H LEU 94 H LEU 94 11.023 6.033 3.433 884 HA LEU 94 HA LEU 94 12.289 6.221 0.790 885 1HB LEU 94 1HB LEU 94 11.046 3.998 2.309 886 2HB LEU 94 2HB LEU 94 10.715 4.051 0.588 887 HG LEU 94 HG LEU 94 12.614 2.603 1.105 888 1HD1 LEU 94 1HD1 LEU 94 12.431 4.122 -1.006 889 2HD1 LEU 94 2HD1 LEU 94 13.823 4.970 -0.290 890 3HD1 LEU 94 3HD1 LEU 94 13.939 3.236 -0.675 891 1HD2 LEU 94 1HD2 LEU 94 13.438 4.878 2.737 892 2HD2 LEU 94 2HD2 LEU 94 13.919 3.166 2.821 893 3HD2 LEU 94 3HD2 LEU 94 14.745 4.268 1.693 894 MD1 LEU 94 MD1 LEU 94 13.398 4.109 -0.657 895 MD2 LEU 94 MD2 LEU 94 14.034 4.104 2.417 896 QB LEU 94 QB LEU 94 10.881 4.024 1.448 897 QD LEU 94 QD LEU 94 13.716 4.107 0.880 898 H SER 95 H SER 95 10.302 5.441 -0.882 899 HA SER 95 HA SER 95 8.446 6.019 -1.862 900 1HB SER 95 2HB SER 95 7.485 5.684 0.564 901 2HB SER 95 1HB SER 95 6.495 6.460 -0.655 902 HG SER 95 HG SER 95 8.193 8.099 0.964 903 QB SER 95 QB SER 95 6.990 6.072 -0.046 904 H LEU 96 H LEU 96 10.798 7.675 -1.942 905 HA LEU 96 HA LEU 96 9.562 10.328 -2.212 906 1HB LEU 96 2HB LEU 96 11.403 11.353 -1.379 907 2HB LEU 96 1HB LEU 96 12.500 10.090 -1.901 908 HG LEU 96 HG LEU 96 11.429 8.651 -0.035 909 1HD1 LEU 96 1HD1 LEU 96 13.395 10.882 0.233 910 2HD1 LEU 96 2HD1 LEU 96 12.874 10.029 1.706 911 3HD1 LEU 96 3HD1 LEU 96 13.625 9.123 0.371 912 1HD2 LEU 96 1HD2 LEU 96 9.507 10.102 0.402 913 2HD2 LEU 96 2HD2 LEU 96 10.508 9.890 1.858 914 3HD2 LEU 96 3HD2 LEU 96 10.601 11.404 0.927 915 MD1 LEU 96 MD1 LEU 96 13.298 10.011 0.770 916 MD2 LEU 96 MD2 LEU 96 10.205 10.465 1.062 917 QB LEU 96 QB LEU 96 11.951 10.721 -1.640 918 QD LEU 96 QD LEU 96 11.752 10.238 0.916 919 H ALA 97 H ALA 97 11.789 11.452 -3.662 920 HA ALA 97 HA ALA 97 11.379 10.033 -6.194 921 1HB ALA 97 2HB ALA 97 12.468 12.515 -6.772 922 2HB ALA 97 3HB ALA 97 10.733 12.119 -6.784 923 3HB ALA 97 1HB ALA 97 11.469 12.850 -5.338 924 MB ALA 97 MB ALA 97 11.557 12.495 -6.298 925 H VAL 98 H VAL 98 13.087 8.517 -5.039 926 HA VAL 98 HA VAL 98 15.749 9.518 -4.952 927 HB VAL 98 HB VAL 98 16.348 7.287 -4.402 928 1HG1 VAL 98 1HG1 VAL 98 14.833 8.709 -2.822 929 2HG1 VAL 98 2HG1 VAL 98 13.600 7.479 -3.185 930 3HG1 VAL 98 3HG1 VAL 98 15.141 6.999 -2.435 931 1HG2 VAL 98 1HG2 VAL 98 13.769 6.563 -5.762 932 2HG2 VAL 98 2HG2 VAL 98 15.388 5.845 -5.933 933 3HG2 VAL 98 3HG2 VAL 98 14.413 5.506 -4.483 934 MG1 VAL 98 MG1 VAL 98 14.525 7.729 -2.814 935 MG2 VAL 98 MG2 VAL 98 14.523 5.971 -5.393 936 QG VAL 98 QG VAL 98 14.524 6.850 -4.103 937 HA PRO 99 HA PRO 99 16.858 8.907 -9.082 938 1HB PRO 99 1HB PRO 99 19.545 8.447 -8.893 939 2HB PRO 99 2HB PRO 99 18.839 10.048 -8.805 940 1HG PRO 99 2HG PRO 99 19.621 10.107 -6.636 941 2HG PRO 99 1HG PRO 99 19.931 8.383 -6.621 942 1HD PRO 99 1HD PRO 99 18.025 8.088 -5.370 943 2HD PRO 99 2HD PRO 99 17.655 9.797 -5.485 944 QB PRO 99 QB PRO 99 19.192 9.247 -8.849 945 QG PRO 99 QG PRO 99 19.776 9.245 -6.629 946 QD PRO 99 QD PRO 99 17.840 8.943 -5.428 947 HA PRO 100 HA PRO 100 17.095 4.841 -10.288 948 1HB PRO 100 1HB PRO 100 18.615 4.809 -12.558 949 2HB PRO 100 2HB PRO 100 16.935 5.308 -12.537 950 1HG PRO 100 1HG PRO 100 19.363 6.981 -12.747 951 2HG PRO 100 2HG PRO 100 17.707 7.395 -13.144 952 1HD PRO 100 1HD PRO 100 19.164 8.197 -10.806 953 2HD PRO 100 2HD PRO 100 17.474 8.512 -11.148 954 QB PRO 100 QB PRO 100 17.775 5.058 -12.547 955 QG PRO 100 QG PRO 100 18.535 7.188 -12.945 956 QD PRO 100 QD PRO 100 18.319 8.355 -10.977 957 HA PRO 101 HA PRO 101 20.493 2.955 -8.570 958 1HB PRO 101 1HB PRO 101 19.879 0.326 -8.997 959 2HB PRO 101 2HB PRO 101 19.222 1.260 -7.668 960 1HG PRO 101 2HG PRO 101 17.168 0.957 -8.672 961 2HG PRO 101 1HG PRO 101 17.896 0.410 -10.169 962 1HD PRO 101 1HD PRO 101 17.457 2.469 -11.093 963 2HD PRO 101 2HD PRO 101 16.836 3.051 -9.561 964 QB PRO 101 QB PRO 101 19.550 0.793 -8.332 965 QG PRO 101 QG PRO 101 17.532 0.684 -9.421 966 QD PRO 101 QD PRO 101 17.147 2.760 -10.327 967 H ARG 102 H ARG 102 21.837 0.644 -9.242 968 HA ARG 102 HA ARG 102 23.016 1.624 -11.695 969 1HB ARG 102 1HB ARG 102 24.197 0.917 -9.323 970 2HB ARG 102 2HB ARG 102 24.301 -0.617 -10.165 971 1HG ARG 102 1HG ARG 102 25.219 2.005 -11.424 972 2HG ARG 102 2HG ARG 102 26.289 0.995 -10.474 973 1HD ARG 102 1HD ARG 102 26.705 -0.229 -12.341 974 2HD ARG 102 2HD ARG 102 25.047 -0.793 -12.294 975 HE ARG 102 HE ARG 102 24.905 1.741 -13.483 976 1HH1 ARG 102 1HH1 ARG 102 26.564 -1.305 -14.206 977 2HH1 ARG 102 2HH1 ARG 102 26.570 -1.039 -15.918 978 2HH2 ARG 102 HH2 ARG 102 25.593 0.965 -16.798 979 QB ARG 102 QB ARG 102 24.249 0.150 -9.744 980 QG ARG 102 QG ARG 102 25.754 1.500 -10.949 981 QD ARG 102 QD ARG 102 25.876 -0.511 -12.318 982 QH1 ARG 102 QH1 ARG 102 26.567 -1.172 -15.062 983 H PHE 103 H PHE 103 21.327 -1.131 -10.218 984 HA PHE 103 HA PHE 103 21.922 -3.253 -11.702 985 1HB PHE 103 1HB PHE 103 19.052 -2.229 -11.330 986 2HB PHE 103 2HB PHE 103 19.573 -3.903 -11.315 987 HD1 PHE 103 HD1 PHE 103 21.429 -4.404 -9.433 988 HD2 PHE 103 HD2 PHE 103 18.583 -1.259 -9.297 989 HE1 PHE 103 HE1 PHE 103 21.650 -4.312 -6.934 990 HE2 PHE 103 HE2 PHE 103 18.803 -1.167 -6.799 991 HZ PHE 103 HZ PHE 103 20.334 -2.695 -5.647 992 QB PHE 103 QB PHE 103 19.312 -3.066 -11.322 993 QD PHE 103 QD PHE 103 20.006 -2.832 -9.365 994 QE PHE 103 QE PHE 103 20.226 -2.740 -6.866 995 QR PHE 103 QR PHE 103 20.116 -2.786 -8.116 996 H HIS 104 H HIS 104 20.845 -4.289 -13.629 997 HA HIS 104 HA HIS 104 21.079 -2.578 -15.840 998 1HB HIS 104 2HB HIS 104 20.852 -4.477 -17.127 999 2HB HIS 104 1HB HIS 104 19.684 -5.215 -16.050 1000 HD1 HIS 104 HD1 HIS 104 20.620 -6.459 -13.913 1001 HD2 HIS 104 HD2 HIS 104 23.546 -5.038 -16.562 1002 HE1 HIS 104 HE1 HIS 104 22.801 -7.606 -13.252 1003 QB HIS 104 QB HIS 104 20.268 -4.846 -16.589 1004 H ASP 105 H ASP 105 19.526 -1.627 -17.190 1005 HA ASP 105 HA ASP 105 16.806 -2.198 -16.922 1006 1HB ASP 105 1HB ASP 105 17.825 -0.369 -14.991 1007 2HB ASP 105 2HB ASP 105 17.013 0.626 -16.184 1008 HD2 ASP 105 HD2 ASP 105 15.266 -0.615 -13.285 1009 QB ASP 105 QB ASP 105 17.419 0.128 -15.588 No H/Q in entry = 1009 Start of MODEL 20 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.617 0.943 -1.300 3 1HB LEU 7 1HB LEU 7 2.703 -1.971 -0.699 4 2HB LEU 7 2HB LEU 7 3.267 -1.448 -2.274 5 HG LEU 7 HG LEU 7 4.310 -0.169 0.250 6 1HD1 LEU 7 1HD1 LEU 7 4.510 -2.744 0.229 7 2HD1 LEU 7 2HD1 LEU 7 5.707 -2.490 -1.063 8 3HD1 LEU 7 3HD1 LEU 7 5.969 -1.774 0.545 9 1HD2 LEU 7 1HD2 LEU 7 5.400 -0.456 -2.562 10 2HD2 LEU 7 2HD2 LEU 7 4.811 1.028 -1.775 11 3HD2 LEU 7 3HD2 LEU 7 6.296 0.240 -1.190 12 MD1 LEU 7 MD1 LEU 7 5.395 -2.336 -0.096 13 MD2 LEU 7 MD2 LEU 7 5.502 0.270 -1.842 14 QB LEU 7 QB LEU 7 2.985 -1.710 -1.487 15 QD LEU 7 QD LEU 7 5.449 -1.033 -0.969 16 H SER 8 H SER 8 2.647 -0.324 -3.752 17 HA SER 8 HA SER 8 0.397 -1.310 -4.790 18 1HB SER 8 1HB SER 8 -1.046 0.443 -4.155 19 2HB SER 8 2HB SER 8 0.164 1.681 -4.425 20 HG SER 8 HG SER 8 -1.533 1.604 -6.083 21 QB SER 8 QB SER 8 -0.441 1.062 -4.290 22 H LEU 9 H LEU 9 0.113 -0.282 -7.297 23 HA LEU 9 HA LEU 9 2.426 -0.955 -8.591 24 1HB LEU 9 2HB LEU 9 1.387 -0.249 -10.550 25 2HB LEU 9 1HB LEU 9 0.500 1.031 -9.747 26 HG LEU 9 HG LEU 9 -1.083 -0.460 -8.837 27 1HD1 LEU 9 1HD1 LEU 9 -0.580 -0.399 -11.621 28 2HD1 LEU 9 2HD1 LEU 9 -1.082 -2.058 -11.219 29 3HD1 LEU 9 3HD1 LEU 9 -2.123 -0.682 -10.781 30 1HD2 LEU 9 1HD2 LEU 9 1.090 -2.377 -8.963 31 2HD2 LEU 9 2HD2 LEU 9 -0.383 -2.379 -7.964 32 3HD2 LEU 9 3HD2 LEU 9 -0.421 -3.062 -9.607 33 MD1 LEU 9 MD1 LEU 9 -1.262 -1.047 -11.207 34 MD2 LEU 9 MD2 LEU 9 0.095 -2.606 -8.844 35 QB LEU 9 QB LEU 9 0.944 0.391 -10.149 36 QD LEU 9 QD LEU 9 -0.583 -1.826 -10.026 37 H THR 10 H THR 10 1.364 2.230 -7.333 38 HA THR 10 HA THR 10 3.139 3.895 -8.568 39 HB THR 10 HB THR 10 1.940 3.787 -5.767 40 HG1 THR 10 HG1 THR 10 0.506 5.175 -6.857 41 1HG2 THR 10 1HG2 THR 10 3.679 5.950 -7.053 42 2HG2 THR 10 2HG2 THR 10 2.515 6.297 -5.751 43 3HG2 THR 10 3HG2 THR 10 3.890 5.208 -5.448 44 MG THR 10 MG THR 10 3.362 5.818 -6.084 45 H GLN 11 H GLN 11 3.827 2.733 -5.214 46 HA GLN 11 HA GLN 11 6.501 3.312 -5.407 47 1HB GLN 11 1HB GLN 11 4.705 2.005 -3.526 48 2HB GLN 11 2HB GLN 11 6.230 1.144 -3.579 49 1HG GLN 11 1HG GLN 11 5.982 4.166 -3.205 50 2HG GLN 11 2HG GLN 11 6.178 3.026 -1.888 51 2HE2 GLN 11 1HE2 GLN 11 7.979 4.975 -2.128 52 1HE2 GLN 11 2HE2 GLN 11 9.511 4.393 -2.688 53 QB GLN 11 QB GLN 11 5.468 1.575 -3.553 54 QG GLN 11 QG GLN 11 6.080 3.596 -2.547 55 QE GLN 11 QE GLN 11 8.745 4.684 -2.408 56 H LEU 12 H LEU 12 4.656 0.419 -6.377 57 HA LEU 12 HA LEU 12 6.807 -1.344 -6.610 58 1HB LEU 12 1HB LEU 12 4.212 -1.663 -6.696 59 2HB LEU 12 2HB LEU 12 4.423 -1.433 -8.420 60 HG LEU 12 HG LEU 12 4.364 -3.804 -7.792 61 1HD1 LEU 12 1HD1 LEU 12 5.852 -2.751 -9.686 62 2HD1 LEU 12 2HD1 LEU 12 7.189 -3.345 -8.671 63 3HD1 LEU 12 3HD1 LEU 12 5.967 -4.483 -9.288 64 1HD2 LEU 12 1HD2 LEU 12 5.380 -3.502 -5.529 65 2HD2 LEU 12 2HD2 LEU 12 6.055 -4.856 -6.466 66 3HD2 LEU 12 3HD2 LEU 12 6.966 -3.334 -6.318 67 MD1 LEU 12 MD1 LEU 12 6.336 -3.526 -9.215 68 MD2 LEU 12 MD2 LEU 12 6.134 -3.897 -6.104 69 QB LEU 12 QB LEU 12 4.317 -1.548 -7.558 70 QD LEU 12 QD LEU 12 6.235 -3.712 -7.659 71 H SER 13 H SER 13 6.093 1.557 -8.296 72 HA SER 13 HA SER 13 8.196 0.913 -10.150 73 1HB SER 13 1HB SER 13 5.496 0.771 -10.970 74 2HB SER 13 2HB SER 13 6.047 2.327 -11.557 75 HG SER 13 HG SER 13 8.047 0.817 -12.219 76 QB SER 13 QB SER 13 5.772 1.549 -11.264 77 H SER 14 H SER 14 8.127 2.572 -7.807 78 HA SER 14 HA SER 14 8.288 4.641 -7.075 79 1HB SER 14 1HB SER 14 10.276 4.062 -9.012 80 2HB SER 14 2HB SER 14 9.802 5.719 -9.331 81 HG SER 14 HG SER 14 10.114 6.110 -6.970 82 QB SER 14 QB SER 14 10.039 4.890 -9.172 83 H GLY 15 H GLY 15 5.894 4.192 -8.783 84 1HA GLY 15 1HA GLY 15 4.168 5.615 -9.287 85 2HA GLY 15 2HA GLY 15 5.268 6.979 -9.299 86 QA GLY 15 QA GLY 15 4.718 6.297 -9.293 87 H ASN 16 H ASN 16 4.928 3.839 -11.117 88 HA ASN 16 HA ASN 16 5.105 5.444 -13.540 89 1HB ASN 16 1HB ASN 16 7.176 3.884 -12.776 90 2HB ASN 16 2HB ASN 16 6.197 2.621 -13.496 91 2HD2 ASN 16 1HD2 ASN 16 8.731 3.541 -14.389 92 1HD2 ASN 16 2HD2 ASN 16 8.562 4.182 -15.990 93 QB ASN 16 QB ASN 16 6.686 3.253 -13.136 94 QD ASN 16 QD ASN 16 8.647 3.862 -15.189 95 HA PRO 17 HA PRO 17 1.403 2.960 -13.907 96 1HB PRO 17 1HB PRO 17 0.111 4.563 -15.704 97 2HB PRO 17 2HB PRO 17 -0.010 4.777 -13.969 98 1HG PRO 17 1HG PRO 17 1.518 6.375 -15.931 99 2HG PRO 17 2HG PRO 17 1.041 6.803 -14.300 100 1HD PRO 17 1HD PRO 17 3.651 5.988 -15.168 101 2HD PRO 17 2HD PRO 17 3.145 6.304 -13.520 102 QB PRO 17 QB PRO 17 0.051 4.670 -14.836 103 QG PRO 17 QG PRO 17 1.279 6.590 -15.116 104 QD PRO 17 QD PRO 17 3.398 6.146 -14.344 105 H VAL 18 H VAL 18 3.880 3.592 -16.009 106 HA VAL 18 HA VAL 18 3.098 2.778 -18.441 107 HB VAL 18 HB VAL 18 5.344 3.428 -17.941 108 1HG1 VAL 18 1HG1 VAL 18 5.273 2.169 -15.654 109 2HG1 VAL 18 2HG1 VAL 18 5.938 0.806 -16.585 110 3HG1 VAL 18 3HG1 VAL 18 6.824 2.348 -16.509 111 1HG2 VAL 18 1HG2 VAL 18 4.806 0.831 -19.262 112 2HG2 VAL 18 2HG2 VAL 18 5.619 2.290 -19.878 113 3HG2 VAL 18 3HG2 VAL 18 6.508 1.144 -18.846 114 MG1 VAL 18 MG1 VAL 18 6.012 1.774 -16.250 115 MG2 VAL 18 MG2 VAL 18 5.645 1.422 -19.328 116 QG VAL 18 QG VAL 18 5.828 1.598 -17.789 117 H TYR 19 H TYR 19 3.912 0.589 -15.664 118 HA TYR 19 HA TYR 19 3.375 -1.785 -17.035 119 1HB TYR 19 1HB TYR 19 3.399 -0.758 -14.152 120 2HB TYR 19 2HB TYR 19 2.921 -2.417 -14.451 121 HD1 TYR 19 HD1 TYR 19 5.357 -1.211 -16.806 122 HD2 TYR 19 HD2 TYR 19 4.906 -2.899 -12.901 123 HE1 TYR 19 HE1 TYR 19 7.800 -1.914 -16.820 124 HE2 TYR 19 HE2 TYR 19 7.350 -3.596 -12.928 125 HH TYR 19 HH TYR 19 9.463 -2.655 -15.598 126 QB TYR 19 QB TYR 19 3.160 -1.587 -14.302 127 QD TYR 19 QD TYR 19 5.131 -2.055 -14.854 128 QE TYR 19 QE TYR 19 7.575 -2.755 -14.874 129 QR TYR 19 QR TYR 19 6.353 -2.405 -14.864 130 H GLU 20 H GLU 20 1.274 0.472 -15.188 131 HA GLU 20 HA GLU 20 -0.894 -1.116 -14.849 132 1HB GLU 20 1HB GLU 20 -0.282 1.663 -14.687 133 2HB GLU 20 2HB GLU 20 -1.744 1.549 -15.647 134 1HG GLU 20 1HG GLU 20 -1.801 -0.260 -13.314 135 2HG GLU 20 2HG GLU 20 -1.588 1.415 -12.846 136 HE2 GLU 20 HE2 GLU 20 -3.583 2.656 -12.960 137 QB GLU 20 QB GLU 20 -1.013 1.606 -15.166 138 QG GLU 20 QG GLU 20 -1.694 0.577 -13.080 139 H LYS 21 H LYS 21 0.163 0.666 -17.789 140 HA LYS 21 HA LYS 21 -2.065 0.481 -19.336 141 1HB LYS 21 1HB LYS 21 0.666 1.082 -19.688 142 2HB LYS 21 2HB LYS 21 0.303 -0.145 -20.885 143 1HG LYS 21 1HG LYS 21 -1.673 1.187 -21.652 144 2HG LYS 21 2HG LYS 21 -1.312 2.413 -20.453 145 1HD LYS 21 1HD LYS 21 0.633 3.139 -21.571 146 2HD LYS 21 2HD LYS 21 0.866 1.606 -22.387 147 1HE LYS 21 1HE LYS 21 -1.584 2.352 -23.411 148 2HE LYS 21 2HE LYS 21 -0.850 3.924 -23.160 149 QB LYS 21 QB LYS 21 0.484 0.468 -20.286 150 QD LYS 21 QD LYS 21 0.750 2.372 -21.979 151 QG LYS 21 QG LYS 21 -1.493 1.800 -21.053 152 QE LYS 21 QE LYS 21 -1.217 3.138 -23.285 153 QZ LYS 21 QZ LYS 21 0.711 2.941 -24.669 154 H TYR 22 H TYR 22 0.615 -1.982 -19.286 155 HA TYR 22 HA TYR 22 -0.748 -3.868 -20.793 156 1HB TYR 22 1HB TYR 22 1.181 -4.338 -18.443 157 2HB TYR 22 2HB TYR 22 1.033 -5.334 -19.877 158 HD1 TYR 22 HD1 TYR 22 1.064 -3.285 -22.035 159 HD2 TYR 22 HD2 TYR 22 3.398 -3.586 -18.462 160 HE1 TYR 22 HE1 TYR 22 2.936 -1.966 -23.138 161 HE2 TYR 22 HE2 TYR 22 5.263 -2.266 -19.577 162 HH TYR 22 HH TYR 22 4.929 -0.391 -22.020 163 QB TYR 22 QB TYR 22 1.107 -4.836 -19.160 164 QD TYR 22 QD TYR 22 2.231 -3.436 -20.248 165 QE TYR 22 QE TYR 22 4.100 -2.116 -21.358 166 QR TYR 22 QR TYR 22 3.165 -2.776 -20.803 167 H TYR 23 H TYR 23 -0.525 -3.470 -17.194 168 HA TYR 23 HA TYR 23 -1.920 -5.729 -16.475 169 1HB TYR 23 1HB TYR 23 -0.892 -4.413 -14.754 170 2HB TYR 23 2HB TYR 23 -1.443 -2.905 -15.454 171 HD1 TYR 23 HD1 TYR 23 -3.927 -2.299 -15.232 172 HD2 TYR 23 HD2 TYR 23 -2.081 -5.436 -12.983 173 HE1 TYR 23 HE1 TYR 23 -5.828 -2.219 -13.546 174 HE2 TYR 23 HE2 TYR 23 -3.989 -5.345 -11.305 175 HH TYR 23 HH TYR 23 -6.494 -2.872 -11.557 176 QB TYR 23 QB TYR 23 -1.167 -3.659 -15.104 177 QD TYR 23 QD TYR 23 -3.004 -3.867 -14.107 178 QE TYR 23 QE TYR 23 -4.908 -3.782 -12.426 179 QR TYR 23 QR TYR 23 -3.956 -3.825 -13.267 180 H ARG 24 H ARG 24 -3.081 -2.730 -17.944 181 HA ARG 24 HA ARG 24 -5.750 -3.121 -17.101 182 1HB ARG 24 1HB ARG 24 -4.735 -0.880 -17.718 183 2HB ARG 24 2HB ARG 24 -4.668 -1.401 -19.390 184 1HG ARG 24 1HG ARG 24 -7.321 -1.645 -17.990 185 2HG ARG 24 2HG ARG 24 -6.772 -0.026 -18.376 186 1HD ARG 24 1HD ARG 24 -6.287 -1.674 -20.693 187 2HD ARG 24 2HD ARG 24 -7.921 -1.998 -20.151 188 HE ARG 24 HE ARG 24 -7.769 0.764 -20.044 189 1HH1 ARG 24 1HH1 ARG 24 -7.116 -1.615 -22.587 190 2HH1 ARG 24 2HH1 ARG 24 -7.528 -0.534 -23.876 191 2HH2 ARG 24 HH2 ARG 24 -8.228 1.698 -23.358 192 QB ARG 24 QB ARG 24 -4.701 -1.140 -18.554 193 QG ARG 24 QG ARG 24 -7.046 -0.835 -18.183 194 QD ARG 24 QD ARG 24 -7.104 -1.836 -20.422 195 QH1 ARG 24 QH1 ARG 24 -7.322 -1.075 -23.231 196 H GLN 25 H GLN 25 -3.710 -4.085 -19.848 197 HA GLN 25 HA GLN 25 -5.742 -4.654 -21.647 198 1HB GLN 25 1HB GLN 25 -2.853 -5.331 -21.335 199 2HB GLN 25 2HB GLN 25 -3.773 -6.432 -22.342 200 1HG GLN 25 1HG GLN 25 -4.669 -3.921 -23.197 201 2HG GLN 25 2HG GLN 25 -2.973 -3.632 -22.863 202 2HE2 GLN 25 1HE2 GLN 25 -1.961 -6.195 -23.387 203 1HE2 GLN 25 2HE2 GLN 25 -2.050 -6.516 -25.087 204 QB GLN 25 QB GLN 25 -3.313 -5.882 -21.839 205 QG GLN 25 QG GLN 25 -3.821 -3.776 -23.030 206 QE GLN 25 QE GLN 25 -2.006 -6.356 -24.237 207 H VAL 26 H VAL 26 -4.405 -6.426 -18.868 208 HA VAL 26 HA VAL 26 -5.750 -8.868 -19.616 209 HB VAL 26 HB VAL 26 -4.485 -9.854 -18.030 210 1HG1 VAL 26 1HG1 VAL 26 -3.054 -8.255 -19.506 211 2HG1 VAL 26 2HG1 VAL 26 -2.824 -7.340 -17.996 212 3HG1 VAL 26 3HG1 VAL 26 -2.304 -9.040 -18.096 213 1HG2 VAL 26 1HG2 VAL 26 -5.156 -7.457 -16.386 214 2HG2 VAL 26 2HG2 VAL 26 -5.246 -9.189 -15.984 215 3HG2 VAL 26 3HG2 VAL 26 -3.676 -8.351 -15.963 216 MG1 VAL 26 MG1 VAL 26 -2.727 -8.212 -18.533 217 MG2 VAL 26 MG2 VAL 26 -4.692 -8.332 -16.111 218 QG VAL 26 QG VAL 26 -3.710 -8.272 -17.322 219 H GLU 27 H GLU 27 -6.528 -5.881 -18.093 220 HA GLU 27 HA GLU 27 -8.330 -6.886 -16.188 221 1HB GLU 27 1HB GLU 27 -7.284 -4.603 -16.127 222 2HB GLU 27 2HB GLU 27 -8.252 -4.139 -17.512 223 1HG GLU 27 1HG GLU 27 -10.147 -5.216 -15.743 224 2HG GLU 27 2HG GLU 27 -9.036 -4.381 -14.675 225 HE2 GLU 27 HE2 GLU 27 -8.414 -2.212 -15.659 226 QB GLU 27 QB GLU 27 -7.768 -4.371 -16.819 227 QG GLU 27 QG GLU 27 -9.591 -4.798 -15.209 228 H ALA 28 H ALA 28 -10.642 -7.031 -16.265 229 HA ALA 28 HA ALA 28 -11.700 -7.062 -19.009 230 1HB ALA 28 3HB ALA 28 -13.060 -8.919 -18.379 231 2HB ALA 28 1HB ALA 28 -11.434 -9.277 -17.751 232 3HB ALA 28 2HB ALA 28 -12.703 -8.690 -16.651 233 MB ALA 28 MB ALA 28 -12.399 -8.962 -17.594 234 H GLY 29 H GLY 29 -13.843 -6.235 -19.335 235 1HA GLY 29 1HA GLY 29 -15.568 -4.840 -18.980 236 2HA GLY 29 2HA GLY 29 -15.478 -5.248 -17.278 237 QA GLY 29 QA GLY 29 -15.523 -5.044 -18.129 238 H ASN 30 H ASN 30 -16.168 -2.829 -17.235 239 HA ASN 30 HA ASN 30 -13.747 -1.207 -17.341 240 1HB ASN 30 1HB ASN 30 -16.650 -0.629 -17.940 241 2HB ASN 30 2HB ASN 30 -15.713 0.670 -17.230 242 2HD2 ASN 30 1HD2 ASN 30 -14.702 1.956 -18.560 243 1HD2 ASN 30 2HD2 ASN 30 -14.185 1.606 -20.176 244 QB ASN 30 QB ASN 30 -16.181 0.021 -17.585 245 QD ASN 30 QD ASN 30 -14.443 1.781 -19.368 246 H THR 31 H THR 31 -14.106 -2.829 -15.093 247 HA THR 31 HA THR 31 -15.376 -1.098 -13.086 248 HB THR 31 HB THR 31 -15.692 -3.107 -11.821 249 HG1 THR 31 HG1 THR 31 -13.825 -4.270 -13.765 250 1HG2 THR 31 1HG2 THR 31 -16.953 -3.116 -14.106 251 2HG2 THR 31 2HG2 THR 31 -15.689 -4.243 -14.653 252 3HG2 THR 31 3HG2 THR 31 -16.750 -4.687 -13.294 253 MG THR 31 MG THR 31 -16.464 -4.015 -14.018 254 H GLY 32 H GLY 32 -12.317 -2.203 -14.343 255 1HA GLY 32 1HA GLY 32 -10.289 -1.253 -13.809 256 2HA GLY 32 2HA GLY 32 -10.959 -0.600 -12.327 257 QA GLY 32 QA GLY 32 -10.624 -0.926 -13.068 258 H ARG 33 H ARG 33 -11.813 -3.923 -12.887 259 HA ARG 33 HA ARG 33 -9.767 -4.672 -10.960 260 1HB ARG 33 1HB ARG 33 -12.563 -5.785 -11.483 261 2HB ARG 33 2HB ARG 33 -11.397 -6.630 -10.483 262 1HG ARG 33 1HG ARG 33 -11.568 -5.113 -8.748 263 2HG ARG 33 2HG ARG 33 -11.762 -3.740 -9.820 264 1HD ARG 33 1HD ARG 33 -14.102 -5.190 -10.290 265 2HD ARG 33 2HD ARG 33 -13.831 -5.466 -8.581 266 HE ARG 33 HE ARG 33 -13.416 -2.728 -8.890 267 1HH1 ARG 33 1HH1 ARG 33 -16.090 -4.935 -9.619 268 2HH1 ARG 33 2HH1 ARG 33 -17.311 -3.724 -9.409 269 2HH2 ARG 33 HH2 ARG 33 -16.662 -1.494 -8.818 270 QB ARG 33 QB ARG 33 -11.980 -6.207 -10.983 271 QG ARG 33 QG ARG 33 -11.665 -4.426 -9.284 272 QD ARG 33 QD ARG 33 -13.967 -5.328 -9.435 273 QH1 ARG 33 QH1 ARG 33 -16.701 -4.329 -9.514 274 H VAL 34 H VAL 34 -8.575 -6.651 -11.313 275 HA VAL 34 HA VAL 34 -8.560 -7.463 -14.103 276 HB VAL 34 HB VAL 34 -6.686 -8.174 -11.840 277 1HG1 VAL 34 1HG1 VAL 34 -6.759 -8.748 -14.765 278 2HG1 VAL 34 2HG1 VAL 34 -5.177 -8.347 -14.053 279 3HG1 VAL 34 3HG1 VAL 34 -6.117 -9.719 -13.418 280 1HG2 VAL 34 1HG2 VAL 34 -7.067 -5.657 -13.124 281 2HG2 VAL 34 2HG2 VAL 34 -5.810 -6.129 -11.956 282 3HG2 VAL 34 3HG2 VAL 34 -5.525 -6.334 -13.701 283 MG1 VAL 34 MG1 VAL 34 -6.017 -8.938 -14.079 284 MG2 VAL 34 MG2 VAL 34 -6.134 -6.040 -12.927 285 QG VAL 34 QG VAL 34 -6.075 -7.489 -13.503 286 H LEU 35 H LEU 35 -9.679 -9.214 -14.770 287 HA LEU 35 HA LEU 35 -11.064 -10.844 -12.971 288 1HB LEU 35 1HB LEU 35 -10.790 -10.496 -15.816 289 2HB LEU 35 2HB LEU 35 -10.784 -12.204 -15.423 290 HG LEU 35 HG LEU 35 -12.913 -10.305 -14.416 291 1HD1 LEU 35 1HD1 LEU 35 -12.483 -11.044 -17.101 292 2HD1 LEU 35 2HD1 LEU 35 -13.846 -12.032 -16.521 293 3HD1 LEU 35 3HD1 LEU 35 -13.915 -10.258 -16.393 294 1HD2 LEU 35 1HD2 LEU 35 -12.347 -12.738 -13.469 295 2HD2 LEU 35 2HD2 LEU 35 -14.008 -12.109 -13.582 296 3HD2 LEU 35 3HD2 LEU 35 -13.388 -13.212 -14.833 297 MD1 LEU 35 MD1 LEU 35 -13.415 -11.111 -16.672 298 MD2 LEU 35 MD2 LEU 35 -13.248 -12.686 -13.961 299 QB LEU 35 QB LEU 35 -10.787 -11.350 -15.619 300 QD LEU 35 QD LEU 35 -13.331 -11.899 -15.316 301 H ALA 36 H ALA 36 -7.743 -10.729 -13.778 302 HA ALA 36 HA ALA 36 -6.063 -11.977 -13.006 303 1HB ALA 36 1HB ALA 36 -7.823 -12.609 -11.178 304 2HB ALA 36 2HB ALA 36 -7.952 -14.143 -12.072 305 3HB ALA 36 3HB ALA 36 -6.388 -13.642 -11.386 306 MB ALA 36 MB ALA 36 -7.388 -13.465 -11.545 307 H LEU 37 H LEU 37 -8.737 -14.085 -14.285 308 HA LEU 37 HA LEU 37 -7.256 -16.020 -15.451 309 1HB LEU 37 1HB LEU 37 -9.882 -14.765 -15.983 310 2HB LEU 37 2HB LEU 37 -9.213 -15.725 -17.288 311 HG LEU 37 HG LEU 37 -8.858 -17.498 -15.327 312 1HD1 LEU 37 1HD1 LEU 37 -10.867 -15.561 -14.257 313 2HD1 LEU 37 2HD1 LEU 37 -11.115 -17.299 -13.967 314 3HD1 LEU 37 3HD1 LEU 37 -9.620 -16.509 -13.412 315 1HD2 LEU 37 1HD2 LEU 37 -10.326 -17.476 -17.504 316 2HD2 LEU 37 2HD2 LEU 37 -10.605 -18.684 -16.228 317 3HD2 LEU 37 3HD2 LEU 37 -11.663 -17.258 -16.349 318 MD1 LEU 37 MD1 LEU 37 -10.534 -16.457 -13.879 319 MD2 LEU 37 MD2 LEU 37 -10.865 -17.806 -16.694 320 QB LEU 37 QB LEU 37 -9.548 -15.245 -16.636 321 QD LEU 37 QD LEU 37 -10.699 -17.131 -15.286 322 H ASP 38 H ASP 38 -8.149 -12.834 -16.942 323 HA ASP 38 HA ASP 38 -6.846 -13.265 -19.312 324 1HB ASP 38 1HB ASP 38 -7.968 -11.006 -17.819 325 2HB ASP 38 2HB ASP 38 -6.532 -10.509 -18.691 326 HD2 ASP 38 HD2 ASP 38 -9.967 -11.162 -20.465 327 QB ASP 38 QB ASP 38 -7.250 -10.757 -18.255 328 H ALA 39 H ALA 39 -5.734 -11.893 -16.153 329 HA ALA 39 HA ALA 39 -3.265 -10.949 -16.866 330 1HB ALA 39 3HB ALA 39 -3.396 -10.496 -14.670 331 2HB ALA 39 2HB ALA 39 -3.009 -12.200 -14.329 332 3HB ALA 39 1HB ALA 39 -4.707 -11.683 -14.469 333 MB ALA 39 MB ALA 39 -3.704 -11.460 -14.489 334 H ALA 40 H ALA 40 -4.161 -14.309 -15.816 335 HA ALA 40 HA ALA 40 -1.624 -15.392 -16.016 336 1HB ALA 40 2HB ALA 40 -4.084 -16.964 -16.765 337 2HB ALA 40 3HB ALA 40 -2.708 -17.434 -15.739 338 3HB ALA 40 1HB ALA 40 -3.935 -16.304 -15.119 339 MB ALA 40 MB ALA 40 -3.576 -16.900 -15.874 340 H ALA 41 H ALA 41 -3.893 -14.346 -18.491 341 HA ALA 41 HA ALA 41 -2.742 -15.950 -20.564 342 1HB ALA 41 1HB ALA 41 -5.136 -14.755 -20.240 343 2HB ALA 41 3HB ALA 41 -4.454 -15.114 -21.844 344 3HB ALA 41 2HB ALA 41 -4.310 -13.476 -21.163 345 MB ALA 41 MB ALA 41 -4.634 -14.448 -21.083 346 H PHE 42 H PHE 42 -2.659 -12.443 -19.620 347 HA PHE 42 HA PHE 42 -0.910 -11.637 -21.602 348 1HB PHE 42 1HB PHE 42 -2.088 -10.014 -20.238 349 2HB PHE 42 2HB PHE 42 -1.600 -10.794 -18.747 350 HD1 PHE 42 HD1 PHE 42 -0.538 -8.542 -21.437 351 HD2 PHE 42 HD2 PHE 42 0.549 -10.331 -17.746 352 HE1 PHE 42 HE1 PHE 42 1.364 -6.919 -21.211 353 HE2 PHE 42 HE2 PHE 42 2.450 -8.708 -17.519 354 HZ PHE 42 HZ PHE 42 2.835 -7.021 -19.254 355 QB PHE 42 QB PHE 42 -1.844 -10.404 -19.492 356 QD PHE 42 QD PHE 42 0.006 -9.436 -19.591 357 QE PHE 42 QE PHE 42 1.907 -7.813 -19.365 358 QR PHE 42 QR PHE 42 0.956 -8.625 -19.478 359 H LEU 43 H LEU 43 -0.281 -12.999 -18.319 360 HA LEU 43 HA LEU 43 2.444 -12.524 -18.245 361 1HB LEU 43 1HB LEU 43 0.708 -14.660 -17.020 362 2HB LEU 43 2HB LEU 43 2.426 -14.544 -16.695 363 HG LEU 43 HG LEU 43 0.431 -12.328 -16.155 364 1HD1 LEU 43 1HD1 LEU 43 1.332 -14.644 -14.508 365 2HD1 LEU 43 2HD1 LEU 43 1.128 -13.071 -13.700 366 3HD1 LEU 43 3HD1 LEU 43 -0.240 -13.812 -14.564 367 1HD2 LEU 43 1HD2 LEU 43 3.271 -12.321 -16.303 368 2HD2 LEU 43 2HD2 LEU 43 2.176 -11.007 -15.811 369 3HD2 LEU 43 3HD2 LEU 43 2.812 -12.138 -14.593 370 MD1 LEU 43 MD1 LEU 43 0.740 -13.843 -14.257 371 MD2 LEU 43 MD2 LEU 43 2.753 -11.822 -15.569 372 QB LEU 43 QB LEU 43 1.567 -14.602 -16.857 373 QD LEU 43 QD LEU 43 1.746 -12.832 -14.913 374 H LYS 44 H LYS 44 0.595 -15.349 -19.555 375 HA LYS 44 HA LYS 44 2.715 -16.927 -20.253 376 1HB LYS 44 1HB LYS 44 -0.087 -16.580 -21.184 377 2HB LYS 44 2HB LYS 44 0.984 -17.453 -22.261 378 1HG LYS 44 1HG LYS 44 1.658 -18.588 -19.836 379 2HG LYS 44 2HG LYS 44 -0.034 -18.223 -19.565 380 1HD LYS 44 1HD LYS 44 0.673 -19.502 -22.193 381 2HD LYS 44 2HD LYS 44 0.794 -20.511 -20.766 382 1HE LYS 44 1HE LYS 44 -1.465 -20.716 -20.628 383 2HE LYS 44 2HE LYS 44 -1.682 -18.977 -20.660 384 QB LYS 44 QB LYS 44 0.448 -17.017 -21.723 385 QD LYS 44 QD LYS 44 0.734 -20.007 -21.480 386 QG LYS 44 QG LYS 44 0.812 -18.405 -19.701 387 QE LYS 44 QE LYS 44 -1.574 -19.847 -20.644 388 QZ LYS 44 QZ LYS 44 -1.892 -19.455 -22.931 389 H LYS 45 H LYS 45 1.781 -13.810 -21.525 390 HA LYS 45 HA LYS 45 3.174 -14.179 -24.012 391 1HB LYS 45 1HB LYS 45 2.164 -11.587 -22.824 392 2HB LYS 45 2HB LYS 45 2.495 -11.946 -24.507 393 1HG LYS 45 1HG LYS 45 0.695 -13.816 -24.288 394 2HG LYS 45 2HG LYS 45 0.246 -13.049 -22.777 395 1HD LYS 45 1HD LYS 45 -0.190 -10.910 -23.956 396 2HD LYS 45 2HD LYS 45 0.345 -11.610 -25.471 397 1HE LYS 45 1HE LYS 45 -1.702 -13.302 -24.240 398 2HE LYS 45 2HE LYS 45 -2.286 -11.657 -24.394 399 QB LYS 45 QB LYS 45 2.330 -11.766 -23.665 400 QD LYS 45 QD LYS 45 0.078 -11.260 -24.713 401 QG LYS 45 QG LYS 45 0.470 -13.433 -23.533 402 QE LYS 45 QE LYS 45 -1.994 -12.479 -24.317 403 QZ LYS 45 QZ LYS 45 -1.657 -12.204 -26.687 404 H SER 46 H SER 46 4.492 -14.520 -21.235 405 HA SER 46 HA SER 46 6.413 -12.372 -21.368 406 1HB SER 46 1HB SER 46 7.204 -13.175 -19.224 407 2HB SER 46 2HB SER 46 5.453 -13.137 -19.171 408 HG SER 46 HG SER 46 5.346 -15.314 -19.102 409 QB SER 46 QB SER 46 6.329 -13.156 -19.197 410 H GLY 47 H GLY 47 6.627 -15.984 -20.919 411 1HA GLY 47 1HA GLY 47 7.937 -16.776 -23.118 412 2HA GLY 47 2HA GLY 47 9.225 -16.011 -22.208 413 QA GLY 47 QA GLY 47 8.581 -16.394 -22.663 414 H LEU 48 H LEU 48 8.210 -16.642 -19.526 415 HA LEU 48 HA LEU 48 9.410 -19.126 -19.178 416 1HB LEU 48 1HB LEU 48 7.770 -17.283 -17.495 417 2HB LEU 48 2HB LEU 48 8.083 -18.904 -16.908 418 HG LEU 48 HG LEU 48 10.404 -17.272 -17.865 419 1HD1 LEU 48 1HD1 LEU 48 8.957 -16.828 -15.244 420 2HD1 LEU 48 2HD1 LEU 48 10.628 -16.307 -15.563 421 3HD1 LEU 48 3HD1 LEU 48 9.288 -15.639 -16.526 422 1HD2 LEU 48 1HD2 LEU 48 10.529 -19.698 -17.120 423 2HD2 LEU 48 2HD2 LEU 48 11.655 -18.562 -16.338 424 3HD2 LEU 48 3HD2 LEU 48 10.198 -19.107 -15.474 425 MD1 LEU 48 MD1 LEU 48 9.624 -16.258 -15.778 426 MD2 LEU 48 MD2 LEU 48 10.794 -19.122 -16.311 427 QB LEU 48 QB LEU 48 7.926 -18.093 -17.202 428 QD LEU 48 QD LEU 48 10.209 -17.690 -16.044 429 HA PRO 49 HA PRO 49 6.229 -21.964 -19.849 430 1HB PRO 49 1HB PRO 49 6.688 -23.911 -17.988 431 2HB PRO 49 2HB PRO 49 7.610 -23.767 -19.471 432 1HG PRO 49 2HG PRO 49 9.425 -23.323 -18.119 433 2HG PRO 49 1HG PRO 49 8.410 -23.057 -16.715 434 1HD PRO 49 1HD PRO 49 8.710 -20.793 -16.971 435 2HD PRO 49 2HD PRO 49 9.628 -21.055 -18.441 436 QB PRO 49 QB PRO 49 7.149 -23.839 -18.730 437 QG PRO 49 QG PRO 49 8.917 -23.190 -17.417 438 QD PRO 49 QD PRO 49 9.169 -20.924 -17.706 439 H ASP 50 H ASP 50 4.724 -23.674 -18.302 440 HA ASP 50 HA ASP 50 3.067 -21.661 -17.061 441 1HB ASP 50 1HB ASP 50 2.179 -23.377 -18.737 442 2HB ASP 50 2HB ASP 50 2.489 -24.620 -17.542 443 HD2 ASP 50 HD2 ASP 50 0.047 -24.200 -18.533 444 QB ASP 50 QB ASP 50 2.334 -23.999 -18.139 445 H LEU 51 H LEU 51 4.966 -24.635 -16.429 446 HA LEU 51 HA LEU 51 4.000 -25.222 -13.886 447 1HB LEU 51 2HB LEU 51 5.668 -26.405 -15.614 448 2HB LEU 51 1HB LEU 51 5.514 -26.855 -13.927 449 HG LEU 51 HG LEU 51 7.442 -25.092 -13.577 450 1HD1 LEU 51 1HD1 LEU 51 7.599 -27.470 -13.054 451 2HD1 LEU 51 2HD1 LEU 51 7.925 -27.839 -14.765 452 3HD1 LEU 51 3HD1 LEU 51 9.094 -26.885 -13.822 453 1HD2 LEU 51 1HD2 LEU 51 7.175 -24.660 -16.212 454 2HD2 LEU 51 2HD2 LEU 51 8.715 -24.465 -15.341 455 3HD2 LEU 51 3HD2 LEU 51 8.392 -25.958 -16.255 456 MD1 LEU 51 MD1 LEU 51 8.206 -27.398 -13.880 457 MD2 LEU 51 MD2 LEU 51 8.094 -25.028 -15.936 458 QB LEU 51 QB LEU 51 5.591 -26.630 -14.770 459 QD LEU 51 QD LEU 51 8.150 -26.213 -14.908 460 H ILE 52 H ILE 52 6.879 -23.257 -14.907 461 HA ILE 52 HA ILE 52 7.533 -22.489 -12.293 462 HB ILE 52 HB ILE 52 8.211 -21.503 -15.041 463 1HG1 ILE 52 1HG1 ILE 52 9.161 -23.594 -13.609 464 2HG1 ILE 52 2HG1 ILE 52 10.083 -22.730 -14.823 465 1HG2 ILE 52 1HG2 ILE 52 8.713 -20.114 -12.434 466 2HG2 ILE 52 2HG2 ILE 52 9.958 -20.070 -13.705 467 3HG2 ILE 52 3HG2 ILE 52 8.326 -19.440 -14.035 468 1HD1 ILE 52 1HD1 ILE 52 10.079 -21.686 -11.986 469 2HD1 ILE 52 2HD1 ILE 52 11.094 -23.089 -12.401 470 3HD1 ILE 52 3HD1 ILE 52 11.335 -21.536 -13.238 471 MG ILE 52 MG ILE 52 8.999 -19.875 -13.391 472 MD ILE 52 MD ILE 52 10.836 -22.104 -12.542 473 QG ILE 52 QG ILE 52 9.622 -23.162 -14.216 474 H LEU 53 H LEU 53 5.261 -21.221 -14.735 475 HA LEU 53 HA LEU 53 4.835 -18.733 -13.519 476 1HB LEU 53 1HB LEU 53 3.598 -20.393 -15.610 477 2HB LEU 53 2HB LEU 53 2.487 -19.314 -14.791 478 HG LEU 53 HG LEU 53 5.080 -18.411 -16.069 479 1HD1 LEU 53 1HD1 LEU 53 3.296 -19.425 -17.625 480 2HD1 LEU 53 2HD1 LEU 53 2.345 -17.968 -17.250 481 3HD1 LEU 53 3HD1 LEU 53 3.945 -17.814 -18.015 482 1HD2 LEU 53 1HD2 LEU 53 4.221 -16.970 -14.252 483 2HD2 LEU 53 2HD2 LEU 53 4.199 -16.171 -15.842 484 3HD2 LEU 53 3HD2 LEU 53 2.689 -16.798 -15.141 485 MD1 LEU 53 MD1 LEU 53 3.196 -18.403 -17.630 486 MD2 LEU 53 MD2 LEU 53 3.703 -16.646 -15.078 487 QB LEU 53 QB LEU 53 3.042 -19.853 -15.200 488 QD LEU 53 QD LEU 53 3.449 -17.524 -16.354 489 H GLY 54 H GLY 54 3.014 -21.867 -13.287 490 1HA GLY 54 1HA GLY 54 1.001 -21.236 -11.619 491 2HA GLY 54 2HA GLY 54 1.900 -22.737 -11.518 492 QA GLY 54 QA GLY 54 1.451 -21.986 -11.568 493 H LYS 55 H LYS 55 4.460 -21.753 -10.673 494 HA LYS 55 HA LYS 55 3.994 -21.549 -7.915 495 1HB LYS 55 1HB LYS 55 6.484 -21.141 -9.593 496 2HB LYS 55 2HB LYS 55 6.480 -21.140 -7.841 497 1HG LYS 55 1HG LYS 55 5.244 -23.451 -9.376 498 2HG LYS 55 2HG LYS 55 6.975 -23.388 -9.115 499 1HD LYS 55 1HD LYS 55 6.759 -24.046 -6.950 500 2HD LYS 55 2HD LYS 55 5.571 -22.799 -6.622 501 1HE LYS 55 1HE LYS 55 3.947 -24.380 -6.567 502 2HE LYS 55 2HE LYS 55 4.245 -24.734 -8.257 503 QB LYS 55 QB LYS 55 6.482 -21.140 -8.717 504 QD LYS 55 QD LYS 55 6.165 -23.423 -6.786 505 QG LYS 55 QG LYS 55 6.109 -23.420 -9.246 506 QE LYS 55 QE LYS 55 4.096 -24.557 -7.412 507 QZ LYS 55 QZ LYS 55 5.268 -26.508 -7.214 508 H ILE 56 H ILE 56 4.809 -19.141 -10.469 509 HA ILE 56 HA ILE 56 5.236 -16.984 -8.783 510 HB ILE 56 HB ILE 56 4.516 -17.387 -11.636 511 1HG1 ILE 56 1HG1 ILE 56 6.770 -16.162 -10.060 512 2HG1 ILE 56 2HG1 ILE 56 6.815 -17.486 -11.207 513 1HG2 ILE 56 1HG2 ILE 56 3.009 -15.570 -10.980 514 2HG2 ILE 56 2HG2 ILE 56 4.385 -14.670 -10.299 515 3HG2 ILE 56 3HG2 ILE 56 4.310 -14.991 -12.048 516 1HD1 ILE 56 1HD1 ILE 56 6.012 -15.716 -12.968 517 2HD1 ILE 56 2HD1 ILE 56 6.542 -14.518 -11.763 518 3HD1 ILE 56 3HD1 ILE 56 7.711 -15.678 -12.438 519 MG ILE 56 MG ILE 56 3.901 -15.077 -11.109 520 MD ILE 56 MD ILE 56 6.755 -15.304 -12.390 521 QG ILE 56 QG ILE 56 6.792 -16.824 -10.633 522 H TRP 57 H TRP 57 2.188 -18.010 -10.475 523 HA TRP 57 HA TRP 57 0.558 -16.062 -9.401 524 1HB TRP 57 1HB TRP 57 0.044 -17.663 -11.261 525 2HB TRP 57 2HB TRP 57 -0.234 -18.903 -10.054 526 HD1 TRP 57 HD1 TRP 57 -2.358 -18.303 -8.255 527 HE1 TRP 57 HE1 TRP 57 -4.679 -17.112 -8.652 528 HE3 TRP 57 HE3 TRP 57 -1.020 -15.976 -12.574 529 HZ2 TRP 57 HZ2 TRP 57 -5.673 -15.369 -10.681 530 HZ3 TRP 57 HZ3 TRP 57 -2.725 -14.548 -13.700 531 HH2 TRP 57 HH2 TRP 57 -4.983 -14.227 -12.821 532 QB TRP 57 QB TRP 57 -0.095 -18.283 -10.657 533 H ASP 58 H ASP 58 1.189 -19.451 -8.229 534 HA ASP 58 HA ASP 58 -0.339 -19.475 -6.050 535 1HB ASP 58 1HB ASP 58 1.584 -21.103 -7.033 536 2HB ASP 58 2HB ASP 58 2.503 -20.420 -5.707 537 HD2 ASP 58 HD2 ASP 58 -0.197 -23.020 -5.836 538 QB ASP 58 QB ASP 58 2.043 -20.762 -6.370 539 H LEU 59 H LEU 59 2.902 -17.936 -6.477 540 HA LEU 59 HA LEU 59 3.054 -17.117 -3.736 541 1HB LEU 59 1HB LEU 59 5.065 -17.667 -4.895 542 2HB LEU 59 2HB LEU 59 4.708 -16.543 -6.191 543 HG LEU 59 HG LEU 59 6.473 -15.908 -4.414 544 1HD1 LEU 59 1HD1 LEU 59 4.859 -14.433 -6.109 545 2HD1 LEU 59 2HD1 LEU 59 4.700 -13.592 -4.548 546 3HD1 LEU 59 3HD1 LEU 59 6.311 -13.852 -5.260 547 1HD2 LEU 59 1HD2 LEU 59 4.545 -16.437 -2.612 548 2HD2 LEU 59 2HD2 LEU 59 5.885 -15.303 -2.319 549 3HD2 LEU 59 3HD2 LEU 59 4.292 -14.687 -2.820 550 MD1 LEU 59 MD1 LEU 59 5.290 -13.959 -5.306 551 MD2 LEU 59 MD2 LEU 59 4.907 -15.475 -2.584 552 QB LEU 59 QB LEU 59 4.886 -17.105 -5.543 553 QD LEU 59 QD LEU 59 5.099 -14.717 -3.945 554 H ALA 60 H ALA 60 1.826 -15.838 -6.806 555 HA ALA 60 HA ALA 60 1.720 -13.136 -5.937 556 1HB ALA 60 2HB ALA 60 0.029 -14.435 -8.094 557 2HB ALA 60 1HB ALA 60 1.757 -14.079 -8.331 558 3HB ALA 60 3HB ALA 60 0.613 -12.756 -8.005 559 MB ALA 60 MB ALA 60 0.799 -13.757 -8.143 560 H ASP 61 H ASP 61 -0.958 -15.500 -6.634 561 HA ASP 61 HA ASP 61 -3.012 -14.211 -5.648 562 1HB ASP 61 1HB ASP 61 -2.931 -16.611 -6.492 563 2HB ASP 61 2HB ASP 61 -2.391 -17.107 -4.900 564 HD2 ASP 61 HD2 ASP 61 -4.482 -16.403 -3.102 565 QB ASP 61 QB ASP 61 -2.661 -16.859 -5.696 566 H THR 62 H THR 62 -3.686 -13.379 -3.643 567 HA THR 62 HA THR 62 -2.785 -14.555 -1.186 568 HB THR 62 HB THR 62 -1.629 -11.955 -2.261 569 HG1 THR 62 HG1 THR 62 -0.761 -14.298 -0.717 570 1HG2 THR 62 1HG2 THR 62 -2.666 -11.529 0.047 571 2HG2 THR 62 2HG2 THR 62 -1.632 -12.837 0.669 572 3HG2 THR 62 3HG2 THR 62 -0.895 -11.366 -0.008 573 MG THR 62 MG THR 62 -1.731 -11.911 0.236 574 H ASP 63 H ASP 63 -4.335 -11.774 -2.874 575 HA ASP 63 HA ASP 63 -5.822 -10.943 -0.711 576 1HB ASP 63 1HB ASP 63 -5.463 -10.028 -3.221 577 2HB ASP 63 2HB ASP 63 -6.990 -10.843 -3.492 578 HD2 ASP 63 HD2 ASP 63 -7.219 -8.466 -3.943 579 QB ASP 63 QB ASP 63 -6.226 -10.436 -3.357 580 H GLY 64 H GLY 64 -6.704 -13.075 -3.539 581 1HA GLY 64 1HA GLY 64 -8.274 -14.826 -1.921 582 2HA GLY 64 2HA GLY 64 -9.283 -13.730 -2.844 583 QA GLY 64 QA GLY 64 -8.779 -14.278 -2.382 584 H LYS 65 H LYS 65 -9.715 -14.183 -4.983 585 HA LYS 65 HA LYS 65 -7.924 -15.432 -6.707 586 1HB LYS 65 1HB LYS 65 -8.490 -17.664 -6.767 587 2HB LYS 65 2HB LYS 65 -8.547 -17.342 -5.046 588 1HG LYS 65 1HG LYS 65 -10.744 -17.897 -4.964 589 2HG LYS 65 2HG LYS 65 -11.133 -16.694 -6.177 590 1HD LYS 65 1HD LYS 65 -11.606 -18.393 -7.604 591 2HD LYS 65 2HD LYS 65 -9.893 -18.756 -7.648 592 1HE LYS 65 1HE LYS 65 -10.074 -20.518 -6.122 593 2HE LYS 65 2HE LYS 65 -11.452 -19.813 -5.300 594 QB LYS 65 QB LYS 65 -8.519 -17.503 -5.907 595 QD LYS 65 QD LYS 65 -10.749 -18.574 -7.626 596 QG LYS 65 QG LYS 65 -10.939 -17.295 -5.571 597 QE LYS 65 QE LYS 65 -10.763 -20.166 -5.711 598 QZ LYS 65 QZ LYS 65 -12.276 -20.671 -7.559 599 H GLY 66 H GLY 66 -9.091 -16.075 -8.815 600 1HA GLY 66 1HA GLY 66 -10.679 -15.710 -10.391 601 2HA GLY 66 2HA GLY 66 -11.778 -15.130 -9.156 602 QA GLY 66 QA GLY 66 -11.228 -15.420 -9.774 603 H VAL 67 H VAL 67 -9.307 -13.290 -8.295 604 HA VAL 67 HA VAL 67 -9.276 -11.430 -10.501 605 HB VAL 67 HB VAL 67 -10.372 -10.527 -7.842 606 1HG1 VAL 67 1HG1 VAL 67 -9.239 -8.971 -9.618 607 2HG1 VAL 67 2HG1 VAL 67 -10.778 -9.161 -10.491 608 3HG1 VAL 67 3HG1 VAL 67 -10.766 -8.475 -8.849 609 1HG2 VAL 67 1HG2 VAL 67 -11.938 -11.309 -10.324 610 2HG2 VAL 67 2HG2 VAL 67 -11.955 -12.146 -8.753 611 3HG2 VAL 67 3HG2 VAL 67 -12.610 -10.496 -8.890 612 MG1 VAL 67 MG1 VAL 67 -10.261 -8.869 -9.653 613 MG2 VAL 67 MG2 VAL 67 -12.168 -11.317 -9.322 614 QG VAL 67 QG VAL 67 -11.214 -10.093 -9.487 615 H LEU 68 H LEU 68 -7.597 -9.820 -10.256 616 HA LEU 68 HA LEU 68 -5.655 -10.629 -8.215 617 1HB LEU 68 1HB LEU 68 -5.256 -9.224 -10.860 618 2HB LEU 68 2HB LEU 68 -3.988 -9.603 -9.711 619 HG LEU 68 HG LEU 68 -5.729 -11.685 -11.058 620 1HD1 LEU 68 1HD1 LEU 68 -4.398 -10.460 -12.718 621 2HD1 LEU 68 2HD1 LEU 68 -2.920 -10.811 -11.790 622 3HD1 LEU 68 3HD1 LEU 68 -3.843 -12.141 -12.531 623 1HD2 LEU 68 1HD2 LEU 68 -4.269 -11.947 -8.768 624 2HD2 LEU 68 2HD2 LEU 68 -4.648 -13.270 -9.897 625 3HD2 LEU 68 3HD2 LEU 68 -3.082 -12.430 -10.003 626 MD1 LEU 68 MD1 LEU 68 -3.721 -11.137 -12.346 627 MD2 LEU 68 MD2 LEU 68 -4.000 -12.549 -9.556 628 QB LEU 68 QB LEU 68 -4.622 -9.414 -10.286 629 QD LEU 68 QD LEU 68 -3.860 -11.843 -10.951 630 H SER 69 H SER 69 -4.303 -8.845 -7.274 631 HA SER 69 HA SER 69 -6.080 -6.647 -6.679 632 1HB SER 69 2HB SER 69 -4.779 -6.307 -4.708 633 2HB SER 69 1HB SER 69 -3.391 -7.150 -5.367 634 HG SER 69 HG SER 69 -4.830 -9.123 -5.369 635 QB SER 69 QB SER 69 -4.085 -6.729 -5.038 636 H LYS 70 H LYS 70 -3.627 -5.029 -5.771 637 HA LYS 70 HA LYS 70 -3.098 -3.882 -8.393 638 1HB LYS 70 1HB LYS 70 -2.674 -2.831 -5.581 639 2HB LYS 70 2HB LYS 70 -2.218 -1.967 -7.035 640 1HG LYS 70 1HG LYS 70 -4.345 -1.240 -7.327 641 2HG LYS 70 2HG LYS 70 -4.943 -2.887 -7.352 642 1HD LYS 70 1HD LYS 70 -5.004 -2.909 -4.853 643 2HD LYS 70 2HD LYS 70 -4.389 -1.268 -4.819 644 1HE LYS 70 1HE LYS 70 -6.577 -1.064 -6.553 645 2HE LYS 70 2HE LYS 70 -7.132 -2.236 -5.375 646 QB LYS 70 QB LYS 70 -2.446 -2.399 -6.308 647 QD LYS 70 QD LYS 70 -4.697 -2.089 -4.836 648 QG LYS 70 QG LYS 70 -4.644 -2.064 -7.339 649 QE LYS 70 QE LYS 70 -6.854 -1.650 -5.964 650 QZ LYS 70 QZ LYS 70 -7.166 -0.035 -4.457 651 H GLN 71 H GLN 71 -0.836 -3.492 -5.705 652 HA GLN 71 HA GLN 71 1.374 -3.918 -7.161 653 1HB GLN 71 1HB GLN 71 2.323 -4.734 -4.787 654 2HB GLN 71 2HB GLN 71 1.879 -3.064 -5.080 655 1HG GLN 71 1HG GLN 71 -0.082 -3.206 -3.820 656 2HG GLN 71 2HG GLN 71 -0.307 -4.911 -4.154 657 2HE2 GLN 71 1HE2 GLN 71 0.714 -2.620 -1.940 658 1HE2 GLN 71 2HE2 GLN 71 1.517 -3.634 -0.789 659 QB GLN 71 QB GLN 71 2.101 -3.899 -4.934 660 QG GLN 71 QG GLN 71 -0.194 -4.058 -3.987 661 QE GLN 71 QE GLN 71 1.115 -3.127 -1.364 662 H GLU 72 H GLU 72 -0.866 -6.333 -5.892 663 HA GLU 72 HA GLU 72 0.715 -8.530 -5.751 664 1HB GLU 72 1HB GLU 72 -2.174 -8.150 -6.592 665 2HB GLU 72 2HB GLU 72 -1.465 -9.752 -6.544 666 1HG GLU 72 1HG GLU 72 -0.697 -9.126 -4.119 667 2HG GLU 72 2HG GLU 72 -1.839 -7.802 -4.240 668 HE2 GLU 72 HE2 GLU 72 -2.828 -9.988 -2.393 669 QB GLU 72 QB GLU 72 -1.820 -8.951 -6.568 670 QG GLU 72 QG GLU 72 -1.268 -8.464 -4.180 671 H PHE 73 H PHE 73 -1.410 -7.866 -8.628 672 HA PHE 73 HA PHE 73 -0.212 -9.630 -10.323 673 1HB PHE 73 1HB PHE 73 -2.276 -8.493 -10.915 674 2HB PHE 73 2HB PHE 73 -1.584 -6.912 -10.609 675 HD1 PHE 73 HD1 PHE 73 0.313 -6.150 -12.204 676 HD2 PHE 73 HD2 PHE 73 -2.372 -9.313 -13.091 677 HE1 PHE 73 HE1 PHE 73 0.828 -5.901 -14.648 678 HE2 PHE 73 HE2 PHE 73 -1.858 -9.065 -15.535 679 HZ PHE 73 HZ PHE 73 -0.264 -7.361 -16.285 680 QB PHE 73 QB PHE 73 -1.930 -7.703 -10.762 681 QD PHE 73 QD PHE 73 -1.030 -7.732 -12.648 682 QE PHE 73 QE PHE 73 -0.515 -7.483 -15.092 683 QR PHE 73 QR PHE 73 -0.772 -7.607 -13.870 684 H PHE 74 H PHE 74 0.691 -6.195 -9.660 685 HA PHE 74 HA PHE 74 2.617 -5.990 -11.657 686 1HB PHE 74 1HB PHE 74 1.705 -4.647 -9.164 687 2HB PHE 74 2HB PHE 74 3.428 -4.446 -9.408 688 HD1 PHE 74 HD1 PHE 74 0.334 -4.296 -11.509 689 HD2 PHE 74 HD2 PHE 74 4.049 -2.517 -10.486 690 HE1 PHE 74 HE1 PHE 74 -0.112 -2.432 -13.129 691 HE2 PHE 74 HE2 PHE 74 3.602 -0.653 -12.107 692 HZ PHE 74 HZ PHE 74 1.527 -0.633 -13.409 693 QB PHE 74 QB PHE 74 2.567 -4.546 -9.286 694 QD PHE 74 QD PHE 74 2.191 -3.407 -10.997 695 QE PHE 74 QE PHE 74 1.745 -1.543 -12.618 696 QR PHE 74 QR PHE 74 1.968 -2.475 -11.808 697 H VAL 75 H VAL 75 2.707 -7.393 -8.373 698 HA VAL 75 HA VAL 75 5.526 -7.504 -8.201 699 HB VAL 75 HB VAL 75 3.172 -8.548 -6.737 700 1HG1 VAL 75 1HG1 VAL 75 5.864 -9.914 -6.714 701 2HG1 VAL 75 2HG1 VAL 75 4.813 -9.913 -5.277 702 3HG1 VAL 75 3HG1 VAL 75 4.238 -10.633 -6.800 703 1HG2 VAL 75 1HG2 VAL 75 5.510 -6.799 -6.285 704 2HG2 VAL 75 2HG2 VAL 75 3.861 -6.711 -5.621 705 3HG2 VAL 75 3HG2 VAL 75 5.054 -7.816 -4.897 706 MG1 VAL 75 MG1 VAL 75 4.972 -10.154 -6.263 707 MG2 VAL 75 MG2 VAL 75 4.809 -7.108 -5.601 708 QG VAL 75 QG VAL 75 4.890 -8.631 -5.932 709 H ALA 76 H ALA 76 2.971 -9.898 -9.144 710 HA ALA 76 HA ALA 76 4.693 -12.015 -9.634 711 1HB ALA 76 2HB ALA 76 2.066 -11.299 -11.000 712 2HB ALA 76 3HB ALA 76 2.818 -12.912 -10.950 713 3HB ALA 76 1HB ALA 76 2.225 -12.159 -9.450 714 MB ALA 76 MB ALA 76 2.370 -12.123 -10.467 715 H LEU 77 H LEU 77 3.725 -9.205 -11.649 716 HA LEU 77 HA LEU 77 4.651 -10.049 -14.086 717 1HB LEU 77 1HB LEU 77 3.694 -7.697 -12.932 718 2HB LEU 77 2HB LEU 77 5.268 -7.261 -13.567 719 HG LEU 77 HG LEU 77 2.924 -8.411 -15.098 720 1HD1 LEU 77 1HD1 LEU 77 3.455 -5.813 -14.416 721 2HD1 LEU 77 2HD1 LEU 77 4.216 -5.938 -16.021 722 3HD1 LEU 77 3HD1 LEU 77 2.493 -6.336 -15.820 723 1HD2 LEU 77 1HD2 LEU 77 5.770 -7.955 -16.024 724 2HD2 LEU 77 2HD2 LEU 77 4.861 -9.485 -15.997 725 3HD2 LEU 77 3HD2 LEU 77 4.384 -8.187 -17.117 726 MD1 LEU 77 MD1 LEU 77 3.388 -6.029 -15.419 727 MD2 LEU 77 MD2 LEU 77 5.005 -8.543 -16.380 728 QB LEU 77 QB LEU 77 4.481 -7.479 -13.249 729 QD LEU 77 QD LEU 77 4.196 -7.286 -15.899 730 H ARG 78 H ARG 78 6.543 -7.854 -11.894 731 HA ARG 78 HA ARG 78 8.896 -8.188 -13.193 732 1HB ARG 78 1HB ARG 78 8.178 -7.519 -10.323 733 2HB ARG 78 2HB ARG 78 9.867 -7.700 -10.752 734 1HG ARG 78 2HG ARG 78 9.255 -5.345 -10.979 735 2HG ARG 78 1HG ARG 78 7.869 -5.745 -11.975 736 1HD ARG 78 1HD ARG 78 10.287 -5.010 -13.009 737 2HD ARG 78 2HD ARG 78 10.527 -6.745 -12.951 738 HE ARG 78 HE ARG 78 8.050 -6.587 -14.100 739 1HH1 ARG 78 1HH1 ARG 78 11.078 -4.898 -14.829 740 2HH1 ARG 78 2HH1 ARG 78 10.715 -4.713 -16.512 741 2HH2 ARG 78 HH2 ARG 78 8.647 -5.571 -17.368 742 QB ARG 78 QB ARG 78 9.023 -7.609 -10.537 743 QG ARG 78 QG ARG 78 8.562 -5.545 -11.477 744 QD ARG 78 QD ARG 78 10.407 -5.877 -12.980 745 QH1 ARG 78 QH1 ARG 78 10.896 -4.805 -15.670 746 H LEU 79 H LEU 79 7.339 -10.234 -10.700 747 HA LEU 79 HA LEU 79 9.474 -11.767 -9.907 748 1HB LEU 79 1HB LEU 79 6.963 -11.676 -9.194 749 2HB LEU 79 2HB LEU 79 6.765 -12.962 -10.367 750 HG LEU 79 HG LEU 79 8.682 -13.052 -8.021 751 1HD1 LEU 79 1HD1 LEU 79 5.888 -14.161 -8.352 752 2HD1 LEU 79 2HD1 LEU 79 7.036 -14.746 -7.123 753 3HD1 LEU 79 3HD1 LEU 79 6.497 -13.050 -7.101 754 1HD2 LEU 79 1HD2 LEU 79 8.224 -14.806 -10.346 755 2HD2 LEU 79 2HD2 LEU 79 9.644 -14.638 -9.285 756 3HD2 LEU 79 3HD2 LEU 79 8.261 -15.635 -8.771 757 MD1 LEU 79 MD1 LEU 79 6.474 -13.985 -7.525 758 MD2 LEU 79 MD2 LEU 79 8.710 -15.026 -9.468 759 QB LEU 79 QB LEU 79 6.864 -12.319 -9.780 760 QD LEU 79 QD LEU 79 7.592 -14.506 -8.496 761 H VAL 80 H VAL 80 7.479 -11.956 -12.886 762 HA VAL 80 HA VAL 80 8.411 -14.403 -13.798 763 HB VAL 80 HB VAL 80 7.604 -11.957 -15.384 764 1HG1 VAL 80 1HG1 VAL 80 8.703 -13.740 -16.715 765 2HG1 VAL 80 2HG1 VAL 80 7.479 -14.896 -16.138 766 3HG1 VAL 80 3HG1 VAL 80 6.992 -13.513 -17.147 767 1HG2 VAL 80 1HG2 VAL 80 6.098 -13.447 -13.509 768 2HG2 VAL 80 2HG2 VAL 80 5.510 -12.229 -14.666 769 3HG2 VAL 80 3HG2 VAL 80 5.536 -13.949 -15.122 770 MG1 VAL 80 MG1 VAL 80 7.725 -14.050 -16.667 771 MG2 VAL 80 MG2 VAL 80 5.715 -13.208 -14.433 772 QG VAL 80 QG VAL 80 6.720 -13.629 -15.550 773 H ALA 81 H ALA 81 9.767 -11.078 -14.072 774 HA ALA 81 HA ALA 81 11.825 -11.739 -15.848 775 1HB ALA 81 2HB ALA 81 12.275 -9.625 -13.792 776 2HB ALA 81 3HB ALA 81 12.426 -9.549 -15.564 777 3HB ALA 81 1HB ALA 81 10.820 -9.452 -14.803 778 MB ALA 81 MB ALA 81 11.840 -9.542 -14.719 779 H CYS 82 H CYS 82 11.260 -12.594 -12.539 780 HA CYS 82 HA CYS 82 13.981 -12.762 -11.764 781 1HB CYS 82 1HB CYS 82 11.795 -12.621 -10.307 782 2HB CYS 82 2HB CYS 82 11.797 -14.367 -10.458 783 HG CYS 82 HG CYS 82 14.559 -13.373 -9.863 784 QB CYS 82 QB CYS 82 11.796 -13.494 -10.383 785 H ALA 83 H ALA 83 11.494 -15.397 -12.130 786 HA ALA 83 HA ALA 83 13.265 -17.473 -12.359 787 1HB ALA 83 2HB ALA 83 10.592 -17.234 -13.791 788 2HB ALA 83 1HB ALA 83 10.757 -17.549 -12.047 789 3HB ALA 83 3HB ALA 83 11.391 -18.721 -13.227 790 MB ALA 83 MB ALA 83 10.913 -17.835 -13.022 791 H GLN 84 H GLN 84 12.525 -14.915 -14.636 792 HA GLN 84 HA GLN 84 13.081 -16.214 -16.996 793 1HB GLN 84 1HB GLN 84 13.264 -13.346 -16.064 794 2HB GLN 84 2HB GLN 84 13.877 -13.762 -17.652 795 1HG GLN 84 1HG GLN 84 11.267 -15.008 -17.219 796 2HG GLN 84 2HG GLN 84 11.170 -13.284 -16.924 797 2HE2 GLN 84 1HE2 GLN 84 9.773 -14.222 -18.962 798 1HE2 GLN 84 2HE2 GLN 84 10.462 -13.810 -20.497 799 QB GLN 84 QB GLN 84 13.571 -13.554 -16.858 800 QG GLN 84 QG GLN 84 11.218 -14.146 -17.072 801 QE GLN 84 QE GLN 84 10.118 -14.016 -19.730 802 H ASN 85 H ASN 85 15.169 -15.305 -14.344 803 HA ASN 85 HA ASN 85 17.500 -15.537 -16.047 804 1HB ASN 85 1HB ASN 85 17.050 -13.742 -14.094 805 2HB ASN 85 2HB ASN 85 17.639 -15.030 -13.061 806 2HD2 ASN 85 1HD2 ASN 85 19.607 -14.450 -12.496 807 1HD2 ASN 85 2HD2 ASN 85 20.907 -14.023 -13.558 808 QB ASN 85 QB ASN 85 17.345 -14.386 -13.577 809 QD ASN 85 QD ASN 85 20.257 -14.236 -13.027 810 H GLY 86 H GLY 86 15.457 -17.271 -13.823 811 1HA GLY 86 1HA GLY 86 15.718 -19.645 -13.690 812 2HA GLY 86 2HA GLY 86 17.457 -19.436 -13.637 813 QA GLY 86 QA GLY 86 16.588 -19.540 -13.663 814 H LEU 87 H LEU 87 15.859 -16.965 -11.848 815 HA LEU 87 HA LEU 87 16.836 -18.078 -9.397 816 1HB LEU 87 2HB LEU 87 16.099 -15.966 -8.432 817 2HB LEU 87 1HB LEU 87 15.275 -15.545 -9.920 818 HG LEU 87 HG LEU 87 17.549 -15.665 -11.069 819 1HD1 LEU 87 1HD1 LEU 87 16.714 -13.582 -9.078 820 2HD1 LEU 87 2HD1 LEU 87 18.254 -13.409 -9.953 821 3HD1 LEU 87 3HD1 LEU 87 16.725 -13.523 -10.857 822 1HD2 LEU 87 1HD2 LEU 87 18.344 -16.175 -8.251 823 2HD2 LEU 87 2HD2 LEU 87 19.077 -16.726 -9.776 824 3HD2 LEU 87 3HD2 LEU 87 19.370 -15.069 -9.196 825 MD1 LEU 87 MD1 LEU 87 17.231 -13.505 -9.963 826 MD2 LEU 87 MD2 LEU 87 18.931 -15.990 -9.075 827 QB LEU 87 QB LEU 87 15.687 -15.756 -9.176 828 QD LEU 87 QD LEU 87 18.081 -14.747 -9.519 829 H GLU 88 H GLU 88 15.310 -17.957 -7.389 830 HA GLU 88 HA GLU 88 13.437 -19.901 -7.666 831 1HB GLU 88 1HB GLU 88 14.538 -18.565 -5.566 832 2HB GLU 88 2HB GLU 88 12.939 -17.848 -5.543 833 1HG GLU 88 1HG GLU 88 11.933 -19.790 -4.848 834 2HG GLU 88 2HG GLU 88 12.902 -20.793 -5.908 835 HE2 GLU 88 HE2 GLU 88 14.528 -21.922 -4.834 836 QB GLU 88 QB GLU 88 13.738 -18.207 -5.555 837 QG GLU 88 QG GLU 88 12.417 -20.292 -5.378 838 H VAL 89 H VAL 89 10.994 -19.727 -7.227 839 HA VAL 89 HA VAL 89 9.956 -17.548 -8.887 840 HB VAL 89 HB VAL 89 8.704 -20.198 -8.143 841 1HG1 VAL 89 1HG1 VAL 89 7.690 -17.810 -9.440 842 2HG1 VAL 89 2HG1 VAL 89 7.616 -19.210 -10.537 843 3HG1 VAL 89 3HG1 VAL 89 6.829 -19.286 -8.942 844 1HG2 VAL 89 1HG2 VAL 89 10.854 -20.252 -9.564 845 2HG2 VAL 89 2HG2 VAL 89 9.420 -21.101 -10.189 846 3HG2 VAL 89 3HG2 VAL 89 9.867 -19.507 -10.844 847 MG1 VAL 89 MG1 VAL 89 7.378 -18.769 -9.639 848 MG2 VAL 89 MG2 VAL 89 10.047 -20.287 -10.199 849 QG VAL 89 QG VAL 89 8.713 -19.528 -9.919 850 H SER 90 H SER 90 10.545 -18.200 -5.703 851 HA SER 90 HA SER 90 7.956 -17.312 -4.780 852 1HB SER 90 1HB SER 90 10.421 -18.464 -3.466 853 2HB SER 90 2HB SER 90 9.288 -17.555 -2.487 854 HG SER 90 HG SER 90 8.217 -19.407 -2.365 855 QB SER 90 QB SER 90 9.854 -18.010 -2.977 856 H LEU 91 H LEU 91 8.002 -15.535 -2.990 857 HA LEU 91 HA LEU 91 8.995 -13.196 -4.082 858 1HB LEU 91 1HB LEU 91 7.581 -14.051 -1.692 859 2HB LEU 91 2HB LEU 91 8.678 -12.727 -1.354 860 HG LEU 91 HG LEU 91 6.441 -12.752 -3.396 861 1HD1 LEU 91 1HD1 LEU 91 6.708 -11.787 -0.616 862 2HD1 LEU 91 2HD1 LEU 91 5.954 -10.647 -1.757 863 3HD1 LEU 91 3HD1 LEU 91 5.265 -12.274 -1.539 864 1HD2 LEU 91 1HD2 LEU 91 8.833 -11.092 -3.238 865 2HD2 LEU 91 2HD2 LEU 91 7.622 -11.244 -4.533 866 3HD2 LEU 91 3HD2 LEU 91 7.331 -10.139 -3.168 867 MD1 LEU 91 MD1 LEU 91 5.976 -11.570 -1.304 868 MD2 LEU 91 MD2 LEU 91 7.929 -10.825 -3.646 869 QB LEU 91 QB LEU 91 8.130 -13.389 -1.523 870 QD LEU 91 QD LEU 91 6.952 -11.197 -2.475 871 H SER 92 H SER 92 10.597 -15.706 -2.281 872 HA SER 92 HA SER 92 12.565 -14.122 -1.096 873 1HB SER 92 1HB SER 92 12.493 -17.060 -1.893 874 2HB SER 92 2HB SER 92 13.842 -16.352 -1.028 875 HG SER 92 HG SER 92 11.086 -16.394 -0.131 876 QB SER 92 QB SER 92 13.168 -16.706 -1.461 877 H SER 93 H SER 93 11.862 -14.676 -4.354 878 HA SER 93 HA SER 93 14.643 -14.648 -5.153 879 1HB SER 93 1HB SER 93 12.532 -16.015 -6.191 880 2HB SER 93 2HB SER 93 12.439 -14.574 -7.184 881 HG SER 93 HG SER 93 13.848 -16.419 -7.961 882 QB SER 93 QB SER 93 12.486 -15.295 -6.687 883 H LEU 94 H LEU 94 11.956 -12.549 -4.556 884 HA LEU 94 HA LEU 94 12.793 -10.544 -6.457 885 1HB LEU 94 1HB LEU 94 10.524 -10.954 -4.582 886 2HB LEU 94 2HB LEU 94 10.957 -9.299 -4.964 887 HG LEU 94 HG LEU 94 10.022 -11.464 -6.851 888 1HD1 LEU 94 1HD1 LEU 94 8.788 -9.222 -5.509 889 2HD1 LEU 94 2HD1 LEU 94 8.656 -9.051 -7.275 890 3HD1 LEU 94 3HD1 LEU 94 8.048 -10.520 -6.476 891 1HD2 LEU 94 1HD2 LEU 94 11.675 -9.071 -7.433 892 2HD2 LEU 94 2HD2 LEU 94 11.525 -10.613 -8.308 893 3HD2 LEU 94 3HD2 LEU 94 10.280 -9.356 -8.502 894 MD1 LEU 94 MD1 LEU 94 8.497 -9.598 -6.420 895 MD2 LEU 94 MD2 LEU 94 11.160 -9.680 -8.081 896 QB LEU 94 QB LEU 94 10.740 -10.126 -4.773 897 QD LEU 94 QD LEU 94 9.829 -9.639 -7.250 898 H SER 95 H SER 95 12.751 -8.160 -5.268 899 HA SER 95 HA SER 95 13.753 -6.768 -3.923 900 1HB SER 95 2HB SER 95 13.077 -8.606 -2.120 901 2HB SER 95 1HB SER 95 14.121 -7.266 -1.690 902 HG SER 95 HG SER 95 14.808 -9.558 -1.090 903 QB SER 95 QB SER 95 13.599 -7.936 -1.905 904 H LEU 96 H LEU 96 15.095 -8.926 -5.906 905 HA LEU 96 HA LEU 96 17.857 -8.220 -5.203 906 1HB LEU 96 2HB LEU 96 18.568 -10.231 -5.922 907 2HB LEU 96 1HB LEU 96 17.354 -10.353 -7.180 908 HG LEU 96 HG LEU 96 15.660 -10.860 -5.363 909 1HD1 LEU 96 1HD1 LEU 96 16.852 -12.532 -6.876 910 2HD1 LEU 96 2HD1 LEU 96 17.883 -12.899 -5.471 911 3HD1 LEU 96 3HD1 LEU 96 16.125 -13.164 -5.379 912 1HD2 LEU 96 1HD2 LEU 96 16.988 -9.923 -3.489 913 2HD2 LEU 96 2HD2 LEU 96 16.429 -11.587 -3.198 914 3HD2 LEU 96 3HD2 LEU 96 18.124 -11.284 -3.651 915 MD1 LEU 96 MD1 LEU 96 16.953 -12.865 -5.908 916 MD2 LEU 96 MD2 LEU 96 17.180 -10.931 -3.446 917 QB LEU 96 QB LEU 96 17.961 -10.292 -6.551 918 QD LEU 96 QD LEU 96 17.067 -11.898 -4.677 919 H ALA 97 H ALA 97 18.983 -8.766 -7.765 920 HA ALA 97 HA ALA 97 17.861 -6.490 -9.237 921 1HB ALA 97 1HB ALA 97 20.345 -6.719 -8.280 922 2HB ALA 97 3HB ALA 97 20.020 -5.941 -9.848 923 3HB ALA 97 2HB ALA 97 20.582 -7.629 -9.791 924 MB ALA 97 MB ALA 97 20.315 -6.763 -9.307 925 H VAL 98 H VAL 98 16.225 -8.458 -9.718 926 HA VAL 98 HA VAL 98 17.056 -10.454 -11.484 927 HB VAL 98 HB VAL 98 14.711 -10.778 -11.894 928 1HG1 VAL 98 1HG1 VAL 98 15.612 -11.486 -9.708 929 2HG1 VAL 98 2HG1 VAL 98 15.145 -9.914 -9.014 930 3HG1 VAL 98 3HG1 VAL 98 13.894 -11.033 -9.605 931 1HG2 VAL 98 1HG2 VAL 98 14.390 -8.135 -12.011 932 2HG2 VAL 98 2HG2 VAL 98 13.041 -9.232 -11.630 933 3HG2 VAL 98 3HG2 VAL 98 13.886 -8.373 -10.320 934 MG1 VAL 98 MG1 VAL 98 14.884 -10.811 -9.442 935 MG2 VAL 98 MG2 VAL 98 13.772 -8.580 -11.320 936 QG VAL 98 QG VAL 98 14.328 -9.696 -10.381 937 HA PRO 99 HA PRO 99 17.442 -8.307 -15.214 938 1HB PRO 99 1HB PRO 99 17.031 -10.305 -17.033 939 2HB PRO 99 2HB PRO 99 18.553 -10.067 -16.198 940 1HG PRO 99 2HG PRO 99 18.161 -12.120 -15.221 941 2HG PRO 99 1HG PRO 99 16.485 -12.127 -15.731 942 1HD PRO 99 1HD PRO 99 15.869 -11.576 -13.586 943 2HD PRO 99 2HD PRO 99 17.550 -11.456 -13.107 944 QB PRO 99 QB PRO 99 17.792 -10.186 -16.615 945 QG PRO 99 QG PRO 99 17.323 -12.124 -15.476 946 QD PRO 99 QD PRO 99 16.709 -11.516 -13.346 947 HA PRO 100 HA PRO 100 13.744 -7.117 -16.930 948 1HB PRO 100 1HB PRO 100 14.255 -6.636 -19.571 949 2HB PRO 100 2HB PRO 100 14.684 -5.517 -18.293 950 1HG PRO 100 2HG PRO 100 16.876 -5.922 -18.883 951 2HG PRO 100 1HG PRO 100 16.439 -7.323 -19.840 952 1HD PRO 100 1HD PRO 100 17.197 -8.674 -18.141 953 2HD PRO 100 2HD PRO 100 17.525 -7.273 -17.140 954 QB PRO 100 QB PRO 100 14.470 -6.076 -18.932 955 QG PRO 100 QG PRO 100 16.658 -6.622 -19.361 956 QD PRO 100 QD PRO 100 17.361 -7.973 -17.640 957 HA PRO 101 HA PRO 101 11.654 -10.498 -18.438 958 1HB PRO 101 1HB PRO 101 9.145 -9.449 -18.699 959 2HB PRO 101 2HB PRO 101 9.786 -10.032 -17.176 960 1HG PRO 101 2HG PRO 101 9.634 -7.847 -16.452 961 2HG PRO 101 1HG PRO 101 9.406 -7.243 -18.081 962 1HD PRO 101 1HD PRO 101 11.594 -6.538 -18.086 963 2HD PRO 101 2HD PRO 101 11.852 -7.244 -16.504 964 QB PRO 101 QB PRO 101 9.465 -9.740 -17.938 965 QG PRO 101 QG PRO 101 9.520 -7.545 -17.267 966 QD PRO 101 QD PRO 101 11.723 -6.891 -17.295 967 H ARG 102 H ARG 102 9.545 -10.681 -20.210 968 HA ARG 102 HA ARG 102 11.016 -9.918 -22.581 969 1HB ARG 102 1HB ARG 102 9.873 -12.318 -21.899 970 2HB ARG 102 2HB ARG 102 8.544 -11.607 -22.792 971 1HG ARG 102 1HG ARG 102 9.829 -12.787 -24.429 972 2HG ARG 102 2HG ARG 102 10.224 -11.097 -24.673 973 1HD ARG 102 1HD ARG 102 12.255 -11.462 -23.132 974 2HD ARG 102 2HD ARG 102 11.902 -13.177 -23.196 975 HE ARG 102 HE ARG 102 12.061 -11.939 -25.846 976 1HH1 ARG 102 1HH1 ARG 102 13.935 -13.459 -23.251 977 2HH1 ARG 102 2HH1 ARG 102 15.237 -13.922 -24.294 978 2HH2 ARG 102 HH2 ARG 102 15.125 -13.378 -26.625 979 QB ARG 102 QB ARG 102 9.209 -11.963 -22.346 980 QG ARG 102 QG ARG 102 10.027 -11.942 -24.551 981 QD ARG 102 QD ARG 102 12.078 -12.319 -23.164 982 QH1 ARG 102 QH1 ARG 102 14.586 -13.690 -23.772 983 H PHE 103 H PHE 103 7.982 -9.424 -20.796 984 HA PHE 103 HA PHE 103 6.217 -8.529 -22.569 985 1HB PHE 103 2HB PHE 103 5.438 -7.085 -20.728 986 2HB PHE 103 1HB PHE 103 7.065 -6.913 -20.102 987 HD1 PHE 103 HD1 PHE 103 4.606 -9.631 -20.836 988 HD2 PHE 103 HD2 PHE 103 7.623 -8.152 -18.243 989 HE1 PHE 103 HE1 PHE 103 4.209 -11.557 -19.276 990 HE2 PHE 103 HE2 PHE 103 7.226 -10.078 -16.683 991 HZ PHE 103 HZ PHE 103 5.524 -11.757 -17.218 992 QB PHE 103 QB PHE 103 6.251 -6.999 -20.415 993 QD PHE 103 QD PHE 103 6.114 -8.892 -19.540 994 QE PHE 103 QE PHE 103 5.717 -10.817 -17.979 995 QR PHE 103 QR PHE 103 5.916 -9.854 -18.760 996 H HIS 104 H HIS 104 5.560 -6.286 -23.271 997 HA HIS 104 HA HIS 104 7.688 -5.107 -24.670 998 1HB HIS 104 1HB HIS 104 4.774 -4.720 -24.384 999 2HB HIS 104 2HB HIS 104 5.664 -3.266 -24.790 1000 HD1 HIS 104 HD1 HIS 104 5.402 -2.931 -27.250 1001 HD2 HIS 104 HD2 HIS 104 6.141 -6.944 -26.277 1002 HE1 HIS 104 HE1 HIS 104 5.589 -4.181 -29.466 1003 QB HIS 104 QB HIS 104 5.219 -3.993 -24.587 1004 H ASP 105 H ASP 105 8.062 -2.606 -24.550 1005 HA ASP 105 HA ASP 105 7.680 -1.393 -22.055 1006 1HB ASP 105 1HB ASP 105 9.914 -3.139 -22.195 1007 2HB ASP 105 2HB ASP 105 10.591 -1.534 -22.390 1008 HD2 ASP 105 HD2 ASP 105 11.506 -1.732 -20.025 1009 QB ASP 105 QB ASP 105 10.253 -2.336 -22.293 No H/Q in entry = 1009 Start of MODEL 21 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.744 0.859 -1.224 3 1HB LEU 7 1HB LEU 7 2.427 -2.074 -0.852 4 2HB LEU 7 2HB LEU 7 3.041 -1.522 -2.398 5 HG LEU 7 HG LEU 7 4.325 -0.399 0.050 6 1HD1 LEU 7 1HD1 LEU 7 4.497 -3.290 -0.774 7 2HD1 LEU 7 2HD1 LEU 7 5.869 -2.468 0.008 8 3HD1 LEU 7 3HD1 LEU 7 4.305 -2.584 0.849 9 1HD2 LEU 7 1HD2 LEU 7 4.857 0.053 -2.469 10 2HD2 LEU 7 2HD2 LEU 7 6.179 -0.139 -1.293 11 3HD2 LEU 7 3HD2 LEU 7 5.735 -1.492 -2.362 12 MD1 LEU 7 MD1 LEU 7 4.890 -2.781 0.028 13 MD2 LEU 7 MD2 LEU 7 5.590 -0.526 -2.041 14 QB LEU 7 QB LEU 7 2.734 -1.798 -1.625 15 QD LEU 7 QD LEU 7 5.240 -1.653 -1.007 16 H SER 8 H SER 8 2.609 -0.201 -3.773 17 HA SER 8 HA SER 8 0.643 1.212 -4.920 18 1HB SER 8 2HB SER 8 1.661 0.456 -6.789 19 2HB SER 8 1HB SER 8 1.067 -1.169 -6.513 20 HG SER 8 HG SER 8 3.345 -1.234 -6.505 21 QB SER 8 QB SER 8 1.364 -0.356 -6.651 22 H LEU 9 H LEU 9 -1.477 0.753 -5.805 23 HA LEU 9 HA LEU 9 -3.208 -0.578 -4.210 24 1HB LEU 9 2HB LEU 9 -4.787 -0.449 -6.009 25 2HB LEU 9 1HB LEU 9 -3.509 -0.316 -7.201 26 HG LEU 9 HG LEU 9 -3.051 1.898 -6.686 27 1HD1 LEU 9 1HD1 LEU 9 -5.799 1.159 -6.982 28 2HD1 LEU 9 2HD1 LEU 9 -5.696 2.603 -5.946 29 3HD1 LEU 9 3HD1 LEU 9 -4.955 2.614 -7.564 30 1HD2 LEU 9 1HD2 LEU 9 -4.064 1.211 -3.964 31 2HD2 LEU 9 2HD2 LEU 9 -2.597 2.088 -4.460 32 3HD2 LEU 9 3HD2 LEU 9 -4.179 2.903 -4.506 33 MD1 LEU 9 MD1 LEU 9 -5.483 2.126 -6.830 34 MD2 LEU 9 MD2 LEU 9 -3.613 2.067 -4.310 35 QB LEU 9 QB LEU 9 -4.148 -0.382 -6.605 36 QD LEU 9 QD LEU 9 -4.548 2.096 -5.570 37 H THR 10 H THR 10 -1.171 -1.903 -6.835 38 HA THR 10 HA THR 10 -2.414 -4.399 -7.037 39 HB THR 10 HB THR 10 -0.185 -5.022 -8.050 40 HG1 THR 10 HG1 THR 10 1.323 -3.868 -6.839 41 1HG2 THR 10 1HG2 THR 10 -1.821 -3.576 -9.383 42 2HG2 THR 10 2HG2 THR 10 -0.958 -2.147 -8.764 43 3HG2 THR 10 3HG2 THR 10 -0.112 -3.316 -9.806 44 MG THR 10 MG THR 10 -0.964 -3.013 -9.318 45 H GLN 11 H GLN 11 0.297 -3.285 -4.919 46 HA GLN 11 HA GLN 11 0.504 -5.836 -3.729 47 1HB GLN 11 1HB GLN 11 1.884 -3.268 -3.611 48 2HB GLN 11 2HB GLN 11 1.656 -3.905 -1.995 49 1HG GLN 11 1HG GLN 11 2.934 -5.831 -2.414 50 2HG GLN 11 2HG GLN 11 2.617 -5.801 -4.137 51 2HE2 GLN 11 1HE2 GLN 11 5.118 -5.955 -2.568 52 1HE2 GLN 11 2HE2 GLN 11 6.139 -4.674 -3.130 53 QB GLN 11 QB GLN 11 1.770 -3.586 -2.803 54 QG GLN 11 QG GLN 11 2.776 -5.816 -3.276 55 QE GLN 11 QE GLN 11 5.628 -5.315 -2.849 56 H LEU 12 H LEU 12 -1.296 -2.831 -3.077 57 HA LEU 12 HA LEU 12 -1.921 -3.088 -0.448 58 1HB LEU 12 1HB LEU 12 -2.698 -1.508 -2.537 59 2HB LEU 12 2HB LEU 12 -4.185 -2.364 -2.181 60 HG LEU 12 HG LEU 12 -4.291 -0.379 -0.935 61 1HD1 LEU 12 1HD1 LEU 12 -3.858 -2.879 0.516 62 2HD1 LEU 12 2HD1 LEU 12 -3.578 -1.433 1.515 63 3HD1 LEU 12 3HD1 LEU 12 -5.138 -1.655 0.687 64 1HD2 LEU 12 1HD2 LEU 12 -1.417 -0.905 -0.165 65 2HD2 LEU 12 2HD2 LEU 12 -2.089 0.469 -1.074 66 3HD2 LEU 12 3HD2 LEU 12 -2.442 0.293 0.661 67 MD1 LEU 12 MD1 LEU 12 -4.191 -1.989 0.906 68 MD2 LEU 12 MD2 LEU 12 -1.983 -0.047 -0.193 69 QB LEU 12 QB LEU 12 -3.442 -1.936 -2.359 70 QD LEU 12 QD LEU 12 -3.087 -1.018 0.357 71 H SER 13 H SER 13 -3.452 -4.776 -3.254 72 HA SER 13 HA SER 13 -4.027 -6.983 -1.605 73 1HB SER 13 1HB SER 13 -6.150 -4.958 -2.077 74 2HB SER 13 2HB SER 13 -6.632 -6.600 -2.457 75 HG SER 13 HG SER 13 -6.315 -7.242 -0.349 76 QB SER 13 QB SER 13 -6.391 -5.779 -2.267 77 H SER 14 H SER 14 -2.460 -7.099 -3.724 78 HA SER 14 HA SER 14 -2.109 -7.926 -5.700 79 1HB SER 14 1HB SER 14 -4.160 -9.530 -4.535 80 2HB SER 14 2HB SER 14 -4.595 -9.344 -6.222 81 HG SER 14 HG SER 14 -2.979 -10.630 -6.794 82 QB SER 14 QB SER 14 -4.377 -9.437 -5.379 83 H GLY 15 H GLY 15 -3.858 -5.386 -5.320 84 1HA GLY 15 1HA GLY 15 -4.553 -3.811 -6.798 85 2HA GLY 15 2HA GLY 15 -4.340 -4.944 -8.118 86 QA GLY 15 QA GLY 15 -4.447 -4.377 -7.458 87 H ASN 16 H ASN 16 -6.381 -4.971 -5.103 88 HA ASN 16 HA ASN 16 -8.540 -6.017 -6.650 89 1HB ASN 16 1HB ASN 16 -7.970 -6.699 -4.237 90 2HB ASN 16 2HB ASN 16 -8.533 -5.122 -3.722 91 2HD2 ASN 16 1HD2 ASN 16 -9.580 -7.656 -2.965 92 1HD2 ASN 16 2HD2 ASN 16 -11.233 -7.751 -3.476 93 QB ASN 16 QB ASN 16 -8.252 -5.910 -3.980 94 QD ASN 16 QD ASN 16 -10.406 -7.704 -3.221 95 HA PRO 17 HA PRO 17 -10.103 -1.916 -7.221 96 1HB PRO 17 1HB PRO 17 -12.254 -2.551 -8.782 97 2HB PRO 17 2HB PRO 17 -10.640 -2.322 -9.423 98 1HG PRO 17 2HG PRO 17 -10.718 -4.553 -10.000 99 2HG PRO 17 1HG PRO 17 -12.122 -4.843 -8.991 100 1HD PRO 17 1HD PRO 17 -10.752 -5.833 -7.433 101 2HD PRO 17 2HD PRO 17 -9.337 -5.440 -8.389 102 QB PRO 17 QB PRO 17 -11.447 -2.436 -9.102 103 QG PRO 17 QG PRO 17 -11.420 -4.698 -9.496 104 QD PRO 17 QD PRO 17 -10.045 -5.637 -7.911 105 H VAL 18 H VAL 18 -11.488 -4.431 -5.519 106 HA VAL 18 HA VAL 18 -13.992 -3.593 -4.922 107 HB VAL 18 HB VAL 18 -12.832 -5.644 -4.144 108 1HG1 VAL 18 1HG1 VAL 18 -10.777 -4.348 -3.333 109 2HG1 VAL 18 2HG1 VAL 18 -11.725 -3.980 -1.873 110 3HG1 VAL 18 3HG1 VAL 18 -11.362 -5.671 -2.295 111 1HG2 VAL 18 1HG2 VAL 18 -14.260 -3.968 -2.056 112 2HG2 VAL 18 2HG2 VAL 18 -14.986 -5.115 -3.207 113 3HG2 VAL 18 3HG2 VAL 18 -13.939 -5.711 -1.897 114 MG1 VAL 18 MG1 VAL 18 -11.288 -4.666 -2.500 115 MG2 VAL 18 MG2 VAL 18 -14.395 -4.931 -2.386 116 QG VAL 18 QG VAL 18 -12.842 -4.799 -2.443 117 H TYR 19 H TYR 19 -10.871 -2.294 -3.691 118 HA TYR 19 HA TYR 19 -12.020 -0.580 -1.780 119 1HB TYR 19 1HB TYR 19 -9.445 -0.868 -3.395 120 2HB TYR 19 2HB TYR 19 -9.654 0.585 -2.438 121 HD1 TYR 19 HD1 TYR 19 -10.610 -0.041 0.087 122 HD2 TYR 19 HD2 TYR 19 -8.158 -2.511 -2.402 123 HE1 TYR 19 HE1 TYR 19 -9.760 -1.279 2.139 124 HE2 TYR 19 HE2 TYR 19 -7.317 -3.740 -0.342 125 HH TYR 19 HH TYR 19 -8.813 -3.690 2.520 126 QB TYR 19 QB TYR 19 -9.549 -0.141 -2.917 127 QD TYR 19 QD TYR 19 -9.384 -1.276 -1.158 128 QE TYR 19 QE TYR 19 -8.538 -2.510 0.898 129 QR TYR 19 QR TYR 19 -8.961 -1.893 -0.130 130 H GLU 20 H GLU 20 -11.256 -0.233 -5.276 131 HA GLU 20 HA GLU 20 -11.450 2.469 -5.485 132 1HB GLU 20 1HB GLU 20 -11.456 0.198 -7.245 133 2HB GLU 20 2HB GLU 20 -12.740 1.268 -7.772 134 1HG GLU 20 1HG GLU 20 -10.239 2.696 -7.058 135 2HG GLU 20 2HG GLU 20 -10.038 1.566 -8.383 136 HE2 GLU 20 HE2 GLU 20 -12.090 2.182 -10.268 137 QB GLU 20 QB GLU 20 -12.098 0.733 -7.509 138 QG GLU 20 QG GLU 20 -10.138 2.131 -7.721 139 H LYS 21 H LYS 21 -14.005 0.045 -5.019 140 HA LYS 21 HA LYS 21 -16.176 1.594 -5.846 141 1HB LYS 21 1HB LYS 21 -17.061 -0.424 -5.537 142 2HB LYS 21 2HB LYS 21 -15.698 -0.947 -4.568 143 1HG LYS 21 1HG LYS 21 -17.584 -1.106 -3.109 144 2HG LYS 21 2HG LYS 21 -16.747 0.348 -2.603 145 1HD LYS 21 1HD LYS 21 -18.332 1.628 -4.223 146 2HD LYS 21 2HD LYS 21 -19.271 0.150 -4.294 147 1HE LYS 21 1HE LYS 21 -18.514 1.301 -1.593 148 2HE LYS 21 2HE LYS 21 -19.850 2.003 -2.484 149 QB LYS 21 QB LYS 21 -16.379 -0.686 -5.053 150 QD LYS 21 QD LYS 21 -18.802 0.889 -4.258 151 QG LYS 21 QG LYS 21 -17.165 -0.379 -2.856 152 QE LYS 21 QE LYS 21 -19.182 1.652 -2.039 153 QZ LYS 21 QZ LYS 21 -20.061 -0.605 -1.942 154 H TYR 22 H TYR 22 -14.511 1.255 -2.657 155 HA TYR 22 HA TYR 22 -16.298 3.034 -1.347 156 1HB TYR 22 2HB TYR 22 -14.552 2.784 0.436 157 2HB TYR 22 1HB TYR 22 -13.384 2.234 -0.748 158 HD1 TYR 22 HD1 TYR 22 -16.950 1.174 -0.356 159 HD2 TYR 22 HD2 TYR 22 -12.830 0.071 -0.022 160 HE1 TYR 22 HE1 TYR 22 -17.624 -1.236 0.091 161 HE2 TYR 22 HE2 TYR 22 -13.518 -2.336 0.424 162 HH TYR 22 HH TYR 22 -16.463 -3.525 -0.272 163 QB TYR 22 QB TYR 22 -13.968 2.509 -0.156 164 QD TYR 22 QD TYR 22 -14.890 0.622 -0.189 165 QE TYR 22 QE TYR 22 -15.571 -1.786 0.258 166 QR TYR 22 QR TYR 22 -15.231 -0.582 0.034 167 H TYR 23 H TYR 23 -12.987 3.335 -2.783 168 HA TYR 23 HA TYR 23 -12.441 5.907 -1.969 169 1HB TYR 23 1HB TYR 23 -10.754 4.578 -3.086 170 2HB TYR 23 2HB TYR 23 -11.853 4.114 -4.369 171 HD1 TYR 23 HD1 TYR 23 -9.742 6.873 -3.078 172 HD2 TYR 23 HD2 TYR 23 -12.076 5.434 -6.362 173 HE1 TYR 23 HE1 TYR 23 -8.786 8.699 -4.567 174 HE2 TYR 23 HE2 TYR 23 -11.112 7.265 -7.840 175 HH TYR 23 HH TYR 23 -9.264 8.677 -7.977 176 QB TYR 23 QB TYR 23 -11.303 4.346 -3.728 177 QD TYR 23 QD TYR 23 -10.909 6.154 -4.720 178 QE TYR 23 QE TYR 23 -9.949 7.982 -6.204 179 QR TYR 23 QR TYR 23 -10.429 7.068 -5.462 180 H ARG 24 H ARG 24 -14.720 4.740 -4.411 181 HA ARG 24 HA ARG 24 -14.889 7.323 -5.622 182 1HB ARG 24 1HB ARG 24 -15.167 5.187 -6.935 183 2HB ARG 24 2HB ARG 24 -16.618 4.828 -6.021 184 1HG ARG 24 1HG ARG 24 -17.757 5.975 -7.621 185 2HG ARG 24 2HG ARG 24 -17.100 7.433 -6.903 186 1HD ARG 24 1HD ARG 24 -15.665 7.792 -8.653 187 2HD ARG 24 2HD ARG 24 -15.177 6.110 -8.720 188 HE ARG 24 HE ARG 24 -17.845 6.235 -9.686 189 1HH1 ARG 24 1HH1 ARG 24 -14.638 7.403 -10.639 190 2HH1 ARG 24 2HH1 ARG 24 -15.007 7.409 -12.331 191 2HH2 ARG 24 HH2 ARG 24 -17.184 6.723 -13.061 192 QB ARG 24 QB ARG 24 -15.893 5.008 -6.478 193 QG ARG 24 QG ARG 24 -17.429 6.704 -7.262 194 QD ARG 24 QD ARG 24 -15.421 6.951 -8.686 195 QH1 ARG 24 QH1 ARG 24 -14.823 7.406 -11.485 196 H GLN 25 H GLN 25 -16.440 5.439 -3.078 197 HA GLN 25 HA GLN 25 -18.929 6.650 -3.101 198 1HB GLN 25 1HB GLN 25 -17.283 5.236 -0.991 199 2HB GLN 25 2HB GLN 25 -18.810 5.974 -0.551 200 1HG GLN 25 1HG GLN 25 -19.471 4.603 -2.889 201 2HG GLN 25 2HG GLN 25 -18.290 3.536 -2.155 202 2HE2 GLN 25 1HE2 GLN 25 -18.573 3.421 0.353 203 1HE2 GLN 25 2HE2 GLN 25 -20.175 3.063 0.907 204 QB GLN 25 QB GLN 25 -18.046 5.605 -0.771 205 QG GLN 25 QG GLN 25 -18.881 4.069 -2.522 206 QE GLN 25 QE GLN 25 -19.374 3.242 0.630 207 H VAL 26 H VAL 26 -15.793 7.587 -1.629 208 HA VAL 26 HA VAL 26 -16.906 9.734 -0.129 209 HB VAL 26 HB VAL 26 -14.774 10.074 0.620 210 1HG1 VAL 26 1HG1 VAL 26 -15.585 7.552 0.653 211 2HG1 VAL 26 2HG1 VAL 26 -14.158 7.318 -0.386 212 3HG1 VAL 26 3HG1 VAL 26 -13.969 8.011 1.243 213 1HG2 VAL 26 1HG2 VAL 26 -13.805 9.182 -2.109 214 2HG2 VAL 26 2HG2 VAL 26 -13.678 10.794 -1.364 215 3HG2 VAL 26 3HG2 VAL 26 -12.714 9.440 -0.726 216 MG1 VAL 26 MG1 VAL 26 -14.571 7.627 0.503 217 MG2 VAL 26 MG2 VAL 26 -13.399 9.805 -1.400 218 QG VAL 26 QG VAL 26 -13.985 8.716 -0.448 219 H GLU 27 H GLU 27 -15.393 9.320 -3.361 220 HA GLU 27 HA GLU 27 -14.823 11.794 -4.084 221 1HB GLU 27 1HB GLU 27 -14.637 9.848 -5.581 222 2HB GLU 27 2HB GLU 27 -16.381 9.752 -5.729 223 1HG GLU 27 1HG GLU 27 -15.667 12.447 -6.385 224 2HG GLU 27 2HG GLU 27 -14.516 11.418 -7.215 225 HE2 GLU 27 HE2 GLU 27 -16.916 12.509 -8.999 226 QB GLU 27 QB GLU 27 -15.509 9.800 -5.655 227 QG GLU 27 QG GLU 27 -15.092 11.933 -6.800 228 H ALA 28 H ALA 28 -15.868 13.705 -4.792 229 HA ALA 28 HA ALA 28 -18.793 13.689 -4.596 230 1HB ALA 28 2HB ALA 28 -17.187 16.004 -3.526 231 2HB ALA 28 1HB ALA 28 -17.430 14.563 -2.510 232 3HB ALA 28 3HB ALA 28 -18.835 15.478 -3.107 233 MB ALA 28 MB ALA 28 -17.817 15.348 -3.047 234 H GLY 29 H GLY 29 -19.679 15.839 -5.570 235 1HA GLY 29 1HA GLY 29 -19.769 17.334 -7.260 236 2HA GLY 29 2HA GLY 29 -18.027 17.239 -7.425 237 QA GLY 29 QA GLY 29 -18.898 17.287 -7.343 238 H ASN 30 H ASN 30 -18.657 17.387 -9.809 239 HA ASN 30 HA ASN 30 -19.257 14.696 -10.760 240 1HB ASN 30 1HB ASN 30 -20.843 16.870 -11.226 241 2HB ASN 30 2HB ASN 30 -19.715 17.077 -12.551 242 2HD2 ASN 30 1HD2 ASN 30 -22.581 15.790 -11.710 243 1HD2 ASN 30 2HD2 ASN 30 -22.741 14.502 -12.856 244 QB ASN 30 QB ASN 30 -20.279 16.974 -11.889 245 QD ASN 30 QD ASN 30 -22.661 15.146 -12.283 246 H THR 31 H THR 31 -16.620 15.775 -10.047 247 HA THR 31 HA THR 31 -15.413 16.401 -12.641 248 HB THR 31 HB THR 31 -13.407 16.850 -11.040 249 HG1 THR 31 HG1 THR 31 -14.224 15.678 -9.217 250 1HG2 THR 31 1HG2 THR 31 -16.038 18.378 -10.685 251 2HG2 THR 31 2HG2 THR 31 -14.473 18.939 -10.048 252 3HG2 THR 31 3HG2 THR 31 -14.716 18.786 -11.805 253 MG THR 31 MG THR 31 -15.076 18.701 -10.846 254 H GLY 32 H GLY 32 -15.701 13.861 -10.197 255 1HA GLY 32 1HA GLY 32 -15.298 11.628 -10.630 256 2HA GLY 32 2HA GLY 32 -14.311 12.052 -12.015 257 QA GLY 32 QA GLY 32 -14.804 11.840 -11.323 258 H ARG 33 H ARG 33 -13.839 13.786 -8.962 259 HA ARG 33 HA ARG 33 -11.496 12.132 -8.485 260 1HB ARG 33 1HB ARG 33 -11.662 15.038 -9.040 261 2HB ARG 33 2HB ARG 33 -10.780 14.687 -7.567 262 1HG ARG 33 1HG ARG 33 -9.533 12.873 -9.020 263 2HG ARG 33 2HG ARG 33 -10.167 13.759 -10.392 264 1HD ARG 33 1HD ARG 33 -8.983 15.566 -8.387 265 2HD ARG 33 2HD ARG 33 -7.827 14.373 -8.946 266 HE ARG 33 HE ARG 33 -8.899 16.581 -10.489 267 1HH1 ARG 33 1HH1 ARG 33 -7.713 13.257 -10.802 268 2HH1 ARG 33 2HH1 ARG 33 -7.241 13.449 -12.457 269 2HH2 ARG 33 HH2 ARG 33 -7.582 15.562 -13.537 270 QB ARG 33 QB ARG 33 -11.221 14.862 -8.304 271 QG ARG 33 QG ARG 33 -9.850 13.316 -9.706 272 QD ARG 33 QD ARG 33 -8.405 14.970 -8.666 273 QH1 ARG 33 QH1 ARG 33 -7.477 13.353 -11.630 274 H VAL 34 H VAL 34 -10.580 12.649 -6.139 275 HA VAL 34 HA VAL 34 -12.903 12.683 -4.370 276 HB VAL 34 HB VAL 34 -10.057 11.720 -4.063 277 1HG1 VAL 34 1HG1 VAL 34 -12.216 12.141 -2.017 278 2HG1 VAL 34 2HG1 VAL 34 -11.104 10.762 -1.848 279 3HG1 VAL 34 3HG1 VAL 34 -10.463 12.422 -1.898 280 1HG2 VAL 34 1HG2 VAL 34 -12.607 10.480 -4.814 281 2HG2 VAL 34 2HG2 VAL 34 -10.939 9.894 -5.025 282 3HG2 VAL 34 3HG2 VAL 34 -11.784 9.640 -3.478 283 MG1 VAL 34 MG1 VAL 34 -11.261 11.775 -1.921 284 MG2 VAL 34 MG2 VAL 34 -11.777 10.005 -4.439 285 QG VAL 34 QG VAL 34 -11.519 10.890 -3.180 286 H LEU 35 H LEU 35 -13.433 14.615 -3.500 287 HA LEU 35 HA LEU 35 -11.729 16.827 -3.579 288 1HB LEU 35 1HB LEU 35 -14.411 16.184 -2.757 289 2HB LEU 35 2HB LEU 35 -13.656 17.211 -1.555 290 HG LEU 35 HG LEU 35 -13.751 17.868 -4.511 291 1HD1 LEU 35 1HD1 LEU 35 -15.819 18.065 -2.472 292 2HD1 LEU 35 2HD1 LEU 35 -15.419 19.649 -3.180 293 3HD1 LEU 35 3HD1 LEU 35 -15.916 18.303 -4.234 294 1HD2 LEU 35 1HD2 LEU 35 -11.920 18.903 -3.148 295 2HD2 LEU 35 2HD2 LEU 35 -13.043 20.065 -3.897 296 3HD2 LEU 35 3HD2 LEU 35 -13.176 19.689 -2.162 297 MD1 LEU 35 MD1 LEU 35 -15.718 18.672 -3.295 298 MD2 LEU 35 MD2 LEU 35 -12.713 19.552 -3.069 299 QB LEU 35 QB LEU 35 -14.033 16.698 -2.156 300 QD LEU 35 QD LEU 35 -14.216 19.112 -3.182 301 H ALA 36 H ALA 36 -11.656 14.032 -1.611 302 HA ALA 36 HA ALA 36 -10.123 13.511 -0.055 303 1HB ALA 36 2HB ALA 36 -9.436 16.322 0.677 304 2HB ALA 36 1HB ALA 36 -9.011 15.801 -0.971 305 3HB ALA 36 3HB ALA 36 -8.378 14.911 0.435 306 MB ALA 36 MB ALA 36 -8.942 15.678 0.047 307 H LEU 37 H LEU 37 -11.841 16.622 0.715 308 HA LEU 37 HA LEU 37 -12.151 16.313 3.381 309 1HB LEU 37 1HB LEU 37 -13.702 17.611 1.217 310 2HB LEU 37 2HB LEU 37 -14.537 17.389 2.741 311 HG LEU 37 HG LEU 37 -13.325 19.607 2.342 312 1HD1 LEU 37 1HD1 LEU 37 -13.693 18.024 4.700 313 2HD1 LEU 37 2HD1 LEU 37 -12.202 18.983 4.868 314 3HD1 LEU 37 3HD1 LEU 37 -13.746 19.793 4.509 315 1HD2 LEU 37 1HD2 LEU 37 -10.942 17.808 2.826 316 2HD2 LEU 37 2HD2 LEU 37 -11.245 18.892 1.447 317 3HD2 LEU 37 3HD2 LEU 37 -10.907 19.573 3.056 318 MD1 LEU 37 MD1 LEU 37 -13.214 18.933 4.692 319 MD2 LEU 37 MD2 LEU 37 -11.031 18.758 2.443 320 QB LEU 37 QB LEU 37 -14.120 17.500 1.979 321 QD LEU 37 QD LEU 37 -12.122 18.845 3.567 322 H ASP 38 H ASP 38 -13.936 14.644 0.756 323 HA ASP 38 HA ASP 38 -15.791 13.484 2.524 324 1HB ASP 38 1HB ASP 38 -15.043 13.276 -0.354 325 2HB ASP 38 2HB ASP 38 -15.722 11.807 0.318 326 HD2 ASP 38 HD2 ASP 38 -18.582 12.644 1.068 327 QB ASP 38 QB ASP 38 -15.382 12.541 -0.018 328 H ALA 39 H ALA 39 -12.650 12.555 1.014 329 HA ALA 39 HA ALA 39 -12.623 9.866 1.663 330 1HB ALA 39 2HB ALA 39 -10.069 10.277 1.632 331 2HB ALA 39 1HB ALA 39 -10.479 11.973 1.280 332 3HB ALA 39 3HB ALA 39 -10.986 10.684 0.162 333 MB ALA 39 MB ALA 39 -10.511 10.978 1.025 334 H ALA 40 H ALA 40 -11.701 12.777 3.584 335 HA ALA 40 HA ALA 40 -10.726 11.276 5.777 336 1HB ALA 40 2HB ALA 40 -11.808 14.106 5.869 337 2HB ALA 40 3HB ALA 40 -10.489 13.388 6.825 338 3HB ALA 40 1HB ALA 40 -10.253 13.721 5.092 339 MB ALA 40 MB ALA 40 -10.850 13.738 5.928 340 H ALA 41 H ALA 41 -13.912 12.208 4.610 341 HA ALA 41 HA ALA 41 -15.193 11.948 7.153 342 1HB ALA 41 3HB ALA 41 -16.594 13.215 5.915 343 2HB ALA 41 2HB ALA 41 -17.129 11.688 5.172 344 3HB ALA 41 1HB ALA 41 -15.868 12.666 4.385 345 MB ALA 41 MB ALA 41 -16.530 12.523 5.157 346 H PHE 42 H PHE 42 -14.847 9.930 4.163 347 HA PHE 42 HA PHE 42 -16.395 7.807 5.090 348 1HB PHE 42 1HB PHE 42 -15.498 8.360 2.726 349 2HB PHE 42 2HB PHE 42 -13.920 7.819 3.261 350 HD1 PHE 42 HD1 PHE 42 -17.413 6.678 2.753 351 HD2 PHE 42 HD2 PHE 42 -13.347 5.543 3.188 352 HE1 PHE 42 HE1 PHE 42 -18.000 4.325 2.105 353 HE2 PHE 42 HE2 PHE 42 -13.934 3.190 2.539 354 HZ PHE 42 HZ PHE 42 -16.254 2.609 2.005 355 QB PHE 42 QB PHE 42 -14.709 8.090 2.994 356 QD PHE 42 QD PHE 42 -15.380 6.110 2.970 357 QE PHE 42 QE PHE 42 -15.967 3.758 2.322 358 QR PHE 42 QR PHE 42 -15.674 4.934 2.646 359 H LEU 43 H LEU 43 -13.066 8.801 5.777 360 HA LEU 43 HA LEU 43 -12.237 6.243 6.718 361 1HB LEU 43 1HB LEU 43 -11.105 9.029 6.914 362 2HB LEU 43 2HB LEU 43 -10.347 7.651 7.687 363 HG LEU 43 HG LEU 43 -10.906 7.811 4.714 364 1HD1 LEU 43 1HD1 LEU 43 -9.364 9.598 5.389 365 2HD1 LEU 43 2HD1 LEU 43 -8.313 8.394 6.172 366 3HD1 LEU 43 3HD1 LEU 43 -8.551 8.354 4.409 367 1HD2 LEU 43 1HD2 LEU 43 -10.304 5.619 6.315 368 2HD2 LEU 43 2HD2 LEU 43 -10.145 5.728 4.545 369 3HD2 LEU 43 3HD2 LEU 43 -8.744 6.072 5.588 370 MD1 LEU 43 MD1 LEU 43 -8.743 8.782 5.323 371 MD2 LEU 43 MD2 LEU 43 -9.731 5.806 5.482 372 QB LEU 43 QB LEU 43 -10.726 8.340 7.300 373 QD LEU 43 QD LEU 43 -9.237 7.294 5.403 374 H LYS 44 H LYS 44 -13.407 9.312 8.232 375 HA LYS 44 HA LYS 44 -13.090 8.631 10.857 376 1HB LYS 44 2HB LYS 44 -13.909 10.813 9.757 377 2HB LYS 44 1HB LYS 44 -14.529 10.389 11.340 378 1HG LYS 44 1HG LYS 44 -16.008 10.823 8.905 379 2HG LYS 44 2HG LYS 44 -16.223 9.143 9.356 380 1HD LYS 44 1HD LYS 44 -17.237 9.675 11.415 381 2HD LYS 44 2HD LYS 44 -16.474 11.249 11.508 382 1HE LYS 44 1HE LYS 44 -18.658 10.491 9.508 383 2HE LYS 44 2HE LYS 44 -18.929 11.388 10.988 384 QB LYS 44 QB LYS 44 -14.219 10.601 10.549 385 QD LYS 44 QD LYS 44 -16.855 10.462 11.462 386 QG LYS 44 QG LYS 44 -16.115 9.983 9.130 387 QE LYS 44 QE LYS 44 -18.793 10.940 10.248 388 QZ LYS 44 QZ LYS 44 -18.041 12.652 8.982 389 H LYS 45 H LYS 45 -15.209 7.218 8.458 390 HA LYS 45 HA LYS 45 -17.193 6.236 10.170 391 1HB LYS 45 2HB LYS 45 -17.699 4.702 8.313 392 2HB LYS 45 1HB LYS 45 -16.189 5.124 7.532 393 1HG LYS 45 1HG LYS 45 -17.324 7.627 8.032 394 2HG LYS 45 2HG LYS 45 -17.337 6.789 6.493 395 1HD LYS 45 1HD LYS 45 -19.444 5.672 8.120 396 2HD LYS 45 2HD LYS 45 -19.573 7.418 8.205 397 1HE LYS 45 1HE LYS 45 -19.886 7.647 5.866 398 2HE LYS 45 2HE LYS 45 -19.140 6.102 5.510 399 QB LYS 45 QB LYS 45 -16.944 4.913 7.923 400 QD LYS 45 QD LYS 45 -19.509 6.545 8.163 401 QG LYS 45 QG LYS 45 -17.330 7.208 7.263 402 QE LYS 45 QE LYS 45 -19.513 6.875 5.688 403 QZ LYS 45 QZ LYS 45 -21.455 5.770 5.764 404 H SER 46 H SER 46 -13.840 5.347 9.643 405 HA SER 46 HA SER 46 -13.853 2.708 10.232 406 1HB SER 46 2HB SER 46 -11.884 4.276 9.656 407 2HB SER 46 1HB SER 46 -11.553 2.949 10.751 408 HG SER 46 HG SER 46 -11.741 5.747 11.295 409 QB SER 46 QB SER 46 -11.719 3.612 10.204 410 H GLY 47 H GLY 47 -13.258 5.364 12.662 411 1HA GLY 47 1HA GLY 47 -15.018 4.952 14.572 412 2HA GLY 47 2HA GLY 47 -14.022 3.530 14.808 413 QA GLY 47 QA GLY 47 -14.520 4.241 14.690 414 H LEU 48 H LEU 48 -11.642 5.256 13.663 415 HA LEU 48 HA LEU 48 -10.617 5.962 16.184 416 1HB LEU 48 1HB LEU 48 -9.733 6.335 13.340 417 2HB LEU 48 2HB LEU 48 -8.855 7.098 14.652 418 HG LEU 48 HG LEU 48 -9.400 4.125 14.588 419 1HD1 LEU 48 1HD1 LEU 48 -7.210 5.699 13.255 420 2HD1 LEU 48 2HD1 LEU 48 -6.926 4.039 13.832 421 3HD1 LEU 48 3HD1 LEU 48 -8.191 4.356 12.620 422 1HD2 LEU 48 1HD2 LEU 48 -8.082 5.954 16.430 423 2HD2 LEU 48 2HD2 LEU 48 -8.586 4.262 16.655 424 3HD2 LEU 48 3HD2 LEU 48 -7.012 4.630 15.911 425 MD1 LEU 48 MD1 LEU 48 -7.442 4.698 13.236 426 MD2 LEU 48 MD2 LEU 48 -7.893 4.949 16.332 427 QB LEU 48 QB LEU 48 -9.294 6.717 13.996 428 QD LEU 48 QD LEU 48 -7.668 4.823 14.784 429 HA PRO 49 HA PRO 49 -11.900 10.062 16.588 430 1HB PRO 49 1HB PRO 49 -9.794 11.269 17.843 431 2HB PRO 49 2HB PRO 49 -10.957 10.259 18.679 432 1HG PRO 49 1HG PRO 49 -8.176 9.628 17.900 433 2HG PRO 49 2HG PRO 49 -9.194 8.827 19.080 434 1HD PRO 49 1HD PRO 49 -8.568 7.896 16.440 435 2HD PRO 49 2HD PRO 49 -9.677 7.155 17.577 436 QB PRO 49 QB PRO 49 -10.376 10.764 18.261 437 QG PRO 49 QG PRO 49 -8.685 9.228 18.490 438 QD PRO 49 QD PRO 49 -9.122 7.526 17.008 439 H ASP 50 H ASP 50 -10.881 12.541 16.492 440 HA ASP 50 HA ASP 50 -10.331 12.661 13.678 441 1HB ASP 50 1HB ASP 50 -11.735 14.264 15.499 442 2HB ASP 50 2HB ASP 50 -10.276 15.192 15.212 443 HD2 ASP 50 HD2 ASP 50 -11.502 16.832 13.761 444 QB ASP 50 QB ASP 50 -11.005 14.728 15.356 445 H LEU 51 H LEU 51 -8.838 13.336 16.878 446 HA LEU 51 HA LEU 51 -6.632 14.789 16.008 447 1HB LEU 51 2HB LEU 51 -7.657 14.088 18.389 448 2HB LEU 51 1HB LEU 51 -6.062 14.775 18.157 449 HG LEU 51 HG LEU 51 -5.390 12.200 17.909 450 1HD1 LEU 51 1HD1 LEU 51 -5.272 14.184 19.955 451 2HD1 LEU 51 2HD1 LEU 51 -5.576 12.605 20.719 452 3HD1 LEU 51 3HD1 LEU 51 -4.169 12.821 19.650 453 1HD2 LEU 51 1HD2 LEU 51 -7.891 11.626 18.227 454 2HD2 LEU 51 2HD2 LEU 51 -6.671 10.680 19.113 455 3HD2 LEU 51 3HD2 LEU 51 -7.588 11.956 19.949 456 MD1 LEU 51 MD1 LEU 51 -5.006 13.203 20.108 457 MD2 LEU 51 MD2 LEU 51 -7.383 11.421 19.096 458 QB LEU 51 QB LEU 51 -6.860 14.431 18.273 459 QD LEU 51 QD LEU 51 -6.194 12.312 19.602 460 H ILE 52 H ILE 52 -7.024 11.226 16.577 461 HA ILE 52 HA ILE 52 -4.431 10.591 15.728 462 HB ILE 52 HB ILE 52 -6.988 9.055 16.070 463 1HG1 ILE 52 1HG1 ILE 52 -5.256 9.947 17.917 464 2HG1 ILE 52 2HG1 ILE 52 -6.175 8.466 18.093 465 1HG2 ILE 52 1HG2 ILE 52 -4.493 8.182 14.687 466 2HG2 ILE 52 2HG2 ILE 52 -5.281 7.038 15.800 467 3HG2 ILE 52 3HG2 ILE 52 -6.187 7.704 14.420 468 1HD1 ILE 52 1HD1 ILE 52 -3.558 8.278 16.627 469 2HD1 ILE 52 2HD1 ILE 52 -3.502 8.520 18.390 470 3HD1 ILE 52 3HD1 ILE 52 -4.337 7.102 17.712 471 MG ILE 52 MG ILE 52 -5.320 7.641 14.969 472 MD ILE 52 MD ILE 52 -3.799 7.967 17.576 473 QG ILE 52 QG ILE 52 -5.716 9.206 18.005 474 H LEU 53 H LEU 53 -7.520 11.118 14.015 475 HA LEU 53 HA LEU 53 -6.726 9.988 11.576 476 1HB LEU 53 1HB LEU 53 -8.921 11.596 12.635 477 2HB LEU 53 2HB LEU 53 -8.535 11.990 10.971 478 HG LEU 53 HG LEU 53 -9.130 9.193 11.973 479 1HD1 LEU 53 1HD1 LEU 53 -10.918 11.360 11.499 480 2HD1 LEU 53 2HD1 LEU 53 -11.140 10.161 10.201 481 3HD1 LEU 53 3HD1 LEU 53 -11.292 9.668 11.905 482 1HD2 LEU 53 1HD2 LEU 53 -8.390 10.332 9.312 483 2HD2 LEU 53 2HD2 LEU 53 -7.938 8.785 10.068 484 3HD2 LEU 53 3HD2 LEU 53 -9.562 8.993 9.370 485 MD1 LEU 53 MD1 LEU 53 -11.117 10.396 11.202 486 MD2 LEU 53 MD2 LEU 53 -8.630 9.370 9.583 487 QB LEU 53 QB LEU 53 -8.728 11.793 11.803 488 QD LEU 53 QD LEU 53 -9.873 9.883 10.393 489 H GLY 54 H GLY 54 -6.780 13.449 12.689 490 1HA GLY 54 1HA GLY 54 -5.780 14.763 10.589 491 2HA GLY 54 2HA GLY 54 -5.289 15.101 12.236 492 QA GLY 54 QA GLY 54 -5.534 14.932 11.412 493 H LYS 55 H LYS 55 -3.852 12.701 12.861 494 HA LYS 55 HA LYS 55 -1.361 13.330 11.779 495 1HB LYS 55 1HB LYS 55 -2.488 11.174 13.512 496 2HB LYS 55 2HB LYS 55 -0.923 10.885 12.779 497 1HG LYS 55 1HG LYS 55 -1.023 13.607 13.817 498 2HG LYS 55 2HG LYS 55 -1.502 12.484 15.074 499 1HD LYS 55 1HD LYS 55 0.829 11.516 13.541 500 2HD LYS 55 2HD LYS 55 1.131 13.069 14.295 501 1HE LYS 55 1HE LYS 55 -0.190 11.621 16.310 502 2HE LYS 55 2HE LYS 55 0.821 10.412 15.544 503 QB LYS 55 QB LYS 55 -1.705 11.030 13.145 504 QD LYS 55 QD LYS 55 0.980 12.292 13.918 505 QG LYS 55 QG LYS 55 -1.262 13.045 14.445 506 QE LYS 55 QE LYS 55 0.315 11.017 15.927 507 QZ LYS 55 QZ LYS 55 2.121 12.586 16.358 508 H ILE 56 H ILE 56 -3.694 10.661 11.034 509 HA ILE 56 HA ILE 56 -2.145 9.363 9.161 510 HB ILE 56 HB ILE 56 -5.129 9.683 9.439 511 1HG1 ILE 56 1HG1 ILE 56 -3.107 7.650 10.374 512 2HG1 ILE 56 2HG1 ILE 56 -4.275 8.553 11.319 513 1HG2 ILE 56 1HG2 ILE 56 -4.226 9.092 7.072 514 2HG2 ILE 56 2HG2 ILE 56 -3.858 7.510 7.799 515 3HG2 ILE 56 3HG2 ILE 56 -5.532 8.115 7.786 516 1HD1 ILE 56 1HD1 ILE 56 -4.982 6.441 9.229 517 2HD1 ILE 56 2HD1 ILE 56 -4.984 6.188 10.991 518 3HD1 ILE 56 3HD1 ILE 56 -6.140 7.323 10.253 519 MG ILE 56 MG ILE 56 -4.538 8.239 7.552 520 MD ILE 56 MD ILE 56 -5.369 6.651 10.158 521 QG ILE 56 QG ILE 56 -3.691 8.102 10.846 522 H TRP 57 H TRP 57 -4.595 11.995 8.643 523 HA TRP 57 HA TRP 57 -4.252 12.221 5.915 524 1HB TRP 57 1HB TRP 57 -6.005 13.270 7.419 525 2HB TRP 57 2HB TRP 57 -4.828 14.515 7.788 526 HD1 TRP 57 HD1 TRP 57 -4.181 16.222 5.730 527 HE1 TRP 57 HE1 TRP 57 -5.403 16.952 3.508 528 HE3 TRP 57 HE3 TRP 57 -7.477 12.350 5.648 529 HZ2 TRP 57 HZ2 TRP 57 -7.562 15.854 1.999 530 HZ3 TRP 57 HZ3 TRP 57 -9.108 12.254 3.766 531 HH2 TRP 57 HH2 TRP 57 -9.185 13.923 1.982 532 QB TRP 57 QB TRP 57 -5.417 13.892 7.603 533 H ASP 58 H ASP 58 -2.627 14.033 8.620 534 HA ASP 58 HA ASP 58 -1.042 15.652 7.241 535 1HB ASP 58 1HB ASP 58 -1.181 15.130 9.804 536 2HB ASP 58 2HB ASP 58 0.091 13.962 9.504 537 HD2 ASP 58 HD2 ASP 58 2.095 14.781 8.934 538 QB ASP 58 QB ASP 58 -0.545 14.546 9.654 539 H LEU 59 H LEU 59 -0.475 12.143 7.972 540 HA LEU 59 HA LEU 59 2.013 12.099 6.564 541 1HB LEU 59 1HB LEU 59 1.725 10.680 8.457 542 2HB LEU 59 2HB LEU 59 0.261 9.978 7.798 543 HG LEU 59 HG LEU 59 2.457 8.620 7.724 544 1HD1 LEU 59 1HD1 LEU 59 0.143 8.629 6.151 545 2HD1 LEU 59 2HD1 LEU 59 1.488 8.426 5.003 546 3HD1 LEU 59 3HD1 LEU 59 1.303 7.296 6.366 547 1HD2 LEU 59 1HD2 LEU 59 3.503 10.784 6.503 548 2HD2 LEU 59 2HD2 LEU 59 4.122 9.129 6.288 549 3HD2 LEU 59 3HD2 LEU 59 3.020 9.832 5.079 550 MD1 LEU 59 MD1 LEU 59 0.978 8.117 5.840 551 MD2 LEU 59 MD2 LEU 59 3.549 9.915 5.956 552 QB LEU 59 QB LEU 59 0.993 10.329 8.127 553 QD LEU 59 QD LEU 59 2.263 9.016 5.898 554 H ALA 60 H ALA 60 -1.414 11.613 5.831 555 HA ALA 60 HA ALA 60 -1.024 10.133 3.459 556 1HB ALA 60 2HB ALA 60 -3.347 11.971 4.130 557 2HB ALA 60 3HB ALA 60 -3.361 10.505 3.120 558 3HB ALA 60 1HB ALA 60 -3.136 10.370 4.881 559 MB ALA 60 MB ALA 60 -3.281 10.949 4.044 560 H ASP 61 H ASP 61 -2.056 13.597 3.899 561 HA ASP 61 HA ASP 61 -1.943 14.472 1.441 562 1HB ASP 61 1HB ASP 61 -2.385 16.041 3.190 563 2HB ASP 61 2HB ASP 61 -0.854 15.725 3.982 564 HD2 ASP 61 HD2 ASP 61 0.478 18.269 3.115 565 QB ASP 61 QB ASP 61 -1.620 15.883 3.586 566 H THR 62 H THR 62 -0.414 14.601 -0.226 567 HA THR 62 HA THR 62 2.363 14.996 0.344 568 HB THR 62 HB THR 62 1.288 12.276 -0.531 569 HG1 THR 62 HG1 THR 62 3.316 13.272 1.343 570 1HG2 THR 62 1HG2 THR 62 3.189 12.986 -2.063 571 2HG2 THR 62 2HG2 THR 62 4.186 13.265 -0.615 572 3HG2 THR 62 3HG2 THR 62 3.615 11.624 -0.999 573 MG THR 62 MG THR 62 3.663 12.625 -1.226 574 H ASP 63 H ASP 63 -0.181 14.049 -2.024 575 HA ASP 63 HA ASP 63 1.126 14.629 -4.304 576 1HB ASP 63 1HB ASP 63 -1.228 13.756 -4.079 577 2HB ASP 63 2HB ASP 63 -1.763 15.364 -3.634 578 HD2 ASP 63 HD2 ASP 63 -2.767 15.886 -6.576 579 QB ASP 63 QB ASP 63 -1.495 14.560 -3.856 580 H GLY 64 H GLY 64 -0.839 16.875 -2.212 581 1HA GLY 64 1HA GLY 64 0.572 19.050 -1.979 582 2HA GLY 64 2HA GLY 64 0.214 19.182 -3.689 583 QA GLY 64 QA GLY 64 0.393 19.116 -2.834 584 H LYS 65 H LYS 65 -2.283 18.693 -4.212 585 HA LYS 65 HA LYS 65 -3.719 20.655 -2.702 586 1HB LYS 65 1HB LYS 65 -3.778 19.644 -5.324 587 2HB LYS 65 2HB LYS 65 -5.306 19.159 -4.619 588 1HG LYS 65 1HG LYS 65 -5.701 21.517 -3.864 589 2HG LYS 65 2HG LYS 65 -4.178 21.999 -4.585 590 1HD LYS 65 1HD LYS 65 -5.008 21.920 -6.737 591 2HD LYS 65 2HD LYS 65 -6.001 20.512 -6.419 592 1HE LYS 65 1HE LYS 65 -7.775 21.942 -6.415 593 2HE LYS 65 2HE LYS 65 -7.222 22.452 -4.832 594 QB LYS 65 QB LYS 65 -4.542 19.401 -4.971 595 QD LYS 65 QD LYS 65 -5.504 21.216 -6.578 596 QG LYS 65 QG LYS 65 -4.940 21.758 -4.225 597 QE LYS 65 QE LYS 65 -7.499 22.197 -5.624 598 QZ LYS 65 QZ LYS 65 -6.203 23.911 -6.780 599 H GLY 66 H GLY 66 -5.918 20.228 -1.789 600 1HA GLY 66 1HA GLY 66 -5.868 18.316 0.197 601 2HA GLY 66 2HA GLY 66 -7.305 19.110 -0.417 602 QA GLY 66 QA GLY 66 -6.587 18.713 -0.110 603 H VAL 67 H VAL 67 -7.380 18.164 -3.097 604 HA VAL 67 HA VAL 67 -8.808 15.907 -2.955 605 HB VAL 67 HB VAL 67 -6.874 16.554 -5.185 606 1HG1 VAL 67 1HG1 VAL 67 -8.429 14.370 -5.008 607 2HG1 VAL 67 2HG1 VAL 67 -9.618 15.508 -5.687 608 3HG1 VAL 67 3HG1 VAL 67 -8.092 15.195 -6.549 609 1HG2 VAL 67 1HG2 VAL 67 -9.170 18.049 -4.150 610 2HG2 VAL 67 2HG2 VAL 67 -7.904 18.543 -5.300 611 3HG2 VAL 67 3HG2 VAL 67 -9.327 17.642 -5.876 612 MG1 VAL 67 MG1 VAL 67 -8.713 15.025 -5.748 613 MG2 VAL 67 MG2 VAL 67 -8.801 18.078 -5.109 614 QG VAL 67 QG VAL 67 -8.757 16.551 -5.428 615 H LEU 68 H LEU 68 -8.457 13.630 -3.199 616 HA LEU 68 HA LEU 68 -5.804 12.843 -2.249 617 1HB LEU 68 1HB LEU 68 -8.531 11.580 -2.073 618 2HB LEU 68 2HB LEU 68 -7.067 10.672 -1.756 619 HG LEU 68 HG LEU 68 -8.235 12.970 -0.199 620 1HD1 LEU 68 1HD1 LEU 68 -8.656 10.380 0.138 621 2HD1 LEU 68 2HD1 LEU 68 -7.107 10.481 1.009 622 3HD1 LEU 68 3HD1 LEU 68 -8.483 11.487 1.522 623 1HD2 LEU 68 1HD2 LEU 68 -5.360 12.070 -0.254 624 2HD2 LEU 68 2HD2 LEU 68 -6.029 13.719 -0.308 625 3HD2 LEU 68 3HD2 LEU 68 -6.086 12.785 1.206 626 MD1 LEU 68 MD1 LEU 68 -8.082 10.783 0.890 627 MD2 LEU 68 MD2 LEU 68 -5.825 12.858 0.215 628 QB LEU 68 QB LEU 68 -7.799 11.126 -1.914 629 QD LEU 68 QD LEU 68 -6.953 11.820 0.552 630 H SER 69 H SER 69 -5.604 10.241 -3.036 631 HA SER 69 HA SER 69 -6.159 10.172 -5.861 632 1HB SER 69 2HB SER 69 -3.897 9.886 -6.568 633 2HB SER 69 1HB SER 69 -3.320 9.640 -4.932 634 HG SER 69 HG SER 69 -3.366 11.799 -4.523 635 QB SER 69 QB SER 69 -3.609 9.763 -5.750 636 H LYS 70 H LYS 70 -5.241 7.903 -6.743 637 HA LYS 70 HA LYS 70 -6.581 5.897 -5.530 638 1HB LYS 70 1HB LYS 70 -4.776 4.415 -6.722 639 2HB LYS 70 2HB LYS 70 -5.892 5.389 -7.657 640 1HG LYS 70 1HG LYS 70 -3.468 6.888 -6.868 641 2HG LYS 70 2HG LYS 70 -3.097 5.471 -7.830 642 1HD LYS 70 1HD LYS 70 -4.060 6.339 -9.728 643 2HD LYS 70 2HD LYS 70 -5.408 7.037 -8.852 644 1HE LYS 70 1HE LYS 70 -4.390 9.076 -8.682 645 2HE LYS 70 2HE LYS 70 -2.862 8.372 -8.193 646 QB LYS 70 QB LYS 70 -5.334 4.902 -7.190 647 QD LYS 70 QD LYS 70 -4.734 6.688 -9.290 648 QG LYS 70 QG LYS 70 -3.283 6.180 -7.349 649 QE LYS 70 QE LYS 70 -3.626 8.724 -8.438 650 QZ LYS 70 QZ LYS 70 -2.631 8.852 -10.449 651 H GLN 71 H GLN 71 -3.026 5.486 -5.505 652 HA GLN 71 HA GLN 71 -2.875 3.951 -3.351 653 1HB GLN 71 1HB GLN 71 -1.060 5.409 -4.940 654 2HB GLN 71 2HB GLN 71 -0.680 5.897 -3.300 655 1HG GLN 71 1HG GLN 71 -1.147 3.008 -3.429 656 2HG GLN 71 2HG GLN 71 0.079 3.483 -4.587 657 2HE2 GLN 71 1HE2 GLN 71 -0.051 2.127 -1.824 658 1HE2 GLN 71 2HE2 GLN 71 1.222 2.870 -0.914 659 QB GLN 71 QB GLN 71 -0.870 5.653 -4.120 660 QG GLN 71 QG GLN 71 -0.534 3.245 -4.008 661 QE GLN 71 QE GLN 71 0.585 2.499 -1.369 662 H GLU 72 H GLU 72 -2.726 7.580 -3.295 663 HA GLU 72 HA GLU 72 -2.277 8.061 -0.736 664 1HB GLU 72 1HB GLU 72 -3.864 9.382 -2.854 665 2HB GLU 72 2HB GLU 72 -4.356 9.843 -1.236 666 1HG GLU 72 1HG GLU 72 -1.540 9.871 -1.113 667 2HG GLU 72 2HG GLU 72 -1.893 10.521 -2.702 668 HE2 GLU 72 HE2 GLU 72 -3.599 11.612 0.572 669 QB GLU 72 QB GLU 72 -4.110 9.613 -2.045 670 QG GLU 72 QG GLU 72 -1.716 10.196 -1.908 671 H PHE 73 H PHE 73 -5.724 7.949 -1.893 672 HA PHE 73 HA PHE 73 -6.805 7.650 0.630 673 1HB PHE 73 1HB PHE 73 -8.137 8.294 -1.322 674 2HB PHE 73 2HB PHE 73 -7.623 6.880 -2.221 675 HD1 PHE 73 HD1 PHE 73 -8.634 4.699 -1.797 676 HD2 PHE 73 HD2 PHE 73 -9.915 8.146 0.320 677 HE1 PHE 73 HE1 PHE 73 -10.699 3.477 -1.058 678 HE2 PHE 73 HE2 PHE 73 -11.980 6.925 1.059 679 HZ PHE 73 HZ PHE 73 -12.347 4.605 0.362 680 QB PHE 73 QB PHE 73 -7.880 7.587 -1.771 681 QD PHE 73 QD PHE 73 -9.275 6.422 -0.738 682 QE PHE 73 QE PHE 73 -11.339 5.201 0.001 683 QR PHE 73 QR PHE 73 -10.307 5.812 -0.369 684 H PHE 74 H PHE 74 -5.515 5.230 -1.668 685 HA PHE 74 HA PHE 74 -6.629 3.007 -0.305 686 1HB PHE 74 1HB PHE 74 -4.731 3.683 -2.526 687 2HB PHE 74 2HB PHE 74 -4.350 2.171 -1.726 688 HD1 PHE 74 HD1 PHE 74 -7.294 3.953 -3.178 689 HD2 PHE 74 HD2 PHE 74 -5.346 0.243 -2.510 690 HE1 PHE 74 HE1 PHE 74 -9.046 2.787 -4.546 691 HE2 PHE 74 HE2 PHE 74 -7.097 -0.923 -3.878 692 HZ PHE 74 HZ PHE 74 -8.926 0.363 -4.880 693 QB PHE 74 QB PHE 74 -4.541 2.927 -2.126 694 QD PHE 74 QD PHE 74 -6.320 2.098 -2.844 695 QE PHE 74 QE PHE 74 -8.071 0.932 -4.212 696 QR PHE 74 QR PHE 74 -7.196 1.515 -3.528 697 H VAL 75 H VAL 75 -4.255 5.218 0.623 698 HA VAL 75 HA VAL 75 -2.696 3.181 2.034 699 HB VAL 75 HB VAL 75 -2.206 5.953 1.058 700 1HG1 VAL 75 1HG1 VAL 75 -1.057 4.798 3.596 701 2HG1 VAL 75 2HG1 VAL 75 -0.110 5.923 2.593 702 3HG1 VAL 75 3HG1 VAL 75 -1.670 6.438 3.278 703 1HG2 VAL 75 1HG2 VAL 75 -0.626 3.367 1.140 704 2HG2 VAL 75 2HG2 VAL 75 -1.339 4.171 -0.278 705 3HG2 VAL 75 3HG2 VAL 75 0.043 4.913 0.564 706 MG1 VAL 75 MG1 VAL 75 -0.946 5.720 3.156 707 MG2 VAL 75 MG2 VAL 75 -0.640 4.150 0.476 708 QG VAL 75 QG VAL 75 -0.793 4.935 1.816 709 H ALA 76 H ALA 76 -4.489 6.296 2.505 710 HA ALA 76 HA ALA 76 -4.231 6.401 5.262 711 1HB ALA 76 3HB ALA 76 -5.357 8.307 4.880 712 2HB ALA 76 1HB ALA 76 -5.546 7.810 3.181 713 3HB ALA 76 2HB ALA 76 -6.801 7.397 4.374 714 MB ALA 76 MB ALA 76 -5.901 7.838 4.145 715 H LEU 77 H LEU 77 -6.126 4.292 3.186 716 HA LEU 77 HA LEU 77 -8.186 3.649 4.940 717 1HB LEU 77 1HB LEU 77 -7.086 2.707 2.442 718 2HB LEU 77 2HB LEU 77 -7.546 1.353 3.454 719 HG LEU 77 HG LEU 77 -9.333 3.630 2.563 720 1HD1 LEU 77 1HD1 LEU 77 -8.781 1.946 0.832 721 2HD1 LEU 77 2HD1 LEU 77 -9.449 0.679 1.888 722 3HD1 LEU 77 3HD1 LEU 77 -10.508 1.967 1.266 723 1HD2 LEU 77 1HD2 LEU 77 -9.752 1.459 4.592 724 2HD2 LEU 77 2HD2 LEU 77 -10.208 3.179 4.649 725 3HD2 LEU 77 3HD2 LEU 77 -11.122 2.050 3.621 726 MD1 LEU 77 MD1 LEU 77 -9.579 1.531 1.328 727 MD2 LEU 77 MD2 LEU 77 -10.360 2.230 4.287 728 QB LEU 77 QB LEU 77 -7.316 2.030 2.948 729 QD LEU 77 QD LEU 77 -9.970 1.880 2.808 730 H ARG 78 H ARG 78 -5.453 1.397 4.184 731 HA ARG 78 HA ARG 78 -5.766 -0.120 6.390 732 1HB ARG 78 1HB ARG 78 -3.444 0.508 4.574 733 2HB ARG 78 2HB ARG 78 -3.080 -0.369 6.047 734 1HG ARG 78 2HG ARG 78 -4.789 -2.090 5.457 735 2HG ARG 78 1HG ARG 78 -3.540 -1.964 4.234 736 1HD ARG 78 1HD ARG 78 -5.249 -0.173 3.169 737 2HD ARG 78 2HD ARG 78 -5.395 -1.889 2.841 738 HE ARG 78 HE ARG 78 -7.208 -0.263 4.461 739 1HH1 ARG 78 1HH1 ARG 78 -6.049 -3.560 3.879 740 2HH1 ARG 78 2HH1 ARG 78 -7.471 -4.307 4.525 741 2HH2 ARG 78 HH2 ARG 78 -9.244 -2.929 5.362 742 QB ARG 78 QB ARG 78 -3.262 0.070 5.310 743 QG ARG 78 QG ARG 78 -4.165 -2.027 4.845 744 QD ARG 78 QD ARG 78 -5.322 -1.031 3.005 745 QH1 ARG 78 QH1 ARG 78 -6.760 -3.934 4.202 746 H LEU 79 H LEU 79 -3.702 2.826 5.960 747 HA LEU 79 HA LEU 79 -2.292 2.874 8.245 748 1HB LEU 79 1HB LEU 79 -2.598 4.567 6.263 749 2HB LEU 79 2HB LEU 79 -3.700 5.364 7.369 750 HG LEU 79 HG LEU 79 -0.732 4.915 7.682 751 1HD1 LEU 79 1HD1 LEU 79 -2.159 7.002 6.606 752 2HD1 LEU 79 2HD1 LEU 79 -1.889 7.542 8.281 753 3HD1 LEU 79 3HD1 LEU 79 -0.504 7.097 7.255 754 1HD2 LEU 79 1HD2 LEU 79 -2.699 5.732 9.836 755 2HD2 LEU 79 2HD2 LEU 79 -1.652 4.292 9.814 756 3HD2 LEU 79 3HD2 LEU 79 -0.932 5.914 9.951 757 MD1 LEU 79 MD1 LEU 79 -1.517 7.214 7.381 758 MD2 LEU 79 MD2 LEU 79 -1.761 5.313 9.867 759 QB LEU 79 QB LEU 79 -3.149 4.966 6.816 760 QD LEU 79 QD LEU 79 -1.639 6.263 8.624 761 H VAL 80 H VAL 80 -5.777 3.729 7.864 762 HA VAL 80 HA VAL 80 -6.156 4.581 10.494 763 HB VAL 80 HB VAL 80 -8.045 3.349 8.481 764 1HG1 VAL 80 1HG1 VAL 80 -8.748 3.328 10.972 765 2HG1 VAL 80 2HG1 VAL 80 -8.882 5.094 10.796 766 3HG1 VAL 80 3HG1 VAL 80 -9.873 4.020 9.780 767 1HG2 VAL 80 1HG2 VAL 80 -6.683 5.782 8.409 768 2HG2 VAL 80 2HG2 VAL 80 -8.123 5.339 7.461 769 3HG2 VAL 80 3HG2 VAL 80 -8.306 6.205 9.006 770 MG1 VAL 80 MG1 VAL 80 -9.168 4.147 10.516 771 MG2 VAL 80 MG2 VAL 80 -7.704 5.775 8.292 772 QG VAL 80 QG VAL 80 -8.436 4.961 9.404 773 H ALA 81 H ALA 81 -6.528 1.338 8.927 774 HA ALA 81 HA ALA 81 -7.418 0.045 11.250 775 1HB ALA 81 1HB ALA 81 -7.207 -0.577 8.605 776 2HB ALA 81 3HB ALA 81 -7.475 -1.783 9.887 777 3HB ALA 81 2HB ALA 81 -5.833 -1.498 9.262 778 MB ALA 81 MB ALA 81 -6.838 -1.286 9.251 779 H CYS 82 H CYS 82 -4.352 1.375 10.361 780 HA CYS 82 HA CYS 82 -2.722 -0.482 11.724 781 1HB CYS 82 1HB CYS 82 -2.293 1.670 10.018 782 2HB CYS 82 2HB CYS 82 -1.659 2.246 11.547 783 HG CYS 82 HG CYS 82 -0.023 0.481 11.751 784 QB CYS 82 QB CYS 82 -1.976 1.958 10.783 785 H ALA 83 H ALA 83 -3.673 2.955 12.498 786 HA ALA 83 HA ALA 83 -2.817 2.836 15.151 787 1HB ALA 83 3HB ALA 83 -3.571 5.002 15.230 788 2HB ALA 83 2HB ALA 83 -5.097 4.616 14.400 789 3HB ALA 83 1HB ALA 83 -3.594 4.791 13.463 790 MB ALA 83 MB ALA 83 -4.087 4.803 14.364 791 H GLN 84 H GLN 84 -5.529 1.395 13.544 792 HA GLN 84 HA GLN 84 -7.296 1.447 15.728 793 1HB GLN 84 1HB GLN 84 -7.138 -0.231 13.198 794 2HB GLN 84 2HB GLN 84 -8.405 -0.472 14.384 795 1HG GLN 84 1HG GLN 84 -8.092 2.377 13.763 796 2HG GLN 84 2HG GLN 84 -8.364 1.450 12.301 797 2HE2 GLN 84 1HE2 GLN 84 -10.015 -0.477 12.823 798 1HE2 GLN 84 2HE2 GLN 84 -11.526 0.049 13.487 799 QB GLN 84 QB GLN 84 -7.771 -0.352 13.791 800 QG GLN 84 QG GLN 84 -8.228 1.913 13.032 801 QE GLN 84 QE GLN 84 -10.771 -0.214 13.155 802 H ASN 85 H ASN 85 -4.324 -0.093 15.302 803 HA ASN 85 HA ASN 85 -5.150 -2.259 17.070 804 1HB ASN 85 1HB ASN 85 -3.994 -2.622 14.651 805 2HB ASN 85 2HB ASN 85 -2.526 -2.332 15.565 806 2HD2 ASN 85 1HD2 ASN 85 -5.554 -4.190 15.656 807 1HD2 ASN 85 2HD2 ASN 85 -4.908 -5.636 16.358 808 QB ASN 85 QB ASN 85 -3.260 -2.477 15.108 809 QD ASN 85 QD ASN 85 -5.231 -4.913 16.007 810 H GLY 86 H GLY 86 -3.596 0.742 16.833 811 1HA GLY 86 1HA GLY 86 -2.680 1.763 18.756 812 2HA GLY 86 2HA GLY 86 -2.026 0.221 19.269 813 QA GLY 86 QA GLY 86 -2.353 0.992 19.012 814 H LEU 87 H LEU 87 -1.649 0.478 15.894 815 HA LEU 87 HA LEU 87 1.172 0.862 16.199 816 1HB LEU 87 1HB LEU 87 -0.628 0.342 13.836 817 2HB LEU 87 2HB LEU 87 1.101 0.581 13.684 818 HG LEU 87 HG LEU 87 -0.182 -1.598 15.353 819 1HD1 LEU 87 1HD1 LEU 87 -0.630 -1.806 12.902 820 2HD1 LEU 87 2HD1 LEU 87 1.129 -1.885 12.639 821 3HD1 LEU 87 3HD1 LEU 87 0.315 -3.145 13.598 822 1HD2 LEU 87 1HD2 LEU 87 2.511 -0.581 15.198 823 2HD2 LEU 87 2HD2 LEU 87 1.831 -1.844 16.252 824 3HD2 LEU 87 3HD2 LEU 87 2.455 -2.271 14.640 825 MD1 LEU 87 MD1 LEU 87 0.271 -2.279 13.046 826 MD2 LEU 87 MD2 LEU 87 2.266 -1.566 15.363 827 QB LEU 87 QB LEU 87 0.237 0.462 13.760 828 QD LEU 87 QD LEU 87 1.268 -1.922 14.205 829 H GLU 88 H GLU 88 2.443 2.556 15.256 830 HA GLU 88 HA GLU 88 1.660 5.041 15.767 831 1HB GLU 88 1HB GLU 88 3.928 3.964 14.805 832 2HB GLU 88 2HB GLU 88 3.355 4.671 13.308 833 1HG GLU 88 1HG GLU 88 3.438 6.881 14.158 834 2HG GLU 88 2HG GLU 88 3.355 6.353 15.827 835 HE2 GLU 88 HE2 GLU 88 6.090 7.686 15.691 836 QB GLU 88 QB GLU 88 3.642 4.317 14.056 837 QG GLU 88 QG GLU 88 3.396 6.617 14.992 838 H VAL 89 H VAL 89 1.250 6.950 14.209 839 HA VAL 89 HA VAL 89 -0.849 6.107 12.351 840 HB VAL 89 HB VAL 89 -0.318 8.866 13.451 841 1HG1 VAL 89 1HG1 VAL 89 -1.761 8.672 11.434 842 2HG1 VAL 89 2HG1 VAL 89 -2.854 7.608 12.352 843 3HG1 VAL 89 3HG1 VAL 89 -2.629 9.300 12.856 844 1HG2 VAL 89 1HG2 VAL 89 -1.378 6.506 14.818 845 2HG2 VAL 89 2HG2 VAL 89 -0.874 8.081 15.475 846 3HG2 VAL 89 3HG2 VAL 89 -2.517 7.874 14.822 847 MG1 VAL 89 MG1 VAL 89 -2.415 8.527 12.214 848 MG2 VAL 89 MG2 VAL 89 -1.590 7.487 15.038 849 QG VAL 89 QG VAL 89 -2.002 8.007 13.626 850 H SER 90 H SER 90 2.421 6.920 12.418 851 HA SER 90 HA SER 90 2.290 8.409 9.946 852 1HB SER 90 1HB SER 90 4.379 7.887 12.040 853 2HB SER 90 2HB SER 90 4.949 8.180 10.409 854 HG SER 90 HG SER 90 4.777 10.239 11.040 855 QB SER 90 QB SER 90 4.664 8.034 11.224 856 H LEU 91 H LEU 91 4.091 7.703 8.251 857 HA LEU 91 HA LEU 91 3.386 5.224 7.266 858 1HB LEU 91 1HB LEU 91 5.328 7.331 6.663 859 2HB LEU 91 2HB LEU 91 5.863 5.736 6.175 860 HG LEU 91 HG LEU 91 3.217 6.977 5.373 861 1HD1 LEU 91 1HD1 LEU 91 5.115 8.224 4.440 862 2HD1 LEU 91 2HD1 LEU 91 5.769 6.715 3.758 863 3HD1 LEU 91 3HD1 LEU 91 4.209 7.350 3.181 864 1HD2 LEU 91 1HD2 LEU 91 4.444 4.310 4.971 865 2HD2 LEU 91 2HD2 LEU 91 2.733 4.800 5.031 866 3HD2 LEU 91 3HD2 LEU 91 3.679 5.050 3.544 867 MD1 LEU 91 MD1 LEU 91 5.031 7.429 3.793 868 MD2 LEU 91 MD2 LEU 91 3.619 4.720 4.515 869 QB LEU 91 QB LEU 91 5.595 6.533 6.419 870 QD LEU 91 QD LEU 91 4.325 6.075 4.154 871 H SER 92 H SER 92 5.566 6.083 9.847 872 HA SER 92 HA SER 92 7.361 4.008 9.669 873 1HB SER 92 1HB SER 92 7.025 6.124 11.341 874 2HB SER 92 2HB SER 92 6.430 4.854 12.391 875 HG SER 92 HG SER 92 8.888 5.447 12.266 876 QB SER 92 QB SER 92 6.728 5.489 11.866 877 H SER 93 H SER 93 3.959 3.974 10.279 878 HA SER 93 HA SER 93 4.174 1.400 11.615 879 1HB SER 93 1HB SER 93 1.657 1.769 11.996 880 2HB SER 93 2HB SER 93 2.746 2.833 12.865 881 HG SER 93 HG SER 93 0.838 3.447 10.950 882 QB SER 93 QB SER 93 2.201 2.301 12.431 883 H LEU 94 H LEU 94 3.594 2.931 8.576 884 HA LEU 94 HA LEU 94 1.851 0.852 7.583 885 1HB LEU 94 1HB LEU 94 2.983 3.412 6.526 886 2HB LEU 94 2HB LEU 94 2.382 2.212 5.400 887 HG LEU 94 HG LEU 94 0.830 3.646 7.566 888 1HD1 LEU 94 1HD1 LEU 94 0.920 3.769 4.570 889 2HD1 LEU 94 2HD1 LEU 94 -0.591 4.154 5.429 890 3HD1 LEU 94 3HD1 LEU 94 0.888 5.085 5.769 891 1HD2 LEU 94 1HD2 LEU 94 0.093 1.207 5.957 892 2HD2 LEU 94 2HD2 LEU 94 -0.074 1.501 7.705 893 3HD2 LEU 94 3HD2 LEU 94 -1.145 2.338 6.556 894 MD1 LEU 94 MD1 LEU 94 0.405 4.336 5.256 895 MD2 LEU 94 MD2 LEU 94 -0.375 1.682 6.739 896 QB LEU 94 QB LEU 94 2.682 2.812 5.963 897 QD LEU 94 QD LEU 94 0.015 3.009 5.998 898 H SER 95 H SER 95 2.625 0.035 5.216 899 HA SER 95 HA SER 95 4.114 -1.014 3.987 900 1HB SER 95 2HB SER 95 5.817 0.716 5.061 901 2HB SER 95 1HB SER 95 6.404 -0.667 4.158 902 HG SER 95 HG SER 95 6.123 -0.522 7.040 903 QB SER 95 QB SER 95 6.110 0.025 4.610 904 H LEU 96 H LEU 96 2.924 -1.727 6.966 905 HA LEU 96 HA LEU 96 4.206 -4.366 7.060 906 1HB LEU 96 1HB LEU 96 2.586 -3.571 9.358 907 2HB LEU 96 2HB LEU 96 4.180 -4.297 9.286 908 HG LEU 96 HG LEU 96 3.769 -1.372 8.674 909 1HD1 LEU 96 1HD1 LEU 96 2.759 -1.804 10.871 910 2HD1 LEU 96 2HD1 LEU 96 4.274 -2.562 11.415 911 3HD1 LEU 96 3HD1 LEU 96 4.244 -0.832 10.999 912 1HD2 LEU 96 1HD2 LEU 96 5.921 -2.686 8.130 913 2HD2 LEU 96 2HD2 LEU 96 6.064 -1.136 8.995 914 3HD2 LEU 96 3HD2 LEU 96 6.199 -2.670 9.888 915 MD1 LEU 96 MD1 LEU 96 3.759 -1.733 11.095 916 MD2 LEU 96 MD2 LEU 96 6.061 -2.164 9.005 917 QB LEU 96 QB LEU 96 3.383 -3.934 9.322 918 QD LEU 96 QD LEU 96 4.910 -1.948 10.050 919 H ALA 97 H ALA 97 2.249 -5.731 8.534 920 HA ALA 97 HA ALA 97 0.170 -5.914 6.490 921 1HB ALA 97 3HB ALA 97 0.230 -8.148 6.871 922 2HB ALA 97 1HB ALA 97 1.776 -7.812 7.687 923 3HB ALA 97 2HB ALA 97 0.277 -7.940 8.638 924 MB ALA 97 MB ALA 97 0.761 -7.966 7.732 925 H VAL 98 H VAL 98 -0.414 -3.677 7.697 926 HA VAL 98 HA VAL 98 -1.445 -3.489 10.160 927 HB VAL 98 HB VAL 98 -2.854 -1.751 9.331 928 1HG1 VAL 98 1HG1 VAL 98 -0.237 -1.675 9.089 929 2HG1 VAL 98 2HG1 VAL 98 -0.600 -1.665 7.346 930 3HG1 VAL 98 3HG1 VAL 98 -1.243 -0.379 8.397 931 1HG2 VAL 98 1HG2 VAL 98 -3.476 -3.436 7.260 932 2HG2 VAL 98 2HG2 VAL 98 -3.899 -1.708 7.336 933 3HG2 VAL 98 3HG2 VAL 98 -2.446 -2.230 6.450 934 MG1 VAL 98 MG1 VAL 98 -0.693 -1.240 8.277 935 MG2 VAL 98 MG2 VAL 98 -3.274 -2.458 7.015 936 QG VAL 98 QG VAL 98 -1.983 -1.849 7.646 937 HA PRO 99 HA PRO 99 -4.764 -6.244 10.441 938 1HB PRO 99 1HB PRO 99 -6.143 -5.177 12.545 939 2HB PRO 99 2HB PRO 99 -4.716 -6.175 12.742 940 1HG PRO 99 1HG PRO 99 -4.984 -3.246 13.037 941 2HG PRO 99 2HG PRO 99 -3.713 -4.297 13.628 942 1HD PRO 99 1HD PRO 99 -3.581 -2.558 11.351 943 2HD PRO 99 2HD PRO 99 -2.354 -3.694 11.875 944 QB PRO 99 QB PRO 99 -5.430 -5.676 12.644 945 QG PRO 99 QG PRO 99 -4.349 -3.771 13.333 946 QD PRO 99 QD PRO 99 -2.968 -3.126 11.613 947 HA PRO 100 HA PRO 100 -8.298 -4.873 8.522 948 1HB PRO 100 1HB PRO 100 -10.366 -6.264 9.643 949 2HB PRO 100 2HB PRO 100 -9.285 -6.951 8.447 950 1HG PRO 100 1HG PRO 100 -9.370 -7.434 11.362 951 2HG PRO 100 2HG PRO 100 -8.611 -8.399 10.112 952 1HD PRO 100 1HD PRO 100 -7.299 -6.628 11.947 953 2HD PRO 100 2HD PRO 100 -6.556 -7.504 10.623 954 QB PRO 100 QB PRO 100 -9.825 -6.608 9.045 955 QG PRO 100 QG PRO 100 -8.991 -7.916 10.737 956 QD PRO 100 QD PRO 100 -6.927 -7.066 11.285 957 HA PRO 101 HA PRO 101 -9.789 -1.577 10.795 958 1HB PRO 101 1HB PRO 101 -10.967 -0.178 8.764 959 2HB PRO 101 2HB PRO 101 -9.261 -0.059 9.146 960 1HG PRO 101 2HG PRO 101 -8.887 -0.985 7.068 961 2HG PRO 101 1HG PRO 101 -10.561 -1.473 6.900 962 1HD PRO 101 1HD PRO 101 -9.944 -3.631 7.393 963 2HD PRO 101 2HD PRO 101 -8.291 -3.121 7.674 964 QB PRO 101 QB PRO 101 -10.114 -0.118 8.955 965 QG PRO 101 QG PRO 101 -9.724 -1.229 6.984 966 QD PRO 101 QD PRO 101 -9.117 -3.376 7.534 967 H ARG 102 H ARG 102 -12.141 -0.142 10.258 968 HA ARG 102 HA ARG 102 -13.960 -2.211 11.131 969 1HB ARG 102 1HB ARG 102 -13.473 0.287 12.157 970 2HB ARG 102 2HB ARG 102 -14.814 0.667 11.096 971 1HG ARG 102 1HG ARG 102 -16.200 -0.083 12.730 972 2HG ARG 102 2HG ARG 102 -15.642 -1.703 12.361 973 1HD ARG 102 1HD ARG 102 -14.617 -1.843 14.382 974 2HD ARG 102 2HD ARG 102 -13.634 -0.441 14.011 975 HE ARG 102 HE ARG 102 -16.086 0.667 14.681 976 1HH1 ARG 102 1HH1 ARG 102 -13.891 -1.586 16.312 977 2HH1 ARG 102 2HH1 ARG 102 -14.365 -1.091 17.902 978 2HH2 ARG 102 HH2 ARG 102 -16.025 0.619 18.153 979 QB ARG 102 QB ARG 102 -14.144 0.477 11.627 980 QG ARG 102 QG ARG 102 -15.921 -0.893 12.546 981 QD ARG 102 QD ARG 102 -14.126 -1.142 14.196 982 QH1 ARG 102 QH1 ARG 102 -14.128 -1.339 17.107 983 H PHE 103 H PHE 103 -13.304 0.092 8.514 984 HA PHE 103 HA PHE 103 -15.628 0.537 7.305 985 1HB PHE 103 1HB PHE 103 -13.181 -0.673 5.895 986 2HB PHE 103 2HB PHE 103 -14.291 0.502 5.217 987 HD1 PHE 103 HD1 PHE 103 -14.506 2.577 7.182 988 HD2 PHE 103 HD2 PHE 103 -11.099 0.281 6.124 989 HE1 PHE 103 HE1 PHE 103 -13.011 4.438 7.959 990 HE2 PHE 103 HE2 PHE 103 -9.604 2.142 6.900 991 HZ PHE 103 HZ PHE 103 -10.578 4.198 7.809 992 QB PHE 103 QB PHE 103 -13.736 -0.086 5.556 993 QD PHE 103 QD PHE 103 -12.802 1.429 6.653 994 QE PHE 103 QE PHE 103 -11.307 3.290 7.429 995 QR PHE 103 QR PHE 103 -12.055 2.359 7.041 996 H HIS 104 H HIS 104 -16.715 -0.516 5.379 997 HA HIS 104 HA HIS 104 -17.521 -3.103 6.101 998 1HB HIS 104 1HB HIS 104 -18.183 -1.093 4.064 999 2HB HIS 104 2HB HIS 104 -18.372 -2.739 3.496 1000 HD1 HIS 104 HD1 HIS 104 -20.820 -3.228 3.635 1001 HD2 HIS 104 HD2 HIS 104 -19.402 -1.269 7.062 1002 HE1 HIS 104 HE1 HIS 104 -22.785 -3.117 5.259 1003 QB HIS 104 QB HIS 104 -18.277 -1.916 3.780 1004 H ASP 105 H ASP 105 -17.646 -4.794 4.048 1005 HA ASP 105 HA ASP 105 -15.355 -6.079 3.957 1006 1HB ASP 105 1HB ASP 105 -17.780 -6.104 2.468 1007 2HB ASP 105 2HB ASP 105 -16.506 -6.125 1.265 1008 HD2 ASP 105 HD2 ASP 105 -17.452 -8.055 4.162 1009 QB ASP 105 QB ASP 105 -17.143 -6.114 1.866 No H/Q in entry = 1009 Start of MODEL 22 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.681 0.808 -1.862 3 1HB LEU 7 1HB LEU 7 3.945 -0.455 -0.312 4 2HB LEU 7 2HB LEU 7 4.091 0.214 -1.925 5 HG LEU 7 HG LEU 7 3.215 1.823 0.487 6 1HD1 LEU 7 1HD1 LEU 7 5.652 0.766 0.367 7 2HD1 LEU 7 2HD1 LEU 7 5.929 2.162 -0.701 8 3HD1 LEU 7 3HD1 LEU 7 5.361 2.416 0.966 9 1HD2 LEU 7 1HD2 LEU 7 3.236 2.360 -2.335 10 2HD2 LEU 7 2HD2 LEU 7 2.684 3.387 -0.990 11 3HD2 LEU 7 3HD2 LEU 7 4.385 3.440 -1.510 12 MD1 LEU 7 MD1 LEU 7 5.647 1.781 0.210 13 MD2 LEU 7 MD2 LEU 7 3.435 3.062 -1.612 14 QB LEU 7 QB LEU 7 4.018 -0.121 -1.118 15 QD LEU 7 QD LEU 7 4.541 2.422 -0.701 16 H SER 8 H SER 8 3.268 -0.853 -3.381 17 HA SER 8 HA SER 8 2.296 -3.522 -3.122 18 1HB SER 8 1HB SER 8 1.188 -1.609 -5.157 19 2HB SER 8 2HB SER 8 1.514 -3.245 -5.695 20 HG SER 8 HG SER 8 0.047 -2.788 -3.263 21 QB SER 8 QB SER 8 1.351 -2.427 -5.426 22 H LEU 9 H LEU 9 3.044 -4.738 -5.371 23 HA LEU 9 HA LEU 9 5.847 -4.344 -5.445 24 1HB LEU 9 1HB LEU 9 4.006 -6.084 -7.092 25 2HB LEU 9 2HB LEU 9 5.757 -6.147 -7.154 26 HG LEU 9 HG LEU 9 3.906 -7.007 -4.949 27 1HD1 LEU 9 1HD1 LEU 9 5.960 -8.256 -6.711 28 2HD1 LEU 9 2HD1 LEU 9 5.768 -8.903 -5.064 29 3HD1 LEU 9 3HD1 LEU 9 4.376 -8.866 -6.174 30 1HD2 LEU 9 1HD2 LEU 9 6.724 -6.022 -4.642 31 2HD2 LEU 9 2HD2 LEU 9 5.307 -5.769 -3.596 32 3HD2 LEU 9 3HD2 LEU 9 6.125 -7.350 -3.620 33 MD1 LEU 9 MD1 LEU 9 5.368 -8.675 -5.983 34 MD2 LEU 9 MD2 LEU 9 6.052 -6.380 -3.953 35 QB LEU 9 QB LEU 9 4.881 -6.115 -7.123 36 QD LEU 9 QD LEU 9 5.710 -7.528 -4.968 37 H THR 10 H THR 10 3.080 -3.308 -7.430 38 HA THR 10 HA THR 10 4.346 -2.659 -9.781 39 HB THR 10 HB THR 10 2.039 -1.408 -8.217 40 HG1 THR 10 HG1 THR 10 0.944 -2.688 -9.899 41 1HG2 THR 10 1HG2 THR 10 3.238 -0.680 -10.900 42 2HG2 THR 10 2HG2 THR 10 1.465 -0.718 -10.746 43 3HG2 THR 10 3HG2 THR 10 2.425 0.369 -9.714 44 MG THR 10 MG THR 10 2.376 -0.343 -10.453 45 H GLN 11 H GLN 11 3.657 -0.215 -7.190 46 HA GLN 11 HA GLN 11 5.389 1.631 -8.269 47 1HB GLN 11 1HB GLN 11 3.726 1.360 -5.915 48 2HB GLN 11 2HB GLN 11 5.269 2.039 -5.436 49 1HG GLN 11 1HG GLN 11 4.959 3.987 -6.656 50 2HG GLN 11 2HG GLN 11 4.071 3.179 -7.933 51 2HE2 GLN 11 1HE2 GLN 11 3.864 4.101 -4.511 52 1HE2 GLN 11 2HE2 GLN 11 2.166 4.445 -4.473 53 QB GLN 11 QB GLN 11 4.498 1.699 -5.676 54 QG GLN 11 QG GLN 11 4.515 3.583 -7.294 55 QE GLN 11 QE GLN 11 3.015 4.273 -4.492 56 H LEU 12 H LEU 12 5.947 -1.154 -6.147 57 HA LEU 12 HA LEU 12 8.275 -0.526 -4.909 58 1HB LEU 12 1HB LEU 12 6.804 -2.676 -4.966 59 2HB LEU 12 2HB LEU 12 7.913 -3.199 -6.217 60 HG LEU 12 HG LEU 12 8.593 -4.108 -4.091 61 1HD1 LEU 12 1HD1 LEU 12 10.315 -3.328 -5.772 62 2HD1 LEU 12 2HD1 LEU 12 10.552 -1.899 -4.739 63 3HD1 LEU 12 3HD1 LEU 12 10.888 -3.526 -4.099 64 1HD2 LEU 12 1HD2 LEU 12 7.720 -1.647 -3.042 65 2HD2 LEU 12 2HD2 LEU 12 8.382 -3.042 -2.158 66 3HD2 LEU 12 3HD2 LEU 12 9.464 -1.739 -2.702 67 MD1 LEU 12 MD1 LEU 12 10.585 -2.918 -4.870 68 MD2 LEU 12 MD2 LEU 12 8.522 -2.143 -2.634 69 QB LEU 12 QB LEU 12 7.358 -2.938 -5.592 70 QD LEU 12 QD LEU 12 9.553 -2.530 -3.752 71 H SER 13 H SER 13 7.862 -1.709 -8.307 72 HA SER 13 HA SER 13 10.306 -0.335 -8.942 73 1HB SER 13 2HB SER 13 11.612 -2.150 -9.283 74 2HB SER 13 1HB SER 13 10.378 -2.933 -10.249 75 HG SER 13 HG SER 13 9.495 -3.105 -7.735 76 QB SER 13 QB SER 13 10.995 -2.541 -9.766 77 H SER 14 H SER 14 7.726 0.451 -9.588 78 HA SER 14 HA SER 14 6.372 0.934 -11.216 79 1HB SER 14 1HB SER 14 8.993 1.134 -12.274 80 2HB SER 14 2HB SER 14 8.059 0.348 -13.531 81 HG SER 14 HG SER 14 7.139 2.222 -13.972 82 QB SER 14 QB SER 14 8.526 0.741 -12.902 83 H GLY 15 H GLY 15 6.944 -2.049 -10.429 84 1HA GLY 15 1HA GLY 15 5.669 -3.897 -10.894 85 2HA GLY 15 2HA GLY 15 5.129 -3.174 -12.396 86 QA GLY 15 QA GLY 15 5.399 -3.536 -11.645 87 H ASN 16 H ASN 16 8.317 -4.145 -10.920 88 HA ASN 16 HA ASN 16 8.979 -5.253 -13.527 89 1HB ASN 16 1HB ASN 16 10.471 -3.457 -12.347 90 2HB ASN 16 2HB ASN 16 10.920 -4.729 -11.228 91 2HD2 ASN 16 1HD2 ASN 16 12.418 -3.195 -13.294 92 1HD2 ASN 16 2HD2 ASN 16 13.199 -4.368 -14.301 93 QB ASN 16 QB ASN 16 10.696 -4.093 -11.787 94 QD ASN 16 QD ASN 16 12.808 -3.781 -13.798 95 HA PRO 17 HA PRO 17 8.567 -9.065 -11.289 96 1HB PRO 17 1HB PRO 17 8.732 -10.751 -13.434 97 2HB PRO 17 2HB PRO 17 7.233 -10.008 -12.911 98 1HG PRO 17 2HG PRO 17 7.253 -8.904 -14.936 99 2HG PRO 17 1HG PRO 17 8.927 -9.326 -15.236 100 1HD PRO 17 1HD PRO 17 9.532 -7.186 -14.658 101 2HD PRO 17 2HD PRO 17 7.872 -6.800 -14.248 102 QB PRO 17 QB PRO 17 7.982 -10.379 -13.172 103 QG PRO 17 QG PRO 17 8.090 -9.115 -15.086 104 QD PRO 17 QD PRO 17 8.702 -6.993 -14.453 105 H VAL 18 H VAL 18 11.204 -7.684 -12.569 106 HA VAL 18 HA VAL 18 13.027 -9.717 -12.843 107 HB VAL 18 HB VAL 18 13.457 -7.415 -13.429 108 1HG1 VAL 18 1HG1 VAL 18 12.217 -6.564 -11.296 109 2HG1 VAL 18 2HG1 VAL 18 13.824 -6.662 -10.536 110 3HG1 VAL 18 3HG1 VAL 18 13.573 -5.618 -11.956 111 1HG2 VAL 18 1HG2 VAL 18 15.269 -9.145 -12.259 112 2HG2 VAL 18 2HG2 VAL 18 15.671 -7.665 -13.163 113 3HG2 VAL 18 3HG2 VAL 18 15.553 -7.620 -11.387 114 MG1 VAL 18 MG1 VAL 18 13.205 -6.281 -11.263 115 MG2 VAL 18 MG2 VAL 18 15.498 -8.143 -12.270 116 QG VAL 18 QG VAL 18 14.351 -7.212 -11.766 117 H TYR 19 H TYR 19 12.052 -7.933 -9.838 118 HA TYR 19 HA TYR 19 13.761 -9.321 -8.125 119 1HB TYR 19 1HB TYR 19 11.126 -7.786 -8.019 120 2HB TYR 19 2HB TYR 19 11.647 -8.605 -6.560 121 HD1 TYR 19 HD1 TYR 19 14.293 -7.355 -8.713 122 HD2 TYR 19 HD2 TYR 19 11.672 -6.333 -5.489 123 HE1 TYR 19 HE1 TYR 19 15.774 -5.374 -8.127 124 HE2 TYR 19 HE2 TYR 19 13.163 -4.356 -4.914 125 HH TYR 19 HH TYR 19 16.104 -4.043 -5.655 126 QB TYR 19 QB TYR 19 11.386 -8.196 -7.289 127 QD TYR 19 QD TYR 19 12.982 -6.844 -7.101 128 QE TYR 19 QE TYR 19 14.469 -4.865 -6.520 129 QR TYR 19 QR TYR 19 13.726 -5.855 -6.811 130 H GLU 20 H GLU 20 10.512 -10.090 -9.422 131 HA GLU 20 HA GLU 20 9.772 -12.000 -7.629 132 1HB GLU 20 1HB GLU 20 8.959 -11.104 -10.228 133 2HB GLU 20 2HB GLU 20 9.029 -12.854 -10.292 134 1HG GLU 20 1HG GLU 20 7.794 -11.832 -7.799 135 2HG GLU 20 2HG GLU 20 6.924 -11.352 -9.242 136 HE2 GLU 20 HE2 GLU 20 8.643 -14.237 -8.360 137 QB GLU 20 QB GLU 20 8.994 -11.979 -10.260 138 QG GLU 20 QG GLU 20 7.359 -11.592 -8.521 139 H LYS 21 H LYS 21 12.090 -12.184 -10.349 140 HA LYS 21 HA LYS 21 12.319 -14.963 -10.446 141 1HB LYS 21 1HB LYS 21 13.639 -14.441 -12.155 142 2HB LYS 21 2HB LYS 21 13.408 -12.748 -11.769 143 1HG LYS 21 1HG LYS 21 15.351 -12.849 -10.188 144 2HG LYS 21 2HG LYS 21 15.586 -14.538 -10.588 145 1HD LYS 21 1HD LYS 21 15.449 -13.083 -13.070 146 2HD LYS 21 2HD LYS 21 16.534 -12.204 -12.011 147 1HE LYS 21 1HE LYS 21 16.788 -15.218 -12.308 148 2HE LYS 21 2HE LYS 21 17.505 -14.147 -13.496 149 QB LYS 21 QB LYS 21 13.524 -13.595 -11.962 150 QD LYS 21 QD LYS 21 15.991 -12.644 -12.540 151 QG LYS 21 QG LYS 21 15.469 -13.693 -10.388 152 QE LYS 21 QE LYS 21 17.147 -14.683 -12.902 153 QZ LYS 21 QZ LYS 21 18.356 -13.686 -11.033 154 H TYR 22 H TYR 22 13.908 -12.462 -8.408 155 HA TYR 22 HA TYR 22 15.682 -14.338 -7.198 156 1HB TYR 22 1HB TYR 22 14.615 -11.526 -6.528 157 2HB TYR 22 2HB TYR 22 15.914 -12.279 -5.625 158 HD1 TYR 22 HD1 TYR 22 14.971 -10.738 -8.834 159 HD2 TYR 22 HD2 TYR 22 18.153 -12.487 -6.570 160 HE1 TYR 22 HE1 TYR 22 16.666 -9.814 -10.488 161 HE2 TYR 22 HE2 TYR 22 19.837 -11.557 -8.233 162 HH TYR 22 HH TYR 22 20.109 -10.061 -9.869 163 QB TYR 22 QB TYR 22 15.265 -11.903 -6.077 164 QD TYR 22 QD TYR 22 16.562 -11.612 -7.702 165 QE TYR 22 QE TYR 22 18.251 -10.685 -9.360 166 QR TYR 22 QR TYR 22 17.407 -11.149 -8.531 167 H TYR 23 H TYR 23 12.570 -12.742 -6.263 168 HA TYR 23 HA TYR 23 12.415 -13.665 -3.676 169 1HB TYR 23 1HB TYR 23 10.773 -12.095 -4.454 170 2HB TYR 23 2HB TYR 23 10.547 -12.948 -5.967 171 HD1 TYR 23 HD1 TYR 23 9.730 -13.016 -2.343 172 HD2 TYR 23 HD2 TYR 23 8.837 -14.596 -6.218 173 HE1 TYR 23 HE1 TYR 23 7.629 -14.110 -1.421 174 HE2 TYR 23 HE2 TYR 23 6.739 -15.685 -5.282 175 HH TYR 23 HH TYR 23 5.364 -15.759 -3.567 176 QB TYR 23 QB TYR 23 10.660 -12.522 -5.210 177 QD TYR 23 QD TYR 23 9.283 -13.806 -4.281 178 QE TYR 23 QE TYR 23 7.184 -14.898 -3.351 179 QR TYR 23 QR TYR 23 8.234 -14.352 -3.816 180 H ARG 24 H ARG 24 11.944 -15.392 -6.743 181 HA ARG 24 HA ARG 24 10.706 -17.583 -5.364 182 1HB ARG 24 1HB ARG 24 9.996 -16.855 -7.689 183 2HB ARG 24 2HB ARG 24 11.567 -17.344 -8.292 184 1HG ARG 24 1HG ARG 24 10.022 -19.373 -6.694 185 2HG ARG 24 2HG ARG 24 9.429 -19.006 -8.301 186 1HD ARG 24 1HD ARG 24 12.297 -19.307 -8.472 187 2HD ARG 24 2HD ARG 24 11.671 -20.668 -7.563 188 HE ARG 24 HE ARG 24 11.153 -20.063 -10.392 189 1HH1 ARG 24 1HH1 ARG 24 10.066 -21.887 -7.555 190 2HH1 ARG 24 2HH1 ARG 24 9.202 -23.063 -8.488 191 2HH2 ARG 24 HH2 ARG 24 9.185 -22.884 -10.878 192 QB ARG 24 QB ARG 24 10.782 -17.100 -7.990 193 QG ARG 24 QG ARG 24 9.725 -19.189 -7.497 194 QD ARG 24 QD ARG 24 11.984 -19.988 -8.018 195 QH1 ARG 24 QH1 ARG 24 9.634 -22.475 -8.022 196 H GLN 25 H GLN 25 13.863 -16.475 -6.380 197 HA GLN 25 HA GLN 25 15.093 -18.925 -6.796 198 1HB GLN 25 1HB GLN 25 15.922 -16.115 -6.327 199 2HB GLN 25 2HB GLN 25 17.107 -17.297 -5.808 200 1HG GLN 25 1HG GLN 25 16.117 -18.187 -8.350 201 2HG GLN 25 2HG GLN 25 16.435 -16.471 -8.507 202 2HE2 GLN 25 1HE2 GLN 25 18.498 -16.175 -6.661 203 1HE2 GLN 25 2HE2 GLN 25 19.921 -16.980 -7.232 204 QB GLN 25 QB GLN 25 16.515 -16.706 -6.067 205 QG GLN 25 QG GLN 25 16.276 -17.329 -8.428 206 QE GLN 25 QE GLN 25 19.209 -16.577 -6.946 207 H VAL 26 H VAL 26 14.347 -17.051 -3.843 208 HA VAL 26 HA VAL 26 15.961 -18.719 -2.167 209 HB VAL 26 HB VAL 26 15.400 -17.276 -0.491 210 1HG1 VAL 26 1HG1 VAL 26 16.288 -16.082 -2.593 211 2HG1 VAL 26 2HG1 VAL 26 14.633 -15.452 -2.775 212 3HG1 VAL 26 3HG1 VAL 26 15.571 -15.079 -1.309 213 1HG2 VAL 26 1HG2 VAL 26 12.736 -16.762 -1.857 214 2HG2 VAL 26 2HG2 VAL 26 13.015 -17.768 -0.416 215 3HG2 VAL 26 3HG2 VAL 26 13.278 -16.010 -0.338 216 MG1 VAL 26 MG1 VAL 26 15.497 -15.538 -2.225 217 MG2 VAL 26 MG2 VAL 26 13.010 -16.847 -0.870 218 QG VAL 26 QG VAL 26 14.254 -16.192 -1.548 219 H GLU 27 H GLU 27 12.575 -18.565 -3.291 220 HA GLU 27 HA GLU 27 11.317 -20.067 -1.466 221 1HB GLU 27 1HB GLU 27 10.230 -19.074 -3.448 222 2HB GLU 27 2HB GLU 27 11.033 -20.222 -4.499 223 1HG GLU 27 1HG GLU 27 9.709 -21.716 -2.413 224 2HG GLU 27 2HG GLU 27 8.562 -20.554 -3.047 225 HE2 GLU 27 HE2 GLU 27 8.938 -23.768 -4.952 226 QB GLU 27 QB GLU 27 10.631 -19.648 -3.973 227 QG GLU 27 QG GLU 27 9.136 -21.135 -2.730 228 H ALA 28 H ALA 28 10.980 -22.310 -1.037 229 HA ALA 28 HA ALA 28 12.946 -24.069 -2.338 230 1HB ALA 28 3HB ALA 28 13.674 -24.768 -0.311 231 2HB ALA 28 1HB ALA 28 12.923 -23.279 0.310 232 3HB ALA 28 2HB ALA 28 12.028 -24.817 0.365 233 MB ALA 28 MB ALA 28 12.875 -24.288 0.121 234 H GLY 29 H GLY 29 12.261 -26.271 -2.709 235 1HA GLY 29 1HA GLY 29 10.771 -27.944 -3.041 236 2HA GLY 29 2HA GLY 29 9.585 -27.083 -2.080 237 QA GLY 29 QA GLY 29 10.178 -27.514 -2.560 238 H ASN 30 H ASN 30 8.227 -28.071 -3.973 239 HA ASN 30 HA ASN 30 8.273 -26.150 -6.167 240 1HB ASN 30 1HB ASN 30 7.714 -29.114 -6.041 241 2HB ASN 30 2HB ASN 30 6.777 -28.181 -7.191 242 2HD2 ASN 30 1HD2 ASN 30 7.597 -27.878 -9.113 243 1HD2 ASN 30 2HD2 ASN 30 9.264 -27.985 -9.572 244 QB ASN 30 QB ASN 30 7.245 -28.647 -6.616 245 QD ASN 30 QD ASN 30 8.431 -27.932 -9.343 246 H THR 31 H THR 31 7.005 -25.326 -3.850 247 HA THR 31 HA THR 31 4.163 -25.977 -4.254 248 HB THR 31 HB THR 31 3.940 -25.229 -1.879 249 HG1 THR 31 HG1 THR 31 5.945 -24.560 -0.854 250 1HG2 THR 31 1HG2 THR 31 4.680 -27.634 -2.319 251 2HG2 THR 31 2HG2 THR 31 6.364 -27.079 -2.156 252 3HG2 THR 31 3HG2 THR 31 5.254 -26.975 -0.768 253 MG THR 31 MG THR 31 5.433 -27.230 -1.748 254 H GLY 32 H GLY 32 6.622 -23.442 -4.324 255 1HA GLY 32 1HA GLY 32 6.394 -21.481 -5.520 256 2HA GLY 32 2HA GLY 32 4.651 -21.658 -5.522 257 QA GLY 32 QA GLY 32 5.523 -21.569 -5.521 258 H ARG 33 H ARG 33 6.551 -22.095 -2.539 259 HA ARG 33 HA ARG 33 5.667 -19.457 -1.702 260 1HB ARG 33 1HB ARG 33 5.259 -22.127 -0.317 261 2HB ARG 33 2HB ARG 33 5.397 -20.673 0.651 262 1HG ARG 33 1HG ARG 33 3.603 -19.871 -1.316 263 2HG ARG 33 2HG ARG 33 3.181 -21.560 -1.120 264 1HD ARG 33 1HD ARG 33 3.591 -20.409 1.511 265 2HD ARG 33 2HD ARG 33 2.515 -19.361 0.609 266 HE ARG 33 HE ARG 33 0.868 -21.021 0.689 267 1HH1 ARG 33 1HH1 ARG 33 4.004 -22.497 1.426 268 2HH1 ARG 33 2HH1 ARG 33 3.322 -24.031 1.850 269 2HH2 ARG 33 HH2 ARG 33 0.947 -24.331 1.738 270 QB ARG 33 QB ARG 33 5.328 -21.400 0.167 271 QG ARG 33 QG ARG 33 3.392 -20.715 -1.218 272 QD ARG 33 QD ARG 33 3.053 -19.885 1.060 273 QH1 ARG 33 QH1 ARG 33 3.663 -23.264 1.638 274 H VAL 34 H VAL 34 7.148 -18.343 -0.325 275 HA VAL 34 HA VAL 34 9.808 -19.451 -0.325 276 HB VAL 34 HB VAL 34 8.624 -16.806 0.527 277 1HG1 VAL 34 1HG1 VAL 34 11.387 -17.914 0.854 278 2HG1 VAL 34 2HG1 VAL 34 11.206 -16.200 0.412 279 3HG1 VAL 34 3HG1 VAL 34 10.461 -16.817 1.906 280 1HG2 VAL 34 1HG2 VAL 34 9.528 -17.897 -1.993 281 2HG2 VAL 34 2HG2 VAL 34 8.760 -16.329 -1.648 282 3HG2 VAL 34 3HG2 VAL 34 10.528 -16.498 -1.532 283 MG1 VAL 34 MG1 VAL 34 11.018 -16.977 1.057 284 MG2 VAL 34 MG2 VAL 34 9.605 -16.908 -1.724 285 QG VAL 34 QG VAL 34 10.312 -16.942 -0.334 286 H LEU 35 H LEU 35 10.530 -20.763 1.263 287 HA LEU 35 HA LEU 35 9.067 -21.230 3.594 288 1HB LEU 35 1HB LEU 35 11.452 -22.190 2.302 289 2HB LEU 35 2HB LEU 35 11.750 -21.987 4.017 290 HG LEU 35 HG LEU 35 9.414 -23.554 2.894 291 1HD1 LEU 35 1HD1 LEU 35 12.245 -24.327 3.360 292 2HD1 LEU 35 2HD1 LEU 35 10.994 -25.472 3.901 293 3HD1 LEU 35 3HD1 LEU 35 11.051 -24.956 2.199 294 1HD2 LEU 35 1HD2 LEU 35 9.607 -22.519 5.366 295 2HD2 LEU 35 2HD2 LEU 35 8.811 -24.072 5.011 296 3HD2 LEU 35 3HD2 LEU 35 10.484 -24.047 5.618 297 MD1 LEU 35 MD1 LEU 35 11.430 -24.918 3.153 298 MD2 LEU 35 MD2 LEU 35 9.634 -23.546 5.332 299 QB LEU 35 QB LEU 35 11.601 -22.089 3.159 300 QD LEU 35 QD LEU 35 10.532 -24.232 4.242 301 H ALA 36 H ALA 36 10.994 -18.559 2.680 302 HA ALA 36 HA ALA 36 11.347 -16.675 3.848 303 1HB ALA 36 3HB ALA 36 10.462 -16.352 5.948 304 2HB ALA 36 1HB ALA 36 9.553 -17.811 5.488 305 3HB ALA 36 2HB ALA 36 10.986 -17.949 6.535 306 MB ALA 36 MB ALA 36 10.334 -17.370 5.990 307 H LEU 37 H LEU 37 12.459 -19.589 5.723 308 HA LEU 37 HA LEU 37 14.770 -18.608 6.719 309 1HB LEU 37 1HB LEU 37 13.766 -21.263 5.918 310 2HB LEU 37 2HB LEU 37 15.509 -21.140 6.060 311 HG LEU 37 HG LEU 37 14.893 -20.003 8.389 312 1HD1 LEU 37 1HD1 LEU 37 12.482 -21.726 7.768 313 2HD1 LEU 37 2HD1 LEU 37 12.944 -21.203 9.405 314 3HD1 LEU 37 3HD1 LEU 37 12.513 -19.993 8.172 315 1HD2 LEU 37 1HD2 LEU 37 15.798 -22.523 7.527 316 2HD2 LEU 37 2HD2 LEU 37 15.973 -21.790 9.139 317 3HD2 LEU 37 3HD2 LEU 37 14.581 -22.842 8.786 318 MD1 LEU 37 MD1 LEU 37 12.647 -20.974 8.448 319 MD2 LEU 37 MD2 LEU 37 15.451 -22.385 8.484 320 QB LEU 37 QB LEU 37 14.638 -21.201 5.989 321 QD LEU 37 QD LEU 37 14.049 -21.679 8.466 322 H ASP 38 H ASP 38 14.186 -19.845 3.380 323 HA ASP 38 HA ASP 38 16.828 -19.645 2.576 324 1HB ASP 38 1HB ASP 38 14.215 -20.138 1.387 325 2HB ASP 38 2HB ASP 38 15.131 -19.070 0.343 326 HD2 ASP 38 HD2 ASP 38 15.489 -22.799 0.963 327 QB ASP 38 QB ASP 38 14.673 -19.604 0.865 328 H ALA 39 H ALA 39 14.025 -17.369 2.570 329 HA ALA 39 HA ALA 39 15.114 -15.357 1.006 330 1HB ALA 39 2HB ALA 39 13.538 -14.112 2.963 331 2HB ALA 39 1HB ALA 39 12.882 -15.763 2.847 332 3HB ALA 39 3HB ALA 39 12.983 -14.741 1.393 333 MB ALA 39 MB ALA 39 13.134 -14.872 2.401 334 H ALA 40 H ALA 40 15.416 -16.060 4.533 335 HA ALA 40 HA ALA 40 16.838 -13.718 5.147 336 1HB ALA 40 2HB ALA 40 17.623 -15.458 7.062 337 2HB ALA 40 3HB ALA 40 16.013 -14.699 7.046 338 3HB ALA 40 1HB ALA 40 16.225 -16.350 6.416 339 MB ALA 40 MB ALA 40 16.620 -15.502 6.841 340 H ALA 41 H ALA 41 17.686 -16.675 3.479 341 HA ALA 41 HA ALA 41 20.503 -16.410 4.025 342 1HB ALA 41 1HB ALA 41 19.276 -18.601 3.720 343 2HB ALA 41 3HB ALA 41 20.703 -18.400 2.675 344 3HB ALA 41 2HB ALA 41 19.069 -18.175 2.004 345 MB ALA 41 MB ALA 41 19.683 -18.392 2.800 346 H PHE 42 H PHE 42 18.242 -15.980 1.222 347 HA PHE 42 HA PHE 42 20.206 -15.132 -0.565 348 1HB PHE 42 1HB PHE 42 17.960 -15.854 -1.265 349 2HB PHE 42 2HB PHE 42 17.192 -14.684 -0.210 350 HD1 PHE 42 HD1 PHE 42 19.439 -14.865 -3.179 351 HD2 PHE 42 HD2 PHE 42 16.484 -12.654 -1.084 352 HE1 PHE 42 HE1 PHE 42 19.310 -13.234 -5.082 353 HE2 PHE 42 HE2 PHE 42 16.356 -11.022 -2.987 354 HZ PHE 42 HZ PHE 42 17.771 -11.332 -4.963 355 QB PHE 42 QB PHE 42 17.576 -15.269 -0.738 356 QD PHE 42 QD PHE 42 17.961 -13.760 -2.132 357 QE PHE 42 QE PHE 42 17.833 -12.128 -4.035 358 QR PHE 42 QR PHE 42 17.897 -12.944 -3.083 359 H LEU 43 H LEU 43 18.272 -13.403 1.905 360 HA LEU 43 HA LEU 43 18.907 -10.817 0.963 361 1HB LEU 43 1HB LEU 43 17.895 -11.885 3.594 362 2HB LEU 43 2HB LEU 43 18.165 -10.178 3.304 363 HG LEU 43 HG LEU 43 16.375 -11.800 1.497 364 1HD1 LEU 43 1HD1 LEU 43 15.602 -12.135 3.814 365 2HD1 LEU 43 2HD1 LEU 43 15.507 -10.370 4.024 366 3HD1 LEU 43 3HD1 LEU 43 14.454 -11.183 2.842 367 1HD2 LEU 43 1HD2 LEU 43 16.669 -8.854 2.112 368 2HD2 LEU 43 2HD2 LEU 43 16.947 -9.694 0.568 369 3HD2 LEU 43 3HD2 LEU 43 15.295 -9.537 1.210 370 MD1 LEU 43 MD1 LEU 43 15.188 -11.229 3.560 371 MD2 LEU 43 MD2 LEU 43 16.304 -9.362 1.297 372 QB LEU 43 QB LEU 43 18.030 -11.031 3.449 373 QD LEU 43 QD LEU 43 15.746 -10.296 2.428 374 H LYS 44 H LYS 44 20.295 -12.975 3.515 375 HA LYS 44 HA LYS 44 22.159 -11.257 4.534 376 1HB LYS 44 1HB LYS 44 23.148 -13.125 5.490 377 2HB LYS 44 2HB LYS 44 21.502 -13.659 5.215 378 1HG LYS 44 1HG LYS 44 22.237 -15.344 3.892 379 2HG LYS 44 2HG LYS 44 22.999 -14.196 2.810 380 1HD LYS 44 1HD LYS 44 25.089 -14.334 3.904 381 2HD LYS 44 2HD LYS 44 24.383 -14.878 5.412 382 1HE LYS 44 1HE LYS 44 24.402 -17.086 4.778 383 2HE LYS 44 2HE LYS 44 23.876 -16.727 3.146 384 QB LYS 44 QB LYS 44 22.325 -13.392 5.352 385 QD LYS 44 QD LYS 44 24.736 -14.606 4.658 386 QG LYS 44 QG LYS 44 22.618 -14.770 3.351 387 QE LYS 44 QE LYS 44 24.139 -16.906 3.962 388 QZ LYS 44 QZ LYS 44 26.166 -16.894 2.958 389 H LYS 45 H LYS 45 21.973 -12.671 1.336 390 HA LYS 45 HA LYS 45 24.695 -12.591 0.685 391 1HB LYS 45 2HB LYS 45 23.948 -12.800 -1.600 392 2HB LYS 45 1HB LYS 45 22.339 -12.242 -1.189 393 1HG LYS 45 1HG LYS 45 23.537 -14.699 0.148 394 2HG LYS 45 2HG LYS 45 21.850 -14.227 0.078 395 1HD LYS 45 1HD LYS 45 21.579 -14.965 -2.119 396 2HD LYS 45 2HD LYS 45 23.249 -14.654 -2.550 397 1HE LYS 45 1HE LYS 45 22.645 -16.812 -0.514 398 2HE LYS 45 2HE LYS 45 22.378 -17.153 -2.212 399 QB LYS 45 QB LYS 45 23.144 -12.521 -1.394 400 QD LYS 45 QD LYS 45 22.414 -14.810 -2.334 401 QG LYS 45 QG LYS 45 22.693 -14.463 0.113 402 QE LYS 45 QE LYS 45 22.512 -16.982 -1.363 403 QZ LYS 45 QZ LYS 45 24.717 -17.255 -1.573 404 H SER 46 H SER 46 22.453 -10.089 1.425 405 HA SER 46 HA SER 46 23.215 -8.118 -0.316 406 1HB SER 46 2HB SER 46 21.315 -8.016 1.326 407 2HB SER 46 1HB SER 46 22.290 -6.560 1.298 408 HG SER 46 HG SER 46 22.384 -8.692 3.253 409 QB SER 46 QB SER 46 21.802 -7.288 1.312 410 H GLY 47 H GLY 47 24.348 -8.464 3.133 411 1HA GLY 47 1HA GLY 47 26.974 -8.595 2.987 412 2HA GLY 47 2HA GLY 47 26.750 -6.938 2.464 413 QA GLY 47 QA GLY 47 26.862 -7.767 2.725 414 H LEU 48 H LEU 48 24.149 -6.928 4.242 415 HA LEU 48 HA LEU 48 25.407 -5.749 6.483 416 1HB LEU 48 1HB LEU 48 22.581 -6.360 5.683 417 2HB LEU 48 2HB LEU 48 22.940 -5.806 7.307 418 HG LEU 48 HG LEU 48 23.832 -4.277 4.857 419 1HD1 LEU 48 1HD1 LEU 48 21.343 -4.650 4.865 420 2HD1 LEU 48 2HD1 LEU 48 21.283 -3.754 6.402 421 3HD1 LEU 48 3HD1 LEU 48 21.860 -2.948 4.924 422 1HD2 LEU 48 1HD2 LEU 48 24.750 -3.941 7.296 423 2HD2 LEU 48 2HD2 LEU 48 24.359 -2.542 6.266 424 3HD2 LEU 48 3HD2 LEU 48 23.216 -3.066 7.527 425 MD1 LEU 48 MD1 LEU 48 21.496 -3.784 5.397 426 MD2 LEU 48 MD2 LEU 48 24.108 -3.183 7.030 427 QB LEU 48 QB LEU 48 22.761 -6.083 6.495 428 QD LEU 48 QD LEU 48 22.802 -3.484 6.213 429 HA PRO 49 HA PRO 49 25.658 -9.110 9.176 430 1HB PRO 49 1HB PRO 49 25.194 -7.994 11.628 431 2HB PRO 49 2HB PRO 49 26.729 -7.865 10.791 432 1HG PRO 49 2HG PRO 49 26.311 -5.599 10.695 433 2HG PRO 49 1HG PRO 49 24.629 -5.813 11.139 434 1HD PRO 49 1HD PRO 49 24.045 -5.483 8.941 435 2HD PRO 49 2HD PRO 49 25.733 -5.384 8.481 436 QB PRO 49 QB PRO 49 25.961 -7.930 11.210 437 QG PRO 49 QG PRO 49 25.470 -5.706 10.917 438 QD PRO 49 QD PRO 49 24.889 -5.434 8.711 439 H ASP 50 H ASP 50 24.611 -10.456 10.971 440 HA ASP 50 HA ASP 50 21.993 -10.908 10.029 441 1HB ASP 50 1HB ASP 50 23.907 -12.147 11.936 442 2HB ASP 50 2HB ASP 50 22.228 -12.356 12.395 443 HD2 ASP 50 HD2 ASP 50 21.994 -15.007 11.001 444 QB ASP 50 QB ASP 50 23.068 -12.251 12.166 445 H LEU 51 H LEU 51 23.550 -9.193 12.728 446 HA LEU 51 HA LEU 51 21.406 -9.103 14.505 447 1HB LEU 51 1HB LEU 51 23.176 -8.366 15.616 448 2HB LEU 51 2HB LEU 51 24.005 -7.859 14.159 449 HG LEU 51 HG LEU 51 22.662 -5.755 14.166 450 1HD1 LEU 51 1HD1 LEU 51 21.685 -6.791 16.840 451 2HD1 LEU 51 2HD1 LEU 51 21.477 -5.126 16.248 452 3HD1 LEU 51 3HD1 LEU 51 20.709 -6.479 15.385 453 1HD2 LEU 51 1HD2 LEU 51 24.330 -6.320 16.631 454 2HD2 LEU 51 2HD2 LEU 51 24.912 -5.749 15.049 455 3HD2 LEU 51 3HD2 LEU 51 23.875 -4.702 16.047 456 MD1 LEU 51 MD1 LEU 51 21.290 -6.132 16.158 457 MD2 LEU 51 MD2 LEU 51 24.373 -5.590 15.909 458 QB LEU 51 QB LEU 51 23.591 -8.112 14.888 459 QD LEU 51 QD LEU 51 22.831 -5.861 16.033 460 H ILE 52 H ILE 52 22.520 -6.538 12.175 461 HA ILE 52 HA ILE 52 20.297 -4.924 12.509 462 HB ILE 52 HB ILE 52 22.126 -5.263 10.130 463 1HG1 ILE 52 1HG1 ILE 52 23.080 -4.676 12.462 464 2HG1 ILE 52 2HG1 ILE 52 23.555 -3.708 11.081 465 1HG2 ILE 52 1HG2 ILE 52 19.991 -4.137 9.560 466 2HG2 ILE 52 2HG2 ILE 52 20.330 -2.921 10.814 467 3HG2 ILE 52 3HG2 ILE 52 21.412 -3.076 9.410 468 1HD1 ILE 52 1HD1 ILE 52 21.157 -2.906 12.759 469 2HD1 ILE 52 2HD1 ILE 52 22.809 -2.473 13.258 470 3HD1 ILE 52 3HD1 ILE 52 22.166 -1.889 11.704 471 MG ILE 52 MG ILE 52 20.578 -3.378 9.928 472 MD ILE 52 MD ILE 52 22.044 -2.423 12.574 473 QG ILE 52 QG ILE 52 23.317 -4.192 11.772 474 H LEU 53 H LEU 53 20.840 -7.810 10.471 475 HA LEU 53 HA LEU 53 18.559 -7.481 8.870 476 1HB LEU 53 1HB LEU 53 20.556 -9.564 9.443 477 2HB LEU 53 2HB LEU 53 18.989 -10.177 8.955 478 HG LEU 53 HG LEU 53 20.691 -8.215 7.392 479 1HD1 LEU 53 1HD1 LEU 53 20.237 -11.184 7.157 480 2HD1 LEU 53 2HD1 LEU 53 20.716 -10.200 5.753 481 3HD1 LEU 53 3HD1 LEU 53 21.767 -10.274 7.188 482 1HD2 LEU 53 1HD2 LEU 53 17.917 -8.549 7.296 483 2HD2 LEU 53 2HD2 LEU 53 18.953 -7.750 6.090 484 3HD2 LEU 53 3HD2 LEU 53 18.543 -9.473 5.910 485 MD1 LEU 53 MD1 LEU 53 20.907 -10.553 6.699 486 MD2 LEU 53 MD2 LEU 53 18.471 -8.591 6.432 487 QB LEU 53 QB LEU 53 19.773 -9.871 9.199 488 QD LEU 53 QD LEU 53 19.689 -9.572 6.566 489 H GLY 54 H GLY 54 19.155 -9.258 11.965 490 1HA GLY 54 1HA GLY 54 16.830 -10.560 12.360 491 2HA GLY 54 2HA GLY 54 17.704 -9.733 13.634 492 QA GLY 54 QA GLY 54 17.267 -10.146 12.997 493 H LYS 55 H LYS 55 17.393 -7.008 12.812 494 HA LYS 55 HA LYS 55 14.830 -6.498 13.846 495 1HB LYS 55 1HB LYS 55 17.081 -4.858 12.737 496 2HB LYS 55 2HB LYS 55 15.515 -4.101 12.949 497 1HG LYS 55 1HG LYS 55 16.094 -5.674 15.312 498 2HG LYS 55 2HG LYS 55 17.490 -4.676 14.957 499 1HD LYS 55 1HD LYS 55 16.365 -2.698 15.370 500 2HD LYS 55 2HD LYS 55 14.851 -3.293 14.717 501 1HE LYS 55 1HE LYS 55 14.368 -4.548 16.746 502 2HE LYS 55 2HE LYS 55 15.984 -4.285 17.371 503 QB LYS 55 QB LYS 55 16.298 -4.479 12.843 504 QD LYS 55 QD LYS 55 15.608 -2.996 15.044 505 QG LYS 55 QG LYS 55 16.792 -5.175 15.135 506 QE LYS 55 QE LYS 55 15.176 -4.417 17.059 507 QZ LYS 55 QZ LYS 55 14.536 -2.070 17.164 508 H ILE 56 H ILE 56 16.214 -6.531 10.525 509 HA ILE 56 HA ILE 56 14.035 -5.415 9.224 510 HB ILE 56 HB ILE 56 16.124 -7.402 8.343 511 1HG1 ILE 56 1HG1 ILE 56 15.846 -4.398 8.087 512 2HG1 ILE 56 2HG1 ILE 56 17.073 -5.288 8.967 513 1HG2 ILE 56 1HG2 ILE 56 13.974 -6.020 6.729 514 2HG2 ILE 56 2HG2 ILE 56 15.462 -6.682 6.013 515 3HG2 ILE 56 3HG2 ILE 56 14.321 -7.762 6.849 516 1HD1 ILE 56 1HD1 ILE 56 17.490 -6.410 6.557 517 2HD1 ILE 56 2HD1 ILE 56 16.778 -4.875 6.004 518 3HD1 ILE 56 3HD1 ILE 56 18.246 -4.864 7.010 519 MG ILE 56 MG ILE 56 14.586 -6.821 6.530 520 MD ILE 56 MD ILE 56 17.504 -5.383 6.524 521 QG ILE 56 QG ILE 56 16.459 -4.843 8.527 522 H TRP 57 H TRP 57 14.810 -8.903 9.873 523 HA TRP 57 HA TRP 57 12.535 -9.958 8.718 524 1HB TRP 57 1HB TRP 57 14.626 -11.124 9.590 525 2HB TRP 57 2HB TRP 57 13.883 -11.067 11.176 526 HD1 TRP 57 HD1 TRP 57 11.809 -12.756 11.609 527 HE1 TRP 57 HE1 TRP 57 10.830 -14.872 10.375 528 HE3 TRP 57 HE3 TRP 57 14.282 -11.998 7.231 529 HZ2 TRP 57 HZ2 TRP 57 11.191 -15.968 7.764 530 HZ3 TRP 57 HZ3 TRP 57 13.912 -13.638 5.390 531 HH2 TRP 57 HH2 TRP 57 12.429 -15.569 5.604 532 QB TRP 57 QB TRP 57 14.255 -11.095 10.383 533 H ASP 58 H ASP 58 13.160 -9.098 12.202 534 HA ASP 58 HA ASP 58 10.800 -9.688 13.263 535 1HB ASP 58 1HB ASP 58 12.958 -8.365 14.156 536 2HB ASP 58 2HB ASP 58 11.946 -6.961 13.885 537 HD2 ASP 58 HD2 ASP 58 9.911 -7.023 14.981 538 QB ASP 58 QB ASP 58 12.452 -7.663 14.021 539 H LEU 59 H LEU 59 11.687 -6.565 11.608 540 HA LEU 59 HA LEU 59 9.084 -5.479 11.817 541 1HB LEU 59 1HB LEU 59 10.922 -4.008 11.677 542 2HB LEU 59 2HB LEU 59 11.546 -4.780 10.233 543 HG LEU 59 HG LEU 59 10.399 -2.496 10.002 544 1HD1 LEU 59 1HD1 LEU 59 10.399 -4.832 8.296 545 2HD1 LEU 59 2HD1 LEU 59 8.994 -3.793 7.953 546 3HD1 LEU 59 3HD1 LEU 59 10.639 -3.117 7.884 547 1HD2 LEU 59 1HD2 LEU 59 8.335 -3.696 11.339 548 2HD2 LEU 59 2HD2 LEU 59 8.205 -2.218 10.357 549 3HD2 LEU 59 3HD2 LEU 59 7.786 -3.796 9.649 550 MD1 LEU 59 MD1 LEU 59 10.011 -3.914 8.044 551 MD2 LEU 59 MD2 LEU 59 8.109 -3.237 10.448 552 QB LEU 59 QB LEU 59 11.234 -4.394 10.955 553 QD LEU 59 QD LEU 59 9.060 -3.575 9.246 554 H ALA 60 H ALA 60 10.714 -7.673 9.573 555 HA ALA 60 HA ALA 60 8.993 -7.285 7.384 556 1HB ALA 60 2HB ALA 60 10.454 -9.839 8.139 557 2HB ALA 60 1HB ALA 60 11.284 -8.416 7.465 558 3HB ALA 60 3HB ALA 60 10.035 -9.251 6.512 559 MB ALA 60 MB ALA 60 10.591 -9.169 7.372 560 H ASP 61 H ASP 61 9.097 -9.969 9.844 561 HA ASP 61 HA ASP 61 6.961 -11.338 9.173 562 1HB ASP 61 1HB ASP 61 8.232 -11.921 11.147 563 2HB ASP 61 2HB ASP 61 7.826 -10.413 11.941 564 HD2 ASP 61 HD2 ASP 61 5.772 -13.260 10.806 565 QB ASP 61 QB ASP 61 8.029 -11.167 11.544 566 H THR 62 H THR 62 4.737 -10.957 8.946 567 HA THR 62 HA THR 62 3.284 -9.229 10.622 568 HB THR 62 HB THR 62 4.416 -8.113 8.047 569 HG1 THR 62 HG1 THR 62 4.907 -6.557 9.583 570 1HG2 THR 62 1HG2 THR 62 1.583 -7.915 8.918 571 2HG2 THR 62 2HG2 THR 62 2.398 -6.337 8.801 572 3HG2 THR 62 3HG2 THR 62 2.327 -7.410 7.382 573 MG THR 62 MG THR 62 2.103 -7.220 8.367 574 H ASP 63 H ASP 63 3.452 -10.471 7.221 575 HA ASP 63 HA ASP 63 0.804 -10.736 6.804 576 1HB ASP 63 1HB ASP 63 2.961 -11.356 5.365 577 2HB ASP 63 2HB ASP 63 2.676 -12.971 5.983 578 HD2 ASP 63 HD2 ASP 63 -0.306 -11.204 4.143 579 QB ASP 63 QB ASP 63 2.819 -12.163 5.674 580 H GLY 64 H GLY 64 3.111 -13.082 8.349 581 1HA GLY 64 1HA GLY 64 2.064 -14.128 10.391 582 2HA GLY 64 2HA GLY 64 0.798 -14.657 9.300 583 QA GLY 64 QA GLY 64 1.431 -14.392 9.845 584 H LYS 65 H LYS 65 2.978 -16.113 10.951 585 HA LYS 65 HA LYS 65 4.068 -18.026 10.734 586 1HB LYS 65 1HB LYS 65 2.195 -18.272 8.806 587 2HB LYS 65 2HB LYS 65 3.633 -18.336 7.808 588 1HG LYS 65 1HG LYS 65 4.371 -20.334 8.735 589 2HG LYS 65 2HG LYS 65 3.699 -19.980 10.315 590 1HD LYS 65 1HD LYS 65 1.407 -20.437 9.473 591 2HD LYS 65 2HD LYS 65 2.034 -20.718 7.861 592 1HE LYS 65 1HE LYS 65 2.968 -22.335 10.273 593 2HE LYS 65 2HE LYS 65 1.586 -22.812 9.307 594 QB LYS 65 QB LYS 65 2.914 -18.304 8.307 595 QD LYS 65 QD LYS 65 1.721 -20.578 8.667 596 QG LYS 65 QG LYS 65 4.035 -20.157 9.525 597 QE LYS 65 QE LYS 65 2.277 -22.574 9.790 598 QZ LYS 65 QZ LYS 65 3.299 -23.181 7.775 599 H GLY 66 H GLY 66 6.031 -19.040 9.394 600 1HA GLY 66 1HA GLY 66 8.021 -17.000 9.325 601 2HA GLY 66 2HA GLY 66 8.220 -18.702 8.954 602 QA GLY 66 QA GLY 66 8.120 -17.851 9.139 603 H VAL 67 H VAL 67 6.482 -19.138 6.817 604 HA VAL 67 HA VAL 67 7.888 -18.486 4.634 605 HB VAL 67 HB VAL 67 4.871 -18.634 4.795 606 1HG1 VAL 67 1HG1 VAL 67 6.333 -17.992 2.605 607 2HG1 VAL 67 2HG1 VAL 67 6.347 -19.768 2.484 608 3HG1 VAL 67 3HG1 VAL 67 4.799 -18.892 2.544 609 1HG2 VAL 67 1HG2 VAL 67 6.878 -20.590 5.455 610 2HG2 VAL 67 2HG2 VAL 67 5.105 -20.733 5.510 611 3HG2 VAL 67 3HG2 VAL 67 5.983 -21.119 4.010 612 MG1 VAL 67 MG1 VAL 67 5.827 -18.884 2.544 613 MG2 VAL 67 MG2 VAL 67 5.989 -20.814 4.992 614 QG VAL 67 QG VAL 67 5.908 -19.849 3.768 615 H LEU 68 H LEU 68 7.921 -16.835 3.037 616 HA LEU 68 HA LEU 68 6.953 -14.274 4.073 617 1HB LEU 68 1HB LEU 68 9.075 -14.880 2.009 618 2HB LEU 68 2HB LEU 68 8.610 -13.283 2.561 619 HG LEU 68 HG LEU 68 9.860 -15.449 4.275 620 1HD1 LEU 68 1HD1 LEU 68 11.224 -14.173 2.428 621 2HD1 LEU 68 2HD1 LEU 68 11.198 -12.850 3.620 622 3HD1 LEU 68 3HD1 LEU 68 11.904 -14.426 4.053 623 1HD2 LEU 68 1HD2 LEU 68 8.392 -13.068 4.987 624 2HD2 LEU 68 2HD2 LEU 68 9.081 -14.337 6.029 625 3HD2 LEU 68 3HD2 LEU 68 10.081 -12.949 5.537 626 MD1 LEU 68 MD1 LEU 68 11.442 -13.816 3.367 627 MD2 LEU 68 MD2 LEU 68 9.185 -13.451 5.518 628 QB LEU 68 QB LEU 68 8.842 -14.081 2.285 629 QD LEU 68 QD LEU 68 10.313 -13.634 4.442 630 H SER 69 H SER 69 6.491 -12.666 2.095 631 HA SER 69 HA SER 69 4.866 -14.164 0.196 632 1HB SER 69 2HB SER 69 3.064 -12.578 0.405 633 2HB SER 69 1HB SER 69 4.042 -11.476 1.353 634 HG SER 69 HG SER 69 4.073 -13.054 3.079 635 QB SER 69 QB SER 69 3.553 -12.027 0.879 636 H LYS 70 H LYS 70 3.938 -11.798 -1.218 637 HA LYS 70 HA LYS 70 6.197 -11.351 -2.850 638 1HB LYS 70 1HB LYS 70 3.336 -10.525 -2.802 639 2HB LYS 70 2HB LYS 70 4.432 -9.508 -3.715 640 1HG LYS 70 2HG LYS 70 5.145 -12.204 -4.347 641 2HG LYS 70 1HG LYS 70 4.412 -11.016 -5.405 642 1HD LYS 70 1HD LYS 70 2.441 -12.152 -3.539 643 2HD LYS 70 2HD LYS 70 2.364 -12.011 -5.284 644 1HE LYS 70 1HE LYS 70 3.147 -14.147 -5.628 645 2HE LYS 70 2HE LYS 70 4.321 -14.039 -4.331 646 QB LYS 70 QB LYS 70 3.884 -10.017 -3.258 647 QD LYS 70 QD LYS 70 2.402 -12.082 -4.412 648 QG LYS 70 QG LYS 70 4.779 -11.610 -4.876 649 QE LYS 70 QE LYS 70 3.734 -14.093 -4.980 650 QZ LYS 70 QZ LYS 70 2.424 -15.196 -3.545 651 H GLN 71 H GLN 71 4.220 -8.592 -1.726 652 HA GLN 71 HA GLN 71 6.145 -6.777 -1.698 653 1HB GLN 71 1HB GLN 71 3.522 -7.018 -0.598 654 2HB GLN 71 2HB GLN 71 4.521 -6.331 0.668 655 1HG GLN 71 1HG GLN 71 5.332 -4.969 -1.674 656 2HG GLN 71 2HG GLN 71 3.592 -5.105 -1.834 657 2HE2 GLN 71 1HE2 GLN 71 2.587 -3.396 -1.133 658 1HE2 GLN 71 2HE2 GLN 71 2.972 -2.439 0.259 659 QB GLN 71 QB GLN 71 4.022 -6.674 0.035 660 QG GLN 71 QG GLN 71 4.462 -5.037 -1.754 661 QE GLN 71 QE GLN 71 2.780 -2.917 -0.437 662 H GLU 72 H GLU 72 5.341 -8.972 1.072 663 HA GLU 72 HA GLU 72 6.908 -8.049 2.988 664 1HB GLU 72 1HB GLU 72 6.070 -10.770 2.130 665 2HB GLU 72 2HB GLU 72 7.449 -10.746 3.210 666 1HG GLU 72 1HG GLU 72 5.716 -8.880 4.377 667 2HG GLU 72 2HG GLU 72 4.618 -10.102 3.769 668 HE2 GLU 72 HE2 GLU 72 7.425 -11.688 6.146 669 QB GLU 72 QB GLU 72 6.760 -10.758 2.670 670 QG GLU 72 QG GLU 72 5.167 -9.491 4.073 671 H PHE 73 H PHE 73 8.199 -10.723 0.892 672 HA PHE 73 HA PHE 73 10.841 -10.271 1.561 673 1HB PHE 73 1HB PHE 73 10.178 -12.344 0.504 674 2HB PHE 73 2HB PHE 73 9.292 -11.512 -0.759 675 HD1 PHE 73 HD1 PHE 73 10.523 -10.440 -2.630 676 HD2 PHE 73 HD2 PHE 73 12.510 -12.811 0.275 677 HE1 PHE 73 HE1 PHE 73 12.501 -10.657 -4.160 678 HE2 PHE 73 HE2 PHE 73 14.488 -13.027 -1.255 679 HZ PHE 73 HZ PHE 73 14.460 -11.948 -3.454 680 QB PHE 73 QB PHE 73 9.735 -11.928 -0.127 681 QD PHE 73 QD PHE 73 11.516 -11.626 -1.177 682 QE PHE 73 QE PHE 73 13.495 -11.842 -2.707 683 QR PHE 73 QR PHE 73 12.506 -11.734 -1.942 684 H PHE 74 H PHE 74 8.744 -8.703 -0.847 685 HA PHE 74 HA PHE 74 10.901 -7.557 -2.309 686 1HB PHE 74 1HB PHE 74 7.925 -7.620 -2.199 687 2HB PHE 74 2HB PHE 74 8.523 -6.035 -2.649 688 HD1 PHE 74 HD1 PHE 74 8.341 -9.562 -3.641 689 HD2 PHE 74 HD2 PHE 74 9.615 -5.674 -4.770 690 HE1 PHE 74 HE1 PHE 74 8.648 -10.349 -6.005 691 HE2 PHE 74 HE2 PHE 74 9.922 -6.461 -7.134 692 HZ PHE 74 HZ PHE 74 9.434 -8.789 -7.723 693 QB PHE 74 QB PHE 74 8.224 -6.828 -2.424 694 QD PHE 74 QD PHE 74 8.978 -7.618 -4.206 695 QE PHE 74 QE PHE 74 9.285 -8.405 -6.569 696 QR PHE 74 QR PHE 74 9.131 -8.012 -5.388 697 H VAL 75 H VAL 75 9.738 -7.000 0.812 698 HA VAL 75 HA VAL 75 10.208 -4.120 0.664 699 HB VAL 75 HB VAL 75 8.629 -5.946 2.333 700 1HG1 VAL 75 1HG1 VAL 75 10.199 -3.688 3.614 701 2HG1 VAL 75 2HG1 VAL 75 8.763 -4.445 4.344 702 3HG1 VAL 75 3HG1 VAL 75 10.226 -5.414 4.047 703 1HG2 VAL 75 1HG2 VAL 75 8.187 -3.698 0.779 704 2HG2 VAL 75 2HG2 VAL 75 7.030 -4.429 1.917 705 3HG2 VAL 75 3HG2 VAL 75 8.058 -3.073 2.441 706 MG1 VAL 75 MG1 VAL 75 9.729 -4.516 4.002 707 MG2 VAL 75 MG2 VAL 75 7.758 -3.733 1.712 708 QG VAL 75 QG VAL 75 8.744 -4.124 2.857 709 H ALA 76 H ALA 76 11.208 -7.069 2.531 710 HA ALA 76 HA ALA 76 13.204 -5.849 4.005 711 1HB ALA 76 2HB ALA 76 13.413 -8.679 2.961 712 2HB ALA 76 3HB ALA 76 13.842 -8.038 4.566 713 3HB ALA 76 1HB ALA 76 12.131 -8.228 4.111 714 MB ALA 76 MB ALA 76 13.129 -8.315 3.879 715 H LEU 77 H LEU 77 13.024 -6.654 0.592 716 HA LEU 77 HA LEU 77 15.755 -6.911 0.065 717 1HB LEU 77 1HB LEU 77 13.268 -6.685 -1.393 718 2HB LEU 77 2HB LEU 77 14.532 -5.757 -2.177 719 HG LEU 77 HG LEU 77 14.671 -8.702 -1.470 720 1HD1 LEU 77 1HD1 LEU 77 13.114 -8.216 -3.303 721 2HD1 LEU 77 2HD1 LEU 77 14.405 -7.348 -4.169 722 3HD1 LEU 77 3HD1 LEU 77 14.553 -9.097 -3.872 723 1HD2 LEU 77 1HD2 LEU 77 16.721 -6.761 -2.398 724 2HD2 LEU 77 2HD2 LEU 77 16.886 -8.233 -1.410 725 3HD2 LEU 77 3HD2 LEU 77 16.711 -8.362 -3.176 726 MD1 LEU 77 MD1 LEU 77 14.024 -8.220 -3.781 727 MD2 LEU 77 MD2 LEU 77 16.772 -7.785 -2.328 728 QB LEU 77 QB LEU 77 13.900 -6.221 -1.785 729 QD LEU 77 QD LEU 77 15.398 -8.003 -3.055 730 H ARG 78 H ARG 78 13.702 -4.045 -0.801 731 HA ARG 78 HA ARG 78 15.798 -2.367 -1.169 732 1HB ARG 78 1HB ARG 78 12.879 -2.059 -0.583 733 2HB ARG 78 2HB ARG 78 13.848 -0.632 -0.274 734 1HG ARG 78 1HG ARG 78 12.908 -0.785 -2.634 735 2HG ARG 78 2HG ARG 78 14.642 -0.549 -2.553 736 1HD ARG 78 1HD ARG 78 13.839 -3.410 -2.540 737 2HD ARG 78 2HD ARG 78 13.364 -2.558 -3.996 738 HE ARG 78 HE ARG 78 16.061 -3.278 -3.239 739 1HH1 ARG 78 1HH1 ARG 78 14.219 -0.752 -4.907 740 2HH1 ARG 78 2HH1 ARG 78 15.552 -0.261 -5.897 741 2HH2 ARG 78 HH2 ARG 78 17.660 -1.378 -5.668 742 QB ARG 78 QB ARG 78 13.364 -1.346 -0.428 743 QG ARG 78 QG ARG 78 13.775 -0.667 -2.594 744 QD ARG 78 QD ARG 78 13.602 -2.984 -3.268 745 QH1 ARG 78 QH1 ARG 78 14.885 -0.506 -5.402 746 H LEU 79 H LEU 79 13.956 -3.124 1.839 747 HA LEU 79 HA LEU 79 14.863 -1.188 3.513 748 1HB LEU 79 1HB LEU 79 13.314 -3.339 3.774 749 2HB LEU 79 2HB LEU 79 14.757 -3.984 4.530 750 HG LEU 79 HG LEU 79 13.255 -1.491 5.374 751 1HD1 LEU 79 1HD1 LEU 79 13.101 -4.323 6.148 752 2HD1 LEU 79 2HD1 LEU 79 13.264 -3.194 7.515 753 3HD1 LEU 79 3HD1 LEU 79 11.926 -3.002 6.357 754 1HD2 LEU 79 1HD2 LEU 79 15.735 -1.340 5.683 755 2HD2 LEU 79 2HD2 LEU 79 14.791 -1.256 7.190 756 3HD2 LEU 79 3HD2 LEU 79 15.633 -2.761 6.750 757 MD1 LEU 79 MD1 LEU 79 12.764 -3.507 6.673 758 MD2 LEU 79 MD2 LEU 79 15.386 -1.786 6.541 759 QB LEU 79 QB LEU 79 14.035 -3.661 4.152 760 QD LEU 79 QD LEU 79 14.075 -2.646 6.607 761 H VAL 80 H VAL 80 16.512 -4.305 2.677 762 HA VAL 80 HA VAL 80 18.729 -3.907 4.301 763 HB VAL 80 HB VAL 80 18.239 -5.444 1.758 764 1HG1 VAL 80 1HG1 VAL 80 20.799 -4.735 2.886 765 2HG1 VAL 80 2HG1 VAL 80 20.537 -6.491 3.026 766 3HG1 VAL 80 3HG1 VAL 80 20.431 -5.698 1.435 767 1HG2 VAL 80 1HG2 VAL 80 17.188 -6.039 4.044 768 2HG2 VAL 80 2HG2 VAL 80 18.009 -7.329 3.132 769 3HG2 VAL 80 3HG2 VAL 80 18.830 -6.548 4.505 770 MG1 VAL 80 MG1 VAL 80 20.589 -5.641 2.449 771 MG2 VAL 80 MG2 VAL 80 18.009 -6.639 3.894 772 QG VAL 80 QG VAL 80 19.299 -6.140 3.171 773 H ALA 81 H ALA 81 17.973 -2.803 0.961 774 HA ALA 81 HA ALA 81 20.556 -1.755 0.483 775 1HB ALA 81 1HB ALA 81 18.175 -2.212 -0.945 776 2HB ALA 81 3HB ALA 81 19.689 -1.523 -1.581 777 3HB ALA 81 2HB ALA 81 18.403 -0.447 -0.983 778 MB ALA 81 MB ALA 81 18.756 -1.394 -1.170 779 H CYS 82 H CYS 82 18.008 -0.823 2.579 780 HA CYS 82 HA CYS 82 18.427 1.992 2.350 781 1HB CYS 82 1HB CYS 82 16.408 0.393 3.383 782 2HB CYS 82 2HB CYS 82 17.158 1.049 4.824 783 HG CYS 82 HG CYS 82 16.543 2.907 2.416 784 QB CYS 82 QB CYS 82 16.783 0.721 4.103 785 H ALA 83 H ALA 83 18.986 -0.488 4.967 786 HA ALA 83 HA ALA 83 20.621 1.190 6.502 787 1HB ALA 83 2HB ALA 83 20.903 -1.802 6.554 788 2HB ALA 83 3HB ALA 83 20.796 -0.646 7.904 789 3HB ALA 83 1HB ALA 83 19.333 -1.084 6.988 790 MB ALA 83 MB ALA 83 20.344 -1.177 7.149 791 H GLN 84 H GLN 84 21.146 -0.418 3.492 792 HA GLN 84 HA GLN 84 23.854 -1.019 3.807 793 1HB GLN 84 1HB GLN 84 22.025 -0.604 1.429 794 2HB GLN 84 2HB GLN 84 23.745 -0.827 1.178 795 1HG GLN 84 1HG GLN 84 22.593 -2.786 3.078 796 2HG GLN 84 2HG GLN 84 21.869 -2.872 1.484 797 2HE2 GLN 84 1HE2 GLN 84 23.712 -2.402 -0.288 798 1HE2 GLN 84 2HE2 GLN 84 25.065 -3.480 -0.193 799 QB GLN 84 QB GLN 84 22.885 -0.716 1.303 800 QG GLN 84 QG GLN 84 22.231 -2.829 2.281 801 QE GLN 84 QE GLN 84 24.388 -2.941 -0.240 802 H ASN 85 H ASN 85 22.139 1.974 3.513 803 HA ASN 85 HA ASN 85 24.595 3.286 2.658 804 1HB ASN 85 1HB ASN 85 22.811 3.903 1.160 805 2HB ASN 85 2HB ASN 85 21.654 4.063 2.467 806 2HD2 ASN 85 1HD2 ASN 85 21.095 6.063 2.800 807 1HD2 ASN 85 2HD2 ASN 85 22.107 7.468 2.742 808 QB ASN 85 QB ASN 85 22.232 3.983 1.813 809 QD ASN 85 QD ASN 85 21.601 6.765 2.771 810 H GLY 86 H GLY 86 22.390 2.640 5.261 811 1HA GLY 86 1HA GLY 86 23.252 3.251 7.465 812 2HA GLY 86 2HA GLY 86 23.528 4.867 6.845 813 QA GLY 86 QA GLY 86 23.390 4.059 7.155 814 H LEU 87 H LEU 87 20.702 3.493 5.448 815 HA LEU 87 HA LEU 87 19.057 5.317 6.919 816 1HB LEU 87 1HB LEU 87 18.505 3.334 4.712 817 2HB LEU 87 2HB LEU 87 17.269 4.346 5.432 818 HG LEU 87 HG LEU 87 19.726 5.663 4.334 819 1HD1 LEU 87 1HD1 LEU 87 18.844 3.917 2.671 820 2HD1 LEU 87 2HD1 LEU 87 17.423 4.977 2.514 821 3HD1 LEU 87 3HD1 LEU 87 19.042 5.592 2.101 822 1HD2 LEU 87 1HD2 LEU 87 16.801 6.444 4.476 823 2HD2 LEU 87 2HD2 LEU 87 18.120 7.035 5.515 824 3HD2 LEU 87 3HD2 LEU 87 18.102 7.441 3.782 825 MD1 LEU 87 MD1 LEU 87 18.436 4.829 2.429 826 MD2 LEU 87 MD2 LEU 87 17.675 6.973 4.591 827 QB LEU 87 QB LEU 87 17.887 3.840 5.072 828 QD LEU 87 QD LEU 87 18.055 5.901 3.510 829 H GLU 88 H GLU 88 17.198 4.750 8.211 830 HA GLU 88 HA GLU 88 17.671 2.982 10.160 831 1HB GLU 88 1HB GLU 88 15.684 4.751 9.631 832 2HB GLU 88 2HB GLU 88 14.801 3.266 9.337 833 1HG GLU 88 1HG GLU 88 15.462 2.417 11.591 834 2HG GLU 88 2HG GLU 88 16.371 3.885 11.885 835 HE2 GLU 88 HE2 GLU 88 12.352 4.192 11.782 836 QB GLU 88 QB GLU 88 15.243 4.008 9.484 837 QG GLU 88 QG GLU 88 15.917 3.151 11.738 838 H VAL 89 H VAL 89 16.400 0.911 10.748 839 HA VAL 89 HA VAL 89 16.415 -0.815 8.379 840 HB VAL 89 HB VAL 89 16.601 -1.567 11.300 841 1HG1 VAL 89 1HG1 VAL 89 15.809 -3.364 9.827 842 2HG1 VAL 89 2HG1 VAL 89 17.223 -3.131 8.771 843 3HG1 VAL 89 3HG1 VAL 89 17.444 -3.709 10.440 844 1HG2 VAL 89 1HG2 VAL 89 18.522 -0.166 9.866 845 2HG2 VAL 89 2HG2 VAL 89 18.801 -1.143 11.327 846 3HG2 VAL 89 3HG2 VAL 89 19.043 -1.861 9.717 847 MG1 VAL 89 MG1 VAL 89 16.826 -3.401 9.679 848 MG2 VAL 89 MG2 VAL 89 18.789 -1.057 10.303 849 QG VAL 89 QG VAL 89 17.807 -2.229 9.991 850 H SER 90 H SER 90 14.347 0.908 10.442 851 HA SER 90 HA SER 90 12.297 -1.125 10.356 852 1HB SER 90 1HB SER 90 12.752 1.415 11.872 853 2HB SER 90 2HB SER 90 11.081 1.018 11.527 854 HG SER 90 HG SER 90 11.144 -0.477 13.049 855 QB SER 90 QB SER 90 11.916 1.217 11.699 856 H LEU 91 H LEU 91 10.159 -0.668 9.401 857 HA LEU 91 HA LEU 91 10.368 0.587 6.897 858 1HB LEU 91 1HB LEU 91 8.308 -0.818 8.480 859 2HB LEU 91 2HB LEU 91 7.699 0.313 7.288 860 HG LEU 91 HG LEU 91 9.667 -1.895 6.639 861 1HD1 LEU 91 1HD1 LEU 91 7.376 -2.635 7.547 862 2HD1 LEU 91 2HD1 LEU 91 6.721 -2.003 6.018 863 3HD1 LEU 91 3HD1 LEU 91 7.927 -3.311 5.996 864 1HD2 LEU 91 1HD2 LEU 91 8.693 0.361 5.168 865 2HD2 LEU 91 2HD2 LEU 91 9.837 -0.906 4.664 866 3HD2 LEU 91 3HD2 LEU 91 8.089 -1.134 4.412 867 MD1 LEU 91 MD1 LEU 91 7.341 -2.650 6.520 868 MD2 LEU 91 MD2 LEU 91 8.873 -0.560 4.748 869 QB LEU 91 QB LEU 91 8.003 -0.253 7.884 870 QD LEU 91 QD LEU 91 8.107 -1.605 5.634 871 H SER 92 H SER 92 9.640 1.750 10.120 872 HA SER 92 HA SER 92 8.001 3.849 9.577 873 1HB SER 92 1HB SER 92 9.862 3.061 11.701 874 2HB SER 92 2HB SER 92 9.808 4.804 11.525 875 HG SER 92 HG SER 92 8.175 4.116 12.996 876 QB SER 92 QB SER 92 9.835 3.932 11.613 877 H SER 93 H SER 93 11.292 3.311 8.575 878 HA SER 93 HA SER 93 11.427 6.104 7.744 879 1HB SER 93 1HB SER 93 13.299 4.560 9.308 880 2HB SER 93 2HB SER 93 14.055 4.934 7.772 881 HG SER 93 HG SER 93 12.949 7.218 8.410 882 QB SER 93 QB SER 93 13.677 4.747 8.540 883 H LEU 94 H LEU 94 10.116 3.992 6.276 884 HA LEU 94 HA LEU 94 12.031 3.618 4.077 885 1HB LEU 94 1HB LEU 94 10.065 1.797 5.343 886 2HB LEU 94 2HB LEU 94 10.169 1.738 3.595 887 HG LEU 94 HG LEU 94 11.588 0.044 4.573 888 1HD1 LEU 94 1HD1 LEU 94 12.555 2.135 2.829 889 2HD1 LEU 94 2HD1 LEU 94 13.892 1.425 3.765 890 3HD1 LEU 94 3HD1 LEU 94 12.845 0.379 2.776 891 1HD2 LEU 94 1HD2 LEU 94 12.284 2.168 6.426 892 2HD2 LEU 94 2HD2 LEU 94 12.487 0.405 6.573 893 3HD2 LEU 94 3HD2 LEU 94 13.732 1.380 5.755 894 MD1 LEU 94 MD1 LEU 94 13.097 1.313 3.123 895 MD2 LEU 94 MD2 LEU 94 12.834 1.318 6.251 896 QB LEU 94 QB LEU 94 10.117 1.767 4.469 897 QD LEU 94 QD LEU 94 12.966 1.315 4.687 898 H SER 95 H SER 95 10.258 2.920 2.056 899 HA SER 95 HA SER 95 8.639 3.633 0.744 900 1HB SER 95 2HB SER 95 7.639 4.571 3.126 901 2HB SER 95 1HB SER 95 6.830 4.732 1.580 902 HG SER 95 HG SER 95 7.645 6.846 1.346 903 QB SER 95 QB SER 95 7.234 4.652 2.353 904 H LEU 96 H LEU 96 11.437 5.109 1.715 905 HA LEU 96 HA LEU 96 11.169 7.481 0.068 906 1HB LEU 96 2HB LEU 96 13.116 8.233 1.045 907 2HB LEU 96 1HB LEU 96 13.711 6.619 1.383 908 HG LEU 96 HG LEU 96 11.553 6.607 2.993 909 1HD1 LEU 96 1HD1 LEU 96 13.850 6.080 3.644 910 2HD1 LEU 96 2HD1 LEU 96 14.243 7.815 3.694 911 3HD1 LEU 96 3HD1 LEU 96 13.064 7.137 4.841 912 1HD2 LEU 96 1HD2 LEU 96 11.093 9.016 2.200 913 2HD2 LEU 96 2HD2 LEU 96 11.015 8.665 3.944 914 3HD2 LEU 96 3HD2 LEU 96 12.449 9.470 3.261 915 MD1 LEU 96 MD1 LEU 96 13.719 7.011 4.059 916 MD2 LEU 96 MD2 LEU 96 11.519 9.050 3.135 917 QB LEU 96 QB LEU 96 13.414 7.426 1.214 918 QD LEU 96 QD LEU 96 12.619 8.031 3.597 919 H ALA 97 H ALA 97 13.900 7.548 -0.882 920 HA ALA 97 HA ALA 97 13.614 5.572 -3.022 921 1HB ALA 97 2HB ALA 97 15.444 7.989 -2.984 922 2HB ALA 97 1HB ALA 97 13.722 8.123 -3.415 923 3HB ALA 97 3HB ALA 97 14.806 7.098 -4.387 924 MB ALA 97 MB ALA 97 14.657 7.737 -3.595 925 H VAL 98 H VAL 98 14.393 4.132 -1.005 926 HA VAL 98 HA VAL 98 16.845 4.168 0.061 927 HB VAL 98 HB VAL 98 16.677 1.821 0.299 928 1HG1 VAL 98 1HG1 VAL 98 14.693 3.488 1.060 929 2HG1 VAL 98 2HG1 VAL 98 13.758 2.339 0.073 930 3HG1 VAL 98 3HG1 VAL 98 14.720 1.752 1.451 931 1HG2 VAL 98 1HG2 VAL 98 15.656 1.906 -2.387 932 2HG2 VAL 98 2HG2 VAL 98 16.210 0.506 -1.439 933 3HG2 VAL 98 3HG2 VAL 98 14.509 1.024 -1.350 934 MG1 VAL 98 MG1 VAL 98 14.390 2.526 0.861 935 MG2 VAL 98 MG2 VAL 98 15.458 1.145 -1.725 936 QG VAL 98 QG VAL 98 14.924 1.836 -0.432 937 HA PRO 99 HA PRO 99 19.715 3.886 -3.160 938 1HB PRO 99 1HB PRO 99 21.922 3.015 -1.802 939 2HB PRO 99 2HB PRO 99 21.404 4.690 -1.816 940 1HG PRO 99 1HG PRO 99 21.151 2.689 0.345 941 2HG PRO 99 2HG PRO 99 21.038 4.435 0.447 942 1HD PRO 99 1HD PRO 99 18.860 2.570 0.494 943 2HD PRO 99 2HD PRO 99 18.743 4.318 0.478 944 QB PRO 99 QB PRO 99 21.663 3.853 -1.809 945 QG PRO 99 QG PRO 99 21.095 3.562 0.396 946 QD PRO 99 QD PRO 99 18.801 3.444 0.486 947 HA PRO 100 HA PRO 100 20.163 -0.044 -4.710 948 1HB PRO 100 1HB PRO 100 22.598 -0.107 -5.948 949 2HB PRO 100 2HB PRO 100 21.181 0.640 -6.658 950 1HG PRO 100 2HG PRO 100 22.336 2.630 -6.495 951 2HG PRO 100 1HG PRO 100 23.533 1.933 -5.421 952 1HD PRO 100 1HD PRO 100 22.509 2.988 -3.654 953 2HD PRO 100 2HD PRO 100 21.247 3.588 -4.711 954 QB PRO 100 QB PRO 100 21.889 0.267 -6.303 955 QG PRO 100 QG PRO 100 22.935 2.282 -5.958 956 QD PRO 100 QD PRO 100 21.878 3.288 -4.183 957 HA PRO 101 HA PRO 101 22.072 -2.357 -1.657 958 1HB PRO 101 1HB PRO 101 20.855 -4.752 -2.158 959 2HB PRO 101 2HB PRO 101 20.140 -3.505 -1.155 960 1HG PRO 101 2HG PRO 101 18.493 -3.370 -2.764 961 2HG PRO 101 1HG PRO 101 19.439 -4.289 -3.918 962 1HD PRO 101 1HD PRO 101 19.939 -2.331 -5.013 963 2HD PRO 101 2HD PRO 101 19.090 -1.403 -3.794 964 QB PRO 101 QB PRO 101 20.498 -4.129 -1.656 965 QG PRO 101 QG PRO 101 18.966 -3.830 -3.341 966 QD PRO 101 QD PRO 101 19.514 -1.867 -4.403 967 H ARG 102 H ARG 102 22.724 -5.068 -1.828 968 HA ARG 102 HA ARG 102 24.889 -4.750 -3.718 969 1HB ARG 102 1HB ARG 102 24.916 -5.572 -1.098 970 2HB ARG 102 2HB ARG 102 24.795 -7.130 -1.892 971 1HG ARG 102 2HG ARG 102 26.755 -6.277 -3.413 972 2HG ARG 102 1HG ARG 102 27.126 -6.808 -1.785 973 1HD ARG 102 1HD ARG 102 26.386 -3.927 -1.993 974 2HD ARG 102 2HD ARG 102 27.667 -4.683 -1.066 975 HE ARG 102 HE ARG 102 27.939 -3.510 -3.678 976 1HH1 ARG 102 1HH1 ARG 102 29.090 -6.275 -1.784 977 2HH1 ARG 102 2HH1 ARG 102 30.577 -6.414 -2.662 978 2HH2 ARG 102 HH2 ARG 102 31.032 -4.887 -4.451 979 QB ARG 102 QB ARG 102 24.855 -6.351 -1.495 980 QG ARG 102 QG ARG 102 26.941 -6.543 -2.599 981 QD ARG 102 QD ARG 102 27.027 -4.305 -1.530 982 QH1 ARG 102 QH1 ARG 102 29.834 -6.345 -2.223 983 H PHE 103 H PHE 103 21.996 -6.669 -2.973 984 HA PHE 103 HA PHE 103 22.304 -9.006 -4.191 985 1HB PHE 103 2HB PHE 103 19.887 -8.807 -4.704 986 2HB PHE 103 1HB PHE 103 20.008 -7.062 -4.817 987 HD1 PHE 103 HD1 PHE 103 21.038 -9.581 -2.249 988 HD2 PHE 103 HD2 PHE 103 18.894 -6.020 -3.102 989 HE1 PHE 103 HE1 PHE 103 20.409 -9.381 0.173 990 HE2 PHE 103 HE2 PHE 103 18.264 -5.819 -0.680 991 HZ PHE 103 HZ PHE 103 19.029 -7.502 0.928 992 QB PHE 103 QB PHE 103 19.948 -7.934 -4.761 993 QD PHE 103 QD PHE 103 19.966 -7.801 -2.675 994 QE PHE 103 QE PHE 103 19.336 -7.600 -0.254 995 QR PHE 103 QR PHE 103 19.651 -7.700 -1.464 996 H HIS 104 H HIS 104 21.646 -9.831 -6.395 997 HA HIS 104 HA HIS 104 23.170 -8.490 -8.351 998 1HB HIS 104 1HB HIS 104 21.764 -11.031 -8.041 999 2HB HIS 104 2HB HIS 104 21.600 -10.386 -9.662 1000 HD1 HIS 104 HD1 HIS 104 23.761 -10.200 -11.123 1001 HD2 HIS 104 HD2 HIS 104 24.382 -11.830 -7.308 1002 HE1 HIS 104 HE1 HIS 104 26.096 -11.227 -11.157 1003 QB HIS 104 QB HIS 104 21.682 -10.709 -8.851 1004 H ASP 105 H ASP 105 22.092 -8.200 -10.679 1005 HA ASP 105 HA ASP 105 20.670 -5.977 -10.685 1006 1HB ASP 105 1HB ASP 105 21.343 -7.996 -12.575 1007 2HB ASP 105 2HB ASP 105 19.623 -7.731 -12.783 1008 HD2 ASP 105 HD2 ASP 105 20.575 -5.772 -15.119 1009 QB ASP 105 QB ASP 105 20.483 -7.863 -12.679 No H/Q in entry = 1009 Start of MODEL 23 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.751 0.868 -1.820 3 1HB LEU 7 1HB LEU 7 3.924 -0.717 -0.444 4 2HB LEU 7 2HB LEU 7 4.092 0.200 -1.928 5 HG LEU 7 HG LEU 7 3.871 1.166 0.896 6 1HD1 LEU 7 1HD1 LEU 7 6.035 0.866 -0.439 7 2HD1 LEU 7 2HD1 LEU 7 5.518 2.297 -1.364 8 3HD1 LEU 7 3HD1 LEU 7 5.785 2.420 0.392 9 1HD2 LEU 7 1HD2 LEU 7 3.032 2.794 -1.518 10 2HD2 LEU 7 2HD2 LEU 7 2.014 2.312 -0.139 11 3HD2 LEU 7 3HD2 LEU 7 3.358 3.454 0.103 12 MD1 LEU 7 MD1 LEU 7 5.780 1.861 -0.470 13 MD2 LEU 7 MD2 LEU 7 2.802 2.853 -0.518 14 QB LEU 7 QB LEU 7 4.008 -0.258 -1.186 15 QD LEU 7 QD LEU 7 4.291 2.357 -0.494 16 H SER 8 H SER 8 2.591 -2.456 -0.601 17 HA SER 8 HA SER 8 2.673 -3.813 -2.829 18 1HB SER 8 2HB SER 8 2.077 -5.757 -1.613 19 2HB SER 8 1HB SER 8 0.879 -4.913 -0.653 20 HG SER 8 HG SER 8 2.386 -4.560 0.813 21 QB SER 8 QB SER 8 1.478 -5.335 -1.133 22 H LEU 9 H LEU 9 1.163 -5.020 -4.225 23 HA LEU 9 HA LEU 9 -0.806 -3.611 -5.348 24 1HB LEU 9 1HB LEU 9 -1.229 -6.551 -5.058 25 2HB LEU 9 2HB LEU 9 -1.427 -5.522 -6.462 26 HG LEU 9 HG LEU 9 1.120 -6.647 -5.304 27 1HD1 LEU 9 1HD1 LEU 9 -0.614 -7.384 -7.428 28 2HD1 LEU 9 2HD1 LEU 9 0.908 -6.809 -8.151 29 3HD1 LEU 9 3HD1 LEU 9 0.934 -8.121 -6.948 30 1HD2 LEU 9 1HD2 LEU 9 0.919 -4.038 -6.257 31 2HD2 LEU 9 2HD2 LEU 9 2.403 -5.004 -6.078 32 3HD2 LEU 9 3HD2 LEU 9 1.546 -4.969 -7.638 33 MD1 LEU 9 MD1 LEU 9 0.409 -7.438 -7.509 34 MD2 LEU 9 MD2 LEU 9 1.622 -4.670 -6.657 35 QB LEU 9 QB LEU 9 -1.328 -6.037 -5.760 36 QD LEU 9 QD LEU 9 1.016 -6.054 -7.083 37 H THR 10 H THR 10 -1.123 -5.727 -2.447 38 HA THR 10 HA THR 10 -3.860 -5.652 -2.161 39 HB THR 10 HB THR 10 -1.546 -5.722 -0.164 40 HG1 THR 10 HG1 THR 10 -1.637 -7.736 -1.085 41 1HG2 THR 10 1HG2 THR 10 -3.779 -5.011 0.912 42 2HG2 THR 10 2HG2 THR 10 -4.450 -6.550 0.321 43 3HG2 THR 10 3HG2 THR 10 -3.114 -6.555 1.497 44 MG THR 10 MG THR 10 -3.781 -6.039 0.910 45 H GLN 11 H GLN 11 -1.443 -3.283 -0.865 46 HA GLN 11 HA GLN 11 -3.512 -1.647 0.138 47 1HB GLN 11 1HB GLN 11 -0.602 -1.742 0.201 48 2HB GLN 11 2HB GLN 11 -1.135 -0.108 -0.139 49 1HG GLN 11 1HG GLN 11 -2.809 -0.434 1.838 50 2HG GLN 11 2HG GLN 11 -1.855 -1.844 2.254 51 2HE2 GLN 11 1HE2 GLN 11 -0.242 -1.569 3.586 52 1HE2 GLN 11 2HE2 GLN 11 0.606 -0.096 3.921 53 QB GLN 11 QB GLN 11 -0.868 -0.925 0.031 54 QG GLN 11 QG GLN 11 -2.332 -1.139 2.046 55 QE GLN 11 QE GLN 11 0.182 -0.832 3.754 56 H LEU 12 H LEU 12 -1.628 -1.851 -2.884 57 HA LEU 12 HA LEU 12 -2.019 0.641 -3.928 58 1HB LEU 12 1HB LEU 12 -0.948 -1.704 -4.774 59 2HB LEU 12 2HB LEU 12 -2.373 -1.622 -5.791 60 HG LEU 12 HG LEU 12 -0.771 -0.605 -7.103 61 1HD1 LEU 12 1HD1 LEU 12 -2.844 0.913 -6.348 62 2HD1 LEU 12 2HD1 LEU 12 -1.514 1.969 -5.815 63 3HD1 LEU 12 3HD1 LEU 12 -1.616 1.457 -7.516 64 1HD2 LEU 12 1HD2 LEU 12 1.030 -0.598 -5.462 65 2HD2 LEU 12 2HD2 LEU 12 0.941 0.964 -6.311 66 3HD2 LEU 12 3HD2 LEU 12 0.311 0.816 -4.653 67 MD1 LEU 12 MD1 LEU 12 -1.991 1.446 -6.560 68 MD2 LEU 12 MD2 LEU 12 0.760 0.394 -5.475 69 QB LEU 12 QB LEU 12 -1.661 -1.663 -5.282 70 QD LEU 12 QD LEU 12 -0.615 0.920 -6.018 71 H SER 13 H SER 13 -4.299 -2.148 -3.818 72 HA SER 13 HA SER 13 -6.455 -0.306 -4.006 73 1HB SER 13 1HB SER 13 -5.674 -2.028 -6.338 74 2HB SER 13 2HB SER 13 -7.385 -1.918 -5.977 75 HG SER 13 HG SER 13 -7.329 -0.065 -7.039 76 QB SER 13 QB SER 13 -6.530 -1.973 -6.157 77 H SER 14 H SER 14 -6.080 -1.631 -1.801 78 HA SER 14 HA SER 14 -6.575 -3.317 -0.477 79 1HB SER 14 1HB SER 14 -8.921 -2.128 -1.571 80 2HB SER 14 2HB SER 14 -9.262 -3.844 -1.465 81 HG SER 14 HG SER 14 -8.736 -1.967 0.609 82 QB SER 14 QB SER 14 -9.092 -2.986 -1.518 83 H GLY 15 H GLY 15 -5.330 -4.179 -3.030 84 1HA GLY 15 1HA GLY 15 -4.727 -6.201 -3.861 85 2HA GLY 15 2HA GLY 15 -5.916 -6.982 -2.838 86 QA GLY 15 QA GLY 15 -5.321 -6.592 -3.349 87 H ASN 16 H ASN 16 -5.974 -4.574 -5.573 88 HA ASN 16 HA ASN 16 -8.204 -6.106 -6.639 89 1HB ASN 16 1HB ASN 16 -8.472 -3.599 -6.185 90 2HB ASN 16 2HB ASN 16 -7.260 -3.297 -7.415 91 2HD2 ASN 16 1HD2 ASN 16 -10.202 -2.722 -7.143 92 1HD2 ASN 16 2HD2 ASN 16 -10.928 -3.275 -8.615 93 QB ASN 16 QB ASN 16 -7.866 -3.448 -6.800 94 QD ASN 16 QD ASN 16 -10.565 -2.998 -7.879 95 HA PRO 17 HA PRO 17 -5.325 -7.271 -9.778 96 1HB PRO 17 1HB PRO 17 -7.002 -8.793 -11.307 97 2HB PRO 17 2HB PRO 17 -6.177 -9.407 -9.888 98 1HG PRO 17 1HG PRO 17 -9.021 -8.664 -10.201 99 2HG PRO 17 2HG PRO 17 -8.275 -9.657 -8.964 100 1HD PRO 17 1HD PRO 17 -9.136 -6.934 -8.691 101 2HD PRO 17 2HD PRO 17 -8.286 -7.890 -7.493 102 QB PRO 17 QB PRO 17 -6.589 -9.100 -10.597 103 QG PRO 17 QG PRO 17 -8.648 -9.161 -9.582 104 QD PRO 17 QD PRO 17 -8.711 -7.412 -8.092 105 H VAL 18 H VAL 18 -7.651 -5.032 -9.979 106 HA VAL 18 HA VAL 18 -8.178 -4.657 -12.616 107 HB VAL 18 HB VAL 18 -9.146 -3.329 -10.869 108 1HG1 VAL 18 1HG1 VAL 18 -6.844 -3.252 -9.600 109 2HG1 VAL 18 2HG1 VAL 18 -6.635 -1.725 -10.489 110 3HG1 VAL 18 3HG1 VAL 18 -8.027 -1.937 -9.400 111 1HG2 VAL 18 1HG2 VAL 18 -8.083 -2.261 -13.287 112 2HG2 VAL 18 2HG2 VAL 18 -9.529 -1.744 -12.387 113 3HG2 VAL 18 3HG2 VAL 18 -7.950 -1.002 -12.035 114 MG1 VAL 18 MG1 VAL 18 -7.169 -2.305 -9.830 115 MG2 VAL 18 MG2 VAL 18 -8.521 -1.669 -12.570 116 QG VAL 18 QG VAL 18 -7.845 -1.987 -11.200 117 H TYR 19 H TYR 19 -5.231 -3.595 -10.793 118 HA TYR 19 HA TYR 19 -4.003 -2.408 -13.028 119 1HB TYR 19 1HB TYR 19 -3.342 -3.442 -10.253 120 2HB TYR 19 2HB TYR 19 -1.973 -3.174 -11.314 121 HD1 TYR 19 HD1 TYR 19 -5.018 -1.084 -11.469 122 HD2 TYR 19 HD2 TYR 19 -1.019 -1.397 -9.982 123 HE1 TYR 19 HE1 TYR 19 -5.038 1.388 -10.874 124 HE2 TYR 19 HE2 TYR 19 -1.052 1.076 -9.393 125 HH TYR 19 HH TYR 19 -2.124 2.983 -9.702 126 QB TYR 19 QB TYR 19 -2.658 -3.308 -10.784 127 QD TYR 19 QD TYR 19 -3.018 -1.240 -10.725 128 QE TYR 19 QE TYR 19 -3.045 1.232 -10.133 129 QR TYR 19 QR TYR 19 -3.031 -0.004 -10.430 130 H GLU 20 H GLU 20 -4.130 -5.746 -11.766 131 HA GLU 20 HA GLU 20 -1.923 -6.742 -13.056 132 1HB GLU 20 1HB GLU 20 -4.268 -7.774 -11.686 133 2HB GLU 20 2HB GLU 20 -3.933 -8.767 -13.090 134 1HG GLU 20 1HG GLU 20 -1.516 -8.016 -11.520 135 2HG GLU 20 2HG GLU 20 -2.660 -9.014 -10.646 136 HE2 GLU 20 HE2 GLU 20 -0.343 -11.067 -12.718 137 QB GLU 20 QB GLU 20 -4.101 -8.270 -12.388 138 QG GLU 20 QG GLU 20 -2.088 -8.515 -11.083 139 H LYS 21 H LYS 21 -5.143 -5.879 -14.277 140 HA LYS 21 HA LYS 21 -5.084 -7.370 -16.638 141 1HB LYS 21 2HB LYS 21 -6.895 -5.770 -15.363 142 2HB LYS 21 1HB LYS 21 -7.089 -6.430 -16.974 143 1HG LYS 21 1HG LYS 21 -5.907 -3.695 -16.296 144 2HG LYS 21 2HG LYS 21 -5.991 -4.358 -17.916 145 1HD LYS 21 1HD LYS 21 -8.605 -4.550 -16.629 146 2HD LYS 21 2HD LYS 21 -8.015 -2.902 -16.537 147 1HE LYS 21 1HE LYS 21 -8.454 -2.569 -18.738 148 2HE LYS 21 2HE LYS 21 -7.443 -3.928 -19.187 149 QB LYS 21 QB LYS 21 -6.992 -6.100 -16.168 150 QD LYS 21 QD LYS 21 -8.310 -3.726 -16.583 151 QG LYS 21 QG LYS 21 -5.949 -4.027 -17.106 152 QE LYS 21 QE LYS 21 -7.949 -3.248 -18.962 153 QZ LYS 21 QZ LYS 21 -10.021 -4.211 -19.096 154 H TYR 22 H TYR 22 -3.808 -4.115 -15.775 155 HA TYR 22 HA TYR 22 -2.940 -3.608 -18.457 156 1HB TYR 22 1HB TYR 22 -2.178 -2.396 -15.727 157 2HB TYR 22 2HB TYR 22 -1.949 -1.610 -17.276 158 HD1 TYR 22 HD1 TYR 22 -4.607 -2.245 -18.559 159 HD2 TYR 22 HD2 TYR 22 -3.628 -0.905 -14.616 160 HE1 TYR 22 HE1 TYR 22 -6.901 -1.170 -18.348 161 HE2 TYR 22 HE2 TYR 22 -5.925 0.166 -14.418 162 HH TYR 22 HH TYR 22 -7.768 0.935 -16.830 163 QB TYR 22 QB TYR 22 -2.064 -2.003 -16.501 164 QD TYR 22 QD TYR 22 -4.117 -1.575 -16.588 165 QE TYR 22 QE TYR 22 -6.413 -0.502 -16.383 166 QR TYR 22 QR TYR 22 -5.265 -1.039 -16.485 167 H TYR 23 H TYR 23 -1.407 -4.613 -15.338 168 HA TYR 23 HA TYR 23 1.225 -4.493 -16.120 169 1HB TYR 23 1HB TYR 23 0.499 -4.973 -13.821 170 2HB TYR 23 2HB TYR 23 -0.471 -6.336 -14.346 171 HD1 TYR 23 HD1 TYR 23 3.127 -5.251 -14.510 172 HD2 TYR 23 HD2 TYR 23 0.353 -8.441 -13.849 173 HE1 TYR 23 HE1 TYR 23 5.053 -6.829 -13.993 174 HE2 TYR 23 HE2 TYR 23 2.288 -10.007 -13.335 175 HH TYR 23 HH TYR 23 4.854 -9.445 -12.381 176 QB TYR 23 QB TYR 23 0.014 -5.654 -14.083 177 QD TYR 23 QD TYR 23 1.740 -6.846 -14.179 178 QE TYR 23 QE TYR 23 3.670 -8.418 -13.664 179 QR TYR 23 QR TYR 23 2.705 -7.632 -13.922 180 H ARG 24 H ARG 24 -1.311 -6.734 -17.116 181 HA ARG 24 HA ARG 24 0.690 -8.533 -18.166 182 1HB ARG 24 1HB ARG 24 -1.424 -9.330 -16.913 183 2HB ARG 24 2HB ARG 24 -2.349 -8.819 -18.311 184 1HG ARG 24 1HG ARG 24 -1.843 -10.745 -19.392 185 2HG ARG 24 2HG ARG 24 -0.130 -10.398 -19.263 186 1HD ARG 24 2HD ARG 24 -0.300 -11.292 -16.822 187 2HD ARG 24 1HD ARG 24 -0.363 -12.468 -18.119 188 HE ARG 24 HE ARG 24 -3.034 -11.617 -17.578 189 1HH1 ARG 24 1HH1 ARG 24 -0.443 -13.466 -16.023 190 2HH1 ARG 24 2HH1 ARG 24 -1.529 -14.438 -15.087 191 2HH2 ARG 24 HH2 ARG 24 -3.891 -14.087 -15.291 192 QB ARG 24 QB ARG 24 -1.886 -9.075 -17.612 193 QG ARG 24 QG ARG 24 -0.986 -10.572 -19.328 194 QD ARG 24 QD ARG 24 -0.332 -11.880 -17.470 195 QH1 ARG 24 QH1 ARG 24 -0.986 -13.952 -15.555 196 H GLN 25 H GLN 25 -1.364 -5.878 -19.070 197 HA GLN 25 HA GLN 25 -1.895 -6.579 -21.705 198 1HB GLN 25 1HB GLN 25 -1.896 -4.051 -20.089 199 2HB GLN 25 2HB GLN 25 -1.896 -3.873 -21.833 200 1HG GLN 25 1HG GLN 25 -3.796 -5.936 -21.195 201 2HG GLN 25 2HG GLN 25 -4.095 -4.604 -20.096 202 2HE2 GLN 25 1HE2 GLN 25 -3.813 -2.370 -21.257 203 1HE2 GLN 25 2HE2 GLN 25 -4.708 -2.181 -22.728 204 QB GLN 25 QB GLN 25 -1.896 -3.962 -20.961 205 QG GLN 25 QG GLN 25 -3.945 -5.270 -20.646 206 QE GLN 25 QE GLN 25 -4.260 -2.276 -21.992 207 H VAL 26 H VAL 26 0.975 -5.297 -20.075 208 HA VAL 26 HA VAL 26 2.212 -4.525 -22.571 209 HB VAL 26 HB VAL 26 3.914 -3.630 -21.259 210 1HG1 VAL 26 1HG1 VAL 26 1.298 -3.431 -19.739 211 2HG1 VAL 26 2HG1 VAL 26 2.726 -2.433 -19.374 212 3HG1 VAL 26 3HG1 VAL 26 1.942 -2.315 -20.968 213 1HG2 VAL 26 1HG2 VAL 26 2.992 -5.431 -18.995 214 2HG2 VAL 26 2HG2 VAL 26 4.498 -5.571 -19.934 215 3HG2 VAL 26 3HG2 VAL 26 4.249 -4.179 -18.853 216 MG1 VAL 26 MG1 VAL 26 1.989 -2.726 -20.027 217 MG2 VAL 26 MG2 VAL 26 3.913 -5.060 -19.261 218 QG VAL 26 QG VAL 26 2.951 -3.893 -19.644 219 H GLU 27 H GLU 27 2.556 -7.054 -20.005 220 HA GLU 27 HA GLU 27 4.733 -8.333 -20.763 221 1HB GLU 27 1HB GLU 27 3.249 -9.064 -18.926 222 2HB GLU 27 2HB GLU 27 2.061 -9.635 -20.080 223 1HG GLU 27 1HG GLU 27 4.742 -10.747 -20.609 224 2HG GLU 27 2HG GLU 27 4.175 -11.136 -18.997 225 HE2 GLU 27 HE2 GLU 27 4.231 -13.254 -20.854 226 QB GLU 27 QB GLU 27 2.655 -9.350 -19.503 227 QG GLU 27 QG GLU 27 4.459 -10.941 -19.803 228 H ALA 28 H ALA 28 5.374 -9.974 -22.284 229 HA ALA 28 HA ALA 28 3.639 -10.047 -24.656 230 1HB ALA 28 2HB ALA 28 5.792 -10.453 -25.886 231 2HB ALA 28 3HB ALA 28 5.723 -8.871 -25.074 232 3HB ALA 28 1HB ALA 28 6.665 -10.199 -24.356 233 MB ALA 28 MB ALA 28 6.060 -9.841 -25.105 234 H GLY 29 H GLY 29 2.703 -11.978 -25.085 235 1HA GLY 29 1HA GLY 29 2.771 -14.267 -25.479 236 2HA GLY 29 2HA GLY 29 4.165 -14.427 -24.430 237 QA GLY 29 QA GLY 29 3.468 -14.347 -24.955 238 H ASN 30 H ASN 30 2.719 -16.307 -23.640 239 HA ASN 30 HA ASN 30 0.898 -15.245 -21.624 240 1HB ASN 30 1HB ASN 30 0.763 -17.659 -23.429 241 2HB ASN 30 2HB ASN 30 0.119 -17.851 -21.811 242 2HD2 ASN 30 1HD2 ASN 30 -1.915 -17.370 -21.530 243 1HD2 ASN 30 2HD2 ASN 30 -2.884 -16.294 -22.479 244 QB ASN 30 QB ASN 30 0.441 -17.755 -22.620 245 QD ASN 30 QD ASN 30 -2.399 -16.832 -22.004 246 H THR 31 H THR 31 3.564 -15.260 -20.941 247 HA THR 31 HA THR 31 4.102 -17.831 -19.639 248 HB THR 31 HB THR 31 6.411 -16.829 -19.423 249 HG1 THR 31 HG1 THR 31 6.074 -14.605 -19.451 250 1HG2 THR 31 1HG2 THR 31 5.090 -17.533 -21.896 251 2HG2 THR 31 2HG2 THR 31 6.135 -16.127 -22.212 252 3HG2 THR 31 3HG2 THR 31 6.829 -17.615 -21.525 253 MG THR 31 MG THR 31 6.018 -17.092 -21.878 254 H GLY 32 H GLY 32 3.656 -14.323 -18.982 255 1HA GLY 32 1HA GLY 32 2.497 -13.651 -17.033 256 2HA GLY 32 2HA GLY 32 3.106 -15.057 -16.183 257 QA GLY 32 QA GLY 32 2.801 -14.354 -16.608 258 H ARG 33 H ARG 33 5.225 -13.181 -18.339 259 HA ARG 33 HA ARG 33 6.395 -11.953 -15.982 260 1HB ARG 33 1HB ARG 33 7.885 -13.399 -18.228 261 2HB ARG 33 2HB ARG 33 8.682 -12.396 -17.032 262 1HG ARG 33 1HG ARG 33 6.873 -14.349 -15.774 263 2HG ARG 33 2HG ARG 33 8.070 -15.137 -16.782 264 1HD ARG 33 2HD ARG 33 9.458 -13.086 -15.338 265 2HD ARG 33 1HD ARG 33 9.633 -14.821 -15.167 266 HE ARG 33 HE ARG 33 7.261 -13.962 -13.782 267 1HH1 ARG 33 1HH1 ARG 33 10.792 -13.865 -13.499 268 2HH1 ARG 33 2HH1 ARG 33 10.774 -13.761 -11.771 269 2HH2 ARG 33 HH2 ARG 33 8.674 -13.739 -10.617 270 QB ARG 33 QB ARG 33 8.284 -12.898 -17.630 271 QG ARG 33 QG ARG 33 7.472 -14.743 -16.278 272 QD ARG 33 QD ARG 33 9.546 -13.953 -15.253 273 QH1 ARG 33 QH1 ARG 33 10.783 -13.813 -12.635 274 H VAL 34 H VAL 34 6.827 -9.764 -16.271 275 HA VAL 34 HA VAL 34 6.257 -8.678 -18.898 276 HB VAL 34 HB VAL 34 6.858 -7.262 -16.297 277 1HG1 VAL 34 1HG1 VAL 34 6.146 -6.399 -19.020 278 2HG1 VAL 34 2HG1 VAL 34 5.126 -5.691 -17.744 279 3HG1 VAL 34 3HG1 VAL 34 6.894 -5.491 -17.684 280 1HG2 VAL 34 1HG2 VAL 34 4.326 -8.498 -17.341 281 2HG2 VAL 34 2HG2 VAL 34 4.983 -8.472 -15.687 282 3HG2 VAL 34 3HG2 VAL 34 4.243 -7.006 -16.374 283 MG1 VAL 34 MG1 VAL 34 6.055 -5.860 -18.149 284 MG2 VAL 34 MG2 VAL 34 4.517 -7.992 -16.468 285 QG VAL 34 QG VAL 34 5.286 -6.926 -17.308 286 H LEU 35 H LEU 35 7.880 -8.514 -20.351 287 HA LEU 35 HA LEU 35 10.569 -8.789 -19.653 288 1HB LEU 35 1HB LEU 35 8.965 -8.451 -22.023 289 2HB LEU 35 2HB LEU 35 10.401 -7.452 -22.124 290 HG LEU 35 HG LEU 35 10.485 -10.406 -21.468 291 1HD1 LEU 35 1HD1 LEU 35 9.883 -9.151 -23.980 292 2HD1 LEU 35 2HD1 LEU 35 11.465 -9.961 -24.080 293 3HD1 LEU 35 3HD1 LEU 35 10.024 -10.880 -23.583 294 1HD2 LEU 35 1HD2 LEU 35 12.427 -8.404 -21.258 295 2HD2 LEU 35 2HD2 LEU 35 12.679 -10.165 -21.218 296 3HD2 LEU 35 3HD2 LEU 35 12.823 -9.281 -22.756 297 MD1 LEU 35 MD1 LEU 35 10.458 -9.997 -23.881 298 MD2 LEU 35 MD2 LEU 35 12.643 -9.283 -21.744 299 QB LEU 35 QB LEU 35 9.683 -7.952 -22.074 300 QD LEU 35 QD LEU 35 11.550 -9.640 -22.813 301 H ALA 36 H ALA 36 8.412 -6.178 -19.192 302 HA ALA 36 HA ALA 36 8.850 -4.233 -18.155 303 1HB ALA 36 2HB ALA 36 11.765 -4.239 -18.878 304 2HB ALA 36 1HB ALA 36 11.190 -5.417 -17.675 305 3HB ALA 36 3HB ALA 36 10.961 -3.675 -17.393 306 MB ALA 36 MB ALA 36 11.305 -4.444 -17.982 307 H LEU 37 H LEU 37 10.911 -4.776 -21.098 308 HA LEU 37 HA LEU 37 10.908 -2.259 -22.102 309 1HB LEU 37 1HB LEU 37 10.970 -4.987 -23.297 310 2HB LEU 37 2HB LEU 37 10.761 -3.624 -24.378 311 HG LEU 37 HG LEU 37 13.133 -4.484 -23.994 312 1HD1 LEU 37 1HD1 LEU 37 12.516 -2.306 -25.055 313 2HD1 LEU 37 2HD1 LEU 37 12.696 -1.536 -23.460 314 3HD1 LEU 37 3HD1 LEU 37 14.098 -2.307 -24.238 315 1HD2 LEU 37 1HD2 LEU 37 13.014 -4.755 -21.570 316 2HD2 LEU 37 2HD2 LEU 37 14.321 -3.636 -22.029 317 3HD2 LEU 37 3HD2 LEU 37 12.793 -2.999 -21.373 318 MD1 LEU 37 MD1 LEU 37 13.103 -2.050 -24.251 319 MD2 LEU 37 MD2 LEU 37 13.376 -3.797 -21.657 320 QB LEU 37 QB LEU 37 10.865 -4.306 -23.837 321 QD LEU 37 QD LEU 37 13.240 -2.923 -22.954 322 H ASP 38 H ASP 38 8.289 -4.726 -22.321 323 HA ASP 38 HA ASP 38 6.692 -3.159 -23.994 324 1HB ASP 38 1HB ASP 38 6.492 -5.676 -22.474 325 2HB ASP 38 2HB ASP 38 4.971 -4.805 -22.480 326 HD2 ASP 38 HD2 ASP 38 3.742 -5.685 -24.192 327 QB ASP 38 QB ASP 38 5.731 -5.241 -22.477 328 H ALA 39 H ALA 39 7.178 -3.472 -20.462 329 HA ALA 39 HA ALA 39 4.867 -2.297 -19.523 330 1HB ALA 39 3HB ALA 39 6.082 -2.002 -17.493 331 2HB ALA 39 2HB ALA 39 7.637 -1.886 -18.351 332 3HB ALA 39 1HB ALA 39 6.782 -3.445 -18.264 333 MB ALA 39 MB ALA 39 6.834 -2.444 -18.036 334 H ALA 40 H ALA 40 8.034 -0.734 -20.384 335 HA ALA 40 HA ALA 40 7.148 1.872 -19.897 336 1HB ALA 40 2HB ALA 40 9.201 1.376 -22.006 337 2HB ALA 40 3HB ALA 40 9.256 2.446 -20.585 338 3HB ALA 40 1HB ALA 40 9.532 0.698 -20.394 339 MB ALA 40 MB ALA 40 9.330 1.507 -20.995 340 H ALA 41 H ALA 41 6.595 -0.392 -22.532 341 HA ALA 41 HA ALA 41 6.093 1.416 -24.590 342 1HB ALA 41 2HB ALA 41 4.496 -1.112 -24.321 343 2HB ALA 41 3HB ALA 41 5.350 -0.449 -25.735 344 3HB ALA 41 1HB ALA 41 6.268 -1.241 -24.432 345 MB ALA 41 MB ALA 41 5.371 -0.934 -24.829 346 H PHE 42 H PHE 42 3.739 -0.245 -22.364 347 HA PHE 42 HA PHE 42 1.562 1.283 -23.223 348 1HB PHE 42 1HB PHE 42 1.234 -0.826 -22.057 349 2HB PHE 42 2HB PHE 42 2.334 -0.373 -20.770 350 HD1 PHE 42 HD1 PHE 42 -0.879 0.812 -22.268 351 HD2 PHE 42 HD2 PHE 42 1.409 0.214 -18.746 352 HE1 PHE 42 HE1 PHE 42 -2.823 1.576 -20.876 353 HE2 PHE 42 HE2 PHE 42 -0.534 0.978 -17.353 354 HZ PHE 42 HZ PHE 42 -2.627 1.650 -18.435 355 QB PHE 42 QB PHE 42 1.784 -0.600 -21.414 356 QD PHE 42 QD PHE 42 0.265 0.513 -20.507 357 QE PHE 42 QE PHE 42 -1.679 1.277 -19.115 358 QR PHE 42 QR PHE 42 -0.707 0.895 -19.811 359 H LEU 43 H LEU 43 3.937 1.695 -20.546 360 HA LEU 43 HA LEU 43 2.694 3.661 -19.116 361 1HB LEU 43 1HB LEU 43 5.601 3.161 -19.730 362 2HB LEU 43 2HB LEU 43 5.078 4.422 -18.631 363 HG LEU 43 HG LEU 43 4.415 1.485 -18.290 364 1HD1 LEU 43 1HD1 LEU 43 6.913 2.664 -17.985 365 2HD1 LEU 43 2HD1 LEU 43 6.247 2.623 -16.335 366 3HD1 LEU 43 3HD1 LEU 43 6.366 1.122 -17.284 367 1HD2 LEU 43 1HD2 LEU 43 3.701 3.959 -16.811 368 2HD2 LEU 43 2HD2 LEU 43 2.812 2.428 -17.001 369 3HD2 LEU 43 3HD2 LEU 43 4.152 2.540 -15.834 370 MD1 LEU 43 MD1 LEU 43 6.509 2.136 -17.202 371 MD2 LEU 43 MD2 LEU 43 3.555 2.976 -16.549 372 QB LEU 43 QB LEU 43 5.340 3.792 -19.180 373 QD LEU 43 QD LEU 43 5.032 2.556 -16.875 374 H LYS 44 H LYS 44 4.732 3.999 -22.088 375 HA LYS 44 HA LYS 44 4.834 6.705 -22.263 376 1HB LYS 44 1HB LYS 44 4.838 4.459 -24.217 377 2HB LYS 44 2HB LYS 44 4.570 6.063 -24.869 378 1HG LYS 44 1HG LYS 44 6.647 6.613 -23.179 379 2HG LYS 44 2HG LYS 44 7.006 4.935 -23.533 380 1HD LYS 44 1HD LYS 44 6.261 6.390 -25.973 381 2HD LYS 44 2HD LYS 44 7.601 7.172 -25.158 382 1HE LYS 44 1HE LYS 44 8.891 5.076 -25.145 383 2HE LYS 44 2HE LYS 44 7.525 4.183 -25.782 384 QB LYS 44 QB LYS 44 4.704 5.261 -24.543 385 QD LYS 44 QD LYS 44 6.931 6.781 -25.566 386 QG LYS 44 QG LYS 44 6.826 5.774 -23.356 387 QE LYS 44 QE LYS 44 8.208 4.629 -25.464 388 QZ LYS 44 QZ LYS 44 8.592 6.019 -27.408 389 H LYS 45 H LYS 45 2.024 4.612 -22.515 390 HA LYS 45 HA LYS 45 0.431 6.614 -23.830 391 1HB LYS 45 2HB LYS 45 -1.313 5.003 -23.780 392 2HB LYS 45 1HB LYS 45 -0.554 4.089 -22.492 393 1HG LYS 45 1HG LYS 45 1.334 4.319 -24.676 394 2HG LYS 45 2HG LYS 45 0.632 2.868 -23.989 395 1HD LYS 45 1HD LYS 45 -1.142 4.496 -25.786 396 2HD LYS 45 2HD LYS 45 0.186 3.648 -26.554 397 1HE LYS 45 1HE LYS 45 -0.603 1.533 -25.301 398 2HE LYS 45 2HE LYS 45 -2.041 2.432 -24.860 399 QB LYS 45 QB LYS 45 -0.933 4.546 -23.136 400 QD LYS 45 QD LYS 45 -0.478 4.072 -26.170 401 QG LYS 45 QG LYS 45 0.983 3.593 -24.332 402 QE LYS 45 QE LYS 45 -1.322 1.982 -25.081 403 QZ LYS 45 QZ LYS 45 -2.274 1.631 -27.070 404 H SER 46 H SER 46 1.854 7.284 -21.274 405 HA SER 46 HA SER 46 -0.364 7.503 -19.444 406 1HB SER 46 2HB SER 46 1.845 6.826 -18.564 407 2HB SER 46 1HB SER 46 1.318 8.335 -17.844 408 HG SER 46 HG SER 46 3.437 7.840 -19.676 409 QB SER 46 QB SER 46 1.581 7.581 -18.204 410 H GLY 47 H GLY 47 2.274 9.881 -20.157 411 1HA GLY 47 1HA GLY 47 0.914 11.756 -21.615 412 2HA GLY 47 2HA GLY 47 0.453 12.083 -19.956 413 QA GLY 47 QA GLY 47 0.683 11.919 -20.786 414 H LEU 48 H LEU 48 3.076 11.013 -18.873 415 HA LEU 48 HA LEU 48 4.482 13.478 -19.006 416 1HB LEU 48 1HB LEU 48 4.859 10.845 -17.633 417 2HB LEU 48 2HB LEU 48 6.184 11.991 -17.684 418 HG LEU 48 HG LEU 48 3.457 12.798 -16.676 419 1HD1 LEU 48 1HD1 LEU 48 5.681 11.499 -15.081 420 2HD1 LEU 48 2HD1 LEU 48 4.267 12.324 -14.383 421 3HD1 LEU 48 3HD1 LEU 48 4.046 10.858 -15.368 422 1HD2 LEU 48 1HD2 LEU 48 6.254 13.886 -16.283 423 2HD2 LEU 48 2HD2 LEU 48 4.899 14.646 -17.152 424 3HD2 LEU 48 3HD2 LEU 48 4.823 14.446 -15.385 425 MD1 LEU 48 MD1 LEU 48 4.664 11.561 -14.944 426 MD2 LEU 48 MD2 LEU 48 5.325 14.326 -16.274 427 QB LEU 48 QB LEU 48 5.522 11.418 -17.659 428 QD LEU 48 QD LEU 48 4.995 12.943 -15.609 429 HA PRO 49 HA PRO 49 7.284 12.604 -22.167 430 1HB PRO 49 1HB PRO 49 9.565 13.876 -21.364 431 2HB PRO 49 2HB PRO 49 8.201 14.714 -22.077 432 1HG PRO 49 2HG PRO 49 7.983 15.772 -20.039 433 2HG PRO 49 1HG PRO 49 9.054 14.633 -19.247 434 1HD PRO 49 1HD PRO 49 7.218 13.607 -18.320 435 2HD PRO 49 2HD PRO 49 6.144 14.674 -19.204 436 QB PRO 49 QB PRO 49 8.883 14.295 -21.720 437 QG PRO 49 QG PRO 49 8.519 15.203 -19.643 438 QD PRO 49 QD PRO 49 6.681 14.141 -18.762 439 H ASP 50 H ASP 50 9.795 11.982 -22.604 440 HA ASP 50 HA ASP 50 9.873 9.401 -21.408 441 1HB ASP 50 2HB ASP 50 11.841 9.062 -22.890 442 2HB ASP 50 1HB ASP 50 11.885 10.776 -23.250 443 HD2 ASP 50 HD2 ASP 50 11.335 10.458 -25.606 444 QB ASP 50 QB ASP 50 11.863 9.919 -23.070 445 H LEU 51 H LEU 51 11.545 12.560 -21.202 446 HA LEU 51 HA LEU 51 13.834 11.744 -19.843 447 1HB LEU 51 1HB LEU 51 14.191 13.844 -20.447 448 2HB LEU 51 2HB LEU 51 12.480 14.207 -20.547 449 HG LEU 51 HG LEU 51 12.375 14.735 -18.195 450 1HD1 LEU 51 1HD1 LEU 51 14.847 13.208 -18.080 451 2HD1 LEU 51 2HD1 LEU 51 14.989 14.772 -17.242 452 3HD1 LEU 51 3HD1 LEU 51 13.699 13.633 -16.788 453 1HD2 LEU 51 1HD2 LEU 51 13.771 16.205 -20.097 454 2HD2 LEU 51 2HD2 LEU 51 13.126 16.800 -18.548 455 3HD2 LEU 51 3HD2 LEU 51 14.816 16.252 -18.656 456 MD1 LEU 51 MD1 LEU 51 14.512 13.871 -17.370 457 MD2 LEU 51 MD2 LEU 51 13.904 16.419 -19.100 458 QB LEU 51 QB LEU 51 13.335 14.026 -20.497 459 QD LEU 51 QD LEU 51 14.208 15.145 -18.235 460 H ILE 52 H ILE 52 10.911 13.373 -18.417 461 HA ILE 52 HA ILE 52 11.560 12.872 -15.799 462 HB ILE 52 HB ILE 52 8.855 13.117 -17.118 463 1HG1 ILE 52 1HG1 ILE 52 10.601 14.987 -17.361 464 2HG1 ILE 52 2HG1 ILE 52 8.998 15.417 -16.797 465 1HG2 ILE 52 1HG2 ILE 52 9.589 12.570 -14.350 466 2HG2 ILE 52 2HG2 ILE 52 8.639 14.065 -14.523 467 3HG2 ILE 52 3HG2 ILE 52 7.999 12.527 -15.149 468 1HD1 ILE 52 1HD1 ILE 52 10.731 14.662 -14.554 469 2HD1 ILE 52 2HD1 ILE 52 11.429 15.993 -15.507 470 3HD1 ILE 52 3HD1 ILE 52 9.800 16.158 -14.808 471 MG ILE 52 MG ILE 52 8.742 13.054 -14.674 472 MD ILE 52 MD ILE 52 10.653 15.604 -14.956 473 QG ILE 52 QG ILE 52 9.800 15.202 -17.079 474 H LEU 53 H LEU 53 9.980 10.761 -18.225 475 HA LEU 53 HA LEU 53 9.137 8.787 -16.439 476 1HB LEU 53 1HB LEU 53 9.525 9.087 -19.346 477 2HB LEU 53 2HB LEU 53 9.619 7.440 -18.755 478 HG LEU 53 HG LEU 53 7.294 9.326 -18.277 479 1HD1 LEU 53 1HD1 LEU 53 7.834 8.384 -20.679 480 2HD1 LEU 53 2HD1 LEU 53 7.102 6.902 -20.019 481 3HD1 LEU 53 3HD1 LEU 53 6.168 8.417 -20.052 482 1HD2 LEU 53 1HD2 LEU 53 8.051 6.847 -17.023 483 2HD2 LEU 53 2HD2 LEU 53 6.672 7.919 -16.681 484 3HD2 LEU 53 3HD2 LEU 53 6.523 6.643 -17.913 485 MD1 LEU 53 MD1 LEU 53 7.035 7.901 -20.250 486 MD2 LEU 53 MD2 LEU 53 7.082 7.136 -17.206 487 QB LEU 53 QB LEU 53 9.572 8.263 -19.051 488 QD LEU 53 QD LEU 53 7.058 7.519 -18.728 489 H GLY 54 H GLY 54 12.176 9.100 -18.398 490 1HA GLY 54 1HA GLY 54 13.489 6.831 -17.829 491 2HA GLY 54 2HA GLY 54 14.270 8.399 -17.883 492 QA GLY 54 QA GLY 54 13.879 7.615 -17.856 493 H LYS 55 H LYS 55 13.106 9.657 -15.592 494 HA LYS 55 HA LYS 55 14.766 8.642 -13.587 495 1HB LYS 55 1HB LYS 55 12.531 10.674 -13.622 496 2HB LYS 55 2HB LYS 55 13.381 10.266 -12.145 497 1HG LYS 55 1HG LYS 55 15.207 10.769 -14.422 498 2HG LYS 55 2HG LYS 55 14.207 12.155 -14.031 499 1HD LYS 55 1HD LYS 55 15.961 12.525 -12.551 500 2HD LYS 55 2HD LYS 55 14.915 11.568 -11.520 501 1HE LYS 55 1HE LYS 55 16.634 9.845 -13.167 502 2HE LYS 55 2HE LYS 55 17.590 10.978 -12.231 503 QB LYS 55 QB LYS 55 12.956 10.470 -12.883 504 QD LYS 55 QD LYS 55 15.438 12.046 -12.036 505 QG LYS 55 QG LYS 55 14.707 11.462 -14.227 506 QE LYS 55 QE LYS 55 17.112 10.412 -12.699 507 QZ LYS 55 QZ LYS 55 16.110 9.141 -11.017 508 H ILE 56 H ILE 56 11.218 8.336 -14.194 509 HA ILE 56 HA ILE 56 10.571 7.008 -11.863 510 HB ILE 56 HB ILE 56 9.424 6.986 -14.642 511 1HG1 ILE 56 1HG1 ILE 56 8.649 8.288 -12.022 512 2HG1 ILE 56 2HG1 ILE 56 9.166 9.075 -13.500 513 1HG2 ILE 56 1HG2 ILE 56 8.942 5.043 -12.570 514 2HG2 ILE 56 2HG2 ILE 56 7.475 6.010 -12.859 515 3HG2 ILE 56 3HG2 ILE 56 8.256 5.151 -14.209 516 1HD1 ILE 56 1HD1 ILE 56 6.953 7.396 -14.201 517 2HD1 ILE 56 2HD1 ILE 56 6.499 8.284 -12.727 518 3HD1 ILE 56 3HD1 ILE 56 7.012 9.175 -14.180 519 MG ILE 56 MG ILE 56 8.224 5.401 -13.213 520 MD ILE 56 MD ILE 56 6.821 8.285 -13.703 521 QG ILE 56 QG ILE 56 8.907 8.682 -12.761 522 H TRP 57 H TRP 57 11.425 5.579 -15.097 523 HA TRP 57 HA TRP 57 11.403 2.944 -14.277 524 1HB TRP 57 1HB TRP 57 11.532 3.879 -16.618 525 2HB TRP 57 2HB TRP 57 13.246 4.131 -16.353 526 HD1 TRP 57 HD1 TRP 57 14.805 1.888 -16.254 527 HE1 TRP 57 HE1 TRP 57 14.508 -0.605 -17.065 528 HE3 TRP 57 HE3 TRP 57 9.759 2.125 -16.835 529 HZ2 TRP 57 HZ2 TRP 57 12.246 -2.164 -17.840 530 HZ3 TRP 57 HZ3 TRP 57 8.583 0.073 -17.623 531 HH2 TRP 57 HH2 TRP 57 9.744 -2.019 -18.120 532 QB TRP 57 QB TRP 57 12.389 4.005 -16.486 533 H ASP 58 H ASP 58 14.168 5.303 -14.464 534 HA ASP 58 HA ASP 58 16.163 3.765 -13.617 535 1HB ASP 58 1HB ASP 58 15.955 6.376 -14.071 536 2HB ASP 58 2HB ASP 58 15.782 6.483 -12.330 537 HD2 ASP 58 HD2 ASP 58 19.193 6.451 -14.008 538 QB ASP 58 QB ASP 58 15.868 6.430 -13.200 539 H LEU 59 H LEU 59 13.571 5.320 -11.638 540 HA LEU 59 HA LEU 59 14.694 4.365 -9.171 541 1HB LEU 59 1HB LEU 59 13.621 6.491 -9.175 542 2HB LEU 59 2HB LEU 59 12.166 5.836 -9.900 543 HG LEU 59 HG LEU 59 12.132 6.392 -7.399 544 1HD1 LEU 59 1HD1 LEU 59 11.019 4.089 -8.840 545 2HD1 LEU 59 2HD1 LEU 59 11.024 3.905 -7.069 546 3HD1 LEU 59 3HD1 LEU 59 10.221 5.307 -7.816 547 1HD2 LEU 59 1HD2 LEU 59 13.919 3.971 -7.396 548 2HD2 LEU 59 2HD2 LEU 59 14.092 5.509 -6.518 549 3HD2 LEU 59 3HD2 LEU 59 12.857 4.330 -6.014 550 MD1 LEU 59 MD1 LEU 59 10.755 4.434 -7.909 551 MD2 LEU 59 MD2 LEU 59 13.622 4.603 -6.642 552 QB LEU 59 QB LEU 59 12.894 6.163 -9.538 553 QD LEU 59 QD LEU 59 12.188 4.518 -7.276 554 H ALA 60 H ALA 60 12.363 3.318 -11.619 555 HA ALA 60 HA ALA 60 10.993 1.465 -9.995 556 1HB ALA 60 2HB ALA 60 11.418 1.274 -12.993 557 2HB ALA 60 1HB ALA 60 10.332 2.483 -12.266 558 3HB ALA 60 3HB ALA 60 10.012 0.747 -12.037 559 MB ALA 60 MB ALA 60 10.587 1.502 -12.432 560 H ASP 61 H ASP 61 13.520 0.948 -12.566 561 HA ASP 61 HA ASP 61 13.953 -1.623 -12.349 562 1HB ASP 61 1HB ASP 61 15.289 0.014 -13.720 563 2HB ASP 61 2HB ASP 61 16.177 0.471 -12.280 564 HD2 ASP 61 HD2 ASP 61 18.379 -1.965 -12.390 565 QB ASP 61 QB ASP 61 15.733 0.243 -13.000 566 H THR 62 H THR 62 14.611 -3.097 -10.751 567 HA THR 62 HA THR 62 16.325 -2.257 -8.604 568 HB THR 62 HB THR 62 13.360 -2.861 -8.173 569 HG1 THR 62 HG1 THR 62 13.582 -0.658 -8.060 570 1HG2 THR 62 1HG2 THR 62 15.296 -3.925 -6.534 571 2HG2 THR 62 2HG2 THR 62 15.172 -2.283 -5.859 572 3HG2 THR 62 3HG2 THR 62 13.731 -3.326 -5.932 573 MG THR 62 MG THR 62 14.733 -3.178 -6.108 574 H ASP 63 H ASP 63 14.105 -4.748 -9.965 575 HA ASP 63 HA ASP 63 14.962 -6.916 -8.674 576 1HB ASP 63 1HB ASP 63 13.237 -7.019 -10.397 577 2HB ASP 63 2HB ASP 63 14.377 -6.555 -11.644 578 HD2 ASP 63 HD2 ASP 63 13.584 -8.853 -12.623 579 QB ASP 63 QB ASP 63 13.807 -6.787 -11.021 580 H GLY 64 H GLY 64 16.501 -5.283 -11.526 581 1HA GLY 64 1HA GLY 64 18.811 -5.102 -11.810 582 2HA GLY 64 2HA GLY 64 19.063 -6.515 -10.805 583 QA GLY 64 QA GLY 64 18.937 -5.809 -11.308 584 H LYS 65 H LYS 65 17.224 -5.680 -13.838 585 HA LYS 65 HA LYS 65 18.729 -7.333 -15.481 586 1HB LYS 65 1HB LYS 65 17.890 -9.209 -14.199 587 2HB LYS 65 2HB LYS 65 16.236 -8.660 -14.380 588 1HG LYS 65 1HG LYS 65 17.017 -8.749 -17.019 589 2HG LYS 65 2HG LYS 65 18.007 -10.034 -16.355 590 1HD LYS 65 1HD LYS 65 15.197 -10.086 -15.395 591 2HD LYS 65 2HD LYS 65 15.348 -10.294 -17.128 592 1HE LYS 65 1HE LYS 65 15.642 -12.504 -16.518 593 2HE LYS 65 2HE LYS 65 17.313 -11.994 -16.377 594 QB LYS 65 QB LYS 65 17.063 -8.934 -14.290 595 QD LYS 65 QD LYS 65 15.272 -10.190 -16.261 596 QG LYS 65 QG LYS 65 17.512 -9.392 -16.687 597 QE LYS 65 QE LYS 65 16.478 -12.249 -16.447 598 QZ LYS 65 QZ LYS 65 15.955 -11.946 -14.091 599 H GLY 66 H GLY 66 15.327 -6.293 -14.774 600 1HA GLY 66 1HA GLY 66 14.933 -4.274 -16.391 601 2HA GLY 66 2HA GLY 66 15.008 -5.550 -17.590 602 QA GLY 66 QA GLY 66 14.971 -4.912 -16.990 603 H VAL 67 H VAL 67 13.707 -7.701 -16.545 604 HA VAL 67 HA VAL 67 11.100 -7.288 -16.969 605 HB VAL 67 HB VAL 67 12.205 -9.167 -14.874 606 1HG1 VAL 67 1HG1 VAL 67 9.610 -8.765 -15.431 607 2HG1 VAL 67 2HG1 VAL 67 9.994 -9.929 -16.723 608 3HG1 VAL 67 3HG1 VAL 67 10.271 -10.366 -15.019 609 1HG2 VAL 67 1HG2 VAL 67 12.770 -8.999 -17.709 610 2HG2 VAL 67 2HG2 VAL 67 13.444 -10.096 -16.480 611 3HG2 VAL 67 3HG2 VAL 67 11.937 -10.524 -17.325 612 MG1 VAL 67 MG1 VAL 67 9.958 -9.687 -15.724 613 MG2 VAL 67 MG2 VAL 67 12.717 -9.873 -17.171 614 QG VAL 67 QG VAL 67 11.338 -9.780 -16.448 615 H LEU 68 H LEU 68 9.194 -6.886 -15.707 616 HA LEU 68 HA LEU 68 9.786 -5.220 -13.379 617 1HB LEU 68 1HB LEU 68 7.432 -5.378 -15.256 618 2HB LEU 68 2HB LEU 68 7.395 -4.470 -13.758 619 HG LEU 68 HG LEU 68 9.070 -3.960 -16.214 620 1HD1 LEU 68 1HD1 LEU 68 6.677 -3.087 -15.923 621 2HD1 LEU 68 2HD1 LEU 68 7.359 -2.003 -14.687 622 3HD1 LEU 68 3HD1 LEU 68 7.941 -1.916 -16.367 623 1HD2 LEU 68 1HD2 LEU 68 9.502 -2.904 -13.418 624 2HD2 LEU 68 2HD2 LEU 68 10.671 -3.691 -14.505 625 3HD2 LEU 68 3HD2 LEU 68 10.079 -2.053 -14.871 626 MD1 LEU 68 MD1 LEU 68 7.326 -2.335 -15.659 627 MD2 LEU 68 MD2 LEU 68 10.084 -2.883 -14.265 628 QB LEU 68 QB LEU 68 7.413 -4.924 -14.507 629 QD LEU 68 QD LEU 68 8.705 -2.609 -14.962 630 H SER 69 H SER 69 7.883 -5.299 -11.674 631 HA SER 69 HA SER 69 7.019 -8.051 -11.372 632 1HB SER 69 1HB SER 69 8.163 -6.522 -9.012 633 2HB SER 69 2HB SER 69 7.829 -8.239 -9.130 634 HG SER 69 HG SER 69 9.700 -7.111 -10.972 635 QB SER 69 QB SER 69 7.996 -7.380 -9.071 636 H LYS 70 H LYS 70 5.654 -7.937 -8.995 637 HA LYS 70 HA LYS 70 3.346 -6.574 -9.630 638 1HB LYS 70 1HB LYS 70 2.892 -6.935 -7.087 639 2HB LYS 70 2HB LYS 70 3.037 -8.315 -8.156 640 1HG LYS 70 1HG LYS 70 5.629 -7.385 -7.030 641 2HG LYS 70 2HG LYS 70 4.493 -7.953 -5.822 642 1HD LYS 70 1HD LYS 70 4.682 -9.684 -8.240 643 2HD LYS 70 2HD LYS 70 6.160 -9.588 -7.304 644 1HE LYS 70 2HE LYS 70 4.465 -9.964 -5.243 645 2HE LYS 70 1HE LYS 70 5.137 -11.310 -6.141 646 QB LYS 70 QB LYS 70 2.965 -7.625 -7.621 647 QD LYS 70 QD LYS 70 5.421 -9.636 -7.772 648 QG LYS 70 QG LYS 70 5.061 -7.669 -6.426 649 QE LYS 70 QE LYS 70 4.801 -10.637 -5.692 650 QZ LYS 70 QZ LYS 70 2.963 -11.252 -7.042 651 H GLN 71 H GLN 71 4.770 -5.723 -6.481 652 HA GLN 71 HA GLN 71 3.902 -3.242 -6.345 653 1HB GLN 71 1HB GLN 71 6.029 -4.763 -5.111 654 2HB GLN 71 2HB GLN 71 6.586 -3.117 -5.338 655 1HG GLN 71 1HG GLN 71 3.983 -2.731 -4.418 656 2HG GLN 71 2HG GLN 71 4.478 -4.160 -3.532 657 2HE2 GLN 71 1HE2 GLN 71 3.992 -2.087 -2.038 658 1HE2 GLN 71 2HE2 GLN 71 5.418 -1.307 -1.441 659 QB GLN 71 QB GLN 71 6.308 -3.940 -5.225 660 QG GLN 71 QG GLN 71 4.230 -3.446 -3.975 661 QE GLN 71 QE GLN 71 4.705 -1.697 -1.740 662 H GLU 72 H GLU 72 7.003 -4.218 -7.951 663 HA GLU 72 HA GLU 72 8.017 -1.835 -8.578 664 1HB GLU 72 1HB GLU 72 8.002 -4.511 -9.891 665 2HB GLU 72 2HB GLU 72 8.490 -3.184 -10.925 666 1HG GLU 72 1HG GLU 72 9.901 -2.594 -8.624 667 2HG GLU 72 2HG GLU 72 9.872 -4.345 -8.551 668 HE2 GLU 72 HE2 GLU 72 12.056 -4.547 -9.178 669 QB GLU 72 QB GLU 72 8.246 -3.848 -10.408 670 QG GLU 72 QG GLU 72 9.887 -3.469 -8.588 671 H PHE 73 H PHE 73 6.102 -3.617 -11.099 672 HA PHE 73 HA PHE 73 5.614 -1.408 -12.657 673 1HB PHE 73 1HB PHE 73 5.263 -3.787 -13.320 674 2HB PHE 73 2HB PHE 73 4.031 -3.983 -12.089 675 HD1 PHE 73 HD1 PHE 73 4.775 -2.051 -15.182 676 HD2 PHE 73 HD2 PHE 73 1.790 -3.654 -12.627 677 HE1 PHE 73 HE1 PHE 73 3.008 -1.417 -16.849 678 HE2 PHE 73 HE2 PHE 73 0.023 -3.020 -14.293 679 HZ PHE 73 HZ PHE 73 0.653 -1.909 -16.384 680 QB PHE 73 QB PHE 73 4.647 -3.885 -12.704 681 QD PHE 73 QD PHE 73 3.283 -2.852 -13.905 682 QE PHE 73 QE PHE 73 1.516 -2.218 -15.571 683 QR PHE 73 QR PHE 73 2.399 -2.535 -14.738 684 H PHE 74 H PHE 74 3.862 -2.636 -9.785 685 HA PHE 74 HA PHE 74 1.612 -0.946 -10.182 686 1HB PHE 74 1HB PHE 74 2.790 -2.840 -8.153 687 2HB PHE 74 2HB PHE 74 1.704 -1.637 -7.486 688 HD1 PHE 74 HD1 PHE 74 1.655 -3.683 -10.618 689 HD2 PHE 74 HD2 PHE 74 -0.360 -2.552 -7.058 690 HE1 PHE 74 HE1 PHE 74 -0.313 -5.089 -11.285 691 HE2 PHE 74 HE2 PHE 74 -2.328 -3.959 -7.726 692 HZ PHE 74 HZ PHE 74 -2.281 -5.211 -9.831 693 QB PHE 74 QB PHE 74 2.247 -2.238 -7.820 694 QD PHE 74 QD PHE 74 0.648 -3.117 -8.838 695 QE PHE 74 QE PHE 74 -1.321 -4.524 -9.506 696 QR PHE 74 QR PHE 74 -0.336 -3.821 -9.172 697 H VAL 75 H VAL 75 4.803 -0.222 -9.443 698 HA VAL 75 HA VAL 75 4.056 1.935 -7.607 699 HB VAL 75 HB VAL 75 6.458 0.276 -8.072 700 1HG1 VAL 75 1HG1 VAL 75 6.623 3.248 -7.539 701 2HG1 VAL 75 2HG1 VAL 75 7.891 2.119 -7.002 702 3HG1 VAL 75 3HG1 VAL 75 7.514 2.277 -8.735 703 1HG2 VAL 75 1HG2 VAL 75 4.693 0.850 -5.962 704 2HG2 VAL 75 2HG2 VAL 75 6.175 -0.135 -5.895 705 3HG2 VAL 75 3HG2 VAL 75 6.240 1.599 -5.500 706 MG1 VAL 75 MG1 VAL 75 7.343 2.548 -7.759 707 MG2 VAL 75 MG2 VAL 75 5.703 0.771 -5.786 708 QG VAL 75 QG VAL 75 6.523 1.660 -6.772 709 H ALA 76 H ALA 76 6.114 1.289 -10.535 710 HA ALA 76 HA ALA 76 6.573 3.942 -11.164 711 1HB ALA 76 2HB ALA 76 6.497 2.617 -13.599 712 2HB ALA 76 1HB ALA 76 6.782 1.296 -12.441 713 3HB ALA 76 3HB ALA 76 7.896 2.683 -12.500 714 MB ALA 76 MB ALA 76 7.058 2.199 -12.846 715 H LEU 77 H LEU 77 3.679 1.959 -11.465 716 HA LEU 77 HA LEU 77 2.421 3.369 -13.524 717 1HB LEU 77 1HB LEU 77 1.849 1.241 -11.731 718 2HB LEU 77 2HB LEU 77 0.529 2.388 -11.620 719 HG LEU 77 HG LEU 77 1.536 1.050 -14.146 720 1HD1 LEU 77 1HD1 LEU 77 -0.343 0.231 -12.141 721 2HD1 LEU 77 2HD1 LEU 77 -1.205 0.529 -13.669 722 3HD1 LEU 77 3HD1 LEU 77 0.162 -0.609 -13.626 723 1HD2 LEU 77 1HD2 LEU 77 -0.170 3.414 -13.735 724 2HD2 LEU 77 2HD2 LEU 77 0.738 2.878 -15.169 725 3HD2 LEU 77 3HD2 LEU 77 -0.858 2.176 -14.812 726 MD1 LEU 77 MD1 LEU 77 -0.462 0.050 -13.146 727 MD2 LEU 77 MD2 LEU 77 -0.097 2.823 -14.572 728 QB LEU 77 QB LEU 77 1.189 1.814 -11.676 729 QD LEU 77 QD LEU 77 -0.279 1.437 -13.859 730 H ARG 78 H ARG 78 1.609 3.551 -9.987 731 HA ARG 78 HA ARG 78 0.209 5.886 -10.246 732 1HB ARG 78 1HB ARG 78 1.663 4.599 -7.898 733 2HB ARG 78 2HB ARG 78 0.784 6.101 -7.691 734 1HG ARG 78 1HG ARG 78 -0.414 3.509 -8.780 735 2HG ARG 78 2HG ARG 78 -0.611 4.093 -7.139 736 1HD ARG 78 1HD ARG 78 -2.520 5.061 -7.980 737 2HD ARG 78 2HD ARG 78 -1.423 6.321 -8.509 738 HE ARG 78 HE ARG 78 -1.265 4.626 -10.622 739 1HH1 ARG 78 1HH1 ARG 78 -4.099 5.791 -8.843 740 2HH1 ARG 78 2HH1 ARG 78 -5.158 5.679 -10.209 741 2HH2 ARG 78 HH2 ARG 78 -4.291 4.904 -12.305 742 QB ARG 78 QB ARG 78 1.224 5.350 -7.795 743 QG ARG 78 QG ARG 78 -0.512 3.801 -7.960 744 QD ARG 78 QD ARG 78 -1.971 5.691 -8.244 745 QH1 ARG 78 QH1 ARG 78 -4.628 5.735 -9.526 746 H LEU 79 H LEU 79 3.692 5.276 -9.546 747 HA LEU 79 HA LEU 79 4.533 7.723 -8.749 748 1HB LEU 79 1HB LEU 79 5.772 5.485 -9.174 749 2HB LEU 79 2HB LEU 79 6.081 6.134 -10.772 750 HG LEU 79 HG LEU 79 6.987 7.266 -8.117 751 1HD1 LEU 79 1HD1 LEU 79 8.376 5.963 -10.453 752 2HD1 LEU 79 2HD1 LEU 79 9.247 7.027 -9.323 753 3HD1 LEU 79 3HD1 LEU 79 8.451 5.552 -8.722 754 1HD2 LEU 79 1HD2 LEU 79 6.708 8.587 -10.763 755 2HD2 LEU 79 2HD2 LEU 79 6.661 9.270 -9.120 756 3HD2 LEU 79 3HD2 LEU 79 8.223 8.872 -9.875 757 MD1 LEU 79 MD1 LEU 79 8.691 6.181 -9.499 758 MD2 LEU 79 MD2 LEU 79 7.197 8.910 -9.919 759 QB LEU 79 QB LEU 79 5.926 5.810 -9.973 760 QD LEU 79 QD LEU 79 7.944 7.545 -9.709 761 H VAL 80 H VAL 80 3.766 6.641 -12.099 762 HA VAL 80 HA VAL 80 4.684 8.867 -13.442 763 HB VAL 80 HB VAL 80 2.344 7.031 -13.977 764 1HG1 VAL 80 1HG1 VAL 80 2.652 9.444 -15.188 765 2HG1 VAL 80 2HG1 VAL 80 3.651 8.419 -16.246 766 3HG1 VAL 80 3HG1 VAL 80 1.938 8.015 -15.974 767 1HG2 VAL 80 1HG2 VAL 80 5.127 6.583 -14.011 768 2HG2 VAL 80 2HG2 VAL 80 3.846 5.527 -14.654 769 3HG2 VAL 80 3HG2 VAL 80 4.633 6.719 -15.716 770 MG1 VAL 80 MG1 VAL 80 2.747 8.626 -15.803 771 MG2 VAL 80 MG2 VAL 80 4.536 6.276 -14.794 772 QG VAL 80 QG VAL 80 3.641 7.451 -15.298 773 H ALA 81 H ALA 81 1.456 8.247 -11.918 774 HA ALA 81 HA ALA 81 0.287 10.646 -12.681 775 1HB ALA 81 1HB ALA 81 -0.227 8.413 -10.882 776 2HB ALA 81 3HB ALA 81 -1.380 9.455 -11.749 777 3HB ALA 81 2HB ALA 81 -0.753 9.951 -10.158 778 MB ALA 81 MB ALA 81 -0.787 9.273 -10.930 779 H CYS 82 H CYS 82 2.901 9.990 -10.496 780 HA CYS 82 HA CYS 82 2.466 12.124 -8.714 781 1HB CYS 82 1HB CYS 82 4.019 10.032 -8.503 782 2HB CYS 82 2HB CYS 82 5.199 11.019 -9.343 783 HG CYS 82 HG CYS 82 3.857 12.634 -7.215 784 QB CYS 82 QB CYS 82 4.609 10.526 -8.923 785 H ALA 83 H ALA 83 4.942 11.690 -11.358 786 HA ALA 83 HA ALA 83 5.687 14.364 -11.447 787 1HB ALA 83 2HB ALA 83 6.254 13.502 -13.947 788 2HB ALA 83 1HB ALA 83 5.965 11.933 -13.157 789 3HB ALA 83 3HB ALA 83 7.211 13.034 -12.522 790 MB ALA 83 MB ALA 83 6.477 12.823 -13.209 791 H GLN 84 H GLN 84 2.789 12.755 -12.515 792 HA GLN 84 HA GLN 84 2.184 14.528 -14.611 793 1HB GLN 84 1HB GLN 84 0.483 12.622 -12.953 794 2HB GLN 84 2HB GLN 84 -0.174 13.559 -14.280 795 1HG GLN 84 1HG GLN 84 2.292 12.262 -15.135 796 2HG GLN 84 2HG GLN 84 1.219 11.070 -14.429 797 2HE2 GLN 84 1HE2 GLN 84 -1.255 11.988 -15.016 798 1HE2 GLN 84 2HE2 GLN 84 -1.536 12.012 -16.725 799 QB GLN 84 QB GLN 84 0.155 13.091 -13.617 800 QG GLN 84 QG GLN 84 1.756 11.666 -14.782 801 QE GLN 84 QE GLN 84 -1.396 12.000 -15.871 802 H ASN 85 H ASN 85 2.438 15.019 -11.284 803 HA ASN 85 HA ASN 85 0.389 17.090 -11.377 804 1HB ASN 85 1HB ASN 85 0.175 15.281 -9.579 805 2HB ASN 85 2HB ASN 85 1.697 15.832 -8.909 806 2HD2 ASN 85 1HD2 ASN 85 0.342 16.140 -7.003 807 1HD2 ASN 85 2HD2 ASN 85 -0.505 17.634 -6.783 808 QB ASN 85 QB ASN 85 0.936 15.557 -9.244 809 QD ASN 85 QD ASN 85 -0.082 16.887 -6.893 810 H GLY 86 H GLY 86 3.714 16.428 -11.580 811 1HA GLY 86 1HA GLY 86 5.328 18.073 -11.901 812 2HA GLY 86 2HA GLY 86 4.394 19.204 -10.942 813 QA GLY 86 QA GLY 86 4.861 18.639 -11.421 814 H LEU 87 H LEU 87 4.372 16.145 -9.418 815 HA LEU 87 HA LEU 87 6.101 17.124 -7.355 816 1HB LEU 87 1HB LEU 87 4.650 14.491 -7.659 817 2HB LEU 87 2HB LEU 87 5.475 15.042 -6.214 818 HG LEU 87 HG LEU 87 3.116 16.467 -7.474 819 1HD1 LEU 87 1HD1 LEU 87 3.260 14.182 -5.598 820 2HD1 LEU 87 2HD1 LEU 87 2.142 15.493 -5.149 821 3HD1 LEU 87 3HD1 LEU 87 1.971 14.677 -6.722 822 1HD2 LEU 87 1HD2 LEU 87 4.807 16.967 -5.055 823 2HD2 LEU 87 2HD2 LEU 87 4.134 18.111 -6.242 824 3HD2 LEU 87 3HD2 LEU 87 3.077 17.384 -5.008 825 MD1 LEU 87 MD1 LEU 87 2.458 14.784 -5.823 826 MD2 LEU 87 MD2 LEU 87 4.006 17.487 -5.435 827 QB LEU 87 QB LEU 87 5.062 14.766 -6.936 828 QD LEU 87 QD LEU 87 3.232 16.136 -5.629 829 H GLU 88 H GLU 88 7.652 15.236 -6.388 830 HA GLU 88 HA GLU 88 9.770 15.147 -8.127 831 1HB GLU 88 1HB GLU 88 9.414 14.648 -5.467 832 2HB GLU 88 2HB GLU 88 9.617 13.006 -6.044 833 1HG GLU 88 1HG GLU 88 11.854 13.320 -6.194 834 2HG GLU 88 2HG GLU 88 11.607 14.602 -7.364 835 HE2 GLU 88 HE2 GLU 88 13.585 14.732 -5.558 836 QB GLU 88 QB GLU 88 9.515 13.827 -5.756 837 QG GLU 88 QG GLU 88 11.731 13.961 -6.779 838 H VAL 89 H VAL 89 10.941 12.867 -8.619 839 HA VAL 89 HA VAL 89 8.901 11.215 -9.942 840 HB VAL 89 HB VAL 89 11.776 11.545 -10.787 841 1HG1 VAL 89 1HG1 VAL 89 9.377 10.139 -11.823 842 2HG1 VAL 89 2HG1 VAL 89 10.365 10.991 -13.034 843 3HG1 VAL 89 3HG1 VAL 89 11.105 9.749 -11.996 844 1HG2 VAL 89 1HG2 VAL 89 9.362 13.196 -11.584 845 2HG2 VAL 89 2HG2 VAL 89 10.907 13.762 -10.905 846 3HG2 VAL 89 3HG2 VAL 89 10.849 13.103 -12.558 847 MG1 VAL 89 MG1 VAL 89 10.282 10.293 -12.284 848 MG2 VAL 89 MG2 VAL 89 10.373 13.354 -11.682 849 QG VAL 89 QG VAL 89 10.328 11.823 -11.983 850 H SER 90 H SER 90 11.164 11.410 -7.407 851 HA SER 90 HA SER 90 11.819 8.602 -7.569 852 1HB SER 90 1HB SER 90 12.777 10.927 -5.886 853 2HB SER 90 2HB SER 90 13.075 9.289 -5.339 854 HG SER 90 HG SER 90 14.793 10.301 -6.708 855 QB SER 90 QB SER 90 12.926 10.108 -5.613 856 H LEU 91 H LEU 91 11.318 7.114 -5.789 857 HA LEU 91 HA LEU 91 8.714 7.387 -4.835 858 1HB LEU 91 1HB LEU 91 10.970 5.504 -4.512 859 2HB LEU 91 2HB LEU 91 9.781 5.493 -3.224 860 HG LEU 91 HG LEU 91 9.060 5.183 -6.147 861 1HD1 LEU 91 1HD1 LEU 91 10.583 3.377 -4.788 862 2HD1 LEU 91 2HD1 LEU 91 8.941 2.794 -4.426 863 3HD1 LEU 91 3HD1 LEU 91 9.468 2.977 -6.117 864 1HD2 LEU 91 1HD2 LEU 91 7.504 5.617 -3.811 865 2HD2 LEU 91 2HD2 LEU 91 6.953 5.284 -5.471 866 3HD2 LEU 91 3HD2 LEU 91 7.230 3.939 -4.338 867 MD1 LEU 91 MD1 LEU 91 9.664 3.049 -5.110 868 MD2 LEU 91 MD2 LEU 91 7.229 4.947 -4.540 869 QB LEU 91 QB LEU 91 10.375 5.499 -3.868 870 QD LEU 91 QD LEU 91 8.447 3.998 -4.825 871 H SER 92 H SER 92 11.803 8.564 -3.645 872 HA SER 92 HA SER 92 11.281 8.716 -0.970 873 1HB SER 92 1HB SER 92 13.420 9.312 -2.316 874 2HB SER 92 2HB SER 92 12.715 10.903 -2.521 875 HG SER 92 HG SER 92 12.449 10.705 -0.007 876 QB SER 92 QB SER 92 13.068 10.108 -2.419 877 H SER 93 H SER 93 9.735 10.341 -3.624 878 HA SER 93 HA SER 93 8.536 12.202 -1.722 879 1HB SER 93 1HB SER 93 9.928 12.819 -4.075 880 2HB SER 93 2HB SER 93 8.249 12.921 -4.567 881 HG SER 93 HG SER 93 8.226 14.172 -2.268 882 QB SER 93 QB SER 93 9.088 12.870 -4.321 883 H LEU 94 H LEU 94 7.781 9.381 -2.350 884 HA LEU 94 HA LEU 94 5.232 9.859 -3.725 885 1HB LEU 94 1HB LEU 94 7.127 7.578 -3.628 886 2HB LEU 94 2HB LEU 94 5.420 7.182 -3.639 887 HG LEU 94 HG LEU 94 6.421 7.167 -5.887 888 1HD1 LEU 94 1HD1 LEU 94 4.178 9.021 -5.192 889 2HD1 LEU 94 2HD1 LEU 94 4.750 8.951 -6.876 890 3HD1 LEU 94 3HD1 LEU 94 4.159 7.475 -6.075 891 1HD2 LEU 94 1HD2 LEU 94 7.578 9.638 -5.021 892 2HD2 LEU 94 2HD2 LEU 94 7.889 8.707 -6.505 893 3HD2 LEU 94 3HD2 LEU 94 6.601 9.934 -6.478 894 MD1 LEU 94 MD1 LEU 94 4.362 8.482 -6.048 895 MD2 LEU 94 MD2 LEU 94 7.356 9.426 -6.001 896 QB LEU 94 QB LEU 94 6.274 7.380 -3.634 897 QD LEU 94 QD LEU 94 5.859 8.954 -6.025 898 H SER 95 H SER 95 3.607 7.935 -2.816 899 HA SER 95 HA SER 95 2.453 7.153 -1.134 900 1HB SER 95 2HB SER 95 4.850 6.834 -0.058 901 2HB SER 95 1HB SER 95 3.411 6.641 0.923 902 HG SER 95 HG SER 95 4.435 8.071 2.176 903 QB SER 95 QB SER 95 4.131 6.737 0.433 904 H LEU 96 H LEU 96 2.217 9.851 -2.251 905 HA LEU 96 HA LEU 96 1.121 11.243 0.094 906 1HB LEU 96 1HB LEU 96 1.775 12.786 -2.343 907 2HB LEU 96 2HB LEU 96 1.870 13.239 -0.653 908 HG LEU 96 HG LEU 96 3.828 11.277 -1.837 909 1HD1 LEU 96 1HD1 LEU 96 3.902 14.291 -2.022 910 2HD1 LEU 96 2HD1 LEU 96 5.363 13.279 -2.125 911 3HD1 LEU 96 3HD1 LEU 96 4.063 13.091 -3.327 912 1HD2 LEU 96 1HD2 LEU 96 3.462 11.835 0.714 913 2HD2 LEU 96 2HD2 LEU 96 5.095 11.618 0.040 914 3HD2 LEU 96 3HD2 LEU 96 4.456 13.256 0.315 915 MD1 LEU 96 MD1 LEU 96 4.442 13.554 -2.491 916 MD2 LEU 96 MD2 LEU 96 4.338 12.236 0.356 917 QB LEU 96 QB LEU 96 1.822 13.013 -1.498 918 QD LEU 96 QD LEU 96 4.390 12.895 -1.068 919 H ALA 97 H ALA 97 -0.336 13.185 -1.452 920 HA ALA 97 HA ALA 97 -2.451 11.415 -2.430 921 1HB ALA 97 1HB ALA 97 -2.313 14.073 -1.067 922 2HB ALA 97 2HB ALA 97 -3.640 13.821 -2.226 923 3HB ALA 97 3HB ALA 97 -3.454 12.727 -0.834 924 MB ALA 97 MB ALA 97 -3.136 13.540 -1.375 925 H VAL 98 H VAL 98 -1.042 11.117 -4.429 926 HA VAL 98 HA VAL 98 -0.775 13.420 -6.121 927 HB VAL 98 HB VAL 98 0.094 11.748 -7.728 928 1HG1 VAL 98 1HG1 VAL 98 1.396 12.867 -5.743 929 2HG1 VAL 98 2HG1 VAL 98 1.448 11.209 -5.098 930 3HG1 VAL 98 3HG1 VAL 98 2.157 11.567 -6.691 931 1HG2 VAL 98 1HG2 VAL 98 -1.422 9.893 -6.676 932 2HG2 VAL 98 2HG2 VAL 98 0.180 9.463 -7.323 933 3HG2 VAL 98 3HG2 VAL 98 -0.048 9.657 -5.568 934 MG1 VAL 98 MG1 VAL 98 1.667 11.881 -5.844 935 MG2 VAL 98 MG2 VAL 98 -0.430 9.671 -6.522 936 QG VAL 98 QG VAL 98 0.619 10.776 -6.183 937 HA PRO 99 HA PRO 99 -4.548 13.015 -8.186 938 1HB PRO 99 1HB PRO 99 -3.982 14.127 -10.617 939 2HB PRO 99 2HB PRO 99 -4.315 15.077 -9.182 940 1HG PRO 99 2HG PRO 99 -2.140 15.822 -9.357 941 2HG PRO 99 1HG PRO 99 -1.722 14.566 -10.505 942 1HD PRO 99 1HD PRO 99 -0.645 13.434 -8.819 943 2HD PRO 99 2HD PRO 99 -1.163 14.632 -7.650 944 QB PRO 99 QB PRO 99 -4.149 14.602 -9.899 945 QG PRO 99 QG PRO 99 -1.930 15.194 -9.931 946 QD PRO 99 QD PRO 99 -0.904 14.033 -8.234 947 HA PRO 100 HA PRO 100 -4.820 9.626 -10.731 948 1HB PRO 100 1HB PRO 100 -6.867 10.144 -12.466 949 2HB PRO 100 2HB PRO 100 -7.121 9.640 -10.807 950 1HG PRO 100 1HG PRO 100 -7.442 12.327 -11.997 951 2HG PRO 100 2HG PRO 100 -8.082 11.712 -10.486 952 1HD PRO 100 1HD PRO 100 -5.838 13.469 -10.811 953 2HD PRO 100 2HD PRO 100 -6.407 12.762 -9.312 954 QB PRO 100 QB PRO 100 -6.994 9.892 -11.636 955 QG PRO 100 QG PRO 100 -7.762 12.020 -11.241 956 QD PRO 100 QD PRO 100 -6.122 13.115 -10.062 957 HA PRO 101 HA PRO 101 -2.385 10.176 -14.174 958 1HB PRO 101 1HB PRO 101 -2.197 7.596 -15.053 959 2HB PRO 101 2HB PRO 101 -1.200 8.245 -13.767 960 1HG PRO 101 1HG PRO 101 -3.514 6.416 -13.574 961 2HG PRO 101 2HG PRO 101 -2.264 6.734 -12.387 962 1HD PRO 101 1HD PRO 101 -4.951 7.738 -12.362 963 2HD PRO 101 2HD PRO 101 -3.668 8.148 -11.240 964 QB PRO 101 QB PRO 101 -1.698 7.920 -14.410 965 QG PRO 101 QG PRO 101 -2.889 6.575 -12.981 966 QD PRO 101 QD PRO 101 -4.310 7.943 -11.801 967 H ARG 102 H ARG 102 -2.353 8.851 -16.593 968 HA ARG 102 HA ARG 102 -4.868 9.880 -17.589 969 1HB ARG 102 1HB ARG 102 -2.299 10.316 -18.462 970 2HB ARG 102 2HB ARG 102 -2.738 8.969 -19.494 971 1HG ARG 102 1HG ARG 102 -4.230 10.217 -20.710 972 2HG ARG 102 2HG ARG 102 -4.865 11.026 -19.291 973 1HD ARG 102 1HD ARG 102 -2.618 12.349 -19.248 974 2HD ARG 102 2HD ARG 102 -2.352 11.727 -20.865 975 HE ARG 102 HE ARG 102 -4.105 13.090 -21.683 976 1HH1 ARG 102 1HH1 ARG 102 -4.031 13.192 -18.142 977 2HH1 ARG 102 2HH1 ARG 102 -5.124 14.531 -18.034 978 2HH2 ARG 102 HH2 ARG 102 -6.002 15.494 -20.045 979 QB ARG 102 QB ARG 102 -2.518 9.643 -18.978 980 QG ARG 102 QG ARG 102 -4.547 10.621 -20.001 981 QD ARG 102 QD ARG 102 -2.485 12.038 -20.057 982 QH1 ARG 102 QH1 ARG 102 -4.577 13.862 -18.088 983 H PHE 103 H PHE 103 -2.887 6.949 -17.253 984 HA PHE 103 HA PHE 103 -3.735 5.253 -19.110 985 1HB PHE 103 2HB PHE 103 -3.403 3.529 -17.373 986 2HB PHE 103 1HB PHE 103 -3.877 4.642 -16.104 987 HD1 PHE 103 HD1 PHE 103 -1.296 4.365 -18.794 988 HD2 PHE 103 HD2 PHE 103 -2.204 5.584 -14.832 989 HE1 PHE 103 HE1 PHE 103 1.111 4.975 -18.430 990 HE2 PHE 103 HE2 PHE 103 0.204 6.194 -14.468 991 HZ PHE 103 HZ PHE 103 1.833 5.883 -16.272 992 QB PHE 103 QB PHE 103 -3.640 4.085 -16.738 993 QD PHE 103 QD PHE 103 -1.750 4.975 -16.813 994 QE PHE 103 QE PHE 103 0.658 5.585 -16.449 995 QR PHE 103 QR PHE 103 -0.546 5.280 -16.631 996 H HIS 104 H HIS 104 -5.424 3.495 -19.117 997 HA HIS 104 HA HIS 104 -7.969 4.675 -18.873 998 1HB HIS 104 1HB HIS 104 -7.040 2.821 -20.479 999 2HB HIS 104 2HB HIS 104 -7.527 1.720 -19.205 1000 HD1 HIS 104 HD1 HIS 104 -9.963 1.056 -19.126 1001 HD2 HIS 104 HD2 HIS 104 -9.285 4.424 -21.533 1002 HE1 HIS 104 HE1 HIS 104 -12.176 1.559 -20.291 1003 QB HIS 104 QB HIS 104 -7.284 2.271 -19.842 1004 H ASP 105 H ASP 105 -9.794 3.149 -17.764 1005 HA ASP 105 HA ASP 105 -9.010 1.871 -15.406 1006 1HB ASP 105 1HB ASP 105 -9.160 4.707 -15.220 1007 2HB ASP 105 2HB ASP 105 -10.644 4.123 -14.494 1008 HD2 ASP 105 HD2 ASP 105 -9.294 4.006 -11.660 1009 QB ASP 105 QB ASP 105 -9.902 4.415 -14.857 No H/Q in entry = 1009 Start of MODEL 24 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.433 0.437 -2.011 3 1HB LEU 7 1HB LEU 7 3.943 0.499 -0.332 4 2HB LEU 7 2HB LEU 7 3.879 0.817 -2.054 5 HG LEU 7 HG LEU 7 2.331 2.441 -0.023 6 1HD1 LEU 7 1HD1 LEU 7 4.784 2.518 0.419 7 2HD1 LEU 7 2HD1 LEU 7 5.018 3.148 -1.229 8 3HD1 LEU 7 3HD1 LEU 7 4.078 4.085 -0.042 9 1HD2 LEU 7 1HD2 LEU 7 2.650 2.497 -2.958 10 2HD2 LEU 7 2HD2 LEU 7 1.326 3.089 -1.927 11 3HD2 LEU 7 3HD2 LEU 7 2.794 4.072 -2.143 12 MD1 LEU 7 MD1 LEU 7 4.626 3.250 -0.284 13 MD2 LEU 7 MD2 LEU 7 2.256 3.219 -2.343 14 QB LEU 7 QB LEU 7 3.911 0.658 -1.193 15 QD LEU 7 QD LEU 7 3.441 3.235 -1.313 16 H SER 8 H SER 8 3.433 -0.802 -3.301 17 HA SER 8 HA SER 8 3.649 -3.494 -2.359 18 1HB SER 8 1HB SER 8 2.776 -3.861 -5.031 19 2HB SER 8 2HB SER 8 1.951 -4.360 -3.567 20 HG SER 8 HG SER 8 0.951 -2.211 -3.497 21 QB SER 8 QB SER 8 2.363 -4.110 -4.299 22 H LEU 9 H LEU 9 4.912 -4.832 -4.191 23 HA LEU 9 HA LEU 9 7.182 -3.210 -4.849 24 1HB LEU 9 1HB LEU 9 6.561 -6.138 -5.247 25 2HB LEU 9 2HB LEU 9 8.082 -5.387 -5.685 26 HG LEU 9 HG LEU 9 6.951 -5.435 -2.874 27 1HD1 LEU 9 1HD1 LEU 9 8.969 -7.251 -4.210 28 2HD1 LEU 9 2HD1 LEU 9 8.748 -7.132 -2.448 29 3HD1 LEU 9 3HD1 LEU 9 7.410 -7.697 -3.477 30 1HD2 LEU 9 1HD2 LEU 9 8.464 -3.551 -3.324 31 2HD2 LEU 9 2HD2 LEU 9 9.168 -4.716 -2.177 32 3HD2 LEU 9 3HD2 LEU 9 9.716 -4.693 -3.870 33 MD1 LEU 9 MD1 LEU 9 8.376 -7.360 -3.378 34 MD2 LEU 9 MD2 LEU 9 9.116 -4.320 -3.124 35 QB LEU 9 QB LEU 9 7.321 -5.762 -5.466 36 QD LEU 9 QD LEU 9 8.746 -5.840 -3.251 37 H THR 10 H THR 10 4.357 -4.623 -6.491 38 HA THR 10 HA THR 10 5.257 -4.460 -9.116 39 HB THR 10 HB THR 10 2.525 -4.259 -7.767 40 HG1 THR 10 HG1 THR 10 3.202 -6.385 -7.758 41 1HG2 THR 10 1HG2 THR 10 2.445 -3.171 -10.063 42 2HG2 THR 10 2HG2 THR 10 3.134 -4.665 -10.741 43 3HG2 THR 10 3HG2 THR 10 1.527 -4.694 -9.977 44 MG THR 10 MG THR 10 2.369 -4.177 -10.260 45 H GLN 11 H GLN 11 3.186 -2.024 -7.392 46 HA GLN 11 HA GLN 11 3.442 -0.149 -9.395 47 1HB GLN 11 1HB GLN 11 2.334 -0.306 -6.707 48 2HB GLN 11 2HB GLN 11 3.101 1.252 -6.941 49 1HG GLN 11 1HG GLN 11 1.760 0.933 -9.349 50 2HG GLN 11 2HG GLN 11 0.672 0.126 -8.237 51 2HE2 GLN 11 1HE2 GLN 11 2.422 3.108 -8.900 52 1HE2 GLN 11 2HE2 GLN 11 1.388 4.189 -8.027 53 QB GLN 11 QB GLN 11 2.718 0.473 -6.824 54 QG GLN 11 QG GLN 11 1.216 0.530 -8.793 55 QE GLN 11 QE GLN 11 1.905 3.649 -8.463 56 H LEU 12 H LEU 12 5.529 -0.965 -6.624 57 HA LEU 12 HA LEU 12 7.025 1.240 -6.274 58 1HB LEU 12 1HB LEU 12 7.157 -1.297 -5.440 59 2HB LEU 12 2HB LEU 12 8.496 -1.326 -6.570 60 HG LEU 12 HG LEU 12 9.139 -0.851 -4.210 61 1HD1 LEU 12 1HD1 LEU 12 10.508 -0.166 -6.191 62 2HD1 LEU 12 2HD1 LEU 12 9.780 1.453 -6.066 63 3HD1 LEU 12 3HD1 LEU 12 10.770 0.817 -4.730 64 1HD2 LEU 12 1HD2 LEU 12 6.971 0.809 -4.149 65 2HD2 LEU 12 2HD2 LEU 12 8.306 0.821 -2.973 66 3HD2 LEU 12 3HD2 LEU 12 8.308 1.969 -4.333 67 MD1 LEU 12 MD1 LEU 12 10.353 0.701 -5.662 68 MD2 LEU 12 MD2 LEU 12 7.862 1.200 -3.818 69 QB LEU 12 QB LEU 12 7.827 -1.312 -6.005 70 QD LEU 12 QD LEU 12 9.108 0.951 -4.740 71 H SER 13 H SER 13 7.301 -1.125 -8.990 72 HA SER 13 HA SER 13 8.169 0.899 -10.711 73 1HB SER 13 1HB SER 13 10.251 -0.668 -9.300 74 2HB SER 13 2HB SER 13 10.426 -0.692 -11.044 75 HG SER 13 HG SER 13 9.844 1.856 -10.042 76 QB SER 13 QB SER 13 10.339 -0.680 -10.172 77 H SER 14 H SER 14 6.050 -0.556 -11.164 78 HA SER 14 HA SER 14 5.044 -2.003 -12.430 79 1HB SER 14 1HB SER 14 7.367 -1.147 -13.938 80 2HB SER 14 2HB SER 14 7.014 -2.814 -14.344 81 HG SER 14 HG SER 14 4.706 -2.047 -14.622 82 QB SER 14 QB SER 14 7.190 -1.980 -14.141 83 H GLY 15 H GLY 15 6.975 -2.915 -10.173 84 1HA GLY 15 1HA GLY 15 7.335 -4.910 -9.173 85 2HA GLY 15 2HA GLY 15 6.535 -5.718 -10.506 86 QA GLY 15 QA GLY 15 6.935 -5.314 -9.839 87 H ASN 16 H ASN 16 9.426 -3.530 -10.533 88 HA ASN 16 HA ASN 16 10.767 -5.221 -12.304 89 1HB ASN 16 1HB ASN 16 11.073 -2.643 -11.769 90 2HB ASN 16 2HB ASN 16 12.160 -3.192 -10.509 91 2HD2 ASN 16 1HD2 ASN 16 12.584 -1.691 -13.031 92 1HD2 ASN 16 2HD2 ASN 16 13.815 -2.536 -13.908 93 QB ASN 16 QB ASN 16 11.616 -2.918 -11.139 94 QD ASN 16 QD ASN 16 13.199 -2.113 -13.470 95 HA PRO 17 HA PRO 17 12.298 -7.869 -9.093 96 1HB PRO 17 1HB PRO 17 13.457 -9.750 -10.702 97 2HB PRO 17 2HB PRO 17 11.761 -9.779 -10.261 98 1HG PRO 17 2HG PRO 17 11.331 -9.448 -12.503 99 2HG PRO 17 1HG PRO 17 12.994 -9.006 -12.835 100 1HD PRO 17 1HD PRO 17 12.352 -6.800 -12.923 101 2HD PRO 17 2HD PRO 17 10.714 -7.233 -12.477 102 QB PRO 17 QB PRO 17 12.609 -9.764 -10.482 103 QG PRO 17 QG PRO 17 12.163 -9.227 -12.669 104 QD PRO 17 QD PRO 17 11.533 -7.017 -12.700 105 H VAL 18 H VAL 18 13.952 -5.861 -11.109 106 HA VAL 18 HA VAL 18 16.572 -6.672 -10.801 107 HB VAL 18 HB VAL 18 15.820 -4.929 -12.316 108 1HG1 VAL 18 1HG1 VAL 18 14.191 -3.964 -10.531 109 2HG1 VAL 18 2HG1 VAL 18 15.588 -2.985 -10.024 110 3HG1 VAL 18 3HG1 VAL 18 14.966 -2.853 -11.686 111 1HG2 VAL 18 1HG2 VAL 18 18.183 -4.980 -11.647 112 2HG2 VAL 18 2HG2 VAL 18 17.636 -3.317 -11.964 113 3HG2 VAL 18 3HG2 VAL 18 17.827 -3.886 -10.289 114 MG1 VAL 18 MG1 VAL 18 14.915 -3.267 -10.747 115 MG2 VAL 18 MG2 VAL 18 17.882 -4.061 -11.300 116 QG VAL 18 QG VAL 18 16.399 -3.664 -11.023 117 H TYR 19 H TYR 19 14.559 -4.518 -8.687 118 HA TYR 19 HA TYR 19 16.576 -4.097 -6.786 119 1HB TYR 19 1HB TYR 19 13.530 -4.004 -6.989 120 2HB TYR 19 2HB TYR 19 14.258 -3.759 -5.414 121 HD1 TYR 19 HD1 TYR 19 16.316 -2.573 -8.114 122 HD2 TYR 19 HD2 TYR 19 13.035 -1.513 -5.581 123 HE1 TYR 19 HE1 TYR 19 16.678 -0.117 -8.661 124 HE2 TYR 19 HE2 TYR 19 13.409 0.940 -6.137 125 HH TYR 19 HH TYR 19 14.888 2.386 -6.980 126 QB TYR 19 QB TYR 19 13.894 -3.882 -6.201 127 QD TYR 19 QD TYR 19 14.676 -2.043 -6.848 128 QE TYR 19 QE TYR 19 15.044 0.411 -7.399 129 QR TYR 19 QR TYR 19 14.860 -0.816 -7.123 130 H GLU 20 H GLU 20 14.127 -6.674 -7.224 131 HA GLU 20 HA GLU 20 14.175 -7.739 -4.717 132 1HB GLU 20 1HB GLU 20 13.328 -8.541 -7.371 133 2HB GLU 20 2HB GLU 20 14.062 -9.916 -6.569 134 1HG GLU 20 1HG GLU 20 12.243 -8.335 -4.825 135 2HG GLU 20 2HG GLU 20 11.445 -9.072 -6.201 136 HE2 GLU 20 HE2 GLU 20 11.417 -9.838 -3.332 137 QB GLU 20 QB GLU 20 13.695 -9.229 -6.970 138 QG GLU 20 QG GLU 20 11.844 -8.703 -5.513 139 H LYS 21 H LYS 21 16.456 -8.225 -7.463 140 HA LYS 21 HA LYS 21 17.914 -10.324 -6.492 141 1HB LYS 21 1HB LYS 21 19.117 -9.925 -8.323 142 2HB LYS 21 2HB LYS 21 18.068 -8.554 -8.623 143 1HG LYS 21 1HG LYS 21 19.586 -7.059 -7.376 144 2HG LYS 21 2HG LYS 21 20.595 -8.415 -6.913 145 1HD LYS 21 1HD LYS 21 20.796 -8.834 -9.518 146 2HD LYS 21 2HD LYS 21 20.247 -7.176 -9.660 147 1HE LYS 21 1HE LYS 21 22.190 -6.294 -8.713 148 2HE LYS 21 2HE LYS 21 22.474 -7.700 -7.707 149 QB LYS 21 QB LYS 21 18.593 -9.240 -8.473 150 QD LYS 21 QD LYS 21 20.521 -8.005 -9.589 151 QG LYS 21 QG LYS 21 20.091 -7.737 -7.144 152 QE LYS 21 QE LYS 21 22.332 -6.997 -8.210 153 QZ LYS 21 QZ LYS 21 23.035 -8.001 -10.302 154 H TYR 22 H TYR 22 18.299 -6.796 -5.773 155 HA TYR 22 HA TYR 22 20.483 -7.198 -4.023 156 1HB TYR 22 1HB TYR 22 18.316 -5.020 -4.292 157 2HB TYR 22 2HB TYR 22 19.819 -4.797 -3.418 158 HD1 TYR 22 HD1 TYR 22 18.291 -5.116 -6.755 159 HD2 TYR 22 HD2 TYR 22 21.923 -4.446 -4.594 160 HE1 TYR 22 HE1 TYR 22 19.421 -4.314 -8.887 161 HE2 TYR 22 HE2 TYR 22 23.040 -3.646 -6.733 162 HH TYR 22 HH TYR 22 21.180 -3.243 -9.695 163 QB TYR 22 QB TYR 22 19.068 -4.909 -3.855 164 QD TYR 22 QD TYR 22 20.107 -4.781 -5.675 165 QE TYR 22 QE TYR 22 21.230 -3.980 -7.810 166 QR TYR 22 QR TYR 22 20.669 -4.380 -6.742 167 H TYR 23 H TYR 23 16.936 -6.635 -3.490 168 HA TYR 23 HA TYR 23 16.972 -6.576 -0.743 169 1HB TYR 23 1HB TYR 23 14.934 -6.083 -1.936 170 2HB TYR 23 2HB TYR 23 15.102 -7.485 -2.973 171 HD1 TYR 23 HD1 TYR 23 14.414 -9.725 -2.188 172 HD2 TYR 23 HD2 TYR 23 13.864 -6.245 0.240 173 HE1 TYR 23 HE1 TYR 23 12.790 -11.005 -0.708 174 HE2 TYR 23 HE2 TYR 23 12.242 -7.537 1.712 175 HH TYR 23 HH TYR 23 11.250 -10.811 0.858 176 QB TYR 23 QB TYR 23 15.018 -6.784 -2.454 177 QD TYR 23 QD TYR 23 14.139 -7.985 -0.974 178 QE TYR 23 QE TYR 23 12.516 -9.271 0.501 179 QR TYR 23 QR TYR 23 13.327 -8.628 -0.236 180 H ARG 24 H ARG 24 17.544 -9.278 -2.917 181 HA ARG 24 HA ARG 24 16.925 -11.190 -0.880 182 1HB ARG 24 1HB ARG 24 16.477 -11.669 -3.299 183 2HB ARG 24 2HB ARG 24 18.190 -11.538 -3.647 184 1HG ARG 24 1HG ARG 24 17.349 -13.462 -1.484 185 2HG ARG 24 2HG ARG 24 17.014 -13.912 -3.144 186 1HD ARG 24 1HD ARG 24 19.730 -12.858 -2.937 187 2HD ARG 24 2HD ARG 24 19.499 -14.135 -1.760 188 HE ARG 24 HE ARG 24 18.390 -15.231 -4.027 189 1HH1 ARG 24 1HH1 ARG 24 21.519 -13.693 -3.402 190 2HH1 ARG 24 2HH1 ARG 24 22.353 -14.613 -4.609 191 2HH2 ARG 24 HH2 ARG 24 21.140 -16.225 -5.902 192 QB ARG 24 QB ARG 24 17.334 -11.603 -3.473 193 QG ARG 24 QG ARG 24 17.181 -13.687 -2.314 194 QD ARG 24 QD ARG 24 19.614 -13.496 -2.348 195 QH1 ARG 24 QH1 ARG 24 21.936 -14.153 -4.006 196 H GLN 25 H GLN 25 19.669 -9.370 -2.121 197 HA GLN 25 HA GLN 25 21.705 -11.111 -1.424 198 1HB GLN 25 1HB GLN 25 21.554 -8.095 -1.735 199 2HB GLN 25 2HB GLN 25 23.054 -8.879 -1.281 200 1HG GLN 25 1HG GLN 25 22.763 -10.393 -3.338 201 2HG GLN 25 2HG GLN 25 21.432 -9.360 -3.821 202 2HE2 GLN 25 1HE2 GLN 25 24.667 -8.841 -2.411 203 1HE2 GLN 25 2HE2 GLN 25 25.226 -7.679 -3.567 204 QB GLN 25 QB GLN 25 22.304 -8.487 -1.508 205 QG GLN 25 QG GLN 25 22.097 -9.876 -3.579 206 QE GLN 25 QE GLN 25 24.946 -8.260 -2.989 207 H VAL 26 H VAL 26 19.860 -8.669 0.451 208 HA VAL 26 HA VAL 26 21.549 -8.849 2.734 209 HB VAL 26 HB VAL 26 20.174 -7.273 3.648 210 1HG1 VAL 26 1HG1 VAL 26 20.945 -6.751 1.189 211 2HG1 VAL 26 2HG1 VAL 26 19.199 -6.796 0.845 212 3HG1 VAL 26 3HG1 VAL 26 19.841 -5.643 2.040 213 1HG2 VAL 26 1HG2 VAL 26 17.870 -8.519 2.117 214 2HG2 VAL 26 2HG2 VAL 26 18.158 -8.556 3.873 215 3HG2 VAL 26 3HG2 VAL 26 17.738 -7.023 3.072 216 MG1 VAL 26 MG1 VAL 26 19.995 -6.397 1.358 217 MG2 VAL 26 MG2 VAL 26 17.922 -8.033 3.021 218 QG VAL 26 QG VAL 26 18.959 -7.215 2.190 219 H GLU 27 H GLU 27 18.432 -10.329 1.678 220 HA GLU 27 HA GLU 27 17.572 -11.505 3.877 221 1HB GLU 27 1HB GLU 27 16.509 -11.795 1.684 222 2HB GLU 27 2HB GLU 27 17.840 -12.789 1.125 223 1HG GLU 27 1HG GLU 27 16.779 -13.842 3.639 224 2HG GLU 27 2HG GLU 27 15.489 -13.659 2.468 225 HE2 GLU 27 HE2 GLU 27 16.914 -15.984 3.469 226 QB GLU 27 QB GLU 27 17.175 -12.292 1.404 227 QG GLU 27 QG GLU 27 16.134 -13.751 3.053 228 H ALA 28 H ALA 28 17.987 -13.379 5.152 229 HA ALA 28 HA ALA 28 20.699 -14.443 4.781 230 1HB ALA 28 1HB ALA 28 20.272 -13.159 6.868 231 2HB ALA 28 3HB ALA 28 20.649 -14.867 7.195 232 3HB ALA 28 2HB ALA 28 18.966 -14.296 7.282 233 MB ALA 28 MB ALA 28 19.962 -14.107 7.115 234 H GLY 29 H GLY 29 21.026 -16.674 4.681 235 1HA GLY 29 1HA GLY 29 20.510 -18.868 4.540 236 2HA GLY 29 2HA GLY 29 18.977 -18.548 5.326 237 QA GLY 29 QA GLY 29 19.743 -18.708 4.933 238 H ASN 30 H ASN 30 18.298 -20.257 3.649 239 HA ASN 30 HA ASN 30 17.797 -18.927 1.105 240 1HB ASN 30 1HB ASN 30 19.082 -21.298 1.427 241 2HB ASN 30 2HB ASN 30 17.440 -21.909 1.444 242 2HD2 ASN 30 1HD2 ASN 30 20.010 -21.313 -0.460 243 1HD2 ASN 30 2HD2 ASN 30 19.262 -21.103 -2.009 244 QB ASN 30 QB ASN 30 18.261 -21.603 1.435 245 QD ASN 30 QD ASN 30 19.636 -21.208 -1.234 246 H THR 31 H THR 31 16.145 -18.282 3.301 247 HA THR 31 HA THR 31 13.798 -20.021 3.062 248 HB THR 31 HB THR 31 14.375 -19.646 5.350 249 HG1 THR 31 HG1 THR 31 12.138 -19.048 4.783 250 1HG2 THR 31 1HG2 THR 31 14.833 -16.742 4.500 251 2HG2 THR 31 2HG2 THR 31 14.686 -17.244 6.202 252 3HG2 THR 31 3HG2 THR 31 16.028 -17.856 5.205 253 MG THR 31 MG THR 31 15.183 -17.281 5.302 254 H GLY 32 H GLY 32 14.934 -16.656 2.538 255 1HA GLY 32 1HA GLY 32 14.047 -15.540 0.596 256 2HA GLY 32 2HA GLY 32 12.476 -16.229 0.951 257 QA GLY 32 QA GLY 32 13.262 -15.885 0.773 258 H ARG 33 H ARG 33 13.243 -15.740 3.994 259 HA ARG 33 HA ARG 33 12.003 -13.168 4.015 260 1HB ARG 33 1HB ARG 33 11.989 -13.544 6.530 261 2HB ARG 33 2HB ARG 33 11.187 -14.808 5.619 262 1HG ARG 33 1HG ARG 33 12.900 -16.371 5.997 263 2HG ARG 33 2HG ARG 33 14.130 -15.139 6.202 264 1HD ARG 33 1HD ARG 33 12.310 -14.624 8.296 265 2HD ARG 33 2HD ARG 33 12.376 -16.373 8.222 266 HE ARG 33 HE ARG 33 15.023 -15.128 8.095 267 1HH1 ARG 33 1HH1 ARG 33 12.489 -16.295 10.280 268 2HH1 ARG 33 2HH1 ARG 33 13.573 -16.530 11.611 269 2HH2 ARG 33 HH2 ARG 33 15.898 -16.020 11.335 270 QB ARG 33 QB ARG 33 11.588 -14.176 6.074 271 QG ARG 33 QG ARG 33 13.515 -15.755 6.099 272 QD ARG 33 QD ARG 33 12.343 -15.498 8.259 273 QH1 ARG 33 QH1 ARG 33 13.031 -16.412 10.945 274 H VAL 34 H VAL 34 12.952 -11.221 4.800 275 HA VAL 34 HA VAL 34 15.852 -11.272 4.865 276 HB VAL 34 HB VAL 34 13.788 -9.071 4.737 277 1HG1 VAL 34 1HG1 VAL 34 16.731 -8.965 5.239 278 2HG1 VAL 34 2HG1 VAL 34 16.034 -7.757 4.132 279 3HG1 VAL 34 3HG1 VAL 34 15.430 -7.887 5.802 280 1HG2 VAL 34 1HG2 VAL 34 15.710 -10.271 2.727 281 2HG2 VAL 34 2HG2 VAL 34 13.934 -10.189 2.645 282 3HG2 VAL 34 3HG2 VAL 34 14.902 -8.704 2.482 283 MG1 VAL 34 MG1 VAL 34 16.065 -8.203 5.058 284 MG2 VAL 34 MG2 VAL 34 14.848 -9.721 2.618 285 QG VAL 34 QG VAL 34 15.457 -8.962 3.838 286 H LEU 35 H LEU 35 16.821 -11.685 6.783 287 HA LEU 35 HA LEU 35 15.539 -11.608 9.227 288 1HB LEU 35 1HB LEU 35 18.160 -12.127 8.185 289 2HB LEU 35 2HB LEU 35 18.302 -11.153 9.634 290 HG LEU 35 HG LEU 35 16.734 -13.740 9.480 291 1HD1 LEU 35 1HD1 LEU 35 19.577 -13.321 9.584 292 2HD1 LEU 35 2HD1 LEU 35 19.020 -14.066 11.101 293 3HD1 LEU 35 3HD1 LEU 35 18.656 -14.844 9.542 294 1HD2 LEU 35 1HD2 LEU 35 17.277 -11.752 11.636 295 2HD2 LEU 35 2HD2 LEU 35 15.828 -12.734 11.312 296 3HD2 LEU 35 3HD2 LEU 35 17.255 -13.477 12.073 297 MD1 LEU 35 MD1 LEU 35 19.084 -14.077 10.076 298 MD2 LEU 35 MD2 LEU 35 16.787 -12.654 11.673 299 QB LEU 35 QB LEU 35 18.231 -11.640 8.910 300 QD LEU 35 QD LEU 35 17.935 -13.366 10.875 301 H ALA 36 H ALA 36 16.398 -9.010 7.195 302 HA ALA 36 HA ALA 36 16.057 -6.824 7.508 303 1HB ALA 36 3HB ALA 36 14.814 -6.111 9.274 304 2HB ALA 36 1HB ALA 36 14.681 -7.847 9.646 305 3HB ALA 36 2HB ALA 36 15.905 -6.851 10.470 306 MB ALA 36 MB ALA 36 15.133 -6.937 9.796 307 H LEU 37 H LEU 37 17.923 -8.281 10.267 308 HA LEU 37 HA LEU 37 19.651 -6.298 10.796 309 1HB LEU 37 1HB LEU 37 19.720 -9.235 10.908 310 2HB LEU 37 2HB LEU 37 21.300 -8.478 10.881 311 HG LEU 37 HG LEU 37 20.091 -6.958 12.777 312 1HD1 LEU 37 1HD1 LEU 37 18.130 -8.761 12.411 313 2HD1 LEU 37 2HD1 LEU 37 19.087 -9.609 13.650 314 3HD1 LEU 37 3HD1 LEU 37 18.464 -7.973 13.972 315 1HD2 LEU 37 1HD2 LEU 37 22.269 -8.390 12.729 316 2HD2 LEU 37 2HD2 LEU 37 21.521 -7.962 14.286 317 3HD2 LEU 37 3HD2 LEU 37 21.282 -9.588 13.601 318 MD1 LEU 37 MD1 LEU 37 18.560 -8.781 13.345 319 MD2 LEU 37 MD2 LEU 37 21.690 -8.647 13.539 320 QB LEU 37 QB LEU 37 20.510 -8.856 10.894 321 QD LEU 37 QD LEU 37 20.125 -8.714 13.442 322 H ASP 38 H ASP 38 20.053 -8.746 8.146 323 HA ASP 38 HA ASP 38 22.410 -7.723 7.193 324 1HB ASP 38 1HB ASP 38 20.244 -9.493 6.227 325 2HB ASP 38 2HB ASP 38 21.048 -8.646 4.921 326 HD2 ASP 38 HD2 ASP 38 22.786 -11.773 6.485 327 QB ASP 38 QB ASP 38 20.646 -9.069 5.574 328 H ALA 39 H ALA 39 18.957 -6.924 6.498 329 HA ALA 39 HA ALA 39 19.164 -5.362 4.293 330 1HB ALA 39 2HB ALA 39 17.456 -4.284 6.476 331 2HB ALA 39 1HB ALA 39 17.211 -6.003 6.083 332 3HB ALA 39 3HB ALA 39 17.026 -4.765 4.817 333 MB ALA 39 MB ALA 39 17.231 -5.017 5.792 334 H ALA 40 H ALA 40 19.538 -4.252 7.737 335 HA ALA 40 HA ALA 40 20.176 -1.631 7.154 336 1HB ALA 40 2HB ALA 40 21.568 -2.081 9.436 337 2HB ALA 40 1HB ALA 40 20.538 -3.533 9.422 338 3HB ALA 40 3HB ALA 40 19.797 -1.915 9.392 339 MB ALA 40 MB ALA 40 20.634 -2.510 9.417 340 H ALA 41 H ALA 41 22.085 -4.609 6.896 341 HA ALA 41 HA ALA 41 24.615 -3.360 6.839 342 1HB ALA 41 3HB ALA 41 25.411 -5.503 6.382 343 2HB ALA 41 1HB ALA 41 23.865 -5.863 7.187 344 3HB ALA 41 2HB ALA 41 23.984 -5.940 5.412 345 MB ALA 41 MB ALA 41 24.420 -5.769 6.327 346 H PHE 42 H PHE 42 22.373 -4.552 4.241 347 HA PHE 42 HA PHE 42 23.975 -3.697 2.127 348 1HB PHE 42 1HB PHE 42 22.046 -5.308 2.014 349 2HB PHE 42 2HB PHE 42 20.938 -4.037 2.491 350 HD1 PHE 42 HD1 PHE 42 20.502 -2.138 0.910 351 HD2 PHE 42 HD2 PHE 42 22.694 -5.581 -0.251 352 HE1 PHE 42 HE1 PHE 42 20.120 -1.567 -1.504 353 HE2 PHE 42 HE2 PHE 42 22.312 -5.010 -2.665 354 HZ PHE 42 HZ PHE 42 21.030 -3.010 -3.263 355 QB PHE 42 QB PHE 42 21.492 -4.672 2.252 356 QD PHE 42 QD PHE 42 21.598 -3.860 0.330 357 QE PHE 42 QE PHE 42 21.216 -3.289 -2.084 358 QR PHE 42 QR PHE 42 21.407 -3.574 -0.877 359 H LEU 43 H LEU 43 21.601 -2.007 4.186 360 HA LEU 43 HA LEU 43 21.315 0.219 2.450 361 1HB LEU 43 1HB LEU 43 20.667 -0.277 5.351 362 2HB LEU 43 2HB LEU 43 20.375 1.265 4.571 363 HG LEU 43 HG LEU 43 19.205 -1.350 3.589 364 1HD1 LEU 43 1HD1 LEU 43 18.554 -0.515 5.979 365 2HD1 LEU 43 2HD1 LEU 43 17.601 0.695 5.087 366 3HD1 LEU 43 3HD1 LEU 43 17.293 -1.040 4.837 367 1HD2 LEU 43 1HD2 LEU 43 19.429 1.117 2.327 368 2HD2 LEU 43 2HD2 LEU 43 18.328 -0.211 1.891 369 3HD2 LEU 43 3HD2 LEU 43 17.765 1.098 2.957 370 MD1 LEU 43 MD1 LEU 43 17.816 -0.287 5.301 371 MD2 LEU 43 MD2 LEU 43 18.507 0.668 2.392 372 QB LEU 43 QB LEU 43 20.521 0.494 4.961 373 QD LEU 43 QD LEU 43 18.162 0.191 3.846 374 H LYS 44 H LYS 44 23.318 -0.502 5.374 375 HA LYS 44 HA LYS 44 24.481 1.964 5.669 376 1HB LYS 44 1HB LYS 44 25.332 -0.847 6.287 377 2HB LYS 44 2HB LYS 44 26.477 0.460 6.510 378 1HG LYS 44 1HG LYS 44 23.973 1.344 7.610 379 2HG LYS 44 2HG LYS 44 24.239 -0.287 8.193 380 1HD LYS 44 1HD LYS 44 26.767 1.029 8.376 381 2HD LYS 44 2HD LYS 44 25.586 2.176 8.976 382 1HE LYS 44 1HE LYS 44 26.073 0.956 10.922 383 2HE LYS 44 2HE LYS 44 24.640 0.126 10.347 384 QB LYS 44 QB LYS 44 25.905 -0.194 6.399 385 QD LYS 44 QD LYS 44 26.177 1.602 8.676 386 QG LYS 44 QG LYS 44 24.106 0.528 7.901 387 QE LYS 44 QE LYS 44 25.357 0.541 10.634 388 QZ LYS 44 QZ LYS 44 26.923 -1.100 10.348 389 H LYS 45 H LYS 45 24.787 -0.326 3.057 390 HA LYS 45 HA LYS 45 27.340 0.664 2.191 391 1HB LYS 45 1HB LYS 45 25.397 -1.043 0.623 392 2HB LYS 45 2HB LYS 45 27.129 -0.901 0.405 393 1HG LYS 45 1HG LYS 45 26.667 -1.647 3.150 394 2HG LYS 45 2HG LYS 45 25.680 -2.694 2.150 395 1HD LYS 45 1HD LYS 45 28.490 -2.235 1.206 396 2HD LYS 45 2HD LYS 45 28.315 -3.174 2.676 397 1HE LYS 45 1HE LYS 45 26.800 -4.760 1.535 398 2HE LYS 45 2HE LYS 45 26.821 -3.783 0.080 399 QB LYS 45 QB LYS 45 26.263 -0.972 0.514 400 QD LYS 45 QD LYS 45 28.403 -2.704 1.941 401 QG LYS 45 QG LYS 45 26.173 -2.170 2.650 402 QE LYS 45 QE LYS 45 26.811 -4.272 0.808 403 QZ LYS 45 QZ LYS 45 28.739 -5.065 -0.051 404 H SER 46 H SER 46 24.644 2.317 2.534 405 HA SER 46 HA SER 46 24.342 3.256 -0.156 406 1HB SER 46 2HB SER 46 22.416 3.024 1.464 407 2HB SER 46 1HB SER 46 22.533 4.599 0.707 408 HG SER 46 HG SER 46 23.108 3.839 3.407 409 QB SER 46 QB SER 46 22.474 3.812 1.085 410 H GLY 47 H GLY 47 25.153 4.758 3.067 411 1HA GLY 47 1HA GLY 47 27.458 5.959 2.690 412 2HA GLY 47 2HA GLY 47 26.456 6.980 1.677 413 QA GLY 47 QA GLY 47 26.957 6.469 2.183 414 H LEU 48 H LEU 48 23.995 6.807 3.247 415 HA LEU 48 HA LEU 48 24.497 8.886 5.054 416 1HB LEU 48 1HB LEU 48 22.182 7.187 4.280 417 2HB LEU 48 2HB LEU 48 22.074 8.046 5.804 418 HG LEU 48 HG LEU 48 22.753 10.141 4.400 419 1HD1 LEU 48 1HD1 LEU 48 23.290 8.749 2.369 420 2HD1 LEU 48 2HD1 LEU 48 21.541 8.479 2.182 421 3HD1 LEU 48 3HD1 LEU 48 22.201 10.129 2.089 422 1HD2 LEU 48 1HD2 LEU 48 20.409 9.233 5.397 423 2HD2 LEU 48 2HD2 LEU 48 20.595 10.777 4.531 424 3HD2 LEU 48 3HD2 LEU 48 20.000 9.339 3.668 425 MD1 LEU 48 MD1 LEU 48 22.344 9.119 2.213 426 MD2 LEU 48 MD2 LEU 48 20.335 9.783 4.532 427 QB LEU 48 QB LEU 48 22.128 7.617 5.042 428 QD LEU 48 QD LEU 48 21.340 9.451 3.373 429 HA PRO 49 HA PRO 49 25.412 6.816 8.728 430 1HB PRO 49 1HB PRO 49 24.165 8.297 10.657 431 2HB PRO 49 2HB PRO 49 25.672 8.779 9.903 432 1HG PRO 49 1HG PRO 49 22.953 9.849 9.457 433 2HG PRO 49 2HG PRO 49 24.497 10.573 9.054 434 1HD PRO 49 1HD PRO 49 22.678 9.292 7.244 435 2HD PRO 49 2HD PRO 49 24.272 9.913 6.864 436 QB PRO 49 QB PRO 49 24.918 8.538 10.280 437 QG PRO 49 QG PRO 49 23.725 10.211 9.256 438 QD PRO 49 QD PRO 49 23.475 9.602 7.054 439 H ASP 50 H ASP 50 24.219 6.276 11.112 440 HA ASP 50 HA ASP 50 22.231 4.415 10.139 441 1HB ASP 50 1HB ASP 50 24.256 3.767 11.621 442 2HB ASP 50 2HB ASP 50 23.435 4.586 12.935 443 HD2 ASP 50 HD2 ASP 50 20.852 2.065 12.916 444 QB ASP 50 QB ASP 50 23.845 4.176 12.278 445 H LEU 51 H LEU 51 22.745 7.289 12.155 446 HA LEU 51 HA LEU 51 20.493 7.128 13.786 447 1HB LEU 51 1HB LEU 51 21.755 8.762 14.596 448 2HB LEU 51 2HB LEU 51 22.521 9.076 13.052 449 HG LEU 51 HG LEU 51 20.610 10.472 12.370 450 1HD1 LEU 51 1HD1 LEU 51 19.494 9.543 14.992 451 2HD1 LEU 51 2HD1 LEU 51 19.067 11.158 14.377 452 3HD1 LEU 51 3HD1 LEU 51 18.704 9.711 13.406 453 1HD2 LEU 51 1HD2 LEU 51 22.130 11.115 14.881 454 2HD2 LEU 51 2HD2 LEU 51 22.330 11.757 13.233 455 3HD2 LEU 51 3HD2 LEU 51 20.941 12.264 14.224 456 MD1 LEU 51 MD1 LEU 51 19.089 10.137 14.258 457 MD2 LEU 51 MD2 LEU 51 21.800 11.712 14.113 458 QB LEU 51 QB LEU 51 22.138 8.919 13.824 459 QD LEU 51 QD LEU 51 20.444 10.925 14.185 460 H ILE 52 H ILE 52 20.923 9.150 10.791 461 HA ILE 52 HA ILE 52 18.251 9.806 10.552 462 HB ILE 52 HB ILE 52 20.450 9.566 8.502 463 1HG1 ILE 52 1HG1 ILE 52 20.507 11.221 10.530 464 2HG1 ILE 52 2HG1 ILE 52 20.960 11.764 8.926 465 1HG2 ILE 52 1HG2 ILE 52 17.704 10.812 8.202 466 2HG2 ILE 52 2HG2 ILE 52 19.050 10.985 7.051 467 3HG2 ILE 52 3HG2 ILE 52 18.329 9.384 7.342 468 1HD1 ILE 52 1HD1 ILE 52 18.078 11.993 9.841 469 2HD1 ILE 52 2HD1 ILE 52 19.280 13.217 10.316 470 3HD1 ILE 52 3HD1 ILE 52 18.932 12.934 8.594 471 MG ILE 52 MG ILE 52 18.361 10.393 7.532 472 MD ILE 52 MD ILE 52 18.763 12.715 9.584 473 QG ILE 52 QG ILE 52 20.733 11.493 9.728 474 H LEU 53 H LEU 53 20.055 6.892 9.540 475 HA LEU 53 HA LEU 53 18.058 5.855 7.869 476 1HB LEU 53 1HB LEU 53 20.547 4.936 9.142 477 2HB LEU 53 2HB LEU 53 19.379 3.668 8.828 478 HG LEU 53 HG LEU 53 20.565 5.571 6.790 479 1HD1 LEU 53 1HD1 LEU 53 21.089 2.712 7.533 480 2HD1 LEU 53 2HD1 LEU 53 21.330 3.254 5.855 481 3HD1 LEU 53 3HD1 LEU 53 22.233 4.029 7.179 482 1HD2 LEU 53 1HD2 LEU 53 18.353 3.540 6.556 483 2HD2 LEU 53 2HD2 LEU 53 18.399 5.229 5.994 484 3HD2 LEU 53 3HD2 LEU 53 19.362 3.986 5.159 485 MD1 LEU 53 MD1 LEU 53 21.551 3.332 6.856 486 MD2 LEU 53 MD2 LEU 53 18.704 4.252 5.903 487 QB LEU 53 QB LEU 53 19.963 4.302 8.985 488 QD LEU 53 QD LEU 53 20.128 3.792 6.379 489 H GLY 54 H GLY 54 18.785 5.402 11.386 490 1HA GLY 54 1HA GLY 54 17.019 3.502 12.114 491 2HA GLY 54 2HA GLY 54 17.366 4.921 13.081 492 QA GLY 54 QA GLY 54 17.192 4.211 12.598 493 H LYS 55 H LYS 55 16.252 6.990 11.479 494 HA LYS 55 HA LYS 55 13.572 6.824 12.235 495 1HB LYS 55 1HB LYS 55 15.122 8.701 10.447 496 2HB LYS 55 2HB LYS 55 13.403 8.898 10.719 497 1HG LYS 55 1HG LYS 55 14.840 8.439 13.244 498 2HG LYS 55 2HG LYS 55 15.488 9.821 12.384 499 1HD LYS 55 1HD LYS 55 13.123 10.712 12.140 500 2HD LYS 55 2HD LYS 55 12.558 9.379 13.128 501 1HE LYS 55 1HE LYS 55 14.814 11.055 14.219 502 2HE LYS 55 2HE LYS 55 13.215 11.772 14.193 503 QB LYS 55 QB LYS 55 14.262 8.800 10.583 504 QD LYS 55 QD LYS 55 12.841 10.045 12.634 505 QG LYS 55 QG LYS 55 15.164 9.130 12.814 506 QE LYS 55 QE LYS 55 14.015 11.413 14.206 507 QZ LYS 55 QZ LYS 55 13.090 10.237 15.905 508 H ILE 56 H ILE 56 15.234 6.309 9.073 509 HA ILE 56 HA ILE 56 12.945 6.008 7.539 510 HB ILE 56 HB ILE 56 15.713 4.839 7.276 511 1HG1 ILE 56 1HG1 ILE 56 14.365 7.315 6.183 512 2HG1 ILE 56 2HG1 ILE 56 15.788 7.217 7.201 513 1HG2 ILE 56 1HG2 ILE 56 13.887 3.549 6.056 514 2HG2 ILE 56 2HG2 ILE 56 13.666 5.009 5.063 515 3HG2 ILE 56 3HG2 ILE 56 15.234 4.168 5.071 516 1HD1 ILE 56 1HD1 ILE 56 16.613 5.668 5.097 517 2HD1 ILE 56 2HD1 ILE 56 15.526 6.803 4.260 518 3HD1 ILE 56 3HD1 ILE 56 16.903 7.421 5.205 519 MG ILE 56 MG ILE 56 14.262 4.242 5.397 520 MD ILE 56 MD ILE 56 16.347 6.631 4.854 521 QG ILE 56 QG ILE 56 15.076 7.266 6.692 522 H TRP 57 H TRP 57 14.934 3.503 9.256 523 HA TRP 57 HA TRP 57 13.398 1.323 8.548 524 1HB TRP 57 1HB TRP 57 15.629 1.283 9.631 525 2HB TRP 57 2HB TRP 57 14.886 1.768 11.142 526 HD1 TRP 57 HD1 TRP 57 12.750 -0.122 11.892 527 HE1 TRP 57 HE1 TRP 57 12.855 -2.757 11.976 528 HE3 TRP 57 HE3 TRP 57 16.693 -0.591 8.716 529 HZ2 TRP 57 HZ2 TRP 57 14.537 -4.699 10.733 530 HZ3 TRP 57 HZ3 TRP 57 17.505 -2.891 8.204 531 HH2 TRP 57 HH2 TRP 57 16.494 -4.903 9.155 532 QB TRP 57 QB TRP 57 15.258 1.526 10.386 533 H ASP 58 H ASP 58 13.230 3.360 11.564 534 HA ASP 58 HA ASP 58 11.119 2.187 12.726 535 1HB ASP 58 1HB ASP 58 12.586 4.456 13.172 536 2HB ASP 58 2HB ASP 58 11.069 5.185 12.683 537 HD2 ASP 58 HD2 ASP 58 9.416 4.337 15.576 538 QB ASP 58 QB ASP 58 11.827 4.821 12.928 539 H LEU 59 H LEU 59 11.229 4.323 9.875 540 HA LEU 59 HA LEU 59 8.377 4.740 9.861 541 1HB LEU 59 1HB LEU 59 9.794 6.538 9.171 542 2HB LEU 59 2HB LEU 59 10.613 5.527 7.996 543 HG LEU 59 HG LEU 59 8.838 7.234 7.196 544 1HD1 LEU 59 1HD1 LEU 59 9.974 5.446 5.841 545 2HD1 LEU 59 2HD1 LEU 59 8.573 4.399 6.173 546 3HD1 LEU 59 3HD1 LEU 59 8.354 5.919 5.273 547 1HD2 LEU 59 1HD2 LEU 59 7.193 6.067 8.958 548 2HD2 LEU 59 2HD2 LEU 59 6.621 6.850 7.465 549 3HD2 LEU 59 3HD2 LEU 59 6.815 5.081 7.524 550 MD1 LEU 59 MD1 LEU 59 8.967 5.254 5.762 551 MD2 LEU 59 MD2 LEU 59 6.876 5.999 7.983 552 QB LEU 59 QB LEU 59 10.204 6.033 8.583 553 QD LEU 59 QD LEU 59 7.922 5.627 6.872 554 H ALA 60 H ALA 60 10.806 2.573 8.441 555 HA ALA 60 HA ALA 60 8.996 1.551 6.467 556 1HB ALA 60 1HB ALA 60 11.792 0.965 7.426 557 2HB ALA 60 3HB ALA 60 11.222 1.413 5.800 558 3HB ALA 60 2HB ALA 60 10.942 -0.232 6.419 559 MB ALA 60 MB ALA 60 11.319 0.715 6.548 560 H ASP 61 H ASP 61 10.665 0.022 9.319 561 HA ASP 61 HA ASP 61 9.400 -2.270 9.449 562 1HB ASP 61 1HB ASP 61 11.054 -1.446 11.121 563 2HB ASP 61 2HB ASP 61 9.844 -0.380 11.808 564 HD2 ASP 61 HD2 ASP 61 8.639 -1.223 13.382 565 QB ASP 61 QB ASP 61 10.449 -0.913 11.464 566 H THR 62 H THR 62 7.281 -3.028 9.807 567 HA THR 62 HA THR 62 5.378 -1.504 11.288 568 HB THR 62 HB THR 62 5.297 -1.564 8.238 569 HG1 THR 62 HG1 THR 62 6.000 0.435 8.940 570 1HG2 THR 62 1HG2 THR 62 3.042 -1.570 10.210 571 2HG2 THR 62 2HG2 THR 62 2.999 -0.261 9.005 572 3HG2 THR 62 3HG2 THR 62 3.024 -1.959 8.473 573 MG THR 62 MG THR 62 3.022 -1.263 9.229 574 H ASP 63 H ASP 63 6.006 -4.133 8.906 575 HA ASP 63 HA ASP 63 3.875 -5.655 9.173 576 1HB ASP 63 1HB ASP 63 6.128 -6.149 8.006 577 2HB ASP 63 2HB ASP 63 6.679 -6.798 9.537 578 HD2 ASP 63 HD2 ASP 63 3.735 -7.716 7.404 579 QB ASP 63 QB ASP 63 6.403 -6.474 8.771 580 H GLY 64 H GLY 64 6.649 -5.458 11.512 581 1HA GLY 64 1HA GLY 64 5.843 -5.414 13.883 582 2HA GLY 64 2HA GLY 64 5.003 -6.904 13.499 583 QA GLY 64 QA GLY 64 5.423 -6.159 13.691 584 H LYS 65 H LYS 65 6.593 -8.577 12.237 585 HA LYS 65 HA LYS 65 8.483 -9.343 14.138 586 1HB LYS 65 1HB LYS 65 7.197 -10.551 12.067 587 2HB LYS 65 2HB LYS 65 8.795 -10.366 11.374 588 1HG LYS 65 1HG LYS 65 9.092 -11.245 14.117 589 2HG LYS 65 2HG LYS 65 7.920 -12.285 13.331 590 1HD LYS 65 1HD LYS 65 9.467 -13.144 11.828 591 2HD LYS 65 2HD LYS 65 10.380 -11.651 11.740 592 1HE LYS 65 1HE LYS 65 10.755 -12.410 14.398 593 2HE LYS 65 2HE LYS 65 10.716 -13.957 13.575 594 QB LYS 65 QB LYS 65 7.996 -10.459 11.720 595 QD LYS 65 QD LYS 65 9.924 -12.398 11.784 596 QG LYS 65 QG LYS 65 8.506 -11.765 13.724 597 QE LYS 65 QE LYS 65 10.736 -13.184 13.986 598 QZ LYS 65 QZ LYS 65 12.795 -12.815 13.214 599 H GLY 66 H GLY 66 10.843 -9.519 13.914 600 1HA GLY 66 1HA GLY 66 12.071 -7.095 13.367 601 2HA GLY 66 2HA GLY 66 12.876 -8.643 13.531 602 QA GLY 66 QA GLY 66 12.473 -7.869 13.449 603 H VAL 67 H VAL 67 11.744 -10.070 11.323 604 HA VAL 67 HA VAL 67 13.431 -9.354 9.285 605 HB VAL 67 HB VAL 67 11.008 -11.054 9.579 606 1HG1 VAL 67 1HG1 VAL 67 10.683 -9.923 7.388 607 2HG1 VAL 67 2HG1 VAL 67 12.275 -10.527 6.871 608 3HG1 VAL 67 3HG1 VAL 67 10.964 -11.674 7.235 609 1HG2 VAL 67 1HG2 VAL 67 13.654 -11.503 9.931 610 2HG2 VAL 67 2HG2 VAL 67 12.486 -12.772 9.492 611 3HG2 VAL 67 3HG2 VAL 67 13.478 -12.001 8.231 612 MG1 VAL 67 MG1 VAL 67 11.307 -10.708 7.164 613 MG2 VAL 67 MG2 VAL 67 13.206 -12.092 9.218 614 QG VAL 67 QG VAL 67 12.256 -11.400 8.191 615 H LEU 68 H LEU 68 12.766 -8.663 6.997 616 HA LEU 68 HA LEU 68 11.081 -6.292 7.287 617 1HB LEU 68 1HB LEU 68 13.203 -7.039 5.272 618 2HB LEU 68 2HB LEU 68 12.205 -5.602 5.162 619 HG LEU 68 HG LEU 68 14.162 -6.248 7.385 620 1HD1 LEU 68 1HD1 LEU 68 14.287 -4.223 5.135 621 2HD1 LEU 68 2HD1 LEU 68 15.434 -4.328 6.492 622 3HD1 LEU 68 3HD1 LEU 68 15.303 -5.671 5.331 623 1HD2 LEU 68 1HD2 LEU 68 12.097 -4.105 7.086 624 2HD2 LEU 68 2HD2 LEU 68 12.628 -4.995 8.533 625 3HD2 LEU 68 3HD2 LEU 68 13.650 -3.704 7.857 626 MD1 LEU 68 MD1 LEU 68 15.008 -4.740 5.653 627 MD2 LEU 68 MD2 LEU 68 12.792 -4.268 7.825 628 QB LEU 68 QB LEU 68 12.704 -6.321 5.217 629 QD LEU 68 QD LEU 68 13.900 -4.504 6.739 630 H SER 69 H SER 69 9.714 -5.715 5.326 631 HA SER 69 HA SER 69 8.366 -8.147 4.526 632 1HB SER 69 2HB SER 69 6.436 -6.810 4.155 633 2HB SER 69 1HB SER 69 7.370 -5.339 3.974 634 HG SER 69 HG SER 69 6.219 -5.584 6.065 635 QB SER 69 QB SER 69 6.903 -6.074 4.064 636 H LYS 70 H LYS 70 7.110 -6.418 2.250 637 HA LYS 70 HA LYS 70 9.253 -6.974 0.345 638 1HB LYS 70 1HB LYS 70 7.217 -6.621 -1.273 639 2HB LYS 70 2HB LYS 70 7.423 -8.131 -0.407 640 1HG LYS 70 1HG LYS 70 5.835 -5.922 0.910 641 2HG LYS 70 2HG LYS 70 5.082 -6.833 -0.384 642 1HD LYS 70 1HD LYS 70 6.314 -8.789 1.264 643 2HD LYS 70 2HD LYS 70 5.604 -7.642 2.382 644 1HE LYS 70 1HE LYS 70 3.464 -8.252 1.840 645 2HE LYS 70 2HE LYS 70 3.805 -8.278 0.121 646 QB LYS 70 QB LYS 70 7.320 -7.376 -0.840 647 QD LYS 70 QD LYS 70 5.959 -8.216 1.823 648 QG LYS 70 QG LYS 70 5.458 -6.377 0.263 649 QE LYS 70 QE LYS 70 3.635 -8.265 0.980 650 QZ LYS 70 QZ LYS 70 4.588 -10.448 1.456 651 H GLN 71 H GLN 71 6.616 -4.734 -0.376 652 HA GLN 71 HA GLN 71 8.121 -2.841 -1.484 653 1HB GLN 71 1HB GLN 71 6.244 -1.223 -0.841 654 2HB GLN 71 2HB GLN 71 5.746 -2.686 -1.667 655 1HG GLN 71 2HG GLN 71 5.522 -3.644 0.820 656 2HG GLN 71 1HG GLN 71 4.228 -2.712 0.092 657 2HE2 GLN 71 1HE2 GLN 71 3.597 -2.255 2.268 658 1HE2 GLN 71 2HE2 GLN 71 4.340 -0.971 3.163 659 QB GLN 71 QB GLN 71 5.995 -1.954 -1.254 660 QG GLN 71 QG GLN 71 4.875 -3.178 0.456 661 QE GLN 71 QE GLN 71 3.968 -1.613 2.716 662 H GLU 72 H GLU 72 7.677 -3.441 1.989 663 HA GLU 72 HA GLU 72 8.347 -1.086 3.084 664 1HB GLU 72 1HB GLU 72 9.210 -3.890 3.907 665 2HB GLU 72 2HB GLU 72 9.432 -2.484 4.930 666 1HG GLU 72 1HG GLU 72 6.715 -3.271 3.787 667 2HG GLU 72 2HG GLU 72 7.292 -3.856 5.335 668 HE2 GLU 72 HE2 GLU 72 5.195 -0.994 4.973 669 QB GLU 72 QB GLU 72 9.321 -3.187 4.418 670 QG GLU 72 QG GLU 72 7.003 -3.564 4.561 671 H PHE 73 H PHE 73 10.876 -3.672 2.761 672 HA PHE 73 HA PHE 73 13.033 -2.041 3.050 673 1HB PHE 73 1HB PHE 73 13.361 -4.418 3.025 674 2HB PHE 73 2HB PHE 73 12.383 -4.628 1.586 675 HD1 PHE 73 HD1 PHE 73 13.346 -3.884 -0.643 676 HD2 PHE 73 HD2 PHE 73 15.701 -4.217 2.872 677 HE1 PHE 73 HE1 PHE 73 15.426 -3.968 -2.045 678 HE2 PHE 73 HE2 PHE 73 17.781 -4.300 1.470 679 HZ PHE 73 HZ PHE 73 17.619 -4.175 -0.972 680 QB PHE 73 QB PHE 73 12.872 -4.523 2.306 681 QD PHE 73 QD PHE 73 14.523 -4.051 1.115 682 QE PHE 73 QE PHE 73 16.604 -4.134 -0.287 683 QR PHE 73 QR PHE 73 15.563 -4.092 0.414 684 H PHE 74 H PHE 74 11.236 -2.848 0.022 685 HA PHE 74 HA PHE 74 12.988 -1.670 -1.761 686 1HB PHE 74 1HB PHE 74 10.156 -2.555 -1.545 687 2HB PHE 74 2HB PHE 74 10.327 -1.219 -2.666 688 HD1 PHE 74 HD1 PHE 74 11.898 -4.515 -1.890 689 HD2 PHE 74 HD2 PHE 74 10.840 -1.686 -4.870 690 HE1 PHE 74 HE1 PHE 74 12.660 -6.109 -3.674 691 HE2 PHE 74 HE2 PHE 74 11.601 -3.279 -6.654 692 HZ PHE 74 HZ PHE 74 12.502 -5.471 -6.034 693 QB PHE 74 QB PHE 74 10.241 -1.887 -2.106 694 QD PHE 74 QD PHE 74 11.369 -3.101 -3.380 695 QE PHE 74 QE PHE 74 12.131 -4.694 -5.164 696 QR PHE 74 QR PHE 74 11.750 -3.897 -4.272 697 H VAL 75 H VAL 75 10.699 -0.233 0.521 698 HA VAL 75 HA VAL 75 10.626 2.294 -0.831 699 HB VAL 75 HB VAL 75 9.342 0.967 1.412 700 1HG1 VAL 75 1HG1 VAL 75 10.321 3.802 1.786 701 2HG1 VAL 75 2HG1 VAL 75 8.851 3.200 2.590 702 3HG1 VAL 75 3HG1 VAL 75 10.421 2.426 2.910 703 1HG2 VAL 75 1HG2 VAL 75 8.311 1.774 -0.749 704 2HG2 VAL 75 2HG2 VAL 75 7.453 2.261 0.732 705 3HG2 VAL 75 3HG2 VAL 75 8.481 3.433 -0.127 706 MG1 VAL 75 MG1 VAL 75 9.864 3.143 2.428 707 MG2 VAL 75 MG2 VAL 75 8.082 2.489 -0.048 708 QG VAL 75 QG VAL 75 8.973 2.816 1.190 709 H ALA 76 H ALA 76 11.953 1.167 2.367 710 HA ALA 76 HA ALA 76 13.304 3.378 3.093 711 1HB ALA 76 2HB ALA 76 15.063 1.426 3.838 712 2HB ALA 76 1HB ALA 76 13.619 0.450 3.478 713 3HB ALA 76 3HB ALA 76 13.531 1.760 4.680 714 MB ALA 76 MB ALA 76 14.071 1.212 3.999 715 H LEU 77 H LEU 77 14.063 1.152 0.430 716 HA LEU 77 HA LEU 77 16.727 1.873 0.054 717 1HB LEU 77 1HB LEU 77 14.812 0.214 -1.149 718 2HB LEU 77 2HB LEU 77 15.340 1.303 -2.416 719 HG LEU 77 HG LEU 77 16.995 -0.646 -0.814 720 1HD1 LEU 77 1HD1 LEU 77 16.449 -0.280 -3.770 721 2HD1 LEU 77 2HD1 LEU 77 17.655 -1.407 -3.103 722 3HD1 LEU 77 3HD1 LEU 77 15.929 -1.622 -2.722 723 1HD2 LEU 77 1HD2 LEU 77 17.882 1.831 -2.229 724 2HD2 LEU 77 2HD2 LEU 77 18.520 1.055 -0.760 725 3HD2 LEU 77 3HD2 LEU 77 18.887 0.368 -2.360 726 MD1 LEU 77 MD1 LEU 77 16.678 -1.103 -3.198 727 MD2 LEU 77 MD2 LEU 77 18.430 1.085 -1.783 728 QB LEU 77 QB LEU 77 15.076 0.758 -1.783 729 QD LEU 77 QD LEU 77 17.554 -0.009 -2.491 730 H ARG 78 H ARG 78 13.968 2.924 -2.060 731 HA ARG 78 HA ARG 78 15.377 5.028 -3.114 732 1HB ARG 78 1HB ARG 78 12.391 4.479 -2.837 733 2HB ARG 78 2HB ARG 78 12.974 5.906 -3.669 734 1HG ARG 78 1HG ARG 78 13.707 3.026 -4.382 735 2HG ARG 78 2HG ARG 78 12.551 4.019 -5.247 736 1HD ARG 78 1HD ARG 78 14.344 4.590 -6.557 737 2HD ARG 78 2HD ARG 78 14.742 5.692 -5.254 738 HE ARG 78 HE ARG 78 15.966 3.445 -4.363 739 1HH1 ARG 78 1HH1 ARG 78 15.944 4.881 -7.602 740 2HH1 ARG 78 2HH1 ARG 78 17.509 4.268 -8.020 741 2HH2 ARG 78 HH2 ARG 78 18.718 2.951 -6.424 742 QB ARG 78 QB ARG 78 12.683 5.192 -3.253 743 QG ARG 78 QG ARG 78 13.129 3.522 -4.815 744 QD ARG 78 QD ARG 78 14.543 5.141 -5.905 745 QH1 ARG 78 QH1 ARG 78 16.727 4.575 -7.811 746 H LEU 79 H LEU 79 13.819 4.644 -0.014 747 HA LEU 79 HA LEU 79 13.116 7.301 0.507 748 1HB LEU 79 1HB LEU 79 12.751 4.931 1.734 749 2HB LEU 79 2HB LEU 79 14.041 5.574 2.730 750 HG LEU 79 HG LEU 79 11.394 6.948 2.185 751 1HD1 LEU 79 1HD1 LEU 79 11.968 4.813 3.919 752 2HD1 LEU 79 2HD1 LEU 79 11.881 6.264 4.946 753 3HD1 LEU 79 3HD1 LEU 79 10.512 5.837 3.891 754 1HD2 LEU 79 1HD2 LEU 79 13.783 7.751 3.851 755 2HD2 LEU 79 2HD2 LEU 79 12.986 8.655 2.541 756 3HD2 LEU 79 3HD2 LEU 79 12.156 8.429 4.100 757 MD1 LEU 79 MD1 LEU 79 11.453 5.638 4.252 758 MD2 LEU 79 MD2 LEU 79 12.975 8.278 3.498 759 QB LEU 79 QB LEU 79 13.396 5.253 2.232 760 QD LEU 79 QD LEU 79 12.214 6.958 3.875 761 H VAL 80 H VAL 80 16.173 5.443 0.951 762 HA VAL 80 HA VAL 80 17.542 7.441 2.334 763 HB VAL 80 HB VAL 80 18.507 5.238 0.502 764 1HG1 VAL 80 1HG1 VAL 80 19.979 7.401 1.585 765 2HG1 VAL 80 2HG1 VAL 80 20.396 5.965 2.551 766 3HG1 VAL 80 3HG1 VAL 80 20.604 5.940 0.783 767 1HG2 VAL 80 1HG2 VAL 80 17.136 4.917 2.804 768 2HG2 VAL 80 2HG2 VAL 80 18.412 3.802 2.260 769 3HG2 VAL 80 3HG2 VAL 80 18.785 5.065 3.457 770 MG1 VAL 80 MG1 VAL 80 20.327 6.435 1.640 771 MG2 VAL 80 MG2 VAL 80 18.111 4.595 2.841 772 QG VAL 80 QG VAL 80 19.219 5.515 2.240 773 H ALA 81 H ALA 81 16.944 6.865 -1.152 774 HA ALA 81 HA ALA 81 18.815 8.672 -2.145 775 1HB ALA 81 1HB ALA 81 16.839 6.937 -3.127 776 2HB ALA 81 3HB ALA 81 17.960 7.928 -4.091 777 3HB ALA 81 2HB ALA 81 16.341 8.550 -3.690 778 MB ALA 81 MB ALA 81 17.046 7.805 -3.636 779 H CYS 82 H CYS 82 15.879 9.146 -0.331 780 HA CYS 82 HA CYS 82 15.331 11.742 -1.365 781 1HB CYS 82 1HB CYS 82 13.707 10.057 -0.214 782 2HB CYS 82 2HB CYS 82 14.328 10.714 1.287 783 HG CYS 82 HG CYS 82 13.549 12.758 -0.866 784 QB CYS 82 QB CYS 82 14.017 10.385 0.536 785 H ALA 83 H ALA 83 16.150 10.677 2.019 786 HA ALA 83 HA ALA 83 17.001 13.077 2.963 787 1HB ALA 83 3HB ALA 83 16.904 11.529 4.639 788 2HB ALA 83 2HB ALA 83 18.642 11.363 4.293 789 3HB ALA 83 1HB ALA 83 17.482 10.208 3.595 790 MB ALA 83 MB ALA 83 17.676 11.033 4.176 791 H GLN 84 H GLN 84 18.574 10.950 0.635 792 HA GLN 84 HA GLN 84 21.180 11.646 0.961 793 1HB GLN 84 1HB GLN 84 19.499 10.833 -1.402 794 2HB GLN 84 2HB GLN 84 21.135 11.381 -1.709 795 1HG GLN 84 1HG GLN 84 21.001 9.495 0.558 796 2HG GLN 84 2HG GLN 84 20.376 8.794 -0.922 797 2HE2 GLN 84 1HE2 GLN 84 22.500 7.613 -0.035 798 1HE2 GLN 84 2HE2 GLN 84 23.946 8.015 -0.900 799 QB GLN 84 QB GLN 84 20.317 11.107 -1.555 800 QG GLN 84 QG GLN 84 20.688 9.144 -0.182 801 QE GLN 84 QE GLN 84 23.223 7.814 -0.467 802 H ASN 85 H ASN 85 18.492 13.509 -0.457 803 HA ASN 85 HA ASN 85 20.387 15.559 -1.243 804 1HB ASN 85 1HB ASN 85 18.113 14.567 -2.511 805 2HB ASN 85 2HB ASN 85 17.476 16.004 -1.735 806 2HD2 ASN 85 1HD2 ASN 85 17.869 17.947 -2.557 807 1HD2 ASN 85 2HD2 ASN 85 18.906 18.298 -3.899 808 QB ASN 85 QB ASN 85 17.795 15.285 -2.123 809 QD ASN 85 QD ASN 85 18.387 18.122 -3.228 810 H GLY 86 H GLY 86 19.538 14.833 1.603 811 1HA GLY 86 1HA GLY 86 19.133 15.963 3.509 812 2HA GLY 86 2HA GLY 86 19.142 17.458 2.595 813 QA GLY 86 QA GLY 86 19.138 16.711 3.052 814 H LEU 87 H LEU 87 16.964 15.009 1.386 815 HA LEU 87 HA LEU 87 14.726 16.670 2.046 816 1HB LEU 87 1HB LEU 87 15.028 14.063 0.559 817 2HB LEU 87 2HB LEU 87 13.479 14.837 0.830 818 HG LEU 87 HG LEU 87 15.781 16.195 -0.591 819 1HD1 LEU 87 1HD1 LEU 87 15.134 14.149 -1.797 820 2HD1 LEU 87 2HD1 LEU 87 13.448 14.718 -1.840 821 3HD1 LEU 87 3HD1 LEU 87 14.717 15.626 -2.698 822 1HD2 LEU 87 1HD2 LEU 87 13.311 17.152 0.412 823 2HD2 LEU 87 2HD2 LEU 87 14.506 18.007 -0.593 824 3HD2 LEU 87 3HD2 LEU 87 13.177 17.108 -1.363 825 MD1 LEU 87 MD1 LEU 87 14.433 14.831 -2.112 826 MD2 LEU 87 MD2 LEU 87 13.664 17.422 -0.515 827 QB LEU 87 QB LEU 87 14.254 14.450 0.695 828 QD LEU 87 QD LEU 87 14.049 16.127 -1.313 829 H GLU 88 H GLU 88 12.683 15.617 2.997 830 HA GLU 88 HA GLU 88 13.163 14.950 5.575 831 1HB GLU 88 1HB GLU 88 10.935 15.466 4.078 832 2HB GLU 88 2HB GLU 88 10.712 13.751 4.357 833 1HG GLU 88 1HG GLU 88 9.646 15.160 6.136 834 2HG GLU 88 2HG GLU 88 10.843 14.054 6.782 835 HE2 GLU 88 HE2 GLU 88 12.478 17.328 5.734 836 QB GLU 88 QB GLU 88 10.823 14.608 4.217 837 QG GLU 88 QG GLU 88 10.244 14.607 6.459 838 H VAL 89 H VAL 89 12.593 12.844 6.753 839 HA VAL 89 HA VAL 89 13.735 10.615 5.222 840 HB VAL 89 HB VAL 89 13.564 10.802 8.218 841 1HG1 VAL 89 1HG1 VAL 89 15.091 9.175 6.207 842 2HG1 VAL 89 2HG1 VAL 89 15.795 9.466 7.816 843 3HG1 VAL 89 3HG1 VAL 89 14.217 8.654 7.668 844 1HG2 VAL 89 1HG2 VAL 89 14.651 12.872 7.426 845 2HG2 VAL 89 2HG2 VAL 89 15.791 11.803 8.278 846 3HG2 VAL 89 3HG2 VAL 89 15.817 11.897 6.501 847 MG1 VAL 89 MG1 VAL 89 15.034 9.098 7.231 848 MG2 VAL 89 MG2 VAL 89 15.420 12.190 7.402 849 QG VAL 89 QG VAL 89 15.227 10.644 7.316 850 H SER 90 H SER 90 10.842 11.927 6.479 851 HA SER 90 HA SER 90 9.709 9.317 6.976 852 1HB SER 90 1HB SER 90 8.347 12.036 7.167 853 2HB SER 90 2HB SER 90 7.773 10.524 7.841 854 HG SER 90 HG SER 90 10.351 11.117 8.700 855 QB SER 90 QB SER 90 8.060 11.280 7.504 856 H LEU 91 H LEU 91 7.979 8.436 5.712 857 HA LEU 91 HA LEU 91 8.071 8.968 2.995 858 1HB LEU 91 1HB LEU 91 6.525 7.296 4.838 859 2HB LEU 91 2HB LEU 91 5.631 7.763 3.405 860 HG LEU 91 HG LEU 91 8.359 6.445 3.348 861 1HD1 LEU 91 1HD1 LEU 91 6.132 5.202 4.240 862 2HD1 LEU 91 2HD1 LEU 91 5.971 4.919 2.490 863 3HD1 LEU 91 3HD1 LEU 91 7.438 4.387 3.346 864 1HD2 LEU 91 1HD2 LEU 91 6.765 7.738 1.333 865 2HD2 LEU 91 2HD2 LEU 91 8.381 7.004 1.203 866 3HD2 LEU 91 3HD2 LEU 91 6.928 6.006 0.958 867 MD1 LEU 91 MD1 LEU 91 6.514 4.836 3.359 868 MD2 LEU 91 MD2 LEU 91 7.358 6.916 1.164 869 QB LEU 91 QB LEU 91 6.078 7.530 4.121 870 QD LEU 91 QD LEU 91 6.936 5.876 2.262 871 H SER 92 H SER 92 6.308 10.526 5.612 872 HA SER 92 HA SER 92 4.178 11.542 4.257 873 1HB SER 92 1HB SER 92 5.692 12.189 6.697 874 2HB SER 92 2HB SER 92 4.980 13.617 5.972 875 HG SER 92 HG SER 92 3.344 12.854 7.240 876 QB SER 92 QB SER 92 5.336 12.903 6.335 877 H SER 93 H SER 93 7.574 12.189 3.837 878 HA SER 93 HA SER 93 6.868 14.493 2.192 879 1HB SER 93 1HB SER 93 8.792 14.270 4.333 880 2HB SER 93 2HB SER 93 9.670 14.534 2.839 881 HG SER 93 HG SER 93 7.717 16.256 2.627 882 QB SER 93 QB SER 93 9.231 14.402 3.586 883 H LEU 94 H LEU 94 6.802 11.679 1.395 884 HA LEU 94 HA LEU 94 9.134 11.597 -0.390 885 1HB LEU 94 1HB LEU 94 7.660 9.513 1.127 886 2HB LEU 94 2HB LEU 94 8.209 9.084 -0.481 887 HG LEU 94 HG LEU 94 9.813 8.394 1.216 888 1HD1 LEU 94 1HD1 LEU 94 10.450 10.201 -0.987 889 2HD1 LEU 94 2HD1 LEU 94 11.711 10.169 0.269 890 3HD1 LEU 94 3HD1 LEU 94 11.195 8.656 -0.513 891 1HD2 LEU 94 1HD2 LEU 94 9.324 11.059 2.263 892 2HD2 LEU 94 2HD2 LEU 94 10.044 9.633 3.048 893 3HD2 LEU 94 3HD2 LEU 94 11.064 10.728 2.085 894 MD1 LEU 94 MD1 LEU 94 11.119 9.675 -0.410 895 MD2 LEU 94 MD2 LEU 94 10.144 10.473 2.465 896 QB LEU 94 QB LEU 94 7.935 9.299 0.323 897 QD LEU 94 QD LEU 94 10.631 10.074 1.028 898 H SER 95 H SER 95 8.361 9.987 -2.389 899 HA SER 95 HA SER 95 7.045 9.699 -4.115 900 1HB SER 95 1HB SER 95 4.754 9.875 -3.962 901 2HB SER 95 2HB SER 95 5.128 10.019 -2.256 902 HG SER 95 HG SER 95 4.541 12.138 -4.131 903 QB SER 95 QB SER 95 4.941 9.947 -3.109 904 H LEU 96 H LEU 96 8.937 11.971 -3.591 905 HA LEU 96 HA LEU 96 7.790 13.941 -5.443 906 1HB LEU 96 1HB LEU 96 10.169 14.574 -3.777 907 2HB LEU 96 2HB LEU 96 8.892 15.619 -4.367 908 HG LEU 96 HG LEU 96 8.278 13.559 -2.264 909 1HD1 LEU 96 1HD1 LEU 96 9.644 16.220 -1.814 910 2HD1 LEU 96 2HD1 LEU 96 8.757 15.340 -0.546 911 3HD1 LEU 96 3HD1 LEU 96 10.186 14.601 -1.309 912 1HD2 LEU 96 1HD2 LEU 96 6.461 14.827 -3.410 913 2HD2 LEU 96 2HD2 LEU 96 6.517 15.066 -1.647 914 3HD2 LEU 96 3HD2 LEU 96 7.143 16.327 -2.736 915 MD1 LEU 96 MD1 LEU 96 9.529 15.387 -1.223 916 MD2 LEU 96 MD2 LEU 96 6.707 15.407 -2.598 917 QB LEU 96 QB LEU 96 9.530 15.097 -4.072 918 QD LEU 96 QD LEU 96 8.118 15.397 -1.910 919 H ALA 97 H ALA 97 10.318 15.168 -6.085 920 HA ALA 97 HA ALA 97 11.252 13.156 -7.955 921 1HB ALA 97 2HB ALA 97 12.205 16.019 -7.782 922 2HB ALA 97 1HB ALA 97 10.600 15.637 -8.450 923 3HB ALA 97 3HB ALA 97 12.063 14.966 -9.209 924 MB ALA 97 MB ALA 97 11.622 15.541 -8.480 925 H VAL 98 H VAL 98 12.027 12.077 -5.721 926 HA VAL 98 HA VAL 98 14.309 13.154 -4.496 927 HB VAL 98 HB VAL 98 14.515 10.994 -3.469 928 1HG1 VAL 98 1HG1 VAL 98 12.373 12.620 -3.190 929 2HG1 VAL 98 2HG1 VAL 98 11.551 11.109 -3.647 930 3HG1 VAL 98 3HG1 VAL 98 12.622 11.145 -2.225 931 1HG2 VAL 98 1HG2 VAL 98 12.646 10.036 -5.656 932 2HG2 VAL 98 2HG2 VAL 98 14.308 9.493 -5.320 933 3HG2 VAL 98 3HG2 VAL 98 12.997 9.106 -4.179 934 MG1 VAL 98 MG1 VAL 98 12.182 11.625 -3.021 935 MG2 VAL 98 MG2 VAL 98 13.317 9.545 -5.052 936 QG VAL 98 QG VAL 98 12.750 10.585 -4.036 937 HA PRO 99 HA PRO 99 17.307 12.213 -7.475 938 1HB PRO 99 1HB PRO 99 19.567 12.559 -5.977 939 2HB PRO 99 2HB PRO 99 18.688 13.888 -6.706 940 1HG PRO 99 1HG PRO 99 18.760 13.045 -3.873 941 2HG PRO 99 2HG PRO 99 18.252 14.580 -4.549 942 1HD PRO 99 1HD PRO 99 16.550 12.484 -3.581 943 2HD PRO 99 2HD PRO 99 16.044 13.969 -4.363 944 QB PRO 99 QB PRO 99 19.127 13.223 -6.342 945 QG PRO 99 QG PRO 99 18.506 13.813 -4.211 946 QD PRO 99 QD PRO 99 16.297 13.226 -3.972 947 HA PRO 100 HA PRO 100 18.709 8.217 -7.148 948 1HB PRO 100 1HB PRO 100 21.152 8.167 -8.372 949 2HB PRO 100 2HB PRO 100 19.638 8.177 -9.254 950 1HG PRO 100 2HG PRO 100 20.297 10.237 -10.056 951 2HG PRO 100 1HG PRO 100 21.568 10.382 -8.857 952 1HD PRO 100 1HD PRO 100 20.243 11.847 -7.682 953 2HD PRO 100 2HD PRO 100 18.930 11.612 -8.820 954 QB PRO 100 QB PRO 100 20.395 8.172 -8.813 955 QG PRO 100 QG PRO 100 20.933 10.309 -9.456 956 QD PRO 100 QD PRO 100 19.586 11.729 -8.251 957 HA PRO 101 HA PRO 101 21.010 7.717 -3.611 958 1HB PRO 101 1HB PRO 101 21.071 4.990 -3.435 959 2HB PRO 101 2HB PRO 101 19.711 5.955 -2.896 960 1HG PRO 101 2HG PRO 101 18.506 4.908 -4.561 961 2HG PRO 101 1HG PRO 101 19.956 4.294 -5.329 962 1HD PRO 101 1HD PRO 101 19.755 5.928 -6.933 963 2HD PRO 101 2HD PRO 101 18.373 6.611 -6.100 964 QB PRO 101 QB PRO 101 20.391 5.473 -3.165 965 QG PRO 101 QG PRO 101 19.231 4.601 -4.945 966 QD PRO 101 QD PRO 101 19.064 6.270 -6.516 967 H ARG 102 H ARG 102 22.804 5.717 -2.900 968 HA ARG 102 HA ARG 102 24.916 6.509 -4.712 969 1HB ARG 102 1HB ARG 102 24.827 6.578 -1.974 970 2HB ARG 102 2HB ARG 102 25.535 4.990 -2.196 971 1HG ARG 102 1HG ARG 102 26.738 7.077 -3.934 972 2HG ARG 102 2HG ARG 102 26.939 7.391 -2.221 973 1HD ARG 102 1HD ARG 102 27.699 4.877 -2.066 974 2HD ARG 102 2HD ARG 102 27.877 4.972 -3.807 975 HE ARG 102 HE ARG 102 29.246 7.203 -2.986 976 1HH1 ARG 102 1HH1 ARG 102 29.401 3.819 -1.948 977 2HH1 ARG 102 2HH1 ARG 102 31.072 3.903 -1.502 978 2HH2 ARG 102 HH2 ARG 102 32.257 5.968 -1.774 979 QB ARG 102 QB ARG 102 25.181 5.784 -2.085 980 QG ARG 102 QG ARG 102 26.838 7.234 -3.077 981 QD ARG 102 QD ARG 102 27.788 4.925 -2.937 982 QH1 ARG 102 QH1 ARG 102 30.236 3.861 -1.725 983 H PHE 103 H PHE 103 23.108 3.726 -3.437 984 HA PHE 103 HA PHE 103 24.667 1.603 -3.842 985 1HB PHE 103 1HB PHE 103 21.857 1.872 -5.046 986 2HB PHE 103 2HB PHE 103 22.551 0.434 -4.323 987 HD1 PHE 103 HD1 PHE 103 23.250 0.723 -1.777 988 HD2 PHE 103 HD2 PHE 103 20.388 3.128 -3.785 989 HE1 PHE 103 HE1 PHE 103 22.217 1.333 0.427 990 HE2 PHE 103 HE2 PHE 103 19.355 3.739 -1.580 991 HZ PHE 103 HZ PHE 103 20.282 2.834 0.499 992 QB PHE 103 QB PHE 103 22.204 1.153 -4.685 993 QD PHE 103 QD PHE 103 21.819 1.925 -2.781 994 QE PHE 103 QE PHE 103 20.786 2.536 -0.577 995 QR PHE 103 QR PHE 103 21.303 2.231 -1.679 996 H HIS 104 H HIS 104 24.736 -0.031 -5.686 997 HA HIS 104 HA HIS 104 25.765 1.270 -7.965 998 1HB HIS 104 1HB HIS 104 25.963 -1.247 -6.778 999 2HB HIS 104 2HB HIS 104 25.163 -1.567 -8.304 1000 HD1 HIS 104 HD1 HIS 104 27.187 -2.688 -9.422 1001 HD2 HIS 104 HD2 HIS 104 27.969 1.199 -8.054 1002 HE1 HIS 104 HE1 HIS 104 29.451 -2.029 -10.397 1003 QB HIS 104 QB HIS 104 25.563 -1.407 -7.541 1004 H ASP 105 H ASP 105 22.592 0.739 -6.950 1005 HA ASP 105 HA ASP 105 21.611 1.483 -9.481 1006 1HB ASP 105 1HB ASP 105 21.769 -1.331 -8.928 1007 2HB ASP 105 2HB ASP 105 20.077 -0.891 -8.804 1008 HD2 ASP 105 HD2 ASP 105 21.436 -2.454 -10.869 1009 QB ASP 105 QB ASP 105 20.923 -1.111 -8.866 No H/Q in entry = 1009 Start of MODEL 25 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.655 0.783 -1.878 3 1HB LEU 7 1HB LEU 7 3.951 -0.360 -0.283 4 2HB LEU 7 2HB LEU 7 4.089 0.240 -1.923 5 HG LEU 7 HG LEU 7 3.093 1.963 0.354 6 1HD1 LEU 7 1HD1 LEU 7 5.868 1.174 -0.363 7 2HD1 LEU 7 2HD1 LEU 7 5.580 2.891 0.005 8 3HD1 LEU 7 3HD1 LEU 7 5.168 1.643 1.205 9 1HD2 LEU 7 1HD2 LEU 7 3.078 2.353 -2.397 10 2HD2 LEU 7 2HD2 LEU 7 2.899 3.601 -1.140 11 3HD2 LEU 7 3HD2 LEU 7 4.502 3.263 -1.837 12 MD1 LEU 7 MD1 LEU 7 5.539 1.903 0.283 13 MD2 LEU 7 MD2 LEU 7 3.493 3.072 -1.791 14 QB LEU 7 QB LEU 7 4.020 -0.060 -1.103 15 QD LEU 7 QD LEU 7 4.516 2.487 -0.754 16 H SER 8 H SER 8 3.344 -0.883 -3.324 17 HA SER 8 HA SER 8 2.289 -3.542 -3.049 18 1HB SER 8 1HB SER 8 1.516 -1.645 -5.238 19 2HB SER 8 2HB SER 8 1.874 -3.290 -5.724 20 HG SER 8 HG SER 8 -0.410 -2.880 -5.155 21 QB SER 8 QB SER 8 1.695 -2.468 -5.481 22 H LEU 9 H LEU 9 3.241 -4.832 -5.206 23 HA LEU 9 HA LEU 9 6.071 -4.477 -4.950 24 1HB LEU 9 1HB LEU 9 4.443 -6.407 -6.610 25 2HB LEU 9 2HB LEU 9 6.178 -6.478 -6.370 26 HG LEU 9 HG LEU 9 3.965 -7.090 -4.438 27 1HD1 LEU 9 1HD1 LEU 9 5.778 -8.602 -5.961 28 2HD1 LEU 9 2HD1 LEU 9 6.331 -8.733 -4.274 29 3HD1 LEU 9 3HD1 LEU 9 4.662 -9.179 -4.700 30 1HD2 LEU 9 1HD2 LEU 9 6.712 -6.081 -3.728 31 2HD2 LEU 9 2HD2 LEU 9 5.129 -5.624 -3.054 32 3HD2 LEU 9 3HD2 LEU 9 5.837 -7.210 -2.666 33 MD1 LEU 9 MD1 LEU 9 5.590 -8.838 -4.979 34 MD2 LEU 9 MD2 LEU 9 5.893 -6.305 -3.149 35 QB LEU 9 QB LEU 9 5.311 -6.442 -6.490 36 QD LEU 9 QD LEU 9 5.741 -7.572 -4.064 37 H THR 10 H THR 10 3.514 -3.783 -7.345 38 HA THR 10 HA THR 10 5.059 -3.352 -9.585 39 HB THR 10 HB THR 10 2.498 -2.091 -8.500 40 HG1 THR 10 HG1 THR 10 3.299 -3.970 -10.612 41 1HG2 THR 10 1HG2 THR 10 3.621 -0.560 -10.220 42 2HG2 THR 10 2HG2 THR 10 3.583 -1.929 -11.357 43 3HG2 THR 10 3HG2 THR 10 2.061 -1.236 -10.749 44 MG THR 10 MG THR 10 3.088 -1.242 -10.775 45 H GLN 11 H GLN 11 4.230 -0.967 -6.984 46 HA GLN 11 HA GLN 11 5.824 1.013 -8.185 47 1HB GLN 11 1HB GLN 11 4.072 0.743 -5.868 48 2HB GLN 11 2HB GLN 11 5.522 1.623 -5.428 49 1HG GLN 11 1HG GLN 11 5.174 3.234 -7.246 50 2HG GLN 11 2HG GLN 11 3.842 2.293 -7.888 51 2HE2 GLN 11 1HE2 GLN 11 3.568 4.945 -7.263 52 1HE2 GLN 11 2HE2 GLN 11 2.508 5.154 -5.910 53 QB GLN 11 QB GLN 11 4.797 1.183 -5.648 54 QG GLN 11 QG GLN 11 4.508 2.764 -7.567 55 QE GLN 11 QE GLN 11 3.038 5.049 -6.586 56 H LEU 12 H LEU 12 6.364 -1.567 -5.786 57 HA LEU 12 HA LEU 12 8.615 -0.710 -4.527 58 1HB LEU 12 1HB LEU 12 7.194 -2.902 -4.395 59 2HB LEU 12 2HB LEU 12 8.401 -3.535 -5.496 60 HG LEU 12 HG LEU 12 8.874 -4.091 -3.150 61 1HD1 LEU 12 1HD1 LEU 12 10.655 -3.446 -5.031 62 2HD1 LEU 12 2HD1 LEU 12 11.079 -2.208 -3.823 63 3HD1 LEU 12 3HD1 LEU 12 11.127 -3.933 -3.385 64 1HD2 LEU 12 1HD2 LEU 12 7.867 -1.964 -2.228 65 2HD2 LEU 12 2HD2 LEU 12 9.399 -2.486 -1.488 66 3HD2 LEU 12 3HD2 LEU 12 9.389 -1.151 -2.666 67 MD1 LEU 12 MD1 LEU 12 10.954 -3.196 -4.079 68 MD2 LEU 12 MD2 LEU 12 8.885 -1.867 -2.127 69 QB LEU 12 QB LEU 12 7.797 -3.218 -4.945 70 QD LEU 12 QD LEU 12 9.919 -2.531 -3.103 71 H SER 13 H SER 13 8.280 -2.044 -7.847 72 HA SER 13 HA SER 13 10.650 -0.716 -8.598 73 1HB SER 13 1HB SER 13 10.783 -3.591 -7.887 74 2HB SER 13 2HB SER 13 11.414 -3.238 -9.483 75 HG SER 13 HG SER 13 12.550 -1.361 -8.178 76 QB SER 13 QB SER 13 11.098 -3.414 -8.685 77 H SER 14 H SER 14 8.396 -0.081 -9.691 78 HA SER 14 HA SER 14 6.978 -0.201 -11.363 79 1HB SER 14 1HB SER 14 9.643 0.027 -12.310 80 2HB SER 14 2HB SER 14 8.856 -1.072 -13.425 81 HG SER 14 HG SER 14 8.381 0.923 -14.257 82 QB SER 14 QB SER 14 9.250 -0.523 -12.867 83 H GLY 15 H GLY 15 7.301 -2.764 -9.876 84 1HA GLY 15 1HA GLY 15 6.388 -4.823 -10.029 85 2HA GLY 15 2HA GLY 15 5.866 -4.459 -11.662 86 QA GLY 15 QA GLY 15 6.127 -4.641 -10.845 87 H ASN 16 H ASN 16 9.089 -4.773 -9.990 88 HA ASN 16 HA ASN 16 9.991 -6.242 -12.310 89 1HB ASN 16 1HB ASN 16 11.308 -4.291 -11.196 90 2HB ASN 16 2HB ASN 16 11.642 -5.398 -9.880 91 2HD2 ASN 16 1HD2 ASN 16 13.567 -4.187 -11.535 92 1HD2 ASN 16 2HD2 ASN 16 14.413 -5.410 -12.424 93 QB ASN 16 QB ASN 16 11.475 -4.845 -10.538 94 QD ASN 16 QD ASN 16 13.990 -4.799 -11.979 95 HA PRO 17 HA PRO 17 9.456 -9.838 -9.767 96 1HB PRO 17 1HB PRO 17 9.948 -11.712 -11.695 97 2HB PRO 17 2HB PRO 17 8.370 -10.995 -11.436 98 1HG PRO 17 2HG PRO 17 8.605 -10.090 -13.544 99 2HG PRO 17 1HG PRO 17 10.318 -10.459 -13.594 100 1HD PRO 17 1HD PRO 17 10.770 -8.246 -13.166 101 2HD PRO 17 2HD PRO 17 9.059 -7.903 -13.002 102 QB PRO 17 QB PRO 17 9.159 -11.353 -11.565 103 QG PRO 17 QG PRO 17 9.462 -10.275 -13.569 104 QD PRO 17 QD PRO 17 9.914 -8.074 -13.084 105 H VAL 18 H VAL 18 12.225 -8.622 -11.144 106 HA VAL 18 HA VAL 18 14.089 -10.570 -10.848 107 HB VAL 18 HB VAL 18 14.403 -8.262 -11.701 108 1HG1 VAL 18 1HG1 VAL 18 13.250 -7.140 -9.761 109 2HG1 VAL 18 2HG1 VAL 18 14.713 -7.451 -8.795 110 3HG1 VAL 18 3HG1 VAL 18 14.803 -6.410 -10.236 111 1HG2 VAL 18 1HG2 VAL 18 16.239 -9.955 -10.569 112 2HG2 VAL 18 2HG2 VAL 18 16.635 -8.477 -11.479 113 3HG2 VAL 18 3HG2 VAL 18 16.563 -8.435 -9.701 114 MG1 VAL 18 MG1 VAL 18 14.255 -7.000 -9.598 115 MG2 VAL 18 MG2 VAL 18 16.479 -8.955 -10.583 116 QG VAL 18 QG VAL 18 15.367 -7.978 -10.090 117 H TYR 19 H TYR 19 12.404 -8.696 -8.307 118 HA TYR 19 HA TYR 19 14.075 -9.491 -6.187 119 1HB TYR 19 1HB TYR 19 11.267 -8.418 -6.677 120 2HB TYR 19 2HB TYR 19 11.629 -8.994 -5.062 121 HD1 TYR 19 HD1 TYR 19 13.335 -7.850 -3.671 122 HD2 TYR 19 HD2 TYR 19 12.219 -6.357 -7.522 123 HE1 TYR 19 HE1 TYR 19 14.397 -5.607 -3.117 124 HE2 TYR 19 HE2 TYR 19 13.284 -4.120 -6.955 125 HH TYR 19 HH TYR 19 15.436 -3.630 -4.856 126 QB TYR 19 QB TYR 19 11.448 -8.706 -5.870 127 QD TYR 19 QD TYR 19 12.777 -7.104 -5.596 128 QE TYR 19 QE TYR 19 13.840 -4.863 -5.036 129 QR TYR 19 QR TYR 19 13.309 -5.984 -5.316 130 H GLU 20 H GLU 20 11.112 -10.898 -7.676 131 HA GLU 20 HA GLU 20 10.467 -12.705 -5.776 132 1HB GLU 20 1HB GLU 20 9.883 -12.259 -8.543 133 2HB GLU 20 2HB GLU 20 10.241 -13.966 -8.375 134 1HG GLU 20 1HG GLU 20 8.536 -12.931 -6.187 135 2HG GLU 20 2HG GLU 20 7.802 -12.744 -7.768 136 HE2 GLU 20 HE2 GLU 20 9.752 -15.451 -6.401 137 QB GLU 20 QB GLU 20 10.062 -13.113 -8.459 138 QG GLU 20 QG GLU 20 8.169 -12.838 -6.977 139 H LYS 21 H LYS 21 13.070 -12.892 -8.251 140 HA LYS 21 HA LYS 21 13.762 -15.520 -8.056 141 1HB LYS 21 1HB LYS 21 14.868 -13.135 -9.110 142 2HB LYS 21 2HB LYS 21 16.135 -13.879 -8.156 143 1HG LYS 21 1HG LYS 21 15.828 -16.025 -9.355 144 2HG LYS 21 2HG LYS 21 14.476 -15.361 -10.251 145 1HD LYS 21 1HD LYS 21 16.434 -13.478 -10.777 146 2HD LYS 21 2HD LYS 21 17.399 -14.935 -10.640 147 1HE LYS 21 1HE LYS 21 15.045 -15.577 -12.189 148 2HE LYS 21 2HE LYS 21 15.731 -14.102 -12.841 149 QB LYS 21 QB LYS 21 15.501 -13.507 -8.633 150 QD LYS 21 QD LYS 21 16.917 -14.206 -10.709 151 QG LYS 21 QG LYS 21 15.152 -15.693 -9.803 152 QE LYS 21 QE LYS 21 15.388 -14.839 -12.515 153 QZ LYS 21 QZ LYS 21 17.047 -15.986 -13.468 154 H TYR 22 H TYR 22 15.293 -12.848 -6.116 155 HA TYR 22 HA TYR 22 16.644 -14.539 -4.386 156 1HB TYR 22 1HB TYR 22 15.336 -11.823 -3.771 157 2HB TYR 22 2HB TYR 22 16.821 -12.437 -3.071 158 HD1 TYR 22 HD1 TYR 22 18.458 -13.288 -5.268 159 HD2 TYR 22 HD2 TYR 22 15.769 -9.966 -5.086 160 HE1 TYR 22 HE1 TYR 22 19.795 -12.098 -7.074 161 HE2 TYR 22 HE2 TYR 22 17.115 -8.787 -6.892 162 HH TYR 22 HH TYR 22 20.176 -9.681 -7.730 163 QB TYR 22 QB TYR 22 16.078 -12.130 -3.421 164 QD TYR 22 QD TYR 22 17.114 -11.627 -5.177 165 QE TYR 22 QE TYR 22 18.455 -10.442 -6.983 166 QR TYR 22 QR TYR 22 17.785 -11.035 -6.080 167 H TYR 23 H TYR 23 13.342 -13.084 -4.146 168 HA TYR 23 HA TYR 23 12.762 -13.828 -1.560 169 1HB TYR 23 1HB TYR 23 11.350 -12.379 -3.002 170 2HB TYR 23 2HB TYR 23 11.166 -13.659 -4.185 171 HD1 TYR 23 HD1 TYR 23 10.576 -13.270 -0.488 172 HD2 TYR 23 HD2 TYR 23 9.061 -14.610 -4.258 173 HE1 TYR 23 HE1 TYR 23 8.415 -14.003 0.633 174 HE2 TYR 23 HE2 TYR 23 6.905 -15.339 -3.125 175 HH TYR 23 HH TYR 23 6.355 -16.086 -0.618 176 QB TYR 23 QB TYR 23 11.258 -13.019 -3.593 177 QD TYR 23 QD TYR 23 9.818 -13.940 -2.373 178 QE TYR 23 QE TYR 23 7.660 -14.671 -1.246 179 QR TYR 23 QR TYR 23 8.739 -14.306 -1.810 180 H ARG 24 H ARG 24 12.914 -15.790 -4.525 181 HA ARG 24 HA ARG 24 11.533 -17.947 -3.266 182 1HB ARG 24 1HB ARG 24 11.370 -17.477 -5.739 183 2HB ARG 24 2HB ARG 24 13.073 -17.855 -5.910 184 1HG ARG 24 1HG ARG 24 12.524 -20.038 -6.162 185 2HG ARG 24 2HG ARG 24 11.968 -20.060 -4.500 186 1HD ARG 24 1HD ARG 24 9.828 -20.319 -5.208 187 2HD ARG 24 2HD ARG 24 9.910 -18.783 -6.049 188 HE ARG 24 HE ARG 24 11.244 -20.877 -7.557 189 1HH1 ARG 24 1HH1 ARG 24 8.046 -19.555 -6.792 190 2HH1 ARG 24 2HH1 ARG 24 7.316 -20.148 -8.246 191 2HH2 ARG 24 HH2 ARG 24 8.648 -21.382 -9.810 192 QB ARG 24 QB ARG 24 12.221 -17.666 -5.825 193 QG ARG 24 QG ARG 24 12.246 -20.049 -5.331 194 QD ARG 24 QD ARG 24 9.869 -19.551 -5.628 195 QH1 ARG 24 QH1 ARG 24 7.681 -19.852 -7.519 196 H GLN 25 H GLN 25 14.820 -16.765 -3.669 197 HA GLN 25 HA GLN 25 16.170 -19.180 -3.479 198 1HB GLN 25 1HB GLN 25 16.913 -16.313 -2.807 199 2HB GLN 25 2HB GLN 25 18.052 -17.623 -2.563 200 1HG GLN 25 1HG GLN 25 17.542 -18.288 -5.036 201 2HG GLN 25 2HG GLN 25 16.792 -16.710 -5.178 202 2HE2 GLN 25 1HE2 GLN 25 19.698 -18.008 -3.569 203 1HE2 GLN 25 2HE2 GLN 25 20.836 -16.882 -4.230 204 QB GLN 25 QB GLN 25 17.483 -16.968 -2.685 205 QG GLN 25 QG GLN 25 17.167 -17.499 -5.107 206 QE GLN 25 QE GLN 25 20.267 -17.445 -3.900 207 H VAL 26 H VAL 26 14.863 -16.917 -1.010 208 HA VAL 26 HA VAL 26 16.053 -18.328 1.165 209 HB VAL 26 HB VAL 26 15.162 -16.691 2.478 210 1HG1 VAL 26 1HG1 VAL 26 16.443 -15.778 0.411 211 2HG1 VAL 26 2HG1 VAL 26 14.852 -15.170 -0.107 212 3HG1 VAL 26 3HG1 VAL 26 15.548 -14.634 1.441 213 1HG2 VAL 26 1HG2 VAL 26 12.819 -16.562 0.558 214 2HG2 VAL 26 2HG2 VAL 26 12.830 -17.158 2.235 215 3HG2 VAL 26 3HG2 VAL 26 13.055 -15.424 1.905 216 MG1 VAL 26 MG1 VAL 26 15.614 -15.194 0.582 217 MG2 VAL 26 MG2 VAL 26 12.901 -16.381 1.566 218 QG VAL 26 QG VAL 26 14.258 -15.788 1.074 219 H GLU 27 H GLU 27 12.844 -18.238 -0.471 220 HA GLU 27 HA GLU 27 11.292 -19.575 1.188 221 1HB GLU 27 1HB GLU 27 10.555 -18.877 -1.032 222 2HB GLU 27 2HB GLU 27 11.606 -20.046 -1.806 223 1HG GLU 27 1HG GLU 27 10.114 -21.630 -0.044 224 2HG GLU 27 2HG GLU 27 8.945 -20.438 -0.575 225 HE2 GLU 27 HE2 GLU 27 9.375 -20.097 -3.154 226 QB GLU 27 QB GLU 27 11.081 -19.462 -1.419 227 QG GLU 27 QG GLU 27 9.529 -21.034 -0.310 228 H ALA 28 H ALA 28 11.077 -21.613 2.102 229 HA ALA 28 HA ALA 28 13.226 -23.494 1.457 230 1HB ALA 28 3HB ALA 28 13.413 -23.503 3.700 231 2HB ALA 28 1HB ALA 28 11.901 -22.582 3.891 232 3HB ALA 28 2HB ALA 28 11.851 -24.356 3.750 233 MB ALA 28 MB ALA 28 12.388 -23.480 3.780 234 H GLY 29 H GLY 29 12.735 -25.739 1.093 235 1HA GLY 29 1HA GLY 29 11.542 -27.452 0.261 236 2HA GLY 29 2HA GLY 29 10.141 -26.804 1.091 237 QA GLY 29 QA GLY 29 10.842 -27.128 0.676 238 H ASN 30 H ASN 30 9.361 -27.902 -1.142 239 HA ASN 30 HA ASN 30 9.429 -25.819 -3.172 240 1HB ASN 30 1HB ASN 30 9.113 -28.825 -3.239 241 2HB ASN 30 2HB ASN 30 8.306 -27.904 -4.493 242 2HD2 ASN 30 1HD2 ASN 30 9.403 -27.495 -6.247 243 1HD2 ASN 30 2HD2 ASN 30 11.126 -27.445 -6.424 244 QB ASN 30 QB ASN 30 8.710 -28.364 -3.866 245 QD ASN 30 QD ASN 30 10.264 -27.470 -6.335 246 H THR 31 H THR 31 7.772 -25.378 -0.918 247 HA THR 31 HA THR 31 5.103 -26.301 -1.670 248 HB THR 31 HB THR 31 4.605 -25.147 0.607 249 HG1 THR 31 HG1 THR 31 6.763 -23.955 0.294 250 1HG2 THR 31 1HG2 THR 31 6.579 -27.460 0.340 251 2HG2 THR 31 2HG2 THR 31 6.013 -26.895 1.930 252 3HG2 THR 31 3HG2 THR 31 4.848 -27.540 0.749 253 MG THR 31 MG THR 31 5.813 -27.298 1.006 254 H GLY 32 H GLY 32 7.165 -23.408 -1.628 255 1HA GLY 32 1HA GLY 32 6.772 -21.656 -3.139 256 2HA GLY 32 2HA GLY 32 5.058 -22.019 -3.134 257 QA GLY 32 QA GLY 32 5.915 -21.838 -3.136 258 H ARG 33 H ARG 33 6.823 -22.042 -0.065 259 HA ARG 33 HA ARG 33 5.824 -19.372 0.473 260 1HB ARG 33 1HB ARG 33 4.873 -20.048 2.602 261 2HB ARG 33 2HB ARG 33 4.240 -21.146 1.392 262 1HG ARG 33 1HG ARG 33 6.031 -22.810 1.997 263 2HG ARG 33 2HG ARG 33 6.606 -21.718 3.241 264 1HD ARG 33 2HD ARG 33 4.011 -21.799 3.995 265 2HD ARG 33 1HD ARG 33 5.177 -22.981 4.555 266 HE ARG 33 HE ARG 33 4.079 -23.853 2.044 267 1HH1 ARG 33 1HH1 ARG 33 3.180 -23.505 5.454 268 2HH1 ARG 33 2HH1 ARG 33 2.004 -24.775 5.402 269 2HH2 ARG 33 HH2 ARG 33 1.637 -25.952 3.346 270 QB ARG 33 QB ARG 33 4.556 -20.597 1.998 271 QG ARG 33 QG ARG 33 6.318 -22.264 2.619 272 QD ARG 33 QD ARG 33 4.594 -22.390 4.275 273 QH1 ARG 33 QH1 ARG 33 2.592 -24.140 5.428 274 H VAL 34 H VAL 34 7.124 -18.163 1.980 275 HA VAL 34 HA VAL 34 9.748 -19.357 2.420 276 HB VAL 34 HB VAL 34 9.903 -17.317 1.306 277 1HG1 VAL 34 1HG1 VAL 34 7.764 -16.334 3.204 278 2HG1 VAL 34 2HG1 VAL 34 8.769 -15.215 2.251 279 3HG1 VAL 34 3HG1 VAL 34 7.733 -16.404 1.425 280 1HG2 VAL 34 1HG2 VAL 34 11.290 -17.606 3.471 281 2HG2 VAL 34 2HG2 VAL 34 11.221 -15.994 2.718 282 3HG2 VAL 34 3HG2 VAL 34 10.223 -16.353 4.148 283 MG1 VAL 34 MG1 VAL 34 8.089 -15.984 2.293 284 MG2 VAL 34 MG2 VAL 34 10.911 -16.651 3.446 285 QG VAL 34 QG VAL 34 9.500 -16.318 2.869 286 H LEU 35 H LEU 35 10.138 -20.318 4.341 287 HA LEU 35 HA LEU 35 8.373 -20.148 6.491 288 1HB LEU 35 1HB LEU 35 10.839 -21.482 5.803 289 2HB LEU 35 2HB LEU 35 10.889 -20.931 7.466 290 HG LEU 35 HG LEU 35 8.527 -22.485 6.419 291 1HD1 LEU 35 1HD1 LEU 35 11.253 -23.460 6.805 292 2HD1 LEU 35 2HD1 LEU 35 10.057 -24.328 7.798 293 3HD1 LEU 35 3HD1 LEU 35 9.851 -24.237 6.032 294 1HD2 LEU 35 1HD2 LEU 35 9.697 -22.090 9.186 295 2HD2 LEU 35 2HD2 LEU 35 8.201 -21.373 8.543 296 3HD2 LEU 35 3HD2 LEU 35 8.308 -23.132 8.794 297 MD1 LEU 35 MD1 LEU 35 10.387 -24.008 6.878 298 MD2 LEU 35 MD2 LEU 35 8.735 -22.198 8.841 299 QB LEU 35 QB LEU 35 10.864 -21.206 6.634 300 QD LEU 35 QD LEU 35 9.561 -23.103 7.860 301 H ALA 36 H ALA 36 10.626 -17.870 5.289 302 HA ALA 36 HA ALA 36 10.905 -15.765 6.061 303 1HB ALA 36 3HB ALA 36 9.993 -15.001 8.070 304 2HB ALA 36 1HB ALA 36 8.934 -16.380 7.690 305 3HB ALA 36 2HB ALA 36 10.233 -16.561 8.893 306 MB ALA 36 MB ALA 36 9.720 -15.981 8.218 307 H LEU 37 H LEU 37 11.773 -18.273 8.551 308 HA LEU 37 HA LEU 37 14.011 -17.207 9.564 309 1HB LEU 37 1HB LEU 37 13.086 -19.962 8.999 310 2HB LEU 37 2HB LEU 37 14.793 -19.782 9.354 311 HG LEU 37 HG LEU 37 13.193 -20.312 11.287 312 1HD1 LEU 37 1HD1 LEU 37 15.638 -19.272 11.265 313 2HD1 LEU 37 2HD1 LEU 37 14.782 -17.887 11.984 314 3HD1 LEU 37 3HD1 LEU 37 14.710 -19.483 12.769 315 1HD2 LEU 37 1HD2 LEU 37 12.583 -17.361 10.970 316 2HD2 LEU 37 2HD2 LEU 37 11.443 -18.714 10.779 317 3HD2 LEU 37 3HD2 LEU 37 12.147 -18.362 12.375 318 MD1 LEU 37 MD1 LEU 37 15.043 -18.881 12.006 319 MD2 LEU 37 MD2 LEU 37 12.057 -18.145 11.375 320 QB LEU 37 QB LEU 37 13.940 -19.872 9.176 321 QD LEU 37 QD LEU 37 13.550 -18.513 11.690 322 H ASP 38 H ASP 38 13.623 -18.672 6.316 323 HA ASP 38 HA ASP 38 16.374 -18.610 5.756 324 1HB ASP 38 1HB ASP 38 13.830 -19.150 4.306 325 2HB ASP 38 2HB ASP 38 15.107 -18.517 3.287 326 HD2 ASP 38 HD2 ASP 38 14.717 -20.967 5.731 327 QB ASP 38 QB ASP 38 14.468 -18.833 3.797 328 H ALA 39 H ALA 39 13.501 -16.548 4.913 329 HA ALA 39 HA ALA 39 14.676 -14.730 3.256 330 1HB ALA 39 2HB ALA 39 12.928 -13.211 4.778 331 2HB ALA 39 1HB ALA 39 12.338 -14.869 5.043 332 3HB ALA 39 3HB ALA 39 12.474 -14.227 3.388 333 MB ALA 39 MB ALA 39 12.580 -14.102 4.403 334 H ALA 40 H ALA 40 14.749 -14.889 6.855 335 HA ALA 40 HA ALA 40 16.064 -12.417 7.180 336 1HB ALA 40 2HB ALA 40 16.673 -14.238 9.310 337 2HB ALA 40 1HB ALA 40 14.999 -14.538 8.786 338 3HB ALA 40 3HB ALA 40 15.493 -12.905 9.295 339 MB ALA 40 MB ALA 40 15.721 -13.893 9.131 340 H ALA 41 H ALA 41 17.105 -15.722 6.398 341 HA ALA 41 HA ALA 41 19.814 -15.386 7.089 342 1HB ALA 41 1HB ALA 41 18.166 -17.451 6.280 343 2HB ALA 41 2HB ALA 41 19.202 -17.211 4.853 344 3HB ALA 41 3HB ALA 41 19.936 -17.551 6.438 345 MB ALA 41 MB ALA 41 19.101 -17.404 5.857 346 H PHE 42 H PHE 42 18.086 -15.240 3.890 347 HA PHE 42 HA PHE 42 20.282 -14.470 2.407 348 1HB PHE 42 1HB PHE 42 18.083 -15.216 1.497 349 2HB PHE 42 2HB PHE 42 17.275 -13.850 2.239 350 HD1 PHE 42 HD1 PHE 42 19.897 -14.653 -0.281 351 HD2 PHE 42 HD2 PHE 42 16.927 -11.909 1.007 352 HE1 PHE 42 HE1 PHE 42 20.214 -13.322 -2.385 353 HE2 PHE 42 HE2 PHE 42 17.245 -10.577 -1.096 354 HZ PHE 42 HZ PHE 42 18.885 -11.299 -2.768 355 QB PHE 42 QB PHE 42 17.679 -14.533 1.868 356 QD PHE 42 QD PHE 42 18.412 -13.281 0.363 357 QE PHE 42 QE PHE 42 18.729 -11.950 -1.741 358 QR PHE 42 QR PHE 42 18.571 -12.615 -0.689 359 H LEU 43 H LEU 43 18.083 -12.564 4.483 360 HA LEU 43 HA LEU 43 18.807 -10.044 3.481 361 1HB LEU 43 1HB LEU 43 17.630 -10.989 6.088 362 2HB LEU 43 2HB LEU 43 17.940 -9.296 5.757 363 HG LEU 43 HG LEU 43 16.229 -10.988 3.931 364 1HD1 LEU 43 1HD1 LEU 43 15.591 -9.938 6.609 365 2HD1 LEU 43 2HD1 LEU 43 14.421 -9.512 5.337 366 3HD1 LEU 43 3HD1 LEU 43 14.810 -11.220 5.653 367 1HD2 LEU 43 1HD2 LEU 43 16.610 -8.017 4.328 368 2HD2 LEU 43 2HD2 LEU 43 16.905 -8.989 2.867 369 3HD2 LEU 43 3HD2 LEU 43 15.240 -8.710 3.428 370 MD1 LEU 43 MD1 LEU 43 14.940 -10.223 5.866 371 MD2 LEU 43 MD2 LEU 43 16.252 -8.572 3.541 372 QB LEU 43 QB LEU 43 17.785 -10.142 5.923 373 QD LEU 43 QD LEU 43 15.596 -9.398 4.704 374 H LYS 44 H LYS 44 20.056 -12.058 6.215 375 HA LYS 44 HA LYS 44 21.879 -10.233 7.189 376 1HB LYS 44 1HB LYS 44 21.690 -13.233 7.200 377 2HB LYS 44 2HB LYS 44 23.123 -12.453 7.838 378 1HG LYS 44 1HG LYS 44 21.126 -10.931 9.004 379 2HG LYS 44 2HG LYS 44 20.350 -12.500 8.924 380 1HD LYS 44 1HD LYS 44 23.156 -12.112 10.056 381 2HD LYS 44 2HD LYS 44 21.717 -12.018 11.051 382 1HE LYS 44 2HE LYS 44 21.441 -14.411 9.521 383 2HE LYS 44 1HE LYS 44 21.726 -14.276 11.245 384 QB LYS 44 QB LYS 44 22.407 -12.843 7.519 385 QD LYS 44 QD LYS 44 22.437 -12.065 10.554 386 QG LYS 44 QG LYS 44 20.738 -11.716 8.964 387 QE LYS 44 QE LYS 44 21.583 -14.344 10.383 388 QZ LYS 44 QZ LYS 44 23.911 -14.353 9.709 389 H LYS 45 H LYS 45 21.808 -11.919 4.145 390 HA LYS 45 HA LYS 45 24.633 -11.835 3.720 391 1HB LYS 45 2HB LYS 45 24.124 -12.680 1.534 392 2HB LYS 45 1HB LYS 45 22.444 -12.201 1.660 393 1HG LYS 45 1HG LYS 45 23.649 -14.114 3.689 394 2HG LYS 45 2HG LYS 45 21.958 -13.875 3.296 395 1HD LYS 45 1HD LYS 45 22.286 -14.885 1.066 396 2HD LYS 45 2HD LYS 45 24.012 -15.013 1.342 397 1HE LYS 45 1HE LYS 45 22.242 -16.287 3.406 398 2HE LYS 45 2HE LYS 45 22.270 -17.054 1.831 399 QB LYS 45 QB LYS 45 23.284 -12.441 1.597 400 QD LYS 45 QD LYS 45 23.149 -14.949 1.204 401 QG LYS 45 QG LYS 45 22.803 -13.995 3.493 402 QE LYS 45 QE LYS 45 22.256 -16.670 2.618 403 QZ LYS 45 QZ LYS 45 24.256 -17.481 3.200 404 H SER 46 H SER 46 22.371 -9.425 4.069 405 HA SER 46 HA SER 46 22.959 -7.838 1.837 406 1HB SER 46 2HB SER 46 20.932 -7.612 3.321 407 2HB SER 46 1HB SER 46 21.748 -6.096 2.995 408 HG SER 46 HG SER 46 21.526 -7.550 5.418 409 QB SER 46 QB SER 46 21.340 -6.854 3.158 410 H GLY 47 H GLY 47 23.792 -7.238 5.334 411 1HA GLY 47 1HA GLY 47 26.466 -7.121 5.309 412 2HA GLY 47 2HA GLY 47 26.053 -5.606 4.529 413 QA GLY 47 QA GLY 47 26.259 -6.364 4.919 414 H LEU 48 H LEU 48 23.410 -5.494 6.102 415 HA LEU 48 HA LEU 48 24.413 -3.954 8.241 416 1HB LEU 48 1HB LEU 48 21.728 -4.815 7.259 417 2HB LEU 48 2HB LEU 48 21.858 -4.155 8.878 418 HG LEU 48 HG LEU 48 23.014 -2.664 6.530 419 1HD1 LEU 48 1HD1 LEU 48 20.116 -2.849 7.335 420 2HD1 LEU 48 2HD1 LEU 48 20.777 -1.393 6.551 421 3HD1 LEU 48 3HD1 LEU 48 20.847 -2.964 5.716 422 1HD2 LEU 48 1HD2 LEU 48 23.510 -2.035 8.931 423 2HD2 LEU 48 2HD2 LEU 48 22.827 -0.749 7.907 424 3HD2 LEU 48 3HD2 LEU 48 21.791 -1.597 9.080 425 MD1 LEU 48 MD1 LEU 48 20.580 -2.402 6.534 426 MD2 LEU 48 MD2 LEU 48 22.709 -1.460 8.640 427 QB LEU 48 QB LEU 48 21.793 -4.485 8.068 428 QD LEU 48 QD LEU 48 21.645 -1.931 7.587 429 HA PRO 49 HA PRO 49 24.620 -6.864 11.420 430 1HB PRO 49 1HB PRO 49 23.817 -5.474 13.631 431 2HB PRO 49 2HB PRO 49 25.415 -5.319 12.930 432 1HG PRO 49 2HG PRO 49 24.834 -3.135 12.470 433 2HG PRO 49 1HG PRO 49 23.137 -3.441 12.783 434 1HD PRO 49 1HD PRO 49 22.761 -3.467 10.516 435 2HD PRO 49 2HD PRO 49 24.475 -3.277 10.204 436 QB PRO 49 QB PRO 49 24.616 -5.397 13.281 437 QG PRO 49 QG PRO 49 23.986 -3.288 12.627 438 QD PRO 49 QD PRO 49 23.618 -3.372 10.360 439 H ASP 50 H ASP 50 23.289 -7.518 13.677 440 HA ASP 50 HA ASP 50 20.882 -8.523 12.450 441 1HB ASP 50 2HB ASP 50 22.301 -10.141 13.613 442 2HB ASP 50 1HB ASP 50 20.783 -9.989 14.475 443 HD2 ASP 50 HD2 ASP 50 21.685 -8.339 17.014 444 QB ASP 50 QB ASP 50 21.542 -10.065 14.044 445 H LEU 51 H LEU 51 22.099 -6.354 15.012 446 HA LEU 51 HA LEU 51 19.765 -6.110 16.517 447 1HB LEU 51 1HB LEU 51 21.219 -5.009 17.743 448 2HB LEU 51 2HB LEU 51 22.371 -4.990 16.423 449 HG LEU 51 HG LEU 51 20.307 -2.953 16.084 450 1HD1 LEU 51 1HD1 LEU 51 21.961 -2.895 18.620 451 2HD1 LEU 51 2HD1 LEU 51 21.133 -1.481 17.924 452 3HD1 LEU 51 3HD1 LEU 51 20.187 -2.884 18.476 453 1HD2 LEU 51 1HD2 LEU 51 22.597 -3.229 14.952 454 2HD2 LEU 51 2HD2 LEU 51 22.103 -1.596 15.460 455 3HD2 LEU 51 3HD2 LEU 51 23.268 -2.518 16.440 456 MD1 LEU 51 MD1 LEU 51 21.094 -2.420 18.340 457 MD2 LEU 51 MD2 LEU 51 22.656 -2.447 15.617 458 QB LEU 51 QB LEU 51 21.795 -5.000 17.083 459 QD LEU 51 QD LEU 51 21.875 -2.434 16.979 460 H ILE 52 H ILE 52 21.064 -3.910 13.925 461 HA ILE 52 HA ILE 52 18.782 -2.330 13.802 462 HB ILE 52 HB ILE 52 21.009 -2.919 11.868 463 1HG1 ILE 52 1HG1 ILE 52 20.456 -0.914 13.986 464 2HG1 ILE 52 2HG1 ILE 52 21.971 -1.632 13.477 465 1HG2 ILE 52 1HG2 ILE 52 19.004 -2.376 10.556 466 2HG2 ILE 52 2HG2 ILE 52 18.797 -0.881 11.500 467 3HG2 ILE 52 3HG2 ILE 52 20.231 -1.089 10.467 468 1HD1 ILE 52 1HD1 ILE 52 21.885 -0.247 11.371 469 2HD1 ILE 52 2HD1 ILE 52 20.415 0.538 11.997 470 3HD1 ILE 52 3HD1 ILE 52 21.962 0.734 12.854 471 MG ILE 52 MG ILE 52 19.344 -1.449 10.841 472 MD ILE 52 MD ILE 52 21.421 0.341 12.074 473 QG ILE 52 QG ILE 52 21.213 -1.273 13.732 474 H LEU 53 H LEU 53 19.609 -5.462 12.298 475 HA LEU 53 HA LEU 53 17.536 -5.468 10.414 476 1HB LEU 53 1HB LEU 53 19.423 -7.411 11.597 477 2HB LEU 53 2HB LEU 53 17.952 -8.091 10.930 478 HG LEU 53 HG LEU 53 20.013 -6.418 9.473 479 1HD1 LEU 53 1HD1 LEU 53 19.204 -9.328 9.298 480 2HD1 LEU 53 2HD1 LEU 53 20.196 -8.502 8.072 481 3HD1 LEU 53 3HD1 LEU 53 20.788 -8.650 9.744 482 1HD2 LEU 53 1HD2 LEU 53 17.243 -7.259 8.662 483 2HD2 LEU 53 2HD2 LEU 53 18.057 -5.688 8.466 484 3HD2 LEU 53 3HD2 LEU 53 18.529 -7.068 7.446 485 MD1 LEU 53 MD1 LEU 53 20.062 -8.827 9.038 486 MD2 LEU 53 MD2 LEU 53 17.943 -6.672 8.191 487 QB LEU 53 QB LEU 53 18.687 -7.751 11.263 488 QD LEU 53 QD LEU 53 19.003 -7.749 8.615 489 H GLY 54 H GLY 54 17.762 -6.822 13.771 490 1HA GLY 54 1HA GLY 54 15.397 -8.054 14.076 491 2HA GLY 54 2HA GLY 54 16.123 -7.053 15.319 492 QA GLY 54 QA GLY 54 15.760 -7.554 14.697 493 H LYS 55 H LYS 55 15.919 -4.463 14.221 494 HA LYS 55 HA LYS 55 13.275 -3.835 14.846 495 1HB LYS 55 1HB LYS 55 15.544 -2.290 13.585 496 2HB LYS 55 2HB LYS 55 13.970 -1.565 13.848 497 1HG LYS 55 1HG LYS 55 14.241 -2.520 16.312 498 2HG LYS 55 2HG LYS 55 15.944 -2.594 15.904 499 1HD LYS 55 1HD LYS 55 16.191 -0.306 15.922 500 2HD LYS 55 2HD LYS 55 14.637 -0.027 15.161 501 1HE LYS 55 1HE LYS 55 13.876 0.626 17.202 502 2HE LYS 55 2HE LYS 55 13.929 -1.062 17.670 503 QB LYS 55 QB LYS 55 14.757 -1.928 13.717 504 QD LYS 55 QD LYS 55 15.414 -0.167 15.541 505 QG LYS 55 QG LYS 55 15.092 -2.557 16.108 506 QE LYS 55 QE LYS 55 13.902 -0.218 17.436 507 QZ LYS 55 QZ LYS 55 16.147 -0.193 18.348 508 H ILE 56 H ILE 56 14.988 -4.257 11.701 509 HA ILE 56 HA ILE 56 12.918 -3.397 10.070 510 HB ILE 56 HB ILE 56 15.127 -5.403 9.636 511 1HG1 ILE 56 1HG1 ILE 56 14.831 -2.445 9.099 512 2HG1 ILE 56 2HG1 ILE 56 16.033 -3.255 10.085 513 1HG2 ILE 56 1HG2 ILE 56 12.826 -4.959 8.017 514 2HG2 ILE 56 2HG2 ILE 56 14.234 -4.258 7.185 515 3HG2 ILE 56 3HG2 ILE 56 14.253 -5.967 7.681 516 1HD1 ILE 56 1HD1 ILE 56 16.463 -4.523 7.696 517 2HD1 ILE 56 2HD1 ILE 56 15.914 -2.930 7.123 518 3HD1 ILE 56 3HD1 ILE 56 17.326 -3.050 8.199 519 MG ILE 56 MG ILE 56 13.771 -5.061 7.628 520 MD ILE 56 MD ILE 56 16.568 -3.501 7.673 521 QG ILE 56 QG ILE 56 15.432 -2.850 9.592 522 H TRP 57 H TRP 57 13.726 -6.748 11.214 523 HA TRP 57 HA TRP 57 11.608 -8.026 9.992 524 1HB TRP 57 1HB TRP 57 13.627 -9.005 11.180 525 2HB TRP 57 2HB TRP 57 12.758 -8.761 12.682 526 HD1 TRP 57 HD1 TRP 57 10.542 -10.345 13.073 527 HE1 TRP 57 HE1 TRP 57 9.767 -12.674 12.105 528 HE3 TRP 57 HE3 TRP 57 13.702 -10.333 9.090 529 HZ2 TRP 57 HZ2 TRP 57 10.545 -14.216 9.834 530 HZ3 TRP 57 HZ3 TRP 57 13.631 -12.289 7.545 531 HH2 TRP 57 HH2 TRP 57 12.122 -14.185 7.866 532 QB TRP 57 QB TRP 57 13.193 -8.883 11.931 533 H ASP 58 H ASP 58 11.860 -6.708 13.379 534 HA ASP 58 HA ASP 58 9.409 -7.266 14.260 535 1HB ASP 58 1HB ASP 58 11.478 -5.708 15.134 536 2HB ASP 58 2HB ASP 58 10.323 -4.449 14.745 537 HD2 ASP 58 HD2 ASP 58 8.104 -4.966 16.966 538 QB ASP 58 QB ASP 58 10.900 -5.079 14.940 539 H LEU 59 H LEU 59 10.437 -4.488 12.171 540 HA LEU 59 HA LEU 59 7.823 -3.360 12.064 541 1HB LEU 59 1HB LEU 59 9.697 -1.921 11.878 542 2HB LEU 59 2HB LEU 59 10.397 -2.867 10.579 543 HG LEU 59 HG LEU 59 9.266 -0.621 10.018 544 1HD1 LEU 59 1HD1 LEU 59 9.622 -3.013 8.578 545 2HD1 LEU 59 2HD1 LEU 59 8.017 -2.394 8.120 546 3HD1 LEU 59 3HD1 LEU 59 9.456 -1.361 7.936 547 1HD2 LEU 59 1HD2 LEU 59 7.129 -1.645 11.346 548 2HD2 LEU 59 2HD2 LEU 59 7.039 -0.347 10.131 549 3HD2 LEU 59 3HD2 LEU 59 6.697 -2.030 9.662 550 MD1 LEU 59 MD1 LEU 59 9.032 -2.256 8.211 551 MD2 LEU 59 MD2 LEU 59 6.955 -1.340 10.380 552 QB LEU 59 QB LEU 59 10.047 -2.394 11.229 553 QD LEU 59 QD LEU 59 7.993 -1.798 9.296 554 H ALA 60 H ALA 60 9.644 -5.820 10.288 555 HA ALA 60 HA ALA 60 8.053 -5.762 7.955 556 1HB ALA 60 2HB ALA 60 9.318 -8.320 8.766 557 2HB ALA 60 3HB ALA 60 9.494 -7.381 7.264 558 3HB ALA 60 1HB ALA 60 10.415 -6.919 8.716 559 MB ALA 60 MB ALA 60 9.742 -7.540 8.249 560 H ASP 61 H ASP 61 8.165 -8.155 10.697 561 HA ASP 61 HA ASP 61 6.134 -9.699 10.095 562 1HB ASP 61 1HB ASP 61 7.331 -9.989 12.177 563 2HB ASP 61 2HB ASP 61 6.809 -8.428 12.777 564 HD2 ASP 61 HD2 ASP 61 6.116 -11.174 14.116 565 QB ASP 61 QB ASP 61 7.070 -9.208 12.477 566 H THR 62 H THR 62 3.940 -9.416 9.633 567 HA THR 62 HA THR 62 2.399 -7.437 11.030 568 HB THR 62 HB THR 62 2.890 -7.155 8.018 569 HG1 THR 62 HG1 THR 62 3.557 -5.566 10.397 570 1HG2 THR 62 1HG2 THR 62 0.651 -6.343 9.454 571 2HG2 THR 62 2HG2 THR 62 1.728 -4.936 9.628 572 3HG2 THR 62 3HG2 THR 62 1.271 -5.513 8.007 573 MG THR 62 MG THR 62 1.217 -5.597 9.030 574 H ASP 63 H ASP 63 2.636 -9.764 8.286 575 HA ASP 63 HA ASP 63 0.049 -10.216 7.822 576 1HB ASP 63 1HB ASP 63 2.112 -11.363 6.811 577 2HB ASP 63 2HB ASP 63 2.098 -12.448 8.187 578 HD2 ASP 63 HD2 ASP 63 0.588 -12.164 5.025 579 QB ASP 63 QB ASP 63 2.105 -11.906 7.499 580 H GLY 64 H GLY 64 2.109 -11.620 10.460 581 1HA GLY 64 1HA GLY 64 1.104 -11.839 12.647 582 2HA GLY 64 2HA GLY 64 -0.367 -12.400 11.878 583 QA GLY 64 QA GLY 64 0.369 -12.120 12.263 584 H LYS 65 H LYS 65 3.074 -13.270 11.144 585 HA LYS 65 HA LYS 65 3.088 -15.688 12.506 586 1HB LYS 65 1HB LYS 65 2.768 -17.290 10.652 587 2HB LYS 65 2HB LYS 65 1.300 -16.432 11.072 588 1HG LYS 65 1HG LYS 65 1.406 -15.039 9.135 589 2HG LYS 65 2HG LYS 65 3.105 -15.376 8.870 590 1HD LYS 65 1HD LYS 65 2.501 -17.021 7.432 591 2HD LYS 65 2HD LYS 65 1.855 -17.918 8.791 592 1HE LYS 65 1HE LYS 65 -0.160 -16.043 8.291 593 2HE LYS 65 2HE LYS 65 0.422 -16.414 6.680 594 QB LYS 65 QB LYS 65 2.034 -16.861 10.862 595 QD LYS 65 QD LYS 65 2.178 -17.469 8.112 596 QG LYS 65 QG LYS 65 2.255 -15.208 9.003 597 QE LYS 65 QE LYS 65 0.131 -16.228 7.485 598 QZ LYS 65 QZ LYS 65 -0.196 -18.601 7.973 599 H GLY 66 H GLY 66 4.954 -17.139 11.607 600 1HA GLY 66 1HA GLY 66 7.236 -15.511 11.352 601 2HA GLY 66 2HA GLY 66 7.155 -17.251 11.161 602 QA GLY 66 QA GLY 66 7.196 -16.381 11.256 603 H VAL 67 H VAL 67 5.788 -17.870 8.982 604 HA VAL 67 HA VAL 67 7.359 -17.447 6.863 605 HB VAL 67 HB VAL 67 4.341 -17.602 6.764 606 1HG1 VAL 67 1HG1 VAL 67 5.969 -17.225 4.657 607 2HG1 VAL 67 2HG1 VAL 67 6.076 -18.997 4.785 608 3HG1 VAL 67 3HG1 VAL 67 4.491 -18.213 4.575 609 1HG2 VAL 67 1HG2 VAL 67 6.381 -19.539 7.657 610 2HG2 VAL 67 2HG2 VAL 67 4.630 -19.483 7.973 611 3HG2 VAL 67 3HG2 VAL 67 5.238 -20.170 6.447 612 MG1 VAL 67 MG1 VAL 67 5.512 -18.145 4.673 613 MG2 VAL 67 MG2 VAL 67 5.416 -19.731 7.359 614 QG VAL 67 QG VAL 67 5.464 -18.938 6.016 615 H LEU 68 H LEU 68 7.506 -15.995 5.082 616 HA LEU 68 HA LEU 68 6.452 -13.343 5.734 617 1HB LEU 68 2HB LEU 68 8.223 -12.507 4.269 618 2HB LEU 68 1HB LEU 68 8.730 -14.147 3.919 619 HG LEU 68 HG LEU 68 9.403 -14.486 6.236 620 1HD1 LEU 68 1HD1 LEU 68 10.790 -13.144 4.403 621 2HD1 LEU 68 2HD1 LEU 68 10.660 -11.854 5.622 622 3HD1 LEU 68 3HD1 LEU 68 11.402 -13.415 6.052 623 1HD2 LEU 68 1HD2 LEU 68 8.022 -11.873 6.641 624 2HD2 LEU 68 2HD2 LEU 68 8.063 -13.327 7.668 625 3HD2 LEU 68 3HD2 LEU 68 9.461 -12.226 7.628 626 MD1 LEU 68 MD1 LEU 68 10.951 -12.804 5.359 627 MD2 LEU 68 MD2 LEU 68 8.515 -12.475 7.312 628 QB LEU 68 QB LEU 68 8.476 -13.327 4.094 629 QD LEU 68 QD LEU 68 9.733 -12.640 6.336 630 H SER 69 H SER 69 6.003 -11.965 3.659 631 HA SER 69 HA SER 69 4.601 -13.699 1.778 632 1HB SER 69 2HB SER 69 2.751 -12.173 1.702 633 2HB SER 69 1HB SER 69 3.638 -10.923 2.550 634 HG SER 69 HG SER 69 3.633 -13.086 4.163 635 QB SER 69 QB SER 69 3.195 -11.548 2.126 636 H LYS 70 H LYS 70 3.732 -11.448 0.103 637 HA LYS 70 HA LYS 70 6.106 -11.135 -1.411 638 1HB LYS 70 1HB LYS 70 3.235 -10.358 -1.666 639 2HB LYS 70 2HB LYS 70 4.399 -9.467 -2.625 640 1HG LYS 70 2HG LYS 70 5.176 -12.185 -2.878 641 2HG LYS 70 1HG LYS 70 4.430 -11.181 -4.105 642 1HD LYS 70 1HD LYS 70 2.236 -11.861 -2.553 643 2HD LYS 70 2HD LYS 70 2.704 -12.669 -4.035 644 1HE LYS 70 1HE LYS 70 3.093 -14.580 -2.879 645 2HE LYS 70 2HE LYS 70 4.339 -13.771 -1.950 646 QB LYS 70 QB LYS 70 3.817 -9.912 -2.145 647 QD LYS 70 QD LYS 70 2.470 -12.265 -3.294 648 QG LYS 70 QG LYS 70 4.803 -11.683 -3.492 649 QE LYS 70 QE LYS 70 3.716 -14.175 -2.414 650 QZ LYS 70 QZ LYS 70 2.400 -14.197 -0.614 651 H GLN 71 H GLN 71 4.014 -8.311 -0.837 652 HA GLN 71 HA GLN 71 5.892 -6.464 -0.814 653 1HB GLN 71 1HB GLN 71 3.206 -6.710 0.369 654 2HB GLN 71 2HB GLN 71 4.197 -5.543 1.222 655 1HG GLN 71 1HG GLN 71 4.802 -4.610 -1.146 656 2HG GLN 71 2HG GLN 71 3.447 -5.558 -1.726 657 2HE2 GLN 71 1HE2 GLN 71 4.447 -2.656 -0.396 658 1HE2 GLN 71 2HE2 GLN 71 2.920 -1.977 0.058 659 QB GLN 71 QB GLN 71 3.702 -6.126 0.795 660 QG GLN 71 QG GLN 71 4.124 -5.084 -1.436 661 QE GLN 71 QE GLN 71 3.683 -2.317 -0.169 662 H GLU 72 H GLU 72 4.888 -8.389 2.085 663 HA GLU 72 HA GLU 72 6.285 -7.184 4.009 664 1HB GLU 72 1HB GLU 72 5.517 -10.016 3.451 665 2HB GLU 72 2HB GLU 72 6.741 -9.798 4.685 666 1HG GLU 72 1HG GLU 72 4.884 -7.815 5.332 667 2HG GLU 72 2HG GLU 72 3.859 -9.113 4.751 668 HE2 GLU 72 HE2 GLU 72 4.368 -11.208 5.703 669 QB GLU 72 QB GLU 72 6.129 -9.907 4.068 670 QG GLU 72 QG GLU 72 4.371 -8.464 5.042 671 H PHE 73 H PHE 73 7.667 -10.077 2.284 672 HA PHE 73 HA PHE 73 10.262 -9.617 3.146 673 1HB PHE 73 1HB PHE 73 9.604 -11.775 2.251 674 2HB PHE 73 2HB PHE 73 8.889 -11.053 0.824 675 HD1 PHE 73 HD1 PHE 73 10.320 -10.285 -1.029 676 HD2 PHE 73 HD2 PHE 73 11.956 -12.268 2.347 677 HE1 PHE 73 HE1 PHE 73 12.435 -10.719 -2.309 678 HE2 PHE 73 HE2 PHE 73 14.071 -12.702 1.067 679 HZ PHE 73 HZ PHE 73 14.285 -11.923 -1.246 680 QB PHE 73 QB PHE 73 9.246 -11.414 1.537 681 QD PHE 73 QD PHE 73 11.138 -11.277 0.659 682 QE PHE 73 QE PHE 73 13.253 -11.711 -0.621 683 QR PHE 73 QR PHE 73 12.196 -11.494 0.019 684 H PHE 74 H PHE 74 8.495 -8.504 0.213 685 HA PHE 74 HA PHE 74 10.742 -7.502 -1.119 686 1HB PHE 74 1HB PHE 74 7.763 -7.412 -1.181 687 2HB PHE 74 2HB PHE 74 8.474 -5.926 -1.778 688 HD1 PHE 74 HD1 PHE 74 8.363 -9.585 -2.293 689 HD2 PHE 74 HD2 PHE 74 9.481 -5.829 -3.920 690 HE1 PHE 74 HE1 PHE 74 8.753 -10.667 -4.524 691 HE2 PHE 74 HE2 PHE 74 9.871 -6.911 -6.151 692 HZ PHE 74 HZ PHE 74 9.502 -9.318 -6.426 693 QB PHE 74 QB PHE 74 8.119 -6.669 -1.480 694 QD PHE 74 QD PHE 74 8.922 -7.707 -3.107 695 QE PHE 74 QE PHE 74 9.312 -8.789 -5.337 696 QR PHE 74 QR PHE 74 9.117 -8.248 -4.222 697 H VAL 75 H VAL 75 9.120 -6.434 1.743 698 HA VAL 75 HA VAL 75 9.864 -3.658 1.337 699 HB VAL 75 HB VAL 75 8.208 -5.218 3.268 700 1HG1 VAL 75 1HG1 VAL 75 9.665 -2.659 3.897 701 2HG1 VAL 75 2HG1 VAL 75 8.056 -2.973 4.592 702 3HG1 VAL 75 3HG1 VAL 75 9.400 -4.093 4.917 703 1HG2 VAL 75 1HG2 VAL 75 7.470 -3.903 1.116 704 2HG2 VAL 75 2HG2 VAL 75 6.489 -3.821 2.599 705 3HG2 VAL 75 3HG2 VAL 75 7.588 -2.484 2.185 706 MG1 VAL 75 MG1 VAL 75 9.041 -3.242 4.469 707 MG2 VAL 75 MG2 VAL 75 7.182 -3.403 1.967 708 QG VAL 75 QG VAL 75 8.111 -3.322 3.218 709 H ALA 76 H ALA 76 10.396 -6.174 3.915 710 HA ALA 76 HA ALA 76 12.395 -4.899 5.255 711 1HB ALA 76 2HB ALA 76 12.825 -7.798 4.944 712 2HB ALA 76 3HB ALA 76 12.457 -6.848 6.403 713 3HB ALA 76 1HB ALA 76 11.141 -7.366 5.323 714 MB ALA 76 MB ALA 76 12.141 -7.337 5.557 715 H LEU 77 H LEU 77 12.462 -6.386 2.057 716 HA LEU 77 HA LEU 77 15.224 -6.815 1.882 717 1HB LEU 77 1HB LEU 77 12.916 -7.052 0.242 718 2HB LEU 77 2HB LEU 77 14.100 -6.121 -0.654 719 HG LEU 77 HG LEU 77 14.473 -8.890 0.515 720 1HD1 LEU 77 1HD1 LEU 77 13.158 -8.353 -1.720 721 2HD1 LEU 77 2HD1 LEU 77 14.807 -8.245 -2.382 722 3HD1 LEU 77 3HD1 LEU 77 14.261 -9.744 -1.592 723 1HD2 LEU 77 1HD2 LEU 77 16.450 -6.877 -0.343 724 2HD2 LEU 77 2HD2 LEU 77 16.630 -8.298 0.714 725 3HD2 LEU 77 3HD2 LEU 77 16.660 -8.495 -1.054 726 MD1 LEU 77 MD1 LEU 77 14.076 -8.781 -1.898 727 MD2 LEU 77 MD2 LEU 77 16.580 -7.890 -0.228 728 QB LEU 77 QB LEU 77 13.508 -6.587 -0.206 729 QD LEU 77 QD LEU 77 15.328 -8.335 -1.063 730 H ARG 78 H ARG 78 13.406 -4.223 0.114 731 HA ARG 78 HA ARG 78 15.613 -2.701 -0.335 732 1HB ARG 78 1HB ARG 78 12.646 -2.116 -0.180 733 2HB ARG 78 2HB ARG 78 13.750 -0.768 -0.368 734 1HG ARG 78 2HG ARG 78 13.042 -1.520 -2.586 735 2HG ARG 78 1HG ARG 78 13.480 -3.178 -2.221 736 1HD ARG 78 2HD ARG 78 15.701 -1.230 -1.840 737 2HD ARG 78 1HD ARG 78 15.132 -1.348 -3.494 738 HE ARG 78 HE ARG 78 15.659 -3.907 -2.085 739 1HH1 ARG 78 1HH1 ARG 78 16.773 -1.495 -4.428 740 2HH1 ARG 78 2HH1 ARG 78 17.935 -2.555 -5.154 741 2HH2 ARG 78 HH2 ARG 78 18.163 -4.791 -4.324 742 QB ARG 78 QB ARG 78 13.198 -1.442 -0.274 743 QG ARG 78 QG ARG 78 13.261 -2.349 -2.403 744 QD ARG 78 QD ARG 78 15.416 -1.289 -2.667 745 QH1 ARG 78 QH1 ARG 78 17.354 -2.025 -4.791 746 H LEU 79 H LEU 79 13.308 -2.694 2.438 747 HA LEU 79 HA LEU 79 13.959 -0.407 3.715 748 1HB LEU 79 1HB LEU 79 12.378 -2.421 4.286 749 2HB LEU 79 2HB LEU 79 13.723 -2.946 5.281 750 HG LEU 79 HG LEU 79 12.452 -0.208 5.518 751 1HD1 LEU 79 1HD1 LEU 79 11.716 -2.824 6.800 752 2HD1 LEU 79 2HD1 LEU 79 11.479 -1.291 7.673 753 3HD1 LEU 79 3HD1 LEU 79 10.669 -1.560 6.110 754 1HD2 LEU 79 1HD2 LEU 79 14.863 -1.191 6.505 755 2HD2 LEU 79 2HD2 LEU 79 13.987 0.257 7.058 756 3HD2 LEU 79 3HD2 LEU 79 13.740 -1.302 7.882 757 MD1 LEU 79 MD1 LEU 79 11.288 -1.892 6.861 758 MD2 LEU 79 MD2 LEU 79 14.196 -0.745 7.148 759 QB LEU 79 QB LEU 79 13.051 -2.684 4.784 760 QD LEU 79 QD LEU 79 12.742 -1.318 7.005 761 H VAL 80 H VAL 80 15.866 -3.451 3.572 762 HA VAL 80 HA VAL 80 17.776 -2.723 5.469 763 HB VAL 80 HB VAL 80 17.961 -4.503 3.030 764 1HG1 VAL 80 1HG1 VAL 80 20.173 -3.737 4.008 765 2HG1 VAL 80 2HG1 VAL 80 19.716 -4.594 5.500 766 3HG1 VAL 80 3HG1 VAL 80 19.908 -5.497 3.978 767 1HG2 VAL 80 1HG2 VAL 80 16.409 -4.774 5.351 768 2HG2 VAL 80 2HG2 VAL 80 16.796 -6.038 4.159 769 3HG2 VAL 80 3HG2 VAL 80 17.814 -5.837 5.606 770 MG1 VAL 80 MG1 VAL 80 19.932 -4.609 4.495 771 MG2 VAL 80 MG2 VAL 80 17.007 -5.550 5.039 772 QG VAL 80 QG VAL 80 18.469 -5.079 4.767 773 H ALA 81 H ALA 81 17.556 -2.159 1.909 774 HA ALA 81 HA ALA 81 20.087 -0.990 1.658 775 1HB ALA 81 1HB ALA 81 18.367 -1.884 -0.105 776 2HB ALA 81 2HB ALA 81 17.706 -0.232 -0.039 777 3HB ALA 81 3HB ALA 81 19.398 -0.495 -0.525 778 MB ALA 81 MB ALA 81 18.491 -0.870 -0.223 779 H CYS 82 H CYS 82 17.204 0.067 3.242 780 HA CYS 82 HA CYS 82 17.589 2.848 2.798 781 1HB CYS 82 1HB CYS 82 15.433 1.489 3.513 782 2HB CYS 82 2HB CYS 82 16.029 1.785 5.134 783 HG CYS 82 HG CYS 82 16.029 4.243 4.841 784 QB CYS 82 QB CYS 82 15.731 1.637 4.323 785 H ALA 83 H ALA 83 17.726 0.853 5.847 786 HA ALA 83 HA ALA 83 19.165 2.704 7.311 787 1HB ALA 83 2HB ALA 83 19.729 -0.111 7.960 788 2HB ALA 83 3HB ALA 83 18.915 1.142 8.927 789 3HB ALA 83 1HB ALA 83 17.997 0.219 7.713 790 MB ALA 83 MB ALA 83 18.880 0.417 8.200 791 H GLN 84 H GLN 84 20.146 0.635 4.682 792 HA GLN 84 HA GLN 84 22.779 0.206 5.367 793 1HB GLN 84 1HB GLN 84 21.256 0.359 2.766 794 2HB GLN 84 2HB GLN 84 23.004 0.253 2.709 795 1HG GLN 84 1HG GLN 84 21.904 -1.665 4.639 796 2HG GLN 84 2HG GLN 84 21.182 -1.887 3.057 797 2HE2 GLN 84 1HE2 GLN 84 23.050 -1.330 1.279 798 1HE2 GLN 84 2HE2 GLN 84 24.443 -2.350 1.420 799 QB GLN 84 QB GLN 84 22.130 0.306 2.738 800 QG GLN 84 QG GLN 84 21.543 -1.776 3.848 801 QE GLN 84 QE GLN 84 23.747 -1.840 1.349 802 H ASN 85 H ASN 85 21.128 3.150 4.695 803 HA ASN 85 HA ASN 85 23.628 4.425 3.936 804 1HB ASN 85 1HB ASN 85 21.113 4.691 2.820 805 2HB ASN 85 2HB ASN 85 21.086 6.013 3.970 806 2HD2 ASN 85 1HD2 ASN 85 21.700 7.864 3.185 807 1HD2 ASN 85 2HD2 ASN 85 22.886 8.151 1.956 808 QB ASN 85 QB ASN 85 21.099 5.352 3.395 809 QD ASN 85 QD ASN 85 22.293 8.008 2.571 810 H GLY 86 H GLY 86 22.343 3.485 6.693 811 1HA GLY 86 1HA GLY 86 22.635 4.213 8.820 812 2HA GLY 86 2HA GLY 86 23.276 5.729 8.218 813 QA GLY 86 QA GLY 86 22.956 4.971 8.519 814 H LEU 87 H LEU 87 20.329 5.042 6.629 815 HA LEU 87 HA LEU 87 19.022 7.139 8.076 816 1HB LEU 87 1HB LEU 87 18.014 5.379 5.837 817 2HB LEU 87 2HB LEU 87 17.258 6.847 6.425 818 HG LEU 87 HG LEU 87 20.079 7.051 5.471 819 1HD1 LEU 87 1HD1 LEU 87 19.090 5.618 3.768 820 2HD1 LEU 87 2HD1 LEU 87 17.727 6.748 3.583 821 3HD1 LEU 87 3HD1 LEU 87 19.372 7.256 3.130 822 1HD2 LEU 87 1HD2 LEU 87 17.801 8.799 5.977 823 2HD2 LEU 87 2HD2 LEU 87 19.538 9.174 5.872 824 3HD2 LEU 87 3HD2 LEU 87 18.553 9.095 4.391 825 MD1 LEU 87 MD1 LEU 87 18.730 6.541 3.494 826 MD2 LEU 87 MD2 LEU 87 18.631 9.023 5.413 827 QB LEU 87 QB LEU 87 17.636 6.113 6.131 828 QD LEU 87 QD LEU 87 18.680 7.782 4.453 829 H GLU 88 H GLU 88 16.470 6.613 8.464 830 HA GLU 88 HA GLU 88 16.414 5.116 10.736 831 1HB GLU 88 1HB GLU 88 14.672 6.788 9.478 832 2HB GLU 88 2HB GLU 88 13.881 5.260 9.146 833 1HG GLU 88 1HG GLU 88 13.649 4.740 11.480 834 2HG GLU 88 2HG GLU 88 14.819 5.955 11.955 835 HE2 GLU 88 HE2 GLU 88 12.074 5.756 12.775 836 QB GLU 88 QB GLU 88 14.276 6.024 9.312 837 QG GLU 88 QG GLU 88 14.234 5.347 11.717 838 H VAL 89 H VAL 89 15.076 3.081 11.178 839 HA VAL 89 HA VAL 89 15.640 1.149 9.045 840 HB VAL 89 HB VAL 89 15.146 0.592 11.969 841 1HG1 VAL 89 1HG1 VAL 89 16.095 -0.991 9.602 842 2HG1 VAL 89 2HG1 VAL 89 16.701 -1.406 11.224 843 3HG1 VAL 89 3HG1 VAL 89 14.953 -1.439 10.892 844 1HG2 VAL 89 1HG2 VAL 89 17.052 2.149 11.753 845 2HG2 VAL 89 2HG2 VAL 89 17.564 0.535 12.302 846 3HG2 VAL 89 3HG2 VAL 89 17.829 1.025 10.612 847 MG1 VAL 89 MG1 VAL 89 15.916 -1.278 10.573 848 MG2 VAL 89 MG2 VAL 89 17.481 1.236 11.555 849 QG VAL 89 QG VAL 89 16.699 -0.021 11.064 850 H SER 90 H SER 90 13.184 3.080 10.069 851 HA SER 90 HA SER 90 11.182 0.999 10.046 852 1HB SER 90 2HB SER 90 9.616 2.769 10.701 853 2HB SER 90 1HB SER 90 10.811 4.008 10.369 854 HG SER 90 HG SER 90 10.399 2.841 12.695 855 QB SER 90 QB SER 90 10.213 3.388 10.535 856 H LEU 91 H LEU 91 9.199 1.343 8.609 857 HA LEU 91 HA LEU 91 10.002 1.591 5.948 858 1HB LEU 91 1HB LEU 91 7.573 1.025 7.455 859 2HB LEU 91 2HB LEU 91 7.248 1.919 5.984 860 HG LEU 91 HG LEU 91 8.700 -0.732 6.193 861 1HD1 LEU 91 1HD1 LEU 91 6.047 -0.376 6.376 862 2HD1 LEU 91 2HD1 LEU 91 6.211 -0.417 4.604 863 3HD1 LEU 91 3HD1 LEU 91 6.792 -1.785 5.583 864 1HD2 LEU 91 1HD2 LEU 91 8.438 1.216 3.952 865 2HD2 LEU 91 2HD2 LEU 91 9.763 0.101 4.361 866 3HD2 LEU 91 3HD2 LEU 91 8.292 -0.517 3.573 867 MD1 LEU 91 MD1 LEU 91 6.350 -0.859 5.521 868 MD2 LEU 91 MD2 LEU 91 8.831 0.267 3.962 869 QB LEU 91 QB LEU 91 7.410 1.472 6.719 870 QD LEU 91 QD LEU 91 7.590 -0.296 4.742 871 H SER 92 H SER 92 9.133 3.959 8.359 872 HA SER 92 HA SER 92 8.026 5.916 6.821 873 1HB SER 92 1HB SER 92 9.537 5.776 9.374 874 2HB SER 92 2HB SER 92 9.600 7.344 8.596 875 HG SER 92 HG SER 92 7.716 6.744 10.141 876 QB SER 92 QB SER 92 9.568 6.560 8.985 877 H SER 93 H SER 93 11.518 5.173 7.443 878 HA SER 93 HA SER 93 12.397 7.324 5.843 879 1HB SER 93 1HB SER 93 14.646 6.189 6.086 880 2HB SER 93 2HB SER 93 13.844 6.539 7.604 881 HG SER 93 HG SER 93 14.121 4.000 6.268 882 QB SER 93 QB SER 93 14.245 6.364 6.845 883 H LEU 94 H LEU 94 11.299 4.050 5.266 884 HA LEU 94 HA LEU 94 12.743 3.496 2.930 885 1HB LEU 94 1HB LEU 94 11.305 2.000 4.491 886 2HB LEU 94 2HB LEU 94 9.967 2.494 3.471 887 HG LEU 94 HG LEU 94 11.499 0.303 3.042 888 1HD1 LEU 94 1HD1 LEU 94 9.335 0.882 1.991 889 2HD1 LEU 94 2HD1 LEU 94 10.197 1.936 0.846 890 3HD1 LEU 94 3HD1 LEU 94 10.502 0.182 0.844 891 1HD2 LEU 94 1HD2 LEU 94 13.505 1.681 2.585 892 2HD2 LEU 94 2HD2 LEU 94 13.028 0.659 1.208 893 3HD2 LEU 94 3HD2 LEU 94 12.664 2.401 1.192 894 MD1 LEU 94 MD1 LEU 94 10.011 1.000 1.227 895 MD2 LEU 94 MD2 LEU 94 13.066 1.580 1.661 896 QB LEU 94 QB LEU 94 10.636 2.247 3.981 897 QD LEU 94 QD LEU 94 11.538 1.290 1.444 898 H SER 95 H SER 95 9.751 5.345 3.598 899 HA SER 95 HA SER 95 8.836 5.514 1.018 900 1HB SER 95 2HB SER 95 7.567 6.247 3.021 901 2HB SER 95 1HB SER 95 7.588 7.486 1.782 902 HG SER 95 HG SER 95 8.342 7.747 4.329 903 QB SER 95 QB SER 95 7.577 6.867 2.402 904 H LEU 96 H LEU 96 11.685 6.862 2.496 905 HA LEU 96 HA LEU 96 11.912 9.126 0.778 906 1HB LEU 96 2HB LEU 96 14.159 9.301 1.731 907 2HB LEU 96 1HB LEU 96 13.974 7.733 2.492 908 HG LEU 96 HG LEU 96 11.860 8.873 3.607 909 1HD1 LEU 96 1HD1 LEU 96 13.953 7.948 4.683 910 2HD1 LEU 96 2HD1 LEU 96 14.620 9.596 4.606 911 3HD1 LEU 96 3HD1 LEU 96 13.148 9.276 5.554 912 1HD2 LEU 96 1HD2 LEU 96 13.318 11.132 2.394 913 2HD2 LEU 96 2HD2 LEU 96 11.621 10.995 2.914 914 3HD2 LEU 96 3HD2 LEU 96 12.893 11.338 4.111 915 MD1 LEU 96 MD1 LEU 96 13.907 8.940 4.948 916 MD2 LEU 96 MD2 LEU 96 12.611 11.155 3.140 917 QB LEU 96 QB LEU 96 14.067 8.517 2.111 918 QD LEU 96 QD LEU 96 13.259 10.047 4.044 919 H ALA 97 H ALA 97 14.564 8.979 -0.151 920 HA ALA 97 HA ALA 97 14.156 7.155 -2.371 921 1HB ALA 97 2HB ALA 97 16.588 8.686 -2.534 922 2HB ALA 97 3HB ALA 97 15.105 8.842 -3.507 923 3HB ALA 97 1HB ALA 97 15.272 9.754 -1.988 924 MB ALA 97 MB ALA 97 15.655 9.094 -2.677 925 H VAL 98 H VAL 98 14.470 5.497 -0.346 926 HA VAL 98 HA VAL 98 16.852 4.971 0.789 927 HB VAL 98 HB VAL 98 15.130 3.600 1.425 928 1HG1 VAL 98 1HG1 VAL 98 14.493 3.453 -1.496 929 2HG1 VAL 98 2HG1 VAL 98 13.959 2.119 -0.446 930 3HG1 VAL 98 3HG1 VAL 98 13.431 3.785 -0.107 931 1HG2 VAL 98 1HG2 VAL 98 17.384 2.369 0.409 932 2HG2 VAL 98 2HG2 VAL 98 16.149 1.599 1.434 933 3HG2 VAL 98 3HG2 VAL 98 16.060 1.444 -0.337 934 MG1 VAL 98 MG1 VAL 98 13.961 3.119 -0.683 935 MG2 VAL 98 MG2 VAL 98 16.531 1.804 0.502 936 QG VAL 98 QG VAL 98 15.246 2.461 -0.091 937 HA PRO 99 HA PRO 99 19.552 4.228 -2.528 938 1HB PRO 99 1HB PRO 99 21.750 3.455 -1.100 939 2HB PRO 99 2HB PRO 99 21.326 5.133 -1.373 940 1HG PRO 99 1HG PRO 99 21.032 3.524 1.090 941 2HG PRO 99 2HG PRO 99 21.021 5.267 0.910 942 1HD PRO 99 1HD PRO 99 18.745 3.569 1.310 943 2HD PRO 99 2HD PRO 99 18.725 5.296 1.014 944 QB PRO 99 QB PRO 99 21.538 4.294 -1.236 945 QG PRO 99 QG PRO 99 21.027 4.396 1.000 946 QD PRO 99 QD PRO 99 18.735 4.432 1.162 947 HA PRO 100 HA PRO 100 19.723 0.081 -3.432 948 1HB PRO 100 1HB PRO 100 22.102 -0.324 -4.714 949 2HB PRO 100 2HB PRO 100 20.701 0.382 -5.494 950 1HG PRO 100 1HG PRO 100 23.165 1.716 -4.552 951 2HG PRO 100 2HG PRO 100 21.967 2.300 -5.689 952 1HD PRO 100 1HD PRO 100 22.267 3.099 -2.950 953 2HD PRO 100 2HD PRO 100 20.999 3.595 -4.054 954 QB PRO 100 QB PRO 100 21.401 0.029 -5.104 955 QG PRO 100 QG PRO 100 22.566 2.008 -5.120 956 QD PRO 100 QD PRO 100 21.633 3.347 -3.502 957 HA PRO 101 HA PRO 101 21.602 -2.030 -0.254 958 1HB PRO 101 1HB PRO 101 20.754 -4.571 -0.797 959 2HB PRO 101 2HB PRO 101 19.773 -3.394 0.054 960 1HG PRO 101 1HG PRO 101 19.530 -4.337 -2.737 961 2HG PRO 101 2HG PRO 101 18.342 -3.509 -1.750 962 1HD PRO 101 1HD PRO 101 19.930 -2.363 -3.846 963 2HD PRO 101 2HD PRO 101 18.827 -1.513 -2.783 964 QB PRO 101 QB PRO 101 20.264 -3.983 -0.371 965 QG PRO 101 QG PRO 101 18.936 -3.923 -2.244 966 QD PRO 101 QD PRO 101 19.378 -1.938 -3.315 967 H ARG 102 H ARG 102 22.642 -4.583 -0.157 968 HA ARG 102 HA ARG 102 24.928 -4.096 -1.863 969 1HB ARG 102 1HB ARG 102 24.810 -4.671 0.819 970 2HB ARG 102 2HB ARG 102 24.989 -6.293 0.181 971 1HG ARG 102 1HG ARG 102 27.185 -5.952 -0.288 972 2HG ARG 102 2HG ARG 102 26.829 -4.492 -1.190 973 1HD ARG 102 1HD ARG 102 26.438 -3.857 1.583 974 2HD ARG 102 2HD ARG 102 27.946 -4.743 1.480 975 HE ARG 102 HE ARG 102 27.771 -2.741 -0.614 976 1HH1 ARG 102 1HH1 ARG 102 28.479 -3.152 2.833 977 2HH1 ARG 102 2HH1 ARG 102 29.477 -1.739 2.923 978 2HH2 ARG 102 HH2 ARG 102 29.820 -0.416 0.954 979 QB ARG 102 QB ARG 102 24.900 -5.482 0.500 980 QG ARG 102 QG ARG 102 27.007 -5.222 -0.739 981 QD ARG 102 QD ARG 102 27.192 -4.300 1.531 982 QH1 ARG 102 QH1 ARG 102 28.978 -2.445 2.878 983 H PHE 103 H PHE 103 22.279 -6.358 -1.181 984 HA PHE 103 HA PHE 103 23.038 -8.719 -2.125 985 1HB PHE 103 1HB PHE 103 20.562 -7.222 -3.156 986 2HB PHE 103 2HB PHE 103 20.683 -8.942 -2.843 987 HD1 PHE 103 HD1 PHE 103 21.404 -9.480 -0.296 988 HD2 PHE 103 HD2 PHE 103 19.416 -5.968 -1.608 989 HE1 PHE 103 HE1 PHE 103 20.509 -9.121 2.022 990 HE2 PHE 103 HE2 PHE 103 18.521 -5.609 0.710 991 HZ PHE 103 HZ PHE 103 19.078 -7.190 2.497 992 QB PHE 103 QB PHE 103 20.622 -8.082 -3.000 993 QD PHE 103 QD PHE 103 20.410 -7.724 -0.952 994 QE PHE 103 QE PHE 103 19.515 -7.365 1.366 995 QR PHE 103 QR PHE 103 19.962 -7.545 0.207 996 H HIS 104 H HIS 104 22.745 -9.825 -4.280 997 HA HIS 104 HA HIS 104 24.242 -8.440 -6.223 998 1HB HIS 104 1HB HIS 104 23.131 -11.132 -5.822 999 2HB HIS 104 2HB HIS 104 23.171 -10.639 -7.503 1000 HD1 HIS 104 HD1 HIS 104 25.004 -12.916 -6.533 1001 HD2 HIS 104 HD2 HIS 104 26.169 -8.889 -6.687 1002 HE1 HIS 104 HE1 HIS 104 27.552 -12.913 -6.656 1003 QB HIS 104 QB HIS 104 23.151 -10.886 -6.662 1004 H ASP 105 H ASP 105 23.356 -8.567 -8.661 1005 HA ASP 105 HA ASP 105 20.610 -8.180 -8.985 1006 1HB ASP 105 1HB ASP 105 21.993 -5.895 -8.034 1007 2HB ASP 105 2HB ASP 105 21.819 -5.617 -9.756 1008 HD2 ASP 105 HD2 ASP 105 19.851 -5.090 -10.471 1009 QB ASP 105 QB ASP 105 21.906 -5.756 -8.895 No H/Q in entry = 1009 Start of MODEL 26 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.871 0.946 -1.748 3 1HB LEU 7 2HB LEU 7 4.105 0.194 -1.888 4 2HB LEU 7 1HB LEU 7 3.844 -1.076 -0.709 5 HG LEU 7 HG LEU 7 3.827 0.429 1.102 6 1HD1 LEU 7 1HD1 LEU 7 6.048 0.019 -0.105 7 2HD1 LEU 7 2HD1 LEU 7 5.895 1.691 -0.696 8 3HD1 LEU 7 3HD1 LEU 7 5.973 1.369 1.053 9 1HD2 LEU 7 1HD2 LEU 7 2.320 2.099 -0.010 10 2HD2 LEU 7 2HD2 LEU 7 3.621 2.802 0.980 11 3HD2 LEU 7 3HD2 LEU 7 3.762 2.787 -0.794 12 MD1 LEU 7 MD1 LEU 7 5.972 1.026 0.084 13 MD2 LEU 7 MD2 LEU 7 3.234 2.563 0.059 14 QB LEU 7 QB LEU 7 3.975 -0.441 -1.299 15 QD LEU 7 QD LEU 7 4.603 1.795 0.072 16 H SER 8 H SER 8 3.418 -1.307 -3.033 17 HA SER 8 HA SER 8 1.602 -2.255 -4.700 18 1HB SER 8 1HB SER 8 3.201 -4.457 -4.584 19 2HB SER 8 2HB SER 8 3.668 -2.965 -5.375 20 HG SER 8 HG SER 8 5.203 -3.950 -3.728 21 QB SER 8 QB SER 8 3.434 -3.711 -4.979 22 H LEU 9 H LEU 9 0.580 -4.482 -4.961 23 HA LEU 9 HA LEU 9 -1.245 -5.043 -3.088 24 1HB LEU 9 1HB LEU 9 0.145 -7.060 -4.856 25 2HB LEU 9 2HB LEU 9 -1.408 -7.281 -4.075 26 HG LEU 9 HG LEU 9 -0.686 -5.502 -6.389 27 1HD1 LEU 9 1HD1 LEU 9 -2.419 -7.849 -5.887 28 2HD1 LEU 9 2HD1 LEU 9 -3.087 -6.600 -6.965 29 3HD1 LEU 9 3HD1 LEU 9 -1.524 -7.363 -7.347 30 1HD2 LEU 9 1HD2 LEU 9 -2.904 -5.069 -4.407 31 2HD2 LEU 9 2HD2 LEU 9 -1.807 -3.888 -5.163 32 3HD2 LEU 9 3HD2 LEU 9 -3.116 -4.626 -6.118 33 MD1 LEU 9 MD1 LEU 9 -2.343 -7.271 -6.733 34 MD2 LEU 9 MD2 LEU 9 -2.609 -4.528 -5.229 35 QB LEU 9 QB LEU 9 -0.631 -7.171 -4.466 36 QD LEU 9 QD LEU 9 -2.476 -5.899 -5.981 37 H THR 10 H THR 10 2.185 -6.031 -3.081 38 HA THR 10 HA THR 10 2.162 -8.006 -1.187 39 HB THR 10 HB THR 10 4.106 -5.749 -1.851 40 HG1 THR 10 HG1 THR 10 3.774 -8.632 -2.263 41 1HG2 THR 10 1HG2 THR 10 4.574 -8.218 -0.096 42 2HG2 THR 10 2HG2 THR 10 5.836 -7.104 -0.673 43 3HG2 THR 10 3HG2 THR 10 4.605 -6.534 0.480 44 MG THR 10 MG THR 10 5.005 -7.285 -0.096 45 H GLN 11 H GLN 11 2.925 -4.567 -0.332 46 HA GLN 11 HA GLN 11 2.524 -5.008 2.358 47 1HB GLN 11 1HB GLN 11 3.101 -2.769 0.599 48 2HB GLN 11 2HB GLN 11 1.944 -2.267 1.816 49 1HG GLN 11 1HG GLN 11 4.107 -3.934 2.943 50 2HG GLN 11 2HG GLN 11 4.719 -2.487 2.167 51 2HE2 GLN 11 1HE2 GLN 11 5.088 -2.703 4.782 52 1HE2 GLN 11 2HE2 GLN 11 4.064 -1.643 5.692 53 QB GLN 11 QB GLN 11 2.523 -2.518 1.207 54 QG GLN 11 QG GLN 11 4.413 -3.211 2.555 55 QE GLN 11 QE GLN 11 4.576 -2.173 5.237 56 H LEU 12 H LEU 12 0.267 -4.199 -0.274 57 HA LEU 12 HA LEU 12 -1.851 -3.156 1.053 58 1HB LEU 12 1HB LEU 12 -1.485 -3.735 -1.427 59 2HB LEU 12 2HB LEU 12 -2.172 -5.298 -1.032 60 HG LEU 12 HG LEU 12 -3.811 -3.726 -2.002 61 1HD1 LEU 12 1HD1 LEU 12 -4.450 -5.577 -0.428 62 2HD1 LEU 12 2HD1 LEU 12 -4.511 -4.363 0.873 63 3HD1 LEU 12 3HD1 LEU 12 -5.609 -4.229 -0.522 64 1HD2 LEU 12 1HD2 LEU 12 -2.730 -1.696 -0.877 65 2HD2 LEU 12 2HD2 LEU 12 -4.507 -1.740 -0.972 66 3HD2 LEU 12 3HD2 LEU 12 -3.687 -2.135 0.558 67 MD1 LEU 12 MD1 LEU 12 -4.857 -4.723 -0.026 68 MD2 LEU 12 MD2 LEU 12 -3.642 -1.857 -0.431 69 QB LEU 12 QB LEU 12 -1.829 -4.517 -1.230 70 QD LEU 12 QD LEU 12 -4.249 -3.290 -0.228 71 H SER 13 H SER 13 -0.810 -6.602 0.921 72 HA SER 13 HA SER 13 -2.002 -7.065 3.419 73 1HB SER 13 1HB SER 13 -3.559 -7.733 0.982 74 2HB SER 13 2HB SER 13 -3.383 -9.074 2.096 75 HG SER 13 HG SER 13 -4.909 -6.760 2.334 76 QB SER 13 QB SER 13 -3.471 -8.404 1.539 77 H SER 14 H SER 14 0.539 -7.398 3.063 78 HA SER 14 HA SER 14 2.264 -8.715 2.837 79 1HB SER 14 1HB SER 14 0.308 -10.037 4.449 80 2HB SER 14 2HB SER 14 1.068 -11.283 3.479 81 HG SER 14 HG SER 14 2.158 -9.665 5.525 82 QB SER 14 QB SER 14 0.688 -10.660 3.964 83 H GLY 15 H GLY 15 0.431 -8.447 0.441 84 1HA GLY 15 1HA GLY 15 0.452 -9.194 -1.684 85 2HA GLY 15 2HA GLY 15 1.738 -10.304 -1.257 86 QA GLY 15 QA GLY 15 1.095 -9.749 -1.471 87 H ASN 16 H ASN 16 -1.717 -9.948 -0.167 88 HA ASN 16 HA ASN 16 -1.983 -12.784 -0.258 89 1HB ASN 16 1HB ASN 16 -3.086 -11.017 1.396 90 2HB ASN 16 2HB ASN 16 -4.285 -10.833 0.132 91 2HD2 ASN 16 1HD2 ASN 16 -4.230 -12.035 2.912 92 1HD2 ASN 16 2HD2 ASN 16 -4.960 -13.597 2.754 93 QB ASN 16 QB ASN 16 -3.686 -10.925 0.764 94 QD ASN 16 QD ASN 16 -4.595 -12.816 2.833 95 HA PRO 17 HA PRO 17 -3.507 -12.411 -4.417 96 1HB PRO 17 1HB PRO 17 -3.514 -15.076 -5.023 97 2HB PRO 17 2HB PRO 17 -2.103 -14.054 -5.210 98 1HG PRO 17 1HG PRO 17 -2.666 -16.071 -3.124 99 2HG PRO 17 2HG PRO 17 -1.129 -15.360 -3.577 100 1HD PRO 17 1HD PRO 17 -2.708 -14.710 -1.272 101 2HD PRO 17 2HD PRO 17 -1.231 -13.919 -1.788 102 QB PRO 17 QB PRO 17 -2.808 -14.565 -5.116 103 QG PRO 17 QG PRO 17 -1.897 -15.715 -3.351 104 QD PRO 17 QD PRO 17 -1.969 -14.315 -1.530 105 H VAL 18 H VAL 18 -5.017 -13.366 -1.706 106 HA VAL 18 HA VAL 18 -7.233 -14.738 -2.656 107 HB VAL 18 HB VAL 18 -6.553 -14.475 -0.301 108 1HG1 VAL 18 1HG1 VAL 18 -6.019 -12.015 -0.489 109 2HG1 VAL 18 2HG1 VAL 18 -7.771 -11.701 -0.437 110 3HG1 VAL 18 3HG1 VAL 18 -6.964 -12.476 0.948 111 1HG2 VAL 18 1HG2 VAL 18 -9.382 -13.631 -1.005 112 2HG2 VAL 18 2HG2 VAL 18 -8.776 -15.283 -0.739 113 3HG2 VAL 18 3HG2 VAL 18 -8.863 -14.138 0.620 114 MG1 VAL 18 MG1 VAL 18 -6.918 -12.064 0.007 115 MG2 VAL 18 MG2 VAL 18 -9.007 -14.351 -0.375 116 QG VAL 18 QG VAL 18 -7.963 -13.207 -0.184 117 H TYR 19 H TYR 19 -6.460 -11.230 -2.538 118 HA TYR 19 HA TYR 19 -9.026 -10.352 -3.284 119 1HB TYR 19 1HB TYR 19 -6.145 -9.396 -3.209 120 2HB TYR 19 2HB TYR 19 -7.249 -8.439 -4.176 121 HD1 TYR 19 HD1 TYR 19 -9.580 -7.899 -2.892 122 HD2 TYR 19 HD2 TYR 19 -5.832 -8.742 -1.009 123 HE1 TYR 19 HE1 TYR 19 -10.351 -6.684 -0.796 124 HE2 TYR 19 HE2 TYR 19 -6.615 -7.523 1.080 125 HH TYR 19 HH TYR 19 -8.183 -5.852 1.705 126 QB TYR 19 QB TYR 19 -6.697 -8.918 -3.693 127 QD TYR 19 QD TYR 19 -7.706 -8.320 -1.950 128 QE TYR 19 QE TYR 19 -8.483 -7.103 0.142 129 QR TYR 19 QR TYR 19 -8.094 -7.712 -0.904 130 H GLU 20 H GLU 20 -6.199 -11.541 -5.110 131 HA GLU 20 HA GLU 20 -6.790 -10.494 -7.559 132 1HB GLU 20 1HB GLU 20 -5.057 -12.506 -6.471 133 2HB GLU 20 2HB GLU 20 -5.824 -13.198 -7.886 134 1HG GLU 20 1HG GLU 20 -4.931 -10.395 -8.284 135 2HG GLU 20 2HG GLU 20 -3.618 -11.497 -7.918 136 HE2 GLU 20 HE2 GLU 20 -3.936 -11.498 -11.407 137 QB GLU 20 QB GLU 20 -5.440 -12.852 -7.178 138 QG GLU 20 QG GLU 20 -4.275 -10.946 -8.101 139 H LYS 21 H LYS 21 -8.294 -13.187 -5.787 140 HA LYS 21 HA LYS 21 -9.586 -14.388 -7.959 141 1HB LYS 21 1HB LYS 21 -9.827 -15.830 -6.272 142 2HB LYS 21 2HB LYS 21 -9.557 -14.593 -5.061 143 1HG LYS 21 1HG LYS 21 -11.856 -13.996 -4.963 144 2HG LYS 21 2HG LYS 21 -12.206 -14.691 -6.533 145 1HD LYS 21 2HD LYS 21 -11.619 -16.987 -5.499 146 2HD LYS 21 1HD LYS 21 -13.122 -16.250 -4.980 147 1HE LYS 21 1HE LYS 21 -10.495 -15.949 -3.450 148 2HE LYS 21 2HE LYS 21 -12.081 -15.434 -2.910 149 QB LYS 21 QB LYS 21 -9.692 -15.212 -5.666 150 QD LYS 21 QD LYS 21 -12.370 -16.619 -5.240 151 QG LYS 21 QG LYS 21 -12.031 -14.344 -5.748 152 QE LYS 21 QE LYS 21 -11.288 -15.692 -3.180 153 QZ LYS 21 QZ LYS 21 -11.441 -18.020 -2.931 154 H TYR 22 H TYR 22 -10.385 -11.589 -5.868 155 HA TYR 22 HA TYR 22 -13.027 -11.328 -6.909 156 1HB TYR 22 1HB TYR 22 -11.122 -9.311 -5.569 157 2HB TYR 22 2HB TYR 22 -12.871 -9.207 -5.580 158 HD1 TYR 22 HD1 TYR 22 -13.031 -12.392 -5.087 159 HD2 TYR 22 HD2 TYR 22 -11.157 -9.098 -3.101 160 HE1 TYR 22 HE1 TYR 22 -13.117 -13.661 -2.886 161 HE2 TYR 22 HE2 TYR 22 -11.250 -10.378 -0.907 162 HH TYR 22 HH TYR 22 -11.875 -13.672 -0.767 163 QB TYR 22 QB TYR 22 -11.997 -9.259 -5.574 164 QD TYR 22 QD TYR 22 -12.094 -10.745 -4.094 165 QE TYR 22 QE TYR 22 -12.183 -12.019 -1.896 166 QR TYR 22 QR TYR 22 -12.139 -11.382 -2.995 167 H TYR 23 H TYR 23 -9.945 -9.442 -7.334 168 HA TYR 23 HA TYR 23 -10.893 -7.633 -9.173 169 1HB TYR 23 1HB TYR 23 -8.668 -7.521 -8.104 170 2HB TYR 23 2HB TYR 23 -8.233 -9.104 -8.719 171 HD1 TYR 23 HD1 TYR 23 -8.124 -9.325 -11.344 172 HD2 TYR 23 HD2 TYR 23 -7.940 -5.610 -9.231 173 HE1 TYR 23 HE1 TYR 23 -7.010 -8.231 -13.351 174 HE2 TYR 23 HE2 TYR 23 -6.826 -4.528 -11.244 175 HH TYR 23 HH TYR 23 -5.354 -5.470 -13.207 176 QB TYR 23 QB TYR 23 -8.451 -8.312 -8.412 177 QD TYR 23 QD TYR 23 -8.032 -7.468 -10.288 178 QE TYR 23 QE TYR 23 -6.918 -6.379 -12.297 179 QR TYR 23 QR TYR 23 -7.475 -6.924 -11.292 180 H ARG 24 H ARG 24 -10.355 -11.073 -9.542 181 HA ARG 24 HA ARG 24 -10.123 -10.835 -12.391 182 1HB ARG 24 1HB ARG 24 -8.916 -12.591 -10.907 183 2HB ARG 24 2HB ARG 24 -10.465 -13.398 -10.765 184 1HG ARG 24 1HG ARG 24 -10.299 -14.292 -12.851 185 2HG ARG 24 2HG ARG 24 -9.898 -12.743 -13.565 186 1HD ARG 24 2HD ARG 24 -7.564 -13.370 -12.163 187 2HD ARG 24 1HD ARG 24 -7.804 -13.586 -13.886 188 HE ARG 24 HE ARG 24 -8.905 -15.888 -12.890 189 1HH1 ARG 24 1HH1 ARG 24 -5.799 -14.302 -12.261 190 2HH1 ARG 24 2HH1 ARG 24 -4.974 -15.783 -11.906 191 2HH2 ARG 24 HH2 ARG 24 -6.179 -17.852 -12.008 192 QB ARG 24 QB ARG 24 -9.690 -12.994 -10.836 193 QG ARG 24 QG ARG 24 -10.098 -13.517 -13.208 194 QD ARG 24 QD ARG 24 -7.684 -13.478 -13.025 195 QH1 ARG 24 QH1 ARG 24 -5.387 -15.042 -12.084 196 H GLN 25 H GLN 25 -12.543 -11.388 -9.887 197 HA GLN 25 HA GLN 25 -14.397 -12.795 -11.389 198 1HB GLN 25 1HB GLN 25 -14.417 -11.163 -8.881 199 2HB GLN 25 2HB GLN 25 -15.975 -11.409 -9.646 200 1HG GLN 25 1HG GLN 25 -14.900 -13.958 -9.787 201 2HG GLN 25 2HG GLN 25 -14.201 -13.377 -8.289 202 2HE2 GLN 25 1HE2 GLN 25 -15.752 -12.205 -6.814 203 1HE2 GLN 25 2HE2 GLN 25 -17.323 -12.898 -6.588 204 QB GLN 25 QB GLN 25 -15.196 -11.286 -9.264 205 QG GLN 25 QG GLN 25 -14.550 -13.668 -9.038 206 QE GLN 25 QE GLN 25 -16.538 -12.551 -6.701 207 H VAL 26 H VAL 26 -13.609 -9.318 -11.153 208 HA VAL 26 HA VAL 26 -15.925 -8.605 -12.738 209 HB VAL 26 HB VAL 26 -15.539 -6.480 -12.070 210 1HG1 VAL 26 1HG1 VAL 26 -15.540 -8.055 -10.056 211 2HG1 VAL 26 2HG1 VAL 26 -13.786 -7.768 -9.966 212 3HG1 VAL 26 3HG1 VAL 26 -14.921 -6.408 -9.788 213 1HG2 VAL 26 1HG2 VAL 26 -13.435 -6.203 -13.289 214 2HG2 VAL 26 2HG2 VAL 26 -13.328 -5.468 -11.671 215 3HG2 VAL 26 3HG2 VAL 26 -12.554 -7.040 -11.988 216 MG1 VAL 26 MG1 VAL 26 -14.749 -7.410 -9.937 217 MG2 VAL 26 MG2 VAL 26 -13.106 -6.237 -12.316 218 QG VAL 26 QG VAL 26 -13.927 -6.824 -11.126 219 H GLU 27 H GLU 27 -12.463 -9.286 -13.073 220 HA GLU 27 HA GLU 27 -11.960 -7.965 -15.411 221 1HB GLU 27 1HB GLU 27 -10.279 -9.152 -13.973 222 2HB GLU 27 2HB GLU 27 -10.881 -10.689 -14.560 223 1HG GLU 27 1HG GLU 27 -10.415 -9.245 -16.921 224 2HG GLU 27 2HG GLU 27 -9.092 -8.749 -15.884 225 HE2 GLU 27 HE2 GLU 27 -9.532 -10.762 -18.153 226 QB GLU 27 QB GLU 27 -10.580 -9.921 -14.266 227 QG GLU 27 QG GLU 27 -9.753 -8.997 -16.403 228 H ALA 28 H ALA 28 -12.079 -8.532 -17.654 229 HA ALA 28 HA ALA 28 -13.976 -10.715 -18.187 230 1HB ALA 28 2HB ALA 28 -13.862 -8.877 -20.362 231 2HB ALA 28 1HB ALA 28 -13.994 -7.915 -18.870 232 3HB ALA 28 3HB ALA 28 -15.211 -9.162 -19.237 233 MB ALA 28 MB ALA 28 -14.356 -8.652 -19.490 234 H GLY 29 H GLY 29 -13.670 -11.781 -20.355 235 1HA GLY 29 1HA GLY 29 -12.378 -12.930 -21.789 236 2HA GLY 29 2HA GLY 29 -11.389 -11.489 -21.916 237 QA GLY 29 QA GLY 29 -11.884 -12.209 -21.852 238 H ASN 30 H ASN 30 -9.784 -13.463 -22.203 239 HA ASN 30 HA ASN 30 -8.809 -14.128 -19.536 240 1HB ASN 30 1HB ASN 30 -8.971 -15.700 -22.106 241 2HB ASN 30 2HB ASN 30 -7.562 -15.978 -21.103 242 2HD2 ASN 30 1HD2 ASN 30 -7.715 -17.471 -19.622 243 1HD2 ASN 30 2HD2 ASN 30 -9.159 -18.070 -18.876 244 QB ASN 30 QB ASN 30 -8.266 -15.839 -21.604 245 QD ASN 30 QD ASN 30 -8.437 -17.771 -19.249 246 H THR 31 H THR 31 -8.098 -11.646 -20.549 247 HA THR 31 HA THR 31 -5.509 -12.026 -21.882 248 HB THR 31 HB THR 31 -5.822 -9.810 -22.707 249 HG1 THR 31 HG1 THR 31 -7.833 -9.678 -20.570 250 1HG2 THR 31 1HG2 THR 31 -8.673 -10.843 -22.264 251 2HG2 THR 31 2HG2 THR 31 -8.189 -9.598 -23.440 252 3HG2 THR 31 3HG2 THR 31 -7.638 -11.278 -23.645 253 MG THR 31 MG THR 31 -8.167 -10.573 -23.116 254 H GLY 32 H GLY 32 -7.093 -10.744 -18.942 255 1HA GLY 32 1HA GLY 32 -5.892 -10.936 -16.885 256 2HA GLY 32 2HA GLY 32 -4.404 -10.569 -17.735 257 QA GLY 32 QA GLY 32 -5.148 -10.752 -17.310 258 H ARG 33 H ARG 33 -7.095 -8.721 -18.898 259 HA ARG 33 HA ARG 33 -6.204 -6.506 -17.229 260 1HB ARG 33 1HB ARG 33 -6.802 -6.712 -20.173 261 2HB ARG 33 2HB ARG 33 -7.266 -5.219 -19.383 262 1HG ARG 33 1HG ARG 33 -4.693 -5.677 -18.376 263 2HG ARG 33 2HG ARG 33 -4.567 -6.239 -20.031 264 1HD ARG 33 1HD ARG 33 -6.057 -3.707 -19.880 265 2HD ARG 33 2HD ARG 33 -4.469 -3.554 -19.154 266 HE ARG 33 HE ARG 33 -3.918 -4.891 -21.501 267 1HH1 ARG 33 1HH1 ARG 33 -5.709 -1.917 -20.794 268 2HH1 ARG 33 2HH1 ARG 33 -5.346 -1.187 -22.322 269 2HH2 ARG 33 HH2 ARG 33 -4.010 -2.388 -23.908 270 QB ARG 33 QB ARG 33 -7.034 -5.966 -19.778 271 QG ARG 33 QG ARG 33 -4.630 -5.958 -19.204 272 QD ARG 33 QD ARG 33 -5.263 -3.630 -19.517 273 QH1 ARG 33 QH1 ARG 33 -5.528 -1.552 -21.558 274 H VAL 34 H VAL 34 -7.826 -5.189 -16.270 275 HA VAL 34 HA VAL 34 -10.535 -6.269 -16.528 276 HB VAL 34 HB VAL 34 -9.284 -6.180 -14.317 277 1HG1 VAL 34 1HG1 VAL 34 -8.544 -3.713 -14.905 278 2HG1 VAL 34 2HG1 VAL 34 -10.094 -3.297 -14.137 279 3HG1 VAL 34 3HG1 VAL 34 -8.860 -4.196 -13.222 280 1HG2 VAL 34 1HG2 VAL 34 -11.942 -6.038 -14.911 281 2HG2 VAL 34 2HG2 VAL 34 -11.283 -6.206 -13.266 282 3HG2 VAL 34 3HG2 VAL 34 -11.745 -4.600 -13.880 283 MG1 VAL 34 MG1 VAL 34 -9.166 -3.736 -14.088 284 MG2 VAL 34 MG2 VAL 34 -11.657 -5.614 -14.019 285 QG VAL 34 QG VAL 34 -10.411 -4.675 -14.053 286 H LEU 35 H LEU 35 -11.990 -5.161 -17.720 287 HA LEU 35 HA LEU 35 -11.321 -2.716 -18.917 288 1HB LEU 35 1HB LEU 35 -13.447 -4.664 -18.992 289 2HB LEU 35 2HB LEU 35 -14.113 -3.043 -18.997 290 HG LEU 35 HG LEU 35 -11.993 -4.017 -20.930 291 1HD1 LEU 35 1HD1 LEU 35 -14.461 -5.017 -20.940 292 2HD1 LEU 35 2HD1 LEU 35 -14.791 -3.503 -21.816 293 3HD1 LEU 35 3HD1 LEU 35 -13.575 -4.644 -22.439 294 1HD2 LEU 35 1HD2 LEU 35 -13.624 -1.472 -20.795 295 2HD2 LEU 35 2HD2 LEU 35 -11.855 -1.648 -20.696 296 3HD2 LEU 35 3HD2 LEU 35 -12.699 -1.988 -22.226 297 MD1 LEU 35 MD1 LEU 35 -14.276 -4.388 -21.732 298 MD2 LEU 35 MD2 LEU 35 -12.726 -1.703 -21.239 299 QB LEU 35 QB LEU 35 -13.780 -3.854 -18.994 300 QD LEU 35 QD LEU 35 -13.501 -3.045 -21.485 301 H ALA 36 H ALA 36 -12.296 -3.473 -15.727 302 HA ALA 36 HA ALA 36 -12.563 -2.087 -13.993 303 1HB ALA 36 1HB ALA 36 -11.326 -0.389 -15.513 304 2HB ALA 36 2HB ALA 36 -12.943 0.273 -15.853 305 3HB ALA 36 3HB ALA 36 -12.323 0.255 -14.185 306 MB ALA 36 MB ALA 36 -12.197 0.046 -15.184 307 H LEU 37 H LEU 37 -14.616 -1.170 -16.846 308 HA LEU 37 HA LEU 37 -16.841 -0.305 -15.654 309 1HB LEU 37 1HB LEU 37 -16.294 -1.909 -18.087 310 2HB LEU 37 2HB LEU 37 -17.963 -1.836 -17.557 311 HG LEU 37 HG LEU 37 -17.218 -0.129 -19.285 312 1HD1 LEU 37 1HD1 LEU 37 -18.918 0.172 -16.962 313 2HD1 LEU 37 2HD1 LEU 37 -18.272 1.744 -17.490 314 3HD1 LEU 37 3HD1 LEU 37 -19.166 0.718 -18.638 315 1HD2 LEU 37 1HD2 LEU 37 -15.525 0.697 -16.977 316 2HD2 LEU 37 2HD2 LEU 37 -15.205 0.766 -18.727 317 3HD2 LEU 37 3HD2 LEU 37 -16.261 1.980 -17.967 318 MD1 LEU 37 MD1 LEU 37 -18.785 0.878 -17.697 319 MD2 LEU 37 MD2 LEU 37 -15.664 1.148 -17.890 320 QB LEU 37 QB LEU 37 -17.128 -1.873 -17.822 321 QD LEU 37 QD LEU 37 -17.225 1.013 -17.794 322 H ASP 38 H ASP 38 -15.707 -3.710 -15.793 323 HA ASP 38 HA ASP 38 -18.054 -4.746 -14.672 324 1HB ASP 38 1HB ASP 38 -15.282 -5.693 -15.266 325 2HB ASP 38 2HB ASP 38 -16.098 -6.565 -13.984 326 HD2 ASP 38 HD2 ASP 38 -18.182 -7.517 -14.639 327 QB ASP 38 QB ASP 38 -15.690 -6.129 -14.625 328 H ALA 39 H ALA 39 -14.753 -3.901 -13.397 329 HA ALA 39 HA ALA 39 -14.971 -4.715 -10.820 330 1HB ALA 39 2HB ALA 39 -13.747 -2.106 -10.884 331 2HB ALA 39 1HB ALA 39 -13.328 -2.982 -12.376 332 3HB ALA 39 3HB ALA 39 -12.967 -3.703 -10.789 333 MB ALA 39 MB ALA 39 -13.347 -2.930 -11.349 334 H ALA 40 H ALA 40 -16.301 -1.714 -12.320 335 HA ALA 40 HA ALA 40 -17.219 -0.573 -9.940 336 1HB ALA 40 2HB ALA 40 -18.951 0.223 -12.001 337 2HB ALA 40 3HB ALA 40 -17.451 1.037 -11.497 338 3HB ALA 40 1HB ALA 40 -17.417 -0.151 -12.822 339 MB ALA 40 MB ALA 40 -17.940 0.370 -12.107 340 H ALA 41 H ALA 41 -18.594 -3.012 -12.182 341 HA ALA 41 HA ALA 41 -21.183 -2.986 -11.084 342 1HB ALA 41 1HB ALA 41 -20.099 -4.019 -13.300 343 2HB ALA 41 3HB ALA 41 -21.576 -4.701 -12.578 344 3HB ALA 41 2HB ALA 41 -20.001 -5.472 -12.276 345 MB ALA 41 MB ALA 41 -20.559 -4.731 -12.718 346 H PHE 42 H PHE 42 -18.209 -4.930 -10.413 347 HA PHE 42 HA PHE 42 -19.399 -6.619 -8.539 348 1HB PHE 42 1HB PHE 42 -17.229 -7.143 -9.499 349 2HB PHE 42 2HB PHE 42 -16.604 -5.543 -9.154 350 HD1 PHE 42 HD1 PHE 42 -18.164 -8.259 -7.104 351 HD2 PHE 42 HD2 PHE 42 -14.917 -5.573 -7.599 352 HE1 PHE 42 HE1 PHE 42 -17.130 -9.119 -4.985 353 HE2 PHE 42 HE2 PHE 42 -13.882 -6.433 -5.481 354 HZ PHE 42 HZ PHE 42 -15.001 -8.196 -4.199 355 QB PHE 42 QB PHE 42 -16.917 -6.343 -9.326 356 QD PHE 42 QD PHE 42 -16.540 -6.916 -7.352 357 QE PHE 42 QE PHE 42 -15.506 -7.776 -5.233 358 QR PHE 42 QR PHE 42 -16.023 -7.346 -6.292 359 H LEU 43 H LEU 43 -17.882 -3.371 -8.265 360 HA LEU 43 HA LEU 43 -17.701 -3.314 -5.485 361 1HB LEU 43 1HB LEU 43 -17.962 -1.162 -7.579 362 2HB LEU 43 2HB LEU 43 -17.779 -0.799 -5.874 363 HG LEU 43 HG LEU 43 -15.798 -2.452 -7.461 364 1HD1 LEU 43 1HD1 LEU 43 -16.044 0.505 -7.084 365 2HD1 LEU 43 2HD1 LEU 43 -14.423 -0.230 -7.109 366 3HD1 LEU 43 3HD1 LEU 43 -15.513 -0.432 -8.501 367 1HD2 LEU 43 1HD2 LEU 43 -15.740 -1.258 -4.683 368 2HD2 LEU 43 2HD2 LEU 43 -15.610 -2.970 -5.153 369 3HD2 LEU 43 3HD2 LEU 43 -14.289 -1.840 -5.534 370 MD1 LEU 43 MD1 LEU 43 -15.327 -0.052 -7.564 371 MD2 LEU 43 MD2 LEU 43 -15.213 -2.022 -5.123 372 QB LEU 43 QB LEU 43 -17.870 -0.981 -6.726 373 QD LEU 43 QD LEU 43 -15.270 -1.037 -6.344 374 H LYS 44 H LYS 44 -20.356 -2.353 -7.743 375 HA LYS 44 HA LYS 44 -22.063 -1.286 -5.861 376 1HB LYS 44 1HB LYS 44 -22.408 -2.578 -8.546 377 2HB LYS 44 2HB LYS 44 -23.832 -2.223 -7.590 378 1HG LYS 44 1HG LYS 44 -22.617 0.156 -7.286 379 2HG LYS 44 2HG LYS 44 -21.811 -0.316 -8.768 380 1HD LYS 44 1HD LYS 44 -24.793 -0.682 -8.679 381 2HD LYS 44 2HD LYS 44 -24.204 0.967 -8.742 382 1HE LYS 44 1HE LYS 44 -23.236 -1.179 -10.681 383 2HE LYS 44 2HE LYS 44 -24.643 -0.189 -11.010 384 QB LYS 44 QB LYS 44 -23.120 -2.400 -8.068 385 QD LYS 44 QD LYS 44 -24.499 0.143 -8.710 386 QG LYS 44 QG LYS 44 -22.214 -0.080 -8.027 387 QE LYS 44 QE LYS 44 -23.940 -0.684 -10.846 388 QZ LYS 44 QZ LYS 44 -22.899 1.472 -10.934 389 H LYS 45 H LYS 45 -20.988 -4.575 -6.312 390 HA LYS 45 HA LYS 45 -23.265 -5.769 -5.064 391 1HB LYS 45 2HB LYS 45 -22.044 -7.819 -5.253 392 2HB LYS 45 1HB LYS 45 -20.521 -6.981 -5.467 393 1HG LYS 45 1HG LYS 45 -22.822 -6.528 -7.401 394 2HG LYS 45 2HG LYS 45 -21.119 -6.199 -7.653 395 1HD LYS 45 1HD LYS 45 -20.588 -8.574 -7.755 396 2HD LYS 45 2HD LYS 45 -22.193 -9.019 -7.208 397 1HE LYS 45 1HE LYS 45 -21.981 -7.341 -9.706 398 2HE LYS 45 2HE LYS 45 -21.530 -9.030 -9.821 399 QB LYS 45 QB LYS 45 -21.283 -7.400 -5.360 400 QD LYS 45 QD LYS 45 -21.391 -8.797 -7.481 401 QG LYS 45 QG LYS 45 -21.971 -6.363 -7.527 402 QE LYS 45 QE LYS 45 -21.756 -8.185 -9.763 403 QZ LYS 45 QZ LYS 45 -23.800 -9.241 -9.404 404 H SER 46 H SER 46 -20.960 -3.672 -3.916 405 HA SER 46 HA SER 46 -20.227 -5.009 -1.551 406 1HB SER 46 2HB SER 46 -18.909 -3.148 -2.546 407 2HB SER 46 1HB SER 46 -19.308 -2.845 -0.867 408 HG SER 46 HG SER 46 -20.298 -1.580 -3.225 409 QB SER 46 QB SER 46 -19.109 -2.996 -1.706 410 H GLY 47 H GLY 47 -22.131 -1.925 -1.856 411 1HA GLY 47 1HA GLY 47 -24.516 -2.678 -0.776 412 2HA GLY 47 2HA GLY 47 -23.490 -2.434 0.624 413 QA GLY 47 QA GLY 47 -24.003 -2.556 -0.076 414 H LEU 48 H LEU 48 -21.805 -0.352 -0.794 415 HA LEU 48 HA LEU 48 -23.421 1.877 -0.078 416 1HB LEU 48 1HB LEU 48 -20.630 1.458 -1.076 417 2HB LEU 48 2HB LEU 48 -21.323 3.068 -1.099 418 HG LEU 48 HG LEU 48 -21.344 1.426 1.428 419 1HD1 LEU 48 1HD1 LEU 48 -19.054 3.137 0.420 420 2HD1 LEU 48 2HD1 LEU 48 -19.213 2.497 2.074 421 3HD1 LEU 48 3HD1 LEU 48 -19.037 1.379 0.700 422 1HD2 LEU 48 1HD2 LEU 48 -21.610 4.344 0.736 423 2HD2 LEU 48 2HD2 LEU 48 -22.698 3.302 1.684 424 3HD2 LEU 48 3HD2 LEU 48 -21.140 3.819 2.371 425 MD1 LEU 48 MD1 LEU 48 -19.101 2.338 1.065 426 MD2 LEU 48 MD2 LEU 48 -21.816 3.822 1.597 427 QB LEU 48 QB LEU 48 -20.977 2.263 -1.088 428 QD LEU 48 QD LEU 48 -20.459 3.080 1.331 429 HA PRO 49 HA PRO 49 -24.992 2.949 -3.950 430 1HB PRO 49 1HB PRO 49 -25.013 5.681 -3.905 431 2HB PRO 49 2HB PRO 49 -26.213 4.700 -3.088 432 1HG PRO 49 2HG PRO 49 -25.378 5.583 -1.128 433 2HG PRO 49 1HG PRO 49 -23.948 6.204 -1.928 434 1HD PRO 49 1HD PRO 49 -22.740 4.460 -1.043 435 2HD PRO 49 2HD PRO 49 -24.193 3.778 -0.339 436 QB PRO 49 QB PRO 49 -25.613 5.191 -3.496 437 QG PRO 49 QG PRO 49 -24.663 5.894 -1.528 438 QD PRO 49 QD PRO 49 -23.466 4.119 -0.691 439 H ASP 50 H ASP 50 -24.599 5.060 -5.713 440 HA ASP 50 HA ASP 50 -22.009 4.209 -6.678 441 1HB ASP 50 1HB ASP 50 -24.307 5.738 -7.984 442 2HB ASP 50 2HB ASP 50 -22.790 5.410 -8.798 443 HD2 ASP 50 HD2 ASP 50 -24.078 2.964 -6.780 444 QB ASP 50 QB ASP 50 -23.548 5.574 -8.391 445 H LEU 51 H LEU 51 -23.797 6.926 -5.308 446 HA LEU 51 HA LEU 51 -22.328 9.061 -6.311 447 1HB LEU 51 1HB LEU 51 -23.109 10.175 -4.160 448 2HB LEU 51 2HB LEU 51 -24.320 9.601 -5.289 449 HG LEU 51 HG LEU 51 -23.807 7.484 -3.448 450 1HD1 LEU 51 1HD1 LEU 51 -23.139 9.858 -2.204 451 2HD1 LEU 51 2HD1 LEU 51 -24.835 9.611 -1.726 452 3HD1 LEU 51 3HD1 LEU 51 -23.625 8.347 -1.399 453 1HD2 LEU 51 1HD2 LEU 51 -25.897 8.088 -4.764 454 2HD2 LEU 51 2HD2 LEU 51 -26.134 7.562 -3.080 455 3HD2 LEU 51 3HD2 LEU 51 -26.227 9.291 -3.494 456 MD1 LEU 51 MD1 LEU 51 -23.866 9.272 -1.777 457 MD2 LEU 51 MD2 LEU 51 -26.086 8.314 -3.779 458 QB LEU 51 QB LEU 51 -23.714 9.888 -4.725 459 QD LEU 51 QD LEU 51 -24.976 8.793 -2.778 460 H ILE 52 H ILE 52 -22.052 7.986 -2.871 461 HA ILE 52 HA ILE 52 -19.594 9.067 -2.429 462 HB ILE 52 HB ILE 52 -21.014 6.700 -1.245 463 1HG1 ILE 52 1HG1 ILE 52 -21.676 9.239 -1.006 464 2HG1 ILE 52 2HG1 ILE 52 -21.774 8.142 0.357 465 1HG2 ILE 52 1HG2 ILE 52 -18.284 7.775 -0.541 466 2HG2 ILE 52 2HG2 ILE 52 -19.307 6.926 0.642 467 3HG2 ILE 52 3HG2 ILE 52 -18.783 6.093 -0.841 468 1HD1 ILE 52 1HD1 ILE 52 -19.210 9.674 -0.165 469 2HD1 ILE 52 2HD1 ILE 52 -20.572 10.450 0.679 470 3HD1 ILE 52 3HD1 ILE 52 -19.813 8.993 1.365 471 MG ILE 52 MG ILE 52 -18.791 6.931 -0.247 472 MD ILE 52 MD ILE 52 -19.865 9.706 0.627 473 QG ILE 52 QG ILE 52 -21.725 8.690 -0.325 474 H LEU 53 H LEU 53 -20.437 5.997 -4.047 475 HA LEU 53 HA LEU 53 -17.874 4.885 -4.019 476 1HB LEU 53 1HB LEU 53 -20.445 4.428 -5.341 477 2HB LEU 53 2HB LEU 53 -19.070 3.968 -6.326 478 HG LEU 53 HG LEU 53 -19.593 2.988 -3.506 479 1HD1 LEU 53 1HD1 LEU 53 -20.712 2.166 -6.025 480 2HD1 LEU 53 2HD1 LEU 53 -19.706 0.861 -5.352 481 3HD1 LEU 53 3HD1 LEU 53 -21.033 1.550 -4.386 482 1HD2 LEU 53 1HD2 LEU 53 -17.465 2.250 -5.529 483 2HD2 LEU 53 2HD2 LEU 53 -17.236 2.991 -3.927 484 3HD2 LEU 53 3HD2 LEU 53 -17.822 1.315 -4.056 485 MD1 LEU 53 MD1 LEU 53 -20.483 1.525 -5.255 486 MD2 LEU 53 MD2 LEU 53 -17.508 2.185 -4.504 487 QB LEU 53 QB LEU 53 -19.757 4.198 -5.834 488 QD LEU 53 QD LEU 53 -18.996 1.855 -4.879 489 H GLY 54 H GLY 54 -19.550 7.057 -6.374 490 1HA GLY 54 1HA GLY 54 -17.750 7.148 -8.407 491 2HA GLY 54 2HA GLY 54 -18.682 8.524 -7.851 492 QA GLY 54 QA GLY 54 -18.216 7.836 -8.129 493 H LYS 55 H LYS 55 -17.535 8.790 -5.195 494 HA LYS 55 HA LYS 55 -15.293 10.346 -5.843 495 1HB LYS 55 1HB LYS 55 -16.607 9.461 -3.283 496 2HB LYS 55 2HB LYS 55 -15.078 10.316 -3.240 497 1HG LYS 55 1HG LYS 55 -16.508 11.862 -5.041 498 2HG LYS 55 2HG LYS 55 -17.785 11.315 -3.972 499 1HD LYS 55 1HD LYS 55 -16.209 12.034 -2.017 500 2HD LYS 55 2HD LYS 55 -15.282 12.882 -3.238 501 1HE LYS 55 1HE LYS 55 -16.903 14.498 -3.553 502 2HE LYS 55 2HE LYS 55 -18.226 13.368 -3.346 503 QB LYS 55 QB LYS 55 -15.842 9.888 -3.262 504 QD LYS 55 QD LYS 55 -15.745 12.458 -2.628 505 QG LYS 55 QG LYS 55 -17.147 11.588 -4.506 506 QE LYS 55 QE LYS 55 -17.564 13.933 -3.449 507 QZ LYS 55 QZ LYS 55 -17.308 13.846 -1.025 508 H ILE 56 H ILE 56 -15.699 7.037 -4.486 509 HA ILE 56 HA ILE 56 -13.042 6.600 -3.828 510 HB ILE 56 HB ILE 56 -15.264 4.747 -4.672 511 1HG1 ILE 56 1HG1 ILE 56 -14.101 5.495 -1.974 512 2HG1 ILE 56 2HG1 ILE 56 -15.671 5.957 -2.601 513 1HG2 ILE 56 1HG2 ILE 56 -12.450 4.170 -4.459 514 2HG2 ILE 56 2HG2 ILE 56 -13.351 3.309 -3.189 515 3HG2 ILE 56 3HG2 ILE 56 -13.800 3.097 -4.899 516 1HD1 ILE 56 1HD1 ILE 56 -15.287 3.052 -2.759 517 2HD1 ILE 56 2HD1 ILE 56 -15.091 3.656 -1.096 518 3HD1 ILE 56 3HD1 ILE 56 -16.597 3.978 -1.988 519 MG ILE 56 MG ILE 56 -13.201 3.525 -4.182 520 MD ILE 56 MD ILE 56 -15.658 3.562 -1.948 521 QG ILE 56 QG ILE 56 -14.886 5.726 -2.287 522 H TRP 57 H TRP 57 -14.814 5.724 -6.880 523 HA TRP 57 HA TRP 57 -12.633 4.738 -8.242 524 1HB TRP 57 1HB TRP 57 -15.078 4.636 -8.863 525 2HB TRP 57 2HB TRP 57 -14.923 6.271 -9.473 526 HD1 TRP 57 HD1 TRP 57 -12.910 6.507 -11.525 527 HE1 TRP 57 HE1 TRP 57 -12.364 4.913 -13.556 528 HE3 TRP 57 HE3 TRP 57 -15.120 2.373 -9.554 529 HZ2 TRP 57 HZ2 TRP 57 -12.905 2.164 -14.098 530 HZ3 TRP 57 HZ3 TRP 57 -15.067 0.275 -10.899 531 HH2 TRP 57 HH2 TRP 57 -14.008 0.129 -13.098 532 QB TRP 57 QB TRP 57 -15.000 5.453 -9.168 533 H ASP 58 H ASP 58 -14.020 8.103 -8.231 534 HA ASP 58 HA ASP 58 -12.282 9.283 -9.894 535 1HB ASP 58 1HB ASP 58 -14.232 10.124 -8.122 536 2HB ASP 58 2HB ASP 58 -12.800 10.818 -7.388 537 HD2 ASP 58 HD2 ASP 58 -11.417 11.877 -9.237 538 QB ASP 58 QB ASP 58 -13.516 10.471 -7.755 539 H LEU 59 H LEU 59 -11.773 8.107 -6.576 540 HA LEU 59 HA LEU 59 -9.233 9.485 -6.339 541 1HB LEU 59 1HB LEU 59 -10.657 9.433 -4.409 542 2HB LEU 59 2HB LEU 59 -10.802 7.688 -4.490 543 HG LEU 59 HG LEU 59 -9.223 8.769 -2.740 544 1HD1 LEU 59 1HD1 LEU 59 -8.981 6.313 -4.328 545 2HD1 LEU 59 2HD1 LEU 59 -7.474 6.802 -3.516 546 3HD1 LEU 59 3HD1 LEU 59 -8.958 6.555 -2.565 547 1HD2 LEU 59 1HD2 LEU 59 -8.098 10.033 -4.813 548 2HD2 LEU 59 2HD2 LEU 59 -7.201 9.606 -3.336 549 3HD2 LEU 59 3HD2 LEU 59 -7.071 8.579 -4.784 550 MD1 LEU 59 MD1 LEU 59 -8.471 6.557 -3.470 551 MD2 LEU 59 MD2 LEU 59 -7.457 9.406 -4.311 552 QB LEU 59 QB LEU 59 -10.730 8.560 -4.450 553 QD LEU 59 QD LEU 59 -7.964 7.981 -3.890 554 H ALA 60 H ALA 60 -10.600 6.336 -7.204 555 HA ALA 60 HA ALA 60 -8.139 4.926 -6.895 556 1HB ALA 60 3HB ALA 60 -9.435 3.107 -7.315 557 2HB ALA 60 2HB ALA 60 -10.206 3.859 -8.732 558 3HB ALA 60 1HB ALA 60 -10.788 4.241 -7.093 559 MB ALA 60 MB ALA 60 -10.143 3.736 -7.713 560 H ASP 61 H ASP 61 -10.108 5.861 -9.812 561 HA ASP 61 HA ASP 61 -8.496 5.167 -11.756 562 1HB ASP 61 1HB ASP 61 -10.514 6.345 -12.286 563 2HB ASP 61 2HB ASP 61 -10.035 7.756 -11.364 564 HD2 ASP 61 HD2 ASP 61 -9.119 9.506 -13.123 565 QB ASP 61 QB ASP 61 -10.274 7.050 -11.825 566 H THR 62 H THR 62 -6.399 5.669 -12.482 567 HA THR 62 HA THR 62 -5.217 8.219 -11.937 568 HB THR 62 HB THR 62 -4.406 5.719 -10.387 569 HG1 THR 62 HG1 THR 62 -5.270 7.049 -8.842 570 1HG2 THR 62 1HG2 THR 62 -2.422 7.048 -11.550 571 2HG2 THR 62 2HG2 THR 62 -2.834 8.318 -10.373 572 3HG2 THR 62 3HG2 THR 62 -2.329 6.708 -9.805 573 MG THR 62 MG THR 62 -2.528 7.358 -10.576 574 H ASP 63 H ASP 63 -4.768 4.784 -12.931 575 HA ASP 63 HA ASP 63 -2.510 5.018 -14.352 576 1HB ASP 63 1HB ASP 63 -4.019 2.969 -14.017 577 2HB ASP 63 2HB ASP 63 -4.997 3.555 -15.348 578 HD2 ASP 63 HD2 ASP 63 -2.196 1.928 -14.521 579 QB ASP 63 QB ASP 63 -4.508 3.262 -14.683 580 H GLY 64 H GLY 64 -5.909 5.752 -15.409 581 1HA GLY 64 1HA GLY 64 -5.940 7.898 -16.753 582 2HA GLY 64 2HA GLY 64 -4.832 7.066 -17.825 583 QA GLY 64 QA GLY 64 -5.386 7.482 -17.289 584 H LYS 65 H LYS 65 -5.734 4.545 -18.165 585 HA LYS 65 HA LYS 65 -8.200 4.988 -19.576 586 1HB LYS 65 1HB LYS 65 -5.987 3.554 -20.154 587 2HB LYS 65 2HB LYS 65 -6.963 2.285 -19.442 588 1HG LYS 65 1HG LYS 65 -8.546 2.348 -21.134 589 2HG LYS 65 2HG LYS 65 -8.383 4.076 -21.376 590 1HD LYS 65 1HD LYS 65 -5.971 2.452 -22.079 591 2HD LYS 65 2HD LYS 65 -7.374 2.188 -23.095 592 1HE LYS 65 1HE LYS 65 -7.530 4.763 -23.316 593 2HE LYS 65 2HE LYS 65 -5.946 4.830 -22.570 594 QB LYS 65 QB LYS 65 -6.475 2.920 -19.798 595 QD LYS 65 QD LYS 65 -6.673 2.320 -22.587 596 QG LYS 65 QG LYS 65 -8.465 3.212 -21.255 597 QE LYS 65 QE LYS 65 -6.738 4.796 -22.943 598 QZ LYS 65 QZ LYS 65 -5.415 3.733 -24.595 599 H GLY 66 H GLY 66 -10.211 4.038 -19.150 600 1HA GLY 66 1HA GLY 66 -11.179 3.849 -16.675 601 2HA GLY 66 2HA GLY 66 -11.771 2.856 -17.992 602 QA GLY 66 QA GLY 66 -11.475 3.353 -17.334 603 H VAL 67 H VAL 67 -9.497 1.169 -18.440 604 HA VAL 67 HA VAL 67 -9.942 -0.930 -16.839 605 HB VAL 67 HB VAL 67 -7.264 -0.085 -17.963 606 1HG1 VAL 67 1HG1 VAL 67 -7.816 -2.244 -16.325 607 2HG1 VAL 67 2HG1 VAL 67 -7.937 -2.940 -17.959 608 3HG1 VAL 67 3HG1 VAL 67 -6.445 -2.112 -17.453 609 1HG2 VAL 67 1HG2 VAL 67 -9.692 -0.552 -19.314 610 2HG2 VAL 67 2HG2 VAL 67 -8.061 -0.433 -20.017 611 3HG2 VAL 67 3HG2 VAL 67 -8.715 -2.021 -19.549 612 MG1 VAL 67 MG1 VAL 67 -7.399 -2.432 -17.246 613 MG2 VAL 67 MG2 VAL 67 -8.823 -1.002 -19.627 614 QG VAL 67 QG VAL 67 -8.111 -1.717 -18.436 615 H LEU 68 H LEU 68 -9.094 -1.825 -14.898 616 HA LEU 68 HA LEU 68 -8.032 0.232 -13.110 617 1HB LEU 68 1HB LEU 68 -9.390 -2.403 -12.526 618 2HB LEU 68 2HB LEU 68 -8.789 -1.285 -11.317 619 HG LEU 68 HG LEU 68 -11.128 -0.956 -13.188 620 1HD1 LEU 68 1HD1 LEU 68 -11.532 -2.069 -11.050 621 2HD1 LEU 68 2HD1 LEU 68 -10.842 -0.676 -10.183 622 3HD1 LEU 68 3HD1 LEU 68 -12.345 -0.486 -11.118 623 1HD2 LEU 68 1HD2 LEU 68 -9.624 1.227 -11.735 624 2HD2 LEU 68 2HD2 LEU 68 -10.037 1.124 -13.464 625 3HD2 LEU 68 3HD2 LEU 68 -11.318 1.392 -12.258 626 MD1 LEU 68 MD1 LEU 68 -11.573 -1.077 -10.784 627 MD2 LEU 68 MD2 LEU 68 -10.326 1.248 -12.485 628 QB LEU 68 QB LEU 68 -9.089 -1.844 -11.921 629 QD LEU 68 QD LEU 68 -10.950 0.085 -11.635 630 H SER 69 H SER 69 -6.495 -0.724 -11.344 631 HA SER 69 HA SER 69 -4.700 -2.593 -12.679 632 1HB SER 69 1HB SER 69 -3.920 -0.143 -11.034 633 2HB SER 69 2HB SER 69 -2.789 -1.324 -11.666 634 HG SER 69 HG SER 69 -4.622 0.028 -13.427 635 QB SER 69 QB SER 69 -3.355 -0.733 -11.350 636 H LYS 70 H LYS 70 -2.905 -3.240 -10.786 637 HA LYS 70 HA LYS 70 -4.282 -4.854 -9.026 638 1HB LYS 70 1HB LYS 70 -1.969 -4.869 -7.828 639 2HB LYS 70 2HB LYS 70 -2.119 -5.532 -9.442 640 1HG LYS 70 1HG LYS 70 -1.559 -2.620 -9.428 641 2HG LYS 70 2HG LYS 70 -0.300 -3.567 -8.660 642 1HD LYS 70 1HD LYS 70 0.143 -4.825 -10.630 643 2HD LYS 70 2HD LYS 70 -1.412 -4.442 -11.343 644 1HE LYS 70 2HE LYS 70 -0.602 -1.962 -11.355 645 2HE LYS 70 1HE LYS 70 0.089 -3.052 -12.541 646 QB LYS 70 QB LYS 70 -2.044 -5.200 -8.635 647 QD LYS 70 QD LYS 70 -0.634 -4.633 -10.987 648 QG LYS 70 QG LYS 70 -0.929 -3.094 -9.044 649 QE LYS 70 QE LYS 70 -0.257 -2.507 -11.948 650 QZ LYS 70 QZ LYS 70 1.885 -2.897 -10.985 651 H GLN 71 H GLN 71 -2.009 -2.602 -7.484 652 HA GLN 71 HA GLN 71 -3.288 -2.299 -5.203 653 1HB GLN 71 1HB GLN 71 -1.211 -0.935 -6.571 654 2HB GLN 71 2HB GLN 71 -2.290 0.325 -6.007 655 1HG GLN 71 1HG GLN 71 -1.859 -1.749 -3.956 656 2HG GLN 71 2HG GLN 71 -0.352 -1.018 -4.472 657 2HE2 GLN 71 1HE2 GLN 71 -0.669 -0.457 -2.070 658 1HE2 GLN 71 2HE2 GLN 71 -1.357 1.096 -1.726 659 QB GLN 71 QB GLN 71 -1.751 -0.305 -6.289 660 QG GLN 71 QG GLN 71 -1.105 -1.384 -4.214 661 QE GLN 71 QE GLN 71 -1.013 0.320 -1.898 662 H GLU 72 H GLU 72 -3.850 -0.191 -8.109 663 HA GLU 72 HA GLU 72 -5.594 1.559 -7.173 664 1HB GLU 72 1HB GLU 72 -5.536 0.036 -9.788 665 2HB GLU 72 2HB GLU 72 -6.809 1.205 -9.496 666 1HG GLU 72 1HG GLU 72 -4.672 2.708 -8.723 667 2HG GLU 72 2HG GLU 72 -3.863 1.653 -9.866 668 HE2 GLU 72 HE2 GLU 72 -3.774 2.662 -11.688 669 QB GLU 72 QB GLU 72 -6.172 0.620 -9.642 670 QG GLU 72 QG GLU 72 -4.268 2.181 -9.295 671 H PHE 73 H PHE 73 -6.832 -1.482 -8.746 672 HA PHE 73 HA PHE 73 -9.391 -1.245 -7.739 673 1HB PHE 73 1HB PHE 73 -8.839 -2.764 -9.571 674 2HB PHE 73 2HB PHE 73 -7.573 -3.539 -8.639 675 HD1 PHE 73 HD1 PHE 73 -8.240 -5.006 -6.682 676 HD2 PHE 73 HD2 PHE 73 -11.042 -3.598 -9.542 677 HE1 PHE 73 HE1 PHE 73 -9.851 -6.802 -5.989 678 HE2 PHE 73 HE2 PHE 73 -12.652 -5.394 -8.849 679 HZ PHE 73 HZ PHE 73 -12.037 -6.975 -7.081 680 QB PHE 73 QB PHE 73 -8.206 -3.151 -9.105 681 QD PHE 73 QD PHE 73 -9.641 -4.302 -8.112 682 QE PHE 73 QE PHE 73 -11.251 -6.098 -7.419 683 QR PHE 73 QR PHE 73 -10.446 -5.200 -7.766 684 H PHE 74 H PHE 74 -6.479 -2.884 -6.383 685 HA PHE 74 HA PHE 74 -7.785 -4.198 -4.307 686 1HB PHE 74 1HB PHE 74 -5.049 -3.299 -5.132 687 2HB PHE 74 2HB PHE 74 -5.216 -3.482 -3.397 688 HD1 PHE 74 HD1 PHE 74 -6.070 -5.363 -6.514 689 HD2 PHE 74 HD2 PHE 74 -4.706 -5.539 -2.499 690 HE1 PHE 74 HE1 PHE 74 -5.721 -7.838 -6.741 691 HE2 PHE 74 HE2 PHE 74 -4.357 -8.014 -2.726 692 HZ PHE 74 HZ PHE 74 -4.868 -9.134 -4.845 693 QB PHE 74 QB PHE 74 -5.133 -3.391 -4.265 694 QD PHE 74 QD PHE 74 -5.388 -5.451 -4.506 695 QE PHE 74 QE PHE 74 -5.039 -7.926 -4.734 696 QR PHE 74 QR PHE 74 -5.213 -6.689 -4.620 697 H VAL 75 H VAL 75 -7.089 -0.809 -4.810 698 HA VAL 75 HA VAL 75 -7.161 -0.191 -1.989 699 HB VAL 75 HB VAL 75 -6.659 1.245 -4.546 700 1HG1 VAL 75 1HG1 VAL 75 -7.597 2.629 -2.012 701 2HG1 VAL 75 2HG1 VAL 75 -6.803 3.446 -3.379 702 3HG1 VAL 75 3HG1 VAL 75 -8.383 2.658 -3.609 703 1HG2 VAL 75 1HG2 VAL 75 -5.166 0.372 -2.290 704 2HG2 VAL 75 2HG2 VAL 75 -4.586 1.244 -3.730 705 3HG2 VAL 75 3HG2 VAL 75 -5.124 2.152 -2.296 706 MG1 VAL 75 MG1 VAL 75 -7.595 2.911 -3.000 707 MG2 VAL 75 MG2 VAL 75 -4.959 1.256 -2.772 708 QG VAL 75 QG VAL 75 -6.277 2.084 -2.886 709 H ALA 76 H ALA 76 -9.096 0.854 -4.891 710 HA ALA 76 HA ALA 76 -11.177 1.994 -3.601 711 1HB ALA 76 2HB ALA 76 -12.459 0.790 -5.674 712 2HB ALA 76 1HB ALA 76 -10.767 0.574 -6.186 713 3HB ALA 76 3HB ALA 76 -11.398 2.207 -5.864 714 MB ALA 76 MB ALA 76 -11.541 1.190 -5.908 715 H LEU 77 H LEU 77 -10.333 -1.442 -3.771 716 HA LEU 77 HA LEU 77 -12.827 -2.500 -3.102 717 1HB LEU 77 1HB LEU 77 -10.155 -3.398 -3.499 718 2HB LEU 77 2HB LEU 77 -10.719 -4.058 -1.976 719 HG LEU 77 HG LEU 77 -11.916 -4.438 -4.724 720 1HD1 LEU 77 1HD1 LEU 77 -9.931 -5.825 -3.723 721 2HD1 LEU 77 2HD1 LEU 77 -11.223 -6.631 -2.802 722 3HD1 LEU 77 3HD1 LEU 77 -11.262 -6.639 -4.581 723 1HD2 LEU 77 1HD2 LEU 77 -13.253 -4.525 -2.114 724 2HD2 LEU 77 2HD2 LEU 77 -13.932 -4.457 -3.758 725 3HD2 LEU 77 3HD2 LEU 77 -13.430 -6.018 -3.066 726 MD1 LEU 77 MD1 LEU 77 -10.805 -6.365 -3.702 727 MD2 LEU 77 MD2 LEU 77 -13.538 -5.000 -2.979 728 QB LEU 77 QB LEU 77 -10.437 -3.728 -2.737 729 QD LEU 77 QD LEU 77 -12.172 -5.683 -3.341 730 H ARG 78 H ARG 78 -10.007 -2.420 -0.832 731 HA ARG 78 HA ARG 78 -11.530 -2.653 1.400 732 1HB ARG 78 1HB ARG 78 -8.805 -1.371 0.928 733 2HB ARG 78 2HB ARG 78 -9.476 -1.494 2.542 734 1HG ARG 78 1HG ARG 78 -8.844 -3.792 0.638 735 2HG ARG 78 2HG ARG 78 -8.049 -3.435 2.158 736 1HD ARG 78 2HD ARG 78 -10.590 -3.662 3.087 737 2HD ARG 78 1HD ARG 78 -9.511 -5.037 2.954 738 HE ARG 78 HE ARG 78 -11.127 -4.418 0.549 739 1HH1 ARG 78 1HH1 ARG 78 -10.752 -6.413 3.453 740 2HH1 ARG 78 2HH1 ARG 78 -11.824 -7.652 2.891 741 2HH2 ARG 78 HH2 ARG 78 -12.865 -7.419 0.745 742 QB ARG 78 QB ARG 78 -9.140 -1.433 1.735 743 QG ARG 78 QG ARG 78 -8.447 -3.613 1.398 744 QD ARG 78 QD ARG 78 -10.051 -4.349 3.020 745 QH1 ARG 78 QH1 ARG 78 -11.288 -7.033 3.172 746 H LEU 79 H LEU 79 -10.767 0.213 -0.563 747 HA LEU 79 HA LEU 79 -11.296 2.210 1.278 748 1HB LEU 79 1HB LEU 79 -10.436 2.159 -1.232 749 2HB LEU 79 2HB LEU 79 -12.115 2.525 -1.571 750 HG LEU 79 HG LEU 79 -10.446 4.162 0.349 751 1HD1 LEU 79 1HD1 LEU 79 -10.193 3.996 -2.508 752 2HD1 LEU 79 2HD1 LEU 79 -10.825 5.598 -2.055 753 3HD1 LEU 79 3HD1 LEU 79 -9.300 5.010 -1.348 754 1HD2 LEU 79 1HD2 LEU 79 -13.220 4.176 -0.442 755 2HD2 LEU 79 2HD2 LEU 79 -12.384 5.145 0.795 756 3HD2 LEU 79 3HD2 LEU 79 -12.438 5.710 -0.892 757 MD1 LEU 79 MD1 LEU 79 -10.106 4.868 -1.970 758 MD2 LEU 79 MD2 LEU 79 -12.680 5.011 -0.180 759 QB LEU 79 QB LEU 79 -11.276 2.342 -1.401 760 QD LEU 79 QD LEU 79 -11.393 4.939 -1.075 761 H VAL 80 H VAL 80 -13.492 0.207 -0.741 762 HA VAL 80 HA VAL 80 -15.821 1.639 -0.284 763 HB VAL 80 HB VAL 80 -15.244 -1.273 -0.812 764 1HG1 VAL 80 1HG1 VAL 80 -17.834 0.069 -0.202 765 2HG1 VAL 80 2HG1 VAL 80 -17.814 -1.077 -1.563 766 3HG1 VAL 80 3HG1 VAL 80 -17.322 -1.616 0.060 767 1HG2 VAL 80 1HG2 VAL 80 -15.335 1.084 -2.429 768 2HG2 VAL 80 2HG2 VAL 80 -15.029 -0.598 -2.925 769 3HG2 VAL 80 3HG2 VAL 80 -16.693 0.032 -2.895 770 MG1 VAL 80 MG1 VAL 80 -17.657 -0.875 -0.568 771 MG2 VAL 80 MG2 VAL 80 -15.686 0.173 -2.750 772 QG VAL 80 QG VAL 80 -16.671 -0.351 -1.659 773 H ALA 81 H ALA 81 -14.155 -0.887 1.670 774 HA ALA 81 HA ALA 81 -16.182 -1.232 3.552 775 1HB ALA 81 1HB ALA 81 -13.785 -2.388 3.025 776 2HB ALA 81 3HB ALA 81 -14.653 -2.598 4.564 777 3HB ALA 81 2HB ALA 81 -13.341 -1.402 4.439 778 MB ALA 81 MB ALA 81 -13.927 -2.129 4.009 779 H CYS 82 H CYS 82 -14.009 1.431 2.917 780 HA CYS 82 HA CYS 82 -13.923 2.466 5.530 781 1HB CYS 82 1HB CYS 82 -12.607 3.029 3.215 782 2HB CYS 82 2HB CYS 82 -13.735 4.369 3.259 783 HG CYS 82 HG CYS 82 -11.310 4.449 4.585 784 QB CYS 82 QB CYS 82 -13.171 3.699 3.237 785 H ALA 83 H ALA 83 -15.678 3.687 2.574 786 HA ALA 83 HA ALA 83 -17.358 5.413 3.893 787 1HB ALA 83 1HB ALA 83 -17.377 3.934 1.284 788 2HB ALA 83 3HB ALA 83 -17.368 5.685 1.602 789 3HB ALA 83 2HB ALA 83 -18.873 4.754 1.791 790 MB ALA 83 MB ALA 83 -17.873 4.791 1.559 791 H GLN 84 H GLN 84 -17.327 1.913 3.844 792 HA GLN 84 HA GLN 84 -20.059 1.561 4.381 793 1HB GLN 84 1HB GLN 84 -17.624 -0.213 4.829 794 2HB GLN 84 2HB GLN 84 -19.260 -0.748 5.159 795 1HG GLN 84 1HG GLN 84 -19.096 0.489 2.507 796 2HG GLN 84 2HG GLN 84 -17.919 -0.800 2.660 797 2HE2 GLN 84 1HE2 GLN 84 -18.958 -2.684 4.133 798 1HE2 GLN 84 2HE2 GLN 84 -20.445 -3.315 3.507 799 QB GLN 84 QB GLN 84 -18.442 -0.481 4.994 800 QG GLN 84 QG GLN 84 -18.507 -0.156 2.584 801 QE GLN 84 QE GLN 84 -19.701 -2.999 3.820 802 H ASN 85 H ASN 85 -17.462 2.830 6.234 803 HA ASN 85 HA ASN 85 -18.800 2.082 8.706 804 1HB ASN 85 1HB ASN 85 -16.190 1.799 8.214 805 2HB ASN 85 2HB ASN 85 -16.122 3.513 8.573 806 2HD2 ASN 85 1HD2 ASN 85 -15.904 4.114 10.592 807 1HD2 ASN 85 2HD2 ASN 85 -16.201 3.158 12.005 808 QB ASN 85 QB ASN 85 -16.156 2.656 8.393 809 QD ASN 85 QD ASN 85 -16.052 3.636 11.298 810 H GLY 86 H GLY 86 -18.311 4.596 6.383 811 1HA GLY 86 1HA GLY 86 -19.527 6.596 6.449 812 2HA GLY 86 2HA GLY 86 -19.505 6.568 8.201 813 QA GLY 86 QA GLY 86 -19.516 6.582 7.325 814 H LEU 87 H LEU 87 -16.436 5.618 7.073 815 HA LEU 87 HA LEU 87 -15.312 8.117 7.904 816 1HB LEU 87 1HB LEU 87 -13.905 5.717 6.738 817 2HB LEU 87 2HB LEU 87 -13.204 7.009 7.691 818 HG LEU 87 HG LEU 87 -15.380 5.342 8.906 819 1HD1 LEU 87 1HD1 LEU 87 -13.612 3.857 7.756 820 2HD1 LEU 87 2HD1 LEU 87 -12.515 4.425 9.038 821 3HD1 LEU 87 3HD1 LEU 87 -14.005 3.548 9.464 822 1HD2 LEU 87 1HD2 LEU 87 -13.934 7.455 9.828 823 2HD2 LEU 87 2HD2 LEU 87 -14.695 6.218 10.857 824 3HD2 LEU 87 3HD2 LEU 87 -12.970 6.088 10.435 825 MD1 LEU 87 MD1 LEU 87 -13.377 3.943 8.753 826 MD2 LEU 87 MD2 LEU 87 -13.866 6.587 10.373 827 QB LEU 87 QB LEU 87 -13.554 6.363 7.214 828 QD LEU 87 QD LEU 87 -13.622 5.265 9.563 829 H GLU 88 H GLU 88 -13.580 9.205 6.519 830 HA GLU 88 HA GLU 88 -14.652 10.342 4.373 831 1HB GLU 88 1HB GLU 88 -12.299 10.615 5.633 832 2HB GLU 88 2HB GLU 88 -11.703 9.745 4.233 833 1HG GLU 88 1HG GLU 88 -12.658 11.429 2.711 834 2HG GLU 88 2HG GLU 88 -13.435 12.254 4.048 835 HE2 GLU 88 HE2 GLU 88 -11.732 13.611 2.532 836 QB GLU 88 QB GLU 88 -12.001 10.180 4.933 837 QG GLU 88 QG GLU 88 -13.046 11.842 3.380 838 H VAL 89 H VAL 89 -14.006 10.194 1.972 839 HA VAL 89 HA VAL 89 -14.114 7.368 1.210 840 HB VAL 89 HB VAL 89 -14.777 9.759 -0.500 841 1HG1 VAL 89 1HG1 VAL 89 -14.950 6.824 -0.759 842 2HG1 VAL 89 2HG1 VAL 89 -16.422 7.700 -1.245 843 3HG1 VAL 89 3HG1 VAL 89 -14.862 8.087 -2.010 844 1HG2 VAL 89 1HG2 VAL 89 -16.626 8.248 1.376 845 2HG2 VAL 89 2HG2 VAL 89 -16.157 9.961 1.485 846 3HG2 VAL 89 3HG2 VAL 89 -17.155 9.397 0.124 847 MG1 VAL 89 MG1 VAL 89 -15.411 7.537 -1.338 848 MG2 VAL 89 MG2 VAL 89 -16.646 9.202 0.995 849 QG VAL 89 QG VAL 89 -16.029 8.369 -0.172 850 H SER 90 H SER 90 -11.858 9.715 1.738 851 HA SER 90 HA SER 90 -10.412 9.238 -0.715 852 1HB SER 90 1HB SER 90 -10.298 11.235 1.500 853 2HB SER 90 2HB SER 90 -8.749 10.802 0.805 854 HG SER 90 HG SER 90 -10.802 11.308 -1.069 855 QB SER 90 QB SER 90 -9.523 11.019 1.153 856 H LEU 91 H LEU 91 -7.979 8.705 -0.477 857 HA LEU 91 HA LEU 91 -7.724 6.304 0.932 858 1HB LEU 91 1HB LEU 91 -6.105 8.000 -0.816 859 2HB LEU 91 2HB LEU 91 -5.155 7.146 0.384 860 HG LEU 91 HG LEU 91 -7.061 5.874 -1.601 861 1HD1 LEU 91 1HD1 LEU 91 -4.474 6.837 -2.010 862 2HD1 LEU 91 2HD1 LEU 91 -4.277 5.081 -1.789 863 3HD1 LEU 91 3HD1 LEU 91 -5.378 5.703 -3.042 864 1HD2 LEU 91 1HD2 LEU 91 -5.428 4.726 0.652 865 2HD2 LEU 91 2HD2 LEU 91 -7.135 4.445 0.234 866 3HD2 LEU 91 3HD2 LEU 91 -5.845 3.751 -0.777 867 MD1 LEU 91 MD1 LEU 91 -4.710 5.874 -2.281 868 MD2 LEU 91 MD2 LEU 91 -6.136 4.308 0.036 869 QB LEU 91 QB LEU 91 -5.630 7.573 -0.216 870 QD LEU 91 QD LEU 91 -5.423 5.091 -1.122 871 H SER 92 H SER 92 -7.409 9.640 1.897 872 HA SER 92 HA SER 92 -5.506 9.521 3.817 873 1HB SER 92 1HB SER 92 -8.017 11.109 3.417 874 2HB SER 92 2HB SER 92 -7.296 11.186 5.012 875 HG SER 92 HG SER 92 -6.525 12.836 3.454 876 QB SER 92 QB SER 92 -7.656 11.147 4.215 877 H SER 93 H SER 93 -9.020 8.663 4.079 878 HA SER 93 HA SER 93 -8.781 7.952 6.795 879 1HB SER 93 1HB SER 93 -10.881 7.990 4.712 880 2HB SER 93 2HB SER 93 -11.062 6.662 5.841 881 HG SER 93 HG SER 93 -10.545 8.642 7.451 882 QB SER 93 QB SER 93 -10.972 7.326 5.277 883 H LEU 94 H LEU 94 -8.124 6.388 3.731 884 HA LEU 94 HA LEU 94 -8.537 3.723 4.504 885 1HB LEU 94 1HB LEU 94 -8.199 4.826 2.181 886 2HB LEU 94 2HB LEU 94 -6.489 4.609 2.496 887 HG LEU 94 HG LEU 94 -8.061 2.801 1.236 888 1HD1 LEU 94 1HD1 LEU 94 -5.422 2.869 2.404 889 2HD1 LEU 94 2HD1 LEU 94 -6.102 1.227 2.489 890 3HD1 LEU 94 3HD1 LEU 94 -5.992 2.064 0.922 891 1HD2 LEU 94 1HD2 LEU 94 -9.404 2.362 3.248 892 2HD2 LEU 94 2HD2 LEU 94 -8.520 0.916 2.703 893 3HD2 LEU 94 3HD2 LEU 94 -7.935 1.839 4.108 894 MD1 LEU 94 MD1 LEU 94 -5.839 2.053 1.938 895 MD2 LEU 94 MD2 LEU 94 -8.620 1.706 3.353 896 QB LEU 94 QB LEU 94 -7.344 4.718 2.338 897 QD LEU 94 QD LEU 94 -7.229 1.880 2.646 898 H SER 95 H SER 95 -5.823 6.024 4.895 899 HA SER 95 HA SER 95 -3.845 4.283 5.531 900 1HB SER 95 1HB SER 95 -2.836 6.150 6.805 901 2HB SER 95 2HB SER 95 -3.512 6.710 5.288 902 HG SER 95 HG SER 95 -5.514 6.916 7.038 903 QB SER 95 QB SER 95 -3.174 6.430 6.047 904 H LEU 96 H LEU 96 -6.783 5.035 7.287 905 HA LEU 96 HA LEU 96 -5.780 4.175 9.833 906 1HB LEU 96 1HB LEU 96 -8.640 4.598 8.975 907 2HB LEU 96 2HB LEU 96 -8.013 4.544 10.611 908 HG LEU 96 HG LEU 96 -6.861 6.626 8.823 909 1HD1 LEU 96 1HD1 LEU 96 -9.412 6.480 8.404 910 2HD1 LEU 96 2HD1 LEU 96 -9.559 7.158 10.043 911 3HD1 LEU 96 3HD1 LEU 96 -8.686 8.061 8.781 912 1HD2 LEU 96 1HD2 LEU 96 -6.236 6.268 11.234 913 2HD2 LEU 96 2HD2 LEU 96 -6.762 7.917 10.819 914 3HD2 LEU 96 3HD2 LEU 96 -7.873 6.816 11.668 915 MD1 LEU 96 MD1 LEU 96 -9.219 7.233 9.076 916 MD2 LEU 96 MD2 LEU 96 -6.957 7.000 11.240 917 QB LEU 96 QB LEU 96 -8.327 4.571 9.793 918 QD LEU 96 QD LEU 96 -8.088 7.116 10.158 919 H ALA 97 H ALA 97 -7.899 2.536 10.752 920 HA ALA 97 HA ALA 97 -7.274 0.103 9.247 921 1HB ALA 97 1HB ALA 97 -7.749 0.802 12.111 922 2HB ALA 97 3HB ALA 97 -6.630 -0.382 11.392 923 3HB ALA 97 2HB ALA 97 -8.357 -0.779 11.562 924 MB ALA 97 MB ALA 97 -7.579 -0.120 11.688 925 H VAL 98 H VAL 98 -8.899 0.877 7.590 926 HA VAL 98 HA VAL 98 -11.563 1.285 8.172 927 HB VAL 98 HB VAL 98 -11.954 0.863 5.859 928 1HG1 VAL 98 1HG1 VAL 98 -10.423 2.817 6.653 929 2HG1 VAL 98 2HG1 VAL 98 -9.128 1.906 5.840 930 3HG1 VAL 98 3HG1 VAL 98 -10.545 2.458 4.914 931 1HG2 VAL 98 1HG2 VAL 98 -10.830 -1.318 5.682 932 2HG2 VAL 98 2HG2 VAL 98 -10.321 -0.215 4.382 933 3HG2 VAL 98 3HG2 VAL 98 -9.246 -0.511 5.769 934 MG1 VAL 98 MG1 VAL 98 -10.032 2.394 5.802 935 MG2 VAL 98 MG2 VAL 98 -10.132 -0.681 5.278 936 QG VAL 98 QG VAL 98 -10.082 0.856 5.540 937 HA PRO 99 HA PRO 99 -12.998 -2.633 9.306 938 1HB PRO 99 1HB PRO 99 -15.680 -2.335 8.871 939 2HB PRO 99 2HB PRO 99 -14.869 -1.734 10.303 940 1HG PRO 99 2HG PRO 99 -15.440 0.372 9.555 941 2HG PRO 99 1HG PRO 99 -15.855 -0.224 7.960 942 1HD PRO 99 1HD PRO 99 -13.864 0.608 7.170 943 2HD PRO 99 2HD PRO 99 -13.399 1.100 8.787 944 QB PRO 99 QB PRO 99 -15.274 -2.034 9.587 945 QG PRO 99 QG PRO 99 -15.648 0.074 8.758 946 QD PRO 99 QD PRO 99 -13.631 0.854 7.979 947 HA PRO 100 HA PRO 100 -13.610 -5.239 6.008 948 1HB PRO 100 1HB PRO 100 -15.354 -7.161 6.864 949 2HB PRO 100 2HB PRO 100 -13.654 -7.152 7.289 950 1HG PRO 100 1HG PRO 100 -15.985 -6.434 8.959 951 2HG PRO 100 2HG PRO 100 -14.356 -6.839 9.463 952 1HD PRO 100 1HD PRO 100 -15.515 -4.217 9.345 953 2HD PRO 100 2HD PRO 100 -13.853 -4.612 9.738 954 QB PRO 100 QB PRO 100 -14.504 -7.157 7.077 955 QG PRO 100 QG PRO 100 -15.171 -6.636 9.211 956 QD PRO 100 QD PRO 100 -14.684 -4.415 9.542 957 HA PRO 101 HA PRO 101 -16.923 -3.929 3.687 958 1HB PRO 101 1HB PRO 101 -16.458 -5.291 1.364 959 2HB PRO 101 2HB PRO 101 -15.653 -3.788 1.772 960 1HG PRO 101 1HG PRO 101 -14.578 -6.542 1.829 961 2HG PRO 101 2HG PRO 101 -13.705 -5.023 1.815 962 1HD PRO 101 1HD PRO 101 -14.132 -6.736 4.075 963 2HD PRO 101 2HD PRO 101 -13.360 -5.162 4.084 964 QB PRO 101 QB PRO 101 -16.055 -4.540 1.568 965 QG PRO 101 QG PRO 101 -14.141 -5.782 1.822 966 QD PRO 101 QD PRO 101 -13.746 -5.949 4.079 967 H ARG 102 H ARG 102 -18.428 -5.212 1.779 968 HA ARG 102 HA ARG 102 -19.753 -7.070 3.556 969 1HB ARG 102 1HB ARG 102 -20.769 -4.974 2.107 970 2HB ARG 102 2HB ARG 102 -21.021 -6.271 0.955 971 1HG ARG 102 1HG ARG 102 -21.805 -6.930 3.757 972 2HG ARG 102 2HG ARG 102 -22.751 -5.655 3.016 973 1HD ARG 102 1HD ARG 102 -22.529 -7.622 0.993 974 2HD ARG 102 2HD ARG 102 -22.775 -8.541 2.464 975 HE ARG 102 HE ARG 102 -24.741 -6.896 1.131 976 1HH1 ARG 102 1HH1 ARG 102 -23.702 -7.910 4.364 977 2HH1 ARG 102 2HH1 ARG 102 -25.267 -7.688 5.072 978 2HH2 ARG 102 HH2 ARG 102 -27.077 -6.918 3.702 979 QB ARG 102 QB ARG 102 -20.895 -5.622 1.531 980 QG ARG 102 QG ARG 102 -22.278 -6.292 3.387 981 QD ARG 102 QD ARG 102 -22.652 -8.082 1.729 982 QH1 ARG 102 QH1 ARG 102 -24.485 -7.799 4.718 983 H PHE 103 H PHE 103 -18.067 -6.777 0.448 984 HA PHE 103 HA PHE 103 -18.882 -8.806 -1.055 985 1HB PHE 103 1HB PHE 103 -15.953 -8.426 -0.214 986 2HB PHE 103 2HB PHE 103 -16.528 -8.918 -1.795 987 HD1 PHE 103 HD1 PHE 103 -18.276 -7.105 -2.834 988 HD2 PHE 103 HD2 PHE 103 -15.176 -6.270 -0.059 989 HE1 PHE 103 HE1 PHE 103 -18.242 -4.713 -3.592 990 HE2 PHE 103 HE2 PHE 103 -15.142 -3.878 -0.817 991 HZ PHE 103 HZ PHE 103 -16.675 -3.128 -2.575 992 QB PHE 103 QB PHE 103 -16.241 -8.672 -1.005 993 QD PHE 103 QD PHE 103 -16.726 -6.688 -1.446 994 QE PHE 103 QE PHE 103 -16.692 -4.295 -2.205 995 QR PHE 103 QR PHE 103 -16.709 -5.492 -1.826 996 H HIS 104 H HIS 104 -18.057 -11.073 -1.393 997 HA HIS 104 HA HIS 104 -18.261 -12.477 1.091 998 1HB HIS 104 1HB HIS 104 -19.457 -13.273 -0.862 999 2HB HIS 104 2HB HIS 104 -17.968 -13.405 -1.777 1000 HD1 HIS 104 HD1 HIS 104 -19.772 -15.017 1.161 1001 HD2 HIS 104 HD2 HIS 104 -16.573 -15.784 -1.441 1002 HE1 HIS 104 HE1 HIS 104 -19.071 -17.434 1.584 1003 QB HIS 104 QB HIS 104 -18.713 -13.339 -1.320 1004 H ASP 105 H ASP 105 -16.681 -14.477 1.358 1005 HA ASP 105 HA ASP 105 -14.159 -13.339 1.772 1006 1HB ASP 105 1HB ASP 105 -15.586 -15.635 2.612 1007 2HB ASP 105 2HB ASP 105 -14.196 -16.280 1.762 1008 HD2 ASP 105 HD2 ASP 105 -12.111 -15.762 2.721 1009 QB ASP 105 QB ASP 105 -14.891 -15.957 2.187 No H/Q in entry = 1009 Start of MODEL 27 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.583 0.961 -1.321 3 1HB LEU 7 1HB LEU 7 2.794 -1.914 -0.613 4 2HB LEU 7 2HB LEU 7 3.281 -1.464 -2.235 5 HG LEU 7 HG LEU 7 4.378 0.183 -0.009 6 1HD1 LEU 7 1HD1 LEU 7 4.424 -2.519 0.383 7 2HD1 LEU 7 2HD1 LEU 7 5.948 -2.258 -0.498 8 3HD1 LEU 7 3HD1 LEU 7 5.631 -1.371 1.012 9 1HD2 LEU 7 1HD2 LEU 7 4.804 0.278 -2.613 10 2HD2 LEU 7 2HD2 LEU 7 6.111 0.591 -1.445 11 3HD2 LEU 7 3HD2 LEU 7 5.985 -0.999 -2.235 12 MD1 LEU 7 MD1 LEU 7 5.334 -2.049 0.299 13 MD2 LEU 7 MD2 LEU 7 5.634 -0.043 -2.098 14 QB LEU 7 QB LEU 7 3.037 -1.689 -1.424 15 QD LEU 7 QD LEU 7 5.484 -1.046 -0.899 16 H SER 8 H SER 8 2.656 -0.431 -3.734 17 HA SER 8 HA SER 8 0.264 -1.383 -4.641 18 1HB SER 8 1HB SER 8 0.437 1.612 -4.607 19 2HB SER 8 2HB SER 8 -0.216 0.880 -6.060 20 HG SER 8 HG SER 8 -1.976 1.190 -4.710 21 QB SER 8 QB SER 8 0.111 1.246 -5.333 22 H LEU 9 H LEU 9 0.153 -0.980 -7.242 23 HA LEU 9 HA LEU 9 2.461 -2.020 -8.293 24 1HB LEU 9 1HB LEU 9 0.623 -0.313 -9.932 25 2HB LEU 9 2HB LEU 9 1.463 -1.785 -10.377 26 HG LEU 9 HG LEU 9 -1.030 -1.472 -8.713 27 1HD1 LEU 9 1HD1 LEU 9 -0.354 -2.424 -11.401 28 2HD1 LEU 9 2HD1 LEU 9 -1.390 -3.544 -10.484 29 3HD1 LEU 9 3HD1 LEU 9 -1.903 -1.858 -10.733 30 1HD2 LEU 9 1HD2 LEU 9 1.058 -3.409 -8.278 31 2HD2 LEU 9 2HD2 LEU 9 -0.476 -3.176 -7.406 32 3HD2 LEU 9 3HD2 LEU 9 -0.422 -4.217 -8.849 33 MD1 LEU 9 MD1 LEU 9 -1.216 -2.609 -10.873 34 MD2 LEU 9 MD2 LEU 9 0.053 -3.601 -8.178 35 QB LEU 9 QB LEU 9 1.043 -1.049 -10.155 36 QD LEU 9 QD LEU 9 -0.581 -3.105 -9.525 37 H THR 10 H THR 10 1.465 1.405 -7.881 38 HA THR 10 HA THR 10 3.329 2.665 -9.429 39 HB THR 10 HB THR 10 2.132 3.327 -6.694 40 HG1 THR 10 HG1 THR 10 0.596 4.236 -8.083 41 1HG2 THR 10 1HG2 THR 10 4.339 4.650 -7.707 42 2HG2 THR 10 2HG2 THR 10 3.015 5.509 -8.532 43 3HG2 THR 10 3HG2 THR 10 3.062 5.443 -6.754 44 MG THR 10 MG THR 10 3.472 5.201 -7.664 45 H GLN 11 H GLN 11 3.863 2.300 -5.867 46 HA GLN 11 HA GLN 11 6.556 2.788 -6.072 47 1HB GLN 11 1HB GLN 11 4.661 1.932 -4.022 48 2HB GLN 11 2HB GLN 11 6.196 1.113 -3.811 49 1HG GLN 11 1HG GLN 11 5.957 4.131 -4.202 50 2HG GLN 11 2HG GLN 11 5.986 3.370 -2.624 51 2HE2 GLN 11 1HE2 GLN 11 7.867 5.141 -3.049 52 1HE2 GLN 11 2HE2 GLN 11 9.426 4.437 -3.323 53 QB GLN 11 QB GLN 11 5.428 1.522 -3.917 54 QG GLN 11 QG GLN 11 5.971 3.750 -3.413 55 QE GLN 11 QE GLN 11 8.646 4.789 -3.186 56 H LEU 12 H LEU 12 4.680 -0.204 -6.496 57 HA LEU 12 HA LEU 12 6.749 -2.040 -6.189 58 1HB LEU 12 1HB LEU 12 4.188 -2.330 -6.405 59 2HB LEU 12 2HB LEU 12 4.482 -2.370 -8.132 60 HG LEU 12 HG LEU 12 4.323 -4.618 -7.242 61 1HD1 LEU 12 1HD1 LEU 12 6.084 -3.862 -9.047 62 2HD1 LEU 12 2HD1 LEU 12 7.252 -4.365 -7.801 63 3HD1 LEU 12 3HD1 LEU 12 6.060 -5.530 -8.427 64 1HD2 LEU 12 1HD2 LEU 12 5.023 -4.111 -4.930 65 2HD2 LEU 12 2HD2 LEU 12 5.869 -5.521 -5.611 66 3HD2 LEU 12 3HD2 LEU 12 6.705 -3.954 -5.491 67 MD1 LEU 12 MD1 LEU 12 6.465 -4.586 -8.425 68 MD2 LEU 12 MD2 LEU 12 5.866 -4.529 -5.344 69 QB LEU 12 QB LEU 12 4.335 -2.350 -7.268 70 QD LEU 12 QD LEU 12 6.165 -4.557 -6.885 71 H SER 13 H SER 13 6.257 0.436 -8.545 72 HA SER 13 HA SER 13 8.533 -0.583 -9.975 73 1HB SER 13 1HB SER 13 5.947 -1.002 -11.010 74 2HB SER 13 2HB SER 13 6.526 0.405 -11.879 75 HG SER 13 HG SER 13 8.143 -1.968 -11.585 76 QB SER 13 QB SER 13 6.236 -0.298 -11.445 77 H SER 14 H SER 14 8.181 1.589 -8.109 78 HA SER 14 HA SER 14 8.269 3.775 -7.883 79 1HB SER 14 1HB SER 14 10.471 2.802 -9.362 80 2HB SER 14 2HB SER 14 10.033 4.296 -10.166 81 HG SER 14 HG SER 14 10.941 5.358 -8.556 82 QB SER 14 QB SER 14 10.252 3.549 -9.764 83 H GLY 15 H GLY 15 6.091 2.861 -9.699 84 1HA GLY 15 1HA GLY 15 4.432 4.117 -10.688 85 2HA GLY 15 2HA GLY 15 5.559 5.431 -10.963 86 QA GLY 15 QA GLY 15 4.996 4.774 -10.825 87 H ASN 16 H ASN 16 5.344 1.913 -11.892 88 HA ASN 16 HA ASN 16 5.652 2.800 -14.642 89 1HB ASN 16 1HB ASN 16 7.772 1.703 -13.349 90 2HB ASN 16 2HB ASN 16 6.960 0.213 -13.788 91 2HD2 ASN 16 1HD2 ASN 16 9.482 1.537 -14.684 92 1HD2 ASN 16 2HD2 ASN 16 9.407 1.598 -16.414 93 QB ASN 16 QB ASN 16 7.366 0.958 -13.568 94 QD ASN 16 QD ASN 16 9.445 1.568 -15.549 95 HA PRO 17 HA PRO 17 2.213 -0.037 -14.564 96 1HB PRO 17 1HB PRO 17 1.071 0.758 -16.916 97 2HB PRO 17 2HB PRO 17 0.724 1.520 -15.376 98 1HG PRO 17 1HG PRO 17 2.396 2.516 -17.601 99 2HG PRO 17 2HG PRO 17 1.698 3.412 -16.266 100 1HD PRO 17 1HD PRO 17 4.435 2.600 -16.543 101 2HD PRO 17 2HD PRO 17 3.712 3.393 -15.158 102 QB PRO 17 QB PRO 17 0.897 1.139 -16.146 103 QG PRO 17 QG PRO 17 2.047 2.964 -16.934 104 QD PRO 17 QD PRO 17 4.074 2.997 -15.851 105 H VAL 18 H VAL 18 4.969 -0.057 -16.266 106 HA VAL 18 HA VAL 18 4.582 -1.611 -18.444 107 HB VAL 18 HB VAL 18 6.717 -0.719 -17.805 108 1HG1 VAL 18 1HG1 VAL 18 6.146 -1.561 -15.259 109 2HG1 VAL 18 2HG1 VAL 18 7.378 -2.742 -15.764 110 3HG1 VAL 18 3HG1 VAL 18 7.740 -1.000 -15.817 111 1HG2 VAL 18 1HG2 VAL 18 6.736 -2.664 -19.287 112 2HG2 VAL 18 2HG2 VAL 18 8.163 -2.674 -18.223 113 3HG2 VAL 18 3HG2 VAL 18 6.790 -3.755 -17.882 114 MG1 VAL 18 MG1 VAL 18 7.088 -1.768 -15.614 115 MG2 VAL 18 MG2 VAL 18 7.230 -3.031 -18.464 116 QG VAL 18 QG VAL 18 7.159 -2.399 -17.039 117 H TYR 19 H TYR 19 4.514 -2.598 -14.991 118 HA TYR 19 HA TYR 19 4.410 -5.366 -15.493 119 1HB TYR 19 1HB TYR 19 3.687 -3.370 -13.298 120 2HB TYR 19 2HB TYR 19 3.191 -5.037 -13.085 121 HD1 TYR 19 HD1 TYR 19 6.305 -3.219 -14.159 122 HD2 TYR 19 HD2 TYR 19 4.589 -6.326 -11.771 123 HE1 TYR 19 HE1 TYR 19 8.605 -3.793 -13.241 124 HE2 TYR 19 HE2 TYR 19 6.895 -6.890 -10.861 125 HH TYR 19 HH TYR 19 9.249 -6.643 -11.647 126 QB TYR 19 QB TYR 19 3.439 -4.203 -13.191 127 QD TYR 19 QD TYR 19 5.447 -4.773 -12.965 128 QE TYR 19 QE TYR 19 7.750 -5.342 -12.051 129 QR TYR 19 QR TYR 19 6.599 -5.057 -12.508 130 H GLU 20 H GLU 20 1.923 -2.786 -15.278 131 HA GLU 20 HA GLU 20 -0.266 -4.438 -15.040 132 1HB GLU 20 1HB GLU 20 0.266 -1.651 -15.498 133 2HB GLU 20 2HB GLU 20 -0.937 -2.152 -16.669 134 1HG GLU 20 1HG GLU 20 -1.458 -3.258 -13.979 135 2HG GLU 20 2HG GLU 20 -1.421 -1.506 -13.984 136 HE2 GLU 20 HE2 GLU 20 -4.417 -1.248 -15.694 137 QB GLU 20 QB GLU 20 -0.336 -1.902 -16.084 138 QG GLU 20 QG GLU 20 -1.439 -2.382 -13.981 139 H LYS 21 H LYS 21 1.706 -3.510 -17.865 140 HA LYS 21 HA LYS 21 -0.008 -4.164 -19.906 141 1HB LYS 21 1HB LYS 21 2.999 -4.380 -19.653 142 2HB LYS 21 2HB LYS 21 2.154 -4.711 -21.152 143 1HG LYS 21 1HG LYS 21 1.249 -2.192 -19.915 144 2HG LYS 21 2HG LYS 21 2.974 -2.184 -20.223 145 1HD LYS 21 1HD LYS 21 2.690 -2.530 -22.565 146 2HD LYS 21 2HD LYS 21 1.055 -3.133 -22.375 147 1HE LYS 21 1HE LYS 21 0.135 -0.993 -22.136 148 2HE LYS 21 2HE LYS 21 1.599 -0.318 -21.451 149 QB LYS 21 QB LYS 21 2.576 -4.546 -20.402 150 QD LYS 21 QD LYS 21 1.872 -2.831 -22.470 151 QG LYS 21 QG LYS 21 2.111 -2.188 -20.069 152 QE LYS 21 QE LYS 21 0.867 -0.656 -21.793 153 QZ LYS 21 QZ LYS 21 1.889 0.033 -23.704 154 H TYR 22 H TYR 22 2.317 -6.334 -18.154 155 HA TYR 22 HA TYR 22 1.467 -8.647 -19.529 156 1HB TYR 22 1HB TYR 22 2.678 -8.294 -16.720 157 2HB TYR 22 2HB TYR 22 2.852 -9.711 -17.737 158 HD1 TYR 22 HD1 TYR 22 3.564 -8.549 -20.354 159 HD2 TYR 22 HD2 TYR 22 4.829 -7.439 -16.420 160 HE1 TYR 22 HE1 TYR 22 5.718 -7.593 -21.308 161 HE2 TYR 22 HE2 TYR 22 6.978 -6.487 -17.388 162 HH TYR 22 HH TYR 22 7.403 -6.103 -20.800 163 QB TYR 22 QB TYR 22 2.765 -9.003 -17.228 164 QD TYR 22 QD TYR 22 4.197 -7.994 -18.387 165 QE TYR 22 QE TYR 22 6.348 -7.040 -19.348 166 QR TYR 22 QR TYR 22 5.272 -7.517 -18.868 167 H TYR 23 H TYR 23 0.618 -7.193 -16.327 168 HA TYR 23 HA TYR 23 -0.912 -9.233 -15.323 169 1HB TYR 23 1HB TYR 23 -0.296 -7.128 -14.139 170 2HB TYR 23 2HB TYR 23 -1.161 -6.165 -15.320 171 HD1 TYR 23 HD1 TYR 23 -1.884 -9.003 -12.961 172 HD2 TYR 23 HD2 TYR 23 -3.211 -5.311 -14.667 173 HE1 TYR 23 HE1 TYR 23 -3.963 -9.067 -11.500 174 HE2 TYR 23 HE2 TYR 23 -5.287 -5.388 -13.200 175 HH TYR 23 HH TYR 23 -5.921 -6.398 -11.034 176 QB TYR 23 QB TYR 23 -0.728 -6.646 -14.730 177 QD TYR 23 QD TYR 23 -2.547 -7.157 -13.814 178 QE TYR 23 QE TYR 23 -4.625 -7.227 -12.350 179 QR TYR 23 QR TYR 23 -3.586 -7.192 -13.082 180 H ARG 24 H ARG 24 -1.618 -7.005 -17.987 181 HA ARG 24 HA ARG 24 -4.405 -7.592 -17.886 182 1HB ARG 24 1HB ARG 24 -3.335 -5.386 -18.701 183 2HB ARG 24 2HB ARG 24 -2.857 -6.246 -20.151 184 1HG ARG 24 1HG ARG 24 -5.739 -6.487 -19.333 185 2HG ARG 24 2HG ARG 24 -5.222 -4.924 -19.934 186 1HD ARG 24 1HD ARG 24 -4.257 -7.224 -21.561 187 2HD ARG 24 2HD ARG 24 -6.001 -7.055 -21.530 188 HE ARG 24 HE ARG 24 -4.862 -4.469 -21.970 189 1HH1 ARG 24 1HH1 ARG 24 -5.249 -7.564 -23.651 190 2HH1 ARG 24 2HH1 ARG 24 -5.220 -6.852 -25.229 191 2HH2 ARG 24 HH2 ARG 24 -4.970 -4.478 -25.442 192 QB ARG 24 QB ARG 24 -3.096 -5.816 -19.425 193 QG ARG 24 QG ARG 24 -5.481 -5.705 -19.633 194 QD ARG 24 QD ARG 24 -5.129 -7.140 -21.546 195 QH1 ARG 24 QH1 ARG 24 -5.235 -7.208 -24.440 196 H GLN 25 H GLN 25 -1.473 -8.774 -19.478 197 HA GLN 25 HA GLN 25 -2.652 -9.972 -21.678 198 1HB GLN 25 1HB GLN 25 -0.082 -10.347 -20.150 199 2HB GLN 25 2HB GLN 25 -0.517 -11.556 -21.341 200 1HG GLN 25 1HG GLN 25 -1.021 -9.097 -22.639 201 2HG GLN 25 2HG GLN 25 0.461 -8.814 -21.747 202 2HE2 GLN 25 1HE2 GLN 25 1.434 -11.471 -21.727 203 1HE2 GLN 25 2HE2 GLN 25 1.950 -11.897 -23.325 204 QB GLN 25 QB GLN 25 -0.300 -10.952 -20.745 205 QG GLN 25 QG GLN 25 -0.280 -8.956 -22.193 206 QE GLN 25 QE GLN 25 1.692 -11.684 -22.526 207 H VAL 26 H VAL 26 -2.223 -11.034 -18.283 208 HA VAL 26 HA VAL 26 -3.080 -13.706 -18.822 209 HB VAL 26 HB VAL 26 -2.613 -14.106 -16.630 210 1HG1 VAL 26 1HG1 VAL 26 -0.726 -12.785 -17.887 211 2HG1 VAL 26 2HG1 VAL 26 -1.077 -11.522 -16.683 212 3HG1 VAL 26 3HG1 VAL 26 -0.563 -13.141 -16.151 213 1HG2 VAL 26 1HG2 VAL 26 -3.638 -11.319 -16.077 214 2HG2 VAL 26 2HG2 VAL 26 -4.258 -12.880 -15.488 215 3HG2 VAL 26 3HG2 VAL 26 -2.724 -12.237 -14.856 216 MG1 VAL 26 MG1 VAL 26 -0.788 -12.482 -16.907 217 MG2 VAL 26 MG2 VAL 26 -3.540 -12.145 -15.474 218 QG VAL 26 QG VAL 26 -2.164 -12.314 -16.190 219 H GLU 27 H GLU 27 -4.551 -10.643 -17.646 220 HA GLU 27 HA GLU 27 -6.877 -11.458 -16.670 221 1HB GLU 27 1HB GLU 27 -6.153 -9.083 -16.963 222 2HB GLU 27 2HB GLU 27 -6.531 -9.181 -18.671 223 1HG GLU 27 1HG GLU 27 -8.879 -10.112 -17.452 224 2HG GLU 27 2HG GLU 27 -8.348 -8.843 -16.366 225 HE2 GLU 27 HE2 GLU 27 -10.062 -9.391 -19.000 226 QB GLU 27 QB GLU 27 -6.342 -9.132 -17.817 227 QG GLU 27 QG GLU 27 -8.613 -9.477 -16.909 228 H ALA 28 H ALA 28 -8.967 -12.085 -17.431 229 HA ALA 28 HA ALA 28 -9.021 -12.859 -20.267 230 1HB ALA 28 2HB ALA 28 -10.427 -14.815 -19.460 231 2HB ALA 28 3HB ALA 28 -8.711 -14.871 -18.987 232 3HB ALA 28 1HB ALA 28 -9.946 -14.380 -17.802 233 MB ALA 28 MB ALA 28 -9.695 -14.688 -18.750 234 H GLY 29 H GLY 29 -11.009 -12.551 -21.355 235 1HA GLY 29 1HA GLY 29 -13.137 -11.822 -21.660 236 2HA GLY 29 2HA GLY 29 -13.345 -11.678 -19.926 237 QA GLY 29 QA GLY 29 -13.241 -11.750 -20.793 238 H ASN 30 H ASN 30 -14.512 -9.626 -20.754 239 HA ASN 30 HA ASN 30 -12.517 -7.517 -21.035 240 1HB ASN 30 1HB ASN 30 -15.227 -7.947 -22.290 241 2HB ASN 30 2HB ASN 30 -14.791 -6.295 -21.905 242 2HD2 ASN 30 1HD2 ASN 30 -13.714 -5.202 -23.356 243 1HD2 ASN 30 2HD2 ASN 30 -12.758 -5.837 -24.653 244 QB ASN 30 QB ASN 30 -15.009 -7.121 -22.097 245 QD ASN 30 QD ASN 30 -13.236 -5.520 -24.004 246 H THR 31 H THR 31 -13.003 -8.369 -18.463 247 HA THR 31 HA THR 31 -15.069 -6.552 -17.416 248 HB THR 31 HB THR 31 -15.048 -8.100 -15.453 249 HG1 THR 31 HG1 THR 31 -13.192 -9.297 -15.340 250 1HG2 THR 31 1HG2 THR 31 -15.597 -9.050 -18.225 251 2HG2 THR 31 2HG2 THR 31 -15.290 -10.354 -17.053 252 3HG2 THR 31 3HG2 THR 31 -16.604 -9.189 -16.764 253 MG THR 31 MG THR 31 -15.830 -9.531 -17.347 254 H GLY 32 H GLY 32 -11.629 -7.371 -17.461 255 1HA GLY 32 1HA GLY 32 -9.967 -5.834 -16.972 256 2HA GLY 32 2HA GLY 32 -11.097 -4.878 -16.033 257 QA GLY 32 QA GLY 32 -10.532 -5.356 -16.503 258 H ARG 33 H ARG 33 -10.995 -8.401 -15.612 259 HA ARG 33 HA ARG 33 -9.466 -7.979 -13.176 260 1HB ARG 33 1HB ARG 33 -12.063 -9.551 -13.515 261 2HB ARG 33 2HB ARG 33 -11.014 -9.770 -12.129 262 1HG ARG 33 1HG ARG 33 -11.722 -6.935 -12.791 263 2HG ARG 33 2HG ARG 33 -13.042 -7.934 -12.217 264 1HD ARG 33 1HD ARG 33 -11.193 -8.647 -10.369 265 2HD ARG 33 2HD ARG 33 -10.543 -7.071 -10.772 266 HE ARG 33 HE ARG 33 -12.308 -6.115 -9.592 267 1HH1 ARG 33 1HH1 ARG 33 -13.323 -9.335 -10.664 268 2HH1 ARG 33 2HH1 ARG 33 -14.856 -9.256 -9.861 269 2HH2 ARG 33 HH2 ARG 33 -15.427 -7.291 -8.613 270 QB ARG 33 QB ARG 33 -11.539 -9.661 -12.822 271 QG ARG 33 QG ARG 33 -12.382 -7.434 -12.504 272 QD ARG 33 QD ARG 33 -10.868 -7.859 -10.570 273 QH1 ARG 33 QH1 ARG 33 -14.090 -9.296 -10.262 274 H VAL 34 H VAL 34 -8.137 -9.803 -12.530 275 HA VAL 34 HA VAL 34 -7.609 -11.614 -14.742 276 HB VAL 34 HB VAL 34 -5.693 -10.528 -13.951 277 1HG1 VAL 34 1HG1 VAL 34 -6.784 -11.085 -11.194 278 2HG1 VAL 34 2HG1 VAL 34 -5.059 -10.729 -11.446 279 3HG1 VAL 34 3HG1 VAL 34 -6.292 -9.536 -11.919 280 1HG2 VAL 34 1HG2 VAL 34 -5.705 -13.150 -14.115 281 2HG2 VAL 34 2HG2 VAL 34 -4.281 -12.298 -13.472 282 3HG2 VAL 34 3HG2 VAL 34 -5.438 -13.064 -12.358 283 MG1 VAL 34 MG1 VAL 34 -6.045 -10.450 -11.520 284 MG2 VAL 34 MG2 VAL 34 -5.141 -12.837 -13.315 285 QG VAL 34 QG VAL 34 -5.593 -11.644 -12.417 286 H LEU 35 H LEU 35 -8.572 -13.571 -14.805 287 HA LEU 35 HA LEU 35 -10.146 -14.544 -12.738 288 1HB LEU 35 1HB LEU 35 -9.334 -15.317 -15.389 289 2HB LEU 35 2HB LEU 35 -9.314 -16.715 -14.333 290 HG LEU 35 HG LEU 35 -11.683 -14.861 -14.705 291 1HD1 LEU 35 1HD1 LEU 35 -10.846 -16.423 -16.655 292 2HD1 LEU 35 2HD1 LEU 35 -11.648 -17.685 -15.690 293 3HD1 LEU 35 3HD1 LEU 35 -12.577 -16.280 -16.265 294 1HD2 LEU 35 1HD2 LEU 35 -11.164 -17.207 -12.938 295 2HD2 LEU 35 2HD2 LEU 35 -12.127 -15.738 -12.650 296 3HD2 LEU 35 3HD2 LEU 35 -12.781 -17.046 -13.665 297 MD1 LEU 35 MD1 LEU 35 -11.690 -16.796 -16.203 298 MD2 LEU 35 MD2 LEU 35 -12.024 -16.663 -13.085 299 QB LEU 35 QB LEU 35 -9.324 -16.016 -14.861 300 QD LEU 35 QD LEU 35 -11.857 -16.730 -14.644 301 H ALA 36 H ALA 36 -6.732 -14.368 -13.004 302 HA ALA 36 HA ALA 36 -5.252 -14.918 -11.392 303 1HB ALA 36 3HB ALA 36 -5.837 -16.089 -9.448 304 2HB ALA 36 1HB ALA 36 -7.379 -15.341 -9.926 305 3HB ALA 36 2HB ALA 36 -7.074 -17.058 -10.284 306 MB ALA 36 MB ALA 36 -6.763 -16.163 -9.886 307 H LEU 37 H LEU 37 -7.215 -17.768 -12.513 308 HA LEU 37 HA LEU 37 -5.210 -19.603 -12.640 309 1HB LEU 37 1HB LEU 37 -7.783 -19.168 -14.048 310 2HB LEU 37 2HB LEU 37 -6.679 -20.317 -14.776 311 HG LEU 37 HG LEU 37 -8.441 -21.224 -13.172 312 1HD1 LEU 37 1HD1 LEU 37 -6.260 -22.342 -13.977 313 2HD1 LEU 37 2HD1 LEU 37 -5.656 -22.006 -12.337 314 3HD1 LEU 37 3HD1 LEU 37 -7.098 -23.025 -12.563 315 1HD2 LEU 37 1HD2 LEU 37 -6.604 -19.899 -11.166 316 2HD2 LEU 37 2HD2 LEU 37 -8.350 -19.642 -11.394 317 3HD2 LEU 37 3HD2 LEU 37 -7.755 -21.193 -10.755 318 MD1 LEU 37 MD1 LEU 37 -6.338 -22.458 -12.959 319 MD2 LEU 37 MD2 LEU 37 -7.569 -20.245 -11.105 320 QB LEU 37 QB LEU 37 -7.231 -19.743 -14.412 321 QD LEU 37 QD LEU 37 -6.954 -21.351 -12.032 322 H ASP 38 H ASP 38 -5.965 -16.942 -14.921 323 HA ASP 38 HA ASP 38 -4.147 -17.838 -16.862 324 1HB ASP 38 1HB ASP 38 -6.057 -15.734 -16.540 325 2HB ASP 38 2HB ASP 38 -4.529 -14.947 -16.888 326 HD2 ASP 38 HD2 ASP 38 -3.731 -16.331 -19.557 327 QB ASP 38 QB ASP 38 -5.293 -15.340 -16.714 328 H ALA 39 H ALA 39 -4.033 -15.784 -13.943 329 HA ALA 39 HA ALA 39 -1.672 -14.402 -14.445 330 1HB ALA 39 1HB ALA 39 -3.394 -14.005 -12.626 331 2HB ALA 39 2HB ALA 39 -2.689 -15.387 -11.754 332 3HB ALA 39 3HB ALA 39 -1.700 -13.944 -12.082 333 MB ALA 39 MB ALA 39 -2.594 -14.445 -12.154 334 H ALA 40 H ALA 40 -2.314 -17.684 -13.114 335 HA ALA 40 HA ALA 40 0.389 -18.165 -12.418 336 1HB ALA 40 1HB ALA 40 -2.122 -19.813 -12.743 337 2HB ALA 40 3HB ALA 40 -1.186 -19.466 -11.270 338 3HB ALA 40 2HB ALA 40 -0.552 -20.608 -12.478 339 MB ALA 40 MB ALA 40 -1.287 -19.962 -12.164 340 H ALA 41 H ALA 41 -1.552 -18.404 -15.379 341 HA ALA 41 HA ALA 41 0.097 -20.192 -16.767 342 1HB ALA 41 1HB ALA 41 -2.316 -19.110 -17.209 343 2HB ALA 41 3HB ALA 41 -1.309 -19.741 -18.534 344 3HB ALA 41 2HB ALA 41 -1.348 -17.993 -18.200 345 MB ALA 41 MB ALA 41 -1.658 -18.948 -17.981 346 H PHE 42 H PHE 42 -0.051 -16.558 -16.794 347 HA PHE 42 HA PHE 42 2.127 -16.223 -18.480 348 1HB PHE 42 1HB PHE 42 0.604 -14.390 -17.985 349 2HB PHE 42 2HB PHE 42 0.752 -14.634 -16.256 350 HD1 PHE 42 HD1 PHE 42 2.407 -13.262 -19.238 351 HD2 PHE 42 HD2 PHE 42 2.552 -13.643 -15.014 352 HE1 PHE 42 HE1 PHE 42 4.170 -11.478 -19.138 353 HE2 PHE 42 HE2 PHE 42 4.315 -11.858 -14.914 354 HZ PHE 42 HZ PHE 42 5.103 -10.797 -16.977 355 QB PHE 42 QB PHE 42 0.678 -14.512 -17.121 356 QD PHE 42 QD PHE 42 2.480 -13.452 -17.126 357 QE PHE 42 QE PHE 42 4.242 -11.668 -17.026 358 QR PHE 42 QR PHE 42 3.361 -12.560 -17.076 359 H LEU 43 H LEU 43 1.911 -16.541 -14.896 360 HA LEU 43 HA LEU 43 4.537 -15.829 -14.331 361 1HB LEU 43 1HB LEU 43 2.534 -17.595 -12.938 362 2HB LEU 43 2HB LEU 43 4.125 -17.282 -12.273 363 HG LEU 43 HG LEU 43 2.079 -15.142 -12.926 364 1HD1 LEU 43 1HD1 LEU 43 2.792 -16.439 -10.282 365 2HD1 LEU 43 2HD1 LEU 43 1.820 -14.958 -10.458 366 3HD1 LEU 43 3HD1 LEU 43 1.228 -16.496 -11.131 367 1HD2 LEU 43 1HD2 LEU 43 4.891 -15.079 -11.952 368 2HD2 LEU 43 2HD2 LEU 43 3.997 -13.927 -12.973 369 3HD2 LEU 43 3HD2 LEU 43 3.738 -13.942 -11.212 370 MD1 LEU 43 MD1 LEU 43 1.947 -15.964 -10.624 371 MD2 LEU 43 MD2 LEU 43 4.209 -14.316 -12.046 372 QB LEU 43 QB LEU 43 3.329 -17.438 -12.606 373 QD LEU 43 QD LEU 43 3.078 -15.140 -11.335 374 H LYS 44 H LYS 44 3.056 -19.022 -15.155 375 HA LYS 44 HA LYS 44 5.300 -20.574 -14.777 376 1HB LYS 44 1HB LYS 44 2.935 -20.816 -16.643 377 2HB LYS 44 2HB LYS 44 4.185 -22.042 -16.567 378 1HG LYS 44 1HG LYS 44 3.463 -21.393 -13.857 379 2HG LYS 44 2HG LYS 44 1.973 -21.614 -14.752 380 1HD LYS 44 1HD LYS 44 4.195 -23.626 -15.139 381 2HD LYS 44 2HD LYS 44 3.253 -23.698 -13.663 382 1HE LYS 44 2HE LYS 44 1.331 -23.375 -15.724 383 2HE LYS 44 1HE LYS 44 1.650 -24.830 -14.800 384 QB LYS 44 QB LYS 44 3.560 -21.429 -16.605 385 QD LYS 44 QD LYS 44 3.724 -23.662 -14.401 386 QG LYS 44 QG LYS 44 2.718 -21.503 -14.304 387 QE LYS 44 QE LYS 44 1.491 -24.103 -15.262 388 QZ LYS 44 QZ LYS 44 2.734 -25.330 -16.772 389 H LYS 45 H LYS 45 4.693 -18.064 -17.107 390 HA LYS 45 HA LYS 45 6.539 -19.078 -19.051 391 1HB LYS 45 2HB LYS 45 6.053 -17.089 -20.271 392 2HB LYS 45 1HB LYS 45 5.437 -16.268 -18.851 393 1HG LYS 45 1HG LYS 45 4.160 -18.839 -19.863 394 2HG LYS 45 2HG LYS 45 3.477 -17.665 -18.755 395 1HD LYS 45 1HD LYS 45 3.254 -16.001 -20.524 396 2HD LYS 45 2HD LYS 45 4.189 -16.976 -21.640 397 1HE LYS 45 1HE LYS 45 1.831 -18.387 -20.501 398 2HE LYS 45 2HE LYS 45 1.418 -16.979 -21.460 399 QB LYS 45 QB LYS 45 5.745 -16.679 -19.561 400 QD LYS 45 QD LYS 45 3.722 -16.489 -21.082 401 QG LYS 45 QG LYS 45 3.818 -18.252 -19.309 402 QE LYS 45 QE LYS 45 1.625 -17.683 -20.981 403 QZ LYS 45 QZ LYS 45 2.593 -19.075 -22.583 404 H SER 46 H SER 46 7.004 -18.104 -15.955 405 HA SER 46 HA SER 46 9.051 -16.201 -16.322 406 1HB SER 46 2HB SER 46 7.660 -16.509 -14.226 407 2HB SER 46 1HB SER 46 9.385 -16.379 -13.945 408 HG SER 46 HG SER 46 7.727 -18.734 -13.860 409 QB SER 46 QB SER 46 8.522 -16.444 -14.085 410 H GLY 47 H GLY 47 9.218 -19.567 -14.933 411 1HA GLY 47 1HA GLY 47 10.917 -20.822 -16.571 412 2HA GLY 47 2HA GLY 47 12.011 -19.758 -15.708 413 QA GLY 47 QA GLY 47 11.464 -20.290 -16.140 414 H LEU 48 H LEU 48 10.190 -19.817 -13.239 415 HA LEU 48 HA LEU 48 11.497 -21.938 -11.944 416 1HB LEU 48 1HB LEU 48 9.395 -19.938 -11.250 417 2HB LEU 48 2HB LEU 48 9.608 -21.320 -10.193 418 HG LEU 48 HG LEU 48 11.955 -19.599 -10.980 419 1HD1 LEU 48 1HD1 LEU 48 9.872 -19.039 -8.873 420 2HD1 LEU 48 2HD1 LEU 48 11.541 -18.435 -8.735 421 3HD1 LEU 48 3HD1 LEU 48 10.532 -17.952 -10.119 422 1HD2 LEU 48 1HD2 LEU 48 11.371 -21.518 -8.720 423 2HD2 LEU 48 2HD2 LEU 48 12.635 -21.622 -9.970 424 3HD2 LEU 48 3HD2 LEU 48 12.741 -20.381 -8.698 425 MD1 LEU 48 MD1 LEU 48 10.648 -18.475 -9.242 426 MD2 LEU 48 MD2 LEU 48 12.249 -21.173 -9.129 427 QB LEU 48 QB LEU 48 9.501 -20.629 -10.721 428 QD LEU 48 QD LEU 48 11.449 -19.824 -9.186 429 HA PRO 49 HA PRO 49 8.767 -25.231 -12.509 430 1HB PRO 49 1HB PRO 49 8.846 -26.566 -10.126 431 2HB PRO 49 2HB PRO 49 10.108 -26.689 -11.335 432 1HG PRO 49 2HG PRO 49 11.484 -25.689 -9.777 433 2HG PRO 49 1HG PRO 49 10.129 -25.206 -8.778 434 1HD PRO 49 1HD PRO 49 10.351 -23.062 -9.576 435 2HD PRO 49 2HD PRO 49 11.630 -23.572 -10.661 436 QB PRO 49 QB PRO 49 9.477 -26.628 -10.730 437 QG PRO 49 QG PRO 49 10.807 -25.448 -9.277 438 QD PRO 49 QD PRO 49 10.991 -23.317 -10.118 439 H ASP 50 H ASP 50 7.007 -26.667 -10.972 440 HA ASP 50 HA ASP 50 4.986 -24.618 -10.720 441 1HB ASP 50 1HB ASP 50 4.521 -26.648 -12.094 442 2HB ASP 50 2HB ASP 50 4.805 -27.668 -10.697 443 HD2 ASP 50 HD2 ASP 50 2.079 -25.348 -11.746 444 QB ASP 50 QB ASP 50 4.663 -27.158 -11.395 445 H LEU 51 H LEU 51 6.748 -27.192 -8.934 446 HA LEU 51 HA LEU 51 5.189 -27.215 -6.625 447 1HB LEU 51 1HB LEU 51 6.679 -28.704 -5.897 448 2HB LEU 51 2HB LEU 51 7.228 -28.673 -7.561 449 HG LEU 51 HG LEU 51 8.460 -26.786 -5.576 450 1HD1 LEU 51 1HD1 LEU 51 8.516 -29.673 -5.355 451 2HD1 LEU 51 2HD1 LEU 51 10.144 -29.019 -5.653 452 3HD1 LEU 51 3HD1 LEU 51 9.188 -28.430 -4.272 453 1HD2 LEU 51 1HD2 LEU 51 8.833 -27.228 -8.271 454 2HD2 LEU 51 2HD2 LEU 51 9.976 -26.419 -7.172 455 3HD2 LEU 51 3HD2 LEU 51 10.159 -28.154 -7.527 456 MD1 LEU 51 MD1 LEU 51 9.283 -29.041 -5.094 457 MD2 LEU 51 MD2 LEU 51 9.656 -27.267 -7.657 458 QB LEU 51 QB LEU 51 6.953 -28.688 -6.729 459 QD LEU 51 QD LEU 51 9.469 -28.154 -6.375 460 H ILE 52 H ILE 52 8.225 -25.377 -7.398 461 HA ILE 52 HA ILE 52 8.237 -23.962 -4.985 462 HB ILE 52 HB ILE 52 9.518 -23.606 -7.671 463 1HG1 ILE 52 1HG1 ILE 52 10.141 -25.225 -5.592 464 2HG1 ILE 52 2HG1 ILE 52 11.305 -24.612 -6.750 465 1HG2 ILE 52 1HG2 ILE 52 9.432 -21.622 -5.417 466 2HG2 ILE 52 2HG2 ILE 52 10.885 -21.769 -6.435 467 3HG2 ILE 52 3HG2 ILE 52 9.319 -21.356 -7.174 468 1HD1 ILE 52 1HD1 ILE 52 10.618 -22.987 -4.283 469 2HD1 ILE 52 2HD1 ILE 52 11.804 -24.312 -4.198 470 3HD1 ILE 52 3HD1 ILE 52 12.090 -22.929 -5.282 471 MG ILE 52 MG ILE 52 9.878 -21.582 -6.342 472 MD ILE 52 MD ILE 52 11.504 -23.409 -4.588 473 QG ILE 52 QG ILE 52 10.723 -24.919 -6.171 474 H LEU 53 H LEU 53 6.583 -23.457 -8.109 475 HA LEU 53 HA LEU 53 5.841 -20.792 -7.636 476 1HB LEU 53 1HB LEU 53 5.115 -22.968 -9.504 477 2HB LEU 53 2HB LEU 53 3.907 -21.718 -9.279 478 HG LEU 53 HG LEU 53 6.764 -21.310 -10.203 479 1HD1 LEU 53 1HD1 LEU 53 4.124 -21.483 -11.602 480 2HD1 LEU 53 2HD1 LEU 53 5.371 -20.381 -12.236 481 3HD1 LEU 53 3HD1 LEU 53 5.718 -22.120 -12.074 482 1HD2 LEU 53 1HD2 LEU 53 4.665 -19.381 -9.313 483 2HD2 LEU 53 2HD2 LEU 53 6.434 -19.327 -9.121 484 3HD2 LEU 53 3HD2 LEU 53 5.697 -18.938 -10.694 485 MD1 LEU 53 MD1 LEU 53 5.071 -21.328 -11.970 486 MD2 LEU 53 MD2 LEU 53 5.599 -19.215 -9.709 487 QB LEU 53 QB LEU 53 4.511 -22.343 -9.391 488 QD LEU 53 QD LEU 53 5.335 -20.272 -10.840 489 H GLY 54 H GLY 54 4.102 -23.932 -7.103 490 1HA GLY 54 1HA GLY 54 1.713 -23.118 -6.173 491 2HA GLY 54 2HA GLY 54 2.599 -24.470 -5.497 492 QA GLY 54 QA GLY 54 2.156 -23.794 -5.835 493 H LYS 55 H LYS 55 4.840 -23.057 -4.354 494 HA LYS 55 HA LYS 55 3.718 -22.323 -1.900 495 1HB LYS 55 1HB LYS 55 6.491 -22.004 -3.070 496 2HB LYS 55 2HB LYS 55 6.093 -21.545 -1.426 497 1HG LYS 55 1HG LYS 55 5.013 -24.183 -1.893 498 2HG LYS 55 2HG LYS 55 6.673 -24.177 -2.454 499 1HD LYS 55 1HD LYS 55 6.030 -22.929 0.228 500 2HD LYS 55 2HD LYS 55 6.108 -24.676 0.103 501 1HE LYS 55 1HE LYS 55 8.406 -24.659 -0.532 502 2HE LYS 55 2HE LYS 55 8.358 -22.979 -1.026 503 QB LYS 55 QB LYS 55 6.292 -21.775 -2.248 504 QD LYS 55 QD LYS 55 6.069 -23.803 0.166 505 QG LYS 55 QG LYS 55 5.843 -24.180 -2.173 506 QE LYS 55 QE LYS 55 8.382 -23.819 -0.779 507 QZ LYS 55 QZ LYS 55 8.986 -23.269 1.298 508 H ILE 56 H ILE 56 4.955 -20.407 -4.695 509 HA ILE 56 HA ILE 56 4.777 -17.913 -3.504 510 HB ILE 56 HB ILE 56 4.665 -18.915 -6.327 511 1HG1 ILE 56 1HG1 ILE 56 6.673 -17.416 -4.637 512 2HG1 ILE 56 2HG1 ILE 56 6.829 -19.011 -5.345 513 1HG2 ILE 56 1HG2 ILE 56 3.184 -16.953 -6.242 514 2HG2 ILE 56 2HG2 ILE 56 4.497 -16.002 -5.507 515 3HG2 ILE 56 3HG2 ILE 56 4.674 -16.632 -7.162 516 1HD1 ILE 56 1HD1 ILE 56 6.449 -17.734 -7.640 517 2HD1 ILE 56 2HD1 ILE 56 6.960 -16.313 -6.698 518 3HD1 ILE 56 3HD1 ILE 56 8.050 -17.710 -6.864 519 MG ILE 56 MG ILE 56 4.118 -16.529 -6.303 520 MD ILE 56 MD ILE 56 7.153 -17.252 -7.067 521 QG ILE 56 QG ILE 56 6.751 -18.213 -4.991 522 H TRP 57 H TRP 57 2.341 -19.608 -5.606 523 HA TRP 57 HA TRP 57 0.352 -17.712 -5.353 524 1HB TRP 57 1HB TRP 57 0.469 -19.679 -6.924 525 2HB TRP 57 2HB TRP 57 -0.063 -20.693 -5.597 526 HD1 TRP 57 HD1 TRP 57 -2.651 -20.241 -4.699 527 HE1 TRP 57 HE1 TRP 57 -4.824 -19.300 -5.864 528 HE3 TRP 57 HE3 TRP 57 -0.243 -18.044 -8.602 529 HZ2 TRP 57 HZ2 TRP 57 -5.282 -17.778 -8.234 530 HZ3 TRP 57 HZ3 TRP 57 -1.627 -16.850 -10.297 531 HH2 TRP 57 HH2 TRP 57 -4.063 -16.697 -10.159 532 QB TRP 57 QB TRP 57 0.203 -20.186 -6.260 533 H ASP 58 H ASP 58 1.034 -20.685 -3.378 534 HA ASP 58 HA ASP 58 -1.006 -20.654 -1.685 535 1HB ASP 58 1HB ASP 58 1.204 -22.076 -1.740 536 2HB ASP 58 2HB ASP 58 1.832 -20.885 -0.619 537 HD2 ASP 58 HD2 ASP 58 0.071 -23.650 -0.891 538 QB ASP 58 QB ASP 58 1.518 -21.481 -1.180 539 H LEU 59 H LEU 59 1.993 -18.617 -1.521 540 HA LEU 59 HA LEU 59 1.074 -17.252 0.834 541 1HB LEU 59 1HB LEU 59 3.380 -17.600 0.723 542 2HB LEU 59 2HB LEU 59 3.483 -17.081 -0.948 543 HG LEU 59 HG LEU 59 4.434 -15.516 0.810 544 1HD1 LEU 59 1HD1 LEU 59 2.796 -14.918 -1.526 545 2HD1 LEU 59 2HD1 LEU 59 2.855 -13.566 -0.370 546 3HD1 LEU 59 3HD1 LEU 59 4.365 -14.249 -1.020 547 1HD2 LEU 59 1HD2 LEU 59 1.558 -15.472 1.581 548 2HD2 LEU 59 2HD2 LEU 59 3.024 -15.325 2.581 549 3HD2 LEU 59 3HD2 LEU 59 2.452 -13.933 1.630 550 MD1 LEU 59 MD1 LEU 59 3.339 -14.244 -0.972 551 MD2 LEU 59 MD2 LEU 59 2.345 -14.910 1.931 552 QB LEU 59 QB LEU 59 3.431 -17.341 -0.113 553 QD LEU 59 QD LEU 59 2.842 -14.577 0.479 554 H ALA 60 H ALA 60 0.878 -16.904 -2.672 555 HA ALA 60 HA ALA 60 0.405 -14.145 -2.765 556 1HB ALA 60 2HB ALA 60 -0.784 -16.203 -4.646 557 2HB ALA 60 3HB ALA 60 -0.225 -14.552 -5.010 558 3HB ALA 60 1HB ALA 60 0.957 -15.832 -4.644 559 MB ALA 60 MB ALA 60 -0.018 -15.529 -4.767 560 H ASP 61 H ASP 61 -1.933 -16.934 -2.876 561 HA ASP 61 HA ASP 61 -4.236 -15.703 -2.930 562 1HB ASP 61 1HB ASP 61 -4.253 -18.068 -2.664 563 2HB ASP 61 2HB ASP 61 -3.306 -18.004 -1.190 564 HD2 ASP 61 HD2 ASP 61 -7.045 -18.493 -0.748 565 QB ASP 61 QB ASP 61 -3.780 -18.036 -1.927 566 H THR 62 H THR 62 -5.619 -14.490 -1.503 567 HA THR 62 HA THR 62 -5.326 -14.248 1.232 568 HB THR 62 HB THR 62 -3.480 -12.533 -0.407 569 HG1 THR 62 HG1 THR 62 -2.363 -13.716 1.102 570 1HG2 THR 62 1HG2 THR 62 -5.130 -11.555 1.964 571 2HG2 THR 62 2HG2 THR 62 -3.491 -10.933 1.659 572 3HG2 THR 62 3HG2 THR 62 -4.773 -10.696 0.447 573 MG THR 62 MG THR 62 -4.465 -11.061 1.357 574 H ASP 63 H ASP 63 -6.102 -12.631 -1.870 575 HA ASP 63 HA ASP 63 -8.254 -11.249 -0.540 576 1HB ASP 63 1HB ASP 63 -6.591 -10.633 -2.699 577 2HB ASP 63 2HB ASP 63 -8.081 -11.094 -3.497 578 HD2 ASP 63 HD2 ASP 63 -6.997 -8.626 -1.068 579 QB ASP 63 QB ASP 63 -7.336 -10.863 -3.098 580 H GLY 64 H GLY 64 -8.430 -14.134 -0.584 581 1HA GLY 64 1HA GLY 64 -10.287 -15.486 -0.854 582 2HA GLY 64 2HA GLY 64 -10.873 -14.462 -2.149 583 QA GLY 64 QA GLY 64 -10.580 -14.974 -1.501 584 H LYS 65 H LYS 65 -11.054 -15.774 -3.932 585 HA LYS 65 HA LYS 65 -8.658 -16.750 -5.110 586 1HB LYS 65 1HB LYS 65 -9.602 -18.495 -3.274 587 2HB LYS 65 2HB LYS 65 -10.551 -18.998 -4.658 588 1HG LYS 65 1HG LYS 65 -8.650 -20.281 -5.026 589 2HG LYS 65 2HG LYS 65 -8.199 -18.848 -5.928 590 1HD LYS 65 1HD LYS 65 -6.321 -18.829 -4.634 591 2HD LYS 65 2HD LYS 65 -7.350 -18.172 -3.377 592 1HE LYS 65 1HE LYS 65 -7.457 -20.177 -2.210 593 2HE LYS 65 2HE LYS 65 -7.389 -21.156 -3.663 594 QB LYS 65 QB LYS 65 -10.077 -18.747 -3.966 595 QD LYS 65 QD LYS 65 -6.835 -18.501 -4.006 596 QG LYS 65 QG LYS 65 -8.424 -19.565 -5.477 597 QE LYS 65 QE LYS 65 -7.423 -20.667 -2.936 598 QZ LYS 65 QZ LYS 65 -5.061 -20.083 -2.952 599 H GLY 66 H GLY 66 -9.260 -17.950 -7.249 600 1HA GLY 66 1HA GLY 66 -10.655 -18.201 -9.060 601 2HA GLY 66 2HA GLY 66 -11.905 -17.274 -8.254 602 QA GLY 66 QA GLY 66 -11.280 -17.737 -8.657 603 H VAL 67 H VAL 67 -9.544 -15.255 -7.551 604 HA VAL 67 HA VAL 67 -8.965 -14.157 -10.144 605 HB VAL 67 HB VAL 67 -10.707 -12.610 -8.218 606 1HG1 VAL 67 1HG1 VAL 67 -8.978 -11.461 -9.818 607 2HG1 VAL 67 2HG1 VAL 67 -10.172 -11.852 -11.079 608 3HG1 VAL 67 3HG1 VAL 67 -10.638 -10.828 -9.699 609 1HG2 VAL 67 1HG2 VAL 67 -11.426 -13.986 -10.827 610 2HG2 VAL 67 2HG2 VAL 67 -12.044 -14.369 -9.203 611 3HG2 VAL 67 3HG2 VAL 67 -12.467 -12.821 -9.974 612 MG1 VAL 67 MG1 VAL 67 -9.929 -11.380 -10.199 613 MG2 VAL 67 MG2 VAL 67 -11.979 -13.725 -10.001 614 QG VAL 67 QG VAL 67 -10.954 -12.553 -10.100 615 H LEU 68 H LEU 68 -7.303 -12.530 -10.034 616 HA LEU 68 HA LEU 68 -5.891 -12.636 -7.477 617 1HB LEU 68 1HB LEU 68 -5.085 -12.352 -10.334 618 2HB LEU 68 2HB LEU 68 -4.077 -11.601 -9.112 619 HG LEU 68 HG LEU 68 -4.660 -14.519 -9.553 620 1HD1 LEU 68 1HD1 LEU 68 -2.680 -13.155 -10.552 621 2HD1 LEU 68 2HD1 LEU 68 -1.993 -13.293 -8.915 622 3HD1 LEU 68 3HD1 LEU 68 -2.380 -14.761 -9.845 623 1HD2 LEU 68 1HD2 LEU 68 -3.975 -13.183 -6.961 624 2HD2 LEU 68 2HD2 LEU 68 -5.036 -14.574 -7.288 625 3HD2 LEU 68 3HD2 LEU 68 -3.268 -14.772 -7.339 626 MD1 LEU 68 MD1 LEU 68 -2.351 -13.737 -9.771 627 MD2 LEU 68 MD2 LEU 68 -4.093 -14.176 -7.196 628 QB LEU 68 QB LEU 68 -4.581 -11.976 -9.723 629 QD LEU 68 QD LEU 68 -3.222 -13.957 -8.483 630 H SER 69 H SER 69 -4.397 -10.442 -7.341 631 HA SER 69 HA SER 69 -6.264 -8.243 -7.748 632 1HB SER 69 1HB SER 69 -4.462 -8.240 -5.335 633 2HB SER 69 2HB SER 69 -6.013 -7.455 -5.559 634 HG SER 69 HG SER 69 -5.840 -9.491 -4.138 635 QB SER 69 QB SER 69 -5.237 -7.847 -5.447 636 H LYS 70 H LYS 70 -5.179 -6.082 -7.887 637 HA LYS 70 HA LYS 70 -3.081 -6.038 -9.618 638 1HB LYS 70 1HB LYS 70 -2.790 -3.634 -8.758 639 2HB LYS 70 2HB LYS 70 -4.337 -4.086 -9.447 640 1HG LYS 70 1HG LYS 70 -4.537 -4.763 -6.696 641 2HG LYS 70 2HG LYS 70 -3.713 -3.217 -6.721 642 1HD LYS 70 1HD LYS 70 -5.593 -2.103 -7.372 643 2HD LYS 70 2HD LYS 70 -5.947 -3.268 -8.632 644 1HE LYS 70 1HE LYS 70 -7.282 -4.590 -7.242 645 2HE LYS 70 2HE LYS 70 -6.399 -4.155 -5.792 646 QB LYS 70 QB LYS 70 -3.563 -3.860 -9.102 647 QD LYS 70 QD LYS 70 -5.770 -2.685 -8.002 648 QG LYS 70 QG LYS 70 -4.125 -3.990 -6.708 649 QE LYS 70 QE LYS 70 -6.840 -4.373 -6.517 650 QZ LYS 70 QZ LYS 70 -8.085 -2.323 -6.781 651 H GLN 71 H GLN 71 -2.712 -4.980 -6.163 652 HA GLN 71 HA GLN 71 -0.009 -5.068 -6.144 653 1HB GLN 71 1HB GLN 71 -2.109 -4.754 -4.244 654 2HB GLN 71 2HB GLN 71 -1.034 -5.963 -3.571 655 1HG GLN 71 1HG GLN 71 0.613 -3.890 -4.705 656 2HG GLN 71 2HG GLN 71 -0.634 -3.103 -3.758 657 2HE2 GLN 71 1HE2 GLN 71 0.676 -2.444 -2.128 658 1HE2 GLN 71 2HE2 GLN 71 1.427 -3.503 -0.981 659 QB GLN 71 QB GLN 71 -1.572 -5.358 -3.908 660 QG GLN 71 QG GLN 71 -0.011 -3.497 -4.232 661 QE GLN 71 QE GLN 71 1.052 -2.973 -1.554 662 H GLU 72 H GLU 72 -2.216 -7.690 -4.903 663 HA GLU 72 HA GLU 72 -0.451 -9.528 -4.206 664 1HB GLU 72 1HB GLU 72 -3.084 -9.809 -5.682 665 2HB GLU 72 2HB GLU 72 -2.174 -11.234 -5.222 666 1HG GLU 72 1HG GLU 72 -2.360 -9.314 -3.000 667 2HG GLU 72 2HG GLU 72 -3.947 -9.772 -3.585 668 HE2 GLU 72 HE2 GLU 72 -3.618 -13.104 -2.672 669 QB GLU 72 QB GLU 72 -2.629 -10.521 -5.452 670 QG GLU 72 QG GLU 72 -3.154 -9.543 -3.292 671 H PHE 73 H PHE 73 -1.876 -9.615 -7.556 672 HA PHE 73 HA PHE 73 -0.155 -11.395 -8.645 673 1HB PHE 73 1HB PHE 73 -2.097 -10.503 -9.841 674 2HB PHE 73 2HB PHE 73 -1.527 -8.855 -9.673 675 HD1 PHE 73 HD1 PHE 73 0.384 -8.065 -11.057 676 HD2 PHE 73 HD2 PHE 73 -1.378 -11.879 -11.652 677 HE1 PHE 73 HE1 PHE 73 1.448 -8.202 -13.326 678 HE2 PHE 73 HE2 PHE 73 -0.314 -12.017 -13.921 679 HZ PHE 73 HZ PHE 73 1.086 -10.176 -14.731 680 QB PHE 73 QB PHE 73 -1.812 -9.679 -9.757 681 QD PHE 73 QD PHE 73 -0.497 -9.972 -11.355 682 QE PHE 73 QE PHE 73 0.567 -10.110 -13.624 683 QR PHE 73 QR PHE 73 0.035 -10.041 -12.489 684 H PHE 74 H PHE 74 0.328 -7.838 -8.249 685 HA PHE 74 HA PHE 74 2.721 -7.739 -9.707 686 1HB PHE 74 1HB PHE 74 1.038 -6.106 -7.874 687 2HB PHE 74 2HB PHE 74 2.742 -5.749 -7.673 688 HD1 PHE 74 HD1 PHE 74 0.090 -5.993 -10.268 689 HD2 PHE 74 HD2 PHE 74 3.822 -4.306 -9.158 690 HE1 PHE 74 HE1 PHE 74 0.014 -4.500 -12.284 691 HE2 PHE 74 HE2 PHE 74 3.746 -2.812 -11.174 692 HZ PHE 74 HZ PHE 74 1.843 -2.927 -12.712 693 QB PHE 74 QB PHE 74 1.890 -5.927 -7.774 694 QD PHE 74 QD PHE 74 1.955 -5.149 -9.713 695 QE PHE 74 QE PHE 74 1.880 -3.656 -11.729 696 QR PHE 74 QR PHE 74 1.917 -4.403 -10.721 697 H VAL 75 H VAL 75 1.934 -8.852 -6.463 698 HA VAL 75 HA VAL 75 4.603 -8.514 -5.466 699 HB VAL 75 HB VAL 75 1.968 -9.326 -4.489 700 1HG1 VAL 75 1HG1 VAL 75 4.435 -10.825 -3.590 701 2HG1 VAL 75 2HG1 VAL 75 3.031 -10.592 -2.520 702 3HG1 VAL 75 3HG1 VAL 75 2.843 -11.469 -4.058 703 1HG2 VAL 75 1HG2 VAL 75 3.471 -7.244 -3.982 704 2HG2 VAL 75 2HG2 VAL 75 2.511 -7.981 -2.677 705 3HG2 VAL 75 3HG2 VAL 75 4.252 -8.326 -2.804 706 MG1 VAL 75 MG1 VAL 75 3.436 -10.962 -3.389 707 MG2 VAL 75 MG2 VAL 75 3.411 -7.851 -3.154 708 QG VAL 75 QG VAL 75 3.424 -9.406 -3.272 709 H ALA 76 H ALA 76 2.493 -11.341 -6.350 710 HA ALA 76 HA ALA 76 4.391 -13.299 -6.015 711 1HB ALA 76 1HB ALA 76 2.100 -13.066 -8.006 712 2HB ALA 76 2HB ALA 76 2.977 -14.573 -7.652 713 3HB ALA 76 3HB ALA 76 2.033 -13.771 -6.374 714 MB ALA 76 MB ALA 76 2.370 -13.804 -7.344 715 H LEU 77 H LEU 77 3.681 -11.256 -8.919 716 HA LEU 77 HA LEU 77 5.302 -12.398 -10.747 717 1HB LEU 77 1HB LEU 77 3.982 -9.940 -10.384 718 2HB LEU 77 2HB LEU 77 5.630 -9.534 -10.818 719 HG LEU 77 HG LEU 77 3.701 -11.247 -12.403 720 1HD1 LEU 77 1HD1 LEU 77 3.489 -8.691 -12.376 721 2HD1 LEU 77 2HD1 LEU 77 5.018 -8.683 -13.288 722 3HD1 LEU 77 3HD1 LEU 77 3.587 -9.503 -13.958 723 1HD2 LEU 77 1HD2 LEU 77 6.607 -11.200 -12.435 724 2HD2 LEU 77 2HD2 LEU 77 5.467 -12.287 -13.265 725 3HD2 LEU 77 3HD2 LEU 77 5.916 -10.732 -14.007 726 MD1 LEU 77 MD1 LEU 77 4.031 -8.959 -13.207 727 MD2 LEU 77 MD2 LEU 77 5.997 -11.406 -13.236 728 QB LEU 77 QB LEU 77 4.806 -9.737 -10.601 729 QD LEU 77 QD LEU 77 5.014 -10.182 -13.221 730 H ARG 78 H ARG 78 6.385 -9.724 -8.527 731 HA ARG 78 HA ARG 78 9.049 -10.073 -9.195 732 1HB ARG 78 1HB ARG 78 7.639 -8.780 -6.822 733 2HB ARG 78 2HB ARG 78 9.388 -8.787 -6.935 734 1HG ARG 78 1HG ARG 78 7.444 -7.578 -8.954 735 2HG ARG 78 2HG ARG 78 8.523 -6.698 -7.890 736 1HD ARG 78 1HD ARG 78 9.879 -6.694 -9.759 737 2HD ARG 78 2HD ARG 78 10.372 -8.253 -9.129 738 HE ARG 78 HE ARG 78 8.190 -8.921 -10.662 739 1HH1 ARG 78 1HH1 ARG 78 11.084 -6.998 -11.352 740 2HH1 ARG 78 2HH1 ARG 78 11.092 -7.387 -13.039 741 2HH2 ARG 78 HH2 ARG 78 9.386 -8.822 -13.921 742 QB ARG 78 QB ARG 78 8.514 -8.784 -6.879 743 QG ARG 78 QG ARG 78 7.983 -7.138 -8.422 744 QD ARG 78 QD ARG 78 10.126 -7.473 -9.444 745 QH1 ARG 78 QH1 ARG 78 11.088 -7.193 -12.196 746 H LEU 79 H LEU 79 6.919 -11.569 -6.755 747 HA LEU 79 HA LEU 79 8.827 -12.592 -5.034 748 1HB LEU 79 1HB LEU 79 6.197 -12.535 -5.024 749 2HB LEU 79 2HB LEU 79 6.360 -14.133 -5.723 750 HG LEU 79 HG LEU 79 7.581 -13.273 -3.086 751 1HD1 LEU 79 1HD1 LEU 79 4.957 -14.555 -3.770 752 2HD1 LEU 79 2HD1 LEU 79 5.780 -14.975 -2.249 753 3HD1 LEU 79 3HD1 LEU 79 5.333 -13.284 -2.581 754 1HD2 LEU 79 1HD2 LEU 79 7.979 -15.596 -4.781 755 2HD2 LEU 79 2HD2 LEU 79 8.857 -15.077 -3.322 756 3HD2 LEU 79 3HD2 LEU 79 7.375 -16.052 -3.169 757 MD1 LEU 79 MD1 LEU 79 5.357 -14.271 -2.867 758 MD2 LEU 79 MD2 LEU 79 8.070 -15.575 -3.757 759 QB LEU 79 QB LEU 79 6.279 -13.334 -5.374 760 QD LEU 79 QD LEU 79 6.713 -14.923 -3.312 761 H VAL 80 H VAL 80 7.678 -13.726 -8.232 762 HA VAL 80 HA VAL 80 8.853 -16.253 -8.139 763 HB VAL 80 HB VAL 80 8.247 -14.395 -10.446 764 1HG1 VAL 80 1HG1 VAL 80 9.928 -16.209 -10.967 765 2HG1 VAL 80 2HG1 VAL 80 8.660 -17.396 -10.576 766 3HG1 VAL 80 3HG1 VAL 80 8.431 -16.261 -11.928 767 1HG2 VAL 80 1HG2 VAL 80 6.602 -16.051 -8.704 768 2HG2 VAL 80 2HG2 VAL 80 6.120 -14.838 -9.915 769 3HG2 VAL 80 3HG2 VAL 80 6.430 -16.519 -10.413 770 MG1 VAL 80 MG1 VAL 80 9.006 -16.622 -11.157 771 MG2 VAL 80 MG2 VAL 80 6.384 -15.803 -9.677 772 QG VAL 80 QG VAL 80 7.695 -16.212 -10.417 773 H ALA 81 H ALA 81 10.137 -13.002 -8.930 774 HA ALA 81 HA ALA 81 12.565 -13.882 -10.021 775 1HB ALA 81 2HB ALA 81 12.491 -11.317 -8.508 776 2HB ALA 81 3HB ALA 81 12.999 -11.645 -10.182 777 3HB ALA 81 1HB ALA 81 11.269 -11.504 -9.789 778 MB ALA 81 MB ALA 81 12.253 -11.489 -9.493 779 H CYS 82 H CYS 82 11.283 -13.930 -6.790 780 HA CYS 82 HA CYS 82 13.753 -13.696 -5.435 781 1HB CYS 82 1HB CYS 82 11.203 -13.500 -4.621 782 2HB CYS 82 2HB CYS 82 11.476 -15.177 -4.191 783 HG CYS 82 HG CYS 82 12.131 -13.098 -2.488 784 QB CYS 82 QB CYS 82 11.340 -14.339 -4.406 785 H ALA 83 H ALA 83 11.500 -16.547 -5.702 786 HA ALA 83 HA ALA 83 13.313 -18.467 -4.991 787 1HB ALA 83 1HB ALA 83 10.906 -18.523 -6.844 788 2HB ALA 83 3HB ALA 83 10.977 -18.971 -5.123 789 3HB ALA 83 2HB ALA 83 11.776 -19.993 -6.343 790 MB ALA 83 MB ALA 83 11.220 -19.162 -6.103 791 H GLN 84 H GLN 84 13.130 -16.567 -7.930 792 HA GLN 84 HA GLN 84 14.356 -18.353 -9.656 793 1HB GLN 84 1HB GLN 84 14.133 -15.332 -9.558 794 2HB GLN 84 2HB GLN 84 15.080 -16.105 -10.813 795 1HG GLN 84 1HG GLN 84 12.437 -17.379 -10.447 796 2HG GLN 84 2HG GLN 84 12.311 -15.683 -10.869 797 2HE2 GLN 84 1HE2 GLN 84 14.094 -15.042 -12.572 798 1HE2 GLN 84 2HE2 GLN 84 14.139 -16.032 -13.993 799 QB GLN 84 QB GLN 84 14.606 -15.719 -10.186 800 QG GLN 84 QG GLN 84 12.374 -16.531 -10.658 801 QE GLN 84 QE GLN 84 14.117 -15.537 -13.282 802 H ASN 85 H ASN 85 15.551 -16.811 -6.838 803 HA ASN 85 HA ASN 85 18.278 -17.021 -7.834 804 1HB ASN 85 1HB ASN 85 17.125 -14.902 -6.544 805 2HB ASN 85 2HB ASN 85 17.685 -15.797 -5.146 806 2HD2 ASN 85 1HD2 ASN 85 19.632 -15.364 -4.466 807 1HD2 ASN 85 2HD2 ASN 85 20.957 -14.739 -5.390 808 QB ASN 85 QB ASN 85 17.405 -15.350 -5.845 809 QD ASN 85 QD ASN 85 20.294 -15.052 -4.928 810 H GLY 86 H GLY 86 15.826 -18.489 -5.899 811 1HA GLY 86 1HA GLY 86 16.133 -20.637 -4.987 812 2HA GLY 86 2HA GLY 86 17.812 -20.263 -4.649 813 QA GLY 86 QA GLY 86 16.973 -20.450 -4.818 814 H LEU 87 H LEU 87 15.884 -17.533 -3.933 815 HA LEU 87 HA LEU 87 16.284 -17.944 -1.127 816 1HB LEU 87 2HB LEU 87 15.409 -15.690 -0.914 817 2HB LEU 87 1HB LEU 87 14.899 -15.694 -2.591 818 HG LEU 87 HG LEU 87 17.413 -16.088 -3.129 819 1HD1 LEU 87 1HD1 LEU 87 16.039 -14.031 -3.577 820 2HD1 LEU 87 2HD1 LEU 87 16.625 -13.383 -2.026 821 3HD1 LEU 87 3HD1 LEU 87 17.779 -13.745 -3.333 822 1HD2 LEU 87 1HD2 LEU 87 17.902 -16.504 -0.642 823 2HD2 LEU 87 2HD2 LEU 87 19.027 -15.471 -1.557 824 3HD2 LEU 87 3HD2 LEU 87 17.827 -14.734 -0.469 825 MD1 LEU 87 MD1 LEU 87 16.814 -13.720 -2.979 826 MD2 LEU 87 MD2 LEU 87 18.252 -15.570 -0.889 827 QB LEU 87 QB LEU 87 15.154 -15.692 -1.752 828 QD LEU 87 QD LEU 87 17.533 -14.645 -1.934 829 H GLU 88 H GLU 88 14.349 -17.359 0.399 830 HA GLU 88 HA GLU 88 12.597 -19.380 0.366 831 1HB GLU 88 1HB GLU 88 13.087 -17.336 2.059 832 2HB GLU 88 2HB GLU 88 11.576 -16.747 1.395 833 1HG GLU 88 1HG GLU 88 10.334 -18.359 2.450 834 2HG GLU 88 2HG GLU 88 11.488 -19.627 2.087 835 HE2 GLU 88 HE2 GLU 88 10.489 -17.843 4.914 836 QB GLU 88 QB GLU 88 12.332 -17.042 1.727 837 QG GLU 88 QG GLU 88 10.911 -18.993 2.268 838 H VAL 89 H VAL 89 10.131 -19.344 0.088 839 HA VAL 89 HA VAL 89 9.537 -17.968 -2.432 840 HB VAL 89 HB VAL 89 8.121 -20.337 -1.209 841 1HG1 VAL 89 1HG1 VAL 89 7.777 -18.718 -3.624 842 2HG1 VAL 89 2HG1 VAL 89 7.920 -20.458 -3.973 843 3HG1 VAL 89 3HG1 VAL 89 6.666 -19.875 -2.851 844 1HG2 VAL 89 1HG2 VAL 89 10.762 -20.243 -2.335 845 2HG2 VAL 89 2HG2 VAL 89 9.848 -21.646 -1.729 846 3HG2 VAL 89 3HG2 VAL 89 9.692 -21.150 -3.432 847 MG1 VAL 89 MG1 VAL 89 7.454 -19.684 -3.482 848 MG2 VAL 89 MG2 VAL 89 10.101 -21.013 -2.499 849 QG VAL 89 QG VAL 89 8.777 -20.349 -2.990 850 H SER 90 H SER 90 9.223 -17.518 0.830 851 HA SER 90 HA SER 90 6.455 -16.703 0.702 852 1HB SER 90 2HB SER 90 6.678 -16.340 3.137 853 2HB SER 90 1HB SER 90 8.406 -16.615 3.046 854 HG SER 90 HG SER 90 7.729 -18.803 2.072 855 QB SER 90 QB SER 90 7.542 -16.477 3.092 856 H LEU 91 H LEU 91 5.930 -14.466 1.720 857 HA LEU 91 HA LEU 91 7.235 -12.494 0.240 858 1HB LEU 91 1HB LEU 91 5.101 -12.655 2.265 859 2HB LEU 91 2HB LEU 91 5.940 -11.118 2.202 860 HG LEU 91 HG LEU 91 4.681 -12.452 -0.209 861 1HD1 LEU 91 1HD1 LEU 91 3.342 -11.310 1.968 862 2HD1 LEU 91 2HD1 LEU 91 3.330 -10.060 0.701 863 3HD1 LEU 91 3HD1 LEU 91 2.678 -11.680 0.358 864 1HD2 LEU 91 1HD2 LEU 91 6.600 -10.738 -0.456 865 2HD2 LEU 91 2HD2 LEU 91 5.117 -10.512 -1.414 866 3HD2 LEU 91 3HD2 LEU 91 5.387 -9.538 0.052 867 MD1 LEU 91 MD1 LEU 91 3.117 -11.017 1.009 868 MD2 LEU 91 MD2 LEU 91 5.701 -10.263 -0.606 869 QB LEU 91 QB LEU 91 5.520 -11.887 2.234 870 QD LEU 91 QD LEU 91 4.409 -10.640 0.202 871 H SER 92 H SER 92 7.985 -14.022 3.296 872 HA SER 92 HA SER 92 9.264 -12.052 4.634 873 1HB SER 92 1HB SER 92 9.504 -15.017 4.460 874 2HB SER 92 2HB SER 92 10.904 -14.205 5.134 875 HG SER 92 HG SER 92 8.730 -14.840 6.455 876 QB SER 92 QB SER 92 10.204 -14.611 4.797 877 H SER 93 H SER 93 10.564 -14.196 2.015 878 HA SER 93 HA SER 93 13.113 -13.007 2.106 879 1HB SER 93 1HB SER 93 11.682 -15.004 0.402 880 2HB SER 93 2HB SER 93 13.019 -14.172 -0.367 881 HG SER 93 HG SER 93 14.103 -14.783 1.888 882 QB SER 93 QB SER 93 12.351 -14.588 0.017 883 H LEU 94 H LEU 94 10.034 -12.218 0.618 884 HA LEU 94 HA LEU 94 10.960 -10.757 -1.582 885 1HB LEU 94 1HB LEU 94 8.601 -11.635 -0.918 886 2HB LEU 94 2HB LEU 94 8.446 -10.102 -0.083 887 HG LEU 94 HG LEU 94 7.759 -10.567 -2.686 888 1HD1 LEU 94 1HD1 LEU 94 7.996 -8.310 -0.898 889 2HD1 LEU 94 2HD1 LEU 94 8.320 -7.820 -2.578 890 3HD1 LEU 94 3HD1 LEU 94 6.793 -8.637 -2.168 891 1HD2 LEU 94 1HD2 LEU 94 10.074 -10.817 -3.408 892 2HD2 LEU 94 2HD2 LEU 94 9.341 -9.359 -4.118 893 3HD2 LEU 94 3HD2 LEU 94 10.469 -9.211 -2.750 894 MD1 LEU 94 MD1 LEU 94 7.703 -8.256 -1.881 895 MD2 LEU 94 MD2 LEU 94 9.961 -9.796 -3.426 896 QB LEU 94 QB LEU 94 8.524 -10.868 -0.500 897 QD LEU 94 QD LEU 94 8.832 -9.026 -2.653 898 H SER 95 H SER 95 10.544 -9.975 1.884 899 HA SER 95 HA SER 95 10.658 -7.266 1.743 900 1HB SER 95 2HB SER 95 10.282 -8.631 3.810 901 2HB SER 95 1HB SER 95 11.425 -7.325 4.051 902 HG SER 95 HG SER 95 11.818 -9.909 4.564 903 QB SER 95 QB SER 95 10.854 -7.978 3.930 904 H LEU 96 H LEU 96 13.121 -9.636 0.984 905 HA LEU 96 HA LEU 96 15.319 -7.820 1.352 906 1HB LEU 96 2HB LEU 96 16.675 -9.623 0.539 907 2HB LEU 96 1HB LEU 96 15.273 -10.489 -0.056 908 HG LEU 96 HG LEU 96 14.594 -10.306 2.553 909 1HD1 LEU 96 1HD1 LEU 96 14.706 -12.330 1.103 910 2HD1 LEU 96 2HD1 LEU 96 16.446 -12.440 1.462 911 3HD1 LEU 96 3HD1 LEU 96 15.255 -12.603 2.774 912 1HD2 LEU 96 1HD2 LEU 96 17.580 -10.043 2.434 913 2HD2 LEU 96 2HD2 LEU 96 16.406 -9.260 3.518 914 3HD2 LEU 96 3HD2 LEU 96 16.821 -10.976 3.746 915 MD1 LEU 96 MD1 LEU 96 15.469 -12.458 1.780 916 MD2 LEU 96 MD2 LEU 96 16.935 -10.093 3.233 917 QB LEU 96 QB LEU 96 15.974 -10.056 0.241 918 QD LEU 96 QD LEU 96 16.202 -11.275 2.506 919 H ALA 97 H ALA 97 16.855 -8.280 -0.962 920 HA ALA 97 HA ALA 97 15.305 -6.692 -2.873 921 1HB ALA 97 1HB ALA 97 17.934 -6.506 -1.771 922 2HB ALA 97 3HB ALA 97 17.172 -5.451 -2.985 923 3HB ALA 97 2HB ALA 97 18.107 -6.874 -3.504 924 MB ALA 97 MB ALA 97 17.738 -6.277 -2.753 925 H VAL 98 H VAL 98 14.152 -8.742 -3.503 926 HA VAL 98 HA VAL 98 15.424 -10.958 -4.518 927 HB VAL 98 HB VAL 98 13.354 -11.462 -5.567 928 1HG1 VAL 98 1HG1 VAL 98 13.530 -11.170 -2.973 929 2HG1 VAL 98 2HG1 VAL 98 12.428 -9.798 -3.237 930 3HG1 VAL 98 3HG1 VAL 98 11.940 -11.439 -3.726 931 1HG2 VAL 98 1HG2 VAL 98 13.115 -8.525 -5.785 932 2HG2 VAL 98 2HG2 VAL 98 12.498 -9.812 -6.848 933 3HG2 VAL 98 3HG2 VAL 98 11.605 -9.373 -5.372 934 MG1 VAL 98 MG1 VAL 98 12.633 -10.802 -3.312 935 MG2 VAL 98 MG2 VAL 98 12.406 -9.237 -6.002 936 QG VAL 98 QG VAL 98 12.519 -10.019 -4.657 937 HA PRO 99 HA PRO 99 17.217 -9.556 -8.196 938 1HB PRO 99 1HB PRO 99 17.615 -11.933 -9.485 939 2HB PRO 99 2HB PRO 99 18.684 -11.330 -8.234 940 1HG PRO 99 1HG PRO 99 16.670 -13.488 -8.070 941 2HG PRO 99 2HG PRO 99 18.016 -13.159 -6.997 942 1HD PRO 99 1HD PRO 99 15.251 -12.573 -6.510 943 2HD PRO 99 2HD PRO 99 16.609 -12.140 -5.491 944 QB PRO 99 QB PRO 99 18.149 -11.631 -8.860 945 QG PRO 99 QG PRO 99 17.343 -13.323 -7.533 946 QD PRO 99 QD PRO 99 15.930 -12.357 -6.001 947 HA PRO 100 HA PRO 100 14.443 -9.250 -11.400 948 1HB PRO 100 1HB PRO 100 15.919 -9.322 -13.698 949 2HB PRO 100 2HB PRO 100 15.794 -7.898 -12.684 950 1HG PRO 100 1HG PRO 100 18.056 -9.781 -12.963 951 2HG PRO 100 2HG PRO 100 18.054 -8.156 -12.306 952 1HD PRO 100 1HD PRO 100 18.135 -10.609 -10.820 953 2HD PRO 100 2HD PRO 100 18.017 -8.988 -10.163 954 QB PRO 100 QB PRO 100 15.857 -8.610 -13.191 955 QG PRO 100 QG PRO 100 18.055 -8.969 -12.634 956 QD PRO 100 QD PRO 100 18.076 -9.799 -10.492 957 HA PRO 101 HA PRO 101 13.205 -13.140 -12.601 958 1HB PRO 101 1HB PRO 101 10.877 -12.513 -13.888 959 2HB PRO 101 2HB PRO 101 10.994 -12.685 -12.148 960 1HG PRO 101 2HG PRO 101 10.474 -10.440 -12.046 961 2HG PRO 101 1HG PRO 101 10.780 -10.214 -13.757 962 1HD PRO 101 1HD PRO 101 12.792 -9.235 -13.230 963 2HD PRO 101 2HD PRO 101 12.536 -9.566 -11.528 964 QB PRO 101 QB PRO 101 10.936 -12.599 -13.018 965 QG PRO 101 QG PRO 101 10.627 -10.327 -12.901 966 QD PRO 101 QD PRO 101 12.664 -9.401 -12.379 967 H ARG 102 H ARG 102 11.814 -13.925 -14.872 968 HA ARG 102 HA ARG 102 13.962 -13.462 -16.760 969 1HB ARG 102 1HB ARG 102 12.843 -15.823 -15.924 970 2HB ARG 102 2HB ARG 102 11.840 -15.509 -17.327 971 1HG ARG 102 2HG ARG 102 14.311 -14.960 -18.385 972 2HG ARG 102 1HG ARG 102 13.536 -16.528 -18.483 973 1HD ARG 102 1HD ARG 102 14.741 -16.572 -15.945 974 2HD ARG 102 2HD ARG 102 15.341 -17.373 -17.384 975 HE ARG 102 HE ARG 102 16.120 -14.575 -17.341 976 1HH1 ARG 102 1HH1 ARG 102 16.947 -17.751 -16.005 977 2HH1 ARG 102 2HH1 ARG 102 18.604 -17.337 -15.720 978 2HH2 ARG 102 HH2 ARG 102 19.382 -15.144 -16.291 979 QB ARG 102 QB ARG 102 12.342 -15.666 -16.626 980 QG ARG 102 QG ARG 102 13.923 -15.744 -18.434 981 QD ARG 102 QD ARG 102 15.041 -16.972 -16.664 982 QH1 ARG 102 QH1 ARG 102 17.776 -17.544 -15.862 983 H PHE 103 H PHE 103 10.480 -13.065 -16.180 984 HA PHE 103 HA PHE 103 9.340 -12.824 -18.564 985 1HB PHE 103 1HB PHE 103 9.236 -10.617 -16.431 986 2HB PHE 103 2HB PHE 103 7.918 -11.124 -17.468 987 HD1 PHE 103 HD1 PHE 103 7.286 -13.709 -17.208 988 HD2 PHE 103 HD2 PHE 103 9.235 -11.368 -14.253 989 HE1 PHE 103 HE1 PHE 103 6.500 -15.297 -15.430 990 HE2 PHE 103 HE2 PHE 103 8.448 -12.956 -12.476 991 HZ PHE 103 HZ PHE 103 7.090 -14.902 -13.086 992 QB PHE 103 QB PHE 103 8.577 -10.871 -16.950 993 QD PHE 103 QD PHE 103 8.260 -12.538 -15.730 994 QE PHE 103 QE PHE 103 7.474 -14.127 -13.953 995 QR PHE 103 QR PHE 103 7.867 -13.332 -14.842 996 H HIS 104 H HIS 104 8.808 -10.908 -19.974 997 HA HIS 104 HA HIS 104 11.191 -9.774 -20.921 998 1HB HIS 104 1HB HIS 104 8.526 -8.627 -21.647 999 2HB HIS 104 2HB HIS 104 9.918 -8.954 -22.659 1000 HD1 HIS 104 HD1 HIS 104 10.416 -11.884 -22.440 1001 HD2 HIS 104 HD2 HIS 104 6.532 -10.300 -22.436 1002 HE1 HIS 104 HE1 HIS 104 8.870 -13.781 -23.163 1003 QB HIS 104 QB HIS 104 9.222 -8.791 -22.153 1004 H ASP 105 H ASP 105 12.111 -7.741 -20.654 1005 HA ASP 105 HA ASP 105 11.756 -6.471 -18.290 1006 1HB ASP 105 1HB ASP 105 13.280 -6.107 -20.679 1007 2HB ASP 105 2HB ASP 105 12.529 -4.557 -20.355 1008 HD2 ASP 105 HD2 ASP 105 15.703 -4.545 -18.810 1009 QB ASP 105 QB ASP 105 12.905 -5.332 -20.517 No H/Q in entry = 1009 Start of MODEL 28 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.677 0.907 -1.264 3 1HB LEU 7 1HB LEU 7 2.566 -2.033 -0.793 4 2HB LEU 7 2HB LEU 7 3.184 -1.471 -2.333 5 HG LEU 7 HG LEU 7 4.372 -0.036 -0.077 6 1HD1 LEU 7 1HD1 LEU 7 4.123 -2.949 0.117 7 2HD1 LEU 7 2HD1 LEU 7 5.805 -2.370 0.185 8 3HD1 LEU 7 3HD1 LEU 7 4.602 -1.747 1.340 9 1HD2 LEU 7 1HD2 LEU 7 5.012 -0.583 -2.691 10 2HD2 LEU 7 2HD2 LEU 7 6.122 0.072 -1.463 11 3HD2 LEU 7 3HD2 LEU 7 6.094 -1.676 -1.794 12 MD1 LEU 7 MD1 LEU 7 4.843 -2.355 0.547 13 MD2 LEU 7 MD2 LEU 7 5.743 -0.729 -1.983 14 QB LEU 7 QB LEU 7 2.875 -1.752 -1.563 15 QD LEU 7 QD LEU 7 5.293 -1.542 -0.718 16 H SER 8 H SER 8 2.633 -0.220 -3.766 17 HA SER 8 HA SER 8 0.630 0.979 -5.009 18 1HB SER 8 1HB SER 8 0.972 -1.331 -6.569 19 2HB SER 8 2HB SER 8 1.891 0.156 -6.694 20 HG SER 8 HG SER 8 2.596 -1.903 -4.797 21 QB SER 8 QB SER 8 1.432 -0.588 -6.631 22 H LEU 9 H LEU 9 -1.429 0.274 -6.018 23 HA LEU 9 HA LEU 9 -3.092 -1.040 -4.210 24 1HB LEU 9 2HB LEU 9 -4.788 -0.808 -5.873 25 2HB LEU 9 1HB LEU 9 -3.604 -0.636 -7.154 26 HG LEU 9 HG LEU 9 -3.103 1.556 -6.606 27 1HD1 LEU 9 1HD1 LEU 9 -5.379 1.411 -7.454 28 2HD1 LEU 9 2HD1 LEU 9 -6.006 1.225 -5.799 29 3HD1 LEU 9 3HD1 LEU 9 -5.228 2.749 -6.290 30 1HD2 LEU 9 1HD2 LEU 9 -3.852 0.766 -3.830 31 2HD2 LEU 9 2HD2 LEU 9 -2.444 1.674 -4.430 32 3HD2 LEU 9 3HD2 LEU 9 -4.026 2.476 -4.291 33 MD1 LEU 9 MD1 LEU 9 -5.538 1.795 -6.514 34 MD2 LEU 9 MD2 LEU 9 -3.441 1.639 -4.183 35 QB LEU 9 QB LEU 9 -4.196 -0.722 -6.513 36 QD LEU 9 QD LEU 9 -4.489 1.717 -5.349 37 H THR 10 H THR 10 -1.219 -2.177 -7.040 38 HA THR 10 HA THR 10 -2.431 -4.661 -7.349 39 HB THR 10 HB THR 10 -0.068 -5.196 -8.310 40 HG1 THR 10 HG1 THR 10 1.255 -3.736 -7.211 41 1HG2 THR 10 1HG2 THR 10 -1.892 -4.159 -9.732 42 2HG2 THR 10 2HG2 THR 10 -1.346 -2.554 -9.190 43 3HG2 THR 10 3HG2 THR 10 -0.266 -3.578 -10.166 44 MG THR 10 MG THR 10 -1.168 -3.430 -9.696 45 H GLN 11 H GLN 11 0.353 -3.700 -5.245 46 HA GLN 11 HA GLN 11 0.517 -6.330 -4.205 47 1HB GLN 11 1HB GLN 11 2.070 -3.894 -4.119 48 2HB GLN 11 2HB GLN 11 1.830 -4.454 -2.476 49 1HG GLN 11 1HG GLN 11 2.408 -6.806 -3.939 50 2HG GLN 11 2HG GLN 11 3.496 -5.604 -4.604 51 2HE2 GLN 11 1HE2 GLN 11 4.563 -7.673 -3.308 52 1HE2 GLN 11 2HE2 GLN 11 5.215 -7.222 -1.768 53 QB GLN 11 QB GLN 11 1.950 -4.174 -3.298 54 QG GLN 11 QG GLN 11 2.952 -6.205 -4.272 55 QE GLN 11 QE GLN 11 4.889 -7.447 -2.538 56 H LEU 12 H LEU 12 -1.113 -3.288 -3.344 57 HA LEU 12 HA LEU 12 -1.606 -3.649 -0.687 58 1HB LEU 12 1HB LEU 12 -2.315 -1.851 -2.551 59 2HB LEU 12 2HB LEU 12 -3.848 -2.681 -2.372 60 HG LEU 12 HG LEU 12 -3.594 -0.643 -0.958 61 1HD1 LEU 12 1HD1 LEU 12 -4.774 -3.079 -0.349 62 2HD1 LEU 12 2HD1 LEU 12 -3.902 -2.640 1.139 63 3HD1 LEU 12 3HD1 LEU 12 -5.091 -1.515 0.440 64 1HD2 LEU 12 1HD2 LEU 12 -1.134 -1.102 -0.476 65 2HD2 LEU 12 2HD2 LEU 12 -2.132 -0.526 0.881 66 3HD2 LEU 12 3HD2 LEU 12 -1.702 -2.250 0.760 67 MD1 LEU 12 MD1 LEU 12 -4.589 -2.411 0.410 68 MD2 LEU 12 MD2 LEU 12 -1.656 -1.293 0.388 69 QB LEU 12 QB LEU 12 -3.081 -2.266 -2.462 70 QD LEU 12 QD LEU 12 -3.123 -1.852 0.399 71 H SER 13 H SER 13 -3.291 -5.135 -3.508 72 HA SER 13 HA SER 13 -3.939 -7.382 -1.975 73 1HB SER 13 1HB SER 13 -5.950 -5.210 -2.125 74 2HB SER 13 2HB SER 13 -6.568 -6.767 -2.638 75 HG SER 13 HG SER 13 -6.186 -5.897 -0.121 76 QB SER 13 QB SER 13 -6.259 -5.989 -2.382 77 H SER 14 H SER 14 -2.522 -7.408 -4.208 78 HA SER 14 HA SER 14 -2.351 -8.160 -6.236 79 1HB SER 14 1HB SER 14 -4.462 -9.661 -5.075 80 2HB SER 14 2HB SER 14 -5.013 -9.272 -6.693 81 HG SER 14 HG SER 14 -2.346 -10.266 -6.283 82 QB SER 14 QB SER 14 -4.738 -9.466 -5.884 83 H GLY 15 H GLY 15 -3.930 -5.527 -5.535 84 1HA GLY 15 1HA GLY 15 -4.492 -3.771 -6.874 85 2HA GLY 15 2HA GLY 15 -4.454 -4.812 -8.282 86 QA GLY 15 QA GLY 15 -4.473 -4.291 -7.578 87 H ASN 16 H ASN 16 -6.318 -5.224 -5.204 88 HA ASN 16 HA ASN 16 -8.624 -5.902 -6.638 89 1HB ASN 16 1HB ASN 16 -7.947 -6.559 -4.212 90 2HB ASN 16 2HB ASN 16 -8.511 -4.971 -3.728 91 2HD2 ASN 16 1HD2 ASN 16 -9.503 -7.594 -2.999 92 1HD2 ASN 16 2HD2 ASN 16 -11.173 -7.673 -3.452 93 QB ASN 16 QB ASN 16 -8.229 -5.765 -3.970 94 QD ASN 16 QD ASN 16 -10.338 -7.634 -3.225 95 HA PRO 17 HA PRO 17 -9.867 -1.678 -7.169 96 1HB PRO 17 1HB PRO 17 -12.028 -2.141 -8.777 97 2HB PRO 17 2HB PRO 17 -10.392 -1.998 -9.388 98 1HG PRO 17 2HG PRO 17 -10.600 -4.206 -10.020 99 2HG PRO 17 1HG PRO 17 -12.035 -4.431 -9.040 100 1HD PRO 17 1HD PRO 17 -10.756 -5.541 -7.486 101 2HD PRO 17 2HD PRO 17 -9.304 -5.215 -8.411 102 QB PRO 17 QB PRO 17 -11.210 -2.069 -9.083 103 QG PRO 17 QG PRO 17 -11.317 -4.319 -9.530 104 QD PRO 17 QD PRO 17 -10.030 -5.378 -7.949 105 H VAL 18 H VAL 18 -11.426 -4.136 -5.541 106 HA VAL 18 HA VAL 18 -13.886 -3.157 -4.964 107 HB VAL 18 HB VAL 18 -12.954 -5.295 -4.217 108 1HG1 VAL 18 1HG1 VAL 18 -10.737 -4.190 -3.470 109 2HG1 VAL 18 2HG1 VAL 18 -11.584 -3.864 -1.939 110 3HG1 VAL 18 3HG1 VAL 18 -11.377 -5.540 -2.502 111 1HG2 VAL 18 1HG2 VAL 18 -14.839 -3.774 -2.959 112 2HG2 VAL 18 2HG2 VAL 18 -14.457 -5.462 -2.540 113 3HG2 VAL 18 3HG2 VAL 18 -13.729 -4.128 -1.613 114 MG1 VAL 18 MG1 VAL 18 -11.233 -4.531 -2.637 115 MG2 VAL 18 MG2 VAL 18 -14.341 -4.455 -2.371 116 QG VAL 18 QG VAL 18 -12.787 -4.493 -2.504 117 H TYR 19 H TYR 19 -10.711 -2.107 -3.627 118 HA TYR 19 HA TYR 19 -11.793 -0.356 -1.710 119 1HB TYR 19 1HB TYR 19 -9.199 -0.836 -3.234 120 2HB TYR 19 2HB TYR 19 -9.322 0.647 -2.309 121 HD1 TYR 19 HD1 TYR 19 -9.772 0.494 0.197 122 HD2 TYR 19 HD2 TYR 19 -8.711 -2.904 -2.175 123 HE1 TYR 19 HE1 TYR 19 -9.092 -0.768 2.296 124 HE2 TYR 19 HE2 TYR 19 -8.034 -4.155 -0.068 125 HH TYR 19 HH TYR 19 -8.717 -2.860 3.093 126 QB TYR 19 QB TYR 19 -9.260 -0.095 -2.771 127 QD TYR 19 QD TYR 19 -9.241 -1.205 -0.989 128 QE TYR 19 QE TYR 19 -8.563 -2.461 1.114 129 QR TYR 19 QR TYR 19 -8.902 -1.833 0.062 130 H GLU 20 H GLU 20 -10.906 0.004 -5.173 131 HA GLU 20 HA GLU 20 -10.857 2.700 -5.357 132 1HB GLU 20 1HB GLU 20 -11.025 0.484 -7.136 133 2HB GLU 20 2HB GLU 20 -12.294 1.586 -7.631 134 1HG GLU 20 1HG GLU 20 -9.771 2.986 -6.989 135 2HG GLU 20 2HG GLU 20 -9.576 1.812 -8.275 136 HE2 GLU 20 HE2 GLU 20 -10.799 5.067 -9.579 137 QB GLU 20 QB GLU 20 -11.659 1.035 -7.384 138 QG GLU 20 QG GLU 20 -9.673 2.399 -7.632 139 H LYS 21 H LYS 21 -13.692 0.516 -5.133 140 HA LYS 21 HA LYS 21 -15.679 2.270 -5.867 141 1HB LYS 21 1HB LYS 21 -16.901 0.471 -5.418 142 2HB LYS 21 2HB LYS 21 -15.478 -0.309 -4.757 143 1HG LYS 21 1HG LYS 21 -15.953 0.578 -2.518 144 2HG LYS 21 2HG LYS 21 -17.264 1.563 -3.136 145 1HD LYS 21 1HD LYS 21 -18.058 -0.910 -4.033 146 2HD LYS 21 2HD LYS 21 -17.193 -1.375 -2.581 147 1HE LYS 21 1HE LYS 21 -18.852 -0.590 -1.235 148 2HE LYS 21 2HE LYS 21 -18.878 0.959 -2.052 149 QB LYS 21 QB LYS 21 -16.190 0.081 -5.088 150 QD LYS 21 QD LYS 21 -17.626 -1.143 -3.307 151 QG LYS 21 QG LYS 21 -16.609 1.070 -2.827 152 QE LYS 21 QE LYS 21 -18.865 0.185 -1.643 153 QZ LYS 21 QZ LYS 21 -20.742 -0.349 -2.724 154 H TYR 22 H TYR 22 -13.998 1.870 -2.703 155 HA TYR 22 HA TYR 22 -15.625 3.820 -1.412 156 1HB TYR 22 2HB TYR 22 -13.927 3.429 0.379 157 2HB TYR 22 1HB TYR 22 -12.791 2.787 -0.791 158 HD1 TYR 22 HD1 TYR 22 -16.428 1.992 -0.439 159 HD2 TYR 22 HD2 TYR 22 -12.404 0.597 -0.035 160 HE1 TYR 22 HE1 TYR 22 -17.282 -0.359 0.015 161 HE2 TYR 22 HE2 TYR 22 -13.272 -1.750 0.418 162 HH TYR 22 HH TYR 22 -15.315 -3.049 -0.130 163 QB TYR 22 QB TYR 22 -13.359 3.108 -0.206 164 QD TYR 22 QD TYR 22 -14.416 1.294 -0.237 165 QE TYR 22 QE TYR 22 -15.277 -1.054 0.217 166 QR TYR 22 QR TYR 22 -14.847 0.120 -0.010 167 H TYR 23 H TYR 23 -12.240 3.776 -2.726 168 HA TYR 23 HA TYR 23 -11.539 6.341 -2.015 169 1HB TYR 23 1HB TYR 23 -9.938 4.757 -2.957 170 2HB TYR 23 2HB TYR 23 -10.968 4.424 -4.335 171 HD1 TYR 23 HD1 TYR 23 -11.269 6.254 -6.101 172 HD2 TYR 23 HD2 TYR 23 -8.259 6.424 -3.065 173 HE1 TYR 23 HE1 TYR 23 -9.971 7.956 -7.473 174 HE2 TYR 23 HE2 TYR 23 -6.972 8.126 -4.447 175 HH TYR 23 HH TYR 23 -7.727 8.740 -7.708 176 QB TYR 23 QB TYR 23 -10.453 4.591 -3.646 177 QD TYR 23 QD TYR 23 -9.764 6.339 -4.583 178 QE TYR 23 QE TYR 23 -8.471 8.041 -5.960 179 QR TYR 23 QR TYR 23 -9.118 7.190 -5.272 180 H ARG 24 H ARG 24 -13.718 5.204 -4.573 181 HA ARG 24 HA ARG 24 -13.606 7.679 -5.960 182 1HB ARG 24 1HB ARG 24 -14.098 5.495 -7.099 183 2HB ARG 24 2HB ARG 24 -15.587 5.356 -6.186 184 1HG ARG 24 1HG ARG 24 -16.680 6.663 -7.680 185 2HG ARG 24 2HG ARG 24 -15.537 7.968 -7.427 186 1HD ARG 24 1HD ARG 24 -14.387 7.498 -9.355 187 2HD ARG 24 2HD ARG 24 -14.413 5.770 -9.064 188 HE ARG 24 HE ARG 24 -17.058 6.715 -9.762 189 1HH1 ARG 24 1HH1 ARG 24 -13.911 5.931 -11.189 190 2HH1 ARG 24 2HH1 ARG 24 -14.570 5.566 -12.749 191 2HH2 ARG 24 HH2 ARG 24 -16.934 5.752 -13.097 192 QB ARG 24 QB ARG 24 -14.842 5.425 -6.643 193 QG ARG 24 QG ARG 24 -16.108 7.316 -7.554 194 QD ARG 24 QD ARG 24 -14.400 6.634 -9.210 195 QH1 ARG 24 QH1 ARG 24 -14.240 5.748 -11.969 196 H GLN 25 H GLN 25 -15.507 6.176 -3.373 197 HA GLN 25 HA GLN 25 -17.791 7.721 -3.588 198 1HB GLN 25 1HB GLN 25 -16.490 6.046 -1.483 199 2HB GLN 25 2HB GLN 25 -17.661 7.214 -0.904 200 1HG GLN 25 1HG GLN 25 -18.986 6.148 -3.098 201 2HG GLN 25 2HG GLN 25 -18.084 4.757 -2.527 202 2HE2 GLN 25 1HE2 GLN 25 -17.999 4.878 0.086 203 1HE2 GLN 25 2HE2 GLN 25 -19.566 4.902 0.826 204 QB GLN 25 QB GLN 25 -17.076 6.630 -1.194 205 QG GLN 25 QG GLN 25 -18.535 5.453 -2.812 206 QE GLN 25 QE GLN 25 -18.782 4.890 0.456 207 H VAL 26 H VAL 26 -14.578 8.369 -2.200 208 HA VAL 26 HA VAL 26 -15.508 10.792 -0.921 209 HB VAL 26 HB VAL 26 -13.555 10.760 0.212 210 1HG1 VAL 26 1HG1 VAL 26 -14.679 8.445 0.284 211 2HG1 VAL 26 2HG1 VAL 26 -13.323 7.899 -0.732 212 3HG1 VAL 26 3HG1 VAL 26 -13.008 8.574 0.885 213 1HG2 VAL 26 1HG2 VAL 26 -12.357 9.989 -2.408 214 2HG2 VAL 26 2HG2 VAL 26 -11.862 11.238 -1.241 215 3HG2 VAL 26 3HG2 VAL 26 -11.468 9.529 -0.936 216 MG1 VAL 26 MG1 VAL 26 -13.670 8.306 0.146 217 MG2 VAL 26 MG2 VAL 26 -11.896 10.252 -1.528 218 QG VAL 26 QG VAL 26 -12.783 9.279 -0.691 219 H GLU 27 H GLU 27 -14.091 9.686 -3.951 220 HA GLU 27 HA GLU 27 -12.787 11.936 -4.756 221 1HB GLU 27 1HB GLU 27 -12.840 9.729 -5.951 222 2HB GLU 27 2HB GLU 27 -14.473 10.073 -6.487 223 1HG GLU 27 1HG GLU 27 -13.088 12.390 -7.224 224 2HG GLU 27 2HG GLU 27 -11.901 11.130 -7.499 225 HE2 GLU 27 HE2 GLU 27 -13.006 9.569 -9.808 226 QB GLU 27 QB GLU 27 -13.657 9.901 -6.219 227 QG GLU 27 QG GLU 27 -12.494 11.760 -7.361 228 H ALA 28 H ALA 28 -13.367 13.886 -5.802 229 HA ALA 28 HA ALA 28 -16.252 14.452 -5.742 230 1HB ALA 28 1HB ALA 28 -14.271 15.665 -4.287 231 2HB ALA 28 3HB ALA 28 -15.798 16.451 -4.758 232 3HB ALA 28 2HB ALA 28 -14.328 16.708 -5.728 233 MB ALA 28 MB ALA 28 -14.799 16.275 -4.924 234 H GLY 29 H GLY 29 -16.881 16.226 -7.378 235 1HA GLY 29 1HA GLY 29 -17.113 16.808 -9.535 236 2HA GLY 29 2HA GLY 29 -15.363 16.880 -9.592 237 QA GLY 29 QA GLY 29 -16.238 16.844 -9.564 238 H ASN 30 H ASN 30 -15.950 16.166 -11.926 239 HA ASN 30 HA ASN 30 -16.054 13.252 -11.926 240 1HB ASN 30 1HB ASN 30 -17.460 15.302 -13.628 241 2HB ASN 30 2HB ASN 30 -16.891 13.867 -14.456 242 2HD2 ASN 30 1HD2 ASN 30 -18.189 12.205 -14.517 243 1HD2 ASN 30 2HD2 ASN 30 -19.489 11.846 -13.431 244 QB ASN 30 QB ASN 30 -17.175 14.584 -14.042 245 QD ASN 30 QD ASN 30 -18.839 12.025 -13.974 246 H THR 31 H THR 31 -13.578 14.350 -11.615 247 HA THR 31 HA THR 31 -12.457 14.534 -14.334 248 HB THR 31 HB THR 31 -10.676 15.893 -13.267 249 HG1 THR 31 HG1 THR 31 -12.337 15.626 -10.878 250 1HG2 THR 31 1HG2 THR 31 -13.565 16.632 -12.823 251 2HG2 THR 31 2HG2 THR 31 -12.339 17.589 -11.957 252 3HG2 THR 31 3HG2 THR 31 -12.308 17.500 -13.735 253 MG THR 31 MG THR 31 -12.737 17.240 -12.838 254 H GLY 32 H GLY 32 -12.388 12.895 -11.188 255 1HA GLY 32 1HA GLY 32 -11.740 10.616 -11.123 256 2HA GLY 32 2HA GLY 32 -10.568 10.913 -12.392 257 QA GLY 32 QA GLY 32 -11.154 10.764 -11.757 258 H ARG 33 H ARG 33 -10.764 13.473 -10.046 259 HA ARG 33 HA ARG 33 -8.366 12.391 -8.799 260 1HB ARG 33 1HB ARG 33 -9.135 15.166 -9.700 261 2HB ARG 33 2HB ARG 33 -8.130 15.041 -8.270 262 1HG ARG 33 1HG ARG 33 -7.314 13.358 -10.618 263 2HG ARG 33 2HG ARG 33 -7.118 15.090 -10.799 264 1HD ARG 33 1HD ARG 33 -6.092 13.637 -8.327 265 2HD ARG 33 2HD ARG 33 -5.126 13.743 -9.786 266 HE ARG 33 HE ARG 33 -6.141 16.352 -9.019 267 1HH1 ARG 33 1HH1 ARG 33 -3.622 13.980 -8.257 268 2HH1 ARG 33 2HH1 ARG 33 -2.531 15.161 -7.614 269 2HH2 ARG 33 HH2 ARG 33 -3.186 17.465 -7.573 270 QB ARG 33 QB ARG 33 -8.633 15.103 -8.985 271 QG ARG 33 QG ARG 33 -7.216 14.224 -10.709 272 QD ARG 33 QD ARG 33 -5.609 13.690 -9.057 273 QH1 ARG 33 QH1 ARG 33 -3.076 14.570 -7.936 274 H VAL 34 H VAL 34 -8.190 12.515 -6.494 275 HA VAL 34 HA VAL 34 -10.725 13.143 -5.171 276 HB VAL 34 HB VAL 34 -9.667 10.848 -5.051 277 1HG1 VAL 34 1HG1 VAL 34 -7.322 11.964 -4.680 278 2HG1 VAL 34 2HG1 VAL 34 -7.814 11.977 -2.969 279 3HG1 VAL 34 3HG1 VAL 34 -7.723 10.437 -3.857 280 1HG2 VAL 34 1HG2 VAL 34 -11.339 11.945 -3.402 281 2HG2 VAL 34 2HG2 VAL 34 -10.476 10.474 -2.889 282 3HG2 VAL 34 3HG2 VAL 34 -9.942 12.069 -2.306 283 MG1 VAL 34 MG1 VAL 34 -7.620 11.459 -3.835 284 MG2 VAL 34 MG2 VAL 34 -10.586 11.496 -2.865 285 QG VAL 34 QG VAL 34 -9.103 11.478 -3.350 286 H LEU 35 H LEU 35 -10.871 15.079 -4.174 287 HA LEU 35 HA LEU 35 -8.666 16.775 -3.900 288 1HB LEU 35 1HB LEU 35 -11.513 16.821 -3.441 289 2HB LEU 35 2HB LEU 35 -10.675 17.602 -2.116 290 HG LEU 35 HG LEU 35 -10.235 18.305 -5.029 291 1HD1 LEU 35 1HD1 LEU 35 -12.498 18.869 -3.392 292 2HD1 LEU 35 2HD1 LEU 35 -11.589 20.381 -3.624 293 3HD1 LEU 35 3HD1 LEU 35 -12.134 19.446 -5.036 294 1HD2 LEU 35 1HD2 LEU 35 -8.372 18.836 -3.484 295 2HD2 LEU 35 2HD2 LEU 35 -9.127 20.281 -4.198 296 3HD2 LEU 35 3HD2 LEU 35 -9.491 19.826 -2.516 297 MD1 LEU 35 MD1 LEU 35 -12.074 19.565 -4.018 298 MD2 LEU 35 MD2 LEU 35 -8.997 19.648 -3.400 299 QB LEU 35 QB LEU 35 -11.094 17.211 -2.778 300 QD LEU 35 QD LEU 35 -10.535 19.606 -3.709 301 H ALA 36 H ALA 36 -9.590 14.001 -2.123 302 HA ALA 36 HA ALA 36 -8.529 13.042 -0.403 303 1HB ALA 36 2HB ALA 36 -7.108 15.628 0.271 304 2HB ALA 36 1HB ALA 36 -6.580 14.619 -1.097 305 3HB ALA 36 3HB ALA 36 -6.578 13.952 0.553 306 MB ALA 36 MB ALA 36 -6.755 14.733 -0.091 307 H LEU 37 H LEU 37 -9.380 16.517 0.213 308 HA LEU 37 HA LEU 37 -9.996 16.472 2.810 309 1HB LEU 37 1HB LEU 37 -11.333 17.802 0.477 310 2HB LEU 37 2HB LEU 37 -11.958 18.023 2.099 311 HG LEU 37 HG LEU 37 -10.424 19.828 1.301 312 1HD1 LEU 37 1HD1 LEU 37 -10.559 18.565 3.830 313 2HD1 LEU 37 2HD1 LEU 37 -8.859 19.023 3.565 314 3HD1 LEU 37 3HD1 LEU 37 -10.140 20.254 3.457 315 1HD2 LEU 37 1HD2 LEU 37 -8.851 18.457 0.035 316 2HD2 LEU 37 2HD2 LEU 37 -8.009 19.422 1.271 317 3HD2 LEU 37 3HD2 LEU 37 -8.293 17.686 1.539 318 MD1 LEU 37 MD1 LEU 37 -9.852 19.281 3.617 319 MD2 LEU 37 MD2 LEU 37 -8.384 18.522 0.949 320 QB LEU 37 QB LEU 37 -11.646 17.912 1.288 321 QD LEU 37 QD LEU 37 -9.118 18.901 2.283 322 H ASP 38 H ASP 38 -12.083 15.198 0.146 323 HA ASP 38 HA ASP 38 -14.192 14.513 1.800 324 1HB ASP 38 1HB ASP 38 -13.446 14.228 -0.954 325 2HB ASP 38 2HB ASP 38 -13.895 12.628 -0.397 326 HD2 ASP 38 HD2 ASP 38 -17.021 13.015 -0.814 327 QB ASP 38 QB ASP 38 -13.671 13.428 -0.675 328 H ALA 39 H ALA 39 -11.329 12.669 0.535 329 HA ALA 39 HA ALA 39 -11.892 10.171 1.458 330 1HB ALA 39 2HB ALA 39 -9.112 10.744 1.923 331 2HB ALA 39 1HB ALA 39 -9.645 11.637 0.479 332 3HB ALA 39 3HB ALA 39 -9.856 9.872 0.562 333 MB ALA 39 MB ALA 39 -9.538 10.751 0.988 334 H ALA 40 H ALA 40 -10.675 13.025 3.271 335 HA ALA 40 HA ALA 40 -10.102 11.631 5.642 336 1HB ALA 40 2HB ALA 40 -10.966 14.415 5.969 337 2HB ALA 40 3HB ALA 40 -9.378 13.672 6.275 338 3HB ALA 40 1HB ALA 40 -9.806 14.213 4.634 339 MB ALA 40 MB ALA 40 -10.050 14.100 5.626 340 H ALA 41 H ALA 41 -13.072 13.006 4.217 341 HA ALA 41 HA ALA 41 -14.587 12.866 6.610 342 1HB ALA 41 3HB ALA 41 -16.471 13.323 5.122 343 2HB ALA 41 2HB ALA 41 -15.485 12.905 3.700 344 3HB ALA 41 1HB ALA 41 -15.088 14.347 4.665 345 MB ALA 41 MB ALA 41 -15.682 13.525 4.496 346 H PHE 42 H PHE 42 -14.200 10.739 3.703 347 HA PHE 42 HA PHE 42 -16.057 8.834 4.400 348 1HB PHE 42 1HB PHE 42 -14.997 8.780 2.227 349 2HB PHE 42 2HB PHE 42 -13.392 8.917 2.916 350 HD1 PHE 42 HD1 PHE 42 -16.287 6.563 2.853 351 HD2 PHE 42 HD2 PHE 42 -12.073 7.023 3.042 352 HE1 PHE 42 HE1 PHE 42 -16.008 4.073 2.699 353 HE2 PHE 42 HE2 PHE 42 -11.794 4.533 2.888 354 HZ PHE 42 HZ PHE 42 -13.765 3.088 2.719 355 QB PHE 42 QB PHE 42 -14.194 8.849 2.572 356 QD PHE 42 QD PHE 42 -14.180 6.793 2.947 357 QE PHE 42 QE PHE 42 -13.901 4.303 2.794 358 QR PHE 42 QR PHE 42 -14.040 5.548 2.870 359 H LEU 43 H LEU 43 -12.639 9.236 5.455 360 HA LEU 43 HA LEU 43 -12.312 6.769 6.659 361 1HB LEU 43 1HB LEU 43 -11.149 9.491 7.221 362 2HB LEU 43 2HB LEU 43 -10.659 8.062 8.110 363 HG LEU 43 HG LEU 43 -10.478 8.287 5.096 364 1HD1 LEU 43 1HD1 LEU 43 -8.959 9.720 6.973 365 2HD1 LEU 43 2HD1 LEU 43 -7.923 8.375 6.438 366 3HD1 LEU 43 3HD1 LEU 43 -8.621 9.492 5.241 367 1HD2 LEU 43 1HD2 LEU 43 -9.854 6.188 7.078 368 2HD2 LEU 43 2HD2 LEU 43 -10.250 6.064 5.347 369 3HD2 LEU 43 3HD2 LEU 43 -8.596 6.484 5.854 370 MD1 LEU 43 MD1 LEU 43 -8.501 9.196 6.217 371 MD2 LEU 43 MD2 LEU 43 -9.567 6.245 6.093 372 QB LEU 43 QB LEU 43 -10.904 8.776 7.666 373 QD LEU 43 QD LEU 43 -9.034 7.721 6.155 374 H LYS 44 H LYS 44 -13.759 9.826 7.919 375 HA LYS 44 HA LYS 44 -14.097 9.036 10.534 376 1HB LYS 44 1HB LYS 44 -15.825 10.838 8.812 377 2HB LYS 44 2HB LYS 44 -15.941 10.718 10.556 378 1HG LYS 44 1HG LYS 44 -13.192 11.100 10.117 379 2HG LYS 44 2HG LYS 44 -13.939 12.124 8.908 380 1HD LYS 44 1HD LYS 44 -15.477 12.583 11.228 381 2HD LYS 44 2HD LYS 44 -13.835 12.463 11.829 382 1HE LYS 44 1HE LYS 44 -14.649 14.244 9.484 383 2HE LYS 44 2HE LYS 44 -14.542 14.810 11.139 384 QB LYS 44 QB LYS 44 -15.883 10.778 9.685 385 QD LYS 44 QD LYS 44 -14.656 12.523 11.529 386 QG LYS 44 QG LYS 44 -13.566 11.612 9.512 387 QE LYS 44 QE LYS 44 -14.596 14.527 10.311 388 QZ LYS 44 QZ LYS 44 -12.251 13.874 10.195 389 H LYS 45 H LYS 45 -15.635 7.878 7.611 390 HA LYS 45 HA LYS 45 -17.937 6.839 8.970 391 1HB LYS 45 1HB LYS 45 -16.922 6.199 6.188 392 2HB LYS 45 2HB LYS 45 -18.536 5.935 6.815 393 1HG LYS 45 1HG LYS 45 -17.750 8.722 7.213 394 2HG LYS 45 2HG LYS 45 -17.546 8.275 5.531 395 1HD LYS 45 1HD LYS 45 -20.068 7.229 6.644 396 2HD LYS 45 2HD LYS 45 -19.966 8.973 6.789 397 1HE LYS 45 1HE LYS 45 -19.162 8.875 4.263 398 2HE LYS 45 2HE LYS 45 -19.889 7.280 4.274 399 QB LYS 45 QB LYS 45 -17.729 6.067 6.502 400 QD LYS 45 QD LYS 45 -20.017 8.101 6.717 401 QG LYS 45 QG LYS 45 -17.648 8.499 6.372 402 QE LYS 45 QE LYS 45 -19.526 8.078 4.268 403 QZ LYS 45 QZ LYS 45 -21.399 9.449 4.513 404 H SER 46 H SER 46 -14.758 6.103 9.267 405 HA SER 46 HA SER 46 -14.905 3.293 8.909 406 1HB SER 46 2HB SER 46 -12.791 4.619 8.671 407 2HB SER 46 1HB SER 46 -12.633 3.268 9.775 408 HG SER 46 HG SER 46 -12.698 6.069 10.331 409 QB SER 46 QB SER 46 -12.712 3.944 9.223 410 H GLY 47 H GLY 47 -14.044 5.199 11.887 411 1HA GLY 47 1HA GLY 47 -16.072 4.508 13.561 412 2HA GLY 47 2HA GLY 47 -15.029 3.101 13.592 413 QA GLY 47 QA GLY 47 -15.550 3.805 13.577 414 H LEU 48 H LEU 48 -12.543 4.731 13.042 415 HA LEU 48 HA LEU 48 -11.917 5.278 15.747 416 1HB LEU 48 1HB LEU 48 -10.496 5.508 13.118 417 2HB LEU 48 2HB LEU 48 -9.799 6.231 14.554 418 HG LEU 48 HG LEU 48 -10.625 3.331 14.521 419 1HD1 LEU 48 1HD1 LEU 48 -8.106 4.558 13.406 420 2HD1 LEU 48 2HD1 LEU 48 -8.146 2.892 14.033 421 3HD1 LEU 48 3HD1 LEU 48 -9.193 3.356 12.670 422 1HD2 LEU 48 1HD2 LEU 48 -9.726 4.994 16.539 423 2HD2 LEU 48 2HD2 LEU 48 -9.707 3.214 16.549 424 3HD2 LEU 48 3HD2 LEU 48 -8.259 4.117 16.041 425 MD1 LEU 48 MD1 LEU 48 -8.482 3.602 13.370 426 MD2 LEU 48 MD2 LEU 48 -9.231 4.108 16.376 427 QB LEU 48 QB LEU 48 -10.148 5.869 13.836 428 QD LEU 48 QD LEU 48 -8.856 3.855 14.873 429 HA PRO 49 HA PRO 49 -12.802 9.494 15.975 430 1HB PRO 49 1HB PRO 49 -10.839 10.475 17.602 431 2HB PRO 49 2HB PRO 49 -12.233 9.600 18.203 432 1HG PRO 49 2HG PRO 49 -10.732 7.989 18.891 433 2HG PRO 49 1HG PRO 49 -9.440 8.671 17.923 434 1HD PRO 49 1HD PRO 49 -9.747 6.984 16.392 435 2HD PRO 49 2HD PRO 49 -11.113 6.371 17.303 436 QB PRO 49 QB PRO 49 -11.536 10.038 17.903 437 QG PRO 49 QG PRO 49 -10.086 8.330 18.407 438 QD PRO 49 QD PRO 49 -10.430 6.678 16.848 439 H ASP 50 H ASP 50 -11.559 11.853 16.075 440 HA ASP 50 HA ASP 50 -10.509 11.905 13.413 441 1HB ASP 50 1HB ASP 50 -12.004 13.690 13.867 442 2HB ASP 50 2HB ASP 50 -11.348 13.962 15.469 443 HD2 ASP 50 HD2 ASP 50 -9.839 16.677 14.269 444 QB ASP 50 QB ASP 50 -11.676 13.826 14.668 445 H LEU 51 H LEU 51 -9.491 12.280 16.822 446 HA LEU 51 HA LEU 51 -7.039 13.530 16.406 447 1HB LEU 51 1HB LEU 51 -7.419 13.598 18.588 448 2HB LEU 51 2HB LEU 51 -8.470 12.196 18.550 449 HG LEU 51 HG LEU 51 -6.608 10.688 18.761 450 1HD1 LEU 51 1HD1 LEU 51 -5.104 12.839 17.654 451 2HD1 LEU 51 2HD1 LEU 51 -4.390 12.416 19.229 452 3HD1 LEU 51 3HD1 LEU 51 -4.592 11.165 17.978 453 1HD2 LEU 51 1HD2 LEU 51 -7.470 12.362 20.737 454 2HD2 LEU 51 2HD2 LEU 51 -6.381 10.975 20.973 455 3HD2 LEU 51 3HD2 LEU 51 -5.710 12.614 20.799 456 MD1 LEU 51 MD1 LEU 51 -4.695 12.140 18.287 457 MD2 LEU 51 MD2 LEU 51 -6.520 11.984 20.836 458 QB LEU 51 QB LEU 51 -7.945 12.897 18.569 459 QD LEU 51 QD LEU 51 -5.608 12.062 19.562 460 H ILE 52 H ILE 52 -7.573 10.011 17.151 461 HA ILE 52 HA ILE 52 -5.046 9.194 16.473 462 HB ILE 52 HB ILE 52 -7.699 7.769 16.353 463 1HG1 ILE 52 1HG1 ILE 52 -6.680 8.724 18.545 464 2HG1 ILE 52 2HG1 ILE 52 -7.315 7.091 18.524 465 1HG2 ILE 52 1HG2 ILE 52 -4.921 6.758 15.812 466 2HG2 ILE 52 2HG2 ILE 52 -6.147 5.696 16.545 467 3HG2 ILE 52 3HG2 ILE 52 -6.441 6.424 14.948 468 1HD1 ILE 52 1HD1 ILE 52 -5.018 6.193 18.143 469 2HD1 ILE 52 2HD1 ILE 52 -4.378 7.853 18.183 470 3HD1 ILE 52 3HD1 ILE 52 -5.113 7.148 19.642 471 MG ILE 52 MG ILE 52 -5.836 6.293 15.768 472 MD ILE 52 MD ILE 52 -4.836 7.065 18.656 473 QG ILE 52 QG ILE 52 -6.997 7.908 18.535 474 H LEU 53 H LEU 53 -7.882 9.852 14.390 475 HA LEU 53 HA LEU 53 -6.840 8.691 12.067 476 1HB LEU 53 1HB LEU 53 -9.031 10.524 12.805 477 2HB LEU 53 2HB LEU 53 -8.457 10.673 11.156 478 HG LEU 53 HG LEU 53 -9.504 8.150 12.469 479 1HD1 LEU 53 1HD1 LEU 53 -10.695 10.155 10.572 480 2HD1 LEU 53 2HD1 LEU 53 -11.236 8.459 10.560 481 3HD1 LEU 53 3HD1 LEU 53 -11.387 9.430 12.044 482 1HD2 LEU 53 1HD2 LEU 53 -8.202 8.624 9.800 483 2HD2 LEU 53 2HD2 LEU 53 -7.930 7.321 10.982 484 3HD2 LEU 53 3HD2 LEU 53 -9.418 7.341 10.006 485 MD1 LEU 53 MD1 LEU 53 -11.106 9.348 11.059 486 MD2 LEU 53 MD2 LEU 53 -8.517 7.762 10.263 487 QB LEU 53 QB LEU 53 -8.744 10.599 11.981 488 QD LEU 53 QD LEU 53 -9.811 8.555 10.661 489 H GLY 54 H GLY 54 -6.696 12.067 13.370 490 1HA GLY 54 1HA GLY 54 -5.470 13.413 11.386 491 2HA GLY 54 2HA GLY 54 -5.089 13.634 13.082 492 QA GLY 54 QA GLY 54 -5.280 13.524 12.234 493 H LYS 55 H LYS 55 -3.934 11.026 13.623 494 HA LYS 55 HA LYS 55 -1.308 11.530 12.750 495 1HB LYS 55 1HB LYS 55 -2.609 9.210 14.191 496 2HB LYS 55 2HB LYS 55 -0.897 9.253 13.825 497 1HG LYS 55 1HG LYS 55 -1.631 11.807 14.966 498 2HG LYS 55 2HG LYS 55 -2.287 10.546 15.991 499 1HD LYS 55 1HD LYS 55 0.002 9.442 16.000 500 2HD LYS 55 2HD LYS 55 0.623 10.813 15.104 501 1HE LYS 55 1HE LYS 55 -0.194 12.329 16.981 502 2HE LYS 55 2HE LYS 55 -0.634 10.895 17.888 503 QB LYS 55 QB LYS 55 -1.753 9.232 14.008 504 QD LYS 55 QD LYS 55 0.312 10.127 15.552 505 QG LYS 55 QG LYS 55 -1.959 11.176 15.479 506 QE LYS 55 QE LYS 55 -0.414 11.612 17.434 507 QZ LYS 55 QZ LYS 55 1.765 10.651 17.727 508 H ILE 56 H ILE 56 -3.888 9.241 11.713 509 HA ILE 56 HA ILE 56 -2.342 7.740 9.971 510 HB ILE 56 HB ILE 56 -5.257 8.411 10.161 511 1HG1 ILE 56 1HG1 ILE 56 -3.605 5.912 10.613 512 2HG1 ILE 56 2HG1 ILE 56 -4.400 6.894 11.828 513 1HG2 ILE 56 1HG2 ILE 56 -3.871 7.417 7.796 514 2HG2 ILE 56 2HG2 ILE 56 -5.109 6.284 8.389 515 3HG2 ILE 56 3HG2 ILE 56 -5.553 7.963 7.999 516 1HD1 ILE 56 1HD1 ILE 56 -6.464 6.269 10.016 517 2HD1 ILE 56 2HD1 ILE 56 -5.513 4.770 10.146 518 3HD1 ILE 56 3HD1 ILE 56 -6.193 5.523 11.608 519 MG ILE 56 MG ILE 56 -4.845 7.221 8.061 520 MD ILE 56 MD ILE 56 -6.057 5.521 10.590 521 QG ILE 56 QG ILE 56 -4.002 6.403 11.221 522 H TRP 57 H TRP 57 -4.409 10.649 9.276 523 HA TRP 57 HA TRP 57 -3.743 10.868 6.606 524 1HB TRP 57 1HB TRP 57 -5.550 12.071 7.878 525 2HB TRP 57 2HB TRP 57 -4.318 13.156 8.492 526 HD1 TRP 57 HD1 TRP 57 -3.200 14.881 6.668 527 HE1 TRP 57 HE1 TRP 57 -3.986 15.847 4.341 528 HE3 TRP 57 HE3 TRP 57 -6.814 11.399 5.850 529 HZ2 TRP 57 HZ2 TRP 57 -5.986 15.063 2.461 530 HZ3 TRP 57 HZ3 TRP 57 -8.137 11.571 3.745 531 HH2 TRP 57 HH2 TRP 57 -7.771 13.324 2.081 532 QB TRP 57 QB TRP 57 -4.934 12.613 8.185 533 H ASP 58 H ASP 58 -2.227 12.386 9.541 534 HA ASP 58 HA ASP 58 -0.356 13.894 8.418 535 1HB ASP 58 1HB ASP 58 -0.818 13.155 10.929 536 2HB ASP 58 2HB ASP 58 0.465 11.998 10.637 537 HD2 ASP 58 HD2 ASP 58 0.700 15.343 9.375 538 QB ASP 58 QB ASP 58 -0.177 12.577 10.783 539 H LEU 59 H LEU 59 -0.264 10.308 8.929 540 HA LEU 59 HA LEU 59 2.338 10.089 7.726 541 1HB LEU 59 1HB LEU 59 1.925 8.616 9.495 542 2HB LEU 59 2HB LEU 59 0.343 8.169 8.887 543 HG LEU 59 HG LEU 59 2.245 6.463 8.692 544 1HD1 LEU 59 1HD1 LEU 59 -0.008 7.008 7.073 545 2HD1 LEU 59 2HD1 LEU 59 1.300 6.494 5.982 546 3HD1 LEU 59 3HD1 LEU 59 0.812 5.450 7.338 547 1HD2 LEU 59 1HD2 LEU 59 3.559 8.544 7.427 548 2HD2 LEU 59 2HD2 LEU 59 4.036 6.829 7.418 549 3HD2 LEU 59 3HD2 LEU 59 3.060 7.489 6.083 550 MD1 LEU 59 MD1 LEU 59 0.701 6.317 6.798 551 MD2 LEU 59 MD2 LEU 59 3.552 7.620 6.976 552 QB LEU 59 QB LEU 59 1.134 8.392 9.191 553 QD LEU 59 QD LEU 59 2.126 6.969 6.887 554 H ALA 60 H ALA 60 -1.054 9.978 6.760 555 HA ALA 60 HA ALA 60 -0.677 8.507 4.382 556 1HB ALA 60 3HB ALA 60 -2.927 8.904 4.060 557 2HB ALA 60 2HB ALA 60 -2.826 10.584 4.641 558 3HB ALA 60 1HB ALA 60 -2.820 9.237 5.805 559 MB ALA 60 MB ALA 60 -2.858 9.575 4.835 560 H ASP 61 H ASP 61 -1.263 12.067 4.880 561 HA ASP 61 HA ASP 61 -0.918 12.985 2.457 562 1HB ASP 61 1HB ASP 61 -1.194 14.394 4.491 563 2HB ASP 61 2HB ASP 61 0.469 14.083 4.948 564 HD2 ASP 61 HD2 ASP 61 -0.634 16.895 2.492 565 QB ASP 61 QB ASP 61 -0.363 14.239 4.720 566 H THR 62 H THR 62 0.780 13.280 0.925 567 HA THR 62 HA THR 62 3.522 12.866 1.746 568 HB THR 62 HB THR 62 2.098 10.985 -0.211 569 HG1 THR 62 HG1 THR 62 2.472 9.522 1.556 570 1HG2 THR 62 1HG2 THR 62 4.992 11.176 0.769 571 2HG2 THR 62 2HG2 THR 62 4.313 9.729 -0.014 572 3HG2 THR 62 3HG2 THR 62 4.430 11.258 -0.918 573 MG THR 62 MG THR 62 4.578 10.721 -0.054 574 H ASP 63 H ASP 63 1.145 13.348 -0.922 575 HA ASP 63 HA ASP 63 2.947 14.336 -2.738 576 1HB ASP 63 1HB ASP 63 0.567 13.735 -3.218 577 2HB ASP 63 2HB ASP 63 0.029 15.126 -2.298 578 HD2 ASP 63 HD2 ASP 63 -0.979 15.460 -4.514 579 QB ASP 63 QB ASP 63 0.298 14.431 -2.758 580 H GLY 64 H GLY 64 0.850 16.005 -0.278 581 1HA GLY 64 1HA GLY 64 2.003 17.794 0.972 582 2HA GLY 64 2HA GLY 64 2.545 18.414 -0.575 583 QA GLY 64 QA GLY 64 2.274 18.104 0.199 584 H LYS 65 H LYS 65 0.634 18.746 -2.262 585 HA LYS 65 HA LYS 65 -0.908 20.796 -1.479 586 1HB LYS 65 1HB LYS 65 -0.517 19.635 -3.805 587 2HB LYS 65 2HB LYS 65 -2.026 18.820 -3.447 588 1HG LYS 65 1HG LYS 65 -3.212 20.939 -3.218 589 2HG LYS 65 2HG LYS 65 -1.716 21.850 -3.274 590 1HD LYS 65 1HD LYS 65 -1.378 20.732 -5.632 591 2HD LYS 65 2HD LYS 65 -3.085 20.349 -5.532 592 1HE LYS 65 1HE LYS 65 -3.746 22.612 -5.585 593 2HE LYS 65 2HE LYS 65 -2.217 23.185 -4.948 594 QB LYS 65 QB LYS 65 -1.272 19.227 -3.626 595 QD LYS 65 QD LYS 65 -2.232 20.541 -5.582 596 QG LYS 65 QG LYS 65 -2.464 21.394 -3.246 597 QE LYS 65 QE LYS 65 -2.981 22.898 -5.266 598 QZ LYS 65 QZ LYS 65 -2.327 23.150 -7.387 599 H GLY 66 H GLY 66 -2.479 17.573 -2.012 600 1HA GLY 66 1HA GLY 66 -3.511 17.234 0.545 601 2HA GLY 66 2HA GLY 66 -4.668 18.213 -0.334 602 QA GLY 66 QA GLY 66 -4.090 17.724 0.105 603 H VAL 67 H VAL 67 -4.565 17.255 -2.937 604 HA VAL 67 HA VAL 67 -6.249 15.188 -3.009 605 HB VAL 67 HB VAL 67 -3.982 15.591 -4.968 606 1HG1 VAL 67 1HG1 VAL 67 -5.860 13.628 -4.991 607 2HG1 VAL 67 2HG1 VAL 67 -6.714 14.904 -5.891 608 3HG1 VAL 67 3HG1 VAL 67 -5.128 14.326 -6.456 609 1HG2 VAL 67 1HG2 VAL 67 -6.442 17.212 -4.406 610 2HG2 VAL 67 2HG2 VAL 67 -4.804 17.740 -4.862 611 3HG2 VAL 67 3HG2 VAL 67 -5.887 17.040 -6.089 612 MG1 VAL 67 MG1 VAL 67 -5.900 14.286 -5.779 613 MG2 VAL 67 MG2 VAL 67 -5.711 17.330 -5.119 614 QG VAL 67 QG VAL 67 -5.806 15.808 -5.449 615 H LEU 68 H LEU 68 -6.151 12.884 -3.234 616 HA LEU 68 HA LEU 68 -3.760 11.780 -1.962 617 1HB LEU 68 1HB LEU 68 -6.549 10.656 -2.264 618 2HB LEU 68 2HB LEU 68 -5.210 9.844 -1.477 619 HG LEU 68 HG LEU 68 -6.689 12.316 -0.573 620 1HD1 LEU 68 1HD1 LEU 68 -6.188 9.608 0.691 621 2HD1 LEU 68 2HD1 LEU 68 -6.996 10.977 1.493 622 3HD1 LEU 68 3HD1 LEU 68 -7.727 10.232 0.051 623 1HD2 LEU 68 1HD2 LEU 68 -3.969 11.340 0.279 624 2HD2 LEU 68 2HD2 LEU 68 -4.496 12.987 -0.142 625 3HD2 LEU 68 3HD2 LEU 68 -5.025 12.247 1.388 626 MD1 LEU 68 MD1 LEU 68 -6.970 10.272 0.745 627 MD2 LEU 68 MD2 LEU 68 -4.497 12.191 0.508 628 QB LEU 68 QB LEU 68 -5.880 10.250 -1.871 629 QD LEU 68 QD LEU 68 -5.734 11.232 0.627 630 H SER 69 H SER 69 -3.089 9.545 -2.751 631 HA SER 69 HA SER 69 -3.285 9.568 -5.659 632 1HB SER 69 2HB SER 69 -1.081 8.662 -5.765 633 2HB SER 69 1HB SER 69 -1.108 8.155 -4.087 634 HG SER 69 HG SER 69 -0.326 10.060 -3.523 635 QB SER 69 QB SER 69 -1.095 8.408 -4.926 636 H LYS 70 H LYS 70 -1.888 6.814 -5.567 637 HA LYS 70 HA LYS 70 -4.337 5.305 -5.379 638 1HB LYS 70 1HB LYS 70 -1.577 4.813 -6.464 639 2HB LYS 70 2HB LYS 70 -2.639 3.455 -6.150 640 1HG LYS 70 2HG LYS 70 -4.342 5.228 -7.461 641 2HG LYS 70 1HG LYS 70 -3.535 3.861 -8.202 642 1HD LYS 70 1HD LYS 70 -2.531 6.741 -8.107 643 2HD LYS 70 2HD LYS 70 -1.535 5.404 -8.646 644 1HE LYS 70 1HE LYS 70 -3.857 5.008 -10.125 645 2HE LYS 70 2HE LYS 70 -3.789 6.756 -10.032 646 QB LYS 70 QB LYS 70 -2.108 4.134 -6.307 647 QD LYS 70 QD LYS 70 -2.033 6.073 -8.377 648 QG LYS 70 QG LYS 70 -3.938 4.545 -7.831 649 QE LYS 70 QE LYS 70 -3.823 5.882 -10.079 650 QZ LYS 70 QZ LYS 70 -1.700 6.277 -11.095 651 H GLN 71 H GLN 71 -1.243 3.824 -4.501 652 HA GLN 71 HA GLN 71 -2.176 2.437 -2.418 653 1HB GLN 71 2HB GLN 71 0.054 2.093 -3.372 654 2HB GLN 71 1HB GLN 71 0.181 2.281 -1.634 655 1HG GLN 71 2HG GLN 71 0.428 4.749 -3.358 656 2HG GLN 71 1HG GLN 71 1.783 3.638 -3.304 657 2HE2 GLN 71 1HE2 GLN 71 2.688 3.072 -1.239 658 1HE2 GLN 71 2HE2 GLN 71 2.656 4.195 0.078 659 QB GLN 71 QB GLN 71 0.118 2.187 -2.503 660 QG GLN 71 QG GLN 71 1.105 4.194 -3.331 661 QE GLN 71 QE GLN 71 2.672 3.633 -0.580 662 H GLU 72 H GLU 72 -1.373 5.885 -2.505 663 HA GLU 72 HA GLU 72 -0.926 6.419 0.105 664 1HB GLU 72 1HB GLU 72 -1.911 7.890 -2.245 665 2HB GLU 72 2HB GLU 72 -2.551 8.544 -0.751 666 1HG GLU 72 1HG GLU 72 0.256 7.945 -0.357 667 2HG GLU 72 2HG GLU 72 0.091 8.868 -1.837 668 HE2 GLU 72 HE2 GLU 72 -0.248 11.756 0.000 669 QB GLU 72 QB GLU 72 -2.231 8.217 -1.498 670 QG GLU 72 QG GLU 72 0.174 8.406 -1.097 671 H PHE 73 H PHE 73 -4.163 7.259 -1.272 672 HA PHE 73 HA PHE 73 -5.494 7.238 1.108 673 1HB PHE 73 1HB PHE 73 -6.520 8.134 -0.897 674 2HB PHE 73 2HB PHE 73 -6.199 6.674 -1.811 675 HD1 PHE 73 HD1 PHE 73 -7.574 4.627 -1.373 676 HD2 PHE 73 HD2 PHE 73 -8.535 8.392 0.333 677 HE1 PHE 73 HE1 PHE 73 -9.902 3.818 -0.898 678 HE2 PHE 73 HE2 PHE 73 -10.863 7.583 0.807 679 HZ PHE 73 HZ PHE 73 -11.519 5.306 0.186 680 QB PHE 73 QB PHE 73 -6.359 7.404 -1.354 681 QD PHE 73 QD PHE 73 -8.054 6.510 -0.520 682 QE PHE 73 QE PHE 73 -10.383 5.701 -0.046 683 QR PHE 73 QR PHE 73 -9.218 6.105 -0.283 684 H PHE 74 H PHE 74 -4.593 4.496 -0.984 685 HA PHE 74 HA PHE 74 -6.378 2.651 0.189 686 1HB PHE 74 1HB PHE 74 -4.027 2.779 -1.662 687 2HB PHE 74 2HB PHE 74 -4.134 1.261 -0.794 688 HD1 PHE 74 HD1 PHE 74 -6.273 3.569 -2.801 689 HD2 PHE 74 HD2 PHE 74 -5.430 -0.436 -1.681 690 HE1 PHE 74 HE1 PHE 74 -7.982 2.750 -4.446 691 HE2 PHE 74 HE2 PHE 74 -7.140 -1.256 -3.326 692 HZ PHE 74 HZ PHE 74 -8.395 0.347 -4.689 693 QB PHE 74 QB PHE 74 -4.080 2.020 -1.228 694 QD PHE 74 QD PHE 74 -5.851 1.566 -2.241 695 QE PHE 74 QE PHE 74 -7.561 0.747 -3.886 696 QR PHE 74 QR PHE 74 -6.706 1.157 -3.063 697 H VAL 75 H VAL 75 -3.343 4.073 1.202 698 HA VAL 75 HA VAL 75 -2.676 1.877 2.947 699 HB VAL 75 HB VAL 75 -1.486 4.462 2.097 700 1HG1 VAL 75 1HG1 VAL 75 -1.074 3.239 4.819 701 2HG1 VAL 75 2HG1 VAL 75 0.261 4.081 3.996 702 3HG1 VAL 75 3HG1 VAL 75 -1.249 4.950 4.360 703 1HG2 VAL 75 1HG2 VAL 75 -0.879 2.313 1.040 704 2HG2 VAL 75 2HG2 VAL 75 0.514 3.085 1.835 705 3HG2 VAL 75 3HG2 VAL 75 -0.307 1.710 2.614 706 MG1 VAL 75 MG1 VAL 75 -0.687 4.090 4.392 707 MG2 VAL 75 MG2 VAL 75 -0.224 2.370 1.830 708 QG VAL 75 QG VAL 75 -0.456 3.230 3.111 709 H ALA 76 H ALA 76 -3.450 5.403 3.420 710 HA ALA 76 HA ALA 76 -3.760 5.362 6.120 711 1HB ALA 76 2HB ALA 76 -5.791 7.052 5.079 712 2HB ALA 76 1HB ALA 76 -4.472 7.051 3.884 713 3HB ALA 76 3HB ALA 76 -4.143 7.506 5.573 714 MB ALA 76 MB ALA 76 -4.802 7.203 4.845 715 H LEU 77 H LEU 77 -5.814 3.922 3.638 716 HA LEU 77 HA LEU 77 -8.164 3.756 5.178 717 1HB LEU 77 1HB LEU 77 -7.349 3.173 2.578 718 2HB LEU 77 2HB LEU 77 -7.796 1.616 3.247 719 HG LEU 77 HG LEU 77 -9.558 4.080 3.135 720 1HD1 LEU 77 1HD1 LEU 77 -8.939 2.295 1.108 721 2HD1 LEU 77 2HD1 LEU 77 -10.484 1.687 1.749 722 3HD1 LEU 77 3HD1 LEU 77 -10.356 3.369 1.181 723 1HD2 LEU 77 1HD2 LEU 77 -9.781 1.568 4.654 724 2HD2 LEU 77 2HD2 LEU 77 -10.572 3.143 4.901 725 3HD2 LEU 77 3HD2 LEU 77 -11.224 1.997 3.705 726 MD1 LEU 77 MD1 LEU 77 -9.926 2.451 1.346 727 MD2 LEU 77 MD2 LEU 77 -10.526 2.236 4.420 728 QB LEU 77 QB LEU 77 -7.573 2.395 2.913 729 QD LEU 77 QD LEU 77 -10.226 2.343 2.883 730 H ARG 78 H ARG 78 -6.039 0.983 4.196 731 HA ARG 78 HA ARG 78 -6.971 -0.719 6.073 732 1HB ARG 78 1HB ARG 78 -4.269 -0.470 4.698 733 2HB ARG 78 2HB ARG 78 -4.550 -1.762 5.848 734 1HG ARG 78 1HG ARG 78 -6.120 -1.222 3.288 735 2HG ARG 78 2HG ARG 78 -5.062 -2.584 3.602 736 1HD ARG 78 1HD ARG 78 -7.048 -3.627 4.143 737 2HD ARG 78 2HD ARG 78 -6.753 -2.895 5.708 738 HE ARG 78 HE ARG 78 -8.109 -0.889 4.475 739 1HH1 ARG 78 1HH1 ARG 78 -8.791 -4.363 4.612 740 2HH1 ARG 78 2HH1 ARG 78 -10.506 -4.158 4.475 741 2HH2 ARG 78 HH2 ARG 78 -11.412 -1.947 4.289 742 QB ARG 78 QB ARG 78 -4.409 -1.116 5.273 743 QG ARG 78 QG ARG 78 -5.591 -1.903 3.445 744 QD ARG 78 QD ARG 78 -6.901 -3.261 4.925 745 QH1 ARG 78 QH1 ARG 78 -9.648 -4.260 4.544 746 H LEU 79 H LEU 79 -4.648 1.944 6.402 747 HA LEU 79 HA LEU 79 -3.361 1.157 8.732 748 1HB LEU 79 1HB LEU 79 -3.141 3.207 7.016 749 2HB LEU 79 2HB LEU 79 -3.982 4.030 8.315 750 HG LEU 79 HG LEU 79 -1.379 2.510 8.631 751 1HD1 LEU 79 1HD1 LEU 79 -1.946 5.452 8.240 752 2HD1 LEU 79 2HD1 LEU 79 -0.434 4.844 8.958 753 3HD1 LEU 79 3HD1 LEU 79 -0.876 4.389 7.295 754 1HD2 LEU 79 1HD2 LEU 79 -3.267 3.227 10.565 755 2HD2 LEU 79 2HD2 LEU 79 -1.579 2.728 10.832 756 3HD2 LEU 79 3HD2 LEU 79 -1.985 4.456 10.689 757 MD1 LEU 79 MD1 LEU 79 -1.085 4.895 8.164 758 MD2 LEU 79 MD2 LEU 79 -2.277 3.470 10.696 759 QB LEU 79 QB LEU 79 -3.562 3.618 7.665 760 QD LEU 79 QD LEU 79 -1.681 4.183 9.430 761 H VAL 80 H VAL 80 -6.486 2.874 8.198 762 HA VAL 80 HA VAL 80 -7.017 3.521 10.826 763 HB VAL 80 HB VAL 80 -8.904 2.709 8.606 764 1HG1 VAL 80 1HG1 VAL 80 -9.902 2.711 10.917 765 2HG1 VAL 80 2HG1 VAL 80 -9.499 4.441 11.025 766 3HG1 VAL 80 3HG1 VAL 80 -10.641 3.869 9.785 767 1HG2 VAL 80 1HG2 VAL 80 -7.123 4.873 8.743 768 2HG2 VAL 80 2HG2 VAL 80 -8.495 4.675 7.627 769 3HG2 VAL 80 3HG2 VAL 80 -8.715 5.552 9.160 770 MG1 VAL 80 MG1 VAL 80 -10.014 3.674 10.576 771 MG2 VAL 80 MG2 VAL 80 -8.111 5.033 8.510 772 QG VAL 80 QG VAL 80 -9.063 4.354 9.543 773 H ALA 81 H ALA 81 -7.352 0.425 9.055 774 HA ALA 81 HA ALA 81 -8.878 -0.888 11.008 775 1HB ALA 81 1HB ALA 81 -8.064 -1.426 8.472 776 2HB ALA 81 3HB ALA 81 -8.682 -2.667 9.588 777 3HB ALA 81 2HB ALA 81 -6.928 -2.448 9.384 778 MB ALA 81 MB ALA 81 -7.891 -2.180 9.148 779 H CYS 82 H CYS 82 -5.596 0.229 10.961 780 HA CYS 82 HA CYS 82 -4.567 -1.791 12.683 781 1HB CYS 82 1HB CYS 82 -3.389 -0.014 11.019 782 2HB CYS 82 2HB CYS 82 -3.218 0.860 12.528 783 HG CYS 82 HG CYS 82 -1.233 -0.731 12.003 784 QB CYS 82 QB CYS 82 -3.304 0.423 11.774 785 H ALA 83 H ALA 83 -4.934 1.803 13.163 786 HA ALA 83 HA ALA 83 -4.794 1.785 15.894 787 1HB ALA 83 3HB ALA 83 -4.655 3.860 14.781 788 2HB ALA 83 1HB ALA 83 -6.166 3.583 13.881 789 3HB ALA 83 2HB ALA 83 -6.220 3.938 15.624 790 MB ALA 83 MB ALA 83 -5.680 3.794 14.762 791 H GLN 84 H GLN 84 -7.364 0.657 13.788 792 HA GLN 84 HA GLN 84 -9.529 0.996 15.431 793 1HB GLN 84 1HB GLN 84 -8.800 -0.987 13.276 794 2HB GLN 84 2HB GLN 84 -10.263 -1.257 14.203 795 1HG GLN 84 1HG GLN 84 -10.037 1.552 13.365 796 2HG GLN 84 2HG GLN 84 -9.965 0.471 11.988 797 2HE2 GLN 84 1HE2 GLN 84 -12.038 2.052 12.026 798 1HE2 GLN 84 2HE2 GLN 84 -13.509 1.257 12.478 799 QB GLN 84 QB GLN 84 -9.531 -1.122 13.739 800 QG GLN 84 QG GLN 84 -10.001 1.012 12.677 801 QE GLN 84 QE GLN 84 -12.774 1.654 12.252 802 H ASN 85 H ASN 85 -6.766 -1.152 15.720 803 HA ASN 85 HA ASN 85 -8.185 -2.710 17.716 804 1HB ASN 85 1HB ASN 85 -6.899 -3.950 15.953 805 2HB ASN 85 2HB ASN 85 -5.432 -3.122 16.432 806 2HD2 ASN 85 1HD2 ASN 85 -4.834 -5.466 16.602 807 1HD2 ASN 85 2HD2 ASN 85 -5.027 -6.244 18.138 808 QB ASN 85 QB ASN 85 -6.166 -3.536 16.192 809 QD ASN 85 QD ASN 85 -4.930 -5.855 17.370 810 H GLY 86 H GLY 86 -5.958 -0.089 17.235 811 1HA GLY 86 1HA GLY 86 -5.401 1.277 19.110 812 2HA GLY 86 2HA GLY 86 -5.207 -0.163 20.089 813 QA GLY 86 QA GLY 86 -5.304 0.557 19.599 814 H LEU 87 H LEU 87 -4.020 -0.571 16.858 815 HA LEU 87 HA LEU 87 -1.337 -0.721 17.851 816 1HB LEU 87 1HB LEU 87 -2.557 -1.162 15.124 817 2HB LEU 87 2HB LEU 87 -0.855 -1.378 15.482 818 HG LEU 87 HG LEU 87 -3.007 -2.879 16.980 819 1HD1 LEU 87 1HD1 LEU 87 -2.745 -3.115 14.288 820 2HD1 LEU 87 2HD1 LEU 87 -1.562 -4.321 14.847 821 3HD1 LEU 87 3HD1 LEU 87 -3.259 -4.430 15.372 822 1HD2 LEU 87 1HD2 LEU 87 -0.025 -3.021 16.785 823 2HD2 LEU 87 2HD2 LEU 87 -1.091 -3.155 18.205 824 3HD2 LEU 87 3HD2 LEU 87 -0.946 -4.518 17.069 825 MD1 LEU 87 MD1 LEU 87 -2.522 -3.955 14.836 826 MD2 LEU 87 MD2 LEU 87 -0.687 -3.565 17.353 827 QB LEU 87 QB LEU 87 -1.706 -1.270 15.303 828 QD LEU 87 QD LEU 87 -1.605 -3.760 16.094 829 H GLU 88 H GLU 88 0.446 0.292 16.301 830 HA GLU 88 HA GLU 88 0.412 2.968 16.737 831 1HB GLU 88 1HB GLU 88 2.244 1.163 15.802 832 2HB GLU 88 2HB GLU 88 1.931 2.060 14.330 833 1HG GLU 88 1HG GLU 88 3.813 3.040 15.662 834 2HG GLU 88 2HG GLU 88 2.504 4.180 15.419 835 HE2 GLU 88 HE2 GLU 88 2.289 1.774 18.271 836 QB GLU 88 QB GLU 88 2.087 1.612 15.066 837 QG GLU 88 QG GLU 88 3.158 3.610 15.540 838 H VAL 89 H VAL 89 0.480 4.796 15.070 839 HA VAL 89 HA VAL 89 -1.717 4.370 13.178 840 HB VAL 89 HB VAL 89 -0.619 6.939 14.334 841 1HG1 VAL 89 1HG1 VAL 89 -2.545 6.334 12.230 842 2HG1 VAL 89 2HG1 VAL 89 -3.263 7.314 13.530 843 3HG1 VAL 89 3HG1 VAL 89 -1.803 7.886 12.688 844 1HG2 VAL 89 1HG2 VAL 89 -1.813 5.140 15.876 845 2HG2 VAL 89 2HG2 VAL 89 -2.162 6.878 16.034 846 3HG2 VAL 89 3HG2 VAL 89 -3.280 5.824 15.135 847 MG1 VAL 89 MG1 VAL 89 -2.537 7.178 12.816 848 MG2 VAL 89 MG2 VAL 89 -2.419 5.947 15.681 849 QG VAL 89 QG VAL 89 -2.478 6.563 14.249 850 H SER 90 H SER 90 1.603 4.290 13.295 851 HA SER 90 HA SER 90 1.960 5.788 10.853 852 1HB SER 90 1HB SER 90 3.790 4.591 12.927 853 2HB SER 90 2HB SER 90 4.429 4.852 11.317 854 HG SER 90 HG SER 90 3.609 7.124 11.537 855 QB SER 90 QB SER 90 4.109 4.721 12.122 856 H LEU 91 H LEU 91 3.388 4.664 9.100 857 HA LEU 91 HA LEU 91 2.043 2.376 8.227 858 1HB LEU 91 1HB LEU 91 4.233 4.104 7.333 859 2HB LEU 91 2HB LEU 91 4.401 2.439 6.812 860 HG LEU 91 HG LEU 91 2.010 4.231 6.301 861 1HD1 LEU 91 1HD1 LEU 91 4.493 3.695 4.819 862 2HD1 LEU 91 2HD1 LEU 91 3.006 3.507 3.858 863 3HD1 LEU 91 3HD1 LEU 91 3.339 5.044 4.692 864 1HD2 LEU 91 1HD2 LEU 91 2.499 1.317 5.746 865 2HD2 LEU 91 2HD2 LEU 91 1.058 2.121 6.413 866 3HD2 LEU 91 3HD2 LEU 91 1.447 2.282 4.683 867 MD1 LEU 91 MD1 LEU 91 3.613 4.082 4.456 868 MD2 LEU 91 MD2 LEU 91 1.668 1.907 5.614 869 QB LEU 91 QB LEU 91 4.317 3.271 7.072 870 QD LEU 91 QD LEU 91 2.640 2.994 5.035 871 H SER 92 H SER 92 4.667 2.840 10.478 872 HA SER 92 HA SER 92 6.119 0.578 10.159 873 1HB SER 92 1HB SER 92 5.429 2.366 12.447 874 2HB SER 92 2HB SER 92 6.051 0.789 12.895 875 HG SER 92 HG SER 92 7.634 2.646 12.489 876 QB SER 92 QB SER 92 5.740 1.578 12.671 877 H SER 93 H SER 93 3.048 1.033 12.035 878 HA SER 93 HA SER 93 2.971 -1.671 12.822 879 1HB SER 93 2HB SER 93 1.875 0.069 14.154 880 2HB SER 93 1HB SER 93 0.688 -1.110 13.633 881 HG SER 93 HG SER 93 1.083 1.103 11.903 882 QB SER 93 QB SER 93 1.281 -0.520 13.893 883 H LEU 94 H LEU 94 2.077 0.122 9.952 884 HA LEU 94 HA LEU 94 -0.003 -1.541 9.048 885 1HB LEU 94 1HB LEU 94 0.779 0.839 8.333 886 2HB LEU 94 2HB LEU 94 1.842 -0.021 7.237 887 HG LEU 94 HG LEU 94 -0.666 0.789 6.622 888 1HD1 LEU 94 1HD1 LEU 94 1.369 -0.551 5.373 889 2HD1 LEU 94 2HD1 LEU 94 0.029 -1.716 5.255 890 3HD1 LEU 94 3HD1 LEU 94 -0.167 -0.067 4.616 891 1HD2 LEU 94 1HD2 LEU 94 -1.692 -0.745 8.259 892 2HD2 LEU 94 2HD2 LEU 94 -2.190 -1.096 6.586 893 3HD2 LEU 94 3HD2 LEU 94 -0.981 -2.126 7.390 894 MD1 LEU 94 MD1 LEU 94 0.410 -0.778 5.081 895 MD2 LEU 94 MD2 LEU 94 -1.621 -1.322 7.412 896 QB LEU 94 QB LEU 94 1.310 0.409 7.785 897 QD LEU 94 QD LEU 94 -0.605 -1.050 6.246 898 H SER 95 H SER 95 3.567 -1.668 8.835 899 HA SER 95 HA SER 95 3.817 -3.513 6.855 900 1HB SER 95 1HB SER 95 6.005 -4.004 7.792 901 2HB SER 95 2HB SER 95 5.684 -2.294 8.005 902 HG SER 95 HG SER 95 6.457 -3.005 9.984 903 QB SER 95 QB SER 95 5.845 -3.149 7.899 904 H LEU 96 H LEU 96 2.550 -3.872 10.117 905 HA LEU 96 HA LEU 96 2.948 -6.703 10.236 906 1HB LEU 96 2HB LEU 96 1.826 -6.594 12.310 907 2HB LEU 96 1HB LEU 96 1.069 -5.062 11.920 908 HG LEU 96 HG LEU 96 3.631 -4.274 11.789 909 1HD1 LEU 96 1HD1 LEU 96 1.809 -3.317 13.169 910 2HD1 LEU 96 2HD1 LEU 96 2.121 -4.565 14.400 911 3HD1 LEU 96 3HD1 LEU 96 3.377 -3.366 14.010 912 1HD2 LEU 96 1HD2 LEU 96 3.648 -6.616 13.708 913 2HD2 LEU 96 2HD2 LEU 96 4.649 -6.391 12.254 914 3HD2 LEU 96 3HD2 LEU 96 4.886 -5.338 13.669 915 MD1 LEU 96 MD1 LEU 96 2.436 -3.749 13.859 916 MD2 LEU 96 MD2 LEU 96 4.394 -6.115 13.210 917 QB LEU 96 QB LEU 96 1.448 -5.828 12.115 918 QD LEU 96 QD LEU 96 3.415 -4.932 13.535 919 H ALA 97 H ALA 97 0.382 -7.544 11.188 920 HA ALA 97 HA ALA 97 -1.058 -7.507 8.633 921 1HB ALA 97 1HB ALA 97 -0.653 -9.521 10.832 922 2HB ALA 97 2HB ALA 97 -2.145 -9.590 9.863 923 3HB ALA 97 3HB ALA 97 -0.559 -9.732 9.067 924 MB ALA 97 MB ALA 97 -1.119 -9.614 9.921 925 H VAL 98 H VAL 98 -1.692 -5.226 9.546 926 HA VAL 98 HA VAL 98 -3.217 -4.801 11.729 927 HB VAL 98 HB VAL 98 -4.145 -2.935 10.571 928 1HG1 VAL 98 1HG1 VAL 98 -1.552 -3.214 10.949 929 2HG1 VAL 98 2HG1 VAL 98 -1.504 -3.203 9.170 930 3HG1 VAL 98 3HG1 VAL 98 -2.193 -1.818 10.050 931 1HG2 VAL 98 1HG2 VAL 98 -3.442 -4.443 8.040 932 2HG2 VAL 98 2HG2 VAL 98 -5.042 -3.886 8.584 933 3HG2 VAL 98 3HG2 VAL 98 -3.818 -2.704 8.063 934 MG1 VAL 98 MG1 VAL 98 -1.750 -2.745 10.056 935 MG2 VAL 98 MG2 VAL 98 -4.101 -3.678 8.229 936 QG VAL 98 QG VAL 98 -2.925 -3.211 9.143 937 HA PRO 99 HA PRO 99 -6.828 -7.126 11.224 938 1HB PRO 99 1HB PRO 99 -8.496 -5.851 12.974 939 2HB PRO 99 2HB PRO 99 -7.291 -7.020 13.477 940 1HG PRO 99 1HG PRO 99 -7.239 -4.075 13.734 941 2HG PRO 99 2HG PRO 99 -6.280 -5.269 14.587 942 1HD PRO 99 1HD PRO 99 -5.415 -3.605 12.416 943 2HD PRO 99 2HD PRO 99 -4.495 -4.879 13.192 944 QB PRO 99 QB PRO 99 -7.894 -6.436 13.225 945 QG PRO 99 QG PRO 99 -6.759 -4.672 14.161 946 QD PRO 99 QD PRO 99 -4.955 -4.242 12.804 947 HA PRO 100 HA PRO 100 -9.630 -5.351 8.571 948 1HB PRO 100 1HB PRO 100 -12.059 -6.447 9.179 949 2HB PRO 100 2HB PRO 100 -10.834 -7.288 8.250 950 1HG PRO 100 1HG PRO 100 -11.636 -7.702 11.065 951 2HG PRO 100 2HG PRO 100 -10.744 -8.779 10.008 952 1HD PRO 100 1HD PRO 100 -9.664 -7.157 12.113 953 2HD PRO 100 2HD PRO 100 -8.760 -8.143 10.981 954 QB PRO 100 QB PRO 100 -11.446 -6.867 8.715 955 QG PRO 100 QG PRO 100 -11.190 -8.240 10.537 956 QD PRO 100 QD PRO 100 -9.212 -7.650 11.547 957 HA PRO 101 HA PRO 101 -11.278 -1.848 10.335 958 1HB PRO 101 1HB PRO 101 -12.236 -0.598 8.102 959 2HB PRO 101 2HB PRO 101 -10.558 -0.515 8.600 960 1HG PRO 101 2HG PRO 101 -10.083 -1.649 6.648 961 2HG PRO 101 1HG PRO 101 -11.764 -2.079 6.399 962 1HD PRO 101 1HD PRO 101 -11.291 -4.205 7.132 963 2HD PRO 101 2HD PRO 101 -9.639 -3.742 7.489 964 QB PRO 101 QB PRO 101 -11.397 -0.557 8.351 965 QG PRO 101 QG PRO 101 -10.923 -1.864 6.524 966 QD PRO 101 QD PRO 101 -10.465 -3.973 7.311 967 H ARG 102 H ARG 102 -13.489 -0.357 9.640 968 HA ARG 102 HA ARG 102 -15.483 -2.304 10.416 969 1HB ARG 102 1HB ARG 102 -14.898 0.154 11.484 970 2HB ARG 102 2HB ARG 102 -16.147 0.623 10.347 971 1HG ARG 102 1HG ARG 102 -16.865 -1.814 11.852 972 2HG ARG 102 2HG ARG 102 -16.561 -0.449 12.908 973 1HD ARG 102 1HD ARG 102 -18.089 0.862 11.144 974 2HD ARG 102 2HD ARG 102 -18.664 -0.746 10.752 975 HE ARG 102 HE ARG 102 -18.776 -0.673 13.529 976 1HH1 ARG 102 1HH1 ARG 102 -20.120 1.350 10.950 977 2HH1 ARG 102 2HH1 ARG 102 -21.505 1.826 11.875 978 2HH2 ARG 102 HH2 ARG 102 -21.769 0.993 14.106 979 QB ARG 102 QB ARG 102 -15.523 0.388 10.915 980 QG ARG 102 QG ARG 102 -16.713 -1.132 12.380 981 QD ARG 102 QD ARG 102 -18.376 0.058 10.948 982 QH1 ARG 102 QH1 ARG 102 -20.812 1.588 11.412 983 H PHE 103 H PHE 103 -14.535 -0.024 7.864 984 HA PHE 103 HA PHE 103 -16.750 0.563 6.521 985 1HB PHE 103 2HB PHE 103 -15.294 0.479 4.524 986 2HB PHE 103 1HB PHE 103 -14.313 -0.789 5.230 987 HD1 PHE 103 HD1 PHE 103 -15.389 2.693 6.069 988 HD2 PHE 103 HD2 PHE 103 -12.257 -0.170 6.051 989 HE1 PHE 103 HE1 PHE 103 -13.806 4.420 6.971 990 HE2 PHE 103 HE2 PHE 103 -10.674 1.557 6.952 991 HZ PHE 103 HZ PHE 103 -11.467 3.831 7.402 992 QB PHE 103 QB PHE 103 -14.804 -0.155 4.877 993 QD PHE 103 QD PHE 103 -13.823 1.262 6.060 994 QE PHE 103 QE PHE 103 -12.239 2.988 6.961 995 QR PHE 103 QR PHE 103 -13.031 2.125 6.511 996 H HIS 104 H HIS 104 -17.798 -0.409 4.540 997 HA HIS 104 HA HIS 104 -18.783 -2.954 5.186 998 1HB HIS 104 1HB HIS 104 -19.253 -0.871 3.186 999 2HB HIS 104 2HB HIS 104 -19.452 -2.483 2.528 1000 HD1 HIS 104 HD1 HIS 104 -21.965 -2.682 2.416 1001 HD2 HIS 104 HD2 HIS 104 -20.618 -1.366 6.164 1002 HE1 HIS 104 HE1 HIS 104 -24.012 -2.644 3.938 1003 QB HIS 104 QB HIS 104 -19.353 -1.677 2.857 1004 H ASP 105 H ASP 105 -18.841 -4.756 3.370 1005 HA ASP 105 HA ASP 105 -16.433 -5.916 3.273 1006 1HB ASP 105 1HB ASP 105 -18.998 -6.389 2.189 1007 2HB ASP 105 2HB ASP 105 -17.938 -6.430 0.794 1008 HD2 ASP 105 HD2 ASP 105 -17.676 -7.643 4.061 1009 QB ASP 105 QB ASP 105 -18.468 -6.410 1.491 No H/Q in entry = 1009 Start of MODEL 29 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 1.907 0.964 -1.727 3 1HB LEU 7 1HB LEU 7 3.791 -1.140 -0.672 4 2HB LEU 7 2HB LEU 7 4.110 0.068 -1.901 5 HG LEU 7 HG LEU 7 3.934 0.388 1.079 6 1HD1 LEU 7 1HD1 LEU 7 5.947 0.743 -1.056 7 2HD1 LEU 7 2HD1 LEU 7 5.942 1.990 0.215 8 3HD1 LEU 7 3HD1 LEU 7 6.141 0.275 0.650 9 1HD2 LEU 7 1HD2 LEU 7 3.567 2.639 -0.918 10 2HD2 LEU 7 2HD2 LEU 7 2.359 2.042 0.245 11 3HD2 LEU 7 3HD2 LEU 7 3.842 2.833 0.830 12 MD1 LEU 7 MD1 LEU 7 6.010 1.003 -0.064 13 MD2 LEU 7 MD2 LEU 7 3.256 2.505 0.053 14 QB LEU 7 QB LEU 7 3.951 -0.536 -1.286 15 QD LEU 7 QD LEU 7 4.633 1.754 -0.005 16 H SER 8 H SER 8 2.572 -0.339 -3.766 17 HA SER 8 HA SER 8 2.101 -2.915 -4.190 18 1HB SER 8 1HB SER 8 -0.454 -1.539 -3.673 19 2HB SER 8 2HB SER 8 -0.445 -2.359 -5.221 20 HG SER 8 HG SER 8 -1.122 -3.627 -3.230 21 QB SER 8 QB SER 8 -0.450 -1.949 -4.447 22 H LEU 9 H LEU 9 0.951 -3.187 -6.641 23 HA LEU 9 HA LEU 9 2.687 -1.870 -8.342 24 1HB LEU 9 2HB LEU 9 1.629 -2.990 -10.051 25 2HB LEU 9 1HB LEU 9 0.045 -2.872 -9.311 26 HG LEU 9 HG LEU 9 0.410 -4.683 -7.892 27 1HD1 LEU 9 1HD1 LEU 9 1.223 -4.991 -10.668 28 2HD1 LEU 9 2HD1 LEU 9 1.939 -6.237 -9.618 29 3HD1 LEU 9 3HD1 LEU 9 0.173 -6.014 -9.658 30 1HD2 LEU 9 1HD2 LEU 9 3.231 -3.862 -8.046 31 2HD2 LEU 9 2HD2 LEU 9 2.309 -4.588 -6.707 32 3HD2 LEU 9 3HD2 LEU 9 2.975 -5.623 -7.994 33 MD1 LEU 9 MD1 LEU 9 1.112 -5.747 -9.982 34 MD2 LEU 9 MD2 LEU 9 2.838 -4.691 -7.582 35 QB LEU 9 QB LEU 9 0.837 -2.931 -9.681 36 QD LEU 9 QD LEU 9 1.975 -5.219 -8.782 37 H THR 10 H THR 10 -0.678 -1.081 -7.333 38 HA THR 10 HA THR 10 -1.257 0.921 -9.102 39 HB THR 10 HB THR 10 -1.871 0.521 -6.135 40 HG1 THR 10 HG1 THR 10 -3.268 -0.833 -7.184 41 1HG2 THR 10 1HG2 THR 10 -2.489 2.818 -7.891 42 2HG2 THR 10 2HG2 THR 10 -3.956 1.988 -7.321 43 3HG2 THR 10 3HG2 THR 10 -2.782 2.628 -6.146 44 MG THR 10 MG THR 10 -3.076 2.478 -7.119 45 H GLN 11 H GLN 11 0.510 1.301 -5.957 46 HA GLN 11 HA GLN 11 1.048 4.013 -6.576 47 1HB GLN 11 1HB GLN 11 1.309 2.228 -4.295 48 2HB GLN 11 2HB GLN 11 2.804 3.116 -4.517 49 1HG GLN 11 1HG GLN 11 0.027 4.384 -4.370 50 2HG GLN 11 2HG GLN 11 1.173 4.327 -3.045 51 2HE2 GLN 11 1HE2 GLN 11 3.197 5.408 -3.251 52 1HE2 GLN 11 2HE2 GLN 11 3.375 6.797 -4.270 53 QB GLN 11 QB GLN 11 2.057 2.672 -4.406 54 QG GLN 11 QG GLN 11 0.600 4.356 -3.708 55 QE GLN 11 QE GLN 11 3.286 6.103 -3.761 56 H LEU 12 H LEU 12 2.680 0.880 -6.980 57 HA LEU 12 HA LEU 12 5.285 1.659 -7.262 58 1HB LEU 12 1HB LEU 12 3.971 -0.650 -7.446 59 2HB LEU 12 2HB LEU 12 4.175 -0.348 -9.160 60 HG LEU 12 HG LEU 12 5.958 -1.758 -8.394 61 1HD1 LEU 12 1HD1 LEU 12 6.478 -0.034 -10.101 62 2HD1 LEU 12 2HD1 LEU 12 7.081 1.025 -8.804 63 3HD1 LEU 12 3HD1 LEU 12 7.890 -0.525 -9.136 64 1HD2 LEU 12 1HD2 LEU 12 5.743 -0.812 -5.974 65 2HD2 LEU 12 2HD2 LEU 12 7.312 -1.423 -6.554 66 3HD2 LEU 12 3HD2 LEU 12 7.001 0.329 -6.506 67 MD1 LEU 12 MD1 LEU 12 7.150 0.156 -9.347 68 MD2 LEU 12 MD2 LEU 12 6.685 -0.635 -6.344 69 QB LEU 12 QB LEU 12 4.073 -0.499 -8.303 70 QD LEU 12 QD LEU 12 6.918 -0.240 -7.846 71 H SER 13 H SER 13 2.577 1.881 -9.624 72 HA SER 13 HA SER 13 3.796 4.063 -10.870 73 1HB SER 13 1HB SER 13 4.359 1.381 -11.992 74 2HB SER 13 2HB SER 13 3.688 2.494 -13.167 75 HG SER 13 HG SER 13 6.092 2.503 -12.928 76 QB SER 13 QB SER 13 4.023 1.937 -12.579 77 H SER 14 H SER 14 1.402 4.125 -9.803 78 HA SER 14 HA SER 14 -0.736 4.382 -10.086 79 1HB SER 14 1HB SER 14 0.501 5.361 -12.475 80 2HB SER 14 2HB SER 14 -0.978 4.562 -12.970 81 HG SER 14 HG SER 14 -0.724 7.001 -11.876 82 QB SER 14 QB SER 14 -0.239 4.961 -12.723 83 H GLY 15 H GLY 15 0.602 1.616 -10.533 84 1HA GLY 15 1HA GLY 15 -0.270 -0.471 -10.693 85 2HA GLY 15 2HA GLY 15 -1.826 0.206 -11.131 86 QA GLY 15 QA GLY 15 -1.048 -0.132 -10.912 87 H ASN 16 H ASN 16 1.181 1.091 -12.844 88 HA ASN 16 HA ASN 16 0.129 0.654 -15.315 89 1HB ASN 16 1HB ASN 16 2.371 1.824 -14.511 90 2HB ASN 16 2HB ASN 16 3.094 0.247 -14.758 91 2HD2 ASN 16 1HD2 ASN 16 3.295 2.921 -16.130 92 1HD2 ASN 16 2HD2 ASN 16 3.079 2.600 -17.818 93 QB ASN 16 QB ASN 16 2.732 1.035 -14.634 94 QD ASN 16 QD ASN 16 3.187 2.761 -16.974 95 HA PRO 17 HA PRO 17 0.379 -3.766 -15.375 96 1HB PRO 17 1HB PRO 17 -0.826 -4.171 -17.794 97 2HB PRO 17 2HB PRO 17 -1.720 -3.972 -16.300 98 1HG PRO 17 2HG PRO 17 -2.554 -2.036 -17.237 99 2HG PRO 17 1HG PRO 17 -1.349 -2.043 -18.509 100 1HD PRO 17 1HD PRO 17 -0.211 -0.389 -17.390 101 2HD PRO 17 2HD PRO 17 -1.353 -0.465 -16.063 102 QB PRO 17 QB PRO 17 -1.273 -4.072 -17.047 103 QG PRO 17 QG PRO 17 -1.951 -2.040 -17.873 104 QD PRO 17 QD PRO 17 -0.782 -0.427 -16.727 105 H VAL 18 H VAL 18 2.201 -1.619 -16.962 106 HA VAL 18 HA VAL 18 3.294 -3.081 -19.045 107 HB VAL 18 HB VAL 18 3.594 -0.673 -18.601 108 1HG1 VAL 18 1HG1 VAL 18 4.031 -1.031 -16.103 109 2HG1 VAL 18 2HG1 VAL 18 5.703 -1.427 -16.567 110 3HG1 VAL 18 3HG1 VAL 18 5.034 0.181 -16.935 111 1HG2 VAL 18 1HG2 VAL 18 5.846 -2.530 -19.202 112 2HG2 VAL 18 2HG2 VAL 18 5.098 -1.266 -20.208 113 3HG2 VAL 18 3HG2 VAL 18 6.253 -0.819 -18.929 114 MG1 VAL 18 MG1 VAL 18 4.923 -0.759 -16.535 115 MG2 VAL 18 MG2 VAL 18 5.733 -1.539 -19.446 116 QG VAL 18 QG VAL 18 5.328 -1.149 -17.991 117 H TYR 19 H TYR 19 4.067 -3.023 -15.522 118 HA TYR 19 HA TYR 19 6.315 -4.705 -15.728 119 1HB TYR 19 1HB TYR 19 4.282 -3.781 -13.647 120 2HB TYR 19 2HB TYR 19 5.401 -5.050 -13.190 121 HD1 TYR 19 HD1 TYR 19 7.973 -4.456 -13.913 122 HD2 TYR 19 HD2 TYR 19 4.881 -1.625 -13.057 123 HE1 TYR 19 HE1 TYR 19 9.725 -2.700 -13.355 124 HE2 TYR 19 HE2 TYR 19 6.643 0.121 -12.501 125 HH TYR 19 HH TYR 19 9.494 -0.402 -11.665 126 QB TYR 19 QB TYR 19 4.841 -4.415 -13.418 127 QD TYR 19 QD TYR 19 6.427 -3.041 -13.485 128 QE TYR 19 QE TYR 19 8.184 -1.290 -12.928 129 QR TYR 19 QR TYR 19 7.305 -2.165 -13.206 130 H GLU 20 H GLU 20 2.797 -5.294 -15.416 131 HA GLU 20 HA GLU 20 2.903 -7.897 -14.578 132 1HB GLU 20 1HB GLU 20 0.941 -6.070 -15.607 133 2HB GLU 20 2HB GLU 20 0.744 -7.581 -16.472 134 1HG GLU 20 1HG GLU 20 1.175 -7.894 -13.541 135 2HG GLU 20 2HG GLU 20 -0.303 -7.054 -13.966 136 HE2 GLU 20 HE2 GLU 20 -0.494 -10.129 -13.156 137 QB GLU 20 QB GLU 20 0.843 -6.825 -16.040 138 QG GLU 20 QG GLU 20 0.436 -7.474 -13.754 139 H LYS 21 H LYS 21 3.448 -6.467 -17.798 140 HA LYS 21 HA LYS 21 3.191 -8.807 -19.299 141 1HB LYS 21 1HB LYS 21 3.398 -7.267 -20.886 142 2HB LYS 21 2HB LYS 21 3.916 -6.076 -19.710 143 1HG LYS 21 1HG LYS 21 6.249 -6.732 -19.944 144 2HG LYS 21 2HG LYS 21 5.822 -8.149 -20.882 145 1HD LYS 21 1HD LYS 21 5.556 -6.951 -22.828 146 2HD LYS 21 2HD LYS 21 4.789 -5.600 -22.016 147 1HE LYS 21 1HE LYS 21 7.034 -4.872 -21.143 148 2HE LYS 21 2HE LYS 21 7.787 -6.201 -22.001 149 QB LYS 21 QB LYS 21 3.657 -6.672 -20.298 150 QD LYS 21 QD LYS 21 5.173 -6.276 -22.422 151 QG LYS 21 QG LYS 21 6.035 -7.440 -20.413 152 QE LYS 21 QE LYS 21 7.411 -5.536 -21.572 153 QZ LYS 21 QZ LYS 21 6.561 -4.367 -23.514 154 H TYR 22 H TYR 22 5.885 -7.420 -17.385 155 HA TYR 22 HA TYR 22 7.760 -9.367 -18.326 156 1HB TYR 22 1HB TYR 22 7.595 -7.401 -15.958 157 2HB TYR 22 2HB TYR 22 9.053 -8.289 -16.355 158 HD1 TYR 22 HD1 TYR 22 8.821 -8.055 -19.408 159 HD2 TYR 22 HD2 TYR 22 8.404 -5.184 -16.264 160 HE1 TYR 22 HE1 TYR 22 9.512 -6.198 -21.002 161 HE2 TYR 22 HE2 TYR 22 9.097 -3.337 -17.868 162 HH TYR 22 HH TYR 22 10.544 -3.282 -20.030 163 QB TYR 22 QB TYR 22 8.324 -7.845 -16.156 164 QD TYR 22 QD TYR 22 8.613 -6.619 -17.836 165 QE TYR 22 QE TYR 22 9.304 -4.768 -19.435 166 QR TYR 22 QR TYR 22 8.958 -5.694 -18.636 167 H TYR 23 H TYR 23 5.725 -8.882 -15.383 168 HA TYR 23 HA TYR 23 6.776 -10.887 -13.819 169 1HB TYR 23 1HB TYR 23 4.981 -9.096 -13.335 170 2HB TYR 23 2HB TYR 23 3.846 -10.043 -14.276 171 HD1 TYR 23 HD1 TYR 23 6.372 -11.196 -11.762 172 HD2 TYR 23 HD2 TYR 23 2.231 -10.761 -12.743 173 HE1 TYR 23 HE1 TYR 23 5.734 -12.508 -9.680 174 HE2 TYR 23 HE2 TYR 23 1.606 -12.075 -10.658 175 HH TYR 23 HH TYR 23 4.100 -13.557 -8.647 176 QB TYR 23 QB TYR 23 4.413 -9.570 -13.805 177 QD TYR 23 QD TYR 23 4.301 -10.978 -12.252 178 QE TYR 23 QE TYR 23 3.670 -12.291 -10.169 179 QR TYR 23 QR TYR 23 3.986 -11.635 -11.211 180 H ARG 24 H ARG 24 4.562 -11.080 -16.617 181 HA ARG 24 HA ARG 24 3.989 -13.818 -16.058 182 1HB ARG 24 1HB ARG 24 2.458 -12.035 -17.239 183 2HB ARG 24 2HB ARG 24 3.402 -12.374 -18.675 184 1HG ARG 24 1HG ARG 24 2.460 -14.812 -17.258 185 2HG ARG 24 2HG ARG 24 1.163 -13.802 -17.865 186 1HD ARG 24 1HD ARG 24 3.315 -14.078 -19.852 187 2HD ARG 24 2HD ARG 24 2.701 -15.644 -19.359 188 HE ARG 24 HE ARG 24 1.226 -13.562 -20.823 189 1HH1 ARG 24 1HH1 ARG 24 0.957 -16.522 -18.894 190 2HH1 ARG 24 2HH1 ARG 24 -0.613 -16.926 -19.505 191 2HH2 ARG 24 HH2 ARG 24 -1.653 -15.484 -21.112 192 QB ARG 24 QB ARG 24 2.930 -12.205 -17.957 193 QG ARG 24 QG ARG 24 1.811 -14.307 -17.561 194 QD ARG 24 QD ARG 24 3.008 -14.861 -19.605 195 QH1 ARG 24 QH1 ARG 24 0.172 -16.724 -19.200 196 H GLN 25 H GLN 25 6.325 -11.905 -17.862 197 HA GLN 25 HA GLN 25 6.968 -13.748 -19.830 198 1HB GLN 25 1HB GLN 25 8.238 -11.334 -18.610 199 2HB GLN 25 2HB GLN 25 9.327 -12.419 -19.450 200 1HG GLN 25 1HG GLN 25 6.872 -12.019 -21.000 201 2HG GLN 25 2HG GLN 25 7.615 -10.479 -20.614 202 2HE2 GLN 25 1HE2 GLN 25 10.200 -10.778 -20.664 203 1HE2 GLN 25 2HE2 GLN 25 10.805 -11.362 -22.178 204 QB GLN 25 QB GLN 25 8.783 -11.876 -19.030 205 QG GLN 25 QG GLN 25 7.244 -11.249 -20.807 206 QE GLN 25 QE GLN 25 10.503 -11.070 -21.421 207 H VAL 26 H VAL 26 7.932 -13.421 -16.407 208 HA VAL 26 HA VAL 26 9.941 -15.487 -16.694 209 HB VAL 26 HB VAL 26 10.703 -14.821 -14.662 210 1HG1 VAL 26 1HG1 VAL 26 10.516 -12.844 -16.247 211 2HG1 VAL 26 2HG1 VAL 26 9.104 -12.327 -15.294 212 3HG1 VAL 26 3HG1 VAL 26 10.704 -12.447 -14.522 213 1HG2 VAL 26 1HG2 VAL 26 7.823 -14.569 -13.971 214 2HG2 VAL 26 2HG2 VAL 26 9.172 -15.276 -13.048 215 3HG2 VAL 26 3HG2 VAL 26 8.947 -13.511 -13.084 216 MG1 VAL 26 MG1 VAL 26 10.108 -12.539 -15.354 217 MG2 VAL 26 MG2 VAL 26 8.647 -14.452 -13.368 218 QG VAL 26 QG VAL 26 9.378 -13.496 -14.361 219 H GLU 27 H GLU 27 6.551 -15.084 -15.845 220 HA GLU 27 HA GLU 27 6.278 -17.309 -14.222 221 1HB GLU 27 1HB GLU 27 4.534 -15.619 -14.355 222 2HB GLU 27 2HB GLU 27 4.314 -15.894 -16.071 223 1HG GLU 27 1HG GLU 27 3.790 -18.388 -15.341 224 2HG GLU 27 2HG GLU 27 3.529 -17.688 -13.756 225 HE2 GLU 27 HE2 GLU 27 1.000 -17.496 -16.684 226 QB GLU 27 QB GLU 27 4.424 -15.757 -15.213 227 QG GLU 27 QG GLU 27 3.660 -18.038 -14.549 228 H ALA 28 H ALA 28 6.598 -19.438 -14.682 229 HA ALA 28 HA ALA 28 7.280 -20.416 -17.137 230 1HB ALA 28 3HB ALA 28 7.746 -21.720 -15.219 231 2HB ALA 28 2HB ALA 28 6.502 -22.651 -16.089 232 3HB ALA 28 1HB ALA 28 6.053 -21.676 -14.669 233 MB ALA 28 MB ALA 28 6.767 -22.016 -15.326 234 H GLY 29 H GLY 29 6.015 -22.122 -18.449 235 1HA GLY 29 1HA GLY 29 3.574 -20.881 -19.341 236 2HA GLY 29 2HA GLY 29 4.381 -22.279 -20.022 237 QA GLY 29 QA GLY 29 3.977 -21.580 -19.682 238 H ASN 30 H ASN 30 1.481 -21.860 -19.389 239 HA ASN 30 HA ASN 30 -0.186 -22.759 -18.275 240 1HB ASN 30 1HB ASN 30 0.589 -24.541 -19.944 241 2HB ASN 30 2HB ASN 30 1.455 -25.320 -18.635 242 2HD2 ASN 30 1HD2 ASN 30 -1.391 -25.170 -20.330 243 1HD2 ASN 30 2HD2 ASN 30 -2.460 -25.996 -19.247 244 QB ASN 30 QB ASN 30 1.022 -24.931 -19.289 245 QD ASN 30 QD ASN 30 -1.925 -25.583 -19.789 246 H THR 31 H THR 31 1.347 -21.622 -16.324 247 HA THR 31 HA THR 31 1.556 -23.709 -14.253 248 HB THR 31 HB THR 31 3.360 -22.151 -13.300 249 HG1 THR 31 HG1 THR 31 3.973 -20.453 -14.737 250 1HG2 THR 31 1HG2 THR 31 3.588 -24.018 -15.439 251 2HG2 THR 31 2HG2 THR 31 4.497 -22.580 -15.964 252 3HG2 THR 31 3HG2 THR 31 4.914 -23.387 -14.433 253 MG THR 31 MG THR 31 4.333 -23.328 -15.279 254 H GLY 32 H GLY 32 0.605 -20.365 -15.115 255 1HA GLY 32 1HA GLY 32 -1.195 -19.231 -14.272 256 2HA GLY 32 2HA GLY 32 -1.411 -20.452 -13.034 257 QA GLY 32 QA GLY 32 -1.303 -19.842 -13.653 258 H ARG 33 H ARG 33 1.634 -20.262 -12.421 259 HA ARG 33 HA ARG 33 1.588 -17.650 -11.161 260 1HB ARG 33 1HB ARG 33 2.598 -18.756 -9.080 261 2HB ARG 33 2HB ARG 33 0.907 -19.116 -9.365 262 1HG ARG 33 1HG ARG 33 2.596 -21.037 -10.780 263 2HG ARG 33 2HG ARG 33 3.040 -20.977 -9.086 264 1HD ARG 33 1HD ARG 33 0.959 -21.756 -8.359 265 2HD ARG 33 2HD ARG 33 0.098 -21.059 -9.717 266 HE ARG 33 HE ARG 33 0.387 -23.069 -10.861 267 1HH1 ARG 33 1HH1 ARG 33 2.908 -22.838 -8.381 268 2HH1 ARG 33 2HH1 ARG 33 3.542 -24.418 -8.703 269 2HH2 ARG 33 HH2 ARG 33 2.536 -25.761 -10.414 270 QB ARG 33 QB ARG 33 1.752 -18.936 -9.223 271 QG ARG 33 QG ARG 33 2.818 -21.007 -9.933 272 QD ARG 33 QD ARG 33 0.528 -21.407 -9.038 273 QH1 ARG 33 QH1 ARG 33 3.225 -23.628 -8.542 274 H VAL 34 H VAL 34 3.882 -17.076 -10.286 275 HA VAL 34 HA VAL 34 5.796 -17.941 -12.298 276 HB VAL 34 HB VAL 34 5.625 -15.617 -12.141 277 1HG1 VAL 34 1HG1 VAL 34 5.523 -16.058 -9.163 278 2HG1 VAL 34 2HG1 VAL 34 6.017 -14.482 -9.825 279 3HG1 VAL 34 3HG1 VAL 34 4.411 -15.145 -10.211 280 1HG2 VAL 34 1HG2 VAL 34 7.974 -16.624 -12.041 281 2HG2 VAL 34 2HG2 VAL 34 7.811 -14.912 -11.582 282 3HG2 VAL 34 3HG2 VAL 34 7.982 -16.159 -10.323 283 MG1 VAL 34 MG1 VAL 34 5.317 -15.228 -9.733 284 MG2 VAL 34 MG2 VAL 34 7.923 -15.898 -11.315 285 QG VAL 34 QG VAL 34 6.620 -15.563 -10.524 286 H LEU 35 H LEU 35 7.021 -19.693 -11.843 287 HA LEU 35 HA LEU 35 7.232 -20.811 -9.315 288 1HB LEU 35 1HB LEU 35 8.216 -21.282 -11.979 289 2HB LEU 35 2HB LEU 35 9.496 -21.563 -10.816 290 HG LEU 35 HG LEU 35 6.757 -22.810 -10.534 291 1HD1 LEU 35 1HD1 LEU 35 8.020 -23.332 -12.738 292 2HD1 LEU 35 2HD1 LEU 35 9.105 -24.285 -11.697 293 3HD1 LEU 35 3HD1 LEU 35 7.370 -24.675 -11.768 294 1HD2 LEU 35 1HD2 LEU 35 8.836 -22.634 -8.745 295 2HD2 LEU 35 2HD2 LEU 35 7.547 -23.861 -8.727 296 3HD2 LEU 35 3HD2 LEU 35 9.109 -24.222 -9.500 297 MD1 LEU 35 MD1 LEU 35 8.165 -24.097 -12.068 298 MD2 LEU 35 MD2 LEU 35 8.497 -23.572 -8.991 299 QB LEU 35 QB LEU 35 8.856 -21.422 -11.398 300 QD LEU 35 QD LEU 35 8.331 -23.835 -10.529 301 H ALA 36 H ALA 36 8.660 -17.955 -10.595 302 HA ALA 36 HA ALA 36 9.891 -16.450 -9.461 303 1HB ALA 36 3HB ALA 36 10.561 -16.768 -7.261 304 2HB ALA 36 2HB ALA 36 10.944 -18.488 -7.513 305 3HB ALA 36 1HB ALA 36 9.248 -17.964 -7.382 306 MB ALA 36 MB ALA 36 10.251 -17.740 -7.385 307 H LEU 37 H LEU 37 11.295 -19.784 -9.686 308 HA LEU 37 HA LEU 37 13.909 -19.261 -9.916 309 1HB LEU 37 1HB LEU 37 12.065 -21.272 -10.996 310 2HB LEU 37 2HB LEU 37 13.547 -21.103 -11.917 311 HG LEU 37 HG LEU 37 14.659 -21.259 -9.502 312 1HD1 LEU 37 1HD1 LEU 37 12.227 -21.392 -8.557 313 2HD1 LEU 37 2HD1 LEU 37 12.337 -23.102 -9.037 314 3HD1 LEU 37 3HD1 LEU 37 13.508 -22.425 -7.880 315 1HD2 LEU 37 1HD2 LEU 37 14.919 -22.756 -11.538 316 2HD2 LEU 37 2HD2 LEU 37 15.171 -23.518 -9.949 317 3HD2 LEU 37 3HD2 LEU 37 13.645 -23.777 -10.828 318 MD1 LEU 37 MD1 LEU 37 12.691 -22.306 -8.491 319 MD2 LEU 37 MD2 LEU 37 14.579 -23.350 -10.772 320 QB LEU 37 QB LEU 37 12.806 -21.188 -11.457 321 QD LEU 37 QD LEU 37 13.635 -22.828 -9.631 322 H ASP 38 H ASP 38 11.427 -18.792 -12.497 323 HA ASP 38 HA ASP 38 13.337 -17.949 -14.375 324 1HB ASP 38 1HB ASP 38 10.377 -18.131 -14.154 325 2HB ASP 38 2HB ASP 38 10.925 -16.826 -15.187 326 HD2 ASP 38 HD2 ASP 38 9.613 -19.350 -15.741 327 QB ASP 38 QB ASP 38 10.651 -17.479 -14.671 328 H ALA 39 H ALA 39 11.059 -16.363 -12.059 329 HA ALA 39 HA ALA 39 11.272 -13.754 -12.874 330 1HB ALA 39 3HB ALA 39 10.673 -13.219 -10.529 331 2HB ALA 39 1HB ALA 39 9.714 -14.580 -11.159 332 3HB ALA 39 2HB ALA 39 11.075 -14.886 -10.053 333 MB ALA 39 MB ALA 39 10.488 -14.228 -10.580 334 H ALA 40 H ALA 40 13.533 -15.759 -10.934 335 HA ALA 40 HA ALA 40 15.217 -13.585 -10.246 336 1HB ALA 40 2HB ALA 40 16.274 -16.376 -10.397 337 2HB ALA 40 3HB ALA 40 16.390 -15.179 -9.085 338 3HB ALA 40 1HB ALA 40 14.883 -16.097 -9.321 339 MB ALA 40 MB ALA 40 15.849 -15.884 -9.601 340 H ALA 41 H ALA 41 14.910 -15.812 -13.009 341 HA ALA 41 HA ALA 41 17.474 -15.228 -14.083 342 1HB ALA 41 1HB ALA 41 15.630 -17.175 -14.469 343 2HB ALA 41 2HB ALA 41 15.245 -16.122 -15.852 344 3HB ALA 41 3HB ALA 41 16.890 -16.777 -15.662 345 MB ALA 41 MB ALA 41 15.922 -16.691 -15.328 346 H PHE 42 H PHE 42 14.134 -13.947 -14.504 347 HA PHE 42 HA PHE 42 14.766 -12.281 -16.672 348 1HB PHE 42 1HB PHE 42 12.470 -13.030 -15.898 349 2HB PHE 42 2HB PHE 42 12.675 -12.114 -14.418 350 HD1 PHE 42 HD1 PHE 42 12.287 -11.802 -18.080 351 HD2 PHE 42 HD2 PHE 42 12.210 -9.791 -14.344 352 HE1 PHE 42 HE1 PHE 42 11.270 -9.790 -19.184 353 HE2 PHE 42 HE2 PHE 42 11.193 -7.779 -15.448 354 HZ PHE 42 HZ PHE 42 10.735 -7.803 -17.854 355 QB PHE 42 QB PHE 42 12.573 -12.572 -15.158 356 QD PHE 42 QD PHE 42 12.248 -10.797 -16.212 357 QE PHE 42 QE PHE 42 11.231 -8.785 -17.316 358 QR PHE 42 QR PHE 42 11.740 -9.791 -16.764 359 H LEU 43 H LEU 43 15.172 -11.983 -13.158 360 HA LEU 43 HA LEU 43 15.481 -9.147 -13.212 361 1HB LEU 43 1HB LEU 43 16.001 -11.285 -11.154 362 2HB LEU 43 2HB LEU 43 16.385 -9.598 -10.874 363 HG LEU 43 HG LEU 43 13.612 -10.576 -11.594 364 1HD1 LEU 43 1HD1 LEU 43 14.335 -11.605 -9.488 365 2HD1 LEU 43 2HD1 LEU 43 14.731 -9.997 -8.837 366 3HD1 LEU 43 3HD1 LEU 43 13.044 -10.407 -9.230 367 1HD2 LEU 43 1HD2 LEU 43 14.757 -7.989 -11.491 368 2HD2 LEU 43 2HD2 LEU 43 13.049 -8.436 -11.719 369 3HD2 LEU 43 3HD2 LEU 43 13.681 -8.141 -10.081 370 MD1 LEU 43 MD1 LEU 43 14.037 -10.670 -9.185 371 MD2 LEU 43 MD2 LEU 43 13.829 -8.189 -11.097 372 QB LEU 43 QB LEU 43 16.193 -10.442 -11.014 373 QD LEU 43 QD LEU 43 13.933 -9.429 -10.141 374 H LYS 44 H LYS 44 17.682 -12.013 -13.101 375 HA LYS 44 HA LYS 44 20.060 -10.667 -12.849 376 1HB LYS 44 1HB LYS 44 21.083 -12.662 -13.465 377 2HB LYS 44 2HB LYS 44 19.538 -13.187 -12.829 378 1HG LYS 44 1HG LYS 44 19.004 -14.147 -14.811 379 2HG LYS 44 2HG LYS 44 19.188 -12.613 -15.639 380 1HD LYS 44 1HD LYS 44 21.446 -13.022 -16.196 381 2HD LYS 44 2HD LYS 44 21.674 -14.163 -14.886 382 1HE LYS 44 1HE LYS 44 19.663 -15.383 -16.392 383 2HE LYS 44 2HE LYS 44 20.650 -14.628 -17.628 384 QB LYS 44 QB LYS 44 20.311 -12.925 -13.147 385 QD LYS 44 QD LYS 44 21.560 -13.592 -15.541 386 QG LYS 44 QG LYS 44 19.096 -13.380 -15.225 387 QE LYS 44 QE LYS 44 20.156 -15.005 -17.010 388 QZ LYS 44 QZ LYS 44 22.265 -16.032 -16.504 389 H LYS 45 H LYS 45 17.776 -10.650 -15.480 390 HA LYS 45 HA LYS 45 19.637 -10.023 -17.528 391 1HB LYS 45 1HB LYS 45 16.648 -9.526 -17.409 392 2HB LYS 45 2HB LYS 45 17.648 -9.506 -18.847 393 1HG LYS 45 1HG LYS 45 18.056 -11.989 -17.346 394 2HG LYS 45 2HG LYS 45 16.355 -11.754 -17.694 395 1HD LYS 45 1HD LYS 45 18.026 -11.094 -20.023 396 2HD LYS 45 2HD LYS 45 18.317 -12.732 -19.473 397 1HE LYS 45 1HE LYS 45 16.153 -13.440 -19.961 398 2HE LYS 45 2HE LYS 45 15.443 -11.873 -19.624 399 QB LYS 45 QB LYS 45 17.148 -9.516 -18.128 400 QD LYS 45 QD LYS 45 18.171 -11.913 -19.748 401 QG LYS 45 QG LYS 45 17.205 -11.872 -17.520 402 QE LYS 45 QE LYS 45 15.798 -12.656 -19.793 403 QZ LYS 45 QZ LYS 45 16.728 -12.156 -21.961 404 H SER 46 H SER 46 18.772 -8.377 -14.738 405 HA SER 46 HA SER 46 18.410 -5.803 -15.764 406 1HB SER 46 2HB SER 46 17.849 -6.683 -13.416 407 2HB SER 46 1HB SER 46 18.538 -5.074 -13.503 408 HG SER 46 HG SER 46 19.842 -7.532 -12.736 409 QB SER 46 QB SER 46 18.194 -5.879 -13.459 410 H GLY 47 H GLY 47 21.278 -7.444 -14.232 411 1HA GLY 47 1HA GLY 47 23.275 -6.913 -15.851 412 2HA GLY 47 2HA GLY 47 23.015 -5.303 -15.212 413 QA GLY 47 QA GLY 47 23.145 -6.108 -15.531 414 H LEU 48 H LEU 48 22.127 -6.150 -12.526 415 HA LEU 48 HA LEU 48 24.622 -6.263 -11.283 416 1HB LEU 48 1HB LEU 48 21.776 -6.545 -10.406 417 2HB LEU 48 2HB LEU 48 23.061 -6.940 -9.281 418 HG LEU 48 HG LEU 48 23.294 -4.322 -10.673 419 1HD1 LEU 48 1HD1 LEU 48 21.146 -4.888 -8.615 420 2HD1 LEU 48 2HD1 LEU 48 21.734 -3.259 -9.028 421 3HD1 LEU 48 3HD1 LEU 48 20.939 -4.259 -10.267 422 1HD2 LEU 48 1HD2 LEU 48 24.120 -5.588 -8.133 423 2HD2 LEU 48 2HD2 LEU 48 24.955 -4.396 -9.157 424 3HD2 LEU 48 3HD2 LEU 48 23.684 -3.865 -8.030 425 MD1 LEU 48 MD1 LEU 48 21.273 -4.135 -9.304 426 MD2 LEU 48 MD2 LEU 48 24.253 -4.616 -8.440 427 QB LEU 48 QB LEU 48 22.418 -6.743 -9.843 428 QD LEU 48 QD LEU 48 22.763 -4.376 -8.872 429 HA PRO 49 HA PRO 49 25.474 -10.487 -11.052 430 1HB PRO 49 1HB PRO 49 26.678 -10.775 -8.616 431 2HB PRO 49 2HB PRO 49 27.502 -10.131 -10.022 432 1HG PRO 49 1HG PRO 49 26.475 -8.689 -7.654 433 2HG PRO 49 2HG PRO 49 27.649 -8.155 -8.841 434 1HD PRO 49 1HD PRO 49 24.900 -7.357 -8.668 435 2HD PRO 49 2HD PRO 49 26.043 -6.914 -9.920 436 QB PRO 49 QB PRO 49 27.090 -10.453 -9.319 437 QG PRO 49 QG PRO 49 27.062 -8.422 -8.248 438 QD PRO 49 QD PRO 49 25.471 -7.135 -9.294 439 H ASP 50 H ASP 50 25.577 -12.401 -9.086 440 HA ASP 50 HA ASP 50 22.732 -12.654 -8.682 441 1HB ASP 50 1HB ASP 50 25.060 -14.596 -8.314 442 2HB ASP 50 2HB ASP 50 23.394 -15.017 -7.968 443 HD2 ASP 50 HD2 ASP 50 22.090 -14.100 -10.050 444 QB ASP 50 QB ASP 50 24.227 -14.807 -8.141 445 H LEU 51 H LEU 51 25.818 -12.155 -6.994 446 HA LEU 51 HA LEU 51 25.076 -12.985 -4.437 447 1HB LEU 51 1HB LEU 51 27.224 -12.596 -4.188 448 2HB LEU 51 2HB LEU 51 27.287 -11.758 -5.725 449 HG LEU 51 HG LEU 51 26.191 -10.074 -3.602 450 1HD1 LEU 51 1HD1 LEU 51 27.791 -11.613 -2.337 451 2HD1 LEU 51 2HD1 LEU 51 29.093 -10.821 -3.256 452 3HD1 LEU 51 3HD1 LEU 51 28.048 -9.858 -2.184 453 1HD2 LEU 51 1HD2 LEU 51 27.111 -9.496 -5.953 454 2HD2 LEU 51 2HD2 LEU 51 27.484 -8.417 -4.587 455 3HD2 LEU 51 3HD2 LEU 51 28.708 -9.571 -5.170 456 MD1 LEU 51 MD1 LEU 51 28.311 -10.764 -2.593 457 MD2 LEU 51 MD2 LEU 51 27.768 -9.161 -5.236 458 QB LEU 51 QB LEU 51 27.256 -12.177 -4.957 459 QD LEU 51 QD LEU 51 28.039 -9.963 -3.914 460 H ILE 52 H ILE 52 25.176 -9.616 -5.809 461 HA ILE 52 HA ILE 52 23.918 -8.426 -3.653 462 HB ILE 52 HB ILE 52 24.109 -7.694 -6.568 463 1HG1 ILE 52 1HG1 ILE 52 25.739 -7.233 -4.127 464 2HG1 ILE 52 2HG1 ILE 52 26.235 -7.445 -5.794 465 1HG2 ILE 52 1HG2 ILE 52 22.061 -6.714 -5.466 466 2HG2 ILE 52 2HG2 ILE 52 23.161 -5.854 -4.363 467 3HG2 ILE 52 3HG2 ILE 52 23.229 -5.538 -6.113 468 1HD1 ILE 52 1HD1 ILE 52 24.912 -4.936 -4.659 469 2HD1 ILE 52 2HD1 ILE 52 26.644 -5.121 -5.027 470 3HD1 ILE 52 3HD1 ILE 52 25.447 -5.153 -6.343 471 MG ILE 52 MG ILE 52 22.817 -6.035 -5.314 472 MD ILE 52 MD ILE 52 25.668 -5.070 -5.343 473 QG ILE 52 QG ILE 52 25.987 -7.339 -4.961 474 H LEU 53 H LEU 53 22.602 -10.147 -6.504 475 HA LEU 53 HA LEU 53 19.939 -9.350 -6.129 476 1HB LEU 53 1HB LEU 53 21.426 -11.364 -7.692 477 2HB LEU 53 2HB LEU 53 19.757 -11.772 -7.348 478 HG LEU 53 HG LEU 53 20.643 -9.184 -8.652 479 1HD1 LEU 53 1HD1 LEU 53 21.154 -11.226 -10.007 480 2HD1 LEU 53 2HD1 LEU 53 19.413 -11.594 -10.008 481 3HD1 LEU 53 3HD1 LEU 53 20.006 -10.097 -10.766 482 1HD2 LEU 53 1HD2 LEU 53 17.915 -10.409 -8.189 483 2HD2 LEU 53 2HD2 LEU 53 18.547 -8.871 -7.555 484 3HD2 LEU 53 3HD2 LEU 53 18.223 -9.050 -9.296 485 MD1 LEU 53 MD1 LEU 53 20.191 -10.972 -10.260 486 MD2 LEU 53 MD2 LEU 53 18.228 -9.443 -8.346 487 QB LEU 53 QB LEU 53 20.591 -11.568 -7.520 488 QD LEU 53 QD LEU 53 19.210 -10.208 -9.303 489 H GLY 54 H GLY 54 21.802 -12.251 -5.013 490 1HA GLY 54 1HA GLY 54 19.935 -13.755 -3.813 491 2HA GLY 54 2HA GLY 54 21.519 -13.467 -3.120 492 QA GLY 54 QA GLY 54 20.727 -13.611 -3.467 493 H LYS 55 H LYS 55 21.364 -10.711 -2.450 494 HA LYS 55 HA LYS 55 20.037 -10.860 -0.001 495 1HB LYS 55 1HB LYS 55 21.352 -8.664 -1.580 496 2HB LYS 55 2HB LYS 55 20.462 -8.276 -0.122 497 1HG LYS 55 1HG LYS 55 21.896 -10.338 0.867 498 2HG LYS 55 2HG LYS 55 22.983 -9.898 -0.436 499 1HD LYS 55 1HD LYS 55 21.900 -7.774 1.447 500 2HD LYS 55 2HD LYS 55 23.281 -8.749 1.910 501 1HE LYS 55 1HE LYS 55 23.834 -7.915 -0.749 502 2HE LYS 55 2HE LYS 55 23.154 -6.503 0.034 503 QB LYS 55 QB LYS 55 20.907 -8.470 -0.851 504 QD LYS 55 QD LYS 55 22.590 -8.261 1.679 505 QG LYS 55 QG LYS 55 22.440 -10.118 0.215 506 QE LYS 55 QE LYS 55 23.494 -7.209 -0.357 507 QZ LYS 55 QZ LYS 55 25.453 -7.028 0.703 508 H ILE 56 H ILE 56 19.142 -9.334 -3.150 509 HA ILE 56 HA ILE 56 16.829 -8.090 -2.283 510 HB ILE 56 HB ILE 56 17.643 -9.234 -4.949 511 1HG1 ILE 56 1HG1 ILE 56 17.635 -6.419 -3.822 512 2HG1 ILE 56 2HG1 ILE 56 19.044 -7.415 -4.130 513 1HG2 ILE 56 1HG2 ILE 56 15.086 -8.990 -4.488 514 2HG2 ILE 56 2HG2 ILE 56 15.413 -7.248 -4.652 515 3HG2 ILE 56 3HG2 ILE 56 15.786 -8.354 -5.996 516 1HD1 ILE 56 1HD1 ILE 56 17.122 -6.935 -6.406 517 2HD1 ILE 56 2HD1 ILE 56 18.222 -5.622 -5.923 518 3HD1 ILE 56 3HD1 ILE 56 18.884 -7.188 -6.449 519 MG ILE 56 MG ILE 56 15.428 -8.197 -5.045 520 MD ILE 56 MD ILE 56 18.076 -6.582 -6.259 521 QG ILE 56 QG ILE 56 18.339 -6.917 -3.976 522 H TRP 57 H TRP 57 17.227 -11.381 -3.773 523 HA TRP 57 HA TRP 57 14.580 -12.136 -3.570 524 1HB TRP 57 1HB TRP 57 16.539 -13.258 -4.770 525 2HB TRP 57 2HB TRP 57 16.913 -14.013 -3.234 526 HD1 TRP 57 HD1 TRP 57 14.970 -15.765 -2.258 527 HE1 TRP 57 HE1 TRP 57 13.192 -17.305 -3.453 528 HE3 TRP 57 HE3 TRP 57 15.089 -13.335 -6.723 529 HZ2 TRP 57 HZ2 TRP 57 12.060 -17.334 -6.073 530 HZ3 TRP 57 HZ3 TRP 57 13.617 -14.183 -8.547 531 HH2 TRP 57 HH2 TRP 57 12.138 -16.111 -8.277 532 QB TRP 57 QB TRP 57 16.726 -13.635 -4.002 533 H ASP 58 H ASP 58 17.344 -12.762 -1.282 534 HA ASP 58 HA ASP 58 16.011 -14.069 0.637 535 1HB ASP 58 1HB ASP 58 18.507 -12.959 0.391 536 2HB ASP 58 2HB ASP 58 17.829 -11.894 1.606 537 HD2 ASP 58 HD2 ASP 58 17.734 -12.679 3.634 538 QB ASP 58 QB ASP 58 18.168 -12.426 0.999 539 H LEU 59 H LEU 59 15.871 -10.626 -0.248 540 HA LEU 59 HA LEU 59 14.433 -9.930 2.172 541 1HB LEU 59 1HB LEU 59 16.102 -8.396 1.388 542 2HB LEU 59 2HB LEU 59 15.385 -8.340 -0.210 543 HG LEU 59 HG LEU 59 15.001 -6.379 1.442 544 1HD1 LEU 59 1HD1 LEU 59 13.728 -7.186 -0.803 545 2HD1 LEU 59 2HD1 LEU 59 12.373 -7.188 0.351 546 3HD1 LEU 59 3HD1 LEU 59 13.324 -5.705 0.098 547 1HD2 LEU 59 1HD2 LEU 59 14.118 -8.237 3.152 548 2HD2 LEU 59 2HD2 LEU 59 13.532 -6.556 3.161 549 3HD2 LEU 59 3HD2 LEU 59 12.574 -7.828 2.366 550 MD1 LEU 59 MD1 LEU 59 13.142 -6.693 -0.118 551 MD2 LEU 59 MD2 LEU 59 13.408 -7.540 2.893 552 QB LEU 59 QB LEU 59 15.743 -8.368 0.589 553 QD LEU 59 QD LEU 59 13.275 -7.117 1.387 554 H ALA 60 H ALA 60 13.886 -10.789 -1.218 555 HA ALA 60 HA ALA 60 11.250 -9.744 -1.343 556 1HB ALA 60 2HB ALA 60 12.493 -11.974 -2.995 557 2HB ALA 60 1HB ALA 60 12.809 -10.245 -3.280 558 3HB ALA 60 3HB ALA 60 11.159 -10.889 -3.458 559 MB ALA 60 MB ALA 60 12.154 -11.036 -3.244 560 H ASP 61 H ASP 61 12.555 -13.132 -1.067 561 HA ASP 61 HA ASP 61 10.340 -14.518 -0.834 562 1HB ASP 61 1HB ASP 61 12.684 -15.381 -0.533 563 2HB ASP 61 2HB ASP 61 12.699 -14.736 1.097 564 HD2 ASP 61 HD2 ASP 61 11.209 -17.519 2.405 565 QB ASP 61 QB ASP 61 12.691 -15.058 0.282 566 H THR 62 H THR 62 8.524 -14.532 0.521 567 HA THR 62 HA THR 62 8.710 -13.924 3.291 568 HB THR 62 HB THR 62 7.716 -11.822 1.324 569 HG1 THR 62 HG1 THR 62 9.349 -12.068 3.747 570 1HG2 THR 62 1HG2 THR 62 6.866 -12.319 4.207 571 2HG2 THR 62 2HG2 THR 62 6.972 -10.662 3.564 572 3HG2 THR 62 3HG2 THR 62 5.854 -11.835 2.825 573 MG THR 62 MG THR 62 6.564 -11.605 3.532 574 H ASP 63 H ASP 63 6.636 -14.188 0.357 575 HA ASP 63 HA ASP 63 4.277 -14.719 1.486 576 1HB ASP 63 1HB ASP 63 4.789 -14.686 -0.973 577 2HB ASP 63 2HB ASP 63 5.543 -16.261 -0.828 578 HD2 ASP 63 HD2 ASP 63 3.404 -17.962 0.187 579 QB ASP 63 QB ASP 63 5.166 -15.474 -0.900 580 H GLY 64 H GLY 64 7.123 -16.905 1.102 581 1HA GLY 64 1HA GLY 64 7.542 -18.501 2.854 582 2HA GLY 64 2HA GLY 64 5.821 -18.822 2.938 583 QA GLY 64 QA GLY 64 6.682 -18.661 2.896 584 H LYS 65 H LYS 65 6.868 -18.279 -0.308 585 HA LYS 65 HA LYS 65 7.568 -21.052 -0.761 586 1HB LYS 65 1HB LYS 65 4.887 -20.204 -1.029 587 2HB LYS 65 2HB LYS 65 5.513 -20.324 -2.661 588 1HG LYS 65 1HG LYS 65 6.296 -22.632 -2.236 589 2HG LYS 65 2HG LYS 65 5.809 -22.519 -0.557 590 1HD LYS 65 1HD LYS 65 3.692 -23.134 -1.082 591 2HD LYS 65 2HD LYS 65 3.541 -21.790 -2.197 592 1HE LYS 65 1HE LYS 65 4.596 -23.118 -4.002 593 2HE LYS 65 2HE LYS 65 4.883 -24.446 -2.895 594 QB LYS 65 QB LYS 65 5.200 -20.264 -1.845 595 QD LYS 65 QD LYS 65 3.616 -22.462 -1.640 596 QG LYS 65 QG LYS 65 6.052 -22.575 -1.396 597 QE LYS 65 QE LYS 65 4.739 -23.782 -3.448 598 QZ LYS 65 QZ LYS 65 2.313 -23.910 -3.278 599 H GLY 66 H GLY 66 8.822 -21.333 -2.632 600 1HA GLY 66 1HA GLY 66 10.453 -19.351 -3.478 601 2HA GLY 66 2HA GLY 66 10.019 -20.740 -4.454 602 QA GLY 66 QA GLY 66 10.236 -20.046 -3.966 603 H VAL 67 H VAL 67 7.319 -20.336 -5.037 604 HA VAL 67 HA VAL 67 7.356 -18.716 -7.206 605 HB VAL 67 HB VAL 67 4.980 -19.245 -5.412 606 1HG1 VAL 67 1HG1 VAL 67 5.035 -17.627 -7.584 607 2HG1 VAL 67 2HG1 VAL 67 4.709 -19.192 -8.367 608 3HG1 VAL 67 3HG1 VAL 67 3.616 -18.586 -7.099 609 1HG2 VAL 67 1HG2 VAL 67 6.683 -21.109 -6.708 610 2HG2 VAL 67 2HG2 VAL 67 5.126 -21.415 -5.901 611 3HG2 VAL 67 3HG2 VAL 67 5.170 -21.049 -7.643 612 MG1 VAL 67 MG1 VAL 67 4.453 -18.468 -7.683 613 MG2 VAL 67 MG2 VAL 67 5.660 -21.191 -6.751 614 QG VAL 67 QG VAL 67 5.056 -19.830 -7.217 615 H LEU 68 H LEU 68 6.679 -16.563 -7.702 616 HA LEU 68 HA LEU 68 6.928 -14.784 -5.391 617 1HB LEU 68 1HB LEU 68 7.247 -14.146 -8.324 618 2HB LEU 68 2HB LEU 68 7.593 -13.088 -6.970 619 HG LEU 68 HG LEU 68 9.105 -15.549 -7.851 620 1HD1 LEU 68 1HD1 LEU 68 9.526 -13.281 -8.900 621 2HD1 LEU 68 2HD1 LEU 68 10.141 -12.761 -7.312 622 3HD1 LEU 68 3HD1 LEU 68 10.938 -14.093 -8.182 623 1HD2 LEU 68 1HD2 LEU 68 9.395 -14.056 -5.230 624 2HD2 LEU 68 2HD2 LEU 68 8.905 -15.753 -5.454 625 3HD2 LEU 68 3HD2 LEU 68 10.559 -15.241 -5.869 626 MD1 LEU 68 MD1 LEU 68 10.202 -13.379 -8.132 627 MD2 LEU 68 MD2 LEU 68 9.620 -15.017 -5.518 628 QB LEU 68 QB LEU 68 7.420 -13.617 -7.647 629 QD LEU 68 QD LEU 68 9.911 -14.198 -6.825 630 H SER 69 H SER 69 5.651 -12.588 -5.834 631 HA SER 69 HA SER 69 3.015 -13.353 -6.814 632 1HB SER 69 1HB SER 69 3.459 -11.540 -4.411 633 2HB SER 69 2HB SER 69 1.947 -12.239 -4.956 634 HG SER 69 HG SER 69 2.661 -14.317 -4.324 635 QB SER 69 QB SER 69 2.703 -11.889 -4.683 636 H LYS 70 H LYS 70 1.934 -10.658 -6.096 637 HA LYS 70 HA LYS 70 2.869 -9.289 -8.428 638 1HB LYS 70 1HB LYS 70 0.756 -8.686 -6.347 639 2HB LYS 70 2HB LYS 70 1.132 -7.591 -7.662 640 1HG LYS 70 1HG LYS 70 -0.140 -8.813 -9.083 641 2HG LYS 70 2HG LYS 70 0.853 -10.228 -8.791 642 1HD LYS 70 1HD LYS 70 -1.025 -11.136 -7.867 643 2HD LYS 70 2HD LYS 70 -0.650 -10.149 -6.469 644 1HE LYS 70 1HE LYS 70 -1.970 -8.292 -7.980 645 2HE LYS 70 2HE LYS 70 -2.749 -9.745 -8.571 646 QB LYS 70 QB LYS 70 0.944 -8.138 -7.005 647 QD LYS 70 QD LYS 70 -0.838 -10.643 -7.168 648 QG LYS 70 QG LYS 70 0.356 -9.521 -8.937 649 QE LYS 70 QE LYS 70 -2.360 -9.018 -8.276 650 QZ LYS 70 QZ LYS 70 -3.236 -9.865 -6.211 651 H GLN 71 H GLN 71 2.210 -7.648 -5.311 652 HA GLN 71 HA GLN 71 3.958 -5.692 -5.535 653 1HB GLN 71 1HB GLN 71 2.455 -6.822 -3.442 654 2HB GLN 71 2HB GLN 71 4.086 -6.767 -2.803 655 1HG GLN 71 1HG GLN 71 3.572 -4.285 -4.206 656 2HG GLN 71 2HG GLN 71 2.232 -4.592 -3.118 657 2HE2 GLN 71 1HE2 GLN 71 2.674 -3.078 -1.621 658 1HE2 GLN 71 2HE2 GLN 71 4.062 -3.072 -0.585 659 QB GLN 71 QB GLN 71 3.270 -6.795 -3.122 660 QG GLN 71 QG GLN 71 2.902 -4.438 -3.662 661 QE GLN 71 QE GLN 71 3.368 -3.075 -1.103 662 H GLU 72 H GLU 72 4.761 -8.936 -4.107 663 HA GLU 72 HA GLU 72 7.302 -8.532 -3.406 664 1HB GLU 72 1HB GLU 72 5.813 -10.886 -4.523 665 2HB GLU 72 2HB GLU 72 7.557 -11.032 -4.418 666 1HG GLU 72 1HG GLU 72 7.111 -10.021 -1.948 667 2HG GLU 72 2HG GLU 72 5.536 -10.744 -2.205 668 HE2 GLU 72 HE2 GLU 72 6.584 -13.950 -2.361 669 QB GLU 72 QB GLU 72 6.685 -10.959 -4.471 670 QG GLU 72 QG GLU 72 6.323 -10.382 -2.077 671 H PHE 73 H PHE 73 6.584 -10.113 -6.600 672 HA PHE 73 HA PHE 73 9.051 -9.701 -7.694 673 1HB PHE 73 1HB PHE 73 7.358 -11.144 -8.718 674 2HB PHE 73 2HB PHE 73 6.192 -9.838 -8.787 675 HD1 PHE 73 HD1 PHE 73 9.282 -11.162 -10.301 676 HD2 PHE 73 HD2 PHE 73 6.137 -8.333 -10.633 677 HE1 PHE 73 HE1 PHE 73 9.976 -10.668 -12.663 678 HE2 PHE 73 HE2 PHE 73 6.831 -7.839 -12.994 679 HZ PHE 73 HZ PHE 73 8.742 -9.012 -13.981 680 QB PHE 73 QB PHE 73 6.775 -10.491 -8.752 681 QD PHE 73 QD PHE 73 7.710 -9.748 -10.467 682 QE PHE 73 QE PHE 73 8.403 -9.254 -12.829 683 QR PHE 73 QR PHE 73 8.057 -9.501 -11.648 684 H PHE 74 H PHE 74 6.316 -7.434 -7.382 685 HA PHE 74 HA PHE 74 7.448 -5.560 -9.227 686 1HB PHE 74 1HB PHE 74 5.073 -5.933 -7.430 687 2HB PHE 74 2HB PHE 74 5.557 -4.259 -7.610 688 HD1 PHE 74 HD1 PHE 74 4.657 -7.276 -9.587 689 HD2 PHE 74 HD2 PHE 74 4.901 -3.040 -9.492 690 HE1 PHE 74 HE1 PHE 74 3.430 -7.156 -11.773 691 HE2 PHE 74 HE2 PHE 74 3.674 -2.921 -11.678 692 HZ PHE 74 HZ PHE 74 2.953 -4.980 -12.793 693 QB PHE 74 QB PHE 74 5.315 -5.096 -7.520 694 QD PHE 74 QD PHE 74 4.779 -5.158 -9.539 695 QE PHE 74 QE PHE 74 3.552 -5.039 -11.726 696 QR PHE 74 QR PHE 74 4.166 -5.098 -10.633 697 H VAL 75 H VAL 75 8.421 -6.553 -6.200 698 HA VAL 75 HA VAL 75 9.160 -3.843 -5.361 699 HB VAL 75 HB VAL 75 8.454 -6.351 -3.997 700 1HG1 VAL 75 1HG1 VAL 75 10.756 -4.654 -2.976 701 2HG1 VAL 75 2HG1 VAL 75 9.881 -5.871 -2.017 702 3HG1 VAL 75 3HG1 VAL 75 10.816 -6.369 -3.447 703 1HG2 VAL 75 1HG2 VAL 75 7.360 -3.942 -4.021 704 2HG2 VAL 75 2HG2 VAL 75 7.324 -4.955 -2.558 705 3HG2 VAL 75 3HG2 VAL 75 8.522 -3.647 -2.705 706 MG1 VAL 75 MG1 VAL 75 10.484 -5.632 -2.814 707 MG2 VAL 75 MG2 VAL 75 7.735 -4.181 -3.095 708 QG VAL 75 QG VAL 75 9.110 -4.906 -2.954 709 H ALA 76 H ALA 76 10.492 -7.216 -5.635 710 HA ALA 76 HA ALA 76 13.143 -6.514 -5.254 711 1HB ALA 76 2HB ALA 76 12.398 -8.717 -7.154 712 2HB ALA 76 3HB ALA 76 13.570 -8.716 -5.814 713 3HB ALA 76 1HB ALA 76 11.827 -8.822 -5.471 714 MB ALA 76 MB ALA 76 12.598 -8.752 -6.146 715 H LEU 77 H LEU 77 11.009 -6.245 -8.089 716 HA LEU 77 HA LEU 77 12.917 -6.021 -10.072 717 1HB LEU 77 1HB LEU 77 10.127 -5.673 -9.764 718 2HB LEU 77 2HB LEU 77 10.732 -4.217 -10.530 719 HG LEU 77 HG LEU 77 10.955 -7.063 -11.524 720 1HD1 LEU 77 1HD1 LEU 77 8.875 -5.490 -11.844 721 2HD1 LEU 77 2HD1 LEU 77 9.890 -4.755 -13.108 722 3HD1 LEU 77 3HD1 LEU 77 9.482 -6.486 -13.188 723 1HD2 LEU 77 1HD2 LEU 77 12.826 -4.926 -11.936 724 2HD2 LEU 77 2HD2 LEU 77 12.842 -6.584 -12.584 725 3HD2 LEU 77 3HD2 LEU 77 11.995 -5.291 -13.467 726 MD1 LEU 77 MD1 LEU 77 9.416 -5.577 -12.713 727 MD2 LEU 77 MD2 LEU 77 12.554 -5.600 -12.662 728 QB LEU 77 QB LEU 77 10.430 -4.945 -10.147 729 QD LEU 77 QD LEU 77 10.985 -5.589 -12.688 730 H ARG 78 H ARG 78 11.171 -3.190 -8.613 731 HA ARG 78 HA ARG 78 12.952 -1.351 -9.535 732 1HB ARG 78 1HB ARG 78 11.009 -1.414 -7.210 733 2HB ARG 78 2HB ARG 78 12.069 -0.029 -7.379 734 1HG ARG 78 2HG ARG 78 9.987 0.461 -8.546 735 2HG ARG 78 1HG ARG 78 10.050 -1.056 -9.422 736 1HD ARG 78 1HD ARG 78 10.956 1.317 -10.446 737 2HD ARG 78 2HD ARG 78 12.443 0.723 -9.735 738 HE ARG 78 HE ARG 78 11.648 -1.498 -11.056 739 1HH1 ARG 78 1HH1 ARG 78 11.671 1.875 -12.140 740 2HH1 ARG 78 2HH1 ARG 78 11.892 1.467 -13.809 741 2HH2 ARG 78 HH2 ARG 78 12.047 -0.840 -14.443 742 QB ARG 78 QB ARG 78 11.539 -0.722 -7.294 743 QG ARG 78 QG ARG 78 10.018 -0.298 -8.984 744 QD ARG 78 QD ARG 78 11.699 1.020 -10.091 745 QH1 ARG 78 QH1 ARG 78 11.782 1.671 -12.974 746 H LEU 79 H LEU 79 13.066 -3.448 -6.653 747 HA LEU 79 HA LEU 79 14.889 -2.136 -5.093 748 1HB LEU 79 1HB LEU 79 13.565 -4.372 -4.822 749 2HB LEU 79 2HB LEU 79 15.018 -5.105 -5.471 750 HG LEU 79 HG LEU 79 14.833 -3.418 -2.960 751 1HD1 LEU 79 1HD1 LEU 79 14.181 -6.095 -3.342 752 2HD1 LEU 79 2HD1 LEU 79 15.828 -6.136 -2.669 753 3HD1 LEU 79 3HD1 LEU 79 14.530 -5.289 -1.794 754 1HD2 LEU 79 1HD2 LEU 79 17.123 -4.183 -4.615 755 2HD2 LEU 79 2HD2 LEU 79 16.989 -2.968 -3.321 756 3HD2 LEU 79 3HD2 LEU 79 17.283 -4.675 -2.912 757 MD1 LEU 79 MD1 LEU 79 14.847 -5.840 -2.602 758 MD2 LEU 79 MD2 LEU 79 17.132 -3.942 -3.616 759 QB LEU 79 QB LEU 79 14.292 -4.739 -5.146 760 QD LEU 79 QD LEU 79 15.989 -4.891 -3.109 761 H VAL 80 H VAL 80 15.498 -4.343 -7.897 762 HA VAL 80 HA VAL 80 18.236 -4.395 -7.763 763 HB VAL 80 HB VAL 80 16.356 -4.401 -10.128 764 1HG1 VAL 80 1HG1 VAL 80 18.991 -3.888 -10.397 765 2HG1 VAL 80 2HG1 VAL 80 19.038 -5.667 -10.352 766 3HG1 VAL 80 3HG1 VAL 80 18.053 -4.833 -11.578 767 1HG2 VAL 80 1HG2 VAL 80 17.504 -6.521 -8.322 768 2HG2 VAL 80 2HG2 VAL 80 15.824 -6.276 -8.856 769 3HG2 VAL 80 3HG2 VAL 80 17.034 -6.915 -9.993 770 MG1 VAL 80 MG1 VAL 80 18.694 -4.796 -10.776 771 MG2 VAL 80 MG2 VAL 80 16.788 -6.571 -9.057 772 QG VAL 80 QG VAL 80 17.741 -5.684 -9.917 773 H ALA 81 H ALA 81 16.054 -1.915 -9.214 774 HA ALA 81 HA ALA 81 18.017 -0.368 -10.409 775 1HB ALA 81 1HB ALA 81 15.365 -0.307 -10.399 776 2HB ALA 81 2HB ALA 81 15.615 0.885 -9.101 777 3HB ALA 81 3HB ALA 81 16.307 1.169 -10.716 778 MB ALA 81 MB ALA 81 15.762 0.582 -10.072 779 H CYS 82 H CYS 82 17.376 -1.015 -7.057 780 HA CYS 82 HA CYS 82 18.348 1.447 -6.049 781 1HB CYS 82 1HB CYS 82 16.873 -0.461 -4.930 782 2HB CYS 82 2HB CYS 82 18.436 -1.073 -4.425 783 HG CYS 82 HG CYS 82 18.640 0.540 -2.773 784 QB CYS 82 QB CYS 82 17.654 -0.767 -4.678 785 H ALA 83 H ALA 83 19.711 -1.926 -5.806 786 HA ALA 83 HA ALA 83 22.265 -1.176 -5.127 787 1HB ALA 83 2HB ALA 83 21.868 -3.561 -6.896 788 2HB ALA 83 1HB ALA 83 20.961 -3.508 -5.365 789 3HB ALA 83 3HB ALA 83 22.739 -3.419 -5.350 790 MB ALA 83 MB ALA 83 21.856 -3.496 -5.870 791 H GLN 84 H GLN 84 20.576 -0.860 -8.170 792 HA GLN 84 HA GLN 84 22.750 -0.987 -9.881 793 1HB GLN 84 1HB GLN 84 20.032 0.342 -10.010 794 2HB GLN 84 2HB GLN 84 21.188 0.598 -11.301 795 1HG GLN 84 1HG GLN 84 21.053 -2.241 -10.597 796 2HG GLN 84 2HG GLN 84 19.455 -1.627 -10.969 797 2HE2 GLN 84 1HE2 GLN 84 20.416 -3.465 -12.599 798 1HE2 GLN 84 2HE2 GLN 84 20.906 -2.821 -14.130 799 QB GLN 84 QB GLN 84 20.610 0.470 -10.655 800 QG GLN 84 QG GLN 84 20.254 -1.934 -10.783 801 QE GLN 84 QE GLN 84 20.661 -3.143 -13.365 802 H ASN 85 H ASN 85 21.692 1.453 -7.581 803 HA ASN 85 HA ASN 85 23.414 3.415 -8.833 804 1HB ASN 85 1HB ASN 85 21.173 4.192 -8.115 805 2HB ASN 85 2HB ASN 85 21.449 3.596 -6.490 806 2HD2 ASN 85 1HD2 ASN 85 22.491 5.910 -8.927 807 1HD2 ASN 85 2HD2 ASN 85 23.179 7.088 -7.860 808 QB ASN 85 QB ASN 85 21.311 3.894 -7.303 809 QD ASN 85 QD ASN 85 22.835 6.499 -8.394 810 H GLY 86 H GLY 86 23.421 0.921 -6.485 811 1HA GLY 86 1HA GLY 86 25.361 0.306 -5.331 812 2HA GLY 86 2HA GLY 86 25.876 1.980 -5.274 813 QA GLY 86 QA GLY 86 25.619 1.143 -5.303 814 H LEU 87 H LEU 87 22.496 1.650 -4.639 815 HA LEU 87 HA LEU 87 22.917 2.416 -1.912 816 1HB LEU 87 1HB LEU 87 20.431 1.941 -3.558 817 2HB LEU 87 2HB LEU 87 20.416 2.481 -1.891 818 HG LEU 87 HG LEU 87 21.806 3.996 -4.113 819 1HD1 LEU 87 1HD1 LEU 87 19.300 3.691 -4.438 820 2HD1 LEU 87 2HD1 LEU 87 19.095 4.680 -2.972 821 3HD1 LEU 87 3HD1 LEU 87 19.910 5.363 -4.400 822 1HD2 LEU 87 1HD2 LEU 87 21.754 4.273 -1.257 823 2HD2 LEU 87 2HD2 LEU 87 22.628 5.238 -2.471 824 3HD2 LEU 87 3HD2 LEU 87 20.969 5.684 -2.006 825 MD1 LEU 87 MD1 LEU 87 19.435 4.578 -3.936 826 MD2 LEU 87 MD2 LEU 87 21.784 5.065 -1.911 827 QB LEU 87 QB LEU 87 20.424 2.211 -2.725 828 QD LEU 87 QD LEU 87 20.609 4.822 -2.924 829 H GLU 88 H GLU 88 21.153 1.249 -0.317 830 HA GLU 88 HA GLU 88 22.287 -1.198 0.215 831 1HB GLU 88 1HB GLU 88 20.652 0.532 1.562 832 2HB GLU 88 2HB GLU 88 19.503 -0.740 1.197 833 1HG GLU 88 1HG GLU 88 20.867 -2.417 2.304 834 2HG GLU 88 2HG GLU 88 22.230 -1.323 2.429 835 HE2 GLU 88 HE2 GLU 88 22.390 -0.936 4.470 836 QB GLU 88 QB GLU 88 20.077 -0.104 1.380 837 QG GLU 88 QG GLU 88 21.548 -1.870 2.366 838 H VAL 89 H VAL 89 20.952 -3.334 0.453 839 HA VAL 89 HA VAL 89 19.513 -3.714 -2.076 840 HB VAL 89 HB VAL 89 20.852 -5.810 -0.367 841 1HG1 VAL 89 1HG1 VAL 89 19.172 -5.909 -2.674 842 2HG1 VAL 89 2HG1 VAL 89 20.808 -6.416 -3.160 843 3HG1 VAL 89 3HG1 VAL 89 19.978 -7.250 -1.824 844 1HG2 VAL 89 1HG2 VAL 89 22.026 -3.863 -2.276 845 2HG2 VAL 89 2HG2 VAL 89 22.773 -4.737 -0.917 846 3HG2 VAL 89 3HG2 VAL 89 22.531 -5.558 -2.477 847 MG1 VAL 89 MG1 VAL 89 19.986 -6.525 -2.553 848 MG2 VAL 89 MG2 VAL 89 22.443 -4.720 -1.890 849 QG VAL 89 QG VAL 89 21.215 -5.622 -2.221 850 H SER 90 H SER 90 19.126 -3.346 1.285 851 HA SER 90 HA SER 90 16.884 -5.164 1.380 852 1HB SER 90 2HB SER 90 16.886 -4.799 3.761 853 2HB SER 90 1HB SER 90 17.851 -3.343 3.615 854 HG SER 90 HG SER 90 19.643 -4.517 3.622 855 QB SER 90 QB SER 90 17.368 -4.071 3.688 856 H LEU 91 H LEU 91 14.705 -4.464 1.660 857 HA LEU 91 HA LEU 91 13.968 -2.129 0.414 858 1HB LEU 91 1HB LEU 91 12.695 -4.241 1.986 859 2HB LEU 91 2HB LEU 91 11.877 -2.697 2.121 860 HG LEU 91 HG LEU 91 12.566 -3.975 -0.535 861 1HD1 LEU 91 1HD1 LEU 91 10.671 -4.895 1.349 862 2HD1 LEU 91 2HD1 LEU 91 9.758 -4.075 0.060 863 3HD1 LEU 91 3HD1 LEU 91 10.877 -5.398 -0.346 864 1HD2 LEU 91 1HD2 LEU 91 11.507 -1.412 0.236 865 2HD2 LEU 91 2HD2 LEU 91 11.926 -2.028 -1.380 866 3HD2 LEU 91 3HD2 LEU 91 10.300 -2.310 -0.715 867 MD1 LEU 91 MD1 LEU 91 10.435 -4.789 0.354 868 MD2 LEU 91 MD2 LEU 91 11.244 -1.917 -0.620 869 QB LEU 91 QB LEU 91 12.286 -3.469 2.054 870 QD LEU 91 QD LEU 91 10.840 -3.353 -0.133 871 H SER 92 H SER 92 15.155 -2.665 3.671 872 HA SER 92 HA SER 92 13.997 -0.601 5.007 873 1HB SER 92 1HB SER 92 16.582 -2.093 5.205 874 2HB SER 92 2HB SER 92 16.510 -0.574 6.077 875 HG SER 92 HG SER 92 14.202 -2.083 6.446 876 QB SER 92 QB SER 92 16.546 -1.333 5.641 877 H SER 93 H SER 93 16.212 -0.521 2.316 878 HA SER 93 HA SER 93 16.591 2.332 2.796 879 1HB SER 93 1HB SER 93 18.588 0.399 2.548 880 2HB SER 93 2HB SER 93 18.499 1.062 0.928 881 HG SER 93 HG SER 93 19.376 2.903 1.605 882 QB SER 93 QB SER 93 18.544 0.731 1.738 883 H LEU 94 H LEU 94 14.302 1.021 1.495 884 HA LEU 94 HA LEU 94 14.773 1.827 -1.290 885 1HB LEU 94 1HB LEU 94 13.198 -0.359 -0.031 886 2HB LEU 94 2HB LEU 94 12.511 0.410 -1.449 887 HG LEU 94 HG LEU 94 13.755 -1.595 -2.047 888 1HD1 LEU 94 1HD1 LEU 94 14.308 1.053 -3.106 889 2HD1 LEU 94 2HD1 LEU 94 15.657 -0.072 -3.398 890 3HD1 LEU 94 3HD1 LEU 94 14.017 -0.484 -3.955 891 1HD2 LEU 94 1HD2 LEU 94 15.713 -0.515 -0.203 892 2HD2 LEU 94 2HD2 LEU 94 15.550 -2.159 -0.867 893 3HD2 LEU 94 3HD2 LEU 94 16.452 -0.919 -1.772 894 MD1 LEU 94 MD1 LEU 94 14.661 0.166 -3.486 895 MD2 LEU 94 MD2 LEU 94 15.905 -1.198 -0.947 896 QB LEU 94 QB LEU 94 12.855 0.026 -0.740 897 QD LEU 94 QD LEU 94 15.283 -0.516 -2.217 898 H SER 95 H SER 95 12.270 2.309 -2.208 899 HA SER 95 HA SER 95 10.575 3.677 -2.196 900 1HB SER 95 2HB SER 95 10.332 2.778 0.280 901 2HB SER 95 1HB SER 95 9.375 4.144 -0.258 902 HG SER 95 HG SER 95 10.887 5.582 0.741 903 QB SER 95 QB SER 95 9.854 3.461 0.011 904 H LEU 96 H LEU 96 13.447 4.462 -2.531 905 HA LEU 96 HA LEU 96 13.246 7.290 -1.767 906 1HB LEU 96 2HB LEU 96 15.438 7.334 -1.329 907 2HB LEU 96 1HB LEU 96 15.848 6.271 -2.660 908 HG LEU 96 HG LEU 96 14.910 4.365 -1.193 909 1HD1 LEU 96 1HD1 LEU 96 17.500 5.825 -0.872 910 2HD1 LEU 96 2HD1 LEU 96 17.133 4.472 0.225 911 3HD1 LEU 96 3HD1 LEU 96 17.167 4.207 -1.535 912 1HD2 LEU 96 1HD2 LEU 96 15.240 6.528 0.902 913 2HD2 LEU 96 2HD2 LEU 96 13.750 5.655 0.472 914 3HD2 LEU 96 3HD2 LEU 96 15.096 4.789 1.252 915 MD1 LEU 96 MD1 LEU 96 17.266 4.834 -0.727 916 MD2 LEU 96 MD2 LEU 96 14.696 5.657 0.875 917 QB LEU 96 QB LEU 96 15.643 6.803 -1.994 918 QD LEU 96 QD LEU 96 15.981 5.246 0.074 919 H ALA 97 H ALA 97 15.184 8.279 -3.589 920 HA ALA 97 HA ALA 97 13.621 8.058 -6.046 921 1HB ALA 97 1HB ALA 97 15.148 10.156 -4.640 922 2HB ALA 97 3HB ALA 97 13.793 10.302 -5.784 923 3HB ALA 97 2HB ALA 97 15.453 10.097 -6.393 924 MB ALA 97 MB ALA 97 14.798 10.185 -5.606 925 H VAL 98 H VAL 98 14.787 5.757 -6.003 926 HA VAL 98 HA VAL 98 17.530 5.772 -6.747 927 HB VAL 98 HB VAL 98 17.228 3.416 -7.059 928 1HG1 VAL 98 1HG1 VAL 98 17.115 4.531 -4.713 929 2HG1 VAL 98 2HG1 VAL 98 15.404 4.042 -4.742 930 3HG1 VAL 98 3HG1 VAL 98 16.683 2.812 -4.872 931 1HG2 VAL 98 1HG2 VAL 98 14.602 4.127 -7.867 932 2HG2 VAL 98 2HG2 VAL 98 15.358 2.516 -7.872 933 3HG2 VAL 98 3HG2 VAL 98 14.440 3.063 -6.449 934 MG1 VAL 98 MG1 VAL 98 16.400 3.795 -4.776 935 MG2 VAL 98 MG2 VAL 98 14.800 3.235 -7.396 936 QG VAL 98 QG VAL 98 15.600 3.515 -6.086 937 HA PRO 99 HA PRO 99 17.114 6.393 -11.002 938 1HB PRO 99 1HB PRO 99 19.294 5.074 -11.991 939 2HB PRO 99 2HB PRO 99 19.385 6.667 -11.268 940 1HG PRO 99 2HG PRO 99 20.673 5.680 -9.628 941 2HG PRO 99 1HG PRO 99 20.214 4.066 -10.133 942 1HD PRO 99 1HD PRO 99 18.779 3.952 -8.341 943 2HD PRO 99 2HD PRO 99 19.153 5.608 -7.904 944 QB PRO 99 QB PRO 99 19.339 5.871 -11.629 945 QG PRO 99 QG PRO 99 20.443 4.873 -9.881 946 QD PRO 99 QD PRO 99 18.966 4.780 -8.123 947 HA PRO 100 HA PRO 100 15.266 3.198 -13.102 948 1HB PRO 100 1HB PRO 100 15.941 3.529 -15.729 949 2HB PRO 100 2HB PRO 100 14.707 4.482 -14.930 950 1HG PRO 100 1HG PRO 100 17.453 5.268 -15.692 951 2HG PRO 100 2HG PRO 100 16.089 6.293 -15.293 952 1HD PRO 100 1HD PRO 100 18.328 5.684 -13.607 953 2HD PRO 100 2HD PRO 100 16.909 6.613 -13.169 954 QB PRO 100 QB PRO 100 15.324 4.005 -15.330 955 QG PRO 100 QG PRO 100 16.771 5.780 -15.492 956 QD PRO 100 QD PRO 100 17.618 6.148 -13.388 957 HA PRO 101 HA PRO 101 17.856 -0.156 -13.382 958 1HB PRO 101 1HB PRO 101 16.112 -2.090 -14.211 959 2HB PRO 101 2HB PRO 101 16.261 -1.587 -12.539 960 1HG PRO 101 1HG PRO 101 14.124 -0.954 -14.480 961 2HG PRO 101 2HG PRO 101 14.091 -0.831 -12.733 962 1HD PRO 101 1HD PRO 101 14.374 1.328 -14.600 963 2HD PRO 101 2HD PRO 101 14.457 1.435 -12.853 964 QB PRO 101 QB PRO 101 16.186 -1.838 -13.375 965 QG PRO 101 QG PRO 101 14.107 -0.893 -13.607 966 QD PRO 101 QD PRO 101 14.415 1.381 -13.726 967 H ARG 102 H ARG 102 17.821 -2.335 -15.111 968 HA ARG 102 HA ARG 102 18.710 -0.901 -17.461 969 1HB ARG 102 1HB ARG 102 19.954 -2.868 -15.999 970 2HB ARG 102 2HB ARG 102 19.171 -3.855 -17.216 971 1HG ARG 102 2HG ARG 102 20.168 -2.184 -18.957 972 2HG ARG 102 1HG ARG 102 21.252 -3.344 -18.214 973 1HD ARG 102 1HD ARG 102 20.857 -0.486 -17.200 974 2HD ARG 102 2HD ARG 102 22.017 -1.645 -16.582 975 HE ARG 102 HE ARG 102 22.234 -1.087 -19.473 976 1HH1 ARG 102 1HH1 ARG 102 23.385 -0.282 -16.220 977 2HH1 ARG 102 2HH1 ARG 102 24.862 0.426 -16.783 978 2HH2 ARG 102 HH2 ARG 102 25.309 0.492 -19.136 979 QB ARG 102 QB ARG 102 19.562 -3.362 -16.608 980 QG ARG 102 QG ARG 102 20.710 -2.764 -18.585 981 QD ARG 102 QD ARG 102 21.437 -1.066 -16.891 982 QH1 ARG 102 QH1 ARG 102 24.123 0.072 -16.501 983 H PHE 103 H PHE 103 16.372 -3.303 -16.268 984 HA PHE 103 HA PHE 103 15.595 -4.682 -18.410 985 1HB PHE 103 2HB PHE 103 13.387 -4.684 -17.319 986 2HB PHE 103 1HB PHE 103 13.647 -3.080 -16.661 987 HD1 PHE 103 HD1 PHE 103 15.278 -6.444 -16.542 988 HD2 PHE 103 HD2 PHE 103 14.150 -2.946 -14.421 989 HE1 PHE 103 HE1 PHE 103 16.138 -7.457 -14.413 990 HE2 PHE 103 HE2 PHE 103 15.010 -3.959 -12.292 991 HZ PHE 103 HZ PHE 103 15.995 -6.202 -12.313 992 QB PHE 103 QB PHE 103 13.517 -3.882 -16.990 993 QD PHE 103 QD PHE 103 14.713 -4.695 -15.481 994 QE PHE 103 QE PHE 103 15.574 -5.708 -13.352 995 QR PHE 103 QR PHE 103 15.144 -5.201 -14.417 996 H HIS 104 H HIS 104 13.685 -4.407 -19.927 997 HA HIS 104 HA HIS 104 14.104 -2.115 -21.488 998 1HB HIS 104 1HB HIS 104 12.608 -4.606 -21.633 999 2HB HIS 104 2HB HIS 104 11.678 -3.271 -22.285 1000 HD1 HIS 104 HD1 HIS 104 12.152 -4.838 -24.542 1001 HD2 HIS 104 HD2 HIS 104 15.340 -2.578 -23.016 1002 HE1 HIS 104 HE1 HIS 104 13.866 -4.658 -26.423 1003 QB HIS 104 QB HIS 104 12.143 -3.938 -21.959 1004 H ASP 105 H ASP 105 12.012 -0.820 -22.291 1005 HA ASP 105 HA ASP 105 10.609 0.763 -21.813 1006 1HB ASP 105 1HB ASP 105 8.872 -0.710 -21.303 1007 2HB ASP 105 2HB ASP 105 9.745 -1.452 -19.978 1008 HD2 ASP 105 HD2 ASP 105 9.626 -0.506 -18.039 1009 QB ASP 105 QB ASP 105 9.309 -1.081 -20.640 No H/Q in entry = 1009 Start of MODEL 30 1 H LEU 7 H LEU 7 1.884 0.000 0.829 2 HA LEU 7 HA LEU 7 2.744 0.859 -1.224 3 1HB LEU 7 1HB LEU 7 2.436 -2.069 -0.834 4 2HB LEU 7 2HB LEU 7 3.023 -1.534 -2.396 5 HG LEU 7 HG LEU 7 4.389 -0.266 -0.113 6 1HD1 LEU 7 1HD1 LEU 7 4.002 -3.157 -0.130 7 2HD1 LEU 7 2HD1 LEU 7 5.720 -2.695 -0.180 8 3HD1 LEU 7 3HD1 LEU 7 4.674 -2.094 1.129 9 1HD2 LEU 7 1HD2 LEU 7 4.992 -1.269 -2.829 10 2HD2 LEU 7 2HD2 LEU 7 5.572 0.181 -1.975 11 3HD2 LEU 7 3HD2 LEU 7 6.312 -1.403 -1.643 12 MD1 LEU 7 MD1 LEU 7 4.799 -2.649 0.273 13 MD2 LEU 7 MD2 LEU 7 5.625 -0.830 -2.149 14 QB LEU 7 QB LEU 7 2.730 -1.801 -1.615 15 QD LEU 7 QD LEU 7 5.212 -1.739 -0.938 16 H SER 8 H SER 8 2.649 0.034 -3.772 17 HA SER 8 HA SER 8 0.731 1.375 -4.943 18 1HB SER 8 1HB SER 8 0.952 -0.966 -6.561 19 2HB SER 8 2HB SER 8 1.815 0.549 -6.740 20 HG SER 8 HG SER 8 2.641 -1.873 -5.473 21 QB SER 8 QB SER 8 1.384 -0.208 -6.650 22 H LEU 9 H LEU 9 -1.394 0.952 -5.903 23 HA LEU 9 HA LEU 9 -3.138 -0.372 -4.201 24 1HB LEU 9 1HB LEU 9 -3.655 0.239 -7.105 25 2HB LEU 9 2HB LEU 9 -4.820 0.124 -5.801 26 HG LEU 9 HG LEU 9 -3.088 2.376 -6.616 27 1HD1 LEU 9 1HD1 LEU 9 -5.859 1.842 -5.954 28 2HD1 LEU 9 2HD1 LEU 9 -5.248 3.272 -5.088 29 3HD1 LEU 9 3HD1 LEU 9 -5.139 3.193 -6.863 30 1HD2 LEU 9 1HD2 LEU 9 -3.311 1.525 -3.755 31 2HD2 LEU 9 2HD2 LEU 9 -1.950 2.269 -4.628 32 3HD2 LEU 9 3HD2 LEU 9 -3.350 3.260 -4.152 33 MD1 LEU 9 MD1 LEU 9 -5.416 2.769 -5.968 34 MD2 LEU 9 MD2 LEU 9 -2.870 2.352 -4.179 35 QB LEU 9 QB LEU 9 -4.237 0.182 -6.453 36 QD LEU 9 QD LEU 9 -4.143 2.560 -5.073 37 H THR 10 H THR 10 -1.374 -1.458 -7.120 38 HA THR 10 HA THR 10 -2.765 -3.800 -7.616 39 HB THR 10 HB THR 10 0.167 -2.989 -7.943 40 HG1 THR 10 HG1 THR 10 -1.672 -1.877 -9.078 41 1HG2 THR 10 1HG2 THR 10 -1.005 -5.608 -8.284 42 2HG2 THR 10 2HG2 THR 10 -0.758 -4.904 -9.901 43 3HG2 THR 10 3HG2 THR 10 0.616 -5.065 -8.780 44 MG THR 10 MG THR 10 -0.382 -5.192 -8.988 45 H GLN 11 H GLN 11 0.056 -3.272 -5.406 46 HA GLN 11 HA GLN 11 -0.097 -5.967 -4.537 47 1HB GLN 11 1HB GLN 11 1.747 -3.769 -4.324 48 2HB GLN 11 2HB GLN 11 1.399 -4.324 -2.699 49 1HG GLN 11 1HG GLN 11 1.708 -6.738 -3.976 50 2HG GLN 11 2HG GLN 11 2.785 -5.744 -4.936 51 2HE2 GLN 11 1HE2 GLN 11 4.786 -5.774 -4.292 52 1HE2 GLN 11 2HE2 GLN 11 5.373 -5.907 -2.667 53 QB GLN 11 QB GLN 11 1.573 -4.047 -3.512 54 QG GLN 11 QG GLN 11 2.246 -6.241 -4.456 55 QE GLN 11 QE GLN 11 5.080 -5.840 -3.480 56 H LEU 12 H LEU 12 -1.353 -2.806 -3.483 57 HA LEU 12 HA LEU 12 -1.936 -3.333 -0.857 58 1HB LEU 12 1HB LEU 12 -2.369 -1.303 -2.638 59 2HB LEU 12 2HB LEU 12 -4.003 -1.860 -2.339 60 HG LEU 12 HG LEU 12 -3.361 -0.006 -0.866 61 1HD1 LEU 12 1HD1 LEU 12 -4.663 -2.349 -0.153 62 2HD1 LEU 12 2HD1 LEU 12 -3.535 -2.060 1.193 63 3HD1 LEU 12 3HD1 LEU 12 -4.702 -0.800 0.723 64 1HD2 LEU 12 1HD2 LEU 12 -0.958 -1.575 -0.528 65 2HD2 LEU 12 2HD2 LEU 12 -1.286 0.118 -0.087 66 3HD2 LEU 12 3HD2 LEU 12 -1.691 -1.192 1.048 67 MD1 LEU 12 MD1 LEU 12 -4.300 -1.736 0.588 68 MD2 LEU 12 MD2 LEU 12 -1.312 -0.883 0.144 69 QB LEU 12 QB LEU 12 -3.186 -1.581 -2.489 70 QD LEU 12 QD LEU 12 -2.806 -1.310 0.366 71 H SER 13 H SER 13 -3.811 -4.181 -3.826 72 HA SER 13 HA SER 13 -4.820 -6.471 -2.581 73 1HB SER 13 1HB SER 13 -6.451 -4.000 -2.406 74 2HB SER 13 2HB SER 13 -7.315 -5.363 -3.088 75 HG SER 13 HG SER 13 -5.802 -6.052 -0.837 76 QB SER 13 QB SER 13 -6.883 -4.681 -2.747 77 H SER 14 H SER 14 -3.432 -6.421 -4.836 78 HA SER 14 HA SER 14 -3.398 -6.934 -6.943 79 1HB SER 14 1HB SER 14 -5.796 -8.134 -5.951 80 2HB SER 14 2HB SER 14 -6.182 -7.501 -7.538 81 HG SER 14 HG SER 14 -5.147 -9.783 -7.241 82 QB SER 14 QB SER 14 -5.989 -7.817 -6.744 83 H GLY 15 H GLY 15 -4.518 -4.184 -5.859 84 1HA GLY 15 1HA GLY 15 -4.754 -2.191 -6.939 85 2HA GLY 15 2HA GLY 15 -4.875 -3.021 -8.478 86 QA GLY 15 QA GLY 15 -4.814 -2.606 -7.709 87 H ASN 16 H ASN 16 -6.822 -3.533 -5.467 88 HA ASN 16 HA ASN 16 -9.190 -3.662 -6.919 89 1HB ASN 16 1HB ASN 16 -8.710 -4.639 -4.590 90 2HB ASN 16 2HB ASN 16 -8.874 -3.019 -3.942 91 2HD2 ASN 16 1HD2 ASN 16 -10.432 -5.588 -3.694 92 1HD2 ASN 16 2HD2 ASN 16 -12.085 -5.164 -3.987 93 QB ASN 16 QB ASN 16 -8.792 -3.829 -4.266 94 QD ASN 16 QD ASN 16 -11.259 -5.376 -3.840 95 HA PRO 17 HA PRO 17 -9.855 0.699 -7.134 96 1HB PRO 17 1HB PRO 17 -12.247 0.666 -8.455 97 2HB PRO 17 2HB PRO 17 -10.700 0.555 -9.271 98 1HG PRO 17 2HG PRO 17 -11.360 -1.563 -9.904 99 2HG PRO 17 1HG PRO 17 -12.679 -1.579 -8.750 100 1HD PRO 17 1HD PRO 17 -11.424 -2.945 -7.392 101 2HD PRO 17 2HD PRO 17 -10.065 -2.833 -8.492 102 QB PRO 17 QB PRO 17 -11.474 0.610 -8.863 103 QG PRO 17 QG PRO 17 -12.019 -1.571 -9.327 104 QD PRO 17 QD PRO 17 -10.744 -2.889 -7.942 105 H VAL 18 H VAL 18 -11.830 -1.550 -5.531 106 HA VAL 18 HA VAL 18 -13.892 -0.113 -4.580 107 HB VAL 18 HB VAL 18 -13.315 -2.476 -4.093 108 1HG1 VAL 18 1HG1 VAL 18 -10.914 -1.861 -3.385 109 2HG1 VAL 18 2HG1 VAL 18 -11.624 -1.469 -1.800 110 3HG1 VAL 18 3HG1 VAL 18 -11.761 -3.119 -2.452 111 1HG2 VAL 18 1HG2 VAL 18 -14.181 -0.584 -1.914 112 2HG2 VAL 18 2HG2 VAL 18 -15.152 -1.724 -2.876 113 3HG2 VAL 18 3HG2 VAL 18 -14.068 -2.333 -1.602 114 MG1 VAL 18 MG1 VAL 18 -11.433 -2.150 -2.546 115 MG2 VAL 18 MG2 VAL 18 -14.467 -1.547 -2.131 116 QG VAL 18 QG VAL 18 -12.950 -1.849 -2.338 117 H TYR 19 H TYR 19 -10.464 0.044 -3.450 118 HA TYR 19 HA TYR 19 -10.976 1.877 -1.375 119 1HB TYR 19 1HB TYR 19 -8.629 0.960 -3.115 120 2HB TYR 19 2HB TYR 19 -8.374 2.253 -1.960 121 HD1 TYR 19 HD1 TYR 19 -9.653 1.542 0.458 122 HD2 TYR 19 HD2 TYR 19 -7.789 -1.064 -2.377 123 HE1 TYR 19 HE1 TYR 19 -9.258 -0.178 2.288 124 HE2 TYR 19 HE2 TYR 19 -7.401 -2.776 -0.538 125 HH TYR 19 HH TYR 19 -7.298 -2.208 2.457 126 QB TYR 19 QB TYR 19 -8.501 1.606 -2.538 127 QD TYR 19 QD TYR 19 -8.721 0.239 -0.959 128 QE TYR 19 QE TYR 19 -8.329 -1.477 0.875 129 QR TYR 19 QR TYR 19 -8.525 -0.619 -0.042 130 H GLU 20 H GLU 20 -10.145 2.234 -4.858 131 HA GLU 20 HA GLU 20 -9.492 4.886 -4.825 132 1HB GLU 20 1HB GLU 20 -10.096 2.868 -6.777 133 2HB GLU 20 2HB GLU 20 -10.994 4.305 -7.223 134 1HG GLU 20 1HG GLU 20 -8.223 4.898 -6.360 135 2HG GLU 20 2HG GLU 20 -8.292 3.843 -7.758 136 HE2 GLU 20 HE2 GLU 20 -10.858 6.597 -7.864 137 QB GLU 20 QB GLU 20 -10.545 3.586 -7.000 138 QG GLU 20 QG GLU 20 -8.257 4.370 -7.059 139 H LYS 21 H LYS 21 -12.712 3.291 -4.896 140 HA LYS 21 HA LYS 21 -14.316 5.388 -5.551 141 1HB LYS 21 1HB LYS 21 -14.708 3.096 -3.620 142 2HB LYS 21 2HB LYS 21 -15.987 4.238 -3.978 143 1HG LYS 21 1HG LYS 21 -14.659 3.270 -6.427 144 2HG LYS 21 2HG LYS 21 -15.325 1.954 -5.481 145 1HD LYS 21 1HD LYS 21 -17.356 2.454 -6.360 146 2HD LYS 21 2HD LYS 21 -17.342 3.922 -5.402 147 1HE LYS 21 1HE LYS 21 -15.814 4.801 -7.454 148 2HE LYS 21 2HE LYS 21 -16.683 3.549 -8.319 149 QB LYS 21 QB LYS 21 -15.347 3.667 -3.799 150 QD LYS 21 QD LYS 21 -17.349 3.188 -5.881 151 QG LYS 21 QG LYS 21 -14.992 2.612 -5.954 152 QE LYS 21 QE LYS 21 -16.248 4.175 -7.886 153 QZ LYS 21 QZ LYS 21 -18.367 5.163 -7.169 154 H TYR 22 H TYR 22 -13.070 4.550 -2.246 155 HA TYR 22 HA TYR 22 -14.226 6.817 -1.033 156 1HB TYR 22 1HB TYR 22 -11.768 5.076 -0.374 157 2HB TYR 22 2HB TYR 22 -12.584 6.103 0.788 158 HD1 TYR 22 HD1 TYR 22 -14.850 5.510 1.618 159 HD2 TYR 22 HD2 TYR 22 -12.672 2.922 -1.003 160 HE1 TYR 22 HE1 TYR 22 -16.396 3.584 2.222 161 HE2 TYR 22 HE2 TYR 22 -14.226 1.006 -0.389 162 HH TYR 22 HH TYR 22 -15.693 0.334 1.244 163 QB TYR 22 QB TYR 22 -12.176 5.589 0.207 164 QD TYR 22 QD TYR 22 -13.761 4.216 0.308 165 QE TYR 22 QE TYR 22 -15.311 2.295 0.917 166 QR TYR 22 QR TYR 22 -14.536 3.256 0.612 167 H TYR 23 H TYR 23 -10.825 6.075 -2.082 168 HA TYR 23 HA TYR 23 -9.678 8.449 -1.319 169 1HB TYR 23 1HB TYR 23 -8.306 6.645 -2.151 170 2HB TYR 23 2HB TYR 23 -9.345 6.380 -3.537 171 HD1 TYR 23 HD1 TYR 23 -6.982 8.918 -2.116 172 HD2 TYR 23 HD2 TYR 23 -8.708 7.197 -5.632 173 HE1 TYR 23 HE1 TYR 23 -5.407 10.287 -3.567 174 HE2 TYR 23 HE2 TYR 23 -7.127 8.572 -7.072 175 HH TYR 23 HH TYR 23 -4.417 9.986 -5.926 176 QB TYR 23 QB TYR 23 -8.826 6.512 -2.844 177 QD TYR 23 QD TYR 23 -7.845 8.057 -3.874 178 QE TYR 23 QE TYR 23 -6.267 9.429 -5.320 179 QR TYR 23 QR TYR 23 -7.056 8.743 -4.597 180 H ARG 24 H ARG 24 -11.974 7.828 -3.909 181 HA ARG 24 HA ARG 24 -11.221 10.192 -5.321 182 1HB ARG 24 1HB ARG 24 -12.108 8.152 -6.493 183 2HB ARG 24 2HB ARG 24 -13.640 8.346 -5.664 184 1HG ARG 24 1HG ARG 24 -12.578 10.714 -7.198 185 2HG ARG 24 2HG ARG 24 -13.206 9.366 -8.125 186 1HD ARG 24 1HD ARG 24 -15.046 9.912 -5.952 187 2HD ARG 24 2HD ARG 24 -14.690 11.422 -6.767 188 HE ARG 24 HE ARG 24 -16.280 9.271 -7.819 189 1HH1 ARG 24 1HH1 ARG 24 -13.881 11.662 -8.858 190 2HH1 ARG 24 2HH1 ARG 24 -14.451 11.706 -10.494 191 2HH2 ARG 24 HH2 ARG 24 -16.304 10.326 -11.129 192 QB ARG 24 QB ARG 24 -12.874 8.249 -6.079 193 QG ARG 24 QG ARG 24 -12.892 10.040 -7.661 194 QD ARG 24 QD ARG 24 -14.868 10.667 -6.359 195 QH1 ARG 24 QH1 ARG 24 -14.166 11.684 -9.676 196 H GLN 25 H GLN 25 -13.415 9.207 -2.755 197 HA GLN 25 HA GLN 25 -15.364 11.156 -3.103 198 1HB GLN 25 1HB GLN 25 -14.414 9.565 -0.695 199 2HB GLN 25 2HB GLN 25 -15.725 10.721 -0.564 200 1HG GLN 25 1HG GLN 25 -16.705 9.432 -2.672 201 2HG GLN 25 2HG GLN 25 -15.623 8.151 -2.165 202 2HE2 GLN 25 1HE2 GLN 25 -15.632 8.070 0.445 203 1HE2 GLN 25 2HE2 GLN 25 -17.204 7.811 1.124 204 QB GLN 25 QB GLN 25 -15.069 10.143 -0.629 205 QG GLN 25 QG GLN 25 -16.164 8.792 -2.419 206 QE GLN 25 QE GLN 25 -16.418 7.941 0.784 207 H VAL 26 H VAL 26 -12.193 11.133 -1.422 208 HA VAL 26 HA VAL 26 -12.565 13.601 -0.108 209 HB VAL 26 HB VAL 26 -10.397 13.340 0.600 210 1HG1 VAL 26 1HG1 VAL 26 -11.983 11.163 0.727 211 2HG1 VAL 26 2HG1 VAL 26 -10.591 10.465 -0.136 212 3HG1 VAL 26 3HG1 VAL 26 -10.359 11.233 1.453 213 1HG2 VAL 26 1HG2 VAL 26 -9.821 11.955 -2.034 214 2HG2 VAL 26 2HG2 VAL 26 -9.204 13.523 -1.461 215 3HG2 VAL 26 3HG2 VAL 26 -8.666 12.016 -0.682 216 MG1 VAL 26 MG1 VAL 26 -10.978 10.954 0.681 217 MG2 VAL 26 MG2 VAL 26 -9.230 12.498 -1.392 218 QG VAL 26 QG VAL 26 -10.104 11.726 -0.355 219 H GLU 27 H GLU 27 -11.454 12.615 -3.355 220 HA GLU 27 HA GLU 27 -10.095 14.698 -4.234 221 1HB GLU 27 1HB GLU 27 -10.835 12.714 -5.584 222 2HB GLU 27 2HB GLU 27 -12.425 13.433 -5.744 223 1HG GLU 27 1HG GLU 27 -10.363 15.372 -6.483 224 2HG GLU 27 2HG GLU 27 -10.155 13.891 -7.397 225 HE2 GLU 27 HE2 GLU 27 -11.504 16.315 -8.812 226 QB GLU 27 QB GLU 27 -11.630 13.074 -5.664 227 QG GLU 27 QG GLU 27 -10.259 14.631 -6.940 228 H ALA 28 H ALA 28 -10.504 16.798 -5.165 229 HA ALA 28 HA ALA 28 -13.192 17.855 -4.720 230 1HB ALA 28 1HB ALA 28 -10.604 18.804 -3.483 231 2HB ALA 28 3HB ALA 28 -12.199 18.579 -2.724 232 3HB ALA 28 2HB ALA 28 -11.919 19.957 -3.817 233 MB ALA 28 MB ALA 28 -11.574 19.113 -3.341 234 H GLY 29 H GLY 29 -13.321 20.150 -5.768 235 1HA GLY 29 1HA GLY 29 -13.189 21.391 -7.636 236 2HA GLY 29 2HA GLY 29 -11.485 20.986 -7.692 237 QA GLY 29 QA GLY 29 -12.337 21.188 -7.664 238 H ASN 30 H ASN 30 -11.964 21.094 -10.114 239 HA ASN 30 HA ASN 30 -13.082 18.541 -10.970 240 1HB ASN 30 1HB ASN 30 -13.989 20.989 -11.731 241 2HB ASN 30 2HB ASN 30 -12.700 20.826 -12.908 242 2HD2 ASN 30 1HD2 ASN 30 -15.876 20.337 -12.390 243 1HD2 ASN 30 2HD2 ASN 30 -16.223 19.058 -13.506 244 QB ASN 30 QB ASN 30 -13.344 20.907 -12.320 245 QD ASN 30 QD ASN 30 -16.050 19.698 -12.948 246 H THR 31 H THR 31 -10.452 18.506 -10.067 247 HA THR 31 HA THR 31 -8.779 18.839 -12.457 248 HB THR 31 HB THR 31 -7.797 20.001 -10.632 249 HG1 THR 31 HG1 THR 31 -5.998 18.740 -10.880 250 1HG2 THR 31 1HG2 THR 31 -8.774 17.644 -8.957 251 2HG2 THR 31 2HG2 THR 31 -7.496 18.737 -8.374 252 3HG2 THR 31 3HG2 THR 31 -9.122 19.373 -8.720 253 MG THR 31 MG THR 31 -8.464 18.585 -8.683 254 H GLY 32 H GLY 32 -10.186 16.467 -10.240 255 1HA GLY 32 1HA GLY 32 -10.493 14.244 -10.759 256 2HA GLY 32 2HA GLY 32 -9.303 14.355 -12.041 257 QA GLY 32 QA GLY 32 -9.898 14.299 -11.400 258 H ARG 33 H ARG 33 -7.927 15.953 -9.432 259 HA ARG 33 HA ARG 33 -6.671 13.475 -8.560 260 1HB ARG 33 2HB ARG 33 -5.241 15.174 -9.872 261 2HB ARG 33 1HB ARG 33 -4.584 14.647 -8.335 262 1HG ARG 33 1HG ARG 33 -6.321 17.135 -8.489 263 2HG ARG 33 2HG ARG 33 -5.175 16.689 -7.240 264 1HD ARG 33 1HD ARG 33 -3.287 16.990 -8.850 265 2HD ARG 33 2HD ARG 33 -4.424 17.407 -10.117 266 HE ARG 33 HE ARG 33 -5.057 19.187 -8.086 267 1HH1 ARG 33 1HH1 ARG 33 -2.058 18.381 -9.790 268 2HH1 ARG 33 2HH1 ARG 33 -1.378 19.962 -9.598 269 2HH2 ARG 33 HH2 ARG 33 -2.632 21.647 -8.444 270 QB ARG 33 QB ARG 33 -4.913 14.911 -9.104 271 QG ARG 33 QG ARG 33 -5.748 16.912 -7.865 272 QD ARG 33 QD ARG 33 -3.856 17.199 -9.483 273 QH1 ARG 33 QH1 ARG 33 -1.718 19.171 -9.694 274 H VAL 34 H VAL 34 -5.829 13.535 -6.244 275 HA VAL 34 HA VAL 34 -7.819 14.800 -4.575 276 HB VAL 34 HB VAL 34 -5.573 12.847 -4.061 277 1HG1 VAL 34 1HG1 VAL 34 -7.363 14.322 -2.173 278 2HG1 VAL 34 2HG1 VAL 34 -7.007 12.613 -1.830 279 3HG1 VAL 34 3HG1 VAL 34 -5.677 13.787 -1.973 280 1HG2 VAL 34 1HG2 VAL 34 -8.547 12.612 -4.457 281 2HG2 VAL 34 2HG2 VAL 34 -7.227 11.653 -5.170 282 3HG2 VAL 34 3HG2 VAL 34 -7.679 11.416 -3.465 283 MG1 VAL 34 MG1 VAL 34 -6.682 13.574 -1.992 284 MG2 VAL 34 MG2 VAL 34 -7.818 11.894 -4.364 285 QG VAL 34 QG VAL 34 -7.250 12.734 -3.178 286 H LEU 35 H LEU 35 -7.549 16.845 -3.860 287 HA LEU 35 HA LEU 35 -5.103 18.194 -4.098 288 1HB LEU 35 1HB LEU 35 -7.826 18.752 -3.346 289 2HB LEU 35 2HB LEU 35 -6.728 19.525 -2.219 290 HG LEU 35 HG LEU 35 -6.589 19.841 -5.230 291 1HD1 LEU 35 1HD1 LEU 35 -8.681 20.747 -4.079 292 2HD1 LEU 35 2HD1 LEU 35 -7.599 21.914 -3.283 293 3HD1 LEU 35 3HD1 LEU 35 -7.728 21.887 -5.058 294 1HD2 LEU 35 1HD2 LEU 35 -4.673 20.377 -3.242 295 2HD2 LEU 35 2HD2 LEU 35 -4.660 20.899 -4.944 296 3HD2 LEU 35 3HD2 LEU 35 -5.364 21.954 -3.695 297 MD1 LEU 35 MD1 LEU 35 -8.002 21.516 -4.140 298 MD2 LEU 35 MD2 LEU 35 -4.899 21.077 -3.960 299 QB LEU 35 QB LEU 35 -7.277 19.139 -2.782 300 QD LEU 35 QD LEU 35 -6.451 21.296 -4.050 301 H ALA 36 H ALA 36 -6.140 15.810 -1.890 302 HA ALA 36 HA ALA 36 -4.944 14.897 -0.222 303 1HB ALA 36 3HB ALA 36 -2.822 15.645 0.359 304 2HB ALA 36 2HB ALA 36 -3.257 17.360 0.171 305 3HB ALA 36 1HB ALA 36 -2.990 16.346 -1.268 306 MB ALA 36 MB ALA 36 -3.023 16.450 -0.246 307 H LEU 37 H LEU 37 -5.383 18.484 0.172 308 HA LEU 37 HA LEU 37 -5.776 18.660 2.815 309 1HB LEU 37 1HB LEU 37 -6.889 20.062 0.452 310 2HB LEU 37 2HB LEU 37 -7.704 20.340 1.979 311 HG LEU 37 HG LEU 37 -5.883 21.985 1.307 312 1HD1 LEU 37 1HD1 LEU 37 -6.876 21.470 3.671 313 2HD1 LEU 37 2HD1 LEU 37 -5.256 20.807 3.993 314 3HD1 LEU 37 3HD1 LEU 37 -5.440 22.509 3.506 315 1HD2 LEU 37 1HD2 LEU 37 -4.211 19.540 1.811 316 2HD2 LEU 37 2HD2 LEU 37 -4.106 20.741 0.501 317 3HD2 LEU 37 3HD2 LEU 37 -3.562 21.164 2.142 318 MD1 LEU 37 MD1 LEU 37 -5.857 21.596 3.723 319 MD2 LEU 37 MD2 LEU 37 -3.959 20.482 1.485 320 QB LEU 37 QB LEU 37 -7.297 20.201 1.216 321 QD LEU 37 QD LEU 37 -4.909 21.039 2.604 322 H ASP 38 H ASP 38 -8.416 17.877 0.439 323 HA ASP 38 HA ASP 38 -10.342 17.429 2.322 324 1HB ASP 38 1HB ASP 38 -9.856 16.683 -0.516 325 2HB ASP 38 2HB ASP 38 -10.952 15.600 0.318 326 HD2 ASP 38 HD2 ASP 38 -12.966 16.451 0.883 327 QB ASP 38 QB ASP 38 -10.404 16.141 -0.099 328 H ALA 39 H ALA 39 -7.804 15.285 0.921 329 HA ALA 39 HA ALA 39 -8.638 12.830 1.758 330 1HB ALA 39 3HB ALA 39 -6.454 12.160 1.331 331 2HB ALA 39 2HB ALA 39 -5.749 13.621 2.063 332 3HB ALA 39 1HB ALA 39 -6.507 13.708 0.455 333 MB ALA 39 MB ALA 39 -6.237 13.163 1.283 334 H ALA 40 H ALA 40 -6.647 15.226 3.630 335 HA ALA 40 HA ALA 40 -6.465 13.715 5.946 336 1HB ALA 40 1HB ALA 40 -5.840 16.368 5.016 337 2HB ALA 40 3HB ALA 40 -5.149 15.477 6.393 338 3HB ALA 40 2HB ALA 40 -6.599 16.483 6.622 339 MB ALA 40 MB ALA 40 -5.863 16.109 6.010 340 H ALA 41 H ALA 41 -9.154 15.479 4.519 341 HA ALA 41 HA ALA 41 -10.612 15.822 6.932 342 1HB ALA 41 3HB ALA 41 -12.108 16.890 5.576 343 2HB ALA 41 2HB ALA 41 -12.040 15.626 4.326 344 3HB ALA 41 1HB ALA 41 -10.754 16.853 4.421 345 MB ALA 41 MB ALA 41 -11.634 16.456 4.774 346 H PHE 42 H PHE 42 -10.883 13.503 4.142 347 HA PHE 42 HA PHE 42 -12.911 11.975 5.199 348 1HB PHE 42 1HB PHE 42 -11.925 11.895 2.868 349 2HB PHE 42 2HB PHE 42 -10.442 11.226 3.520 350 HD1 PHE 42 HD1 PHE 42 -10.419 8.914 4.418 351 HD2 PHE 42 HD2 PHE 42 -13.839 10.514 2.482 352 HE1 PHE 42 HE1 PHE 42 -11.331 6.596 4.114 353 HE2 PHE 42 HE2 PHE 42 -14.751 8.196 2.178 354 HZ PHE 42 HZ PHE 42 -13.486 6.264 2.998 355 QB PHE 42 QB PHE 42 -11.183 11.560 3.194 356 QD PHE 42 QD PHE 42 -12.129 9.714 3.450 357 QE PHE 42 QE PHE 42 -13.041 7.396 3.146 358 QR PHE 42 QR PHE 42 -12.585 8.555 3.298 359 H LEU 43 H LEU 43 -9.446 12.053 5.983 360 HA LEU 43 HA LEU 43 -9.365 9.522 7.233 361 1HB LEU 43 1HB LEU 43 -7.619 11.974 7.360 362 2HB LEU 43 2HB LEU 43 -7.277 10.526 8.286 363 HG LEU 43 HG LEU 43 -7.526 10.592 5.267 364 1HD1 LEU 43 1HD1 LEU 43 -5.133 10.902 7.071 365 2HD1 LEU 43 2HD1 LEU 43 -4.981 10.248 5.423 366 3HD1 LEU 43 3HD1 LEU 43 -5.628 11.887 5.673 367 1HD2 LEU 43 1HD2 LEU 43 -7.420 8.442 7.177 368 2HD2 LEU 43 2HD2 LEU 43 -7.590 8.380 5.406 369 3HD2 LEU 43 3HD2 LEU 43 -5.971 8.410 6.144 370 MD1 LEU 43 MD1 LEU 43 -5.247 11.012 6.056 371 MD2 LEU 43 MD2 LEU 43 -6.994 8.411 6.242 372 QB LEU 43 QB LEU 43 -7.448 11.250 7.823 373 QD LEU 43 QD LEU 43 -6.120 9.712 6.149 374 H LYS 44 H LYS 44 -9.846 12.902 8.434 375 HA LYS 44 HA LYS 44 -9.971 12.301 11.122 376 1HB LYS 44 1HB LYS 44 -11.332 14.462 9.494 377 2HB LYS 44 2HB LYS 44 -11.361 14.411 11.245 378 1HG LYS 44 1HG LYS 44 -8.652 14.080 10.045 379 2HG LYS 44 2HG LYS 44 -9.392 15.639 9.746 380 1HD LYS 44 1HD LYS 44 -9.965 15.354 12.413 381 2HD LYS 44 2HD LYS 44 -8.475 14.435 12.328 382 1HE LYS 44 2HE LYS 44 -7.342 16.388 11.230 383 2HE LYS 44 1HE LYS 44 -7.936 16.771 12.834 384 QB LYS 44 QB LYS 44 -11.346 14.437 10.370 385 QD LYS 44 QD LYS 44 -9.220 14.895 12.370 386 QG LYS 44 QG LYS 44 -9.022 14.860 9.895 387 QE LYS 44 QE LYS 44 -7.639 16.580 12.032 388 QZ LYS 44 QZ LYS 44 -9.221 18.144 11.514 389 H LYS 45 H LYS 45 -12.122 11.424 8.535 390 HA LYS 45 HA LYS 45 -14.431 11.147 10.210 391 1HB LYS 45 1HB LYS 45 -13.991 9.984 7.451 392 2HB LYS 45 2HB LYS 45 -15.515 10.321 8.246 393 1HG LYS 45 1HG LYS 45 -14.560 12.811 8.366 394 2HG LYS 45 2HG LYS 45 -13.526 12.267 7.060 395 1HD LYS 45 1HD LYS 45 -15.441 11.687 5.671 396 2HD LYS 45 2HD LYS 45 -16.554 11.908 7.006 397 1HE LYS 45 1HE LYS 45 -14.863 14.291 6.421 398 2HE LYS 45 2HE LYS 45 -15.950 13.845 5.121 399 QB LYS 45 QB LYS 45 -14.753 10.152 7.849 400 QD LYS 45 QD LYS 45 -15.997 11.798 6.338 401 QG LYS 45 QG LYS 45 -14.043 12.539 7.713 402 QE LYS 45 QE LYS 45 -15.407 14.068 5.771 403 QZ LYS 45 QZ LYS 45 -17.056 14.941 6.998 404 H SER 46 H SER 46 -11.528 9.601 10.248 405 HA SER 46 HA SER 46 -12.409 6.918 10.209 406 1HB SER 46 2HB SER 46 -10.075 7.558 9.690 407 2HB SER 46 1HB SER 46 -10.137 6.400 11.003 408 HG SER 46 HG SER 46 -9.377 9.131 11.029 409 QB SER 46 QB SER 46 -10.106 6.979 10.347 410 H GLY 47 H GLY 47 -10.742 8.615 12.950 411 1HA GLY 47 1HA GLY 47 -12.710 8.692 14.828 412 2HA GLY 47 2HA GLY 47 -12.167 7.027 14.878 413 QA GLY 47 QA GLY 47 -12.439 7.859 14.853 414 H LEU 48 H LEU 48 -9.364 7.841 13.965 415 HA LEU 48 HA LEU 48 -8.317 8.226 16.574 416 1HB LEU 48 1HB LEU 48 -7.217 7.864 13.822 417 2HB LEU 48 2HB LEU 48 -6.160 8.483 15.075 418 HG LEU 48 HG LEU 48 -7.737 5.939 15.463 419 1HD1 LEU 48 1HD1 LEU 48 -5.076 6.287 14.072 420 2HD1 LEU 48 2HD1 LEU 48 -5.611 4.748 14.788 421 3HD1 LEU 48 3HD1 LEU 48 -6.547 5.487 13.466 422 1HD2 LEU 48 1HD2 LEU 48 -6.686 7.131 17.419 423 2HD2 LEU 48 2HD2 LEU 48 -6.164 5.447 17.174 424 3HD2 LEU 48 3HD2 LEU 48 -5.102 6.788 16.682 425 MD1 LEU 48 MD1 LEU 48 -5.745 5.507 14.109 426 MD2 LEU 48 MD2 LEU 48 -5.984 6.455 17.092 427 QB LEU 48 QB LEU 48 -6.689 8.174 14.448 428 QD LEU 48 QD LEU 48 -5.864 5.981 15.600 429 HA PRO 49 HA PRO 49 -7.836 12.514 16.621 430 1HB PRO 49 1HB PRO 49 -5.479 12.892 17.951 431 2HB PRO 49 2HB PRO 49 -6.985 12.505 18.760 432 1HG PRO 49 1HG PRO 49 -4.660 10.756 18.232 433 2HG PRO 49 2HG PRO 49 -5.964 10.532 19.382 434 1HD PRO 49 1HD PRO 49 -5.651 9.201 16.860 435 2HD PRO 49 2HD PRO 49 -7.011 9.064 17.956 436 QB PRO 49 QB PRO 49 -6.232 12.699 18.355 437 QG PRO 49 QG PRO 49 -5.312 10.644 18.807 438 QD PRO 49 QD PRO 49 -6.331 9.132 17.408 439 H ASP 50 H ASP 50 -6.307 14.478 16.206 440 HA ASP 50 HA ASP 50 -5.478 14.046 13.533 441 1HB ASP 50 2HB ASP 50 -6.496 16.175 14.180 442 2HB ASP 50 1HB ASP 50 -4.861 16.467 13.623 443 HD2 ASP 50 HD2 ASP 50 -5.760 17.074 17.478 444 QB ASP 50 QB ASP 50 -5.679 16.321 13.901 445 H LEU 51 H LEU 51 -4.022 14.266 16.776 446 HA LEU 51 HA LEU 51 -1.400 14.866 16.050 447 1HB LEU 51 1HB LEU 51 -1.500 15.079 18.253 448 2HB LEU 51 2HB LEU 51 -2.868 13.993 18.394 449 HG LEU 51 HG LEU 51 -1.340 12.053 18.346 450 1HD1 LEU 51 1HD1 LEU 51 0.472 13.732 17.175 451 2HD1 LEU 51 2HD1 LEU 51 1.096 13.626 18.839 452 3HD1 LEU 51 3HD1 LEU 51 0.850 12.144 17.883 453 1HD2 LEU 51 1HD2 LEU 51 -1.084 14.181 20.443 454 2HD2 LEU 51 2HD2 LEU 51 -1.897 12.599 20.513 455 3HD2 LEU 51 3HD2 LEU 51 -0.120 12.691 20.571 456 MD1 LEU 51 MD1 LEU 51 0.806 13.167 17.966 457 MD2 LEU 51 MD2 LEU 51 -1.034 13.157 20.509 458 QB LEU 51 QB LEU 51 -2.184 14.536 18.323 459 QD LEU 51 QD LEU 51 -0.114 13.162 19.237 460 H ILE 52 H ILE 52 -2.793 11.618 16.917 461 HA ILE 52 HA ILE 52 -0.591 10.181 16.048 462 HB ILE 52 HB ILE 52 -3.502 9.435 16.305 463 1HG1 ILE 52 1HG1 ILE 52 -1.189 9.593 18.161 464 2HG1 ILE 52 2HG1 ILE 52 -2.896 9.852 18.458 465 1HG2 ILE 52 1HG2 ILE 52 -1.976 7.998 14.735 466 2HG2 ILE 52 2HG2 ILE 52 -1.297 7.404 16.269 467 3HG2 ILE 52 3HG2 ILE 52 -3.034 7.213 15.931 468 1HD1 ILE 52 1HD1 ILE 52 -3.144 7.272 18.039 469 2HD1 ILE 52 2HD1 ILE 52 -1.384 7.229 18.304 470 3HD1 ILE 52 3HD1 ILE 52 -2.463 7.823 19.589 471 MG ILE 52 MG ILE 52 -2.103 7.539 15.645 472 MD ILE 52 MD ILE 52 -2.331 7.442 18.644 473 QG ILE 52 QG ILE 52 -2.043 9.722 18.310 474 H LEU 53 H LEU 53 -3.390 11.524 14.285 475 HA LEU 53 HA LEU 53 -3.020 10.062 11.926 476 1HB LEU 53 1HB LEU 53 -4.496 12.474 12.795 477 2HB LEU 53 2HB LEU 53 -4.153 12.365 11.080 478 HG LEU 53 HG LEU 53 -5.478 10.119 12.611 479 1HD1 LEU 53 1HD1 LEU 53 -6.666 12.457 12.626 480 2HD1 LEU 53 2HD1 LEU 53 -7.060 12.040 10.941 481 3HD1 LEU 53 3HD1 LEU 53 -7.584 10.975 12.267 482 1HD2 LEU 53 1HD2 LEU 53 -4.430 9.567 10.437 483 2HD2 LEU 53 2HD2 LEU 53 -6.197 9.351 10.437 484 3HD2 LEU 53 3HD2 LEU 53 -5.475 10.776 9.653 485 MD1 LEU 53 MD1 LEU 53 -7.104 11.824 11.945 486 MD2 LEU 53 MD2 LEU 53 -5.367 9.898 10.175 487 QB LEU 53 QB LEU 53 -4.324 12.420 11.938 488 QD LEU 53 QD LEU 53 -6.235 10.861 11.060 489 H GLY 54 H GLY 54 -1.819 13.317 12.977 490 1HA GLY 54 1HA GLY 54 -0.536 14.207 10.787 491 2HA GLY 54 2HA GLY 54 0.103 14.372 12.411 492 QA GLY 54 QA GLY 54 -0.216 14.289 11.599 493 H LYS 55 H LYS 55 0.688 11.668 13.071 494 HA LYS 55 HA LYS 55 3.176 11.380 11.830 495 1HB LYS 55 1HB LYS 55 1.521 9.765 13.738 496 2HB LYS 55 2HB LYS 55 2.918 9.014 12.994 497 1HG LYS 55 1HG LYS 55 3.901 11.523 13.749 498 2HG LYS 55 2HG LYS 55 2.799 11.134 15.055 499 1HD LYS 55 1HD LYS 55 4.349 8.767 14.360 500 2HD LYS 55 2HD LYS 55 5.436 10.114 14.636 501 1HE LYS 55 1HE LYS 55 3.962 10.545 16.789 502 2HE LYS 55 2HE LYS 55 3.423 8.895 16.552 503 QB LYS 55 QB LYS 55 2.220 9.390 13.366 504 QD LYS 55 QD LYS 55 4.893 9.441 14.498 505 QG LYS 55 QG LYS 55 3.350 11.328 14.402 506 QE LYS 55 QE LYS 55 3.692 9.720 16.671 507 QZ LYS 55 QZ LYS 55 6.038 9.045 16.749 508 H ILE 56 H ILE 56 -0.019 9.802 11.300 509 HA ILE 56 HA ILE 56 0.846 7.866 9.514 510 HB ILE 56 HB ILE 56 -1.784 9.318 9.790 511 1HG1 ILE 56 1HG1 ILE 56 -0.737 6.685 10.857 512 2HG1 ILE 56 2HG1 ILE 56 -1.202 8.100 11.780 513 1HG2 ILE 56 1HG2 ILE 56 -1.016 6.981 8.041 514 2HG2 ILE 56 2HG2 ILE 56 -2.690 7.275 8.569 515 3HG2 ILE 56 3HG2 ILE 56 -1.839 8.492 7.588 516 1HD1 ILE 56 1HD1 ILE 56 -3.509 7.673 10.350 517 2HD1 ILE 56 2HD1 ILE 56 -2.911 6.007 10.533 518 3HD1 ILE 56 3HD1 ILE 56 -3.207 7.009 11.974 519 MG ILE 56 MG ILE 56 -1.848 7.583 8.066 520 MD ILE 56 MD ILE 56 -3.209 6.896 10.952 521 QG ILE 56 QG ILE 56 -0.970 7.392 11.319 522 H TRP 57 H TRP 57 -0.544 11.153 8.814 523 HA TRP 57 HA TRP 57 -0.182 11.055 6.079 524 1HB TRP 57 1HB TRP 57 -1.516 12.719 7.347 525 2HB TRP 57 2HB TRP 57 -0.030 13.482 7.876 526 HD1 TRP 57 HD1 TRP 57 1.520 14.593 5.785 527 HE1 TRP 57 HE1 TRP 57 0.825 15.781 3.534 528 HE3 TRP 57 HE3 TRP 57 -3.199 12.706 5.635 529 HZ2 TRP 57 HZ2 TRP 57 -1.567 15.798 1.978 530 HZ3 TRP 57 HZ3 TRP 57 -4.650 13.359 3.715 531 HH2 TRP 57 HH2 TRP 57 -3.903 14.849 1.927 532 QB TRP 57 QB TRP 57 -0.773 13.100 7.611 533 H ASP 58 H ASP 58 1.984 12.410 8.671 534 HA ASP 58 HA ASP 58 3.998 13.318 7.209 535 1HB ASP 58 1HB ASP 58 3.696 12.964 9.816 536 2HB ASP 58 2HB ASP 58 4.606 11.489 9.554 537 HD2 ASP 58 HD2 ASP 58 6.987 11.904 8.950 538 QB ASP 58 QB ASP 58 4.151 12.226 9.685 539 H LEU 59 H LEU 59 3.396 9.871 8.179 540 HA LEU 59 HA LEU 59 5.707 8.914 6.802 541 1HB LEU 59 1HB LEU 59 4.921 7.815 8.790 542 2HB LEU 59 2HB LEU 59 3.341 7.543 8.081 543 HG LEU 59 HG LEU 59 5.020 5.586 8.208 544 1HD1 LEU 59 1HD1 LEU 59 3.285 6.351 5.889 545 2HD1 LEU 59 2HD1 LEU 59 4.263 4.866 5.798 546 3HD1 LEU 59 3HD1 LEU 59 3.073 5.069 7.106 547 1HD2 LEU 59 1HD2 LEU 59 6.192 7.205 5.950 548 2HD2 LEU 59 2HD2 LEU 59 7.009 6.471 7.351 549 3HD2 LEU 59 3HD2 LEU 59 6.386 5.438 6.042 550 MD1 LEU 59 MD1 LEU 59 3.540 5.428 6.264 551 MD2 LEU 59 MD2 LEU 59 6.529 6.371 6.448 552 QB LEU 59 QB LEU 59 4.131 7.679 8.435 553 QD LEU 59 QD LEU 59 5.035 5.900 6.356 554 H ALA 60 H ALA 60 2.290 9.512 6.061 555 HA ALA 60 HA ALA 60 2.145 7.863 3.788 556 1HB ALA 60 3HB ALA 60 0.035 8.777 3.548 557 2HB ALA 60 1HB ALA 60 0.340 9.162 5.260 558 3HB ALA 60 2HB ALA 60 0.571 10.410 4.012 559 MB ALA 60 MB ALA 60 0.315 9.450 4.273 560 H ASP 61 H ASP 61 2.394 11.490 3.984 561 HA ASP 61 HA ASP 61 2.796 12.088 1.465 562 1HB ASP 61 1HB ASP 61 2.917 13.682 3.399 563 2HB ASP 61 2HB ASP 61 4.531 13.106 3.765 564 HD2 ASP 61 HD2 ASP 61 3.667 15.979 1.456 565 QB ASP 61 QB ASP 61 3.724 13.394 3.582 566 H THR 62 H THR 62 4.360 11.712 -0.153 567 HA THR 62 HA THR 62 7.058 11.013 0.566 568 HB THR 62 HB THR 62 5.017 8.984 -0.391 569 HG1 THR 62 HG1 THR 62 5.793 8.170 1.519 570 1HG2 THR 62 1HG2 THR 62 7.752 9.331 -1.458 571 2HG2 THR 62 2HG2 THR 62 7.546 7.777 -0.615 572 3HG2 THR 62 3HG2 THR 62 6.480 8.200 -1.977 573 MG THR 62 MG THR 62 7.259 8.436 -1.350 574 H ASP 63 H ASP 63 4.527 11.187 -2.002 575 HA ASP 63 HA ASP 63 6.340 11.510 -4.069 576 1HB ASP 63 1HB ASP 63 3.607 11.257 -3.843 577 2HB ASP 63 2HB ASP 63 3.728 12.955 -4.257 578 HD2 ASP 63 HD2 ASP 63 3.939 13.091 -6.911 579 QB ASP 63 QB ASP 63 3.668 12.106 -4.050 580 H GLY 64 H GLY 64 4.292 13.913 -2.239 581 1HA GLY 64 1HA GLY 64 6.349 15.867 -2.133 582 2HA GLY 64 2HA GLY 64 5.220 16.240 -3.421 583 QA GLY 64 QA GLY 64 5.785 16.053 -2.777 584 H LYS 65 H LYS 65 3.510 17.511 -2.865 585 HA LYS 65 HA LYS 65 1.994 17.013 -0.535 586 1HB LYS 65 1HB LYS 65 4.163 18.227 0.283 587 2HB LYS 65 2HB LYS 65 3.417 19.660 -0.395 588 1HG LYS 65 1HG LYS 65 1.389 18.266 1.101 589 2HG LYS 65 2HG LYS 65 2.823 18.337 2.107 590 1HD LYS 65 1HD LYS 65 2.204 20.877 0.679 591 2HD LYS 65 2HD LYS 65 0.984 20.387 1.838 592 1HE LYS 65 1HE LYS 65 2.662 20.252 3.634 593 2HE LYS 65 2HE LYS 65 3.962 20.549 2.498 594 QB LYS 65 QB LYS 65 3.790 18.944 -0.056 595 QD LYS 65 QD LYS 65 1.594 20.632 1.259 596 QG LYS 65 QG LYS 65 2.106 18.301 1.604 597 QE LYS 65 QE LYS 65 3.312 20.400 3.066 598 QZ LYS 65 QZ LYS 65 2.239 22.561 2.869 599 H GLY 66 H GLY 66 0.183 18.672 -0.348 600 1HA GLY 66 1HA GLY 66 -1.251 20.199 -1.272 601 2HA GLY 66 2HA GLY 66 -0.212 20.357 -2.674 602 QA GLY 66 QA GLY 66 -0.732 20.278 -1.973 603 H VAL 67 H VAL 67 -0.193 17.160 -2.607 604 HA VAL 67 HA VAL 67 -2.892 16.596 -3.430 605 HB VAL 67 HB VAL 67 -0.832 16.033 -5.506 606 1HG1 VAL 67 1HG1 VAL 67 -3.148 15.167 -5.670 607 2HG1 VAL 67 2HG1 VAL 67 -3.755 16.840 -5.673 608 3HG1 VAL 67 3HG1 VAL 67 -2.732 16.262 -7.010 609 1HG2 VAL 67 1HG2 VAL 67 -0.474 18.425 -4.905 610 2HG2 VAL 67 2HG2 VAL 67 -1.080 18.195 -6.563 611 3HG2 VAL 67 3HG2 VAL 67 -2.186 18.741 -5.279 612 MG1 VAL 67 MG1 VAL 67 -3.212 16.090 -6.118 613 MG2 VAL 67 MG2 VAL 67 -1.247 18.454 -5.582 614 QG VAL 67 QG VAL 67 -2.229 17.272 -5.850 615 H LEU 68 H LEU 68 -3.106 14.217 -3.996 616 HA LEU 68 HA LEU 68 -0.990 12.703 -2.630 617 1HB LEU 68 1HB LEU 68 -3.976 12.246 -2.538 618 2HB LEU 68 2HB LEU 68 -2.766 11.187 -1.841 619 HG LEU 68 HG LEU 68 -3.326 14.047 -1.008 620 1HD1 LEU 68 1HD1 LEU 68 -3.914 11.412 0.368 621 2HD1 LEU 68 2HD1 LEU 68 -4.125 13.024 1.093 622 3HD1 LEU 68 3HD1 LEU 68 -5.099 12.548 -0.319 623 1HD2 LEU 68 1HD2 LEU 68 -1.328 12.053 0.095 624 2HD2 LEU 68 2HD2 LEU 68 -0.966 13.576 -0.752 625 3HD2 LEU 68 3HD2 LEU 68 -1.751 13.611 0.844 626 MD1 LEU 68 MD1 LEU 68 -4.379 12.328 0.380 627 MD2 LEU 68 MD2 LEU 68 -1.348 13.080 0.062 628 QB LEU 68 QB LEU 68 -3.371 11.717 -2.190 629 QD LEU 68 QD LEU 68 -2.864 12.704 0.221 630 H SER 69 H SER 69 -0.786 10.421 -3.371 631 HA SER 69 HA SER 69 -1.125 10.392 -6.230 632 1HB SER 69 1HB SER 69 0.411 8.627 -4.282 633 2HB SER 69 2HB SER 69 0.277 8.236 -5.985 634 HG SER 69 HG SER 69 2.227 9.477 -5.394 635 QB SER 69 QB SER 69 0.344 8.432 -5.134 636 H LYS 70 H LYS 70 -1.022 7.363 -4.392 637 HA LYS 70 HA LYS 70 -3.853 6.982 -4.397 638 1HB LYS 70 1HB LYS 70 -3.422 4.845 -5.938 639 2HB LYS 70 2HB LYS 70 -3.930 6.392 -6.583 640 1HG LYS 70 1HG LYS 70 -1.896 6.802 -7.583 641 2HG LYS 70 2HG LYS 70 -0.983 6.120 -6.252 642 1HD LYS 70 1HD LYS 70 -1.121 3.928 -7.087 643 2HD LYS 70 2HD LYS 70 -2.611 4.236 -7.957 644 1HE LYS 70 1HE LYS 70 -1.519 5.028 -9.825 645 2HE LYS 70 2HE LYS 70 -0.303 5.873 -8.887 646 QB LYS 70 QB LYS 70 -3.676 5.618 -6.260 647 QD LYS 70 QD LYS 70 -1.866 4.082 -7.522 648 QG LYS 70 QG LYS 70 -1.440 6.461 -6.917 649 QE LYS 70 QE LYS 70 -0.911 5.450 -9.356 650 QZ LYS 70 QZ LYS 70 0.629 3.835 -9.548 651 H GLN 71 H GLN 71 -0.787 5.037 -4.645 652 HA GLN 71 HA GLN 71 -1.566 3.116 -2.870 653 1HB GLN 71 2HB GLN 71 0.642 3.559 -4.416 654 2HB GLN 71 1HB GLN 71 0.534 2.288 -3.214 655 1HG GLN 71 1HG GLN 71 1.790 5.045 -2.883 656 2HG GLN 71 2HG GLN 71 1.430 4.020 -1.509 657 2HE2 GLN 71 1HE2 GLN 71 3.236 3.186 -0.794 658 1HE2 GLN 71 2HE2 GLN 71 4.480 2.423 -1.726 659 QB GLN 71 QB GLN 71 0.588 2.924 -3.815 660 QG GLN 71 QG GLN 71 1.610 4.533 -2.196 661 QE GLN 71 QE GLN 71 3.858 2.805 -1.260 662 H GLU 72 H GLU 72 0.181 6.227 -2.269 663 HA GLU 72 HA GLU 72 0.777 5.895 0.344 664 1HB GLU 72 1HB GLU 72 0.371 8.482 0.448 665 2HB GLU 72 2HB GLU 72 1.601 7.859 -0.634 666 1HG GLU 72 2HG GLU 72 -0.861 7.797 -2.095 667 2HG GLU 72 1HG GLU 72 0.538 8.811 -2.392 668 HE2 GLU 72 HE2 GLU 72 0.506 10.875 -1.424 669 QB GLU 72 QB GLU 72 0.986 8.170 -0.093 670 QG GLU 72 QG GLU 72 -0.161 8.304 -2.244 671 H PHE 73 H PHE 73 -2.138 7.780 -0.756 672 HA PHE 73 HA PHE 73 -3.384 7.840 1.682 673 1HB PHE 73 1HB PHE 73 -4.154 9.190 -0.191 674 2HB PHE 73 2HB PHE 73 -4.279 7.794 -1.243 675 HD1 PHE 73 HD1 PHE 73 -6.068 6.013 -0.561 676 HD2 PHE 73 HD2 PHE 73 -6.066 10.024 0.825 677 HE1 PHE 73 HE1 PHE 73 -8.514 5.830 -0.027 678 HE2 PHE 73 HE2 PHE 73 -8.511 9.841 1.359 679 HZ PHE 73 HZ PHE 73 -9.706 7.746 0.926 680 QB PHE 73 QB PHE 73 -4.216 8.492 -0.717 681 QD PHE 73 QD PHE 73 -6.067 8.019 0.132 682 QE PHE 73 QE PHE 73 -8.512 7.836 0.666 683 QR PHE 73 QR PHE 73 -7.290 7.927 0.399 684 H PHE 74 H PHE 74 -3.023 5.157 -0.563 685 HA PHE 74 HA PHE 74 -5.281 3.707 0.408 686 1HB PHE 74 1HB PHE 74 -3.009 3.484 -1.518 687 2HB PHE 74 2HB PHE 74 -3.409 1.946 -0.780 688 HD1 PHE 74 HD1 PHE 74 -5.441 4.823 -2.042 689 HD2 PHE 74 HD2 PHE 74 -4.690 0.649 -2.176 690 HE1 PHE 74 HE1 PHE 74 -7.333 4.535 -3.666 691 HE2 PHE 74 HE2 PHE 74 -6.582 0.360 -3.800 692 HZ PHE 74 HZ PHE 74 -7.881 2.307 -4.525 693 QB PHE 74 QB PHE 74 -3.209 2.715 -1.149 694 QD PHE 74 QD PHE 74 -5.065 2.736 -2.109 695 QE PHE 74 QE PHE 74 -6.957 2.448 -3.733 696 QR PHE 74 QR PHE 74 -6.011 2.592 -2.921 697 H VAL 75 H VAL 75 -1.991 4.254 1.468 698 HA VAL 75 HA VAL 75 -1.906 1.794 2.991 699 HB VAL 75 HB VAL 75 -0.054 3.802 2.022 700 1HG1 VAL 75 1HG1 VAL 75 0.038 3.089 4.956 701 2HG1 VAL 75 2HG1 VAL 75 1.514 3.493 4.047 702 3HG1 VAL 75 3HG1 VAL 75 0.198 4.684 4.183 703 1HG2 VAL 75 1HG2 VAL 75 -0.276 1.050 2.066 704 2HG2 VAL 75 2HG2 VAL 75 1.161 1.970 1.559 705 3HG2 VAL 75 3HG2 VAL 75 1.040 1.356 3.225 706 MG1 VAL 75 MG1 VAL 75 0.584 3.756 4.396 707 MG2 VAL 75 MG2 VAL 75 0.642 1.459 2.284 708 QG VAL 75 QG VAL 75 0.613 2.607 3.340 709 H ALA 76 H ALA 76 -1.819 5.370 3.654 710 HA ALA 76 HA ALA 76 -1.959 5.264 6.374 711 1HB ALA 76 3HB ALA 76 -2.890 7.522 6.216 712 2HB ALA 76 2HB ALA 76 -3.369 7.232 4.526 713 3HB ALA 76 1HB ALA 76 -1.645 7.295 4.965 714 MB ALA 76 MB ALA 76 -2.635 7.350 5.236 715 H LEU 77 H LEU 77 -4.557 4.788 3.950 716 HA LEU 77 HA LEU 77 -6.762 4.996 5.546 717 1HB LEU 77 1HB LEU 77 -6.116 4.050 2.978 718 2HB LEU 77 2HB LEU 77 -6.991 2.746 3.755 719 HG LEU 77 HG LEU 77 -7.938 5.574 3.260 720 1HD1 LEU 77 1HD1 LEU 77 -8.005 3.595 1.520 721 2HD1 LEU 77 2HD1 LEU 77 -9.431 3.105 2.467 722 3HD1 LEU 77 3HD1 LEU 77 -9.380 4.711 1.702 723 1HD2 LEU 77 1HD2 LEU 77 -8.622 3.919 5.472 724 2HD2 LEU 77 2HD2 LEU 77 -9.321 5.484 4.989 725 3HD2 LEU 77 3HD2 LEU 77 -10.019 3.968 4.369 726 MD1 LEU 77 MD1 LEU 77 -8.939 3.804 1.897 727 MD2 LEU 77 MD2 LEU 77 -9.321 4.457 4.943 728 QB LEU 77 QB LEU 77 -6.554 3.398 3.367 729 QD LEU 77 QD LEU 77 -9.130 4.130 3.420 730 H ARG 78 H ARG 78 -5.152 1.831 4.759 731 HA ARG 78 HA ARG 78 -6.467 0.526 6.817 732 1HB ARG 78 1HB ARG 78 -4.097 -0.075 5.041 733 2HB ARG 78 2HB ARG 78 -4.360 -1.118 6.424 734 1HG ARG 78 2HG ARG 78 -5.531 -2.086 4.522 735 2HG ARG 78 1HG ARG 78 -6.309 -0.561 4.145 736 1HD ARG 78 2HD ARG 78 -6.798 -1.491 6.927 737 2HD ARG 78 1HD ARG 78 -7.421 -2.579 5.703 738 HE ARG 78 HE ARG 78 -8.275 0.226 6.163 739 1HH1 ARG 78 1HH1 ARG 78 -8.544 -2.696 4.177 740 2HH1 ARG 78 2HH1 ARG 78 -10.031 -2.205 3.436 741 2HH2 ARG 78 HH2 ARG 78 -11.008 -0.103 4.044 742 QB ARG 78 QB ARG 78 -4.229 -0.596 5.732 743 QG ARG 78 QG ARG 78 -5.920 -1.324 4.334 744 QD ARG 78 QD ARG 78 -7.110 -2.035 6.315 745 QH1 ARG 78 QH1 ARG 78 -9.287 -2.451 3.806 746 H LEU 79 H LEU 79 -3.568 2.523 6.703 747 HA LEU 79 HA LEU 79 -2.184 1.510 8.890 748 1HB LEU 79 1HB LEU 79 -1.729 3.398 7.043 749 2HB LEU 79 2HB LEU 79 -2.178 4.436 8.382 750 HG LEU 79 HG LEU 79 0.093 2.434 8.308 751 1HD1 LEU 79 1HD1 LEU 79 0.042 4.965 7.311 752 2HD1 LEU 79 2HD1 LEU 79 0.596 5.263 8.977 753 3HD1 LEU 79 3HD1 LEU 79 1.498 4.145 7.926 754 1HD2 LEU 79 1HD2 LEU 79 -1.059 2.474 10.521 755 2HD2 LEU 79 2HD2 LEU 79 0.634 3.021 10.568 756 3HD2 LEU 79 3HD2 LEU 79 -0.688 4.211 10.632 757 MD1 LEU 79 MD1 LEU 79 0.712 4.791 8.071 758 MD2 LEU 79 MD2 LEU 79 -0.371 3.235 10.574 759 QB LEU 79 QB LEU 79 -1.954 3.917 7.713 760 QD LEU 79 QD LEU 79 0.171 4.013 9.323 761 H VAL 80 H VAL 80 -4.969 3.756 8.642 762 HA VAL 80 HA VAL 80 -4.941 4.620 11.293 763 HB VAL 80 HB VAL 80 -7.038 4.372 9.153 764 1HG1 VAL 80 1HG1 VAL 80 -7.529 4.592 11.992 765 2HG1 VAL 80 2HG1 VAL 80 -8.043 6.080 11.162 766 3HG1 VAL 80 3HG1 VAL 80 -8.690 4.504 10.646 767 1HG2 VAL 80 1HG2 VAL 80 -5.106 6.122 9.219 768 2HG2 VAL 80 2HG2 VAL 80 -6.761 6.664 8.854 769 3HG2 VAL 80 3HG2 VAL 80 -6.086 6.902 10.483 770 MG1 VAL 80 MG1 VAL 80 -8.087 5.059 11.267 771 MG2 VAL 80 MG2 VAL 80 -5.985 6.563 9.519 772 QG VAL 80 QG VAL 80 -7.036 5.811 10.393 773 H ALA 81 H ALA 81 -6.691 1.872 9.693 774 HA ALA 81 HA ALA 81 -7.999 0.957 11.947 775 1HB ALA 81 1HB ALA 81 -7.887 0.276 9.314 776 2HB ALA 81 3HB ALA 81 -8.631 -0.747 10.566 777 3HB ALA 81 2HB ALA 81 -6.965 -1.069 10.028 778 MB ALA 81 MB ALA 81 -7.828 -0.514 9.969 779 H CYS 82 H CYS 82 -4.598 0.861 11.062 780 HA CYS 82 HA CYS 82 -3.916 -1.355 12.670 781 1HB CYS 82 1HB CYS 82 -2.620 0.028 10.731 782 2HB CYS 82 2HB CYS 82 -1.864 0.733 12.146 783 HG CYS 82 HG CYS 82 -1.150 -1.477 13.031 784 QB CYS 82 QB CYS 82 -2.242 0.381 11.439 785 H ALA 83 H ALA 83 -3.195 2.200 13.059 786 HA ALA 83 HA ALA 83 -2.497 2.007 15.746 787 1HB ALA 83 3HB ALA 83 -1.865 3.889 14.334 788 2HB ALA 83 2HB ALA 83 -2.828 4.488 15.705 789 3HB ALA 83 1HB ALA 83 -3.573 4.329 14.096 790 MB ALA 83 MB ALA 83 -2.755 4.235 14.711 791 H GLN 84 H GLN 84 -5.599 1.907 14.133 792 HA GLN 84 HA GLN 84 -7.174 2.969 16.140 793 1HB GLN 84 1HB GLN 84 -7.682 0.945 13.937 794 2HB GLN 84 2HB GLN 84 -8.955 1.387 15.057 795 1HG GLN 84 1HG GLN 84 -7.566 3.768 14.039 796 2HG GLN 84 2HG GLN 84 -8.191 2.792 12.725 797 2HE2 GLN 84 1HE2 GLN 84 -10.453 1.754 13.459 798 1HE2 GLN 84 2HE2 GLN 84 -11.635 2.921 13.949 799 QB GLN 84 QB GLN 84 -8.319 1.166 14.497 800 QG GLN 84 QG GLN 84 -7.878 3.280 13.382 801 QE GLN 84 QE GLN 84 -11.044 2.338 13.704 802 H ASN 85 H ASN 85 -5.217 0.152 16.126 803 HA ASN 85 HA ASN 85 -6.857 -1.018 18.231 804 1HB ASN 85 1HB ASN 85 -6.101 -2.344 16.055 805 2HB ASN 85 2HB ASN 85 -4.545 -2.441 16.855 806 2HD2 ASN 85 1HD2 ASN 85 -8.014 -2.985 17.375 807 1HD2 ASN 85 2HD2 ASN 85 -7.873 -4.367 18.410 808 QB ASN 85 QB ASN 85 -5.323 -2.392 16.455 809 QD ASN 85 QD ASN 85 -7.943 -3.676 17.893 810 H GLY 86 H GLY 86 -4.683 1.260 18.126 811 1HA GLY 86 1HA GLY 86 -3.230 2.023 19.696 812 2HA GLY 86 2HA GLY 86 -3.333 0.495 20.548 813 QA GLY 86 QA GLY 86 -3.281 1.259 20.122 814 H LEU 87 H LEU 87 -2.742 0.015 17.187 815 HA LEU 87 HA LEU 87 -0.086 -0.892 17.765 816 1HB LEU 87 1HB LEU 87 -1.684 -0.823 15.202 817 2HB LEU 87 2HB LEU 87 -0.120 -1.590 15.394 818 HG LEU 87 HG LEU 87 -2.535 -2.377 17.037 819 1HD1 LEU 87 1HD1 LEU 87 -1.859 -3.026 14.235 820 2HD1 LEU 87 2HD1 LEU 87 -2.265 -4.416 15.270 821 3HD1 LEU 87 3HD1 LEU 87 -3.420 -3.073 15.089 822 1HD2 LEU 87 1HD2 LEU 87 -0.110 -2.936 17.736 823 2HD2 LEU 87 2HD2 LEU 87 -1.324 -4.238 17.724 824 3HD2 LEU 87 3HD2 LEU 87 -0.154 -4.100 16.390 825 MD1 LEU 87 MD1 LEU 87 -2.515 -3.505 14.865 826 MD2 LEU 87 MD2 LEU 87 -0.530 -3.758 17.284 827 QB LEU 87 QB LEU 87 -0.902 -1.207 15.298 828 QD LEU 87 QD LEU 87 -1.522 -3.631 16.074 829 H GLU 88 H GLU 88 1.735 -0.279 16.150 830 HA GLU 88 HA GLU 88 2.388 2.315 16.557 831 1HB GLU 88 1HB GLU 88 3.683 0.163 15.554 832 2HB GLU 88 2HB GLU 88 3.409 1.017 14.049 833 1HG GLU 88 1HG GLU 88 5.059 2.499 14.523 834 2HG GLU 88 2HG GLU 88 4.303 2.923 16.046 835 HE2 GLU 88 HE2 GLU 88 4.651 1.147 17.709 836 QB GLU 88 QB GLU 88 3.546 0.590 14.802 837 QG GLU 88 QG GLU 88 4.681 2.711 15.285 838 H VAL 89 H VAL 89 2.946 3.946 14.639 839 HA VAL 89 HA VAL 89 0.519 4.132 12.991 840 HB VAL 89 HB VAL 89 2.237 6.398 14.011 841 1HG1 VAL 89 1HG1 VAL 89 0.916 6.854 11.969 842 2HG1 VAL 89 2HG1 VAL 89 -0.565 6.382 12.837 843 3HG1 VAL 89 3HG1 VAL 89 0.358 7.810 13.363 844 1HG2 VAL 89 1HG2 VAL 89 1.198 5.159 15.894 845 2HG2 VAL 89 2HG2 VAL 89 0.552 6.808 15.714 846 3HG2 VAL 89 3HG2 VAL 89 -0.400 5.413 15.152 847 MG1 VAL 89 MG1 VAL 89 0.237 7.016 12.723 848 MG2 VAL 89 MG2 VAL 89 0.450 5.793 15.586 849 QG VAL 89 QG VAL 89 0.343 6.405 14.155 850 H SER 90 H SER 90 3.867 3.538 13.031 851 HA SER 90 HA SER 90 4.277 4.781 10.457 852 1HB SER 90 2HB SER 90 6.634 4.205 10.766 853 2HB SER 90 1HB SER 90 6.252 3.163 12.122 854 HG SER 90 HG SER 90 5.636 4.985 13.365 855 QB SER 90 QB SER 90 6.443 3.684 11.444 856 H LEU 91 H LEU 91 5.040 3.508 8.589 857 HA LEU 91 HA LEU 91 3.600 1.119 8.277 858 1HB LEU 91 1HB LEU 91 5.403 2.817 6.686 859 2HB LEU 91 2HB LEU 91 5.407 1.124 6.235 860 HG LEU 91 HG LEU 91 2.929 2.861 6.409 861 1HD1 LEU 91 1HD1 LEU 91 4.948 2.699 4.378 862 2HD1 LEU 91 2HD1 LEU 91 3.423 2.028 3.751 863 3HD1 LEU 91 3HD1 LEU 91 3.462 3.678 4.419 864 1HD2 LEU 91 1HD2 LEU 91 3.214 0.043 6.389 865 2HD2 LEU 91 2HD2 LEU 91 1.725 1.009 6.247 866 3HD2 LEU 91 3HD2 LEU 91 2.614 0.524 4.783 867 MD1 LEU 91 MD1 LEU 91 3.945 2.802 4.183 868 MD2 LEU 91 MD2 LEU 91 2.517 0.525 5.806 869 QB LEU 91 QB LEU 91 5.405 1.971 6.460 870 QD LEU 91 QD LEU 91 3.231 1.663 4.995 871 H SER 92 H SER 92 6.761 1.871 9.588 872 HA SER 92 HA SER 92 8.060 -0.488 9.042 873 1HB SER 92 1HB SER 92 8.255 1.563 11.256 874 2HB SER 92 2HB SER 92 9.224 0.106 11.351 875 HG SER 92 HG SER 92 10.589 1.245 10.138 876 QB SER 92 QB SER 92 8.740 0.835 11.303 877 H SER 93 H SER 93 5.325 0.183 11.092 878 HA SER 93 HA SER 93 5.677 -2.440 12.322 879 1HB SER 93 1HB SER 93 5.118 0.149 13.514 880 2HB SER 93 2HB SER 93 3.769 -0.927 13.817 881 HG SER 93 HG SER 93 6.548 -1.543 14.366 882 QB SER 93 QB SER 93 4.444 -0.389 13.665 883 H LEU 94 H LEU 94 4.516 -1.858 9.684 884 HA LEU 94 HA LEU 94 1.679 -2.375 10.233 885 1HB LEU 94 1HB LEU 94 3.120 -0.816 8.188 886 2HB LEU 94 2HB LEU 94 1.815 -1.812 7.574 887 HG LEU 94 HG LEU 94 1.089 0.478 8.059 888 1HD1 LEU 94 1HD1 LEU 94 -0.105 -1.827 9.561 889 2HD1 LEU 94 2HD1 LEU 94 -0.793 -0.196 9.747 890 3HD1 LEU 94 3HD1 LEU 94 -0.716 -0.952 8.137 891 1HD2 LEU 94 1HD2 LEU 94 2.455 -0.030 10.599 892 2HD2 LEU 94 2HD2 LEU 94 2.053 1.505 9.792 893 3HD2 LEU 94 3HD2 LEU 94 0.835 0.681 10.795 894 MD1 LEU 94 MD1 LEU 94 -0.538 -0.991 9.148 895 MD2 LEU 94 MD2 LEU 94 1.781 0.718 10.395 896 QB LEU 94 QB LEU 94 2.467 -1.314 7.881 897 QD LEU 94 QD LEU 94 0.621 -0.137 9.772 898 H SER 95 H SER 95 0.967 -3.540 7.792 899 HA SER 95 HA SER 95 0.908 -5.436 6.739 900 1HB SER 95 1HB SER 95 3.033 -5.124 5.757 901 2HB SER 95 2HB SER 95 3.879 -5.291 7.283 902 HG SER 95 HG SER 95 4.207 -7.205 6.113 903 QB SER 95 QB SER 95 3.456 -5.208 6.520 904 H LEU 96 H LEU 96 0.148 -5.368 9.493 905 HA LEU 96 HA LEU 96 0.903 -8.087 10.311 906 1HB LEU 96 2HB LEU 96 1.014 -7.477 12.530 907 2HB LEU 96 1HB LEU 96 0.071 -6.018 12.300 908 HG LEU 96 HG LEU 96 2.168 -5.268 10.864 909 1HD1 LEU 96 1HD1 LEU 96 1.824 -5.217 13.856 910 2HD1 LEU 96 2HD1 LEU 96 3.188 -4.398 13.059 911 3HD1 LEU 96 3HD1 LEU 96 1.516 -3.933 12.663 912 1HD2 LEU 96 1HD2 LEU 96 3.148 -7.618 12.410 913 2HD2 LEU 96 2HD2 LEU 96 3.657 -6.985 10.827 914 3HD2 LEU 96 3HD2 LEU 96 4.202 -6.187 12.321 915 MD1 LEU 96 MD1 LEU 96 2.176 -4.516 13.193 916 MD2 LEU 96 MD2 LEU 96 3.669 -6.930 11.853 917 QB LEU 96 QB LEU 96 0.543 -6.747 12.415 918 QD LEU 96 QD LEU 96 2.922 -5.723 12.523 919 H ALA 97 H ALA 97 -1.083 -8.058 12.485 920 HA ALA 97 HA ALA 97 -3.373 -8.678 10.837 921 1HB ALA 97 1HB ALA 97 -2.326 -10.013 12.853 922 2HB ALA 97 3HB ALA 97 -4.094 -9.940 12.661 923 3HB ALA 97 2HB ALA 97 -3.283 -8.886 13.844 924 MB ALA 97 MB ALA 97 -3.234 -9.613 13.120 925 H VAL 98 H VAL 98 -3.087 -6.062 10.449 926 HA VAL 98 HA VAL 98 -4.154 -4.396 12.437 927 HB VAL 98 HB VAL 98 -2.872 -3.401 10.764 928 1HG1 VAL 98 1HG1 VAL 98 -4.413 -5.162 8.928 929 2HG1 VAL 98 2HG1 VAL 98 -3.916 -3.579 8.283 930 3HG1 VAL 98 3HG1 VAL 98 -2.692 -4.708 8.912 931 1HG2 VAL 98 1HG2 VAL 98 -5.151 -2.294 11.395 932 2HG2 VAL 98 2HG2 VAL 98 -4.196 -1.630 10.047 933 3HG2 VAL 98 3HG2 VAL 98 -5.598 -2.674 9.714 934 MG1 VAL 98 MG1 VAL 98 -3.674 -4.483 8.708 935 MG2 VAL 98 MG2 VAL 98 -4.982 -2.199 10.385 936 QG VAL 98 QG VAL 98 -4.328 -3.341 9.546 937 HA PRO 99 HA PRO 99 -8.326 -5.574 12.078 938 1HB PRO 99 1HB PRO 99 -9.378 -3.806 13.877 939 2HB PRO 99 2HB PRO 99 -8.663 -5.337 14.344 940 1HG PRO 99 1HG PRO 99 -7.546 -2.613 14.607 941 2HG PRO 99 2HG PRO 99 -7.061 -4.082 15.430 942 1HD PRO 99 1HD PRO 99 -5.709 -2.815 13.240 943 2HD PRO 99 2HD PRO 99 -5.290 -4.344 13.987 944 QB PRO 99 QB PRO 99 -9.020 -4.572 14.110 945 QG PRO 99 QG PRO 99 -7.303 -3.347 15.019 946 QD PRO 99 QD PRO 99 -5.500 -3.579 13.613 947 HA PRO 100 HA PRO 100 -10.364 -2.876 9.508 948 1HB PRO 100 1HB PRO 100 -13.008 -3.032 10.179 949 2HB PRO 100 2HB PRO 100 -12.191 -4.246 9.215 950 1HG PRO 100 1HG PRO 100 -13.020 -4.381 12.049 951 2HG PRO 100 2HG PRO 100 -12.602 -5.692 10.964 952 1HD PRO 100 1HD PRO 100 -10.959 -4.595 13.044 953 2HD PRO 100 2HD PRO 100 -10.499 -5.825 11.884 954 QB PRO 100 QB PRO 100 -12.600 -3.639 9.697 955 QG PRO 100 QG PRO 100 -12.811 -5.036 11.506 956 QD PRO 100 QD PRO 100 -10.729 -5.210 12.464 957 HA PRO 101 HA PRO 101 -10.638 0.975 11.285 958 1HB PRO 101 1HB PRO 101 -11.302 2.485 9.106 959 2HB PRO 101 2HB PRO 101 -9.659 1.994 9.468 960 1HG PRO 101 2HG PRO 101 -9.757 0.775 7.512 961 2HG PRO 101 1HG PRO 101 -11.498 0.939 7.408 962 1HD PRO 101 1HD PRO 101 -11.710 -1.226 8.152 963 2HD PRO 101 2HD PRO 101 -9.974 -1.349 8.365 964 QB PRO 101 QB PRO 101 -10.481 2.239 9.287 965 QG PRO 101 QG PRO 101 -10.628 0.857 7.460 966 QD PRO 101 QD PRO 101 -10.842 -1.287 8.258 967 H ARG 102 H ARG 102 -12.263 3.127 10.757 968 HA ARG 102 HA ARG 102 -14.730 1.959 11.716 969 1HB ARG 102 1HB ARG 102 -13.262 4.055 12.704 970 2HB ARG 102 2HB ARG 102 -14.363 4.938 11.666 971 1HG ARG 102 1HG ARG 102 -16.313 3.958 12.795 972 2HG ARG 102 2HG ARG 102 -15.287 2.890 13.733 973 1HD ARG 102 1HD ARG 102 -14.167 4.987 14.709 974 2HD ARG 102 2HD ARG 102 -15.412 5.935 13.921 975 HE ARG 102 HE ARG 102 -15.741 4.251 16.292 976 1HH1 ARG 102 1HH1 ARG 102 -17.440 5.752 13.568 977 2HH1 ARG 102 2HH1 ARG 102 -18.980 5.739 14.361 978 2HH2 ARG 102 HH2 ARG 102 -19.152 4.843 16.577 979 QB ARG 102 QB ARG 102 -13.813 4.497 12.185 980 QG ARG 102 QG ARG 102 -15.800 3.424 13.264 981 QD ARG 102 QD ARG 102 -14.790 5.461 14.315 982 QH1 ARG 102 QH1 ARG 102 -18.210 5.745 13.964 983 H PHE 103 H PHE 103 -13.273 3.818 9.066 984 HA PHE 103 HA PHE 103 -15.250 5.149 7.898 985 1HB PHE 103 1HB PHE 103 -13.545 3.054 6.436 986 2HB PHE 103 2HB PHE 103 -14.084 4.591 5.789 987 HD1 PHE 103 HD1 PHE 103 -13.273 6.691 7.260 988 HD2 PHE 103 HD2 PHE 103 -11.350 2.911 7.112 989 HE1 PHE 103 HE1 PHE 103 -11.123 7.756 7.999 990 HE2 PHE 103 HE2 PHE 103 -9.200 3.976 7.850 991 HZ PHE 103 HZ PHE 103 -9.113 6.386 8.285 992 QB PHE 103 QB PHE 103 -13.814 3.823 6.113 993 QD PHE 103 QD PHE 103 -12.311 4.801 7.186 994 QE PHE 103 QE PHE 103 -10.162 5.866 7.924 995 QR PHE 103 QR PHE 103 -11.237 5.334 7.555 996 H HIS 104 H HIS 104 -16.736 4.630 6.035 997 HA HIS 104 HA HIS 104 -18.466 2.552 6.797 998 1HB HIS 104 1HB HIS 104 -18.364 4.676 4.746 999 2HB HIS 104 2HB HIS 104 -19.284 3.258 4.283 1000 HD1 HIS 104 HD1 HIS 104 -21.211 5.296 4.439 1001 HD2 HIS 104 HD2 HIS 104 -19.747 3.663 8.015 1002 HE1 HIS 104 HE1 HIS 104 -22.919 5.879 6.243 1003 QB HIS 104 QB HIS 104 -18.824 3.967 4.514 1004 H ASP 105 H ASP 105 -19.302 0.927 5.011 1005 HA ASP 105 HA ASP 105 -17.438 0.065 3.121 1006 1HB ASP 105 1HB ASP 105 -16.896 -0.819 5.758 1007 2HB ASP 105 2HB ASP 105 -17.693 -2.182 4.997 1008 HD2 ASP 105 HD2 ASP 105 -15.541 -2.923 2.740 1009 QB ASP 105 QB ASP 105 -17.294 -1.501 5.377 No H/Q in entry = 1009
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